data_34912 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34912 _Entry.Title ; NMR structure of the Staphylococcus aureus bacteriophage phi812 hub protein - lytic cleaver (CHAP) domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-03-27 _Entry.Accession_date 2024-03-27 _Entry.Last_release_date 2024-04-02 _Entry.Original_release_date 2024-04-02 _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. Binovsky J. . . . 34912 2 K. Tripsianes K. . . . 34912 3 J. Novacek J. . . . 34912 4 M. Benesik M. . . . 34912 5 P. Plevka P. . . . 34912 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAP . 34912 HYDROLASE . 34912 peptidase . 34912 peptidoglycan . 34912 phi812 . 34912 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34912 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 516 34912 '15N chemical shifts' 170 34912 '1H chemical shifts' 1062 34912 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 1 . . 2025-04-07 . original BMRB . 34912 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9EUM 'BMRB Entry Tracking System' 34912 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34912 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Cell attachment and tail contraction of S. aureus phage phi812 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 J. Binovsky J. . . . 34912 1 2 K. Tripsianes K. . . . 34912 1 3 J. Novacek J. . . . 34912 1 4 M. Benesik M. . . . 34912 1 5 P. Plevka P. . . . 34912 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34912 _Assembly.ID 1 _Assembly.Name 'Peptidase C51 domain-containing protein' _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 . . . . . . 34912 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34912 _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 ; MEQSSGDKDGGSDSGGAQDG GSLDSLKKYNGKLPKHDPSF VQPGNRHYKYQCTWYAYNRR GQLGIPVPLWGDAADWIGGA KGAGYGVGRTPKQGACVIWQ RGVQGGSPQYGHVAFVEKVL DGGKKIFISEHNYATPNGYG TRTIDMSSAIGKNAQFIYDK KKNSSSVDKLAAALEH ; _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 176 _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 18927.041 _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 . 34912 1 2 . GLU . 34912 1 3 . GLN . 34912 1 4 . SER . 34912 1 5 . SER . 34912 1 6 . GLY . 34912 1 7 . ASP . 34912 1 8 . LYS . 34912 1 9 . ASP . 34912 1 10 . GLY . 34912 1 11 . GLY . 34912 1 12 . SER . 34912 1 13 . ASP . 34912 1 14 . SER . 34912 1 15 . GLY . 34912 1 16 . GLY . 34912 1 17 . ALA . 34912 1 18 . GLN . 34912 1 19 . ASP . 34912 1 20 . GLY . 34912 1 21 . GLY . 34912 1 22 . SER . 34912 1 23 . LEU . 34912 1 24 . ASP . 34912 1 25 . SER . 34912 1 26 . LEU . 34912 1 27 . LYS . 34912 1 28 . LYS . 34912 1 29 . TYR . 34912 1 30 . ASN . 34912 1 31 . GLY . 34912 1 32 . LYS . 34912 1 33 . LEU . 34912 1 34 . PRO . 34912 1 35 . LYS . 34912 1 36 . HIS . 34912 1 37 . ASP . 34912 1 38 . PRO . 34912 1 39 . SER . 34912 1 40 . PHE . 34912 1 41 . VAL . 34912 1 42 . GLN . 34912 1 43 . PRO . 34912 1 44 . GLY . 34912 1 45 . ASN . 34912 1 46 . ARG . 34912 1 47 . HIS . 34912 1 48 . TYR . 34912 1 49 . LYS . 34912 1 50 . TYR . 34912 1 51 . GLN . 34912 1 52 . CYS . 34912 1 53 . THR . 34912 1 54 . TRP . 34912 1 55 . TYR . 34912 1 56 . ALA . 34912 1 57 . TYR . 34912 1 58 . ASN . 34912 1 59 . ARG . 34912 1 60 . ARG . 34912 1 61 . GLY . 34912 1 62 . GLN . 34912 1 63 . LEU . 34912 1 64 . GLY . 34912 1 65 . ILE . 34912 1 66 . PRO . 34912 1 67 . VAL . 34912 1 68 . PRO . 34912 1 69 . LEU . 34912 1 70 . TRP . 34912 1 71 . GLY . 34912 1 72 . ASP . 34912 1 73 . ALA . 34912 1 74 . ALA . 34912 1 75 . ASP . 34912 1 76 . TRP . 34912 1 77 . ILE . 34912 1 78 . GLY . 34912 1 79 . GLY . 34912 1 80 . ALA . 34912 1 81 . LYS . 34912 1 82 . GLY . 34912 1 83 . ALA . 34912 1 84 . GLY . 34912 1 85 . TYR . 34912 1 86 . GLY . 34912 1 87 . VAL . 34912 1 88 . GLY . 34912 1 89 . ARG . 34912 1 90 . THR . 34912 1 91 . PRO . 34912 1 92 . LYS . 34912 1 93 . GLN . 34912 1 94 . GLY . 34912 1 95 . ALA . 34912 1 96 . CYS . 34912 1 97 . VAL . 34912 1 98 . ILE . 34912 1 99 . TRP . 34912 1 100 . GLN . 34912 1 101 . ARG . 34912 1 102 . GLY . 34912 1 103 . VAL . 34912 1 104 . GLN . 34912 1 105 . GLY . 34912 1 106 . GLY . 34912 1 107 . SER . 34912 1 108 . PRO . 34912 1 109 . GLN . 34912 1 110 . TYR . 34912 1 111 . GLY . 34912 1 112 . HIS . 34912 1 113 . VAL . 34912 1 114 . ALA . 34912 1 115 . PHE . 34912 1 116 . VAL . 34912 1 117 . GLU . 34912 1 118 . LYS . 34912 1 119 . VAL . 34912 1 120 . LEU . 34912 1 121 . ASP . 34912 1 122 . GLY . 34912 1 123 . GLY . 34912 1 124 . LYS . 34912 1 125 . LYS . 34912 1 126 . ILE . 34912 1 127 . PHE . 34912 1 128 . ILE . 34912 1 129 . SER . 34912 1 130 . GLU . 34912 1 131 . HIS . 34912 1 132 . ASN . 34912 1 133 . TYR . 34912 1 134 . ALA . 34912 1 135 . THR . 34912 1 136 . PRO . 34912 1 137 . ASN . 34912 1 138 . GLY . 34912 1 139 . TYR . 34912 1 140 . GLY . 34912 1 141 . THR . 34912 1 142 . ARG . 34912 1 143 . THR . 34912 1 144 . ILE . 34912 1 145 . ASP . 34912 1 146 . MET . 34912 1 147 . SER . 34912 1 148 . SER . 34912 1 149 . ALA . 34912 1 150 . ILE . 34912 1 151 . GLY . 34912 1 152 . LYS . 34912 1 153 . ASN . 34912 1 154 . ALA . 34912 1 155 . GLN . 34912 1 156 . PHE . 34912 1 157 . ILE . 34912 1 158 . TYR . 34912 1 159 . ASP . 34912 1 160 . LYS . 34912 1 161 . LYS . 34912 1 162 . LYS . 34912 1 163 . ASN . 34912 1 164 . SER . 34912 1 165 . SER . 34912 1 166 . SER . 34912 1 167 . VAL . 34912 1 168 . ASP . 34912 1 169 . LYS . 34912 1 170 . LEU . 34912 1 171 . ALA . 34912 1 172 . ALA . 34912 1 173 . ALA . 34912 1 174 . LEU . 34912 1 175 . GLU . 34912 1 176 . HIS . 34912 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 34912 1 . GLU 2 2 34912 1 . GLN 3 3 34912 1 . SER 4 4 34912 1 . SER 5 5 34912 1 . GLY 6 6 34912 1 . ASP 7 7 34912 1 . LYS 8 8 34912 1 . ASP 9 9 34912 1 . GLY 10 10 34912 1 . GLY 11 11 34912 1 . SER 12 12 34912 1 . ASP 13 13 34912 1 . SER 14 14 34912 1 . GLY 15 15 34912 1 . GLY 16 16 34912 1 . ALA 17 17 34912 1 . GLN 18 18 34912 1 . ASP 19 19 34912 1 . GLY 20 20 34912 1 . GLY 21 21 34912 1 . SER 22 22 34912 1 . LEU 23 23 34912 1 . ASP 24 24 34912 1 . SER 25 25 34912 1 . LEU 26 26 34912 1 . LYS 27 27 34912 1 . LYS 28 28 34912 1 . TYR 29 29 34912 1 . ASN 30 30 34912 1 . GLY 31 31 34912 1 . LYS 32 32 34912 1 . LEU 33 33 34912 1 . PRO 34 34 34912 1 . LYS 35 35 34912 1 . HIS 36 36 34912 1 . ASP 37 37 34912 1 . PRO 38 38 34912 1 . SER 39 39 34912 1 . PHE 40 40 34912 1 . VAL 41 41 34912 1 . GLN 42 42 34912 1 . PRO 43 43 34912 1 . GLY 44 44 34912 1 . ASN 45 45 34912 1 . ARG 46 46 34912 1 . HIS 47 47 34912 1 . TYR 48 48 34912 1 . LYS 49 49 34912 1 . TYR 50 50 34912 1 . GLN 51 51 34912 1 . CYS 52 52 34912 1 . THR 53 53 34912 1 . TRP 54 54 34912 1 . TYR 55 55 34912 1 . ALA 56 56 34912 1 . TYR 57 57 34912 1 . ASN 58 58 34912 1 . ARG 59 59 34912 1 . ARG 60 60 34912 1 . GLY 61 61 34912 1 . GLN 62 62 34912 1 . LEU 63 63 34912 1 . GLY 64 64 34912 1 . ILE 65 65 34912 1 . PRO 66 66 34912 1 . VAL 67 67 34912 1 . PRO 68 68 34912 1 . LEU 69 69 34912 1 . TRP 70 70 34912 1 . GLY 71 71 34912 1 . ASP 72 72 34912 1 . ALA 73 73 34912 1 . ALA 74 74 34912 1 . ASP 75 75 34912 1 . TRP 76 76 34912 1 . ILE 77 77 34912 1 . GLY 78 78 34912 1 . GLY 79 79 34912 1 . ALA 80 80 34912 1 . LYS 81 81 34912 1 . GLY 82 82 34912 1 . ALA 83 83 34912 1 . GLY 84 84 34912 1 . TYR 85 85 34912 1 . GLY 86 86 34912 1 . VAL 87 87 34912 1 . GLY 88 88 34912 1 . ARG 89 89 34912 1 . THR 90 90 34912 1 . PRO 91 91 34912 1 . LYS 92 92 34912 1 . GLN 93 93 34912 1 . GLY 94 94 34912 1 . ALA 95 95 34912 1 . CYS 96 96 34912 1 . VAL 97 97 34912 1 . ILE 98 98 34912 1 . TRP 99 99 34912 1 . GLN 100 100 34912 1 . ARG 101 101 34912 1 . GLY 102 102 34912 1 . VAL 103 103 34912 1 . GLN 104 104 34912 1 . GLY 105 105 34912 1 . GLY 106 106 34912 1 . SER 107 107 34912 1 . PRO 108 108 34912 1 . GLN 109 109 34912 1 . TYR 110 110 34912 1 . GLY 111 111 34912 1 . HIS 112 112 34912 1 . VAL 113 113 34912 1 . ALA 114 114 34912 1 . PHE 115 115 34912 1 . VAL 116 116 34912 1 . GLU 117 117 34912 1 . LYS 118 118 34912 1 . VAL 119 119 34912 1 . LEU 120 120 34912 1 . ASP 121 121 34912 1 . GLY 122 122 34912 1 . GLY 123 123 34912 1 . LYS 124 124 34912 1 . LYS 125 125 34912 1 . ILE 126 126 34912 1 . PHE 127 127 34912 1 . ILE 128 128 34912 1 . SER 129 129 34912 1 . GLU 130 130 34912 1 . HIS 131 131 34912 1 . ASN 132 132 34912 1 . TYR 133 133 34912 1 . ALA 134 134 34912 1 . THR 135 135 34912 1 . PRO 136 136 34912 1 . ASN 137 137 34912 1 . GLY 138 138 34912 1 . TYR 139 139 34912 1 . GLY 140 140 34912 1 . THR 141 141 34912 1 . ARG 142 142 34912 1 . THR 143 143 34912 1 . ILE 144 144 34912 1 . ASP 145 145 34912 1 . MET 146 146 34912 1 . SER 147 147 34912 1 . SER 148 148 34912 1 . ALA 149 149 34912 1 . ILE 150 150 34912 1 . GLY 151 151 34912 1 . LYS 152 152 34912 1 . ASN 153 153 34912 1 . ALA 154 154 34912 1 . GLN 155 155 34912 1 . PHE 156 156 34912 1 . ILE 157 157 34912 1 . TYR 158 158 34912 1 . ASP 159 159 34912 1 . LYS 160 160 34912 1 . LYS 161 161 34912 1 . LYS 162 162 34912 1 . ASN 163 163 34912 1 . SER 164 164 34912 1 . SER 165 165 34912 1 . SER 166 166 34912 1 . VAL 167 167 34912 1 . ASP 168 168 34912 1 . LYS 169 169 34912 1 . LEU 170 170 34912 1 . ALA 171 171 34912 1 . ALA 172 172 34912 1 . ALA 173 173 34912 1 . LEU 174 174 34912 1 . GLU 175 175 34912 1 . HIS 176 176 34912 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 34912 _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 . 307898 organism . 'Staphylococcus phage 812' 'Staphylococcus phage 812' . . Viruses . Kayvirus 'Staphylococcus phage 812' . . . . . . . . . . . '812_113, 812a_113, 812F1_113, K1/420_113, K1_113' . 34912 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 34912 _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 BL21(DE3)' . . 469008 . . . . . . . . . . . . 34912 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34912 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.8 mM [U-99% 13C; U-99% 15N] CHAP domain, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'CHAP domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.8 . . mM . . . . 34912 1 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 34912 _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' 100 . mM 34912 1 pH 6.6 . pH 34912 1 pressure 1 . atm 34912 1 temperature 298 . K 34912 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34912 _Software.ID 1 _Software.Type . _Software.Name 4D-CHAINS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Evangelidis and Tripsianes' . . 34912 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34912 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34912 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34912 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34912 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34912 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34912 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34912 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34912 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34912 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34912 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 34912 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 34912 _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 NEO' . 850 . . . 34912 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 34912 _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 '4D HC(CC TOCSY(CO))NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34912 1 2 '4D 13C,15N edited HMQC-NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34912 1 3 '4D 13C,13C edited HMQC-NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34912 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 34912 _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 internal indirect 0.25144953 . . . . . 34912 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal indirect 1 . . . . . 34912 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10132912 . . . . . 34912 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 34912 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _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 '4D HC(CC TOCSY(CO))NH' . . . 34912 1 2 '4D 13C,15N edited HMQC-NOESY-HSQC' . . . 34912 1 3 '4D 13C,13C edited HMQC-NOESY-HSQC' . . . 34912 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 2 2 GLU HA H 1 4.351 0.004 . 1 . . . . A 2 GLU HA . 34912 1 2 . 1 . 1 2 2 GLU HB2 H 1 2.053 0.020 . 2 . . . . A 2 GLU HB2 . 34912 1 3 . 1 . 1 2 2 GLU HB3 H 1 1.933 0.020 . 2 . . . . A 2 GLU HB3 . 34912 1 4 . 1 . 1 2 2 GLU HG2 H 1 2.275 0.020 . 2 . . . . A 2 GLU HG2 . 34912 1 5 . 1 . 1 2 2 GLU HG3 H 1 2.275 0.020 . 2 . . . . A 2 GLU HG3 . 34912 1 6 . 1 . 1 2 2 GLU CA C 13 56.431 0.009 . 1 . . . . A 2 GLU CA . 34912 1 7 . 1 . 1 2 2 GLU CB C 13 30.391 0.200 . 1 . . . . A 2 GLU CB . 34912 1 8 . 1 . 1 2 2 GLU CG C 13 36.145 0.200 . 1 . . . . A 2 GLU CG . 34912 1 9 . 1 . 1 3 3 GLN H H 1 8.619 0.002 . 1 . . . . A 3 GLN H . 34912 1 10 . 1 . 1 3 3 GLN HA H 1 4.357 0.004 . 1 . . . . A 3 GLN HA . 34912 1 11 . 1 . 1 3 3 GLN HB2 H 1 2.098 0.006 . 2 . . . . A 3 GLN HB2 . 34912 1 12 . 1 . 1 3 3 GLN HB3 H 1 1.980 0.004 . 2 . . . . A 3 GLN HB3 . 34912 1 13 . 1 . 1 3 3 GLN HG2 H 1 2.370 0.004 . 2 . . . . A 3 GLN HG2 . 34912 1 14 . 1 . 1 3 3 GLN HG3 H 1 2.370 0.004 . 2 . . . . A 3 GLN HG3 . 34912 1 15 . 1 . 1 3 3 GLN CA C 13 55.884 0.015 . 1 . . . . A 3 GLN CA . 34912 1 16 . 1 . 1 3 3 GLN CB C 13 29.634 0.068 . 1 . . . . A 3 GLN CB . 34912 1 17 . 1 . 1 3 3 GLN CG C 13 33.695 0.051 . 1 . . . . A 3 GLN CG . 34912 1 18 . 1 . 1 3 3 GLN N N 15 121.974 0.005 . 1 . . . . A 3 GLN N . 34912 1 19 . 1 . 1 4 4 SER H H 1 8.511 0.002 . 1 . . . . A 4 SER H . 34912 1 20 . 1 . 1 4 4 SER HA H 1 4.491 0.002 . 1 . . . . A 4 SER HA . 34912 1 21 . 1 . 1 4 4 SER HB2 H 1 3.853 0.002 . 2 . . . . A 4 SER HB2 . 34912 1 22 . 1 . 1 4 4 SER HB3 H 1 3.853 0.002 . 2 . . . . A 4 SER HB3 . 34912 1 23 . 1 . 1 4 4 SER CA C 13 58.245 0.020 . 1 . . . . A 4 SER CA . 34912 1 24 . 1 . 1 4 4 SER CB C 13 63.929 0.020 . 1 . . . . A 4 SER CB . 34912 1 25 . 1 . 1 4 4 SER N N 15 117.437 0.013 . 1 . . . . A 4 SER N . 34912 1 26 . 1 . 1 5 5 SER HA H 1 4.463 0.005 . 1 . . . . A 5 SER HA . 34912 1 27 . 1 . 1 5 5 SER HB2 H 1 3.897 0.006 . 2 . . . . A 5 SER HB2 . 34912 1 28 . 1 . 1 5 5 SER HB3 H 1 3.897 0.006 . 2 . . . . A 5 SER HB3 . 34912 1 29 . 1 . 1 5 5 SER CA C 13 58.616 0.014 . 1 . . . . A 5 SER CA . 34912 1 30 . 1 . 1 5 5 SER CB C 13 63.835 0.011 . 1 . . . . A 5 SER CB . 34912 1 31 . 1 . 1 6 6 GLY H H 1 8.419 0.002 . 1 . . . . A 6 GLY H . 34912 1 32 . 1 . 1 6 6 GLY HA2 H 1 3.959 0.002 . 2 . . . . A 6 GLY HA2 . 34912 1 33 . 1 . 1 6 6 GLY HA3 H 1 3.959 0.002 . 2 . . . . A 6 GLY HA3 . 34912 1 34 . 1 . 1 6 6 GLY CA C 13 45.408 0.016 . 1 . . . . A 6 GLY CA . 34912 1 35 . 1 . 1 6 6 GLY N N 15 110.482 0.023 . 1 . . . . A 6 GLY N . 34912 1 36 . 1 . 1 7 7 ASP H H 1 8.209 0.001 . 1 . . . . A 7 ASP H . 34912 1 37 . 1 . 1 7 7 ASP HA H 1 4.572 0.008 . 1 . . . . A 7 ASP HA . 34912 1 38 . 1 . 1 7 7 ASP HB2 H 1 2.663 0.005 . 2 . . . . A 7 ASP HB2 . 34912 1 39 . 1 . 1 7 7 ASP HB3 H 1 2.599 0.002 . 2 . . . . A 7 ASP HB3 . 34912 1 40 . 1 . 1 7 7 ASP CA C 13 54.465 0.082 . 1 . . . . A 7 ASP CA . 34912 1 41 . 1 . 1 7 7 ASP CB C 13 41.235 0.042 . 1 . . . . A 7 ASP CB . 34912 1 42 . 1 . 1 7 7 ASP N N 15 120.180 0.002 . 1 . . . . A 7 ASP N . 34912 1 43 . 1 . 1 8 8 LYS H H 1 8.293 0.001 . 1 . . . . A 8 LYS H . 34912 1 44 . 1 . 1 8 8 LYS HA H 1 4.290 0.010 . 1 . . . . A 8 LYS HA . 34912 1 45 . 1 . 1 8 8 LYS HB2 H 1 1.828 0.009 . 2 . . . . A 8 LYS HB2 . 34912 1 46 . 1 . 1 8 8 LYS HB3 H 1 1.753 0.004 . 2 . . . . A 8 LYS HB3 . 34912 1 47 . 1 . 1 8 8 LYS HG2 H 1 1.397 0.003 . 2 . . . . A 8 LYS HG2 . 34912 1 48 . 1 . 1 8 8 LYS HG3 H 1 1.397 0.003 . 2 . . . . A 8 LYS HG3 . 34912 1 49 . 1 . 1 8 8 LYS HD2 H 1 1.644 0.004 . 2 . . . . A 8 LYS HD2 . 34912 1 50 . 1 . 1 8 8 LYS HD3 H 1 1.644 0.004 . 2 . . . . A 8 LYS HD3 . 34912 1 51 . 1 . 1 8 8 LYS HE2 H 1 2.984 0.020 . 2 . . . . A 8 LYS HE2 . 34912 1 52 . 1 . 1 8 8 LYS HE3 H 1 2.984 0.020 . 2 . . . . A 8 LYS HE3 . 34912 1 53 . 1 . 1 8 8 LYS CA C 13 56.490 0.036 . 1 . . . . A 8 LYS CA . 34912 1 54 . 1 . 1 8 8 LYS CB C 13 32.856 0.107 . 1 . . . . A 8 LYS CB . 34912 1 55 . 1 . 1 8 8 LYS CG C 13 24.489 0.020 . 1 . . . . A 8 LYS CG . 34912 1 56 . 1 . 1 8 8 LYS CD C 13 28.998 0.016 . 1 . . . . A 8 LYS CD . 34912 1 57 . 1 . 1 8 8 LYS CE C 13 42.382 0.200 . 1 . . . . A 8 LYS CE . 34912 1 58 . 1 . 1 8 8 LYS N N 15 121.145 0.021 . 1 . . . . A 8 LYS N . 34912 1 59 . 1 . 1 9 9 ASP H H 1 8.344 0.001 . 1 . . . . A 9 ASP H . 34912 1 60 . 1 . 1 9 9 ASP HA H 1 4.601 0.005 . 1 . . . . A 9 ASP HA . 34912 1 61 . 1 . 1 9 9 ASP HB2 H 1 2.710 0.003 . 2 . . . . A 9 ASP HB2 . 34912 1 62 . 1 . 1 9 9 ASP HB3 H 1 2.640 0.001 . 2 . . . . A 9 ASP HB3 . 34912 1 63 . 1 . 1 9 9 ASP CA C 13 54.575 0.008 . 1 . . . . A 9 ASP CA . 34912 1 64 . 1 . 1 9 9 ASP CB C 13 41.319 0.048 . 1 . . . . A 9 ASP CB . 34912 1 65 . 1 . 1 9 9 ASP N N 15 120.774 0.020 . 1 . . . . A 9 ASP N . 34912 1 66 . 1 . 1 10 10 GLY H H 1 8.342 0.020 . 1 . . . . A 10 GLY H . 34912 1 67 . 1 . 1 10 10 GLY HA2 H 1 3.954 0.004 . 2 . . . . A 10 GLY HA2 . 34912 1 68 . 1 . 1 10 10 GLY HA3 H 1 3.954 0.004 . 2 . . . . A 10 GLY HA3 . 34912 1 69 . 1 . 1 10 10 GLY CA C 13 45.688 0.039 . 1 . . . . A 10 GLY CA . 34912 1 70 . 1 . 1 10 10 GLY N N 15 109.336 0.008 . 1 . . . . A 10 GLY N . 34912 1 71 . 1 . 1 11 11 GLY H H 1 8.327 0.020 . 1 . . . . A 11 GLY H . 34912 1 72 . 1 . 1 11 11 GLY HA2 H 1 3.986 0.003 . 2 . . . . A 11 GLY HA2 . 34912 1 73 . 1 . 1 11 11 GLY HA3 H 1 3.986 0.003 . 2 . . . . A 11 GLY HA3 . 34912 1 74 . 1 . 1 11 11 GLY CA C 13 45.329 0.046 . 1 . . . . A 11 GLY CA . 34912 1 75 . 1 . 1 11 11 GLY N N 15 108.601 0.015 . 1 . . . . A 11 GLY N . 34912 1 76 . 1 . 1 12 12 SER H H 1 8.275 0.005 . 1 . . . . A 12 SER H . 34912 1 77 . 1 . 1 12 12 SER HA H 1 4.442 0.005 . 1 . . . . A 12 SER HA . 34912 1 78 . 1 . 1 12 12 SER HB2 H 1 3.859 0.013 . 2 . . . . A 12 SER HB2 . 34912 1 79 . 1 . 1 12 12 SER HB3 H 1 3.859 0.013 . 2 . . . . A 12 SER HB3 . 34912 1 80 . 1 . 1 12 12 SER CA C 13 58.541 0.013 . 1 . . . . A 12 SER CA . 34912 1 81 . 1 . 1 12 12 SER CB C 13 63.913 0.022 . 1 . . . . A 12 SER CB . 34912 1 82 . 1 . 1 12 12 SER N N 15 115.351 0.013 . 1 . . . . A 12 SER N . 34912 1 83 . 1 . 1 13 13 ASP H H 1 8.447 0.020 . 1 . . . . A 13 ASP H . 34912 1 84 . 1 . 1 13 13 ASP HA H 1 4.645 0.003 . 1 . . . . A 13 ASP HA . 34912 1 85 . 1 . 1 13 13 ASP HB2 H 1 2.664 0.013 . 2 . . . . A 13 ASP HB2 . 34912 1 86 . 1 . 1 13 13 ASP HB3 H 1 2.664 0.013 . 2 . . . . A 13 ASP HB3 . 34912 1 87 . 1 . 1 13 13 ASP CA C 13 54.368 0.032 . 1 . . . . A 13 ASP CA . 34912 1 88 . 1 . 1 13 13 ASP CB C 13 41.262 0.028 . 1 . . . . A 13 ASP CB . 34912 1 89 . 1 . 1 13 13 ASP N N 15 122.103 0.014 . 1 . . . . A 13 ASP N . 34912 1 90 . 1 . 1 14 14 SER H H 1 8.256 0.002 . 1 . . . . A 14 SER H . 34912 1 91 . 1 . 1 14 14 SER HA H 1 4.340 0.005 . 1 . . . . A 14 SER HA . 34912 1 92 . 1 . 1 14 14 SER HB2 H 1 3.830 0.029 . 2 . . . . A 14 SER HB2 . 34912 1 93 . 1 . 1 14 14 SER HB3 H 1 3.830 0.029 . 2 . . . . A 14 SER HB3 . 34912 1 94 . 1 . 1 14 14 SER CA C 13 58.662 0.017 . 1 . . . . A 14 SER CA . 34912 1 95 . 1 . 1 14 14 SER CB C 13 63.772 0.050 . 1 . . . . A 14 SER CB . 34912 1 96 . 1 . 1 14 14 SER N N 15 116.112 0.025 . 1 . . . . A 14 SER N . 34912 1 97 . 1 . 1 15 15 GLY H H 1 8.408 0.002 . 1 . . . . A 15 GLY H . 34912 1 98 . 1 . 1 15 15 GLY HA2 H 1 3.825 0.003 . 2 . . . . A 15 GLY HA2 . 34912 1 99 . 1 . 1 15 15 GLY HA3 H 1 3.825 0.003 . 2 . . . . A 15 GLY HA3 . 34912 1 100 . 1 . 1 15 15 GLY CA C 13 45.454 0.014 . 1 . . . . A 15 GLY CA . 34912 1 101 . 1 . 1 15 15 GLY N N 15 110.522 0.003 . 1 . . . . A 15 GLY N . 34912 1 102 . 1 . 1 16 16 GLY H H 1 8.097 0.020 . 1 . . . . A 16 GLY H . 34912 1 103 . 1 . 1 16 16 GLY HA2 H 1 3.898 0.006 . 2 . . . . A 16 GLY HA2 . 34912 1 104 . 1 . 1 16 16 GLY HA3 H 1 3.898 0.006 . 2 . . . . A 16 GLY HA3 . 34912 1 105 . 1 . 1 16 16 GLY CA C 13 44.945 0.090 . 1 . . . . A 16 GLY CA . 34912 1 106 . 1 . 1 16 16 GLY N N 15 108.214 0.006 . 1 . . . . A 16 GLY N . 34912 1 107 . 1 . 1 17 17 ALA H H 1 8.179 0.020 . 1 . . . . A 17 ALA H . 34912 1 108 . 1 . 1 17 17 ALA HA H 1 4.276 0.004 . 1 . . . . A 17 ALA HA . 34912 1 109 . 1 . 1 17 17 ALA HB1 H 1 1.327 0.003 . 1 . . . . A 17 ALA HB1 . 34912 1 110 . 1 . 1 17 17 ALA HB2 H 1 1.327 0.003 . 1 . . . . A 17 ALA HB2 . 34912 1 111 . 1 . 1 17 17 ALA HB3 H 1 1.327 0.003 . 1 . . . . A 17 ALA HB3 . 34912 1 112 . 1 . 1 17 17 ALA CA C 13 52.210 0.023 . 1 . . . . A 17 ALA CA . 34912 1 113 . 1 . 1 17 17 ALA CB C 13 19.444 0.071 . 1 . . . . A 17 ALA CB . 34912 1 114 . 1 . 1 17 17 ALA N N 15 123.295 0.004 . 1 . . . . A 17 ALA N . 34912 1 115 . 1 . 1 18 18 GLN H H 1 8.334 0.002 . 1 . . . . A 18 GLN H . 34912 1 116 . 1 . 1 18 18 GLN HA H 1 4.335 0.005 . 1 . . . . A 18 GLN HA . 34912 1 117 . 1 . 1 18 18 GLN HB2 H 1 2.004 0.012 . 2 . . . . A 18 GLN HB2 . 34912 1 118 . 1 . 1 18 18 GLN HB3 H 1 2.004 0.012 . 2 . . . . A 18 GLN HB3 . 34912 1 119 . 1 . 1 18 18 GLN HG2 H 1 2.337 0.009 . 2 . . . . A 18 GLN HG2 . 34912 1 120 . 1 . 1 18 18 GLN HG3 H 1 2.337 0.009 . 2 . . . . A 18 GLN HG3 . 34912 1 121 . 1 . 1 18 18 GLN CA C 13 55.825 0.016 . 1 . . . . A 18 GLN CA . 34912 1 122 . 1 . 1 18 18 GLN CB C 13 28.881 0.017 . 1 . . . . A 18 GLN CB . 34912 1 123 . 1 . 1 18 18 GLN CG C 13 33.294 0.061 . 1 . . . . A 18 GLN CG . 34912 1 124 . 1 . 1 18 18 GLN N N 15 119.590 0.006 . 1 . . . . A 18 GLN N . 34912 1 125 . 1 . 1 19 19 ASP HA H 1 4.542 0.020 . 1 . . . . A 19 ASP HA . 34912 1 126 . 1 . 1 19 19 ASP CA C 13 53.961 0.200 . 1 . . . . A 19 ASP CA . 34912 1 127 . 1 . 1 20 20 GLY H H 1 8.069 0.001 . 1 . . . . A 20 GLY H . 34912 1 128 . 1 . 1 20 20 GLY HA2 H 1 3.858 0.006 . 2 . . . . A 20 GLY HA2 . 34912 1 129 . 1 . 1 20 20 GLY HA3 H 1 3.858 0.006 . 2 . . . . A 20 GLY HA3 . 34912 1 130 . 1 . 1 20 20 GLY CA C 13 45.073 0.099 . 1 . . . . A 20 GLY CA . 34912 1 131 . 1 . 1 20 20 GLY N N 15 108.641 0.019 . 1 . . . . A 20 GLY N . 34912 1 132 . 1 . 1 21 21 GLY H H 1 8.525 0.003 . 1 . . . . A 21 GLY H . 34912 1 133 . 1 . 1 21 21 GLY HA2 H 1 4.003 0.010 . 2 . . . . A 21 GLY HA2 . 34912 1 134 . 1 . 1 21 21 GLY HA3 H 1 4.003 0.010 . 2 . . . . A 21 GLY HA3 . 34912 1 135 . 1 . 1 21 21 GLY CA C 13 45.386 0.045 . 1 . . . . A 21 GLY CA . 34912 1 136 . 1 . 1 21 21 GLY N N 15 107.823 0.024 . 1 . . . . A 21 GLY N . 34912 1 137 . 1 . 1 22 22 SER H H 1 8.333 0.001 . 1 . . . . A 22 SER H . 34912 1 138 . 1 . 1 22 22 SER HB2 H 1 3.756 0.020 . 2 . . . . A 22 SER HB2 . 34912 1 139 . 1 . 1 22 22 SER HB3 H 1 3.756 0.020 . 2 . . . . A 22 SER HB3 . 34912 1 140 . 1 . 1 22 22 SER CB C 13 65.525 0.200 . 1 . . . . A 22 SER CB . 34912 1 141 . 1 . 1 22 22 SER N N 15 114.582 0.053 . 1 . . . . A 22 SER N . 34912 1 142 . 1 . 1 23 23 LEU HG H 1 1.919 0.001 . 1 . . . . A 23 LEU HG . 34912 1 143 . 1 . 1 23 23 LEU HD11 H 1 0.856 0.005 . 2 . . . . A 23 LEU HD11 . 34912 1 144 . 1 . 1 23 23 LEU HD12 H 1 0.856 0.005 . 2 . . . . A 23 LEU HD12 . 34912 1 145 . 1 . 1 23 23 LEU HD13 H 1 0.856 0.005 . 2 . . . . A 23 LEU HD13 . 34912 1 146 . 1 . 1 23 23 LEU HD21 H 1 0.836 0.003 . 2 . . . . A 23 LEU HD21 . 34912 1 147 . 1 . 1 23 23 LEU HD22 H 1 0.836 0.003 . 2 . . . . A 23 LEU HD22 . 34912 1 148 . 1 . 1 23 23 LEU HD23 H 1 0.836 0.003 . 2 . . . . A 23 LEU HD23 . 34912 1 149 . 1 . 1 23 23 LEU CG C 13 27.867 0.077 . 1 . . . . A 23 LEU CG . 34912 1 150 . 1 . 1 23 23 LEU CD1 C 13 25.497 0.056 . 1 . . . . A 23 LEU CD1 . 34912 1 151 . 1 . 1 23 23 LEU CD2 C 13 24.285 0.035 . 1 . . . . A 23 LEU CD2 . 34912 1 152 . 1 . 1 25 25 SER HA H 1 4.251 0.007 . 1 . . . . A 25 SER HA . 34912 1 153 . 1 . 1 25 25 SER HB2 H 1 3.980 0.016 . 2 . . . . A 25 SER HB2 . 34912 1 154 . 1 . 1 25 25 SER HB3 H 1 3.861 0.018 . 2 . . . . A 25 SER HB3 . 34912 1 155 . 1 . 1 25 25 SER CA C 13 60.808 0.164 . 1 . . . . A 25 SER CA . 34912 1 156 . 1 . 1 25 25 SER CB C 13 62.941 0.189 . 1 . . . . A 25 SER CB . 34912 1 157 . 1 . 1 26 26 LEU H H 1 7.749 0.005 . 1 . . . . A 26 LEU H . 34912 1 158 . 1 . 1 26 26 LEU HA H 1 4.260 0.003 . 1 . . . . A 26 LEU HA . 34912 1 159 . 1 . 1 26 26 LEU HB2 H 1 1.978 0.010 . 2 . . . . A 26 LEU HB2 . 34912 1 160 . 1 . 1 26 26 LEU HB3 H 1 1.774 0.016 . 2 . . . . A 26 LEU HB3 . 34912 1 161 . 1 . 1 26 26 LEU HG H 1 1.821 0.003 . 1 . . . . A 26 LEU HG . 34912 1 162 . 1 . 1 26 26 LEU HD11 H 1 1.125 0.020 . 2 . . . . A 26 LEU HD11 . 34912 1 163 . 1 . 1 26 26 LEU HD12 H 1 1.125 0.020 . 2 . . . . A 26 LEU HD12 . 34912 1 164 . 1 . 1 26 26 LEU HD13 H 1 1.125 0.020 . 2 . . . . A 26 LEU HD13 . 34912 1 165 . 1 . 1 26 26 LEU HD21 H 1 1.120 0.020 . 2 . . . . A 26 LEU HD21 . 34912 1 166 . 1 . 1 26 26 LEU HD22 H 1 1.120 0.020 . 2 . . . . A 26 LEU HD22 . 34912 1 167 . 1 . 1 26 26 LEU HD23 H 1 1.120 0.020 . 2 . . . . A 26 LEU HD23 . 34912 1 168 . 1 . 1 26 26 LEU CA C 13 57.952 0.009 . 1 . . . . A 26 LEU CA . 34912 1 169 . 1 . 1 26 26 LEU CB C 13 41.326 0.134 . 1 . . . . A 26 LEU CB . 34912 1 170 . 1 . 1 26 26 LEU CG C 13 27.133 0.027 . 1 . . . . A 26 LEU CG . 34912 1 171 . 1 . 1 26 26 LEU CD1 C 13 26.815 0.109 . 1 . . . . A 26 LEU CD1 . 34912 1 172 . 1 . 1 26 26 LEU CD2 C 13 23.196 0.200 . 1 . . . . A 26 LEU CD2 . 34912 1 173 . 1 . 1 26 26 LEU N N 15 116.276 0.026 . 1 . . . . A 26 LEU N . 34912 1 174 . 1 . 1 27 27 LYS H H 1 7.846 0.006 . 1 . . . . A 27 LYS H . 34912 1 175 . 1 . 1 27 27 LYS HA H 1 4.051 0.008 . 1 . . . . A 27 LYS HA . 34912 1 176 . 1 . 1 27 27 LYS HB2 H 1 1.916 0.008 . 2 . . . . A 27 LYS HB2 . 34912 1 177 . 1 . 1 27 27 LYS HB3 H 1 1.916 0.008 . 2 . . . . A 27 LYS HB3 . 34912 1 178 . 1 . 1 27 27 LYS HG2 H 1 1.619 0.008 . 2 . . . . A 27 LYS HG2 . 34912 1 179 . 1 . 1 27 27 LYS HG3 H 1 1.472 0.009 . 2 . . . . A 27 LYS HG3 . 34912 1 180 . 1 . 1 27 27 LYS HD2 H 1 1.725 0.005 . 2 . . . . A 27 LYS HD2 . 34912 1 181 . 1 . 1 27 27 LYS HD3 H 1 1.725 0.005 . 2 . . . . A 27 LYS HD3 . 34912 1 182 . 1 . 1 27 27 LYS HE2 H 1 2.987 0.005 . 2 . . . . A 27 LYS HE2 . 34912 1 183 . 1 . 1 27 27 LYS HE3 H 1 2.987 0.005 . 2 . . . . A 27 LYS HE3 . 34912 1 184 . 1 . 1 27 27 LYS CA C 13 60.270 0.065 . 1 . . . . A 27 LYS CA . 34912 1 185 . 1 . 1 27 27 LYS CB C 13 31.941 0.082 . 1 . . . . A 27 LYS CB . 34912 1 186 . 1 . 1 27 27 LYS CG C 13 26.001 0.062 . 1 . . . . A 27 LYS CG . 34912 1 187 . 1 . 1 27 27 LYS CD C 13 29.223 0.019 . 1 . . . . A 27 LYS CD . 34912 1 188 . 1 . 1 27 27 LYS CE C 13 42.187 0.001 . 1 . . . . A 27 LYS CE . 34912 1 189 . 1 . 1 27 27 LYS N N 15 124.709 0.040 . 1 . . . . A 27 LYS N . 34912 1 190 . 1 . 1 28 28 LYS HA H 1 4.107 0.005 . 1 . . . . A 28 LYS HA . 34912 1 191 . 1 . 1 28 28 LYS HB2 H 1 1.640 0.010 . 2 . . . . A 28 LYS HB2 . 34912 1 192 . 1 . 1 28 28 LYS HB3 H 1 1.640 0.010 . 2 . . . . A 28 LYS HB3 . 34912 1 193 . 1 . 1 28 28 LYS HG2 H 1 0.894 0.020 . 2 . . . . A 28 LYS HG2 . 34912 1 194 . 1 . 1 28 28 LYS HG3 H 1 0.052 0.003 . 2 . . . . A 28 LYS HG3 . 34912 1 195 . 1 . 1 28 28 LYS HD2 H 1 1.357 0.020 . 2 . . . . A 28 LYS HD2 . 34912 1 196 . 1 . 1 28 28 LYS HD3 H 1 1.357 0.020 . 2 . . . . A 28 LYS HD3 . 34912 1 197 . 1 . 1 28 28 LYS HE2 H 1 2.641 0.020 . 2 . . . . A 28 LYS HE2 . 34912 1 198 . 1 . 1 28 28 LYS HE3 H 1 2.641 0.020 . 2 . . . . A 28 LYS HE3 . 34912 1 199 . 1 . 1 28 28 LYS CA C 13 57.598 0.027 . 1 . . . . A 28 LYS CA . 34912 1 200 . 1 . 1 28 28 LYS CB C 13 30.913 0.015 . 1 . . . . A 28 LYS CB . 34912 1 201 . 1 . 1 28 28 LYS CG C 13 22.396 0.068 . 1 . . . . A 28 LYS CG . 34912 1 202 . 1 . 1 28 28 LYS CD C 13 29.286 0.030 . 1 . . . . A 28 LYS CD . 34912 1 203 . 1 . 1 28 28 LYS CE C 13 42.025 0.200 . 1 . . . . A 28 LYS CE . 34912 1 204 . 1 . 1 29 29 TYR H H 1 7.347 0.006 . 1 . . . . A 29 TYR H . 34912 1 205 . 1 . 1 29 29 TYR HA H 1 4.593 0.008 . 1 . . . . A 29 TYR HA . 34912 1 206 . 1 . 1 29 29 TYR HB2 H 1 3.648 0.009 . 2 . . . . A 29 TYR HB2 . 34912 1 207 . 1 . 1 29 29 TYR HB3 H 1 2.642 0.008 . 2 . . . . A 29 TYR HB3 . 34912 1 208 . 1 . 1 29 29 TYR HD1 H 1 7.249 0.015 . 1 . . . . A 29 TYR HD1 . 34912 1 209 . 1 . 1 29 29 TYR HD2 H 1 7.249 0.015 . 1 . . . . A 29 TYR HD2 . 34912 1 210 . 1 . 1 29 29 TYR HE1 H 1 6.858 0.020 . 1 . . . . A 29 TYR HE1 . 34912 1 211 . 1 . 1 29 29 TYR HE2 H 1 6.858 0.020 . 1 . . . . A 29 TYR HE2 . 34912 1 212 . 1 . 1 29 29 TYR CA C 13 58.750 0.087 . 1 . . . . A 29 TYR CA . 34912 1 213 . 1 . 1 29 29 TYR CB C 13 36.928 0.111 . 1 . . . . A 29 TYR CB . 34912 1 214 . 1 . 1 29 29 TYR CD1 C 13 132.630 0.095 . 1 . . . . A 29 TYR CD1 . 34912 1 215 . 1 . 1 29 29 TYR CD2 C 13 132.630 0.095 . 1 . . . . A 29 TYR CD2 . 34912 1 216 . 1 . 1 29 29 TYR CE1 C 13 118.267 0.060 . 1 . . . . A 29 TYR CE1 . 34912 1 217 . 1 . 1 29 29 TYR CE2 C 13 118.267 0.060 . 1 . . . . A 29 TYR CE2 . 34912 1 218 . 1 . 1 29 29 TYR N N 15 117.373 0.025 . 1 . . . . A 29 TYR N . 34912 1 219 . 1 . 1 30 30 ASN H H 1 8.455 0.003 . 1 . . . . A 30 ASN H . 34912 1 220 . 1 . 1 30 30 ASN HA H 1 4.513 0.005 . 1 . . . . A 30 ASN HA . 34912 1 221 . 1 . 1 30 30 ASN HB2 H 1 3.095 0.020 . 2 . . . . A 30 ASN HB2 . 34912 1 222 . 1 . 1 30 30 ASN HB3 H 1 2.754 0.020 . 2 . . . . A 30 ASN HB3 . 34912 1 223 . 1 . 1 30 30 ASN HD21 H 1 7.546 0.020 . 2 . . . . A 30 ASN HD21 . 34912 1 224 . 1 . 1 30 30 ASN HD22 H 1 6.768 0.020 . 2 . . . . A 30 ASN HD22 . 34912 1 225 . 1 . 1 30 30 ASN CA C 13 54.492 0.058 . 1 . . . . A 30 ASN CA . 34912 1 226 . 1 . 1 30 30 ASN CB C 13 37.492 0.036 . 1 . . . . A 30 ASN CB . 34912 1 227 . 1 . 1 30 30 ASN N N 15 116.982 0.012 . 1 . . . . A 30 ASN N . 34912 1 228 . 1 . 1 30 30 ASN ND2 N 15 112.495 0.003 . 1 . . . . A 30 ASN ND2 . 34912 1 229 . 1 . 1 31 31 GLY H H 1 8.837 0.001 . 1 . . . . A 31 GLY H . 34912 1 230 . 1 . 1 31 31 GLY HA2 H 1 4.366 0.010 . 2 . . . . A 31 GLY HA2 . 34912 1 231 . 1 . 1 31 31 GLY HA3 H 1 3.849 0.005 . 2 . . . . A 31 GLY HA3 . 34912 1 232 . 1 . 1 31 31 GLY CA C 13 45.525 0.049 . 1 . . . . A 31 GLY CA . 34912 1 233 . 1 . 1 31 31 GLY N N 15 103.898 0.016 . 1 . . . . A 31 GLY N . 34912 1 234 . 1 . 1 32 32 LYS H H 1 7.586 0.003 . 1 . . . . A 32 LYS H . 34912 1 235 . 1 . 1 32 32 LYS HA H 1 4.618 0.006 . 1 . . . . A 32 LYS HA . 34912 1 236 . 1 . 1 32 32 LYS HB2 H 1 1.848 0.008 . 2 . . . . A 32 LYS HB2 . 34912 1 237 . 1 . 1 32 32 LYS HB3 H 1 1.783 0.009 . 2 . . . . A 32 LYS HB3 . 34912 1 238 . 1 . 1 32 32 LYS HG2 H 1 1.389 0.012 . 2 . . . . A 32 LYS HG2 . 34912 1 239 . 1 . 1 32 32 LYS HG3 H 1 1.303 0.011 . 2 . . . . A 32 LYS HG3 . 34912 1 240 . 1 . 1 32 32 LYS HD2 H 1 1.714 0.007 . 2 . . . . A 32 LYS HD2 . 34912 1 241 . 1 . 1 32 32 LYS HD3 H 1 1.714 0.007 . 2 . . . . A 32 LYS HD3 . 34912 1 242 . 1 . 1 32 32 LYS HE2 H 1 3.025 0.020 . 2 . . . . A 32 LYS HE2 . 34912 1 243 . 1 . 1 32 32 LYS HE3 H 1 3.025 0.020 . 2 . . . . A 32 LYS HE3 . 34912 1 244 . 1 . 1 32 32 LYS CA C 13 54.609 0.071 . 1 . . . . A 32 LYS CA . 34912 1 245 . 1 . 1 32 32 LYS CB C 13 32.248 0.084 . 1 . . . . A 32 LYS CB . 34912 1 246 . 1 . 1 32 32 LYS CG C 13 24.494 0.066 . 1 . . . . A 32 LYS CG . 34912 1 247 . 1 . 1 32 32 LYS CD C 13 29.359 0.057 . 1 . . . . A 32 LYS CD . 34912 1 248 . 1 . 1 32 32 LYS CE C 13 42.174 0.200 . 1 . . . . A 32 LYS CE . 34912 1 249 . 1 . 1 32 32 LYS N N 15 124.328 0.010 . 1 . . . . A 32 LYS N . 34912 1 250 . 1 . 1 33 33 LEU H H 1 8.329 0.005 . 1 . . . . A 33 LEU H . 34912 1 251 . 1 . 1 33 33 LEU HA H 1 3.927 0.012 . 1 . . . . A 33 LEU HA . 34912 1 252 . 1 . 1 33 33 LEU HB2 H 1 1.733 0.020 . 2 . . . . A 33 LEU HB2 . 34912 1 253 . 1 . 1 33 33 LEU HB3 H 1 1.082 0.020 . 2 . . . . A 33 LEU HB3 . 34912 1 254 . 1 . 1 33 33 LEU HG H 1 1.905 0.013 . 1 . . . . A 33 LEU HG . 34912 1 255 . 1 . 1 33 33 LEU HD11 H 1 1.208 0.020 . 2 . . . . A 33 LEU HD11 . 34912 1 256 . 1 . 1 33 33 LEU HD12 H 1 1.208 0.020 . 2 . . . . A 33 LEU HD12 . 34912 1 257 . 1 . 1 33 33 LEU HD13 H 1 1.208 0.020 . 2 . . . . A 33 LEU HD13 . 34912 1 258 . 1 . 1 33 33 LEU HD21 H 1 0.793 0.007 . 2 . . . . A 33 LEU HD21 . 34912 1 259 . 1 . 1 33 33 LEU HD22 H 1 0.793 0.007 . 2 . . . . A 33 LEU HD22 . 34912 1 260 . 1 . 1 33 33 LEU HD23 H 1 0.793 0.007 . 2 . . . . A 33 LEU HD23 . 34912 1 261 . 1 . 1 33 33 LEU CA C 13 53.026 0.175 . 1 . . . . A 33 LEU CA . 34912 1 262 . 1 . 1 33 33 LEU CB C 13 39.885 0.096 . 1 . . . . A 33 LEU CB . 34912 1 263 . 1 . 1 33 33 LEU CG C 13 27.182 0.227 . 1 . . . . A 33 LEU CG . 34912 1 264 . 1 . 1 33 33 LEU CD1 C 13 25.710 0.200 . 1 . . . . A 33 LEU CD1 . 34912 1 265 . 1 . 1 33 33 LEU CD2 C 13 23.397 0.071 . 1 . . . . A 33 LEU CD2 . 34912 1 266 . 1 . 1 33 33 LEU N N 15 122.079 0.060 . 1 . . . . A 33 LEU N . 34912 1 267 . 1 . 1 34 34 PRO HA H 1 4.219 0.013 . 1 . . . . A 34 PRO HA . 34912 1 268 . 1 . 1 34 34 PRO HB2 H 1 2.196 0.020 . 2 . . . . A 34 PRO HB2 . 34912 1 269 . 1 . 1 34 34 PRO HB3 H 1 1.427 0.020 . 2 . . . . A 34 PRO HB3 . 34912 1 270 . 1 . 1 34 34 PRO HG2 H 1 1.756 0.020 . 2 . . . . A 34 PRO HG2 . 34912 1 271 . 1 . 1 34 34 PRO HG3 H 1 1.650 0.020 . 2 . . . . A 34 PRO HG3 . 34912 1 272 . 1 . 1 34 34 PRO HD2 H 1 2.575 0.020 . 2 . . . . A 34 PRO HD2 . 34912 1 273 . 1 . 1 34 34 PRO HD3 H 1 2.575 0.020 . 2 . . . . A 34 PRO HD3 . 34912 1 274 . 1 . 1 34 34 PRO CA C 13 62.853 0.067 . 1 . . . . A 34 PRO CA . 34912 1 275 . 1 . 1 34 34 PRO CB C 13 32.174 0.091 . 1 . . . . A 34 PRO CB . 34912 1 276 . 1 . 1 34 34 PRO CG C 13 27.705 0.102 . 1 . . . . A 34 PRO CG . 34912 1 277 . 1 . 1 34 34 PRO CD C 13 49.339 0.104 . 1 . . . . A 34 PRO CD . 34912 1 278 . 1 . 1 35 35 LYS H H 1 8.533 0.002 . 1 . . . . A 35 LYS H . 34912 1 279 . 1 . 1 35 35 LYS HA H 1 4.178 0.002 . 1 . . . . A 35 LYS HA . 34912 1 280 . 1 . 1 35 35 LYS HB2 H 1 1.766 0.008 . 2 . . . . A 35 LYS HB2 . 34912 1 281 . 1 . 1 35 35 LYS HB3 H 1 1.766 0.008 . 2 . . . . A 35 LYS HB3 . 34912 1 282 . 1 . 1 35 35 LYS HG2 H 1 1.505 0.004 . 2 . . . . A 35 LYS HG2 . 34912 1 283 . 1 . 1 35 35 LYS HG3 H 1 1.505 0.004 . 2 . . . . A 35 LYS HG3 . 34912 1 284 . 1 . 1 35 35 LYS HD2 H 1 1.707 0.009 . 2 . . . . A 35 LYS HD2 . 34912 1 285 . 1 . 1 35 35 LYS HD3 H 1 1.707 0.009 . 2 . . . . A 35 LYS HD3 . 34912 1 286 . 1 . 1 35 35 LYS HE2 H 1 3.025 0.001 . 2 . . . . A 35 LYS HE2 . 34912 1 287 . 1 . 1 35 35 LYS HE3 H 1 3.025 0.001 . 2 . . . . A 35 LYS HE3 . 34912 1 288 . 1 . 1 35 35 LYS CA C 13 56.459 0.012 . 1 . . . . A 35 LYS CA . 34912 1 289 . 1 . 1 35 35 LYS CB C 13 33.145 0.012 . 1 . . . . A 35 LYS CB . 34912 1 290 . 1 . 1 35 35 LYS CG C 13 24.634 0.024 . 1 . . . . A 35 LYS CG . 34912 1 291 . 1 . 1 35 35 LYS CD C 13 29.328 0.008 . 1 . . . . A 35 LYS CD . 34912 1 292 . 1 . 1 35 35 LYS CE C 13 42.111 0.020 . 1 . . . . A 35 LYS CE . 34912 1 293 . 1 . 1 35 35 LYS N N 15 124.455 0.033 . 1 . . . . A 35 LYS N . 34912 1 294 . 1 . 1 36 36 HIS H H 1 8.792 0.002 . 1 . . . . A 36 HIS H . 34912 1 295 . 1 . 1 36 36 HIS HA H 1 4.459 0.009 . 1 . . . . A 36 HIS HA . 34912 1 296 . 1 . 1 36 36 HIS HB2 H 1 3.375 0.006 . 2 . . . . A 36 HIS HB2 . 34912 1 297 . 1 . 1 36 36 HIS HB3 H 1 2.867 0.012 . 2 . . . . A 36 HIS HB3 . 34912 1 298 . 1 . 1 36 36 HIS CA C 13 56.986 0.062 . 1 . . . . A 36 HIS CA . 34912 1 299 . 1 . 1 36 36 HIS CB C 13 30.131 0.117 . 1 . . . . A 36 HIS CB . 34912 1 300 . 1 . 1 36 36 HIS N N 15 123.170 0.013 . 1 . . . . A 36 HIS N . 34912 1 301 . 1 . 1 37 37 ASP H H 1 7.250 0.004 . 1 . . . . A 37 ASP H . 34912 1 302 . 1 . 1 37 37 ASP HA H 1 4.931 0.005 . 1 . . . . A 37 ASP HA . 34912 1 303 . 1 . 1 37 37 ASP HB2 H 1 2.637 0.002 . 2 . . . . A 37 ASP HB2 . 34912 1 304 . 1 . 1 37 37 ASP HB3 H 1 2.430 0.006 . 2 . . . . A 37 ASP HB3 . 34912 1 305 . 1 . 1 37 37 ASP CA C 13 49.189 0.060 . 1 . . . . A 37 ASP CA . 34912 1 306 . 1 . 1 37 37 ASP CB C 13 42.088 0.020 . 1 . . . . A 37 ASP CB . 34912 1 307 . 1 . 1 37 37 ASP N N 15 126.100 0.042 . 1 . . . . A 37 ASP N . 34912 1 308 . 1 . 1 38 38 PRO HA H 1 4.345 0.008 . 1 . . . . A 38 PRO HA . 34912 1 309 . 1 . 1 38 38 PRO HB2 H 1 2.481 0.007 . 2 . . . . A 38 PRO HB2 . 34912 1 310 . 1 . 1 38 38 PRO HB3 H 1 2.098 0.007 . 2 . . . . A 38 PRO HB3 . 34912 1 311 . 1 . 1 38 38 PRO HG2 H 1 1.986 0.009 . 2 . . . . A 38 PRO HG2 . 34912 1 312 . 1 . 1 38 38 PRO HG3 H 1 1.834 0.005 . 2 . . . . A 38 PRO HG3 . 34912 1 313 . 1 . 1 38 38 PRO HD2 H 1 3.778 0.014 . 2 . . . . A 38 PRO HD2 . 34912 1 314 . 1 . 1 38 38 PRO HD3 H 1 3.413 0.010 . 2 . . . . A 38 PRO HD3 . 34912 1 315 . 1 . 1 38 38 PRO CA C 13 64.006 0.085 . 1 . . . . A 38 PRO CA . 34912 1 316 . 1 . 1 38 38 PRO CB C 13 32.424 0.087 . 1 . . . . A 38 PRO CB . 34912 1 317 . 1 . 1 38 38 PRO CG C 13 26.663 0.062 . 1 . . . . A 38 PRO CG . 34912 1 318 . 1 . 1 38 38 PRO CD C 13 51.176 0.064 . 1 . . . . A 38 PRO CD . 34912 1 319 . 1 . 1 39 39 SER H H 1 8.251 0.003 . 1 . . . . A 39 SER H . 34912 1 320 . 1 . 1 39 39 SER HA H 1 4.492 0.007 . 1 . . . . A 39 SER HA . 34912 1 321 . 1 . 1 39 39 SER HB2 H 1 3.975 0.003 . 2 . . . . A 39 SER HB2 . 34912 1 322 . 1 . 1 39 39 SER HB3 H 1 3.881 0.005 . 2 . . . . A 39 SER HB3 . 34912 1 323 . 1 . 1 39 39 SER CA C 13 58.878 0.053 . 1 . . . . A 39 SER CA . 34912 1 324 . 1 . 1 39 39 SER CB C 13 64.304 0.095 . 1 . . . . A 39 SER CB . 34912 1 325 . 1 . 1 39 39 SER N N 15 112.796 0.030 . 1 . . . . A 39 SER N . 34912 1 326 . 1 . 1 40 40 PHE H H 1 7.474 0.002 . 1 . . . . A 40 PHE H . 34912 1 327 . 1 . 1 40 40 PHE HA H 1 4.139 0.002 . 1 . . . . A 40 PHE HA . 34912 1 328 . 1 . 1 40 40 PHE HB2 H 1 2.935 0.006 . 2 . . . . A 40 PHE HB2 . 34912 1 329 . 1 . 1 40 40 PHE HB3 H 1 2.935 0.006 . 2 . . . . A 40 PHE HB3 . 34912 1 330 . 1 . 1 40 40 PHE HD1 H 1 6.977 0.014 . 1 . . . . A 40 PHE HD1 . 34912 1 331 . 1 . 1 40 40 PHE HD2 H 1 6.977 0.014 . 1 . . . . A 40 PHE HD2 . 34912 1 332 . 1 . 1 40 40 PHE CA C 13 59.261 0.015 . 1 . . . . A 40 PHE CA . 34912 1 333 . 1 . 1 40 40 PHE CB C 13 39.032 0.078 . 1 . . . . A 40 PHE CB . 34912 1 334 . 1 . 1 40 40 PHE CD1 C 13 131.245 0.086 . 1 . . . . A 40 PHE CD1 . 34912 1 335 . 1 . 1 40 40 PHE CD2 C 13 131.245 0.086 . 1 . . . . A 40 PHE CD2 . 34912 1 336 . 1 . 1 40 40 PHE N N 15 123.775 0.071 . 1 . . . . A 40 PHE N . 34912 1 337 . 1 . 1 41 41 VAL H H 1 7.634 0.004 . 1 . . . . A 41 VAL H . 34912 1 338 . 1 . 1 41 41 VAL HA H 1 3.675 0.020 . 1 . . . . A 41 VAL HA . 34912 1 339 . 1 . 1 41 41 VAL HB H 1 1.662 0.020 . 1 . . . . A 41 VAL HB . 34912 1 340 . 1 . 1 41 41 VAL HG11 H 1 0.849 0.020 . 2 . . . . A 41 VAL HG11 . 34912 1 341 . 1 . 1 41 41 VAL HG12 H 1 0.849 0.020 . 2 . . . . A 41 VAL HG12 . 34912 1 342 . 1 . 1 41 41 VAL HG13 H 1 0.849 0.020 . 2 . . . . A 41 VAL HG13 . 34912 1 343 . 1 . 1 41 41 VAL HG21 H 1 0.849 0.020 . 2 . . . . A 41 VAL HG21 . 34912 1 344 . 1 . 1 41 41 VAL HG22 H 1 0.849 0.020 . 2 . . . . A 41 VAL HG22 . 34912 1 345 . 1 . 1 41 41 VAL HG23 H 1 0.849 0.020 . 2 . . . . A 41 VAL HG23 . 34912 1 346 . 1 . 1 41 41 VAL CA C 13 60.302 0.045 . 1 . . . . A 41 VAL CA . 34912 1 347 . 1 . 1 41 41 VAL CB C 13 34.081 0.048 . 1 . . . . A 41 VAL CB . 34912 1 348 . 1 . 1 41 41 VAL CG1 C 13 21.492 0.200 . 1 . . . . A 41 VAL CG1 . 34912 1 349 . 1 . 1 41 41 VAL CG2 C 13 21.492 0.200 . 1 . . . . A 41 VAL CG2 . 34912 1 350 . 1 . 1 41 41 VAL N N 15 129.445 0.034 . 1 . . . . A 41 VAL N . 34912 1 351 . 1 . 1 42 42 GLN H H 1 7.920 0.006 . 1 . . . . A 42 GLN H . 34912 1 352 . 1 . 1 42 42 GLN HA H 1 4.419 0.011 . 1 . . . . A 42 GLN HA . 34912 1 353 . 1 . 1 42 42 GLN HB2 H 1 2.264 0.011 . 2 . . . . A 42 GLN HB2 . 34912 1 354 . 1 . 1 42 42 GLN HB3 H 1 1.927 0.002 . 2 . . . . A 42 GLN HB3 . 34912 1 355 . 1 . 1 42 42 GLN HG2 H 1 2.267 0.020 . 2 . . . . A 42 GLN HG2 . 34912 1 356 . 1 . 1 42 42 GLN HG3 H 1 2.267 0.020 . 2 . . . . A 42 GLN HG3 . 34912 1 357 . 1 . 1 42 42 GLN CA C 13 52.249 0.093 . 1 . . . . A 42 GLN CA . 34912 1 358 . 1 . 1 42 42 GLN CB C 13 28.322 0.098 . 1 . . . . A 42 GLN CB . 34912 1 359 . 1 . 1 42 42 GLN CG C 13 36.159 0.200 . 1 . . . . A 42 GLN CG . 34912 1 360 . 1 . 1 42 42 GLN N N 15 131.321 0.053 . 1 . . . . A 42 GLN N . 34912 1 361 . 1 . 1 43 43 PRO HA H 1 4.254 0.016 . 1 . . . . A 43 PRO HA . 34912 1 362 . 1 . 1 43 43 PRO HB2 H 1 2.267 0.005 . 2 . . . . A 43 PRO HB2 . 34912 1 363 . 1 . 1 43 43 PRO HB3 H 1 1.788 0.013 . 2 . . . . A 43 PRO HB3 . 34912 1 364 . 1 . 1 43 43 PRO HG2 H 1 2.031 0.004 . 2 . . . . A 43 PRO HG2 . 34912 1 365 . 1 . 1 43 43 PRO HG3 H 1 1.900 0.013 . 2 . . . . A 43 PRO HG3 . 34912 1 366 . 1 . 1 43 43 PRO HD2 H 1 3.780 0.013 . 2 . . . . A 43 PRO HD2 . 34912 1 367 . 1 . 1 43 43 PRO HD3 H 1 3.421 0.006 . 2 . . . . A 43 PRO HD3 . 34912 1 368 . 1 . 1 43 43 PRO CA C 13 63.948 0.154 . 1 . . . . A 43 PRO CA . 34912 1 369 . 1 . 1 43 43 PRO CB C 13 32.103 0.087 . 1 . . . . A 43 PRO CB . 34912 1 370 . 1 . 1 43 43 PRO CG C 13 27.690 0.114 . 1 . . . . A 43 PRO CG . 34912 1 371 . 1 . 1 43 43 PRO CD C 13 50.815 0.133 . 1 . . . . A 43 PRO CD . 34912 1 372 . 1 . 1 44 44 GLY HA2 H 1 4.067 0.013 . 2 . . . . A 44 GLY HA2 . 34912 1 373 . 1 . 1 44 44 GLY HA3 H 1 3.637 0.002 . 2 . . . . A 44 GLY HA3 . 34912 1 374 . 1 . 1 44 44 GLY CA C 13 45.197 0.070 . 1 . . . . A 44 GLY CA . 34912 1 375 . 1 . 1 45 45 ASN H H 1 7.761 0.004 . 1 . . . . A 45 ASN H . 34912 1 376 . 1 . 1 45 45 ASN HA H 1 3.239 0.004 . 1 . . . . A 45 ASN HA . 34912 1 377 . 1 . 1 45 45 ASN HB2 H 1 3.168 0.020 . 2 . . . . A 45 ASN HB2 . 34912 1 378 . 1 . 1 45 45 ASN HB3 H 1 2.855 0.006 . 2 . . . . A 45 ASN HB3 . 34912 1 379 . 1 . 1 45 45 ASN CA C 13 53.005 0.200 . 1 . . . . A 45 ASN CA . 34912 1 380 . 1 . 1 45 45 ASN CB C 13 37.328 0.200 . 1 . . . . A 45 ASN CB . 34912 1 381 . 1 . 1 45 45 ASN N N 15 116.256 0.019 . 1 . . . . A 45 ASN N . 34912 1 382 . 1 . 1 46 46 ARG H H 1 6.292 0.004 . 1 . . . . A 46 ARG H . 34912 1 383 . 1 . 1 46 46 ARG HA H 1 4.385 0.009 . 1 . . . . A 46 ARG HA . 34912 1 384 . 1 . 1 46 46 ARG HB2 H 1 2.002 0.011 . 2 . . . . A 46 ARG HB2 . 34912 1 385 . 1 . 1 46 46 ARG HB3 H 1 1.235 0.020 . 2 . . . . A 46 ARG HB3 . 34912 1 386 . 1 . 1 46 46 ARG HG2 H 1 1.392 0.020 . 2 . . . . A 46 ARG HG2 . 34912 1 387 . 1 . 1 46 46 ARG HG3 H 1 1.392 0.020 . 2 . . . . A 46 ARG HG3 . 34912 1 388 . 1 . 1 46 46 ARG HD2 H 1 3.027 0.001 . 2 . . . . A 46 ARG HD2 . 34912 1 389 . 1 . 1 46 46 ARG HD3 H 1 3.027 0.001 . 2 . . . . A 46 ARG HD3 . 34912 1 390 . 1 . 1 46 46 ARG CA C 13 54.909 0.200 . 1 . . . . A 46 ARG CA . 34912 1 391 . 1 . 1 46 46 ARG CB C 13 29.793 0.025 . 1 . . . . A 46 ARG CB . 34912 1 392 . 1 . 1 46 46 ARG CG C 13 27.088 0.200 . 1 . . . . A 46 ARG CG . 34912 1 393 . 1 . 1 46 46 ARG CD C 13 42.947 0.200 . 1 . . . . A 46 ARG CD . 34912 1 394 . 1 . 1 46 46 ARG N N 15 125.249 0.012 . 1 . . . . A 46 ARG N . 34912 1 395 . 1 . 1 47 47 HIS H H 1 7.654 0.004 . 1 . . . . A 47 HIS H . 34912 1 396 . 1 . 1 47 47 HIS HA H 1 4.468 0.003 . 1 . . . . A 47 HIS HA . 34912 1 397 . 1 . 1 47 47 HIS HB2 H 1 3.200 0.040 . 2 . . . . A 47 HIS HB2 . 34912 1 398 . 1 . 1 47 47 HIS HB3 H 1 3.200 0.040 . 2 . . . . A 47 HIS HB3 . 34912 1 399 . 1 . 1 47 47 HIS CA C 13 56.425 0.015 . 1 . . . . A 47 HIS CA . 34912 1 400 . 1 . 1 47 47 HIS CB C 13 31.843 0.066 . 1 . . . . A 47 HIS CB . 34912 1 401 . 1 . 1 47 47 HIS N N 15 120.057 0.040 . 1 . . . . A 47 HIS N . 34912 1 402 . 1 . 1 48 48 TYR H H 1 8.420 0.003 . 1 . . . . A 48 TYR H . 34912 1 403 . 1 . 1 48 48 TYR HA H 1 4.100 0.005 . 1 . . . . A 48 TYR HA . 34912 1 404 . 1 . 1 48 48 TYR HB2 H 1 2.870 0.005 . 2 . . . . A 48 TYR HB2 . 34912 1 405 . 1 . 1 48 48 TYR HB3 H 1 2.748 0.005 . 2 . . . . A 48 TYR HB3 . 34912 1 406 . 1 . 1 48 48 TYR HD1 H 1 7.139 0.020 . 1 . . . . A 48 TYR HD1 . 34912 1 407 . 1 . 1 48 48 TYR HD2 H 1 7.139 0.020 . 1 . . . . A 48 TYR HD2 . 34912 1 408 . 1 . 1 48 48 TYR HE1 H 1 6.956 0.020 . 1 . . . . A 48 TYR HE1 . 34912 1 409 . 1 . 1 48 48 TYR HE2 H 1 6.956 0.020 . 1 . . . . A 48 TYR HE2 . 34912 1 410 . 1 . 1 48 48 TYR CA C 13 58.579 0.032 . 1 . . . . A 48 TYR CA . 34912 1 411 . 1 . 1 48 48 TYR CB C 13 37.851 0.062 . 1 . . . . A 48 TYR CB . 34912 1 412 . 1 . 1 48 48 TYR CD1 C 13 133.056 0.200 . 1 . . . . A 48 TYR CD1 . 34912 1 413 . 1 . 1 48 48 TYR CD2 C 13 133.056 0.200 . 1 . . . . A 48 TYR CD2 . 34912 1 414 . 1 . 1 48 48 TYR CE1 C 13 118.356 0.200 . 1 . . . . A 48 TYR CE1 . 34912 1 415 . 1 . 1 48 48 TYR CE2 C 13 118.356 0.200 . 1 . . . . A 48 TYR CE2 . 34912 1 416 . 1 . 1 48 48 TYR N N 15 121.672 0.017 . 1 . . . . A 48 TYR N . 34912 1 417 . 1 . 1 49 49 LYS H H 1 7.704 0.005 . 1 . . . . A 49 LYS H . 34912 1 418 . 1 . 1 49 49 LYS HA H 1 1.430 0.004 . 1 . . . . A 49 LYS HA . 34912 1 419 . 1 . 1 49 49 LYS HB2 H 1 0.887 0.009 . 2 . . . . A 49 LYS HB2 . 34912 1 420 . 1 . 1 49 49 LYS HB3 H 1 0.535 0.008 . 2 . . . . A 49 LYS HB3 . 34912 1 421 . 1 . 1 49 49 LYS HG2 H 1 0.093 0.004 . 2 . . . . A 49 LYS HG2 . 34912 1 422 . 1 . 1 49 49 LYS HG3 H 1 -0.585 0.004 . 2 . . . . A 49 LYS HG3 . 34912 1 423 . 1 . 1 49 49 LYS HD2 H 1 1.172 0.020 . 2 . . . . A 49 LYS HD2 . 34912 1 424 . 1 . 1 49 49 LYS HD3 H 1 1.109 0.006 . 2 . . . . A 49 LYS HD3 . 34912 1 425 . 1 . 1 49 49 LYS HE2 H 1 2.685 0.008 . 2 . . . . A 49 LYS HE2 . 34912 1 426 . 1 . 1 49 49 LYS HE3 H 1 2.540 0.021 . 2 . . . . A 49 LYS HE3 . 34912 1 427 . 1 . 1 49 49 LYS CA C 13 58.818 0.033 . 1 . . . . A 49 LYS CA . 34912 1 428 . 1 . 1 49 49 LYS CB C 13 31.687 0.092 . 1 . . . . A 49 LYS CB . 34912 1 429 . 1 . 1 49 49 LYS CG C 13 24.221 0.166 . 1 . . . . A 49 LYS CG . 34912 1 430 . 1 . 1 49 49 LYS CD C 13 29.517 0.128 . 1 . . . . A 49 LYS CD . 34912 1 431 . 1 . 1 49 49 LYS CE C 13 41.794 0.061 . 1 . . . . A 49 LYS CE . 34912 1 432 . 1 . 1 49 49 LYS N N 15 124.864 0.047 . 1 . . . . A 49 LYS N . 34912 1 433 . 1 . 1 50 50 TYR H H 1 9.808 0.010 . 1 . . . . A 50 TYR H . 34912 1 434 . 1 . 1 50 50 TYR HA H 1 4.636 0.010 . 1 . . . . A 50 TYR HA . 34912 1 435 . 1 . 1 50 50 TYR CA C 13 55.554 0.005 . 1 . . . . A 50 TYR CA . 34912 1 436 . 1 . 1 50 50 TYR N N 15 120.172 0.200 . 1 . . . . A 50 TYR N . 34912 1 437 . 1 . 1 51 51 GLN H H 1 7.541 0.004 . 1 . . . . A 51 GLN H . 34912 1 438 . 1 . 1 51 51 GLN HA H 1 5.325 0.004 . 1 . . . . A 51 GLN HA . 34912 1 439 . 1 . 1 51 51 GLN HB2 H 1 2.521 0.010 . 2 . . . . A 51 GLN HB2 . 34912 1 440 . 1 . 1 51 51 GLN HB3 H 1 2.391 0.013 . 2 . . . . A 51 GLN HB3 . 34912 1 441 . 1 . 1 51 51 GLN HG2 H 1 2.612 0.020 . 2 . . . . A 51 GLN HG2 . 34912 1 442 . 1 . 1 51 51 GLN HG3 H 1 2.484 0.020 . 2 . . . . A 51 GLN HG3 . 34912 1 443 . 1 . 1 51 51 GLN HE21 H 1 7.522 0.004 . 2 . . . . A 51 GLN HE21 . 34912 1 444 . 1 . 1 51 51 GLN HE22 H 1 6.756 0.004 . 2 . . . . A 51 GLN HE22 . 34912 1 445 . 1 . 1 51 51 GLN CA C 13 54.376 0.037 . 1 . . . . A 51 GLN CA . 34912 1 446 . 1 . 1 51 51 GLN CB C 13 29.831 0.201 . 1 . . . . A 51 GLN CB . 34912 1 447 . 1 . 1 51 51 GLN CG C 13 34.992 0.031 . 1 . . . . A 51 GLN CG . 34912 1 448 . 1 . 1 51 51 GLN N N 15 116.621 0.056 . 1 . . . . A 51 GLN N . 34912 1 449 . 1 . 1 51 51 GLN NE2 N 15 112.873 0.049 . 1 . . . . A 51 GLN NE2 . 34912 1 450 . 1 . 1 52 52 CYS H H 1 8.261 0.003 . 1 . . . . A 52 CYS H . 34912 1 451 . 1 . 1 52 52 CYS HA H 1 4.742 0.003 . 1 . . . . A 52 CYS HA . 34912 1 452 . 1 . 1 52 52 CYS CA C 13 60.285 0.042 . 1 . . . . A 52 CYS CA . 34912 1 453 . 1 . 1 52 52 CYS N N 15 114.707 0.056 . 1 . . . . A 52 CYS N . 34912 1 454 . 1 . 1 53 53 THR H H 1 7.553 0.004 . 1 . . . . A 53 THR H . 34912 1 455 . 1 . 1 53 53 THR HA H 1 3.490 0.020 . 1 . . . . A 53 THR HA . 34912 1 456 . 1 . 1 53 53 THR HB H 1 2.861 0.020 . 1 . . . . A 53 THR HB . 34912 1 457 . 1 . 1 53 53 THR HG21 H 1 1.368 0.020 . 1 . . . . A 53 THR HG21 . 34912 1 458 . 1 . 1 53 53 THR HG22 H 1 1.368 0.020 . 1 . . . . A 53 THR HG22 . 34912 1 459 . 1 . 1 53 53 THR HG23 H 1 1.368 0.020 . 1 . . . . A 53 THR HG23 . 34912 1 460 . 1 . 1 53 53 THR CA C 13 62.637 0.200 . 1 . . . . A 53 THR CA . 34912 1 461 . 1 . 1 53 53 THR CB C 13 67.294 0.200 . 1 . . . . A 53 THR CB . 34912 1 462 . 1 . 1 53 53 THR CG2 C 13 24.030 0.200 . 1 . . . . A 53 THR CG2 . 34912 1 463 . 1 . 1 53 53 THR N N 15 115.529 0.021 . 1 . . . . A 53 THR N . 34912 1 464 . 1 . 1 54 54 TRP H H 1 6.780 0.009 . 1 . . . . A 54 TRP H . 34912 1 465 . 1 . 1 54 54 TRP HA H 1 4.227 0.020 . 1 . . . . A 54 TRP HA . 34912 1 466 . 1 . 1 54 54 TRP HB2 H 1 3.619 0.020 . 2 . . . . A 54 TRP HB2 . 34912 1 467 . 1 . 1 54 54 TRP HB3 H 1 3.257 0.020 . 2 . . . . A 54 TRP HB3 . 34912 1 468 . 1 . 1 54 54 TRP HD1 H 1 7.145 0.002 . 1 . . . . A 54 TRP HD1 . 34912 1 469 . 1 . 1 54 54 TRP HE1 H 1 10.950 0.002 . 1 . . . . A 54 TRP HE1 . 34912 1 470 . 1 . 1 54 54 TRP HZ2 H 1 7.490 0.020 . 1 . . . . A 54 TRP HZ2 . 34912 1 471 . 1 . 1 54 54 TRP CA C 13 61.031 0.200 . 1 . . . . A 54 TRP CA . 34912 1 472 . 1 . 1 54 54 TRP CB C 13 29.959 0.006 . 1 . . . . A 54 TRP CB . 34912 1 473 . 1 . 1 54 54 TRP CD1 C 13 130.365 0.038 . 1 . . . . A 54 TRP CD1 . 34912 1 474 . 1 . 1 54 54 TRP CZ2 C 13 115.663 0.200 . 1 . . . . A 54 TRP CZ2 . 34912 1 475 . 1 . 1 54 54 TRP N N 15 122.739 0.037 . 1 . . . . A 54 TRP N . 34912 1 476 . 1 . 1 54 54 TRP NE1 N 15 132.821 0.051 . 1 . . . . A 54 TRP NE1 . 34912 1 477 . 1 . 1 55 55 TYR H H 1 8.026 0.006 . 1 . . . . A 55 TYR H . 34912 1 478 . 1 . 1 55 55 TYR HA H 1 3.957 0.004 . 1 . . . . A 55 TYR HA . 34912 1 479 . 1 . 1 55 55 TYR HB2 H 1 2.875 0.006 . 2 . . . . A 55 TYR HB2 . 34912 1 480 . 1 . 1 55 55 TYR HB3 H 1 2.875 0.006 . 2 . . . . A 55 TYR HB3 . 34912 1 481 . 1 . 1 55 55 TYR HD1 H 1 7.422 0.020 . 1 . . . . A 55 TYR HD1 . 34912 1 482 . 1 . 1 55 55 TYR HD2 H 1 7.422 0.020 . 1 . . . . A 55 TYR HD2 . 34912 1 483 . 1 . 1 55 55 TYR CA C 13 60.785 0.081 . 1 . . . . A 55 TYR CA . 34912 1 484 . 1 . 1 55 55 TYR CB C 13 38.785 0.013 . 1 . . . . A 55 TYR CB . 34912 1 485 . 1 . 1 55 55 TYR CD1 C 13 133.060 0.200 . 1 . . . . A 55 TYR CD1 . 34912 1 486 . 1 . 1 55 55 TYR CD2 C 13 133.060 0.200 . 1 . . . . A 55 TYR CD2 . 34912 1 487 . 1 . 1 55 55 TYR N N 15 115.986 0.068 . 1 . . . . A 55 TYR N . 34912 1 488 . 1 . 1 56 56 ALA H H 1 7.961 0.006 . 1 . . . . A 56 ALA H . 34912 1 489 . 1 . 1 56 56 ALA HA H 1 3.469 0.015 . 1 . . . . A 56 ALA HA . 34912 1 490 . 1 . 1 56 56 ALA HB1 H 1 1.495 0.020 . 1 . . . . A 56 ALA HB1 . 34912 1 491 . 1 . 1 56 56 ALA HB2 H 1 1.495 0.020 . 1 . . . . A 56 ALA HB2 . 34912 1 492 . 1 . 1 56 56 ALA HB3 H 1 1.495 0.020 . 1 . . . . A 56 ALA HB3 . 34912 1 493 . 1 . 1 56 56 ALA CA C 13 56.197 0.088 . 1 . . . . A 56 ALA CA . 34912 1 494 . 1 . 1 56 56 ALA CB C 13 18.635 0.071 . 1 . . . . A 56 ALA CB . 34912 1 495 . 1 . 1 56 56 ALA N N 15 120.736 0.035 . 1 . . . . A 56 ALA N . 34912 1 496 . 1 . 1 57 57 TYR H H 1 8.349 0.006 . 1 . . . . A 57 TYR H . 34912 1 497 . 1 . 1 57 57 TYR HA H 1 3.831 0.003 . 1 . . . . A 57 TYR HA . 34912 1 498 . 1 . 1 57 57 TYR HB2 H 1 3.205 0.008 . 2 . . . . A 57 TYR HB2 . 34912 1 499 . 1 . 1 57 57 TYR HB3 H 1 2.999 0.003 . 2 . . . . A 57 TYR HB3 . 34912 1 500 . 1 . 1 57 57 TYR HD1 H 1 6.861 0.020 . 1 . . . . A 57 TYR HD1 . 34912 1 501 . 1 . 1 57 57 TYR HD2 H 1 6.861 0.020 . 1 . . . . A 57 TYR HD2 . 34912 1 502 . 1 . 1 57 57 TYR HE1 H 1 6.441 0.006 . 1 . . . . A 57 TYR HE1 . 34912 1 503 . 1 . 1 57 57 TYR HE2 H 1 6.441 0.006 . 1 . . . . A 57 TYR HE2 . 34912 1 504 . 1 . 1 57 57 TYR CA C 13 61.778 0.109 . 1 . . . . A 57 TYR CA . 34912 1 505 . 1 . 1 57 57 TYR CB C 13 39.606 0.127 . 1 . . . . A 57 TYR CB . 34912 1 506 . 1 . 1 57 57 TYR CD1 C 13 132.696 0.088 . 1 . . . . A 57 TYR CD1 . 34912 1 507 . 1 . 1 57 57 TYR CD2 C 13 132.696 0.088 . 1 . . . . A 57 TYR CD2 . 34912 1 508 . 1 . 1 57 57 TYR CE1 C 13 117.040 0.067 . 1 . . . . A 57 TYR CE1 . 34912 1 509 . 1 . 1 57 57 TYR CE2 C 13 117.040 0.067 . 1 . . . . A 57 TYR CE2 . 34912 1 510 . 1 . 1 57 57 TYR N N 15 115.529 0.053 . 1 . . . . A 57 TYR N . 34912 1 511 . 1 . 1 58 58 ASN H H 1 7.368 0.003 . 1 . . . . A 58 ASN H . 34912 1 512 . 1 . 1 58 58 ASN HA H 1 4.501 0.002 . 1 . . . . A 58 ASN HA . 34912 1 513 . 1 . 1 58 58 ASN HB2 H 1 2.797 0.020 . 2 . . . . A 58 ASN HB2 . 34912 1 514 . 1 . 1 58 58 ASN HB3 H 1 2.622 0.008 . 2 . . . . A 58 ASN HB3 . 34912 1 515 . 1 . 1 58 58 ASN HD21 H 1 6.958 0.003 . 2 . . . . A 58 ASN HD21 . 34912 1 516 . 1 . 1 58 58 ASN HD22 H 1 6.958 0.003 . 2 . . . . A 58 ASN HD22 . 34912 1 517 . 1 . 1 58 58 ASN CA C 13 56.112 0.062 . 1 . . . . A 58 ASN CA . 34912 1 518 . 1 . 1 58 58 ASN CB C 13 37.466 0.200 . 1 . . . . A 58 ASN CB . 34912 1 519 . 1 . 1 58 58 ASN N N 15 119.322 0.032 . 1 . . . . A 58 ASN N . 34912 1 520 . 1 . 1 58 58 ASN ND2 N 15 110.016 0.011 . 1 . . . . A 58 ASN ND2 . 34912 1 521 . 1 . 1 59 59 ARG H H 1 8.719 0.013 . 1 . . . . A 59 ARG H . 34912 1 522 . 1 . 1 59 59 ARG HA H 1 3.751 0.003 . 1 . . . . A 59 ARG HA . 34912 1 523 . 1 . 1 59 59 ARG HB2 H 1 0.878 0.004 . 2 . . . . A 59 ARG HB2 . 34912 1 524 . 1 . 1 59 59 ARG HB3 H 1 0.768 0.005 . 2 . . . . A 59 ARG HB3 . 34912 1 525 . 1 . 1 59 59 ARG HG2 H 1 0.405 0.020 . 2 . . . . A 59 ARG HG2 . 34912 1 526 . 1 . 1 59 59 ARG HG3 H 1 -0.254 0.013 . 2 . . . . A 59 ARG HG3 . 34912 1 527 . 1 . 1 59 59 ARG HE H 1 6.804 0.020 . 1 . . . . A 59 ARG HE . 34912 1 528 . 1 . 1 59 59 ARG CA C 13 57.531 0.020 . 1 . . . . A 59 ARG CA . 34912 1 529 . 1 . 1 59 59 ARG CB C 13 29.673 0.152 . 1 . . . . A 59 ARG CB . 34912 1 530 . 1 . 1 59 59 ARG CG C 13 25.085 0.200 . 1 . . . . A 59 ARG CG . 34912 1 531 . 1 . 1 59 59 ARG N N 15 123.183 0.057 . 1 . . . . A 59 ARG N . 34912 1 532 . 1 . 1 59 59 ARG NE N 15 85.027 0.200 . 1 . . . . A 59 ARG NE . 34912 1 533 . 1 . 1 60 60 ARG H H 1 7.648 0.004 . 1 . . . . A 60 ARG H . 34912 1 534 . 1 . 1 60 60 ARG HA H 1 3.740 0.003 . 1 . . . . A 60 ARG HA . 34912 1 535 . 1 . 1 60 60 ARG HB2 H 1 1.822 0.020 . 2 . . . . A 60 ARG HB2 . 34912 1 536 . 1 . 1 60 60 ARG HB3 H 1 1.516 0.020 . 2 . . . . A 60 ARG HB3 . 34912 1 537 . 1 . 1 60 60 ARG HG2 H 1 2.431 0.003 . 2 . . . . A 60 ARG HG2 . 34912 1 538 . 1 . 1 60 60 ARG HG3 H 1 1.806 0.020 . 2 . . . . A 60 ARG HG3 . 34912 1 539 . 1 . 1 60 60 ARG CA C 13 56.292 0.118 . 1 . . . . A 60 ARG CA . 34912 1 540 . 1 . 1 60 60 ARG CB C 13 29.169 0.080 . 1 . . . . A 60 ARG CB . 34912 1 541 . 1 . 1 60 60 ARG CG C 13 27.322 0.028 . 1 . . . . A 60 ARG CG . 34912 1 542 . 1 . 1 60 60 ARG N N 15 113.358 0.058 . 1 . . . . A 60 ARG N . 34912 1 543 . 1 . 1 61 61 GLY H H 1 7.306 0.003 . 1 . . . . A 61 GLY H . 34912 1 544 . 1 . 1 61 61 GLY HA2 H 1 3.599 0.006 . 2 . . . . A 61 GLY HA2 . 34912 1 545 . 1 . 1 61 61 GLY HA3 H 1 3.249 0.011 . 2 . . . . A 61 GLY HA3 . 34912 1 546 . 1 . 1 61 61 GLY CA C 13 47.733 0.111 . 1 . . . . A 61 GLY CA . 34912 1 547 . 1 . 1 61 61 GLY N N 15 105.022 0.008 . 1 . . . . A 61 GLY N . 34912 1 548 . 1 . 1 62 62 GLN H H 1 8.899 0.009 . 1 . . . . A 62 GLN H . 34912 1 549 . 1 . 1 62 62 GLN HA H 1 2.637 0.020 . 1 . . . . A 62 GLN HA . 34912 1 550 . 1 . 1 62 62 GLN HB2 H 1 1.703 0.020 . 2 . . . . A 62 GLN HB2 . 34912 1 551 . 1 . 1 62 62 GLN HB3 H 1 1.601 0.020 . 2 . . . . A 62 GLN HB3 . 34912 1 552 . 1 . 1 62 62 GLN HG2 H 1 1.815 0.020 . 2 . . . . A 62 GLN HG2 . 34912 1 553 . 1 . 1 62 62 GLN HG3 H 1 1.640 0.020 . 2 . . . . A 62 GLN HG3 . 34912 1 554 . 1 . 1 62 62 GLN HE21 H 1 7.645 0.002 . 2 . . . . A 62 GLN HE21 . 34912 1 555 . 1 . 1 62 62 GLN HE22 H 1 7.314 0.008 . 2 . . . . A 62 GLN HE22 . 34912 1 556 . 1 . 1 62 62 GLN CA C 13 58.038 0.200 . 1 . . . . A 62 GLN CA . 34912 1 557 . 1 . 1 62 62 GLN CB C 13 27.669 0.089 . 1 . . . . A 62 GLN CB . 34912 1 558 . 1 . 1 62 62 GLN CG C 13 31.904 0.009 . 1 . . . . A 62 GLN CG . 34912 1 559 . 1 . 1 62 62 GLN N N 15 124.406 0.071 . 1 . . . . A 62 GLN N . 34912 1 560 . 1 . 1 62 62 GLN NE2 N 15 111.992 0.043 . 1 . . . . A 62 GLN NE2 . 34912 1 561 . 1 . 1 63 63 LEU H H 1 6.604 0.005 . 1 . . . . A 63 LEU H . 34912 1 562 . 1 . 1 63 63 LEU HA H 1 4.266 0.003 . 1 . . . . A 63 LEU HA . 34912 1 563 . 1 . 1 63 63 LEU HB2 H 1 1.829 0.001 . 2 . . . . A 63 LEU HB2 . 34912 1 564 . 1 . 1 63 63 LEU HB3 H 1 1.579 0.001 . 2 . . . . A 63 LEU HB3 . 34912 1 565 . 1 . 1 63 63 LEU HG H 1 1.526 0.001 . 1 . . . . A 63 LEU HG . 34912 1 566 . 1 . 1 63 63 LEU HD11 H 1 0.774 0.020 . 2 . . . . A 63 LEU HD11 . 34912 1 567 . 1 . 1 63 63 LEU HD12 H 1 0.774 0.020 . 2 . . . . A 63 LEU HD12 . 34912 1 568 . 1 . 1 63 63 LEU HD13 H 1 0.774 0.020 . 2 . . . . A 63 LEU HD13 . 34912 1 569 . 1 . 1 63 63 LEU HD21 H 1 0.609 0.020 . 2 . . . . A 63 LEU HD21 . 34912 1 570 . 1 . 1 63 63 LEU HD22 H 1 0.609 0.020 . 2 . . . . A 63 LEU HD22 . 34912 1 571 . 1 . 1 63 63 LEU HD23 H 1 0.609 0.020 . 2 . . . . A 63 LEU HD23 . 34912 1 572 . 1 . 1 63 63 LEU CA C 13 53.393 0.200 . 1 . . . . A 63 LEU CA . 34912 1 573 . 1 . 1 63 63 LEU CB C 13 42.454 0.002 . 1 . . . . A 63 LEU CB . 34912 1 574 . 1 . 1 63 63 LEU CG C 13 27.132 0.200 . 1 . . . . A 63 LEU CG . 34912 1 575 . 1 . 1 63 63 LEU CD1 C 13 28.974 0.200 . 1 . . . . A 63 LEU CD1 . 34912 1 576 . 1 . 1 63 63 LEU CD2 C 13 23.072 0.200 . 1 . . . . A 63 LEU CD2 . 34912 1 577 . 1 . 1 63 63 LEU N N 15 113.579 0.074 . 1 . . . . A 63 LEU N . 34912 1 578 . 1 . 1 64 64 GLY H H 1 7.787 0.002 . 1 . . . . A 64 GLY H . 34912 1 579 . 1 . 1 64 64 GLY HA2 H 1 4.091 0.004 . 2 . . . . A 64 GLY HA2 . 34912 1 580 . 1 . 1 64 64 GLY HA3 H 1 3.894 0.003 . 2 . . . . A 64 GLY HA3 . 34912 1 581 . 1 . 1 64 64 GLY CA C 13 45.665 0.042 . 1 . . . . A 64 GLY CA . 34912 1 582 . 1 . 1 64 64 GLY N N 15 106.079 0.035 . 1 . . . . A 64 GLY N . 34912 1 583 . 1 . 1 65 65 ILE H H 1 7.748 0.004 . 1 . . . . A 65 ILE H . 34912 1 584 . 1 . 1 65 65 ILE HA H 1 4.885 0.010 . 1 . . . . A 65 ILE HA . 34912 1 585 . 1 . 1 65 65 ILE HB H 1 1.952 0.004 . 1 . . . . A 65 ILE HB . 34912 1 586 . 1 . 1 65 65 ILE HG12 H 1 1.830 0.002 . 2 . . . . A 65 ILE HG12 . 34912 1 587 . 1 . 1 65 65 ILE HG13 H 1 0.932 0.004 . 2 . . . . A 65 ILE HG13 . 34912 1 588 . 1 . 1 65 65 ILE HG21 H 1 0.866 0.003 . 1 . . . . A 65 ILE HG21 . 34912 1 589 . 1 . 1 65 65 ILE HG22 H 1 0.866 0.003 . 1 . . . . A 65 ILE HG22 . 34912 1 590 . 1 . 1 65 65 ILE HG23 H 1 0.866 0.003 . 1 . . . . A 65 ILE HG23 . 34912 1 591 . 1 . 1 65 65 ILE HD11 H 1 1.024 0.020 . 1 . . . . A 65 ILE HD11 . 34912 1 592 . 1 . 1 65 65 ILE HD12 H 1 1.024 0.020 . 1 . . . . A 65 ILE HD12 . 34912 1 593 . 1 . 1 65 65 ILE HD13 H 1 1.024 0.020 . 1 . . . . A 65 ILE HD13 . 34912 1 594 . 1 . 1 65 65 ILE CA C 13 57.720 0.072 . 1 . . . . A 65 ILE CA . 34912 1 595 . 1 . 1 65 65 ILE CB C 13 38.317 0.077 . 1 . . . . A 65 ILE CB . 34912 1 596 . 1 . 1 65 65 ILE CG1 C 13 26.437 0.050 . 1 . . . . A 65 ILE CG1 . 34912 1 597 . 1 . 1 65 65 ILE CG2 C 13 18.789 0.034 . 1 . . . . A 65 ILE CG2 . 34912 1 598 . 1 . 1 65 65 ILE CD1 C 13 15.434 0.065 . 1 . . . . A 65 ILE CD1 . 34912 1 599 . 1 . 1 65 65 ILE N N 15 112.080 0.029 . 1 . . . . A 65 ILE N . 34912 1 600 . 1 . 1 66 66 PRO HA H 1 3.838 0.020 . 1 . . . . A 66 PRO HA . 34912 1 601 . 1 . 1 66 66 PRO HB2 H 1 1.630 0.020 . 2 . . . . A 66 PRO HB2 . 34912 1 602 . 1 . 1 66 66 PRO HB3 H 1 0.576 0.020 . 2 . . . . A 66 PRO HB3 . 34912 1 603 . 1 . 1 66 66 PRO HG2 H 1 1.816 0.020 . 2 . . . . A 66 PRO HG2 . 34912 1 604 . 1 . 1 66 66 PRO HG3 H 1 1.727 0.007 . 2 . . . . A 66 PRO HG3 . 34912 1 605 . 1 . 1 66 66 PRO HD2 H 1 3.469 0.009 . 2 . . . . A 66 PRO HD2 . 34912 1 606 . 1 . 1 66 66 PRO HD3 H 1 3.215 0.008 . 2 . . . . A 66 PRO HD3 . 34912 1 607 . 1 . 1 66 66 PRO CA C 13 63.574 0.200 . 1 . . . . A 66 PRO CA . 34912 1 608 . 1 . 1 66 66 PRO CB C 13 33.007 0.200 . 1 . . . . A 66 PRO CB . 34912 1 609 . 1 . 1 66 66 PRO CG C 13 27.098 0.096 . 1 . . . . A 66 PRO CG . 34912 1 610 . 1 . 1 66 66 PRO CD C 13 51.137 0.035 . 1 . . . . A 66 PRO CD . 34912 1 611 . 1 . 1 67 67 VAL H H 1 8.142 0.005 . 1 . . . . A 67 VAL H . 34912 1 612 . 1 . 1 67 67 VAL HA H 1 4.351 0.007 . 1 . . . . A 67 VAL HA . 34912 1 613 . 1 . 1 67 67 VAL HB H 1 0.966 0.001 . 1 . . . . A 67 VAL HB . 34912 1 614 . 1 . 1 67 67 VAL HG11 H 1 0.744 0.003 . 2 . . . . A 67 VAL HG11 . 34912 1 615 . 1 . 1 67 67 VAL HG12 H 1 0.744 0.003 . 2 . . . . A 67 VAL HG12 . 34912 1 616 . 1 . 1 67 67 VAL HG13 H 1 0.744 0.003 . 2 . . . . A 67 VAL HG13 . 34912 1 617 . 1 . 1 67 67 VAL HG21 H 1 0.335 0.020 . 2 . . . . A 67 VAL HG21 . 34912 1 618 . 1 . 1 67 67 VAL HG22 H 1 0.335 0.020 . 2 . . . . A 67 VAL HG22 . 34912 1 619 . 1 . 1 67 67 VAL HG23 H 1 0.335 0.020 . 2 . . . . A 67 VAL HG23 . 34912 1 620 . 1 . 1 67 67 VAL CA C 13 56.958 0.067 . 1 . . . . A 67 VAL CA . 34912 1 621 . 1 . 1 67 67 VAL CB C 13 30.734 0.078 . 1 . . . . A 67 VAL CB . 34912 1 622 . 1 . 1 67 67 VAL CG1 C 13 21.899 0.042 . 1 . . . . A 67 VAL CG1 . 34912 1 623 . 1 . 1 67 67 VAL CG2 C 13 17.198 0.049 . 1 . . . . A 67 VAL CG2 . 34912 1 624 . 1 . 1 67 67 VAL N N 15 113.292 0.028 . 1 . . . . A 67 VAL N . 34912 1 625 . 1 . 1 68 68 PRO HA H 1 4.132 0.020 . 1 . . . . A 68 PRO HA . 34912 1 626 . 1 . 1 68 68 PRO HB2 H 1 1.929 0.020 . 2 . . . . A 68 PRO HB2 . 34912 1 627 . 1 . 1 68 68 PRO HB3 H 1 0.454 0.008 . 2 . . . . A 68 PRO HB3 . 34912 1 628 . 1 . 1 68 68 PRO HG2 H 1 1.579 0.020 . 2 . . . . A 68 PRO HG2 . 34912 1 629 . 1 . 1 68 68 PRO HG3 H 1 1.121 0.020 . 2 . . . . A 68 PRO HG3 . 34912 1 630 . 1 . 1 68 68 PRO HD2 H 1 3.071 0.001 . 2 . . . . A 68 PRO HD2 . 34912 1 631 . 1 . 1 68 68 PRO HD3 H 1 1.301 0.005 . 2 . . . . A 68 PRO HD3 . 34912 1 632 . 1 . 1 68 68 PRO CA C 13 60.451 0.033 . 1 . . . . A 68 PRO CA . 34912 1 633 . 1 . 1 68 68 PRO CB C 13 31.859 0.072 . 1 . . . . A 68 PRO CB . 34912 1 634 . 1 . 1 68 68 PRO CG C 13 26.894 0.100 . 1 . . . . A 68 PRO CG . 34912 1 635 . 1 . 1 68 68 PRO CD C 13 49.224 0.074 . 1 . . . . A 68 PRO CD . 34912 1 636 . 1 . 1 69 69 LEU H H 1 7.972 0.005 . 1 . . . . A 69 LEU H . 34912 1 637 . 1 . 1 69 69 LEU HA H 1 3.641 0.004 . 1 . . . . A 69 LEU HA . 34912 1 638 . 1 . 1 69 69 LEU HB2 H 1 1.587 0.001 . 2 . . . . A 69 LEU HB2 . 34912 1 639 . 1 . 1 69 69 LEU HB3 H 1 1.289 0.003 . 2 . . . . A 69 LEU HB3 . 34912 1 640 . 1 . 1 69 69 LEU HG H 1 1.298 0.020 . 1 . . . . A 69 LEU HG . 34912 1 641 . 1 . 1 69 69 LEU HD11 H 1 0.394 0.020 . 2 . . . . A 69 LEU HD11 . 34912 1 642 . 1 . 1 69 69 LEU HD12 H 1 0.394 0.020 . 2 . . . . A 69 LEU HD12 . 34912 1 643 . 1 . 1 69 69 LEU HD13 H 1 0.394 0.020 . 2 . . . . A 69 LEU HD13 . 34912 1 644 . 1 . 1 69 69 LEU HD21 H 1 0.355 0.020 . 2 . . . . A 69 LEU HD21 . 34912 1 645 . 1 . 1 69 69 LEU HD22 H 1 0.355 0.020 . 2 . . . . A 69 LEU HD22 . 34912 1 646 . 1 . 1 69 69 LEU HD23 H 1 0.355 0.020 . 2 . . . . A 69 LEU HD23 . 34912 1 647 . 1 . 1 69 69 LEU CA C 13 55.189 0.035 . 1 . . . . A 69 LEU CA . 34912 1 648 . 1 . 1 69 69 LEU CB C 13 41.029 0.058 . 1 . . . . A 69 LEU CB . 34912 1 649 . 1 . 1 69 69 LEU CG C 13 26.595 0.020 . 1 . . . . A 69 LEU CG . 34912 1 650 . 1 . 1 69 69 LEU CD1 C 13 24.772 0.200 . 1 . . . . A 69 LEU CD1 . 34912 1 651 . 1 . 1 69 69 LEU CD2 C 13 24.279 0.061 . 1 . . . . A 69 LEU CD2 . 34912 1 652 . 1 . 1 69 69 LEU N N 15 118.481 0.031 . 1 . . . . A 69 LEU N . 34912 1 653 . 1 . 1 70 70 TRP H H 1 7.291 0.009 . 1 . . . . A 70 TRP H . 34912 1 654 . 1 . 1 70 70 TRP HA H 1 5.022 0.005 . 1 . . . . A 70 TRP HA . 34912 1 655 . 1 . 1 70 70 TRP HB2 H 1 3.045 0.003 . 2 . . . . A 70 TRP HB2 . 34912 1 656 . 1 . 1 70 70 TRP HB3 H 1 3.045 0.003 . 2 . . . . A 70 TRP HB3 . 34912 1 657 . 1 . 1 70 70 TRP HD1 H 1 7.018 0.020 . 1 . . . . A 70 TRP HD1 . 34912 1 658 . 1 . 1 70 70 TRP HE1 H 1 9.187 0.004 . 1 . . . . A 70 TRP HE1 . 34912 1 659 . 1 . 1 70 70 TRP HZ2 H 1 6.427 0.003 . 1 . . . . A 70 TRP HZ2 . 34912 1 660 . 1 . 1 70 70 TRP HH2 H 1 5.638 0.020 . 1 . . . . A 70 TRP HH2 . 34912 1 661 . 1 . 1 70 70 TRP CA C 13 54.815 0.080 . 1 . . . . A 70 TRP CA . 34912 1 662 . 1 . 1 70 70 TRP CB C 13 30.515 0.089 . 1 . . . . A 70 TRP CB . 34912 1 663 . 1 . 1 70 70 TRP CD1 C 13 124.624 0.200 . 1 . . . . A 70 TRP CD1 . 34912 1 664 . 1 . 1 70 70 TRP CZ2 C 13 113.221 0.018 . 1 . . . . A 70 TRP CZ2 . 34912 1 665 . 1 . 1 70 70 TRP CH2 C 13 122.382 0.142 . 1 . . . . A 70 TRP CH2 . 34912 1 666 . 1 . 1 70 70 TRP N N 15 128.564 0.093 . 1 . . . . A 70 TRP N . 34912 1 667 . 1 . 1 70 70 TRP NE1 N 15 127.399 0.012 . 1 . . . . A 70 TRP NE1 . 34912 1 668 . 1 . 1 71 71 GLY H H 1 8.122 0.001 . 1 . . . . A 71 GLY H . 34912 1 669 . 1 . 1 71 71 GLY HA2 H 1 4.285 0.005 . 2 . . . . A 71 GLY HA2 . 34912 1 670 . 1 . 1 71 71 GLY HA3 H 1 4.083 0.002 . 2 . . . . A 71 GLY HA3 . 34912 1 671 . 1 . 1 71 71 GLY CA C 13 45.488 0.027 . 1 . . . . A 71 GLY CA . 34912 1 672 . 1 . 1 71 71 GLY N N 15 106.425 0.022 . 1 . . . . A 71 GLY N . 34912 1 673 . 1 . 1 72 72 ASP H H 1 9.121 0.001 . 1 . . . . A 72 ASP H . 34912 1 674 . 1 . 1 72 72 ASP HA H 1 4.539 0.003 . 1 . . . . A 72 ASP HA . 34912 1 675 . 1 . 1 72 72 ASP HB2 H 1 2.884 0.008 . 2 . . . . A 72 ASP HB2 . 34912 1 676 . 1 . 1 72 72 ASP HB3 H 1 2.721 0.002 . 2 . . . . A 72 ASP HB3 . 34912 1 677 . 1 . 1 72 72 ASP CA C 13 55.221 0.010 . 1 . . . . A 72 ASP CA . 34912 1 678 . 1 . 1 72 72 ASP CB C 13 41.183 0.090 . 1 . . . . A 72 ASP CB . 34912 1 679 . 1 . 1 72 72 ASP N N 15 125.381 0.022 . 1 . . . . A 72 ASP N . 34912 1 680 . 1 . 1 73 73 ALA H H 1 8.276 0.003 . 1 . . . . A 73 ALA H . 34912 1 681 . 1 . 1 73 73 ALA HA H 1 2.597 0.020 . 1 . . . . A 73 ALA HA . 34912 1 682 . 1 . 1 73 73 ALA HB1 H 1 1.051 0.020 . 1 . . . . A 73 ALA HB1 . 34912 1 683 . 1 . 1 73 73 ALA HB2 H 1 1.051 0.020 . 1 . . . . A 73 ALA HB2 . 34912 1 684 . 1 . 1 73 73 ALA HB3 H 1 1.051 0.020 . 1 . . . . A 73 ALA HB3 . 34912 1 685 . 1 . 1 73 73 ALA CA C 13 55.540 0.069 . 1 . . . . A 73 ALA CA . 34912 1 686 . 1 . 1 73 73 ALA CB C 13 18.604 0.056 . 1 . . . . A 73 ALA CB . 34912 1 687 . 1 . 1 73 73 ALA N N 15 121.931 0.200 . 1 . . . . A 73 ALA N . 34912 1 688 . 1 . 1 74 74 ALA H H 1 8.201 0.003 . 1 . . . . A 74 ALA H . 34912 1 689 . 1 . 1 74 74 ALA HA H 1 3.834 0.006 . 1 . . . . A 74 ALA HA . 34912 1 690 . 1 . 1 74 74 ALA HB1 H 1 1.354 0.003 . 1 . . . . A 74 ALA HB1 . 34912 1 691 . 1 . 1 74 74 ALA HB2 H 1 1.354 0.003 . 1 . . . . A 74 ALA HB2 . 34912 1 692 . 1 . 1 74 74 ALA HB3 H 1 1.354 0.003 . 1 . . . . A 74 ALA HB3 . 34912 1 693 . 1 . 1 74 74 ALA CA C 13 54.526 0.009 . 1 . . . . A 74 ALA CA . 34912 1 694 . 1 . 1 74 74 ALA CB C 13 20.341 0.020 . 1 . . . . A 74 ALA CB . 34912 1 695 . 1 . 1 74 74 ALA N N 15 113.087 0.025 . 1 . . . . A 74 ALA N . 34912 1 696 . 1 . 1 75 75 ASP H H 1 8.066 0.004 . 1 . . . . A 75 ASP H . 34912 1 697 . 1 . 1 75 75 ASP HA H 1 4.919 0.006 . 1 . . . . A 75 ASP HA . 34912 1 698 . 1 . 1 75 75 ASP HB2 H 1 3.134 0.009 . 2 . . . . A 75 ASP HB2 . 34912 1 699 . 1 . 1 75 75 ASP HB3 H 1 3.134 0.009 . 2 . . . . A 75 ASP HB3 . 34912 1 700 . 1 . 1 75 75 ASP CA C 13 54.815 0.058 . 1 . . . . A 75 ASP CA . 34912 1 701 . 1 . 1 75 75 ASP CB C 13 39.987 0.036 . 1 . . . . A 75 ASP CB . 34912 1 702 . 1 . 1 75 75 ASP N N 15 113.229 0.013 . 1 . . . . A 75 ASP N . 34912 1 703 . 1 . 1 76 76 TRP H H 1 8.807 0.003 . 1 . . . . A 76 TRP H . 34912 1 704 . 1 . 1 76 76 TRP HA H 1 3.973 0.004 . 1 . . . . A 76 TRP HA . 34912 1 705 . 1 . 1 76 76 TRP HB2 H 1 3.112 0.020 . 2 . . . . A 76 TRP HB2 . 34912 1 706 . 1 . 1 76 76 TRP HB3 H 1 3.112 0.020 . 2 . . . . A 76 TRP HB3 . 34912 1 707 . 1 . 1 76 76 TRP HD1 H 1 7.223 0.001 . 1 . . . . A 76 TRP HD1 . 34912 1 708 . 1 . 1 76 76 TRP HE1 H 1 10.203 0.004 . 1 . . . . A 76 TRP HE1 . 34912 1 709 . 1 . 1 76 76 TRP HZ2 H 1 6.903 0.020 . 1 . . . . A 76 TRP HZ2 . 34912 1 710 . 1 . 1 76 76 TRP CA C 13 60.171 0.017 . 1 . . . . A 76 TRP CA . 34912 1 711 . 1 . 1 76 76 TRP CB C 13 28.410 0.200 . 1 . . . . A 76 TRP CB . 34912 1 712 . 1 . 1 76 76 TRP CD1 C 13 130.053 0.015 . 1 . . . . A 76 TRP CD1 . 34912 1 713 . 1 . 1 76 76 TRP CZ2 C 13 113.761 0.200 . 1 . . . . A 76 TRP CZ2 . 34912 1 714 . 1 . 1 76 76 TRP N N 15 123.002 0.030 . 1 . . . . A 76 TRP N . 34912 1 715 . 1 . 1 76 76 TRP NE1 N 15 128.151 0.050 . 1 . . . . A 76 TRP NE1 . 34912 1 716 . 1 . 1 77 77 ILE H H 1 6.633 0.007 . 1 . . . . A 77 ILE H . 34912 1 717 . 1 . 1 77 77 ILE HA H 1 3.503 0.020 . 1 . . . . A 77 ILE HA . 34912 1 718 . 1 . 1 77 77 ILE HB H 1 2.072 0.020 . 1 . . . . A 77 ILE HB . 34912 1 719 . 1 . 1 77 77 ILE HG12 H 1 1.292 0.001 . 2 . . . . A 77 ILE HG12 . 34912 1 720 . 1 . 1 77 77 ILE HG13 H 1 1.216 0.005 . 2 . . . . A 77 ILE HG13 . 34912 1 721 . 1 . 1 77 77 ILE HG21 H 1 0.741 0.020 . 1 . . . . A 77 ILE HG21 . 34912 1 722 . 1 . 1 77 77 ILE HG22 H 1 0.741 0.020 . 1 . . . . A 77 ILE HG22 . 34912 1 723 . 1 . 1 77 77 ILE HG23 H 1 0.741 0.020 . 1 . . . . A 77 ILE HG23 . 34912 1 724 . 1 . 1 77 77 ILE HD11 H 1 0.366 0.020 . 1 . . . . A 77 ILE HD11 . 34912 1 725 . 1 . 1 77 77 ILE HD12 H 1 0.366 0.020 . 1 . . . . A 77 ILE HD12 . 34912 1 726 . 1 . 1 77 77 ILE HD13 H 1 0.366 0.020 . 1 . . . . A 77 ILE HD13 . 34912 1 727 . 1 . 1 77 77 ILE CA C 13 62.282 0.200 . 1 . . . . A 77 ILE CA . 34912 1 728 . 1 . 1 77 77 ILE CB C 13 34.886 0.200 . 1 . . . . A 77 ILE CB . 34912 1 729 . 1 . 1 77 77 ILE CG1 C 13 26.073 0.066 . 1 . . . . A 77 ILE CG1 . 34912 1 730 . 1 . 1 77 77 ILE CG2 C 13 16.770 0.200 . 1 . . . . A 77 ILE CG2 . 34912 1 731 . 1 . 1 77 77 ILE CD1 C 13 9.612 0.200 . 1 . . . . A 77 ILE CD1 . 34912 1 732 . 1 . 1 77 77 ILE N N 15 116.086 0.017 . 1 . . . . A 77 ILE N . 34912 1 733 . 1 . 1 78 78 GLY H H 1 8.194 0.005 . 1 . . . . A 78 GLY H . 34912 1 734 . 1 . 1 78 78 GLY HA2 H 1 3.806 0.005 . 2 . . . . A 78 GLY HA2 . 34912 1 735 . 1 . 1 78 78 GLY HA3 H 1 3.638 0.004 . 2 . . . . A 78 GLY HA3 . 34912 1 736 . 1 . 1 78 78 GLY CA C 13 46.825 0.065 . 1 . . . . A 78 GLY CA . 34912 1 737 . 1 . 1 78 78 GLY N N 15 107.376 0.049 . 1 . . . . A 78 GLY N . 34912 1 738 . 1 . 1 79 79 GLY H H 1 7.601 0.006 . 1 . . . . A 79 GLY H . 34912 1 739 . 1 . 1 79 79 GLY HA2 H 1 3.371 0.006 . 2 . . . . A 79 GLY HA2 . 34912 1 740 . 1 . 1 79 79 GLY HA3 H 1 2.162 0.006 . 2 . . . . A 79 GLY HA3 . 34912 1 741 . 1 . 1 79 79 GLY CA C 13 46.228 0.042 . 1 . . . . A 79 GLY CA . 34912 1 742 . 1 . 1 79 79 GLY N N 15 109.831 0.043 . 1 . . . . A 79 GLY N . 34912 1 743 . 1 . 1 80 80 ALA H H 1 7.597 0.001 . 1 . . . . A 80 ALA H . 34912 1 744 . 1 . 1 80 80 ALA HA H 1 3.599 0.004 . 1 . . . . A 80 ALA HA . 34912 1 745 . 1 . 1 80 80 ALA HB1 H 1 0.884 0.020 . 1 . . . . A 80 ALA HB1 . 34912 1 746 . 1 . 1 80 80 ALA HB2 H 1 0.884 0.020 . 1 . . . . A 80 ALA HB2 . 34912 1 747 . 1 . 1 80 80 ALA HB3 H 1 0.884 0.020 . 1 . . . . A 80 ALA HB3 . 34912 1 748 . 1 . 1 80 80 ALA CA C 13 55.086 0.031 . 1 . . . . A 80 ALA CA . 34912 1 749 . 1 . 1 80 80 ALA CB C 13 18.374 0.029 . 1 . . . . A 80 ALA CB . 34912 1 750 . 1 . 1 80 80 ALA N N 15 124.785 0.008 . 1 . . . . A 80 ALA N . 34912 1 751 . 1 . 1 81 81 LYS H H 1 8.162 0.001 . 1 . . . . A 81 LYS H . 34912 1 752 . 1 . 1 81 81 LYS HA H 1 4.105 0.011 . 1 . . . . A 81 LYS HA . 34912 1 753 . 1 . 1 81 81 LYS HB2 H 1 1.875 0.012 . 2 . . . . A 81 LYS HB2 . 34912 1 754 . 1 . 1 81 81 LYS HB3 H 1 1.778 0.005 . 2 . . . . A 81 LYS HB3 . 34912 1 755 . 1 . 1 81 81 LYS HG2 H 1 1.653 0.009 . 2 . . . . A 81 LYS HG2 . 34912 1 756 . 1 . 1 81 81 LYS HG3 H 1 1.419 0.009 . 2 . . . . A 81 LYS HG3 . 34912 1 757 . 1 . 1 81 81 LYS HD2 H 1 1.617 0.003 . 2 . . . . A 81 LYS HD2 . 34912 1 758 . 1 . 1 81 81 LYS HD3 H 1 1.617 0.003 . 2 . . . . A 81 LYS HD3 . 34912 1 759 . 1 . 1 81 81 LYS HE2 H 1 2.860 0.020 . 2 . . . . A 81 LYS HE2 . 34912 1 760 . 1 . 1 81 81 LYS HE3 H 1 2.814 0.020 . 2 . . . . A 81 LYS HE3 . 34912 1 761 . 1 . 1 81 81 LYS CA C 13 59.802 0.039 . 1 . . . . A 81 LYS CA . 34912 1 762 . 1 . 1 81 81 LYS CB C 13 32.231 0.161 . 1 . . . . A 81 LYS CB . 34912 1 763 . 1 . 1 81 81 LYS CG C 13 25.863 0.064 . 1 . . . . A 81 LYS CG . 34912 1 764 . 1 . 1 81 81 LYS CD C 13 29.434 0.053 . 1 . . . . A 81 LYS CD . 34912 1 765 . 1 . 1 81 81 LYS CE C 13 41.888 0.079 . 1 . . . . A 81 LYS CE . 34912 1 766 . 1 . 1 81 81 LYS N N 15 117.780 0.007 . 1 . . . . A 81 LYS N . 34912 1 767 . 1 . 1 82 82 GLY H H 1 7.958 0.003 . 1 . . . . A 82 GLY H . 34912 1 768 . 1 . 1 82 82 GLY HA2 H 1 3.997 0.008 . 2 . . . . A 82 GLY HA2 . 34912 1 769 . 1 . 1 82 82 GLY HA3 H 1 3.918 0.001 . 2 . . . . A 82 GLY HA3 . 34912 1 770 . 1 . 1 82 82 GLY CA C 13 46.625 0.040 . 1 . . . . A 82 GLY CA . 34912 1 771 . 1 . 1 82 82 GLY N N 15 105.880 0.027 . 1 . . . . A 82 GLY N . 34912 1 772 . 1 . 1 83 83 ALA H H 1 7.789 0.002 . 1 . . . . A 83 ALA H . 34912 1 773 . 1 . 1 83 83 ALA HA H 1 4.763 0.002 . 1 . . . . A 83 ALA HA . 34912 1 774 . 1 . 1 83 83 ALA HB1 H 1 1.928 0.003 . 1 . . . . A 83 ALA HB1 . 34912 1 775 . 1 . 1 83 83 ALA HB2 H 1 1.928 0.003 . 1 . . . . A 83 ALA HB2 . 34912 1 776 . 1 . 1 83 83 ALA HB3 H 1 1.928 0.003 . 1 . . . . A 83 ALA HB3 . 34912 1 777 . 1 . 1 83 83 ALA CA C 13 51.638 0.022 . 1 . . . . A 83 ALA CA . 34912 1 778 . 1 . 1 83 83 ALA CB C 13 20.419 0.026 . 1 . . . . A 83 ALA CB . 34912 1 779 . 1 . 1 83 83 ALA N N 15 120.584 0.022 . 1 . . . . A 83 ALA N . 34912 1 780 . 1 . 1 84 84 GLY H H 1 7.783 0.001 . 1 . . . . A 84 GLY H . 34912 1 781 . 1 . 1 84 84 GLY HA2 H 1 4.215 0.005 . 2 . . . . A 84 GLY HA2 . 34912 1 782 . 1 . 1 84 84 GLY HA3 H 1 3.936 0.003 . 2 . . . . A 84 GLY HA3 . 34912 1 783 . 1 . 1 84 84 GLY CA C 13 46.430 0.028 . 1 . . . . A 84 GLY CA . 34912 1 784 . 1 . 1 84 84 GLY N N 15 105.793 0.010 . 1 . . . . A 84 GLY N . 34912 1 785 . 1 . 1 85 85 TYR H H 1 8.662 0.003 . 1 . . . . A 85 TYR H . 34912 1 786 . 1 . 1 85 85 TYR HA H 1 4.605 0.004 . 1 . . . . A 85 TYR HA . 34912 1 787 . 1 . 1 85 85 TYR HB2 H 1 3.044 0.016 . 2 . . . . A 85 TYR HB2 . 34912 1 788 . 1 . 1 85 85 TYR HB3 H 1 2.584 0.011 . 2 . . . . A 85 TYR HB3 . 34912 1 789 . 1 . 1 85 85 TYR HD1 H 1 7.102 0.005 . 1 . . . . A 85 TYR HD1 . 34912 1 790 . 1 . 1 85 85 TYR HD2 H 1 7.102 0.005 . 1 . . . . A 85 TYR HD2 . 34912 1 791 . 1 . 1 85 85 TYR HE1 H 1 6.857 0.020 . 1 . . . . A 85 TYR HE1 . 34912 1 792 . 1 . 1 85 85 TYR HE2 H 1 6.857 0.020 . 1 . . . . A 85 TYR HE2 . 34912 1 793 . 1 . 1 85 85 TYR CA C 13 57.884 0.017 . 1 . . . . A 85 TYR CA . 34912 1 794 . 1 . 1 85 85 TYR CB C 13 39.587 0.135 . 1 . . . . A 85 TYR CB . 34912 1 795 . 1 . 1 85 85 TYR CD1 C 13 132.260 0.038 . 1 . . . . A 85 TYR CD1 . 34912 1 796 . 1 . 1 85 85 TYR CD2 C 13 132.260 0.038 . 1 . . . . A 85 TYR CD2 . 34912 1 797 . 1 . 1 85 85 TYR CE1 C 13 118.092 0.055 . 1 . . . . A 85 TYR CE1 . 34912 1 798 . 1 . 1 85 85 TYR CE2 C 13 118.092 0.055 . 1 . . . . A 85 TYR CE2 . 34912 1 799 . 1 . 1 85 85 TYR N N 15 120.537 0.028 . 1 . . . . A 85 TYR N . 34912 1 800 . 1 . 1 86 86 GLY H H 1 8.524 0.006 . 1 . . . . A 86 GLY H . 34912 1 801 . 1 . 1 86 86 GLY HA2 H 1 4.268 0.004 . 2 . . . . A 86 GLY HA2 . 34912 1 802 . 1 . 1 86 86 GLY HA3 H 1 4.080 0.004 . 2 . . . . A 86 GLY HA3 . 34912 1 803 . 1 . 1 86 86 GLY CA C 13 46.777 0.104 . 1 . . . . A 86 GLY CA . 34912 1 804 . 1 . 1 86 86 GLY N N 15 107.219 0.025 . 1 . . . . A 86 GLY N . 34912 1 805 . 1 . 1 87 87 VAL H H 1 8.117 0.002 . 1 . . . . A 87 VAL H . 34912 1 806 . 1 . 1 87 87 VAL HA H 1 5.048 0.008 . 1 . . . . A 87 VAL HA . 34912 1 807 . 1 . 1 87 87 VAL HB H 1 1.847 0.003 . 1 . . . . A 87 VAL HB . 34912 1 808 . 1 . 1 87 87 VAL HG11 H 1 0.805 0.009 . 2 . . . . A 87 VAL HG11 . 34912 1 809 . 1 . 1 87 87 VAL HG12 H 1 0.805 0.009 . 2 . . . . A 87 VAL HG12 . 34912 1 810 . 1 . 1 87 87 VAL HG13 H 1 0.805 0.009 . 2 . . . . A 87 VAL HG13 . 34912 1 811 . 1 . 1 87 87 VAL HG21 H 1 0.804 0.009 . 2 . . . . A 87 VAL HG21 . 34912 1 812 . 1 . 1 87 87 VAL HG22 H 1 0.804 0.009 . 2 . . . . A 87 VAL HG22 . 34912 1 813 . 1 . 1 87 87 VAL HG23 H 1 0.804 0.009 . 2 . . . . A 87 VAL HG23 . 34912 1 814 . 1 . 1 87 87 VAL CA C 13 59.541 0.023 . 1 . . . . A 87 VAL CA . 34912 1 815 . 1 . 1 87 87 VAL CB C 13 36.170 0.023 . 1 . . . . A 87 VAL CB . 34912 1 816 . 1 . 1 87 87 VAL CG1 C 13 21.573 0.132 . 1 . . . . A 87 VAL CG1 . 34912 1 817 . 1 . 1 87 87 VAL CG2 C 13 21.548 0.102 . 1 . . . . A 87 VAL CG2 . 34912 1 818 . 1 . 1 87 87 VAL N N 15 121.582 0.006 . 1 . . . . A 87 VAL N . 34912 1 819 . 1 . 1 88 88 GLY H H 1 8.528 0.002 . 1 . . . . A 88 GLY H . 34912 1 820 . 1 . 1 88 88 GLY HA2 H 1 4.565 0.002 . 2 . . . . A 88 GLY HA2 . 34912 1 821 . 1 . 1 88 88 GLY HA3 H 1 4.445 0.002 . 2 . . . . A 88 GLY HA3 . 34912 1 822 . 1 . 1 88 88 GLY CA C 13 46.158 0.023 . 1 . . . . A 88 GLY CA . 34912 1 823 . 1 . 1 88 88 GLY N N 15 111.748 0.009 . 1 . . . . A 88 GLY N . 34912 1 824 . 1 . 1 89 89 ARG HA H 1 4.726 0.005 . 1 . . . . A 89 ARG HA . 34912 1 825 . 1 . 1 89 89 ARG HB2 H 1 2.240 0.007 . 2 . . . . A 89 ARG HB2 . 34912 1 826 . 1 . 1 89 89 ARG HB3 H 1 1.787 0.003 . 2 . . . . A 89 ARG HB3 . 34912 1 827 . 1 . 1 89 89 ARG HG2 H 1 1.837 0.007 . 2 . . . . A 89 ARG HG2 . 34912 1 828 . 1 . 1 89 89 ARG HG3 H 1 1.695 0.007 . 2 . . . . A 89 ARG HG3 . 34912 1 829 . 1 . 1 89 89 ARG HD2 H 1 3.290 0.003 . 2 . . . . A 89 ARG HD2 . 34912 1 830 . 1 . 1 89 89 ARG HD3 H 1 3.290 0.003 . 2 . . . . A 89 ARG HD3 . 34912 1 831 . 1 . 1 89 89 ARG CA C 13 55.898 0.068 . 1 . . . . A 89 ARG CA . 34912 1 832 . 1 . 1 89 89 ARG CB C 13 30.965 0.070 . 1 . . . . A 89 ARG CB . 34912 1 833 . 1 . 1 89 89 ARG CG C 13 27.992 0.042 . 1 . . . . A 89 ARG CG . 34912 1 834 . 1 . 1 89 89 ARG CD C 13 43.008 0.063 . 1 . . . . A 89 ARG CD . 34912 1 835 . 1 . 1 90 90 THR H H 1 7.381 0.011 . 1 . . . . A 90 THR H . 34912 1 836 . 1 . 1 90 90 THR HA H 1 4.501 0.007 . 1 . . . . A 90 THR HA . 34912 1 837 . 1 . 1 90 90 THR HB H 1 3.858 0.004 . 1 . . . . A 90 THR HB . 34912 1 838 . 1 . 1 90 90 THR HG21 H 1 1.072 0.005 . 1 . . . . A 90 THR HG21 . 34912 1 839 . 1 . 1 90 90 THR HG22 H 1 1.072 0.005 . 1 . . . . A 90 THR HG22 . 34912 1 840 . 1 . 1 90 90 THR HG23 H 1 1.072 0.005 . 1 . . . . A 90 THR HG23 . 34912 1 841 . 1 . 1 90 90 THR CA C 13 59.832 0.040 . 1 . . . . A 90 THR CA . 34912 1 842 . 1 . 1 90 90 THR CB C 13 69.912 0.037 . 1 . . . . A 90 THR CB . 34912 1 843 . 1 . 1 90 90 THR CG2 C 13 20.936 0.072 . 1 . . . . A 90 THR CG2 . 34912 1 844 . 1 . 1 90 90 THR N N 15 116.547 0.046 . 1 . . . . A 90 THR N . 34912 1 845 . 1 . 1 91 91 PRO HA H 1 2.111 0.001 . 1 . . . . A 91 PRO HA . 34912 1 846 . 1 . 1 91 91 PRO HB2 H 1 1.631 0.006 . 2 . . . . A 91 PRO HB2 . 34912 1 847 . 1 . 1 91 91 PRO HB3 H 1 1.438 0.006 . 2 . . . . A 91 PRO HB3 . 34912 1 848 . 1 . 1 91 91 PRO HG2 H 1 2.071 0.006 . 2 . . . . A 91 PRO HG2 . 34912 1 849 . 1 . 1 91 91 PRO HG3 H 1 1.874 0.010 . 2 . . . . A 91 PRO HG3 . 34912 1 850 . 1 . 1 91 91 PRO HD2 H 1 3.838 0.005 . 2 . . . . A 91 PRO HD2 . 34912 1 851 . 1 . 1 91 91 PRO HD3 H 1 3.838 0.005 . 2 . . . . A 91 PRO HD3 . 34912 1 852 . 1 . 1 91 91 PRO CA C 13 62.469 0.200 . 1 . . . . A 91 PRO CA . 34912 1 853 . 1 . 1 91 91 PRO CB C 13 33.152 0.068 . 1 . . . . A 91 PRO CB . 34912 1 854 . 1 . 1 91 91 PRO CG C 13 26.931 0.100 . 1 . . . . A 91 PRO CG . 34912 1 855 . 1 . 1 91 91 PRO CD C 13 50.842 0.056 . 1 . . . . A 91 PRO CD . 34912 1 856 . 1 . 1 92 92 LYS H H 1 5.483 0.003 . 1 . . . . A 92 LYS H . 34912 1 857 . 1 . 1 92 92 LYS HA H 1 4.235 0.020 . 1 . . . . A 92 LYS HA . 34912 1 858 . 1 . 1 92 92 LYS HB2 H 1 1.325 0.008 . 2 . . . . A 92 LYS HB2 . 34912 1 859 . 1 . 1 92 92 LYS HB3 H 1 1.115 0.003 . 2 . . . . A 92 LYS HB3 . 34912 1 860 . 1 . 1 92 92 LYS HG2 H 1 0.991 0.020 . 2 . . . . A 92 LYS HG2 . 34912 1 861 . 1 . 1 92 92 LYS HG3 H 1 0.910 0.020 . 2 . . . . A 92 LYS HG3 . 34912 1 862 . 1 . 1 92 92 LYS HD2 H 1 1.111 0.020 . 2 . . . . A 92 LYS HD2 . 34912 1 863 . 1 . 1 92 92 LYS HD3 H 1 0.745 0.009 . 2 . . . . A 92 LYS HD3 . 34912 1 864 . 1 . 1 92 92 LYS HE2 H 1 2.353 0.003 . 2 . . . . A 92 LYS HE2 . 34912 1 865 . 1 . 1 92 92 LYS HE3 H 1 2.126 0.002 . 2 . . . . A 92 LYS HE3 . 34912 1 866 . 1 . 1 92 92 LYS CA C 13 54.954 0.200 . 1 . . . . A 92 LYS CA . 34912 1 867 . 1 . 1 92 92 LYS CB C 13 38.261 0.053 . 1 . . . . A 92 LYS CB . 34912 1 868 . 1 . 1 92 92 LYS CG C 13 25.867 0.094 . 1 . . . . A 92 LYS CG . 34912 1 869 . 1 . 1 92 92 LYS CD C 13 29.371 0.061 . 1 . . . . A 92 LYS CD . 34912 1 870 . 1 . 1 92 92 LYS CE C 13 41.588 0.098 . 1 . . . . A 92 LYS CE . 34912 1 871 . 1 . 1 92 92 LYS N N 15 114.428 0.024 . 1 . . . . A 92 LYS N . 34912 1 872 . 1 . 1 93 93 GLN H H 1 8.953 0.001 . 1 . . . . A 93 GLN H . 34912 1 873 . 1 . 1 93 93 GLN HA H 1 3.600 0.002 . 1 . . . . A 93 GLN HA . 34912 1 874 . 1 . 1 93 93 GLN HB2 H 1 2.068 0.013 . 2 . . . . A 93 GLN HB2 . 34912 1 875 . 1 . 1 93 93 GLN HB3 H 1 2.068 0.013 . 2 . . . . A 93 GLN HB3 . 34912 1 876 . 1 . 1 93 93 GLN HG2 H 1 2.334 0.005 . 2 . . . . A 93 GLN HG2 . 34912 1 877 . 1 . 1 93 93 GLN HG3 H 1 2.334 0.005 . 2 . . . . A 93 GLN HG3 . 34912 1 878 . 1 . 1 93 93 GLN HE21 H 1 8.385 0.010 . 2 . . . . A 93 GLN HE21 . 34912 1 879 . 1 . 1 93 93 GLN HE22 H 1 6.697 0.006 . 2 . . . . A 93 GLN HE22 . 34912 1 880 . 1 . 1 93 93 GLN CA C 13 57.964 0.070 . 1 . . . . A 93 GLN CA . 34912 1 881 . 1 . 1 93 93 GLN CB C 13 29.090 0.112 . 1 . . . . A 93 GLN CB . 34912 1 882 . 1 . 1 93 93 GLN CG C 13 34.920 0.056 . 1 . . . . A 93 GLN CG . 34912 1 883 . 1 . 1 93 93 GLN N N 15 125.217 0.025 . 1 . . . . A 93 GLN N . 34912 1 884 . 1 . 1 93 93 GLN NE2 N 15 112.678 0.045 . 1 . . . . A 93 GLN NE2 . 34912 1 885 . 1 . 1 94 94 GLY H H 1 8.921 0.006 . 1 . . . . A 94 GLY H . 34912 1 886 . 1 . 1 94 94 GLY HA2 H 1 4.283 0.004 . 2 . . . . A 94 GLY HA2 . 34912 1 887 . 1 . 1 94 94 GLY HA3 H 1 3.365 0.005 . 2 . . . . A 94 GLY HA3 . 34912 1 888 . 1 . 1 94 94 GLY CA C 13 44.685 0.106 . 1 . . . . A 94 GLY CA . 34912 1 889 . 1 . 1 94 94 GLY N N 15 114.380 0.042 . 1 . . . . A 94 GLY N . 34912 1 890 . 1 . 1 95 95 ALA H H 1 7.722 0.001 . 1 . . . . A 95 ALA H . 34912 1 891 . 1 . 1 95 95 ALA HA H 1 4.681 0.005 . 1 . . . . A 95 ALA HA . 34912 1 892 . 1 . 1 95 95 ALA HB1 H 1 1.561 0.020 . 1 . . . . A 95 ALA HB1 . 34912 1 893 . 1 . 1 95 95 ALA HB2 H 1 1.561 0.020 . 1 . . . . A 95 ALA HB2 . 34912 1 894 . 1 . 1 95 95 ALA HB3 H 1 1.561 0.020 . 1 . . . . A 95 ALA HB3 . 34912 1 895 . 1 . 1 95 95 ALA CA C 13 52.260 0.044 . 1 . . . . A 95 ALA CA . 34912 1 896 . 1 . 1 95 95 ALA CB C 13 20.428 0.200 . 1 . . . . A 95 ALA CB . 34912 1 897 . 1 . 1 95 95 ALA N N 15 118.114 0.027 . 1 . . . . A 95 ALA N . 34912 1 898 . 1 . 1 96 96 CYS H H 1 8.274 0.002 . 1 . . . . A 96 CYS H . 34912 1 899 . 1 . 1 96 96 CYS HA H 1 5.344 0.020 . 1 . . . . A 96 CYS HA . 34912 1 900 . 1 . 1 96 96 CYS HB2 H 1 2.983 0.024 . 2 . . . . A 96 CYS HB2 . 34912 1 901 . 1 . 1 96 96 CYS HB3 H 1 2.894 0.002 . 2 . . . . A 96 CYS HB3 . 34912 1 902 . 1 . 1 96 96 CYS CA C 13 59.459 0.068 . 1 . . . . A 96 CYS CA . 34912 1 903 . 1 . 1 96 96 CYS CB C 13 29.122 0.120 . 1 . . . . A 96 CYS CB . 34912 1 904 . 1 . 1 96 96 CYS N N 15 115.226 0.022 . 1 . . . . A 96 CYS N . 34912 1 905 . 1 . 1 97 97 VAL H H 1 9.095 0.005 . 1 . . . . A 97 VAL H . 34912 1 906 . 1 . 1 97 97 VAL HA H 1 4.575 0.006 . 1 . . . . A 97 VAL HA . 34912 1 907 . 1 . 1 97 97 VAL HB H 1 1.387 0.006 . 1 . . . . A 97 VAL HB . 34912 1 908 . 1 . 1 97 97 VAL HG11 H 1 -0.441 0.001 . 2 . . . . A 97 VAL HG11 . 34912 1 909 . 1 . 1 97 97 VAL HG12 H 1 -0.441 0.001 . 2 . . . . A 97 VAL HG12 . 34912 1 910 . 1 . 1 97 97 VAL HG13 H 1 -0.441 0.001 . 2 . . . . A 97 VAL HG13 . 34912 1 911 . 1 . 1 97 97 VAL HG21 H 1 0.539 0.020 . 2 . . . . A 97 VAL HG21 . 34912 1 912 . 1 . 1 97 97 VAL HG22 H 1 0.539 0.020 . 2 . . . . A 97 VAL HG22 . 34912 1 913 . 1 . 1 97 97 VAL HG23 H 1 0.539 0.020 . 2 . . . . A 97 VAL HG23 . 34912 1 914 . 1 . 1 97 97 VAL CA C 13 58.168 0.039 . 1 . . . . A 97 VAL CA . 34912 1 915 . 1 . 1 97 97 VAL CB C 13 33.704 0.049 . 1 . . . . A 97 VAL CB . 34912 1 916 . 1 . 1 97 97 VAL CG1 C 13 23.104 0.085 . 1 . . . . A 97 VAL CG1 . 34912 1 917 . 1 . 1 97 97 VAL CG2 C 13 20.839 0.053 . 1 . . . . A 97 VAL CG2 . 34912 1 918 . 1 . 1 97 97 VAL N N 15 124.412 0.042 . 1 . . . . A 97 VAL N . 34912 1 919 . 1 . 1 98 98 ILE H H 1 8.637 0.007 . 1 . . . . A 98 ILE H . 34912 1 920 . 1 . 1 98 98 ILE HA H 1 4.745 0.011 . 1 . . . . A 98 ILE HA . 34912 1 921 . 1 . 1 98 98 ILE HB H 1 1.456 0.006 . 1 . . . . A 98 ILE HB . 34912 1 922 . 1 . 1 98 98 ILE HG12 H 1 1.274 0.020 . 2 . . . . A 98 ILE HG12 . 34912 1 923 . 1 . 1 98 98 ILE HG13 H 1 1.010 0.011 . 2 . . . . A 98 ILE HG13 . 34912 1 924 . 1 . 1 98 98 ILE HG21 H 1 0.730 0.020 . 1 . . . . A 98 ILE HG21 . 34912 1 925 . 1 . 1 98 98 ILE HG22 H 1 0.730 0.020 . 1 . . . . A 98 ILE HG22 . 34912 1 926 . 1 . 1 98 98 ILE HG23 H 1 0.730 0.020 . 1 . . . . A 98 ILE HG23 . 34912 1 927 . 1 . 1 98 98 ILE HD11 H 1 0.648 0.006 . 1 . . . . A 98 ILE HD11 . 34912 1 928 . 1 . 1 98 98 ILE HD12 H 1 0.648 0.006 . 1 . . . . A 98 ILE HD12 . 34912 1 929 . 1 . 1 98 98 ILE HD13 H 1 0.648 0.006 . 1 . . . . A 98 ILE HD13 . 34912 1 930 . 1 . 1 98 98 ILE CA C 13 57.675 0.106 . 1 . . . . A 98 ILE CA . 34912 1 931 . 1 . 1 98 98 ILE CB C 13 39.755 0.078 . 1 . . . . A 98 ILE CB . 34912 1 932 . 1 . 1 98 98 ILE CG1 C 13 28.057 0.054 . 1 . . . . A 98 ILE CG1 . 34912 1 933 . 1 . 1 98 98 ILE CG2 C 13 20.435 0.047 . 1 . . . . A 98 ILE CG2 . 34912 1 934 . 1 . 1 98 98 ILE CD1 C 13 12.256 0.077 . 1 . . . . A 98 ILE CD1 . 34912 1 935 . 1 . 1 98 98 ILE N N 15 125.668 0.054 . 1 . . . . A 98 ILE N . 34912 1 936 . 1 . 1 99 99 TRP H H 1 8.875 0.005 . 1 . . . . A 99 TRP H . 34912 1 937 . 1 . 1 99 99 TRP HA H 1 4.560 0.005 . 1 . . . . A 99 TRP HA . 34912 1 938 . 1 . 1 99 99 TRP HB2 H 1 2.768 0.017 . 2 . . . . A 99 TRP HB2 . 34912 1 939 . 1 . 1 99 99 TRP HB3 H 1 2.768 0.017 . 2 . . . . A 99 TRP HB3 . 34912 1 940 . 1 . 1 99 99 TRP HD1 H 1 7.140 0.020 . 1 . . . . A 99 TRP HD1 . 34912 1 941 . 1 . 1 99 99 TRP HE1 H 1 10.830 0.009 . 1 . . . . A 99 TRP HE1 . 34912 1 942 . 1 . 1 99 99 TRP HZ2 H 1 6.745 0.020 . 1 . . . . A 99 TRP HZ2 . 34912 1 943 . 1 . 1 99 99 TRP HZ3 H 1 6.571 0.020 . 1 . . . . A 99 TRP HZ3 . 34912 1 944 . 1 . 1 99 99 TRP HH2 H 1 6.535 0.009 . 1 . . . . A 99 TRP HH2 . 34912 1 945 . 1 . 1 99 99 TRP CA C 13 58.862 0.022 . 1 . . . . A 99 TRP CA . 34912 1 946 . 1 . 1 99 99 TRP CB C 13 33.010 0.037 . 1 . . . . A 99 TRP CB . 34912 1 947 . 1 . 1 99 99 TRP CD1 C 13 127.167 0.200 . 1 . . . . A 99 TRP CD1 . 34912 1 948 . 1 . 1 99 99 TRP CZ2 C 13 112.598 0.200 . 1 . . . . A 99 TRP CZ2 . 34912 1 949 . 1 . 1 99 99 TRP CZ3 C 13 121.622 0.200 . 1 . . . . A 99 TRP CZ3 . 34912 1 950 . 1 . 1 99 99 TRP CH2 C 13 123.206 0.042 . 1 . . . . A 99 TRP CH2 . 34912 1 951 . 1 . 1 99 99 TRP N N 15 126.104 0.028 . 1 . . . . A 99 TRP N . 34912 1 952 . 1 . 1 99 99 TRP NE1 N 15 129.636 0.021 . 1 . . . . A 99 TRP NE1 . 34912 1 953 . 1 . 1 100 100 GLN H H 1 8.335 0.005 . 1 . . . . A 100 GLN H . 34912 1 954 . 1 . 1 100 100 GLN HA H 1 4.032 0.004 . 1 . . . . A 100 GLN HA . 34912 1 955 . 1 . 1 100 100 GLN HB2 H 1 2.448 0.009 . 2 . . . . A 100 GLN HB2 . 34912 1 956 . 1 . 1 100 100 GLN HB3 H 1 1.833 0.007 . 2 . . . . A 100 GLN HB3 . 34912 1 957 . 1 . 1 100 100 GLN HG2 H 1 2.587 0.005 . 2 . . . . A 100 GLN HG2 . 34912 1 958 . 1 . 1 100 100 GLN HG3 H 1 2.415 0.012 . 2 . . . . A 100 GLN HG3 . 34912 1 959 . 1 . 1 100 100 GLN HE21 H 1 7.784 0.011 . 2 . . . . A 100 GLN HE21 . 34912 1 960 . 1 . 1 100 100 GLN HE22 H 1 7.755 0.002 . 2 . . . . A 100 GLN HE22 . 34912 1 961 . 1 . 1 100 100 GLN CA C 13 54.216 0.026 . 1 . . . . A 100 GLN CA . 34912 1 962 . 1 . 1 100 100 GLN CB C 13 29.803 0.061 . 1 . . . . A 100 GLN CB . 34912 1 963 . 1 . 1 100 100 GLN CG C 13 34.260 0.084 . 1 . . . . A 100 GLN CG . 34912 1 964 . 1 . 1 100 100 GLN N N 15 117.740 0.040 . 1 . . . . A 100 GLN N . 34912 1 965 . 1 . 1 100 100 GLN NE2 N 15 117.096 0.040 . 1 . . . . A 100 GLN NE2 . 34912 1 966 . 1 . 1 101 101 ARG H H 1 7.874 0.009 . 1 . . . . A 101 ARG H . 34912 1 967 . 1 . 1 101 101 ARG HA H 1 4.248 0.005 . 1 . . . . A 101 ARG HA . 34912 1 968 . 1 . 1 101 101 ARG HB2 H 1 1.467 0.002 . 2 . . . . A 101 ARG HB2 . 34912 1 969 . 1 . 1 101 101 ARG HB3 H 1 1.467 0.002 . 2 . . . . A 101 ARG HB3 . 34912 1 970 . 1 . 1 101 101 ARG HG2 H 1 1.429 0.020 . 2 . . . . A 101 ARG HG2 . 34912 1 971 . 1 . 1 101 101 ARG HG3 H 1 1.429 0.020 . 2 . . . . A 101 ARG HG3 . 34912 1 972 . 1 . 1 101 101 ARG CA C 13 56.863 0.028 . 1 . . . . A 101 ARG CA . 34912 1 973 . 1 . 1 101 101 ARG CB C 13 29.520 0.044 . 1 . . . . A 101 ARG CB . 34912 1 974 . 1 . 1 101 101 ARG CG C 13 29.151 0.200 . 1 . . . . A 101 ARG CG . 34912 1 975 . 1 . 1 101 101 ARG N N 15 115.983 0.041 . 1 . . . . A 101 ARG N . 34912 1 976 . 1 . 1 102 102 GLY H H 1 7.850 0.006 . 1 . . . . A 102 GLY H . 34912 1 977 . 1 . 1 102 102 GLY HA2 H 1 3.964 0.020 . 2 . . . . A 102 GLY HA2 . 34912 1 978 . 1 . 1 102 102 GLY HA3 H 1 3.614 0.020 . 2 . . . . A 102 GLY HA3 . 34912 1 979 . 1 . 1 102 102 GLY CA C 13 46.705 0.084 . 1 . . . . A 102 GLY CA . 34912 1 980 . 1 . 1 102 102 GLY N N 15 108.772 0.015 . 1 . . . . A 102 GLY N . 34912 1 981 . 1 . 1 103 103 VAL H H 1 6.680 0.001 . 1 . . . . A 103 VAL H . 34912 1 982 . 1 . 1 103 103 VAL HA H 1 4.649 0.020 . 1 . . . . A 103 VAL HA . 34912 1 983 . 1 . 1 103 103 VAL HB H 1 2.280 0.010 . 1 . . . . A 103 VAL HB . 34912 1 984 . 1 . 1 103 103 VAL HG11 H 1 0.830 0.020 . 2 . . . . A 103 VAL HG11 . 34912 1 985 . 1 . 1 103 103 VAL HG12 H 1 0.830 0.020 . 2 . . . . A 103 VAL HG12 . 34912 1 986 . 1 . 1 103 103 VAL HG13 H 1 0.830 0.020 . 2 . . . . A 103 VAL HG13 . 34912 1 987 . 1 . 1 103 103 VAL HG21 H 1 0.972 0.020 . 2 . . . . A 103 VAL HG21 . 34912 1 988 . 1 . 1 103 103 VAL HG22 H 1 0.972 0.020 . 2 . . . . A 103 VAL HG22 . 34912 1 989 . 1 . 1 103 103 VAL HG23 H 1 0.972 0.020 . 2 . . . . A 103 VAL HG23 . 34912 1 990 . 1 . 1 103 103 VAL CA C 13 58.315 0.200 . 1 . . . . A 103 VAL CA . 34912 1 991 . 1 . 1 103 103 VAL CB C 13 33.974 0.200 . 1 . . . . A 103 VAL CB . 34912 1 992 . 1 . 1 103 103 VAL CG1 C 13 21.127 0.200 . 1 . . . . A 103 VAL CG1 . 34912 1 993 . 1 . 1 103 103 VAL CG2 C 13 17.593 0.200 . 1 . . . . A 103 VAL CG2 . 34912 1 994 . 1 . 1 103 103 VAL N N 15 110.057 0.015 . 1 . . . . A 103 VAL N . 34912 1 995 . 1 . 1 104 104 GLN H H 1 8.591 0.002 . 1 . . . . A 104 GLN H . 34912 1 996 . 1 . 1 104 104 GLN HA H 1 4.007 0.009 . 1 . . . . A 104 GLN HA . 34912 1 997 . 1 . 1 104 104 GLN HB2 H 1 1.808 0.020 . 2 . . . . A 104 GLN HB2 . 34912 1 998 . 1 . 1 104 104 GLN HB3 H 1 1.662 0.020 . 2 . . . . A 104 GLN HB3 . 34912 1 999 . 1 . 1 104 104 GLN HG2 H 1 2.363 0.020 . 2 . . . . A 104 GLN HG2 . 34912 1 1000 . 1 . 1 104 104 GLN HG3 H 1 2.300 0.020 . 2 . . . . A 104 GLN HG3 . 34912 1 1001 . 1 . 1 104 104 GLN HE21 H 1 7.532 0.001 . 2 . . . . A 104 GLN HE21 . 34912 1 1002 . 1 . 1 104 104 GLN HE22 H 1 6.903 0.005 . 2 . . . . A 104 GLN HE22 . 34912 1 1003 . 1 . 1 104 104 GLN CA C 13 58.541 0.070 . 1 . . . . A 104 GLN CA . 34912 1 1004 . 1 . 1 104 104 GLN CB C 13 27.805 0.043 . 1 . . . . A 104 GLN CB . 34912 1 1005 . 1 . 1 104 104 GLN CG C 13 34.026 0.021 . 1 . . . . A 104 GLN CG . 34912 1 1006 . 1 . 1 104 104 GLN N N 15 122.116 0.009 . 1 . . . . A 104 GLN N . 34912 1 1007 . 1 . 1 104 104 GLN NE2 N 15 112.337 0.017 . 1 . . . . A 104 GLN NE2 . 34912 1 1008 . 1 . 1 105 105 GLY H H 1 8.372 0.006 . 1 . . . . A 105 GLY H . 34912 1 1009 . 1 . 1 105 105 GLY HA2 H 1 3.463 0.012 . 2 . . . . A 105 GLY HA2 . 34912 1 1010 . 1 . 1 105 105 GLY HA3 H 1 2.995 0.010 . 2 . . . . A 105 GLY HA3 . 34912 1 1011 . 1 . 1 105 105 GLY CA C 13 44.272 0.116 . 1 . . . . A 105 GLY CA . 34912 1 1012 . 1 . 1 105 105 GLY N N 15 113.169 0.059 . 1 . . . . A 105 GLY N . 34912 1 1013 . 1 . 1 106 106 GLY H H 1 8.214 0.001 . 1 . . . . A 106 GLY H . 34912 1 1014 . 1 . 1 106 106 GLY HA2 H 1 4.459 0.009 . 2 . . . . A 106 GLY HA2 . 34912 1 1015 . 1 . 1 106 106 GLY HA3 H 1 3.746 0.013 . 2 . . . . A 106 GLY HA3 . 34912 1 1016 . 1 . 1 106 106 GLY CA C 13 43.859 0.092 . 1 . . . . A 106 GLY CA . 34912 1 1017 . 1 . 1 106 106 GLY N N 15 105.244 0.037 . 1 . . . . A 106 GLY N . 34912 1 1018 . 1 . 1 107 107 SER H H 1 7.125 0.004 . 1 . . . . A 107 SER H . 34912 1 1019 . 1 . 1 107 107 SER HA H 1 4.810 0.002 . 1 . . . . A 107 SER HA . 34912 1 1020 . 1 . 1 107 107 SER HB2 H 1 4.190 0.002 . 2 . . . . A 107 SER HB2 . 34912 1 1021 . 1 . 1 107 107 SER HB3 H 1 4.005 0.002 . 2 . . . . A 107 SER HB3 . 34912 1 1022 . 1 . 1 107 107 SER CA C 13 57.211 0.020 . 1 . . . . A 107 SER CA . 34912 1 1023 . 1 . 1 107 107 SER CB C 13 63.886 0.213 . 1 . . . . A 107 SER CB . 34912 1 1024 . 1 . 1 107 107 SER N N 15 115.503 0.029 . 1 . . . . A 107 SER N . 34912 1 1025 . 1 . 1 108 108 PRO HA H 1 4.049 0.005 . 1 . . . . A 108 PRO HA . 34912 1 1026 . 1 . 1 108 108 PRO HB2 H 1 2.380 0.013 . 2 . . . . A 108 PRO HB2 . 34912 1 1027 . 1 . 1 108 108 PRO HB3 H 1 1.909 0.016 . 2 . . . . A 108 PRO HB3 . 34912 1 1028 . 1 . 1 108 108 PRO HG2 H 1 2.148 0.013 . 2 . . . . A 108 PRO HG2 . 34912 1 1029 . 1 . 1 108 108 PRO HG3 H 1 1.982 0.017 . 2 . . . . A 108 PRO HG3 . 34912 1 1030 . 1 . 1 108 108 PRO HD2 H 1 3.910 0.008 . 2 . . . . A 108 PRO HD2 . 34912 1 1031 . 1 . 1 108 108 PRO HD3 H 1 3.823 0.020 . 2 . . . . A 108 PRO HD3 . 34912 1 1032 . 1 . 1 108 108 PRO CA C 13 65.963 0.117 . 1 . . . . A 108 PRO CA . 34912 1 1033 . 1 . 1 108 108 PRO CB C 13 32.239 0.088 . 1 . . . . A 108 PRO CB . 34912 1 1034 . 1 . 1 108 108 PRO CG C 13 27.669 0.125 . 1 . . . . A 108 PRO CG . 34912 1 1035 . 1 . 1 108 108 PRO CD C 13 50.744 0.077 . 1 . . . . A 108 PRO CD . 34912 1 1036 . 1 . 1 109 109 GLN H H 1 8.323 0.006 . 1 . . . . A 109 GLN H . 34912 1 1037 . 1 . 1 109 109 GLN HA H 1 4.223 0.014 . 1 . . . . A 109 GLN HA . 34912 1 1038 . 1 . 1 109 109 GLN HB2 H 1 1.557 0.018 . 2 . . . . A 109 GLN HB2 . 34912 1 1039 . 1 . 1 109 109 GLN HB3 H 1 1.557 0.018 . 2 . . . . A 109 GLN HB3 . 34912 1 1040 . 1 . 1 109 109 GLN HG2 H 1 2.149 0.020 . 2 . . . . A 109 GLN HG2 . 34912 1 1041 . 1 . 1 109 109 GLN HG3 H 1 2.149 0.020 . 2 . . . . A 109 GLN HG3 . 34912 1 1042 . 1 . 1 109 109 GLN HE21 H 1 7.459 0.001 . 2 . . . . A 109 GLN HE21 . 34912 1 1043 . 1 . 1 109 109 GLN HE22 H 1 6.843 0.020 . 2 . . . . A 109 GLN HE22 . 34912 1 1044 . 1 . 1 109 109 GLN CA C 13 57.393 0.133 . 1 . . . . A 109 GLN CA . 34912 1 1045 . 1 . 1 109 109 GLN CB C 13 29.390 0.064 . 1 . . . . A 109 GLN CB . 34912 1 1046 . 1 . 1 109 109 GLN CG C 13 34.168 0.200 . 1 . . . . A 109 GLN CG . 34912 1 1047 . 1 . 1 109 109 GLN N N 15 110.572 0.075 . 1 . . . . A 109 GLN N . 34912 1 1048 . 1 . 1 109 109 GLN NE2 N 15 111.643 0.200 . 1 . . . . A 109 GLN NE2 . 34912 1 1049 . 1 . 1 110 110 TYR H H 1 7.053 0.011 . 1 . . . . A 110 TYR H . 34912 1 1050 . 1 . 1 110 110 TYR HB2 H 1 3.364 0.003 . 2 . . . . A 110 TYR HB2 . 34912 1 1051 . 1 . 1 110 110 TYR HB3 H 1 3.091 0.020 . 2 . . . . A 110 TYR HB3 . 34912 1 1052 . 1 . 1 110 110 TYR HD1 H 1 7.133 0.018 . 1 . . . . A 110 TYR HD1 . 34912 1 1053 . 1 . 1 110 110 TYR HD2 H 1 7.133 0.018 . 1 . . . . A 110 TYR HD2 . 34912 1 1054 . 1 . 1 110 110 TYR CB C 13 41.101 0.041 . 1 . . . . A 110 TYR CB . 34912 1 1055 . 1 . 1 110 110 TYR CD1 C 13 134.151 0.104 . 1 . . . . A 110 TYR CD1 . 34912 1 1056 . 1 . 1 110 110 TYR CD2 C 13 134.151 0.104 . 1 . . . . A 110 TYR CD2 . 34912 1 1057 . 1 . 1 110 110 TYR N N 15 112.556 0.039 . 1 . . . . A 110 TYR N . 34912 1 1058 . 1 . 1 111 111 GLY HA2 H 1 4.534 0.006 . 2 . . . . A 111 GLY HA2 . 34912 1 1059 . 1 . 1 111 111 GLY HA3 H 1 3.626 0.010 . 2 . . . . A 111 GLY HA3 . 34912 1 1060 . 1 . 1 111 111 GLY CA C 13 45.718 0.108 . 1 . . . . A 111 GLY CA . 34912 1 1061 . 1 . 1 112 112 HIS H H 1 8.874 0.005 . 1 . . . . A 112 HIS H . 34912 1 1062 . 1 . 1 112 112 HIS HA H 1 5.099 0.020 . 1 . . . . A 112 HIS HA . 34912 1 1063 . 1 . 1 112 112 HIS HB2 H 1 3.524 0.001 . 2 . . . . A 112 HIS HB2 . 34912 1 1064 . 1 . 1 112 112 HIS HB3 H 1 3.172 0.020 . 2 . . . . A 112 HIS HB3 . 34912 1 1065 . 1 . 1 112 112 HIS CA C 13 58.013 0.200 . 1 . . . . A 112 HIS CA . 34912 1 1066 . 1 . 1 112 112 HIS CB C 13 34.625 0.013 . 1 . . . . A 112 HIS CB . 34912 1 1067 . 1 . 1 112 112 HIS N N 15 121.017 0.005 . 1 . . . . A 112 HIS N . 34912 1 1068 . 1 . 1 113 113 VAL H H 1 6.141 0.005 . 1 . . . . A 113 VAL H . 34912 1 1069 . 1 . 1 113 113 VAL HA H 1 5.623 0.011 . 1 . . . . A 113 VAL HA . 34912 1 1070 . 1 . 1 113 113 VAL HB H 1 1.210 0.020 . 1 . . . . A 113 VAL HB . 34912 1 1071 . 1 . 1 113 113 VAL HG11 H 1 0.433 0.020 . 2 . . . . A 113 VAL HG11 . 34912 1 1072 . 1 . 1 113 113 VAL HG12 H 1 0.433 0.020 . 2 . . . . A 113 VAL HG12 . 34912 1 1073 . 1 . 1 113 113 VAL HG13 H 1 0.433 0.020 . 2 . . . . A 113 VAL HG13 . 34912 1 1074 . 1 . 1 113 113 VAL HG21 H 1 0.056 0.020 . 2 . . . . A 113 VAL HG21 . 34912 1 1075 . 1 . 1 113 113 VAL HG22 H 1 0.056 0.020 . 2 . . . . A 113 VAL HG22 . 34912 1 1076 . 1 . 1 113 113 VAL HG23 H 1 0.056 0.020 . 2 . . . . A 113 VAL HG23 . 34912 1 1077 . 1 . 1 113 113 VAL CA C 13 57.316 0.200 . 1 . . . . A 113 VAL CA . 34912 1 1078 . 1 . 1 113 113 VAL CB C 13 33.304 0.200 . 1 . . . . A 113 VAL CB . 34912 1 1079 . 1 . 1 113 113 VAL CG1 C 13 23.332 0.200 . 1 . . . . A 113 VAL CG1 . 34912 1 1080 . 1 . 1 113 113 VAL CG2 C 13 18.547 0.200 . 1 . . . . A 113 VAL CG2 . 34912 1 1081 . 1 . 1 113 113 VAL N N 15 121.944 0.020 . 1 . . . . A 113 VAL N . 34912 1 1082 . 1 . 1 114 114 ALA H H 1 9.000 0.004 . 1 . . . . A 114 ALA H . 34912 1 1083 . 1 . 1 114 114 ALA HA H 1 4.953 0.006 . 1 . . . . A 114 ALA HA . 34912 1 1084 . 1 . 1 114 114 ALA HB1 H 1 1.648 0.008 . 1 . . . . A 114 ALA HB1 . 34912 1 1085 . 1 . 1 114 114 ALA HB2 H 1 1.648 0.008 . 1 . . . . A 114 ALA HB2 . 34912 1 1086 . 1 . 1 114 114 ALA HB3 H 1 1.648 0.008 . 1 . . . . A 114 ALA HB3 . 34912 1 1087 . 1 . 1 114 114 ALA CA C 13 50.172 0.024 . 1 . . . . A 114 ALA CA . 34912 1 1088 . 1 . 1 114 114 ALA CB C 13 25.521 0.059 . 1 . . . . A 114 ALA CB . 34912 1 1089 . 1 . 1 114 114 ALA N N 15 126.544 0.013 . 1 . . . . A 114 ALA N . 34912 1 1090 . 1 . 1 115 115 PHE H H 1 9.767 0.004 . 1 . . . . A 115 PHE H . 34912 1 1091 . 1 . 1 115 115 PHE HA H 1 5.190 0.007 . 1 . . . . A 115 PHE HA . 34912 1 1092 . 1 . 1 115 115 PHE HB2 H 1 3.579 0.014 . 2 . . . . A 115 PHE HB2 . 34912 1 1093 . 1 . 1 115 115 PHE HB3 H 1 2.601 0.008 . 2 . . . . A 115 PHE HB3 . 34912 1 1094 . 1 . 1 115 115 PHE HD1 H 1 7.086 0.020 . 1 . . . . A 115 PHE HD1 . 34912 1 1095 . 1 . 1 115 115 PHE HD2 H 1 7.086 0.020 . 1 . . . . A 115 PHE HD2 . 34912 1 1096 . 1 . 1 115 115 PHE HE1 H 1 7.124 0.020 . 1 . . . . A 115 PHE HE1 . 34912 1 1097 . 1 . 1 115 115 PHE HE2 H 1 7.124 0.020 . 1 . . . . A 115 PHE HE2 . 34912 1 1098 . 1 . 1 115 115 PHE HZ H 1 6.850 0.020 . 1 . . . . A 115 PHE HZ . 34912 1 1099 . 1 . 1 115 115 PHE CA C 13 57.456 0.084 . 1 . . . . A 115 PHE CA . 34912 1 1100 . 1 . 1 115 115 PHE CB C 13 42.726 0.151 . 1 . . . . A 115 PHE CB . 34912 1 1101 . 1 . 1 115 115 PHE CD1 C 13 131.279 0.200 . 1 . . . . A 115 PHE CD1 . 34912 1 1102 . 1 . 1 115 115 PHE CD2 C 13 131.279 0.200 . 1 . . . . A 115 PHE CD2 . 34912 1 1103 . 1 . 1 115 115 PHE CE1 C 13 130.572 0.200 . 1 . . . . A 115 PHE CE1 . 34912 1 1104 . 1 . 1 115 115 PHE CE2 C 13 130.572 0.200 . 1 . . . . A 115 PHE CE2 . 34912 1 1105 . 1 . 1 115 115 PHE CZ C 13 129.746 0.041 . 1 . . . . A 115 PHE CZ . 34912 1 1106 . 1 . 1 115 115 PHE N N 15 121.723 0.018 . 1 . . . . A 115 PHE N . 34912 1 1107 . 1 . 1 116 116 VAL H H 1 8.058 0.006 . 1 . . . . A 116 VAL H . 34912 1 1108 . 1 . 1 116 116 VAL HA H 1 3.911 0.020 . 1 . . . . A 116 VAL HA . 34912 1 1109 . 1 . 1 116 116 VAL HB H 1 2.279 0.020 . 1 . . . . A 116 VAL HB . 34912 1 1110 . 1 . 1 116 116 VAL HG11 H 1 0.592 0.020 . 2 . . . . A 116 VAL HG11 . 34912 1 1111 . 1 . 1 116 116 VAL HG12 H 1 0.592 0.020 . 2 . . . . A 116 VAL HG12 . 34912 1 1112 . 1 . 1 116 116 VAL HG13 H 1 0.592 0.020 . 2 . . . . A 116 VAL HG13 . 34912 1 1113 . 1 . 1 116 116 VAL HG21 H 1 0.918 0.020 . 2 . . . . A 116 VAL HG21 . 34912 1 1114 . 1 . 1 116 116 VAL HG22 H 1 0.918 0.020 . 2 . . . . A 116 VAL HG22 . 34912 1 1115 . 1 . 1 116 116 VAL HG23 H 1 0.918 0.020 . 2 . . . . A 116 VAL HG23 . 34912 1 1116 . 1 . 1 116 116 VAL CA C 13 63.653 0.052 . 1 . . . . A 116 VAL CA . 34912 1 1117 . 1 . 1 116 116 VAL CB C 13 30.438 0.045 . 1 . . . . A 116 VAL CB . 34912 1 1118 . 1 . 1 116 116 VAL CG1 C 13 23.086 0.033 . 1 . . . . A 116 VAL CG1 . 34912 1 1119 . 1 . 1 116 116 VAL CG2 C 13 22.480 0.200 . 1 . . . . A 116 VAL CG2 . 34912 1 1120 . 1 . 1 116 116 VAL N N 15 125.009 0.023 . 1 . . . . A 116 VAL N . 34912 1 1121 . 1 . 1 117 117 GLU H H 1 8.660 0.006 . 1 . . . . A 117 GLU H . 34912 1 1122 . 1 . 1 117 117 GLU HA H 1 4.467 0.006 . 1 . . . . A 117 GLU HA . 34912 1 1123 . 1 . 1 117 117 GLU HB2 H 1 2.490 0.013 . 2 . . . . A 117 GLU HB2 . 34912 1 1124 . 1 . 1 117 117 GLU HB3 H 1 2.031 0.016 . 2 . . . . A 117 GLU HB3 . 34912 1 1125 . 1 . 1 117 117 GLU CA C 13 57.751 0.027 . 1 . . . . A 117 GLU CA . 34912 1 1126 . 1 . 1 117 117 GLU CB C 13 30.440 0.151 . 1 . . . . A 117 GLU CB . 34912 1 1127 . 1 . 1 117 117 GLU N N 15 130.157 0.027 . 1 . . . . A 117 GLU N . 34912 1 1128 . 1 . 1 118 118 LYS H H 1 8.309 0.013 . 1 . . . . A 118 LYS H . 34912 1 1129 . 1 . 1 118 118 LYS HA H 1 4.675 0.020 . 1 . . . . A 118 LYS HA . 34912 1 1130 . 1 . 1 118 118 LYS HB2 H 1 1.875 0.012 . 2 . . . . A 118 LYS HB2 . 34912 1 1131 . 1 . 1 118 118 LYS HB3 H 1 1.807 0.007 . 2 . . . . A 118 LYS HB3 . 34912 1 1132 . 1 . 1 118 118 LYS HG2 H 1 1.587 0.005 . 2 . . . . A 118 LYS HG2 . 34912 1 1133 . 1 . 1 118 118 LYS HG3 H 1 1.482 0.002 . 2 . . . . A 118 LYS HG3 . 34912 1 1134 . 1 . 1 118 118 LYS HD2 H 1 1.664 0.010 . 2 . . . . A 118 LYS HD2 . 34912 1 1135 . 1 . 1 118 118 LYS HD3 H 1 1.559 0.020 . 2 . . . . A 118 LYS HD3 . 34912 1 1136 . 1 . 1 118 118 LYS HE2 H 1 2.941 0.020 . 2 . . . . A 118 LYS HE2 . 34912 1 1137 . 1 . 1 118 118 LYS HE3 H 1 2.941 0.020 . 2 . . . . A 118 LYS HE3 . 34912 1 1138 . 1 . 1 118 118 LYS CA C 13 56.118 0.200 . 1 . . . . A 118 LYS CA . 34912 1 1139 . 1 . 1 118 118 LYS CB C 13 38.602 0.083 . 1 . . . . A 118 LYS CB . 34912 1 1140 . 1 . 1 118 118 LYS CG C 13 26.100 0.062 . 1 . . . . A 118 LYS CG . 34912 1 1141 . 1 . 1 118 118 LYS CD C 13 29.804 0.097 . 1 . . . . A 118 LYS CD . 34912 1 1142 . 1 . 1 118 118 LYS CE C 13 41.998 0.200 . 1 . . . . A 118 LYS CE . 34912 1 1143 . 1 . 1 118 118 LYS N N 15 113.782 0.037 . 1 . . . . A 118 LYS N . 34912 1 1144 . 1 . 1 119 119 VAL H H 1 9.277 0.002 . 1 . . . . A 119 VAL H . 34912 1 1145 . 1 . 1 119 119 VAL HA H 1 4.169 0.020 . 1 . . . . A 119 VAL HA . 34912 1 1146 . 1 . 1 119 119 VAL HB H 1 1.868 0.020 . 1 . . . . A 119 VAL HB . 34912 1 1147 . 1 . 1 119 119 VAL HG11 H 1 0.877 0.020 . 2 . . . . A 119 VAL HG11 . 34912 1 1148 . 1 . 1 119 119 VAL HG12 H 1 0.877 0.020 . 2 . . . . A 119 VAL HG12 . 34912 1 1149 . 1 . 1 119 119 VAL HG13 H 1 0.877 0.020 . 2 . . . . A 119 VAL HG13 . 34912 1 1150 . 1 . 1 119 119 VAL HG21 H 1 0.609 0.005 . 2 . . . . A 119 VAL HG21 . 34912 1 1151 . 1 . 1 119 119 VAL HG22 H 1 0.609 0.005 . 2 . . . . A 119 VAL HG22 . 34912 1 1152 . 1 . 1 119 119 VAL HG23 H 1 0.609 0.005 . 2 . . . . A 119 VAL HG23 . 34912 1 1153 . 1 . 1 119 119 VAL CA C 13 62.625 0.074 . 1 . . . . A 119 VAL CA . 34912 1 1154 . 1 . 1 119 119 VAL CB C 13 32.044 0.086 . 1 . . . . A 119 VAL CB . 34912 1 1155 . 1 . 1 119 119 VAL CG1 C 13 22.145 0.031 . 1 . . . . A 119 VAL CG1 . 34912 1 1156 . 1 . 1 119 119 VAL CG2 C 13 21.945 0.041 . 1 . . . . A 119 VAL CG2 . 34912 1 1157 . 1 . 1 119 119 VAL N N 15 124.402 0.049 . 1 . . . . A 119 VAL N . 34912 1 1158 . 1 . 1 120 120 LEU H H 1 8.599 0.005 . 1 . . . . A 120 LEU H . 34912 1 1159 . 1 . 1 120 120 LEU HA H 1 4.826 0.020 . 1 . . . . A 120 LEU HA . 34912 1 1160 . 1 . 1 120 120 LEU HB2 H 1 1.526 0.005 . 2 . . . . A 120 LEU HB2 . 34912 1 1161 . 1 . 1 120 120 LEU HB3 H 1 1.403 0.001 . 2 . . . . A 120 LEU HB3 . 34912 1 1162 . 1 . 1 120 120 LEU HG H 1 1.363 0.001 . 1 . . . . A 120 LEU HG . 34912 1 1163 . 1 . 1 120 120 LEU HD11 H 1 0.775 0.020 . 2 . . . . A 120 LEU HD11 . 34912 1 1164 . 1 . 1 120 120 LEU HD12 H 1 0.775 0.020 . 2 . . . . A 120 LEU HD12 . 34912 1 1165 . 1 . 1 120 120 LEU HD13 H 1 0.775 0.020 . 2 . . . . A 120 LEU HD13 . 34912 1 1166 . 1 . 1 120 120 LEU HD21 H 1 0.726 0.020 . 2 . . . . A 120 LEU HD21 . 34912 1 1167 . 1 . 1 120 120 LEU HD22 H 1 0.726 0.020 . 2 . . . . A 120 LEU HD22 . 34912 1 1168 . 1 . 1 120 120 LEU HD23 H 1 0.726 0.020 . 2 . . . . A 120 LEU HD23 . 34912 1 1169 . 1 . 1 120 120 LEU CA C 13 53.253 0.048 . 1 . . . . A 120 LEU CA . 34912 1 1170 . 1 . 1 120 120 LEU CB C 13 44.622 0.117 . 1 . . . . A 120 LEU CB . 34912 1 1171 . 1 . 1 120 120 LEU CG C 13 27.558 0.096 . 1 . . . . A 120 LEU CG . 34912 1 1172 . 1 . 1 120 120 LEU CD1 C 13 25.963 0.047 . 1 . . . . A 120 LEU CD1 . 34912 1 1173 . 1 . 1 120 120 LEU CD2 C 13 23.769 0.046 . 1 . . . . A 120 LEU CD2 . 34912 1 1174 . 1 . 1 120 120 LEU N N 15 126.248 0.021 . 1 . . . . A 120 LEU N . 34912 1 1175 . 1 . 1 121 121 ASP H H 1 9.232 0.005 . 1 . . . . A 121 ASP H . 34912 1 1176 . 1 . 1 121 121 ASP HA H 1 4.309 0.003 . 1 . . . . A 121 ASP HA . 34912 1 1177 . 1 . 1 121 121 ASP HB2 H 1 2.931 0.006 . 2 . . . . A 121 ASP HB2 . 34912 1 1178 . 1 . 1 121 121 ASP HB3 H 1 2.390 0.011 . 2 . . . . A 121 ASP HB3 . 34912 1 1179 . 1 . 1 121 121 ASP CA C 13 54.872 0.075 . 1 . . . . A 121 ASP CA . 34912 1 1180 . 1 . 1 121 121 ASP CB C 13 40.019 0.084 . 1 . . . . A 121 ASP CB . 34912 1 1181 . 1 . 1 121 121 ASP N N 15 120.550 0.042 . 1 . . . . A 121 ASP N . 34912 1 1182 . 1 . 1 122 122 GLY H H 1 8.652 0.003 . 1 . . . . A 122 GLY H . 34912 1 1183 . 1 . 1 122 122 GLY HA2 H 1 3.919 0.011 . 2 . . . . A 122 GLY HA2 . 34912 1 1184 . 1 . 1 122 122 GLY HA3 H 1 3.722 0.004 . 2 . . . . A 122 GLY HA3 . 34912 1 1185 . 1 . 1 122 122 GLY CA C 13 46.740 0.063 . 1 . . . . A 122 GLY CA . 34912 1 1186 . 1 . 1 122 122 GLY N N 15 105.831 0.058 . 1 . . . . A 122 GLY N . 34912 1 1187 . 1 . 1 123 123 GLY H H 1 7.685 0.002 . 1 . . . . A 123 GLY H . 34912 1 1188 . 1 . 1 123 123 GLY HA2 H 1 4.452 0.006 . 2 . . . . A 123 GLY HA2 . 34912 1 1189 . 1 . 1 123 123 GLY HA3 H 1 3.204 0.007 . 2 . . . . A 123 GLY HA3 . 34912 1 1190 . 1 . 1 123 123 GLY CA C 13 44.282 0.052 . 1 . . . . A 123 GLY CA . 34912 1 1191 . 1 . 1 123 123 GLY N N 15 104.961 0.013 . 1 . . . . A 123 GLY N . 34912 1 1192 . 1 . 1 124 124 LYS H H 1 7.310 0.002 . 1 . . . . A 124 LYS H . 34912 1 1193 . 1 . 1 124 124 LYS HA H 1 4.131 0.003 . 1 . . . . A 124 LYS HA . 34912 1 1194 . 1 . 1 124 124 LYS HB2 H 1 2.115 0.006 . 2 . . . . A 124 LYS HB2 . 34912 1 1195 . 1 . 1 124 124 LYS HB3 H 1 1.900 0.006 . 2 . . . . A 124 LYS HB3 . 34912 1 1196 . 1 . 1 124 124 LYS HG2 H 1 1.684 0.009 . 2 . . . . A 124 LYS HG2 . 34912 1 1197 . 1 . 1 124 124 LYS HG3 H 1 1.460 0.010 . 2 . . . . A 124 LYS HG3 . 34912 1 1198 . 1 . 1 124 124 LYS HD2 H 1 1.752 0.005 . 2 . . . . A 124 LYS HD2 . 34912 1 1199 . 1 . 1 124 124 LYS HD3 H 1 1.752 0.005 . 2 . . . . A 124 LYS HD3 . 34912 1 1200 . 1 . 1 124 124 LYS HE2 H 1 3.025 0.007 . 2 . . . . A 124 LYS HE2 . 34912 1 1201 . 1 . 1 124 124 LYS HE3 H 1 3.025 0.007 . 2 . . . . A 124 LYS HE3 . 34912 1 1202 . 1 . 1 124 124 LYS CA C 13 58.710 0.090 . 1 . . . . A 124 LYS CA . 34912 1 1203 . 1 . 1 124 124 LYS CB C 13 33.525 0.116 . 1 . . . . A 124 LYS CB . 34912 1 1204 . 1 . 1 124 124 LYS CG C 13 26.007 0.063 . 1 . . . . A 124 LYS CG . 34912 1 1205 . 1 . 1 124 124 LYS CD C 13 29.013 0.094 . 1 . . . . A 124 LYS CD . 34912 1 1206 . 1 . 1 124 124 LYS CE C 13 42.054 0.092 . 1 . . . . A 124 LYS CE . 34912 1 1207 . 1 . 1 124 124 LYS N N 15 117.840 0.013 . 1 . . . . A 124 LYS N . 34912 1 1208 . 1 . 1 125 125 LYS H H 1 7.829 0.003 . 1 . . . . A 125 LYS H . 34912 1 1209 . 1 . 1 125 125 LYS HA H 1 5.411 0.009 . 1 . . . . A 125 LYS HA . 34912 1 1210 . 1 . 1 125 125 LYS HB2 H 1 1.643 0.010 . 2 . . . . A 125 LYS HB2 . 34912 1 1211 . 1 . 1 125 125 LYS HB3 H 1 1.504 0.011 . 2 . . . . A 125 LYS HB3 . 34912 1 1212 . 1 . 1 125 125 LYS HG2 H 1 1.430 0.033 . 2 . . . . A 125 LYS HG2 . 34912 1 1213 . 1 . 1 125 125 LYS HG3 H 1 1.383 0.028 . 2 . . . . A 125 LYS HG3 . 34912 1 1214 . 1 . 1 125 125 LYS HD2 H 1 1.527 0.009 . 2 . . . . A 125 LYS HD2 . 34912 1 1215 . 1 . 1 125 125 LYS HD3 H 1 1.527 0.009 . 2 . . . . A 125 LYS HD3 . 34912 1 1216 . 1 . 1 125 125 LYS HE2 H 1 2.904 0.013 . 2 . . . . A 125 LYS HE2 . 34912 1 1217 . 1 . 1 125 125 LYS HE3 H 1 2.904 0.013 . 2 . . . . A 125 LYS HE3 . 34912 1 1218 . 1 . 1 125 125 LYS CA C 13 54.412 0.079 . 1 . . . . A 125 LYS CA . 34912 1 1219 . 1 . 1 125 125 LYS CB C 13 38.810 0.090 . 1 . . . . A 125 LYS CB . 34912 1 1220 . 1 . 1 125 125 LYS CG C 13 25.852 0.062 . 1 . . . . A 125 LYS CG . 34912 1 1221 . 1 . 1 125 125 LYS CD C 13 29.981 0.094 . 1 . . . . A 125 LYS CD . 34912 1 1222 . 1 . 1 125 125 LYS CE C 13 42.163 0.043 . 1 . . . . A 125 LYS CE . 34912 1 1223 . 1 . 1 125 125 LYS N N 15 114.480 0.021 . 1 . . . . A 125 LYS N . 34912 1 1224 . 1 . 1 126 126 ILE H H 1 8.808 0.002 . 1 . . . . A 126 ILE H . 34912 1 1225 . 1 . 1 126 126 ILE HA H 1 5.053 0.020 . 1 . . . . A 126 ILE HA . 34912 1 1226 . 1 . 1 126 126 ILE HB H 1 1.823 0.020 . 1 . . . . A 126 ILE HB . 34912 1 1227 . 1 . 1 126 126 ILE HG12 H 1 1.663 0.020 . 2 . . . . A 126 ILE HG12 . 34912 1 1228 . 1 . 1 126 126 ILE HG13 H 1 1.307 0.020 . 2 . . . . A 126 ILE HG13 . 34912 1 1229 . 1 . 1 126 126 ILE HG21 H 1 0.955 0.020 . 1 . . . . A 126 ILE HG21 . 34912 1 1230 . 1 . 1 126 126 ILE HG22 H 1 0.955 0.020 . 1 . . . . A 126 ILE HG22 . 34912 1 1231 . 1 . 1 126 126 ILE HG23 H 1 0.955 0.020 . 1 . . . . A 126 ILE HG23 . 34912 1 1232 . 1 . 1 126 126 ILE HD11 H 1 0.929 0.020 . 1 . . . . A 126 ILE HD11 . 34912 1 1233 . 1 . 1 126 126 ILE HD12 H 1 0.929 0.020 . 1 . . . . A 126 ILE HD12 . 34912 1 1234 . 1 . 1 126 126 ILE HD13 H 1 0.929 0.020 . 1 . . . . A 126 ILE HD13 . 34912 1 1235 . 1 . 1 126 126 ILE CA C 13 59.467 0.051 . 1 . . . . A 126 ILE CA . 34912 1 1236 . 1 . 1 126 126 ILE CB C 13 42.237 0.068 . 1 . . . . A 126 ILE CB . 34912 1 1237 . 1 . 1 126 126 ILE CG1 C 13 25.200 0.131 . 1 . . . . A 126 ILE CG1 . 34912 1 1238 . 1 . 1 126 126 ILE CG2 C 13 19.894 0.088 . 1 . . . . A 126 ILE CG2 . 34912 1 1239 . 1 . 1 126 126 ILE CD1 C 13 13.508 0.168 . 1 . . . . A 126 ILE CD1 . 34912 1 1240 . 1 . 1 126 126 ILE N N 15 110.744 0.050 . 1 . . . . A 126 ILE N . 34912 1 1241 . 1 . 1 127 127 PHE H H 1 9.051 0.004 . 1 . . . . A 127 PHE H . 34912 1 1242 . 1 . 1 127 127 PHE HA H 1 5.640 0.010 . 1 . . . . A 127 PHE HA . 34912 1 1243 . 1 . 1 127 127 PHE HB2 H 1 2.951 0.011 . 2 . . . . A 127 PHE HB2 . 34912 1 1244 . 1 . 1 127 127 PHE HB3 H 1 2.951 0.011 . 2 . . . . A 127 PHE HB3 . 34912 1 1245 . 1 . 1 127 127 PHE HD1 H 1 7.260 0.011 . 1 . . . . A 127 PHE HD1 . 34912 1 1246 . 1 . 1 127 127 PHE HD2 H 1 7.260 0.011 . 1 . . . . A 127 PHE HD2 . 34912 1 1247 . 1 . 1 127 127 PHE CA C 13 56.142 0.044 . 1 . . . . A 127 PHE CA . 34912 1 1248 . 1 . 1 127 127 PHE CB C 13 41.918 0.086 . 1 . . . . A 127 PHE CB . 34912 1 1249 . 1 . 1 127 127 PHE CD1 C 13 131.939 0.071 . 1 . . . . A 127 PHE CD1 . 34912 1 1250 . 1 . 1 127 127 PHE CD2 C 13 131.939 0.071 . 1 . . . . A 127 PHE CD2 . 34912 1 1251 . 1 . 1 127 127 PHE N N 15 125.126 0.104 . 1 . . . . A 127 PHE N . 34912 1 1252 . 1 . 1 128 128 ILE H H 1 8.939 0.006 . 1 . . . . A 128 ILE H . 34912 1 1253 . 1 . 1 128 128 ILE HA H 1 5.588 0.020 . 1 . . . . A 128 ILE HA . 34912 1 1254 . 1 . 1 128 128 ILE HB H 1 1.893 0.020 . 1 . . . . A 128 ILE HB . 34912 1 1255 . 1 . 1 128 128 ILE HG12 H 1 1.224 0.020 . 2 . . . . A 128 ILE HG12 . 34912 1 1256 . 1 . 1 128 128 ILE HG13 H 1 0.832 0.020 . 2 . . . . A 128 ILE HG13 . 34912 1 1257 . 1 . 1 128 128 ILE HG21 H 1 0.816 0.020 . 1 . . . . A 128 ILE HG21 . 34912 1 1258 . 1 . 1 128 128 ILE HG22 H 1 0.816 0.020 . 1 . . . . A 128 ILE HG22 . 34912 1 1259 . 1 . 1 128 128 ILE HG23 H 1 0.816 0.020 . 1 . . . . A 128 ILE HG23 . 34912 1 1260 . 1 . 1 128 128 ILE HD11 H 1 0.581 0.006 . 1 . . . . A 128 ILE HD11 . 34912 1 1261 . 1 . 1 128 128 ILE HD12 H 1 0.581 0.006 . 1 . . . . A 128 ILE HD12 . 34912 1 1262 . 1 . 1 128 128 ILE HD13 H 1 0.581 0.006 . 1 . . . . A 128 ILE HD13 . 34912 1 1263 . 1 . 1 128 128 ILE CA C 13 57.848 0.141 . 1 . . . . A 128 ILE CA . 34912 1 1264 . 1 . 1 128 128 ILE CB C 13 41.365 0.064 . 1 . . . . A 128 ILE CB . 34912 1 1265 . 1 . 1 128 128 ILE CG1 C 13 25.640 0.083 . 1 . . . . A 128 ILE CG1 . 34912 1 1266 . 1 . 1 128 128 ILE CG2 C 13 19.208 0.051 . 1 . . . . A 128 ILE CG2 . 34912 1 1267 . 1 . 1 128 128 ILE CD1 C 13 14.485 0.105 . 1 . . . . A 128 ILE CD1 . 34912 1 1268 . 1 . 1 128 128 ILE N N 15 120.224 0.048 . 1 . . . . A 128 ILE N . 34912 1 1269 . 1 . 1 129 129 SER H H 1 9.381 0.009 . 1 . . . . A 129 SER H . 34912 1 1270 . 1 . 1 129 129 SER HA H 1 5.099 0.004 . 1 . . . . A 129 SER HA . 34912 1 1271 . 1 . 1 129 129 SER HB2 H 1 3.946 0.020 . 2 . . . . A 129 SER HB2 . 34912 1 1272 . 1 . 1 129 129 SER HB3 H 1 3.797 0.020 . 2 . . . . A 129 SER HB3 . 34912 1 1273 . 1 . 1 129 129 SER CA C 13 55.391 0.039 . 1 . . . . A 129 SER CA . 34912 1 1274 . 1 . 1 129 129 SER CB C 13 65.956 0.034 . 1 . . . . A 129 SER CB . 34912 1 1275 . 1 . 1 129 129 SER N N 15 112.679 0.045 . 1 . . . . A 129 SER N . 34912 1 1276 . 1 . 1 130 130 GLU H H 1 8.162 0.004 . 1 . . . . A 130 GLU H . 34912 1 1277 . 1 . 1 130 130 GLU N N 15 116.344 0.060 . 1 . . . . A 130 GLU N . 34912 1 1278 . 1 . 1 131 131 HIS HA H 1 5.253 0.006 . 1 . . . . A 131 HIS HA . 34912 1 1279 . 1 . 1 131 131 HIS HB2 H 1 2.993 0.020 . 2 . . . . A 131 HIS HB2 . 34912 1 1280 . 1 . 1 131 131 HIS HB3 H 1 2.993 0.020 . 2 . . . . A 131 HIS HB3 . 34912 1 1281 . 1 . 1 131 131 HIS CA C 13 54.344 0.025 . 1 . . . . A 131 HIS CA . 34912 1 1282 . 1 . 1 131 131 HIS CB C 13 29.679 0.200 . 1 . . . . A 131 HIS CB . 34912 1 1283 . 1 . 1 132 132 ASN H H 1 8.645 0.001 . 1 . . . . A 132 ASN H . 34912 1 1284 . 1 . 1 132 132 ASN HA H 1 4.932 0.010 . 1 . . . . A 132 ASN HA . 34912 1 1285 . 1 . 1 132 132 ASN CA C 13 54.016 0.114 . 1 . . . . A 132 ASN CA . 34912 1 1286 . 1 . 1 132 132 ASN N N 15 111.579 0.006 . 1 . . . . A 132 ASN N . 34912 1 1287 . 1 . 1 133 133 TYR H H 1 9.072 0.006 . 1 . . . . A 133 TYR H . 34912 1 1288 . 1 . 1 133 133 TYR HA H 1 4.293 0.005 . 1 . . . . A 133 TYR HA . 34912 1 1289 . 1 . 1 133 133 TYR HB2 H 1 2.739 0.012 . 2 . . . . A 133 TYR HB2 . 34912 1 1290 . 1 . 1 133 133 TYR HB3 H 1 2.032 0.015 . 2 . . . . A 133 TYR HB3 . 34912 1 1291 . 1 . 1 133 133 TYR HD1 H 1 5.818 0.009 . 1 . . . . A 133 TYR HD1 . 34912 1 1292 . 1 . 1 133 133 TYR HD2 H 1 5.818 0.009 . 1 . . . . A 133 TYR HD2 . 34912 1 1293 . 1 . 1 133 133 TYR CA C 13 59.789 0.054 . 1 . . . . A 133 TYR CA . 34912 1 1294 . 1 . 1 133 133 TYR CB C 13 38.957 0.091 . 1 . . . . A 133 TYR CB . 34912 1 1295 . 1 . 1 133 133 TYR CD1 C 13 131.943 0.134 . 1 . . . . A 133 TYR CD1 . 34912 1 1296 . 1 . 1 133 133 TYR CD2 C 13 131.943 0.134 . 1 . . . . A 133 TYR CD2 . 34912 1 1297 . 1 . 1 133 133 TYR N N 15 121.196 0.029 . 1 . . . . A 133 TYR N . 34912 1 1298 . 1 . 1 134 134 ALA H H 1 8.315 0.009 . 1 . . . . A 134 ALA H . 34912 1 1299 . 1 . 1 134 134 ALA HA H 1 4.034 0.003 . 1 . . . . A 134 ALA HA . 34912 1 1300 . 1 . 1 134 134 ALA HB1 H 1 1.416 0.002 . 1 . . . . A 134 ALA HB1 . 34912 1 1301 . 1 . 1 134 134 ALA HB2 H 1 1.416 0.002 . 1 . . . . A 134 ALA HB2 . 34912 1 1302 . 1 . 1 134 134 ALA HB3 H 1 1.416 0.002 . 1 . . . . A 134 ALA HB3 . 34912 1 1303 . 1 . 1 134 134 ALA CA C 13 53.966 0.042 . 1 . . . . A 134 ALA CA . 34912 1 1304 . 1 . 1 134 134 ALA CB C 13 19.313 0.090 . 1 . . . . A 134 ALA CB . 34912 1 1305 . 1 . 1 134 134 ALA N N 15 123.278 0.043 . 1 . . . . A 134 ALA N . 34912 1 1306 . 1 . 1 135 135 THR H H 1 7.995 0.007 . 1 . . . . A 135 THR H . 34912 1 1307 . 1 . 1 135 135 THR HA H 1 4.640 0.009 . 1 . . . . A 135 THR HA . 34912 1 1308 . 1 . 1 135 135 THR HB H 1 3.582 0.008 . 1 . . . . A 135 THR HB . 34912 1 1309 . 1 . 1 135 135 THR HG21 H 1 1.075 0.003 . 1 . . . . A 135 THR HG21 . 34912 1 1310 . 1 . 1 135 135 THR HG22 H 1 1.075 0.003 . 1 . . . . A 135 THR HG22 . 34912 1 1311 . 1 . 1 135 135 THR HG23 H 1 1.075 0.003 . 1 . . . . A 135 THR HG23 . 34912 1 1312 . 1 . 1 135 135 THR CA C 13 58.810 0.073 . 1 . . . . A 135 THR CA . 34912 1 1313 . 1 . 1 135 135 THR CB C 13 70.723 0.066 . 1 . . . . A 135 THR CB . 34912 1 1314 . 1 . 1 135 135 THR CG2 C 13 21.477 0.042 . 1 . . . . A 135 THR CG2 . 34912 1 1315 . 1 . 1 135 135 THR N N 15 114.325 0.016 . 1 . . . . A 135 THR N . 34912 1 1316 . 1 . 1 136 136 PRO HA H 1 4.356 0.012 . 1 . . . . A 136 PRO HA . 34912 1 1317 . 1 . 1 136 136 PRO HB2 H 1 2.184 0.009 . 2 . . . . A 136 PRO HB2 . 34912 1 1318 . 1 . 1 136 136 PRO HB3 H 1 1.822 0.013 . 2 . . . . A 136 PRO HB3 . 34912 1 1319 . 1 . 1 136 136 PRO HG2 H 1 2.040 0.014 . 2 . . . . A 136 PRO HG2 . 34912 1 1320 . 1 . 1 136 136 PRO HG3 H 1 1.857 0.009 . 2 . . . . A 136 PRO HG3 . 34912 1 1321 . 1 . 1 136 136 PRO HD2 H 1 3.780 0.011 . 2 . . . . A 136 PRO HD2 . 34912 1 1322 . 1 . 1 136 136 PRO HD3 H 1 3.623 0.013 . 2 . . . . A 136 PRO HD3 . 34912 1 1323 . 1 . 1 136 136 PRO CA C 13 63.164 0.187 . 1 . . . . A 136 PRO CA . 34912 1 1324 . 1 . 1 136 136 PRO CB C 13 31.364 0.104 . 1 . . . . A 136 PRO CB . 34912 1 1325 . 1 . 1 136 136 PRO CG C 13 27.497 0.131 . 1 . . . . A 136 PRO CG . 34912 1 1326 . 1 . 1 136 136 PRO CD C 13 51.418 0.052 . 1 . . . . A 136 PRO CD . 34912 1 1327 . 1 . 1 137 137 ASN H H 1 9.705 0.006 . 1 . . . . A 137 ASN H . 34912 1 1328 . 1 . 1 137 137 ASN HA H 1 4.388 0.004 . 1 . . . . A 137 ASN HA . 34912 1 1329 . 1 . 1 137 137 ASN HB2 H 1 2.875 0.020 . 2 . . . . A 137 ASN HB2 . 34912 1 1330 . 1 . 1 137 137 ASN HB3 H 1 2.875 0.020 . 2 . . . . A 137 ASN HB3 . 34912 1 1331 . 1 . 1 137 137 ASN HD21 H 1 7.429 0.001 . 2 . . . . A 137 ASN HD21 . 34912 1 1332 . 1 . 1 137 137 ASN HD22 H 1 6.810 0.020 . 2 . . . . A 137 ASN HD22 . 34912 1 1333 . 1 . 1 137 137 ASN CA C 13 54.529 0.024 . 1 . . . . A 137 ASN CA . 34912 1 1334 . 1 . 1 137 137 ASN CB C 13 37.848 0.200 . 1 . . . . A 137 ASN CB . 34912 1 1335 . 1 . 1 137 137 ASN N N 15 119.048 0.054 . 1 . . . . A 137 ASN N . 34912 1 1336 . 1 . 1 137 137 ASN ND2 N 15 111.362 0.200 . 1 . . . . A 137 ASN ND2 . 34912 1 1337 . 1 . 1 138 138 GLY H H 1 7.990 0.008 . 1 . . . . A 138 GLY H . 34912 1 1338 . 1 . 1 138 138 GLY HA2 H 1 4.445 0.009 . 2 . . . . A 138 GLY HA2 . 34912 1 1339 . 1 . 1 138 138 GLY HA3 H 1 3.222 0.012 . 2 . . . . A 138 GLY HA3 . 34912 1 1340 . 1 . 1 138 138 GLY CA C 13 44.093 0.080 . 1 . . . . A 138 GLY CA . 34912 1 1341 . 1 . 1 138 138 GLY N N 15 103.090 0.042 . 1 . . . . A 138 GLY N . 34912 1 1342 . 1 . 1 139 139 TYR H H 1 8.349 0.003 . 1 . . . . A 139 TYR H . 34912 1 1343 . 1 . 1 139 139 TYR HA H 1 4.449 0.003 . 1 . . . . A 139 TYR HA . 34912 1 1344 . 1 . 1 139 139 TYR HB2 H 1 3.158 0.006 . 2 . . . . A 139 TYR HB2 . 34912 1 1345 . 1 . 1 139 139 TYR HB3 H 1 2.607 0.001 . 2 . . . . A 139 TYR HB3 . 34912 1 1346 . 1 . 1 139 139 TYR HD1 H 1 6.648 0.020 . 1 . . . . A 139 TYR HD1 . 34912 1 1347 . 1 . 1 139 139 TYR HD2 H 1 6.648 0.020 . 1 . . . . A 139 TYR HD2 . 34912 1 1348 . 1 . 1 139 139 TYR CA C 13 57.899 0.065 . 1 . . . . A 139 TYR CA . 34912 1 1349 . 1 . 1 139 139 TYR CB C 13 39.217 0.061 . 1 . . . . A 139 TYR CB . 34912 1 1350 . 1 . 1 139 139 TYR CD1 C 13 132.963 0.200 . 1 . . . . A 139 TYR CD1 . 34912 1 1351 . 1 . 1 139 139 TYR CD2 C 13 132.963 0.200 . 1 . . . . A 139 TYR CD2 . 34912 1 1352 . 1 . 1 139 139 TYR N N 15 124.422 0.053 . 1 . . . . A 139 TYR N . 34912 1 1353 . 1 . 1 140 140 GLY H H 1 8.068 0.003 . 1 . . . . A 140 GLY H . 34912 1 1354 . 1 . 1 140 140 GLY HA2 H 1 4.078 0.002 . 2 . . . . A 140 GLY HA2 . 34912 1 1355 . 1 . 1 140 140 GLY HA3 H 1 3.858 0.008 . 2 . . . . A 140 GLY HA3 . 34912 1 1356 . 1 . 1 140 140 GLY CA C 13 44.876 0.015 . 1 . . . . A 140 GLY CA . 34912 1 1357 . 1 . 1 140 140 GLY N N 15 114.736 0.010 . 1 . . . . A 140 GLY N . 34912 1 1358 . 1 . 1 141 141 THR H H 1 7.677 0.002 . 1 . . . . A 141 THR H . 34912 1 1359 . 1 . 1 141 141 THR HA H 1 5.226 0.020 . 1 . . . . A 141 THR HA . 34912 1 1360 . 1 . 1 141 141 THR HB H 1 3.881 0.020 . 1 . . . . A 141 THR HB . 34912 1 1361 . 1 . 1 141 141 THR HG21 H 1 0.994 0.004 . 1 . . . . A 141 THR HG21 . 34912 1 1362 . 1 . 1 141 141 THR HG22 H 1 0.994 0.004 . 1 . . . . A 141 THR HG22 . 34912 1 1363 . 1 . 1 141 141 THR HG23 H 1 0.994 0.004 . 1 . . . . A 141 THR HG23 . 34912 1 1364 . 1 . 1 141 141 THR CA C 13 58.349 0.045 . 1 . . . . A 141 THR CA . 34912 1 1365 . 1 . 1 141 141 THR CB C 13 72.921 0.026 . 1 . . . . A 141 THR CB . 34912 1 1366 . 1 . 1 141 141 THR CG2 C 13 21.326 0.058 . 1 . . . . A 141 THR CG2 . 34912 1 1367 . 1 . 1 141 141 THR N N 15 104.965 0.006 . 1 . . . . A 141 THR N . 34912 1 1368 . 1 . 1 142 142 ARG H H 1 7.982 0.007 . 1 . . . . A 142 ARG H . 34912 1 1369 . 1 . 1 142 142 ARG HA H 1 4.589 0.002 . 1 . . . . A 142 ARG HA . 34912 1 1370 . 1 . 1 142 142 ARG HB2 H 1 1.501 0.016 . 2 . . . . A 142 ARG HB2 . 34912 1 1371 . 1 . 1 142 142 ARG HB3 H 1 1.425 0.008 . 2 . . . . A 142 ARG HB3 . 34912 1 1372 . 1 . 1 142 142 ARG HG2 H 1 1.568 0.007 . 2 . . . . A 142 ARG HG2 . 34912 1 1373 . 1 . 1 142 142 ARG HG3 H 1 1.355 0.010 . 2 . . . . A 142 ARG HG3 . 34912 1 1374 . 1 . 1 142 142 ARG HD2 H 1 2.984 0.020 . 2 . . . . A 142 ARG HD2 . 34912 1 1375 . 1 . 1 142 142 ARG HD3 H 1 2.984 0.020 . 2 . . . . A 142 ARG HD3 . 34912 1 1376 . 1 . 1 142 142 ARG HE H 1 9.181 0.006 . 1 . . . . A 142 ARG HE . 34912 1 1377 . 1 . 1 142 142 ARG CA C 13 56.060 0.019 . 1 . . . . A 142 ARG CA . 34912 1 1378 . 1 . 1 142 142 ARG CB C 13 38.185 0.116 . 1 . . . . A 142 ARG CB . 34912 1 1379 . 1 . 1 142 142 ARG CG C 13 28.770 0.212 . 1 . . . . A 142 ARG CG . 34912 1 1380 . 1 . 1 142 142 ARG CD C 13 43.723 0.200 . 1 . . . . A 142 ARG CD . 34912 1 1381 . 1 . 1 142 142 ARG N N 15 117.419 0.022 . 1 . . . . A 142 ARG N . 34912 1 1382 . 1 . 1 142 142 ARG NE N 15 85.454 0.046 . 1 . . . . A 142 ARG NE . 34912 1 1383 . 1 . 1 143 143 THR H H 1 8.518 0.004 . 1 . . . . A 143 THR H . 34912 1 1384 . 1 . 1 143 143 THR HA H 1 5.357 0.006 . 1 . . . . A 143 THR HA . 34912 1 1385 . 1 . 1 143 143 THR HB H 1 3.991 0.005 . 1 . . . . A 143 THR HB . 34912 1 1386 . 1 . 1 143 143 THR HG21 H 1 1.100 0.004 . 1 . . . . A 143 THR HG21 . 34912 1 1387 . 1 . 1 143 143 THR HG22 H 1 1.100 0.004 . 1 . . . . A 143 THR HG22 . 34912 1 1388 . 1 . 1 143 143 THR HG23 H 1 1.100 0.004 . 1 . . . . A 143 THR HG23 . 34912 1 1389 . 1 . 1 143 143 THR CA C 13 62.315 0.092 . 1 . . . . A 143 THR CA . 34912 1 1390 . 1 . 1 143 143 THR CB C 13 69.114 0.078 . 1 . . . . A 143 THR CB . 34912 1 1391 . 1 . 1 143 143 THR CG2 C 13 21.745 0.053 . 1 . . . . A 143 THR CG2 . 34912 1 1392 . 1 . 1 143 143 THR N N 15 116.569 0.027 . 1 . . . . A 143 THR N . 34912 1 1393 . 1 . 1 144 144 ILE H H 1 9.305 0.005 . 1 . . . . A 144 ILE H . 34912 1 1394 . 1 . 1 144 144 ILE HA H 1 4.356 0.002 . 1 . . . . A 144 ILE HA . 34912 1 1395 . 1 . 1 144 144 ILE HB H 1 1.821 0.005 . 1 . . . . A 144 ILE HB . 34912 1 1396 . 1 . 1 144 144 ILE HG12 H 1 1.207 0.004 . 2 . . . . A 144 ILE HG12 . 34912 1 1397 . 1 . 1 144 144 ILE HG13 H 1 1.105 0.006 . 2 . . . . A 144 ILE HG13 . 34912 1 1398 . 1 . 1 144 144 ILE HG21 H 1 0.740 0.020 . 1 . . . . A 144 ILE HG21 . 34912 1 1399 . 1 . 1 144 144 ILE HG22 H 1 0.740 0.020 . 1 . . . . A 144 ILE HG22 . 34912 1 1400 . 1 . 1 144 144 ILE HG23 H 1 0.740 0.020 . 1 . . . . A 144 ILE HG23 . 34912 1 1401 . 1 . 1 144 144 ILE HD11 H 1 0.645 0.020 . 1 . . . . A 144 ILE HD11 . 34912 1 1402 . 1 . 1 144 144 ILE HD12 H 1 0.645 0.020 . 1 . . . . A 144 ILE HD12 . 34912 1 1403 . 1 . 1 144 144 ILE HD13 H 1 0.645 0.020 . 1 . . . . A 144 ILE HD13 . 34912 1 1404 . 1 . 1 144 144 ILE CA C 13 58.455 0.069 . 1 . . . . A 144 ILE CA . 34912 1 1405 . 1 . 1 144 144 ILE CB C 13 40.534 0.161 . 1 . . . . A 144 ILE CB . 34912 1 1406 . 1 . 1 144 144 ILE CG1 C 13 27.192 0.057 . 1 . . . . A 144 ILE CG1 . 34912 1 1407 . 1 . 1 144 144 ILE CG2 C 13 16.976 0.044 . 1 . . . . A 144 ILE CG2 . 34912 1 1408 . 1 . 1 144 144 ILE CD1 C 13 12.958 0.031 . 1 . . . . A 144 ILE CD1 . 34912 1 1409 . 1 . 1 144 144 ILE N N 15 126.876 0.017 . 1 . . . . A 144 ILE N . 34912 1 1410 . 1 . 1 145 145 ASP H H 1 9.028 0.001 . 1 . . . . A 145 ASP H . 34912 1 1411 . 1 . 1 145 145 ASP HA H 1 4.879 0.008 . 1 . . . . A 145 ASP HA . 34912 1 1412 . 1 . 1 145 145 ASP HB2 H 1 2.904 0.003 . 2 . . . . A 145 ASP HB2 . 34912 1 1413 . 1 . 1 145 145 ASP HB3 H 1 2.646 0.010 . 2 . . . . A 145 ASP HB3 . 34912 1 1414 . 1 . 1 145 145 ASP CA C 13 53.368 0.050 . 1 . . . . A 145 ASP CA . 34912 1 1415 . 1 . 1 145 145 ASP CB C 13 41.913 0.149 . 1 . . . . A 145 ASP CB . 34912 1 1416 . 1 . 1 145 145 ASP N N 15 126.635 0.031 . 1 . . . . A 145 ASP N . 34912 1 1417 . 1 . 1 146 146 MET H H 1 9.216 0.004 . 1 . . . . A 146 MET H . 34912 1 1418 . 1 . 1 146 146 MET HA H 1 4.678 0.002 . 1 . . . . A 146 MET HA . 34912 1 1419 . 1 . 1 146 146 MET HB2 H 1 2.960 0.007 . 2 . . . . A 146 MET HB2 . 34912 1 1420 . 1 . 1 146 146 MET HB3 H 1 2.079 0.006 . 2 . . . . A 146 MET HB3 . 34912 1 1421 . 1 . 1 146 146 MET HG2 H 1 2.217 0.013 . 2 . . . . A 146 MET HG2 . 34912 1 1422 . 1 . 1 146 146 MET HG3 H 1 2.120 0.003 . 2 . . . . A 146 MET HG3 . 34912 1 1423 . 1 . 1 146 146 MET HE1 H 1 2.172 0.003 . 1 . . . . A 146 MET HE1 . 34912 1 1424 . 1 . 1 146 146 MET HE2 H 1 2.172 0.003 . 1 . . . . A 146 MET HE2 . 34912 1 1425 . 1 . 1 146 146 MET HE3 H 1 2.172 0.003 . 1 . . . . A 146 MET HE3 . 34912 1 1426 . 1 . 1 146 146 MET CA C 13 55.795 0.046 . 1 . . . . A 146 MET CA . 34912 1 1427 . 1 . 1 146 146 MET CB C 13 31.709 0.033 . 1 . . . . A 146 MET CB . 34912 1 1428 . 1 . 1 146 146 MET CG C 13 28.208 0.104 . 1 . . . . A 146 MET CG . 34912 1 1429 . 1 . 1 146 146 MET CE C 13 15.768 0.080 . 1 . . . . A 146 MET CE . 34912 1 1430 . 1 . 1 146 146 MET N N 15 128.339 0.030 . 1 . . . . A 146 MET N . 34912 1 1431 . 1 . 1 147 147 SER H H 1 9.022 0.006 . 1 . . . . A 147 SER H . 34912 1 1432 . 1 . 1 147 147 SER HA H 1 4.539 0.002 . 1 . . . . A 147 SER HA . 34912 1 1433 . 1 . 1 147 147 SER HB2 H 1 4.034 0.006 . 2 . . . . A 147 SER HB2 . 34912 1 1434 . 1 . 1 147 147 SER HB3 H 1 3.950 0.006 . 2 . . . . A 147 SER HB3 . 34912 1 1435 . 1 . 1 147 147 SER CA C 13 58.937 0.019 . 1 . . . . A 147 SER CA . 34912 1 1436 . 1 . 1 147 147 SER CB C 13 64.139 0.039 . 1 . . . . A 147 SER CB . 34912 1 1437 . 1 . 1 147 147 SER N N 15 113.784 0.026 . 1 . . . . A 147 SER N . 34912 1 1438 . 1 . 1 148 148 SER H H 1 7.758 0.002 . 1 . . . . A 148 SER H . 34912 1 1439 . 1 . 1 148 148 SER HA H 1 4.479 0.002 . 1 . . . . A 148 SER HA . 34912 1 1440 . 1 . 1 148 148 SER HB2 H 1 4.486 0.002 . 2 . . . . A 148 SER HB2 . 34912 1 1441 . 1 . 1 148 148 SER HB3 H 1 4.146 0.002 . 2 . . . . A 148 SER HB3 . 34912 1 1442 . 1 . 1 148 148 SER CA C 13 58.034 0.029 . 1 . . . . A 148 SER CA . 34912 1 1443 . 1 . 1 148 148 SER CB C 13 66.508 0.022 . 1 . . . . A 148 SER CB . 34912 1 1444 . 1 . 1 148 148 SER N N 15 117.664 0.018 . 1 . . . . A 148 SER N . 34912 1 1445 . 1 . 1 149 149 ALA H H 1 8.931 0.009 . 1 . . . . A 149 ALA H . 34912 1 1446 . 1 . 1 149 149 ALA HA H 1 4.022 0.004 . 1 . . . . A 149 ALA HA . 34912 1 1447 . 1 . 1 149 149 ALA HB1 H 1 1.417 0.002 . 1 . . . . A 149 ALA HB1 . 34912 1 1448 . 1 . 1 149 149 ALA HB2 H 1 1.417 0.002 . 1 . . . . A 149 ALA HB2 . 34912 1 1449 . 1 . 1 149 149 ALA HB3 H 1 1.417 0.002 . 1 . . . . A 149 ALA HB3 . 34912 1 1450 . 1 . 1 149 149 ALA CA C 13 55.985 0.062 . 1 . . . . A 149 ALA CA . 34912 1 1451 . 1 . 1 149 149 ALA CB C 13 17.956 0.020 . 1 . . . . A 149 ALA CB . 34912 1 1452 . 1 . 1 149 149 ALA N N 15 123.627 0.012 . 1 . . . . A 149 ALA N . 34912 1 1453 . 1 . 1 150 150 ILE H H 1 7.805 0.002 . 1 . . . . A 150 ILE H . 34912 1 1454 . 1 . 1 150 150 ILE HA H 1 3.714 0.005 . 1 . . . . A 150 ILE HA . 34912 1 1455 . 1 . 1 150 150 ILE HB H 1 1.618 0.008 . 1 . . . . A 150 ILE HB . 34912 1 1456 . 1 . 1 150 150 ILE HG12 H 1 1.680 0.006 . 2 . . . . A 150 ILE HG12 . 34912 1 1457 . 1 . 1 150 150 ILE HG13 H 1 0.472 0.005 . 2 . . . . A 150 ILE HG13 . 34912 1 1458 . 1 . 1 150 150 ILE HG21 H 1 0.673 0.005 . 1 . . . . A 150 ILE HG21 . 34912 1 1459 . 1 . 1 150 150 ILE HG22 H 1 0.673 0.005 . 1 . . . . A 150 ILE HG22 . 34912 1 1460 . 1 . 1 150 150 ILE HG23 H 1 0.673 0.005 . 1 . . . . A 150 ILE HG23 . 34912 1 1461 . 1 . 1 150 150 ILE HD11 H 1 0.661 0.008 . 1 . . . . A 150 ILE HD11 . 34912 1 1462 . 1 . 1 150 150 ILE HD12 H 1 0.661 0.008 . 1 . . . . A 150 ILE HD12 . 34912 1 1463 . 1 . 1 150 150 ILE HD13 H 1 0.661 0.008 . 1 . . . . A 150 ILE HD13 . 34912 1 1464 . 1 . 1 150 150 ILE CA C 13 65.640 0.037 . 1 . . . . A 150 ILE CA . 34912 1 1465 . 1 . 1 150 150 ILE CB C 13 38.450 0.093 . 1 . . . . A 150 ILE CB . 34912 1 1466 . 1 . 1 150 150 ILE CG1 C 13 29.885 0.071 . 1 . . . . A 150 ILE CG1 . 34912 1 1467 . 1 . 1 150 150 ILE CG2 C 13 18.162 0.023 . 1 . . . . A 150 ILE CG2 . 34912 1 1468 . 1 . 1 150 150 ILE CD1 C 13 12.969 0.060 . 1 . . . . A 150 ILE CD1 . 34912 1 1469 . 1 . 1 150 150 ILE N N 15 114.227 0.015 . 1 . . . . A 150 ILE N . 34912 1 1470 . 1 . 1 151 151 GLY H H 1 8.062 0.002 . 1 . . . . A 151 GLY H . 34912 1 1471 . 1 . 1 151 151 GLY HA2 H 1 4.174 0.009 . 2 . . . . A 151 GLY HA2 . 34912 1 1472 . 1 . 1 151 151 GLY HA3 H 1 3.662 0.014 . 2 . . . . A 151 GLY HA3 . 34912 1 1473 . 1 . 1 151 151 GLY CA C 13 47.911 0.069 . 1 . . . . A 151 GLY CA . 34912 1 1474 . 1 . 1 151 151 GLY N N 15 111.066 0.020 . 1 . . . . A 151 GLY N . 34912 1 1475 . 1 . 1 152 152 LYS H H 1 8.785 0.002 . 1 . . . . A 152 LYS H . 34912 1 1476 . 1 . 1 152 152 LYS HA H 1 4.100 0.004 . 1 . . . . A 152 LYS HA . 34912 1 1477 . 1 . 1 152 152 LYS HB2 H 1 1.836 0.005 . 2 . . . . A 152 LYS HB2 . 34912 1 1478 . 1 . 1 152 152 LYS HB3 H 1 1.836 0.005 . 2 . . . . A 152 LYS HB3 . 34912 1 1479 . 1 . 1 152 152 LYS HG2 H 1 1.655 0.018 . 2 . . . . A 152 LYS HG2 . 34912 1 1480 . 1 . 1 152 152 LYS HG3 H 1 1.494 0.004 . 2 . . . . A 152 LYS HG3 . 34912 1 1481 . 1 . 1 152 152 LYS HD2 H 1 1.628 0.023 . 2 . . . . A 152 LYS HD2 . 34912 1 1482 . 1 . 1 152 152 LYS HD3 H 1 1.628 0.023 . 2 . . . . A 152 LYS HD3 . 34912 1 1483 . 1 . 1 152 152 LYS HE2 H 1 2.979 0.011 . 2 . . . . A 152 LYS HE2 . 34912 1 1484 . 1 . 1 152 152 LYS HE3 H 1 2.979 0.011 . 2 . . . . A 152 LYS HE3 . 34912 1 1485 . 1 . 1 152 152 LYS CA C 13 58.933 0.044 . 1 . . . . A 152 LYS CA . 34912 1 1486 . 1 . 1 152 152 LYS CB C 13 32.531 0.037 . 1 . . . . A 152 LYS CB . 34912 1 1487 . 1 . 1 152 152 LYS CG C 13 25.858 0.067 . 1 . . . . A 152 LYS CG . 34912 1 1488 . 1 . 1 152 152 LYS CD C 13 29.368 0.042 . 1 . . . . A 152 LYS CD . 34912 1 1489 . 1 . 1 152 152 LYS CE C 13 41.997 0.016 . 1 . . . . A 152 LYS CE . 34912 1 1490 . 1 . 1 152 152 LYS N N 15 119.880 0.014 . 1 . . . . A 152 LYS N . 34912 1 1491 . 1 . 1 153 153 ASN H H 1 7.401 0.006 . 1 . . . . A 153 ASN H . 34912 1 1492 . 1 . 1 153 153 ASN HA H 1 4.825 0.003 . 1 . . . . A 153 ASN HA . 34912 1 1493 . 1 . 1 153 153 ASN HB2 H 1 3.248 0.012 . 2 . . . . A 153 ASN HB2 . 34912 1 1494 . 1 . 1 153 153 ASN HB3 H 1 3.097 0.019 . 2 . . . . A 153 ASN HB3 . 34912 1 1495 . 1 . 1 153 153 ASN HD21 H 1 8.330 0.005 . 2 . . . . A 153 ASN HD21 . 34912 1 1496 . 1 . 1 153 153 ASN HD22 H 1 7.128 0.010 . 2 . . . . A 153 ASN HD22 . 34912 1 1497 . 1 . 1 153 153 ASN CA C 13 52.707 0.085 . 1 . . . . A 153 ASN CA . 34912 1 1498 . 1 . 1 153 153 ASN CB C 13 40.010 0.116 . 1 . . . . A 153 ASN CB . 34912 1 1499 . 1 . 1 153 153 ASN N N 15 114.372 0.034 . 1 . . . . A 153 ASN N . 34912 1 1500 . 1 . 1 153 153 ASN ND2 N 15 113.655 0.046 . 1 . . . . A 153 ASN ND2 . 34912 1 1501 . 1 . 1 154 154 ALA H H 1 7.148 0.009 . 1 . . . . A 154 ALA H . 34912 1 1502 . 1 . 1 154 154 ALA HA H 1 2.910 0.020 . 1 . . . . A 154 ALA HA . 34912 1 1503 . 1 . 1 154 154 ALA HB1 H 1 0.609 0.005 . 1 . . . . A 154 ALA HB1 . 34912 1 1504 . 1 . 1 154 154 ALA HB2 H 1 0.609 0.005 . 1 . . . . A 154 ALA HB2 . 34912 1 1505 . 1 . 1 154 154 ALA HB3 H 1 0.609 0.005 . 1 . . . . A 154 ALA HB3 . 34912 1 1506 . 1 . 1 154 154 ALA CA C 13 52.455 0.033 . 1 . . . . A 154 ALA CA . 34912 1 1507 . 1 . 1 154 154 ALA CB C 13 19.064 0.159 . 1 . . . . A 154 ALA CB . 34912 1 1508 . 1 . 1 154 154 ALA N N 15 123.550 0.031 . 1 . . . . A 154 ALA N . 34912 1 1509 . 1 . 1 155 155 GLN H H 1 7.337 0.021 . 1 . . . . A 155 GLN H . 34912 1 1510 . 1 . 1 155 155 GLN HA H 1 4.196 0.014 . 1 . . . . A 155 GLN HA . 34912 1 1511 . 1 . 1 155 155 GLN HB2 H 1 1.698 0.020 . 2 . . . . A 155 GLN HB2 . 34912 1 1512 . 1 . 1 155 155 GLN HB3 H 1 1.470 0.020 . 2 . . . . A 155 GLN HB3 . 34912 1 1513 . 1 . 1 155 155 GLN HG2 H 1 2.101 0.020 . 2 . . . . A 155 GLN HG2 . 34912 1 1514 . 1 . 1 155 155 GLN HG3 H 1 1.919 0.020 . 2 . . . . A 155 GLN HG3 . 34912 1 1515 . 1 . 1 155 155 GLN HE21 H 1 7.386 0.002 . 2 . . . . A 155 GLN HE21 . 34912 1 1516 . 1 . 1 155 155 GLN HE22 H 1 6.755 0.005 . 2 . . . . A 155 GLN HE22 . 34912 1 1517 . 1 . 1 155 155 GLN CA C 13 54.915 0.021 . 1 . . . . A 155 GLN CA . 34912 1 1518 . 1 . 1 155 155 GLN CB C 13 34.570 0.035 . 1 . . . . A 155 GLN CB . 34912 1 1519 . 1 . 1 155 155 GLN CG C 13 35.480 0.022 . 1 . . . . A 155 GLN CG . 34912 1 1520 . 1 . 1 155 155 GLN N N 15 117.785 0.033 . 1 . . . . A 155 GLN N . 34912 1 1521 . 1 . 1 155 155 GLN NE2 N 15 110.100 0.031 . 1 . . . . A 155 GLN NE2 . 34912 1 1522 . 1 . 1 156 156 PHE H H 1 8.764 0.005 . 1 . . . . A 156 PHE H . 34912 1 1523 . 1 . 1 156 156 PHE HA H 1 5.184 0.012 . 1 . . . . A 156 PHE HA . 34912 1 1524 . 1 . 1 156 156 PHE HB2 H 1 2.482 0.012 . 2 . . . . A 156 PHE HB2 . 34912 1 1525 . 1 . 1 156 156 PHE HB3 H 1 2.482 0.012 . 2 . . . . A 156 PHE HB3 . 34912 1 1526 . 1 . 1 156 156 PHE HD1 H 1 6.875 0.020 . 1 . . . . A 156 PHE HD1 . 34912 1 1527 . 1 . 1 156 156 PHE HD2 H 1 6.875 0.020 . 1 . . . . A 156 PHE HD2 . 34912 1 1528 . 1 . 1 156 156 PHE HE1 H 1 6.924 0.015 . 1 . . . . A 156 PHE HE1 . 34912 1 1529 . 1 . 1 156 156 PHE HE2 H 1 6.924 0.015 . 1 . . . . A 156 PHE HE2 . 34912 1 1530 . 1 . 1 156 156 PHE HZ H 1 7.044 0.020 . 1 . . . . A 156 PHE HZ . 34912 1 1531 . 1 . 1 156 156 PHE CA C 13 57.034 0.180 . 1 . . . . A 156 PHE CA . 34912 1 1532 . 1 . 1 156 156 PHE CB C 13 42.047 0.118 . 1 . . . . A 156 PHE CB . 34912 1 1533 . 1 . 1 156 156 PHE CD1 C 13 131.572 0.071 . 1 . . . . A 156 PHE CD1 . 34912 1 1534 . 1 . 1 156 156 PHE CD2 C 13 131.572 0.071 . 1 . . . . A 156 PHE CD2 . 34912 1 1535 . 1 . 1 156 156 PHE CE1 C 13 130.642 0.029 . 1 . . . . A 156 PHE CE1 . 34912 1 1536 . 1 . 1 156 156 PHE CE2 C 13 130.642 0.029 . 1 . . . . A 156 PHE CE2 . 34912 1 1537 . 1 . 1 156 156 PHE CZ C 13 128.400 0.200 . 1 . . . . A 156 PHE CZ . 34912 1 1538 . 1 . 1 156 156 PHE N N 15 117.923 0.062 . 1 . . . . A 156 PHE N . 34912 1 1539 . 1 . 1 157 157 ILE H H 1 8.768 0.006 . 1 . . . . A 157 ILE H . 34912 1 1540 . 1 . 1 157 157 ILE HA H 1 4.329 0.005 . 1 . . . . A 157 ILE HA . 34912 1 1541 . 1 . 1 157 157 ILE HB H 1 1.522 0.020 . 1 . . . . A 157 ILE HB . 34912 1 1542 . 1 . 1 157 157 ILE HG12 H 1 1.476 0.024 . 2 . . . . A 157 ILE HG12 . 34912 1 1543 . 1 . 1 157 157 ILE HG13 H 1 0.691 0.020 . 2 . . . . A 157 ILE HG13 . 34912 1 1544 . 1 . 1 157 157 ILE HG21 H 1 1.063 0.004 . 1 . . . . A 157 ILE HG21 . 34912 1 1545 . 1 . 1 157 157 ILE HG22 H 1 1.063 0.004 . 1 . . . . A 157 ILE HG22 . 34912 1 1546 . 1 . 1 157 157 ILE HG23 H 1 1.063 0.004 . 1 . . . . A 157 ILE HG23 . 34912 1 1547 . 1 . 1 157 157 ILE HD11 H 1 0.838 0.020 . 1 . . . . A 157 ILE HD11 . 34912 1 1548 . 1 . 1 157 157 ILE HD12 H 1 0.838 0.020 . 1 . . . . A 157 ILE HD12 . 34912 1 1549 . 1 . 1 157 157 ILE HD13 H 1 0.838 0.020 . 1 . . . . A 157 ILE HD13 . 34912 1 1550 . 1 . 1 157 157 ILE CA C 13 60.296 0.030 . 1 . . . . A 157 ILE CA . 34912 1 1551 . 1 . 1 157 157 ILE CB C 13 42.335 0.115 . 1 . . . . A 157 ILE CB . 34912 1 1552 . 1 . 1 157 157 ILE CG1 C 13 27.574 0.156 . 1 . . . . A 157 ILE CG1 . 34912 1 1553 . 1 . 1 157 157 ILE CG2 C 13 17.348 0.073 . 1 . . . . A 157 ILE CG2 . 34912 1 1554 . 1 . 1 157 157 ILE CD1 C 13 16.654 0.091 . 1 . . . . A 157 ILE CD1 . 34912 1 1555 . 1 . 1 157 157 ILE N N 15 117.470 0.056 . 1 . . . . A 157 ILE N . 34912 1 1556 . 1 . 1 158 158 TYR H H 1 8.798 0.009 . 1 . . . . A 158 TYR H . 34912 1 1557 . 1 . 1 158 158 TYR HA H 1 4.974 0.006 . 1 . . . . A 158 TYR HA . 34912 1 1558 . 1 . 1 158 158 TYR HB2 H 1 3.369 0.015 . 2 . . . . A 158 TYR HB2 . 34912 1 1559 . 1 . 1 158 158 TYR HB3 H 1 3.009 0.016 . 2 . . . . A 158 TYR HB3 . 34912 1 1560 . 1 . 1 158 158 TYR HD1 H 1 6.687 0.005 . 1 . . . . A 158 TYR HD1 . 34912 1 1561 . 1 . 1 158 158 TYR HD2 H 1 6.687 0.005 . 1 . . . . A 158 TYR HD2 . 34912 1 1562 . 1 . 1 158 158 TYR HE1 H 1 6.451 0.005 . 1 . . . . A 158 TYR HE1 . 34912 1 1563 . 1 . 1 158 158 TYR HE2 H 1 6.451 0.005 . 1 . . . . A 158 TYR HE2 . 34912 1 1564 . 1 . 1 158 158 TYR HH H 1 10.275 0.020 . 1 . . . . A 158 TYR HH . 34912 1 1565 . 1 . 1 158 158 TYR CA C 13 54.733 0.032 . 1 . . . . A 158 TYR CA . 34912 1 1566 . 1 . 1 158 158 TYR CB C 13 36.500 0.196 . 1 . . . . A 158 TYR CB . 34912 1 1567 . 1 . 1 158 158 TYR CD1 C 13 131.192 0.104 . 1 . . . . A 158 TYR CD1 . 34912 1 1568 . 1 . 1 158 158 TYR CD2 C 13 131.192 0.104 . 1 . . . . A 158 TYR CD2 . 34912 1 1569 . 1 . 1 158 158 TYR CE1 C 13 118.005 0.201 . 1 . . . . A 158 TYR CE1 . 34912 1 1570 . 1 . 1 158 158 TYR CE2 C 13 118.005 0.201 . 1 . . . . A 158 TYR CE2 . 34912 1 1571 . 1 . 1 158 158 TYR N N 15 127.233 0.058 . 1 . . . . A 158 TYR N . 34912 1 1572 . 1 . 1 159 159 ASP H H 1 8.374 0.016 . 1 . . . . A 159 ASP H . 34912 1 1573 . 1 . 1 159 159 ASP HA H 1 4.844 0.002 . 1 . . . . A 159 ASP HA . 34912 1 1574 . 1 . 1 159 159 ASP HB2 H 1 2.881 0.012 . 2 . . . . A 159 ASP HB2 . 34912 1 1575 . 1 . 1 159 159 ASP HB3 H 1 2.748 0.005 . 2 . . . . A 159 ASP HB3 . 34912 1 1576 . 1 . 1 159 159 ASP CA C 13 52.005 0.020 . 1 . . . . A 159 ASP CA . 34912 1 1577 . 1 . 1 159 159 ASP CB C 13 42.963 0.060 . 1 . . . . A 159 ASP CB . 34912 1 1578 . 1 . 1 159 159 ASP N N 15 122.711 0.030 . 1 . . . . A 159 ASP N . 34912 1 1579 . 1 . 1 160 160 LYS H H 1 8.408 0.008 . 1 . . . . A 160 LYS H . 34912 1 1580 . 1 . 1 160 160 LYS HA H 1 3.758 0.007 . 1 . . . . A 160 LYS HA . 34912 1 1581 . 1 . 1 160 160 LYS HB2 H 1 1.411 0.005 . 2 . . . . A 160 LYS HB2 . 34912 1 1582 . 1 . 1 160 160 LYS HB3 H 1 0.943 0.020 . 2 . . . . A 160 LYS HB3 . 34912 1 1583 . 1 . 1 160 160 LYS HG2 H 1 0.975 0.020 . 2 . . . . A 160 LYS HG2 . 34912 1 1584 . 1 . 1 160 160 LYS HG3 H 1 0.975 0.020 . 2 . . . . A 160 LYS HG3 . 34912 1 1585 . 1 . 1 160 160 LYS HD2 H 1 1.530 0.021 . 2 . . . . A 160 LYS HD2 . 34912 1 1586 . 1 . 1 160 160 LYS HD3 H 1 1.530 0.021 . 2 . . . . A 160 LYS HD3 . 34912 1 1587 . 1 . 1 160 160 LYS HE2 H 1 3.002 0.001 . 2 . . . . A 160 LYS HE2 . 34912 1 1588 . 1 . 1 160 160 LYS HE3 H 1 3.002 0.001 . 2 . . . . A 160 LYS HE3 . 34912 1 1589 . 1 . 1 160 160 LYS CA C 13 56.466 0.059 . 1 . . . . A 160 LYS CA . 34912 1 1590 . 1 . 1 160 160 LYS CB C 13 32.605 0.062 . 1 . . . . A 160 LYS CB . 34912 1 1591 . 1 . 1 160 160 LYS CG C 13 24.683 0.076 . 1 . . . . A 160 LYS CG . 34912 1 1592 . 1 . 1 160 160 LYS CD C 13 29.370 0.032 . 1 . . . . A 160 LYS CD . 34912 1 1593 . 1 . 1 160 160 LYS CE C 13 42.265 0.060 . 1 . . . . A 160 LYS CE . 34912 1 1594 . 1 . 1 160 160 LYS N N 15 120.843 0.015 . 1 . . . . A 160 LYS N . 34912 1 1595 . 1 . 1 161 161 LYS H H 1 8.345 0.001 . 1 . . . . A 161 LYS H . 34912 1 1596 . 1 . 1 161 161 LYS HA H 1 4.200 0.004 . 1 . . . . A 161 LYS HA . 34912 1 1597 . 1 . 1 161 161 LYS HB2 H 1 1.779 0.016 . 2 . . . . A 161 LYS HB2 . 34912 1 1598 . 1 . 1 161 161 LYS HB3 H 1 1.779 0.016 . 2 . . . . A 161 LYS HB3 . 34912 1 1599 . 1 . 1 161 161 LYS HG2 H 1 1.446 0.003 . 2 . . . . A 161 LYS HG2 . 34912 1 1600 . 1 . 1 161 161 LYS HG3 H 1 1.446 0.003 . 2 . . . . A 161 LYS HG3 . 34912 1 1601 . 1 . 1 161 161 LYS HD2 H 1 1.671 0.013 . 2 . . . . A 161 LYS HD2 . 34912 1 1602 . 1 . 1 161 161 LYS HD3 H 1 1.671 0.013 . 2 . . . . A 161 LYS HD3 . 34912 1 1603 . 1 . 1 161 161 LYS HE2 H 1 2.983 0.020 . 2 . . . . A 161 LYS HE2 . 34912 1 1604 . 1 . 1 161 161 LYS HE3 H 1 2.983 0.020 . 2 . . . . A 161 LYS HE3 . 34912 1 1605 . 1 . 1 161 161 LYS CA C 13 56.825 0.044 . 1 . . . . A 161 LYS CA . 34912 1 1606 . 1 . 1 161 161 LYS CB C 13 32.953 0.083 . 1 . . . . A 161 LYS CB . 34912 1 1607 . 1 . 1 161 161 LYS CG C 13 24.929 0.030 . 1 . . . . A 161 LYS CG . 34912 1 1608 . 1 . 1 161 161 LYS CD C 13 29.227 0.095 . 1 . . . . A 161 LYS CD . 34912 1 1609 . 1 . 1 161 161 LYS CE C 13 42.179 0.200 . 1 . . . . A 161 LYS CE . 34912 1 1610 . 1 . 1 161 161 LYS N N 15 125.668 0.012 . 1 . . . . A 161 LYS N . 34912 1 1611 . 1 . 1 162 162 LYS H H 1 8.498 0.001 . 1 . . . . A 162 LYS H . 34912 1 1612 . 1 . 1 162 162 LYS HA H 1 4.275 0.012 . 1 . . . . A 162 LYS HA . 34912 1 1613 . 1 . 1 162 162 LYS HB2 H 1 1.821 0.002 . 2 . . . . A 162 LYS HB2 . 34912 1 1614 . 1 . 1 162 162 LYS HB3 H 1 1.726 0.012 . 2 . . . . A 162 LYS HB3 . 34912 1 1615 . 1 . 1 162 162 LYS HG2 H 1 1.390 0.016 . 2 . . . . A 162 LYS HG2 . 34912 1 1616 . 1 . 1 162 162 LYS HG3 H 1 1.390 0.016 . 2 . . . . A 162 LYS HG3 . 34912 1 1617 . 1 . 1 162 162 LYS HD2 H 1 1.650 0.020 . 2 . . . . A 162 LYS HD2 . 34912 1 1618 . 1 . 1 162 162 LYS HD3 H 1 1.650 0.020 . 2 . . . . A 162 LYS HD3 . 34912 1 1619 . 1 . 1 162 162 LYS CA C 13 56.388 0.027 . 1 . . . . A 162 LYS CA . 34912 1 1620 . 1 . 1 162 162 LYS CB C 13 33.065 0.022 . 1 . . . . A 162 LYS CB . 34912 1 1621 . 1 . 1 162 162 LYS CG C 13 24.684 0.080 . 1 . . . . A 162 LYS CG . 34912 1 1622 . 1 . 1 162 162 LYS CD C 13 29.147 0.200 . 1 . . . . A 162 LYS CD . 34912 1 1623 . 1 . 1 162 162 LYS N N 15 123.142 0.024 . 1 . . . . A 162 LYS N . 34912 1 1624 . 1 . 1 163 163 ASN HA H 1 4.719 0.020 . 1 . . . . A 163 ASN HA . 34912 1 1625 . 1 . 1 163 163 ASN HB2 H 1 2.842 0.020 . 2 . . . . A 163 ASN HB2 . 34912 1 1626 . 1 . 1 163 163 ASN HB3 H 1 2.770 0.020 . 2 . . . . A 163 ASN HB3 . 34912 1 1627 . 1 . 1 163 163 ASN HD21 H 1 7.634 0.003 . 2 . . . . A 163 ASN HD21 . 34912 1 1628 . 1 . 1 163 163 ASN HD22 H 1 6.939 0.006 . 2 . . . . A 163 ASN HD22 . 34912 1 1629 . 1 . 1 163 163 ASN CA C 13 53.246 0.200 . 1 . . . . A 163 ASN CA . 34912 1 1630 . 1 . 1 163 163 ASN CB C 13 39.009 0.012 . 1 . . . . A 163 ASN CB . 34912 1 1631 . 1 . 1 163 163 ASN ND2 N 15 112.900 0.049 . 1 . . . . A 163 ASN ND2 . 34912 1 1632 . 1 . 1 166 166 SER HA H 1 4.455 0.013 . 1 . . . . A 166 SER HA . 34912 1 1633 . 1 . 1 166 166 SER HB2 H 1 3.874 0.006 . 2 . . . . A 166 SER HB2 . 34912 1 1634 . 1 . 1 166 166 SER HB3 H 1 3.874 0.006 . 2 . . . . A 166 SER HB3 . 34912 1 1635 . 1 . 1 166 166 SER CA C 13 58.713 0.052 . 1 . . . . A 166 SER CA . 34912 1 1636 . 1 . 1 166 166 SER CB C 13 63.702 0.040 . 1 . . . . A 166 SER CB . 34912 1 1637 . 1 . 1 167 167 VAL H H 1 8.055 0.020 . 1 . . . . A 167 VAL H . 34912 1 1638 . 1 . 1 167 167 VAL HA H 1 4.067 0.003 . 1 . . . . A 167 VAL HA . 34912 1 1639 . 1 . 1 167 167 VAL HB H 1 2.076 0.004 . 1 . . . . A 167 VAL HB . 34912 1 1640 . 1 . 1 167 167 VAL HG11 H 1 0.904 0.004 . 2 . . . . A 167 VAL HG11 . 34912 1 1641 . 1 . 1 167 167 VAL HG12 H 1 0.904 0.004 . 2 . . . . A 167 VAL HG12 . 34912 1 1642 . 1 . 1 167 167 VAL HG13 H 1 0.904 0.004 . 2 . . . . A 167 VAL HG13 . 34912 1 1643 . 1 . 1 167 167 VAL HG21 H 1 0.912 0.005 . 2 . . . . A 167 VAL HG21 . 34912 1 1644 . 1 . 1 167 167 VAL HG22 H 1 0.912 0.005 . 2 . . . . A 167 VAL HG22 . 34912 1 1645 . 1 . 1 167 167 VAL HG23 H 1 0.912 0.005 . 2 . . . . A 167 VAL HG23 . 34912 1 1646 . 1 . 1 167 167 VAL CA C 13 62.797 0.073 . 1 . . . . A 167 VAL CA . 34912 1 1647 . 1 . 1 167 167 VAL CB C 13 32.602 0.015 . 1 . . . . A 167 VAL CB . 34912 1 1648 . 1 . 1 167 167 VAL CG1 C 13 21.059 0.042 . 1 . . . . A 167 VAL CG1 . 34912 1 1649 . 1 . 1 167 167 VAL CG2 C 13 20.517 0.052 . 1 . . . . A 167 VAL CG2 . 34912 1 1650 . 1 . 1 167 167 VAL N N 15 120.876 0.013 . 1 . . . . A 167 VAL N . 34912 1 1651 . 1 . 1 168 168 ASP H H 1 8.266 0.002 . 1 . . . . A 168 ASP H . 34912 1 1652 . 1 . 1 168 168 ASP HA H 1 4.551 0.004 . 1 . . . . A 168 ASP HA . 34912 1 1653 . 1 . 1 168 168 ASP HB2 H 1 2.688 0.003 . 2 . . . . A 168 ASP HB2 . 34912 1 1654 . 1 . 1 168 168 ASP HB3 H 1 2.601 0.002 . 2 . . . . A 168 ASP HB3 . 34912 1 1655 . 1 . 1 168 168 ASP CA C 13 54.640 0.010 . 1 . . . . A 168 ASP CA . 34912 1 1656 . 1 . 1 168 168 ASP CB C 13 41.104 0.012 . 1 . . . . A 168 ASP CB . 34912 1 1657 . 1 . 1 168 168 ASP N N 15 123.200 0.007 . 1 . . . . A 168 ASP N . 34912 1 1658 . 1 . 1 169 169 LYS H H 1 8.210 0.002 . 1 . . . . A 169 LYS H . 34912 1 1659 . 1 . 1 169 169 LYS HA H 1 4.185 0.002 . 1 . . . . A 169 LYS HA . 34912 1 1660 . 1 . 1 169 169 LYS HB2 H 1 1.839 0.016 . 2 . . . . A 169 LYS HB2 . 34912 1 1661 . 1 . 1 169 169 LYS HB3 H 1 1.772 0.006 . 2 . . . . A 169 LYS HB3 . 34912 1 1662 . 1 . 1 169 169 LYS HG2 H 1 1.427 0.014 . 2 . . . . A 169 LYS HG2 . 34912 1 1663 . 1 . 1 169 169 LYS HG3 H 1 1.427 0.014 . 2 . . . . A 169 LYS HG3 . 34912 1 1664 . 1 . 1 169 169 LYS HD2 H 1 1.653 0.004 . 2 . . . . A 169 LYS HD2 . 34912 1 1665 . 1 . 1 169 169 LYS HD3 H 1 1.653 0.004 . 2 . . . . A 169 LYS HD3 . 34912 1 1666 . 1 . 1 169 169 LYS HE2 H 1 2.979 0.020 . 2 . . . . A 169 LYS HE2 . 34912 1 1667 . 1 . 1 169 169 LYS HE3 H 1 2.979 0.020 . 2 . . . . A 169 LYS HE3 . 34912 1 1668 . 1 . 1 169 169 LYS CA C 13 57.176 0.020 . 1 . . . . A 169 LYS CA . 34912 1 1669 . 1 . 1 169 169 LYS CB C 13 32.725 0.060 . 1 . . . . A 169 LYS CB . 34912 1 1670 . 1 . 1 169 169 LYS CG C 13 24.835 0.037 . 1 . . . . A 169 LYS CG . 34912 1 1671 . 1 . 1 169 169 LYS CD C 13 29.058 0.079 . 1 . . . . A 169 LYS CD . 34912 1 1672 . 1 . 1 169 169 LYS CE C 13 42.323 0.200 . 1 . . . . A 169 LYS CE . 34912 1 1673 . 1 . 1 169 169 LYS N N 15 121.759 0.036 . 1 . . . . A 169 LYS N . 34912 1 1674 . 1 . 1 170 170 LEU H H 1 8.121 0.002 . 1 . . . . A 170 LEU H . 34912 1 1675 . 1 . 1 170 170 LEU HA H 1 4.247 0.006 . 1 . . . . A 170 LEU HA . 34912 1 1676 . 1 . 1 170 170 LEU HB2 H 1 1.684 0.004 . 2 . . . . A 170 LEU HB2 . 34912 1 1677 . 1 . 1 170 170 LEU HB3 H 1 1.578 0.016 . 2 . . . . A 170 LEU HB3 . 34912 1 1678 . 1 . 1 170 170 LEU HG H 1 1.619 0.003 . 1 . . . . A 170 LEU HG . 34912 1 1679 . 1 . 1 170 170 LEU HD11 H 1 0.895 0.009 . 2 . . . . A 170 LEU HD11 . 34912 1 1680 . 1 . 1 170 170 LEU HD12 H 1 0.895 0.009 . 2 . . . . A 170 LEU HD12 . 34912 1 1681 . 1 . 1 170 170 LEU HD13 H 1 0.895 0.009 . 2 . . . . A 170 LEU HD13 . 34912 1 1682 . 1 . 1 170 170 LEU HD21 H 1 0.835 0.011 . 2 . . . . A 170 LEU HD21 . 34912 1 1683 . 1 . 1 170 170 LEU HD22 H 1 0.835 0.011 . 2 . . . . A 170 LEU HD22 . 34912 1 1684 . 1 . 1 170 170 LEU HD23 H 1 0.835 0.011 . 2 . . . . A 170 LEU HD23 . 34912 1 1685 . 1 . 1 170 170 LEU CA C 13 55.740 0.058 . 1 . . . . A 170 LEU CA . 34912 1 1686 . 1 . 1 170 170 LEU CB C 13 41.903 0.097 . 1 . . . . A 170 LEU CB . 34912 1 1687 . 1 . 1 170 170 LEU CG C 13 27.005 0.017 . 1 . . . . A 170 LEU CG . 34912 1 1688 . 1 . 1 170 170 LEU CD1 C 13 24.858 0.047 . 1 . . . . A 170 LEU CD1 . 34912 1 1689 . 1 . 1 170 170 LEU CD2 C 13 23.438 0.079 . 1 . . . . A 170 LEU CD2 . 34912 1 1690 . 1 . 1 170 170 LEU N N 15 121.829 0.013 . 1 . . . . A 170 LEU N . 34912 1 1691 . 1 . 1 171 171 ALA H H 1 8.016 0.001 . 1 . . . . A 171 ALA H . 34912 1 1692 . 1 . 1 171 171 ALA HA H 1 4.183 0.009 . 1 . . . . A 171 ALA HA . 34912 1 1693 . 1 . 1 171 171 ALA HB1 H 1 1.378 0.020 . 1 . . . . A 171 ALA HB1 . 34912 1 1694 . 1 . 1 171 171 ALA HB2 H 1 1.378 0.020 . 1 . . . . A 171 ALA HB2 . 34912 1 1695 . 1 . 1 171 171 ALA HB3 H 1 1.378 0.020 . 1 . . . . A 171 ALA HB3 . 34912 1 1696 . 1 . 1 171 171 ALA CA C 13 53.139 0.089 . 1 . . . . A 171 ALA CA . 34912 1 1697 . 1 . 1 171 171 ALA CB C 13 18.823 0.200 . 1 . . . . A 171 ALA CB . 34912 1 1698 . 1 . 1 171 171 ALA N N 15 123.588 0.021 . 1 . . . . A 171 ALA N . 34912 1 1699 . 1 . 1 172 172 ALA H H 1 8.050 0.002 . 1 . . . . A 172 ALA H . 34912 1 1700 . 1 . 1 172 172 ALA HA H 1 4.205 0.009 . 1 . . . . A 172 ALA HA . 34912 1 1701 . 1 . 1 172 172 ALA HB1 H 1 1.365 0.008 . 1 . . . . A 172 ALA HB1 . 34912 1 1702 . 1 . 1 172 172 ALA HB2 H 1 1.365 0.008 . 1 . . . . A 172 ALA HB2 . 34912 1 1703 . 1 . 1 172 172 ALA HB3 H 1 1.365 0.008 . 1 . . . . A 172 ALA HB3 . 34912 1 1704 . 1 . 1 172 172 ALA CA C 13 52.990 0.032 . 1 . . . . A 172 ALA CA . 34912 1 1705 . 1 . 1 172 172 ALA CB C 13 18.924 0.025 . 1 . . . . A 172 ALA CB . 34912 1 1706 . 1 . 1 172 172 ALA N N 15 121.862 0.020 . 1 . . . . A 172 ALA N . 34912 1 1707 . 1 . 1 173 173 ALA H H 1 7.983 0.003 . 1 . . . . A 173 ALA H . 34912 1 1708 . 1 . 1 173 173 ALA HA H 1 4.233 0.005 . 1 . . . . A 173 ALA HA . 34912 1 1709 . 1 . 1 173 173 ALA HB1 H 1 1.379 0.003 . 1 . . . . A 173 ALA HB1 . 34912 1 1710 . 1 . 1 173 173 ALA HB2 H 1 1.379 0.003 . 1 . . . . A 173 ALA HB2 . 34912 1 1711 . 1 . 1 173 173 ALA HB3 H 1 1.379 0.003 . 1 . . . . A 173 ALA HB3 . 34912 1 1712 . 1 . 1 173 173 ALA CA C 13 52.815 0.081 . 1 . . . . A 173 ALA CA . 34912 1 1713 . 1 . 1 173 173 ALA CB C 13 18.931 0.021 . 1 . . . . A 173 ALA CB . 34912 1 1714 . 1 . 1 173 173 ALA N N 15 121.737 0.030 . 1 . . . . A 173 ALA N . 34912 1 1715 . 1 . 1 174 174 LEU H H 1 7.956 0.020 . 1 . . . . A 174 LEU H . 34912 1 1716 . 1 . 1 174 174 LEU HA H 1 4.229 0.005 . 1 . . . . A 174 LEU HA . 34912 1 1717 . 1 . 1 174 174 LEU HB2 H 1 1.611 0.012 . 2 . . . . A 174 LEU HB2 . 34912 1 1718 . 1 . 1 174 174 LEU HB3 H 1 1.504 0.005 . 2 . . . . A 174 LEU HB3 . 34912 1 1719 . 1 . 1 174 174 LEU HG H 1 1.608 0.009 . 1 . . . . A 174 LEU HG . 34912 1 1720 . 1 . 1 174 174 LEU HD11 H 1 0.873 0.002 . 2 . . . . A 174 LEU HD11 . 34912 1 1721 . 1 . 1 174 174 LEU HD12 H 1 0.873 0.002 . 2 . . . . A 174 LEU HD12 . 34912 1 1722 . 1 . 1 174 174 LEU HD13 H 1 0.873 0.002 . 2 . . . . A 174 LEU HD13 . 34912 1 1723 . 1 . 1 174 174 LEU HD21 H 1 0.816 0.002 . 2 . . . . A 174 LEU HD21 . 34912 1 1724 . 1 . 1 174 174 LEU HD22 H 1 0.816 0.002 . 2 . . . . A 174 LEU HD22 . 34912 1 1725 . 1 . 1 174 174 LEU HD23 H 1 0.816 0.002 . 2 . . . . A 174 LEU HD23 . 34912 1 1726 . 1 . 1 174 174 LEU CA C 13 55.399 0.038 . 1 . . . . A 174 LEU CA . 34912 1 1727 . 1 . 1 174 174 LEU CB C 13 42.280 0.021 . 1 . . . . A 174 LEU CB . 34912 1 1728 . 1 . 1 174 174 LEU CG C 13 26.900 0.023 . 1 . . . . A 174 LEU CG . 34912 1 1729 . 1 . 1 174 174 LEU CD1 C 13 24.968 0.019 . 1 . . . . A 174 LEU CD1 . 34912 1 1730 . 1 . 1 174 174 LEU CD2 C 13 23.305 0.037 . 1 . . . . A 174 LEU CD2 . 34912 1 1731 . 1 . 1 174 174 LEU N N 15 119.971 0.010 . 1 . . . . A 174 LEU N . 34912 1 1732 . 1 . 1 175 175 GLU H H 1 8.090 0.001 . 1 . . . . A 175 GLU H . 34912 1 1733 . 1 . 1 175 175 GLU HA H 1 4.143 0.004 . 1 . . . . A 175 GLU HA . 34912 1 1734 . 1 . 1 175 175 GLU HB2 H 1 1.870 0.003 . 2 . . . . A 175 GLU HB2 . 34912 1 1735 . 1 . 1 175 175 GLU HB3 H 1 1.870 0.003 . 2 . . . . A 175 GLU HB3 . 34912 1 1736 . 1 . 1 175 175 GLU HG2 H 1 2.189 0.002 . 2 . . . . A 175 GLU HG2 . 34912 1 1737 . 1 . 1 175 175 GLU HG3 H 1 2.112 0.002 . 2 . . . . A 175 GLU HG3 . 34912 1 1738 . 1 . 1 175 175 GLU CA C 13 56.715 0.010 . 1 . . . . A 175 GLU CA . 34912 1 1739 . 1 . 1 175 175 GLU CB C 13 30.255 0.012 . 1 . . . . A 175 GLU CB . 34912 1 1740 . 1 . 1 175 175 GLU CG C 13 36.106 0.027 . 1 . . . . A 175 GLU CG . 34912 1 1741 . 1 . 1 175 175 GLU N N 15 120.298 0.008 . 1 . . . . A 175 GLU N . 34912 1 1742 . 1 . 1 176 176 HIS H H 1 8.192 0.001 . 1 . . . . A 176 HIS H . 34912 1 1743 . 1 . 1 176 176 HIS HA H 1 4.533 0.002 . 1 . . . . A 176 HIS HA . 34912 1 1744 . 1 . 1 176 176 HIS HB2 H 1 2.997 0.002 . 2 . . . . A 176 HIS HB2 . 34912 1 1745 . 1 . 1 176 176 HIS HB3 H 1 2.997 0.002 . 2 . . . . A 176 HIS HB3 . 34912 1 1746 . 1 . 1 176 176 HIS CA C 13 55.970 0.020 . 1 . . . . A 176 HIS CA . 34912 1 1747 . 1 . 1 176 176 HIS CB C 13 30.267 0.020 . 1 . . . . A 176 HIS CB . 34912 1 1748 . 1 . 1 176 176 HIS N N 15 119.219 0.034 . 1 . . . . A 176 HIS N . 34912 1 stop_ save_