data_31122 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31122 _Entry.Title ; Solution NMR structure of pro-IL-18 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-10-26 _Entry.Accession_date 2023-10-26 _Entry.Last_release_date 2023-11-20 _Entry.Original_release_date 2023-11-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 J. Bonin J. P. . . 31122 2 J. Aramini J. M. . . 31122 3 L. Kay L. E. . . 31122 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'IMMUNE SYSTEM' . 31122 Interleukin-18 . 31122 beta-trefoil . 31122 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31122 spectral_peak_list 3 31122 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 901 31122 '15N chemical shifts' 203 31122 '1H chemical shifts' 1380 31122 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2025-07-31 2023-10-26 update author 'add peaklists, etc.' 31122 2 . . 2024-08-12 2023-10-26 update BMRB 'update entry citation' 31122 1 . . 2024-05-21 2023-10-26 original author 'original release' 31122 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8URV 'BMRB Entry Tracking System' 31122 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31122 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38733997 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural transitions enable interleukin-18 maturation and signaling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Immunity _Citation.Journal_name_full Immunity _Citation.Journal_volume 57 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-4180 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1533 _Citation.Page_last 1548 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ying Dong Y. . . . 31122 1 2 Jeffrey Bonin J. P. . . 31122 1 3 Pascal Devant P. . . . 31122 1 4 Zhuoyi Liang Z. . . . 31122 1 5 Alexander Sever . . . . 31122 1 6 Julian Mintseris J. . . . 31122 1 7 James Aramini J. M. . . 31122 1 8 Gang Du G. . . . 31122 1 9 Stephen Gygi S. P. . . 31122 1 10 Jonathan Kagan J. C. . . 31122 1 11 Lewis Kay L. E. . . 31122 1 12 Hao Wu H. . . . 31122 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31122 _Assembly.ID 1 _Assembly.Name Interleukin-18 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31122 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31122 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAAEPVEDNCINFVAMKFID NTLYFIAEDDENLESDYFGK LESKLSVIRNLNDQVLFIDQ GNRPLFEDMTDSDCRDNAPR TIFIISMYKDSQPRGMAVTI SVKCEKISTLSCENKIISFK EMNPPDNIKDTKSDIIFFQR SVPGHDNKMQFESSSYEGYF LACEKERDLFKLILKKEDEL GDRSIMFTVQNED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 193 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22350.225 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 31122 1 2 . ALA . 31122 1 3 . ALA . 31122 1 4 . GLU . 31122 1 5 . PRO . 31122 1 6 . VAL . 31122 1 7 . GLU . 31122 1 8 . ASP . 31122 1 9 . ASN . 31122 1 10 . CYS . 31122 1 11 . ILE . 31122 1 12 . ASN . 31122 1 13 . PHE . 31122 1 14 . VAL . 31122 1 15 . ALA . 31122 1 16 . MET . 31122 1 17 . LYS . 31122 1 18 . PHE . 31122 1 19 . ILE . 31122 1 20 . ASP . 31122 1 21 . ASN . 31122 1 22 . THR . 31122 1 23 . LEU . 31122 1 24 . TYR . 31122 1 25 . PHE . 31122 1 26 . ILE . 31122 1 27 . ALA . 31122 1 28 . GLU . 31122 1 29 . ASP . 31122 1 30 . ASP . 31122 1 31 . GLU . 31122 1 32 . ASN . 31122 1 33 . LEU . 31122 1 34 . GLU . 31122 1 35 . SER . 31122 1 36 . ASP . 31122 1 37 . TYR . 31122 1 38 . PHE . 31122 1 39 . GLY . 31122 1 40 . LYS . 31122 1 41 . LEU . 31122 1 42 . GLU . 31122 1 43 . SER . 31122 1 44 . LYS . 31122 1 45 . LEU . 31122 1 46 . SER . 31122 1 47 . VAL . 31122 1 48 . ILE . 31122 1 49 . ARG . 31122 1 50 . ASN . 31122 1 51 . LEU . 31122 1 52 . ASN . 31122 1 53 . ASP . 31122 1 54 . GLN . 31122 1 55 . VAL . 31122 1 56 . LEU . 31122 1 57 . PHE . 31122 1 58 . ILE . 31122 1 59 . ASP . 31122 1 60 . GLN . 31122 1 61 . GLY . 31122 1 62 . ASN . 31122 1 63 . ARG . 31122 1 64 . PRO . 31122 1 65 . LEU . 31122 1 66 . PHE . 31122 1 67 . GLU . 31122 1 68 . ASP . 31122 1 69 . MET . 31122 1 70 . THR . 31122 1 71 . ASP . 31122 1 72 . SER . 31122 1 73 . ASP . 31122 1 74 . CYS . 31122 1 75 . ARG . 31122 1 76 . ASP . 31122 1 77 . ASN . 31122 1 78 . ALA . 31122 1 79 . PRO . 31122 1 80 . ARG . 31122 1 81 . THR . 31122 1 82 . ILE . 31122 1 83 . PHE . 31122 1 84 . ILE . 31122 1 85 . ILE . 31122 1 86 . SER . 31122 1 87 . MET . 31122 1 88 . TYR . 31122 1 89 . LYS . 31122 1 90 . ASP . 31122 1 91 . SER . 31122 1 92 . GLN . 31122 1 93 . PRO . 31122 1 94 . ARG . 31122 1 95 . GLY . 31122 1 96 . MET . 31122 1 97 . ALA . 31122 1 98 . VAL . 31122 1 99 . THR . 31122 1 100 . ILE . 31122 1 101 . SER . 31122 1 102 . VAL . 31122 1 103 . LYS . 31122 1 104 . CYS . 31122 1 105 . GLU . 31122 1 106 . LYS . 31122 1 107 . ILE . 31122 1 108 . SER . 31122 1 109 . THR . 31122 1 110 . LEU . 31122 1 111 . SER . 31122 1 112 . CYS . 31122 1 113 . GLU . 31122 1 114 . ASN . 31122 1 115 . LYS . 31122 1 116 . ILE . 31122 1 117 . ILE . 31122 1 118 . SER . 31122 1 119 . PHE . 31122 1 120 . LYS . 31122 1 121 . GLU . 31122 1 122 . MET . 31122 1 123 . ASN . 31122 1 124 . PRO . 31122 1 125 . PRO . 31122 1 126 . ASP . 31122 1 127 . ASN . 31122 1 128 . ILE . 31122 1 129 . LYS . 31122 1 130 . ASP . 31122 1 131 . THR . 31122 1 132 . LYS . 31122 1 133 . SER . 31122 1 134 . ASP . 31122 1 135 . ILE . 31122 1 136 . ILE . 31122 1 137 . PHE . 31122 1 138 . PHE . 31122 1 139 . GLN . 31122 1 140 . ARG . 31122 1 141 . SER . 31122 1 142 . VAL . 31122 1 143 . PRO . 31122 1 144 . GLY . 31122 1 145 . HIS . 31122 1 146 . ASP . 31122 1 147 . ASN . 31122 1 148 . LYS . 31122 1 149 . MET . 31122 1 150 . GLN . 31122 1 151 . PHE . 31122 1 152 . GLU . 31122 1 153 . SER . 31122 1 154 . SER . 31122 1 155 . SER . 31122 1 156 . TYR . 31122 1 157 . GLU . 31122 1 158 . GLY . 31122 1 159 . TYR . 31122 1 160 . PHE . 31122 1 161 . LEU . 31122 1 162 . ALA . 31122 1 163 . CYS . 31122 1 164 . GLU . 31122 1 165 . LYS . 31122 1 166 . GLU . 31122 1 167 . ARG . 31122 1 168 . ASP . 31122 1 169 . LEU . 31122 1 170 . PHE . 31122 1 171 . LYS . 31122 1 172 . LEU . 31122 1 173 . ILE . 31122 1 174 . LEU . 31122 1 175 . LYS . 31122 1 176 . LYS . 31122 1 177 . GLU . 31122 1 178 . ASP . 31122 1 179 . GLU . 31122 1 180 . LEU . 31122 1 181 . GLY . 31122 1 182 . ASP . 31122 1 183 . ARG . 31122 1 184 . SER . 31122 1 185 . ILE . 31122 1 186 . MET . 31122 1 187 . PHE . 31122 1 188 . THR . 31122 1 189 . VAL . 31122 1 190 . GLN . 31122 1 191 . ASN . 31122 1 192 . GLU . 31122 1 193 . ASP . 31122 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 31122 1 . ALA 2 2 31122 1 . ALA 3 3 31122 1 . GLU 4 4 31122 1 . PRO 5 5 31122 1 . VAL 6 6 31122 1 . GLU 7 7 31122 1 . ASP 8 8 31122 1 . ASN 9 9 31122 1 . CYS 10 10 31122 1 . ILE 11 11 31122 1 . ASN 12 12 31122 1 . PHE 13 13 31122 1 . VAL 14 14 31122 1 . ALA 15 15 31122 1 . MET 16 16 31122 1 . LYS 17 17 31122 1 . PHE 18 18 31122 1 . ILE 19 19 31122 1 . ASP 20 20 31122 1 . ASN 21 21 31122 1 . THR 22 22 31122 1 . LEU 23 23 31122 1 . TYR 24 24 31122 1 . PHE 25 25 31122 1 . ILE 26 26 31122 1 . ALA 27 27 31122 1 . GLU 28 28 31122 1 . ASP 29 29 31122 1 . ASP 30 30 31122 1 . GLU 31 31 31122 1 . ASN 32 32 31122 1 . LEU 33 33 31122 1 . GLU 34 34 31122 1 . SER 35 35 31122 1 . ASP 36 36 31122 1 . TYR 37 37 31122 1 . PHE 38 38 31122 1 . GLY 39 39 31122 1 . LYS 40 40 31122 1 . LEU 41 41 31122 1 . GLU 42 42 31122 1 . SER 43 43 31122 1 . LYS 44 44 31122 1 . LEU 45 45 31122 1 . SER 46 46 31122 1 . VAL 47 47 31122 1 . ILE 48 48 31122 1 . ARG 49 49 31122 1 . ASN 50 50 31122 1 . LEU 51 51 31122 1 . ASN 52 52 31122 1 . ASP 53 53 31122 1 . GLN 54 54 31122 1 . VAL 55 55 31122 1 . LEU 56 56 31122 1 . PHE 57 57 31122 1 . ILE 58 58 31122 1 . ASP 59 59 31122 1 . GLN 60 60 31122 1 . GLY 61 61 31122 1 . ASN 62 62 31122 1 . ARG 63 63 31122 1 . PRO 64 64 31122 1 . LEU 65 65 31122 1 . PHE 66 66 31122 1 . GLU 67 67 31122 1 . ASP 68 68 31122 1 . MET 69 69 31122 1 . THR 70 70 31122 1 . ASP 71 71 31122 1 . SER 72 72 31122 1 . ASP 73 73 31122 1 . CYS 74 74 31122 1 . ARG 75 75 31122 1 . ASP 76 76 31122 1 . ASN 77 77 31122 1 . ALA 78 78 31122 1 . PRO 79 79 31122 1 . ARG 80 80 31122 1 . THR 81 81 31122 1 . ILE 82 82 31122 1 . PHE 83 83 31122 1 . ILE 84 84 31122 1 . ILE 85 85 31122 1 . SER 86 86 31122 1 . MET 87 87 31122 1 . TYR 88 88 31122 1 . LYS 89 89 31122 1 . ASP 90 90 31122 1 . SER 91 91 31122 1 . GLN 92 92 31122 1 . PRO 93 93 31122 1 . ARG 94 94 31122 1 . GLY 95 95 31122 1 . MET 96 96 31122 1 . ALA 97 97 31122 1 . VAL 98 98 31122 1 . THR 99 99 31122 1 . ILE 100 100 31122 1 . SER 101 101 31122 1 . VAL 102 102 31122 1 . LYS 103 103 31122 1 . CYS 104 104 31122 1 . GLU 105 105 31122 1 . LYS 106 106 31122 1 . ILE 107 107 31122 1 . SER 108 108 31122 1 . THR 109 109 31122 1 . LEU 110 110 31122 1 . SER 111 111 31122 1 . CYS 112 112 31122 1 . GLU 113 113 31122 1 . ASN 114 114 31122 1 . LYS 115 115 31122 1 . ILE 116 116 31122 1 . ILE 117 117 31122 1 . SER 118 118 31122 1 . PHE 119 119 31122 1 . LYS 120 120 31122 1 . GLU 121 121 31122 1 . MET 122 122 31122 1 . ASN 123 123 31122 1 . PRO 124 124 31122 1 . PRO 125 125 31122 1 . ASP 126 126 31122 1 . ASN 127 127 31122 1 . ILE 128 128 31122 1 . LYS 129 129 31122 1 . ASP 130 130 31122 1 . THR 131 131 31122 1 . LYS 132 132 31122 1 . SER 133 133 31122 1 . ASP 134 134 31122 1 . ILE 135 135 31122 1 . ILE 136 136 31122 1 . PHE 137 137 31122 1 . PHE 138 138 31122 1 . GLN 139 139 31122 1 . ARG 140 140 31122 1 . SER 141 141 31122 1 . VAL 142 142 31122 1 . PRO 143 143 31122 1 . GLY 144 144 31122 1 . HIS 145 145 31122 1 . ASP 146 146 31122 1 . ASN 147 147 31122 1 . LYS 148 148 31122 1 . MET 149 149 31122 1 . GLN 150 150 31122 1 . PHE 151 151 31122 1 . GLU 152 152 31122 1 . SER 153 153 31122 1 . SER 154 154 31122 1 . SER 155 155 31122 1 . TYR 156 156 31122 1 . GLU 157 157 31122 1 . GLY 158 158 31122 1 . TYR 159 159 31122 1 . PHE 160 160 31122 1 . LEU 161 161 31122 1 . ALA 162 162 31122 1 . CYS 163 163 31122 1 . GLU 164 164 31122 1 . LYS 165 165 31122 1 . GLU 166 166 31122 1 . ARG 167 167 31122 1 . ASP 168 168 31122 1 . LEU 169 169 31122 1 . PHE 170 170 31122 1 . LYS 171 171 31122 1 . LEU 172 172 31122 1 . ILE 173 173 31122 1 . LEU 174 174 31122 1 . LYS 175 175 31122 1 . LYS 176 176 31122 1 . GLU 177 177 31122 1 . ASP 178 178 31122 1 . GLU 179 179 31122 1 . LEU 180 180 31122 1 . GLY 181 181 31122 1 . ASP 182 182 31122 1 . ARG 183 183 31122 1 . SER 184 184 31122 1 . ILE 185 185 31122 1 . MET 186 186 31122 1 . PHE 187 187 31122 1 . THR 188 188 31122 1 . VAL 189 189 31122 1 . GLN 190 190 31122 1 . ASN 191 191 31122 1 . GLU 192 192 31122 1 . ASP 193 193 31122 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 31122 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . IL18 . 31122 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 31122 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 31122 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31122 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] pro-interleukin-18, 20 mM MES, 50 mM potassium chloride, 10 mM DTT, 97% H2O/3% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '97% H2O/3% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 pro-interleukin-18 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 31122 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 31122 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 31122 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 31122 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31122 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] pro-interleukin-18, 20 mM MES, 50 mM potassium chloride, 10 mM DTT, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 pro-interleukin-18 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 31122 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 31122 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 31122 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 31122 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 31122 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [5% U-13C; U-15N] pro-interleukin-18, 20 mM MES, 50 mM potassium chloride, 10 mM DTT, 97% H2O/3% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '97% H2O/3% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 pro-interleukin-18 '[5% U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 31122 3 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 31122 3 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 31122 3 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 31122 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 31122 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 31122 1 pH 6.5 . pH 31122 1 pressure 1 . atm 31122 1 temperature 298.1 . K 31122 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 31122 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 31122 2 pH 6.1 . pD 31122 2 pressure 1 . atm 31122 2 temperature 298.1 . K 31122 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31122 _Software.ID 1 _Software.Type . _Software.Name I-PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Bahrami, Dashti, Eghbalnia, Tonelli, Westler and Markley' . . 31122 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31122 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31122 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98.15 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 31122 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31122 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31122 _Software.ID 3 _Software.Type . _Software.Name Rosetta _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Leaver-Fay et al.' . . 31122 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31122 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31122 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Tonelli and Markley' . . 31122 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 31122 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31122 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details '5 mM TCI-XYZ' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31122 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details '5 mM TCI-XYZ' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 31122 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details '5 mM TCI-XYZ' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1000 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31122 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 800 . . . 31122 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 600 . . . 31122 1 3 NMR_spectrometer_3 Bruker 'AVANCE NEO' . 1000 . . . 31122 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 31122 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HCH NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31122 1 2 '3D HNH NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31122 1 3 '3D NNH NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31122 1 4 '2D NH HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31122 1 5 '2D CH HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31122 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31122 1 7 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31122 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31122 1 9 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31122 1 10 '3D HNN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31122 1 11 '3D C(CO)NH TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31122 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31122 1 13 '3D H(CCO)NH TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31122 1 14 '3D C(CA)NH TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31122 1 15 '2D CB(CGCD)HD' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31122 1 16 '2D CB(CGCDCE)HE' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31122 1 17 '2D CBCG(CE)HE' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31122 1 18 '2D CH CT-HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31122 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '3D HCH NOESY' ProIL18_GHz_3DNOESYs.tar . 'Time-domain (raw spectral data)' . . 31122 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 31122 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm -0.085 external indirect 0.251449530 . . . . . 31122 1 H 1 DSS 'methyl protons' . . . . ppm -0.085 external direct 1.0 . . . . . 31122 1 N 15 DSS 'methyl protons' . . . . ppm -0.085 external indirect 0.101329118 . . . . . 31122 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31122 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.015 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HCH NOESY' . . . 31122 1 2 '3D HNH NOESY' . . . 31122 1 3 '3D NNH NOESY' . . . 31122 1 4 '2D NH HSQC' . . . 31122 1 5 '2D CH HSQC' . . . 31122 1 6 '3D HNCO' . . . 31122 1 7 '3D HN(CA)CO' . . . 31122 1 8 '3D CBCA(CO)NH' . . . 31122 1 9 '3D HNCACB' . . . 31122 1 10 '3D HNN' . . . 31122 1 11 '3D C(CO)NH TOCSY' . . . 31122 1 12 '3D HBHA(CO)NH' . . . 31122 1 13 '3D H(CCO)NH TOCSY' . . . 31122 1 14 '3D C(CA)NH TOCSY' . . . 31122 1 15 '2D CB(CGCD)HD' . . . 31122 1 16 '2D CB(CGCDCE)HE' . . . 31122 1 17 '2D CBCG(CE)HE' . . . 31122 1 18 '2D CH CT-HSQC' . . . 31122 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 3.987 0.00 . 1 . . . . A 1 MET HA . 31122 1 2 . 1 . 1 1 1 MET HB2 H 1 2.076 0.00 . 2 . . . . A 1 MET HB2 . 31122 1 3 . 1 . 1 1 1 MET HB3 H 1 2.062 0.00 . 2 . . . . A 1 MET HB3 . 31122 1 4 . 1 . 1 1 1 MET HG2 H 1 2.526 0.00 . 2 . . . . A 1 MET HG2 . 31122 1 5 . 1 . 1 1 1 MET HG3 H 1 2.526 0.00 . 2 . . . . A 1 MET HG3 . 31122 1 6 . 1 . 1 1 1 MET HE1 H 1 2.023 0.00 . 1 . . . . A 1 MET HE1 . 31122 1 7 . 1 . 1 1 1 MET HE2 H 1 2.023 0.00 . 1 . . . . A 1 MET HE2 . 31122 1 8 . 1 . 1 1 1 MET HE3 H 1 2.023 0.00 . 1 . . . . A 1 MET HE3 . 31122 1 9 . 1 . 1 1 1 MET C C 13 172.465 0.02 . 1 . . . . A 1 MET C . 31122 1 10 . 1 . 1 1 1 MET CA C 13 55.036 0.00 . 1 . . . . A 1 MET CA . 31122 1 11 . 1 . 1 1 1 MET CB C 13 32.995 0.01 . 1 . . . . A 1 MET CB . 31122 1 12 . 1 . 1 1 1 MET CG C 13 30.835 0.00 . 1 . . . . A 1 MET CG . 31122 1 13 . 1 . 1 1 1 MET CE C 13 16.747 0.00 . 1 . . . . A 1 MET CE . 31122 1 14 . 1 . 1 2 2 ALA H H 1 8.630 0.01 . 1 . . . . A 2 ALA H . 31122 1 15 . 1 . 1 2 2 ALA HA H 1 4.260 0.00 . 1 . . . . A 2 ALA HA . 31122 1 16 . 1 . 1 2 2 ALA HB1 H 1 1.308 0.00 . 1 . . . . A 2 ALA HB1 . 31122 1 17 . 1 . 1 2 2 ALA HB2 H 1 1.308 0.00 . 1 . . . . A 2 ALA HB2 . 31122 1 18 . 1 . 1 2 2 ALA HB3 H 1 1.308 0.00 . 1 . . . . A 2 ALA HB3 . 31122 1 19 . 1 . 1 2 2 ALA C C 13 176.735 0.00 . 1 . . . . A 2 ALA C . 31122 1 20 . 1 . 1 2 2 ALA CA C 13 52.399 0.00 . 1 . . . . A 2 ALA CA . 31122 1 21 . 1 . 1 2 2 ALA CB C 13 19.250 0.00 . 1 . . . . A 2 ALA CB . 31122 1 22 . 1 . 1 2 2 ALA N N 15 127.112 0.04 . 1 . . . . A 2 ALA N . 31122 1 23 . 1 . 1 3 3 ALA H H 1 8.295 0.00 . 1 . . . . A 3 ALA H . 31122 1 24 . 1 . 1 3 3 ALA HA H 1 4.213 0.00 . 1 . . . . A 3 ALA HA . 31122 1 25 . 1 . 1 3 3 ALA HB1 H 1 1.274 0.00 . 1 . . . . A 3 ALA HB1 . 31122 1 26 . 1 . 1 3 3 ALA HB2 H 1 1.274 0.00 . 1 . . . . A 3 ALA HB2 . 31122 1 27 . 1 . 1 3 3 ALA HB3 H 1 1.274 0.00 . 1 . . . . A 3 ALA HB3 . 31122 1 28 . 1 . 1 3 3 ALA C C 13 177.234 0.00 . 1 . . . . A 3 ALA C . 31122 1 29 . 1 . 1 3 3 ALA CA C 13 52.154 0.00 . 1 . . . . A 3 ALA CA . 31122 1 30 . 1 . 1 3 3 ALA CB C 13 19.283 0.00 . 1 . . . . A 3 ALA CB . 31122 1 31 . 1 . 1 3 3 ALA N N 15 123.779 0.00 . 1 . . . . A 3 ALA N . 31122 1 32 . 1 . 1 4 4 GLU H H 1 8.175 0.00 . 1 . . . . A 4 GLU H . 31122 1 33 . 1 . 1 4 4 GLU HA H 1 4.470 0.00 . 1 . . . . A 4 GLU HA . 31122 1 34 . 1 . 1 4 4 GLU HB2 H 1 1.930 0.00 . 2 . . . . A 4 GLU HB2 . 31122 1 35 . 1 . 1 4 4 GLU HB3 H 1 1.768 0.00 . 2 . . . . A 4 GLU HB3 . 31122 1 36 . 1 . 1 4 4 GLU HG2 H 1 2.197 0.00 . 2 . . . . A 4 GLU HG2 . 31122 1 37 . 1 . 1 4 4 GLU HG3 H 1 2.197 0.00 . 2 . . . . A 4 GLU HG3 . 31122 1 38 . 1 . 1 4 4 GLU C C 13 174.476 0.00 . 1 . . . . A 4 GLU C . 31122 1 39 . 1 . 1 4 4 GLU CA C 13 54.194 0.00 . 1 . . . . A 4 GLU CA . 31122 1 40 . 1 . 1 4 4 GLU CB C 13 29.580 0.00 . 1 . . . . A 4 GLU CB . 31122 1 41 . 1 . 1 4 4 GLU CG C 13 35.813 0.00 . 1 . . . . A 4 GLU CG . 31122 1 42 . 1 . 1 4 4 GLU N N 15 121.155 0.00 . 1 . . . . A 4 GLU N . 31122 1 43 . 1 . 1 5 5 PRO HA H 1 4.318 0.00 . 1 . . . . A 5 PRO HA . 31122 1 44 . 1 . 1 5 5 PRO HB2 H 1 2.147 0.00 . 2 . . . . A 5 PRO HB2 . 31122 1 45 . 1 . 1 5 5 PRO HB3 H 1 1.782 0.00 . 2 . . . . A 5 PRO HB3 . 31122 1 46 . 1 . 1 5 5 PRO HG2 H 1 1.930 0.00 . 2 . . . . A 5 PRO HG2 . 31122 1 47 . 1 . 1 5 5 PRO HG3 H 1 1.881 0.00 . 2 . . . . A 5 PRO HG3 . 31122 1 48 . 1 . 1 5 5 PRO HD2 H 1 3.689 0.00 . 2 . . . . A 5 PRO HD2 . 31122 1 49 . 1 . 1 5 5 PRO HD3 H 1 3.580 0.00 . 2 . . . . A 5 PRO HD3 . 31122 1 50 . 1 . 1 5 5 PRO C C 13 176.690 0.01 . 1 . . . . A 5 PRO C . 31122 1 51 . 1 . 1 5 5 PRO CA C 13 63.038 0.00 . 1 . . . . A 5 PRO CA . 31122 1 52 . 1 . 1 5 5 PRO CB C 13 31.996 0.03 . 1 . . . . A 5 PRO CB . 31122 1 53 . 1 . 1 5 5 PRO CG C 13 27.396 0.00 . 1 . . . . A 5 PRO CG . 31122 1 54 . 1 . 1 5 5 PRO CD C 13 50.534 0.01 . 1 . . . . A 5 PRO CD . 31122 1 55 . 1 . 1 6 6 VAL H H 1 8.121 0.00 . 1 . . . . A 6 VAL H . 31122 1 56 . 1 . 1 6 6 VAL HA H 1 4.001 0.00 . 1 . . . . A 6 VAL HA . 31122 1 57 . 1 . 1 6 6 VAL HB H 1 1.936 0.00 . 1 . . . . A 6 VAL HB . 31122 1 58 . 1 . 1 6 6 VAL HG11 H 1 0.817 0.00 . 1 . . . . A 6 VAL HG11 . 31122 1 59 . 1 . 1 6 6 VAL HG12 H 1 0.817 0.00 . 1 . . . . A 6 VAL HG12 . 31122 1 60 . 1 . 1 6 6 VAL HG13 H 1 0.817 0.00 . 1 . . . . A 6 VAL HG13 . 31122 1 61 . 1 . 1 6 6 VAL HG21 H 1 0.828 0.00 . 1 . . . . A 6 VAL HG21 . 31122 1 62 . 1 . 1 6 6 VAL HG22 H 1 0.828 0.00 . 1 . . . . A 6 VAL HG22 . 31122 1 63 . 1 . 1 6 6 VAL HG23 H 1 0.828 0.00 . 1 . . . . A 6 VAL HG23 . 31122 1 64 . 1 . 1 6 6 VAL C C 13 176.140 0.01 . 1 . . . . A 6 VAL C . 31122 1 65 . 1 . 1 6 6 VAL CA C 13 62.021 0.00 . 1 . . . . A 6 VAL CA . 31122 1 66 . 1 . 1 6 6 VAL CB C 13 32.875 0.00 . 1 . . . . A 6 VAL CB . 31122 1 67 . 1 . 1 6 6 VAL CG1 C 13 21.209 0.00 . 1 . . . . A 6 VAL CG1 . 31122 1 68 . 1 . 1 6 6 VAL CG2 C 13 20.457 0.00 . 1 . . . . A 6 VAL CG2 . 31122 1 69 . 1 . 1 6 6 VAL N N 15 120.424 0.00 . 1 . . . . A 6 VAL N . 31122 1 70 . 1 . 1 7 7 GLU H H 1 8.410 0.00 . 1 . . . . A 7 GLU H . 31122 1 71 . 1 . 1 7 7 GLU HA H 1 4.225 0.00 . 1 . . . . A 7 GLU HA . 31122 1 72 . 1 . 1 7 7 GLU HB2 H 1 1.925 0.00 . 2 . . . . A 7 GLU HB2 . 31122 1 73 . 1 . 1 7 7 GLU HB3 H 1 1.808 0.00 . 2 . . . . A 7 GLU HB3 . 31122 1 74 . 1 . 1 7 7 GLU HG2 H 1 2.140 0.00 . 2 . . . . A 7 GLU HG2 . 31122 1 75 . 1 . 1 7 7 GLU HG3 H 1 2.140 0.00 . 2 . . . . A 7 GLU HG3 . 31122 1 76 . 1 . 1 7 7 GLU C C 13 175.893 0.01 . 1 . . . . A 7 GLU C . 31122 1 77 . 1 . 1 7 7 GLU CA C 13 56.148 0.00 . 1 . . . . A 7 GLU CA . 31122 1 78 . 1 . 1 7 7 GLU CB C 13 30.307 0.00 . 1 . . . . A 7 GLU CB . 31122 1 79 . 1 . 1 7 7 GLU CG C 13 36.108 0.00 . 1 . . . . A 7 GLU CG . 31122 1 80 . 1 . 1 7 7 GLU N N 15 124.684 0.00 . 1 . . . . A 7 GLU N . 31122 1 81 . 1 . 1 8 8 ASP H H 1 8.283 0.00 . 1 . . . . A 8 ASP H . 31122 1 82 . 1 . 1 8 8 ASP HA H 1 4.500 0.00 . 1 . . . . A 8 ASP HA . 31122 1 83 . 1 . 1 8 8 ASP HB2 H 1 2.564 0.00 . 2 . . . . A 8 ASP HB2 . 31122 1 84 . 1 . 1 8 8 ASP HB3 H 1 2.513 0.00 . 2 . . . . A 8 ASP HB3 . 31122 1 85 . 1 . 1 8 8 ASP C C 13 175.738 0.01 . 1 . . . . A 8 ASP C . 31122 1 86 . 1 . 1 8 8 ASP CA C 13 54.073 0.00 . 1 . . . . A 8 ASP CA . 31122 1 87 . 1 . 1 8 8 ASP CB C 13 41.190 0.02 . 1 . . . . A 8 ASP CB . 31122 1 88 . 1 . 1 8 8 ASP N N 15 122.079 0.01 . 1 . . . . A 8 ASP N . 31122 1 89 . 1 . 1 9 9 ASN H H 1 8.374 0.00 . 1 . . . . A 9 ASN H . 31122 1 90 . 1 . 1 9 9 ASN HA H 1 4.556 0.00 . 1 . . . . A 9 ASN HA . 31122 1 91 . 1 . 1 9 9 ASN HB2 H 1 2.771 0.00 . 2 . . . . A 9 ASN HB2 . 31122 1 92 . 1 . 1 9 9 ASN HB3 H 1 2.726 0.00 . 2 . . . . A 9 ASN HB3 . 31122 1 93 . 1 . 1 9 9 ASN HD21 H 1 7.444 0.00 . 1 . . . . A 9 ASN HD21 . 31122 1 94 . 1 . 1 9 9 ASN HD22 H 1 6.790 0.00 . 1 . . . . A 9 ASN HD22 . 31122 1 95 . 1 . 1 9 9 ASN C C 13 174.165 0.00 . 1 . . . . A 9 ASN C . 31122 1 96 . 1 . 1 9 9 ASN CA C 13 53.087 0.00 . 1 . . . . A 9 ASN CA . 31122 1 97 . 1 . 1 9 9 ASN CB C 13 38.404 0.00 . 1 . . . . A 9 ASN CB . 31122 1 98 . 1 . 1 9 9 ASN CG C 13 177.184 0.01 . 1 . . . . A 9 ASN CG . 31122 1 99 . 1 . 1 9 9 ASN N N 15 118.758 0.01 . 1 . . . . A 9 ASN N . 31122 1 100 . 1 . 1 9 9 ASN ND2 N 15 112.175 0.01 . 1 . . . . A 9 ASN ND2 . 31122 1 101 . 1 . 1 10 10 CYS H H 1 7.804 0.00 . 1 . . . . A 10 CYS H . 31122 1 102 . 1 . 1 10 10 CYS HA H 1 4.696 0.00 . 1 . . . . A 10 CYS HA . 31122 1 103 . 1 . 1 10 10 CYS HB2 H 1 2.359 0.00 . 2 . . . . A 10 CYS HB2 . 31122 1 104 . 1 . 1 10 10 CYS HB3 H 1 2.359 0.00 . 2 . . . . A 10 CYS HB3 . 31122 1 105 . 1 . 1 10 10 CYS C C 13 173.857 0.01 . 1 . . . . A 10 CYS C . 31122 1 106 . 1 . 1 10 10 CYS CA C 13 57.162 0.00 . 1 . . . . A 10 CYS CA . 31122 1 107 . 1 . 1 10 10 CYS CB C 13 29.244 0.00 . 1 . . . . A 10 CYS CB . 31122 1 108 . 1 . 1 10 10 CYS N N 15 118.078 0.00 . 1 . . . . A 10 CYS N . 31122 1 109 . 1 . 1 11 11 ILE H H 1 8.343 0.00 . 1 . . . . A 11 ILE H . 31122 1 110 . 1 . 1 11 11 ILE HA H 1 3.807 0.00 . 1 . . . . A 11 ILE HA . 31122 1 111 . 1 . 1 11 11 ILE HB H 1 0.914 0.00 . 1 . . . . A 11 ILE HB . 31122 1 112 . 1 . 1 11 11 ILE HG12 H 1 1.225 0.00 . 2 . . . . A 11 ILE HG12 . 31122 1 113 . 1 . 1 11 11 ILE HG13 H 1 0.830 0.00 . 2 . . . . A 11 ILE HG13 . 31122 1 114 . 1 . 1 11 11 ILE HG21 H 1 0.180 0.00 . 1 . . . . A 11 ILE HG21 . 31122 1 115 . 1 . 1 11 11 ILE HG22 H 1 0.180 0.00 . 1 . . . . A 11 ILE HG22 . 31122 1 116 . 1 . 1 11 11 ILE HG23 H 1 0.180 0.00 . 1 . . . . A 11 ILE HG23 . 31122 1 117 . 1 . 1 11 11 ILE HD11 H 1 0.576 0.00 . 1 . . . . A 11 ILE HD11 . 31122 1 118 . 1 . 1 11 11 ILE HD12 H 1 0.576 0.00 . 1 . . . . A 11 ILE HD12 . 31122 1 119 . 1 . 1 11 11 ILE HD13 H 1 0.576 0.00 . 1 . . . . A 11 ILE HD13 . 31122 1 120 . 1 . 1 11 11 ILE C C 13 173.945 0.01 . 1 . . . . A 11 ILE C . 31122 1 121 . 1 . 1 11 11 ILE CA C 13 60.917 0.00 . 1 . . . . A 11 ILE CA . 31122 1 122 . 1 . 1 11 11 ILE CB C 13 38.538 0.00 . 1 . . . . A 11 ILE CB . 31122 1 123 . 1 . 1 11 11 ILE CG1 C 13 27.523 0.02 . 1 . . . . A 11 ILE CG1 . 31122 1 124 . 1 . 1 11 11 ILE CG2 C 13 17.078 0.00 . 1 . . . . A 11 ILE CG2 . 31122 1 125 . 1 . 1 11 11 ILE CD1 C 13 13.517 0.00 . 1 . . . . A 11 ILE CD1 . 31122 1 126 . 1 . 1 11 11 ILE N N 15 125.267 0.00 . 1 . . . . A 11 ILE N . 31122 1 127 . 1 . 1 12 12 ASN H H 1 8.704 0.00 . 1 . . . . A 12 ASN H . 31122 1 128 . 1 . 1 12 12 ASN HA H 1 4.749 0.00 . 1 . . . . A 12 ASN HA . 31122 1 129 . 1 . 1 12 12 ASN HB2 H 1 2.601 0.00 . 2 . . . . A 12 ASN HB2 . 31122 1 130 . 1 . 1 12 12 ASN HB3 H 1 2.076 0.00 . 2 . . . . A 12 ASN HB3 . 31122 1 131 . 1 . 1 12 12 ASN HD21 H 1 7.441 0.00 . 2 . . . . A 12 ASN HD21 . 31122 1 132 . 1 . 1 12 12 ASN HD22 H 1 6.688 0.00 . 2 . . . . A 12 ASN HD22 . 31122 1 133 . 1 . 1 12 12 ASN C C 13 174.430 0.00 . 1 . . . . A 12 ASN C . 31122 1 134 . 1 . 1 12 12 ASN CA C 13 52.172 0.00 . 1 . . . . A 12 ASN CA . 31122 1 135 . 1 . 1 12 12 ASN CB C 13 40.312 0.02 . 1 . . . . A 12 ASN CB . 31122 1 136 . 1 . 1 12 12 ASN CG C 13 175.536 0.01 . 1 . . . . A 12 ASN CG . 31122 1 137 . 1 . 1 12 12 ASN N N 15 125.787 0.01 . 1 . . . . A 12 ASN N . 31122 1 138 . 1 . 1 12 12 ASN ND2 N 15 114.172 0.00 . 1 . . . . A 12 ASN ND2 . 31122 1 139 . 1 . 1 13 13 PHE H H 1 9.001 0.00 . 1 . . . . A 13 PHE H . 31122 1 140 . 1 . 1 13 13 PHE HA H 1 5.549 0.00 . 1 . . . . A 13 PHE HA . 31122 1 141 . 1 . 1 13 13 PHE HB2 H 1 3.106 0.00 . 2 . . . . A 13 PHE HB2 . 31122 1 142 . 1 . 1 13 13 PHE HB3 H 1 2.961 0.00 . 2 . . . . A 13 PHE HB3 . 31122 1 143 . 1 . 1 13 13 PHE HD1 H 1 6.343 0.00 . 3 . . . . A 13 PHE HD1 . 31122 1 144 . 1 . 1 13 13 PHE HD2 H 1 6.343 0.00 . 3 . . . . A 13 PHE HD2 . 31122 1 145 . 1 . 1 13 13 PHE HE1 H 1 6.384 0.00 . 3 . . . . A 13 PHE HE1 . 31122 1 146 . 1 . 1 13 13 PHE HE2 H 1 6.384 0.00 . 3 . . . . A 13 PHE HE2 . 31122 1 147 . 1 . 1 13 13 PHE HZ H 1 6.284 0.00 . 1 . . . . A 13 PHE HZ . 31122 1 148 . 1 . 1 13 13 PHE C C 13 176.312 0.00 . 1 . . . . A 13 PHE C . 31122 1 149 . 1 . 1 13 13 PHE CA C 13 54.067 0.00 . 1 . . . . A 13 PHE CA . 31122 1 150 . 1 . 1 13 13 PHE CB C 13 39.446 0.05 . 1 . . . . A 13 PHE CB . 31122 1 151 . 1 . 1 13 13 PHE CD1 C 13 129.334 0.00 . 3 . . . . A 13 PHE CD1 . 31122 1 152 . 1 . 1 13 13 PHE CD2 C 13 129.334 0.00 . 3 . . . . A 13 PHE CD2 . 31122 1 153 . 1 . 1 13 13 PHE CE1 C 13 131.663 0.00 . 3 . . . . A 13 PHE CE1 . 31122 1 154 . 1 . 1 13 13 PHE CE2 C 13 131.663 0.00 . 3 . . . . A 13 PHE CE2 . 31122 1 155 . 1 . 1 13 13 PHE CZ C 13 129.359 0.00 . 1 . . . . A 13 PHE CZ . 31122 1 156 . 1 . 1 13 13 PHE N N 15 122.408 0.01 . 1 . . . . A 13 PHE N . 31122 1 157 . 1 . 1 14 14 VAL H H 1 8.809 0.00 . 1 . . . . A 14 VAL H . 31122 1 158 . 1 . 1 14 14 VAL HA H 1 4.464 0.00 . 1 . . . . A 14 VAL HA . 31122 1 159 . 1 . 1 14 14 VAL HB H 1 2.329 0.00 . 1 . . . . A 14 VAL HB . 31122 1 160 . 1 . 1 14 14 VAL HG11 H 1 0.747 0.00 . 2 . . . . A 14 VAL HG11 . 31122 1 161 . 1 . 1 14 14 VAL HG12 H 1 0.747 0.00 . 2 . . . . A 14 VAL HG12 . 31122 1 162 . 1 . 1 14 14 VAL HG13 H 1 0.747 0.00 . 2 . . . . A 14 VAL HG13 . 31122 1 163 . 1 . 1 14 14 VAL HG21 H 1 0.864 0.00 . 2 . . . . A 14 VAL HG21 . 31122 1 164 . 1 . 1 14 14 VAL HG22 H 1 0.864 0.00 . 2 . . . . A 14 VAL HG22 . 31122 1 165 . 1 . 1 14 14 VAL HG23 H 1 0.864 0.00 . 2 . . . . A 14 VAL HG23 . 31122 1 166 . 1 . 1 14 14 VAL C C 13 175.560 0.00 . 1 . . . . A 14 VAL C . 31122 1 167 . 1 . 1 14 14 VAL CA C 13 60.900 0.00 . 1 . . . . A 14 VAL CA . 31122 1 168 . 1 . 1 14 14 VAL CB C 13 32.863 0.00 . 1 . . . . A 14 VAL CB . 31122 1 169 . 1 . 1 14 14 VAL CG1 C 13 17.685 0.00 . 2 . . . . A 14 VAL CG1 . 31122 1 170 . 1 . 1 14 14 VAL CG2 C 13 21.843 0.00 . 2 . . . . A 14 VAL CG2 . 31122 1 171 . 1 . 1 14 14 VAL N N 15 113.727 0.00 . 1 . . . . A 14 VAL N . 31122 1 172 . 1 . 1 15 15 ALA H H 1 7.998 0.00 . 1 . . . . A 15 ALA H . 31122 1 173 . 1 . 1 15 15 ALA HA H 1 4.834 0.00 . 1 . . . . A 15 ALA HA . 31122 1 174 . 1 . 1 15 15 ALA HB1 H 1 1.478 0.00 . 1 . . . . A 15 ALA HB1 . 31122 1 175 . 1 . 1 15 15 ALA HB2 H 1 1.478 0.00 . 1 . . . . A 15 ALA HB2 . 31122 1 176 . 1 . 1 15 15 ALA HB3 H 1 1.478 0.00 . 1 . . . . A 15 ALA HB3 . 31122 1 177 . 1 . 1 15 15 ALA C C 13 174.573 0.00 . 1 . . . . A 15 ALA C . 31122 1 178 . 1 . 1 15 15 ALA CA C 13 51.799 0.00 . 1 . . . . A 15 ALA CA . 31122 1 179 . 1 . 1 15 15 ALA CB C 13 22.309 0.00 . 1 . . . . A 15 ALA CB . 31122 1 180 . 1 . 1 15 15 ALA N N 15 122.244 0.01 . 1 . . . . A 15 ALA N . 31122 1 181 . 1 . 1 16 16 MET H H 1 8.288 0.00 . 1 . . . . A 16 MET H . 31122 1 182 . 1 . 1 16 16 MET HA H 1 5.144 0.00 . 1 . . . . A 16 MET HA . 31122 1 183 . 1 . 1 16 16 MET HB2 H 1 1.659 0.00 . 2 . . . . A 16 MET HB2 . 31122 1 184 . 1 . 1 16 16 MET HB3 H 1 1.605 0.00 . 2 . . . . A 16 MET HB3 . 31122 1 185 . 1 . 1 16 16 MET HG2 H 1 2.162 0.00 . 2 . . . . A 16 MET HG2 . 31122 1 186 . 1 . 1 16 16 MET HG3 H 1 1.936 0.00 . 2 . . . . A 16 MET HG3 . 31122 1 187 . 1 . 1 16 16 MET HE1 H 1 2.005 0.00 . 1 . . . . A 16 MET HE1 . 31122 1 188 . 1 . 1 16 16 MET HE2 H 1 2.005 0.00 . 1 . . . . A 16 MET HE2 . 31122 1 189 . 1 . 1 16 16 MET HE3 H 1 2.005 0.00 . 1 . . . . A 16 MET HE3 . 31122 1 190 . 1 . 1 16 16 MET C C 13 174.624 0.01 . 1 . . . . A 16 MET C . 31122 1 191 . 1 . 1 16 16 MET CA C 13 54.181 0.00 . 1 . . . . A 16 MET CA . 31122 1 192 . 1 . 1 16 16 MET CB C 13 38.963 0.01 . 1 . . . . A 16 MET CB . 31122 1 193 . 1 . 1 16 16 MET CG C 13 33.354 0.03 . 1 . . . . A 16 MET CG . 31122 1 194 . 1 . 1 16 16 MET CE C 13 17.737 0.00 . 1 . . . . A 16 MET CE . 31122 1 195 . 1 . 1 16 16 MET N N 15 117.467 0.00 . 1 . . . . A 16 MET N . 31122 1 196 . 1 . 1 17 17 LYS H H 1 8.836 0.00 . 1 . . . . A 17 LYS H . 31122 1 197 . 1 . 1 17 17 LYS HA H 1 4.446 0.00 . 1 . . . . A 17 LYS HA . 31122 1 198 . 1 . 1 17 17 LYS HB2 H 1 1.606 0.00 . 2 . . . . A 17 LYS HB2 . 31122 1 199 . 1 . 1 17 17 LYS HB3 H 1 1.429 0.00 . 2 . . . . A 17 LYS HB3 . 31122 1 200 . 1 . 1 17 17 LYS HG2 H 1 1.195 0.00 . 2 . . . . A 17 LYS HG2 . 31122 1 201 . 1 . 1 17 17 LYS HG3 H 1 1.168 0.00 . 2 . . . . A 17 LYS HG3 . 31122 1 202 . 1 . 1 17 17 LYS HD2 H 1 1.470 0.00 . 2 . . . . A 17 LYS HD2 . 31122 1 203 . 1 . 1 17 17 LYS HD3 H 1 1.450 0.00 . 2 . . . . A 17 LYS HD3 . 31122 1 204 . 1 . 1 17 17 LYS HE2 H 1 2.666 0.00 . 2 . . . . A 17 LYS HE2 . 31122 1 205 . 1 . 1 17 17 LYS HE3 H 1 2.682 0.00 . 2 . . . . A 17 LYS HE3 . 31122 1 206 . 1 . 1 17 17 LYS C C 13 173.106 0.00 . 1 . . . . A 17 LYS C . 31122 1 207 . 1 . 1 17 17 LYS CA C 13 55.545 0.00 . 1 . . . . A 17 LYS CA . 31122 1 208 . 1 . 1 17 17 LYS CB C 13 36.655 0.00 . 1 . . . . A 17 LYS CB . 31122 1 209 . 1 . 1 17 17 LYS CG C 13 24.689 0.01 . 1 . . . . A 17 LYS CG . 31122 1 210 . 1 . 1 17 17 LYS CD C 13 29.346 0.00 . 1 . . . . A 17 LYS CD . 31122 1 211 . 1 . 1 17 17 LYS CE C 13 41.828 0.00 . 1 . . . . A 17 LYS CE . 31122 1 212 . 1 . 1 17 17 LYS N N 15 118.681 0.01 . 1 . . . . A 17 LYS N . 31122 1 213 . 1 . 1 18 18 PHE H H 1 8.626 0.00 . 1 . . . . A 18 PHE H . 31122 1 214 . 1 . 1 18 18 PHE HA H 1 5.333 0.00 . 1 . . . . A 18 PHE HA . 31122 1 215 . 1 . 1 18 18 PHE HB2 H 1 3.063 0.00 . 2 . . . . A 18 PHE HB2 . 31122 1 216 . 1 . 1 18 18 PHE HB3 H 1 2.301 0.00 . 2 . . . . A 18 PHE HB3 . 31122 1 217 . 1 . 1 18 18 PHE HD1 H 1 6.611 0.00 . 3 . . . . A 18 PHE HD1 . 31122 1 218 . 1 . 1 18 18 PHE HD2 H 1 6.611 0.00 . 3 . . . . A 18 PHE HD2 . 31122 1 219 . 1 . 1 18 18 PHE HE1 H 1 6.174 0.00 . 3 . . . . A 18 PHE HE1 . 31122 1 220 . 1 . 1 18 18 PHE HE2 H 1 6.174 0.00 . 3 . . . . A 18 PHE HE2 . 31122 1 221 . 1 . 1 18 18 PHE HZ H 1 6.502 0.00 . 1 . . . . A 18 PHE HZ . 31122 1 222 . 1 . 1 18 18 PHE C C 13 174.502 0.00 . 1 . . . . A 18 PHE C . 31122 1 223 . 1 . 1 18 18 PHE CA C 13 56.270 0.00 . 1 . . . . A 18 PHE CA . 31122 1 224 . 1 . 1 18 18 PHE CB C 13 40.561 0.00 . 1 . . . . A 18 PHE CB . 31122 1 225 . 1 . 1 18 18 PHE CD1 C 13 131.124 0.00 . 3 . . . . A 18 PHE CD1 . 31122 1 226 . 1 . 1 18 18 PHE CD2 C 13 131.124 0.00 . 3 . . . . A 18 PHE CD2 . 31122 1 227 . 1 . 1 18 18 PHE CE1 C 13 130.451 0.00 . 3 . . . . A 18 PHE CE1 . 31122 1 228 . 1 . 1 18 18 PHE CE2 C 13 130.451 0.00 . 3 . . . . A 18 PHE CE2 . 31122 1 229 . 1 . 1 18 18 PHE CZ C 13 128.852 0.00 . 1 . . . . A 18 PHE CZ . 31122 1 230 . 1 . 1 18 18 PHE N N 15 127.376 0.01 . 1 . . . . A 18 PHE N . 31122 1 231 . 1 . 1 19 19 ILE H H 1 8.335 0.00 . 1 . . . . A 19 ILE H . 31122 1 232 . 1 . 1 19 19 ILE HA H 1 4.124 0.00 . 1 . . . . A 19 ILE HA . 31122 1 233 . 1 . 1 19 19 ILE HB H 1 1.595 0.00 . 1 . . . . A 19 ILE HB . 31122 1 234 . 1 . 1 19 19 ILE HG12 H 1 1.295 0.00 . 2 . . . . A 19 ILE HG12 . 31122 1 235 . 1 . 1 19 19 ILE HG13 H 1 0.876 0.00 . 2 . . . . A 19 ILE HG13 . 31122 1 236 . 1 . 1 19 19 ILE HG21 H 1 0.727 0.00 . 1 . . . . A 19 ILE HG21 . 31122 1 237 . 1 . 1 19 19 ILE HG22 H 1 0.727 0.00 . 1 . . . . A 19 ILE HG22 . 31122 1 238 . 1 . 1 19 19 ILE HG23 H 1 0.727 0.00 . 1 . . . . A 19 ILE HG23 . 31122 1 239 . 1 . 1 19 19 ILE HD11 H 1 0.576 0.00 . 1 . . . . A 19 ILE HD11 . 31122 1 240 . 1 . 1 19 19 ILE HD12 H 1 0.576 0.00 . 1 . . . . A 19 ILE HD12 . 31122 1 241 . 1 . 1 19 19 ILE HD13 H 1 0.576 0.00 . 1 . . . . A 19 ILE HD13 . 31122 1 242 . 1 . 1 19 19 ILE C C 13 174.586 0.01 . 1 . . . . A 19 ILE C . 31122 1 243 . 1 . 1 19 19 ILE CA C 13 59.563 0.00 . 1 . . . . A 19 ILE CA . 31122 1 244 . 1 . 1 19 19 ILE CB C 13 41.352 0.00 . 1 . . . . A 19 ILE CB . 31122 1 245 . 1 . 1 19 19 ILE CG1 C 13 26.849 0.00 . 1 . . . . A 19 ILE CG1 . 31122 1 246 . 1 . 1 19 19 ILE CG2 C 13 16.949 0.00 . 1 . . . . A 19 ILE CG2 . 31122 1 247 . 1 . 1 19 19 ILE CD1 C 13 13.283 0.00 . 1 . . . . A 19 ILE CD1 . 31122 1 248 . 1 . 1 19 19 ILE N N 15 126.477 0.00 . 1 . . . . A 19 ILE N . 31122 1 249 . 1 . 1 20 20 ASP H H 1 8.958 0.00 . 1 . . . . A 20 ASP H . 31122 1 250 . 1 . 1 20 20 ASP HA H 1 4.008 0.00 . 1 . . . . A 20 ASP HA . 31122 1 251 . 1 . 1 20 20 ASP HB2 H 1 2.749 0.00 . 2 . . . . A 20 ASP HB2 . 31122 1 252 . 1 . 1 20 20 ASP HB3 H 1 2.482 0.00 . 2 . . . . A 20 ASP HB3 . 31122 1 253 . 1 . 1 20 20 ASP C C 13 176.432 0.00 . 1 . . . . A 20 ASP C . 31122 1 254 . 1 . 1 20 20 ASP CA C 13 55.521 0.00 . 1 . . . . A 20 ASP CA . 31122 1 255 . 1 . 1 20 20 ASP CB C 13 39.051 0.00 . 1 . . . . A 20 ASP CB . 31122 1 256 . 1 . 1 20 20 ASP N N 15 126.766 0.01 . 1 . . . . A 20 ASP N . 31122 1 257 . 1 . 1 21 21 ASN H H 1 8.407 0.00 . 1 . . . . A 21 ASN H . 31122 1 258 . 1 . 1 21 21 ASN HA H 1 3.680 0.00 . 1 . . . . A 21 ASN HA . 31122 1 259 . 1 . 1 21 21 ASN HB2 H 1 3.112 0.00 . 2 . . . . A 21 ASN HB2 . 31122 1 260 . 1 . 1 21 21 ASN HB3 H 1 2.581 0.00 . 2 . . . . A 21 ASN HB3 . 31122 1 261 . 1 . 1 21 21 ASN HD21 H 1 7.514 0.00 . 1 . . . . A 21 ASN HD21 . 31122 1 262 . 1 . 1 21 21 ASN HD22 H 1 6.966 0.00 . 1 . . . . A 21 ASN HD22 . 31122 1 263 . 1 . 1 21 21 ASN C C 13 172.752 0.00 . 1 . . . . A 21 ASN C . 31122 1 264 . 1 . 1 21 21 ASN CA C 13 54.428 0.00 . 1 . . . . A 21 ASN CA . 31122 1 265 . 1 . 1 21 21 ASN CB C 13 38.621 0.01 . 1 . . . . A 21 ASN CB . 31122 1 266 . 1 . 1 21 21 ASN CG C 13 178.393 0.01 . 1 . . . . A 21 ASN CG . 31122 1 267 . 1 . 1 21 21 ASN N N 15 113.077 0.00 . 1 . . . . A 21 ASN N . 31122 1 268 . 1 . 1 21 21 ASN ND2 N 15 112.810 0.00 . 1 . . . . A 21 ASN ND2 . 31122 1 269 . 1 . 1 22 22 THR H H 1 6.882 0.00 . 1 . . . . A 22 THR H . 31122 1 270 . 1 . 1 22 22 THR HA H 1 4.040 0.00 . 1 . . . . A 22 THR HA . 31122 1 271 . 1 . 1 22 22 THR HB H 1 3.846 0.00 . 1 . . . . A 22 THR HB . 31122 1 272 . 1 . 1 22 22 THR HG21 H 1 0.553 0.00 . 1 . . . . A 22 THR HG21 . 31122 1 273 . 1 . 1 22 22 THR HG22 H 1 0.553 0.00 . 1 . . . . A 22 THR HG22 . 31122 1 274 . 1 . 1 22 22 THR HG23 H 1 0.553 0.00 . 1 . . . . A 22 THR HG23 . 31122 1 275 . 1 . 1 22 22 THR C C 13 169.872 0.00 . 1 . . . . A 22 THR C . 31122 1 276 . 1 . 1 22 22 THR CA C 13 62.031 0.00 . 1 . . . . A 22 THR CA . 31122 1 277 . 1 . 1 22 22 THR CB C 13 71.408 0.00 . 1 . . . . A 22 THR CB . 31122 1 278 . 1 . 1 22 22 THR CG2 C 13 20.560 0.00 . 1 . . . . A 22 THR CG2 . 31122 1 279 . 1 . 1 22 22 THR N N 15 113.808 0.03 . 1 . . . . A 22 THR N . 31122 1 280 . 1 . 1 23 23 LEU H H 1 7.686 0.00 . 1 . . . . A 23 LEU H . 31122 1 281 . 1 . 1 23 23 LEU HA H 1 4.505 0.00 . 1 . . . . A 23 LEU HA . 31122 1 282 . 1 . 1 23 23 LEU HB2 H 1 1.723 0.00 . 2 . . . . A 23 LEU HB2 . 31122 1 283 . 1 . 1 23 23 LEU HB3 H 1 0.783 0.00 . 2 . . . . A 23 LEU HB3 . 31122 1 284 . 1 . 1 23 23 LEU HG H 1 0.603 0.00 . 1 . . . . A 23 LEU HG . 31122 1 285 . 1 . 1 23 23 LEU HD11 H 1 0.508 0.00 . 1 . . . . A 23 LEU HD11 . 31122 1 286 . 1 . 1 23 23 LEU HD12 H 1 0.508 0.00 . 1 . . . . A 23 LEU HD12 . 31122 1 287 . 1 . 1 23 23 LEU HD13 H 1 0.508 0.00 . 1 . . . . A 23 LEU HD13 . 31122 1 288 . 1 . 1 23 23 LEU HD21 H 1 0.712 0.00 . 1 . . . . A 23 LEU HD21 . 31122 1 289 . 1 . 1 23 23 LEU HD22 H 1 0.712 0.00 . 1 . . . . A 23 LEU HD22 . 31122 1 290 . 1 . 1 23 23 LEU HD23 H 1 0.712 0.00 . 1 . . . . A 23 LEU HD23 . 31122 1 291 . 1 . 1 23 23 LEU C C 13 172.821 0.00 . 1 . . . . A 23 LEU C . 31122 1 292 . 1 . 1 23 23 LEU CA C 13 53.859 0.00 . 1 . . . . A 23 LEU CA . 31122 1 293 . 1 . 1 23 23 LEU CB C 13 44.335 0.11 . 1 . . . . A 23 LEU CB . 31122 1 294 . 1 . 1 23 23 LEU CG C 13 26.350 0.00 . 1 . . . . A 23 LEU CG . 31122 1 295 . 1 . 1 23 23 LEU CD1 C 13 23.013 0.00 . 1 . . . . A 23 LEU CD1 . 31122 1 296 . 1 . 1 23 23 LEU CD2 C 13 27.531 0.00 . 1 . . . . A 23 LEU CD2 . 31122 1 297 . 1 . 1 23 23 LEU N N 15 126.409 0.00 . 1 . . . . A 23 LEU N . 31122 1 298 . 1 . 1 24 24 TYR H H 1 8.612 0.00 . 1 . . . . A 24 TYR H . 31122 1 299 . 1 . 1 24 24 TYR HA H 1 5.312 0.00 . 1 . . . . A 24 TYR HA . 31122 1 300 . 1 . 1 24 24 TYR HB2 H 1 2.768 0.00 . 2 . . . . A 24 TYR HB2 . 31122 1 301 . 1 . 1 24 24 TYR HB3 H 1 2.553 0.00 . 2 . . . . A 24 TYR HB3 . 31122 1 302 . 1 . 1 24 24 TYR HD1 H 1 6.751 0.00 . 3 . . . . A 24 TYR HD1 . 31122 1 303 . 1 . 1 24 24 TYR HD2 H 1 6.751 0.00 . 3 . . . . A 24 TYR HD2 . 31122 1 304 . 1 . 1 24 24 TYR HE1 H 1 6.571 0.00 . 3 . . . . A 24 TYR HE1 . 31122 1 305 . 1 . 1 24 24 TYR HE2 H 1 6.571 0.00 . 3 . . . . A 24 TYR HE2 . 31122 1 306 . 1 . 1 24 24 TYR C C 13 174.658 0.01 . 1 . . . . A 24 TYR C . 31122 1 307 . 1 . 1 24 24 TYR CA C 13 55.870 0.00 . 1 . . . . A 24 TYR CA . 31122 1 308 . 1 . 1 24 24 TYR CB C 13 42.501 0.02 . 1 . . . . A 24 TYR CB . 31122 1 309 . 1 . 1 24 24 TYR CD1 C 13 133.489 0.00 . 3 . . . . A 24 TYR CD1 . 31122 1 310 . 1 . 1 24 24 TYR CD2 C 13 133.489 0.00 . 3 . . . . A 24 TYR CD2 . 31122 1 311 . 1 . 1 24 24 TYR CE1 C 13 117.572 0.00 . 3 . . . . A 24 TYR CE1 . 31122 1 312 . 1 . 1 24 24 TYR CE2 C 13 117.572 0.00 . 3 . . . . A 24 TYR CE2 . 31122 1 313 . 1 . 1 24 24 TYR N N 15 122.782 0.00 . 1 . . . . A 24 TYR N . 31122 1 314 . 1 . 1 25 25 PHE H H 1 9.367 0.00 . 1 . . . . A 25 PHE H . 31122 1 315 . 1 . 1 25 25 PHE HA H 1 4.747 0.00 . 1 . . . . A 25 PHE HA . 31122 1 316 . 1 . 1 25 25 PHE HB2 H 1 1.574 0.00 . 2 . . . . A 25 PHE HB2 . 31122 1 317 . 1 . 1 25 25 PHE HB3 H 1 1.431 0.00 . 2 . . . . A 25 PHE HB3 . 31122 1 318 . 1 . 1 25 25 PHE HD1 H 1 6.585 0.00 . 3 . . . . A 25 PHE HD1 . 31122 1 319 . 1 . 1 25 25 PHE HD2 H 1 6.585 0.00 . 3 . . . . A 25 PHE HD2 . 31122 1 320 . 1 . 1 25 25 PHE HE1 H 1 6.645 0.00 . 3 . . . . A 25 PHE HE1 . 31122 1 321 . 1 . 1 25 25 PHE HE2 H 1 6.645 0.00 . 3 . . . . A 25 PHE HE2 . 31122 1 322 . 1 . 1 25 25 PHE HZ H 1 6.309 0.00 . 1 . . . . A 25 PHE HZ . 31122 1 323 . 1 . 1 25 25 PHE C C 13 174.380 0.00 . 1 . . . . A 25 PHE C . 31122 1 324 . 1 . 1 25 25 PHE CA C 13 56.163 0.00 . 1 . . . . A 25 PHE CA . 31122 1 325 . 1 . 1 25 25 PHE CB C 13 41.415 0.00 . 1 . . . . A 25 PHE CB . 31122 1 326 . 1 . 1 25 25 PHE CD1 C 13 131.577 0.00 . 3 . . . . A 25 PHE CD1 . 31122 1 327 . 1 . 1 25 25 PHE CD2 C 13 131.577 0.00 . 3 . . . . A 25 PHE CD2 . 31122 1 328 . 1 . 1 25 25 PHE CE1 C 13 129.759 0.00 . 3 . . . . A 25 PHE CE1 . 31122 1 329 . 1 . 1 25 25 PHE CE2 C 13 129.759 0.00 . 3 . . . . A 25 PHE CE2 . 31122 1 330 . 1 . 1 25 25 PHE CZ C 13 129.362 0.00 . 1 . . . . A 25 PHE CZ . 31122 1 331 . 1 . 1 25 25 PHE N N 15 117.560 0.01 . 1 . . . . A 25 PHE N . 31122 1 332 . 1 . 1 26 26 ILE H H 1 8.097 0.00 . 1 . . . . A 26 ILE H . 31122 1 333 . 1 . 1 26 26 ILE HA H 1 4.460 0.00 . 1 . . . . A 26 ILE HA . 31122 1 334 . 1 . 1 26 26 ILE HB H 1 1.524 0.00 . 1 . . . . A 26 ILE HB . 31122 1 335 . 1 . 1 26 26 ILE HG12 H 1 1.256 0.00 . 2 . . . . A 26 ILE HG12 . 31122 1 336 . 1 . 1 26 26 ILE HG13 H 1 1.047 0.00 . 2 . . . . A 26 ILE HG13 . 31122 1 337 . 1 . 1 26 26 ILE HG21 H 1 0.902 0.00 . 1 . . . . A 26 ILE HG21 . 31122 1 338 . 1 . 1 26 26 ILE HG22 H 1 0.902 0.00 . 1 . . . . A 26 ILE HG22 . 31122 1 339 . 1 . 1 26 26 ILE HG23 H 1 0.902 0.00 . 1 . . . . A 26 ILE HG23 . 31122 1 340 . 1 . 1 26 26 ILE HD11 H 1 0.634 0.00 . 1 . . . . A 26 ILE HD11 . 31122 1 341 . 1 . 1 26 26 ILE HD12 H 1 0.634 0.00 . 1 . . . . A 26 ILE HD12 . 31122 1 342 . 1 . 1 26 26 ILE HD13 H 1 0.634 0.00 . 1 . . . . A 26 ILE HD13 . 31122 1 343 . 1 . 1 26 26 ILE C C 13 175.842 0.00 . 1 . . . . A 26 ILE C . 31122 1 344 . 1 . 1 26 26 ILE CA C 13 60.456 0.00 . 1 . . . . A 26 ILE CA . 31122 1 345 . 1 . 1 26 26 ILE CB C 13 39.964 0.00 . 1 . . . . A 26 ILE CB . 31122 1 346 . 1 . 1 26 26 ILE CG1 C 13 28.654 0.01 . 1 . . . . A 26 ILE CG1 . 31122 1 347 . 1 . 1 26 26 ILE CG2 C 13 17.977 0.00 . 1 . . . . A 26 ILE CG2 . 31122 1 348 . 1 . 1 26 26 ILE CD1 C 13 13.960 0.00 . 1 . . . . A 26 ILE CD1 . 31122 1 349 . 1 . 1 26 26 ILE N N 15 120.891 0.01 . 1 . . . . A 26 ILE N . 31122 1 350 . 1 . 1 27 27 ALA H H 1 9.244 0.00 . 1 . . . . A 27 ALA H . 31122 1 351 . 1 . 1 27 27 ALA HA H 1 5.186 0.00 . 1 . . . . A 27 ALA HA . 31122 1 352 . 1 . 1 27 27 ALA HB1 H 1 1.552 0.00 . 1 . . . . A 27 ALA HB1 . 31122 1 353 . 1 . 1 27 27 ALA HB2 H 1 1.552 0.00 . 1 . . . . A 27 ALA HB2 . 31122 1 354 . 1 . 1 27 27 ALA HB3 H 1 1.552 0.00 . 1 . . . . A 27 ALA HB3 . 31122 1 355 . 1 . 1 27 27 ALA C C 13 177.404 0.00 . 1 . . . . A 27 ALA C . 31122 1 356 . 1 . 1 27 27 ALA CA C 13 51.417 0.00 . 1 . . . . A 27 ALA CA . 31122 1 357 . 1 . 1 27 27 ALA CB C 13 21.061 0.00 . 1 . . . . A 27 ALA CB . 31122 1 358 . 1 . 1 27 27 ALA N N 15 130.071 0.00 . 1 . . . . A 27 ALA N . 31122 1 359 . 1 . 1 28 28 GLU H H 1 8.433 0.00 . 1 . . . . A 28 GLU H . 31122 1 360 . 1 . 1 28 28 GLU HA H 1 4.116 0.00 . 1 . . . . A 28 GLU HA . 31122 1 361 . 1 . 1 28 28 GLU HB2 H 1 1.979 0.00 . 2 . . . . A 28 GLU HB2 . 31122 1 362 . 1 . 1 28 28 GLU HB3 H 1 2.011 0.00 . 2 . . . . A 28 GLU HB3 . 31122 1 363 . 1 . 1 28 28 GLU HG2 H 1 2.269 0.00 . 2 . . . . A 28 GLU HG2 . 31122 1 364 . 1 . 1 28 28 GLU HG3 H 1 2.225 0.00 . 2 . . . . A 28 GLU HG3 . 31122 1 365 . 1 . 1 28 28 GLU C C 13 175.702 0.00 . 1 . . . . A 28 GLU C . 31122 1 366 . 1 . 1 28 28 GLU CA C 13 56.858 0.00 . 1 . . . . A 28 GLU CA . 31122 1 367 . 1 . 1 28 28 GLU CB C 13 30.721 0.02 . 1 . . . . A 28 GLU CB . 31122 1 368 . 1 . 1 28 28 GLU CG C 13 36.121 0.00 . 1 . . . . A 28 GLU CG . 31122 1 369 . 1 . 1 28 28 GLU N N 15 120.464 0.00 . 1 . . . . A 28 GLU N . 31122 1 370 . 1 . 1 29 29 ASP H H 1 8.434 0.00 . 1 . . . . A 29 ASP H . 31122 1 371 . 1 . 1 29 29 ASP HA H 1 4.565 0.00 . 1 . . . . A 29 ASP HA . 31122 1 372 . 1 . 1 29 29 ASP HB2 H 1 2.662 0.00 . 2 . . . . A 29 ASP HB2 . 31122 1 373 . 1 . 1 29 29 ASP HB3 H 1 2.564 0.00 . 2 . . . . A 29 ASP HB3 . 31122 1 374 . 1 . 1 29 29 ASP C C 13 175.661 0.01 . 1 . . . . A 29 ASP C . 31122 1 375 . 1 . 1 29 29 ASP CA C 13 54.472 0.00 . 1 . . . . A 29 ASP CA . 31122 1 376 . 1 . 1 29 29 ASP CB C 13 41.369 0.00 . 1 . . . . A 29 ASP CB . 31122 1 377 . 1 . 1 29 29 ASP N N 15 122.237 0.00 . 1 . . . . A 29 ASP N . 31122 1 378 . 1 . 1 30 30 ASP H H 1 8.264 0.00 . 1 . . . . A 30 ASP H . 31122 1 379 . 1 . 1 30 30 ASP HA H 1 4.546 0.00 . 1 . . . . A 30 ASP HA . 31122 1 380 . 1 . 1 30 30 ASP HB2 H 1 2.635 0.00 . 2 . . . . A 30 ASP HB2 . 31122 1 381 . 1 . 1 30 30 ASP HB3 H 1 2.635 0.00 . 2 . . . . A 30 ASP HB3 . 31122 1 382 . 1 . 1 30 30 ASP C C 13 176.621 0.00 . 1 . . . . A 30 ASP C . 31122 1 383 . 1 . 1 30 30 ASP CA C 13 54.259 0.00 . 1 . . . . A 30 ASP CA . 31122 1 384 . 1 . 1 30 30 ASP CB C 13 41.535 0.00 . 1 . . . . A 30 ASP CB . 31122 1 385 . 1 . 1 30 30 ASP N N 15 121.410 0.00 . 1 . . . . A 30 ASP N . 31122 1 386 . 1 . 1 31 31 GLU H H 1 8.518 0.00 . 1 . . . . A 31 GLU H . 31122 1 387 . 1 . 1 31 31 GLU HA H 1 4.126 0.00 . 1 . . . . A 31 GLU HA . 31122 1 388 . 1 . 1 31 31 GLU HB2 H 1 1.985 0.00 . 2 . . . . A 31 GLU HB2 . 31122 1 389 . 1 . 1 31 31 GLU HB3 H 1 1.915 0.00 . 2 . . . . A 31 GLU HB3 . 31122 1 390 . 1 . 1 31 31 GLU HG2 H 1 2.193 0.00 . 2 . . . . A 31 GLU HG2 . 31122 1 391 . 1 . 1 31 31 GLU HG3 H 1 2.181 0.00 . 2 . . . . A 31 GLU HG3 . 31122 1 392 . 1 . 1 31 31 GLU C C 13 176.555 0.01 . 1 . . . . A 31 GLU C . 31122 1 393 . 1 . 1 31 31 GLU CA C 13 57.382 0.00 . 1 . . . . A 31 GLU CA . 31122 1 394 . 1 . 1 31 31 GLU CB C 13 29.716 0.00 . 1 . . . . A 31 GLU CB . 31122 1 395 . 1 . 1 31 31 GLU CG C 13 35.978 0.00 . 1 . . . . A 31 GLU CG . 31122 1 396 . 1 . 1 31 31 GLU N N 15 121.755 0.00 . 1 . . . . A 31 GLU N . 31122 1 397 . 1 . 1 32 32 ASN H H 1 8.432 0.00 . 1 . . . . A 32 ASN H . 31122 1 398 . 1 . 1 32 32 ASN HA H 1 4.599 0.00 . 1 . . . . A 32 ASN HA . 31122 1 399 . 1 . 1 32 32 ASN HB2 H 1 2.756 0.00 . 2 . . . . A 32 ASN HB2 . 31122 1 400 . 1 . 1 32 32 ASN HB3 H 1 2.671 0.00 . 2 . . . . A 32 ASN HB3 . 31122 1 401 . 1 . 1 32 32 ASN HD21 H 1 7.673 0.00 . 1 . . . . A 32 ASN HD21 . 31122 1 402 . 1 . 1 32 32 ASN HD22 H 1 6.870 0.00 . 1 . . . . A 32 ASN HD22 . 31122 1 403 . 1 . 1 32 32 ASN C C 13 175.359 0.00 . 1 . . . . A 32 ASN C . 31122 1 404 . 1 . 1 32 32 ASN CA C 13 53.577 0.00 . 1 . . . . A 32 ASN CA . 31122 1 405 . 1 . 1 32 32 ASN CB C 13 38.810 0.00 . 1 . . . . A 32 ASN CB . 31122 1 406 . 1 . 1 32 32 ASN CG C 13 177.156 0.01 . 1 . . . . A 32 ASN CG . 31122 1 407 . 1 . 1 32 32 ASN N N 15 118.284 0.00 . 1 . . . . A 32 ASN N . 31122 1 408 . 1 . 1 32 32 ASN ND2 N 15 113.886 0.00 . 1 . . . . A 32 ASN ND2 . 31122 1 409 . 1 . 1 33 33 LEU H H 1 8.022 0.00 . 1 . . . . A 33 LEU H . 31122 1 410 . 1 . 1 33 33 LEU HA H 1 4.174 0.00 . 1 . . . . A 33 LEU HA . 31122 1 411 . 1 . 1 33 33 LEU HB2 H 1 1.638 0.00 . 2 . . . . A 33 LEU HB2 . 31122 1 412 . 1 . 1 33 33 LEU HB3 H 1 1.513 0.00 . 2 . . . . A 33 LEU HB3 . 31122 1 413 . 1 . 1 33 33 LEU HG H 1 1.561 0.00 . 1 . . . . A 33 LEU HG . 31122 1 414 . 1 . 1 33 33 LEU HD11 H 1 0.841 0.00 . 1 . . . . A 33 LEU HD11 . 31122 1 415 . 1 . 1 33 33 LEU HD12 H 1 0.841 0.00 . 1 . . . . A 33 LEU HD12 . 31122 1 416 . 1 . 1 33 33 LEU HD13 H 1 0.841 0.00 . 1 . . . . A 33 LEU HD13 . 31122 1 417 . 1 . 1 33 33 LEU HD21 H 1 0.753 0.00 . 1 . . . . A 33 LEU HD21 . 31122 1 418 . 1 . 1 33 33 LEU HD22 H 1 0.753 0.00 . 1 . . . . A 33 LEU HD22 . 31122 1 419 . 1 . 1 33 33 LEU HD23 H 1 0.753 0.00 . 1 . . . . A 33 LEU HD23 . 31122 1 420 . 1 . 1 33 33 LEU C C 13 177.518 0.00 . 1 . . . . A 33 LEU C . 31122 1 421 . 1 . 1 33 33 LEU CA C 13 55.622 0.00 . 1 . . . . A 33 LEU CA . 31122 1 422 . 1 . 1 33 33 LEU CB C 13 42.153 0.01 . 1 . . . . A 33 LEU CB . 31122 1 423 . 1 . 1 33 33 LEU CG C 13 27.001 0.00 . 1 . . . . A 33 LEU CG . 31122 1 424 . 1 . 1 33 33 LEU CD1 C 13 25.257 0.00 . 1 . . . . A 33 LEU CD1 . 31122 1 425 . 1 . 1 33 33 LEU CD2 C 13 23.464 0.00 . 1 . . . . A 33 LEU CD2 . 31122 1 426 . 1 . 1 33 33 LEU N N 15 121.665 0.00 . 1 . . . . A 33 LEU N . 31122 1 427 . 1 . 1 34 34 GLU H H 1 8.242 0.00 . 1 . . . . A 34 GLU H . 31122 1 428 . 1 . 1 34 34 GLU HA H 1 4.206 0.00 . 1 . . . . A 34 GLU HA . 31122 1 429 . 1 . 1 34 34 GLU HB2 H 1 2.043 0.00 . 2 . . . . A 34 GLU HB2 . 31122 1 430 . 1 . 1 34 34 GLU HB3 H 1 1.899 0.00 . 2 . . . . A 34 GLU HB3 . 31122 1 431 . 1 . 1 34 34 GLU HG2 H 1 2.194 0.00 . 2 . . . . A 34 GLU HG2 . 31122 1 432 . 1 . 1 34 34 GLU HG3 H 1 2.194 0.00 . 2 . . . . A 34 GLU HG3 . 31122 1 433 . 1 . 1 34 34 GLU C C 13 176.790 0.00 . 1 . . . . A 34 GLU C . 31122 1 434 . 1 . 1 34 34 GLU CA C 13 56.701 0.00 . 1 . . . . A 34 GLU CA . 31122 1 435 . 1 . 1 34 34 GLU CB C 13 29.867 0.02 . 1 . . . . A 34 GLU CB . 31122 1 436 . 1 . 1 34 34 GLU CG C 13 36.187 0.00 . 1 . . . . A 34 GLU CG . 31122 1 437 . 1 . 1 34 34 GLU N N 15 119.836 0.00 . 1 . . . . A 34 GLU N . 31122 1 438 . 1 . 1 35 35 SER H H 1 8.064 0.00 . 1 . . . . A 35 SER H . 31122 1 439 . 1 . 1 35 35 SER HA H 1 4.283 0.00 . 1 . . . . A 35 SER HA . 31122 1 440 . 1 . 1 35 35 SER HB2 H 1 3.807 0.00 . 2 . . . . A 35 SER HB2 . 31122 1 441 . 1 . 1 35 35 SER HB3 H 1 3.739 0.00 . 2 . . . . A 35 SER HB3 . 31122 1 442 . 1 . 1 35 35 SER C C 13 174.594 0.00 . 1 . . . . A 35 SER C . 31122 1 443 . 1 . 1 35 35 SER CA C 13 58.771 0.00 . 1 . . . . A 35 SER CA . 31122 1 444 . 1 . 1 35 35 SER CB C 13 63.805 0.00 . 1 . . . . A 35 SER CB . 31122 1 445 . 1 . 1 35 35 SER N N 15 115.694 0.01 . 1 . . . . A 35 SER N . 31122 1 446 . 1 . 1 36 36 ASP H H 1 8.320 0.00 . 1 . . . . A 36 ASP H . 31122 1 447 . 1 . 1 36 36 ASP HA H 1 4.488 0.00 . 1 . . . . A 36 ASP HA . 31122 1 448 . 1 . 1 36 36 ASP HB2 H 1 2.528 0.00 . 2 . . . . A 36 ASP HB2 . 31122 1 449 . 1 . 1 36 36 ASP HB3 H 1 2.527 0.00 . 2 . . . . A 36 ASP HB3 . 31122 1 450 . 1 . 1 36 36 ASP C C 13 176.290 0.02 . 1 . . . . A 36 ASP C . 31122 1 451 . 1 . 1 36 36 ASP CA C 13 54.492 0.00 . 1 . . . . A 36 ASP CA . 31122 1 452 . 1 . 1 36 36 ASP CB C 13 40.863 0.00 . 1 . . . . A 36 ASP CB . 31122 1 453 . 1 . 1 36 36 ASP N N 15 121.732 0.01 . 1 . . . . A 36 ASP N . 31122 1 454 . 1 . 1 37 37 TYR H H 1 7.910 0.00 . 1 . . . . A 37 TYR H . 31122 1 455 . 1 . 1 37 37 TYR HA H 1 4.219 0.00 . 1 . . . . A 37 TYR HA . 31122 1 456 . 1 . 1 37 37 TYR HB2 H 1 2.829 0.00 . 2 . . . . A 37 TYR HB2 . 31122 1 457 . 1 . 1 37 37 TYR HB3 H 1 2.752 0.00 . 2 . . . . A 37 TYR HB3 . 31122 1 458 . 1 . 1 37 37 TYR HD1 H 1 6.772 0.00 . 3 . . . . A 37 TYR HD1 . 31122 1 459 . 1 . 1 37 37 TYR HD2 H 1 6.774 0.00 . 3 . . . . A 37 TYR HD2 . 31122 1 460 . 1 . 1 37 37 TYR HE1 H 1 6.669 0.00 . 3 . . . . A 37 TYR HE1 . 31122 1 461 . 1 . 1 37 37 TYR HE2 H 1 6.669 0.00 . 3 . . . . A 37 TYR HE2 . 31122 1 462 . 1 . 1 37 37 TYR C C 13 176.040 0.00 . 1 . . . . A 37 TYR C . 31122 1 463 . 1 . 1 37 37 TYR CA C 13 59.082 0.00 . 1 . . . . A 37 TYR CA . 31122 1 464 . 1 . 1 37 37 TYR CB C 13 38.576 0.00 . 1 . . . . A 37 TYR CB . 31122 1 465 . 1 . 1 37 37 TYR CD1 C 13 133.084 0.00 . 3 . . . . A 37 TYR CD1 . 31122 1 466 . 1 . 1 37 37 TYR CD2 C 13 133.076 0.00 . 3 . . . . A 37 TYR CD2 . 31122 1 467 . 1 . 1 37 37 TYR CE1 C 13 118.143 0.00 . 3 . . . . A 37 TYR CE1 . 31122 1 468 . 1 . 1 37 37 TYR CE2 C 13 118.143 0.00 . 3 . . . . A 37 TYR CE2 . 31122 1 469 . 1 . 1 37 37 TYR N N 15 119.841 0.00 . 1 . . . . A 37 TYR N . 31122 1 470 . 1 . 1 38 38 PHE H H 1 8.043 0.00 . 1 . . . . A 38 PHE H . 31122 1 471 . 1 . 1 38 38 PHE HA H 1 4.363 0.00 . 1 . . . . A 38 PHE HA . 31122 1 472 . 1 . 1 38 38 PHE HB2 H 1 3.134 0.00 . 2 . . . . A 38 PHE HB2 . 31122 1 473 . 1 . 1 38 38 PHE HB3 H 1 2.935 0.00 . 2 . . . . A 38 PHE HB3 . 31122 1 474 . 1 . 1 38 38 PHE HD1 H 1 7.197 0.00 . 3 . . . . A 38 PHE HD1 . 31122 1 475 . 1 . 1 38 38 PHE HD2 H 1 7.197 0.00 . 3 . . . . A 38 PHE HD2 . 31122 1 476 . 1 . 1 38 38 PHE HE1 H 1 7.292 0.00 . 3 . . . . A 38 PHE HE1 . 31122 1 477 . 1 . 1 38 38 PHE HE2 H 1 7.292 0.00 . 3 . . . . A 38 PHE HE2 . 31122 1 478 . 1 . 1 38 38 PHE HZ H 1 7.230 0.00 . 1 . . . . A 38 PHE HZ . 31122 1 479 . 1 . 1 38 38 PHE C C 13 176.383 0.00 . 1 . . . . A 38 PHE C . 31122 1 480 . 1 . 1 38 38 PHE CA C 13 58.509 0.00 . 1 . . . . A 38 PHE CA . 31122 1 481 . 1 . 1 38 38 PHE CB C 13 38.936 0.01 . 1 . . . . A 38 PHE CB . 31122 1 482 . 1 . 1 38 38 PHE CD1 C 13 131.637 0.00 . 3 . . . . A 38 PHE CD1 . 31122 1 483 . 1 . 1 38 38 PHE CD2 C 13 131.637 0.00 . 3 . . . . A 38 PHE CD2 . 31122 1 484 . 1 . 1 38 38 PHE CE1 C 13 131.459 0.00 . 3 . . . . A 38 PHE CE1 . 31122 1 485 . 1 . 1 38 38 PHE CE2 C 13 131.451 0.00 . 3 . . . . A 38 PHE CE2 . 31122 1 486 . 1 . 1 38 38 PHE CZ C 13 129.718 0.00 . 1 . . . . A 38 PHE CZ . 31122 1 487 . 1 . 1 38 38 PHE N N 15 119.249 0.00 . 1 . . . . A 38 PHE N . 31122 1 488 . 1 . 1 39 39 GLY H H 1 7.899 0.00 . 1 . . . . A 39 GLY H . 31122 1 489 . 1 . 1 39 39 GLY HA2 H 1 3.816 0.00 . 2 . . . . A 39 GLY HA2 . 31122 1 490 . 1 . 1 39 39 GLY HA3 H 1 3.816 0.00 . 2 . . . . A 39 GLY HA3 . 31122 1 491 . 1 . 1 39 39 GLY C C 13 174.170 0.00 . 1 . . . . A 39 GLY C . 31122 1 492 . 1 . 1 39 39 GLY CA C 13 45.586 0.00 . 1 . . . . A 39 GLY CA . 31122 1 493 . 1 . 1 39 39 GLY N N 15 108.920 0.00 . 1 . . . . A 39 GLY N . 31122 1 494 . 1 . 1 40 40 LYS H H 1 7.865 0.00 . 1 . . . . A 40 LYS H . 31122 1 495 . 1 . 1 40 40 LYS HA H 1 4.238 0.00 . 1 . . . . A 40 LYS HA . 31122 1 496 . 1 . 1 40 40 LYS HB2 H 1 1.773 0.00 . 2 . . . . A 40 LYS HB2 . 31122 1 497 . 1 . 1 40 40 LYS HB3 H 1 1.631 0.00 . 2 . . . . A 40 LYS HB3 . 31122 1 498 . 1 . 1 40 40 LYS HG2 H 1 1.353 0.00 . 2 . . . . A 40 LYS HG2 . 31122 1 499 . 1 . 1 40 40 LYS HG3 H 1 1.312 0.00 . 2 . . . . A 40 LYS HG3 . 31122 1 500 . 1 . 1 40 40 LYS HD2 H 1 1.577 0.00 . 2 . . . . A 40 LYS HD2 . 31122 1 501 . 1 . 1 40 40 LYS HD3 H 1 1.577 0.00 . 2 . . . . A 40 LYS HD3 . 31122 1 502 . 1 . 1 40 40 LYS HE2 H 1 2.890 0.00 . 2 . . . . A 40 LYS HE2 . 31122 1 503 . 1 . 1 40 40 LYS HE3 H 1 2.890 0.00 . 2 . . . . A 40 LYS HE3 . 31122 1 504 . 1 . 1 40 40 LYS C C 13 176.772 0.00 . 1 . . . . A 40 LYS C . 31122 1 505 . 1 . 1 40 40 LYS CA C 13 56.307 0.00 . 1 . . . . A 40 LYS CA . 31122 1 506 . 1 . 1 40 40 LYS CB C 13 32.843 0.01 . 1 . . . . A 40 LYS CB . 31122 1 507 . 1 . 1 40 40 LYS CG C 13 24.843 0.01 . 1 . . . . A 40 LYS CG . 31122 1 508 . 1 . 1 40 40 LYS CD C 13 28.974 0.00 . 1 . . . . A 40 LYS CD . 31122 1 509 . 1 . 1 40 40 LYS CE C 13 42.145 0.00 . 1 . . . . A 40 LYS CE . 31122 1 510 . 1 . 1 40 40 LYS N N 15 120.169 0.00 . 1 . . . . A 40 LYS N . 31122 1 511 . 1 . 1 41 41 LEU H H 1 8.174 0.00 . 1 . . . . A 41 LEU H . 31122 1 512 . 1 . 1 41 41 LEU HA H 1 4.181 0.00 . 1 . . . . A 41 LEU HA . 31122 1 513 . 1 . 1 41 41 LEU HB2 H 1 1.583 0.00 . 2 . . . . A 41 LEU HB2 . 31122 1 514 . 1 . 1 41 41 LEU HB3 H 1 1.460 0.00 . 2 . . . . A 41 LEU HB3 . 31122 1 515 . 1 . 1 41 41 LEU HG H 1 1.585 0.00 . 1 . . . . A 41 LEU HG . 31122 1 516 . 1 . 1 41 41 LEU HD11 H 1 0.803 0.00 . 1 . . . . A 41 LEU HD11 . 31122 1 517 . 1 . 1 41 41 LEU HD12 H 1 0.803 0.00 . 1 . . . . A 41 LEU HD12 . 31122 1 518 . 1 . 1 41 41 LEU HD13 H 1 0.803 0.00 . 1 . . . . A 41 LEU HD13 . 31122 1 519 . 1 . 1 41 41 LEU HD21 H 1 0.755 0.00 . 1 . . . . A 41 LEU HD21 . 31122 1 520 . 1 . 1 41 41 LEU HD22 H 1 0.755 0.00 . 1 . . . . A 41 LEU HD22 . 31122 1 521 . 1 . 1 41 41 LEU HD23 H 1 0.755 0.00 . 1 . . . . A 41 LEU HD23 . 31122 1 522 . 1 . 1 41 41 LEU C C 13 177.326 0.00 . 1 . . . . A 41 LEU C . 31122 1 523 . 1 . 1 41 41 LEU CA C 13 55.389 0.00 . 1 . . . . A 41 LEU CA . 31122 1 524 . 1 . 1 41 41 LEU CB C 13 42.014 0.00 . 1 . . . . A 41 LEU CB . 31122 1 525 . 1 . 1 41 41 LEU CG C 13 26.948 0.00 . 1 . . . . A 41 LEU CG . 31122 1 526 . 1 . 1 41 41 LEU CD1 C 13 25.323 0.00 . 1 . . . . A 41 LEU CD1 . 31122 1 527 . 1 . 1 41 41 LEU CD2 C 13 23.455 0.00 . 1 . . . . A 41 LEU CD2 . 31122 1 528 . 1 . 1 41 41 LEU N N 15 122.280 0.00 . 1 . . . . A 41 LEU N . 31122 1 529 . 1 . 1 42 42 GLU H H 1 8.315 0.00 . 1 . . . . A 42 GLU H . 31122 1 530 . 1 . 1 42 42 GLU HA H 1 4.157 0.00 . 1 . . . . A 42 GLU HA . 31122 1 531 . 1 . 1 42 42 GLU HB2 H 1 1.981 0.00 . 2 . . . . A 42 GLU HB2 . 31122 1 532 . 1 . 1 42 42 GLU HB3 H 1 1.869 0.00 . 2 . . . . A 42 GLU HB3 . 31122 1 533 . 1 . 1 42 42 GLU HG2 H 1 2.194 0.00 . 2 . . . . A 42 GLU HG2 . 31122 1 534 . 1 . 1 42 42 GLU HG3 H 1 2.194 0.00 . 2 . . . . A 42 GLU HG3 . 31122 1 535 . 1 . 1 42 42 GLU C C 13 176.467 0.00 . 1 . . . . A 42 GLU C . 31122 1 536 . 1 . 1 42 42 GLU CA C 13 57.000 0.00 . 1 . . . . A 42 GLU CA . 31122 1 537 . 1 . 1 42 42 GLU CB C 13 29.898 0.00 . 1 . . . . A 42 GLU CB . 31122 1 538 . 1 . 1 42 42 GLU CG C 13 36.166 0.00 . 1 . . . . A 42 GLU CG . 31122 1 539 . 1 . 1 42 42 GLU N N 15 120.560 0.00 . 1 . . . . A 42 GLU N . 31122 1 540 . 1 . 1 43 43 SER H H 1 8.074 0.00 . 1 . . . . A 43 SER H . 31122 1 541 . 1 . 1 43 43 SER HA H 1 4.292 0.00 . 1 . . . . A 43 SER HA . 31122 1 542 . 1 . 1 43 43 SER HB2 H 1 3.725 0.00 . 2 . . . . A 43 SER HB2 . 31122 1 543 . 1 . 1 43 43 SER HB3 H 1 3.695 0.00 . 2 . . . . A 43 SER HB3 . 31122 1 544 . 1 . 1 43 43 SER C C 13 173.761 0.01 . 1 . . . . A 43 SER C . 31122 1 545 . 1 . 1 43 43 SER CA C 13 58.707 0.00 . 1 . . . . A 43 SER CA . 31122 1 546 . 1 . 1 43 43 SER CB C 13 63.596 0.01 . 1 . . . . A 43 SER CB . 31122 1 547 . 1 . 1 43 43 SER N N 15 115.708 0.01 . 1 . . . . A 43 SER N . 31122 1 548 . 1 . 1 44 44 LYS H H 1 8.166 0.00 . 1 . . . . A 44 LYS H . 31122 1 549 . 1 . 1 44 44 LYS HA H 1 4.452 0.00 . 1 . . . . A 44 LYS HA . 31122 1 550 . 1 . 1 44 44 LYS HB2 H 1 1.712 0.00 . 2 . . . . A 44 LYS HB2 . 31122 1 551 . 1 . 1 44 44 LYS HB3 H 1 1.617 0.00 . 2 . . . . A 44 LYS HB3 . 31122 1 552 . 1 . 1 44 44 LYS HG2 H 1 1.332 0.00 . 2 . . . . A 44 LYS HG2 . 31122 1 553 . 1 . 1 44 44 LYS HG3 H 1 1.233 0.00 . 2 . . . . A 44 LYS HG3 . 31122 1 554 . 1 . 1 44 44 LYS HD2 H 1 1.480 0.00 . 2 . . . . A 44 LYS HD2 . 31122 1 555 . 1 . 1 44 44 LYS HD3 H 1 1.452 0.00 . 2 . . . . A 44 LYS HD3 . 31122 1 556 . 1 . 1 44 44 LYS HE2 H 1 2.805 0.00 . 2 . . . . A 44 LYS HE2 . 31122 1 557 . 1 . 1 44 44 LYS HE3 H 1 2.801 0.00 . 2 . . . . A 44 LYS HE3 . 31122 1 558 . 1 . 1 44 44 LYS C C 13 175.083 0.00 . 1 . . . . A 44 LYS C . 31122 1 559 . 1 . 1 44 44 LYS CA C 13 55.590 0.00 . 1 . . . . A 44 LYS CA . 31122 1 560 . 1 . 1 44 44 LYS CB C 13 34.165 0.01 . 1 . . . . A 44 LYS CB . 31122 1 561 . 1 . 1 44 44 LYS CG C 13 25.035 0.00 . 1 . . . . A 44 LYS CG . 31122 1 562 . 1 . 1 44 44 LYS CD C 13 29.016 0.00 . 1 . . . . A 44 LYS CD . 31122 1 563 . 1 . 1 44 44 LYS CE C 13 42.197 0.01 . 1 . . . . A 44 LYS CE . 31122 1 564 . 1 . 1 44 44 LYS N N 15 120.964 0.03 . 1 . . . . A 44 LYS N . 31122 1 565 . 1 . 1 45 45 LEU H H 1 7.794 0.00 . 1 . . . . A 45 LEU H . 31122 1 566 . 1 . 1 45 45 LEU HA H 1 4.534 0.00 . 1 . . . . A 45 LEU HA . 31122 1 567 . 1 . 1 45 45 LEU HB2 H 1 1.259 0.00 . 2 . . . . A 45 LEU HB2 . 31122 1 568 . 1 . 1 45 45 LEU HB3 H 1 1.209 0.00 . 2 . . . . A 45 LEU HB3 . 31122 1 569 . 1 . 1 45 45 LEU HG H 1 1.215 0.00 . 1 . . . . A 45 LEU HG . 31122 1 570 . 1 . 1 45 45 LEU HD11 H 1 0.154 0.00 . 1 . . . . A 45 LEU HD11 . 31122 1 571 . 1 . 1 45 45 LEU HD12 H 1 0.154 0.00 . 1 . . . . A 45 LEU HD12 . 31122 1 572 . 1 . 1 45 45 LEU HD13 H 1 0.154 0.00 . 1 . . . . A 45 LEU HD13 . 31122 1 573 . 1 . 1 45 45 LEU HD21 H 1 0.338 0.00 . 1 . . . . A 45 LEU HD21 . 31122 1 574 . 1 . 1 45 45 LEU HD22 H 1 0.338 0.00 . 1 . . . . A 45 LEU HD22 . 31122 1 575 . 1 . 1 45 45 LEU HD23 H 1 0.338 0.00 . 1 . . . . A 45 LEU HD23 . 31122 1 576 . 1 . 1 45 45 LEU C C 13 173.711 0.00 . 1 . . . . A 45 LEU C . 31122 1 577 . 1 . 1 45 45 LEU CA C 13 54.185 0.00 . 1 . . . . A 45 LEU CA . 31122 1 578 . 1 . 1 45 45 LEU CB C 13 45.184 0.01 . 1 . . . . A 45 LEU CB . 31122 1 579 . 1 . 1 45 45 LEU CG C 13 26.795 0.00 . 1 . . . . A 45 LEU CG . 31122 1 580 . 1 . 1 45 45 LEU CD1 C 13 25.186 0.00 . 1 . . . . A 45 LEU CD1 . 31122 1 581 . 1 . 1 45 45 LEU CD2 C 13 24.718 0.00 . 1 . . . . A 45 LEU CD2 . 31122 1 582 . 1 . 1 45 45 LEU N N 15 119.143 0.00 . 1 . . . . A 45 LEU N . 31122 1 583 . 1 . 1 46 46 SER H H 1 7.713 0.00 . 1 . . . . A 46 SER H . 31122 1 584 . 1 . 1 46 46 SER HA H 1 5.058 0.00 . 1 . . . . A 46 SER HA . 31122 1 585 . 1 . 1 46 46 SER HB2 H 1 2.929 0.00 . 2 . . . . A 46 SER HB2 . 31122 1 586 . 1 . 1 46 46 SER HB3 H 1 2.583 0.00 . 2 . . . . A 46 SER HB3 . 31122 1 587 . 1 . 1 46 46 SER C C 13 172.978 0.01 . 1 . . . . A 46 SER C . 31122 1 588 . 1 . 1 46 46 SER CA C 13 55.887 0.00 . 1 . . . . A 46 SER CA . 31122 1 589 . 1 . 1 46 46 SER CB C 13 67.275 0.01 . 1 . . . . A 46 SER CB . 31122 1 590 . 1 . 1 46 46 SER N N 15 115.786 0.01 . 1 . . . . A 46 SER N . 31122 1 591 . 1 . 1 47 47 VAL H H 1 7.931 0.00 . 1 . . . . A 47 VAL H . 31122 1 592 . 1 . 1 47 47 VAL HA H 1 4.569 0.00 . 1 . . . . A 47 VAL HA . 31122 1 593 . 1 . 1 47 47 VAL HB H 1 1.300 0.00 . 1 . . . . A 47 VAL HB . 31122 1 594 . 1 . 1 47 47 VAL HG11 H 1 0.484 0.00 . 1 . . . . A 47 VAL HG11 . 31122 1 595 . 1 . 1 47 47 VAL HG12 H 1 0.484 0.00 . 1 . . . . A 47 VAL HG12 . 31122 1 596 . 1 . 1 47 47 VAL HG13 H 1 0.484 0.00 . 1 . . . . A 47 VAL HG13 . 31122 1 597 . 1 . 1 47 47 VAL HG21 H 1 0.471 0.00 . 1 . . . . A 47 VAL HG21 . 31122 1 598 . 1 . 1 47 47 VAL HG22 H 1 0.471 0.00 . 1 . . . . A 47 VAL HG22 . 31122 1 599 . 1 . 1 47 47 VAL HG23 H 1 0.471 0.00 . 1 . . . . A 47 VAL HG23 . 31122 1 600 . 1 . 1 47 47 VAL C C 13 173.291 0.00 . 1 . . . . A 47 VAL C . 31122 1 601 . 1 . 1 47 47 VAL CA C 13 58.686 0.00 . 1 . . . . A 47 VAL CA . 31122 1 602 . 1 . 1 47 47 VAL CB C 13 36.038 0.00 . 1 . . . . A 47 VAL CB . 31122 1 603 . 1 . 1 47 47 VAL CG1 C 13 19.992 0.00 . 1 . . . . A 47 VAL CG1 . 31122 1 604 . 1 . 1 47 47 VAL CG2 C 13 21.472 0.00 . 1 . . . . A 47 VAL CG2 . 31122 1 605 . 1 . 1 47 47 VAL N N 15 120.435 0.00 . 1 . . . . A 47 VAL N . 31122 1 606 . 1 . 1 48 48 ILE H H 1 7.291 0.00 . 1 . . . . A 48 ILE H . 31122 1 607 . 1 . 1 48 48 ILE HA H 1 4.834 0.00 . 1 . . . . A 48 ILE HA . 31122 1 608 . 1 . 1 48 48 ILE HB H 1 1.657 0.00 . 1 . . . . A 48 ILE HB . 31122 1 609 . 1 . 1 48 48 ILE HG12 H 1 1.380 0.00 . 2 . . . . A 48 ILE HG12 . 31122 1 610 . 1 . 1 48 48 ILE HG13 H 1 1.232 0.00 . 2 . . . . A 48 ILE HG13 . 31122 1 611 . 1 . 1 48 48 ILE HG21 H 1 0.901 0.00 . 1 . . . . A 48 ILE HG21 . 31122 1 612 . 1 . 1 48 48 ILE HG22 H 1 0.901 0.00 . 1 . . . . A 48 ILE HG22 . 31122 1 613 . 1 . 1 48 48 ILE HG23 H 1 0.901 0.00 . 1 . . . . A 48 ILE HG23 . 31122 1 614 . 1 . 1 48 48 ILE HD11 H 1 0.819 0.00 . 1 . . . . A 48 ILE HD11 . 31122 1 615 . 1 . 1 48 48 ILE HD12 H 1 0.819 0.00 . 1 . . . . A 48 ILE HD12 . 31122 1 616 . 1 . 1 48 48 ILE HD13 H 1 0.819 0.00 . 1 . . . . A 48 ILE HD13 . 31122 1 617 . 1 . 1 48 48 ILE C C 13 173.607 0.03 . 1 . . . . A 48 ILE C . 31122 1 618 . 1 . 1 48 48 ILE CA C 13 57.329 0.00 . 1 . . . . A 48 ILE CA . 31122 1 619 . 1 . 1 48 48 ILE CB C 13 40.442 0.00 . 1 . . . . A 48 ILE CB . 31122 1 620 . 1 . 1 48 48 ILE CG1 C 13 29.203 0.01 . 1 . . . . A 48 ILE CG1 . 31122 1 621 . 1 . 1 48 48 ILE CG2 C 13 18.803 0.00 . 1 . . . . A 48 ILE CG2 . 31122 1 622 . 1 . 1 48 48 ILE CD1 C 13 14.599 0.00 . 1 . . . . A 48 ILE CD1 . 31122 1 623 . 1 . 1 48 48 ILE N N 15 122.792 0.02 . 1 . . . . A 48 ILE N . 31122 1 624 . 1 . 1 49 49 ARG H H 1 8.347 0.01 . 1 . . . . A 49 ARG H . 31122 1 625 . 1 . 1 49 49 ARG HA H 1 4.360 0.00 . 1 . . . . A 49 ARG HA . 31122 1 626 . 1 . 1 49 49 ARG HB2 H 1 1.767 0.00 . 2 . . . . A 49 ARG HB2 . 31122 1 627 . 1 . 1 49 49 ARG HB3 H 1 1.695 0.00 . 2 . . . . A 49 ARG HB3 . 31122 1 628 . 1 . 1 49 49 ARG HG2 H 1 1.601 0.00 . 2 . . . . A 49 ARG HG2 . 31122 1 629 . 1 . 1 49 49 ARG HG3 H 1 1.454 0.00 . 2 . . . . A 49 ARG HG3 . 31122 1 630 . 1 . 1 49 49 ARG HD2 H 1 2.969 0.00 . 2 . . . . A 49 ARG HD2 . 31122 1 631 . 1 . 1 49 49 ARG HD3 H 1 2.969 0.00 . 2 . . . . A 49 ARG HD3 . 31122 1 632 . 1 . 1 49 49 ARG C C 13 176.221 0.00 . 1 . . . . A 49 ARG C . 31122 1 633 . 1 . 1 49 49 ARG CA C 13 54.812 0.00 . 1 . . . . A 49 ARG CA . 31122 1 634 . 1 . 1 49 49 ARG CB C 13 30.989 0.00 . 1 . . . . A 49 ARG CB . 31122 1 635 . 1 . 1 49 49 ARG CG C 13 26.919 0.03 . 1 . . . . A 49 ARG CG . 31122 1 636 . 1 . 1 49 49 ARG CD C 13 42.847 0.00 . 1 . . . . A 49 ARG CD . 31122 1 637 . 1 . 1 49 49 ARG N N 15 126.996 0.02 . 1 . . . . A 49 ARG N . 31122 1 638 . 1 . 1 50 50 ASN H H 1 9.075 0.00 . 1 . . . . A 50 ASN H . 31122 1 639 . 1 . 1 50 50 ASN HA H 1 4.826 0.00 . 1 . . . . A 50 ASN HA . 31122 1 640 . 1 . 1 50 50 ASN HB2 H 1 3.086 0.00 . 2 . . . . A 50 ASN HB2 . 31122 1 641 . 1 . 1 50 50 ASN HB3 H 1 2.584 0.00 . 2 . . . . A 50 ASN HB3 . 31122 1 642 . 1 . 1 50 50 ASN HD21 H 1 7.787 0.00 . 2 . . . . A 50 ASN HD21 . 31122 1 643 . 1 . 1 50 50 ASN HD22 H 1 6.865 0.00 . 2 . . . . A 50 ASN HD22 . 31122 1 644 . 1 . 1 50 50 ASN C C 13 175.021 0.00 . 1 . . . . A 50 ASN C . 31122 1 645 . 1 . 1 50 50 ASN CA C 13 52.732 0.00 . 1 . . . . A 50 ASN CA . 31122 1 646 . 1 . 1 50 50 ASN CB C 13 37.126 0.01 . 1 . . . . A 50 ASN CB . 31122 1 647 . 1 . 1 50 50 ASN CG C 13 175.841 0.01 . 1 . . . . A 50 ASN CG . 31122 1 648 . 1 . 1 50 50 ASN N N 15 121.791 0.00 . 1 . . . . A 50 ASN N . 31122 1 649 . 1 . 1 50 50 ASN ND2 N 15 110.039 0.00 . 1 . . . . A 50 ASN ND2 . 31122 1 650 . 1 . 1 51 51 LEU H H 1 7.294 0.00 . 1 . . . . A 51 LEU H . 31122 1 651 . 1 . 1 51 51 LEU HA H 1 4.424 0.00 . 1 . . . . A 51 LEU HA . 31122 1 652 . 1 . 1 51 51 LEU HB2 H 1 1.567 0.00 . 2 . . . . A 51 LEU HB2 . 31122 1 653 . 1 . 1 51 51 LEU HB3 H 1 1.459 0.00 . 2 . . . . A 51 LEU HB3 . 31122 1 654 . 1 . 1 51 51 LEU HG H 1 1.451 0.00 . 1 . . . . A 51 LEU HG . 31122 1 655 . 1 . 1 51 51 LEU HD11 H 1 0.945 0.00 . 1 . . . . A 51 LEU HD11 . 31122 1 656 . 1 . 1 51 51 LEU HD12 H 1 0.945 0.00 . 1 . . . . A 51 LEU HD12 . 31122 1 657 . 1 . 1 51 51 LEU HD13 H 1 0.945 0.00 . 1 . . . . A 51 LEU HD13 . 31122 1 658 . 1 . 1 51 51 LEU HD21 H 1 0.838 0.00 . 1 . . . . A 51 LEU HD21 . 31122 1 659 . 1 . 1 51 51 LEU HD22 H 1 0.838 0.00 . 1 . . . . A 51 LEU HD22 . 31122 1 660 . 1 . 1 51 51 LEU HD23 H 1 0.838 0.00 . 1 . . . . A 51 LEU HD23 . 31122 1 661 . 1 . 1 51 51 LEU C C 13 177.032 0.00 . 1 . . . . A 51 LEU C . 31122 1 662 . 1 . 1 51 51 LEU CA C 13 54.190 0.00 . 1 . . . . A 51 LEU CA . 31122 1 663 . 1 . 1 51 51 LEU CB C 13 42.673 0.01 . 1 . . . . A 51 LEU CB . 31122 1 664 . 1 . 1 51 51 LEU CG C 13 27.292 0.00 . 1 . . . . A 51 LEU CG . 31122 1 665 . 1 . 1 51 51 LEU CD1 C 13 25.282 0.00 . 1 . . . . A 51 LEU CD1 . 31122 1 666 . 1 . 1 51 51 LEU CD2 C 13 23.348 0.00 . 1 . . . . A 51 LEU CD2 . 31122 1 667 . 1 . 1 51 51 LEU N N 15 124.662 0.00 . 1 . . . . A 51 LEU N . 31122 1 668 . 1 . 1 52 52 ASN H H 1 9.057 0.00 . 1 . . . . A 52 ASN H . 31122 1 669 . 1 . 1 52 52 ASN HA H 1 4.276 0.00 . 1 . . . . A 52 ASN HA . 31122 1 670 . 1 . 1 52 52 ASN HB2 H 1 2.837 0.00 . 2 . . . . A 52 ASN HB2 . 31122 1 671 . 1 . 1 52 52 ASN HB3 H 1 2.704 0.00 . 2 . . . . A 52 ASN HB3 . 31122 1 672 . 1 . 1 52 52 ASN HD21 H 1 7.620 0.00 . 1 . . . . A 52 ASN HD21 . 31122 1 673 . 1 . 1 52 52 ASN HD22 H 1 6.888 0.00 . 1 . . . . A 52 ASN HD22 . 31122 1 674 . 1 . 1 52 52 ASN C C 13 174.110 0.00 . 1 . . . . A 52 ASN C . 31122 1 675 . 1 . 1 52 52 ASN CA C 13 54.285 0.00 . 1 . . . . A 52 ASN CA . 31122 1 676 . 1 . 1 52 52 ASN CB C 13 37.422 0.01 . 1 . . . . A 52 ASN CB . 31122 1 677 . 1 . 1 52 52 ASN CG C 13 178.291 0.01 . 1 . . . . A 52 ASN CG . 31122 1 678 . 1 . 1 52 52 ASN N N 15 118.906 0.01 . 1 . . . . A 52 ASN N . 31122 1 679 . 1 . 1 52 52 ASN ND2 N 15 113.823 0.00 . 1 . . . . A 52 ASN ND2 . 31122 1 680 . 1 . 1 53 53 ASP H H 1 8.460 0.00 . 1 . . . . A 53 ASP H . 31122 1 681 . 1 . 1 53 53 ASP HA H 1 4.522 0.00 . 1 . . . . A 53 ASP HA . 31122 1 682 . 1 . 1 53 53 ASP HB2 H 1 2.843 0.00 . 2 . . . . A 53 ASP HB2 . 31122 1 683 . 1 . 1 53 53 ASP HB3 H 1 2.617 0.00 . 2 . . . . A 53 ASP HB3 . 31122 1 684 . 1 . 1 53 53 ASP C C 13 175.290 0.00 . 1 . . . . A 53 ASP C . 31122 1 685 . 1 . 1 53 53 ASP CA C 13 55.899 0.00 . 1 . . . . A 53 ASP CA . 31122 1 686 . 1 . 1 53 53 ASP CB C 13 39.469 0.01 . 1 . . . . A 53 ASP CB . 31122 1 687 . 1 . 1 53 53 ASP N N 15 113.240 0.01 . 1 . . . . A 53 ASP N . 31122 1 688 . 1 . 1 54 54 GLN H H 1 7.369 0.00 . 1 . . . . A 54 GLN H . 31122 1 689 . 1 . 1 54 54 GLN HA H 1 4.548 0.00 . 1 . . . . A 54 GLN HA . 31122 1 690 . 1 . 1 54 54 GLN HB2 H 1 2.463 0.00 . 2 . . . . A 54 GLN HB2 . 31122 1 691 . 1 . 1 54 54 GLN HB3 H 1 2.016 0.00 . 2 . . . . A 54 GLN HB3 . 31122 1 692 . 1 . 1 54 54 GLN HG2 H 1 2.786 0.00 . 2 . . . . A 54 GLN HG2 . 31122 1 693 . 1 . 1 54 54 GLN HG3 H 1 2.292 0.00 . 2 . . . . A 54 GLN HG3 . 31122 1 694 . 1 . 1 54 54 GLN HE21 H 1 7.902 0.00 . 1 . . . . A 54 GLN HE21 . 31122 1 695 . 1 . 1 54 54 GLN HE22 H 1 6.577 0.00 . 1 . . . . A 54 GLN HE22 . 31122 1 696 . 1 . 1 54 54 GLN C C 13 173.693 0.00 . 1 . . . . A 54 GLN C . 31122 1 697 . 1 . 1 54 54 GLN CA C 13 56.063 0.00 . 1 . . . . A 54 GLN CA . 31122 1 698 . 1 . 1 54 54 GLN CB C 13 28.160 0.02 . 1 . . . . A 54 GLN CB . 31122 1 699 . 1 . 1 54 54 GLN CG C 13 32.841 0.03 . 1 . . . . A 54 GLN CG . 31122 1 700 . 1 . 1 54 54 GLN CD C 13 179.898 0.00 . 1 . . . . A 54 GLN CD . 31122 1 701 . 1 . 1 54 54 GLN N N 15 112.649 0.01 . 1 . . . . A 54 GLN N . 31122 1 702 . 1 . 1 54 54 GLN NE2 N 15 107.681 0.00 . 1 . . . . A 54 GLN NE2 . 31122 1 703 . 1 . 1 55 55 VAL H H 1 7.806 0.00 . 1 . . . . A 55 VAL H . 31122 1 704 . 1 . 1 55 55 VAL HA H 1 5.023 0.00 . 1 . . . . A 55 VAL HA . 31122 1 705 . 1 . 1 55 55 VAL HB H 1 1.701 0.00 . 1 . . . . A 55 VAL HB . 31122 1 706 . 1 . 1 55 55 VAL HG11 H 1 0.652 0.00 . 1 . . . . A 55 VAL HG11 . 31122 1 707 . 1 . 1 55 55 VAL HG12 H 1 0.652 0.00 . 1 . . . . A 55 VAL HG12 . 31122 1 708 . 1 . 1 55 55 VAL HG13 H 1 0.652 0.00 . 1 . . . . A 55 VAL HG13 . 31122 1 709 . 1 . 1 55 55 VAL HG21 H 1 0.823 0.00 . 1 . . . . A 55 VAL HG21 . 31122 1 710 . 1 . 1 55 55 VAL HG22 H 1 0.823 0.00 . 1 . . . . A 55 VAL HG22 . 31122 1 711 . 1 . 1 55 55 VAL HG23 H 1 0.823 0.00 . 1 . . . . A 55 VAL HG23 . 31122 1 712 . 1 . 1 55 55 VAL C C 13 174.338 0.01 . 1 . . . . A 55 VAL C . 31122 1 713 . 1 . 1 55 55 VAL CA C 13 61.246 0.00 . 1 . . . . A 55 VAL CA . 31122 1 714 . 1 . 1 55 55 VAL CB C 13 33.716 0.00 . 1 . . . . A 55 VAL CB . 31122 1 715 . 1 . 1 55 55 VAL CG1 C 13 21.827 0.00 . 1 . . . . A 55 VAL CG1 . 31122 1 716 . 1 . 1 55 55 VAL CG2 C 13 22.011 0.00 . 1 . . . . A 55 VAL CG2 . 31122 1 717 . 1 . 1 55 55 VAL N N 15 120.811 0.01 . 1 . . . . A 55 VAL N . 31122 1 718 . 1 . 1 56 56 LEU H H 1 8.892 0.00 . 1 . . . . A 56 LEU H . 31122 1 719 . 1 . 1 56 56 LEU HA H 1 4.613 0.00 . 1 . . . . A 56 LEU HA . 31122 1 720 . 1 . 1 56 56 LEU HB2 H 1 1.330 0.00 . 2 . . . . A 56 LEU HB2 . 31122 1 721 . 1 . 1 56 56 LEU HB3 H 1 1.330 0.00 . 2 . . . . A 56 LEU HB3 . 31122 1 722 . 1 . 1 56 56 LEU HG H 1 1.320 0.00 . 1 . . . . A 56 LEU HG . 31122 1 723 . 1 . 1 56 56 LEU HD11 H 1 0.799 0.00 . 1 . . . . A 56 LEU HD11 . 31122 1 724 . 1 . 1 56 56 LEU HD12 H 1 0.799 0.00 . 1 . . . . A 56 LEU HD12 . 31122 1 725 . 1 . 1 56 56 LEU HD13 H 1 0.799 0.00 . 1 . . . . A 56 LEU HD13 . 31122 1 726 . 1 . 1 56 56 LEU HD21 H 1 0.750 0.00 . 1 . . . . A 56 LEU HD21 . 31122 1 727 . 1 . 1 56 56 LEU HD22 H 1 0.750 0.00 . 1 . . . . A 56 LEU HD22 . 31122 1 728 . 1 . 1 56 56 LEU HD23 H 1 0.750 0.00 . 1 . . . . A 56 LEU HD23 . 31122 1 729 . 1 . 1 56 56 LEU C C 13 174.057 0.00 . 1 . . . . A 56 LEU C . 31122 1 730 . 1 . 1 56 56 LEU CA C 13 53.068 0.00 . 1 . . . . A 56 LEU CA . 31122 1 731 . 1 . 1 56 56 LEU CB C 13 45.733 0.00 . 1 . . . . A 56 LEU CB . 31122 1 732 . 1 . 1 56 56 LEU CG C 13 26.834 0.00 . 1 . . . . A 56 LEU CG . 31122 1 733 . 1 . 1 56 56 LEU CD1 C 13 24.660 0.00 . 1 . . . . A 56 LEU CD1 . 31122 1 734 . 1 . 1 56 56 LEU CD2 C 13 24.441 0.00 . 1 . . . . A 56 LEU CD2 . 31122 1 735 . 1 . 1 56 56 LEU N N 15 128.028 0.00 . 1 . . . . A 56 LEU N . 31122 1 736 . 1 . 1 57 57 PHE H H 1 8.596 0.00 . 1 . . . . A 57 PHE H . 31122 1 737 . 1 . 1 57 57 PHE HA H 1 5.242 0.00 . 1 . . . . A 57 PHE HA . 31122 1 738 . 1 . 1 57 57 PHE HB2 H 1 2.954 0.00 . 2 . . . . A 57 PHE HB2 . 31122 1 739 . 1 . 1 57 57 PHE HB3 H 1 2.842 0.00 . 2 . . . . A 57 PHE HB3 . 31122 1 740 . 1 . 1 57 57 PHE HD1 H 1 7.288 0.00 . 3 . . . . A 57 PHE HD1 . 31122 1 741 . 1 . 1 57 57 PHE HD2 H 1 7.288 0.00 . 3 . . . . A 57 PHE HD2 . 31122 1 742 . 1 . 1 57 57 PHE HE1 H 1 7.290 0.00 . 3 . . . . A 57 PHE HE1 . 31122 1 743 . 1 . 1 57 57 PHE HE2 H 1 7.291 0.00 . 3 . . . . A 57 PHE HE2 . 31122 1 744 . 1 . 1 57 57 PHE HZ H 1 7.121 0.00 . 1 . . . . A 57 PHE HZ . 31122 1 745 . 1 . 1 57 57 PHE C C 13 176.044 0.00 . 1 . . . . A 57 PHE C . 31122 1 746 . 1 . 1 57 57 PHE CA C 13 56.637 0.00 . 1 . . . . A 57 PHE CA . 31122 1 747 . 1 . 1 57 57 PHE CB C 13 40.028 0.03 . 1 . . . . A 57 PHE CB . 31122 1 748 . 1 . 1 57 57 PHE CD1 C 13 132.272 0.00 . 3 . . . . A 57 PHE CD1 . 31122 1 749 . 1 . 1 57 57 PHE CD2 C 13 132.272 0.00 . 3 . . . . A 57 PHE CD2 . 31122 1 750 . 1 . 1 57 57 PHE CE1 C 13 131.199 0.00 . 3 . . . . A 57 PHE CE1 . 31122 1 751 . 1 . 1 57 57 PHE CE2 C 13 131.216 0.00 . 3 . . . . A 57 PHE CE2 . 31122 1 752 . 1 . 1 57 57 PHE CZ C 13 129.508 0.00 . 1 . . . . A 57 PHE CZ . 31122 1 753 . 1 . 1 57 57 PHE N N 15 122.854 0.01 . 1 . . . . A 57 PHE N . 31122 1 754 . 1 . 1 58 58 ILE H H 1 9.111 0.00 . 1 . . . . A 58 ILE H . 31122 1 755 . 1 . 1 58 58 ILE HA H 1 4.491 0.00 . 1 . . . . A 58 ILE HA . 31122 1 756 . 1 . 1 58 58 ILE HB H 1 1.775 0.00 . 1 . . . . A 58 ILE HB . 31122 1 757 . 1 . 1 58 58 ILE HG12 H 1 1.199 0.00 . 2 . . . . A 58 ILE HG12 . 31122 1 758 . 1 . 1 58 58 ILE HG13 H 1 0.900 0.00 . 2 . . . . A 58 ILE HG13 . 31122 1 759 . 1 . 1 58 58 ILE HG21 H 1 0.693 0.00 . 1 . . . . A 58 ILE HG21 . 31122 1 760 . 1 . 1 58 58 ILE HG22 H 1 0.693 0.00 . 1 . . . . A 58 ILE HG22 . 31122 1 761 . 1 . 1 58 58 ILE HG23 H 1 0.693 0.00 . 1 . . . . A 58 ILE HG23 . 31122 1 762 . 1 . 1 58 58 ILE HD11 H 1 0.565 0.00 . 1 . . . . A 58 ILE HD11 . 31122 1 763 . 1 . 1 58 58 ILE HD12 H 1 0.565 0.00 . 1 . . . . A 58 ILE HD12 . 31122 1 764 . 1 . 1 58 58 ILE HD13 H 1 0.565 0.00 . 1 . . . . A 58 ILE HD13 . 31122 1 765 . 1 . 1 58 58 ILE C C 13 174.202 0.00 . 1 . . . . A 58 ILE C . 31122 1 766 . 1 . 1 58 58 ILE CA C 13 59.089 0.00 . 1 . . . . A 58 ILE CA . 31122 1 767 . 1 . 1 58 58 ILE CB C 13 40.335 0.00 . 1 . . . . A 58 ILE CB . 31122 1 768 . 1 . 1 58 58 ILE CG1 C 13 26.678 0.01 . 1 . . . . A 58 ILE CG1 . 31122 1 769 . 1 . 1 58 58 ILE CG2 C 13 17.504 0.00 . 1 . . . . A 58 ILE CG2 . 31122 1 770 . 1 . 1 58 58 ILE CD1 C 13 12.936 0.00 . 1 . . . . A 58 ILE CD1 . 31122 1 771 . 1 . 1 58 58 ILE N N 15 121.989 0.02 . 1 . . . . A 58 ILE N . 31122 1 772 . 1 . 1 59 59 ASP H H 1 8.651 0.00 . 1 . . . . A 59 ASP H . 31122 1 773 . 1 . 1 59 59 ASP HA H 1 4.732 0.00 . 1 . . . . A 59 ASP HA . 31122 1 774 . 1 . 1 59 59 ASP HB2 H 1 2.678 0.00 . 2 . . . . A 59 ASP HB2 . 31122 1 775 . 1 . 1 59 59 ASP HB3 H 1 2.564 0.00 . 2 . . . . A 59 ASP HB3 . 31122 1 776 . 1 . 1 59 59 ASP C C 13 176.390 0.00 . 1 . . . . A 59 ASP C . 31122 1 777 . 1 . 1 59 59 ASP CA C 13 53.059 0.00 . 1 . . . . A 59 ASP CA . 31122 1 778 . 1 . 1 59 59 ASP CB C 13 41.911 0.04 . 1 . . . . A 59 ASP CB . 31122 1 779 . 1 . 1 59 59 ASP N N 15 125.606 0.00 . 1 . . . . A 59 ASP N . 31122 1 780 . 1 . 1 60 60 GLN H H 1 8.309 0.00 . 1 . . . . A 60 GLN H . 31122 1 781 . 1 . 1 60 60 GLN HA H 1 3.848 0.00 . 1 . . . . A 60 GLN HA . 31122 1 782 . 1 . 1 60 60 GLN HB2 H 1 1.930 0.00 . 2 . . . . A 60 GLN HB2 . 31122 1 783 . 1 . 1 60 60 GLN HB3 H 1 1.737 0.00 . 2 . . . . A 60 GLN HB3 . 31122 1 784 . 1 . 1 60 60 GLN HG2 H 1 2.094 0.00 . 2 . . . . A 60 GLN HG2 . 31122 1 785 . 1 . 1 60 60 GLN HG3 H 1 2.099 0.00 . 2 . . . . A 60 GLN HG3 . 31122 1 786 . 1 . 1 60 60 GLN HE21 H 1 7.200 0.00 . 2 . . . . A 60 GLN HE21 . 31122 1 787 . 1 . 1 60 60 GLN HE22 H 1 6.682 0.00 . 2 . . . . A 60 GLN HE22 . 31122 1 788 . 1 . 1 60 60 GLN C C 13 176.697 0.01 . 1 . . . . A 60 GLN C . 31122 1 789 . 1 . 1 60 60 GLN CA C 13 57.473 0.00 . 1 . . . . A 60 GLN CA . 31122 1 790 . 1 . 1 60 60 GLN CB C 13 28.334 0.01 . 1 . . . . A 60 GLN CB . 31122 1 791 . 1 . 1 60 60 GLN CG C 13 33.316 0.01 . 1 . . . . A 60 GLN CG . 31122 1 792 . 1 . 1 60 60 GLN CD C 13 179.596 0.01 . 1 . . . . A 60 GLN CD . 31122 1 793 . 1 . 1 60 60 GLN N N 15 121.973 0.04 . 1 . . . . A 60 GLN N . 31122 1 794 . 1 . 1 60 60 GLN NE2 N 15 111.172 0.00 . 1 . . . . A 60 GLN NE2 . 31122 1 795 . 1 . 1 61 61 GLY H H 1 8.485 0.00 . 1 . . . . A 61 GLY H . 31122 1 796 . 1 . 1 61 61 GLY HA2 H 1 3.845 0.00 . 2 . . . . A 61 GLY HA2 . 31122 1 797 . 1 . 1 61 61 GLY HA3 H 1 3.855 0.00 . 2 . . . . A 61 GLY HA3 . 31122 1 798 . 1 . 1 61 61 GLY C C 13 174.177 0.00 . 1 . . . . A 61 GLY C . 31122 1 799 . 1 . 1 61 61 GLY CA C 13 45.607 0.00 . 1 . . . . A 61 GLY CA . 31122 1 800 . 1 . 1 61 61 GLY N N 15 108.014 0.01 . 1 . . . . A 61 GLY N . 31122 1 801 . 1 . 1 62 62 ASN H H 1 7.829 0.00 . 1 . . . . A 62 ASN H . 31122 1 802 . 1 . 1 62 62 ASN HA H 1 4.779 0.00 . 1 . . . . A 62 ASN HA . 31122 1 803 . 1 . 1 62 62 ASN HB2 H 1 2.748 0.00 . 2 . . . . A 62 ASN HB2 . 31122 1 804 . 1 . 1 62 62 ASN HB3 H 1 2.666 0.00 . 2 . . . . A 62 ASN HB3 . 31122 1 805 . 1 . 1 62 62 ASN HD21 H 1 7.578 0.00 . 2 . . . . A 62 ASN HD21 . 31122 1 806 . 1 . 1 62 62 ASN HD22 H 1 6.810 0.00 . 2 . . . . A 62 ASN HD22 . 31122 1 807 . 1 . 1 62 62 ASN C C 13 174.307 0.01 . 1 . . . . A 62 ASN C . 31122 1 808 . 1 . 1 62 62 ASN CA C 13 52.341 0.00 . 1 . . . . A 62 ASN CA . 31122 1 809 . 1 . 1 62 62 ASN CB C 13 38.930 0.00 . 1 . . . . A 62 ASN CB . 31122 1 810 . 1 . 1 62 62 ASN CG C 13 177.159 0.01 . 1 . . . . A 62 ASN CG . 31122 1 811 . 1 . 1 62 62 ASN N N 15 119.154 0.00 . 1 . . . . A 62 ASN N . 31122 1 812 . 1 . 1 62 62 ASN ND2 N 15 112.239 0.00 . 1 . . . . A 62 ASN ND2 . 31122 1 813 . 1 . 1 63 63 ARG H H 1 8.094 0.00 . 1 . . . . A 63 ARG H . 31122 1 814 . 1 . 1 63 63 ARG HA H 1 4.332 0.00 . 1 . . . . A 63 ARG HA . 31122 1 815 . 1 . 1 63 63 ARG HB2 H 1 1.728 0.00 . 2 . . . . A 63 ARG HB2 . 31122 1 816 . 1 . 1 63 63 ARG HB3 H 1 1.677 0.00 . 2 . . . . A 63 ARG HB3 . 31122 1 817 . 1 . 1 63 63 ARG HG2 H 1 1.551 0.00 . 2 . . . . A 63 ARG HG2 . 31122 1 818 . 1 . 1 63 63 ARG HG3 H 1 1.551 0.00 . 2 . . . . A 63 ARG HG3 . 31122 1 819 . 1 . 1 63 63 ARG HD2 H 1 3.100 0.00 . 2 . . . . A 63 ARG HD2 . 31122 1 820 . 1 . 1 63 63 ARG HD3 H 1 3.100 0.00 . 2 . . . . A 63 ARG HD3 . 31122 1 821 . 1 . 1 63 63 ARG C C 13 174.064 0.00 . 1 . . . . A 63 ARG C . 31122 1 822 . 1 . 1 63 63 ARG CA C 13 55.298 0.00 . 1 . . . . A 63 ARG CA . 31122 1 823 . 1 . 1 63 63 ARG CB C 13 29.804 0.01 . 1 . . . . A 63 ARG CB . 31122 1 824 . 1 . 1 63 63 ARG CG C 13 26.988 0.00 . 1 . . . . A 63 ARG CG . 31122 1 825 . 1 . 1 63 63 ARG CD C 13 43.243 0.00 . 1 . . . . A 63 ARG CD . 31122 1 826 . 1 . 1 63 63 ARG N N 15 122.081 0.00 . 1 . . . . A 63 ARG N . 31122 1 827 . 1 . 1 64 64 PRO HA H 1 4.268 0.00 . 1 . . . . A 64 PRO HA . 31122 1 828 . 1 . 1 64 64 PRO HB2 H 1 2.032 0.00 . 2 . . . . A 64 PRO HB2 . 31122 1 829 . 1 . 1 64 64 PRO HB3 H 1 1.426 0.00 . 2 . . . . A 64 PRO HB3 . 31122 1 830 . 1 . 1 64 64 PRO HG2 H 1 1.803 0.00 . 2 . . . . A 64 PRO HG2 . 31122 1 831 . 1 . 1 64 64 PRO HG3 H 1 1.707 0.00 . 2 . . . . A 64 PRO HG3 . 31122 1 832 . 1 . 1 64 64 PRO HD2 H 1 3.672 0.00 . 2 . . . . A 64 PRO HD2 . 31122 1 833 . 1 . 1 64 64 PRO HD3 H 1 3.387 0.00 . 2 . . . . A 64 PRO HD3 . 31122 1 834 . 1 . 1 64 64 PRO C C 13 176.127 0.00 . 1 . . . . A 64 PRO C . 31122 1 835 . 1 . 1 64 64 PRO CA C 13 63.039 0.00 . 1 . . . . A 64 PRO CA . 31122 1 836 . 1 . 1 64 64 PRO CB C 13 31.664 0.01 . 1 . . . . A 64 PRO CB . 31122 1 837 . 1 . 1 64 64 PRO CG C 13 27.313 0.01 . 1 . . . . A 64 PRO CG . 31122 1 838 . 1 . 1 64 64 PRO CD C 13 50.453 0.01 . 1 . . . . A 64 PRO CD . 31122 1 839 . 1 . 1 65 65 LEU H H 1 7.989 0.00 . 1 . . . . A 65 LEU H . 31122 1 840 . 1 . 1 65 65 LEU HA H 1 4.121 0.00 . 1 . . . . A 65 LEU HA . 31122 1 841 . 1 . 1 65 65 LEU HB2 H 1 1.460 0.00 . 2 . . . . A 65 LEU HB2 . 31122 1 842 . 1 . 1 65 65 LEU HB3 H 1 1.343 0.00 . 2 . . . . A 65 LEU HB3 . 31122 1 843 . 1 . 1 65 65 LEU HG H 1 1.455 0.00 . 1 . . . . A 65 LEU HG . 31122 1 844 . 1 . 1 65 65 LEU HD11 H 1 0.792 0.00 . 1 . . . . A 65 LEU HD11 . 31122 1 845 . 1 . 1 65 65 LEU HD12 H 1 0.792 0.00 . 1 . . . . A 65 LEU HD12 . 31122 1 846 . 1 . 1 65 65 LEU HD13 H 1 0.792 0.00 . 1 . . . . A 65 LEU HD13 . 31122 1 847 . 1 . 1 65 65 LEU HD21 H 1 0.721 0.00 . 1 . . . . A 65 LEU HD21 . 31122 1 848 . 1 . 1 65 65 LEU HD22 H 1 0.721 0.00 . 1 . . . . A 65 LEU HD22 . 31122 1 849 . 1 . 1 65 65 LEU HD23 H 1 0.721 0.00 . 1 . . . . A 65 LEU HD23 . 31122 1 850 . 1 . 1 65 65 LEU C C 13 177.298 0.00 . 1 . . . . A 65 LEU C . 31122 1 851 . 1 . 1 65 65 LEU CA C 13 55.073 0.00 . 1 . . . . A 65 LEU CA . 31122 1 852 . 1 . 1 65 65 LEU CB C 13 41.856 0.02 . 1 . . . . A 65 LEU CB . 31122 1 853 . 1 . 1 65 65 LEU CG C 13 26.989 0.00 . 1 . . . . A 65 LEU CG . 31122 1 854 . 1 . 1 65 65 LEU CD1 C 13 24.896 0.00 . 1 . . . . A 65 LEU CD1 . 31122 1 855 . 1 . 1 65 65 LEU CD2 C 13 23.740 0.00 . 1 . . . . A 65 LEU CD2 . 31122 1 856 . 1 . 1 65 65 LEU N N 15 120.244 0.04 . 1 . . . . A 65 LEU N . 31122 1 857 . 1 . 1 66 66 PHE H H 1 7.943 0.00 . 1 . . . . A 66 PHE H . 31122 1 858 . 1 . 1 66 66 PHE HA H 1 4.410 0.00 . 1 . . . . A 66 PHE HA . 31122 1 859 . 1 . 1 66 66 PHE HB2 H 1 3.034 0.00 . 2 . . . . A 66 PHE HB2 . 31122 1 860 . 1 . 1 66 66 PHE HB3 H 1 2.854 0.00 . 2 . . . . A 66 PHE HB3 . 31122 1 861 . 1 . 1 66 66 PHE HD1 H 1 7.117 0.00 . 3 . . . . A 66 PHE HD1 . 31122 1 862 . 1 . 1 66 66 PHE HD2 H 1 7.117 0.00 . 3 . . . . A 66 PHE HD2 . 31122 1 863 . 1 . 1 66 66 PHE HE1 H 1 7.102 0.00 . 3 . . . . A 66 PHE HE1 . 31122 1 864 . 1 . 1 66 66 PHE HE2 H 1 7.103 0.00 . 3 . . . . A 66 PHE HE2 . 31122 1 865 . 1 . 1 66 66 PHE HZ H 1 6.972 0.00 . 1 . . . . A 66 PHE HZ . 31122 1 866 . 1 . 1 66 66 PHE C C 13 176.179 0.01 . 1 . . . . A 66 PHE C . 31122 1 867 . 1 . 1 66 66 PHE CA C 13 58.259 0.00 . 1 . . . . A 66 PHE CA . 31122 1 868 . 1 . 1 66 66 PHE CB C 13 39.263 0.01 . 1 . . . . A 66 PHE CB . 31122 1 869 . 1 . 1 66 66 PHE CD1 C 13 131.927 0.00 . 3 . . . . A 66 PHE CD1 . 31122 1 870 . 1 . 1 66 66 PHE CD2 C 13 131.927 0.00 . 3 . . . . A 66 PHE CD2 . 31122 1 871 . 1 . 1 66 66 PHE CE1 C 13 130.929 0.00 . 3 . . . . A 66 PHE CE1 . 31122 1 872 . 1 . 1 66 66 PHE CE2 C 13 130.926 0.00 . 3 . . . . A 66 PHE CE2 . 31122 1 873 . 1 . 1 66 66 PHE CZ C 13 129.025 0.00 . 1 . . . . A 66 PHE CZ . 31122 1 874 . 1 . 1 66 66 PHE N N 15 119.803 0.02 . 1 . . . . A 66 PHE N . 31122 1 875 . 1 . 1 67 67 GLU H H 1 8.417 0.00 . 1 . . . . A 67 GLU H . 31122 1 876 . 1 . 1 67 67 GLU HA H 1 4.089 0.00 . 1 . . . . A 67 GLU HA . 31122 1 877 . 1 . 1 67 67 GLU HB2 H 1 1.921 0.00 . 2 . . . . A 67 GLU HB2 . 31122 1 878 . 1 . 1 67 67 GLU HB3 H 1 1.816 0.00 . 2 . . . . A 67 GLU HB3 . 31122 1 879 . 1 . 1 67 67 GLU HG2 H 1 2.125 0.00 . 2 . . . . A 67 GLU HG2 . 31122 1 880 . 1 . 1 67 67 GLU HG3 H 1 2.125 0.00 . 2 . . . . A 67 GLU HG3 . 31122 1 881 . 1 . 1 67 67 GLU C C 13 176.195 0.00 . 1 . . . . A 67 GLU C . 31122 1 882 . 1 . 1 67 67 GLU CA C 13 57.172 0.00 . 1 . . . . A 67 GLU CA . 31122 1 883 . 1 . 1 67 67 GLU CB C 13 30.150 0.00 . 1 . . . . A 67 GLU CB . 31122 1 884 . 1 . 1 67 67 GLU CG C 13 36.363 0.00 . 1 . . . . A 67 GLU CG . 31122 1 885 . 1 . 1 67 67 GLU N N 15 121.048 0.00 . 1 . . . . A 67 GLU N . 31122 1 886 . 1 . 1 68 68 ASP H H 1 8.135 0.00 . 1 . . . . A 68 ASP H . 31122 1 887 . 1 . 1 68 68 ASP HA H 1 4.503 0.00 . 1 . . . . A 68 ASP HA . 31122 1 888 . 1 . 1 68 68 ASP HB2 H 1 2.651 0.00 . 2 . . . . A 68 ASP HB2 . 31122 1 889 . 1 . 1 68 68 ASP HB3 H 1 2.535 0.00 . 2 . . . . A 68 ASP HB3 . 31122 1 890 . 1 . 1 68 68 ASP C C 13 176.495 0.01 . 1 . . . . A 68 ASP C . 31122 1 891 . 1 . 1 68 68 ASP CA C 13 54.514 0.00 . 1 . . . . A 68 ASP CA . 31122 1 892 . 1 . 1 68 68 ASP CB C 13 41.017 0.00 . 1 . . . . A 68 ASP CB . 31122 1 893 . 1 . 1 68 68 ASP N N 15 120.423 0.04 . 1 . . . . A 68 ASP N . 31122 1 894 . 1 . 1 69 69 MET H H 1 8.146 0.00 . 1 . . . . A 69 MET H . 31122 1 895 . 1 . 1 69 69 MET HA H 1 4.423 0.00 . 1 . . . . A 69 MET HA . 31122 1 896 . 1 . 1 69 69 MET HB2 H 1 2.047 0.00 . 2 . . . . A 69 MET HB2 . 31122 1 897 . 1 . 1 69 69 MET HB3 H 1 1.925 0.00 . 2 . . . . A 69 MET HB3 . 31122 1 898 . 1 . 1 69 69 MET HG2 H 1 2.532 0.00 . 2 . . . . A 69 MET HG2 . 31122 1 899 . 1 . 1 69 69 MET HG3 H 1 2.428 0.00 . 2 . . . . A 69 MET HG3 . 31122 1 900 . 1 . 1 69 69 MET HE1 H 1 1.947 0.00 . 1 . . . . A 69 MET HE1 . 31122 1 901 . 1 . 1 69 69 MET HE2 H 1 1.947 0.00 . 1 . . . . A 69 MET HE2 . 31122 1 902 . 1 . 1 69 69 MET HE3 H 1 1.947 0.00 . 1 . . . . A 69 MET HE3 . 31122 1 903 . 1 . 1 69 69 MET C C 13 176.525 0.00 . 1 . . . . A 69 MET C . 31122 1 904 . 1 . 1 69 69 MET CA C 13 55.811 0.00 . 1 . . . . A 69 MET CA . 31122 1 905 . 1 . 1 69 69 MET CB C 13 32.922 0.05 . 1 . . . . A 69 MET CB . 31122 1 906 . 1 . 1 69 69 MET CG C 13 32.080 0.01 . 1 . . . . A 69 MET CG . 31122 1 907 . 1 . 1 69 69 MET CE C 13 17.054 0.00 . 1 . . . . A 69 MET CE . 31122 1 908 . 1 . 1 69 69 MET N N 15 120.662 0.01 . 1 . . . . A 69 MET N . 31122 1 909 . 1 . 1 70 70 THR H H 1 8.089 0.00 . 1 . . . . A 70 THR H . 31122 1 910 . 1 . 1 70 70 THR HA H 1 4.207 0.00 . 1 . . . . A 70 THR HA . 31122 1 911 . 1 . 1 70 70 THR HB H 1 4.140 0.00 . 1 . . . . A 70 THR HB . 31122 1 912 . 1 . 1 70 70 THR HG21 H 1 1.083 0.00 . 1 . . . . A 70 THR HG21 . 31122 1 913 . 1 . 1 70 70 THR HG22 H 1 1.083 0.00 . 1 . . . . A 70 THR HG22 . 31122 1 914 . 1 . 1 70 70 THR HG23 H 1 1.083 0.00 . 1 . . . . A 70 THR HG23 . 31122 1 915 . 1 . 1 70 70 THR C C 13 174.430 0.00 . 1 . . . . A 70 THR C . 31122 1 916 . 1 . 1 70 70 THR CA C 13 62.244 0.00 . 1 . . . . A 70 THR CA . 31122 1 917 . 1 . 1 70 70 THR CB C 13 69.822 0.00 . 1 . . . . A 70 THR CB . 31122 1 918 . 1 . 1 70 70 THR CG2 C 13 21.507 0.00 . 1 . . . . A 70 THR CG2 . 31122 1 919 . 1 . 1 70 70 THR N N 15 114.303 0.00 . 1 . . . . A 70 THR N . 31122 1 920 . 1 . 1 71 71 ASP H H 1 8.268 0.00 . 1 . . . . A 71 ASP H . 31122 1 921 . 1 . 1 71 71 ASP HA H 1 4.559 0.00 . 1 . . . . A 71 ASP HA . 31122 1 922 . 1 . 1 71 71 ASP HB2 H 1 2.664 0.00 . 2 . . . . A 71 ASP HB2 . 31122 1 923 . 1 . 1 71 71 ASP HB3 H 1 2.576 0.00 . 2 . . . . A 71 ASP HB3 . 31122 1 924 . 1 . 1 71 71 ASP C C 13 176.452 0.00 . 1 . . . . A 71 ASP C . 31122 1 925 . 1 . 1 71 71 ASP CA C 13 54.438 0.00 . 1 . . . . A 71 ASP CA . 31122 1 926 . 1 . 1 71 71 ASP CB C 13 41.124 0.00 . 1 . . . . A 71 ASP CB . 31122 1 927 . 1 . 1 71 71 ASP N N 15 122.548 0.00 . 1 . . . . A 71 ASP N . 31122 1 928 . 1 . 1 72 72 SER H H 1 8.169 0.00 . 1 . . . . A 72 SER H . 31122 1 929 . 1 . 1 72 72 SER HA H 1 4.297 0.00 . 1 . . . . A 72 SER HA . 31122 1 930 . 1 . 1 72 72 SER HB2 H 1 3.836 0.00 . 2 . . . . A 72 SER HB2 . 31122 1 931 . 1 . 1 72 72 SER HB3 H 1 3.750 0.00 . 2 . . . . A 72 SER HB3 . 31122 1 932 . 1 . 1 72 72 SER C C 13 174.516 0.00 . 1 . . . . A 72 SER C . 31122 1 933 . 1 . 1 72 72 SER CA C 13 58.873 0.00 . 1 . . . . A 72 SER CA . 31122 1 934 . 1 . 1 72 72 SER CB C 13 63.706 0.00 . 1 . . . . A 72 SER CB . 31122 1 935 . 1 . 1 72 72 SER N N 15 116.055 0.00 . 1 . . . . A 72 SER N . 31122 1 936 . 1 . 1 73 73 ASP H H 1 8.332 0.00 . 1 . . . . A 73 ASP H . 31122 1 937 . 1 . 1 73 73 ASP HA H 1 4.553 0.00 . 1 . . . . A 73 ASP HA . 31122 1 938 . 1 . 1 73 73 ASP HB2 H 1 2.660 0.00 . 2 . . . . A 73 ASP HB2 . 31122 1 939 . 1 . 1 73 73 ASP HB3 H 1 2.596 0.00 . 2 . . . . A 73 ASP HB3 . 31122 1 940 . 1 . 1 73 73 ASP C C 13 176.241 0.00 . 1 . . . . A 73 ASP C . 31122 1 941 . 1 . 1 73 73 ASP CA C 13 54.529 0.00 . 1 . . . . A 73 ASP CA . 31122 1 942 . 1 . 1 73 73 ASP CB C 13 41.071 0.00 . 1 . . . . A 73 ASP CB . 31122 1 943 . 1 . 1 73 73 ASP N N 15 122.129 0.03 . 1 . . . . A 73 ASP N . 31122 1 944 . 1 . 1 74 74 CYS H H 1 8.146 0.00 . 1 . . . . A 74 CYS H . 31122 1 945 . 1 . 1 74 74 CYS HA H 1 4.413 0.00 . 1 . . . . A 74 CYS HA . 31122 1 946 . 1 . 1 74 74 CYS HB2 H 1 2.865 0.00 . 2 . . . . A 74 CYS HB2 . 31122 1 947 . 1 . 1 74 74 CYS HB3 H 1 2.865 0.00 . 2 . . . . A 74 CYS HB3 . 31122 1 948 . 1 . 1 74 74 CYS C C 13 174.878 0.00 . 1 . . . . A 74 CYS C . 31122 1 949 . 1 . 1 74 74 CYS CA C 13 58.702 0.00 . 1 . . . . A 74 CYS CA . 31122 1 950 . 1 . 1 74 74 CYS CB C 13 27.638 0.00 . 1 . . . . A 74 CYS CB . 31122 1 951 . 1 . 1 74 74 CYS N N 15 119.192 0.00 . 1 . . . . A 74 CYS N . 31122 1 952 . 1 . 1 75 75 ARG H H 1 8.327 0.00 . 1 . . . . A 75 ARG H . 31122 1 953 . 1 . 1 75 75 ARG HA H 1 4.234 0.00 . 1 . . . . A 75 ARG HA . 31122 1 954 . 1 . 1 75 75 ARG HB2 H 1 1.808 0.00 . 2 . . . . A 75 ARG HB2 . 31122 1 955 . 1 . 1 75 75 ARG HB3 H 1 1.711 0.00 . 2 . . . . A 75 ARG HB3 . 31122 1 956 . 1 . 1 75 75 ARG HG2 H 1 1.551 0.00 . 2 . . . . A 75 ARG HG2 . 31122 1 957 . 1 . 1 75 75 ARG HG3 H 1 1.552 0.00 . 2 . . . . A 75 ARG HG3 . 31122 1 958 . 1 . 1 75 75 ARG HD2 H 1 3.111 0.00 . 2 . . . . A 75 ARG HD2 . 31122 1 959 . 1 . 1 75 75 ARG HD3 H 1 3.121 0.00 . 2 . . . . A 75 ARG HD3 . 31122 1 960 . 1 . 1 75 75 ARG C C 13 176.137 0.00 . 1 . . . . A 75 ARG C . 31122 1 961 . 1 . 1 75 75 ARG CA C 13 56.495 0.00 . 1 . . . . A 75 ARG CA . 31122 1 962 . 1 . 1 75 75 ARG CB C 13 30.500 0.00 . 1 . . . . A 75 ARG CB . 31122 1 963 . 1 . 1 75 75 ARG CG C 13 26.992 0.00 . 1 . . . . A 75 ARG CG . 31122 1 964 . 1 . 1 75 75 ARG CD C 13 43.257 0.00 . 1 . . . . A 75 ARG CD . 31122 1 965 . 1 . 1 75 75 ARG N N 15 123.165 0.01 . 1 . . . . A 75 ARG N . 31122 1 966 . 1 . 1 76 76 ASP H H 1 8.216 0.00 . 1 . . . . A 76 ASP H . 31122 1 967 . 1 . 1 76 76 ASP HA H 1 4.476 0.00 . 1 . . . . A 76 ASP HA . 31122 1 968 . 1 . 1 76 76 ASP HB2 H 1 2.637 0.00 . 2 . . . . A 76 ASP HB2 . 31122 1 969 . 1 . 1 76 76 ASP HB3 H 1 2.524 0.00 . 2 . . . . A 76 ASP HB3 . 31122 1 970 . 1 . 1 76 76 ASP C C 13 175.741 0.00 . 1 . . . . A 76 ASP C . 31122 1 971 . 1 . 1 76 76 ASP CA C 13 54.597 0.00 . 1 . . . . A 76 ASP CA . 31122 1 972 . 1 . 1 76 76 ASP CB C 13 41.029 0.00 . 1 . . . . A 76 ASP CB . 31122 1 973 . 1 . 1 76 76 ASP N N 15 120.152 0.00 . 1 . . . . A 76 ASP N . 31122 1 974 . 1 . 1 77 77 ASN H H 1 8.106 0.00 . 1 . . . . A 77 ASN H . 31122 1 975 . 1 . 1 77 77 ASN HA H 1 4.571 0.00 . 1 . . . . A 77 ASN HA . 31122 1 976 . 1 . 1 77 77 ASN HB2 H 1 2.732 0.00 . 2 . . . . A 77 ASN HB2 . 31122 1 977 . 1 . 1 77 77 ASN HB3 H 1 2.667 0.00 . 2 . . . . A 77 ASN HB3 . 31122 1 978 . 1 . 1 77 77 ASN HD21 H 1 7.507 0.00 . 1 . . . . A 77 ASN HD21 . 31122 1 979 . 1 . 1 77 77 ASN HD22 H 1 6.825 0.00 . 1 . . . . A 77 ASN HD22 . 31122 1 980 . 1 . 1 77 77 ASN C C 13 174.271 0.00 . 1 . . . . A 77 ASN C . 31122 1 981 . 1 . 1 77 77 ASN CA C 13 53.072 0.00 . 1 . . . . A 77 ASN CA . 31122 1 982 . 1 . 1 77 77 ASN CB C 13 39.125 0.01 . 1 . . . . A 77 ASN CB . 31122 1 983 . 1 . 1 77 77 ASN CG C 13 177.201 0.01 . 1 . . . . A 77 ASN CG . 31122 1 984 . 1 . 1 77 77 ASN N N 15 117.851 0.00 . 1 . . . . A 77 ASN N . 31122 1 985 . 1 . 1 77 77 ASN ND2 N 15 112.939 0.01 . 1 . . . . A 77 ASN ND2 . 31122 1 986 . 1 . 1 78 78 ALA H H 1 8.081 0.00 . 1 . . . . A 78 ALA H . 31122 1 987 . 1 . 1 78 78 ALA HA H 1 4.515 0.00 . 1 . . . . A 78 ALA HA . 31122 1 988 . 1 . 1 78 78 ALA HB1 H 1 1.242 0.00 . 1 . . . . A 78 ALA HB1 . 31122 1 989 . 1 . 1 78 78 ALA HB2 H 1 1.242 0.00 . 1 . . . . A 78 ALA HB2 . 31122 1 990 . 1 . 1 78 78 ALA HB3 H 1 1.242 0.00 . 1 . . . . A 78 ALA HB3 . 31122 1 991 . 1 . 1 78 78 ALA C C 13 174.920 0.00 . 1 . . . . A 78 ALA C . 31122 1 992 . 1 . 1 78 78 ALA CA C 13 50.492 0.00 . 1 . . . . A 78 ALA CA . 31122 1 993 . 1 . 1 78 78 ALA CB C 13 18.125 0.00 . 1 . . . . A 78 ALA CB . 31122 1 994 . 1 . 1 78 78 ALA N N 15 124.394 0.01 . 1 . . . . A 78 ALA N . 31122 1 995 . 1 . 1 79 79 PRO HA H 1 4.364 0.00 . 1 . . . . A 79 PRO HA . 31122 1 996 . 1 . 1 79 79 PRO HB2 H 1 2.148 0.00 . 2 . . . . A 79 PRO HB2 . 31122 1 997 . 1 . 1 79 79 PRO HB3 H 1 1.822 0.00 . 2 . . . . A 79 PRO HB3 . 31122 1 998 . 1 . 1 79 79 PRO HG2 H 1 1.929 0.00 . 2 . . . . A 79 PRO HG2 . 31122 1 999 . 1 . 1 79 79 PRO HG3 H 1 1.886 0.00 . 2 . . . . A 79 PRO HG3 . 31122 1 1000 . 1 . 1 79 79 PRO HD2 H 1 3.663 0.00 . 2 . . . . A 79 PRO HD2 . 31122 1 1001 . 1 . 1 79 79 PRO HD3 H 1 3.529 0.00 . 2 . . . . A 79 PRO HD3 . 31122 1 1002 . 1 . 1 79 79 PRO C C 13 176.639 0.00 . 1 . . . . A 79 PRO C . 31122 1 1003 . 1 . 1 79 79 PRO CA C 13 62.888 0.00 . 1 . . . . A 79 PRO CA . 31122 1 1004 . 1 . 1 79 79 PRO CB C 13 32.001 0.05 . 1 . . . . A 79 PRO CB . 31122 1 1005 . 1 . 1 79 79 PRO CG C 13 27.543 0.00 . 1 . . . . A 79 PRO CG . 31122 1 1006 . 1 . 1 79 79 PRO CD C 13 50.373 0.00 . 1 . . . . A 79 PRO CD . 31122 1 1007 . 1 . 1 80 80 ARG H H 1 8.343 0.00 . 1 . . . . A 80 ARG H . 31122 1 1008 . 1 . 1 80 80 ARG HA H 1 4.290 0.00 . 1 . . . . A 80 ARG HA . 31122 1 1009 . 1 . 1 80 80 ARG HB2 H 1 1.742 0.00 . 2 . . . . A 80 ARG HB2 . 31122 1 1010 . 1 . 1 80 80 ARG HB3 H 1 1.733 0.00 . 2 . . . . A 80 ARG HB3 . 31122 1 1011 . 1 . 1 80 80 ARG HG2 H 1 1.617 0.00 . 2 . . . . A 80 ARG HG2 . 31122 1 1012 . 1 . 1 80 80 ARG HG3 H 1 1.617 0.00 . 2 . . . . A 80 ARG HG3 . 31122 1 1013 . 1 . 1 80 80 ARG HD2 H 1 3.176 0.00 . 2 . . . . A 80 ARG HD2 . 31122 1 1014 . 1 . 1 80 80 ARG HD3 H 1 3.176 0.00 . 2 . . . . A 80 ARG HD3 . 31122 1 1015 . 1 . 1 80 80 ARG C C 13 175.629 0.01 . 1 . . . . A 80 ARG C . 31122 1 1016 . 1 . 1 80 80 ARG CA C 13 55.964 0.00 . 1 . . . . A 80 ARG CA . 31122 1 1017 . 1 . 1 80 80 ARG CB C 13 31.527 0.00 . 1 . . . . A 80 ARG CB . 31122 1 1018 . 1 . 1 80 80 ARG CG C 13 27.279 0.00 . 1 . . . . A 80 ARG CG . 31122 1 1019 . 1 . 1 80 80 ARG CD C 13 43.500 0.00 . 1 . . . . A 80 ARG CD . 31122 1 1020 . 1 . 1 80 80 ARG N N 15 122.228 0.01 . 1 . . . . A 80 ARG N . 31122 1 1021 . 1 . 1 81 81 THR H H 1 8.106 0.00 . 1 . . . . A 81 THR H . 31122 1 1022 . 1 . 1 81 81 THR HA H 1 4.885 0.00 . 1 . . . . A 81 THR HA . 31122 1 1023 . 1 . 1 81 81 THR HB H 1 3.735 0.00 . 1 . . . . A 81 THR HB . 31122 1 1024 . 1 . 1 81 81 THR HG21 H 1 0.790 0.00 . 1 . . . . A 81 THR HG21 . 31122 1 1025 . 1 . 1 81 81 THR HG22 H 1 0.790 0.00 . 1 . . . . A 81 THR HG22 . 31122 1 1026 . 1 . 1 81 81 THR HG23 H 1 0.790 0.00 . 1 . . . . A 81 THR HG23 . 31122 1 1027 . 1 . 1 81 81 THR C C 13 173.322 0.00 . 1 . . . . A 81 THR C . 31122 1 1028 . 1 . 1 81 81 THR CA C 13 63.250 0.00 . 1 . . . . A 81 THR CA . 31122 1 1029 . 1 . 1 81 81 THR CB C 13 69.217 0.00 . 1 . . . . A 81 THR CB . 31122 1 1030 . 1 . 1 81 81 THR CG2 C 13 22.638 0.00 . 1 . . . . A 81 THR CG2 . 31122 1 1031 . 1 . 1 81 81 THR N N 15 119.530 0.01 . 1 . . . . A 81 THR N . 31122 1 1032 . 1 . 1 82 82 ILE H H 1 8.611 0.00 . 1 . . . . A 82 ILE H . 31122 1 1033 . 1 . 1 82 82 ILE HA H 1 4.628 0.00 . 1 . . . . A 82 ILE HA . 31122 1 1034 . 1 . 1 82 82 ILE HB H 1 1.598 0.00 . 1 . . . . A 82 ILE HB . 31122 1 1035 . 1 . 1 82 82 ILE HG12 H 1 1.296 0.00 . 2 . . . . A 82 ILE HG12 . 31122 1 1036 . 1 . 1 82 82 ILE HG13 H 1 1.113 0.00 . 2 . . . . A 82 ILE HG13 . 31122 1 1037 . 1 . 1 82 82 ILE HG21 H 1 0.745 0.00 . 1 . . . . A 82 ILE HG21 . 31122 1 1038 . 1 . 1 82 82 ILE HG22 H 1 0.745 0.00 . 1 . . . . A 82 ILE HG22 . 31122 1 1039 . 1 . 1 82 82 ILE HG23 H 1 0.745 0.00 . 1 . . . . A 82 ILE HG23 . 31122 1 1040 . 1 . 1 82 82 ILE HD11 H 1 0.703 0.00 . 1 . . . . A 82 ILE HD11 . 31122 1 1041 . 1 . 1 82 82 ILE HD12 H 1 0.703 0.00 . 1 . . . . A 82 ILE HD12 . 31122 1 1042 . 1 . 1 82 82 ILE HD13 H 1 0.703 0.00 . 1 . . . . A 82 ILE HD13 . 31122 1 1043 . 1 . 1 82 82 ILE C C 13 173.264 0.03 . 1 . . . . A 82 ILE C . 31122 1 1044 . 1 . 1 82 82 ILE CA C 13 59.252 0.00 . 1 . . . . A 82 ILE CA . 31122 1 1045 . 1 . 1 82 82 ILE CB C 13 41.468 0.00 . 1 . . . . A 82 ILE CB . 31122 1 1046 . 1 . 1 82 82 ILE CG1 C 13 27.346 0.03 . 1 . . . . A 82 ILE CG1 . 31122 1 1047 . 1 . 1 82 82 ILE CG2 C 13 17.511 0.00 . 1 . . . . A 82 ILE CG2 . 31122 1 1048 . 1 . 1 82 82 ILE CD1 C 13 12.948 0.00 . 1 . . . . A 82 ILE CD1 . 31122 1 1049 . 1 . 1 82 82 ILE N N 15 125.840 0.00 . 1 . . . . A 82 ILE N . 31122 1 1050 . 1 . 1 83 83 PHE H H 1 9.123 0.00 . 1 . . . . A 83 PHE H . 31122 1 1051 . 1 . 1 83 83 PHE HA H 1 4.638 0.00 . 1 . . . . A 83 PHE HA . 31122 1 1052 . 1 . 1 83 83 PHE HB2 H 1 3.299 0.00 . 2 . . . . A 83 PHE HB2 . 31122 1 1053 . 1 . 1 83 83 PHE HB3 H 1 2.852 0.00 . 2 . . . . A 83 PHE HB3 . 31122 1 1054 . 1 . 1 83 83 PHE HD1 H 1 6.981 0.00 . 3 . . . . A 83 PHE HD1 . 31122 1 1055 . 1 . 1 83 83 PHE HD2 H 1 6.981 0.00 . 3 . . . . A 83 PHE HD2 . 31122 1 1056 . 1 . 1 83 83 PHE HE1 H 1 6.770 0.00 . 3 . . . . A 83 PHE HE1 . 31122 1 1057 . 1 . 1 83 83 PHE HE2 H 1 6.770 0.00 . 3 . . . . A 83 PHE HE2 . 31122 1 1058 . 1 . 1 83 83 PHE HZ H 1 6.670 0.00 . 1 . . . . A 83 PHE HZ . 31122 1 1059 . 1 . 1 83 83 PHE C C 13 173.121 0.03 . 1 . . . . A 83 PHE C . 31122 1 1060 . 1 . 1 83 83 PHE CA C 13 57.855 0.00 . 1 . . . . A 83 PHE CA . 31122 1 1061 . 1 . 1 83 83 PHE CB C 13 42.217 0.02 . 1 . . . . A 83 PHE CB . 31122 1 1062 . 1 . 1 83 83 PHE CD1 C 13 131.411 0.00 . 3 . . . . A 83 PHE CD1 . 31122 1 1063 . 1 . 1 83 83 PHE CD2 C 13 131.437 0.00 . 3 . . . . A 83 PHE CD2 . 31122 1 1064 . 1 . 1 83 83 PHE CE1 C 13 129.819 0.00 . 3 . . . . A 83 PHE CE1 . 31122 1 1065 . 1 . 1 83 83 PHE CE2 C 13 129.819 0.00 . 3 . . . . A 83 PHE CE2 . 31122 1 1066 . 1 . 1 83 83 PHE CZ C 13 129.762 0.00 . 1 . . . . A 83 PHE CZ . 31122 1 1067 . 1 . 1 83 83 PHE N N 15 130.525 0.01 . 1 . . . . A 83 PHE N . 31122 1 1068 . 1 . 1 84 84 ILE H H 1 8.834 0.00 . 1 . . . . A 84 ILE H . 31122 1 1069 . 1 . 1 84 84 ILE HA H 1 4.551 0.00 . 1 . . . . A 84 ILE HA . 31122 1 1070 . 1 . 1 84 84 ILE HB H 1 1.365 0.00 . 1 . . . . A 84 ILE HB . 31122 1 1071 . 1 . 1 84 84 ILE HG12 H 1 1.335 0.00 . 2 . . . . A 84 ILE HG12 . 31122 1 1072 . 1 . 1 84 84 ILE HG13 H 1 0.626 0.00 . 2 . . . . A 84 ILE HG13 . 31122 1 1073 . 1 . 1 84 84 ILE HG21 H 1 0.511 0.00 . 1 . . . . A 84 ILE HG21 . 31122 1 1074 . 1 . 1 84 84 ILE HG22 H 1 0.511 0.00 . 1 . . . . A 84 ILE HG22 . 31122 1 1075 . 1 . 1 84 84 ILE HG23 H 1 0.511 0.00 . 1 . . . . A 84 ILE HG23 . 31122 1 1076 . 1 . 1 84 84 ILE HD11 H 1 0.491 0.00 . 1 . . . . A 84 ILE HD11 . 31122 1 1077 . 1 . 1 84 84 ILE HD12 H 1 0.491 0.00 . 1 . . . . A 84 ILE HD12 . 31122 1 1078 . 1 . 1 84 84 ILE HD13 H 1 0.491 0.00 . 1 . . . . A 84 ILE HD13 . 31122 1 1079 . 1 . 1 84 84 ILE C C 13 174.357 0.01 . 1 . . . . A 84 ILE C . 31122 1 1080 . 1 . 1 84 84 ILE CA C 13 60.721 0.00 . 1 . . . . A 84 ILE CA . 31122 1 1081 . 1 . 1 84 84 ILE CB C 13 40.066 0.00 . 1 . . . . A 84 ILE CB . 31122 1 1082 . 1 . 1 84 84 ILE CG1 C 13 27.510 0.02 . 1 . . . . A 84 ILE CG1 . 31122 1 1083 . 1 . 1 84 84 ILE CG2 C 13 17.304 0.00 . 1 . . . . A 84 ILE CG2 . 31122 1 1084 . 1 . 1 84 84 ILE CD1 C 13 14.579 0.00 . 1 . . . . A 84 ILE CD1 . 31122 1 1085 . 1 . 1 84 84 ILE N N 15 126.816 0.00 . 1 . . . . A 84 ILE N . 31122 1 1086 . 1 . 1 85 85 ILE H H 1 8.866 0.00 . 1 . . . . A 85 ILE H . 31122 1 1087 . 1 . 1 85 85 ILE HA H 1 4.319 0.00 . 1 . . . . A 85 ILE HA . 31122 1 1088 . 1 . 1 85 85 ILE HB H 1 1.520 0.00 . 1 . . . . A 85 ILE HB . 31122 1 1089 . 1 . 1 85 85 ILE HG12 H 1 1.182 0.00 . 2 . . . . A 85 ILE HG12 . 31122 1 1090 . 1 . 1 85 85 ILE HG13 H 1 0.693 0.00 . 2 . . . . A 85 ILE HG13 . 31122 1 1091 . 1 . 1 85 85 ILE HG21 H 1 0.838 0.00 . 1 . . . . A 85 ILE HG21 . 31122 1 1092 . 1 . 1 85 85 ILE HG22 H 1 0.838 0.00 . 1 . . . . A 85 ILE HG22 . 31122 1 1093 . 1 . 1 85 85 ILE HG23 H 1 0.838 0.00 . 1 . . . . A 85 ILE HG23 . 31122 1 1094 . 1 . 1 85 85 ILE HD11 H 1 0.556 0.00 . 1 . . . . A 85 ILE HD11 . 31122 1 1095 . 1 . 1 85 85 ILE HD12 H 1 0.556 0.00 . 1 . . . . A 85 ILE HD12 . 31122 1 1096 . 1 . 1 85 85 ILE HD13 H 1 0.556 0.00 . 1 . . . . A 85 ILE HD13 . 31122 1 1097 . 1 . 1 85 85 ILE C C 13 175.017 0.01 . 1 . . . . A 85 ILE C . 31122 1 1098 . 1 . 1 85 85 ILE CA C 13 60.424 0.00 . 1 . . . . A 85 ILE CA . 31122 1 1099 . 1 . 1 85 85 ILE CB C 13 38.981 0.00 . 1 . . . . A 85 ILE CB . 31122 1 1100 . 1 . 1 85 85 ILE CG1 C 13 28.392 0.02 . 1 . . . . A 85 ILE CG1 . 31122 1 1101 . 1 . 1 85 85 ILE CG2 C 13 18.843 0.00 . 1 . . . . A 85 ILE CG2 . 31122 1 1102 . 1 . 1 85 85 ILE CD1 C 13 16.075 0.00 . 1 . . . . A 85 ILE CD1 . 31122 1 1103 . 1 . 1 85 85 ILE N N 15 129.292 0.02 . 1 . . . . A 85 ILE N . 31122 1 1104 . 1 . 1 86 86 SER H H 1 8.751 0.00 . 1 . . . . A 86 SER H . 31122 1 1105 . 1 . 1 86 86 SER HA H 1 4.966 0.00 . 1 . . . . A 86 SER HA . 31122 1 1106 . 1 . 1 86 86 SER HB2 H 1 3.673 0.00 . 2 . . . . A 86 SER HB2 . 31122 1 1107 . 1 . 1 86 86 SER HB3 H 1 3.477 0.00 . 2 . . . . A 86 SER HB3 . 31122 1 1108 . 1 . 1 86 86 SER C C 13 173.509 0.00 . 1 . . . . A 86 SER C . 31122 1 1109 . 1 . 1 86 86 SER CA C 13 57.332 0.00 . 1 . . . . A 86 SER CA . 31122 1 1110 . 1 . 1 86 86 SER CB C 13 63.432 0.00 . 1 . . . . A 86 SER CB . 31122 1 1111 . 1 . 1 86 86 SER N N 15 123.379 0.02 . 1 . . . . A 86 SER N . 31122 1 1112 . 1 . 1 87 87 MET H H 1 8.737 0.00 . 1 . . . . A 87 MET H . 31122 1 1113 . 1 . 1 87 87 MET HA H 1 4.764 0.00 . 1 . . . . A 87 MET HA . 31122 1 1114 . 1 . 1 87 87 MET HB2 H 1 2.104 0.00 . 2 . . . . A 87 MET HB2 . 31122 1 1115 . 1 . 1 87 87 MET HB3 H 1 2.080 0.00 . 2 . . . . A 87 MET HB3 . 31122 1 1116 . 1 . 1 87 87 MET HG2 H 1 2.606 0.00 . 2 . . . . A 87 MET HG2 . 31122 1 1117 . 1 . 1 87 87 MET HG3 H 1 2.449 0.00 . 2 . . . . A 87 MET HG3 . 31122 1 1118 . 1 . 1 87 87 MET HE1 H 1 2.005 0.00 . 1 . . . . A 87 MET HE1 . 31122 1 1119 . 1 . 1 87 87 MET HE2 H 1 2.005 0.00 . 1 . . . . A 87 MET HE2 . 31122 1 1120 . 1 . 1 87 87 MET HE3 H 1 2.005 0.00 . 1 . . . . A 87 MET HE3 . 31122 1 1121 . 1 . 1 87 87 MET C C 13 175.896 0.00 . 1 . . . . A 87 MET C . 31122 1 1122 . 1 . 1 87 87 MET CA C 13 55.444 0.00 . 1 . . . . A 87 MET CA . 31122 1 1123 . 1 . 1 87 87 MET CB C 13 34.803 0.00 . 1 . . . . A 87 MET CB . 31122 1 1124 . 1 . 1 87 87 MET CG C 13 31.909 0.01 . 1 . . . . A 87 MET CG . 31122 1 1125 . 1 . 1 87 87 MET CE C 13 17.185 0.00 . 1 . . . . A 87 MET CE . 31122 1 1126 . 1 . 1 87 87 MET N N 15 122.592 0.00 . 1 . . . . A 87 MET N . 31122 1 1127 . 1 . 1 88 88 TYR H H 1 8.448 0.00 . 1 . . . . A 88 TYR H . 31122 1 1128 . 1 . 1 88 88 TYR HA H 1 4.590 0.00 . 1 . . . . A 88 TYR HA . 31122 1 1129 . 1 . 1 88 88 TYR HB2 H 1 3.073 0.00 . 2 . . . . A 88 TYR HB2 . 31122 1 1130 . 1 . 1 88 88 TYR HB3 H 1 2.763 0.00 . 2 . . . . A 88 TYR HB3 . 31122 1 1131 . 1 . 1 88 88 TYR HD1 H 1 6.965 0.00 . 3 . . . . A 88 TYR HD1 . 31122 1 1132 . 1 . 1 88 88 TYR HD2 H 1 6.965 0.00 . 3 . . . . A 88 TYR HD2 . 31122 1 1133 . 1 . 1 88 88 TYR HE1 H 1 6.567 0.00 . 3 . . . . A 88 TYR HE1 . 31122 1 1134 . 1 . 1 88 88 TYR HE2 H 1 6.567 0.00 . 3 . . . . A 88 TYR HE2 . 31122 1 1135 . 1 . 1 88 88 TYR C C 13 176.444 0.01 . 1 . . . . A 88 TYR C . 31122 1 1136 . 1 . 1 88 88 TYR CA C 13 58.084 0.00 . 1 . . . . A 88 TYR CA . 31122 1 1137 . 1 . 1 88 88 TYR CB C 13 38.751 0.05 . 1 . . . . A 88 TYR CB . 31122 1 1138 . 1 . 1 88 88 TYR CD1 C 13 133.071 0.00 . 3 . . . . A 88 TYR CD1 . 31122 1 1139 . 1 . 1 88 88 TYR CD2 C 13 133.071 0.00 . 3 . . . . A 88 TYR CD2 . 31122 1 1140 . 1 . 1 88 88 TYR CE1 C 13 117.754 0.00 . 3 . . . . A 88 TYR CE1 . 31122 1 1141 . 1 . 1 88 88 TYR CE2 C 13 117.754 0.00 . 3 . . . . A 88 TYR CE2 . 31122 1 1142 . 1 . 1 88 88 TYR N N 15 123.252 0.00 . 1 . . . . A 88 TYR N . 31122 1 1143 . 1 . 1 89 89 LYS H H 1 8.593 0.00 . 1 . . . . A 89 LYS H . 31122 1 1144 . 1 . 1 89 89 LYS HA H 1 4.217 0.00 . 1 . . . . A 89 LYS HA . 31122 1 1145 . 1 . 1 89 89 LYS HB2 H 1 1.845 0.00 . 2 . . . . A 89 LYS HB2 . 31122 1 1146 . 1 . 1 89 89 LYS HB3 H 1 1.789 0.00 . 2 . . . . A 89 LYS HB3 . 31122 1 1147 . 1 . 1 89 89 LYS HG2 H 1 1.420 0.00 . 2 . . . . A 89 LYS HG2 . 31122 1 1148 . 1 . 1 89 89 LYS HG3 H 1 1.406 0.00 . 2 . . . . A 89 LYS HG3 . 31122 1 1149 . 1 . 1 89 89 LYS HD2 H 1 1.640 0.00 . 2 . . . . A 89 LYS HD2 . 31122 1 1150 . 1 . 1 89 89 LYS HD3 H 1 1.640 0.00 . 2 . . . . A 89 LYS HD3 . 31122 1 1151 . 1 . 1 89 89 LYS HE2 H 1 2.935 0.00 . 2 . . . . A 89 LYS HE2 . 31122 1 1152 . 1 . 1 89 89 LYS HE3 H 1 2.935 0.00 . 2 . . . . A 89 LYS HE3 . 31122 1 1153 . 1 . 1 89 89 LYS C C 13 176.432 0.00 . 1 . . . . A 89 LYS C . 31122 1 1154 . 1 . 1 89 89 LYS CA C 13 57.571 0.00 . 1 . . . . A 89 LYS CA . 31122 1 1155 . 1 . 1 89 89 LYS CB C 13 32.705 0.00 . 1 . . . . A 89 LYS CB . 31122 1 1156 . 1 . 1 89 89 LYS CG C 13 25.019 0.01 . 1 . . . . A 89 LYS CG . 31122 1 1157 . 1 . 1 89 89 LYS CD C 13 29.017 0.01 . 1 . . . . A 89 LYS CD . 31122 1 1158 . 1 . 1 89 89 LYS CE C 13 42.118 0.00 . 1 . . . . A 89 LYS CE . 31122 1 1159 . 1 . 1 89 89 LYS N N 15 121.955 0.01 . 1 . . . . A 89 LYS N . 31122 1 1160 . 1 . 1 90 90 ASP H H 1 8.235 0.00 . 1 . . . . A 90 ASP H . 31122 1 1161 . 1 . 1 90 90 ASP HA H 1 4.612 0.00 . 1 . . . . A 90 ASP HA . 31122 1 1162 . 1 . 1 90 90 ASP HB2 H 1 2.644 0.00 . 2 . . . . A 90 ASP HB2 . 31122 1 1163 . 1 . 1 90 90 ASP HB3 H 1 2.587 0.00 . 2 . . . . A 90 ASP HB3 . 31122 1 1164 . 1 . 1 90 90 ASP C C 13 175.935 0.00 . 1 . . . . A 90 ASP C . 31122 1 1165 . 1 . 1 90 90 ASP CA C 13 54.260 0.00 . 1 . . . . A 90 ASP CA . 31122 1 1166 . 1 . 1 90 90 ASP CB C 13 41.208 0.00 . 1 . . . . A 90 ASP CB . 31122 1 1167 . 1 . 1 90 90 ASP N N 15 119.274 0.00 . 1 . . . . A 90 ASP N . 31122 1 1168 . 1 . 1 91 91 SER H H 1 8.482 0.00 . 1 . . . . A 91 SER H . 31122 1 1169 . 1 . 1 91 91 SER HA H 1 4.452 0.00 . 1 . . . . A 91 SER HA . 31122 1 1170 . 1 . 1 91 91 SER HB2 H 1 3.818 0.00 . 2 . . . . A 91 SER HB2 . 31122 1 1171 . 1 . 1 91 91 SER HB3 H 1 3.822 0.00 . 2 . . . . A 91 SER HB3 . 31122 1 1172 . 1 . 1 91 91 SER C C 13 174.079 0.01 . 1 . . . . A 91 SER C . 31122 1 1173 . 1 . 1 91 91 SER CA C 13 59.098 0.00 . 1 . . . . A 91 SER CA . 31122 1 1174 . 1 . 1 91 91 SER CB C 13 63.657 0.00 . 1 . . . . A 91 SER CB . 31122 1 1175 . 1 . 1 91 91 SER N N 15 118.144 0.01 . 1 . . . . A 91 SER N . 31122 1 1176 . 1 . 1 92 92 GLN H H 1 8.325 0.00 . 1 . . . . A 92 GLN H . 31122 1 1177 . 1 . 1 92 92 GLN HA H 1 4.740 0.00 . 1 . . . . A 92 GLN HA . 31122 1 1178 . 1 . 1 92 92 GLN HB2 H 1 2.289 0.00 . 2 . . . . A 92 GLN HB2 . 31122 1 1179 . 1 . 1 92 92 GLN HB3 H 1 2.051 0.00 . 2 . . . . A 92 GLN HB3 . 31122 1 1180 . 1 . 1 92 92 GLN HG2 H 1 2.412 0.00 . 2 . . . . A 92 GLN HG2 . 31122 1 1181 . 1 . 1 92 92 GLN HG3 H 1 2.287 0.00 . 2 . . . . A 92 GLN HG3 . 31122 1 1182 . 1 . 1 92 92 GLN HE21 H 1 7.518 0.00 . 1 . . . . A 92 GLN HE21 . 31122 1 1183 . 1 . 1 92 92 GLN HE22 H 1 6.826 0.00 . 1 . . . . A 92 GLN HE22 . 31122 1 1184 . 1 . 1 92 92 GLN C C 13 175.251 0.00 . 1 . . . . A 92 GLN C . 31122 1 1185 . 1 . 1 92 92 GLN CA C 13 53.491 0.00 . 1 . . . . A 92 GLN CA . 31122 1 1186 . 1 . 1 92 92 GLN CB C 13 28.980 0.00 . 1 . . . . A 92 GLN CB . 31122 1 1187 . 1 . 1 92 92 GLN CG C 13 33.587 0.00 . 1 . . . . A 92 GLN CG . 31122 1 1188 . 1 . 1 92 92 GLN CD C 13 179.945 0.02 . 1 . . . . A 92 GLN CD . 31122 1 1189 . 1 . 1 92 92 GLN N N 15 122.101 0.03 . 1 . . . . A 92 GLN N . 31122 1 1190 . 1 . 1 92 92 GLN NE2 N 15 113.246 0.01 . 1 . . . . A 92 GLN NE2 . 31122 1 1191 . 1 . 1 93 93 PRO HA H 1 4.209 0.00 . 1 . . . . A 93 PRO HA . 31122 1 1192 . 1 . 1 93 93 PRO HB2 H 1 2.254 0.00 . 2 . . . . A 93 PRO HB2 . 31122 1 1193 . 1 . 1 93 93 PRO HB3 H 1 1.779 0.00 . 2 . . . . A 93 PRO HB3 . 31122 1 1194 . 1 . 1 93 93 PRO HG2 H 1 2.015 0.00 . 2 . . . . A 93 PRO HG2 . 31122 1 1195 . 1 . 1 93 93 PRO HG3 H 1 1.906 0.00 . 2 . . . . A 93 PRO HG3 . 31122 1 1196 . 1 . 1 93 93 PRO HD2 H 1 3.728 0.00 . 2 . . . . A 93 PRO HD2 . 31122 1 1197 . 1 . 1 93 93 PRO HD3 H 1 3.728 0.00 . 2 . . . . A 93 PRO HD3 . 31122 1 1198 . 1 . 1 93 93 PRO C C 13 178.065 0.00 . 1 . . . . A 93 PRO C . 31122 1 1199 . 1 . 1 93 93 PRO CA C 13 65.545 0.00 . 1 . . . . A 93 PRO CA . 31122 1 1200 . 1 . 1 93 93 PRO CB C 13 31.803 0.02 . 1 . . . . A 93 PRO CB . 31122 1 1201 . 1 . 1 93 93 PRO CG C 13 27.611 0.01 . 1 . . . . A 93 PRO CG . 31122 1 1202 . 1 . 1 93 93 PRO CD C 13 50.403 0.00 . 1 . . . . A 93 PRO CD . 31122 1 1203 . 1 . 1 94 94 ARG H H 1 7.625 0.00 . 1 . . . . A 94 ARG H . 31122 1 1204 . 1 . 1 94 94 ARG HA H 1 4.049 0.00 . 1 . . . . A 94 ARG HA . 31122 1 1205 . 1 . 1 94 94 ARG HB2 H 1 1.301 0.00 . 2 . . . . A 94 ARG HB2 . 31122 1 1206 . 1 . 1 94 94 ARG HB3 H 1 0.879 0.00 . 2 . . . . A 94 ARG HB3 . 31122 1 1207 . 1 . 1 94 94 ARG HG2 H 1 1.324 0.00 . 2 . . . . A 94 ARG HG2 . 31122 1 1208 . 1 . 1 94 94 ARG HG3 H 1 1.348 0.00 . 2 . . . . A 94 ARG HG3 . 31122 1 1209 . 1 . 1 94 94 ARG HD2 H 1 3.034 0.00 . 2 . . . . A 94 ARG HD2 . 31122 1 1210 . 1 . 1 94 94 ARG HD3 H 1 2.905 0.00 . 2 . . . . A 94 ARG HD3 . 31122 1 1211 . 1 . 1 94 94 ARG C C 13 175.010 0.00 . 1 . . . . A 94 ARG C . 31122 1 1212 . 1 . 1 94 94 ARG CA C 13 56.342 0.00 . 1 . . . . A 94 ARG CA . 31122 1 1213 . 1 . 1 94 94 ARG CB C 13 29.917 0.01 . 1 . . . . A 94 ARG CB . 31122 1 1214 . 1 . 1 94 94 ARG CG C 13 27.465 0.00 . 1 . . . . A 94 ARG CG . 31122 1 1215 . 1 . 1 94 94 ARG CD C 13 43.547 0.01 . 1 . . . . A 94 ARG CD . 31122 1 1216 . 1 . 1 94 94 ARG N N 15 113.298 0.00 . 1 . . . . A 94 ARG N . 31122 1 1217 . 1 . 1 95 95 GLY H H 1 7.592 0.00 . 1 . . . . A 95 GLY H . 31122 1 1218 . 1 . 1 95 95 GLY HA2 H 1 4.239 0.00 . 2 . . . . A 95 GLY HA2 . 31122 1 1219 . 1 . 1 95 95 GLY HA3 H 1 3.740 0.00 . 2 . . . . A 95 GLY HA3 . 31122 1 1220 . 1 . 1 95 95 GLY C C 13 172.256 0.01 . 1 . . . . A 95 GLY C . 31122 1 1221 . 1 . 1 95 95 GLY CA C 13 44.663 0.02 . 1 . . . . A 95 GLY CA . 31122 1 1222 . 1 . 1 95 95 GLY N N 15 107.057 0.00 . 1 . . . . A 95 GLY N . 31122 1 1223 . 1 . 1 96 96 MET H H 1 8.704 0.00 . 1 . . . . A 96 MET H . 31122 1 1224 . 1 . 1 96 96 MET HA H 1 4.775 0.00 . 1 . . . . A 96 MET HA . 31122 1 1225 . 1 . 1 96 96 MET HB2 H 1 2.217 0.00 . 2 . . . . A 96 MET HB2 . 31122 1 1226 . 1 . 1 96 96 MET HB3 H 1 2.126 0.00 . 2 . . . . A 96 MET HB3 . 31122 1 1227 . 1 . 1 96 96 MET HG2 H 1 2.604 0.00 . 2 . . . . A 96 MET HG2 . 31122 1 1228 . 1 . 1 96 96 MET HG3 H 1 2.604 0.00 . 2 . . . . A 96 MET HG3 . 31122 1 1229 . 1 . 1 96 96 MET HE1 H 1 2.060 0.00 . 1 . . . . A 96 MET HE1 . 31122 1 1230 . 1 . 1 96 96 MET HE2 H 1 2.060 0.00 . 1 . . . . A 96 MET HE2 . 31122 1 1231 . 1 . 1 96 96 MET HE3 H 1 2.060 0.00 . 1 . . . . A 96 MET HE3 . 31122 1 1232 . 1 . 1 96 96 MET C C 13 175.125 0.00 . 1 . . . . A 96 MET C . 31122 1 1233 . 1 . 1 96 96 MET CA C 13 54.927 0.00 . 1 . . . . A 96 MET CA . 31122 1 1234 . 1 . 1 96 96 MET CB C 13 32.990 0.02 . 1 . . . . A 96 MET CB . 31122 1 1235 . 1 . 1 96 96 MET CG C 13 31.601 0.00 . 1 . . . . A 96 MET CG . 31122 1 1236 . 1 . 1 96 96 MET CE C 13 16.657 0.00 . 1 . . . . A 96 MET CE . 31122 1 1237 . 1 . 1 96 96 MET N N 15 120.502 0.01 . 1 . . . . A 96 MET N . 31122 1 1238 . 1 . 1 97 97 ALA H H 1 8.841 0.00 . 1 . . . . A 97 ALA H . 31122 1 1239 . 1 . 1 97 97 ALA HA H 1 4.979 0.00 . 1 . . . . A 97 ALA HA . 31122 1 1240 . 1 . 1 97 97 ALA HB1 H 1 1.288 0.00 . 1 . . . . A 97 ALA HB1 . 31122 1 1241 . 1 . 1 97 97 ALA HB2 H 1 1.288 0.00 . 1 . . . . A 97 ALA HB2 . 31122 1 1242 . 1 . 1 97 97 ALA HB3 H 1 1.288 0.00 . 1 . . . . A 97 ALA HB3 . 31122 1 1243 . 1 . 1 97 97 ALA C C 13 176.755 0.00 . 1 . . . . A 97 ALA C . 31122 1 1244 . 1 . 1 97 97 ALA CA C 13 51.705 0.00 . 1 . . . . A 97 ALA CA . 31122 1 1245 . 1 . 1 97 97 ALA CB C 13 20.693 0.00 . 1 . . . . A 97 ALA CB . 31122 1 1246 . 1 . 1 97 97 ALA N N 15 129.858 0.01 . 1 . . . . A 97 ALA N . 31122 1 1247 . 1 . 1 98 98 VAL H H 1 9.528 0.00 . 1 . . . . A 98 VAL H . 31122 1 1248 . 1 . 1 98 98 VAL HA H 1 5.940 0.00 . 1 . . . . A 98 VAL HA . 31122 1 1249 . 1 . 1 98 98 VAL HB H 1 2.292 0.00 . 1 . . . . A 98 VAL HB . 31122 1 1250 . 1 . 1 98 98 VAL HG11 H 1 0.982 0.00 . 1 . . . . A 98 VAL HG11 . 31122 1 1251 . 1 . 1 98 98 VAL HG12 H 1 0.982 0.00 . 1 . . . . A 98 VAL HG12 . 31122 1 1252 . 1 . 1 98 98 VAL HG13 H 1 0.982 0.00 . 1 . . . . A 98 VAL HG13 . 31122 1 1253 . 1 . 1 98 98 VAL HG21 H 1 0.800 0.00 . 1 . . . . A 98 VAL HG21 . 31122 1 1254 . 1 . 1 98 98 VAL HG22 H 1 0.800 0.00 . 1 . . . . A 98 VAL HG22 . 31122 1 1255 . 1 . 1 98 98 VAL HG23 H 1 0.800 0.00 . 1 . . . . A 98 VAL HG23 . 31122 1 1256 . 1 . 1 98 98 VAL C C 13 175.599 0.01 . 1 . . . . A 98 VAL C . 31122 1 1257 . 1 . 1 98 98 VAL CA C 13 58.471 0.00 . 1 . . . . A 98 VAL CA . 31122 1 1258 . 1 . 1 98 98 VAL CB C 13 36.198 0.00 . 1 . . . . A 98 VAL CB . 31122 1 1259 . 1 . 1 98 98 VAL CG1 C 13 22.520 0.00 . 1 . . . . A 98 VAL CG1 . 31122 1 1260 . 1 . 1 98 98 VAL CG2 C 13 19.594 0.00 . 1 . . . . A 98 VAL CG2 . 31122 1 1261 . 1 . 1 98 98 VAL N N 15 114.926 0.01 . 1 . . . . A 98 VAL N . 31122 1 1262 . 1 . 1 99 99 THR H H 1 8.689 0.00 . 1 . . . . A 99 THR H . 31122 1 1263 . 1 . 1 99 99 THR HA H 1 4.965 0.00 . 1 . . . . A 99 THR HA . 31122 1 1264 . 1 . 1 99 99 THR HB H 1 4.191 0.00 . 1 . . . . A 99 THR HB . 31122 1 1265 . 1 . 1 99 99 THR HG21 H 1 1.177 0.00 . 1 . . . . A 99 THR HG21 . 31122 1 1266 . 1 . 1 99 99 THR HG22 H 1 1.177 0.00 . 1 . . . . A 99 THR HG22 . 31122 1 1267 . 1 . 1 99 99 THR HG23 H 1 1.177 0.00 . 1 . . . . A 99 THR HG23 . 31122 1 1268 . 1 . 1 99 99 THR C C 13 173.218 0.01 . 1 . . . . A 99 THR C . 31122 1 1269 . 1 . 1 99 99 THR CA C 13 60.990 0.00 . 1 . . . . A 99 THR CA . 31122 1 1270 . 1 . 1 99 99 THR CB C 13 72.546 0.00 . 1 . . . . A 99 THR CB . 31122 1 1271 . 1 . 1 99 99 THR CG2 C 13 21.921 0.00 . 1 . . . . A 99 THR CG2 . 31122 1 1272 . 1 . 1 99 99 THR N N 15 110.881 0.01 . 1 . . . . A 99 THR N . 31122 1 1273 . 1 . 1 100 100 ILE H H 1 10.368 0.00 . 1 . . . . A 100 ILE H . 31122 1 1274 . 1 . 1 100 100 ILE HA H 1 4.601 0.00 . 1 . . . . A 100 ILE HA . 31122 1 1275 . 1 . 1 100 100 ILE HB H 1 1.314 0.00 . 1 . . . . A 100 ILE HB . 31122 1 1276 . 1 . 1 100 100 ILE HG12 H 1 0.797 0.00 . 2 . . . . A 100 ILE HG12 . 31122 1 1277 . 1 . 1 100 100 ILE HG13 H 1 0.468 0.00 . 2 . . . . A 100 ILE HG13 . 31122 1 1278 . 1 . 1 100 100 ILE HG21 H 1 -0.015 0.00 . 1 . . . . A 100 ILE HG21 . 31122 1 1279 . 1 . 1 100 100 ILE HG22 H 1 -0.015 0.00 . 1 . . . . A 100 ILE HG22 . 31122 1 1280 . 1 . 1 100 100 ILE HG23 H 1 -0.015 0.00 . 1 . . . . A 100 ILE HG23 . 31122 1 1281 . 1 . 1 100 100 ILE HD11 H 1 -0.260 0.00 . 1 . . . . A 100 ILE HD11 . 31122 1 1282 . 1 . 1 100 100 ILE HD12 H 1 -0.260 0.00 . 1 . . . . A 100 ILE HD12 . 31122 1 1283 . 1 . 1 100 100 ILE HD13 H 1 -0.260 0.00 . 1 . . . . A 100 ILE HD13 . 31122 1 1284 . 1 . 1 100 100 ILE C C 13 174.361 0.02 . 1 . . . . A 100 ILE C . 31122 1 1285 . 1 . 1 100 100 ILE CA C 13 59.649 0.00 . 1 . . . . A 100 ILE CA . 31122 1 1286 . 1 . 1 100 100 ILE CB C 13 39.698 0.00 . 1 . . . . A 100 ILE CB . 31122 1 1287 . 1 . 1 100 100 ILE CG1 C 13 27.843 0.03 . 1 . . . . A 100 ILE CG1 . 31122 1 1288 . 1 . 1 100 100 ILE CG2 C 13 18.483 0.00 . 1 . . . . A 100 ILE CG2 . 31122 1 1289 . 1 . 1 100 100 ILE CD1 C 13 12.341 0.00 . 1 . . . . A 100 ILE CD1 . 31122 1 1290 . 1 . 1 100 100 ILE N N 15 126.939 0.01 . 1 . . . . A 100 ILE N . 31122 1 1291 . 1 . 1 101 101 SER H H 1 9.090 0.00 . 1 . . . . A 101 SER H . 31122 1 1292 . 1 . 1 101 101 SER HA H 1 5.399 0.00 . 1 . . . . A 101 SER HA . 31122 1 1293 . 1 . 1 101 101 SER HB2 H 1 3.791 0.00 . 2 . . . . A 101 SER HB2 . 31122 1 1294 . 1 . 1 101 101 SER HB3 H 1 3.112 0.00 . 2 . . . . A 101 SER HB3 . 31122 1 1295 . 1 . 1 101 101 SER C C 13 170.664 0.00 . 1 . . . . A 101 SER C . 31122 1 1296 . 1 . 1 101 101 SER CA C 13 56.371 0.00 . 1 . . . . A 101 SER CA . 31122 1 1297 . 1 . 1 101 101 SER CB C 13 66.453 0.03 . 1 . . . . A 101 SER CB . 31122 1 1298 . 1 . 1 101 101 SER N N 15 120.341 0.01 . 1 . . . . A 101 SER N . 31122 1 1299 . 1 . 1 102 102 VAL H H 1 8.924 0.00 . 1 . . . . A 102 VAL H . 31122 1 1300 . 1 . 1 102 102 VAL HA H 1 4.830 0.00 . 1 . . . . A 102 VAL HA . 31122 1 1301 . 1 . 1 102 102 VAL HB H 1 1.029 0.00 . 1 . . . . A 102 VAL HB . 31122 1 1302 . 1 . 1 102 102 VAL HG11 H 1 0.162 0.00 . 1 . . . . A 102 VAL HG11 . 31122 1 1303 . 1 . 1 102 102 VAL HG12 H 1 0.162 0.00 . 1 . . . . A 102 VAL HG12 . 31122 1 1304 . 1 . 1 102 102 VAL HG13 H 1 0.162 0.00 . 1 . . . . A 102 VAL HG13 . 31122 1 1305 . 1 . 1 102 102 VAL HG21 H 1 0.368 0.00 . 1 . . . . A 102 VAL HG21 . 31122 1 1306 . 1 . 1 102 102 VAL HG22 H 1 0.368 0.00 . 1 . . . . A 102 VAL HG22 . 31122 1 1307 . 1 . 1 102 102 VAL HG23 H 1 0.368 0.00 . 1 . . . . A 102 VAL HG23 . 31122 1 1308 . 1 . 1 102 102 VAL C C 13 174.546 0.00 . 1 . . . . A 102 VAL C . 31122 1 1309 . 1 . 1 102 102 VAL CA C 13 59.271 0.00 . 1 . . . . A 102 VAL CA . 31122 1 1310 . 1 . 1 102 102 VAL CB C 13 35.223 0.00 . 1 . . . . A 102 VAL CB . 31122 1 1311 . 1 . 1 102 102 VAL CG1 C 13 21.323 0.00 . 1 . . . . A 102 VAL CG1 . 31122 1 1312 . 1 . 1 102 102 VAL CG2 C 13 21.944 0.00 . 1 . . . . A 102 VAL CG2 . 31122 1 1313 . 1 . 1 102 102 VAL N N 15 118.761 0.03 . 1 . . . . A 102 VAL N . 31122 1 1314 . 1 . 1 103 103 LYS H H 1 8.944 0.00 . 1 . . . . A 103 LYS H . 31122 1 1315 . 1 . 1 103 103 LYS HA H 1 4.764 0.00 . 1 . . . . A 103 LYS HA . 31122 1 1316 . 1 . 1 103 103 LYS HB2 H 1 1.568 0.00 . 2 . . . . A 103 LYS HB2 . 31122 1 1317 . 1 . 1 103 103 LYS HB3 H 1 1.190 0.00 . 2 . . . . A 103 LYS HB3 . 31122 1 1318 . 1 . 1 103 103 LYS HG2 H 1 1.075 0.00 . 2 . . . . A 103 LYS HG2 . 31122 1 1319 . 1 . 1 103 103 LYS HG3 H 1 0.870 0.00 . 2 . . . . A 103 LYS HG3 . 31122 1 1320 . 1 . 1 103 103 LYS HD2 H 1 1.231 0.00 . 2 . . . . A 103 LYS HD2 . 31122 1 1321 . 1 . 1 103 103 LYS HD3 H 1 1.180 0.00 . 2 . . . . A 103 LYS HD3 . 31122 1 1322 . 1 . 1 103 103 LYS HE2 H 1 2.682 0.00 . 2 . . . . A 103 LYS HE2 . 31122 1 1323 . 1 . 1 103 103 LYS HE3 H 1 2.684 0.00 . 2 . . . . A 103 LYS HE3 . 31122 1 1324 . 1 . 1 103 103 LYS C C 13 174.787 0.00 . 1 . . . . A 103 LYS C . 31122 1 1325 . 1 . 1 103 103 LYS CA C 13 54.238 0.00 . 1 . . . . A 103 LYS CA . 31122 1 1326 . 1 . 1 103 103 LYS CB C 13 35.807 0.03 . 1 . . . . A 103 LYS CB . 31122 1 1327 . 1 . 1 103 103 LYS CG C 13 24.785 0.01 . 1 . . . . A 103 LYS CG . 31122 1 1328 . 1 . 1 103 103 LYS CD C 13 29.432 0.01 . 1 . . . . A 103 LYS CD . 31122 1 1329 . 1 . 1 103 103 LYS CE C 13 42.056 0.00 . 1 . . . . A 103 LYS CE . 31122 1 1330 . 1 . 1 103 103 LYS N N 15 127.077 0.02 . 1 . . . . A 103 LYS N . 31122 1 1331 . 1 . 1 104 104 CYS H H 1 7.899 0.00 . 1 . . . . A 104 CYS H . 31122 1 1332 . 1 . 1 104 104 CYS HA H 1 4.644 0.00 . 1 . . . . A 104 CYS HA . 31122 1 1333 . 1 . 1 104 104 CYS HB2 H 1 2.834 0.00 . 2 . . . . A 104 CYS HB2 . 31122 1 1334 . 1 . 1 104 104 CYS HB3 H 1 2.707 0.00 . 2 . . . . A 104 CYS HB3 . 31122 1 1335 . 1 . 1 104 104 CYS C C 13 174.181 0.02 . 1 . . . . A 104 CYS C . 31122 1 1336 . 1 . 1 104 104 CYS CA C 13 59.761 0.00 . 1 . . . . A 104 CYS CA . 31122 1 1337 . 1 . 1 104 104 CYS CB C 13 25.788 0.01 . 1 . . . . A 104 CYS CB . 31122 1 1338 . 1 . 1 104 104 CYS N N 15 127.819 0.01 . 1 . . . . A 104 CYS N . 31122 1 1339 . 1 . 1 105 105 GLU H H 1 9.039 0.00 . 1 . . . . A 105 GLU H . 31122 1 1340 . 1 . 1 105 105 GLU HA H 1 4.081 0.00 . 1 . . . . A 105 GLU HA . 31122 1 1341 . 1 . 1 105 105 GLU HB2 H 1 2.111 0.00 . 2 . . . . A 105 GLU HB2 . 31122 1 1342 . 1 . 1 105 105 GLU HB3 H 1 2.111 0.00 . 2 . . . . A 105 GLU HB3 . 31122 1 1343 . 1 . 1 105 105 GLU HG2 H 1 2.285 0.00 . 2 . . . . A 105 GLU HG2 . 31122 1 1344 . 1 . 1 105 105 GLU HG3 H 1 2.218 0.00 . 2 . . . . A 105 GLU HG3 . 31122 1 1345 . 1 . 1 105 105 GLU C C 13 175.985 0.01 . 1 . . . . A 105 GLU C . 31122 1 1346 . 1 . 1 105 105 GLU CA C 13 60.045 0.00 . 1 . . . . A 105 GLU CA . 31122 1 1347 . 1 . 1 105 105 GLU CB C 13 29.341 0.00 . 1 . . . . A 105 GLU CB . 31122 1 1348 . 1 . 1 105 105 GLU CG C 13 36.735 0.01 . 1 . . . . A 105 GLU CG . 31122 1 1349 . 1 . 1 105 105 GLU N N 15 124.533 0.01 . 1 . . . . A 105 GLU N . 31122 1 1350 . 1 . 1 106 106 LYS H H 1 7.938 0.00 . 1 . . . . A 106 LYS H . 31122 1 1351 . 1 . 1 106 106 LYS HA H 1 4.507 0.00 . 1 . . . . A 106 LYS HA . 31122 1 1352 . 1 . 1 106 106 LYS HB2 H 1 1.754 0.00 . 2 . . . . A 106 LYS HB2 . 31122 1 1353 . 1 . 1 106 106 LYS HB3 H 1 1.621 0.00 . 2 . . . . A 106 LYS HB3 . 31122 1 1354 . 1 . 1 106 106 LYS HG2 H 1 1.262 0.00 . 2 . . . . A 106 LYS HG2 . 31122 1 1355 . 1 . 1 106 106 LYS HG3 H 1 1.201 0.00 . 2 . . . . A 106 LYS HG3 . 31122 1 1356 . 1 . 1 106 106 LYS HD2 H 1 1.543 0.00 . 2 . . . . A 106 LYS HD2 . 31122 1 1357 . 1 . 1 106 106 LYS HD3 H 1 1.543 0.00 . 2 . . . . A 106 LYS HD3 . 31122 1 1358 . 1 . 1 106 106 LYS HE2 H 1 2.860 0.00 . 2 . . . . A 106 LYS HE2 . 31122 1 1359 . 1 . 1 106 106 LYS HE3 H 1 2.860 0.00 . 2 . . . . A 106 LYS HE3 . 31122 1 1360 . 1 . 1 106 106 LYS C C 13 175.609 0.00 . 1 . . . . A 106 LYS C . 31122 1 1361 . 1 . 1 106 106 LYS CA C 13 53.950 0.00 . 1 . . . . A 106 LYS CA . 31122 1 1362 . 1 . 1 106 106 LYS CB C 13 34.991 0.00 . 1 . . . . A 106 LYS CB . 31122 1 1363 . 1 . 1 106 106 LYS CG C 13 24.364 0.01 . 1 . . . . A 106 LYS CG . 31122 1 1364 . 1 . 1 106 106 LYS CD C 13 28.979 0.01 . 1 . . . . A 106 LYS CD . 31122 1 1365 . 1 . 1 106 106 LYS CE C 13 41.922 0.00 . 1 . . . . A 106 LYS CE . 31122 1 1366 . 1 . 1 106 106 LYS N N 15 117.398 0.01 . 1 . . . . A 106 LYS N . 31122 1 1367 . 1 . 1 107 107 ILE H H 1 8.312 0.00 . 1 . . . . A 107 ILE H . 31122 1 1368 . 1 . 1 107 107 ILE HA H 1 4.708 0.00 . 1 . . . . A 107 ILE HA . 31122 1 1369 . 1 . 1 107 107 ILE HB H 1 1.654 0.00 . 1 . . . . A 107 ILE HB . 31122 1 1370 . 1 . 1 107 107 ILE HG12 H 1 1.466 0.00 . 2 . . . . A 107 ILE HG12 . 31122 1 1371 . 1 . 1 107 107 ILE HG13 H 1 0.676 0.00 . 2 . . . . A 107 ILE HG13 . 31122 1 1372 . 1 . 1 107 107 ILE HG21 H 1 0.693 0.00 . 1 . . . . A 107 ILE HG21 . 31122 1 1373 . 1 . 1 107 107 ILE HG22 H 1 0.693 0.00 . 1 . . . . A 107 ILE HG22 . 31122 1 1374 . 1 . 1 107 107 ILE HG23 H 1 0.693 0.00 . 1 . . . . A 107 ILE HG23 . 31122 1 1375 . 1 . 1 107 107 ILE HD11 H 1 0.648 0.00 . 1 . . . . A 107 ILE HD11 . 31122 1 1376 . 1 . 1 107 107 ILE HD12 H 1 0.648 0.00 . 1 . . . . A 107 ILE HD12 . 31122 1 1377 . 1 . 1 107 107 ILE HD13 H 1 0.648 0.00 . 1 . . . . A 107 ILE HD13 . 31122 1 1378 . 1 . 1 107 107 ILE C C 13 175.315 0.01 . 1 . . . . A 107 ILE C . 31122 1 1379 . 1 . 1 107 107 ILE CA C 13 61.024 0.00 . 1 . . . . A 107 ILE CA . 31122 1 1380 . 1 . 1 107 107 ILE CB C 13 38.307 0.00 . 1 . . . . A 107 ILE CB . 31122 1 1381 . 1 . 1 107 107 ILE CG1 C 13 28.581 0.03 . 1 . . . . A 107 ILE CG1 . 31122 1 1382 . 1 . 1 107 107 ILE CG2 C 13 17.682 0.00 . 1 . . . . A 107 ILE CG2 . 31122 1 1383 . 1 . 1 107 107 ILE CD1 C 13 13.027 0.00 . 1 . . . . A 107 ILE CD1 . 31122 1 1384 . 1 . 1 107 107 ILE N N 15 121.833 0.02 . 1 . . . . A 107 ILE N . 31122 1 1385 . 1 . 1 108 108 SER H H 1 8.577 0.00 . 1 . . . . A 108 SER H . 31122 1 1386 . 1 . 1 108 108 SER HA H 1 5.248 0.00 . 1 . . . . A 108 SER HA . 31122 1 1387 . 1 . 1 108 108 SER HB2 H 1 3.673 0.00 . 2 . . . . A 108 SER HB2 . 31122 1 1388 . 1 . 1 108 108 SER HB3 H 1 3.220 0.00 . 2 . . . . A 108 SER HB3 . 31122 1 1389 . 1 . 1 108 108 SER C C 13 173.377 0.01 . 1 . . . . A 108 SER C . 31122 1 1390 . 1 . 1 108 108 SER CA C 13 57.253 0.00 . 1 . . . . A 108 SER CA . 31122 1 1391 . 1 . 1 108 108 SER CB C 13 65.597 0.01 . 1 . . . . A 108 SER CB . 31122 1 1392 . 1 . 1 108 108 SER N N 15 121.784 0.02 . 1 . . . . A 108 SER N . 31122 1 1393 . 1 . 1 109 109 THR H H 1 9.556 0.00 . 1 . . . . A 109 THR H . 31122 1 1394 . 1 . 1 109 109 THR HA H 1 4.812 0.00 . 1 . . . . A 109 THR HA . 31122 1 1395 . 1 . 1 109 109 THR HB H 1 3.656 0.00 . 1 . . . . A 109 THR HB . 31122 1 1396 . 1 . 1 109 109 THR HG21 H 1 1.205 0.00 . 1 . . . . A 109 THR HG21 . 31122 1 1397 . 1 . 1 109 109 THR HG22 H 1 1.205 0.00 . 1 . . . . A 109 THR HG22 . 31122 1 1398 . 1 . 1 109 109 THR HG23 H 1 1.205 0.00 . 1 . . . . A 109 THR HG23 . 31122 1 1399 . 1 . 1 109 109 THR C C 13 172.421 0.01 . 1 . . . . A 109 THR C . 31122 1 1400 . 1 . 1 109 109 THR CA C 13 63.566 0.00 . 1 . . . . A 109 THR CA . 31122 1 1401 . 1 . 1 109 109 THR CB C 13 71.805 0.00 . 1 . . . . A 109 THR CB . 31122 1 1402 . 1 . 1 109 109 THR CG2 C 13 21.634 0.00 . 1 . . . . A 109 THR CG2 . 31122 1 1403 . 1 . 1 109 109 THR N N 15 121.878 0.02 . 1 . . . . A 109 THR N . 31122 1 1404 . 1 . 1 110 110 LEU H H 1 8.938 0.00 . 1 . . . . A 110 LEU H . 31122 1 1405 . 1 . 1 110 110 LEU HA H 1 3.643 0.00 . 1 . . . . A 110 LEU HA . 31122 1 1406 . 1 . 1 110 110 LEU HB2 H 1 1.572 0.00 . 2 . . . . A 110 LEU HB2 . 31122 1 1407 . 1 . 1 110 110 LEU HB3 H 1 0.926 0.00 . 2 . . . . A 110 LEU HB3 . 31122 1 1408 . 1 . 1 110 110 LEU HG H 1 1.006 0.00 . 1 . . . . A 110 LEU HG . 31122 1 1409 . 1 . 1 110 110 LEU HD11 H 1 0.362 0.00 . 1 . . . . A 110 LEU HD11 . 31122 1 1410 . 1 . 1 110 110 LEU HD12 H 1 0.362 0.00 . 1 . . . . A 110 LEU HD12 . 31122 1 1411 . 1 . 1 110 110 LEU HD13 H 1 0.362 0.00 . 1 . . . . A 110 LEU HD13 . 31122 1 1412 . 1 . 1 110 110 LEU HD21 H 1 0.417 0.00 . 1 . . . . A 110 LEU HD21 . 31122 1 1413 . 1 . 1 110 110 LEU HD22 H 1 0.417 0.00 . 1 . . . . A 110 LEU HD22 . 31122 1 1414 . 1 . 1 110 110 LEU HD23 H 1 0.417 0.00 . 1 . . . . A 110 LEU HD23 . 31122 1 1415 . 1 . 1 110 110 LEU C C 13 174.306 0.00 . 1 . . . . A 110 LEU C . 31122 1 1416 . 1 . 1 110 110 LEU CA C 13 56.412 0.00 . 1 . . . . A 110 LEU CA . 31122 1 1417 . 1 . 1 110 110 LEU CB C 13 42.798 0.00 . 1 . . . . A 110 LEU CB . 31122 1 1418 . 1 . 1 110 110 LEU CG C 13 27.132 0.00 . 1 . . . . A 110 LEU CG . 31122 1 1419 . 1 . 1 110 110 LEU CD1 C 13 27.041 0.00 . 1 . . . . A 110 LEU CD1 . 31122 1 1420 . 1 . 1 110 110 LEU CD2 C 13 26.787 0.00 . 1 . . . . A 110 LEU CD2 . 31122 1 1421 . 1 . 1 110 110 LEU N N 15 131.094 0.00 . 1 . . . . A 110 LEU N . 31122 1 1422 . 1 . 1 111 111 SER H H 1 8.630 0.00 . 1 . . . . A 111 SER H . 31122 1 1423 . 1 . 1 111 111 SER HA H 1 5.046 0.00 . 1 . . . . A 111 SER HA . 31122 1 1424 . 1 . 1 111 111 SER HB2 H 1 3.437 0.00 . 2 . . . . A 111 SER HB2 . 31122 1 1425 . 1 . 1 111 111 SER HB3 H 1 3.423 0.00 . 2 . . . . A 111 SER HB3 . 31122 1 1426 . 1 . 1 111 111 SER C C 13 174.433 0.05 . 1 . . . . A 111 SER C . 31122 1 1427 . 1 . 1 111 111 SER CA C 13 55.046 0.00 . 1 . . . . A 111 SER CA . 31122 1 1428 . 1 . 1 111 111 SER CB C 13 65.299 0.00 . 1 . . . . A 111 SER CB . 31122 1 1429 . 1 . 1 111 111 SER N N 15 117.822 0.02 . 1 . . . . A 111 SER N . 31122 1 1430 . 1 . 1 112 112 CYS H H 1 8.695 0.00 . 1 . . . . A 112 CYS H . 31122 1 1431 . 1 . 1 112 112 CYS HA H 1 5.690 0.00 . 1 . . . . A 112 CYS HA . 31122 1 1432 . 1 . 1 112 112 CYS HB2 H 1 2.888 0.00 . 2 . . . . A 112 CYS HB2 . 31122 1 1433 . 1 . 1 112 112 CYS HB3 H 1 2.454 0.00 . 2 . . . . A 112 CYS HB3 . 31122 1 1434 . 1 . 1 112 112 CYS C C 13 173.780 0.01 . 1 . . . . A 112 CYS C . 31122 1 1435 . 1 . 1 112 112 CYS CA C 13 55.916 0.00 . 1 . . . . A 112 CYS CA . 31122 1 1436 . 1 . 1 112 112 CYS CB C 13 29.211 0.01 . 1 . . . . A 112 CYS CB . 31122 1 1437 . 1 . 1 112 112 CYS N N 15 120.239 0.01 . 1 . . . . A 112 CYS N . 31122 1 1438 . 1 . 1 113 113 GLU H H 1 7.963 0.00 . 1 . . . . A 113 GLU H . 31122 1 1439 . 1 . 1 113 113 GLU HA H 1 4.002 0.00 . 1 . . . . A 113 GLU HA . 31122 1 1440 . 1 . 1 113 113 GLU HB2 H 1 1.782 0.00 . 2 . . . . A 113 GLU HB2 . 31122 1 1441 . 1 . 1 113 113 GLU HB3 H 1 1.782 0.00 . 2 . . . . A 113 GLU HB3 . 31122 1 1442 . 1 . 1 113 113 GLU HG2 H 1 2.104 0.00 . 2 . . . . A 113 GLU HG2 . 31122 1 1443 . 1 . 1 113 113 GLU HG3 H 1 2.104 0.00 . 2 . . . . A 113 GLU HG3 . 31122 1 1444 . 1 . 1 113 113 GLU C C 13 177.137 0.01 . 1 . . . . A 113 GLU C . 31122 1 1445 . 1 . 1 113 113 GLU CA C 13 57.991 0.00 . 1 . . . . A 113 GLU CA . 31122 1 1446 . 1 . 1 113 113 GLU CB C 13 29.791 0.00 . 1 . . . . A 113 GLU CB . 31122 1 1447 . 1 . 1 113 113 GLU CG C 13 35.599 0.00 . 1 . . . . A 113 GLU CG . 31122 1 1448 . 1 . 1 113 113 GLU N N 15 123.422 0.01 . 1 . . . . A 113 GLU N . 31122 1 1449 . 1 . 1 114 114 ASN H H 1 8.641 0.00 . 1 . . . . A 114 ASN H . 31122 1 1450 . 1 . 1 114 114 ASN HA H 1 4.124 0.00 . 1 . . . . A 114 ASN HA . 31122 1 1451 . 1 . 1 114 114 ASN HB2 H 1 2.894 0.00 . 2 . . . . A 114 ASN HB2 . 31122 1 1452 . 1 . 1 114 114 ASN HB3 H 1 2.851 0.00 . 2 . . . . A 114 ASN HB3 . 31122 1 1453 . 1 . 1 114 114 ASN HD21 H 1 7.522 0.00 . 1 . . . . A 114 ASN HD21 . 31122 1 1454 . 1 . 1 114 114 ASN HD22 H 1 6.865 0.00 . 1 . . . . A 114 ASN HD22 . 31122 1 1455 . 1 . 1 114 114 ASN C C 13 173.172 0.00 . 1 . . . . A 114 ASN C . 31122 1 1456 . 1 . 1 114 114 ASN CA C 13 55.025 0.00 . 1 . . . . A 114 ASN CA . 31122 1 1457 . 1 . 1 114 114 ASN CB C 13 37.025 0.01 . 1 . . . . A 114 ASN CB . 31122 1 1458 . 1 . 1 114 114 ASN CG C 13 178.392 0.01 . 1 . . . . A 114 ASN CG . 31122 1 1459 . 1 . 1 114 114 ASN N N 15 118.900 0.01 . 1 . . . . A 114 ASN N . 31122 1 1460 . 1 . 1 114 114 ASN ND2 N 15 114.166 0.00 . 1 . . . . A 114 ASN ND2 . 31122 1 1461 . 1 . 1 115 115 LYS H H 1 8.172 0.00 . 1 . . . . A 115 LYS H . 31122 1 1462 . 1 . 1 115 115 LYS HA H 1 2.825 0.00 . 1 . . . . A 115 LYS HA . 31122 1 1463 . 1 . 1 115 115 LYS HB2 H 1 1.546 0.00 . 2 . . . . A 115 LYS HB2 . 31122 1 1464 . 1 . 1 115 115 LYS HB3 H 1 1.502 0.00 . 2 . . . . A 115 LYS HB3 . 31122 1 1465 . 1 . 1 115 115 LYS HG2 H 1 -0.155 0.00 . 2 . . . . A 115 LYS HG2 . 31122 1 1466 . 1 . 1 115 115 LYS HG3 H 1 -0.463 0.00 . 2 . . . . A 115 LYS HG3 . 31122 1 1467 . 1 . 1 115 115 LYS HD2 H 1 0.873 0.00 . 2 . . . . A 115 LYS HD2 . 31122 1 1468 . 1 . 1 115 115 LYS HD3 H 1 0.873 0.00 . 2 . . . . A 115 LYS HD3 . 31122 1 1469 . 1 . 1 115 115 LYS HE2 H 1 2.180 0.00 . 2 . . . . A 115 LYS HE2 . 31122 1 1470 . 1 . 1 115 115 LYS HE3 H 1 2.088 0.00 . 2 . . . . A 115 LYS HE3 . 31122 1 1471 . 1 . 1 115 115 LYS C C 13 173.777 0.00 . 1 . . . . A 115 LYS C . 31122 1 1472 . 1 . 1 115 115 LYS CA C 13 58.188 0.00 . 1 . . . . A 115 LYS CA . 31122 1 1473 . 1 . 1 115 115 LYS CB C 13 29.126 0.00 . 1 . . . . A 115 LYS CB . 31122 1 1474 . 1 . 1 115 115 LYS CG C 13 24.396 0.00 . 1 . . . . A 115 LYS CG . 31122 1 1475 . 1 . 1 115 115 LYS CD C 13 29.472 0.00 . 1 . . . . A 115 LYS CD . 31122 1 1476 . 1 . 1 115 115 LYS CE C 13 42.056 0.01 . 1 . . . . A 115 LYS CE . 31122 1 1477 . 1 . 1 115 115 LYS N N 15 110.463 0.00 . 1 . . . . A 115 LYS N . 31122 1 1478 . 1 . 1 116 116 ILE H H 1 7.012 0.00 . 1 . . . . A 116 ILE H . 31122 1 1479 . 1 . 1 116 116 ILE HA H 1 4.214 0.00 . 1 . . . . A 116 ILE HA . 31122 1 1480 . 1 . 1 116 116 ILE HB H 1 1.677 0.00 . 1 . . . . A 116 ILE HB . 31122 1 1481 . 1 . 1 116 116 ILE HG12 H 1 1.316 0.00 . 2 . . . . A 116 ILE HG12 . 31122 1 1482 . 1 . 1 116 116 ILE HG13 H 1 0.934 0.00 . 2 . . . . A 116 ILE HG13 . 31122 1 1483 . 1 . 1 116 116 ILE HG21 H 1 0.761 0.00 . 1 . . . . A 116 ILE HG21 . 31122 1 1484 . 1 . 1 116 116 ILE HG22 H 1 0.761 0.00 . 1 . . . . A 116 ILE HG22 . 31122 1 1485 . 1 . 1 116 116 ILE HG23 H 1 0.761 0.00 . 1 . . . . A 116 ILE HG23 . 31122 1 1486 . 1 . 1 116 116 ILE HD11 H 1 0.743 0.00 . 1 . . . . A 116 ILE HD11 . 31122 1 1487 . 1 . 1 116 116 ILE HD12 H 1 0.743 0.00 . 1 . . . . A 116 ILE HD12 . 31122 1 1488 . 1 . 1 116 116 ILE HD13 H 1 0.743 0.00 . 1 . . . . A 116 ILE HD13 . 31122 1 1489 . 1 . 1 116 116 ILE C C 13 174.742 0.01 . 1 . . . . A 116 ILE C . 31122 1 1490 . 1 . 1 116 116 ILE CA C 13 59.220 0.00 . 1 . . . . A 116 ILE CA . 31122 1 1491 . 1 . 1 116 116 ILE CB C 13 41.325 0.00 . 1 . . . . A 116 ILE CB . 31122 1 1492 . 1 . 1 116 116 ILE CG1 C 13 26.447 0.04 . 1 . . . . A 116 ILE CG1 . 31122 1 1493 . 1 . 1 116 116 ILE CG2 C 13 17.508 0.00 . 1 . . . . A 116 ILE CG2 . 31122 1 1494 . 1 . 1 116 116 ILE CD1 C 13 13.154 0.00 . 1 . . . . A 116 ILE CD1 . 31122 1 1495 . 1 . 1 116 116 ILE N N 15 118.757 0.01 . 1 . . . . A 116 ILE N . 31122 1 1496 . 1 . 1 117 117 ILE H H 1 8.326 0.00 . 1 . . . . A 117 ILE H . 31122 1 1497 . 1 . 1 117 117 ILE HA H 1 4.554 0.00 . 1 . . . . A 117 ILE HA . 31122 1 1498 . 1 . 1 117 117 ILE HB H 1 1.945 0.00 . 1 . . . . A 117 ILE HB . 31122 1 1499 . 1 . 1 117 117 ILE HG12 H 1 1.467 0.00 . 2 . . . . A 117 ILE HG12 . 31122 1 1500 . 1 . 1 117 117 ILE HG13 H 1 1.087 0.00 . 2 . . . . A 117 ILE HG13 . 31122 1 1501 . 1 . 1 117 117 ILE HG21 H 1 0.564 0.00 . 1 . . . . A 117 ILE HG21 . 31122 1 1502 . 1 . 1 117 117 ILE HG22 H 1 0.564 0.00 . 1 . . . . A 117 ILE HG22 . 31122 1 1503 . 1 . 1 117 117 ILE HG23 H 1 0.564 0.00 . 1 . . . . A 117 ILE HG23 . 31122 1 1504 . 1 . 1 117 117 ILE HD11 H 1 0.506 0.00 . 1 . . . . A 117 ILE HD11 . 31122 1 1505 . 1 . 1 117 117 ILE HD12 H 1 0.506 0.00 . 1 . . . . A 117 ILE HD12 . 31122 1 1506 . 1 . 1 117 117 ILE HD13 H 1 0.506 0.00 . 1 . . . . A 117 ILE HD13 . 31122 1 1507 . 1 . 1 117 117 ILE C C 13 176.359 0.02 . 1 . . . . A 117 ILE C . 31122 1 1508 . 1 . 1 117 117 ILE CA C 13 58.730 0.00 . 1 . . . . A 117 ILE CA . 31122 1 1509 . 1 . 1 117 117 ILE CB C 13 35.500 0.00 . 1 . . . . A 117 ILE CB . 31122 1 1510 . 1 . 1 117 117 ILE CG1 C 13 26.786 0.07 . 1 . . . . A 117 ILE CG1 . 31122 1 1511 . 1 . 1 117 117 ILE CG2 C 13 18.019 0.00 . 1 . . . . A 117 ILE CG2 . 31122 1 1512 . 1 . 1 117 117 ILE CD1 C 13 10.836 0.00 . 1 . . . . A 117 ILE CD1 . 31122 1 1513 . 1 . 1 117 117 ILE N N 15 122.906 0.03 . 1 . . . . A 117 ILE N . 31122 1 1514 . 1 . 1 118 118 SER H H 1 8.916 0.00 . 1 . . . . A 118 SER H . 31122 1 1515 . 1 . 1 118 118 SER HA H 1 4.696 0.00 . 1 . . . . A 118 SER HA . 31122 1 1516 . 1 . 1 118 118 SER HB2 H 1 3.666 0.00 . 2 . . . . A 118 SER HB2 . 31122 1 1517 . 1 . 1 118 118 SER HB3 H 1 3.696 0.00 . 2 . . . . A 118 SER HB3 . 31122 1 1518 . 1 . 1 118 118 SER C C 13 171.203 0.01 . 1 . . . . A 118 SER C . 31122 1 1519 . 1 . 1 118 118 SER CA C 13 57.031 0.00 . 1 . . . . A 118 SER CA . 31122 1 1520 . 1 . 1 118 118 SER CB C 13 65.769 0.00 . 1 . . . . A 118 SER CB . 31122 1 1521 . 1 . 1 118 118 SER N N 15 124.161 0.01 . 1 . . . . A 118 SER N . 31122 1 1522 . 1 . 1 119 119 PHE H H 1 8.502 0.00 . 1 . . . . A 119 PHE H . 31122 1 1523 . 1 . 1 119 119 PHE HA H 1 4.990 0.00 . 1 . . . . A 119 PHE HA . 31122 1 1524 . 1 . 1 119 119 PHE HB2 H 1 2.929 0.00 . 2 . . . . A 119 PHE HB2 . 31122 1 1525 . 1 . 1 119 119 PHE HB3 H 1 2.753 0.00 . 2 . . . . A 119 PHE HB3 . 31122 1 1526 . 1 . 1 119 119 PHE HD1 H 1 6.930 0.00 . 3 . . . . A 119 PHE HD1 . 31122 1 1527 . 1 . 1 119 119 PHE HD2 H 1 6.930 0.00 . 3 . . . . A 119 PHE HD2 . 31122 1 1528 . 1 . 1 119 119 PHE HE1 H 1 6.983 0.00 . 3 . . . . A 119 PHE HE1 . 31122 1 1529 . 1 . 1 119 119 PHE HE2 H 1 6.983 0.00 . 3 . . . . A 119 PHE HE2 . 31122 1 1530 . 1 . 1 119 119 PHE HZ H 1 6.875 0.00 . 1 . . . . A 119 PHE HZ . 31122 1 1531 . 1 . 1 119 119 PHE C C 13 175.592 0.00 . 1 . . . . A 119 PHE C . 31122 1 1532 . 1 . 1 119 119 PHE CA C 13 57.363 0.00 . 1 . . . . A 119 PHE CA . 31122 1 1533 . 1 . 1 119 119 PHE CB C 13 41.762 0.00 . 1 . . . . A 119 PHE CB . 31122 1 1534 . 1 . 1 119 119 PHE CD1 C 13 131.860 0.00 . 3 . . . . A 119 PHE CD1 . 31122 1 1535 . 1 . 1 119 119 PHE CD2 C 13 131.860 0.00 . 3 . . . . A 119 PHE CD2 . 31122 1 1536 . 1 . 1 119 119 PHE CE1 C 13 131.229 0.00 . 3 . . . . A 119 PHE CE1 . 31122 1 1537 . 1 . 1 119 119 PHE CE2 C 13 131.212 0.00 . 3 . . . . A 119 PHE CE2 . 31122 1 1538 . 1 . 1 119 119 PHE CZ C 13 129.267 0.00 . 1 . . . . A 119 PHE CZ . 31122 1 1539 . 1 . 1 119 119 PHE N N 15 118.350 0.01 . 1 . . . . A 119 PHE N . 31122 1 1540 . 1 . 1 120 120 LYS H H 1 8.949 0.00 . 1 . . . . A 120 LYS H . 31122 1 1541 . 1 . 1 120 120 LYS HA H 1 4.626 0.00 . 1 . . . . A 120 LYS HA . 31122 1 1542 . 1 . 1 120 120 LYS HB2 H 1 1.712 0.00 . 2 . . . . A 120 LYS HB2 . 31122 1 1543 . 1 . 1 120 120 LYS HB3 H 1 1.585 0.00 . 2 . . . . A 120 LYS HB3 . 31122 1 1544 . 1 . 1 120 120 LYS HG2 H 1 1.307 0.00 . 2 . . . . A 120 LYS HG2 . 31122 1 1545 . 1 . 1 120 120 LYS HG3 H 1 1.307 0.00 . 2 . . . . A 120 LYS HG3 . 31122 1 1546 . 1 . 1 120 120 LYS HD2 H 1 1.573 0.00 . 2 . . . . A 120 LYS HD2 . 31122 1 1547 . 1 . 1 120 120 LYS HD3 H 1 1.491 0.00 . 2 . . . . A 120 LYS HD3 . 31122 1 1548 . 1 . 1 120 120 LYS HE2 H 1 2.843 0.00 . 2 . . . . A 120 LYS HE2 . 31122 1 1549 . 1 . 1 120 120 LYS HE3 H 1 2.842 0.00 . 2 . . . . A 120 LYS HE3 . 31122 1 1550 . 1 . 1 120 120 LYS C C 13 176.268 0.00 . 1 . . . . A 120 LYS C . 31122 1 1551 . 1 . 1 120 120 LYS CA C 13 54.475 0.00 . 1 . . . . A 120 LYS CA . 31122 1 1552 . 1 . 1 120 120 LYS CB C 13 35.578 0.00 . 1 . . . . A 120 LYS CB . 31122 1 1553 . 1 . 1 120 120 LYS CG C 13 24.748 0.00 . 1 . . . . A 120 LYS CG . 31122 1 1554 . 1 . 1 120 120 LYS CD C 13 29.169 0.00 . 1 . . . . A 120 LYS CD . 31122 1 1555 . 1 . 1 120 120 LYS CE C 13 41.986 0.00 . 1 . . . . A 120 LYS CE . 31122 1 1556 . 1 . 1 120 120 LYS N N 15 121.950 0.00 . 1 . . . . A 120 LYS N . 31122 1 1557 . 1 . 1 121 121 GLU H H 1 8.912 0.00 . 1 . . . . A 121 GLU H . 31122 1 1558 . 1 . 1 121 121 GLU HA H 1 4.496 0.00 . 1 . . . . A 121 GLU HA . 31122 1 1559 . 1 . 1 121 121 GLU HB2 H 1 2.006 0.00 . 2 . . . . A 121 GLU HB2 . 31122 1 1560 . 1 . 1 121 121 GLU HB3 H 1 1.868 0.00 . 2 . . . . A 121 GLU HB3 . 31122 1 1561 . 1 . 1 121 121 GLU HG2 H 1 2.196 0.00 . 2 . . . . A 121 GLU HG2 . 31122 1 1562 . 1 . 1 121 121 GLU HG3 H 1 2.086 0.00 . 2 . . . . A 121 GLU HG3 . 31122 1 1563 . 1 . 1 121 121 GLU C C 13 174.267 0.02 . 1 . . . . A 121 GLU C . 31122 1 1564 . 1 . 1 121 121 GLU CA C 13 56.876 0.00 . 1 . . . . A 121 GLU CA . 31122 1 1565 . 1 . 1 121 121 GLU CB C 13 28.298 0.00 . 1 . . . . A 121 GLU CB . 31122 1 1566 . 1 . 1 121 121 GLU CG C 13 36.430 0.01 . 1 . . . . A 121 GLU CG . 31122 1 1567 . 1 . 1 121 121 GLU N N 15 125.688 0.01 . 1 . . . . A 121 GLU N . 31122 1 1568 . 1 . 1 122 122 MET H H 1 7.983 0.00 . 1 . . . . A 122 MET H . 31122 1 1569 . 1 . 1 122 122 MET HA H 1 4.457 0.00 . 1 . . . . A 122 MET HA . 31122 1 1570 . 1 . 1 122 122 MET HB2 H 1 1.975 0.00 . 2 . . . . A 122 MET HB2 . 31122 1 1571 . 1 . 1 122 122 MET HB3 H 1 1.975 0.00 . 2 . . . . A 122 MET HB3 . 31122 1 1572 . 1 . 1 122 122 MET HG2 H 1 2.324 0.00 . 2 . . . . A 122 MET HG2 . 31122 1 1573 . 1 . 1 122 122 MET HG3 H 1 2.145 0.00 . 2 . . . . A 122 MET HG3 . 31122 1 1574 . 1 . 1 122 122 MET HE1 H 1 1.949 0.00 . 1 . . . . A 122 MET HE1 . 31122 1 1575 . 1 . 1 122 122 MET HE2 H 1 1.949 0.00 . 1 . . . . A 122 MET HE2 . 31122 1 1576 . 1 . 1 122 122 MET HE3 H 1 1.949 0.00 . 1 . . . . A 122 MET HE3 . 31122 1 1577 . 1 . 1 122 122 MET C C 13 173.781 0.00 . 1 . . . . A 122 MET C . 31122 1 1578 . 1 . 1 122 122 MET CA C 13 55.416 0.00 . 1 . . . . A 122 MET CA . 31122 1 1579 . 1 . 1 122 122 MET CB C 13 34.455 0.00 . 1 . . . . A 122 MET CB . 31122 1 1580 . 1 . 1 122 122 MET CG C 13 30.487 0.03 . 1 . . . . A 122 MET CG . 31122 1 1581 . 1 . 1 122 122 MET CE C 13 17.297 0.00 . 1 . . . . A 122 MET CE . 31122 1 1582 . 1 . 1 122 122 MET N N 15 125.103 0.01 . 1 . . . . A 122 MET N . 31122 1 1583 . 1 . 1 123 123 ASN H H 1 8.679 0.00 . 1 . . . . A 123 ASN H . 31122 1 1584 . 1 . 1 123 123 ASN HA H 1 4.652 0.00 . 1 . . . . A 123 ASN HA . 31122 1 1585 . 1 . 1 123 123 ASN HB2 H 1 2.497 0.00 . 2 . . . . A 123 ASN HB2 . 31122 1 1586 . 1 . 1 123 123 ASN HB3 H 1 2.440 0.00 . 2 . . . . A 123 ASN HB3 . 31122 1 1587 . 1 . 1 123 123 ASN HD21 H 1 7.512 0.00 . 1 . . . . A 123 ASN HD21 . 31122 1 1588 . 1 . 1 123 123 ASN HD22 H 1 6.792 0.00 . 1 . . . . A 123 ASN HD22 . 31122 1 1589 . 1 . 1 123 123 ASN C C 13 172.476 0.00 . 1 . . . . A 123 ASN C . 31122 1 1590 . 1 . 1 123 123 ASN CA C 13 50.840 0.00 . 1 . . . . A 123 ASN CA . 31122 1 1591 . 1 . 1 123 123 ASN CB C 13 37.361 0.00 . 1 . . . . A 123 ASN CB . 31122 1 1592 . 1 . 1 123 123 ASN CG C 13 175.702 0.02 . 1 . . . . A 123 ASN CG . 31122 1 1593 . 1 . 1 123 123 ASN N N 15 122.862 0.00 . 1 . . . . A 123 ASN N . 31122 1 1594 . 1 . 1 123 123 ASN ND2 N 15 112.142 0.00 . 1 . . . . A 123 ASN ND2 . 31122 1 1595 . 1 . 1 124 124 PRO HD2 H 1 3.375 0.00 . 2 . . . . A 124 PRO HD2 . 31122 1 1596 . 1 . 1 124 124 PRO HD3 H 1 3.263 0.00 . 2 . . . . A 124 PRO HD3 . 31122 1 1597 . 1 . 1 124 124 PRO CD C 13 49.556 0.02 . 1 . . . . A 124 PRO CD . 31122 1 1598 . 1 . 1 125 125 PRO HA H 1 4.379 0.00 . 1 . . . . A 125 PRO HA . 31122 1 1599 . 1 . 1 125 125 PRO HB2 H 1 2.216 0.00 . 2 . . . . A 125 PRO HB2 . 31122 1 1600 . 1 . 1 125 125 PRO HB3 H 1 1.881 0.00 . 2 . . . . A 125 PRO HB3 . 31122 1 1601 . 1 . 1 125 125 PRO HG2 H 1 1.803 0.00 . 2 . . . . A 125 PRO HG2 . 31122 1 1602 . 1 . 1 125 125 PRO HG3 H 1 1.721 0.00 . 2 . . . . A 125 PRO HG3 . 31122 1 1603 . 1 . 1 125 125 PRO C C 13 176.875 0.00 . 1 . . . . A 125 PRO C . 31122 1 1604 . 1 . 1 125 125 PRO CA C 13 62.342 0.00 . 1 . . . . A 125 PRO CA . 31122 1 1605 . 1 . 1 125 125 PRO CB C 13 32.391 0.00 . 1 . . . . A 125 PRO CB . 31122 1 1606 . 1 . 1 125 125 PRO CG C 13 27.380 0.00 . 1 . . . . A 125 PRO CG . 31122 1 1607 . 1 . 1 126 126 ASP H H 1 8.616 0.00 . 1 . . . . A 126 ASP H . 31122 1 1608 . 1 . 1 126 126 ASP HA H 1 4.444 0.00 . 1 . . . . A 126 ASP HA . 31122 1 1609 . 1 . 1 126 126 ASP HB2 H 1 2.662 0.00 . 2 . . . . A 126 ASP HB2 . 31122 1 1610 . 1 . 1 126 126 ASP HB3 H 1 2.600 0.00 . 2 . . . . A 126 ASP HB3 . 31122 1 1611 . 1 . 1 126 126 ASP C C 13 175.581 0.00 . 1 . . . . A 126 ASP C . 31122 1 1612 . 1 . 1 126 126 ASP CA C 13 55.602 0.00 . 1 . . . . A 126 ASP CA . 31122 1 1613 . 1 . 1 126 126 ASP CB C 13 40.980 0.00 . 1 . . . . A 126 ASP CB . 31122 1 1614 . 1 . 1 126 126 ASP N N 15 120.547 0.01 . 1 . . . . A 126 ASP N . 31122 1 1615 . 1 . 1 127 127 ASN H H 1 7.637 0.00 . 1 . . . . A 127 ASN H . 31122 1 1616 . 1 . 1 127 127 ASN HA H 1 4.737 0.00 . 1 . . . . A 127 ASN HA . 31122 1 1617 . 1 . 1 127 127 ASN HB2 H 1 2.748 0.00 . 2 . . . . A 127 ASN HB2 . 31122 1 1618 . 1 . 1 127 127 ASN HB3 H 1 2.655 0.00 . 2 . . . . A 127 ASN HB3 . 31122 1 1619 . 1 . 1 127 127 ASN HD21 H 1 7.649 0.00 . 1 . . . . A 127 ASN HD21 . 31122 1 1620 . 1 . 1 127 127 ASN HD22 H 1 6.870 0.00 . 1 . . . . A 127 ASN HD22 . 31122 1 1621 . 1 . 1 127 127 ASN C C 13 174.501 0.01 . 1 . . . . A 127 ASN C . 31122 1 1622 . 1 . 1 127 127 ASN CA C 13 52.107 0.00 . 1 . . . . A 127 ASN CA . 31122 1 1623 . 1 . 1 127 127 ASN CB C 13 40.988 0.00 . 1 . . . . A 127 ASN CB . 31122 1 1624 . 1 . 1 127 127 ASN CG C 13 176.767 0.01 . 1 . . . . A 127 ASN CG . 31122 1 1625 . 1 . 1 127 127 ASN N N 15 114.250 0.01 . 1 . . . . A 127 ASN N . 31122 1 1626 . 1 . 1 127 127 ASN ND2 N 15 114.139 0.03 . 1 . . . . A 127 ASN ND2 . 31122 1 1627 . 1 . 1 128 128 ILE H H 1 8.499 0.00 . 1 . . . . A 128 ILE H . 31122 1 1628 . 1 . 1 128 128 ILE HA H 1 3.914 0.00 . 1 . . . . A 128 ILE HA . 31122 1 1629 . 1 . 1 128 128 ILE HB H 1 1.462 0.00 . 1 . . . . A 128 ILE HB . 31122 1 1630 . 1 . 1 128 128 ILE HG12 H 1 0.867 0.00 . 2 . . . . A 128 ILE HG12 . 31122 1 1631 . 1 . 1 128 128 ILE HG13 H 1 0.629 0.00 . 2 . . . . A 128 ILE HG13 . 31122 1 1632 . 1 . 1 128 128 ILE HG21 H 1 0.284 0.00 . 1 . . . . A 128 ILE HG21 . 31122 1 1633 . 1 . 1 128 128 ILE HG22 H 1 0.284 0.00 . 1 . . . . A 128 ILE HG22 . 31122 1 1634 . 1 . 1 128 128 ILE HG23 H 1 0.284 0.00 . 1 . . . . A 128 ILE HG23 . 31122 1 1635 . 1 . 1 128 128 ILE HD11 H 1 0.304 0.00 . 1 . . . . A 128 ILE HD11 . 31122 1 1636 . 1 . 1 128 128 ILE HD12 H 1 0.304 0.00 . 1 . . . . A 128 ILE HD12 . 31122 1 1637 . 1 . 1 128 128 ILE HD13 H 1 0.304 0.00 . 1 . . . . A 128 ILE HD13 . 31122 1 1638 . 1 . 1 128 128 ILE C C 13 176.460 0.02 . 1 . . . . A 128 ILE C . 31122 1 1639 . 1 . 1 128 128 ILE CA C 13 61.045 0.00 . 1 . . . . A 128 ILE CA . 31122 1 1640 . 1 . 1 128 128 ILE CB C 13 38.394 0.00 . 1 . . . . A 128 ILE CB . 31122 1 1641 . 1 . 1 128 128 ILE CG1 C 13 27.075 0.03 . 1 . . . . A 128 ILE CG1 . 31122 1 1642 . 1 . 1 128 128 ILE CG2 C 13 17.035 0.00 . 1 . . . . A 128 ILE CG2 . 31122 1 1643 . 1 . 1 128 128 ILE CD1 C 13 13.663 0.00 . 1 . . . . A 128 ILE CD1 . 31122 1 1644 . 1 . 1 128 128 ILE N N 15 119.999 0.02 . 1 . . . . A 128 ILE N . 31122 1 1645 . 1 . 1 129 129 LYS H H 1 8.193 0.00 . 1 . . . . A 129 LYS H . 31122 1 1646 . 1 . 1 129 129 LYS HA H 1 4.011 0.00 . 1 . . . . A 129 LYS HA . 31122 1 1647 . 1 . 1 129 129 LYS HB2 H 1 1.667 0.00 . 2 . . . . A 129 LYS HB2 . 31122 1 1648 . 1 . 1 129 129 LYS HB3 H 1 1.667 0.00 . 2 . . . . A 129 LYS HB3 . 31122 1 1649 . 1 . 1 129 129 LYS HG2 H 1 1.312 0.00 . 2 . . . . A 129 LYS HG2 . 31122 1 1650 . 1 . 1 129 129 LYS HG3 H 1 1.282 0.00 . 2 . . . . A 129 LYS HG3 . 31122 1 1651 . 1 . 1 129 129 LYS HD2 H 1 1.561 0.00 . 2 . . . . A 129 LYS HD2 . 31122 1 1652 . 1 . 1 129 129 LYS HD3 H 1 1.561 0.00 . 2 . . . . A 129 LYS HD3 . 31122 1 1653 . 1 . 1 129 129 LYS HE2 H 1 2.888 0.00 . 2 . . . . A 129 LYS HE2 . 31122 1 1654 . 1 . 1 129 129 LYS HE3 H 1 2.888 0.00 . 2 . . . . A 129 LYS HE3 . 31122 1 1655 . 1 . 1 129 129 LYS C C 13 176.598 0.01 . 1 . . . . A 129 LYS C . 31122 1 1656 . 1 . 1 129 129 LYS CA C 13 57.856 0.00 . 1 . . . . A 129 LYS CA . 31122 1 1657 . 1 . 1 129 129 LYS CB C 13 32.178 0.00 . 1 . . . . A 129 LYS CB . 31122 1 1658 . 1 . 1 129 129 LYS CG C 13 24.658 0.00 . 1 . . . . A 129 LYS CG . 31122 1 1659 . 1 . 1 129 129 LYS CD C 13 28.936 0.00 . 1 . . . . A 129 LYS CD . 31122 1 1660 . 1 . 1 129 129 LYS CE C 13 42.034 0.00 . 1 . . . . A 129 LYS CE . 31122 1 1661 . 1 . 1 129 129 LYS N N 15 122.835 0.01 . 1 . . . . A 129 LYS N . 31122 1 1662 . 1 . 1 130 130 ASP H H 1 7.762 0.00 . 1 . . . . A 130 ASP H . 31122 1 1663 . 1 . 1 130 130 ASP HA H 1 4.642 0.00 . 1 . . . . A 130 ASP HA . 31122 1 1664 . 1 . 1 130 130 ASP HB2 H 1 2.737 0.00 . 2 . . . . A 130 ASP HB2 . 31122 1 1665 . 1 . 1 130 130 ASP HB3 H 1 2.430 0.00 . 2 . . . . A 130 ASP HB3 . 31122 1 1666 . 1 . 1 130 130 ASP C C 13 175.526 0.00 . 1 . . . . A 130 ASP C . 31122 1 1667 . 1 . 1 130 130 ASP CA C 13 53.808 0.00 . 1 . . . . A 130 ASP CA . 31122 1 1668 . 1 . 1 130 130 ASP CB C 13 41.514 0.00 . 1 . . . . A 130 ASP CB . 31122 1 1669 . 1 . 1 130 130 ASP N N 15 117.819 0.01 . 1 . . . . A 130 ASP N . 31122 1 1670 . 1 . 1 131 131 THR H H 1 7.405 0.00 . 1 . . . . A 131 THR H . 31122 1 1671 . 1 . 1 131 131 THR HA H 1 4.092 0.00 . 1 . . . . A 131 THR HA . 31122 1 1672 . 1 . 1 131 131 THR HB H 1 3.882 0.00 . 1 . . . . A 131 THR HB . 31122 1 1673 . 1 . 1 131 131 THR HG21 H 1 1.055 0.00 . 1 . . . . A 131 THR HG21 . 31122 1 1674 . 1 . 1 131 131 THR HG22 H 1 1.055 0.00 . 1 . . . . A 131 THR HG22 . 31122 1 1675 . 1 . 1 131 131 THR HG23 H 1 1.055 0.00 . 1 . . . . A 131 THR HG23 . 31122 1 1676 . 1 . 1 131 131 THR C C 13 173.590 0.00 . 1 . . . . A 131 THR C . 31122 1 1677 . 1 . 1 131 131 THR CA C 13 62.100 0.00 . 1 . . . . A 131 THR CA . 31122 1 1678 . 1 . 1 131 131 THR CB C 13 69.977 0.00 . 1 . . . . A 131 THR CB . 31122 1 1679 . 1 . 1 131 131 THR CG2 C 13 21.863 0.00 . 1 . . . . A 131 THR CG2 . 31122 1 1680 . 1 . 1 131 131 THR N N 15 114.030 0.04 . 1 . . . . A 131 THR N . 31122 1 1681 . 1 . 1 132 132 LYS H H 1 8.018 0.00 . 1 . . . . A 132 LYS H . 31122 1 1682 . 1 . 1 132 132 LYS HA H 1 4.173 0.00 . 1 . . . . A 132 LYS HA . 31122 1 1683 . 1 . 1 132 132 LYS HB2 H 1 1.763 0.00 . 2 . . . . A 132 LYS HB2 . 31122 1 1684 . 1 . 1 132 132 LYS HB3 H 1 1.617 0.00 . 2 . . . . A 132 LYS HB3 . 31122 1 1685 . 1 . 1 132 132 LYS HG2 H 1 1.371 0.00 . 2 . . . . A 132 LYS HG2 . 31122 1 1686 . 1 . 1 132 132 LYS HG3 H 1 1.302 0.00 . 2 . . . . A 132 LYS HG3 . 31122 1 1687 . 1 . 1 132 132 LYS HD2 H 1 1.571 0.00 . 2 . . . . A 132 LYS HD2 . 31122 1 1688 . 1 . 1 132 132 LYS HD3 H 1 1.571 0.00 . 2 . . . . A 132 LYS HD3 . 31122 1 1689 . 1 . 1 132 132 LYS HE2 H 1 2.878 0.00 . 2 . . . . A 132 LYS HE2 . 31122 1 1690 . 1 . 1 132 132 LYS HE3 H 1 2.878 0.00 . 2 . . . . A 132 LYS HE3 . 31122 1 1691 . 1 . 1 132 132 LYS C C 13 176.676 0.01 . 1 . . . . A 132 LYS C . 31122 1 1692 . 1 . 1 132 132 LYS CA C 13 55.526 0.00 . 1 . . . . A 132 LYS CA . 31122 1 1693 . 1 . 1 132 132 LYS CB C 13 32.940 0.01 . 1 . . . . A 132 LYS CB . 31122 1 1694 . 1 . 1 132 132 LYS CG C 13 24.843 0.01 . 1 . . . . A 132 LYS CG . 31122 1 1695 . 1 . 1 132 132 LYS CD C 13 28.873 0.00 . 1 . . . . A 132 LYS CD . 31122 1 1696 . 1 . 1 132 132 LYS CE C 13 41.852 0.00 . 1 . . . . A 132 LYS CE . 31122 1 1697 . 1 . 1 132 132 LYS N N 15 123.571 0.00 . 1 . . . . A 132 LYS N . 31122 1 1698 . 1 . 1 133 133 SER H H 1 8.132 0.00 . 1 . . . . A 133 SER H . 31122 1 1699 . 1 . 1 133 133 SER C C 13 176.669 0.00 . 1 . . . . A 133 SER C . 31122 1 1700 . 1 . 1 133 133 SER N N 15 115.197 0.01 . 1 . . . . A 133 SER N . 31122 1 1701 . 1 . 1 134 134 ASP HA H 1 4.188 0.00 . 1 . . . . A 134 ASP HA . 31122 1 1702 . 1 . 1 134 134 ASP HB2 H 1 2.631 0.00 . 2 . . . . A 134 ASP HB2 . 31122 1 1703 . 1 . 1 134 134 ASP HB3 H 1 2.494 0.00 . 2 . . . . A 134 ASP HB3 . 31122 1 1704 . 1 . 1 134 134 ASP C C 13 174.849 0.01 . 1 . . . . A 134 ASP C . 31122 1 1705 . 1 . 1 134 134 ASP CA C 13 56.117 0.00 . 1 . . . . A 134 ASP CA . 31122 1 1706 . 1 . 1 134 134 ASP CB C 13 39.861 0.02 . 1 . . . . A 134 ASP CB . 31122 1 1707 . 1 . 1 135 135 ILE H H 1 6.952 0.00 . 1 . . . . A 135 ILE H . 31122 1 1708 . 1 . 1 135 135 ILE HA H 1 5.098 0.00 . 1 . . . . A 135 ILE HA . 31122 1 1709 . 1 . 1 135 135 ILE HB H 1 2.186 0.00 . 1 . . . . A 135 ILE HB . 31122 1 1710 . 1 . 1 135 135 ILE HG12 H 1 1.022 0.00 . 2 . . . . A 135 ILE HG12 . 31122 1 1711 . 1 . 1 135 135 ILE HG13 H 1 1.053 0.00 . 2 . . . . A 135 ILE HG13 . 31122 1 1712 . 1 . 1 135 135 ILE HG21 H 1 0.786 0.00 . 1 . . . . A 135 ILE HG21 . 31122 1 1713 . 1 . 1 135 135 ILE HG22 H 1 0.786 0.00 . 1 . . . . A 135 ILE HG22 . 31122 1 1714 . 1 . 1 135 135 ILE HG23 H 1 0.786 0.00 . 1 . . . . A 135 ILE HG23 . 31122 1 1715 . 1 . 1 135 135 ILE HD11 H 1 0.755 0.00 . 1 . . . . A 135 ILE HD11 . 31122 1 1716 . 1 . 1 135 135 ILE HD12 H 1 0.755 0.00 . 1 . . . . A 135 ILE HD12 . 31122 1 1717 . 1 . 1 135 135 ILE HD13 H 1 0.755 0.00 . 1 . . . . A 135 ILE HD13 . 31122 1 1718 . 1 . 1 135 135 ILE C C 13 175.305 0.01 . 1 . . . . A 135 ILE C . 31122 1 1719 . 1 . 1 135 135 ILE CA C 13 60.026 0.00 . 1 . . . . A 135 ILE CA . 31122 1 1720 . 1 . 1 135 135 ILE CB C 13 38.813 0.00 . 1 . . . . A 135 ILE CB . 31122 1 1721 . 1 . 1 135 135 ILE CG1 C 13 25.917 0.01 . 1 . . . . A 135 ILE CG1 . 31122 1 1722 . 1 . 1 135 135 ILE CG2 C 13 16.600 0.00 . 1 . . . . A 135 ILE CG2 . 31122 1 1723 . 1 . 1 135 135 ILE CD1 C 13 14.911 0.00 . 1 . . . . A 135 ILE CD1 . 31122 1 1724 . 1 . 1 135 135 ILE N N 15 108.724 0.01 . 1 . . . . A 135 ILE N . 31122 1 1725 . 1 . 1 136 136 ILE H H 1 7.085 0.00 . 1 . . . . A 136 ILE H . 31122 1 1726 . 1 . 1 136 136 ILE HA H 1 4.587 0.00 . 1 . . . . A 136 ILE HA . 31122 1 1727 . 1 . 1 136 136 ILE HB H 1 1.446 0.00 . 1 . . . . A 136 ILE HB . 31122 1 1728 . 1 . 1 136 136 ILE HG12 H 1 1.217 0.00 . 2 . . . . A 136 ILE HG12 . 31122 1 1729 . 1 . 1 136 136 ILE HG13 H 1 0.784 0.00 . 2 . . . . A 136 ILE HG13 . 31122 1 1730 . 1 . 1 136 136 ILE HG21 H 1 0.387 0.00 . 1 . . . . A 136 ILE HG21 . 31122 1 1731 . 1 . 1 136 136 ILE HG22 H 1 0.387 0.00 . 1 . . . . A 136 ILE HG22 . 31122 1 1732 . 1 . 1 136 136 ILE HG23 H 1 0.387 0.00 . 1 . . . . A 136 ILE HG23 . 31122 1 1733 . 1 . 1 136 136 ILE HD11 H 1 0.409 0.00 . 1 . . . . A 136 ILE HD11 . 31122 1 1734 . 1 . 1 136 136 ILE HD12 H 1 0.409 0.00 . 1 . . . . A 136 ILE HD12 . 31122 1 1735 . 1 . 1 136 136 ILE HD13 H 1 0.409 0.00 . 1 . . . . A 136 ILE HD13 . 31122 1 1736 . 1 . 1 136 136 ILE C C 13 175.441 0.00 . 1 . . . . A 136 ILE C . 31122 1 1737 . 1 . 1 136 136 ILE CA C 13 59.773 0.00 . 1 . . . . A 136 ILE CA . 31122 1 1738 . 1 . 1 136 136 ILE CB C 13 37.742 0.00 . 1 . . . . A 136 ILE CB . 31122 1 1739 . 1 . 1 136 136 ILE CG1 C 13 26.996 0.01 . 1 . . . . A 136 ILE CG1 . 31122 1 1740 . 1 . 1 136 136 ILE CG2 C 13 17.665 0.00 . 1 . . . . A 136 ILE CG2 . 31122 1 1741 . 1 . 1 136 136 ILE CD1 C 13 12.374 0.00 . 1 . . . . A 136 ILE CD1 . 31122 1 1742 . 1 . 1 136 136 ILE N N 15 121.661 0.00 . 1 . . . . A 136 ILE N . 31122 1 1743 . 1 . 1 137 137 PHE H H 1 9.288 0.00 . 1 . . . . A 137 PHE H . 31122 1 1744 . 1 . 1 137 137 PHE HA H 1 4.768 0.00 . 1 . . . . A 137 PHE HA . 31122 1 1745 . 1 . 1 137 137 PHE HB2 H 1 2.778 0.00 . 2 . . . . A 137 PHE HB2 . 31122 1 1746 . 1 . 1 137 137 PHE HB3 H 1 2.622 0.00 . 2 . . . . A 137 PHE HB3 . 31122 1 1747 . 1 . 1 137 137 PHE HD1 H 1 6.884 0.00 . 3 . . . . A 137 PHE HD1 . 31122 1 1748 . 1 . 1 137 137 PHE HD2 H 1 6.883 0.00 . 3 . . . . A 137 PHE HD2 . 31122 1 1749 . 1 . 1 137 137 PHE HE1 H 1 6.973 0.00 . 3 . . . . A 137 PHE HE1 . 31122 1 1750 . 1 . 1 137 137 PHE HE2 H 1 6.973 0.00 . 3 . . . . A 137 PHE HE2 . 31122 1 1751 . 1 . 1 137 137 PHE HZ H 1 6.752 0.00 . 1 . . . . A 137 PHE HZ . 31122 1 1752 . 1 . 1 137 137 PHE C C 13 173.236 0.00 . 1 . . . . A 137 PHE C . 31122 1 1753 . 1 . 1 137 137 PHE CA C 13 55.842 0.00 . 1 . . . . A 137 PHE CA . 31122 1 1754 . 1 . 1 137 137 PHE CB C 13 43.086 0.01 . 1 . . . . A 137 PHE CB . 31122 1 1755 . 1 . 1 137 137 PHE CD1 C 13 131.477 0.00 . 3 . . . . A 137 PHE CD1 . 31122 1 1756 . 1 . 1 137 137 PHE CD2 C 13 131.468 0.00 . 3 . . . . A 137 PHE CD2 . 31122 1 1757 . 1 . 1 137 137 PHE CE1 C 13 130.695 0.00 . 3 . . . . A 137 PHE CE1 . 31122 1 1758 . 1 . 1 137 137 PHE CE2 C 13 130.661 0.00 . 3 . . . . A 137 PHE CE2 . 31122 1 1759 . 1 . 1 137 137 PHE CZ C 13 128.690 0.00 . 1 . . . . A 137 PHE CZ . 31122 1 1760 . 1 . 1 137 137 PHE N N 15 128.552 0.00 . 1 . . . . A 137 PHE N . 31122 1 1761 . 1 . 1 138 138 PHE H H 1 9.906 0.00 . 1 . . . . A 138 PHE H . 31122 1 1762 . 1 . 1 138 138 PHE HA H 1 5.544 0.00 . 1 . . . . A 138 PHE HA . 31122 1 1763 . 1 . 1 138 138 PHE HB2 H 1 2.956 0.00 . 2 . . . . A 138 PHE HB2 . 31122 1 1764 . 1 . 1 138 138 PHE HB3 H 1 2.557 0.00 . 2 . . . . A 138 PHE HB3 . 31122 1 1765 . 1 . 1 138 138 PHE HD1 H 1 6.784 0.00 . 3 . . . . A 138 PHE HD1 . 31122 1 1766 . 1 . 1 138 138 PHE HD2 H 1 6.784 0.00 . 3 . . . . A 138 PHE HD2 . 31122 1 1767 . 1 . 1 138 138 PHE HE1 H 1 7.066 0.00 . 3 . . . . A 138 PHE HE1 . 31122 1 1768 . 1 . 1 138 138 PHE HE2 H 1 7.066 0.00 . 3 . . . . A 138 PHE HE2 . 31122 1 1769 . 1 . 1 138 138 PHE HZ H 1 7.112 0.00 . 1 . . . . A 138 PHE HZ . 31122 1 1770 . 1 . 1 138 138 PHE C C 13 176.395 0.00 . 1 . . . . A 138 PHE C . 31122 1 1771 . 1 . 1 138 138 PHE CA C 13 56.146 0.00 . 1 . . . . A 138 PHE CA . 31122 1 1772 . 1 . 1 138 138 PHE CB C 13 41.020 0.01 . 1 . . . . A 138 PHE CB . 31122 1 1773 . 1 . 1 138 138 PHE CD1 C 13 130.761 0.00 . 3 . . . . A 138 PHE CD1 . 31122 1 1774 . 1 . 1 138 138 PHE CD2 C 13 130.761 0.00 . 3 . . . . A 138 PHE CD2 . 31122 1 1775 . 1 . 1 138 138 PHE CE1 C 13 130.763 0.00 . 3 . . . . A 138 PHE CE1 . 31122 1 1776 . 1 . 1 138 138 PHE CE2 C 13 130.763 0.00 . 3 . . . . A 138 PHE CE2 . 31122 1 1777 . 1 . 1 138 138 PHE CZ C 13 129.274 0.00 . 1 . . . . A 138 PHE CZ . 31122 1 1778 . 1 . 1 138 138 PHE N N 15 117.924 0.01 . 1 . . . . A 138 PHE N . 31122 1 1779 . 1 . 1 139 139 GLN H H 1 9.084 0.00 . 1 . . . . A 139 GLN H . 31122 1 1780 . 1 . 1 139 139 GLN HA H 1 4.749 0.00 . 1 . . . . A 139 GLN HA . 31122 1 1781 . 1 . 1 139 139 GLN HB2 H 1 2.132 0.00 . 2 . . . . A 139 GLN HB2 . 31122 1 1782 . 1 . 1 139 139 GLN HB3 H 1 2.066 0.00 . 2 . . . . A 139 GLN HB3 . 31122 1 1783 . 1 . 1 139 139 GLN HG2 H 1 2.274 0.00 . 2 . . . . A 139 GLN HG2 . 31122 1 1784 . 1 . 1 139 139 GLN HG3 H 1 2.149 0.00 . 2 . . . . A 139 GLN HG3 . 31122 1 1785 . 1 . 1 139 139 GLN HE21 H 1 6.637 0.00 . 1 . . . . A 139 GLN HE21 . 31122 1 1786 . 1 . 1 139 139 GLN HE22 H 1 6.496 0.00 . 1 . . . . A 139 GLN HE22 . 31122 1 1787 . 1 . 1 139 139 GLN C C 13 175.824 0.00 . 1 . . . . A 139 GLN C . 31122 1 1788 . 1 . 1 139 139 GLN CA C 13 55.649 0.00 . 1 . . . . A 139 GLN CA . 31122 1 1789 . 1 . 1 139 139 GLN CB C 13 30.606 0.00 . 1 . . . . A 139 GLN CB . 31122 1 1790 . 1 . 1 139 139 GLN CG C 13 34.663 0.00 . 1 . . . . A 139 GLN CG . 31122 1 1791 . 1 . 1 139 139 GLN CD C 13 177.701 0.02 . 1 . . . . A 139 GLN CD . 31122 1 1792 . 1 . 1 139 139 GLN N N 15 123.130 0.01 . 1 . . . . A 139 GLN N . 31122 1 1793 . 1 . 1 139 139 GLN NE2 N 15 107.586 0.01 . 1 . . . . A 139 GLN NE2 . 31122 1 1794 . 1 . 1 140 140 ARG H H 1 8.898 0.00 . 1 . . . . A 140 ARG H . 31122 1 1795 . 1 . 1 140 140 ARG HA H 1 4.857 0.00 . 1 . . . . A 140 ARG HA . 31122 1 1796 . 1 . 1 140 140 ARG HB2 H 1 2.121 0.00 . 2 . . . . A 140 ARG HB2 . 31122 1 1797 . 1 . 1 140 140 ARG HB3 H 1 1.777 0.00 . 2 . . . . A 140 ARG HB3 . 31122 1 1798 . 1 . 1 140 140 ARG HG2 H 1 1.830 0.00 . 2 . . . . A 140 ARG HG2 . 31122 1 1799 . 1 . 1 140 140 ARG HG3 H 1 1.811 0.00 . 2 . . . . A 140 ARG HG3 . 31122 1 1800 . 1 . 1 140 140 ARG HD2 H 1 3.404 0.00 . 2 . . . . A 140 ARG HD2 . 31122 1 1801 . 1 . 1 140 140 ARG HD3 H 1 3.213 0.00 . 2 . . . . A 140 ARG HD3 . 31122 1 1802 . 1 . 1 140 140 ARG C C 13 175.447 0.00 . 1 . . . . A 140 ARG C . 31122 1 1803 . 1 . 1 140 140 ARG CA C 13 53.624 0.00 . 1 . . . . A 140 ARG CA . 31122 1 1804 . 1 . 1 140 140 ARG CB C 13 33.903 0.01 . 1 . . . . A 140 ARG CB . 31122 1 1805 . 1 . 1 140 140 ARG CG C 13 26.977 0.00 . 1 . . . . A 140 ARG CG . 31122 1 1806 . 1 . 1 140 140 ARG CD C 13 43.285 0.00 . 1 . . . . A 140 ARG CD . 31122 1 1807 . 1 . 1 140 140 ARG N N 15 125.327 0.01 . 1 . . . . A 140 ARG N . 31122 1 1808 . 1 . 1 141 141 SER H H 1 8.551 0.00 . 1 . . . . A 141 SER H . 31122 1 1809 . 1 . 1 141 141 SER HA H 1 4.613 0.00 . 1 . . . . A 141 SER HA . 31122 1 1810 . 1 . 1 141 141 SER HB2 H 1 3.821 0.00 . 2 . . . . A 141 SER HB2 . 31122 1 1811 . 1 . 1 141 141 SER HB3 H 1 3.817 0.00 . 2 . . . . A 141 SER HB3 . 31122 1 1812 . 1 . 1 141 141 SER C C 13 173.780 0.01 . 1 . . . . A 141 SER C . 31122 1 1813 . 1 . 1 141 141 SER CA C 13 58.844 0.00 . 1 . . . . A 141 SER CA . 31122 1 1814 . 1 . 1 141 141 SER CB C 13 63.752 0.01 . 1 . . . . A 141 SER CB . 31122 1 1815 . 1 . 1 141 141 SER N N 15 117.467 0.01 . 1 . . . . A 141 SER N . 31122 1 1816 . 1 . 1 142 142 VAL H H 1 8.473 0.00 . 1 . . . . A 142 VAL H . 31122 1 1817 . 1 . 1 142 142 VAL HA H 1 4.046 0.00 . 1 . . . . A 142 VAL HA . 31122 1 1818 . 1 . 1 142 142 VAL HB H 1 1.990 0.00 . 1 . . . . A 142 VAL HB . 31122 1 1819 . 1 . 1 142 142 VAL HG11 H 1 0.681 0.00 . 1 . . . . A 142 VAL HG11 . 31122 1 1820 . 1 . 1 142 142 VAL HG12 H 1 0.681 0.00 . 1 . . . . A 142 VAL HG12 . 31122 1 1821 . 1 . 1 142 142 VAL HG13 H 1 0.681 0.00 . 1 . . . . A 142 VAL HG13 . 31122 1 1822 . 1 . 1 142 142 VAL HG21 H 1 0.679 0.00 . 1 . . . . A 142 VAL HG21 . 31122 1 1823 . 1 . 1 142 142 VAL HG22 H 1 0.679 0.00 . 1 . . . . A 142 VAL HG22 . 31122 1 1824 . 1 . 1 142 142 VAL HG23 H 1 0.679 0.00 . 1 . . . . A 142 VAL HG23 . 31122 1 1825 . 1 . 1 142 142 VAL C C 13 174.635 0.00 . 1 . . . . A 142 VAL C . 31122 1 1826 . 1 . 1 142 142 VAL CA C 13 59.688 0.00 . 1 . . . . A 142 VAL CA . 31122 1 1827 . 1 . 1 142 142 VAL CB C 13 33.186 0.00 . 1 . . . . A 142 VAL CB . 31122 1 1828 . 1 . 1 142 142 VAL CG1 C 13 21.215 0.00 . 1 . . . . A 142 VAL CG1 . 31122 1 1829 . 1 . 1 142 142 VAL CG2 C 13 22.308 0.00 . 1 . . . . A 142 VAL CG2 . 31122 1 1830 . 1 . 1 142 142 VAL N N 15 124.922 0.01 . 1 . . . . A 142 VAL N . 31122 1 1831 . 1 . 1 143 143 PRO HA H 1 4.164 0.00 . 1 . . . . A 143 PRO HA . 31122 1 1832 . 1 . 1 143 143 PRO HB2 H 1 2.177 0.00 . 2 . . . . A 143 PRO HB2 . 31122 1 1833 . 1 . 1 143 143 PRO HB3 H 1 1.802 0.00 . 2 . . . . A 143 PRO HB3 . 31122 1 1834 . 1 . 1 143 143 PRO HG2 H 1 2.034 0.00 . 2 . . . . A 143 PRO HG2 . 31122 1 1835 . 1 . 1 143 143 PRO HG3 H 1 1.851 0.00 . 2 . . . . A 143 PRO HG3 . 31122 1 1836 . 1 . 1 143 143 PRO HD2 H 1 3.909 0.00 . 2 . . . . A 143 PRO HD2 . 31122 1 1837 . 1 . 1 143 143 PRO HD3 H 1 3.477 0.00 . 2 . . . . A 143 PRO HD3 . 31122 1 1838 . 1 . 1 143 143 PRO C C 13 177.840 0.01 . 1 . . . . A 143 PRO C . 31122 1 1839 . 1 . 1 143 143 PRO CA C 13 64.291 0.00 . 1 . . . . A 143 PRO CA . 31122 1 1840 . 1 . 1 143 143 PRO CB C 13 31.444 0.00 . 1 . . . . A 143 PRO CB . 31122 1 1841 . 1 . 1 143 143 PRO CG C 13 27.675 0.00 . 1 . . . . A 143 PRO CG . 31122 1 1842 . 1 . 1 143 143 PRO CD C 13 51.154 0.01 . 1 . . . . A 143 PRO CD . 31122 1 1843 . 1 . 1 144 144 GLY H H 1 8.665 0.00 . 1 . . . . A 144 GLY H . 31122 1 1844 . 1 . 1 144 144 GLY HA2 H 1 3.995 0.00 . 2 . . . . A 144 GLY HA2 . 31122 1 1845 . 1 . 1 144 144 GLY HA3 H 1 3.502 0.00 . 2 . . . . A 144 GLY HA3 . 31122 1 1846 . 1 . 1 144 144 GLY C C 13 173.885 0.00 . 1 . . . . A 144 GLY C . 31122 1 1847 . 1 . 1 144 144 GLY CA C 13 45.444 0.00 . 1 . . . . A 144 GLY CA . 31122 1 1848 . 1 . 1 144 144 GLY N N 15 113.235 0.02 . 1 . . . . A 144 GLY N . 31122 1 1849 . 1 . 1 145 145 HIS H H 1 8.033 0.00 . 1 . . . . A 145 HIS H . 31122 1 1850 . 1 . 1 145 145 HIS HA H 1 4.626 0.00 . 1 . . . . A 145 HIS HA . 31122 1 1851 . 1 . 1 145 145 HIS HB2 H 1 2.643 0.00 . 2 . . . . A 145 HIS HB2 . 31122 1 1852 . 1 . 1 145 145 HIS HB3 H 1 2.622 0.00 . 2 . . . . A 145 HIS HB3 . 31122 1 1853 . 1 . 1 145 145 HIS HD2 H 1 7.004 0.00 . 1 . . . . A 145 HIS HD2 . 31122 1 1854 . 1 . 1 145 145 HIS HE1 H 1 7.859 0.00 . 1 . . . . A 145 HIS HE1 . 31122 1 1855 . 1 . 1 145 145 HIS C C 13 174.376 0.01 . 1 . . . . A 145 HIS C . 31122 1 1856 . 1 . 1 145 145 HIS CA C 13 54.068 0.00 . 1 . . . . A 145 HIS CA . 31122 1 1857 . 1 . 1 145 145 HIS CB C 13 31.070 0.00 . 1 . . . . A 145 HIS CB . 31122 1 1858 . 1 . 1 145 145 HIS CD2 C 13 119.143 0.00 . 1 . . . . A 145 HIS CD2 . 31122 1 1859 . 1 . 1 145 145 HIS CE1 C 13 137.249 0.00 . 1 . . . . A 145 HIS CE1 . 31122 1 1860 . 1 . 1 145 145 HIS N N 15 120.203 0.00 . 1 . . . . A 145 HIS N . 31122 1 1861 . 1 . 1 146 146 ASP H H 1 8.553 0.00 . 1 . . . . A 146 ASP H . 31122 1 1862 . 1 . 1 146 146 ASP HA H 1 4.341 0.00 . 1 . . . . A 146 ASP HA . 31122 1 1863 . 1 . 1 146 146 ASP HB2 H 1 2.576 0.00 . 2 . . . . A 146 ASP HB2 . 31122 1 1864 . 1 . 1 146 146 ASP HB3 H 1 2.500 0.00 . 2 . . . . A 146 ASP HB3 . 31122 1 1865 . 1 . 1 146 146 ASP C C 13 175.959 0.01 . 1 . . . . A 146 ASP C . 31122 1 1866 . 1 . 1 146 146 ASP CA C 13 56.696 0.00 . 1 . . . . A 146 ASP CA . 31122 1 1867 . 1 . 1 146 146 ASP CB C 13 40.617 0.01 . 1 . . . . A 146 ASP CB . 31122 1 1868 . 1 . 1 146 146 ASP N N 15 122.181 0.01 . 1 . . . . A 146 ASP N . 31122 1 1869 . 1 . 1 147 147 ASN H H 1 8.056 0.00 . 1 . . . . A 147 ASN H . 31122 1 1870 . 1 . 1 147 147 ASN HA H 1 4.680 0.00 . 1 . . . . A 147 ASN HA . 31122 1 1871 . 1 . 1 147 147 ASN HB2 H 1 3.154 0.00 . 2 . . . . A 147 ASN HB2 . 31122 1 1872 . 1 . 1 147 147 ASN HB3 H 1 2.752 0.00 . 2 . . . . A 147 ASN HB3 . 31122 1 1873 . 1 . 1 147 147 ASN HD21 H 1 7.603 0.00 . 1 . . . . A 147 ASN HD21 . 31122 1 1874 . 1 . 1 147 147 ASN HD22 H 1 6.891 0.00 . 1 . . . . A 147 ASN HD22 . 31122 1 1875 . 1 . 1 147 147 ASN C C 13 174.180 0.00 . 1 . . . . A 147 ASN C . 31122 1 1876 . 1 . 1 147 147 ASN CA C 13 52.691 0.00 . 1 . . . . A 147 ASN CA . 31122 1 1877 . 1 . 1 147 147 ASN CB C 13 37.793 0.04 . 1 . . . . A 147 ASN CB . 31122 1 1878 . 1 . 1 147 147 ASN CG C 13 178.150 0.01 . 1 . . . . A 147 ASN CG . 31122 1 1879 . 1 . 1 147 147 ASN N N 15 114.508 0.01 . 1 . . . . A 147 ASN N . 31122 1 1880 . 1 . 1 147 147 ASN ND2 N 15 111.745 0.00 . 1 . . . . A 147 ASN ND2 . 31122 1 1881 . 1 . 1 148 148 LYS H H 1 7.560 0.00 . 1 . . . . A 148 LYS H . 31122 1 1882 . 1 . 1 148 148 LYS HA H 1 5.109 0.00 . 1 . . . . A 148 LYS HA . 31122 1 1883 . 1 . 1 148 148 LYS HB2 H 1 1.525 0.00 . 2 . . . . A 148 LYS HB2 . 31122 1 1884 . 1 . 1 148 148 LYS HB3 H 1 1.497 0.00 . 2 . . . . A 148 LYS HB3 . 31122 1 1885 . 1 . 1 148 148 LYS HG2 H 1 1.290 0.00 . 2 . . . . A 148 LYS HG2 . 31122 1 1886 . 1 . 1 148 148 LYS HG3 H 1 1.076 0.00 . 2 . . . . A 148 LYS HG3 . 31122 1 1887 . 1 . 1 148 148 LYS HD2 H 1 1.465 0.00 . 2 . . . . A 148 LYS HD2 . 31122 1 1888 . 1 . 1 148 148 LYS HD3 H 1 1.080 0.00 . 2 . . . . A 148 LYS HD3 . 31122 1 1889 . 1 . 1 148 148 LYS HE2 H 1 2.718 0.00 . 2 . . . . A 148 LYS HE2 . 31122 1 1890 . 1 . 1 148 148 LYS HE3 H 1 2.585 0.00 . 2 . . . . A 148 LYS HE3 . 31122 1 1891 . 1 . 1 148 148 LYS C C 13 174.761 0.01 . 1 . . . . A 148 LYS C . 31122 1 1892 . 1 . 1 148 148 LYS CA C 13 54.797 0.00 . 1 . . . . A 148 LYS CA . 31122 1 1893 . 1 . 1 148 148 LYS CB C 13 36.097 0.00 . 1 . . . . A 148 LYS CB . 31122 1 1894 . 1 . 1 148 148 LYS CG C 13 25.800 0.03 . 1 . . . . A 148 LYS CG . 31122 1 1895 . 1 . 1 148 148 LYS CD C 13 28.378 0.12 . 1 . . . . A 148 LYS CD . 31122 1 1896 . 1 . 1 148 148 LYS CE C 13 42.502 0.02 . 1 . . . . A 148 LYS CE . 31122 1 1897 . 1 . 1 148 148 LYS N N 15 117.155 0.01 . 1 . . . . A 148 LYS N . 31122 1 1898 . 1 . 1 149 149 MET H H 1 8.713 0.00 . 1 . . . . A 149 MET H . 31122 1 1899 . 1 . 1 149 149 MET HA H 1 5.002 0.00 . 1 . . . . A 149 MET HA . 31122 1 1900 . 1 . 1 149 149 MET HB2 H 1 1.729 0.00 . 2 . . . . A 149 MET HB2 . 31122 1 1901 . 1 . 1 149 149 MET HB3 H 1 1.578 0.00 . 2 . . . . A 149 MET HB3 . 31122 1 1902 . 1 . 1 149 149 MET HG2 H 1 2.288 0.00 . 2 . . . . A 149 MET HG2 . 31122 1 1903 . 1 . 1 149 149 MET HG3 H 1 2.135 0.00 . 2 . . . . A 149 MET HG3 . 31122 1 1904 . 1 . 1 149 149 MET HE1 H 1 1.877 0.00 . 1 . . . . A 149 MET HE1 . 31122 1 1905 . 1 . 1 149 149 MET HE2 H 1 1.877 0.00 . 1 . . . . A 149 MET HE2 . 31122 1 1906 . 1 . 1 149 149 MET HE3 H 1 1.877 0.00 . 1 . . . . A 149 MET HE3 . 31122 1 1907 . 1 . 1 149 149 MET C C 13 172.915 0.00 . 1 . . . . A 149 MET C . 31122 1 1908 . 1 . 1 149 149 MET CA C 13 53.861 0.00 . 1 . . . . A 149 MET CA . 31122 1 1909 . 1 . 1 149 149 MET CB C 13 35.706 0.01 . 1 . . . . A 149 MET CB . 31122 1 1910 . 1 . 1 149 149 MET CG C 13 31.443 0.01 . 1 . . . . A 149 MET CG . 31122 1 1911 . 1 . 1 149 149 MET CE C 13 17.419 0.00 . 1 . . . . A 149 MET CE . 31122 1 1912 . 1 . 1 149 149 MET N N 15 118.674 0.01 . 1 . . . . A 149 MET N . 31122 1 1913 . 1 . 1 150 150 GLN H H 1 8.552 0.00 . 1 . . . . A 150 GLN H . 31122 1 1914 . 1 . 1 150 150 GLN HA H 1 4.832 0.00 . 1 . . . . A 150 GLN HA . 31122 1 1915 . 1 . 1 150 150 GLN HB2 H 1 2.712 0.00 . 2 . . . . A 150 GLN HB2 . 31122 1 1916 . 1 . 1 150 150 GLN HB3 H 1 1.767 0.00 . 2 . . . . A 150 GLN HB3 . 31122 1 1917 . 1 . 1 150 150 GLN HG2 H 1 2.173 0.00 . 2 . . . . A 150 GLN HG2 . 31122 1 1918 . 1 . 1 150 150 GLN HG3 H 1 2.014 0.00 . 2 . . . . A 150 GLN HG3 . 31122 1 1919 . 1 . 1 150 150 GLN HE21 H 1 7.223 0.00 . 1 . . . . A 150 GLN HE21 . 31122 1 1920 . 1 . 1 150 150 GLN HE22 H 1 6.642 0.00 . 1 . . . . A 150 GLN HE22 . 31122 1 1921 . 1 . 1 150 150 GLN C C 13 174.015 0.01 . 1 . . . . A 150 GLN C . 31122 1 1922 . 1 . 1 150 150 GLN CA C 13 52.587 0.00 . 1 . . . . A 150 GLN CA . 31122 1 1923 . 1 . 1 150 150 GLN CB C 13 31.264 0.06 . 1 . . . . A 150 GLN CB . 31122 1 1924 . 1 . 1 150 150 GLN CG C 13 32.688 0.01 . 1 . . . . A 150 GLN CG . 31122 1 1925 . 1 . 1 150 150 GLN CD C 13 179.640 0.01 . 1 . . . . A 150 GLN CD . 31122 1 1926 . 1 . 1 150 150 GLN N N 15 117.489 0.01 . 1 . . . . A 150 GLN N . 31122 1 1927 . 1 . 1 150 150 GLN NE2 N 15 110.894 0.01 . 1 . . . . A 150 GLN NE2 . 31122 1 1928 . 1 . 1 151 151 PHE H H 1 9.919 0.00 . 1 . . . . A 151 PHE H . 31122 1 1929 . 1 . 1 151 151 PHE HA H 1 5.461 0.00 . 1 . . . . A 151 PHE HA . 31122 1 1930 . 1 . 1 151 151 PHE HB2 H 1 2.925 0.00 . 2 . . . . A 151 PHE HB2 . 31122 1 1931 . 1 . 1 151 151 PHE HB3 H 1 2.637 0.00 . 2 . . . . A 151 PHE HB3 . 31122 1 1932 . 1 . 1 151 151 PHE HD1 H 1 7.119 0.00 . 3 . . . . A 151 PHE HD1 . 31122 1 1933 . 1 . 1 151 151 PHE HD2 H 1 7.119 0.00 . 3 . . . . A 151 PHE HD2 . 31122 1 1934 . 1 . 1 151 151 PHE HE1 H 1 6.983 0.00 . 3 . . . . A 151 PHE HE1 . 31122 1 1935 . 1 . 1 151 151 PHE HE2 H 1 6.983 0.00 . 3 . . . . A 151 PHE HE2 . 31122 1 1936 . 1 . 1 151 151 PHE HZ H 1 7.099 0.00 . 1 . . . . A 151 PHE HZ . 31122 1 1937 . 1 . 1 151 151 PHE C C 13 173.838 0.01 . 1 . . . . A 151 PHE C . 31122 1 1938 . 1 . 1 151 151 PHE CA C 13 57.742 0.00 . 1 . . . . A 151 PHE CA . 31122 1 1939 . 1 . 1 151 151 PHE CB C 13 42.492 0.01 . 1 . . . . A 151 PHE CB . 31122 1 1940 . 1 . 1 151 151 PHE CD1 C 13 131.746 0.00 . 3 . . . . A 151 PHE CD1 . 31122 1 1941 . 1 . 1 151 151 PHE CD2 C 13 131.729 0.00 . 3 . . . . A 151 PHE CD2 . 31122 1 1942 . 1 . 1 151 151 PHE CE1 C 13 131.327 0.00 . 3 . . . . A 151 PHE CE1 . 31122 1 1943 . 1 . 1 151 151 PHE CE2 C 13 131.327 0.00 . 3 . . . . A 151 PHE CE2 . 31122 1 1944 . 1 . 1 151 151 PHE CZ C 13 128.765 0.00 . 1 . . . . A 151 PHE CZ . 31122 1 1945 . 1 . 1 151 151 PHE N N 15 117.029 0.01 . 1 . . . . A 151 PHE N . 31122 1 1946 . 1 . 1 152 152 GLU H H 1 9.156 0.00 . 1 . . . . A 152 GLU H . 31122 1 1947 . 1 . 1 152 152 GLU HA H 1 4.415 0.00 . 1 . . . . A 152 GLU HA . 31122 1 1948 . 1 . 1 152 152 GLU HG2 H 1 2.370 0.00 . 2 . . . . A 152 GLU HG2 . 31122 1 1949 . 1 . 1 152 152 GLU HG3 H 1 2.381 0.00 . 2 . . . . A 152 GLU HG3 . 31122 1 1950 . 1 . 1 152 152 GLU C C 13 176.765 0.01 . 1 . . . . A 152 GLU C . 31122 1 1951 . 1 . 1 152 152 GLU CA C 13 53.569 0.00 . 1 . . . . A 152 GLU CA . 31122 1 1952 . 1 . 1 152 152 GLU CG C 13 35.461 0.01 . 1 . . . . A 152 GLU CG . 31122 1 1953 . 1 . 1 152 152 GLU N N 15 125.176 0.00 . 1 . . . . A 152 GLU N . 31122 1 1954 . 1 . 1 153 153 SER H H 1 8.866 0.00 . 1 . . . . A 153 SER H . 31122 1 1955 . 1 . 1 153 153 SER HA H 1 4.233 0.00 . 1 . . . . A 153 SER HA . 31122 1 1956 . 1 . 1 153 153 SER HB2 H 1 3.697 0.00 . 2 . . . . A 153 SER HB2 . 31122 1 1957 . 1 . 1 153 153 SER HB3 H 1 3.514 0.00 . 2 . . . . A 153 SER HB3 . 31122 1 1958 . 1 . 1 153 153 SER C C 13 174.458 0.02 . 1 . . . . A 153 SER C . 31122 1 1959 . 1 . 1 153 153 SER CA C 13 58.885 0.00 . 1 . . . . A 153 SER CA . 31122 1 1960 . 1 . 1 153 153 SER CB C 13 63.474 0.00 . 1 . . . . A 153 SER CB . 31122 1 1961 . 1 . 1 153 153 SER N N 15 120.506 0.01 . 1 . . . . A 153 SER N . 31122 1 1962 . 1 . 1 154 154 SER H H 1 7.442 0.00 . 1 . . . . A 154 SER H . 31122 1 1963 . 1 . 1 154 154 SER HA H 1 4.111 0.00 . 1 . . . . A 154 SER HA . 31122 1 1964 . 1 . 1 154 154 SER HB2 H 1 3.260 0.00 . 2 . . . . A 154 SER HB2 . 31122 1 1965 . 1 . 1 154 154 SER HB3 H 1 3.153 0.00 . 2 . . . . A 154 SER HB3 . 31122 1 1966 . 1 . 1 154 154 SER C C 13 176.303 0.01 . 1 . . . . A 154 SER C . 31122 1 1967 . 1 . 1 154 154 SER CA C 13 59.521 0.00 . 1 . . . . A 154 SER CA . 31122 1 1968 . 1 . 1 154 154 SER CB C 13 63.596 0.00 . 1 . . . . A 154 SER CB . 31122 1 1969 . 1 . 1 154 154 SER N N 15 119.982 0.01 . 1 . . . . A 154 SER N . 31122 1 1970 . 1 . 1 155 155 SER H H 1 7.651 0.00 . 1 . . . . A 155 SER H . 31122 1 1971 . 1 . 1 155 155 SER HA H 1 3.691 0.00 . 1 . . . . A 155 SER HA . 31122 1 1972 . 1 . 1 155 155 SER HB2 H 1 2.796 0.00 . 2 . . . . A 155 SER HB2 . 31122 1 1973 . 1 . 1 155 155 SER HB3 H 1 2.656 0.00 . 2 . . . . A 155 SER HB3 . 31122 1 1974 . 1 . 1 155 155 SER C C 13 173.664 0.00 . 1 . . . . A 155 SER C . 31122 1 1975 . 1 . 1 155 155 SER CA C 13 60.333 0.00 . 1 . . . . A 155 SER CA . 31122 1 1976 . 1 . 1 155 155 SER CB C 13 63.598 0.01 . 1 . . . . A 155 SER CB . 31122 1 1977 . 1 . 1 155 155 SER N N 15 115.894 0.02 . 1 . . . . A 155 SER N . 31122 1 1978 . 1 . 1 156 156 TYR H H 1 7.505 0.00 . 1 . . . . A 156 TYR H . 31122 1 1979 . 1 . 1 156 156 TYR HA H 1 4.578 0.00 . 1 . . . . A 156 TYR HA . 31122 1 1980 . 1 . 1 156 156 TYR HB2 H 1 2.332 0.00 . 2 . . . . A 156 TYR HB2 . 31122 1 1981 . 1 . 1 156 156 TYR HB3 H 1 2.366 0.00 . 2 . . . . A 156 TYR HB3 . 31122 1 1982 . 1 . 1 156 156 TYR HD1 H 1 6.776 0.00 . 3 . . . . A 156 TYR HD1 . 31122 1 1983 . 1 . 1 156 156 TYR HD2 H 1 6.776 0.00 . 3 . . . . A 156 TYR HD2 . 31122 1 1984 . 1 . 1 156 156 TYR HE1 H 1 6.713 0.00 . 3 . . . . A 156 TYR HE1 . 31122 1 1985 . 1 . 1 156 156 TYR HE2 H 1 6.713 0.00 . 3 . . . . A 156 TYR HE2 . 31122 1 1986 . 1 . 1 156 156 TYR C C 13 172.864 0.00 . 1 . . . . A 156 TYR C . 31122 1 1987 . 1 . 1 156 156 TYR CA C 13 55.174 0.00 . 1 . . . . A 156 TYR CA . 31122 1 1988 . 1 . 1 156 156 TYR CB C 13 37.350 0.00 . 1 . . . . A 156 TYR CB . 31122 1 1989 . 1 . 1 156 156 TYR CD1 C 13 133.720 0.00 . 3 . . . . A 156 TYR CD1 . 31122 1 1990 . 1 . 1 156 156 TYR CD2 C 13 133.720 0.00 . 3 . . . . A 156 TYR CD2 . 31122 1 1991 . 1 . 1 156 156 TYR CE1 C 13 117.993 0.00 . 3 . . . . A 156 TYR CE1 . 31122 1 1992 . 1 . 1 156 156 TYR CE2 C 13 117.993 0.00 . 3 . . . . A 156 TYR CE2 . 31122 1 1993 . 1 . 1 156 156 TYR N N 15 121.429 0.01 . 1 . . . . A 156 TYR N . 31122 1 1994 . 1 . 1 157 157 GLU H H 1 8.115 0.00 . 1 . . . . A 157 GLU H . 31122 1 1995 . 1 . 1 157 157 GLU HA H 1 4.131 0.00 . 1 . . . . A 157 GLU HA . 31122 1 1996 . 1 . 1 157 157 GLU HB2 H 1 1.931 0.00 . 2 . . . . A 157 GLU HB2 . 31122 1 1997 . 1 . 1 157 157 GLU HB3 H 1 1.931 0.00 . 2 . . . . A 157 GLU HB3 . 31122 1 1998 . 1 . 1 157 157 GLU HG2 H 1 2.293 0.00 . 2 . . . . A 157 GLU HG2 . 31122 1 1999 . 1 . 1 157 157 GLU HG3 H 1 2.215 0.00 . 2 . . . . A 157 GLU HG3 . 31122 1 2000 . 1 . 1 157 157 GLU C C 13 178.678 0.00 . 1 . . . . A 157 GLU C . 31122 1 2001 . 1 . 1 157 157 GLU CA C 13 58.336 0.00 . 1 . . . . A 157 GLU CA . 31122 1 2002 . 1 . 1 157 157 GLU CB C 13 29.525 0.00 . 1 . . . . A 157 GLU CB . 31122 1 2003 . 1 . 1 157 157 GLU CG C 13 36.073 0.00 . 1 . . . . A 157 GLU CG . 31122 1 2004 . 1 . 1 157 157 GLU N N 15 122.455 0.01 . 1 . . . . A 157 GLU N . 31122 1 2005 . 1 . 1 158 158 GLY H H 1 10.297 0.00 . 1 . . . . A 158 GLY H . 31122 1 2006 . 1 . 1 158 158 GLY HA2 H 1 4.268 0.00 . 2 . . . . A 158 GLY HA2 . 31122 1 2007 . 1 . 1 158 158 GLY HA3 H 1 3.705 0.00 . 2 . . . . A 158 GLY HA3 . 31122 1 2008 . 1 . 1 158 158 GLY C C 13 173.194 0.00 . 1 . . . . A 158 GLY C . 31122 1 2009 . 1 . 1 158 158 GLY CA C 13 45.328 0.01 . 1 . . . . A 158 GLY CA . 31122 1 2010 . 1 . 1 158 158 GLY N N 15 113.933 0.01 . 1 . . . . A 158 GLY N . 31122 1 2011 . 1 . 1 159 159 TYR H H 1 8.274 0.00 . 1 . . . . A 159 TYR H . 31122 1 2012 . 1 . 1 159 159 TYR HA H 1 4.869 0.00 . 1 . . . . A 159 TYR HA . 31122 1 2013 . 1 . 1 159 159 TYR HB2 H 1 3.618 0.00 . 2 . . . . A 159 TYR HB2 . 31122 1 2014 . 1 . 1 159 159 TYR HB3 H 1 2.358 0.00 . 2 . . . . A 159 TYR HB3 . 31122 1 2015 . 1 . 1 159 159 TYR HD1 H 1 6.787 0.00 . 3 . . . . A 159 TYR HD1 . 31122 1 2016 . 1 . 1 159 159 TYR HD2 H 1 6.787 0.00 . 3 . . . . A 159 TYR HD2 . 31122 1 2017 . 1 . 1 159 159 TYR HE1 H 1 6.812 0.00 . 3 . . . . A 159 TYR HE1 . 31122 1 2018 . 1 . 1 159 159 TYR HE2 H 1 6.812 0.00 . 3 . . . . A 159 TYR HE2 . 31122 1 2019 . 1 . 1 159 159 TYR C C 13 174.358 0.00 . 1 . . . . A 159 TYR C . 31122 1 2020 . 1 . 1 159 159 TYR CA C 13 57.839 0.00 . 1 . . . . A 159 TYR CA . 31122 1 2021 . 1 . 1 159 159 TYR CB C 13 38.129 0.00 . 1 . . . . A 159 TYR CB . 31122 1 2022 . 1 . 1 159 159 TYR CD1 C 13 133.045 0.00 . 3 . . . . A 159 TYR CD1 . 31122 1 2023 . 1 . 1 159 159 TYR CD2 C 13 133.036 0.00 . 3 . . . . A 159 TYR CD2 . 31122 1 2024 . 1 . 1 159 159 TYR CE1 C 13 118.133 0.00 . 3 . . . . A 159 TYR CE1 . 31122 1 2025 . 1 . 1 159 159 TYR CE2 C 13 118.133 0.00 . 3 . . . . A 159 TYR CE2 . 31122 1 2026 . 1 . 1 159 159 TYR N N 15 119.695 0.01 . 1 . . . . A 159 TYR N . 31122 1 2027 . 1 . 1 160 160 PHE H H 1 9.240 0.00 . 1 . . . . A 160 PHE H . 31122 1 2028 . 1 . 1 160 160 PHE HA H 1 5.707 0.00 . 1 . . . . A 160 PHE HA . 31122 1 2029 . 1 . 1 160 160 PHE HB2 H 1 3.333 0.00 . 2 . . . . A 160 PHE HB2 . 31122 1 2030 . 1 . 1 160 160 PHE HB3 H 1 2.740 0.00 . 2 . . . . A 160 PHE HB3 . 31122 1 2031 . 1 . 1 160 160 PHE HD1 H 1 7.119 0.00 . 3 . . . . A 160 PHE HD1 . 31122 1 2032 . 1 . 1 160 160 PHE HD2 H 1 7.119 0.00 . 3 . . . . A 160 PHE HD2 . 31122 1 2033 . 1 . 1 160 160 PHE HE1 H 1 7.134 0.00 . 3 . . . . A 160 PHE HE1 . 31122 1 2034 . 1 . 1 160 160 PHE HE2 H 1 7.134 0.00 . 3 . . . . A 160 PHE HE2 . 31122 1 2035 . 1 . 1 160 160 PHE C C 13 177.059 0.00 . 1 . . . . A 160 PHE C . 31122 1 2036 . 1 . 1 160 160 PHE CA C 13 55.721 0.00 . 1 . . . . A 160 PHE CA . 31122 1 2037 . 1 . 1 160 160 PHE CB C 13 44.200 0.01 . 1 . . . . A 160 PHE CB . 31122 1 2038 . 1 . 1 160 160 PHE CD1 C 13 131.729 0.00 . 3 . . . . A 160 PHE CD1 . 31122 1 2039 . 1 . 1 160 160 PHE CD2 C 13 131.746 0.00 . 3 . . . . A 160 PHE CD2 . 31122 1 2040 . 1 . 1 160 160 PHE CE1 C 13 130.599 0.00 . 3 . . . . A 160 PHE CE1 . 31122 1 2041 . 1 . 1 160 160 PHE CE2 C 13 130.599 0.00 . 3 . . . . A 160 PHE CE2 . 31122 1 2042 . 1 . 1 160 160 PHE N N 15 120.834 0.01 . 1 . . . . A 160 PHE N . 31122 1 2043 . 1 . 1 161 161 LEU H H 1 8.303 0.00 . 1 . . . . A 161 LEU H . 31122 1 2044 . 1 . 1 161 161 LEU HA H 1 4.892 0.00 . 1 . . . . A 161 LEU HA . 31122 1 2045 . 1 . 1 161 161 LEU HB2 H 1 1.437 0.00 . 2 . . . . A 161 LEU HB2 . 31122 1 2046 . 1 . 1 161 161 LEU HB3 H 1 1.437 0.00 . 2 . . . . A 161 LEU HB3 . 31122 1 2047 . 1 . 1 161 161 LEU HG H 1 1.553 0.00 . 1 . . . . A 161 LEU HG . 31122 1 2048 . 1 . 1 161 161 LEU HD11 H 1 0.224 0.00 . 1 . . . . A 161 LEU HD11 . 31122 1 2049 . 1 . 1 161 161 LEU HD12 H 1 0.224 0.00 . 1 . . . . A 161 LEU HD12 . 31122 1 2050 . 1 . 1 161 161 LEU HD13 H 1 0.224 0.00 . 1 . . . . A 161 LEU HD13 . 31122 1 2051 . 1 . 1 161 161 LEU HD21 H 1 0.613 0.00 . 1 . . . . A 161 LEU HD21 . 31122 1 2052 . 1 . 1 161 161 LEU HD22 H 1 0.613 0.00 . 1 . . . . A 161 LEU HD22 . 31122 1 2053 . 1 . 1 161 161 LEU HD23 H 1 0.613 0.00 . 1 . . . . A 161 LEU HD23 . 31122 1 2054 . 1 . 1 161 161 LEU C C 13 176.014 0.00 . 1 . . . . A 161 LEU C . 31122 1 2055 . 1 . 1 161 161 LEU CA C 13 55.979 0.00 . 1 . . . . A 161 LEU CA . 31122 1 2056 . 1 . 1 161 161 LEU CB C 13 41.659 0.00 . 1 . . . . A 161 LEU CB . 31122 1 2057 . 1 . 1 161 161 LEU CG C 13 26.892 0.00 . 1 . . . . A 161 LEU CG . 31122 1 2058 . 1 . 1 161 161 LEU CD1 C 13 24.962 0.00 . 1 . . . . A 161 LEU CD1 . 31122 1 2059 . 1 . 1 161 161 LEU CD2 C 13 23.616 0.00 . 1 . . . . A 161 LEU CD2 . 31122 1 2060 . 1 . 1 161 161 LEU N N 15 118.034 0.04 . 1 . . . . A 161 LEU N . 31122 1 2061 . 1 . 1 162 162 ALA H H 1 9.151 0.00 . 1 . . . . A 162 ALA H . 31122 1 2062 . 1 . 1 162 162 ALA HA H 1 5.065 0.00 . 1 . . . . A 162 ALA HA . 31122 1 2063 . 1 . 1 162 162 ALA HB1 H 1 1.288 0.00 . 1 . . . . A 162 ALA HB1 . 31122 1 2064 . 1 . 1 162 162 ALA HB2 H 1 1.288 0.00 . 1 . . . . A 162 ALA HB2 . 31122 1 2065 . 1 . 1 162 162 ALA HB3 H 1 1.288 0.00 . 1 . . . . A 162 ALA HB3 . 31122 1 2066 . 1 . 1 162 162 ALA C C 13 174.851 0.01 . 1 . . . . A 162 ALA C . 31122 1 2067 . 1 . 1 162 162 ALA CA C 13 51.104 0.00 . 1 . . . . A 162 ALA CA . 31122 1 2068 . 1 . 1 162 162 ALA CB C 13 23.211 0.00 . 1 . . . . A 162 ALA CB . 31122 1 2069 . 1 . 1 162 162 ALA N N 15 127.532 0.01 . 1 . . . . A 162 ALA N . 31122 1 2070 . 1 . 1 163 163 CYS H H 1 9.291 0.00 . 1 . . . . A 163 CYS H . 31122 1 2071 . 1 . 1 163 163 CYS HA H 1 5.922 0.00 . 1 . . . . A 163 CYS HA . 31122 1 2072 . 1 . 1 163 163 CYS HB2 H 1 3.023 0.00 . 2 . . . . A 163 CYS HB2 . 31122 1 2073 . 1 . 1 163 163 CYS HB3 H 1 2.622 0.00 . 2 . . . . A 163 CYS HB3 . 31122 1 2074 . 1 . 1 163 163 CYS C C 13 173.742 0.00 . 1 . . . . A 163 CYS C . 31122 1 2075 . 1 . 1 163 163 CYS CA C 13 56.747 0.00 . 1 . . . . A 163 CYS CA . 31122 1 2076 . 1 . 1 163 163 CYS CB C 13 32.477 0.00 . 1 . . . . A 163 CYS CB . 31122 1 2077 . 1 . 1 163 163 CYS N N 15 113.786 0.01 . 1 . . . . A 163 CYS N . 31122 1 2078 . 1 . 1 164 164 GLU H H 1 8.965 0.00 . 1 . . . . A 164 GLU H . 31122 1 2079 . 1 . 1 164 164 GLU HA H 1 5.032 0.00 . 1 . . . . A 164 GLU HA . 31122 1 2080 . 1 . 1 164 164 GLU HB2 H 1 2.013 0.00 . 2 . . . . A 164 GLU HB2 . 31122 1 2081 . 1 . 1 164 164 GLU HB3 H 1 1.889 0.00 . 2 . . . . A 164 GLU HB3 . 31122 1 2082 . 1 . 1 164 164 GLU HG2 H 1 2.119 0.00 . 2 . . . . A 164 GLU HG2 . 31122 1 2083 . 1 . 1 164 164 GLU HG3 H 1 2.067 0.00 . 2 . . . . A 164 GLU HG3 . 31122 1 2084 . 1 . 1 164 164 GLU C C 13 174.730 0.00 . 1 . . . . A 164 GLU C . 31122 1 2085 . 1 . 1 164 164 GLU CA C 13 54.058 0.00 . 1 . . . . A 164 GLU CA . 31122 1 2086 . 1 . 1 164 164 GLU CB C 13 33.943 0.00 . 1 . . . . A 164 GLU CB . 31122 1 2087 . 1 . 1 164 164 GLU CG C 13 35.802 0.00 . 1 . . . . A 164 GLU CG . 31122 1 2088 . 1 . 1 164 164 GLU N N 15 120.628 0.00 . 1 . . . . A 164 GLU N . 31122 1 2089 . 1 . 1 165 165 LYS H H 1 8.797 0.00 . 1 . . . . A 165 LYS H . 31122 1 2090 . 1 . 1 165 165 LYS HA H 1 3.940 0.00 . 1 . . . . A 165 LYS HA . 31122 1 2091 . 1 . 1 165 165 LYS HB2 H 1 1.534 0.00 . 2 . . . . A 165 LYS HB2 . 31122 1 2092 . 1 . 1 165 165 LYS HB3 H 1 1.087 0.00 . 2 . . . . A 165 LYS HB3 . 31122 1 2093 . 1 . 1 165 165 LYS HG2 H 1 0.837 0.00 . 2 . . . . A 165 LYS HG2 . 31122 1 2094 . 1 . 1 165 165 LYS HG3 H 1 0.428 0.00 . 2 . . . . A 165 LYS HG3 . 31122 1 2095 . 1 . 1 165 165 LYS HD2 H 1 1.207 0.00 . 2 . . . . A 165 LYS HD2 . 31122 1 2096 . 1 . 1 165 165 LYS HD3 H 1 1.220 0.00 . 2 . . . . A 165 LYS HD3 . 31122 1 2097 . 1 . 1 165 165 LYS HE2 H 1 2.758 0.00 . 2 . . . . A 165 LYS HE2 . 31122 1 2098 . 1 . 1 165 165 LYS HE3 H 1 2.652 0.00 . 2 . . . . A 165 LYS HE3 . 31122 1 2099 . 1 . 1 165 165 LYS C C 13 175.929 0.00 . 1 . . . . A 165 LYS C . 31122 1 2100 . 1 . 1 165 165 LYS CA C 13 56.852 0.00 . 1 . . . . A 165 LYS CA . 31122 1 2101 . 1 . 1 165 165 LYS CB C 13 33.433 0.01 . 1 . . . . A 165 LYS CB . 31122 1 2102 . 1 . 1 165 165 LYS CG C 13 24.877 0.05 . 1 . . . . A 165 LYS CG . 31122 1 2103 . 1 . 1 165 165 LYS CD C 13 29.314 0.01 . 1 . . . . A 165 LYS CD . 31122 1 2104 . 1 . 1 165 165 LYS CE C 13 41.942 0.00 . 1 . . . . A 165 LYS CE . 31122 1 2105 . 1 . 1 165 165 LYS N N 15 126.309 0.01 . 1 . . . . A 165 LYS N . 31122 1 2106 . 1 . 1 166 166 GLU H H 1 8.832 0.00 . 1 . . . . A 166 GLU H . 31122 1 2107 . 1 . 1 166 166 GLU HA H 1 4.303 0.00 . 1 . . . . A 166 GLU HA . 31122 1 2108 . 1 . 1 166 166 GLU HB2 H 1 1.894 0.00 . 2 . . . . A 166 GLU HB2 . 31122 1 2109 . 1 . 1 166 166 GLU HB3 H 1 1.780 0.00 . 2 . . . . A 166 GLU HB3 . 31122 1 2110 . 1 . 1 166 166 GLU HG2 H 1 2.156 0.00 . 2 . . . . A 166 GLU HG2 . 31122 1 2111 . 1 . 1 166 166 GLU HG3 H 1 1.976 0.00 . 2 . . . . A 166 GLU HG3 . 31122 1 2112 . 1 . 1 166 166 GLU C C 13 174.397 0.00 . 1 . . . . A 166 GLU C . 31122 1 2113 . 1 . 1 166 166 GLU CA C 13 56.056 0.00 . 1 . . . . A 166 GLU CA . 31122 1 2114 . 1 . 1 166 166 GLU CB C 13 31.410 0.00 . 1 . . . . A 166 GLU CB . 31122 1 2115 . 1 . 1 166 166 GLU CG C 13 36.536 0.05 . 1 . . . . A 166 GLU CG . 31122 1 2116 . 1 . 1 166 166 GLU N N 15 129.191 0.01 . 1 . . . . A 166 GLU N . 31122 1 2117 . 1 . 1 167 167 ARG H H 1 8.896 0.00 . 1 . . . . A 167 ARG H . 31122 1 2118 . 1 . 1 167 167 ARG HA H 1 3.613 0.00 . 1 . . . . A 167 ARG HA . 31122 1 2119 . 1 . 1 167 167 ARG HB2 H 1 2.009 0.00 . 2 . . . . A 167 ARG HB2 . 31122 1 2120 . 1 . 1 167 167 ARG HB3 H 1 1.732 0.00 . 2 . . . . A 167 ARG HB3 . 31122 1 2121 . 1 . 1 167 167 ARG HG2 H 1 1.545 0.00 . 2 . . . . A 167 ARG HG2 . 31122 1 2122 . 1 . 1 167 167 ARG HG3 H 1 1.482 0.00 . 2 . . . . A 167 ARG HG3 . 31122 1 2123 . 1 . 1 167 167 ARG HD2 H 1 3.142 0.00 . 2 . . . . A 167 ARG HD2 . 31122 1 2124 . 1 . 1 167 167 ARG HD3 H 1 3.082 0.00 . 2 . . . . A 167 ARG HD3 . 31122 1 2125 . 1 . 1 167 167 ARG C C 13 174.683 0.00 . 1 . . . . A 167 ARG C . 31122 1 2126 . 1 . 1 167 167 ARG CA C 13 58.632 0.00 . 1 . . . . A 167 ARG CA . 31122 1 2127 . 1 . 1 167 167 ARG CB C 13 27.538 0.02 . 1 . . . . A 167 ARG CB . 31122 1 2128 . 1 . 1 167 167 ARG CG C 13 27.783 0.00 . 1 . . . . A 167 ARG CG . 31122 1 2129 . 1 . 1 167 167 ARG CD C 13 43.178 0.01 . 1 . . . . A 167 ARG CD . 31122 1 2130 . 1 . 1 167 167 ARG N N 15 123.914 0.00 . 1 . . . . A 167 ARG N . 31122 1 2131 . 1 . 1 168 168 ASP H H 1 8.750 0.00 . 1 . . . . A 168 ASP H . 31122 1 2132 . 1 . 1 168 168 ASP HA H 1 4.471 0.00 . 1 . . . . A 168 ASP HA . 31122 1 2133 . 1 . 1 168 168 ASP HB2 H 1 2.729 0.00 . 2 . . . . A 168 ASP HB2 . 31122 1 2134 . 1 . 1 168 168 ASP HB3 H 1 2.633 0.00 . 2 . . . . A 168 ASP HB3 . 31122 1 2135 . 1 . 1 168 168 ASP C C 13 174.703 0.00 . 1 . . . . A 168 ASP C . 31122 1 2136 . 1 . 1 168 168 ASP CA C 13 54.258 0.00 . 1 . . . . A 168 ASP CA . 31122 1 2137 . 1 . 1 168 168 ASP CB C 13 40.230 0.00 . 1 . . . . A 168 ASP CB . 31122 1 2138 . 1 . 1 168 168 ASP N N 15 119.015 0.00 . 1 . . . . A 168 ASP N . 31122 1 2139 . 1 . 1 169 169 LEU H H 1 7.748 0.00 . 1 . . . . A 169 LEU H . 31122 1 2140 . 1 . 1 169 169 LEU HA H 1 4.863 0.00 . 1 . . . . A 169 LEU HA . 31122 1 2141 . 1 . 1 169 169 LEU HB2 H 1 1.709 0.00 . 2 . . . . A 169 LEU HB2 . 31122 1 2142 . 1 . 1 169 169 LEU HB3 H 1 1.507 0.00 . 2 . . . . A 169 LEU HB3 . 31122 1 2143 . 1 . 1 169 169 LEU HG H 1 1.498 0.00 . 1 . . . . A 169 LEU HG . 31122 1 2144 . 1 . 1 169 169 LEU HD11 H 1 0.233 0.00 . 1 . . . . A 169 LEU HD11 . 31122 1 2145 . 1 . 1 169 169 LEU HD12 H 1 0.233 0.00 . 1 . . . . A 169 LEU HD12 . 31122 1 2146 . 1 . 1 169 169 LEU HD13 H 1 0.233 0.00 . 1 . . . . A 169 LEU HD13 . 31122 1 2147 . 1 . 1 169 169 LEU HD21 H 1 0.686 0.00 . 1 . . . . A 169 LEU HD21 . 31122 1 2148 . 1 . 1 169 169 LEU HD22 H 1 0.686 0.00 . 1 . . . . A 169 LEU HD22 . 31122 1 2149 . 1 . 1 169 169 LEU HD23 H 1 0.686 0.00 . 1 . . . . A 169 LEU HD23 . 31122 1 2150 . 1 . 1 169 169 LEU C C 13 175.183 0.00 . 1 . . . . A 169 LEU C . 31122 1 2151 . 1 . 1 169 169 LEU CA C 13 53.522 0.00 . 1 . . . . A 169 LEU CA . 31122 1 2152 . 1 . 1 169 169 LEU CB C 13 46.061 0.00 . 1 . . . . A 169 LEU CB . 31122 1 2153 . 1 . 1 169 169 LEU CG C 13 26.722 0.00 . 1 . . . . A 169 LEU CG . 31122 1 2154 . 1 . 1 169 169 LEU CD1 C 13 24.808 0.00 . 1 . . . . A 169 LEU CD1 . 31122 1 2155 . 1 . 1 169 169 LEU CD2 C 13 23.794 0.00 . 1 . . . . A 169 LEU CD2 . 31122 1 2156 . 1 . 1 169 169 LEU N N 15 120.057 0.00 . 1 . . . . A 169 LEU N . 31122 1 2157 . 1 . 1 170 170 PHE H H 1 8.520 0.00 . 1 . . . . A 170 PHE H . 31122 1 2158 . 1 . 1 170 170 PHE HA H 1 5.244 0.00 . 1 . . . . A 170 PHE HA . 31122 1 2159 . 1 . 1 170 170 PHE HB2 H 1 2.822 0.00 . 2 . . . . A 170 PHE HB2 . 31122 1 2160 . 1 . 1 170 170 PHE HB3 H 1 2.601 0.00 . 2 . . . . A 170 PHE HB3 . 31122 1 2161 . 1 . 1 170 170 PHE HD1 H 1 7.099 0.00 . 3 . . . . A 170 PHE HD1 . 31122 1 2162 . 1 . 1 170 170 PHE HD2 H 1 7.099 0.00 . 3 . . . . A 170 PHE HD2 . 31122 1 2163 . 1 . 1 170 170 PHE HE1 H 1 6.585 0.00 . 3 . . . . A 170 PHE HE1 . 31122 1 2164 . 1 . 1 170 170 PHE HE2 H 1 6.585 0.00 . 3 . . . . A 170 PHE HE2 . 31122 1 2165 . 1 . 1 170 170 PHE C C 13 174.695 0.00 . 1 . . . . A 170 PHE C . 31122 1 2166 . 1 . 1 170 170 PHE CA C 13 56.866 0.00 . 1 . . . . A 170 PHE CA . 31122 1 2167 . 1 . 1 170 170 PHE CB C 13 42.457 0.03 . 1 . . . . A 170 PHE CB . 31122 1 2168 . 1 . 1 170 170 PHE CD1 C 13 131.564 0.00 . 3 . . . . A 170 PHE CD1 . 31122 1 2169 . 1 . 1 170 170 PHE CD2 C 13 131.564 0.00 . 3 . . . . A 170 PHE CD2 . 31122 1 2170 . 1 . 1 170 170 PHE CE1 C 13 131.577 0.00 . 3 . . . . A 170 PHE CE1 . 31122 1 2171 . 1 . 1 170 170 PHE CE2 C 13 131.577 0.00 . 3 . . . . A 170 PHE CE2 . 31122 1 2172 . 1 . 1 170 170 PHE N N 15 117.199 0.01 . 1 . . . . A 170 PHE N . 31122 1 2173 . 1 . 1 171 171 LYS H H 1 9.308 0.00 . 1 . . . . A 171 LYS H . 31122 1 2174 . 1 . 1 171 171 LYS HA H 1 4.900 0.00 . 1 . . . . A 171 LYS HA . 31122 1 2175 . 1 . 1 171 171 LYS HB2 H 1 1.676 0.00 . 2 . . . . A 171 LYS HB2 . 31122 1 2176 . 1 . 1 171 171 LYS HB3 H 1 1.563 0.00 . 2 . . . . A 171 LYS HB3 . 31122 1 2177 . 1 . 1 171 171 LYS HG2 H 1 0.954 0.00 . 2 . . . . A 171 LYS HG2 . 31122 1 2178 . 1 . 1 171 171 LYS HG3 H 1 1.250 0.00 . 2 . . . . A 171 LYS HG3 . 31122 1 2179 . 1 . 1 171 171 LYS HD2 H 1 1.549 0.00 . 2 . . . . A 171 LYS HD2 . 31122 1 2180 . 1 . 1 171 171 LYS HD3 H 1 1.534 0.00 . 2 . . . . A 171 LYS HD3 . 31122 1 2181 . 1 . 1 171 171 LYS HE2 H 1 2.793 0.00 . 2 . . . . A 171 LYS HE2 . 31122 1 2182 . 1 . 1 171 171 LYS HE3 H 1 2.789 0.00 . 2 . . . . A 171 LYS HE3 . 31122 1 2183 . 1 . 1 171 171 LYS C C 13 175.367 0.00 . 1 . . . . A 171 LYS C . 31122 1 2184 . 1 . 1 171 171 LYS CA C 13 54.530 0.00 . 1 . . . . A 171 LYS CA . 31122 1 2185 . 1 . 1 171 171 LYS CB C 13 36.245 0.01 . 1 . . . . A 171 LYS CB . 31122 1 2186 . 1 . 1 171 171 LYS CG C 13 23.740 0.01 . 1 . . . . A 171 LYS CG . 31122 1 2187 . 1 . 1 171 171 LYS CD C 13 29.683 0.00 . 1 . . . . A 171 LYS CD . 31122 1 2188 . 1 . 1 171 171 LYS CE C 13 42.045 0.00 . 1 . . . . A 171 LYS CE . 31122 1 2189 . 1 . 1 171 171 LYS N N 15 122.105 0.02 . 1 . . . . A 171 LYS N . 31122 1 2190 . 1 . 1 172 172 LEU H H 1 8.345 0.00 . 1 . . . . A 172 LEU H . 31122 1 2191 . 1 . 1 172 172 LEU HA H 1 5.004 0.00 . 1 . . . . A 172 LEU HA . 31122 1 2192 . 1 . 1 172 172 LEU HB2 H 1 1.698 0.00 . 2 . . . . A 172 LEU HB2 . 31122 1 2193 . 1 . 1 172 172 LEU HB3 H 1 1.475 0.00 . 2 . . . . A 172 LEU HB3 . 31122 1 2194 . 1 . 1 172 172 LEU HG H 1 1.552 0.00 . 1 . . . . A 172 LEU HG . 31122 1 2195 . 1 . 1 172 172 LEU HD11 H 1 0.585 0.00 . 1 . . . . A 172 LEU HD11 . 31122 1 2196 . 1 . 1 172 172 LEU HD12 H 1 0.585 0.00 . 1 . . . . A 172 LEU HD12 . 31122 1 2197 . 1 . 1 172 172 LEU HD13 H 1 0.585 0.00 . 1 . . . . A 172 LEU HD13 . 31122 1 2198 . 1 . 1 172 172 LEU HD21 H 1 0.530 0.00 . 1 . . . . A 172 LEU HD21 . 31122 1 2199 . 1 . 1 172 172 LEU HD22 H 1 0.530 0.00 . 1 . . . . A 172 LEU HD22 . 31122 1 2200 . 1 . 1 172 172 LEU HD23 H 1 0.530 0.00 . 1 . . . . A 172 LEU HD23 . 31122 1 2201 . 1 . 1 172 172 LEU C C 13 176.119 0.02 . 1 . . . . A 172 LEU C . 31122 1 2202 . 1 . 1 172 172 LEU CA C 13 55.680 0.00 . 1 . . . . A 172 LEU CA . 31122 1 2203 . 1 . 1 172 172 LEU CB C 13 43.426 0.01 . 1 . . . . A 172 LEU CB . 31122 1 2204 . 1 . 1 172 172 LEU CG C 13 26.995 0.00 . 1 . . . . A 172 LEU CG . 31122 1 2205 . 1 . 1 172 172 LEU CD1 C 13 24.378 0.00 . 1 . . . . A 172 LEU CD1 . 31122 1 2206 . 1 . 1 172 172 LEU CD2 C 13 25.730 0.00 . 1 . . . . A 172 LEU CD2 . 31122 1 2207 . 1 . 1 172 172 LEU N N 15 124.196 0.01 . 1 . . . . A 172 LEU N . 31122 1 2208 . 1 . 1 173 173 ILE H H 1 9.136 0.00 . 1 . . . . A 173 ILE H . 31122 1 2209 . 1 . 1 173 173 ILE HA H 1 4.496 0.00 . 1 . . . . A 173 ILE HA . 31122 1 2210 . 1 . 1 173 173 ILE HB H 1 1.877 0.00 . 1 . . . . A 173 ILE HB . 31122 1 2211 . 1 . 1 173 173 ILE HG12 H 1 1.579 0.00 . 2 . . . . A 173 ILE HG12 . 31122 1 2212 . 1 . 1 173 173 ILE HG13 H 1 1.282 0.00 . 2 . . . . A 173 ILE HG13 . 31122 1 2213 . 1 . 1 173 173 ILE HG21 H 1 0.850 0.00 . 1 . . . . A 173 ILE HG21 . 31122 1 2214 . 1 . 1 173 173 ILE HG22 H 1 0.850 0.00 . 1 . . . . A 173 ILE HG22 . 31122 1 2215 . 1 . 1 173 173 ILE HG23 H 1 0.850 0.00 . 1 . . . . A 173 ILE HG23 . 31122 1 2216 . 1 . 1 173 173 ILE HD11 H 1 0.825 0.00 . 1 . . . . A 173 ILE HD11 . 31122 1 2217 . 1 . 1 173 173 ILE HD12 H 1 0.825 0.00 . 1 . . . . A 173 ILE HD12 . 31122 1 2218 . 1 . 1 173 173 ILE HD13 H 1 0.825 0.00 . 1 . . . . A 173 ILE HD13 . 31122 1 2219 . 1 . 1 173 173 ILE C C 13 172.195 0.00 . 1 . . . . A 173 ILE C . 31122 1 2220 . 1 . 1 173 173 ILE CA C 13 60.736 0.00 . 1 . . . . A 173 ILE CA . 31122 1 2221 . 1 . 1 173 173 ILE CB C 13 43.072 0.00 . 1 . . . . A 173 ILE CB . 31122 1 2222 . 1 . 1 173 173 ILE CG1 C 13 27.000 0.01 . 1 . . . . A 173 ILE CG1 . 31122 1 2223 . 1 . 1 173 173 ILE CG2 C 13 17.960 0.00 . 1 . . . . A 173 ILE CG2 . 31122 1 2224 . 1 . 1 173 173 ILE CD1 C 13 15.381 0.00 . 1 . . . . A 173 ILE CD1 . 31122 1 2225 . 1 . 1 173 173 ILE N N 15 121.506 0.01 . 1 . . . . A 173 ILE N . 31122 1 2226 . 1 . 1 174 174 LEU H H 1 8.209 0.00 . 1 . . . . A 174 LEU H . 31122 1 2227 . 1 . 1 174 174 LEU HA H 1 5.211 0.00 . 1 . . . . A 174 LEU HA . 31122 1 2228 . 1 . 1 174 174 LEU HB2 H 1 1.768 0.00 . 2 . . . . A 174 LEU HB2 . 31122 1 2229 . 1 . 1 174 174 LEU HB3 H 1 1.082 0.00 . 2 . . . . A 174 LEU HB3 . 31122 1 2230 . 1 . 1 174 174 LEU HG H 1 1.604 0.00 . 1 . . . . A 174 LEU HG . 31122 1 2231 . 1 . 1 174 174 LEU HD11 H 1 0.913 0.00 . 1 . . . . A 174 LEU HD11 . 31122 1 2232 . 1 . 1 174 174 LEU HD12 H 1 0.913 0.00 . 1 . . . . A 174 LEU HD12 . 31122 1 2233 . 1 . 1 174 174 LEU HD13 H 1 0.913 0.00 . 1 . . . . A 174 LEU HD13 . 31122 1 2234 . 1 . 1 174 174 LEU HD21 H 1 0.605 0.00 . 1 . . . . A 174 LEU HD21 . 31122 1 2235 . 1 . 1 174 174 LEU HD22 H 1 0.605 0.00 . 1 . . . . A 174 LEU HD22 . 31122 1 2236 . 1 . 1 174 174 LEU HD23 H 1 0.605 0.00 . 1 . . . . A 174 LEU HD23 . 31122 1 2237 . 1 . 1 174 174 LEU C C 13 176.445 0.00 . 1 . . . . A 174 LEU C . 31122 1 2238 . 1 . 1 174 174 LEU CA C 13 53.605 0.00 . 1 . . . . A 174 LEU CA . 31122 1 2239 . 1 . 1 174 174 LEU CB C 13 44.496 0.00 . 1 . . . . A 174 LEU CB . 31122 1 2240 . 1 . 1 174 174 LEU CG C 13 27.734 0.00 . 1 . . . . A 174 LEU CG . 31122 1 2241 . 1 . 1 174 174 LEU CD1 C 13 23.929 0.00 . 1 . . . . A 174 LEU CD1 . 31122 1 2242 . 1 . 1 174 174 LEU CD2 C 13 25.584 0.00 . 1 . . . . A 174 LEU CD2 . 31122 1 2243 . 1 . 1 174 174 LEU N N 15 122.237 0.01 . 1 . . . . A 174 LEU N . 31122 1 2244 . 1 . 1 175 175 LYS H H 1 9.361 0.00 . 1 . . . . A 175 LYS H . 31122 1 2245 . 1 . 1 175 175 LYS HA H 1 4.801 0.00 . 1 . . . . A 175 LYS HA . 31122 1 2246 . 1 . 1 175 175 LYS HB2 H 1 1.747 0.00 . 2 . . . . A 175 LYS HB2 . 31122 1 2247 . 1 . 1 175 175 LYS HB3 H 1 1.395 0.00 . 2 . . . . A 175 LYS HB3 . 31122 1 2248 . 1 . 1 175 175 LYS HG2 H 1 1.399 0.00 . 2 . . . . A 175 LYS HG2 . 31122 1 2249 . 1 . 1 175 175 LYS HG3 H 1 1.279 0.00 . 2 . . . . A 175 LYS HG3 . 31122 1 2250 . 1 . 1 175 175 LYS HD2 H 1 1.717 0.00 . 2 . . . . A 175 LYS HD2 . 31122 1 2251 . 1 . 1 175 175 LYS HD3 H 1 1.717 0.00 . 2 . . . . A 175 LYS HD3 . 31122 1 2252 . 1 . 1 175 175 LYS HE2 H 1 2.974 0.00 . 2 . . . . A 175 LYS HE2 . 31122 1 2253 . 1 . 1 175 175 LYS HE3 H 1 2.898 0.00 . 2 . . . . A 175 LYS HE3 . 31122 1 2254 . 1 . 1 175 175 LYS C C 13 174.733 0.00 . 1 . . . . A 175 LYS C . 31122 1 2255 . 1 . 1 175 175 LYS CA C 13 53.803 0.00 . 1 . . . . A 175 LYS CA . 31122 1 2256 . 1 . 1 175 175 LYS CB C 13 38.109 0.00 . 1 . . . . A 175 LYS CB . 31122 1 2257 . 1 . 1 175 175 LYS CG C 13 24.670 0.02 . 1 . . . . A 175 LYS CG . 31122 1 2258 . 1 . 1 175 175 LYS CD C 13 28.818 0.00 . 1 . . . . A 175 LYS CD . 31122 1 2259 . 1 . 1 175 175 LYS CE C 13 42.319 0.01 . 1 . . . . A 175 LYS CE . 31122 1 2260 . 1 . 1 175 175 LYS N N 15 127.195 0.00 . 1 . . . . A 175 LYS N . 31122 1 2261 . 1 . 1 176 176 LYS H H 1 8.746 0.00 . 1 . . . . A 176 LYS H . 31122 1 2262 . 1 . 1 176 176 LYS HA H 1 4.116 0.00 . 1 . . . . A 176 LYS HA . 31122 1 2263 . 1 . 1 176 176 LYS HB2 H 1 1.387 0.00 . 2 . . . . A 176 LYS HB2 . 31122 1 2264 . 1 . 1 176 176 LYS HB3 H 1 1.000 0.00 . 2 . . . . A 176 LYS HB3 . 31122 1 2265 . 1 . 1 176 176 LYS HG2 H 1 0.943 0.00 . 2 . . . . A 176 LYS HG2 . 31122 1 2266 . 1 . 1 176 176 LYS HG3 H 1 0.637 0.00 . 2 . . . . A 176 LYS HG3 . 31122 1 2267 . 1 . 1 176 176 LYS HD2 H 1 1.438 0.00 . 2 . . . . A 176 LYS HD2 . 31122 1 2268 . 1 . 1 176 176 LYS HD3 H 1 1.438 0.00 . 2 . . . . A 176 LYS HD3 . 31122 1 2269 . 1 . 1 176 176 LYS HE2 H 1 2.928 0.00 . 2 . . . . A 176 LYS HE2 . 31122 1 2270 . 1 . 1 176 176 LYS HE3 H 1 2.890 0.00 . 2 . . . . A 176 LYS HE3 . 31122 1 2271 . 1 . 1 176 176 LYS C C 13 178.573 0.00 . 1 . . . . A 176 LYS C . 31122 1 2272 . 1 . 1 176 176 LYS CA C 13 56.679 0.00 . 1 . . . . A 176 LYS CA . 31122 1 2273 . 1 . 1 176 176 LYS CB C 13 32.837 0.00 . 1 . . . . A 176 LYS CB . 31122 1 2274 . 1 . 1 176 176 LYS CG C 13 25.098 0.02 . 1 . . . . A 176 LYS CG . 31122 1 2275 . 1 . 1 176 176 LYS CD C 13 29.336 0.00 . 1 . . . . A 176 LYS CD . 31122 1 2276 . 1 . 1 176 176 LYS CE C 13 41.868 0.01 . 1 . . . . A 176 LYS CE . 31122 1 2277 . 1 . 1 176 176 LYS N N 15 126.663 0.02 . 1 . . . . A 176 LYS N . 31122 1 2278 . 1 . 1 177 177 GLU H H 1 8.466 0.00 . 1 . . . . A 177 GLU H . 31122 1 2279 . 1 . 1 177 177 GLU HA H 1 3.676 0.00 . 1 . . . . A 177 GLU HA . 31122 1 2280 . 1 . 1 177 177 GLU HB2 H 1 2.015 0.00 . 2 . . . . A 177 GLU HB2 . 31122 1 2281 . 1 . 1 177 177 GLU HB3 H 1 2.015 0.00 . 2 . . . . A 177 GLU HB3 . 31122 1 2282 . 1 . 1 177 177 GLU HG2 H 1 2.050 0.00 . 2 . . . . A 177 GLU HG2 . 31122 1 2283 . 1 . 1 177 177 GLU HG3 H 1 1.923 0.00 . 2 . . . . A 177 GLU HG3 . 31122 1 2284 . 1 . 1 177 177 GLU C C 13 177.364 0.00 . 1 . . . . A 177 GLU C . 31122 1 2285 . 1 . 1 177 177 GLU CA C 13 59.829 0.00 . 1 . . . . A 177 GLU CA . 31122 1 2286 . 1 . 1 177 177 GLU CB C 13 29.810 0.00 . 1 . . . . A 177 GLU CB . 31122 1 2287 . 1 . 1 177 177 GLU CG C 13 35.745 0.02 . 1 . . . . A 177 GLU CG . 31122 1 2288 . 1 . 1 177 177 GLU N N 15 123.801 0.00 . 1 . . . . A 177 GLU N . 31122 1 2289 . 1 . 1 178 178 ASP H H 1 8.160 0.00 . 1 . . . . A 178 ASP H . 31122 1 2290 . 1 . 1 178 178 ASP HA H 1 4.413 0.00 . 1 . . . . A 178 ASP HA . 31122 1 2291 . 1 . 1 178 178 ASP HB2 H 1 2.795 0.00 . 2 . . . . A 178 ASP HB2 . 31122 1 2292 . 1 . 1 178 178 ASP HB3 H 1 2.571 0.00 . 2 . . . . A 178 ASP HB3 . 31122 1 2293 . 1 . 1 178 178 ASP C C 13 176.537 0.02 . 1 . . . . A 178 ASP C . 31122 1 2294 . 1 . 1 178 178 ASP CA C 13 54.265 0.00 . 1 . . . . A 178 ASP CA . 31122 1 2295 . 1 . 1 178 178 ASP CB C 13 39.475 0.00 . 1 . . . . A 178 ASP CB . 31122 1 2296 . 1 . 1 178 178 ASP N N 15 114.280 0.01 . 1 . . . . A 178 ASP N . 31122 1 2297 . 1 . 1 179 179 GLU H H 1 7.712 0.00 . 1 . . . . A 179 GLU H . 31122 1 2298 . 1 . 1 179 179 GLU HA H 1 4.376 0.00 . 1 . . . . A 179 GLU HA . 31122 1 2299 . 1 . 1 179 179 GLU HB2 H 1 2.187 0.00 . 2 . . . . A 179 GLU HB2 . 31122 1 2300 . 1 . 1 179 179 GLU HB3 H 1 1.881 0.00 . 2 . . . . A 179 GLU HB3 . 31122 1 2301 . 1 . 1 179 179 GLU HG2 H 1 2.143 0.00 . 2 . . . . A 179 GLU HG2 . 31122 1 2302 . 1 . 1 179 179 GLU HG3 H 1 2.175 0.00 . 2 . . . . A 179 GLU HG3 . 31122 1 2303 . 1 . 1 179 179 GLU C C 13 176.578 0.00 . 1 . . . . A 179 GLU C . 31122 1 2304 . 1 . 1 179 179 GLU CA C 13 55.351 0.00 . 1 . . . . A 179 GLU CA . 31122 1 2305 . 1 . 1 179 179 GLU CB C 13 30.785 0.01 . 1 . . . . A 179 GLU CB . 31122 1 2306 . 1 . 1 179 179 GLU CG C 13 36.495 0.02 . 1 . . . . A 179 GLU CG . 31122 1 2307 . 1 . 1 179 179 GLU N N 15 117.952 0.00 . 1 . . . . A 179 GLU N . 31122 1 2308 . 1 . 1 180 180 LEU H H 1 7.397 0.00 . 1 . . . . A 180 LEU H . 31122 1 2309 . 1 . 1 180 180 LEU HA H 1 4.106 0.00 . 1 . . . . A 180 LEU HA . 31122 1 2310 . 1 . 1 180 180 LEU HB2 H 1 1.756 0.00 . 2 . . . . A 180 LEU HB2 . 31122 1 2311 . 1 . 1 180 180 LEU HB3 H 1 1.390 0.00 . 2 . . . . A 180 LEU HB3 . 31122 1 2312 . 1 . 1 180 180 LEU HG H 1 1.703 0.00 . 1 . . . . A 180 LEU HG . 31122 1 2313 . 1 . 1 180 180 LEU HD11 H 1 0.831 0.00 . 1 . . . . A 180 LEU HD11 . 31122 1 2314 . 1 . 1 180 180 LEU HD12 H 1 0.831 0.00 . 1 . . . . A 180 LEU HD12 . 31122 1 2315 . 1 . 1 180 180 LEU HD13 H 1 0.831 0.00 . 1 . . . . A 180 LEU HD13 . 31122 1 2316 . 1 . 1 180 180 LEU HD21 H 1 0.613 0.00 . 1 . . . . A 180 LEU HD21 . 31122 1 2317 . 1 . 1 180 180 LEU HD22 H 1 0.613 0.00 . 1 . . . . A 180 LEU HD22 . 31122 1 2318 . 1 . 1 180 180 LEU HD23 H 1 0.613 0.00 . 1 . . . . A 180 LEU HD23 . 31122 1 2319 . 1 . 1 180 180 LEU C C 13 177.613 0.00 . 1 . . . . A 180 LEU C . 31122 1 2320 . 1 . 1 180 180 LEU CA C 13 55.930 0.00 . 1 . . . . A 180 LEU CA . 31122 1 2321 . 1 . 1 180 180 LEU CB C 13 41.924 0.01 . 1 . . . . A 180 LEU CB . 31122 1 2322 . 1 . 1 180 180 LEU CG C 13 26.664 0.00 . 1 . . . . A 180 LEU CG . 31122 1 2323 . 1 . 1 180 180 LEU CD1 C 13 25.980 0.00 . 1 . . . . A 180 LEU CD1 . 31122 1 2324 . 1 . 1 180 180 LEU CD2 C 13 23.520 0.00 . 1 . . . . A 180 LEU CD2 . 31122 1 2325 . 1 . 1 180 180 LEU N N 15 121.449 0.00 . 1 . . . . A 180 LEU N . 31122 1 2326 . 1 . 1 181 181 GLY H H 1 8.167 0.00 . 1 . . . . A 181 GLY H . 31122 1 2327 . 1 . 1 181 181 GLY HA2 H 1 4.164 0.00 . 2 . . . . A 181 GLY HA2 . 31122 1 2328 . 1 . 1 181 181 GLY HA3 H 1 3.831 0.00 . 2 . . . . A 181 GLY HA3 . 31122 1 2329 . 1 . 1 181 181 GLY C C 13 173.808 0.01 . 1 . . . . A 181 GLY C . 31122 1 2330 . 1 . 1 181 181 GLY CA C 13 45.620 0.01 . 1 . . . . A 181 GLY CA . 31122 1 2331 . 1 . 1 181 181 GLY N N 15 108.718 0.01 . 1 . . . . A 181 GLY N . 31122 1 2332 . 1 . 1 182 182 ASP H H 1 8.333 0.00 . 1 . . . . A 182 ASP H . 31122 1 2333 . 1 . 1 182 182 ASP HA H 1 4.571 0.00 . 1 . . . . A 182 ASP HA . 31122 1 2334 . 1 . 1 182 182 ASP HB2 H 1 2.787 0.00 . 2 . . . . A 182 ASP HB2 . 31122 1 2335 . 1 . 1 182 182 ASP HB3 H 1 2.657 0.00 . 2 . . . . A 182 ASP HB3 . 31122 1 2336 . 1 . 1 182 182 ASP C C 13 176.093 0.01 . 1 . . . . A 182 ASP C . 31122 1 2337 . 1 . 1 182 182 ASP CA C 13 54.999 0.00 . 1 . . . . A 182 ASP CA . 31122 1 2338 . 1 . 1 182 182 ASP CB C 13 40.554 0.03 . 1 . . . . A 182 ASP CB . 31122 1 2339 . 1 . 1 182 182 ASP N N 15 120.022 0.01 . 1 . . . . A 182 ASP N . 31122 1 2340 . 1 . 1 183 183 ARG H H 1 8.316 0.00 . 1 . . . . A 183 ARG H . 31122 1 2341 . 1 . 1 183 183 ARG HA H 1 4.322 0.00 . 1 . . . . A 183 ARG HA . 31122 1 2342 . 1 . 1 183 183 ARG HB2 H 1 2.069 0.00 . 2 . . . . A 183 ARG HB2 . 31122 1 2343 . 1 . 1 183 183 ARG HB3 H 1 1.831 0.00 . 2 . . . . A 183 ARG HB3 . 31122 1 2344 . 1 . 1 183 183 ARG HG2 H 1 1.654 0.00 . 2 . . . . A 183 ARG HG2 . 31122 1 2345 . 1 . 1 183 183 ARG HG3 H 1 1.571 0.00 . 2 . . . . A 183 ARG HG3 . 31122 1 2346 . 1 . 1 183 183 ARG HD2 H 1 3.158 0.00 . 2 . . . . A 183 ARG HD2 . 31122 1 2347 . 1 . 1 183 183 ARG HD3 H 1 3.158 0.00 . 2 . . . . A 183 ARG HD3 . 31122 1 2348 . 1 . 1 183 183 ARG C C 13 175.463 0.00 . 1 . . . . A 183 ARG C . 31122 1 2349 . 1 . 1 183 183 ARG CA C 13 56.284 0.00 . 1 . . . . A 183 ARG CA . 31122 1 2350 . 1 . 1 183 183 ARG CB C 13 30.583 0.03 . 1 . . . . A 183 ARG CB . 31122 1 2351 . 1 . 1 183 183 ARG CG C 13 27.430 0.00 . 1 . . . . A 183 ARG CG . 31122 1 2352 . 1 . 1 183 183 ARG CD C 13 43.299 0.00 . 1 . . . . A 183 ARG CD . 31122 1 2353 . 1 . 1 183 183 ARG N N 15 117.850 0.03 . 1 . . . . A 183 ARG N . 31122 1 2354 . 1 . 1 184 184 SER H H 1 7.700 0.00 . 1 . . . . A 184 SER H . 31122 1 2355 . 1 . 1 184 184 SER HA H 1 5.419 0.00 . 1 . . . . A 184 SER HA . 31122 1 2356 . 1 . 1 184 184 SER HB2 H 1 3.761 0.00 . 2 . . . . A 184 SER HB2 . 31122 1 2357 . 1 . 1 184 184 SER HB3 H 1 3.695 0.00 . 2 . . . . A 184 SER HB3 . 31122 1 2358 . 1 . 1 184 184 SER C C 13 172.714 0.00 . 1 . . . . A 184 SER C . 31122 1 2359 . 1 . 1 184 184 SER CA C 13 57.241 0.00 . 1 . . . . A 184 SER CA . 31122 1 2360 . 1 . 1 184 184 SER CB C 13 65.594 0.02 . 1 . . . . A 184 SER CB . 31122 1 2361 . 1 . 1 184 184 SER N N 15 113.224 0.00 . 1 . . . . A 184 SER N . 31122 1 2362 . 1 . 1 185 185 ILE H H 1 8.810 0.00 . 1 . . . . A 185 ILE H . 31122 1 2363 . 1 . 1 185 185 ILE HA H 1 4.581 0.00 . 1 . . . . A 185 ILE HA . 31122 1 2364 . 1 . 1 185 185 ILE HB H 1 1.655 0.00 . 1 . . . . A 185 ILE HB . 31122 1 2365 . 1 . 1 185 185 ILE HG12 H 1 1.327 0.00 . 2 . . . . A 185 ILE HG12 . 31122 1 2366 . 1 . 1 185 185 ILE HG13 H 1 1.076 0.00 . 2 . . . . A 185 ILE HG13 . 31122 1 2367 . 1 . 1 185 185 ILE HG21 H 1 0.734 0.00 . 1 . . . . A 185 ILE HG21 . 31122 1 2368 . 1 . 1 185 185 ILE HG22 H 1 0.734 0.00 . 1 . . . . A 185 ILE HG22 . 31122 1 2369 . 1 . 1 185 185 ILE HG23 H 1 0.734 0.00 . 1 . . . . A 185 ILE HG23 . 31122 1 2370 . 1 . 1 185 185 ILE HD11 H 1 0.593 0.00 . 1 . . . . A 185 ILE HD11 . 31122 1 2371 . 1 . 1 185 185 ILE HD12 H 1 0.593 0.00 . 1 . . . . A 185 ILE HD12 . 31122 1 2372 . 1 . 1 185 185 ILE HD13 H 1 0.593 0.00 . 1 . . . . A 185 ILE HD13 . 31122 1 2373 . 1 . 1 185 185 ILE C C 13 174.342 0.01 . 1 . . . . A 185 ILE C . 31122 1 2374 . 1 . 1 185 185 ILE CA C 13 59.416 0.00 . 1 . . . . A 185 ILE CA . 31122 1 2375 . 1 . 1 185 185 ILE CB C 13 41.809 0.00 . 1 . . . . A 185 ILE CB . 31122 1 2376 . 1 . 1 185 185 ILE CG1 C 13 26.728 0.06 . 1 . . . . A 185 ILE CG1 . 31122 1 2377 . 1 . 1 185 185 ILE CG2 C 13 17.344 0.00 . 1 . . . . A 185 ILE CG2 . 31122 1 2378 . 1 . 1 185 185 ILE CD1 C 13 14.964 0.00 . 1 . . . . A 185 ILE CD1 . 31122 1 2379 . 1 . 1 185 185 ILE N N 15 118.157 0.01 . 1 . . . . A 185 ILE N . 31122 1 2380 . 1 . 1 186 186 MET H H 1 8.509 0.00 . 1 . . . . A 186 MET H . 31122 1 2381 . 1 . 1 186 186 MET HA H 1 4.358 0.00 . 1 . . . . A 186 MET HA . 31122 1 2382 . 1 . 1 186 186 MET HB2 H 1 1.993 0.00 . 2 . . . . A 186 MET HB2 . 31122 1 2383 . 1 . 1 186 186 MET HB3 H 1 1.896 0.00 . 2 . . . . A 186 MET HB3 . 31122 1 2384 . 1 . 1 186 186 MET HG2 H 1 2.393 0.00 . 2 . . . . A 186 MET HG2 . 31122 1 2385 . 1 . 1 186 186 MET HG3 H 1 2.429 0.00 . 2 . . . . A 186 MET HG3 . 31122 1 2386 . 1 . 1 186 186 MET HE1 H 1 1.591 0.00 . 1 . . . . A 186 MET HE1 . 31122 1 2387 . 1 . 1 186 186 MET HE2 H 1 1.591 0.00 . 1 . . . . A 186 MET HE2 . 31122 1 2388 . 1 . 1 186 186 MET HE3 H 1 1.591 0.00 . 1 . . . . A 186 MET HE3 . 31122 1 2389 . 1 . 1 186 186 MET C C 13 175.313 0.00 . 1 . . . . A 186 MET C . 31122 1 2390 . 1 . 1 186 186 MET CA C 13 56.658 0.00 . 1 . . . . A 186 MET CA . 31122 1 2391 . 1 . 1 186 186 MET CB C 13 33.330 0.01 . 1 . . . . A 186 MET CB . 31122 1 2392 . 1 . 1 186 186 MET CG C 13 31.235 0.00 . 1 . . . . A 186 MET CG . 31122 1 2393 . 1 . 1 186 186 MET CE C 13 16.022 0.00 . 1 . . . . A 186 MET CE . 31122 1 2394 . 1 . 1 186 186 MET N N 15 124.451 0.01 . 1 . . . . A 186 MET N . 31122 1 2395 . 1 . 1 187 187 PHE H H 1 8.070 0.00 . 1 . . . . A 187 PHE H . 31122 1 2396 . 1 . 1 187 187 PHE HA H 1 4.568 0.00 . 1 . . . . A 187 PHE HA . 31122 1 2397 . 1 . 1 187 187 PHE HB2 H 1 2.925 0.00 . 2 . . . . A 187 PHE HB2 . 31122 1 2398 . 1 . 1 187 187 PHE HB3 H 1 2.659 0.00 . 2 . . . . A 187 PHE HB3 . 31122 1 2399 . 1 . 1 187 187 PHE HD1 H 1 6.848 0.00 . 3 . . . . A 187 PHE HD1 . 31122 1 2400 . 1 . 1 187 187 PHE HD2 H 1 6.848 0.00 . 3 . . . . A 187 PHE HD2 . 31122 1 2401 . 1 . 1 187 187 PHE HE1 H 1 6.425 0.00 . 3 . . . . A 187 PHE HE1 . 31122 1 2402 . 1 . 1 187 187 PHE HE2 H 1 6.425 0.00 . 3 . . . . A 187 PHE HE2 . 31122 1 2403 . 1 . 1 187 187 PHE HZ H 1 6.180 0.00 . 1 . . . . A 187 PHE HZ . 31122 1 2404 . 1 . 1 187 187 PHE C C 13 173.176 0.01 . 1 . . . . A 187 PHE C . 31122 1 2405 . 1 . 1 187 187 PHE CA C 13 57.447 0.00 . 1 . . . . A 187 PHE CA . 31122 1 2406 . 1 . 1 187 187 PHE CB C 13 40.319 0.00 . 1 . . . . A 187 PHE CB . 31122 1 2407 . 1 . 1 187 187 PHE CD1 C 13 130.723 0.00 . 3 . . . . A 187 PHE CD1 . 31122 1 2408 . 1 . 1 187 187 PHE CD2 C 13 130.723 0.00 . 3 . . . . A 187 PHE CD2 . 31122 1 2409 . 1 . 1 187 187 PHE CE1 C 13 130.689 0.00 . 3 . . . . A 187 PHE CE1 . 31122 1 2410 . 1 . 1 187 187 PHE CE2 C 13 130.689 0.00 . 3 . . . . A 187 PHE CE2 . 31122 1 2411 . 1 . 1 187 187 PHE CZ C 13 129.586 0.00 . 1 . . . . A 187 PHE CZ . 31122 1 2412 . 1 . 1 187 187 PHE N N 15 127.515 0.02 . 1 . . . . A 187 PHE N . 31122 1 2413 . 1 . 1 188 188 THR H H 1 6.660 0.00 . 1 . . . . A 188 THR H . 31122 1 2414 . 1 . 1 188 188 THR HA H 1 5.251 0.00 . 1 . . . . A 188 THR HA . 31122 1 2415 . 1 . 1 188 188 THR HB H 1 3.766 0.00 . 1 . . . . A 188 THR HB . 31122 1 2416 . 1 . 1 188 188 THR HG21 H 1 0.751 0.00 . 1 . . . . A 188 THR HG21 . 31122 1 2417 . 1 . 1 188 188 THR HG22 H 1 0.751 0.00 . 1 . . . . A 188 THR HG22 . 31122 1 2418 . 1 . 1 188 188 THR HG23 H 1 0.751 0.00 . 1 . . . . A 188 THR HG23 . 31122 1 2419 . 1 . 1 188 188 THR C C 13 171.732 0.01 . 1 . . . . A 188 THR C . 31122 1 2420 . 1 . 1 188 188 THR CA C 13 59.221 0.00 . 1 . . . . A 188 THR CA . 31122 1 2421 . 1 . 1 188 188 THR CB C 13 72.933 0.00 . 1 . . . . A 188 THR CB . 31122 1 2422 . 1 . 1 188 188 THR CG2 C 13 23.644 0.00 . 1 . . . . A 188 THR CG2 . 31122 1 2423 . 1 . 1 188 188 THR N N 15 118.576 0.01 . 1 . . . . A 188 THR N . 31122 1 2424 . 1 . 1 189 189 VAL H H 1 7.860 0.00 . 1 . . . . A 189 VAL H . 31122 1 2425 . 1 . 1 189 189 VAL HA H 1 4.296 0.00 . 1 . . . . A 189 VAL HA . 31122 1 2426 . 1 . 1 189 189 VAL HB H 1 1.938 0.00 . 1 . . . . A 189 VAL HB . 31122 1 2427 . 1 . 1 189 189 VAL HG11 H 1 0.977 0.00 . 1 . . . . A 189 VAL HG11 . 31122 1 2428 . 1 . 1 189 189 VAL HG12 H 1 0.977 0.00 . 1 . . . . A 189 VAL HG12 . 31122 1 2429 . 1 . 1 189 189 VAL HG13 H 1 0.977 0.00 . 1 . . . . A 189 VAL HG13 . 31122 1 2430 . 1 . 1 189 189 VAL HG21 H 1 0.865 0.00 . 1 . . . . A 189 VAL HG21 . 31122 1 2431 . 1 . 1 189 189 VAL HG22 H 1 0.865 0.00 . 1 . . . . A 189 VAL HG22 . 31122 1 2432 . 1 . 1 189 189 VAL HG23 H 1 0.865 0.00 . 1 . . . . A 189 VAL HG23 . 31122 1 2433 . 1 . 1 189 189 VAL C C 13 174.824 0.00 . 1 . . . . A 189 VAL C . 31122 1 2434 . 1 . 1 189 189 VAL CA C 13 59.272 0.00 . 1 . . . . A 189 VAL CA . 31122 1 2435 . 1 . 1 189 189 VAL CB C 13 35.647 0.00 . 1 . . . . A 189 VAL CB . 31122 1 2436 . 1 . 1 189 189 VAL CG1 C 13 21.992 0.00 . 1 . . . . A 189 VAL CG1 . 31122 1 2437 . 1 . 1 189 189 VAL CG2 C 13 21.937 0.00 . 1 . . . . A 189 VAL CG2 . 31122 1 2438 . 1 . 1 189 189 VAL N N 15 111.959 0.02 . 1 . . . . A 189 VAL N . 31122 1 2439 . 1 . 1 190 190 GLN H H 1 8.704 0.00 . 1 . . . . A 190 GLN H . 31122 1 2440 . 1 . 1 190 190 GLN HA H 1 4.776 0.00 . 1 . . . . A 190 GLN HA . 31122 1 2441 . 1 . 1 190 190 GLN HB2 H 1 1.926 0.00 . 2 . . . . A 190 GLN HB2 . 31122 1 2442 . 1 . 1 190 190 GLN HB3 H 1 1.809 0.00 . 2 . . . . A 190 GLN HB3 . 31122 1 2443 . 1 . 1 190 190 GLN HG2 H 1 2.342 0.00 . 2 . . . . A 190 GLN HG2 . 31122 1 2444 . 1 . 1 190 190 GLN HG3 H 1 2.217 0.00 . 2 . . . . A 190 GLN HG3 . 31122 1 2445 . 1 . 1 190 190 GLN HE21 H 1 7.554 0.00 . 1 . . . . A 190 GLN HE21 . 31122 1 2446 . 1 . 1 190 190 GLN HE22 H 1 6.700 0.00 . 1 . . . . A 190 GLN HE22 . 31122 1 2447 . 1 . 1 190 190 GLN C C 13 175.191 0.01 . 1 . . . . A 190 GLN C . 31122 1 2448 . 1 . 1 190 190 GLN CA C 13 55.145 0.00 . 1 . . . . A 190 GLN CA . 31122 1 2449 . 1 . 1 190 190 GLN CB C 13 30.486 0.01 . 1 . . . . A 190 GLN CB . 31122 1 2450 . 1 . 1 190 190 GLN CG C 13 33.704 0.00 . 1 . . . . A 190 GLN CG . 31122 1 2451 . 1 . 1 190 190 GLN CD C 13 179.570 0.01 . 1 . . . . A 190 GLN CD . 31122 1 2452 . 1 . 1 190 190 GLN N N 15 124.889 0.00 . 1 . . . . A 190 GLN N . 31122 1 2453 . 1 . 1 190 190 GLN NE2 N 15 111.609 0.00 . 1 . . . . A 190 GLN NE2 . 31122 1 2454 . 1 . 1 191 191 ASN H H 1 8.562 0.00 . 1 . . . . A 191 ASN H . 31122 1 2455 . 1 . 1 191 191 ASN HA H 1 4.459 0.00 . 1 . . . . A 191 ASN HA . 31122 1 2456 . 1 . 1 191 191 ASN HB2 H 1 2.490 0.00 . 2 . . . . A 191 ASN HB2 . 31122 1 2457 . 1 . 1 191 191 ASN HB3 H 1 2.373 0.00 . 2 . . . . A 191 ASN HB3 . 31122 1 2458 . 1 . 1 191 191 ASN HD21 H 1 7.092 0.00 . 1 . . . . A 191 ASN HD21 . 31122 1 2459 . 1 . 1 191 191 ASN HD22 H 1 6.486 0.00 . 1 . . . . A 191 ASN HD22 . 31122 1 2460 . 1 . 1 191 191 ASN C C 13 174.844 0.02 . 1 . . . . A 191 ASN C . 31122 1 2461 . 1 . 1 191 191 ASN CA C 13 52.969 0.00 . 1 . . . . A 191 ASN CA . 31122 1 2462 . 1 . 1 191 191 ASN CB C 13 39.246 0.04 . 1 . . . . A 191 ASN CB . 31122 1 2463 . 1 . 1 191 191 ASN CG C 13 175.505 0.01 . 1 . . . . A 191 ASN CG . 31122 1 2464 . 1 . 1 191 191 ASN N N 15 124.010 0.01 . 1 . . . . A 191 ASN N . 31122 1 2465 . 1 . 1 191 191 ASN ND2 N 15 110.422 0.01 . 1 . . . . A 191 ASN ND2 . 31122 1 2466 . 1 . 1 192 192 GLU H H 1 7.984 0.00 . 1 . . . . A 192 GLU H . 31122 1 2467 . 1 . 1 192 192 GLU HA H 1 4.275 0.00 . 1 . . . . A 192 GLU HA . 31122 1 2468 . 1 . 1 192 192 GLU HB2 H 1 1.994 0.00 . 2 . . . . A 192 GLU HB2 . 31122 1 2469 . 1 . 1 192 192 GLU HB3 H 1 1.673 0.00 . 2 . . . . A 192 GLU HB3 . 31122 1 2470 . 1 . 1 192 192 GLU HG2 H 1 2.140 0.00 . 2 . . . . A 192 GLU HG2 . 31122 1 2471 . 1 . 1 192 192 GLU HG3 H 1 2.140 0.00 . 2 . . . . A 192 GLU HG3 . 31122 1 2472 . 1 . 1 192 192 GLU C C 13 174.999 0.01 . 1 . . . . A 192 GLU C . 31122 1 2473 . 1 . 1 192 192 GLU CA C 13 55.909 0.00 . 1 . . . . A 192 GLU CA . 31122 1 2474 . 1 . 1 192 192 GLU CB C 13 30.846 0.01 . 1 . . . . A 192 GLU CB . 31122 1 2475 . 1 . 1 192 192 GLU CG C 13 36.104 0.00 . 1 . . . . A 192 GLU CG . 31122 1 2476 . 1 . 1 192 192 GLU N N 15 121.742 0.01 . 1 . . . . A 192 GLU N . 31122 1 2477 . 1 . 1 193 193 ASP H H 1 7.947 0.00 . 1 . . . . A 193 ASP H . 31122 1 2478 . 1 . 1 193 193 ASP HA H 1 4.258 0.00 . 1 . . . . A 193 ASP HA . 31122 1 2479 . 1 . 1 193 193 ASP HB2 H 1 2.561 0.00 . 2 . . . . A 193 ASP HB2 . 31122 1 2480 . 1 . 1 193 193 ASP HB3 H 1 2.437 0.00 . 2 . . . . A 193 ASP HB3 . 31122 1 2481 . 1 . 1 193 193 ASP C C 13 180.820 0.00 . 1 . . . . A 193 ASP C . 31122 1 2482 . 1 . 1 193 193 ASP CA C 13 55.867 0.00 . 1 . . . . A 193 ASP CA . 31122 1 2483 . 1 . 1 193 193 ASP CB C 13 41.990 0.00 . 1 . . . . A 193 ASP CB . 31122 1 2484 . 1 . 1 193 193 ASP N N 15 126.829 0.00 . 1 . . . . A 193 ASP N . 31122 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 31122 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D HNH NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 H #INAME 2 N #INAME 3 HN #SPECTRUM N15NOESY H N HN #TOLERANCE 0.0250 0.2000 0.0150 1 5.054 120.438 7.929 1 U 1.240000E+12 0.000000E+00 e 0 0 0 0 2 9.002 120.443 7.932 1 U 3.310000E+11 0.000000E+00 e 0 0 0 0 3 8.338 120.428 7.929 1 U 3.770000E+11 0.000000E+00 e 0 0 0 0 4 4.762 122.416 8.995 1 U 7.550000E+11 0.000000E+00 e 0 0 0 0 5 8.371 118.088 7.804 1 U 2.440000E+12 0.000000E+00 e 0 0 0 0 6 8.390 122.081 8.283 1 U 2.120000E+12 0.000000E+00 e 0 0 0 0 7 8.283 124.691 8.410 1 U 1.860000E+12 0.000000E+00 e 0 0 0 0 8 8.123 124.694 8.410 1 U 1.860000E+12 0.000000E+00 e 0 0 0 0 9 8.409 120.429 8.123 1 U 3.790000E+12 0.000000E+00 e 0 0 0 0 10 8.000 113.735 8.808 1 U 8.710000E+11 0.000000E+00 e 0 0 0 0 11 6.347 113.718 8.809 1 U 4.320000E+11 0.000000E+00 e 0 0 0 0 12 5.549 113.720 8.809 1 U 5.240000E+11 0.000000E+00 e 0 0 0 0 13 8.833 117.477 8.287 1 U 4.650000E+11 0.000000E+00 e 0 0 0 0 14 8.000 117.461 8.286 1 U 3.940000E+11 0.000000E+00 e 0 0 0 0 15 8.620 118.676 8.834 1 U 6.960000E+11 0.000000E+00 e 0 0 0 0 16 6.608 127.367 8.623 1 U 3.520000E+11 0.000000E+00 e 0 0 0 0 17 8.960 126.472 8.334 1 U 4.010000E+11 0.000000E+00 e 0 0 0 0 18 8.624 126.474 8.333 1 U 5.500000E+11 0.000000E+00 e 0 0 0 0 19 8.407 126.758 8.959 1 U 1.280000E+12 0.000000E+00 e 0 0 0 0 20 8.960 113.085 8.407 1 U 1.330000E+12 0.000000E+00 e 0 0 0 0 21 8.409 113.790 6.880 1 U 1.990000E+12 0.000000E+00 e 0 0 0 0 22 8.333 113.788 6.881 1 U 1.120000E+12 0.000000E+00 e 0 0 0 0 23 7.619 113.838 6.888 1 U 1.440000E+13 0.000000E+00 e 0 0 0 0 24 7.286 122.857 8.594 1 U 1.250000E+12 0.000000E+00 e 0 0 0 0 25 8.519 117.561 9.367 1 U 3.950000E+11 0.000000E+00 e 0 0 0 0 26 8.830 120.915 8.099 1 U 3.610000E+11 0.000000E+00 e 0 0 0 0 27 6.590 120.901 8.097 1 U 5.430000E+11 0.000000E+00 e 0 0 0 0 28 8.434 130.074 9.243 1 U 3.940000E+11 0.000000E+00 e 0 0 0 0 29 8.095 130.075 9.243 1 U 3.100000E+11 0.000000E+00 e 0 0 0 0 30 9.242 120.469 8.432 1 U 3.620000E+11 0.000000E+00 e 0 0 0 0 31 8.809 120.462 8.433 1 U 4.720000E+11 0.000000E+00 e 0 0 0 0 32 4.663 125.269 8.344 1 U 6.540000E+11 0.000000E+00 e 0 0 0 0 33 5.046 125.232 8.342 1 U 3.200000E+11 0.000000E+00 e 0 0 0 0 34 3.809 125.276 8.343 1 U 5.630000E+11 0.000000E+00 e 0 0 0 0 35 7.442 125.798 8.705 1 U 5.740000E+11 0.000000E+00 e 0 0 0 0 36 6.682 125.786 8.705 1 U 4.310000E+11 0.000000E+00 e 0 0 0 0 37 8.812 122.244 7.997 1 U 1.740000E+12 0.000000E+00 e 0 0 0 0 38 5.548 122.243 7.998 1 U 6.030000E+11 0.000000E+00 e 0 0 0 0 39 6.883 113.087 8.406 1 U 1.890000E+12 0.000000E+00 e 0 0 0 0 40 5.321 122.781 8.611 1 U 6.010000E+11 0.000000E+00 e 0 0 0 0 41 4.511 122.782 8.609 1 U 9.190000E+11 0.000000E+00 e 0 0 0 0 42 9.366 117.562 9.366 1 U 1.510000E+12 0.000000E+00 e 0 0 0 0 43 5.311 117.565 9.364 1 U 1.040000E+12 0.000000E+00 e 0 0 0 0 44 9.361 117.197 8.517 1 U 4.640000E+11 0.000000E+00 e 0 0 0 0 45 7.998 120.893 8.097 1 U 4.030000E+11 0.000000E+00 e 0 0 0 0 46 5.183 120.461 8.432 1 U 1.580000E+12 0.000000E+00 e 0 0 0 0 47 5.548 120.462 8.432 1 U 6.430000E+11 0.000000E+00 e 0 0 0 0 48 4.115 120.460 8.432 1 U 1.280000E+12 0.000000E+00 e 0 0 0 0 49 8.263 122.247 8.434 1 U 1.300000E+12 0.000000E+00 e 0 0 0 0 50 4.115 122.247 8.434 1 U 5.650000E+12 0.000000E+00 e 0 0 0 0 51 4.565 122.248 8.434 1 U 2.670000E+12 0.000000E+00 e 0 0 0 0 52 8.518 121.418 8.264 1 U 2.960000E+12 0.000000E+00 e 0 0 0 0 53 8.434 121.416 8.263 1 U 2.530000E+12 0.000000E+00 e 0 0 0 0 54 4.561 121.416 8.264 1 U 1.110000E+13 0.000000E+00 e 0 0 0 0 55 4.128 121.758 8.517 1 U 4.140000E+12 0.000000E+00 e 0 0 0 0 56 4.546 121.758 8.517 1 U 7.050000E+12 0.000000E+00 e 0 0 0 0 57 8.431 121.758 8.518 1 U 3.680000E+12 0.000000E+00 e 0 0 0 0 58 8.263 121.756 8.517 1 U 2.830000E+12 0.000000E+00 e 0 0 0 0 59 8.519 118.290 8.431 1 U 3.690000E+12 0.000000E+00 e 0 0 0 0 60 8.022 118.291 8.431 1 U 3.950000E+12 0.000000E+00 e 0 0 0 0 61 7.671 118.292 8.431 1 U 9.040000E+11 0.000000E+00 e 0 0 0 0 62 6.869 118.291 8.431 1 U 5.970000E+11 0.000000E+00 e 0 0 0 0 63 8.242 121.668 8.021 1 U 3.250000E+12 0.000000E+00 e 0 0 0 0 64 8.432 121.665 8.021 1 U 3.560000E+12 0.000000E+00 e 0 0 0 0 65 8.058 119.821 8.239 1 U 2.760000E+12 0.000000E+00 e 0 0 0 0 66 8.033 119.821 8.242 1 U 3.550000E+12 0.000000E+00 e 0 0 0 0 67 8.320 115.704 8.064 1 U 2.540000E+12 0.000000E+00 e 0 0 0 0 68 8.241 115.694 8.062 1 U 2.470000E+12 0.000000E+00 e 0 0 0 0 69 8.061 121.743 8.320 1 U 2.110000E+12 0.000000E+00 e 0 0 0 0 70 7.911 121.752 8.319 1 U 2.610000E+12 0.000000E+00 e 0 0 0 0 71 8.321 119.842 7.909 1 U 2.340000E+12 0.000000E+00 e 0 0 0 0 72 8.046 119.843 7.909 1 U 2.930000E+12 0.000000E+00 e 0 0 0 0 73 7.902 119.255 8.043 1 U 3.730000E+12 0.000000E+00 e 0 0 0 0 74 8.046 108.927 7.898 1 U 2.160000E+12 0.000000E+00 e 0 0 0 0 75 8.173 120.175 7.864 1 U 1.770000E+12 0.000000E+00 e 0 0 0 0 76 7.867 122.294 8.173 1 U 1.100000E+12 0.000000E+00 e 0 0 0 0 77 8.318 122.281 8.173 1 U 1.230000E+12 0.000000E+00 e 0 0 0 0 78 4.239 122.290 8.172 1 U 2.910000E+12 0.000000E+00 e 0 0 0 0 79 4.186 122.265 8.170 1 U 1.290000E+12 0.000000E+00 e 0 0 0 0 80 8.172 120.558 8.314 1 U 1.420000E+12 0.000000E+00 e 0 0 0 0 81 8.073 120.572 8.315 1 U 1.130000E+12 0.000000E+00 e 0 0 0 0 82 8.170 115.734 8.068 1 U 7.880000E+11 0.000000E+00 e 0 0 0 0 83 7.795 120.984 8.169 1 U 6.230000E+11 0.000000E+00 e 0 0 0 0 84 8.171 119.150 7.796 1 U 8.130000E+11 0.000000E+00 e 0 0 0 0 85 5.055 115.777 7.712 1 U 4.080000E+11 0.000000E+00 e 0 0 0 0 86 4.539 115.785 7.713 1 U 1.250000E+12 0.000000E+00 e 0 0 0 0 87 4.565 122.781 7.289 1 U 6.750000E+11 0.000000E+00 e 0 0 0 0 88 9.068 124.668 7.293 1 U 5.000000E+11 0.000000E+00 e 0 0 0 0 89 8.462 118.915 9.056 1 U 7.560000E+11 0.000000E+00 e 0 0 0 0 90 9.058 113.236 8.462 1 U 1.120000E+12 0.000000E+00 e 0 0 0 0 91 7.801 113.240 8.462 1 U 5.440000E+11 0.000000E+00 e 0 0 0 0 92 7.805 112.643 7.367 1 U 1.260000E+12 0.000000E+00 e 0 0 0 0 93 8.462 112.636 7.367 1 U 9.140000E+11 0.000000E+00 e 0 0 0 0 94 7.366 120.821 7.806 1 U 1.550000E+12 0.000000E+00 e 0 0 0 0 95 5.017 128.033 8.891 1 U 1.240000E+12 0.000000E+00 e 0 0 0 0 96 6.748 122.777 8.609 1 U 6.110000E+11 0.000000E+00 e 0 0 0 0 97 6.603 122.778 8.609 1 U 5.470000E+11 0.000000E+00 e 0 0 0 0 98 8.837 122.785 8.608 1 U 4.030000E+11 0.000000E+00 e 0 0 0 0 99 5.242 121.993 9.109 1 U 8.200000E+11 0.000000E+00 e 0 0 0 0 100 4.500 125.605 8.651 1 U 1.890000E+12 0.000000E+00 e 0 0 0 0 101 7.830 108.032 8.483 1 U 9.290000E+11 0.000000E+00 e 0 0 0 0 102 8.484 119.158 7.829 1 U 1.260000E+12 0.000000E+00 e 0 0 0 0 103 8.094 119.165 7.829 1 U 1.450000E+12 0.000000E+00 e 0 0 0 0 104 7.831 122.083 8.094 1 U 1.690000E+12 0.000000E+00 e 0 0 0 0 105 8.418 119.800 7.942 1 U 1.230000E+12 0.000000E+00 e 0 0 0 0 106 8.135 121.050 8.416 1 U 1.290000E+12 0.000000E+00 e 0 0 0 0 107 7.944 121.046 8.416 1 U 1.110000E+12 0.000000E+00 e 0 0 0 0 108 8.080 120.638 8.145 1 U 1.670000E+12 0.000000E+00 e 0 0 0 0 109 4.503 120.679 8.146 1 U 5.040000E+12 0.000000E+00 e 0 0 0 0 110 4.421 120.677 8.146 1 U 2.980000E+12 0.000000E+00 e 0 0 0 0 111 8.270 114.315 8.089 1 U 1.550000E+12 0.000000E+00 e 0 0 0 0 112 8.145 114.311 8.088 1 U 1.990000E+12 0.000000E+00 e 0 0 0 0 113 8.162 122.553 8.269 1 U 1.240000E+12 0.000000E+00 e 0 0 0 0 114 8.090 122.545 8.269 1 U 1.860000E+12 0.000000E+00 e 0 0 0 0 115 8.329 116.058 8.168 1 U 3.430000E+12 0.000000E+00 e 0 0 0 0 116 8.156 122.126 8.331 1 U 4.590000E+12 0.000000E+00 e 0 0 0 0 117 8.328 119.193 8.143 1 U 4.070000E+12 0.000000E+00 e 0 0 0 0 118 8.215 123.171 8.326 1 U 2.230000E+12 0.000000E+00 e 0 0 0 0 119 8.148 123.175 8.326 1 U 1.990000E+12 0.000000E+00 e 0 0 0 0 120 8.328 120.149 8.216 1 U 2.230000E+12 0.000000E+00 e 0 0 0 0 121 8.103 120.151 8.216 1 U 2.500000E+12 0.000000E+00 e 0 0 0 0 122 8.218 117.859 8.103 1 U 2.130000E+12 0.000000E+00 e 0 0 0 0 123 8.106 122.244 8.344 1 U 1.200000E+12 0.000000E+00 e 0 0 0 0 124 8.343 119.531 8.106 1 U 5.520000E+11 0.000000E+00 e 0 0 0 0 125 8.947 125.848 8.611 1 U 4.440000E+11 0.000000E+00 e 0 0 0 0 126 8.236 121.963 8.594 1 U 6.050000E+11 0.000000E+00 e 0 0 0 0 127 8.595 119.276 8.233 1 U 7.350000E+11 0.000000E+00 e 0 0 0 0 128 8.479 119.276 8.233 1 U 6.100000E+11 0.000000E+00 e 0 0 0 0 129 5.938 110.885 8.689 1 U 6.490000E+11 0.000000E+00 e 0 0 0 0 130 8.840 120.336 9.091 1 U 4.240000E+11 0.000000E+00 e 0 0 0 0 131 9.099 126.780 8.833 1 U 3.810000E+11 0.000000E+00 e 0 0 0 0 132 8.695 123.399 8.749 1 U 2.610000E+11 0.000000E+00 e 0 0 0 0 133 8.740 110.869 8.689 1 U 4.340000E+11 0.000000E+00 e 0 0 0 0 134 8.576 118.765 8.926 1 U 4.810000E+11 0.000000E+00 e 0 0 0 0 135 8.611 127.052 8.944 1 U 3.740000E+11 0.000000E+00 e 0 0 0 0 136 8.580 127.821 7.898 1 U 3.500000E+11 0.000000E+00 e 0 0 0 0 137 8.948 127.809 7.896 1 U 3.560000E+11 0.000000E+00 e 0 0 0 0 138 9.036 117.402 7.938 1 U 6.480000E+11 0.000000E+00 e 0 0 0 0 139 8.313 117.403 7.938 1 U 6.270000E+11 0.000000E+00 e 0 0 0 0 140 7.891 117.407 7.934 1 U 1.610000E+12 0.000000E+00 e 0 0 0 0 141 7.944 127.813 7.896 1 U 1.460000E+12 0.000000E+00 e 0 0 0 0 142 8.926 121.808 8.578 1 U 5.830000E+11 0.000000E+00 e 0 0 0 0 143 8.942 121.871 9.554 1 U 5.810000E+11 0.000000E+00 e 0 0 0 0 144 7.980 121.866 9.554 1 U 4.630000E+11 0.000000E+00 e 0 0 0 0 145 8.931 117.831 8.630 1 U 4.520000E+11 0.000000E+00 e 0 0 0 0 146 8.691 123.447 7.962 1 U 7.730000E+11 0.000000E+00 e 0 0 0 0 147 8.643 110.488 8.169 1 U 4.080000E+11 0.000000E+00 e 0 0 0 0 148 8.170 118.783 7.011 1 U 2.050000E+12 0.000000E+00 e 0 0 0 0 149 8.628 124.165 8.914 1 U 4.150000E+11 0.000000E+00 e 0 0 0 0 150 8.924 118.368 8.505 1 U 5.060000E+11 0.000000E+00 e 0 0 0 0 151 9.553 121.955 8.950 1 U 4.520000E+11 0.000000E+00 e 0 0 0 0 152 9.556 125.102 7.983 1 U 6.990000E+11 0.000000E+00 e 0 0 0 0 153 7.637 120.550 8.616 1 U 1.110000E+12 0.000000E+00 e 0 0 0 0 154 8.617 114.257 7.636 1 U 1.470000E+12 0.000000E+00 e 0 0 0 0 155 7.762 122.843 8.192 1 U 6.450000E+11 0.000000E+00 e 0 0 0 0 156 6.950 121.669 7.084 1 U 6.000000E+11 0.000000E+00 e 0 0 0 0 157 9.156 117.908 9.904 1 U 3.180000E+11 0.000000E+00 e 0 0 0 0 158 8.552 125.333 8.899 1 U 4.800000E+11 0.000000E+00 e 0 0 0 0 159 8.900 117.484 8.550 1 U 6.170000E+11 0.000000E+00 e 0 0 0 0 160 8.543 124.907 8.472 1 U 4.230000E+11 0.000000E+00 e 0 0 0 0 161 8.039 113.217 8.665 1 U 8.920000E+11 0.000000E+00 e 0 0 0 0 162 8.667 120.206 8.032 1 U 1.190000E+12 0.000000E+00 e 0 0 0 0 163 8.554 120.210 8.032 1 U 5.680000E+11 0.000000E+00 e 0 0 0 0 164 8.047 122.183 8.553 1 U 8.720000E+11 0.000000E+00 e 0 0 0 0 165 8.047 122.183 8.553 1 U 8.720000E+11 0.000000E+00 e 0 0 0 0 166 7.560 114.491 8.052 1 U 1.240000E+12 0.000000E+00 e 0 0 0 0 167 8.557 114.483 8.052 1 U 8.020000E+11 0.000000E+00 e 0 0 0 0 168 8.050 117.155 7.557 1 U 1.210000E+12 0.000000E+00 e 0 0 0 0 169 8.561 118.687 8.711 1 U 3.410000E+11 0.000000E+00 e 0 0 0 0 170 7.861 118.665 8.712 1 U 3.600000E+11 0.000000E+00 e 0 0 0 0 171 9.912 125.170 9.154 1 U 3.960000E+11 0.000000E+00 e 0 0 0 0 172 7.504 115.892 7.649 1 U 6.910000E+11 0.000000E+00 e 0 0 0 0 173 7.446 115.891 7.649 1 U 3.650000E+11 0.000000E+00 e 0 0 0 0 174 7.651 121.440 7.506 1 U 6.410000E+11 0.000000E+00 e 0 0 0 0 175 9.239 119.703 8.272 1 U 2.670000E+11 0.000000E+00 e 0 0 0 0 176 9.363 120.845 9.236 1 U 3.340000E+11 0.000000E+00 e 0 0 0 0 177 8.809 113.781 9.291 1 U 4.540000E+11 0.000000E+00 e 0 0 0 0 178 9.307 120.626 8.965 1 U 7.120000E+11 0.000000E+00 e 0 0 0 0 179 9.308 129.195 8.831 1 U 4.150000E+11 0.000000E+00 e 0 0 0 0 180 8.902 129.189 8.833 1 U 4.960000E+11 0.000000E+00 e 0 0 0 0 181 8.753 123.910 8.896 1 U 5.820000E+11 0.000000E+00 e 0 0 0 0 182 8.896 119.019 8.748 1 U 4.960000E+11 0.000000E+00 e 0 0 0 0 183 7.747 119.019 8.748 1 U 1.780000E+12 0.000000E+00 e 0 0 0 0 184 8.751 120.061 7.748 1 U 2.440000E+12 0.000000E+00 e 0 0 0 0 185 8.521 120.068 7.747 1 U 4.690000E+11 0.000000E+00 e 0 0 0 0 186 5.209 127.202 9.360 1 U 1.430000E+12 0.000000E+00 e 0 0 0 0 187 9.223 127.193 9.360 1 U 3.370000E+11 0.000000E+00 e 0 0 0 0 188 8.160 123.806 8.464 1 U 7.460000E+11 0.000000E+00 e 0 0 0 0 189 8.747 123.800 8.463 1 U 3.540000E+11 0.000000E+00 e 0 0 0 0 190 8.468 114.286 8.159 1 U 9.330000E+11 0.000000E+00 e 0 0 0 0 191 7.712 114.277 8.160 1 U 1.610000E+12 0.000000E+00 e 0 0 0 0 192 7.398 114.262 8.161 1 U 5.300000E+11 0.000000E+00 e 0 0 0 0 193 7.397 117.964 7.711 1 U 2.050000E+12 0.000000E+00 e 0 0 0 0 194 8.160 117.961 7.711 1 U 1.670000E+12 0.000000E+00 e 0 0 0 0 195 7.713 121.454 7.396 1 U 1.610000E+12 0.000000E+00 e 0 0 0 0 196 8.165 121.454 7.397 1 U 8.040000E+11 0.000000E+00 e 0 0 0 0 197 8.328 108.738 8.165 1 U 9.130000E+11 0.000000E+00 e 0 0 0 0 198 8.167 120.025 8.328 1 U 9.270000E+11 0.000000E+00 e 0 0 0 0 199 7.702 120.041 8.328 1 U 4.400000E+11 0.000000E+00 e 0 0 0 0 200 7.701 117.843 8.316 1 U 1.210000E+12 0.000000E+00 e 0 0 0 0 201 8.317 113.225 7.699 1 U 2.320000E+12 0.000000E+00 e 0 0 0 0 202 8.168 113.220 7.699 1 U 4.920000E+11 0.000000E+00 e 0 0 0 0 203 8.807 113.230 7.700 1 U 5.210000E+11 0.000000E+00 e 0 0 0 0 204 9.294 118.146 8.806 1 U 5.230000E+11 0.000000E+00 e 0 0 0 0 205 7.703 118.135 8.808 1 U 3.510000E+11 0.000000E+00 e 0 0 0 0 206 6.846 118.583 6.659 1 U 4.980000E+11 0.000000E+00 e 0 0 0 0 207 7.713 118.579 6.660 1 U 3.200000E+11 0.000000E+00 e 0 0 0 0 208 8.712 111.971 7.856 1 U 4.120000E+11 0.000000E+00 e 0 0 0 0 209 8.710 123.997 8.560 1 U 5.470000E+11 0.000000E+00 e 0 0 0 0 210 7.986 124.008 8.561 1 U 6.330000E+11 0.000000E+00 e 0 0 0 0 211 8.562 121.732 7.982 1 U 1.250000E+12 0.000000E+00 e 0 0 0 0 212 4.266 126.831 7.947 1 U 1.410000E+13 0.000000E+00 e 0 0 0 0 213 5.184 113.717 8.807 1 U 4.040000E+11 0.000000E+00 e 0 0 0 0 214 8.286 122.248 7.996 1 U 4.390000E+11 0.000000E+00 e 0 0 0 0 215 8.100 122.242 7.997 1 U 5.450000E+11 0.000000E+00 e 0 0 0 0 216 4.831 122.243 7.998 1 U 7.890000E+11 0.000000E+00 e 0 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0.000000E+00 e 0 0 0 0 1764 6.564 110.887 8.689 1 U 3.640000E+11 0.000000E+00 e 0 0 0 0 1765 3.109 120.346 9.091 1 U 3.240000E+11 0.000000E+00 e 0 0 0 0 1766 0.160 118.769 8.922 1 U 3.460000E+11 0.000000E+00 e 0 0 0 0 1767 1.081 127.832 7.897 1 U 3.650000E+11 0.000000E+00 e 0 0 0 0 1768 0.161 127.815 7.896 1 U 3.360000E+11 0.000000E+00 e 0 0 0 0 1769 8.582 121.843 8.312 1 U 3.860000E+11 0.000000E+00 e 0 0 0 0 1770 5.251 121.825 8.578 1 U 2.840000E+11 0.000000E+00 e 0 0 0 0 1771 4.715 121.791 8.576 1 U 8.730000E+11 0.000000E+00 e 0 0 0 0 1772 4.752 121.803 8.576 1 U 5.180000E+11 0.000000E+00 e 0 0 0 0 1773 3.668 121.797 8.575 1 U 3.020000E+11 0.000000E+00 e 0 0 0 0 1774 3.223 121.761 8.574 1 U 3.450000E+11 0.000000E+00 e 0 0 0 0 1775 2.322 121.870 9.555 1 U 2.550000E+11 0.000000E+00 e 0 0 0 0 1776 2.139 121.870 9.552 1 U 2.200000E+11 0.000000E+00 e 0 0 0 0 1777 1.965 121.864 9.556 1 U 2.860000E+11 0.000000E+00 e 0 0 0 0 1778 3.222 121.862 9.554 1 U 2.770000E+11 0.000000E+00 e 0 0 0 0 1779 5.404 131.079 8.934 1 U 3.520000E+11 0.000000E+00 e 0 0 0 0 1780 4.817 131.087 8.935 1 U 3.500000E+11 0.000000E+00 e 0 0 0 0 1781 4.794 131.087 8.936 1 U 4.050000E+11 0.000000E+00 e 0 0 0 0 1782 3.642 131.100 8.939 1 U 3.990000E+11 0.000000E+00 e 0 0 0 0 1783 1.568 131.099 8.936 1 U 3.870000E+11 0.000000E+00 e 0 0 0 0 1784 1.199 131.100 8.935 1 U 7.100000E+11 0.000000E+00 e 0 0 0 0 1785 0.931 131.094 8.935 1 U 4.200000E+11 0.000000E+00 e 0 0 0 0 1786 0.364 131.092 8.936 1 U 3.280000E+11 0.000000E+00 e 0 0 0 0 1787 1.572 117.852 8.631 1 U 2.800000E+11 0.000000E+00 e 0 0 0 0 1788 2.864 118.902 8.638 1 U 3.710000E+11 0.000000E+00 e 0 0 0 0 1789 8.173 118.913 8.636 1 U 3.080000E+11 0.000000E+00 e 0 0 0 0 1790 0.606 110.492 8.172 1 U 4.770000E+11 0.000000E+00 e 0 0 0 0 1791 8.645 118.783 7.010 1 U 3.620000E+11 0.000000E+00 e 0 0 0 0 1792 8.326 118.776 7.011 1 U 5.860000E+11 0.000000E+00 e 0 0 0 0 1793 1.499 118.764 7.011 1 U 4.540000E+11 0.000000E+00 e 0 0 0 0 1794 5.698 118.770 7.011 1 U 3.280000E+11 0.000000E+00 e 0 0 0 0 1795 4.215 122.911 8.320 1 U 1.280000E+12 0.000000E+00 e 0 0 0 0 1796 1.677 123.013 8.330 1 U 6.290000E+11 0.000000E+00 e 0 0 0 0 1797 1.946 124.158 8.918 1 U 3.330000E+11 0.000000E+00 e 0 0 0 0 1798 4.996 118.355 8.501 1 U 5.330000E+11 0.000000E+00 e 0 0 0 0 1799 0.560 118.364 8.507 1 U 2.940000E+11 0.000000E+00 e 0 0 0 0 1800 0.845 118.284 8.428 1 U 2.960000E+11 0.000000E+00 e 0 0 0 0 1801 0.754 118.281 8.430 1 U 3.050000E+11 0.000000E+00 e 0 0 0 0 1802 6.929 121.955 8.949 1 U 3.990000E+11 0.000000E+00 e 0 0 0 0 1803 2.934 121.962 8.951 1 U 2.720000E+11 0.000000E+00 e 0 0 0 0 1804 2.748 121.956 8.951 1 U 3.190000E+11 0.000000E+00 e 0 0 0 0 1805 8.929 125.104 7.982 1 U 3.070000E+11 0.000000E+00 e 0 0 0 0 1806 8.680 125.108 7.982 1 U 2.790000E+11 0.000000E+00 e 0 0 0 0 1807 3.659 125.096 7.982 1 U 5.170000E+11 0.000000E+00 e 0 0 0 0 1808 2.174 125.101 7.981 1 U 4.170000E+11 0.000000E+00 e 0 0 0 0 1809 2.145 125.093 7.983 1 U 4.150000E+11 0.000000E+00 e 0 0 0 0 1810 8.501 114.253 7.639 1 U 3.790000E+11 0.000000E+00 e 0 0 0 0 1811 1.726 114.244 7.635 1 U 3.960000E+11 0.000000E+00 e 0 0 0 0 1812 0.291 120.001 8.500 1 U 2.470000E+11 0.000000E+00 e 0 0 0 0 1813 8.505 122.852 8.193 1 U 3.120000E+11 0.000000E+00 e 0 0 0 0 1814 1.321 122.854 8.195 1 U 3.270000E+11 0.000000E+00 e 0 0 0 0 1815 1.255 122.839 8.189 1 U 3.540000E+11 0.000000E+00 e 0 0 0 0 1816 7.083 108.722 6.952 1 U 2.850000E+11 0.000000E+00 e 0 0 0 0 1817 6.880 117.923 9.902 1 U 3.090000E+11 0.000000E+00 e 0 0 0 0 1818 6.788 117.918 9.905 1 U 2.730000E+11 0.000000E+00 e 0 0 0 0 1819 7.124 125.328 8.900 1 U 2.710000E+11 0.000000E+00 e 0 0 0 0 1820 4.682 117.169 7.555 1 U 4.190000E+11 0.000000E+00 e 0 0 0 0 1821 1.717 118.677 8.714 1 U 3.100000E+11 0.000000E+00 e 0 0 0 0 1822 0.976 118.689 8.713 1 U 3.160000E+11 0.000000E+00 e 0 0 0 0 1823 8.571 117.682 8.570 1 U 2.530000E+12 0.000000E+00 e 0 0 0 0 1824 4.781 117.686 8.570 1 U 7.490000E+11 0.000000E+00 e 0 0 0 0 1825 3.810 117.678 8.570 1 U 9.880000E+11 0.000000E+00 e 0 0 0 0 1826 2.103 117.664 8.571 1 U 4.890000E+11 0.000000E+00 e 0 0 0 0 1827 1.789 117.678 8.570 1 U 4.930000E+11 0.000000E+00 e 0 0 0 0 1828 4.994 117.289 8.617 1 U 4.300000E+11 0.000000E+00 e 0 0 0 0 1829 6.586 117.205 8.522 1 U 3.160000E+11 0.000000E+00 e 0 0 0 0 1830 2.827 117.190 8.519 1 U 4.690000E+11 0.000000E+00 e 0 0 0 0 1831 2.595 117.193 8.518 1 U 4.930000E+11 0.000000E+00 e 0 0 0 0 1832 1.709 117.193 8.519 1 U 5.580000E+11 0.000000E+00 e 0 0 0 0 1833 1.508 117.192 8.519 1 U 9.520000E+11 0.000000E+00 e 0 0 0 0 1834 0.685 117.205 8.518 1 U 8.150000E+11 0.000000E+00 e 0 0 0 0 1835 0.234 117.196 8.517 1 U 4.760000E+11 0.000000E+00 e 0 0 0 0 1836 7.505 122.470 8.118 1 U 3.750000E+11 0.000000E+00 e 0 0 0 0 1837 1.930 113.936 10.296 1 U 6.350000E+11 0.000000E+00 e 0 0 0 0 1838 4.279 113.935 10.296 1 U 7.160000E+11 0.000000E+00 e 0 0 0 0 1839 4.133 113.935 10.296 1 U 1.190000E+12 0.000000E+00 e 0 0 0 0 1840 3.706 113.931 10.296 1 U 7.690000E+11 0.000000E+00 e 0 0 0 0 1841 8.278 113.941 10.297 1 U 5.640000E+11 0.000000E+00 e 0 0 0 0 1842 4.284 119.709 8.274 1 U 4.420000E+11 0.000000E+00 e 0 0 0 0 1843 4.130 119.691 8.275 1 U 4.590000E+11 0.000000E+00 e 0 0 0 0 1844 3.706 119.696 8.274 1 U 4.900000E+11 0.000000E+00 e 0 0 0 0 1845 3.623 119.693 8.276 1 U 4.810000E+11 0.000000E+00 e 0 0 0 0 1846 2.362 119.700 8.276 1 U 7.320000E+11 0.000000E+00 e 0 0 0 0 1847 0.611 120.838 9.240 1 U 3.430000E+11 0.000000E+00 e 0 0 0 0 1848 0.608 117.997 8.301 1 U 5.500000E+11 0.000000E+00 e 0 0 0 0 1849 0.219 117.997 8.298 1 U 3.460000E+11 0.000000E+00 e 0 0 0 0 1850 2.621 113.779 9.291 1 U 4.020000E+11 0.000000E+00 e 0 0 0 0 1851 0.833 113.785 9.289 1 U 4.270000E+11 0.000000E+00 e 0 0 0 0 1852 0.598 113.768 9.287 1 U 4.110000E+11 0.000000E+00 e 0 0 0 0 1853 2.110 120.638 8.963 1 U 3.630000E+11 0.000000E+00 e 0 0 0 0 1854 0.425 126.309 8.797 1 U 3.970000E+11 0.000000E+00 e 0 0 0 0 1855 7.748 129.205 8.832 1 U 4.430000E+11 0.000000E+00 e 0 0 0 0 1856 5.246 129.192 8.831 1 U 7.180000E+11 0.000000E+00 e 0 0 0 0 1857 4.304 129.185 8.831 1 U 8.210000E+11 0.000000E+00 e 0 0 0 0 1858 3.936 129.188 8.831 1 U 1.920000E+12 0.000000E+00 e 0 0 0 0 1859 2.146 129.182 8.831 1 U 3.560000E+11 0.000000E+00 e 0 0 0 0 1860 1.976 129.186 8.832 1 U 4.330000E+11 0.000000E+00 e 0 0 0 0 1861 1.899 129.194 8.831 1 U 8.330000E+11 0.000000E+00 e 0 0 0 0 1862 1.772 129.195 8.831 1 U 7.650000E+11 0.000000E+00 e 0 0 0 0 1863 1.531 129.192 8.832 1 U 7.880000E+11 0.000000E+00 e 0 0 0 0 1864 1.086 129.191 8.832 1 U 5.440000E+11 0.000000E+00 e 0 0 0 0 1865 0.821 129.199 8.833 1 U 7.240000E+11 0.000000E+00 e 0 0 0 0 1866 0.425 129.182 8.831 1 U 6.550000E+11 0.000000E+00 e 0 0 0 0 1867 4.303 123.915 8.896 1 U 2.690000E+12 0.000000E+00 e 0 0 0 0 1868 3.613 123.916 8.896 1 U 2.830000E+12 0.000000E+00 e 0 0 0 0 1869 2.153 123.909 8.896 1 U 6.390000E+11 0.000000E+00 e 0 0 0 0 1870 1.988 123.921 8.896 1 U 9.070000E+11 0.000000E+00 e 0 0 0 0 1871 1.897 123.919 8.895 1 U 5.890000E+11 0.000000E+00 e 0 0 0 0 1872 1.754 123.919 8.896 1 U 9.730000E+11 0.000000E+00 e 0 0 0 0 1873 1.536 123.926 8.895 1 U 8.820000E+11 0.000000E+00 e 0 0 0 0 1874 1.486 123.942 8.898 1 U 6.970000E+11 0.000000E+00 e 0 0 0 0 1875 8.836 120.054 7.748 1 U 7.060000E+11 0.000000E+00 e 0 0 0 0 1876 0.556 124.192 8.344 1 U 5.310000E+11 0.000000E+00 e 0 0 0 0 1877 0.526 121.508 9.134 1 U 3.090000E+11 0.000000E+00 e 0 0 0 0 1878 0.600 122.245 8.213 1 U 4.070000E+11 0.000000E+00 e 0 0 0 0 1879 0.508 122.233 8.211 1 U 4.480000E+11 0.000000E+00 e 0 0 0 0 1880 6.807 126.657 8.743 1 U 5.570000E+11 0.000000E+00 e 0 0 0 0 1881 1.706 117.953 7.711 1 U 7.640000E+11 0.000000E+00 e 0 0 0 0 1882 2.784 113.228 7.699 1 U 3.650000E+11 0.000000E+00 e 0 0 0 0 1883 2.652 113.216 7.698 1 U 3.000000E+11 0.000000E+00 e 0 0 0 0 1884 5.056 127.497 8.070 1 U 3.160000E+11 0.000000E+00 e 0 0 0 0 1885 2.658 127.500 8.071 1 U 2.200000E+11 0.000000E+00 e 0 0 0 0 1886 2.933 127.519 8.068 1 U 2.340000E+11 0.000000E+00 e 0 0 0 0 1887 1.299 118.589 6.658 1 U 3.190000E+11 0.000000E+00 e 0 0 0 0 1888 1.938 111.963 7.858 1 U 3.010000E+11 0.000000E+00 e 0 0 0 0 1889 6.695 111.711 6.886 1 U 2.190000E+11 0.000000E+00 e 0 0 0 0 1890 0.975 124.003 8.560 1 U 4.590000E+11 0.000000E+00 e 0 0 0 0 1891 4.676 110.437 6.486 1 U 1.920000E+11 0.000000E+00 e 0 0 0 0 1892 4.459 110.422 6.485 1 U 1.880000E+11 0.000000E+00 e 0 0 0 0 1893 7.274 121.730 7.983 1 U 4.270000E+11 0.000000E+00 e 0 0 0 0 1894 7.108 121.739 7.983 1 U 3.570000E+11 0.000000E+00 e 0 0 0 0 1895 2.144 117.490 8.548 1 U 1.530000E+12 0.000000E+00 e 0 0 0 0 1896 1.747 117.490 8.550 1 U 9.930000E+11 0.000000E+00 e 0 0 0 0 1897 2.719 117.471 8.549 1 U 2.430000E+11 0.000000E+00 e 0 0 0 0 1898 2.284 117.491 8.553 1 U 3.010000E+11 0.000000E+00 e 0 0 0 0 1899 6.468 107.268 6.469 1 U 5.750000E+11 0.000000E+00 e 0 0 0 0 1900 6.403 107.256 6.473 1 U 5.910000E+11 0.000000E+00 e 0 0 0 0 1901 0.660 107.300 6.410 1 U 1.990000E+11 0.000000E+00 e 0 0 0 0 1902 0.696 107.389 6.475 1 U 1.180000E+11 0.000000E+00 e 0 0 0 0 1903 0.659 107.258 6.467 1 U 1.470000E+11 0.000000E+00 e 0 0 0 0 1904 6.474 117.479 8.551 1 U 2.280000E+11 0.000000E+00 e 0 0 0 0 1905 6.398 117.486 8.547 1 U 1.690000E+11 0.000000E+00 e 0 0 0 0 1906 2.644 125.182 9.149 1 U 1.760000E+11 0.000000E+00 e 0 0 0 0 1907 2.935 125.180 9.156 1 U 2.320000E+11 0.000000E+00 e 0 0 0 0 1908 1.498 125.186 9.154 1 U 2.340000E+11 0.000000E+00 e 0 0 0 0 1909 3.892 123.583 8.017 1 U 2.990000E+11 0.000000E+00 e 0 0 0 0 1910 4.176 123.586 8.017 1 U 3.980000E+11 0.000000E+00 e 0 0 0 0 1911 6.822 113.287 6.823 1 U 1.110000E+13 0.000000E+00 e 0 0 0 0 1912 7.514 113.285 6.823 1 U 7.160000E+12 0.000000E+00 e 0 0 0 0 1913 2.414 113.254 6.823 1 U 6.100000E+11 0.000000E+00 e 0 0 0 0 1914 2.288 113.263 6.823 1 U 5.670000E+11 0.000000E+00 e 0 0 0 0 1915 0.294 113.278 6.824 1 U 3.940000E+11 0.000000E+00 e 0 0 0 0 1916 2.413 113.254 7.515 1 U 7.370000E+11 0.000000E+00 e 0 0 0 0 1917 2.287 113.255 7.515 1 U 7.300000E+11 0.000000E+00 e 0 0 0 0 1918 0.301 113.261 7.516 1 U 3.190000E+11 0.000000E+00 e 0 0 0 0 1919 6.822 113.272 7.515 1 U 7.200000E+12 0.000000E+00 e 0 0 0 0 1920 7.514 113.279 7.514 1 U 6.740000E+12 0.000000E+00 e 0 0 0 0 1921 7.749 113.127 6.774 1 U 4.030000E+12 0.000000E+00 e 0 0 0 0 1922 6.774 113.129 7.751 1 U 1.670000E+12 0.000000E+00 e 0 0 0 0 1923 2.375 113.126 6.774 1 U 5.480000E+11 0.000000E+00 e 0 0 0 0 1924 4.427 110.903 6.640 1 U 1.300000E+11 0.000000E+00 e 0 0 0 0 1925 4.410 110.841 7.224 1 U 1.450000E+11 0.000000E+00 e 0 0 0 0 1926 4.883 117.574 9.363 1 U 3.440000E+11 0.000000E+00 e 0 0 0 0 1927 5.938 123.267 8.443 1 U 2.740000E+11 0.000000E+00 e 0 0 0 0 1928 4.774 123.258 8.443 1 U 4.040000E+11 0.000000E+00 e 0 0 0 0 1929 4.586 123.259 8.443 1 U 3.340000E+11 0.000000E+00 e 0 0 0 0 1930 2.090 123.262 8.446 1 U 2.970000E+11 0.000000E+00 e 0 0 0 0 1931 2.122 123.247 8.446 1 U 2.620000E+11 0.000000E+00 e 0 0 0 0 1932 4.356 127.023 8.358 1 U 2.940000E+11 0.000000E+00 e 0 0 0 0 1933 4.628 125.839 8.610 1 U 3.480000E+11 0.000000E+00 e 0 0 0 0 1934 4.757 122.587 8.736 1 U 3.230000E+11 0.000000E+00 e 0 0 0 0 1935 4.829 117.471 8.550 1 U 6.790000E+11 0.000000E+00 e 0 0 0 0 1936 4.820 117.039 9.920 1 U 2.720000E+11 0.000000E+00 e 0 0 0 0 1937 4.870 119.700 8.275 1 U 3.410000E+11 0.000000E+00 e 0 0 0 0 1938 0.880 107.055 7.590 1 U 2.830000E+11 0.000000E+00 e 0 0 0 0 1939 -0.461 110.462 8.175 1 U 4.090000E+11 0.000000E+00 e 0 0 0 0 1940 -0.154 110.468 8.167 1 U 3.470000E+11 0.000000E+00 e 0 0 0 0 1941 0.938 118.906 9.054 1 U 3.070000E+11 0.000000E+00 e 0 0 0 0 1942 0.338 119.144 7.793 1 U 4.830000E+11 0.000000E+00 e 0 0 0 0 1943 0.158 119.127 7.790 1 U 4.320000E+11 0.000000E+00 e 0 0 0 0 1944 0.588 119.144 7.793 1 U 3.950000E+11 0.000000E+00 e 0 0 0 0 1945 0.737 119.132 7.791 1 U 4.520000E+11 0.000000E+00 e 0 0 0 0 1946 3.064 126.474 8.337 1 U 3.840000E+11 0.000000E+00 e 0 0 0 0 1947 3.064 126.420 8.304 1 U 1.400000E+11 0.000000E+00 e 0 0 0 0 1948 2.301 126.458 8.332 1 U 3.820000E+11 0.000000E+00 e 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . 'not observed' 16129.032 Hz . . . 4.693 . . 31122 1 2 . . N 15 N . aliased 2632.761 Hz . . . 118.5 . . 31122 1 3 . . H 1 H . aliased 10991.252 Hz . . . 4.693 . . 31122 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 31122 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '3D HCH NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 H #INAME 2 C #INAME 3 HC #SPECTRUM C13NOESY H C HC #TOLERANCE 0.0250 0.2000 0.0150 1 4.911 59.703 4.655 1 U -1.050000E+12 0.000000E+00 e 0 0 0 0 2 4.539 56.159 5.355 1 U 9.420000E+11 0.000000E+00 e 0 0 0 0 3 6.629 56.136 5.356 1 U 2.100000E+12 0.000000E+00 e 0 0 0 0 4 5.354 53.878 4.539 1 U 6.810000E+11 0.000000E+00 e 0 0 0 0 5 4.790 58.498 5.973 1 U -3.610000E+11 0.000000E+00 e 0 0 0 0 6 5.970 55.331 4.794 1 U 4.610000E+11 0.000000E+00 e 0 0 0 0 7 4.631 60.418 4.345 1 U -3.430000E+11 0.000000E+00 e 0 0 0 0 8 4.347 59.631 4.631 1 U -2.970000E+11 0.000000E+00 e 0 0 0 0 9 0.001 59.618 4.630 1 U 1.370000E+12 0.000000E+00 e 0 0 0 0 10 -0.215 59.620 4.629 1 U 6.600000E+11 0.000000E+00 e 0 0 0 0 11 0.423 59.786 4.624 1 U 9.940000E+11 0.000000E+00 e 0 0 0 0 12 5.036 56.728 5.933 1 U 4.500000E+11 0.000000E+00 e 0 0 0 0 13 5.203 53.989 5.583 1 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1.651 1 U 3.460000E+11 0.000000E+00 e 0 0 0 0 1793 1.893 42.090 2.993 1 U 1.170000E+12 0.000000E+00 e 0 0 0 0 1794 1.893 42.061 2.919 1 U 1.220000E+12 0.000000E+00 e 0 0 0 0 1795 1.743 42.074 2.993 1 U 4.130000E+12 0.000000E+00 e 0 0 0 0 1796 1.743 42.074 2.920 1 U 4.240000E+12 0.000000E+00 e 0 0 0 0 1797 1.425 42.080 2.993 1 U 2.780000E+12 0.000000E+00 e 0 0 0 0 1798 1.423 42.064 2.921 1 U 2.860000E+12 0.000000E+00 e 0 0 0 0 1799 1.302 42.078 2.993 1 U 2.490000E+12 0.000000E+00 e 0 0 0 0 1800 0.850 42.080 2.992 1 U 2.930000E+12 0.000000E+00 e 0 0 0 0 1801 0.850 42.072 2.919 1 U 3.270000E+12 0.000000E+00 e 0 0 0 0 1802 0.629 42.089 2.992 1 U 1.050000E+12 0.000000E+00 e 0 0 0 0 1803 0.630 42.078 2.918 1 U 9.840000E+11 0.000000E+00 e 0 0 0 0 1804 1.477 41.973 2.820 1 U 1.060000E+13 0.000000E+00 e 0 0 0 0 1805 1.334 41.853 2.821 1 U 8.220000E+12 0.000000E+00 e 0 0 0 0 1806 1.234 41.971 2.820 1 U 5.260000E+12 0.000000E+00 e 0 0 0 0 1807 0.768 41.965 2.820 1 U 2.010000E+12 0.000000E+00 e 0 0 0 0 1808 0.586 41.918 2.814 1 U 2.550000E+12 0.000000E+00 e 0 0 0 0 1809 2.820 41.927 2.821 1 U 1.570000E+14 0.000000E+00 e 0 0 0 0 1810 4.564 41.981 2.820 1 U 1.240000E+12 0.000000E+00 e 0 0 0 0 1811 4.461 41.974 2.820 1 U 1.320000E+12 0.000000E+00 e 0 0 0 0 1812 4.182 41.985 2.821 1 U 1.190000E+12 0.000000E+00 e 0 0 0 0 1813 3.829 41.977 2.820 1 U 8.250000E+11 0.000000E+00 e 0 0 0 0 1814 3.769 42.079 2.992 1 U 7.650000E+11 0.000000E+00 e 0 0 0 0 1815 3.768 42.081 2.917 1 U 7.540000E+11 0.000000E+00 e 0 0 0 0 1816 3.700 42.056 2.991 1 U 8.010000E+11 0.000000E+00 e 0 0 0 0 1817 3.699 42.050 2.921 1 U 7.690000E+11 0.000000E+00 e 0 0 0 0 1818 4.819 42.087 2.920 1 U 8.430000E+11 0.000000E+00 e 0 0 0 0 1819 4.818 42.067 2.993 1 U 7.520000E+11 0.000000E+00 e 0 0 0 0 1820 4.266 24.826 1.379 1 U -2.890000E+12 0.000000E+00 e 0 0 0 0 1821 4.198 24.789 1.387 1 U -1.270000E+12 0.000000E+00 e 0 0 0 0 1822 2.903 24.814 1.381 1 U -4.120000E+12 0.000000E+00 e 0 0 0 0 1823 1.789 24.803 1.381 1 U -4.220000E+12 0.000000E+00 e 0 0 0 0 1824 1.650 24.793 1.383 1 U -4.980000E+12 0.000000E+00 e 0 0 0 0 1825 1.591 24.813 1.381 1 U -8.480000E+12 0.000000E+00 e 0 0 0 0 1826 1.382 24.797 1.382 1 U -2.970000E+13 0.000000E+00 e 0 0 0 0 1827 1.314 24.813 1.380 1 U -2.490000E+13 0.000000E+00 e 0 0 0 0 1828 4.640 24.784 1.327 1 U -4.290000E+12 0.000000E+00 e 0 0 0 0 1829 4.269 24.789 1.321 1 U -3.360000E+12 0.000000E+00 e 0 0 0 0 1830 4.122 24.643 1.320 1 U -1.100000E+12 0.000000E+00 e 0 0 0 0 1831 4.031 24.695 1.342 1 U -1.570000E+12 0.000000E+00 e 0 0 0 0 1832 3.678 24.771 1.324 1 U -9.230000E+11 0.000000E+00 e 0 0 0 0 1833 3.451 24.775 1.326 1 U -1.400000E+12 0.000000E+00 e 0 0 0 0 1834 2.895 24.755 1.323 1 U -5.410000E+12 0.000000E+00 e 0 0 0 0 1835 2.822 24.920 1.334 1 U -3.770000E+12 0.000000E+00 e 0 0 0 0 1836 2.346 24.815 1.324 1 U -5.590000E+11 0.000000E+00 e 0 0 0 0 1837 2.158 24.761 1.330 1 U -5.710000E+11 0.000000E+00 e 0 0 0 0 1838 1.972 24.794 1.324 1 U -1.260000E+12 0.000000E+00 e 0 0 0 0 1839 1.723 24.762 1.325 1 U -6.270000E+12 0.000000E+00 e 0 0 0 0 1840 1.683 24.700 1.338 1 U -6.900000E+12 0.000000E+00 e 0 0 0 0 1841 1.591 24.791 1.321 1 U -1.510000E+13 0.000000E+00 e 0 0 0 0 1842 1.507 24.809 1.327 1 U -5.510000E+12 0.000000E+00 e 0 0 0 0 1843 1.327 24.758 1.328 1 U -7.080000E+13 0.000000E+00 e 0 0 0 0 1844 0.815 24.663 1.344 1 U -1.960000E+12 0.000000E+00 e 0 0 0 0 1845 4.185 41.911 1.607 1 U 2.420000E+12 0.000000E+00 e 0 0 0 0 1846 1.606 41.890 1.606 1 U 8.910000E+12 0.000000E+00 e 0 0 0 0 1847 1.480 41.905 1.607 1 U 5.460000E+12 0.000000E+00 e 0 0 0 0 1848 0.819 41.907 1.607 1 U 4.060000E+12 0.000000E+00 e 0 0 0 0 1849 0.773 41.877 1.607 1 U 3.150000E+12 0.000000E+00 e 0 0 0 0 1850 4.181 41.915 1.482 1 U 2.610000E+12 0.000000E+00 e 0 0 0 0 1851 4.147 41.810 1.483 1 U 2.550000E+12 0.000000E+00 e 0 0 0 0 1852 1.607 41.905 1.480 1 U 7.420000E+12 0.000000E+00 e 0 0 0 0 1853 1.480 41.811 1.483 1 U 1.610000E+13 0.000000E+00 e 0 0 0 0 1854 1.368 41.780 1.483 1 U 6.900000E+12 0.000000E+00 e 0 0 0 0 1855 0.813 41.850 1.483 1 U 5.750000E+12 0.000000E+00 e 0 0 0 0 1856 0.772 41.909 1.481 1 U 3.190000E+12 0.000000E+00 e 0 0 0 0 1857 0.603 41.871 1.479 1 U 6.450000E+11 0.000000E+00 e 0 0 0 0 1858 7.294 25.241 0.821 1 U -1.690000E+12 0.000000E+00 e 0 0 0 0 1859 7.233 25.227 0.822 1 U -1.400000E+12 0.000000E+00 e 0 0 0 0 1860 6.780 25.256 0.819 1 U -5.060000E+11 0.000000E+00 e 0 0 0 0 1861 6.679 25.225 0.822 1 U -1.020000E+12 0.000000E+00 e 0 0 0 0 1862 4.573 25.238 0.822 1 U -1.020000E+12 0.000000E+00 e 0 0 0 0 1863 4.354 25.242 0.822 1 U -2.480000E+12 0.000000E+00 e 0 0 0 0 1864 4.265 25.246 0.821 1 U -7.650000E+11 0.000000E+00 e 0 0 0 0 1865 4.185 25.229 0.822 1 U -4.280000E+12 0.000000E+00 e 0 0 0 0 1866 3.829 25.246 0.822 1 U -6.060000E+11 0.000000E+00 e 0 0 0 0 1867 3.749 25.218 0.823 1 U -6.370000E+11 0.000000E+00 e 0 0 0 0 1868 3.705 25.278 0.822 1 U -4.110000E+11 0.000000E+00 e 0 0 0 0 1869 3.169 25.235 0.822 1 U -8.960000E+11 0.000000E+00 e 0 0 0 0 1870 2.952 25.245 0.822 1 U -7.140000E+11 0.000000E+00 e 0 0 0 0 1871 2.888 25.240 0.824 1 U -4.040000E+11 0.000000E+00 e 0 0 0 0 1872 2.794 25.241 0.821 1 U -1.050000E+12 0.000000E+00 e 0 0 0 0 1873 2.671 25.201 0.824 1 U -8.300000E+11 0.000000E+00 e 0 0 0 0 1874 2.080 25.215 0.822 1 U -7.110000E+11 0.000000E+00 e 0 0 0 0 1875 1.606 25.231 0.822 1 U -1.720000E+13 0.000000E+00 e 0 0 0 0 1876 1.480 25.228 0.822 1 U -7.290000E+12 0.000000E+00 e 0 0 0 0 1877 1.232 25.232 0.822 1 U -1.850000E+12 0.000000E+00 e 0 0 0 0 1878 1.109 25.212 0.823 1 U -1.130000E+12 0.000000E+00 e 0 0 0 0 1879 0.820 25.231 0.822 1 U -1.730000E+14 0.000000E+00 e 0 0 0 0 1880 0.772 25.238 0.822 1 U -2.180000E+13 0.000000E+00 e 0 0 0 0 1881 0.600 25.236 0.822 1 U -3.570000E+12 0.000000E+00 e 0 0 0 0 1882 2.814 57.000 4.165 1 U 3.440000E+11 0.000000E+00 e 0 0 0 0 1883 2.209 57.000 4.161 1 U 5.160000E+12 0.000000E+00 e 0 0 0 0 1884 7.143 29.692 2.034 1 U 1.670000E+12 0.000000E+00 e 0 0 0 0 1885 7.142 29.715 2.054 1 U 1.310000E+12 0.000000E+00 e 0 0 0 0 1886 3.696 29.708 2.031 1 U 2.060000E+12 0.000000E+00 e 0 0 0 0 1887 3.702 29.715 2.060 1 U 1.530000E+12 0.000000E+00 e 0 0 0 0 1888 4.290 63.452 3.726 1 U -5.730000E+12 0.000000E+00 e 0 0 0 0 1889 3.731 63.453 3.727 1 U -2.110000E+13 0.000000E+00 e 0 0 0 0 1890 3.522 63.339 3.710 1 U -4.760000E+12 0.000000E+00 e 0 0 0 0 1891 1.474 63.368 3.713 1 U -5.360000E+11 0.000000E+00 e 0 0 0 0 1892 1.231 63.414 3.719 1 U -1.000000E+12 0.000000E+00 e 0 0 0 0 1893 0.834 63.433 3.718 1 U -6.910000E+11 0.000000E+00 e 0 0 0 0 1894 0.768 63.412 3.718 1 U -7.360000E+11 0.000000E+00 e 0 0 0 0 1895 0.595 63.439 3.722 1 U -1.440000E+12 0.000000E+00 e 0 0 0 0 1896 4.463 34.124 1.710 1 U 9.120000E+11 0.000000E+00 e 0 0 0 0 1897 2.820 34.127 1.711 1 U 5.230000E+11 0.000000E+00 e 0 0 0 0 1898 1.709 34.109 1.709 1 U 1.790000E+12 0.000000E+00 e 0 0 0 0 1899 1.633 34.129 1.710 1 U 2.050000E+12 0.000000E+00 e 0 0 0 0 1900 1.476 34.137 1.708 1 U 1.060000E+12 0.000000E+00 e 0 0 0 0 1901 1.345 34.125 1.711 1 U 1.020000E+12 0.000000E+00 e 0 0 0 0 1902 1.234 34.133 1.709 1 U 9.630000E+11 0.000000E+00 e 0 0 0 0 1903 0.764 34.117 1.711 1 U 5.190000E+11 0.000000E+00 e 0 0 0 0 1904 0.601 34.130 1.706 1 U 5.810000E+11 0.000000E+00 e 0 0 0 0 1905 4.460 34.124 1.634 1 U 1.040000E+12 0.000000E+00 e 0 0 0 0 1906 2.819 34.125 1.635 1 U 6.890000E+11 0.000000E+00 e 0 0 0 0 1907 1.708 34.122 1.634 1 U 2.090000E+12 0.000000E+00 e 0 0 0 0 1908 1.632 34.116 1.633 1 U 2.330000E+12 0.000000E+00 e 0 0 0 0 1909 1.475 34.127 1.634 1 U 1.220000E+12 0.000000E+00 e 0 0 0 0 1910 1.345 34.117 1.634 1 U 1.200000E+12 0.000000E+00 e 0 0 0 0 1911 1.235 34.129 1.632 1 U 1.130000E+12 0.000000E+00 e 0 0 0 0 1912 0.763 34.112 1.634 1 U 5.540000E+11 0.000000E+00 e 0 0 0 0 1913 0.601 34.128 1.634 1 U 7.260000E+11 0.000000E+00 e 0 0 0 0 1914 -0.144 29.000 1.501 1 U 0.000000E+00 0.000000E+00 e 0 0 0 0 1915 -0.445 29.000 1.502 1 U 0.000000E+00 0.000000E+00 e 0 0 0 0 1916 4.638 29.000 1.511 1 U 0.000000E+00 0.000000E+00 e 0 0 0 0 1917 3.677 29.000 1.510 1 U 0.000000E+00 0.000000E+00 e 0 0 0 0 1918 3.450 29.000 1.511 1 U 0.000000E+00 0.000000E+00 e 0 0 0 0 1919 1.965 29.000 1.511 1 U 0.000000E+00 0.000000E+00 e 0 0 0 0 1920 1.727 29.000 1.507 1 U 0.000000E+00 0.000000E+00 e 0 0 0 0 1921 1.587 29.000 1.512 1 U 0.000000E+00 0.000000E+00 e 0 0 0 0 1922 1.507 29.000 1.510 1 U 0.000000E+00 0.000000E+00 e 0 0 0 0 1923 1.331 29.000 1.508 1 U 0.000000E+00 0.000000E+00 e 0 0 0 0 1924 0.893 29.000 1.504 1 U 0.000000E+00 0.000000E+00 e 0 0 0 0 1925 0.779 29.000 1.499 1 U 0.000000E+00 0.000000E+00 e 0 0 0 0 1926 -0.147 29.109 1.552 1 U -8.280000E+11 0.000000E+00 e 0 0 0 0 1927 -0.454 29.109 1.558 1 U -6.230000E+11 0.000000E+00 e 0 0 0 0 1928 4.463 25.072 1.344 1 U -1.260000E+12 0.000000E+00 e 0 0 0 0 1929 1.234 25.078 1.344 1 U -4.660000E+12 0.000000E+00 e 0 0 0 0 1930 0.196 25.079 1.242 1 U 7.100000E+11 0.000000E+00 e 0 0 0 0 1931 4.462 25.008 1.236 1 U -1.320000E+12 0.000000E+00 e 0 0 0 0 1932 2.818 25.071 1.236 1 U -2.230000E+12 0.000000E+00 e 0 0 0 0 1933 1.707 25.065 1.237 1 U -1.330000E+12 0.000000E+00 e 0 0 0 0 1934 1.343 25.074 1.236 1 U -4.710000E+12 0.000000E+00 e 0 0 0 0 1935 0.370 45.076 1.276 1 U -1.430000E+12 0.000000E+00 e 0 0 0 0 1936 0.198 45.083 1.279 1 U -2.160000E+12 0.000000E+00 e 0 0 0 0 1937 4.547 45.080 1.279 1 U 1.330000E+12 0.000000E+00 e 0 0 0 0 1938 2.361 45.127 1.281 1 U 5.130000E+11 0.000000E+00 e 0 0 0 0 1939 1.282 45.100 1.286 1 U 5.510000E+12 0.000000E+00 e 0 0 0 0 1940 1.238 45.071 1.277 1 U 4.870000E+12 0.000000E+00 e 0 0 0 0 1941 0.766 45.066 1.275 1 U 7.160000E+11 0.000000E+00 e 0 0 0 0 1942 0.368 45.070 1.233 1 U -1.270000E+12 0.000000E+00 e 0 0 0 0 1943 0.191 45.065 1.232 1 U -1.540000E+12 0.000000E+00 e 0 0 0 0 1944 4.547 45.068 1.231 1 U 9.980000E+11 0.000000E+00 e 0 0 0 0 1945 2.369 45.088 1.231 1 U 3.800000E+11 0.000000E+00 e 0 0 0 0 1946 1.236 45.066 1.232 1 U 4.100000E+12 0.000000E+00 e 0 0 0 0 1947 0.769 45.069 1.231 1 U 6.150000E+11 0.000000E+00 e 0 0 0 0 1948 0.192 25.178 0.192 1 U 9.690000E+13 0.000000E+00 e 0 0 0 0 1949 8.183 25.180 0.192 1 U -6.900000E+11 0.000000E+00 e 0 0 0 0 1950 7.090 25.175 0.193 1 U -1.630000E+12 0.000000E+00 e 0 0 0 0 1951 5.063 25.175 0.193 1 U -4.940000E+11 0.000000E+00 e 0 0 0 0 1952 4.700 25.185 0.193 1 U -9.750000E+11 0.000000E+00 e 0 0 0 0 1953 4.548 25.173 0.194 1 U -1.740000E+12 0.000000E+00 e 0 0 0 0 1954 3.794 25.160 0.196 1 U -5.800000E+11 0.000000E+00 e 0 0 0 0 1955 3.740 25.159 0.194 1 U -4.070000E+11 0.000000E+00 e 0 0 0 0 1956 2.723 25.173 0.193 1 U -1.940000E+12 0.000000E+00 e 0 0 0 0 1957 2.613 25.163 0.194 1 U -1.260000E+12 0.000000E+00 e 0 0 0 0 1958 2.454 25.166 0.193 1 U -5.940000E+11 0.000000E+00 e 0 0 0 0 1959 2.363 25.172 0.194 1 U -1.620000E+12 0.000000E+00 e 0 0 0 0 1960 2.024 25.178 0.194 1 U -1.450000E+12 0.000000E+00 e 0 0 0 0 1961 1.906 25.161 0.195 1 U -7.900000E+11 0.000000E+00 e 0 0 0 0 1962 1.596 25.162 0.194 1 U -1.440000E+12 0.000000E+00 e 0 0 0 0 1963 1.508 25.176 0.193 1 U -1.850000E+12 0.000000E+00 e 0 0 0 0 1964 1.236 25.174 0.193 1 U -8.750000E+12 0.000000E+00 e 0 0 0 0 1965 1.098 25.178 0.193 1 U -1.850000E+12 0.000000E+00 e 0 0 0 0 1966 0.846 25.167 0.194 1 U -6.720000E+11 0.000000E+00 e 0 0 0 0 1967 0.766 25.167 0.195 1 U -5.500000E+12 0.000000E+00 e 0 0 0 0 1968 0.717 25.177 0.193 1 U -6.000000E+12 0.000000E+00 e 0 0 0 0 1969 0.506 25.167 0.194 1 U -2.230000E+12 0.000000E+00 e 0 0 0 0 1970 0.368 24.563 0.369 1 U 1.190000E+14 0.000000E+00 e 0 0 0 0 1971 0.191 24.565 0.369 1 U 8.680000E+12 0.000000E+00 e 0 0 0 0 1972 8.182 24.561 0.367 1 U -7.460000E+11 0.000000E+00 e 0 0 0 0 1973 7.089 24.518 0.371 1 U -9.930000E+11 0.000000E+00 e 0 0 0 0 1974 5.301 24.553 0.370 1 U -2.870000E+11 0.000000E+00 e 0 0 0 0 1975 5.081 24.531 0.370 1 U -4.290000E+11 0.000000E+00 e 0 0 0 0 1976 4.732 24.445 0.379 1 U -5.320000E+11 0.000000E+00 e 0 0 0 0 1977 4.707 24.561 0.368 1 U -1.090000E+12 0.000000E+00 e 0 0 0 0 1978 4.547 24.555 0.370 1 U -3.490000E+12 0.000000E+00 e 0 0 0 0 1979 4.466 24.560 0.369 1 U -5.510000E+11 0.000000E+00 e 0 0 0 0 1980 4.377 24.538 0.369 1 U -5.370000E+11 0.000000E+00 e 0 0 0 0 1981 3.799 24.532 0.372 1 U -4.510000E+11 0.000000E+00 e 0 0 0 0 1982 3.758 24.542 0.372 1 U -4.180000E+11 0.000000E+00 e 0 0 0 0 1983 2.728 24.532 0.370 1 U -1.150000E+12 0.000000E+00 e 0 0 0 0 1984 2.606 24.548 0.369 1 U -7.530000E+11 0.000000E+00 e 0 0 0 0 1985 2.452 24.517 0.370 1 U -1.410000E+12 0.000000E+00 e 0 0 0 0 1986 2.369 24.522 0.370 1 U -1.780000E+12 0.000000E+00 e 0 0 0 0 1987 2.026 24.562 0.369 1 U -1.960000E+12 0.000000E+00 e 0 0 0 0 1988 1.926 24.434 0.380 1 U -1.380000E+12 0.000000E+00 e 0 0 0 0 1989 1.599 24.559 0.369 1 U -2.020000E+12 0.000000E+00 e 0 0 0 0 1990 1.585 24.436 0.380 1 U -1.340000E+12 0.000000E+00 e 0 0 0 0 1991 1.509 24.572 0.368 1 U -9.910000E+11 0.000000E+00 e 0 0 0 0 1992 1.235 24.563 0.369 1 U -7.900000E+12 0.000000E+00 e 0 0 0 0 1993 1.101 24.564 0.369 1 U -1.020000E+12 0.000000E+00 e 0 0 0 0 1994 0.848 24.571 0.368 1 U -8.260000E+11 0.000000E+00 e 0 0 0 0 1995 0.765 24.518 0.372 1 U -5.240000E+12 0.000000E+00 e 0 0 0 0 1996 0.716 24.564 0.369 1 U -4.820000E+12 0.000000E+00 e 0 0 0 0 1997 0.614 24.527 0.371 1 U -7.410000E+11 0.000000E+00 e 0 0 0 0 1998 0.510 24.581 0.368 1 U -1.070000E+12 0.000000E+00 e 0 0 0 0 1999 0.191 55.808 5.084 1 U -1.240000E+12 0.000000E+00 e 0 0 0 0 2000 6.408 55.792 5.085 1 U 3.870000E+11 0.000000E+00 e 0 0 0 0 2001 5.084 55.807 5.085 1 U 3.600000E+12 0.000000E+00 e 0 0 0 0 2002 3.822 55.808 5.083 1 U 3.900000E+11 0.000000E+00 e 0 0 0 0 2003 2.360 55.788 5.086 1 U 4.060000E+11 0.000000E+00 e 0 0 0 0 2004 1.344 55.827 5.086 1 U 3.170000E+11 0.000000E+00 e 0 0 0 0 2005 1.228 55.806 5.086 1 U 6.160000E+11 0.000000E+00 e 0 0 0 0 2006 0.938 55.805 5.084 1 U 1.280000E+12 0.000000E+00 e 0 0 0 0 2007 0.847 55.786 5.085 1 U 6.210000E+11 0.000000E+00 e 0 0 0 0 2008 0.763 55.817 5.084 1 U 6.420000E+11 0.000000E+00 e 0 0 0 0 2009 0.599 55.800 5.084 1 U 1.670000E+12 0.000000E+00 e 0 0 0 0 2010 0.510 55.814 5.087 1 U 5.530000E+11 0.000000E+00 e 0 0 0 0 2011 0.195 67.156 2.611 1 U 3.880000E+11 0.000000E+00 e 0 0 0 0 2012 5.085 67.183 2.607 1 U -7.120000E+11 0.000000E+00 e 0 0 0 0 2013 2.609 39.015 2.608 1 U 5.700000E+12 0.000000E+00 e 0 0 0 0 2014 0.938 67.191 2.606 1 U -3.090000E+11 0.000000E+00 e 0 0 0 0 2015 0.762 67.171 2.597 1 U -3.390000E+11 0.000000E+00 e 0 0 0 0 2016 0.602 67.151 2.608 1 U -6.200000E+11 0.000000E+00 e 0 0 0 0 2017 0.939 39.162 2.942 1 U -4.090000E+11 0.000000E+00 e 0 0 0 0 2018 0.760 39.173 2.957 1 U -4.150000E+11 0.000000E+00 e 0 0 0 0 2019 0.600 39.155 2.955 1 U -8.700000E+11 0.000000E+00 e 0 0 0 0 2020 5.083 67.162 2.954 1 U -9.060000E+11 0.000000E+00 e 0 0 0 0 2021 6.978 58.621 4.588 1 U -5.620000E+11 0.000000E+00 e 0 0 0 0 2022 2.984 58.601 4.597 1 U -4.270000E+11 0.000000E+00 e 0 0 0 0 2023 2.627 58.603 4.600 1 U -5.160000E+11 0.000000E+00 e 0 0 0 0 2024 6.726 58.559 4.605 1 U -4.270000E+11 0.000000E+00 e 0 0 0 0 2025 6.634 58.563 4.607 1 U -4.950000E+11 0.000000E+00 e 0 0 0 0 2026 4.605 58.564 4.606 1 U -8.220000E+12 0.000000E+00 e 0 0 0 0 2027 2.720 58.557 4.605 1 U -3.430000E+11 0.000000E+00 e 0 0 0 0 2028 1.330 58.560 4.607 1 U -2.370000E+12 0.000000E+00 e 0 0 0 0 2029 0.882 58.538 4.607 1 U -3.440000E+11 0.000000E+00 e 0 0 0 0 2030 0.529 58.705 4.571 1 U -1.980000E+12 0.000000E+00 e 0 0 0 0 2031 0.507 58.559 4.607 1 U -5.860000E+12 0.000000E+00 e 0 0 0 0 2032 4.769 35.994 1.321 1 U 5.470000E+11 0.000000E+00 e 0 0 0 0 2033 4.606 36.029 1.330 1 U 1.860000E+12 0.000000E+00 e 0 0 0 0 2034 2.720 35.985 1.334 1 U 4.660000E+11 0.000000E+00 e 0 0 0 0 2035 2.608 35.992 1.322 1 U 6.100000E+11 0.000000E+00 e 0 0 0 0 2036 2.361 35.989 1.332 1 U 4.230000E+11 0.000000E+00 e 0 0 0 0 2037 1.331 36.029 1.332 1 U 3.870000E+12 0.000000E+00 e 0 0 0 0 2038 0.506 36.034 1.331 1 U 6.360000E+12 0.000000E+00 e 0 0 0 0 2039 0.379 21.479 0.504 1 U 6.010000E+11 0.000000E+00 e 0 0 0 0 2040 0.194 21.466 0.505 1 U 1.330000E+12 0.000000E+00 e 0 0 0 0 2041 5.071 21.470 0.506 1 U -5.730000E+11 0.000000E+00 e 0 0 0 0 2042 3.796 21.484 0.505 1 U -4.580000E+11 0.000000E+00 e 0 0 0 0 2043 2.986 21.466 0.505 1 U -1.200000E+12 0.000000E+00 e 0 0 0 0 2044 2.360 21.472 0.505 1 U -2.780000E+12 0.000000E+00 e 0 0 0 0 2045 2.242 21.476 0.506 1 U -1.100000E+12 0.000000E+00 e 0 0 0 0 2046 1.956 21.472 0.506 1 U -1.680000E+12 0.000000E+00 e 0 0 0 0 2047 1.820 21.473 0.505 1 U -1.980000E+12 0.000000E+00 e 0 0 0 0 2048 1.494 21.470 0.505 1 U -2.080000E+12 0.000000E+00 e 0 0 0 0 2049 1.102 21.474 0.506 1 U -1.540000E+12 0.000000E+00 e 0 0 0 0 2050 0.505 21.471 0.505 1 U -6.660000E+13 0.000000E+00 e 0 0 0 0 2051 0.451 19.972 0.508 1 U 1.850000E+12 0.000000E+00 e 0 0 0 0 2052 0.380 19.969 0.511 1 U 5.530000E+11 0.000000E+00 e 0 0 0 0 2053 0.191 19.975 0.509 1 U 9.340000E+11 0.000000E+00 e 0 0 0 0 2054 5.080 19.988 0.510 1 U -5.470000E+11 0.000000E+00 e 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4.790000E+11 0.000000E+00 e 0 0 0 0 6756 2.774 24.890 0.860 1 U -1.380000E+12 0.000000E+00 e 0 0 0 0 6757 2.676 24.890 0.855 1 U -1.580000E+12 0.000000E+00 e 0 0 0 0 6758 4.323 31.310 1.805 1 U 1.980000E+12 0.000000E+00 e 0 0 0 0 6759 2.179 36.417 2.015 1 U 9.060000E+12 0.000000E+00 e 0 0 0 0 6760 2.013 36.412 2.014 1 U 1.000000E+13 0.000000E+00 e 0 0 0 0 6761 1.923 36.420 2.014 1 U 2.490000E+12 0.000000E+00 e 0 0 0 0 6762 1.802 36.414 2.013 1 U 2.380000E+12 0.000000E+00 e 0 0 0 0 6763 1.564 36.409 2.015 1 U 1.290000E+12 0.000000E+00 e 0 0 0 0 6764 4.327 36.414 2.013 1 U 2.460000E+12 0.000000E+00 e 0 0 0 0 6765 6.598 36.418 2.015 1 U 6.250000E+11 0.000000E+00 e 0 0 0 0 6766 2.026 27.695 1.501 1 U -2.800000E+12 0.000000E+00 e 0 0 0 0 6767 2.026 27.700 1.568 1 U -2.750000E+12 0.000000E+00 e 0 0 0 0 6768 1.754 27.696 1.568 1 U -2.380000E+12 0.000000E+00 e 0 0 0 0 6769 1.755 27.691 1.501 1 U -2.400000E+12 0.000000E+00 e 0 0 0 0 6770 1.563 27.651 1.565 1 U -4.120000E+12 0.000000E+00 e 0 0 0 0 6771 1.565 27.723 1.501 1 U -6.560000E+12 0.000000E+00 e 0 0 0 0 6772 1.500 27.728 1.567 1 U -6.090000E+12 0.000000E+00 e 0 0 0 0 6773 1.500 27.728 1.501 1 U -6.540000E+12 0.000000E+00 e 0 0 0 0 6774 3.170 27.724 1.501 1 U -2.830000E+12 0.000000E+00 e 0 0 0 0 6775 3.091 27.727 1.568 1 U -2.490000E+12 0.000000E+00 e 0 0 0 0 6776 3.091 27.721 1.501 1 U -2.670000E+12 0.000000E+00 e 0 0 0 0 6777 3.174 27.681 1.573 1 U -3.550000E+12 0.000000E+00 e 0 0 0 0 6778 3.632 27.712 1.567 1 U -2.220000E+12 0.000000E+00 e 0 0 0 0 6779 3.633 27.707 1.501 1 U -2.410000E+12 0.000000E+00 e 0 0 0 0 6780 0.707 40.148 2.655 1 U 4.750000E+11 0.000000E+00 e 0 0 0 0 6781 0.252 40.233 2.652 1 U -3.710000E+11 0.000000E+00 e 0 0 0 0 6782 0.256 40.167 2.748 1 U -3.040000E+11 0.000000E+00 e 0 0 0 0 6783 6.772 46.050 1.534 1 U 4.690000E+11 0.000000E+00 e 0 0 0 0 6784 6.596 46.043 1.734 1 U 3.850000E+11 0.000000E+00 e 0 0 0 0 6785 6.604 46.002 1.533 1 U 2.350000E+11 0.000000E+00 e 0 0 0 0 6786 5.276 56.766 5.278 1 U 1.540000E+12 0.000000E+00 e 0 0 0 0 6787 2.623 56.779 5.280 1 U 4.810000E+11 0.000000E+00 e 0 0 0 0 6788 2.851 56.766 5.275 1 U 3.770000E+11 0.000000E+00 e 0 0 0 0 6789 6.774 54.632 4.919 1 U 4.940000E+11 0.000000E+00 e 0 0 0 0 6790 6.771 36.270 1.581 1 U 3.810000E+11 0.000000E+00 e 0 0 0 0 6791 1.712 41.915 2.818 1 U 2.650000E+12 0.000000E+00 e 0 0 0 0 6792 1.592 41.962 2.818 1 U 3.440000E+12 0.000000E+00 e 0 0 0 0 6793 1.742 55.690 5.024 1 U 3.830000E+11 0.000000E+00 e 0 0 0 0 6794 1.475 55.672 5.027 1 U 3.880000E+11 0.000000E+00 e 0 0 0 0 6795 1.745 43.415 1.473 1 U 4.700000E+11 0.000000E+00 e 0 0 0 0 6796 1.574 43.427 1.478 1 U 4.200000E+11 0.000000E+00 e 0 0 0 0 6797 1.480 43.446 1.480 1 U 4.840000E+11 0.000000E+00 e 0 0 0 0 6798 1.482 43.413 1.738 1 U 4.860000E+11 0.000000E+00 e 0 0 0 0 6799 0.871 60.757 4.515 1 U -4.080000E+12 0.000000E+00 e 0 0 0 0 6800 5.228 44.484 1.106 1 U 3.540000E+11 0.000000E+00 e 0 0 0 0 6801 5.229 44.483 1.795 1 U 4.280000E+11 0.000000E+00 e 0 0 0 0 6802 0.626 23.948 0.938 1 U -9.790000E+12 0.000000E+00 e 0 0 0 0 6803 0.532 23.947 0.937 1 U -3.540000E+12 0.000000E+00 e 0 0 0 0 6804 0.936 23.946 0.937 1 U -3.210000E+13 0.000000E+00 e 0 0 0 0 6805 1.104 23.947 0.938 1 U -2.490000E+12 0.000000E+00 e 0 0 0 0 6806 1.622 23.945 0.937 1 U -2.680000E+12 0.000000E+00 e 0 0 0 0 6807 1.790 23.943 0.937 1 U -2.390000E+12 0.000000E+00 e 0 0 0 0 6808 2.469 23.952 0.938 1 U -1.210000E+12 0.000000E+00 e 0 0 0 0 6809 2.376 23.944 0.937 1 U -1.800000E+12 0.000000E+00 e 0 0 0 0 6810 2.891 23.941 0.937 1 U -1.220000E+12 0.000000E+00 e 0 0 0 0 6811 3.816 23.947 0.938 1 U -1.080000E+12 0.000000E+00 e 0 0 0 0 6812 3.639 23.942 0.938 1 U -1.030000E+12 0.000000E+00 e 0 0 0 0 6813 4.227 23.949 0.937 1 U -1.260000E+12 0.000000E+00 e 0 0 0 0 6814 5.230 23.946 0.938 1 U -2.850000E+12 0.000000E+00 e 0 0 0 0 6815 4.899 23.932 0.938 1 U -1.390000E+12 0.000000E+00 e 0 0 0 0 6816 4.836 23.954 0.937 1 U -7.340000E+11 0.000000E+00 e 0 0 0 0 6817 5.709 23.965 0.938 1 U -8.070000E+11 0.000000E+00 e 0 0 0 0 6818 6.987 23.946 0.937 1 U -2.160000E+12 0.000000E+00 e 0 0 0 0 6819 6.787 23.950 0.937 1 U -2.310000E+12 0.000000E+00 e 0 0 0 0 6820 6.816 23.950 0.937 1 U -2.530000E+12 0.000000E+00 e 0 0 0 0 6821 0.243 23.944 0.938 1 U 8.940000E+11 0.000000E+00 e 0 0 0 0 6822 6.750 25.579 0.625 1 U -1.110000E+12 0.000000E+00 e 0 0 0 0 6823 4.824 25.575 0.623 1 U -3.810000E+11 0.000000E+00 e 0 0 0 0 6824 2.204 32.753 1.024 1 U 8.940000E+11 0.000000E+00 e 0 0 0 0 6825 2.164 32.768 1.415 1 U 8.470000E+11 0.000000E+00 e 0 0 0 0 6826 1.883 32.761 1.027 1 U 4.360000E+11 0.000000E+00 e 0 0 0 0 6827 2.166 32.768 1.023 1 U 5.410000E+11 0.000000E+00 e 0 0 0 0 6828 2.919 32.767 1.025 1 U 6.540000E+11 0.000000E+00 e 0 0 0 0 6829 2.031 59.729 3.695 1 U -2.730000E+12 0.000000E+00 e 0 0 0 0 6830 0.866 35.626 1.963 1 U 1.720000E+12 0.000000E+00 e 0 0 0 0 6831 2.171 55.260 4.399 1 U 4.550000E+12 0.000000E+00 e 0 0 0 0 6832 4.596 45.493 4.175 1 U 3.670000E+11 0.000000E+00 e 0 0 0 0 6833 6.856 40.290 2.672 1 U 4.040000E+11 0.000000E+00 e 0 0 0 0 6834 7.140 31.181 1.788 1 U 3.750000E+11 0.000000E+00 e 0 0 0 0 6835 1.784 52.474 4.862 1 U 2.900000E+11 0.000000E+00 e 0 0 0 0 6836 4.871 31.185 1.785 1 U 3.650000E+11 0.000000E+00 e 0 0 0 0 6837 7.140 32.674 2.058 1 U 4.130000E+11 0.000000E+00 e 0 0 0 0 6838 2.719 31.190 2.720 1 U 3.620000E+11 0.000000E+00 e 0 0 0 0 6839 2.720 31.212 1.777 1 U 4.120000E+11 0.000000E+00 e 0 0 0 0 6840 2.711 52.515 4.865 1 U 2.940000E+11 0.000000E+00 e 0 0 0 0 6841 7.141 32.604 2.174 1 U 2.840000E+11 0.000000E+00 e 0 0 0 0 6842 1.600 32.826 1.786 1 U 4.440000E+12 0.000000E+00 e 0 0 0 0 6843 4.183 57.000 1.470 1 U -8.440000E+11 0.000000E+00 e 0 0 0 0 6844 5.301 52.786 4.874 1 U 3.110000E+11 0.000000E+00 e 0 0 0 0 6845 4.869 59.221 5.304 1 U -2.740000E+11 0.000000E+00 e 0 0 0 0 6846 7.138 18.972 0.878 1 U -9.770000E+11 0.000000E+00 e 0 0 0 0 6847 6.998 46.875 0.876 1 U -4.660000E+11 0.000000E+00 e 0 0 0 0 6848 6.414 14.644 0.861 1 U -1.260000E+12 0.000000E+00 e 0 0 0 0 6849 0.930 14.634 0.862 1 U -5.560000E+12 0.000000E+00 e 0 0 0 0 6850 7.132 17.467 1.890 1 U -2.440000E+12 0.000000E+00 e 0 0 0 0 6851 7.148 21.992 0.996 1 U -3.890000E+12 0.000000E+00 e 0 0 0 0 6852 0.880 46.758 7.177 1 U -9.460000E+11 0.000000E+00 e 0 0 0 0 6853 0.571 46.795 7.179 1 U -3.750000E+11 0.000000E+00 e 0 0 0 0 6854 1.001 46.769 7.173 1 U -5.190000E+11 0.000000E+00 e 0 0 0 0 6855 0.691 129.027 6.987 1 U -5.440000E+11 0.000000E+00 e 0 0 0 0 6856 6.609 42.483 2.858 1 U 3.730000E+11 0.000000E+00 e 0 0 0 0 6857 2.041 130.697 7.142 1 U -8.030000E+11 0.000000E+00 e 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . 'not observed' 16129.032 Hz . . . 4.693 . . 31122 2 2 . . N 15 N . aliased 2632.761 Hz . . . 118.5 . . 31122 2 3 . . H 1 H . aliased 10991.252 Hz . . . 4.693 . . 31122 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 31122 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D NNH NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 N2 #INAME 2 N1 #INAME 3 H1 #SPECTRUM N15NOESYN15HSQC N2 N1 H1 #TOLERANCE 0.2000 0.2000 0.0150 1 122.250 117.465 8.290 1 U 2.650000E+11 0.000000E+00 e 0 0 0 0 2 118.693 117.465 8.290 1 U 1.850000E+11 0.000000E+00 e 0 0 0 0 3 126.445 122.773 8.612 1 U 2.230000E+11 0.000000E+00 e 0 0 0 0 4 121.157 123.781 8.294 1 U 1.520000E+12 0.000000E+00 e 0 0 0 0 5 123.780 121.153 8.175 1 U 1.540000E+12 0.000000E+00 e 0 0 0 0 6 124.693 120.433 8.121 1 U 2.650000E+12 0.000000E+00 e 0 0 0 0 7 122.082 124.691 8.410 1 U 1.590000E+12 0.000000E+00 e 0 0 0 0 8 120.433 124.689 8.410 1 U 2.160000E+12 0.000000E+00 e 0 0 0 0 9 124.685 122.078 8.283 1 U 1.350000E+12 0.000000E+00 e 0 0 0 0 10 118.739 122.070 8.281 1 U 1.210000E+12 0.000000E+00 e 0 0 0 0 11 122.084 118.741 8.372 1 U 1.090000E+12 0.000000E+00 e 0 0 0 0 12 118.075 118.759 8.374 1 U 1.410000E+12 0.000000E+00 e 0 0 0 0 13 125.277 118.063 7.802 1 U 1.860000E+11 0.000000E+00 e 0 0 0 0 14 122.051 118.080 7.802 1 U 2.000000E+11 0.000000E+00 e 0 0 0 0 15 118.769 118.080 7.804 1 U 1.480000E+12 0.000000E+00 e 0 0 0 0 16 120.436 122.398 8.996 1 U 2.000000E+11 0.000000E+00 e 0 0 0 0 17 122.433 120.422 7.927 1 U 2.080000E+11 0.000000E+00 e 0 0 0 0 18 125.190 120.414 7.931 1 U 1.740000E+11 0.000000E+00 e 0 0 0 0 19 125.043 120.440 7.934 1 U 1.700000E+11 0.000000E+00 e 0 0 0 0 20 122.250 113.718 8.811 1 U 4.930000E+11 0.000000E+00 e 0 0 0 0 21 122.771 118.683 8.836 1 U 2.550000E+11 0.000000E+00 e 0 0 0 0 22 127.334 118.686 8.832 1 U 1.850000E+11 0.000000E+00 e 0 0 0 0 23 126.405 127.352 8.625 1 U 1.940000E+11 0.000000E+00 e 0 0 0 0 24 122.783 126.483 8.330 1 U 1.790000E+11 0.000000E+00 e 0 0 0 0 25 127.455 126.454 8.335 1 U 1.680000E+11 0.000000E+00 e 0 0 0 0 26 122.276 120.893 8.099 1 U 2.210000E+11 0.000000E+00 e 0 0 0 0 27 122.239 120.457 8.434 1 U 5.230000E+11 0.000000E+00 e 0 0 0 0 28 114.168 125.784 8.705 1 U 3.800000E+11 0.000000E+00 e 0 0 0 0 29 113.721 122.240 7.999 1 U 6.880000E+11 0.000000E+00 e 0 0 0 0 30 113.077 126.751 8.958 1 U 7.210000E+11 0.000000E+00 e 0 0 0 0 31 113.782 113.083 8.406 1 U 9.430000E+11 0.000000E+00 e 0 0 0 0 32 126.758 113.080 8.406 1 U 6.920000E+11 0.000000E+00 e 0 0 0 0 33 113.082 113.784 6.882 1 U 9.600000E+11 0.000000E+00 e 0 0 0 0 34 117.506 117.233 8.520 1 U 2.100000E+11 0.000000E+00 e 0 0 0 0 35 117.259 117.551 9.364 1 U 1.610000E+11 0.000000E+00 e 0 0 0 0 36 130.082 120.474 8.433 1 U 1.650000E+11 0.000000E+00 e 0 0 0 0 37 113.673 120.433 8.432 1 U 1.910000E+11 0.000000E+00 e 0 0 0 0 38 121.421 122.252 8.434 1 U 9.290000E+11 0.000000E+00 e 0 0 0 0 39 120.461 122.238 8.435 1 U 5.020000E+11 0.000000E+00 e 0 0 0 0 40 122.248 121.414 8.264 1 U 1.050000E+12 0.000000E+00 e 0 0 0 0 41 121.748 121.415 8.264 1 U 2.020000E+12 0.000000E+00 e 0 0 0 0 42 121.430 121.753 8.517 1 U 1.780000E+12 0.000000E+00 e 0 0 0 0 43 118.284 121.756 8.518 1 U 2.560000E+12 0.000000E+00 e 0 0 0 0 44 121.714 118.286 8.431 1 U 4.730000E+12 0.000000E+00 e 0 0 0 0 45 113.895 118.283 8.431 1 U 8.980000E+11 0.000000E+00 e 0 0 0 0 46 119.836 121.663 8.021 1 U 2.330000E+12 0.000000E+00 e 0 0 0 0 47 118.287 121.661 8.021 1 U 2.630000E+12 0.000000E+00 e 0 0 0 0 48 121.669 119.836 8.242 1 U 2.690000E+12 0.000000E+00 e 0 0 0 0 49 115.691 119.839 8.242 1 U 2.030000E+12 0.000000E+00 e 0 0 0 0 50 121.733 115.694 8.062 1 U 1.410000E+12 0.000000E+00 e 0 0 0 0 51 119.835 115.691 8.062 1 U 2.050000E+12 0.000000E+00 e 0 0 0 0 52 119.836 121.740 8.320 1 U 1.810000E+12 0.000000E+00 e 0 0 0 0 53 115.693 121.739 8.320 1 U 1.370000E+12 0.000000E+00 e 0 0 0 0 54 121.743 119.838 7.909 1 U 1.790000E+12 0.000000E+00 e 0 0 0 0 55 119.247 119.838 7.909 1 U 1.440000E+12 0.000000E+00 e 0 0 0 0 56 119.842 119.244 8.043 1 U 1.420000E+12 0.000000E+00 e 0 0 0 0 57 108.914 119.261 8.043 1 U 1.290000E+12 0.000000E+00 e 0 0 0 0 58 119.257 108.920 7.898 1 U 1.120000E+12 0.000000E+00 e 0 0 0 0 59 120.168 108.919 7.898 1 U 1.190000E+12 0.000000E+00 e 0 0 0 0 60 122.279 120.162 7.865 1 U 9.560000E+11 0.000000E+00 e 0 0 0 0 61 108.923 120.169 7.865 1 U 1.320000E+12 0.000000E+00 e 0 0 0 0 62 120.553 122.271 8.172 1 U 6.890000E+11 0.000000E+00 e 0 0 0 0 63 120.161 122.274 8.173 1 U 6.820000E+11 0.000000E+00 e 0 0 0 0 64 122.288 120.560 8.313 1 U 6.190000E+11 0.000000E+00 e 0 0 0 0 65 115.706 120.557 8.315 1 U 7.720000E+11 0.000000E+00 e 0 0 0 0 66 120.959 115.692 8.072 1 U 3.620000E+11 0.000000E+00 e 0 0 0 0 67 120.563 115.729 8.069 1 U 6.300000E+11 0.000000E+00 e 0 0 0 0 68 119.140 120.972 8.170 1 U 3.600000E+11 0.000000E+00 e 0 0 0 0 69 115.716 120.981 8.175 1 U 2.860000E+11 0.000000E+00 e 0 0 0 0 70 120.974 119.145 7.795 1 U 4.790000E+11 0.000000E+00 e 0 0 0 0 71 107.717 124.657 7.292 1 U 2.680000E+11 0.000000E+00 e 0 0 0 0 72 121.772 124.642 7.299 1 U 1.190000E+11 0.000000E+00 e 0 0 0 0 73 113.238 118.922 9.058 1 U 4.180000E+11 0.000000E+00 e 0 0 0 0 74 112.630 113.230 8.462 1 U 5.700000E+11 0.000000E+00 e 0 0 0 0 75 118.908 113.240 8.462 1 U 5.620000E+11 0.000000E+00 e 0 0 0 0 76 120.818 113.230 8.456 1 U 2.260000E+11 0.000000E+00 e 0 0 0 0 77 120.818 112.644 7.367 1 U 6.690000E+11 0.000000E+00 e 0 0 0 0 78 113.237 112.632 7.366 1 U 5.080000E+11 0.000000E+00 e 0 0 0 0 79 112.644 120.810 7.806 1 U 7.690000E+11 0.000000E+00 e 0 0 0 0 80 119.153 108.019 8.485 1 U 5.600000E+11 0.000000E+00 e 0 0 0 0 81 122.079 119.157 7.829 1 U 1.160000E+12 0.000000E+00 e 0 0 0 0 82 108.020 119.147 7.829 1 U 8.360000E+11 0.000000E+00 e 0 0 0 0 83 119.152 122.077 8.093 1 U 1.040000E+12 0.000000E+00 e 0 0 0 0 84 119.823 120.262 7.989 1 U 5.990000E+11 0.000000E+00 e 0 0 0 0 85 121.261 120.028 7.967 1 U 1.040000E+11 0.000000E+00 e 0 0 0 0 86 121.044 119.789 7.943 1 U 9.240000E+11 0.000000E+00 e 0 0 0 0 87 120.302 119.791 7.942 1 U 8.010000E+11 0.000000E+00 e 0 0 0 0 88 120.385 121.050 8.416 1 U 8.770000E+11 0.000000E+00 e 0 0 0 0 89 119.795 121.044 8.417 1 U 7.870000E+11 0.000000E+00 e 0 0 0 0 90 114.310 120.661 8.146 1 U 1.490000E+12 0.000000E+00 e 0 0 0 0 91 120.660 114.311 8.088 1 U 1.550000E+12 0.000000E+00 e 0 0 0 0 92 122.540 114.309 8.088 1 U 1.490000E+12 0.000000E+00 e 0 0 0 0 93 116.048 122.548 8.269 1 U 1.220000E+12 0.000000E+00 e 0 0 0 0 94 114.318 122.546 8.269 1 U 1.660000E+12 0.000000E+00 e 0 0 0 0 95 122.550 116.057 8.168 1 U 2.010000E+12 0.000000E+00 e 0 0 0 0 96 122.119 116.062 8.168 1 U 2.690000E+12 0.000000E+00 e 0 0 0 0 97 119.209 122.125 8.331 1 U 2.460000E+12 0.000000E+00 e 0 0 0 0 98 116.063 122.118 8.331 1 U 2.450000E+12 0.000000E+00 e 0 0 0 0 99 123.169 119.186 8.144 1 U 1.560000E+12 0.000000E+00 e 0 0 0 0 100 122.107 119.189 8.146 1 U 1.850000E+12 0.000000E+00 e 0 0 0 0 101 120.149 123.168 8.326 1 U 1.780000E+12 0.000000E+00 e 0 0 0 0 102 119.199 123.168 8.326 1 U 1.830000E+12 0.000000E+00 e 0 0 0 0 103 123.167 120.147 8.216 1 U 1.930000E+12 0.000000E+00 e 0 0 0 0 104 117.851 120.147 8.216 1 U 2.160000E+12 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0.000000E+00 e 0 0 0 0 300 129.858 129.860 8.840 1 U 1.060000E+12 0.000000E+00 e 0 0 0 0 301 114.914 114.920 9.527 1 U 8.220000E+11 0.000000E+00 e 0 0 0 0 302 110.883 110.885 8.689 1 U 6.440000E+11 0.000000E+00 e 0 0 0 0 303 126.952 126.960 10.364 1 U 1.730000E+11 0.000000E+00 e 0 0 0 0 304 120.335 120.336 9.090 1 U 1.110000E+12 0.000000E+00 e 0 0 0 0 305 118.724 118.714 8.922 1 U 1.010000E+12 0.000000E+00 e 0 0 0 0 306 127.099 127.106 8.943 1 U 6.700000E+11 0.000000E+00 e 0 0 0 0 307 127.823 127.820 7.898 1 U 2.260000E+12 0.000000E+00 e 0 0 0 0 308 117.397 117.395 7.937 1 U 7.130000E+12 0.000000E+00 e 0 0 0 0 309 121.782 121.780 8.573 1 U 1.330000E+12 0.000000E+00 e 0 0 0 0 310 121.898 121.878 9.554 1 U 9.490000E+11 0.000000E+00 e 0 0 0 0 311 131.082 131.086 8.936 1 U 3.690000E+11 0.000000E+00 e 0 0 0 0 312 117.824 117.828 8.630 1 U 5.870000E+11 0.000000E+00 e 0 0 0 0 313 120.229 120.229 8.695 1 U 9.500000E+11 0.000000E+00 e 0 0 0 0 314 123.439 120.234 8.691 1 U 2.970000E+11 0.000000E+00 e 0 0 0 0 315 123.437 123.438 7.963 1 U 1.300000E+12 0.000000E+00 e 0 0 0 0 316 118.870 118.888 8.643 1 U 2.430000E+11 0.000000E+00 e 0 0 0 0 317 110.465 110.455 8.171 1 U 7.020000E+11 0.000000E+00 e 0 0 0 0 318 118.783 118.780 7.011 1 U 6.080000E+12 0.000000E+00 e 0 0 0 0 319 122.870 122.915 8.325 1 U 7.830000E+11 0.000000E+00 e 0 0 0 0 320 122.960 118.779 7.007 1 U 2.070000E+11 0.000000E+00 e 0 0 0 0 321 124.176 124.175 8.916 1 U 1.700000E+12 0.000000E+00 e 0 0 0 0 322 118.368 118.372 8.511 1 U 2.400000E+12 0.000000E+00 e 0 0 0 0 323 112.814 118.339 8.500 1 U 2.670000E+11 0.000000E+00 e 0 0 0 0 324 121.944 121.949 8.950 1 U 1.610000E+12 0.000000E+00 e 0 0 0 0 325 125.697 125.696 8.912 1 U 9.120000E+11 0.000000E+00 e 0 0 0 0 326 125.102 125.099 7.983 1 U 3.050000E+12 0.000000E+00 e 0 0 0 0 327 122.862 122.859 8.678 1 U 1.050000E+12 0.000000E+00 e 0 0 0 0 328 125.144 122.868 8.685 1 U 1.670000E+11 0.000000E+00 e 0 0 0 0 329 120.542 120.542 8.615 1 U 1.210000E+12 0.000000E+00 e 0 0 0 0 330 114.254 120.549 8.616 1 U 6.460000E+11 0.000000E+00 e 0 0 0 0 331 114.163 114.163 7.647 1 U 2.040000E+13 0.000000E+00 e 0 0 0 0 332 122.841 122.835 8.191 1 U 1.100000E+12 0.000000E+00 e 0 0 0 0 333 122.841 117.796 7.762 1 U 3.390000E+11 0.000000E+00 e 0 0 0 0 334 117.811 117.811 7.763 1 U 1.810000E+12 0.000000E+00 e 0 0 0 0 335 123.577 123.578 8.018 1 U 8.430000E+11 0.000000E+00 e 0 0 0 0 336 121.663 121.670 7.085 1 U 7.040000E+11 0.000000E+00 e 0 0 0 0 337 117.909 117.912 9.905 1 U 6.450000E+11 0.000000E+00 e 0 0 0 0 338 125.317 125.317 8.900 1 U 8.730000E+11 0.000000E+00 e 0 0 0 0 339 117.471 117.471 8.550 1 U 4.350000E+12 0.000000E+00 e 0 0 0 0 340 125.303 117.485 8.550 1 U 2.750000E+11 0.000000E+00 e 0 0 0 0 341 124.959 117.537 8.549 1 U 1.440000E+11 0.000000E+00 e 0 0 0 0 342 125.024 125.024 8.464 1 U 6.840000E+12 0.000000E+00 e 0 0 0 0 343 117.471 124.907 8.472 1 U 1.960000E+11 0.000000E+00 e 0 0 0 0 344 113.219 113.219 8.666 1 U 1.070000E+12 0.000000E+00 e 0 0 0 0 345 120.208 120.208 8.033 1 U 5.350000E+12 0.000000E+00 e 0 0 0 0 346 122.180 122.178 8.552 1 U 1.290000E+12 0.000000E+00 e 0 0 0 0 347 114.508 114.509 8.055 1 U 2.780000E+12 0.000000E+00 e 0 0 0 0 348 117.156 117.157 7.558 1 U 2.760000E+12 0.000000E+00 e 0 0 0 0 349 118.673 118.670 8.713 1 U 6.100000E+11 0.000000E+00 e 0 0 0 0 350 125.193 125.166 9.153 1 U 4.490000E+11 0.000000E+00 e 0 0 0 0 351 117.915 125.170 9.157 1 U 1.390000E+11 0.000000E+00 e 0 0 0 0 352 120.489 120.484 8.865 1 U 5.130000E+11 0.000000E+00 e 0 0 0 0 353 120.016 120.005 7.443 1 U 2.440000E+11 0.000000E+00 e 0 0 0 0 354 115.875 115.884 7.649 1 U 6.910000E+11 0.000000E+00 e 0 0 0 0 355 121.435 121.434 7.505 1 U 1.030000E+12 0.000000E+00 e 0 0 0 0 356 122.455 122.456 8.115 1 U 4.240000E+12 0.000000E+00 e 0 0 0 0 357 119.693 113.931 10.298 1 U 3.080000E+11 0.000000E+00 e 0 0 0 0 358 113.924 113.931 10.295 1 U 7.600000E+11 0.000000E+00 e 0 0 0 0 359 119.701 119.700 8.274 1 U 1.620000E+12 0.000000E+00 e 0 0 0 0 360 120.833 120.826 9.240 1 U 6.760000E+11 0.000000E+00 e 0 0 0 0 361 127.534 127.538 9.150 1 U 7.500000E+11 0.000000E+00 e 0 0 0 0 362 113.771 113.769 9.287 1 U 1.140000E+12 0.000000E+00 e 0 0 0 0 363 120.623 120.624 8.965 1 U 1.050000E+12 0.000000E+00 e 0 0 0 0 364 126.308 126.307 8.796 1 U 1.880000E+12 0.000000E+00 e 0 0 0 0 365 129.185 129.184 8.831 1 U 2.500000E+12 0.000000E+00 e 0 0 0 0 366 123.941 123.939 8.897 1 U 2.060000E+12 0.000000E+00 e 0 0 0 0 367 119.012 119.012 8.748 1 U 1.790000E+12 0.000000E+00 e 0 0 0 0 368 120.059 120.056 7.748 1 U 5.920000E+12 0.000000E+00 e 0 0 0 0 369 117.192 117.194 8.518 1 U 9.290000E+11 0.000000E+00 e 0 0 0 0 370 122.085 122.081 9.308 1 U 8.060000E+11 0.000000E+00 e 0 0 0 0 371 129.171 122.094 9.309 1 U 1.840000E+11 0.000000E+00 e 0 0 0 0 372 121.497 121.474 9.136 1 U 3.830000E+11 0.000000E+00 e 0 0 0 0 373 127.199 127.200 9.361 1 U 1.450000E+12 0.000000E+00 e 0 0 0 0 374 126.698 126.700 8.748 1 U 1.140000E+12 0.000000E+00 e 0 0 0 0 375 123.795 123.794 8.465 1 U 1.840000E+12 0.000000E+00 e 0 0 0 0 376 114.268 114.265 8.161 1 U 4.820000E+12 0.000000E+00 e 0 0 0 0 377 117.958 117.958 7.711 1 U 3.100000E+12 0.000000E+00 e 0 0 0 0 378 121.455 121.451 7.397 1 U 2.130000E+12 0.000000E+00 e 0 0 0 0 379 121.464 108.722 8.166 1 U 2.610000E+11 0.000000E+00 e 0 0 0 0 380 108.743 108.742 8.166 1 U 2.950000E+12 0.000000E+00 e 0 0 0 0 381 108.756 120.022 8.329 1 U 6.120000E+11 0.000000E+00 e 0 0 0 0 382 113.203 120.033 8.326 1 U 3.180000E+11 0.000000E+00 e 0 0 0 0 383 120.024 120.024 8.328 1 U 4.310000E+12 0.000000E+00 e 0 0 0 0 384 117.869 117.861 8.316 1 U 1.050000E+12 0.000000E+00 e 0 0 0 0 385 113.219 117.842 8.316 1 U 7.570000E+11 0.000000E+00 e 0 0 0 0 386 113.222 113.221 7.699 1 U 7.110000E+12 0.000000E+00 e 0 0 0 0 387 108.708 113.235 7.702 1 U 2.060000E+11 0.000000E+00 e 0 0 0 0 388 118.152 118.157 8.811 1 U 1.130000E+12 0.000000E+00 e 0 0 0 0 389 118.579 118.579 6.658 1 U 1.800000E+12 0.000000E+00 e 0 0 0 0 390 122.836 118.525 6.660 1 U 1.520000E+11 0.000000E+00 e 0 0 0 0 391 111.973 111.973 7.859 1 U 5.050000E+11 0.000000E+00 e 0 0 0 0 392 124.888 124.890 8.708 1 U 8.530000E+11 0.000000E+00 e 0 0 0 0 393 123.998 123.998 8.560 1 U 3.140000E+12 0.000000E+00 e 0 0 0 0 394 118.689 124.019 8.560 1 U 1.830000E+11 0.000000E+00 e 0 0 0 0 395 121.732 121.732 7.982 1 U 2.070000E+13 0.000000E+00 e 0 0 0 0 396 126.830 121.734 7.982 1 U 1.520000E+12 0.000000E+00 e 0 0 0 0 397 126.829 126.829 7.947 1 U 1.290000E+14 0.000000E+00 e 0 0 0 0 398 112.195 118.765 8.374 1 U 2.730000E+11 0.000000E+00 e 0 0 0 0 399 124.679 121.790 9.075 1 U 1.390000E+11 0.000000E+00 e 0 0 0 0 400 112.244 119.178 7.829 1 U 2.090000E+11 0.000000E+00 e 0 0 0 0 401 110.419 118.912 8.643 1 U 1.870000E+11 0.000000E+00 e 0 0 0 0 402 118.383 112.825 6.969 1 U 1.470000E+11 0.000000E+00 e 0 0 0 0 403 114.165 114.164 7.521 1 U 2.070000E+13 0.000000E+00 e 0 0 0 0 404 111.668 126.832 7.946 1 U 2.340000E+11 0.000000E+00 e 0 0 0 0 405 110.446 126.839 7.947 1 U 3.320000E+11 0.000000E+00 e 0 0 0 0 406 110.405 110.405 6.485 1 U 2.270000E+13 0.000000E+00 e 0 0 0 0 407 110.451 110.452 7.091 1 U 2.260000E+13 0.000000E+00 e 0 0 0 0 408 111.697 124.070 8.564 1 U 2.130000E+11 0.000000E+00 e 0 0 0 0 409 111.608 111.607 6.697 1 U 1.550000E+13 0.000000E+00 e 0 0 0 0 410 111.609 111.607 7.553 1 U 1.670000E+13 0.000000E+00 e 0 0 0 0 411 127.492 127.545 8.066 1 U 2.510000E+11 0.000000E+00 e 0 0 0 0 412 124.442 124.452 8.509 1 U 3.210000E+11 0.000000E+00 e 0 0 0 0 413 120.826 123.800 8.461 1 U 2.220000E+11 0.000000E+00 e 0 0 0 0 414 122.239 122.241 8.209 1 U 1.160000E+12 0.000000E+00 e 0 0 0 0 415 124.178 124.186 8.344 1 U 6.930000E+11 0.000000E+00 e 0 0 0 0 416 117.964 118.012 8.301 1 U 5.460000E+11 0.000000E+00 e 0 0 0 0 417 113.942 122.473 8.114 1 U 1.570000E+11 0.000000E+00 e 0 0 0 0 418 117.688 117.684 8.570 1 U 1.710000E+12 0.000000E+00 e 0 0 0 0 419 125.314 117.686 8.571 1 U 1.440000E+11 0.000000E+00 e 0 0 0 0 420 117.279 117.275 8.617 1 U 2.710000E+11 0.000000E+00 e 0 0 0 0 421 111.756 111.759 6.888 1 U 5.700000E+12 0.000000E+00 e 0 0 0 0 422 111.756 111.758 7.601 1 U 6.670000E+12 0.000000E+00 e 0 0 0 0 423 123.125 123.128 9.079 1 U 3.060000E+11 0.000000E+00 e 0 0 0 0 424 107.603 107.602 6.634 1 U 6.670000E+12 0.000000E+00 e 0 0 0 0 425 107.602 107.602 6.498 1 U 5.030000E+12 0.000000E+00 e 0 0 0 0 426 128.567 128.552 9.289 1 U 3.020000E+11 0.000000E+00 e 0 0 0 0 427 108.695 108.677 6.946 1 U 1.690000E+11 0.000000E+00 e 0 0 0 0 428 121.687 108.744 6.948 1 U 1.510000E+11 0.000000E+00 e 0 0 0 0 429 115.225 115.187 8.121 1 U 1.390000E+11 0.000000E+00 e 0 0 0 0 430 114.171 114.110 6.860 1 U 3.870000E+13 0.000000E+00 e 0 0 0 0 431 124.174 117.885 8.629 1 U 1.450000E+11 0.000000E+00 e 0 0 0 0 432 122.961 124.169 8.916 1 U 1.490000E+11 0.000000E+00 e 0 0 0 0 433 117.371 121.830 8.313 1 U 1.760000E+11 0.000000E+00 e 0 0 0 0 434 107.080 120.534 8.705 1 U 2.270000E+11 0.000000E+00 e 0 0 0 0 435 122.074 107.112 7.591 1 U 1.750000E+11 0.000000E+00 e 0 0 0 0 436 118.160 122.126 8.324 1 U 2.900000E+11 0.000000E+00 e 0 0 0 0 437 118.041 122.273 8.312 1 U 1.170000E+11 0.000000E+00 e 0 0 0 0 438 122.003 122.596 8.731 1 U 1.390000E+11 0.000000E+00 e 0 0 0 0 439 123.372 122.588 8.739 1 U 1.090000E+11 0.000000E+00 e 0 0 0 0 440 125.882 119.520 8.106 1 U 1.280000E+11 0.000000E+00 e 0 0 0 0 441 120.183 124.420 8.082 1 U 1.630000E+11 0.000000E+00 e 0 0 0 0 442 112.941 124.390 8.082 1 U 1.320000E+11 0.000000E+00 e 0 0 0 0 443 112.935 112.935 6.822 1 U 9.490000E+13 0.000000E+00 e 0 0 0 0 444 112.930 112.929 7.506 1 U 1.010000E+14 0.000000E+00 e 0 0 0 0 445 117.856 112.891 7.506 1 U 1.590000E+11 0.000000E+00 e 0 0 0 0 446 121.264 120.417 8.112 1 U 2.670000E+11 0.000000E+00 e 0 0 0 0 447 122.107 120.427 8.120 1 U 1.560000E+11 0.000000E+00 e 0 0 0 0 448 112.181 112.181 6.786 1 U 3.320000E+13 0.000000E+00 e 0 0 0 0 449 112.271 112.270 6.808 1 U 1.910000E+13 0.000000E+00 e 0 0 0 0 450 112.232 112.230 7.576 1 U 1.850000E+13 0.000000E+00 e 0 0 0 0 451 112.129 112.129 7.510 1 U 8.780000E+12 0.000000E+00 e 0 0 0 0 452 112.192 112.190 7.441 1 U 3.040000E+13 0.000000E+00 e 0 0 0 0 453 112.313 112.312 7.630 1 U 6.410000E+12 0.000000E+00 e 0 0 0 0 454 108.021 108.023 8.483 1 U 1.530000E+12 0.000000E+00 e 0 0 0 0 455 122.024 108.030 8.485 1 U 1.940000E+11 0.000000E+00 e 0 0 0 0 456 111.176 111.175 6.679 1 U 7.990000E+12 0.000000E+00 e 0 0 0 0 457 111.178 111.177 7.197 1 U 6.730000E+12 0.000000E+00 e 0 0 0 0 458 122.860 122.844 8.592 1 U 2.440000E+12 0.000000E+00 e 0 0 0 0 459 128.008 120.819 7.804 1 U 1.800000E+11 0.000000E+00 e 0 0 0 0 460 124.698 120.726 7.809 1 U 1.040000E+11 0.000000E+00 e 0 0 0 0 461 107.705 107.684 6.573 1 U 6.300000E+11 0.000000E+00 e 0 0 0 0 462 107.690 107.692 7.901 1 U 6.130000E+11 0.000000E+00 e 0 0 0 0 463 110.034 112.628 7.364 1 U 1.880000E+11 0.000000E+00 e 0 0 0 0 464 110.050 113.178 8.461 1 U 1.590000E+11 0.000000E+00 e 0 0 0 0 465 113.833 113.833 7.619 1 U 2.900000E+13 0.000000E+00 e 0 0 0 0 466 124.659 118.896 9.055 1 U 1.450000E+11 0.000000E+00 e 0 0 0 0 467 110.049 110.049 6.864 1 U 2.840000E+12 0.000000E+00 e 0 0 0 0 468 110.050 110.047 7.789 1 U 2.560000E+12 0.000000E+00 e 0 0 0 0 469 122.817 120.438 7.925 1 U 1.430000E+11 0.000000E+00 e 0 0 0 0 470 119.163 115.766 7.712 1 U 1.460000E+11 0.000000E+00 e 0 0 0 0 471 120.413 115.789 7.712 1 U 1.290000E+11 0.000000E+00 e 0 0 0 0 472 119.266 120.146 7.869 1 U 1.990000E+11 0.000000E+00 e 0 0 0 0 473 113.907 121.801 8.515 1 U 1.690000E+11 0.000000E+00 e 0 0 0 0 474 118.289 121.417 8.263 1 U 3.320000E+11 0.000000E+00 e 0 0 0 0 475 120.924 130.093 9.242 1 U 1.540000E+11 0.000000E+00 e 0 0 0 0 476 120.417 130.075 9.237 1 U 1.210000E+11 0.000000E+00 e 0 0 0 0 477 112.812 112.811 6.964 1 U 2.840000E+13 0.000000E+00 e 0 0 0 0 478 118.348 112.814 7.508 1 U 1.480000E+11 0.000000E+00 e 0 0 0 0 479 125.699 114.113 6.688 1 U 1.830000E+11 0.000000E+00 e 0 0 0 0 480 125.777 114.168 7.440 1 U 1.120000E+11 0.000000E+00 e 0 0 0 0 481 124.692 124.691 8.410 1 U 5.380000E+13 0.000000E+00 e 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . 'not observed' 16129.032 Hz . . . 4.693 . . 31122 3 2 . . N 15 N . aliased 2632.761 Hz . . . 118.5 . . 31122 3 3 . . H 1 H . aliased 10991.252 Hz . . . 4.693 . . 31122 3 stop_ save_