data_50623 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50623 _Entry.Title ; NMR 1H, 13C, 15N resonance assignment of the full-length K-Ras bound to GDP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-12-08 _Entry.Accession_date 2020-12-08 _Entry.Last_release_date 2020-12-08 _Entry.Original_release_date 2020-12-08 _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 _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 ; NMR assignments of human K-Ras bound to GDP. 13C/15N labeled protein was treated with DMSO-d6 and subsequently purified using LC methods. ; _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 Alok Sharma . . . . 50623 2 Anna Maciag . . . . 50623 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50623 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 763 50623 '15N chemical shifts' 190 50623 '1H chemical shifts' 1255 50623 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 . . 2025-04-19 . original BMRB . 50623 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50651 'T35S mutant of K-Ras4b(1-169) bound to GppNHp' 50623 BMRB 50652 'T35S/Q61L mutant of K-Ras4b(1-169) bound to GppNHp' 50623 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50623 _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 ; NMR 1H, 13C, 15N resonance assignment of the full-length K-Ras bound to GDP ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 Alok Sharma . . . . 50623 1 2 Anna Maciag . . . . 50623 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'K-RAS4B, NMR ASSIGNMENTS, CANCER, GDP' 50623 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50623 _Assembly.ID 1 _Assembly.Name 'KRAS4b bound to GDP' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 KRAS4b 1 $entity_1 . . yes native no no . . . 50623 1 2 GDP 2 $entity_GDP . . no native no no . . . 50623 1 3 'Mg ion' 3 $entity_MG . . no native no no . . . 50623 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50623 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTEYKLVVVGAGGVGKSALT IQLIQNHFVDEYDPTIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHHYREQI KRVKDSEDVPMVLVGNKCDL PSRTVDTKQAQDLARSYGIP FIETSAKTRQGVDDAFYTLV REIRKHKEKMSKDGKKKKKK SKTKCVIM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-188 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 188 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . 50623 1 2 . THR . 50623 1 3 . GLU . 50623 1 4 . TYR . 50623 1 5 . LYS . 50623 1 6 . LEU . 50623 1 7 . VAL . 50623 1 8 . VAL . 50623 1 9 . VAL . 50623 1 10 . GLY . 50623 1 11 . ALA . 50623 1 12 . GLY . 50623 1 13 . GLY . 50623 1 14 . VAL . 50623 1 15 . GLY . 50623 1 16 . LYS . 50623 1 17 . SER . 50623 1 18 . ALA . 50623 1 19 . LEU . 50623 1 20 . THR . 50623 1 21 . ILE . 50623 1 22 . GLN . 50623 1 23 . LEU . 50623 1 24 . ILE . 50623 1 25 . GLN . 50623 1 26 . ASN . 50623 1 27 . HIS . 50623 1 28 . PHE . 50623 1 29 . VAL . 50623 1 30 . ASP . 50623 1 31 . GLU . 50623 1 32 . TYR . 50623 1 33 . ASP . 50623 1 34 . PRO . 50623 1 35 . THR . 50623 1 36 . ILE . 50623 1 37 . GLU . 50623 1 38 . ASP . 50623 1 39 . SER . 50623 1 40 . TYR . 50623 1 41 . ARG . 50623 1 42 . LYS . 50623 1 43 . GLN . 50623 1 44 . VAL . 50623 1 45 . VAL . 50623 1 46 . ILE . 50623 1 47 . ASP . 50623 1 48 . GLY . 50623 1 49 . GLU . 50623 1 50 . THR . 50623 1 51 . CYS . 50623 1 52 . LEU . 50623 1 53 . LEU . 50623 1 54 . ASP . 50623 1 55 . ILE . 50623 1 56 . LEU . 50623 1 57 . ASP . 50623 1 58 . THR . 50623 1 59 . ALA . 50623 1 60 . GLY . 50623 1 61 . GLN . 50623 1 62 . GLU . 50623 1 63 . GLU . 50623 1 64 . TYR . 50623 1 65 . SER . 50623 1 66 . ALA . 50623 1 67 . MET . 50623 1 68 . ARG . 50623 1 69 . ASP . 50623 1 70 . GLN . 50623 1 71 . TYR . 50623 1 72 . MET . 50623 1 73 . ARG . 50623 1 74 . THR . 50623 1 75 . GLY . 50623 1 76 . GLU . 50623 1 77 . GLY . 50623 1 78 . PHE . 50623 1 79 . LEU . 50623 1 80 . CYS . 50623 1 81 . VAL . 50623 1 82 . PHE . 50623 1 83 . ALA . 50623 1 84 . ILE . 50623 1 85 . ASN . 50623 1 86 . ASN . 50623 1 87 . THR . 50623 1 88 . LYS . 50623 1 89 . SER . 50623 1 90 . PHE . 50623 1 91 . GLU . 50623 1 92 . ASP . 50623 1 93 . ILE . 50623 1 94 . HIS . 50623 1 95 . HIS . 50623 1 96 . TYR . 50623 1 97 . ARG . 50623 1 98 . GLU . 50623 1 99 . GLN . 50623 1 100 . ILE . 50623 1 101 . LYS . 50623 1 102 . ARG . 50623 1 103 . VAL . 50623 1 104 . LYS . 50623 1 105 . ASP . 50623 1 106 . SER . 50623 1 107 . GLU . 50623 1 108 . ASP . 50623 1 109 . VAL . 50623 1 110 . PRO . 50623 1 111 . MET . 50623 1 112 . VAL . 50623 1 113 . LEU . 50623 1 114 . VAL . 50623 1 115 . GLY . 50623 1 116 . ASN . 50623 1 117 . LYS . 50623 1 118 . CYS . 50623 1 119 . ASP . 50623 1 120 . LEU . 50623 1 121 . PRO . 50623 1 122 . SER . 50623 1 123 . ARG . 50623 1 124 . THR . 50623 1 125 . VAL . 50623 1 126 . ASP . 50623 1 127 . THR . 50623 1 128 . LYS . 50623 1 129 . GLN . 50623 1 130 . ALA . 50623 1 131 . GLN . 50623 1 132 . ASP . 50623 1 133 . LEU . 50623 1 134 . ALA . 50623 1 135 . ARG . 50623 1 136 . SER . 50623 1 137 . TYR . 50623 1 138 . GLY . 50623 1 139 . ILE . 50623 1 140 . PRO . 50623 1 141 . PHE . 50623 1 142 . ILE . 50623 1 143 . GLU . 50623 1 144 . THR . 50623 1 145 . SER . 50623 1 146 . ALA . 50623 1 147 . LYS . 50623 1 148 . THR . 50623 1 149 . ARG . 50623 1 150 . GLN . 50623 1 151 . GLY . 50623 1 152 . VAL . 50623 1 153 . ASP . 50623 1 154 . ASP . 50623 1 155 . ALA . 50623 1 156 . PHE . 50623 1 157 . TYR . 50623 1 158 . THR . 50623 1 159 . LEU . 50623 1 160 . VAL . 50623 1 161 . ARG . 50623 1 162 . GLU . 50623 1 163 . ILE . 50623 1 164 . ARG . 50623 1 165 . LYS . 50623 1 166 . HIS . 50623 1 167 . LYS . 50623 1 168 . GLU . 50623 1 169 . LYS . 50623 1 170 . MET . 50623 1 171 . SER . 50623 1 172 . LYS . 50623 1 173 . ASP . 50623 1 174 . GLY . 50623 1 175 . LYS . 50623 1 176 . LYS . 50623 1 177 . LYS . 50623 1 178 . LYS . 50623 1 179 . LYS . 50623 1 180 . LYS . 50623 1 181 . SER . 50623 1 182 . LYS . 50623 1 183 . THR . 50623 1 184 . LYS . 50623 1 185 . CYS . 50623 1 186 . VAL . 50623 1 187 . ILE . 50623 1 188 . MET . 50623 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 50623 1 . THR 2 2 50623 1 . GLU 3 3 50623 1 . TYR 4 4 50623 1 . LYS 5 5 50623 1 . LEU 6 6 50623 1 . VAL 7 7 50623 1 . VAL 8 8 50623 1 . VAL 9 9 50623 1 . GLY 10 10 50623 1 . ALA 11 11 50623 1 . GLY 12 12 50623 1 . GLY 13 13 50623 1 . VAL 14 14 50623 1 . GLY 15 15 50623 1 . LYS 16 16 50623 1 . SER 17 17 50623 1 . ALA 18 18 50623 1 . LEU 19 19 50623 1 . THR 20 20 50623 1 . ILE 21 21 50623 1 . GLN 22 22 50623 1 . LEU 23 23 50623 1 . ILE 24 24 50623 1 . GLN 25 25 50623 1 . ASN 26 26 50623 1 . HIS 27 27 50623 1 . PHE 28 28 50623 1 . VAL 29 29 50623 1 . ASP 30 30 50623 1 . GLU 31 31 50623 1 . TYR 32 32 50623 1 . ASP 33 33 50623 1 . PRO 34 34 50623 1 . THR 35 35 50623 1 . ILE 36 36 50623 1 . GLU 37 37 50623 1 . ASP 38 38 50623 1 . SER 39 39 50623 1 . TYR 40 40 50623 1 . ARG 41 41 50623 1 . LYS 42 42 50623 1 . GLN 43 43 50623 1 . VAL 44 44 50623 1 . VAL 45 45 50623 1 . ILE 46 46 50623 1 . ASP 47 47 50623 1 . GLY 48 48 50623 1 . GLU 49 49 50623 1 . THR 50 50 50623 1 . CYS 51 51 50623 1 . LEU 52 52 50623 1 . LEU 53 53 50623 1 . ASP 54 54 50623 1 . ILE 55 55 50623 1 . LEU 56 56 50623 1 . ASP 57 57 50623 1 . THR 58 58 50623 1 . ALA 59 59 50623 1 . GLY 60 60 50623 1 . GLN 61 61 50623 1 . GLU 62 62 50623 1 . GLU 63 63 50623 1 . TYR 64 64 50623 1 . SER 65 65 50623 1 . ALA 66 66 50623 1 . MET 67 67 50623 1 . ARG 68 68 50623 1 . ASP 69 69 50623 1 . GLN 70 70 50623 1 . TYR 71 71 50623 1 . MET 72 72 50623 1 . ARG 73 73 50623 1 . THR 74 74 50623 1 . GLY 75 75 50623 1 . GLU 76 76 50623 1 . GLY 77 77 50623 1 . PHE 78 78 50623 1 . LEU 79 79 50623 1 . CYS 80 80 50623 1 . VAL 81 81 50623 1 . PHE 82 82 50623 1 . ALA 83 83 50623 1 . ILE 84 84 50623 1 . ASN 85 85 50623 1 . ASN 86 86 50623 1 . THR 87 87 50623 1 . LYS 88 88 50623 1 . SER 89 89 50623 1 . PHE 90 90 50623 1 . GLU 91 91 50623 1 . ASP 92 92 50623 1 . ILE 93 93 50623 1 . HIS 94 94 50623 1 . HIS 95 95 50623 1 . TYR 96 96 50623 1 . ARG 97 97 50623 1 . GLU 98 98 50623 1 . GLN 99 99 50623 1 . ILE 100 100 50623 1 . LYS 101 101 50623 1 . ARG 102 102 50623 1 . VAL 103 103 50623 1 . LYS 104 104 50623 1 . ASP 105 105 50623 1 . SER 106 106 50623 1 . GLU 107 107 50623 1 . ASP 108 108 50623 1 . VAL 109 109 50623 1 . PRO 110 110 50623 1 . MET 111 111 50623 1 . VAL 112 112 50623 1 . LEU 113 113 50623 1 . VAL 114 114 50623 1 . GLY 115 115 50623 1 . ASN 116 116 50623 1 . LYS 117 117 50623 1 . CYS 118 118 50623 1 . ASP 119 119 50623 1 . LEU 120 120 50623 1 . PRO 121 121 50623 1 . SER 122 122 50623 1 . ARG 123 123 50623 1 . THR 124 124 50623 1 . VAL 125 125 50623 1 . ASP 126 126 50623 1 . THR 127 127 50623 1 . LYS 128 128 50623 1 . GLN 129 129 50623 1 . ALA 130 130 50623 1 . GLN 131 131 50623 1 . ASP 132 132 50623 1 . LEU 133 133 50623 1 . ALA 134 134 50623 1 . ARG 135 135 50623 1 . SER 136 136 50623 1 . TYR 137 137 50623 1 . GLY 138 138 50623 1 . ILE 139 139 50623 1 . PRO 140 140 50623 1 . PHE 141 141 50623 1 . ILE 142 142 50623 1 . GLU 143 143 50623 1 . THR 144 144 50623 1 . SER 145 145 50623 1 . ALA 146 146 50623 1 . LYS 147 147 50623 1 . THR 148 148 50623 1 . ARG 149 149 50623 1 . GLN 150 150 50623 1 . GLY 151 151 50623 1 . VAL 152 152 50623 1 . ASP 153 153 50623 1 . ASP 154 154 50623 1 . ALA 155 155 50623 1 . PHE 156 156 50623 1 . TYR 157 157 50623 1 . THR 158 158 50623 1 . LEU 159 159 50623 1 . VAL 160 160 50623 1 . ARG 161 161 50623 1 . GLU 162 162 50623 1 . ILE 163 163 50623 1 . ARG 164 164 50623 1 . LYS 165 165 50623 1 . HIS 166 166 50623 1 . LYS 167 167 50623 1 . GLU 168 168 50623 1 . LYS 169 169 50623 1 . MET 170 170 50623 1 . SER 171 171 50623 1 . LYS 172 172 50623 1 . ASP 173 173 50623 1 . GLY 174 174 50623 1 . LYS 175 175 50623 1 . LYS 176 176 50623 1 . LYS 177 177 50623 1 . LYS 178 178 50623 1 . LYS 179 179 50623 1 . LYS 180 180 50623 1 . SER 181 181 50623 1 . LYS 182 182 50623 1 . THR 183 183 50623 1 . LYS 184 184 50623 1 . CYS 185 185 50623 1 . VAL 186 186 50623 1 . ILE 187 187 50623 1 . MET 188 188 50623 1 stop_ save_ save_entity_GDP _Entity.Sf_category entity _Entity.Sf_framecode entity_GDP _Entity.Entry_ID 50623 _Entity.ID 2 _Entity.BMRB_code GDP _Entity.Name entity_GDP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GDP _Entity.Nonpolymer_comp_label $chem_comp_GDP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 443.201 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GUANOSINE-5'-DIPHOSPHATE BMRB 50623 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID GUANOSINE-5'-DIPHOSPHATE BMRB 50623 2 GDP 'Three letter code' 50623 2 stop_ 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 1 GDP $chem_comp_GDP 50623 2 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 50623 _Entity.ID 3 _Entity.BMRB_code MG _Entity.Name entity_MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 50623 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 50623 3 MG 'Three letter code' 50623 3 stop_ 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 1 MG $chem_comp_MG 50623 3 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50623 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50623 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50623 _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' . . . Escherichia coli . . . plasmid . . pET . . . 50623 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GDP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GDP _Chem_comp.Entry_ID 50623 _Chem_comp.ID GDP _Chem_comp.Provenance PDB _Chem_comp.Name GUANOSINE-5'-DIPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code GDP _Chem_comp.PDB_code GDP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-05-13 _Chem_comp.Modified_date 2014-05-13 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code G _Chem_comp.Three_letter_code GDP _Chem_comp.Number_atoms_all 43 _Chem_comp.Number_atoms_nh 28 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID G _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O11 P2' _Chem_comp.Formula_weight 443.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EK0 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; InChI InChI 1.03 50623 GDP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.385 50623 GDP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.385 50623 GDP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 12.01 50623 GDP QGWNDRXFNXRZMB-UUOKFMHZSA-N InChIKey InChI 1.03 50623 GDP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.7.6 50623 GDP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 50623 GDP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 50623 GDP "guanosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 50623 GDP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB PB PB PB . P . . N 0 . . . 1 no no . . . . 13.635 . 17.027 . 28.402 . -5.743 -1.471 0.475 1 . 50623 GDP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 14.317 . 18.299 . 28.131 . -6.829 -0.831 -0.300 2 . 50623 GDP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 14.465 . 15.868 . 28.851 . -6.293 -1.885 1.930 3 . 50623 GDP O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 12.657 . 17.014 . 29.609 . -5.234 -2.787 -0.301 4 . 50623 GDP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 13.031 . 16.438 . 26.904 . -4.519 -0.438 0.638 5 . 50623 GDP PA PA PA PA . P . . N 0 . . . 1 no no . . . . 12.164 . 17.382 . 25.843 . -3.821 0.633 -0.340 6 . 50623 GDP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 11.308 . 16.310 . 25.239 . -3.718 0.063 -1.702 7 . 50623 GDP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 11.654 . 18.737 . 26.082 . -4.708 1.976 -0.386 8 . 50623 GDP O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 13.417 . 17.470 . 24.852 . -2.348 0.981 0.208 9 . 50623 GDP C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 14.543 . 18.324 . 25.037 . -1.434 1.823 -0.497 10 . 50623 GDP C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 15.043 . 18.710 . 23.648 . -0.133 1.943 0.299 11 . 50623 GDP O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . 15.183 . 17.536 . 22.793 . 0.533 0.670 0.344 12 . 50623 GDP C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 13.926 . 19.400 . 22.829 . 0.820 2.933 -0.399 13 . 50623 GDP O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 14.002 . 20.787 . 23.226 . 1.125 4.028 0.467 14 . 50623 GDP C2' C2' C2' C2' . C . . R 0 . . . 1 no no . . . . 14.511 . 19.303 . 21.406 . 2.091 2.098 -0.686 15 . 50623 GDP O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . 15.627 . 20.165 . 21.220 . 3.271 2.861 -0.428 16 . 50623 GDP C1' C1' C1' C1' . C . . R 0 . . . 1 no no . . . . 15.015 . 17.874 . 21.438 . 1.952 0.935 0.329 17 . 50623 GDP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 13.968 . 16.928 . 20.922 . 2.691 -0.243 -0.132 18 . 50623 GDP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 13.129 . 16.056 . 21.555 . 2.200 -1.252 -0.908 19 . 50623 GDP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 12.358 . 15.405 . 20.737 . 3.131 -2.134 -1.125 20 . 50623 GDP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 12.701 . 15.869 . 19.474 . 4.272 -1.746 -0.504 21 . 50623 GDP C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 12.214 . 15.545 . 18.183 . 5.571 -2.295 -0.396 22 . 50623 GDP O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 11.326 . 14.728 . 17.882 . 5.850 -3.350 -0.939 23 . 50623 GDP N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 12.870 . 16.282 . 17.187 . 6.495 -1.620 0.324 24 . 50623 GDP C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 13.858 . 17.205 . 17.402 . 6.171 -0.441 0.927 25 . 50623 GDP N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 14.348 . 17.795 . 16.316 . 7.130 0.222 1.651 26 . 50623 GDP N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 14.329 . 17.524 . 18.614 . 4.968 0.079 0.834 27 . 50623 GDP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 13.701 . 16.819 . 19.565 . 4.003 -0.529 0.133 28 . 50623 GDP HOB2 HOB2 HOB2 HOB2 . H . . N 0 . . . 0 no no . . . . 15.376 . 16.131 . 28.902 . -7.033 -2.508 1.908 29 . 50623 GDP HOB3 HOB3 HOB3 HOB3 . H . . N 0 . . . 0 no no . . . . 12.643 . 17.873 . 30.015 . -4.521 -3.259 0.151 30 . 50623 GDP HOA2 HOA2 HOA2 HOA2 . H . . N 0 . . . 0 no no . . . . 10.749 . 18.789 . 25.799 . -4.818 2.404 0.474 31 . 50623 GDP H5' H5' H5' H5'1 . H . . N 0 . . . 1 no no . . . . 14.247 . 19.224 . 25.596 . -1.222 1.390 -1.475 32 . 50623 GDP H5'' H5'' H5'' H5'2 . H . . N 0 . . . 0 no no . . . . 15.333 . 17.793 . 25.589 . -1.874 2.811 -0.625 33 . 50623 GDP H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 15.955 . 19.324 . 23.692 . -0.349 2.285 1.312 34 . 50623 GDP H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 12.939 . 18.927 . 22.938 . 0.380 3.294 -1.329 35 . 50623 GDP HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 no yes . . . . 13.340 . 21.286 . 22.762 . 1.722 4.683 0.078 36 . 50623 GDP H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 13.729 . 19.439 . 20.644 . 2.088 1.724 -1.710 37 . 50623 GDP HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 no no . . . . 15.954 . 20.073 . 20.333 . 3.357 3.652 -0.979 38 . 50623 GDP H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . 15.948 . 17.778 . 20.863 . 2.295 1.244 1.316 39 . 50623 GDP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 13.109 . 15.921 . 22.626 . 1.190 -1.310 -1.285 40 . 50623 GDP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 12.593 . 16.120 . 16.240 . 7.392 -1.977 0.412 41 . 50623 GDP HN21 HN21 HN21 HN21 . H . . N 0 . . . 0 no no . . . . 15.071 . 18.480 . 16.402 . 8.023 -0.150 1.728 42 . 50623 GDP HN22 HN22 HN22 HN22 . H . . N 0 . . . 0 no no . . . . 13.993 . 17.554 . 15.413 . 6.915 1.062 2.086 43 . 50623 GDP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 50623 GDP 2 . SING PB O2B no N 2 . 50623 GDP 3 . SING PB O3B no N 3 . 50623 GDP 4 . SING PB O3A no N 4 . 50623 GDP 5 . SING O2B HOB2 no N 5 . 50623 GDP 6 . SING O3B HOB3 no N 6 . 50623 GDP 7 . SING O3A PA no N 7 . 50623 GDP 8 . DOUB PA O1A no N 8 . 50623 GDP 9 . SING PA O2A no N 9 . 50623 GDP 10 . SING PA O5' no N 10 . 50623 GDP 11 . SING O2A HOA2 no N 11 . 50623 GDP 12 . SING O5' C5' no N 12 . 50623 GDP 13 . SING C5' C4' no N 13 . 50623 GDP 14 . SING C5' H5' no N 14 . 50623 GDP 15 . SING C5' H5'' no N 15 . 50623 GDP 16 . SING C4' O4' no N 16 . 50623 GDP 17 . SING C4' C3' no N 17 . 50623 GDP 18 . SING C4' H4' no N 18 . 50623 GDP 19 . SING O4' C1' no N 19 . 50623 GDP 20 . SING C3' O3' no N 20 . 50623 GDP 21 . SING C3' C2' no N 21 . 50623 GDP 22 . SING C3' H3' no N 22 . 50623 GDP 23 . SING O3' HO3' no N 23 . 50623 GDP 24 . SING C2' O2' no N 24 . 50623 GDP 25 . SING C2' C1' no N 25 . 50623 GDP 26 . SING C2' H2' no N 26 . 50623 GDP 27 . SING O2' HO2' no N 27 . 50623 GDP 28 . SING C1' N9 no N 28 . 50623 GDP 29 . SING C1' H1' no N 29 . 50623 GDP 30 . SING N9 C8 yes N 30 . 50623 GDP 31 . SING N9 C4 yes N 31 . 50623 GDP 32 . DOUB C8 N7 yes N 32 . 50623 GDP 33 . SING C8 H8 no N 33 . 50623 GDP 34 . SING N7 C5 yes N 34 . 50623 GDP 35 . SING C5 C6 no N 35 . 50623 GDP 36 . DOUB C5 C4 yes N 36 . 50623 GDP 37 . DOUB C6 O6 no N 37 . 50623 GDP 38 . SING C6 N1 no N 38 . 50623 GDP 39 . SING N1 C2 no N 39 . 50623 GDP 40 . SING N1 HN1 no N 40 . 50623 GDP 41 . SING C2 N2 no N 41 . 50623 GDP 42 . DOUB C2 N3 no N 42 . 50623 GDP 43 . SING N2 HN21 no N 43 . 50623 GDP 44 . SING N2 HN22 no N 44 . 50623 GDP 45 . SING N3 C4 no N 45 . 50623 GDP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 50623 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 50623 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 50623 MG [Mg++] SMILES CACTVS 3.341 50623 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 50623 MG [Mg+2] SMILES ACDLabs 10.04 50623 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 50623 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50623 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 50623 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50623 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50623 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50623 _Sample.ID 1 _Sample.Name '13C 15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20mM MES, 50mM NaCl, 100mM KCl, 2mM MgCl2, 1mM TCEP, pH 6.5 Sample was treated with DMSO-d6 and subsequently purified using FPLC. ; _Sample.Aggregate_sample_number 1 _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 Protein '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 0.7 0.9 mM 0.05 . . . 50623 1 2 D2O [U-2H] . . . . . . 7 . . % 0.05 . . . 50623 1 3 DSS 'natural abundance' . . . . . . 0.5 . . mM 0.05 . . . 50623 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 50623 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 2 . . . 50623 1 6 TCEP [U-2H] . . . . . . 1 . . mM 0.05 . . . 50623 1 7 MES [U-2H] . . . . . . 20 . . mM 1 . . . 50623 1 8 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % 0.005 . . . 50623 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 50623 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Room Temp' _Sample_condition_list.Details 'Data were collected with sample at RT' 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' 0.15 . M 50623 1 pH 6.5 . pH 50623 1 pressure 1 . atm 50623 1 temperature 298 . K 50623 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50623 _Software.ID 1 _Software.Type . _Software.Name NMRDraw _Software.Version 10.9 _Software.DOI . _Software.Details 'Revision 2020.119.13.27' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50623 1 'peak picking' . 50623 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50623 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 10.9 _Software.DOI . _Software.Details 'Revision 2020.119.13.27' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50623 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50623 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version v2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50623 3 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 50623 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD/TS 3.5.6' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50623 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance/TS 2.1.6' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50623 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Avance III/TS 3.5.6' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50623 _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 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50623 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50623 1 3 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50623 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50623 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50623 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50623 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50623 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50623 1 9 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50623 1 10 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50623 1 11 '3D 13C-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50623 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50623 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 50623 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 0.00 na indirect 0.251449530 . . . . . 50623 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50623 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50623 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 50623 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name deposit.bmrb _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 9 '3D C(CO)NH' . . . 50623 1 10 '3D 15N-separated NOESY' . . . 50623 1 11 '3D 13C-separated NOESY' . . . 50623 1 12 '3D 1H-13C NOESY aromatic' . . . 50623 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 50623 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.552 0.020 . 1 . . . . . 1 MET HA . 50623 1 2 . 1 . 1 1 1 MET HB2 H 1 1.896 0.020 . 2 . . . . . 1 MET HB2 . 50623 1 3 . 1 . 1 1 1 MET HB3 H 1 1.901 0.020 . 2 . . . . . 1 MET HB3 . 50623 1 4 . 1 . 1 1 1 MET HG2 H 1 2.335 0.020 . 2 . . . . . 1 MET HG2 . 50623 1 5 . 1 . 1 1 1 MET HG3 H 1 2.335 0.020 . 2 . . . . . 1 MET HG3 . 50623 1 6 . 1 . 1 1 1 MET C C 13 172.690 0.400 . 1 . . . . . 1 MET C . 50623 1 7 . 1 . 1 1 1 MET CA C 13 55.468 0.400 . 1 . . . . . 1 MET CA . 50623 1 8 . 1 . 1 1 1 MET CB C 13 34.153 0.400 . 1 . . . . . 1 MET CB . 50623 1 9 . 1 . 1 1 1 MET CG C 13 31.125 0.400 . 1 . . . . . 1 MET CG . 50623 1 10 . 1 . 1 2 2 THR H H 1 8.708 0.020 . 1 . . . . . 2 THR H . 50623 1 11 . 1 . 1 2 2 THR HA H 1 3.991 0.020 . 1 . . . . . 2 THR HA . 50623 1 12 . 1 . 1 2 2 THR HB H 1 3.812 0.020 . 1 . . . . . 2 THR HB . 50623 1 13 . 1 . 1 2 2 THR HG21 H 1 0.669 0.020 . 1 . . . . . 2 THR HG21 . 50623 1 14 . 1 . 1 2 2 THR HG22 H 1 0.669 0.020 . 1 . . . . . 2 THR HG22 . 50623 1 15 . 1 . 1 2 2 THR HG23 H 1 0.669 0.020 . 1 . . . . . 2 THR HG23 . 50623 1 16 . 1 . 1 2 2 THR C C 13 169.406 0.400 . 1 . . . . . 2 THR C . 50623 1 17 . 1 . 1 2 2 THR CA C 13 63.374 0.400 . 1 . . . . . 2 THR CA . 50623 1 18 . 1 . 1 2 2 THR CB C 13 69.735 0.400 . 1 . . . . . 2 THR CB . 50623 1 19 . 1 . 1 2 2 THR CG2 C 13 21.688 0.400 . 1 . . . . . 2 THR CG2 . 50623 1 20 . 1 . 1 2 2 THR N N 15 123.338 0.400 . 1 . . . . . 2 THR N . 50623 1 21 . 1 . 1 3 3 GLU H H 1 8.324 0.020 . 1 . . . . . 3 GLU H . 50623 1 22 . 1 . 1 3 3 GLU HA H 1 5.271 0.020 . 1 . . . . . 3 GLU HA . 50623 1 23 . 1 . 1 3 3 GLU HB2 H 1 1.797 0.020 . 2 . . . . . 3 GLU HB2 . 50623 1 24 . 1 . 1 3 3 GLU HB3 H 1 1.861 0.020 . 2 . . . . . 3 GLU HB3 . 50623 1 25 . 1 . 1 3 3 GLU HG2 H 1 1.978 0.020 . 2 . . . . . 3 GLU HG2 . 50623 1 26 . 1 . 1 3 3 GLU HG3 H 1 2.191 0.020 . 2 . . . . . 3 GLU HG3 . 50623 1 27 . 1 . 1 3 3 GLU C C 13 172.477 0.400 . 1 . . . . . 3 GLU C . 50623 1 28 . 1 . 1 3 3 GLU CA C 13 54.133 0.400 . 1 . . . . . 3 GLU CA . 50623 1 29 . 1 . 1 3 3 GLU CB C 13 31.709 0.400 . 1 . . . . . 3 GLU CB . 50623 1 30 . 1 . 1 3 3 GLU CG C 13 36.339 0.400 . 1 . . . . . 3 GLU CG . 50623 1 31 . 1 . 1 3 3 GLU N N 15 127.138 0.400 . 1 . . . . . 3 GLU N . 50623 1 32 . 1 . 1 4 4 TYR H H 1 8.752 0.020 . 1 . . . . . 4 TYR H . 50623 1 33 . 1 . 1 4 4 TYR HA H 1 5.113 0.020 . 1 . . . . . 4 TYR HA . 50623 1 34 . 1 . 1 4 4 TYR HB2 H 1 2.609 0.020 . 2 . . . . . 4 TYR HB2 . 50623 1 35 . 1 . 1 4 4 TYR HB3 H 1 2.609 0.020 . 2 . . . . . 4 TYR HB3 . 50623 1 36 . 1 . 1 4 4 TYR HD1 H 1 6.857 0.020 . 1 . . . . . 4 TYR HD1 . 50623 1 37 . 1 . 1 4 4 TYR HE1 H 1 6.604 0.020 . 1 . . . . . 4 TYR HE1 . 50623 1 38 . 1 . 1 4 4 TYR C C 13 171.788 0.400 . 1 . . . . . 4 TYR C . 50623 1 39 . 1 . 1 4 4 TYR CA C 13 56.802 0.400 . 1 . . . . . 4 TYR CA . 50623 1 40 . 1 . 1 4 4 TYR CB C 13 41.721 0.400 . 1 . . . . . 4 TYR CB . 50623 1 41 . 1 . 1 4 4 TYR N N 15 122.206 0.400 . 1 . . . . . 4 TYR N . 50623 1 42 . 1 . 1 5 5 LYS H H 1 9.123 0.020 . 1 . . . . . 5 LYS H . 50623 1 43 . 1 . 1 5 5 LYS HA H 1 5.268 0.020 . 1 . . . . . 5 LYS HA . 50623 1 44 . 1 . 1 5 5 LYS HB2 H 1 1.840 0.020 . 2 . . . . . 5 LYS HB2 . 50623 1 45 . 1 . 1 5 5 LYS HB3 H 1 1.840 0.020 . 2 . . . . . 5 LYS HB3 . 50623 1 46 . 1 . 1 5 5 LYS HG2 H 1 1.453 0.020 . 2 . . . . . 5 LYS HG2 . 50623 1 47 . 1 . 1 5 5 LYS HG3 H 1 1.453 0.020 . 2 . . . . . 5 LYS HG3 . 50623 1 48 . 1 . 1 5 5 LYS HD2 H 1 1.423 0.020 . 2 . . . . . 5 LYS HD2 . 50623 1 49 . 1 . 1 5 5 LYS HD3 H 1 1.845 0.020 . 2 . . . . . 5 LYS HD3 . 50623 1 50 . 1 . 1 5 5 LYS HE2 H 1 2.683 0.020 . 2 . . . . . 5 LYS HE2 . 50623 1 51 . 1 . 1 5 5 LYS HE3 H 1 2.683 0.020 . 2 . . . . . 5 LYS HE3 . 50623 1 52 . 1 . 1 5 5 LYS C C 13 172.637 0.400 . 1 . . . . . 5 LYS C . 50623 1 53 . 1 . 1 5 5 LYS CA C 13 55.452 0.400 . 1 . . . . . 5 LYS CA . 50623 1 54 . 1 . 1 5 5 LYS CB C 13 32.966 0.400 . 1 . . . . . 5 LYS CB . 50623 1 55 . 1 . 1 5 5 LYS CG C 13 25.082 0.400 . 1 . . . . . 5 LYS CG . 50623 1 56 . 1 . 1 5 5 LYS CD C 13 29.179 0.400 . 1 . . . . . 5 LYS CD . 50623 1 57 . 1 . 1 5 5 LYS CE C 13 41.581 0.400 . 1 . . . . . 5 LYS CE . 50623 1 58 . 1 . 1 5 5 LYS N N 15 124.413 0.400 . 1 . . . . . 5 LYS N . 50623 1 59 . 1 . 1 6 6 LEU H H 1 9.524 0.020 . 1 . . . . . 6 LEU H . 50623 1 60 . 1 . 1 6 6 LEU HA H 1 5.085 0.020 . 1 . . . . . 6 LEU HA . 50623 1 61 . 1 . 1 6 6 LEU HB2 H 1 1.183 0.020 . 2 . . . . . 6 LEU HB2 . 50623 1 62 . 1 . 1 6 6 LEU HB3 H 1 1.183 0.020 . 2 . . . . . 6 LEU HB3 . 50623 1 63 . 1 . 1 6 6 LEU HG H 1 1.744 0.020 . 1 . . . . . 6 LEU HG . 50623 1 64 . 1 . 1 6 6 LEU HD11 H 1 0.662 0.020 . 2 . . . . . 6 LEU HD11 . 50623 1 65 . 1 . 1 6 6 LEU HD12 H 1 0.662 0.020 . 2 . . . . . 6 LEU HD12 . 50623 1 66 . 1 . 1 6 6 LEU HD13 H 1 0.662 0.020 . 2 . . . . . 6 LEU HD13 . 50623 1 67 . 1 . 1 6 6 LEU HD21 H 1 0.931 0.020 . 2 . . . . . 6 LEU HD21 . 50623 1 68 . 1 . 1 6 6 LEU HD22 H 1 0.931 0.020 . 2 . . . . . 6 LEU HD22 . 50623 1 69 . 1 . 1 6 6 LEU HD23 H 1 0.931 0.020 . 2 . . . . . 6 LEU HD23 . 50623 1 70 . 1 . 1 6 6 LEU C C 13 172.906 0.400 . 1 . . . . . 6 LEU C . 50623 1 71 . 1 . 1 6 6 LEU CA C 13 52.719 0.400 . 1 . . . . . 6 LEU CA . 50623 1 72 . 1 . 1 6 6 LEU CB C 13 44.231 0.400 . 1 . . . . . 6 LEU CB . 50623 1 73 . 1 . 1 6 6 LEU CG C 13 26.220 0.400 . 1 . . . . . 6 LEU CG . 50623 1 74 . 1 . 1 6 6 LEU CD1 C 13 24.518 0.400 . 2 . . . . . 6 LEU CD1 . 50623 1 75 . 1 . 1 6 6 LEU CD2 C 13 26.234 0.400 . 2 . . . . . 6 LEU CD2 . 50623 1 76 . 1 . 1 6 6 LEU N N 15 126.787 0.400 . 1 . . . . . 6 LEU N . 50623 1 77 . 1 . 1 7 7 VAL H H 1 7.900 0.020 . 1 . . . . . 7 VAL H . 50623 1 78 . 1 . 1 7 7 VAL HA H 1 4.682 0.020 . 1 . . . . . 7 VAL HA . 50623 1 79 . 1 . 1 7 7 VAL HB H 1 1.788 0.020 . 1 . . . . . 7 VAL HB . 50623 1 80 . 1 . 1 7 7 VAL HG11 H 1 0.695 0.020 . 2 . . . . . 7 VAL HG11 . 50623 1 81 . 1 . 1 7 7 VAL HG12 H 1 0.695 0.020 . 2 . . . . . 7 VAL HG12 . 50623 1 82 . 1 . 1 7 7 VAL HG13 H 1 0.695 0.020 . 2 . . . . . 7 VAL HG13 . 50623 1 83 . 1 . 1 7 7 VAL HG21 H 1 0.949 0.020 . 2 . . . . . 7 VAL HG21 . 50623 1 84 . 1 . 1 7 7 VAL HG22 H 1 0.949 0.020 . 2 . . . . . 7 VAL HG22 . 50623 1 85 . 1 . 1 7 7 VAL HG23 H 1 0.949 0.020 . 2 . . . . . 7 VAL HG23 . 50623 1 86 . 1 . 1 7 7 VAL C C 13 171.486 0.400 . 1 . . . . . 7 VAL C . 50623 1 87 . 1 . 1 7 7 VAL CA C 13 61.176 0.400 . 1 . . . . . 7 VAL CA . 50623 1 88 . 1 . 1 7 7 VAL CB C 13 34.264 0.400 . 1 . . . . . 7 VAL CB . 50623 1 89 . 1 . 1 7 7 VAL CG1 C 13 22.180 0.400 . 2 . . . . . 7 VAL CG1 . 50623 1 90 . 1 . 1 7 7 VAL CG2 C 13 22.180 0.400 . 2 . . . . . 7 VAL CG2 . 50623 1 91 . 1 . 1 7 7 VAL N N 15 120.536 0.400 . 1 . . . . . 7 VAL N . 50623 1 92 . 1 . 1 8 8 VAL H H 1 8.975 0.020 . 1 . . . . . 8 VAL H . 50623 1 93 . 1 . 1 8 8 VAL HA H 1 4.683 0.020 . 1 . . . . . 8 VAL HA . 50623 1 94 . 1 . 1 8 8 VAL HB H 1 2.365 0.020 . 1 . . . . . 8 VAL HB . 50623 1 95 . 1 . 1 8 8 VAL HG11 H 1 0.930 0.020 . 2 . . . . . 8 VAL HG11 . 50623 1 96 . 1 . 1 8 8 VAL HG12 H 1 0.930 0.020 . 2 . . . . . 8 VAL HG12 . 50623 1 97 . 1 . 1 8 8 VAL HG13 H 1 0.930 0.020 . 2 . . . . . 8 VAL HG13 . 50623 1 98 . 1 . 1 8 8 VAL HG21 H 1 0.930 0.020 . 2 . . . . . 8 VAL HG21 . 50623 1 99 . 1 . 1 8 8 VAL HG22 H 1 0.930 0.020 . 2 . . . . . 8 VAL HG22 . 50623 1 100 . 1 . 1 8 8 VAL HG23 H 1 0.930 0.020 . 2 . . . . . 8 VAL HG23 . 50623 1 101 . 1 . 1 8 8 VAL C C 13 172.772 0.400 . 1 . . . . . 8 VAL C . 50623 1 102 . 1 . 1 8 8 VAL CA C 13 62.233 0.400 . 1 . . . . . 8 VAL CA . 50623 1 103 . 1 . 1 8 8 VAL CB C 13 32.532 0.400 . 1 . . . . . 8 VAL CB . 50623 1 104 . 1 . 1 8 8 VAL CG1 C 13 20.463 0.400 . 2 . . . . . 8 VAL CG1 . 50623 1 105 . 1 . 1 8 8 VAL CG2 C 13 22.125 0.400 . 2 . . . . . 8 VAL CG2 . 50623 1 106 . 1 . 1 8 8 VAL N N 15 129.074 0.400 . 1 . . . . . 8 VAL N . 50623 1 107 . 1 . 1 9 9 VAL H H 1 9.153 0.020 . 1 . . . . . 9 VAL H . 50623 1 108 . 1 . 1 9 9 VAL HA H 1 4.548 0.020 . 1 . . . . . 9 VAL HA . 50623 1 109 . 1 . 1 9 9 VAL HB H 1 2.049 0.020 . 1 . . . . . 9 VAL HB . 50623 1 110 . 1 . 1 9 9 VAL HG11 H 1 0.972 0.020 . 2 . . . . . 9 VAL HG11 . 50623 1 111 . 1 . 1 9 9 VAL HG12 H 1 0.972 0.020 . 2 . . . . . 9 VAL HG12 . 50623 1 112 . 1 . 1 9 9 VAL HG13 H 1 0.972 0.020 . 2 . . . . . 9 VAL HG13 . 50623 1 113 . 1 . 1 9 9 VAL HG21 H 1 0.834 0.020 . 2 . . . . . 9 VAL HG21 . 50623 1 114 . 1 . 1 9 9 VAL HG22 H 1 0.834 0.020 . 2 . . . . . 9 VAL HG22 . 50623 1 115 . 1 . 1 9 9 VAL HG23 H 1 0.834 0.020 . 2 . . . . . 9 VAL HG23 . 50623 1 116 . 1 . 1 9 9 VAL C C 13 170.131 0.400 . 1 . . . . . 9 VAL C . 50623 1 117 . 1 . 1 9 9 VAL CA C 13 59.218 0.400 . 1 . . . . . 9 VAL CA . 50623 1 118 . 1 . 1 9 9 VAL CB C 13 35.490 0.400 . 1 . . . . . 9 VAL CB . 50623 1 119 . 1 . 1 9 9 VAL CG1 C 13 20.551 0.400 . 2 . . . . . 9 VAL CG1 . 50623 1 120 . 1 . 1 9 9 VAL CG2 C 13 22.215 0.400 . 2 . . . . . 9 VAL CG2 . 50623 1 121 . 1 . 1 9 9 VAL N N 15 120.610 0.400 . 1 . . . . . 9 VAL N . 50623 1 122 . 1 . 1 10 10 GLY H H 1 7.133 0.020 . 1 . . . . . 10 GLY H . 50623 1 123 . 1 . 1 10 10 GLY HA2 H 1 2.957 0.020 . 2 . . . . . 10 GLY HA2 . 50623 1 124 . 1 . 1 10 10 GLY HA3 H 1 4.632 0.020 . 2 . . . . . 10 GLY HA3 . 50623 1 125 . 1 . 1 10 10 GLY C C 13 169.985 0.400 . 1 . . . . . 10 GLY C . 50623 1 126 . 1 . 1 10 10 GLY CA C 13 43.812 0.400 . 1 . . . . . 10 GLY CA . 50623 1 127 . 1 . 1 10 10 GLY N N 15 107.684 0.400 . 1 . . . . . 10 GLY N . 50623 1 128 . 1 . 1 11 11 ALA H H 1 9.173 0.020 . 1 . . . . . 11 ALA H . 50623 1 129 . 1 . 1 11 11 ALA HA H 1 4.443 0.020 . 1 . . . . . 11 ALA HA . 50623 1 130 . 1 . 1 11 11 ALA HB1 H 1 1.592 0.020 . 1 . . . . . 11 ALA HB1 . 50623 1 131 . 1 . 1 11 11 ALA HB2 H 1 1.592 0.020 . 1 . . . . . 11 ALA HB2 . 50623 1 132 . 1 . 1 11 11 ALA HB3 H 1 1.592 0.020 . 1 . . . . . 11 ALA HB3 . 50623 1 133 . 1 . 1 11 11 ALA C C 13 174.670 0.400 . 1 . . . . . 11 ALA C . 50623 1 134 . 1 . 1 11 11 ALA CA C 13 52.589 0.400 . 1 . . . . . 11 ALA CA . 50623 1 135 . 1 . 1 11 11 ALA CB C 13 19.306 0.400 . 1 . . . . . 11 ALA CB . 50623 1 136 . 1 . 1 11 11 ALA N N 15 123.791 0.400 . 1 . . . . . 11 ALA N . 50623 1 137 . 1 . 1 12 12 GLY H H 1 8.602 0.020 . 1 . . . . . 12 GLY H . 50623 1 138 . 1 . 1 12 12 GLY HA2 H 1 3.779 0.020 . 2 . . . . . 12 GLY HA2 . 50623 1 139 . 1 . 1 12 12 GLY HA3 H 1 4.045 0.020 . 2 . . . . . 12 GLY HA3 . 50623 1 140 . 1 . 1 12 12 GLY C C 13 173.241 0.400 . 1 . . . . . 12 GLY C . 50623 1 141 . 1 . 1 12 12 GLY CA C 13 46.995 0.400 . 1 . . . . . 12 GLY CA . 50623 1 142 . 1 . 1 12 12 GLY N N 15 106.515 0.400 . 1 . . . . . 12 GLY N . 50623 1 143 . 1 . 1 13 13 GLY H H 1 10.527 0.020 . 1 . . . . . 13 GLY H . 50623 1 144 . 1 . 1 13 13 GLY HA2 H 1 4.214 0.020 . 2 . . . . . 13 GLY HA2 . 50623 1 145 . 1 . 1 13 13 GLY HA3 H 1 3.977 0.020 . 2 . . . . . 13 GLY HA3 . 50623 1 146 . 1 . 1 13 13 GLY C C 13 172.561 0.400 . 1 . . . . . 13 GLY C . 50623 1 147 . 1 . 1 13 13 GLY CA C 13 46.347 0.400 . 1 . . . . . 13 GLY CA . 50623 1 148 . 1 . 1 13 13 GLY N N 15 115.258 0.400 . 1 . . . . . 13 GLY N . 50623 1 149 . 1 . 1 14 14 VAL H H 1 7.664 0.020 . 1 . . . . . 14 VAL H . 50623 1 150 . 1 . 1 14 14 VAL HA H 1 4.077 0.020 . 1 . . . . . 14 VAL HA . 50623 1 151 . 1 . 1 14 14 VAL HB H 1 2.054 0.020 . 1 . . . . . 14 VAL HB . 50623 1 152 . 1 . 1 14 14 VAL HG11 H 1 0.959 0.020 . 2 . . . . . 14 VAL HG11 . 50623 1 153 . 1 . 1 14 14 VAL HG12 H 1 0.959 0.020 . 2 . . . . . 14 VAL HG12 . 50623 1 154 . 1 . 1 14 14 VAL HG13 H 1 0.959 0.020 . 2 . . . . . 14 VAL HG13 . 50623 1 155 . 1 . 1 14 14 VAL HG21 H 1 1.148 0.020 . 2 . . . . . 14 VAL HG21 . 50623 1 156 . 1 . 1 14 14 VAL HG22 H 1 1.148 0.020 . 2 . . . . . 14 VAL HG22 . 50623 1 157 . 1 . 1 14 14 VAL HG23 H 1 1.148 0.020 . 2 . . . . . 14 VAL HG23 . 50623 1 158 . 1 . 1 14 14 VAL C C 13 171.784 0.400 . 1 . . . . . 14 VAL C . 50623 1 159 . 1 . 1 14 14 VAL CA C 13 62.749 0.400 . 1 . . . . . 14 VAL CA . 50623 1 160 . 1 . 1 14 14 VAL CB C 13 32.178 0.400 . 1 . . . . . 14 VAL CB . 50623 1 161 . 1 . 1 14 14 VAL CG1 C 13 17.937 0.400 . 2 . . . . . 14 VAL CG1 . 50623 1 162 . 1 . 1 14 14 VAL CG2 C 13 22.250 0.400 . 2 . . . . . 14 VAL CG2 . 50623 1 163 . 1 . 1 14 14 VAL N N 15 113.393 0.400 . 1 . . . . . 14 VAL N . 50623 1 164 . 1 . 1 15 15 GLY H H 1 8.588 0.020 . 1 . . . . . 15 GLY H . 50623 1 165 . 1 . 1 15 15 GLY HA2 H 1 4.247 0.020 . 2 . . . . . 15 GLY HA2 . 50623 1 166 . 1 . 1 15 15 GLY HA3 H 1 4.682 0.020 . 2 . . . . . 15 GLY HA3 . 50623 1 167 . 1 . 1 15 15 GLY C C 13 171.172 0.400 . 1 . . . . . 15 GLY C . 50623 1 168 . 1 . 1 15 15 GLY CA C 13 46.108 0.400 . 1 . . . . . 15 GLY CA . 50623 1 169 . 1 . 1 15 15 GLY N N 15 109.711 0.400 . 1 . . . . . 15 GLY N . 50623 1 170 . 1 . 1 16 16 LYS H H 1 10.589 0.020 . 1 . . . . . 16 LYS H . 50623 1 171 . 1 . 1 16 16 LYS HA H 1 3.505 0.020 . 1 . . . . . 16 LYS HA . 50623 1 172 . 1 . 1 16 16 LYS HB2 H 1 1.657 0.020 . 2 . . . . . 16 LYS HB2 . 50623 1 173 . 1 . 1 16 16 LYS HB3 H 1 2.434 0.020 . 2 . . . . . 16 LYS HB3 . 50623 1 174 . 1 . 1 16 16 LYS C C 13 177.007 0.400 . 1 . . . . . 16 LYS C . 50623 1 175 . 1 . 1 16 16 LYS CA C 13 61.202 0.400 . 1 . . . . . 16 LYS CA . 50623 1 176 . 1 . 1 16 16 LYS CB C 13 29.688 0.400 . 1 . . . . . 16 LYS CB . 50623 1 177 . 1 . 1 16 16 LYS CG C 13 23.467 0.400 . 1 . . . . . 16 LYS CG . 50623 1 178 . 1 . 1 16 16 LYS CE C 13 42.691 0.400 . 1 . . . . . 16 LYS CE . 50623 1 179 . 1 . 1 16 16 LYS N N 15 125.465 0.400 . 1 . . . . . 16 LYS N . 50623 1 180 . 1 . 1 17 17 SER H H 1 9.336 0.020 . 1 . . . . . 17 SER H . 50623 1 181 . 1 . 1 17 17 SER HA H 1 4.217 0.020 . 1 . . . . . 17 SER HA . 50623 1 182 . 1 . 1 17 17 SER HB2 H 1 3.330 0.020 . 2 . . . . . 17 SER HB2 . 50623 1 183 . 1 . 1 17 17 SER HB3 H 1 3.330 0.020 . 2 . . . . . 17 SER HB3 . 50623 1 184 . 1 . 1 17 17 SER C C 13 173.057 0.400 . 1 . . . . . 17 SER C . 50623 1 185 . 1 . 1 17 17 SER CA C 13 61.299 0.400 . 1 . . . . . 17 SER CA . 50623 1 186 . 1 . 1 17 17 SER CB C 13 61.372 0.400 . 1 . . . . . 17 SER CB . 50623 1 187 . 1 . 1 17 17 SER N N 15 120.526 0.400 . 1 . . . . . 17 SER N . 50623 1 188 . 1 . 1 18 18 ALA H H 1 9.516 0.020 . 1 . . . . . 18 ALA H . 50623 1 189 . 1 . 1 18 18 ALA HA H 1 3.838 0.020 . 1 . . . . . 18 ALA HA . 50623 1 190 . 1 . 1 18 18 ALA HB1 H 1 1.357 0.020 . 1 . . . . . 18 ALA HB1 . 50623 1 191 . 1 . 1 18 18 ALA HB2 H 1 1.357 0.020 . 1 . . . . . 18 ALA HB2 . 50623 1 192 . 1 . 1 18 18 ALA HB3 H 1 1.357 0.020 . 1 . . . . . 18 ALA HB3 . 50623 1 193 . 1 . 1 18 18 ALA C C 13 179.376 0.400 . 1 . . . . . 18 ALA C . 50623 1 194 . 1 . 1 18 18 ALA CA C 13 54.414 0.400 . 1 . . . . . 18 ALA CA . 50623 1 195 . 1 . 1 18 18 ALA CB C 13 18.554 0.400 . 1 . . . . . 18 ALA CB . 50623 1 196 . 1 . 1 18 18 ALA N N 15 125.538 0.400 . 1 . . . . . 18 ALA N . 50623 1 197 . 1 . 1 19 19 LEU H H 1 9.025 0.020 . 1 . . . . . 19 LEU H . 50623 1 198 . 1 . 1 19 19 LEU HA H 1 3.832 0.020 . 1 . . . . . 19 LEU HA . 50623 1 199 . 1 . 1 19 19 LEU HB2 H 1 1.266 0.020 . 2 . . . . . 19 LEU HB2 . 50623 1 200 . 1 . 1 19 19 LEU HB3 H 1 2.197 0.020 . 2 . . . . . 19 LEU HB3 . 50623 1 201 . 1 . 1 19 19 LEU HG H 1 1.876 0.020 . 1 . . . . . 19 LEU HG . 50623 1 202 . 1 . 1 19 19 LEU HD11 H 1 0.605 0.020 . 2 . . . . . 19 LEU HD11 . 50623 1 203 . 1 . 1 19 19 LEU HD12 H 1 0.605 0.020 . 2 . . . . . 19 LEU HD12 . 50623 1 204 . 1 . 1 19 19 LEU HD13 H 1 0.605 0.020 . 2 . . . . . 19 LEU HD13 . 50623 1 205 . 1 . 1 19 19 LEU HD21 H 1 0.747 0.020 . 2 . . . . . 19 LEU HD21 . 50623 1 206 . 1 . 1 19 19 LEU HD22 H 1 0.747 0.020 . 2 . . . . . 19 LEU HD22 . 50623 1 207 . 1 . 1 19 19 LEU HD23 H 1 0.747 0.020 . 2 . . . . . 19 LEU HD23 . 50623 1 208 . 1 . 1 19 19 LEU C C 13 174.961 0.400 . 1 . . . . . 19 LEU C . 50623 1 209 . 1 . 1 19 19 LEU CA C 13 58.834 0.400 . 1 . . . . . 19 LEU CA . 50623 1 210 . 1 . 1 19 19 LEU CB C 13 43.215 0.400 . 1 . . . . . 19 LEU CB . 50623 1 211 . 1 . 1 19 19 LEU CG C 13 26.634 0.400 . 1 . . . . . 19 LEU CG . 50623 1 212 . 1 . 1 19 19 LEU CD1 C 13 24.794 0.400 . 2 . . . . . 19 LEU CD1 . 50623 1 213 . 1 . 1 19 19 LEU CD2 C 13 26.634 0.400 . 2 . . . . . 19 LEU CD2 . 50623 1 214 . 1 . 1 19 19 LEU N N 15 120.463 0.400 . 1 . . . . . 19 LEU N . 50623 1 215 . 1 . 1 20 20 THR H H 1 7.686 0.020 . 1 . . . . . 20 THR H . 50623 1 216 . 1 . 1 20 20 THR HA H 1 3.958 0.020 . 1 . . . . . 20 THR HA . 50623 1 217 . 1 . 1 20 20 THR HB H 1 3.356 0.020 . 1 . . . . . 20 THR HB . 50623 1 218 . 1 . 1 20 20 THR HG21 H 1 0.622 0.020 . 1 . . . . . 20 THR HG21 . 50623 1 219 . 1 . 1 20 20 THR HG22 H 1 0.622 0.020 . 1 . . . . . 20 THR HG22 . 50623 1 220 . 1 . 1 20 20 THR HG23 H 1 0.622 0.020 . 1 . . . . . 20 THR HG23 . 50623 1 221 . 1 . 1 20 20 THR C C 13 173.210 0.400 . 1 . . . . . 20 THR C . 50623 1 222 . 1 . 1 20 20 THR CA C 13 68.344 0.400 . 1 . . . . . 20 THR CA . 50623 1 223 . 1 . 1 20 20 THR CB C 13 67.956 0.400 . 1 . . . . . 20 THR CB . 50623 1 224 . 1 . 1 20 20 THR CG2 C 13 22.355 0.400 . 1 . . . . . 20 THR CG2 . 50623 1 225 . 1 . 1 20 20 THR N N 15 117.021 0.400 . 1 . . . . . 20 THR N . 50623 1 226 . 1 . 1 21 21 ILE H H 1 8.907 0.020 . 1 . . . . . 21 ILE H . 50623 1 227 . 1 . 1 21 21 ILE HA H 1 3.136 0.020 . 1 . . . . . 21 ILE HA . 50623 1 228 . 1 . 1 21 21 ILE HB H 1 2.026 0.020 . 1 . . . . . 21 ILE HB . 50623 1 229 . 1 . 1 21 21 ILE HG12 H 1 1.015 0.020 . 2 . . . . . 21 ILE HG12 . 50623 1 230 . 1 . 1 21 21 ILE HG13 H 1 1.015 0.020 . 2 . . . . . 21 ILE HG13 . 50623 1 231 . 1 . 1 21 21 ILE HG21 H 1 0.540 0.020 . 1 . . . . . 21 ILE HG21 . 50623 1 232 . 1 . 1 21 21 ILE HG22 H 1 0.540 0.020 . 1 . . . . . 21 ILE HG22 . 50623 1 233 . 1 . 1 21 21 ILE HG23 H 1 0.540 0.020 . 1 . . . . . 21 ILE HG23 . 50623 1 234 . 1 . 1 21 21 ILE HD11 H 1 0.540 0.020 . 1 . . . . . 21 ILE HD11 . 50623 1 235 . 1 . 1 21 21 ILE HD12 H 1 0.540 0.020 . 1 . . . . . 21 ILE HD12 . 50623 1 236 . 1 . 1 21 21 ILE HD13 H 1 0.540 0.020 . 1 . . . . . 21 ILE HD13 . 50623 1 237 . 1 . 1 21 21 ILE C C 13 176.480 0.400 . 1 . . . . . 21 ILE C . 50623 1 238 . 1 . 1 21 21 ILE CA C 13 64.666 0.400 . 1 . . . . . 21 ILE CA . 50623 1 239 . 1 . 1 21 21 ILE CB C 13 36.150 0.400 . 1 . . . . . 21 ILE CB . 50623 1 240 . 1 . 1 21 21 ILE CG1 C 13 26.951 0.400 . 1 . . . . . 21 ILE CG1 . 50623 1 241 . 1 . 1 21 21 ILE CG2 C 13 17.546 0.400 . 1 . . . . . 21 ILE CG2 . 50623 1 242 . 1 . 1 21 21 ILE CD1 C 13 11.330 0.400 . 1 . . . . . 21 ILE CD1 . 50623 1 243 . 1 . 1 21 21 ILE N N 15 120.741 0.400 . 1 . . . . . 21 ILE N . 50623 1 244 . 1 . 1 22 22 GLN H H 1 7.850 0.020 . 1 . . . . . 22 GLN H . 50623 1 245 . 1 . 1 22 22 GLN HA H 1 4.281 0.020 . 1 . . . . . 22 GLN HA . 50623 1 246 . 1 . 1 22 22 GLN HB2 H 1 1.959 0.020 . 2 . . . . . 22 GLN HB2 . 50623 1 247 . 1 . 1 22 22 GLN HB3 H 1 2.307 0.020 . 2 . . . . . 22 GLN HB3 . 50623 1 248 . 1 . 1 22 22 GLN HG2 H 1 2.411 0.020 . 2 . . . . . 22 GLN HG2 . 50623 1 249 . 1 . 1 22 22 GLN HG3 H 1 2.411 0.020 . 2 . . . . . 22 GLN HG3 . 50623 1 250 . 1 . 1 22 22 GLN C C 13 176.618 0.400 . 1 . . . . . 22 GLN C . 50623 1 251 . 1 . 1 22 22 GLN CA C 13 59.167 0.400 . 1 . . . . . 22 GLN CA . 50623 1 252 . 1 . 1 22 22 GLN CB C 13 29.483 0.400 . 1 . . . . . 22 GLN CB . 50623 1 253 . 1 . 1 22 22 GLN CG C 13 33.347 0.400 . 1 . . . . . 22 GLN CG . 50623 1 254 . 1 . 1 22 22 GLN N N 15 120.957 0.400 . 1 . . . . . 22 GLN N . 50623 1 255 . 1 . 1 23 23 LEU H H 1 7.634 0.020 . 1 . . . . . 23 LEU H . 50623 1 256 . 1 . 1 23 23 LEU HA H 1 3.693 0.020 . 1 . . . . . 23 LEU HA . 50623 1 257 . 1 . 1 23 23 LEU HB2 H 1 0.904 0.020 . 2 . . . . . 23 LEU HB2 . 50623 1 258 . 1 . 1 23 23 LEU HB3 H 1 1.526 0.020 . 2 . . . . . 23 LEU HB3 . 50623 1 259 . 1 . 1 23 23 LEU HD11 H 1 0.577 0.020 . 2 . . . . . 23 LEU HD11 . 50623 1 260 . 1 . 1 23 23 LEU HD12 H 1 0.577 0.020 . 2 . . . . . 23 LEU HD12 . 50623 1 261 . 1 . 1 23 23 LEU HD13 H 1 0.577 0.020 . 2 . . . . . 23 LEU HD13 . 50623 1 262 . 1 . 1 23 23 LEU HD21 H 1 -0.250 0.020 . 2 . . . . . 23 LEU HD21 . 50623 1 263 . 1 . 1 23 23 LEU HD22 H 1 -0.250 0.020 . 2 . . . . . 23 LEU HD22 . 50623 1 264 . 1 . 1 23 23 LEU HD23 H 1 -0.250 0.020 . 2 . . . . . 23 LEU HD23 . 50623 1 265 . 1 . 1 23 23 LEU C C 13 175.605 0.400 . 1 . . . . . 23 LEU C . 50623 1 266 . 1 . 1 23 23 LEU CA C 13 58.070 0.400 . 1 . . . . . 23 LEU CA . 50623 1 267 . 1 . 1 23 23 LEU CB C 13 40.889 0.400 . 1 . . . . . 23 LEU CB . 50623 1 268 . 1 . 1 23 23 LEU CG C 13 26.285 0.400 . 1 . . . . . 23 LEU CG . 50623 1 269 . 1 . 1 23 23 LEU CD1 C 13 22.932 0.400 . 2 . . . . . 23 LEU CD1 . 50623 1 270 . 1 . 1 23 23 LEU CD2 C 13 24.276 0.400 . 2 . . . . . 23 LEU CD2 . 50623 1 271 . 1 . 1 23 23 LEU N N 15 120.849 0.400 . 1 . . . . . 23 LEU N . 50623 1 272 . 1 . 1 24 24 ILE H H 1 8.040 0.020 . 1 . . . . . 24 ILE H . 50623 1 273 . 1 . 1 24 24 ILE HA H 1 3.626 0.020 . 1 . . . . . 24 ILE HA . 50623 1 274 . 1 . 1 24 24 ILE HB H 1 1.703 0.020 . 1 . . . . . 24 ILE HB . 50623 1 275 . 1 . 1 24 24 ILE HG12 H 1 1.516 0.020 . 2 . . . . . 24 ILE HG12 . 50623 1 276 . 1 . 1 24 24 ILE HG13 H 1 1.516 0.020 . 2 . . . . . 24 ILE HG13 . 50623 1 277 . 1 . 1 24 24 ILE HG21 H 1 0.924 0.020 . 1 . . . . . 24 ILE HG21 . 50623 1 278 . 1 . 1 24 24 ILE HG22 H 1 0.924 0.020 . 1 . . . . . 24 ILE HG22 . 50623 1 279 . 1 . 1 24 24 ILE HG23 H 1 0.924 0.020 . 1 . . . . . 24 ILE HG23 . 50623 1 280 . 1 . 1 24 24 ILE HD11 H 1 0.452 0.020 . 1 . . . . . 24 ILE HD11 . 50623 1 281 . 1 . 1 24 24 ILE HD12 H 1 0.452 0.020 . 1 . . . . . 24 ILE HD12 . 50623 1 282 . 1 . 1 24 24 ILE HD13 H 1 0.452 0.020 . 1 . . . . . 24 ILE HD13 . 50623 1 283 . 1 . 1 24 24 ILE C C 13 174.903 0.400 . 1 . . . . . 24 ILE C . 50623 1 284 . 1 . 1 24 24 ILE CA C 13 62.223 0.400 . 1 . . . . . 24 ILE CA . 50623 1 285 . 1 . 1 24 24 ILE CB C 13 37.367 0.400 . 1 . . . . . 24 ILE CB . 50623 1 286 . 1 . 1 24 24 ILE CG1 C 13 26.234 0.400 . 1 . . . . . 24 ILE CG1 . 50623 1 287 . 1 . 1 24 24 ILE CG2 C 13 17.635 0.400 . 1 . . . . . 24 ILE CG2 . 50623 1 288 . 1 . 1 24 24 ILE CD1 C 13 10.984 0.400 . 1 . . . . . 24 ILE CD1 . 50623 1 289 . 1 . 1 24 24 ILE N N 15 114.119 0.400 . 1 . . . . . 24 ILE N . 50623 1 290 . 1 . 1 25 25 GLN H H 1 8.962 0.020 . 1 . . . . . 25 GLN H . 50623 1 291 . 1 . 1 25 25 GLN HA H 1 4.536 0.020 . 1 . . . . . 25 GLN HA . 50623 1 292 . 1 . 1 25 25 GLN HB2 H 1 1.787 0.020 . 2 . . . . . 25 GLN HB2 . 50623 1 293 . 1 . 1 25 25 GLN HB3 H 1 2.191 0.020 . 2 . . . . . 25 GLN HB3 . 50623 1 294 . 1 . 1 25 25 GLN HG2 H 1 2.391 0.020 . 2 . . . . . 25 GLN HG2 . 50623 1 295 . 1 . 1 25 25 GLN HG3 H 1 2.391 0.020 . 2 . . . . . 25 GLN HG3 . 50623 1 296 . 1 . 1 25 25 GLN HE21 H 1 6.893 0.020 . 2 . . . . . 25 GLN HE21 . 50623 1 297 . 1 . 1 25 25 GLN HE22 H 1 7.418 0.020 . 2 . . . . . 25 GLN HE22 . 50623 1 298 . 1 . 1 25 25 GLN C C 13 174.971 0.400 . 1 . . . . . 25 GLN C . 50623 1 299 . 1 . 1 25 25 GLN CA C 13 55.293 0.400 . 1 . . . . . 25 GLN CA . 50623 1 300 . 1 . 1 25 25 GLN CB C 13 30.270 0.400 . 1 . . . . . 25 GLN CB . 50623 1 301 . 1 . 1 25 25 GLN CG C 13 33.866 0.400 . 1 . . . . . 25 GLN CG . 50623 1 302 . 1 . 1 25 25 GLN N N 15 115.919 0.400 . 1 . . . . . 25 GLN N . 50623 1 303 . 1 . 1 25 25 GLN NE2 N 15 110.526 0.400 . 1 . . . . . 25 GLN NE2 . 50623 1 304 . 1 . 1 26 26 ASN H H 1 7.971 0.020 . 1 . . . . . 26 ASN H . 50623 1 305 . 1 . 1 26 26 ASN HA H 1 4.780 0.020 . 1 . . . . . 26 ASN HA . 50623 1 306 . 1 . 1 26 26 ASN HB2 H 1 2.748 0.020 . 2 . . . . . 26 ASN HB2 . 50623 1 307 . 1 . 1 26 26 ASN HB3 H 1 3.066 0.020 . 2 . . . . . 26 ASN HB3 . 50623 1 308 . 1 . 1 26 26 ASN HD21 H 1 6.704 0.020 . 2 . . . . . 26 ASN HD21 . 50623 1 309 . 1 . 1 26 26 ASN HD22 H 1 7.417 0.020 . 2 . . . . . 26 ASN HD22 . 50623 1 310 . 1 . 1 26 26 ASN C C 13 171.558 0.400 . 1 . . . . . 26 ASN C . 50623 1 311 . 1 . 1 26 26 ASN CA C 13 54.507 0.400 . 1 . . . . . 26 ASN CA . 50623 1 312 . 1 . 1 26 26 ASN CB C 13 37.251 0.400 . 1 . . . . . 26 ASN CB . 50623 1 313 . 1 . 1 26 26 ASN N N 15 116.456 0.400 . 1 . . . . . 26 ASN N . 50623 1 314 . 1 . 1 26 26 ASN ND2 N 15 112.149 0.400 . 1 . . . . . 26 ASN ND2 . 50623 1 315 . 1 . 1 27 27 HIS H H 1 6.726 0.020 . 1 . . . . . 27 HIS H . 50623 1 316 . 1 . 1 27 27 HIS HA H 1 4.794 0.020 . 1 . . . . . 27 HIS HA . 50623 1 317 . 1 . 1 27 27 HIS HB2 H 1 3.061 0.020 . 2 . . . . . 27 HIS HB2 . 50623 1 318 . 1 . 1 27 27 HIS HB3 H 1 3.061 0.020 . 2 . . . . . 27 HIS HB3 . 50623 1 319 . 1 . 1 27 27 HIS C C 13 169.804 0.400 . 1 . . . . . 27 HIS C . 50623 1 320 . 1 . 1 27 27 HIS CA C 13 54.296 0.400 . 1 . . . . . 27 HIS CA . 50623 1 321 . 1 . 1 27 27 HIS CB C 13 31.723 0.400 . 1 . . . . . 27 HIS CB . 50623 1 322 . 1 . 1 27 27 HIS N N 15 110.254 0.400 . 1 . . . . . 27 HIS N . 50623 1 323 . 1 . 1 28 28 PHE H H 1 8.675 0.020 . 1 . . . . . 28 PHE H . 50623 1 324 . 1 . 1 28 28 PHE HA H 1 5.034 0.020 . 1 . . . . . 28 PHE HA . 50623 1 325 . 1 . 1 28 28 PHE HB2 H 1 2.773 0.020 . 2 . . . . . 28 PHE HB2 . 50623 1 326 . 1 . 1 28 28 PHE HB3 H 1 2.998 0.020 . 2 . . . . . 28 PHE HB3 . 50623 1 327 . 1 . 1 28 28 PHE HD1 H 1 6.889 0.020 . 1 . . . . . 28 PHE HD1 . 50623 1 328 . 1 . 1 28 28 PHE HD2 H 1 6.889 0.020 . 1 . . . . . 28 PHE HD2 . 50623 1 329 . 1 . 1 28 28 PHE C C 13 172.062 0.400 . 1 . . . . . 28 PHE C . 50623 1 330 . 1 . 1 28 28 PHE CA C 13 55.417 0.400 . 1 . . . . . 28 PHE CA . 50623 1 331 . 1 . 1 28 28 PHE CB C 13 39.919 0.400 . 1 . . . . . 28 PHE CB . 50623 1 332 . 1 . 1 28 28 PHE N N 15 122.568 0.400 . 1 . . . . . 28 PHE N . 50623 1 333 . 1 . 1 29 29 VAL H H 1 7.613 0.020 . 1 . . . . . 29 VAL H . 50623 1 334 . 1 . 1 29 29 VAL HA H 1 3.981 0.020 . 1 . . . . . 29 VAL HA . 50623 1 335 . 1 . 1 29 29 VAL HB H 1 1.768 0.020 . 1 . . . . . 29 VAL HB . 50623 1 336 . 1 . 1 29 29 VAL HG11 H 1 0.600 0.020 . 2 . . . . . 29 VAL HG11 . 50623 1 337 . 1 . 1 29 29 VAL HG12 H 1 0.600 0.020 . 2 . . . . . 29 VAL HG12 . 50623 1 338 . 1 . 1 29 29 VAL HG13 H 1 0.600 0.020 . 2 . . . . . 29 VAL HG13 . 50623 1 339 . 1 . 1 29 29 VAL HG21 H 1 0.722 0.020 . 2 . . . . . 29 VAL HG21 . 50623 1 340 . 1 . 1 29 29 VAL HG22 H 1 0.722 0.020 . 2 . . . . . 29 VAL HG22 . 50623 1 341 . 1 . 1 29 29 VAL HG23 H 1 0.722 0.020 . 2 . . . . . 29 VAL HG23 . 50623 1 342 . 1 . 1 29 29 VAL C C 13 170.675 0.400 . 1 . . . . . 29 VAL C . 50623 1 343 . 1 . 1 29 29 VAL CA C 13 60.043 0.400 . 1 . . . . . 29 VAL CA . 50623 1 344 . 1 . 1 29 29 VAL CB C 13 32.623 0.400 . 1 . . . . . 29 VAL CB . 50623 1 345 . 1 . 1 29 29 VAL CG1 C 13 19.258 0.400 . 2 . . . . . 29 VAL CG1 . 50623 1 346 . 1 . 1 29 29 VAL CG2 C 13 21.931 0.400 . 2 . . . . . 29 VAL CG2 . 50623 1 347 . 1 . 1 29 29 VAL N N 15 126.084 0.400 . 1 . . . . . 29 VAL N . 50623 1 348 . 1 . 1 30 30 ASP H H 1 7.800 0.020 . 1 . . . . . 30 ASP H . 50623 1 349 . 1 . 1 30 30 ASP HA H 1 3.971 0.020 . 1 . . . . . 30 ASP HA . 50623 1 350 . 1 . 1 30 30 ASP HB2 H 1 2.428 0.020 . 2 . . . . . 30 ASP HB2 . 50623 1 351 . 1 . 1 30 30 ASP HB3 H 1 2.428 0.020 . 2 . . . . . 30 ASP HB3 . 50623 1 352 . 1 . 1 30 30 ASP C C 13 173.506 0.400 . 1 . . . . . 30 ASP C . 50623 1 353 . 1 . 1 30 30 ASP CA C 13 54.565 0.400 . 1 . . . . . 30 ASP CA . 50623 1 354 . 1 . 1 30 30 ASP CB C 13 41.526 0.400 . 1 . . . . . 30 ASP CB . 50623 1 355 . 1 . 1 30 30 ASP N N 15 122.427 0.400 . 1 . . . . . 30 ASP N . 50623 1 356 . 1 . 1 31 31 GLU H H 1 7.663 0.020 . 1 . . . . . 31 GLU H . 50623 1 357 . 1 . 1 31 31 GLU HA H 1 4.358 0.020 . 1 . . . . . 31 GLU HA . 50623 1 358 . 1 . 1 31 31 GLU HB2 H 1 1.796 0.020 . 2 . . . . . 31 GLU HB2 . 50623 1 359 . 1 . 1 31 31 GLU HB3 H 1 1.935 0.020 . 2 . . . . . 31 GLU HB3 . 50623 1 360 . 1 . 1 31 31 GLU HG2 H 1 2.098 0.020 . 2 . . . . . 31 GLU HG2 . 50623 1 361 . 1 . 1 31 31 GLU HG3 H 1 2.098 0.020 . 2 . . . . . 31 GLU HG3 . 50623 1 362 . 1 . 1 31 31 GLU C C 13 171.672 0.400 . 1 . . . . . 31 GLU C . 50623 1 363 . 1 . 1 31 31 GLU CA C 13 55.593 0.400 . 1 . . . . . 31 GLU CA . 50623 1 364 . 1 . 1 31 31 GLU CB C 13 30.678 0.400 . 1 . . . . . 31 GLU CB . 50623 1 365 . 1 . 1 31 31 GLU CG C 13 35.834 0.400 . 1 . . . . . 31 GLU CG . 50623 1 366 . 1 . 1 31 31 GLU N N 15 119.115 0.400 . 1 . . . . . 31 GLU N . 50623 1 367 . 1 . 1 32 32 TYR H H 1 8.784 0.020 . 1 . . . . . 32 TYR H . 50623 1 368 . 1 . 1 32 32 TYR HA H 1 4.267 0.020 . 1 . . . . . 32 TYR HA . 50623 1 369 . 1 . 1 32 32 TYR HB2 H 1 2.685 0.020 . 2 . . . . . 32 TYR HB2 . 50623 1 370 . 1 . 1 32 32 TYR HB3 H 1 2.685 0.020 . 2 . . . . . 32 TYR HB3 . 50623 1 371 . 1 . 1 32 32 TYR HD1 H 1 7.081 0.020 . 1 . . . . . 32 TYR HD1 . 50623 1 372 . 1 . 1 32 32 TYR HD2 H 1 7.081 0.020 . 1 . . . . . 32 TYR HD2 . 50623 1 373 . 1 . 1 32 32 TYR HE1 H 1 6.796 0.020 . 1 . . . . . 32 TYR HE1 . 50623 1 374 . 1 . 1 32 32 TYR HE2 H 1 6.796 0.020 . 1 . . . . . 32 TYR HE2 . 50623 1 375 . 1 . 1 32 32 TYR C C 13 172.544 0.400 . 1 . . . . . 32 TYR C . 50623 1 376 . 1 . 1 32 32 TYR CA C 13 58.808 0.400 . 1 . . . . . 32 TYR CA . 50623 1 377 . 1 . 1 32 32 TYR CB C 13 39.869 0.400 . 1 . . . . . 32 TYR CB . 50623 1 378 . 1 . 1 32 32 TYR N N 15 125.574 0.400 . 1 . . . . . 32 TYR N . 50623 1 379 . 1 . 1 33 33 ASP H H 1 7.842 0.020 . 1 . . . . . 33 ASP H . 50623 1 380 . 1 . 1 33 33 ASP HA H 1 4.560 0.020 . 1 . . . . . 33 ASP HA . 50623 1 381 . 1 . 1 33 33 ASP HB2 H 1 2.469 0.020 . 2 . . . . . 33 ASP HB2 . 50623 1 382 . 1 . 1 33 33 ASP HB3 H 1 2.469 0.020 . 2 . . . . . 33 ASP HB3 . 50623 1 383 . 1 . 1 33 33 ASP CA C 13 52.532 0.400 . 1 . . . . . 33 ASP CA . 50623 1 384 . 1 . 1 33 33 ASP CB C 13 41.680 0.400 . 1 . . . . . 33 ASP CB . 50623 1 385 . 1 . 1 33 33 ASP N N 15 128.778 0.400 . 1 . . . . . 33 ASP N . 50623 1 386 . 1 . 1 34 34 PRO HA H 1 4.812 0.020 . 1 . . . . . 34 PRO HA . 50623 1 387 . 1 . 1 34 34 PRO HB2 H 1 2.013 0.020 . 2 . . . . . 34 PRO HB2 . 50623 1 388 . 1 . 1 34 34 PRO HB3 H 1 2.627 0.020 . 2 . . . . . 34 PRO HB3 . 50623 1 389 . 1 . 1 34 34 PRO HD2 H 1 3.822 0.020 . 2 . . . . . 34 PRO HD2 . 50623 1 390 . 1 . 1 34 34 PRO HD3 H 1 3.822 0.020 . 2 . . . . . 34 PRO HD3 . 50623 1 391 . 1 . 1 34 34 PRO C C 13 175.863 0.400 . 1 . . . . . 34 PRO C . 50623 1 392 . 1 . 1 34 34 PRO CA C 13 63.895 0.400 . 1 . . . . . 34 PRO CA . 50623 1 393 . 1 . 1 34 34 PRO CB C 13 33.203 0.400 . 1 . . . . . 34 PRO CB . 50623 1 394 . 1 . 1 34 34 PRO CG C 13 26.959 0.400 . 1 . . . . . 34 PRO CG . 50623 1 395 . 1 . 1 34 34 PRO CD C 13 51.959 0.400 . 1 . . . . . 34 PRO CD . 50623 1 396 . 1 . 1 35 35 THR H H 1 8.965 0.020 . 1 . . . . . 35 THR H . 50623 1 397 . 1 . 1 35 35 THR HA H 1 4.317 0.020 . 1 . . . . . 35 THR HA . 50623 1 398 . 1 . 1 35 35 THR HB H 1 4.317 0.020 . 1 . . . . . 35 THR HB . 50623 1 399 . 1 . 1 35 35 THR HG21 H 1 1.184 0.020 . 1 . . . . . 35 THR HG21 . 50623 1 400 . 1 . 1 35 35 THR HG22 H 1 1.184 0.020 . 1 . . . . . 35 THR HG22 . 50623 1 401 . 1 . 1 35 35 THR HG23 H 1 1.184 0.020 . 1 . . . . . 35 THR HG23 . 50623 1 402 . 1 . 1 35 35 THR C C 13 171.897 0.400 . 1 . . . . . 35 THR C . 50623 1 403 . 1 . 1 35 35 THR CA C 13 62.137 0.400 . 1 . . . . . 35 THR CA . 50623 1 404 . 1 . 1 35 35 THR CB C 13 70.147 0.400 . 1 . . . . . 35 THR CB . 50623 1 405 . 1 . 1 35 35 THR CG2 C 13 21.727 0.400 . 1 . . . . . 35 THR CG2 . 50623 1 406 . 1 . 1 35 35 THR N N 15 110.238 0.400 . 1 . . . . . 35 THR N . 50623 1 407 . 1 . 1 36 36 ILE H H 1 6.848 0.020 . 1 . . . . . 36 ILE H . 50623 1 408 . 1 . 1 36 36 ILE HA H 1 3.985 0.020 . 1 . . . . . 36 ILE HA . 50623 1 409 . 1 . 1 36 36 ILE HB H 1 1.691 0.020 . 1 . . . . . 36 ILE HB . 50623 1 410 . 1 . 1 36 36 ILE HG12 H 1 0.887 0.020 . 2 . . . . . 36 ILE HG12 . 50623 1 411 . 1 . 1 36 36 ILE HG13 H 1 1.335 0.020 . 2 . . . . . 36 ILE HG13 . 50623 1 412 . 1 . 1 36 36 ILE HG21 H 1 0.887 0.020 . 1 . . . . . 36 ILE HG21 . 50623 1 413 . 1 . 1 36 36 ILE HG22 H 1 0.887 0.020 . 1 . . . . . 36 ILE HG22 . 50623 1 414 . 1 . 1 36 36 ILE HG23 H 1 0.887 0.020 . 1 . . . . . 36 ILE HG23 . 50623 1 415 . 1 . 1 36 36 ILE HD11 H 1 0.672 0.020 . 1 . . . . . 36 ILE HD11 . 50623 1 416 . 1 . 1 36 36 ILE HD12 H 1 0.672 0.020 . 1 . . . . . 36 ILE HD12 . 50623 1 417 . 1 . 1 36 36 ILE HD13 H 1 0.672 0.020 . 1 . . . . . 36 ILE HD13 . 50623 1 418 . 1 . 1 36 36 ILE C C 13 172.169 0.400 . 1 . . . . . 36 ILE C . 50623 1 419 . 1 . 1 36 36 ILE CA C 13 62.094 0.400 . 1 . . . . . 36 ILE CA . 50623 1 420 . 1 . 1 36 36 ILE CB C 13 38.308 0.400 . 1 . . . . . 36 ILE CB . 50623 1 421 . 1 . 1 36 36 ILE CG1 C 13 27.604 0.400 . 1 . . . . . 36 ILE CG1 . 50623 1 422 . 1 . 1 36 36 ILE CG2 C 13 17.520 0.400 . 1 . . . . . 36 ILE CG2 . 50623 1 423 . 1 . 1 36 36 ILE CD1 C 13 12.851 0.400 . 1 . . . . . 36 ILE CD1 . 50623 1 424 . 1 . 1 36 36 ILE N N 15 121.032 0.400 . 1 . . . . . 36 ILE N . 50623 1 425 . 1 . 1 37 37 GLU H H 1 8.398 0.020 . 1 . . . . . 37 GLU H . 50623 1 426 . 1 . 1 37 37 GLU HA H 1 4.969 0.020 . 1 . . . . . 37 GLU HA . 50623 1 427 . 1 . 1 37 37 GLU HB2 H 1 1.975 0.020 . 2 . . . . . 37 GLU HB2 . 50623 1 428 . 1 . 1 37 37 GLU HB3 H 1 1.975 0.020 . 2 . . . . . 37 GLU HB3 . 50623 1 429 . 1 . 1 37 37 GLU HG2 H 1 2.432 0.020 . 2 . . . . . 37 GLU HG2 . 50623 1 430 . 1 . 1 37 37 GLU HG3 H 1 2.432 0.020 . 2 . . . . . 37 GLU HG3 . 50623 1 431 . 1 . 1 37 37 GLU C C 13 171.549 0.400 . 1 . . . . . 37 GLU C . 50623 1 432 . 1 . 1 37 37 GLU CA C 13 54.519 0.400 . 1 . . . . . 37 GLU CA . 50623 1 433 . 1 . 1 37 37 GLU CB C 13 32.535 0.400 . 1 . . . . . 37 GLU CB . 50623 1 434 . 1 . 1 37 37 GLU CG C 13 36.885 0.400 . 1 . . . . . 37 GLU CG . 50623 1 435 . 1 . 1 37 37 GLU N N 15 131.916 0.400 . 1 . . . . . 37 GLU N . 50623 1 436 . 1 . 1 38 38 ASP H H 1 8.155 0.020 . 1 . . . . . 38 ASP H . 50623 1 437 . 1 . 1 38 38 ASP HA H 1 4.747 0.020 . 1 . . . . . 38 ASP HA . 50623 1 438 . 1 . 1 38 38 ASP HB2 H 1 2.308 0.020 . 2 . . . . . 38 ASP HB2 . 50623 1 439 . 1 . 1 38 38 ASP HB3 H 1 2.423 0.020 . 2 . . . . . 38 ASP HB3 . 50623 1 440 . 1 . 1 38 38 ASP C C 13 170.646 0.400 . 1 . . . . . 38 ASP C . 50623 1 441 . 1 . 1 38 38 ASP CA C 13 52.532 0.400 . 1 . . . . . 38 ASP CA . 50623 1 442 . 1 . 1 38 38 ASP CB C 13 43.608 0.400 . 1 . . . . . 38 ASP CB . 50623 1 443 . 1 . 1 38 38 ASP N N 15 124.311 0.400 . 1 . . . . . 38 ASP N . 50623 1 444 . 1 . 1 39 39 SER H H 1 8.372 0.020 . 1 . . . . . 39 SER H . 50623 1 445 . 1 . 1 39 39 SER HA H 1 5.605 0.020 . 1 . . . . . 39 SER HA . 50623 1 446 . 1 . 1 39 39 SER HB2 H 1 3.456 0.020 . 2 . . . . . 39 SER HB2 . 50623 1 447 . 1 . 1 39 39 SER HB3 H 1 3.627 0.020 . 2 . . . . . 39 SER HB3 . 50623 1 448 . 1 . 1 39 39 SER C C 13 170.899 0.400 . 1 . . . . . 39 SER C . 50623 1 449 . 1 . 1 39 39 SER CA C 13 55.588 0.400 . 1 . . . . . 39 SER CA . 50623 1 450 . 1 . 1 39 39 SER CB C 13 65.921 0.400 . 1 . . . . . 39 SER CB . 50623 1 451 . 1 . 1 39 39 SER N N 15 114.093 0.400 . 1 . . . . . 39 SER N . 50623 1 452 . 1 . 1 40 40 TYR H H 1 9.070 0.020 . 1 . . . . . 40 TYR H . 50623 1 453 . 1 . 1 40 40 TYR HA H 1 4.598 0.020 . 1 . . . . . 40 TYR HA . 50623 1 454 . 1 . 1 40 40 TYR HB2 H 1 2.836 0.020 . 2 . . . . . 40 TYR HB2 . 50623 1 455 . 1 . 1 40 40 TYR HB3 H 1 2.836 0.020 . 2 . . . . . 40 TYR HB3 . 50623 1 456 . 1 . 1 40 40 TYR HD1 H 1 6.978 0.020 . 1 . . . . . 40 TYR HD1 . 50623 1 457 . 1 . 1 40 40 TYR HD2 H 1 6.978 0.020 . 1 . . . . . 40 TYR HD2 . 50623 1 458 . 1 . 1 40 40 TYR HE1 H 1 6.735 0.020 . 1 . . . . . 40 TYR HE1 . 50623 1 459 . 1 . 1 40 40 TYR HE2 H 1 6.735 0.020 . 1 . . . . . 40 TYR HE2 . 50623 1 460 . 1 . 1 40 40 TYR C C 13 171.571 0.400 . 1 . . . . . 40 TYR C . 50623 1 461 . 1 . 1 40 40 TYR CA C 13 56.888 0.400 . 1 . . . . . 40 TYR CA . 50623 1 462 . 1 . 1 40 40 TYR CB C 13 43.357 0.400 . 1 . . . . . 40 TYR CB . 50623 1 463 . 1 . 1 40 40 TYR N N 15 121.544 0.400 . 1 . . . . . 40 TYR N . 50623 1 464 . 1 . 1 41 41 ARG H H 1 8.394 0.020 . 1 . . . . . 41 ARG H . 50623 1 465 . 1 . 1 41 41 ARG HA H 1 5.818 0.020 . 1 . . . . . 41 ARG HA . 50623 1 466 . 1 . 1 41 41 ARG HB2 H 1 1.673 0.020 . 2 . . . . . 41 ARG HB2 . 50623 1 467 . 1 . 1 41 41 ARG HB3 H 1 1.673 0.020 . 2 . . . . . 41 ARG HB3 . 50623 1 468 . 1 . 1 41 41 ARG HG2 H 1 1.570 0.020 . 2 . . . . . 41 ARG HG2 . 50623 1 469 . 1 . 1 41 41 ARG HG3 H 1 1.570 0.020 . 2 . . . . . 41 ARG HG3 . 50623 1 470 . 1 . 1 41 41 ARG HD2 H 1 3.087 0.020 . 2 . . . . . 41 ARG HD2 . 50623 1 471 . 1 . 1 41 41 ARG HD3 H 1 3.087 0.020 . 2 . . . . . 41 ARG HD3 . 50623 1 472 . 1 . 1 41 41 ARG C C 13 173.578 0.400 . 1 . . . . . 41 ARG C . 50623 1 473 . 1 . 1 41 41 ARG CA C 13 54.197 0.400 . 1 . . . . . 41 ARG CA . 50623 1 474 . 1 . 1 41 41 ARG CB C 13 33.959 0.400 . 1 . . . . . 41 ARG CB . 50623 1 475 . 1 . 1 41 41 ARG CG C 13 27.609 0.400 . 1 . . . . . 41 ARG CG . 50623 1 476 . 1 . 1 41 41 ARG CD C 13 43.372 0.400 . 1 . . . . . 41 ARG CD . 50623 1 477 . 1 . 1 41 41 ARG N N 15 120.163 0.400 . 1 . . . . . 41 ARG N . 50623 1 478 . 1 . 1 42 42 LYS H H 1 8.613 0.020 . 1 . . . . . 42 LYS H . 50623 1 479 . 1 . 1 42 42 LYS HA H 1 4.462 0.020 . 1 . . . . . 42 LYS HA . 50623 1 480 . 1 . 1 42 42 LYS HB2 H 1 1.433 0.020 . 2 . . . . . 42 LYS HB2 . 50623 1 481 . 1 . 1 42 42 LYS HB3 H 1 1.688 0.020 . 2 . . . . . 42 LYS HB3 . 50623 1 482 . 1 . 1 42 42 LYS HG2 H 1 1.220 0.020 . 2 . . . . . 42 LYS HG2 . 50623 1 483 . 1 . 1 42 42 LYS HG3 H 1 1.220 0.020 . 2 . . . . . 42 LYS HG3 . 50623 1 484 . 1 . 1 42 42 LYS HD2 H 1 1.690 0.020 . 2 . . . . . 42 LYS HD2 . 50623 1 485 . 1 . 1 42 42 LYS HD3 H 1 1.690 0.020 . 2 . . . . . 42 LYS HD3 . 50623 1 486 . 1 . 1 42 42 LYS HE2 H 1 3.030 0.020 . 2 . . . . . 42 LYS HE2 . 50623 1 487 . 1 . 1 42 42 LYS HE3 H 1 3.030 0.020 . 2 . . . . . 42 LYS HE3 . 50623 1 488 . 1 . 1 42 42 LYS C C 13 171.002 0.400 . 1 . . . . . 42 LYS C . 50623 1 489 . 1 . 1 42 42 LYS CA C 13 55.535 0.400 . 1 . . . . . 42 LYS CA . 50623 1 490 . 1 . 1 42 42 LYS CB C 13 37.968 0.400 . 1 . . . . . 42 LYS CB . 50623 1 491 . 1 . 1 42 42 LYS CG C 13 25.084 0.400 . 1 . . . . . 42 LYS CG . 50623 1 492 . 1 . 1 42 42 LYS CD C 13 30.299 0.400 . 1 . . . . . 42 LYS CD . 50623 1 493 . 1 . 1 42 42 LYS CE C 13 42.462 0.400 . 1 . . . . . 42 LYS CE . 50623 1 494 . 1 . 1 42 42 LYS N N 15 122.013 0.400 . 1 . . . . . 42 LYS N . 50623 1 495 . 1 . 1 43 43 GLN H H 1 8.812 0.020 . 1 . . . . . 43 GLN H . 50623 1 496 . 1 . 1 43 43 GLN HA H 1 5.306 0.020 . 1 . . . . . 43 GLN HA . 50623 1 497 . 1 . 1 43 43 GLN HB2 H 1 1.924 0.020 . 2 . . . . . 43 GLN HB2 . 50623 1 498 . 1 . 1 43 43 GLN HB3 H 1 1.924 0.020 . 2 . . . . . 43 GLN HB3 . 50623 1 499 . 1 . 1 43 43 GLN HG2 H 1 2.155 0.020 . 2 . . . . . 43 GLN HG2 . 50623 1 500 . 1 . 1 43 43 GLN HG3 H 1 2.155 0.020 . 2 . . . . . 43 GLN HG3 . 50623 1 501 . 1 . 1 43 43 GLN HE21 H 1 6.753 0.020 . 2 . . . . . 43 GLN HE21 . 50623 1 502 . 1 . 1 43 43 GLN HE22 H 1 7.216 0.020 . 2 . . . . . 43 GLN HE22 . 50623 1 503 . 1 . 1 43 43 GLN C C 13 171.035 0.400 . 1 . . . . . 43 GLN C . 50623 1 504 . 1 . 1 43 43 GLN CA C 13 55.497 0.400 . 1 . . . . . 43 GLN CA . 50623 1 505 . 1 . 1 43 43 GLN CB C 13 29.787 0.400 . 1 . . . . . 43 GLN CB . 50623 1 506 . 1 . 1 43 43 GLN CG C 13 34.590 0.400 . 1 . . . . . 43 GLN CG . 50623 1 507 . 1 . 1 43 43 GLN N N 15 128.914 0.400 . 1 . . . . . 43 GLN N . 50623 1 508 . 1 . 1 43 43 GLN NE2 N 15 111.617 0.400 . 1 . . . . . 43 GLN NE2 . 50623 1 509 . 1 . 1 44 44 VAL H H 1 9.073 0.020 . 1 . . . . . 44 VAL H . 50623 1 510 . 1 . 1 44 44 VAL HA H 1 4.699 0.020 . 1 . . . . . 44 VAL HA . 50623 1 511 . 1 . 1 44 44 VAL HB H 1 2.028 0.020 . 1 . . . . . 44 VAL HB . 50623 1 512 . 1 . 1 44 44 VAL HG11 H 1 0.777 0.020 . 2 . . . . . 44 VAL HG11 . 50623 1 513 . 1 . 1 44 44 VAL HG12 H 1 0.777 0.020 . 2 . . . . . 44 VAL HG12 . 50623 1 514 . 1 . 1 44 44 VAL HG13 H 1 0.777 0.020 . 2 . . . . . 44 VAL HG13 . 50623 1 515 . 1 . 1 44 44 VAL HG21 H 1 0.777 0.020 . 2 . . . . . 44 VAL HG21 . 50623 1 516 . 1 . 1 44 44 VAL HG22 H 1 0.777 0.020 . 2 . . . . . 44 VAL HG22 . 50623 1 517 . 1 . 1 44 44 VAL HG23 H 1 0.777 0.020 . 2 . . . . . 44 VAL HG23 . 50623 1 518 . 1 . 1 44 44 VAL C C 13 170.430 0.400 . 1 . . . . . 44 VAL C . 50623 1 519 . 1 . 1 44 44 VAL CA C 13 59.640 0.400 . 1 . . . . . 44 VAL CA . 50623 1 520 . 1 . 1 44 44 VAL CB C 13 36.169 0.400 . 1 . . . . . 44 VAL CB . 50623 1 521 . 1 . 1 44 44 VAL CG1 C 13 20.048 0.400 . 2 . . . . . 44 VAL CG1 . 50623 1 522 . 1 . 1 44 44 VAL CG2 C 13 21.775 0.400 . 2 . . . . . 44 VAL CG2 . 50623 1 523 . 1 . 1 44 44 VAL N N 15 121.816 0.400 . 1 . . . . . 44 VAL N . 50623 1 524 . 1 . 1 45 45 VAL H H 1 8.091 0.020 . 1 . . . . . 45 VAL H . 50623 1 525 . 1 . 1 45 45 VAL HA H 1 4.652 0.020 . 1 . . . . . 45 VAL HA . 50623 1 526 . 1 . 1 45 45 VAL HB H 1 1.837 0.020 . 1 . . . . . 45 VAL HB . 50623 1 527 . 1 . 1 45 45 VAL HG11 H 1 0.608 0.020 . 2 . . . . . 45 VAL HG11 . 50623 1 528 . 1 . 1 45 45 VAL HG12 H 1 0.608 0.020 . 2 . . . . . 45 VAL HG12 . 50623 1 529 . 1 . 1 45 45 VAL HG13 H 1 0.608 0.020 . 2 . . . . . 45 VAL HG13 . 50623 1 530 . 1 . 1 45 45 VAL HG21 H 1 0.608 0.020 . 2 . . . . . 45 VAL HG21 . 50623 1 531 . 1 . 1 45 45 VAL HG22 H 1 0.608 0.020 . 2 . . . . . 45 VAL HG22 . 50623 1 532 . 1 . 1 45 45 VAL HG23 H 1 0.608 0.020 . 2 . . . . . 45 VAL HG23 . 50623 1 533 . 1 . 1 45 45 VAL C C 13 172.975 0.400 . 1 . . . . . 45 VAL C . 50623 1 534 . 1 . 1 45 45 VAL CA C 13 61.694 0.400 . 1 . . . . . 45 VAL CA . 50623 1 535 . 1 . 1 45 45 VAL CB C 13 32.246 0.400 . 1 . . . . . 45 VAL CB . 50623 1 536 . 1 . 1 45 45 VAL CG1 C 13 20.934 0.400 . 2 . . . . . 45 VAL CG1 . 50623 1 537 . 1 . 1 45 45 VAL CG2 C 13 20.934 0.400 . 2 . . . . . 45 VAL CG2 . 50623 1 538 . 1 . 1 45 45 VAL N N 15 122.229 0.400 . 1 . . . . . 45 VAL N . 50623 1 539 . 1 . 1 46 46 ILE H H 1 8.288 0.020 . 1 . . . . . 46 ILE H . 50623 1 540 . 1 . 1 46 46 ILE HA H 1 3.922 0.020 . 1 . . . . . 46 ILE HA . 50623 1 541 . 1 . 1 46 46 ILE HB H 1 1.340 0.020 . 1 . . . . . 46 ILE HB . 50623 1 542 . 1 . 1 46 46 ILE HG12 H 1 -0.435 0.020 . 2 . . . . . 46 ILE HG12 . 50623 1 543 . 1 . 1 46 46 ILE HG13 H 1 0.873 0.020 . 2 . . . . . 46 ILE HG13 . 50623 1 544 . 1 . 1 46 46 ILE HG21 H 1 0.469 0.020 . 1 . . . . . 46 ILE HG21 . 50623 1 545 . 1 . 1 46 46 ILE HG22 H 1 0.469 0.020 . 1 . . . . . 46 ILE HG22 . 50623 1 546 . 1 . 1 46 46 ILE HG23 H 1 0.469 0.020 . 1 . . . . . 46 ILE HG23 . 50623 1 547 . 1 . 1 46 46 ILE HD11 H 1 -0.435 0.020 . 1 . . . . . 46 ILE HD11 . 50623 1 548 . 1 . 1 46 46 ILE HD12 H 1 -0.435 0.020 . 1 . . . . . 46 ILE HD12 . 50623 1 549 . 1 . 1 46 46 ILE HD13 H 1 -0.435 0.020 . 1 . . . . . 46 ILE HD13 . 50623 1 550 . 1 . 1 46 46 ILE C C 13 173.983 0.400 . 1 . . . . . 46 ILE C . 50623 1 551 . 1 . 1 46 46 ILE CA C 13 60.357 0.400 . 1 . . . . . 46 ILE CA . 50623 1 552 . 1 . 1 46 46 ILE CB C 13 39.852 0.400 . 1 . . . . . 46 ILE CB . 50623 1 553 . 1 . 1 46 46 ILE CG1 C 13 25.584 0.400 . 1 . . . . . 46 ILE CG1 . 50623 1 554 . 1 . 1 46 46 ILE CG2 C 13 16.184 0.400 . 1 . . . . . 46 ILE CG2 . 50623 1 555 . 1 . 1 46 46 ILE CD1 C 13 16.184 0.400 . 1 . . . . . 46 ILE CD1 . 50623 1 556 . 1 . 1 46 46 ILE N N 15 125.785 0.400 . 1 . . . . . 46 ILE N . 50623 1 557 . 1 . 1 47 47 ASP H H 1 9.511 0.020 . 1 . . . . . 47 ASP H . 50623 1 558 . 1 . 1 47 47 ASP HA H 1 4.229 0.020 . 1 . . . . . 47 ASP HA . 50623 1 559 . 1 . 1 47 47 ASP HB2 H 1 2.831 0.020 . 2 . . . . . 47 ASP HB2 . 50623 1 560 . 1 . 1 47 47 ASP HB3 H 1 2.839 0.020 . 2 . . . . . 47 ASP HB3 . 50623 1 561 . 1 . 1 47 47 ASP C C 13 173.498 0.400 . 1 . . . . . 47 ASP C . 50623 1 562 . 1 . 1 47 47 ASP CA C 13 55.323 0.400 . 1 . . . . . 47 ASP CA . 50623 1 563 . 1 . 1 47 47 ASP CB C 13 39.566 0.400 . 1 . . . . . 47 ASP CB . 50623 1 564 . 1 . 1 47 47 ASP N N 15 130.333 0.400 . 1 . . . . . 47 ASP N . 50623 1 565 . 1 . 1 48 48 GLY H H 1 8.261 0.020 . 1 . . . . . 48 GLY H . 50623 1 566 . 1 . 1 48 48 GLY HA2 H 1 3.423 0.020 . 2 . . . . . 48 GLY HA2 . 50623 1 567 . 1 . 1 48 48 GLY HA3 H 1 4.115 0.020 . 2 . . . . . 48 GLY HA3 . 50623 1 568 . 1 . 1 48 48 GLY C C 13 170.406 0.400 . 1 . . . . . 48 GLY C . 50623 1 569 . 1 . 1 48 48 GLY CA C 13 45.259 0.400 . 1 . . . . . 48 GLY CA . 50623 1 570 . 1 . 1 48 48 GLY N N 15 103.667 0.400 . 1 . . . . . 48 GLY N . 50623 1 571 . 1 . 1 49 49 GLU H H 1 7.681 0.020 . 1 . . . . . 49 GLU H . 50623 1 572 . 1 . 1 49 49 GLU HA H 1 4.564 0.020 . 1 . . . . . 49 GLU HA . 50623 1 573 . 1 . 1 49 49 GLU HB2 H 1 1.786 0.020 . 2 . . . . . 49 GLU HB2 . 50623 1 574 . 1 . 1 49 49 GLU HB3 H 1 2.059 0.020 . 2 . . . . . 49 GLU HB3 . 50623 1 575 . 1 . 1 49 49 GLU HG2 H 1 2.233 0.020 . 2 . . . . . 49 GLU HG2 . 50623 1 576 . 1 . 1 49 49 GLU HG3 H 1 2.233 0.020 . 2 . . . . . 49 GLU HG3 . 50623 1 577 . 1 . 1 49 49 GLU C C 13 172.908 0.400 . 1 . . . . . 49 GLU C . 50623 1 578 . 1 . 1 49 49 GLU CA C 13 54.695 0.400 . 1 . . . . . 49 GLU CA . 50623 1 579 . 1 . 1 49 49 GLU CB C 13 31.819 0.400 . 1 . . . . . 49 GLU CB . 50623 1 580 . 1 . 1 49 49 GLU CG C 13 36.338 0.400 . 1 . . . . . 49 GLU CG . 50623 1 581 . 1 . 1 49 49 GLU N N 15 122.840 0.400 . 1 . . . . . 49 GLU N . 50623 1 582 . 1 . 1 50 50 THR H H 1 8.955 0.020 . 1 . . . . . 50 THR H . 50623 1 583 . 1 . 1 50 50 THR HA H 1 4.556 0.020 . 1 . . . . . 50 THR HA . 50623 1 584 . 1 . 1 50 50 THR HB H 1 4.084 0.020 . 1 . . . . . 50 THR HB . 50623 1 585 . 1 . 1 50 50 THR HG21 H 1 1.145 0.020 . 1 . . . . . 50 THR HG21 . 50623 1 586 . 1 . 1 50 50 THR HG22 H 1 1.145 0.020 . 1 . . . . . 50 THR HG22 . 50623 1 587 . 1 . 1 50 50 THR HG23 H 1 1.145 0.020 . 1 . . . . . 50 THR HG23 . 50623 1 588 . 1 . 1 50 50 THR C C 13 170.801 0.400 . 1 . . . . . 50 THR C . 50623 1 589 . 1 . 1 50 50 THR CA C 13 63.914 0.400 . 1 . . . . . 50 THR CA . 50623 1 590 . 1 . 1 50 50 THR CB C 13 68.290 0.400 . 1 . . . . . 50 THR CB . 50623 1 591 . 1 . 1 50 50 THR CG2 C 13 22.207 0.400 . 1 . . . . . 50 THR CG2 . 50623 1 592 . 1 . 1 50 50 THR N N 15 126.022 0.400 . 1 . . . . . 50 THR N . 50623 1 593 . 1 . 1 51 51 CYS H H 1 9.367 0.020 . 1 . . . . . 51 CYS H . 50623 1 594 . 1 . 1 51 51 CYS HA H 1 5.159 0.020 . 1 . . . . . 51 CYS HA . 50623 1 595 . 1 . 1 51 51 CYS HB2 H 1 2.829 0.020 . 2 . . . . . 51 CYS HB2 . 50623 1 596 . 1 . 1 51 51 CYS HB3 H 1 2.829 0.020 . 2 . . . . . 51 CYS HB3 . 50623 1 597 . 1 . 1 51 51 CYS C C 13 168.728 0.400 . 1 . . . . . 51 CYS C . 50623 1 598 . 1 . 1 51 51 CYS CA C 13 56.491 0.400 . 1 . . . . . 51 CYS CA . 50623 1 599 . 1 . 1 51 51 CYS CB C 13 31.309 0.400 . 1 . . . . . 51 CYS CB . 50623 1 600 . 1 . 1 51 51 CYS N N 15 125.097 0.400 . 1 . . . . . 51 CYS N . 50623 1 601 . 1 . 1 52 52 LEU H H 1 8.780 0.020 . 1 . . . . . 52 LEU H . 50623 1 602 . 1 . 1 52 52 LEU HA H 1 4.895 0.020 . 1 . . . . . 52 LEU HA . 50623 1 603 . 1 . 1 52 52 LEU HB2 H 1 1.473 0.020 . 2 . . . . . 52 LEU HB2 . 50623 1 604 . 1 . 1 52 52 LEU HB3 H 1 1.584 0.020 . 2 . . . . . 52 LEU HB3 . 50623 1 605 . 1 . 1 52 52 LEU HG H 1 1.452 0.020 . 1 . . . . . 52 LEU HG . 50623 1 606 . 1 . 1 52 52 LEU HD11 H 1 0.760 0.020 . 2 . . . . . 52 LEU HD11 . 50623 1 607 . 1 . 1 52 52 LEU HD12 H 1 0.760 0.020 . 2 . . . . . 52 LEU HD12 . 50623 1 608 . 1 . 1 52 52 LEU HD13 H 1 0.760 0.020 . 2 . . . . . 52 LEU HD13 . 50623 1 609 . 1 . 1 52 52 LEU HD21 H 1 0.760 0.020 . 2 . . . . . 52 LEU HD21 . 50623 1 610 . 1 . 1 52 52 LEU HD22 H 1 0.760 0.020 . 2 . . . . . 52 LEU HD22 . 50623 1 611 . 1 . 1 52 52 LEU HD23 H 1 0.760 0.020 . 2 . . . . . 52 LEU HD23 . 50623 1 612 . 1 . 1 52 52 LEU C C 13 172.428 0.400 . 1 . . . . . 52 LEU C . 50623 1 613 . 1 . 1 52 52 LEU CA C 13 53.296 0.400 . 1 . . . . . 52 LEU CA . 50623 1 614 . 1 . 1 52 52 LEU CB C 13 44.117 0.400 . 1 . . . . . 52 LEU CB . 50623 1 615 . 1 . 1 52 52 LEU CG C 13 27.421 0.400 . 1 . . . . . 52 LEU CG . 50623 1 616 . 1 . 1 52 52 LEU CD1 C 13 24.501 0.400 . 2 . . . . . 52 LEU CD1 . 50623 1 617 . 1 . 1 52 52 LEU CD2 C 13 27.421 0.400 . 2 . . . . . 52 LEU CD2 . 50623 1 618 . 1 . 1 52 52 LEU N N 15 122.691 0.400 . 1 . . . . . 52 LEU N . 50623 1 619 . 1 . 1 53 53 LEU H H 1 9.074 0.020 . 1 . . . . . 53 LEU H . 50623 1 620 . 1 . 1 53 53 LEU HA H 1 4.901 0.020 . 1 . . . . . 53 LEU HA . 50623 1 621 . 1 . 1 53 53 LEU HB2 H 1 1.151 0.020 . 2 . . . . . 53 LEU HB2 . 50623 1 622 . 1 . 1 53 53 LEU HB3 H 1 1.913 0.020 . 2 . . . . . 53 LEU HB3 . 50623 1 623 . 1 . 1 53 53 LEU HG H 1 1.881 0.020 . 1 . . . . . 53 LEU HG . 50623 1 624 . 1 . 1 53 53 LEU HD11 H 1 0.755 0.020 . 2 . . . . . 53 LEU HD11 . 50623 1 625 . 1 . 1 53 53 LEU HD12 H 1 0.755 0.020 . 2 . . . . . 53 LEU HD12 . 50623 1 626 . 1 . 1 53 53 LEU HD13 H 1 0.755 0.020 . 2 . . . . . 53 LEU HD13 . 50623 1 627 . 1 . 1 53 53 LEU HD21 H 1 0.755 0.020 . 2 . . . . . 53 LEU HD21 . 50623 1 628 . 1 . 1 53 53 LEU HD22 H 1 0.755 0.020 . 2 . . . . . 53 LEU HD22 . 50623 1 629 . 1 . 1 53 53 LEU HD23 H 1 0.755 0.020 . 2 . . . . . 53 LEU HD23 . 50623 1 630 . 1 . 1 53 53 LEU C C 13 171.726 0.400 . 1 . . . . . 53 LEU C . 50623 1 631 . 1 . 1 53 53 LEU CA C 13 53.652 0.400 . 1 . . . . . 53 LEU CA . 50623 1 632 . 1 . 1 53 53 LEU CB C 13 42.148 0.400 . 1 . . . . . 53 LEU CB . 50623 1 633 . 1 . 1 53 53 LEU CG C 13 27.004 0.400 . 1 . . . . . 53 LEU CG . 50623 1 634 . 1 . 1 53 53 LEU CD1 C 13 24.114 0.400 . 2 . . . . . 53 LEU CD1 . 50623 1 635 . 1 . 1 53 53 LEU CD2 C 13 25.631 0.400 . 2 . . . . . 53 LEU CD2 . 50623 1 636 . 1 . 1 53 53 LEU N N 15 123.899 0.400 . 1 . . . . . 53 LEU N . 50623 1 637 . 1 . 1 54 54 ASP H H 1 8.690 0.020 . 1 . . . . . 54 ASP H . 50623 1 638 . 1 . 1 54 54 ASP HA H 1 5.176 0.020 . 1 . . . . . 54 ASP HA . 50623 1 639 . 1 . 1 54 54 ASP HB2 H 1 2.345 0.020 . 2 . . . . . 54 ASP HB2 . 50623 1 640 . 1 . 1 54 54 ASP HB3 H 1 2.835 0.020 . 2 . . . . . 54 ASP HB3 . 50623 1 641 . 1 . 1 54 54 ASP C C 13 172.236 0.400 . 1 . . . . . 54 ASP C . 50623 1 642 . 1 . 1 54 54 ASP CA C 13 52.946 0.400 . 1 . . . . . 54 ASP CA . 50623 1 643 . 1 . 1 54 54 ASP CB C 13 42.178 0.400 . 1 . . . . . 54 ASP CB . 50623 1 644 . 1 . 1 54 54 ASP N N 15 125.323 0.400 . 1 . . . . . 54 ASP N . 50623 1 645 . 1 . 1 55 55 ILE H H 1 9.199 0.020 . 1 . . . . . 55 ILE H . 50623 1 646 . 1 . 1 55 55 ILE HA H 1 4.734 0.020 . 1 . . . . . 55 ILE HA . 50623 1 647 . 1 . 1 55 55 ILE HB H 1 1.716 0.020 . 1 . . . . . 55 ILE HB . 50623 1 648 . 1 . 1 55 55 ILE HG12 H 1 1.496 0.020 . 2 . . . . . 55 ILE HG12 . 50623 1 649 . 1 . 1 55 55 ILE HG13 H 1 1.496 0.020 . 2 . . . . . 55 ILE HG13 . 50623 1 650 . 1 . 1 55 55 ILE HG21 H 1 0.811 0.020 . 1 . . . . . 55 ILE HG21 . 50623 1 651 . 1 . 1 55 55 ILE HG22 H 1 0.811 0.020 . 1 . . . . . 55 ILE HG22 . 50623 1 652 . 1 . 1 55 55 ILE HG23 H 1 0.811 0.020 . 1 . . . . . 55 ILE HG23 . 50623 1 653 . 1 . 1 55 55 ILE HD11 H 1 0.515 0.020 . 1 . . . . . 55 ILE HD11 . 50623 1 654 . 1 . 1 55 55 ILE HD12 H 1 0.515 0.020 . 1 . . . . . 55 ILE HD12 . 50623 1 655 . 1 . 1 55 55 ILE HD13 H 1 0.515 0.020 . 1 . . . . . 55 ILE HD13 . 50623 1 656 . 1 . 1 55 55 ILE C C 13 172.196 0.400 . 1 . . . . . 55 ILE C . 50623 1 657 . 1 . 1 55 55 ILE CA C 13 60.150 0.400 . 1 . . . . . 55 ILE CA . 50623 1 658 . 1 . 1 55 55 ILE CB C 13 41.683 0.400 . 1 . . . . . 55 ILE CB . 50623 1 659 . 1 . 1 55 55 ILE CG1 C 13 27.932 0.400 . 1 . . . . . 55 ILE CG1 . 50623 1 660 . 1 . 1 55 55 ILE CG2 C 13 19.087 0.400 . 1 . . . . . 55 ILE CG2 . 50623 1 661 . 1 . 1 55 55 ILE CD1 C 13 15.310 0.400 . 1 . . . . . 55 ILE CD1 . 50623 1 662 . 1 . 1 55 55 ILE N N 15 123.925 0.400 . 1 . . . . . 55 ILE N . 50623 1 663 . 1 . 1 56 56 LEU H H 1 8.676 0.020 . 1 . . . . . 56 LEU H . 50623 1 664 . 1 . 1 56 56 LEU HA H 1 4.579 0.020 . 1 . . . . . 56 LEU HA . 50623 1 665 . 1 . 1 56 56 LEU HB2 H 1 1.547 0.020 . 2 . . . . . 56 LEU HB2 . 50623 1 666 . 1 . 1 56 56 LEU HB3 H 1 1.547 0.020 . 2 . . . . . 56 LEU HB3 . 50623 1 667 . 1 . 1 56 56 LEU HG H 1 1.010 0.020 . 1 . . . . . 56 LEU HG . 50623 1 668 . 1 . 1 56 56 LEU HD11 H 1 0.453 0.020 . 2 . . . . . 56 LEU HD11 . 50623 1 669 . 1 . 1 56 56 LEU HD12 H 1 0.453 0.020 . 2 . . . . . 56 LEU HD12 . 50623 1 670 . 1 . 1 56 56 LEU HD13 H 1 0.453 0.020 . 2 . . . . . 56 LEU HD13 . 50623 1 671 . 1 . 1 56 56 LEU HD21 H 1 0.654 0.020 . 2 . . . . . 56 LEU HD21 . 50623 1 672 . 1 . 1 56 56 LEU HD22 H 1 0.654 0.020 . 2 . . . . . 56 LEU HD22 . 50623 1 673 . 1 . 1 56 56 LEU HD23 H 1 0.654 0.020 . 2 . . . . . 56 LEU HD23 . 50623 1 674 . 1 . 1 56 56 LEU C C 13 171.044 0.400 . 1 . . . . . 56 LEU C . 50623 1 675 . 1 . 1 56 56 LEU CA C 13 54.076 0.400 . 1 . . . . . 56 LEU CA . 50623 1 676 . 1 . 1 56 56 LEU CB C 13 42.633 0.400 . 1 . . . . . 56 LEU CB . 50623 1 677 . 1 . 1 56 56 LEU CG C 13 26.786 0.400 . 1 . . . . . 56 LEU CG . 50623 1 678 . 1 . 1 56 56 LEU CD1 C 13 22.903 0.400 . 2 . . . . . 56 LEU CD1 . 50623 1 679 . 1 . 1 56 56 LEU CD2 C 13 26.787 0.400 . 2 . . . . . 56 LEU CD2 . 50623 1 680 . 1 . 1 56 56 LEU N N 15 127.797 0.400 . 1 . . . . . 56 LEU N . 50623 1 681 . 1 . 1 57 57 ASP H H 1 8.489 0.020 . 1 . . . . . 57 ASP H . 50623 1 682 . 1 . 1 57 57 ASP HA H 1 4.738 0.020 . 1 . . . . . 57 ASP HA . 50623 1 683 . 1 . 1 57 57 ASP HB2 H 1 2.585 0.020 . 2 . . . . . 57 ASP HB2 . 50623 1 684 . 1 . 1 57 57 ASP HB3 H 1 3.191 0.020 . 2 . . . . . 57 ASP HB3 . 50623 1 685 . 1 . 1 57 57 ASP C C 13 172.823 0.400 . 1 . . . . . 57 ASP C . 50623 1 686 . 1 . 1 57 57 ASP CA C 13 53.117 0.400 . 1 . . . . . 57 ASP CA . 50623 1 687 . 1 . 1 57 57 ASP CB C 13 41.463 0.400 . 1 . . . . . 57 ASP CB . 50623 1 688 . 1 . 1 57 57 ASP N N 15 129.208 0.400 . 1 . . . . . 57 ASP N . 50623 1 689 . 1 . 1 58 58 THR H H 1 6.785 0.020 . 1 . . . . . 58 THR H . 50623 1 690 . 1 . 1 58 58 THR HA H 1 4.426 0.020 . 1 . . . . . 58 THR HA . 50623 1 691 . 1 . 1 58 58 THR HB H 1 4.232 0.020 . 1 . . . . . 58 THR HB . 50623 1 692 . 1 . 1 58 58 THR HG21 H 1 1.074 0.020 . 1 . . . . . 58 THR HG21 . 50623 1 693 . 1 . 1 58 58 THR HG22 H 1 1.074 0.020 . 1 . . . . . 58 THR HG22 . 50623 1 694 . 1 . 1 58 58 THR HG23 H 1 1.074 0.020 . 1 . . . . . 58 THR HG23 . 50623 1 695 . 1 . 1 58 58 THR C C 13 170.771 0.400 . 1 . . . . . 58 THR C . 50623 1 696 . 1 . 1 58 58 THR CA C 13 61.657 0.400 . 1 . . . . . 58 THR CA . 50623 1 697 . 1 . 1 58 58 THR CB C 13 71.942 0.400 . 1 . . . . . 58 THR CB . 50623 1 698 . 1 . 1 58 58 THR CG2 C 13 22.695 0.400 . 1 . . . . . 58 THR CG2 . 50623 1 699 . 1 . 1 58 58 THR N N 15 110.371 0.400 . 1 . . . . . 58 THR N . 50623 1 700 . 1 . 1 59 59 ALA H H 1 9.073 0.020 . 1 . . . . . 59 ALA H . 50623 1 701 . 1 . 1 59 59 ALA HA H 1 4.784 0.020 . 1 . . . . . 59 ALA HA . 50623 1 702 . 1 . 1 59 59 ALA HB1 H 1 1.327 0.020 . 1 . . . . . 59 ALA HB1 . 50623 1 703 . 1 . 1 59 59 ALA HB2 H 1 1.327 0.020 . 1 . . . . . 59 ALA HB2 . 50623 1 704 . 1 . 1 59 59 ALA HB3 H 1 1.327 0.020 . 1 . . . . . 59 ALA HB3 . 50623 1 705 . 1 . 1 59 59 ALA C C 13 175.387 0.400 . 1 . . . . . 59 ALA C . 50623 1 706 . 1 . 1 59 59 ALA CA C 13 51.630 0.400 . 1 . . . . . 59 ALA CA . 50623 1 707 . 1 . 1 59 59 ALA CB C 13 20.770 0.400 . 1 . . . . . 59 ALA CB . 50623 1 708 . 1 . 1 59 59 ALA N N 15 121.524 0.400 . 1 . . . . . 59 ALA N . 50623 1 709 . 1 . 1 60 60 GLY H H 1 8.268 0.020 . 1 . . . . . 60 GLY H . 50623 1 710 . 1 . 1 60 60 GLY HA2 H 1 4.078 0.020 . 2 . . . . . 60 GLY HA2 . 50623 1 711 . 1 . 1 60 60 GLY HA3 H 1 4.078 0.020 . 2 . . . . . 60 GLY HA3 . 50623 1 712 . 1 . 1 60 60 GLY C C 13 172.298 0.400 . 1 . . . . . 60 GLY C . 50623 1 713 . 1 . 1 60 60 GLY CA C 13 46.142 0.400 . 1 . . . . . 60 GLY CA . 50623 1 714 . 1 . 1 60 60 GLY N N 15 108.172 0.400 . 1 . . . . . 60 GLY N . 50623 1 715 . 1 . 1 61 61 GLN H H 1 8.568 0.020 . 1 . . . . . 61 GLN H . 50623 1 716 . 1 . 1 61 61 GLN HA H 1 4.367 0.020 . 1 . . . . . 61 GLN HA . 50623 1 717 . 1 . 1 61 61 GLN HB2 H 1 2.054 0.020 . 2 . . . . . 61 GLN HB2 . 50623 1 718 . 1 . 1 61 61 GLN HB3 H 1 2.249 0.020 . 2 . . . . . 61 GLN HB3 . 50623 1 719 . 1 . 1 61 61 GLN HG2 H 1 2.395 0.020 . 2 . . . . . 61 GLN HG2 . 50623 1 720 . 1 . 1 61 61 GLN HG3 H 1 2.395 0.020 . 2 . . . . . 61 GLN HG3 . 50623 1 721 . 1 . 1 61 61 GLN CA C 13 56.196 0.400 . 1 . . . . . 61 GLN CA . 50623 1 722 . 1 . 1 61 61 GLN CB C 13 29.247 0.400 . 1 . . . . . 61 GLN CB . 50623 1 723 . 1 . 1 61 61 GLN CG C 13 33.956 0.400 . 1 . . . . . 61 GLN CG . 50623 1 724 . 1 . 1 61 61 GLN N N 15 119.373 0.400 . 1 . . . . . 61 GLN N . 50623 1 725 . 1 . 1 62 62 GLU H H 1 8.698 0.020 . 1 . . . . . 62 GLU H . 50623 1 726 . 1 . 1 62 62 GLU HA H 1 4.205 0.020 . 1 . . . . . 62 GLU HA . 50623 1 727 . 1 . 1 62 62 GLU HB2 H 1 2.093 0.020 . 2 . . . . . 62 GLU HB2 . 50623 1 728 . 1 . 1 62 62 GLU HB3 H 1 2.093 0.020 . 2 . . . . . 62 GLU HB3 . 50623 1 729 . 1 . 1 62 62 GLU HG2 H 1 2.284 0.020 . 2 . . . . . 62 GLU HG2 . 50623 1 730 . 1 . 1 62 62 GLU HG3 H 1 2.284 0.020 . 2 . . . . . 62 GLU HG3 . 50623 1 731 . 1 . 1 62 62 GLU C C 13 171.940 0.400 . 1 . . . . . 62 GLU C . 50623 1 732 . 1 . 1 62 62 GLU CA C 13 57.566 0.400 . 1 . . . . . 62 GLU CA . 50623 1 733 . 1 . 1 62 62 GLU CB C 13 29.624 0.400 . 1 . . . . . 62 GLU CB . 50623 1 734 . 1 . 1 62 62 GLU CG C 13 36.291 0.400 . 1 . . . . . 62 GLU CG . 50623 1 735 . 1 . 1 62 62 GLU N N 15 120.615 0.400 . 1 . . . . . 62 GLU N . 50623 1 736 . 1 . 1 63 63 GLU H H 1 8.289 0.020 . 1 . . . . . 63 GLU H . 50623 1 737 . 1 . 1 63 63 GLU HA H 1 4.196 0.020 . 1 . . . . . 63 GLU HA . 50623 1 738 . 1 . 1 63 63 GLU HB2 H 1 1.903 0.020 . 2 . . . . . 63 GLU HB2 . 50623 1 739 . 1 . 1 63 63 GLU HB3 H 1 1.903 0.020 . 2 . . . . . 63 GLU HB3 . 50623 1 740 . 1 . 1 63 63 GLU HG2 H 1 2.155 0.020 . 2 . . . . . 63 GLU HG2 . 50623 1 741 . 1 . 1 63 63 GLU HG3 H 1 2.155 0.020 . 2 . . . . . 63 GLU HG3 . 50623 1 742 . 1 . 1 63 63 GLU C C 13 173.265 0.400 . 1 . . . . . 63 GLU C . 50623 1 743 . 1 . 1 63 63 GLU CA C 13 56.775 0.400 . 1 . . . . . 63 GLU CA . 50623 1 744 . 1 . 1 63 63 GLU CB C 13 30.390 0.400 . 1 . . . . . 63 GLU CB . 50623 1 745 . 1 . 1 63 63 GLU CG C 13 36.160 0.400 . 1 . . . . . 63 GLU CG . 50623 1 746 . 1 . 1 63 63 GLU N N 15 120.321 0.400 . 1 . . . . . 63 GLU N . 50623 1 747 . 1 . 1 64 64 TYR H H 1 8.243 0.020 . 1 . . . . . 64 TYR H . 50623 1 748 . 1 . 1 64 64 TYR HA H 1 4.489 0.020 . 1 . . . . . 64 TYR HA . 50623 1 749 . 1 . 1 64 64 TYR HB2 H 1 2.975 0.020 . 2 . . . . . 64 TYR HB2 . 50623 1 750 . 1 . 1 64 64 TYR HB3 H 1 2.975 0.020 . 2 . . . . . 64 TYR HB3 . 50623 1 751 . 1 . 1 64 64 TYR HD1 H 1 7.072 0.020 . 1 . . . . . 64 TYR HD1 . 50623 1 752 . 1 . 1 64 64 TYR HD2 H 1 7.072 0.020 . 1 . . . . . 64 TYR HD2 . 50623 1 753 . 1 . 1 64 64 TYR HE1 H 1 6.739 0.020 . 1 . . . . . 64 TYR HE1 . 50623 1 754 . 1 . 1 64 64 TYR HE2 H 1 6.739 0.020 . 1 . . . . . 64 TYR HE2 . 50623 1 755 . 1 . 1 64 64 TYR C C 13 172.117 0.400 . 1 . . . . . 64 TYR C . 50623 1 756 . 1 . 1 64 64 TYR CA C 13 58.165 0.400 . 1 . . . . . 64 TYR CA . 50623 1 757 . 1 . 1 64 64 TYR CB C 13 38.361 0.400 . 1 . . . . . 64 TYR CB . 50623 1 758 . 1 . 1 64 64 TYR N N 15 120.832 0.400 . 1 . . . . . 64 TYR N . 50623 1 759 . 1 . 1 65 65 SER H H 1 7.851 0.020 . 1 . . . . . 65 SER H . 50623 1 760 . 1 . 1 65 65 SER HA H 1 4.374 0.020 . 1 . . . . . 65 SER HA . 50623 1 761 . 1 . 1 65 65 SER HB2 H 1 3.718 0.020 . 2 . . . . . 65 SER HB2 . 50623 1 762 . 1 . 1 65 65 SER HB3 H 1 3.972 0.020 . 2 . . . . . 65 SER HB3 . 50623 1 763 . 1 . 1 65 65 SER C C 13 171.711 0.400 . 1 . . . . . 65 SER C . 50623 1 764 . 1 . 1 65 65 SER CA C 13 56.979 0.400 . 1 . . . . . 65 SER CA . 50623 1 765 . 1 . 1 65 65 SER CB C 13 64.124 0.400 . 1 . . . . . 65 SER CB . 50623 1 766 . 1 . 1 65 65 SER N N 15 119.506 0.400 . 1 . . . . . 65 SER N . 50623 1 767 . 1 . 1 66 66 ALA H H 1 8.761 0.020 . 1 . . . . . 66 ALA H . 50623 1 768 . 1 . 1 66 66 ALA HA H 1 4.137 0.020 . 1 . . . . . 66 ALA HA . 50623 1 769 . 1 . 1 66 66 ALA HB1 H 1 1.470 0.020 . 1 . . . . . 66 ALA HB1 . 50623 1 770 . 1 . 1 66 66 ALA HB2 H 1 1.470 0.020 . 1 . . . . . 66 ALA HB2 . 50623 1 771 . 1 . 1 66 66 ALA HB3 H 1 1.470 0.020 . 1 . . . . . 66 ALA HB3 . 50623 1 772 . 1 . 1 66 66 ALA C C 13 177.387 0.400 . 1 . . . . . 66 ALA C . 50623 1 773 . 1 . 1 66 66 ALA CA C 13 54.863 0.400 . 1 . . . . . 66 ALA CA . 50623 1 774 . 1 . 1 66 66 ALA CB C 13 18.203 0.400 . 1 . . . . . 66 ALA CB . 50623 1 775 . 1 . 1 66 66 ALA N N 15 128.836 0.400 . 1 . . . . . 66 ALA N . 50623 1 776 . 1 . 1 67 67 MET H H 1 8.221 0.020 . 1 . . . . . 67 MET H . 50623 1 777 . 1 . 1 67 67 MET HA H 1 4.268 0.020 . 1 . . . . . 67 MET HA . 50623 1 778 . 1 . 1 67 67 MET HB2 H 1 1.960 0.020 . 2 . . . . . 67 MET HB2 . 50623 1 779 . 1 . 1 67 67 MET HB3 H 1 1.960 0.020 . 2 . . . . . 67 MET HB3 . 50623 1 780 . 1 . 1 67 67 MET HG2 H 1 2.472 0.020 . 2 . . . . . 67 MET HG2 . 50623 1 781 . 1 . 1 67 67 MET HG3 H 1 2.599 0.020 . 2 . . . . . 67 MET HG3 . 50623 1 782 . 1 . 1 67 67 MET C C 13 174.828 0.400 . 1 . . . . . 67 MET C . 50623 1 783 . 1 . 1 67 67 MET CA C 13 57.782 0.400 . 1 . . . . . 67 MET CA . 50623 1 784 . 1 . 1 67 67 MET CB C 13 32.390 0.400 . 1 . . . . . 67 MET CB . 50623 1 785 . 1 . 1 67 67 MET CG C 13 32.119 0.400 . 1 . . . . . 67 MET CG . 50623 1 786 . 1 . 1 67 67 MET N N 15 117.655 0.400 . 1 . . . . . 67 MET N . 50623 1 787 . 1 . 1 68 68 ARG H H 1 7.841 0.020 . 1 . . . . . 68 ARG H . 50623 1 788 . 1 . 1 68 68 ARG HA H 1 3.711 0.020 . 1 . . . . . 68 ARG HA . 50623 1 789 . 1 . 1 68 68 ARG HB2 H 1 1.844 0.020 . 2 . . . . . 68 ARG HB2 . 50623 1 790 . 1 . 1 68 68 ARG HB3 H 1 1.955 0.020 . 2 . . . . . 68 ARG HB3 . 50623 1 791 . 1 . 1 68 68 ARG HG2 H 1 1.566 0.020 . 2 . . . . . 68 ARG HG2 . 50623 1 792 . 1 . 1 68 68 ARG HG3 H 1 1.566 0.020 . 2 . . . . . 68 ARG HG3 . 50623 1 793 . 1 . 1 68 68 ARG HD2 H 1 3.303 0.020 . 2 . . . . . 68 ARG HD2 . 50623 1 794 . 1 . 1 68 68 ARG HD3 H 1 3.303 0.020 . 2 . . . . . 68 ARG HD3 . 50623 1 795 . 1 . 1 68 68 ARG C C 13 175.174 0.400 . 1 . . . . . 68 ARG C . 50623 1 796 . 1 . 1 68 68 ARG CA C 13 59.078 0.400 . 1 . . . . . 68 ARG CA . 50623 1 797 . 1 . 1 68 68 ARG CB C 13 29.607 0.400 . 1 . . . . . 68 ARG CB . 50623 1 798 . 1 . 1 68 68 ARG CG C 13 27.344 0.400 . 1 . . . . . 68 ARG CG . 50623 1 799 . 1 . 1 68 68 ARG CD C 13 43.302 0.400 . 1 . . . . . 68 ARG CD . 50623 1 800 . 1 . 1 68 68 ARG N N 15 120.931 0.400 . 1 . . . . . 68 ARG N . 50623 1 801 . 1 . 1 69 69 ASP H H 1 8.119 0.020 . 1 . . . . . 69 ASP H . 50623 1 802 . 1 . 1 69 69 ASP HA H 1 4.261 0.020 . 1 . . . . . 69 ASP HA . 50623 1 803 . 1 . 1 69 69 ASP HB2 H 1 2.707 0.020 . 2 . . . . . 69 ASP HB2 . 50623 1 804 . 1 . 1 69 69 ASP HB3 H 1 2.709 0.020 . 2 . . . . . 69 ASP HB3 . 50623 1 805 . 1 . 1 69 69 ASP C C 13 175.113 0.400 . 1 . . . . . 69 ASP C . 50623 1 806 . 1 . 1 69 69 ASP CA C 13 57.643 0.400 . 1 . . . . . 69 ASP CA . 50623 1 807 . 1 . 1 69 69 ASP CB C 13 40.913 0.400 . 1 . . . . . 69 ASP CB . 50623 1 808 . 1 . 1 69 69 ASP N N 15 118.755 0.400 . 1 . . . . . 69 ASP N . 50623 1 809 . 1 . 1 70 70 GLN H H 1 7.841 0.020 . 1 . . . . . 70 GLN H . 50623 1 810 . 1 . 1 70 70 GLN HA H 1 4.036 0.020 . 1 . . . . . 70 GLN HA . 50623 1 811 . 1 . 1 70 70 GLN HB2 H 1 2.158 0.020 . 2 . . . . . 70 GLN HB2 . 50623 1 812 . 1 . 1 70 70 GLN HB3 H 1 2.158 0.020 . 2 . . . . . 70 GLN HB3 . 50623 1 813 . 1 . 1 70 70 GLN HG2 H 1 2.308 0.020 . 2 . . . . . 70 GLN HG2 . 50623 1 814 . 1 . 1 70 70 GLN HG3 H 1 2.308 0.020 . 2 . . . . . 70 GLN HG3 . 50623 1 815 . 1 . 1 70 70 GLN C C 13 176.718 0.400 . 1 . . . . . 70 GLN C . 50623 1 816 . 1 . 1 70 70 GLN CA C 13 59.189 0.400 . 1 . . . . . 70 GLN CA . 50623 1 817 . 1 . 1 70 70 GLN CB C 13 28.140 0.400 . 1 . . . . . 70 GLN CB . 50623 1 818 . 1 . 1 70 70 GLN CG C 13 33.585 0.400 . 1 . . . . . 70 GLN CG . 50623 1 819 . 1 . 1 70 70 GLN N N 15 117.588 0.400 . 1 . . . . . 70 GLN N . 50623 1 820 . 1 . 1 71 71 TYR H H 1 8.204 0.020 . 1 . . . . . 71 TYR H . 50623 1 821 . 1 . 1 71 71 TYR HA H 1 4.212 0.020 . 1 . . . . . 71 TYR HA . 50623 1 822 . 1 . 1 71 71 TYR HB2 H 1 2.844 0.020 . 2 . . . . . 71 TYR HB2 . 50623 1 823 . 1 . 1 71 71 TYR HB3 H 1 3.081 0.020 . 2 . . . . . 71 TYR HB3 . 50623 1 824 . 1 . 1 71 71 TYR HD1 H 1 7.025 0.020 . 1 . . . . . 71 TYR HD1 . 50623 1 825 . 1 . 1 71 71 TYR HD2 H 1 7.025 0.020 . 1 . . . . . 71 TYR HD2 . 50623 1 826 . 1 . 1 71 71 TYR HE1 H 1 6.743 0.020 . 1 . . . . . 71 TYR HE1 . 50623 1 827 . 1 . 1 71 71 TYR HE2 H 1 6.743 0.020 . 1 . . . . . 71 TYR HE2 . 50623 1 828 . 1 . 1 71 71 TYR C C 13 176.042 0.400 . 1 . . . . . 71 TYR C . 50623 1 829 . 1 . 1 71 71 TYR CA C 13 60.880 0.400 . 1 . . . . . 71 TYR CA . 50623 1 830 . 1 . 1 71 71 TYR CB C 13 38.003 0.400 . 1 . . . . . 71 TYR CB . 50623 1 831 . 1 . 1 71 71 TYR N N 15 119.817 0.400 . 1 . . . . . 71 TYR N . 50623 1 832 . 1 . 1 72 72 MET H H 1 8.504 0.020 . 1 . . . . . 72 MET H . 50623 1 833 . 1 . 1 72 72 MET HA H 1 4.482 0.020 . 1 . . . . . 72 MET HA . 50623 1 834 . 1 . 1 72 72 MET HB2 H 1 1.939 0.020 . 2 . . . . . 72 MET HB2 . 50623 1 835 . 1 . 1 72 72 MET HB3 H 1 2.370 0.020 . 2 . . . . . 72 MET HB3 . 50623 1 836 . 1 . 1 72 72 MET HG2 H 1 2.574 0.020 . 2 . . . . . 72 MET HG2 . 50623 1 837 . 1 . 1 72 72 MET HG3 H 1 2.872 0.020 . 2 . . . . . 72 MET HG3 . 50623 1 838 . 1 . 1 72 72 MET C C 13 174.606 0.400 . 1 . . . . . 72 MET C . 50623 1 839 . 1 . 1 72 72 MET CA C 13 58.456 0.400 . 1 . . . . . 72 MET CA . 50623 1 840 . 1 . 1 72 72 MET CB C 13 31.707 0.400 . 1 . . . . . 72 MET CB . 50623 1 841 . 1 . 1 72 72 MET CG C 13 31.724 0.400 . 1 . . . . . 72 MET CG . 50623 1 842 . 1 . 1 72 72 MET N N 15 118.854 0.400 . 1 . . . . . 72 MET N . 50623 1 843 . 1 . 1 73 73 ARG H H 1 7.971 0.020 . 1 . . . . . 73 ARG H . 50623 1 844 . 1 . 1 73 73 ARG HA H 1 3.950 0.020 . 1 . . . . . 73 ARG HA . 50623 1 845 . 1 . 1 73 73 ARG HB2 H 1 1.908 0.020 . 2 . . . . . 73 ARG HB2 . 50623 1 846 . 1 . 1 73 73 ARG HB3 H 1 1.908 0.020 . 2 . . . . . 73 ARG HB3 . 50623 1 847 . 1 . 1 73 73 ARG HG2 H 1 1.635 0.020 . 2 . . . . . 73 ARG HG2 . 50623 1 848 . 1 . 1 73 73 ARG HG3 H 1 1.638 0.020 . 2 . . . . . 73 ARG HG3 . 50623 1 849 . 1 . 1 73 73 ARG HD2 H 1 3.210 0.020 . 2 . . . . . 73 ARG HD2 . 50623 1 850 . 1 . 1 73 73 ARG HD3 H 1 3.210 0.020 . 2 . . . . . 73 ARG HD3 . 50623 1 851 . 1 . 1 73 73 ARG C C 13 176.296 0.400 . 1 . . . . . 73 ARG C . 50623 1 852 . 1 . 1 73 73 ARG CA C 13 59.728 0.400 . 1 . . . . . 73 ARG CA . 50623 1 853 . 1 . 1 73 73 ARG CB C 13 30.801 0.400 . 1 . . . . . 73 ARG CB . 50623 1 854 . 1 . 1 73 73 ARG CG C 13 28.750 0.400 . 1 . . . . . 73 ARG CG . 50623 1 855 . 1 . 1 73 73 ARG CD C 13 43.458 0.400 . 1 . . . . . 73 ARG CD . 50623 1 856 . 1 . 1 73 73 ARG N N 15 115.774 0.400 . 1 . . . . . 73 ARG N . 50623 1 857 . 1 . 1 74 74 THR H H 1 7.918 0.020 . 1 . . . . . 74 THR H . 50623 1 858 . 1 . 1 74 74 THR HA H 1 4.267 0.020 . 1 . . . . . 74 THR HA . 50623 1 859 . 1 . 1 74 74 THR HB H 1 4.267 0.020 . 1 . . . . . 74 THR HB . 50623 1 860 . 1 . 1 74 74 THR HG21 H 1 1.217 0.020 . 1 . . . . . 74 THR HG21 . 50623 1 861 . 1 . 1 74 74 THR HG22 H 1 1.217 0.020 . 1 . . . . . 74 THR HG22 . 50623 1 862 . 1 . 1 74 74 THR HG23 H 1 1.217 0.020 . 1 . . . . . 74 THR HG23 . 50623 1 863 . 1 . 1 74 74 THR C C 13 172.953 0.400 . 1 . . . . . 74 THR C . 50623 1 864 . 1 . 1 74 74 THR CA C 13 62.563 0.400 . 1 . . . . . 74 THR CA . 50623 1 865 . 1 . 1 74 74 THR CB C 13 70.041 0.400 . 1 . . . . . 74 THR CB . 50623 1 866 . 1 . 1 74 74 THR CG2 C 13 21.725 0.400 . 1 . . . . . 74 THR CG2 . 50623 1 867 . 1 . 1 74 74 THR N N 15 108.268 0.400 . 1 . . . . . 74 THR N . 50623 1 868 . 1 . 1 75 75 GLY H H 1 7.963 0.020 . 1 . . . . . 75 GLY H . 50623 1 869 . 1 . 1 75 75 GLY HA2 H 1 3.331 0.020 . 2 . . . . . 75 GLY HA2 . 50623 1 870 . 1 . 1 75 75 GLY HA3 H 1 3.493 0.020 . 2 . . . . . 75 GLY HA3 . 50623 1 871 . 1 . 1 75 75 GLY C C 13 170.053 0.400 . 1 . . . . . 75 GLY C . 50623 1 872 . 1 . 1 75 75 GLY CA C 13 46.235 0.400 . 1 . . . . . 75 GLY CA . 50623 1 873 . 1 . 1 75 75 GLY N N 15 110.975 0.400 . 1 . . . . . 75 GLY N . 50623 1 874 . 1 . 1 76 76 GLU H H 1 8.873 0.020 . 1 . . . . . 76 GLU H . 50623 1 875 . 1 . 1 76 76 GLU HA H 1 4.472 0.020 . 1 . . . . . 76 GLU HA . 50623 1 876 . 1 . 1 76 76 GLU HB2 H 1 2.171 0.020 . 2 . . . . . 76 GLU HB2 . 50623 1 877 . 1 . 1 76 76 GLU HB3 H 1 2.357 0.020 . 2 . . . . . 76 GLU HB3 . 50623 1 878 . 1 . 1 76 76 GLU HG2 H 1 2.526 0.020 . 2 . . . . . 76 GLU HG2 . 50623 1 879 . 1 . 1 76 76 GLU HG3 H 1 2.526 0.020 . 2 . . . . . 76 GLU HG3 . 50623 1 880 . 1 . 1 76 76 GLU C C 13 173.817 0.400 . 1 . . . . . 76 GLU C . 50623 1 881 . 1 . 1 76 76 GLU CA C 13 56.827 0.400 . 1 . . . . . 76 GLU CA . 50623 1 882 . 1 . 1 76 76 GLU CB C 13 32.715 0.400 . 1 . . . . . 76 GLU CB . 50623 1 883 . 1 . 1 76 76 GLU CG C 13 38.632 0.400 . 1 . . . . . 76 GLU CG . 50623 1 884 . 1 . 1 76 76 GLU N N 15 121.885 0.400 . 1 . . . . . 76 GLU N . 50623 1 885 . 1 . 1 77 77 GLY H H 1 7.177 0.020 . 1 . . . . . 77 GLY H . 50623 1 886 . 1 . 1 77 77 GLY HA2 H 1 3.151 0.020 . 2 . . . . . 77 GLY HA2 . 50623 1 887 . 1 . 1 77 77 GLY HA3 H 1 3.151 0.020 . 2 . . . . . 77 GLY HA3 . 50623 1 888 . 1 . 1 77 77 GLY C C 13 167.951 0.400 . 1 . . . . . 77 GLY C . 50623 1 889 . 1 . 1 77 77 GLY CA C 13 45.549 0.400 . 1 . . . . . 77 GLY CA . 50623 1 890 . 1 . 1 77 77 GLY N N 15 100.909 0.400 . 1 . . . . . 77 GLY N . 50623 1 891 . 1 . 1 78 78 PHE H H 1 8.167 0.020 . 1 . . . . . 78 PHE H . 50623 1 892 . 1 . 1 78 78 PHE HA H 1 5.400 0.020 . 1 . . . . . 78 PHE HA . 50623 1 893 . 1 . 1 78 78 PHE HB2 H 1 2.727 0.020 . 2 . . . . . 78 PHE HB2 . 50623 1 894 . 1 . 1 78 78 PHE HB3 H 1 2.720 0.020 . 2 . . . . . 78 PHE HB3 . 50623 1 895 . 1 . 1 78 78 PHE HD1 H 1 7.040 0.020 . 1 . . . . . 78 PHE HD1 . 50623 1 896 . 1 . 1 78 78 PHE HD2 H 1 7.040 0.020 . 1 . . . . . 78 PHE HD2 . 50623 1 897 . 1 . 1 78 78 PHE C C 13 170.954 0.400 . 1 . . . . . 78 PHE C . 50623 1 898 . 1 . 1 78 78 PHE CA C 13 56.767 0.400 . 1 . . . . . 78 PHE CA . 50623 1 899 . 1 . 1 78 78 PHE CB C 13 42.834 0.400 . 1 . . . . . 78 PHE CB . 50623 1 900 . 1 . 1 78 78 PHE N N 15 121.350 0.400 . 1 . . . . . 78 PHE N . 50623 1 901 . 1 . 1 79 79 LEU H H 1 9.215 0.020 . 1 . . . . . 79 LEU H . 50623 1 902 . 1 . 1 79 79 LEU HA H 1 4.668 0.020 . 1 . . . . . 79 LEU HA . 50623 1 903 . 1 . 1 79 79 LEU HB2 H 1 1.112 0.020 . 2 . . . . . 79 LEU HB2 . 50623 1 904 . 1 . 1 79 79 LEU HB3 H 1 1.674 0.020 . 2 . . . . . 79 LEU HB3 . 50623 1 905 . 1 . 1 79 79 LEU HG H 1 1.093 0.020 . 1 . . . . . 79 LEU HG . 50623 1 906 . 1 . 1 79 79 LEU HD11 H 1 0.128 0.020 . 2 . . . . . 79 LEU HD11 . 50623 1 907 . 1 . 1 79 79 LEU HD12 H 1 0.128 0.020 . 2 . . . . . 79 LEU HD12 . 50623 1 908 . 1 . 1 79 79 LEU HD13 H 1 0.128 0.020 . 2 . . . . . 79 LEU HD13 . 50623 1 909 . 1 . 1 79 79 LEU HD21 H 1 0.128 0.020 . 2 . . . . . 79 LEU HD21 . 50623 1 910 . 1 . 1 79 79 LEU HD22 H 1 0.128 0.020 . 2 . . . . . 79 LEU HD22 . 50623 1 911 . 1 . 1 79 79 LEU HD23 H 1 0.128 0.020 . 2 . . . . . 79 LEU HD23 . 50623 1 912 . 1 . 1 79 79 LEU C C 13 172.045 0.400 . 1 . . . . . 79 LEU C . 50623 1 913 . 1 . 1 79 79 LEU CA C 13 53.867 0.400 . 1 . . . . . 79 LEU CA . 50623 1 914 . 1 . 1 79 79 LEU CB C 13 43.317 0.400 . 1 . . . . . 79 LEU CB . 50623 1 915 . 1 . 1 79 79 LEU CG C 13 27.033 0.400 . 1 . . . . . 79 LEU CG . 50623 1 916 . 1 . 1 79 79 LEU CD1 C 13 25.341 0.400 . 2 . . . . . 79 LEU CD1 . 50623 1 917 . 1 . 1 79 79 LEU CD2 C 13 27.033 0.400 . 2 . . . . . 79 LEU CD2 . 50623 1 918 . 1 . 1 79 79 LEU N N 15 126.953 0.400 . 1 . . . . . 79 LEU N . 50623 1 919 . 1 . 1 80 80 CYS H H 1 8.724 0.020 . 1 . . . . . 80 CYS H . 50623 1 920 . 1 . 1 80 80 CYS HA H 1 4.695 0.020 . 1 . . . . . 80 CYS HA . 50623 1 921 . 1 . 1 80 80 CYS HB2 H 1 2.638 0.020 . 2 . . . . . 80 CYS HB2 . 50623 1 922 . 1 . 1 80 80 CYS HB3 H 1 2.955 0.020 . 2 . . . . . 80 CYS HB3 . 50623 1 923 . 1 . 1 80 80 CYS C C 13 170.079 0.400 . 1 . . . . . 80 CYS C . 50623 1 924 . 1 . 1 80 80 CYS CA C 13 57.721 0.400 . 1 . . . . . 80 CYS CA . 50623 1 925 . 1 . 1 80 80 CYS CB C 13 27.675 0.400 . 1 . . . . . 80 CYS CB . 50623 1 926 . 1 . 1 80 80 CYS N N 15 124.786 0.400 . 1 . . . . . 80 CYS N . 50623 1 927 . 1 . 1 81 81 VAL H H 1 8.958 0.020 . 1 . . . . . 81 VAL H . 50623 1 928 . 1 . 1 81 81 VAL HA H 1 4.956 0.020 . 1 . . . . . 81 VAL HA . 50623 1 929 . 1 . 1 81 81 VAL HB H 1 1.781 0.020 . 1 . . . . . 81 VAL HB . 50623 1 930 . 1 . 1 81 81 VAL HG11 H 1 0.593 0.020 . 2 . . . . . 81 VAL HG11 . 50623 1 931 . 1 . 1 81 81 VAL HG12 H 1 0.593 0.020 . 2 . . . . . 81 VAL HG12 . 50623 1 932 . 1 . 1 81 81 VAL HG13 H 1 0.593 0.020 . 2 . . . . . 81 VAL HG13 . 50623 1 933 . 1 . 1 81 81 VAL HG21 H 1 0.593 0.020 . 2 . . . . . 81 VAL HG21 . 50623 1 934 . 1 . 1 81 81 VAL HG22 H 1 0.593 0.020 . 2 . . . . . 81 VAL HG22 . 50623 1 935 . 1 . 1 81 81 VAL HG23 H 1 0.593 0.020 . 2 . . . . . 81 VAL HG23 . 50623 1 936 . 1 . 1 81 81 VAL C C 13 172.318 0.400 . 1 . . . . . 81 VAL C . 50623 1 937 . 1 . 1 81 81 VAL CA C 13 61.353 0.400 . 1 . . . . . 81 VAL CA . 50623 1 938 . 1 . 1 81 81 VAL CB C 13 33.380 0.400 . 1 . . . . . 81 VAL CB . 50623 1 939 . 1 . 1 81 81 VAL CG1 C 13 22.240 0.400 . 2 . . . . . 81 VAL CG1 . 50623 1 940 . 1 . 1 81 81 VAL CG2 C 13 22.240 0.400 . 2 . . . . . 81 VAL CG2 . 50623 1 941 . 1 . 1 81 81 VAL N N 15 126.223 0.400 . 1 . . . . . 81 VAL N . 50623 1 942 . 1 . 1 82 82 PHE H H 1 9.287 0.020 . 1 . . . . . 82 PHE H . 50623 1 943 . 1 . 1 82 82 PHE HA H 1 4.995 0.020 . 1 . . . . . 82 PHE HA . 50623 1 944 . 1 . 1 82 82 PHE HB2 H 1 2.909 0.020 . 2 . . . . . 82 PHE HB2 . 50623 1 945 . 1 . 1 82 82 PHE HB3 H 1 3.651 0.020 . 2 . . . . . 82 PHE HB3 . 50623 1 946 . 1 . 1 82 82 PHE HD1 H 1 7.278 0.020 . 1 . . . . . 82 PHE HD1 . 50623 1 947 . 1 . 1 82 82 PHE HD2 H 1 7.278 0.020 . 1 . . . . . 82 PHE HD2 . 50623 1 948 . 1 . 1 82 82 PHE C C 13 168.469 0.400 . 1 . . . . . 82 PHE C . 50623 1 949 . 1 . 1 82 82 PHE CA C 13 55.279 0.400 . 1 . . . . . 82 PHE CA . 50623 1 950 . 1 . 1 82 82 PHE CB C 13 40.725 0.400 . 1 . . . . . 82 PHE CB . 50623 1 951 . 1 . 1 82 82 PHE N N 15 123.694 0.400 . 1 . . . . . 82 PHE N . 50623 1 952 . 1 . 1 83 83 ALA H H 1 8.778 0.020 . 1 . . . . . 83 ALA H . 50623 1 953 . 1 . 1 83 83 ALA HA H 1 5.046 0.020 . 1 . . . . . 83 ALA HA . 50623 1 954 . 1 . 1 83 83 ALA HB1 H 1 1.477 0.020 . 1 . . . . . 83 ALA HB1 . 50623 1 955 . 1 . 1 83 83 ALA HB2 H 1 1.477 0.020 . 1 . . . . . 83 ALA HB2 . 50623 1 956 . 1 . 1 83 83 ALA HB3 H 1 1.477 0.020 . 1 . . . . . 83 ALA HB3 . 50623 1 957 . 1 . 1 83 83 ALA C C 13 176.590 0.400 . 1 . . . . . 83 ALA C . 50623 1 958 . 1 . 1 83 83 ALA CA C 13 49.757 0.400 . 1 . . . . . 83 ALA CA . 50623 1 959 . 1 . 1 83 83 ALA CB C 13 21.595 0.400 . 1 . . . . . 83 ALA CB . 50623 1 960 . 1 . 1 83 83 ALA N N 15 121.547 0.400 . 1 . . . . . 83 ALA N . 50623 1 961 . 1 . 1 84 84 ILE H H 1 8.485 0.020 . 1 . . . . . 84 ILE H . 50623 1 962 . 1 . 1 84 84 ILE HA H 1 4.033 0.020 . 1 . . . . . 84 ILE HA . 50623 1 963 . 1 . 1 84 84 ILE HB H 1 2.332 0.020 . 1 . . . . . 84 ILE HB . 50623 1 964 . 1 . 1 84 84 ILE HG12 H 1 1.090 0.020 . 2 . . . . . 84 ILE HG12 . 50623 1 965 . 1 . 1 84 84 ILE HG13 H 1 1.090 0.020 . 2 . . . . . 84 ILE HG13 . 50623 1 966 . 1 . 1 84 84 ILE HG21 H 1 0.851 0.020 . 1 . . . . . 84 ILE HG21 . 50623 1 967 . 1 . 1 84 84 ILE HG22 H 1 0.851 0.020 . 1 . . . . . 84 ILE HG22 . 50623 1 968 . 1 . 1 84 84 ILE HG23 H 1 0.851 0.020 . 1 . . . . . 84 ILE HG23 . 50623 1 969 . 1 . 1 84 84 ILE HD11 H 1 0.851 0.020 . 1 . . . . . 84 ILE HD11 . 50623 1 970 . 1 . 1 84 84 ILE HD12 H 1 0.851 0.020 . 1 . . . . . 84 ILE HD12 . 50623 1 971 . 1 . 1 84 84 ILE HD13 H 1 0.851 0.020 . 1 . . . . . 84 ILE HD13 . 50623 1 972 . 1 . 1 84 84 ILE C C 13 171.403 0.400 . 1 . . . . . 84 ILE C . 50623 1 973 . 1 . 1 84 84 ILE CA C 13 63.365 0.400 . 1 . . . . . 84 ILE CA . 50623 1 974 . 1 . 1 84 84 ILE CB C 13 38.270 0.400 . 1 . . . . . 84 ILE CB . 50623 1 975 . 1 . 1 84 84 ILE CG1 C 13 27.261 0.400 . 1 . . . . . 84 ILE CG1 . 50623 1 976 . 1 . 1 84 84 ILE CG2 C 13 20.201 0.400 . 1 . . . . . 84 ILE CG2 . 50623 1 977 . 1 . 1 84 84 ILE CD1 C 13 15.211 0.400 . 1 . . . . . 84 ILE CD1 . 50623 1 978 . 1 . 1 84 84 ILE N N 15 113.811 0.400 . 1 . . . . . 84 ILE N . 50623 1 979 . 1 . 1 85 85 ASN H H 1 7.892 0.020 . 1 . . . . . 85 ASN H . 50623 1 980 . 1 . 1 85 85 ASN HA H 1 5.031 0.020 . 1 . . . . . 85 ASN HA . 50623 1 981 . 1 . 1 85 85 ASN HB2 H 1 2.382 0.020 . 2 . . . . . 85 ASN HB2 . 50623 1 982 . 1 . 1 85 85 ASN HB3 H 1 3.288 0.020 . 2 . . . . . 85 ASN HB3 . 50623 1 983 . 1 . 1 85 85 ASN C C 13 172.853 0.400 . 1 . . . . . 85 ASN C . 50623 1 984 . 1 . 1 85 85 ASN CA C 13 52.121 0.400 . 1 . . . . . 85 ASN CA . 50623 1 985 . 1 . 1 85 85 ASN CB C 13 38.361 0.400 . 1 . . . . . 85 ASN CB . 50623 1 986 . 1 . 1 85 85 ASN N N 15 117.062 0.400 . 1 . . . . . 85 ASN N . 50623 1 987 . 1 . 1 86 86 ASN H H 1 7.868 0.020 . 1 . . . . . 86 ASN H . 50623 1 988 . 1 . 1 86 86 ASN HA H 1 5.123 0.020 . 1 . . . . . 86 ASN HA . 50623 1 989 . 1 . 1 86 86 ASN HB2 H 1 2.448 0.020 . 2 . . . . . 86 ASN HB2 . 50623 1 990 . 1 . 1 86 86 ASN HB3 H 1 3.154 0.020 . 2 . . . . . 86 ASN HB3 . 50623 1 991 . 1 . 1 86 86 ASN HD21 H 1 7.147 0.020 . 2 . . . . . 86 ASN HD21 . 50623 1 992 . 1 . 1 86 86 ASN HD22 H 1 7.979 0.020 . 2 . . . . . 86 ASN HD22 . 50623 1 993 . 1 . 1 86 86 ASN C C 13 172.308 0.400 . 1 . . . . . 86 ASN C . 50623 1 994 . 1 . 1 86 86 ASN CA C 13 52.350 0.400 . 1 . . . . . 86 ASN CA . 50623 1 995 . 1 . 1 86 86 ASN CB C 13 39.588 0.400 . 1 . . . . . 86 ASN CB . 50623 1 996 . 1 . 1 86 86 ASN N N 15 119.281 0.400 . 1 . . . . . 86 ASN N . 50623 1 997 . 1 . 1 86 86 ASN ND2 N 15 112.964 0.400 . 1 . . . . . 86 ASN ND2 . 50623 1 998 . 1 . 1 87 87 THR H H 1 9.215 0.020 . 1 . . . . . 87 THR H . 50623 1 999 . 1 . 1 87 87 THR HA H 1 3.778 0.020 . 1 . . . . . 87 THR HA . 50623 1 1000 . 1 . 1 87 87 THR HB H 1 4.159 0.020 . 1 . . . . . 87 THR HB . 50623 1 1001 . 1 . 1 87 87 THR HG21 H 1 1.280 0.020 . 1 . . . . . 87 THR HG21 . 50623 1 1002 . 1 . 1 87 87 THR HG22 H 1 1.280 0.020 . 1 . . . . . 87 THR HG22 . 50623 1 1003 . 1 . 1 87 87 THR HG23 H 1 1.280 0.020 . 1 . . . . . 87 THR HG23 . 50623 1 1004 . 1 . 1 87 87 THR C C 13 173.514 0.400 . 1 . . . . . 87 THR C . 50623 1 1005 . 1 . 1 87 87 THR CA C 13 66.782 0.400 . 1 . . . . . 87 THR CA . 50623 1 1006 . 1 . 1 87 87 THR CB C 13 68.426 0.400 . 1 . . . . . 87 THR CB . 50623 1 1007 . 1 . 1 87 87 THR CG2 C 13 22.878 0.400 . 1 . . . . . 87 THR CG2 . 50623 1 1008 . 1 . 1 87 87 THR N N 15 124.447 0.400 . 1 . . . . . 87 THR N . 50623 1 1009 . 1 . 1 88 88 LYS H H 1 8.430 0.020 . 1 . . . . . 88 LYS H . 50623 1 1010 . 1 . 1 88 88 LYS HA H 1 4.155 0.020 . 1 . . . . . 88 LYS HA . 50623 1 1011 . 1 . 1 88 88 LYS HB2 H 1 1.996 0.020 . 2 . . . . . 88 LYS HB2 . 50623 1 1012 . 1 . 1 88 88 LYS HB3 H 1 1.996 0.020 . 2 . . . . . 88 LYS HB3 . 50623 1 1013 . 1 . 1 88 88 LYS HG2 H 1 1.518 0.020 . 2 . . . . . 88 LYS HG2 . 50623 1 1014 . 1 . 1 88 88 LYS HG3 H 1 1.518 0.020 . 2 . . . . . 88 LYS HG3 . 50623 1 1015 . 1 . 1 88 88 LYS HD2 H 1 1.732 0.020 . 2 . . . . . 88 LYS HD2 . 50623 1 1016 . 1 . 1 88 88 LYS HD3 H 1 1.732 0.020 . 2 . . . . . 88 LYS HD3 . 50623 1 1017 . 1 . 1 88 88 LYS HE2 H 1 3.063 0.020 . 2 . . . . . 88 LYS HE2 . 50623 1 1018 . 1 . 1 88 88 LYS HE3 H 1 3.063 0.020 . 2 . . . . . 88 LYS HE3 . 50623 1 1019 . 1 . 1 88 88 LYS C C 13 175.475 0.400 . 1 . . . . . 88 LYS C . 50623 1 1020 . 1 . 1 88 88 LYS CA C 13 59.568 0.400 . 1 . . . . . 88 LYS CA . 50623 1 1021 . 1 . 1 88 88 LYS CB C 13 31.340 0.400 . 1 . . . . . 88 LYS CB . 50623 1 1022 . 1 . 1 88 88 LYS CG C 13 24.984 0.400 . 1 . . . . . 88 LYS CG . 50623 1 1023 . 1 . 1 88 88 LYS CD C 13 28.713 0.400 . 1 . . . . . 88 LYS CD . 50623 1 1024 . 1 . 1 88 88 LYS CE C 13 42.654 0.400 . 1 . . . . . 88 LYS CE . 50623 1 1025 . 1 . 1 88 88 LYS N N 15 124.144 0.400 . 1 . . . . . 88 LYS N . 50623 1 1026 . 1 . 1 89 89 SER H H 1 8.086 0.020 . 1 . . . . . 89 SER H . 50623 1 1027 . 1 . 1 89 89 SER HA H 1 4.202 0.020 . 1 . . . . . 89 SER HA . 50623 1 1028 . 1 . 1 89 89 SER HB2 H 1 4.056 0.020 . 2 . . . . . 89 SER HB2 . 50623 1 1029 . 1 . 1 89 89 SER HB3 H 1 4.465 0.020 . 2 . . . . . 89 SER HB3 . 50623 1 1030 . 1 . 1 89 89 SER C C 13 173.123 0.400 . 1 . . . . . 89 SER C . 50623 1 1031 . 1 . 1 89 89 SER CA C 13 61.741 0.400 . 1 . . . . . 89 SER CA . 50623 1 1032 . 1 . 1 89 89 SER CB C 13 63.740 0.400 . 1 . . . . . 89 SER CB . 50623 1 1033 . 1 . 1 89 89 SER N N 15 114.546 0.400 . 1 . . . . . 89 SER N . 50623 1 1034 . 1 . 1 90 90 PHE H H 1 7.417 0.020 . 1 . . . . . 90 PHE H . 50623 1 1035 . 1 . 1 90 90 PHE HA H 1 4.036 0.020 . 1 . . . . . 90 PHE HA . 50623 1 1036 . 1 . 1 90 90 PHE HB2 H 1 2.706 0.020 . 2 . . . . . 90 PHE HB2 . 50623 1 1037 . 1 . 1 90 90 PHE HB3 H 1 3.237 0.020 . 2 . . . . . 90 PHE HB3 . 50623 1 1038 . 1 . 1 90 90 PHE HD1 H 1 5.960 0.020 . 1 . . . . . 90 PHE HD1 . 50623 1 1039 . 1 . 1 90 90 PHE HD2 H 1 5.960 0.020 . 1 . . . . . 90 PHE HD2 . 50623 1 1040 . 1 . 1 90 90 PHE HE1 H 1 6.573 0.020 . 1 . . . . . 90 PHE HE1 . 50623 1 1041 . 1 . 1 90 90 PHE HE2 H 1 6.573 0.020 . 1 . . . . . 90 PHE HE2 . 50623 1 1042 . 1 . 1 90 90 PHE C C 13 174.648 0.400 . 1 . . . . . 90 PHE C . 50623 1 1043 . 1 . 1 90 90 PHE CA C 13 59.871 0.400 . 1 . . . . . 90 PHE CA . 50623 1 1044 . 1 . 1 90 90 PHE CB C 13 40.300 0.400 . 1 . . . . . 90 PHE CB . 50623 1 1045 . 1 . 1 90 90 PHE N N 15 124.764 0.400 . 1 . . . . . 90 PHE N . 50623 1 1046 . 1 . 1 91 91 GLU H H 1 8.463 0.020 . 1 . . . . . 91 GLU H . 50623 1 1047 . 1 . 1 91 91 GLU HA H 1 3.781 0.020 . 1 . . . . . 91 GLU HA . 50623 1 1048 . 1 . 1 91 91 GLU HB2 H 1 2.107 0.020 . 2 . . . . . 91 GLU HB2 . 50623 1 1049 . 1 . 1 91 91 GLU HB3 H 1 2.246 0.020 . 2 . . . . . 91 GLU HB3 . 50623 1 1050 . 1 . 1 91 91 GLU HG2 H 1 2.252 0.020 . 2 . . . . . 91 GLU HG2 . 50623 1 1051 . 1 . 1 91 91 GLU HG3 H 1 2.525 0.020 . 2 . . . . . 91 GLU HG3 . 50623 1 1052 . 1 . 1 91 91 GLU C C 13 176.776 0.400 . 1 . . . . . 91 GLU C . 50623 1 1053 . 1 . 1 91 91 GLU CA C 13 59.109 0.400 . 1 . . . . . 91 GLU CA . 50623 1 1054 . 1 . 1 91 91 GLU CB C 13 29.139 0.400 . 1 . . . . . 91 GLU CB . 50623 1 1055 . 1 . 1 91 91 GLU CG C 13 36.452 0.400 . 1 . . . . . 91 GLU CG . 50623 1 1056 . 1 . 1 91 91 GLU N N 15 121.801 0.400 . 1 . . . . . 91 GLU N . 50623 1 1057 . 1 . 1 92 92 ASP H H 1 8.418 0.020 . 1 . . . . . 92 ASP H . 50623 1 1058 . 1 . 1 92 92 ASP HA H 1 4.512 0.020 . 1 . . . . . 92 ASP HA . 50623 1 1059 . 1 . 1 92 92 ASP HB2 H 1 2.893 0.020 . 2 . . . . . 92 ASP HB2 . 50623 1 1060 . 1 . 1 92 92 ASP HB3 H 1 2.893 0.020 . 2 . . . . . 92 ASP HB3 . 50623 1 1061 . 1 . 1 92 92 ASP C C 13 175.191 0.400 . 1 . . . . . 92 ASP C . 50623 1 1062 . 1 . 1 92 92 ASP CA C 13 56.037 0.400 . 1 . . . . . 92 ASP CA . 50623 1 1063 . 1 . 1 92 92 ASP CB C 13 41.159 0.400 . 1 . . . . . 92 ASP CB . 50623 1 1064 . 1 . 1 92 92 ASP N N 15 116.919 0.400 . 1 . . . . . 92 ASP N . 50623 1 1065 . 1 . 1 93 93 ILE H H 1 7.631 0.020 . 1 . . . . . 93 ILE H . 50623 1 1066 . 1 . 1 93 93 ILE HA H 1 3.923 0.020 . 1 . . . . . 93 ILE HA . 50623 1 1067 . 1 . 1 93 93 ILE HB H 1 2.192 0.020 . 1 . . . . . 93 ILE HB . 50623 1 1068 . 1 . 1 93 93 ILE HG12 H 1 0.885 0.020 . 2 . . . . . 93 ILE HG12 . 50623 1 1069 . 1 . 1 93 93 ILE HG13 H 1 0.885 0.020 . 2 . . . . . 93 ILE HG13 . 50623 1 1070 . 1 . 1 93 93 ILE HG21 H 1 1.439 0.020 . 1 . . . . . 93 ILE HG21 . 50623 1 1071 . 1 . 1 93 93 ILE HG22 H 1 1.439 0.020 . 1 . . . . . 93 ILE HG22 . 50623 1 1072 . 1 . 1 93 93 ILE HG23 H 1 1.439 0.020 . 1 . . . . . 93 ILE HG23 . 50623 1 1073 . 1 . 1 93 93 ILE HD11 H 1 0.885 0.020 . 1 . . . . . 93 ILE HD11 . 50623 1 1074 . 1 . 1 93 93 ILE HD12 H 1 0.885 0.020 . 1 . . . . . 93 ILE HD12 . 50623 1 1075 . 1 . 1 93 93 ILE HD13 H 1 0.885 0.020 . 1 . . . . . 93 ILE HD13 . 50623 1 1076 . 1 . 1 93 93 ILE C C 13 174.971 0.400 . 1 . . . . . 93 ILE C . 50623 1 1077 . 1 . 1 93 93 ILE CA C 13 62.700 0.400 . 1 . . . . . 93 ILE CA . 50623 1 1078 . 1 . 1 93 93 ILE CB C 13 34.230 0.400 . 1 . . . . . 93 ILE CB . 50623 1 1079 . 1 . 1 93 93 ILE CG1 C 13 26.846 0.400 . 1 . . . . . 93 ILE CG1 . 50623 1 1080 . 1 . 1 93 93 ILE CG2 C 13 19.970 0.400 . 1 . . . . . 93 ILE CG2 . 50623 1 1081 . 1 . 1 93 93 ILE CD1 C 13 17.490 0.400 . 1 . . . . . 93 ILE CD1 . 50623 1 1082 . 1 . 1 93 93 ILE N N 15 120.967 0.400 . 1 . . . . . 93 ILE N . 50623 1 1083 . 1 . 1 94 94 HIS H H 1 7.916 0.020 . 1 . . . . . 94 HIS H . 50623 1 1084 . 1 . 1 94 94 HIS HA H 1 4.257 0.020 . 1 . . . . . 94 HIS HA . 50623 1 1085 . 1 . 1 94 94 HIS HB2 H 1 3.043 0.020 . 2 . . . . . 94 HIS HB2 . 50623 1 1086 . 1 . 1 94 94 HIS HB3 H 1 3.201 0.020 . 2 . . . . . 94 HIS HB3 . 50623 1 1087 . 1 . 1 94 94 HIS C C 13 174.304 0.400 . 1 . . . . . 94 HIS C . 50623 1 1088 . 1 . 1 94 94 HIS CA C 13 59.529 0.400 . 1 . . . . . 94 HIS CA . 50623 1 1089 . 1 . 1 94 94 HIS CB C 13 29.668 0.400 . 1 . . . . . 94 HIS CB . 50623 1 1090 . 1 . 1 94 94 HIS N N 15 116.371 0.400 . 1 . . . . . 94 HIS N . 50623 1 1091 . 1 . 1 95 95 HIS H H 1 7.312 0.020 . 1 . . . . . 95 HIS H . 50623 1 1092 . 1 . 1 95 95 HIS HA H 1 4.264 0.020 . 1 . . . . . 95 HIS HA . 50623 1 1093 . 1 . 1 95 95 HIS HB2 H 1 3.024 0.020 . 2 . . . . . 95 HIS HB2 . 50623 1 1094 . 1 . 1 95 95 HIS HB3 H 1 3.024 0.020 . 2 . . . . . 95 HIS HB3 . 50623 1 1095 . 1 . 1 95 95 HIS C C 13 175.123 0.400 . 1 . . . . . 95 HIS C . 50623 1 1096 . 1 . 1 95 95 HIS CA C 13 58.300 0.400 . 1 . . . . . 95 HIS CA . 50623 1 1097 . 1 . 1 95 95 HIS CB C 13 28.530 0.400 . 1 . . . . . 95 HIS CB . 50623 1 1098 . 1 . 1 95 95 HIS N N 15 117.315 0.400 . 1 . . . . . 95 HIS N . 50623 1 1099 . 1 . 1 96 96 TYR H H 1 7.589 0.020 . 1 . . . . . 96 TYR H . 50623 1 1100 . 1 . 1 96 96 TYR HA H 1 3.975 0.020 . 1 . . . . . 96 TYR HA . 50623 1 1101 . 1 . 1 96 96 TYR HB2 H 1 2.883 0.020 . 2 . . . . . 96 TYR HB2 . 50623 1 1102 . 1 . 1 96 96 TYR HB3 H 1 2.883 0.020 . 2 . . . . . 96 TYR HB3 . 50623 1 1103 . 1 . 1 96 96 TYR HD1 H 1 7.104 0.020 . 1 . . . . . 96 TYR HD1 . 50623 1 1104 . 1 . 1 96 96 TYR HD2 H 1 7.104 0.020 . 1 . . . . . 96 TYR HD2 . 50623 1 1105 . 1 . 1 96 96 TYR HE1 H 1 6.857 0.020 . 1 . . . . . 96 TYR HE1 . 50623 1 1106 . 1 . 1 96 96 TYR HE2 H 1 6.857 0.020 . 1 . . . . . 96 TYR HE2 . 50623 1 1107 . 1 . 1 96 96 TYR C C 13 174.920 0.400 . 1 . . . . . 96 TYR C . 50623 1 1108 . 1 . 1 96 96 TYR CA C 13 62.936 0.400 . 1 . . . . . 96 TYR CA . 50623 1 1109 . 1 . 1 96 96 TYR CB C 13 37.707 0.400 . 1 . . . . . 96 TYR CB . 50623 1 1110 . 1 . 1 96 96 TYR N N 15 118.893 0.400 . 1 . . . . . 96 TYR N . 50623 1 1111 . 1 . 1 97 97 ARG H H 1 8.384 0.020 . 1 . . . . . 97 ARG H . 50623 1 1112 . 1 . 1 97 97 ARG HA H 1 3.584 0.020 . 1 . . . . . 97 ARG HA . 50623 1 1113 . 1 . 1 97 97 ARG HB2 H 1 1.748 0.020 . 2 . . . . . 97 ARG HB2 . 50623 1 1114 . 1 . 1 97 97 ARG HB3 H 1 1.748 0.020 . 2 . . . . . 97 ARG HB3 . 50623 1 1115 . 1 . 1 97 97 ARG HG2 H 1 1.082 0.020 . 2 . . . . . 97 ARG HG2 . 50623 1 1116 . 1 . 1 97 97 ARG HG3 H 1 1.082 0.020 . 2 . . . . . 97 ARG HG3 . 50623 1 1117 . 1 . 1 97 97 ARG HD2 H 1 2.202 0.020 . 2 . . . . . 97 ARG HD2 . 50623 1 1118 . 1 . 1 97 97 ARG HD3 H 1 2.202 0.020 . 2 . . . . . 97 ARG HD3 . 50623 1 1119 . 1 . 1 97 97 ARG C C 13 175.281 0.400 . 1 . . . . . 97 ARG C . 50623 1 1120 . 1 . 1 97 97 ARG CA C 13 59.821 0.400 . 1 . . . . . 97 ARG CA . 50623 1 1121 . 1 . 1 97 97 ARG CB C 13 28.856 0.400 . 1 . . . . . 97 ARG CB . 50623 1 1122 . 1 . 1 97 97 ARG CG C 13 27.460 0.400 . 1 . . . . . 97 ARG CG . 50623 1 1123 . 1 . 1 97 97 ARG CD C 13 42.672 0.400 . 1 . . . . . 97 ARG CD . 50623 1 1124 . 1 . 1 97 97 ARG N N 15 118.528 0.400 . 1 . . . . . 97 ARG N . 50623 1 1125 . 1 . 1 98 98 GLU H H 1 7.837 0.020 . 1 . . . . . 98 GLU H . 50623 1 1126 . 1 . 1 98 98 GLU HA H 1 3.777 0.020 . 1 . . . . . 98 GLU HA . 50623 1 1127 . 1 . 1 98 98 GLU HB2 H 1 1.982 0.020 . 2 . . . . . 98 GLU HB2 . 50623 1 1128 . 1 . 1 98 98 GLU HB3 H 1 1.982 0.020 . 2 . . . . . 98 GLU HB3 . 50623 1 1129 . 1 . 1 98 98 GLU HG2 H 1 2.143 0.020 . 2 . . . . . 98 GLU HG2 . 50623 1 1130 . 1 . 1 98 98 GLU HG3 H 1 2.143 0.020 . 2 . . . . . 98 GLU HG3 . 50623 1 1131 . 1 . 1 98 98 GLU C C 13 176.282 0.400 . 1 . . . . . 98 GLU C . 50623 1 1132 . 1 . 1 98 98 GLU CA C 13 58.960 0.400 . 1 . . . . . 98 GLU CA . 50623 1 1133 . 1 . 1 98 98 GLU CB C 13 29.050 0.400 . 1 . . . . . 98 GLU CB . 50623 1 1134 . 1 . 1 98 98 GLU CG C 13 36.111 0.400 . 1 . . . . . 98 GLU CG . 50623 1 1135 . 1 . 1 98 98 GLU N N 15 117.491 0.400 . 1 . . . . . 98 GLU N . 50623 1 1136 . 1 . 1 99 99 GLN H H 1 7.790 0.020 . 1 . . . . . 99 GLN H . 50623 1 1137 . 1 . 1 99 99 GLN HA H 1 3.863 0.020 . 1 . . . . . 99 GLN HA . 50623 1 1138 . 1 . 1 99 99 GLN HB2 H 1 2.007 0.020 . 2 . . . . . 99 GLN HB2 . 50623 1 1139 . 1 . 1 99 99 GLN HB3 H 1 2.007 0.020 . 2 . . . . . 99 GLN HB3 . 50623 1 1140 . 1 . 1 99 99 GLN HG2 H 1 2.268 0.020 . 2 . . . . . 99 GLN HG2 . 50623 1 1141 . 1 . 1 99 99 GLN HG3 H 1 2.268 0.020 . 2 . . . . . 99 GLN HG3 . 50623 1 1142 . 1 . 1 99 99 GLN HE21 H 1 6.674 0.020 . 2 . . . . . 99 GLN HE21 . 50623 1 1143 . 1 . 1 99 99 GLN HE22 H 1 7.172 0.020 . 2 . . . . . 99 GLN HE22 . 50623 1 1144 . 1 . 1 99 99 GLN C C 13 175.159 0.400 . 1 . . . . . 99 GLN C . 50623 1 1145 . 1 . 1 99 99 GLN CA C 13 58.961 0.400 . 1 . . . . . 99 GLN CA . 50623 1 1146 . 1 . 1 99 99 GLN CB C 13 28.940 0.400 . 1 . . . . . 99 GLN CB . 50623 1 1147 . 1 . 1 99 99 GLN CG C 13 33.423 0.400 . 1 . . . . . 99 GLN CG . 50623 1 1148 . 1 . 1 99 99 GLN N N 15 119.546 0.400 . 1 . . . . . 99 GLN N . 50623 1 1149 . 1 . 1 99 99 GLN NE2 N 15 110.663 0.400 . 1 . . . . . 99 GLN NE2 . 50623 1 1150 . 1 . 1 100 100 ILE H H 1 7.803 0.020 . 1 . . . . . 100 ILE H . 50623 1 1151 . 1 . 1 100 100 ILE HA H 1 3.154 0.020 . 1 . . . . . 100 ILE HA . 50623 1 1152 . 1 . 1 100 100 ILE HB H 1 1.354 0.020 . 1 . . . . . 100 ILE HB . 50623 1 1153 . 1 . 1 100 100 ILE HG12 H 1 -0.085 0.020 . 2 . . . . . 100 ILE HG12 . 50623 1 1154 . 1 . 1 100 100 ILE HG13 H 1 1.531 0.020 . 2 . . . . . 100 ILE HG13 . 50623 1 1155 . 1 . 1 100 100 ILE HG21 H 1 0.334 0.020 . 1 . . . . . 100 ILE HG21 . 50623 1 1156 . 1 . 1 100 100 ILE HG22 H 1 0.334 0.020 . 1 . . . . . 100 ILE HG22 . 50623 1 1157 . 1 . 1 100 100 ILE HG23 H 1 0.334 0.020 . 1 . . . . . 100 ILE HG23 . 50623 1 1158 . 1 . 1 100 100 ILE HD11 H 1 -0.084 0.020 . 1 . . . . . 100 ILE HD11 . 50623 1 1159 . 1 . 1 100 100 ILE HD12 H 1 -0.084 0.020 . 1 . . . . . 100 ILE HD12 . 50623 1 1160 . 1 . 1 100 100 ILE HD13 H 1 -0.084 0.020 . 1 . . . . . 100 ILE HD13 . 50623 1 1161 . 1 . 1 100 100 ILE C C 13 174.450 0.400 . 1 . . . . . 100 ILE C . 50623 1 1162 . 1 . 1 100 100 ILE CA C 13 65.381 0.400 . 1 . . . . . 100 ILE CA . 50623 1 1163 . 1 . 1 100 100 ILE CB C 13 37.932 0.400 . 1 . . . . . 100 ILE CB . 50623 1 1164 . 1 . 1 100 100 ILE CG1 C 13 29.408 0.400 . 1 . . . . . 100 ILE CG1 . 50623 1 1165 . 1 . 1 100 100 ILE CG2 C 13 17.938 0.400 . 1 . . . . . 100 ILE CG2 . 50623 1 1166 . 1 . 1 100 100 ILE CD1 C 13 15.529 0.400 . 1 . . . . . 100 ILE CD1 . 50623 1 1167 . 1 . 1 100 100 ILE N N 15 120.050 0.400 . 1 . . . . . 100 ILE N . 50623 1 1168 . 1 . 1 101 101 LYS H H 1 7.810 0.020 . 1 . . . . . 101 LYS H . 50623 1 1169 . 1 . 1 101 101 LYS HA H 1 3.875 0.020 . 1 . . . . . 101 LYS HA . 50623 1 1170 . 1 . 1 101 101 LYS HB2 H 1 1.687 0.020 . 2 . . . . . 101 LYS HB2 . 50623 1 1171 . 1 . 1 101 101 LYS HB3 H 1 1.687 0.020 . 2 . . . . . 101 LYS HB3 . 50623 1 1172 . 1 . 1 101 101 LYS HG2 H 1 1.359 0.020 . 2 . . . . . 101 LYS HG2 . 50623 1 1173 . 1 . 1 101 101 LYS HG3 H 1 1.359 0.020 . 2 . . . . . 101 LYS HG3 . 50623 1 1174 . 1 . 1 101 101 LYS HD2 H 1 1.435 0.020 . 2 . . . . . 101 LYS HD2 . 50623 1 1175 . 1 . 1 101 101 LYS HD3 H 1 1.432 0.020 . 2 . . . . . 101 LYS HD3 . 50623 1 1176 . 1 . 1 101 101 LYS HE2 H 1 2.787 0.020 . 2 . . . . . 101 LYS HE2 . 50623 1 1177 . 1 . 1 101 101 LYS HE3 H 1 2.787 0.020 . 2 . . . . . 101 LYS HE3 . 50623 1 1178 . 1 . 1 101 101 LYS C C 13 176.574 0.400 . 1 . . . . . 101 LYS C . 50623 1 1179 . 1 . 1 101 101 LYS CA C 13 59.683 0.400 . 1 . . . . . 101 LYS CA . 50623 1 1180 . 1 . 1 101 101 LYS CB C 13 32.153 0.400 . 1 . . . . . 101 LYS CB . 50623 1 1181 . 1 . 1 101 101 LYS CG C 13 25.097 0.400 . 1 . . . . . 101 LYS CG . 50623 1 1182 . 1 . 1 101 101 LYS CD C 13 29.824 0.400 . 1 . . . . . 101 LYS CD . 50623 1 1183 . 1 . 1 101 101 LYS CE C 13 41.621 0.400 . 1 . . . . . 101 LYS CE . 50623 1 1184 . 1 . 1 101 101 LYS N N 15 117.542 0.400 . 1 . . . . . 101 LYS N . 50623 1 1185 . 1 . 1 102 102 ARG H H 1 7.718 0.020 . 1 . . . . . 102 ARG H . 50623 1 1186 . 1 . 1 102 102 ARG HA H 1 4.058 0.020 . 1 . . . . . 102 ARG HA . 50623 1 1187 . 1 . 1 102 102 ARG HB2 H 1 1.884 0.020 . 2 . . . . . 102 ARG HB2 . 50623 1 1188 . 1 . 1 102 102 ARG HB3 H 1 1.884 0.020 . 2 . . . . . 102 ARG HB3 . 50623 1 1189 . 1 . 1 102 102 ARG HG2 H 1 1.549 0.020 . 2 . . . . . 102 ARG HG2 . 50623 1 1190 . 1 . 1 102 102 ARG HG3 H 1 1.647 0.020 . 2 . . . . . 102 ARG HG3 . 50623 1 1191 . 1 . 1 102 102 ARG HD2 H 1 3.172 0.020 . 2 . . . . . 102 ARG HD2 . 50623 1 1192 . 1 . 1 102 102 ARG HD3 H 1 3.172 0.020 . 2 . . . . . 102 ARG HD3 . 50623 1 1193 . 1 . 1 102 102 ARG C C 13 176.700 0.400 . 1 . . . . . 102 ARG C . 50623 1 1194 . 1 . 1 102 102 ARG CA C 13 59.031 0.400 . 1 . . . . . 102 ARG CA . 50623 1 1195 . 1 . 1 102 102 ARG CB C 13 30.101 0.400 . 1 . . . . . 102 ARG CB . 50623 1 1196 . 1 . 1 102 102 ARG CG C 13 27.153 0.400 . 1 . . . . . 102 ARG CG . 50623 1 1197 . 1 . 1 102 102 ARG CD C 13 43.271 0.400 . 1 . . . . . 102 ARG CD . 50623 1 1198 . 1 . 1 102 102 ARG N N 15 117.762 0.400 . 1 . . . . . 102 ARG N . 50623 1 1199 . 1 . 1 103 103 VAL H H 1 7.992 0.020 . 1 . . . . . 103 VAL H . 50623 1 1200 . 1 . 1 103 103 VAL HA H 1 3.852 0.020 . 1 . . . . . 103 VAL HA . 50623 1 1201 . 1 . 1 103 103 VAL HB H 1 2.034 0.020 . 1 . . . . . 103 VAL HB . 50623 1 1202 . 1 . 1 103 103 VAL HG11 H 1 0.969 0.020 . 2 . . . . . 103 VAL HG11 . 50623 1 1203 . 1 . 1 103 103 VAL HG12 H 1 0.969 0.020 . 2 . . . . . 103 VAL HG12 . 50623 1 1204 . 1 . 1 103 103 VAL HG13 H 1 0.969 0.020 . 2 . . . . . 103 VAL HG13 . 50623 1 1205 . 1 . 1 103 103 VAL HG21 H 1 0.969 0.020 . 2 . . . . . 103 VAL HG21 . 50623 1 1206 . 1 . 1 103 103 VAL HG22 H 1 0.969 0.020 . 2 . . . . . 103 VAL HG22 . 50623 1 1207 . 1 . 1 103 103 VAL HG23 H 1 0.969 0.020 . 2 . . . . . 103 VAL HG23 . 50623 1 1208 . 1 . 1 103 103 VAL C C 13 173.819 0.400 . 1 . . . . . 103 VAL C . 50623 1 1209 . 1 . 1 103 103 VAL CA C 13 65.176 0.400 . 1 . . . . . 103 VAL CA . 50623 1 1210 . 1 . 1 103 103 VAL CB C 13 31.780 0.400 . 1 . . . . . 103 VAL CB . 50623 1 1211 . 1 . 1 103 103 VAL CG1 C 13 22.003 0.400 . 2 . . . . . 103 VAL CG1 . 50623 1 1212 . 1 . 1 103 103 VAL CG2 C 13 22.003 0.400 . 2 . . . . . 103 VAL CG2 . 50623 1 1213 . 1 . 1 103 103 VAL N N 15 118.147 0.400 . 1 . . . . . 103 VAL N . 50623 1 1214 . 1 . 1 104 104 LYS H H 1 7.978 0.020 . 1 . . . . . 104 LYS H . 50623 1 1215 . 1 . 1 104 104 LYS HA H 1 4.254 0.020 . 1 . . . . . 104 LYS HA . 50623 1 1216 . 1 . 1 104 104 LYS HB2 H 1 1.789 0.020 . 2 . . . . . 104 LYS HB2 . 50623 1 1217 . 1 . 1 104 104 LYS HB3 H 1 1.789 0.020 . 2 . . . . . 104 LYS HB3 . 50623 1 1218 . 1 . 1 104 104 LYS HG2 H 1 1.369 0.020 . 2 . . . . . 104 LYS HG2 . 50623 1 1219 . 1 . 1 104 104 LYS HG3 H 1 1.369 0.020 . 2 . . . . . 104 LYS HG3 . 50623 1 1220 . 1 . 1 104 104 LYS HD2 H 1 2.134 0.020 . 2 . . . . . 104 LYS HD2 . 50623 1 1221 . 1 . 1 104 104 LYS HD3 H 1 2.134 0.020 . 2 . . . . . 104 LYS HD3 . 50623 1 1222 . 1 . 1 104 104 LYS HE2 H 1 3.173 0.020 . 2 . . . . . 104 LYS HE2 . 50623 1 1223 . 1 . 1 104 104 LYS HE3 H 1 3.173 0.020 . 2 . . . . . 104 LYS HE3 . 50623 1 1224 . 1 . 1 104 104 LYS C C 13 173.406 0.400 . 1 . . . . . 104 LYS C . 50623 1 1225 . 1 . 1 104 104 LYS CA C 13 54.867 0.400 . 1 . . . . . 104 LYS CA . 50623 1 1226 . 1 . 1 104 104 LYS CB C 13 31.245 0.400 . 1 . . . . . 104 LYS CB . 50623 1 1227 . 1 . 1 104 104 LYS CG C 13 24.926 0.400 . 1 . . . . . 104 LYS CG . 50623 1 1228 . 1 . 1 104 104 LYS CD C 13 27.990 0.400 . 1 . . . . . 104 LYS CD . 50623 1 1229 . 1 . 1 104 104 LYS N N 15 116.651 0.400 . 1 . . . . . 104 LYS N . 50623 1 1230 . 1 . 1 105 105 ASP H H 1 7.980 0.020 . 1 . . . . . 105 ASP H . 50623 1 1231 . 1 . 1 105 105 ASP HA H 1 4.309 0.020 . 1 . . . . . 105 ASP HA . 50623 1 1232 . 1 . 1 105 105 ASP HB2 H 1 2.356 0.020 . 2 . . . . . 105 ASP HB2 . 50623 1 1233 . 1 . 1 105 105 ASP HB3 H 1 3.066 0.020 . 2 . . . . . 105 ASP HB3 . 50623 1 1234 . 1 . 1 105 105 ASP C C 13 172.067 0.400 . 1 . . . . . 105 ASP C . 50623 1 1235 . 1 . 1 105 105 ASP CA C 13 54.624 0.400 . 1 . . . . . 105 ASP CA . 50623 1 1236 . 1 . 1 105 105 ASP CB C 13 39.913 0.400 . 1 . . . . . 105 ASP CB . 50623 1 1237 . 1 . 1 105 105 ASP N N 15 120.812 0.400 . 1 . . . . . 105 ASP N . 50623 1 1238 . 1 . 1 106 106 SER H H 1 7.576 0.020 . 1 . . . . . 106 SER H . 50623 1 1239 . 1 . 1 106 106 SER HA H 1 4.486 0.020 . 1 . . . . . 106 SER HA . 50623 1 1240 . 1 . 1 106 106 SER HB2 H 1 3.267 0.020 . 2 . . . . . 106 SER HB2 . 50623 1 1241 . 1 . 1 106 106 SER HB3 H 1 3.824 0.020 . 2 . . . . . 106 SER HB3 . 50623 1 1242 . 1 . 1 106 106 SER C C 13 170.593 0.400 . 1 . . . . . 106 SER C . 50623 1 1243 . 1 . 1 106 106 SER CA C 13 57.254 0.400 . 1 . . . . . 106 SER CA . 50623 1 1244 . 1 . 1 106 106 SER CB C 13 65.054 0.400 . 1 . . . . . 106 SER CB . 50623 1 1245 . 1 . 1 106 106 SER N N 15 109.330 0.400 . 1 . . . . . 106 SER N . 50623 1 1246 . 1 . 1 107 107 GLU H H 1 8.360 0.020 . 1 . . . . . 107 GLU H . 50623 1 1247 . 1 . 1 107 107 GLU HA H 1 4.269 0.020 . 1 . . . . . 107 GLU HA . 50623 1 1248 . 1 . 1 107 107 GLU HB2 H 1 1.870 0.020 . 2 . . . . . 107 GLU HB2 . 50623 1 1249 . 1 . 1 107 107 GLU HB3 H 1 2.131 0.020 . 2 . . . . . 107 GLU HB3 . 50623 1 1250 . 1 . 1 107 107 GLU HG2 H 1 2.209 0.020 . 2 . . . . . 107 GLU HG2 . 50623 1 1251 . 1 . 1 107 107 GLU HG3 H 1 2.209 0.020 . 2 . . . . . 107 GLU HG3 . 50623 1 1252 . 1 . 1 107 107 GLU C C 13 173.388 0.400 . 1 . . . . . 107 GLU C . 50623 1 1253 . 1 . 1 107 107 GLU CA C 13 56.376 0.400 . 1 . . . . . 107 GLU CA . 50623 1 1254 . 1 . 1 107 107 GLU CB C 13 30.594 0.400 . 1 . . . . . 107 GLU CB . 50623 1 1255 . 1 . 1 107 107 GLU CG C 13 36.340 0.400 . 1 . . . . . 107 GLU CG . 50623 1 1256 . 1 . 1 107 107 GLU N N 15 121.185 0.400 . 1 . . . . . 107 GLU N . 50623 1 1257 . 1 . 1 108 108 ASP H H 1 8.454 0.020 . 1 . . . . . 108 ASP H . 50623 1 1258 . 1 . 1 108 108 ASP HA H 1 4.788 0.020 . 1 . . . . . 108 ASP HA . 50623 1 1259 . 1 . 1 108 108 ASP HB2 H 1 2.538 0.020 . 2 . . . . . 108 ASP HB2 . 50623 1 1260 . 1 . 1 108 108 ASP HB3 H 1 2.741 0.020 . 2 . . . . . 108 ASP HB3 . 50623 1 1261 . 1 . 1 108 108 ASP C C 13 171.491 0.400 . 1 . . . . . 108 ASP C . 50623 1 1262 . 1 . 1 108 108 ASP CA C 13 53.091 0.400 . 1 . . . . . 108 ASP CA . 50623 1 1263 . 1 . 1 108 108 ASP CB C 13 41.010 0.400 . 1 . . . . . 108 ASP CB . 50623 1 1264 . 1 . 1 108 108 ASP N N 15 121.570 0.400 . 1 . . . . . 108 ASP N . 50623 1 1265 . 1 . 1 109 109 VAL H H 1 7.556 0.020 . 1 . . . . . 109 VAL H . 50623 1 1266 . 1 . 1 109 109 VAL HA H 1 4.185 0.020 . 1 . . . . . 109 VAL HA . 50623 1 1267 . 1 . 1 109 109 VAL HB H 1 1.693 0.020 . 1 . . . . . 109 VAL HB . 50623 1 1268 . 1 . 1 109 109 VAL HG11 H 1 0.727 0.020 . 2 . . . . . 109 VAL HG11 . 50623 1 1269 . 1 . 1 109 109 VAL HG12 H 1 0.727 0.020 . 2 . . . . . 109 VAL HG12 . 50623 1 1270 . 1 . 1 109 109 VAL HG13 H 1 0.727 0.020 . 2 . . . . . 109 VAL HG13 . 50623 1 1271 . 1 . 1 109 109 VAL HG21 H 1 0.904 0.020 . 2 . . . . . 109 VAL HG21 . 50623 1 1272 . 1 . 1 109 109 VAL HG22 H 1 0.904 0.020 . 2 . . . . . 109 VAL HG22 . 50623 1 1273 . 1 . 1 109 109 VAL HG23 H 1 0.904 0.020 . 2 . . . . . 109 VAL HG23 . 50623 1 1274 . 1 . 1 109 109 VAL CA C 13 58.797 0.400 . 1 . . . . . 109 VAL CA . 50623 1 1275 . 1 . 1 109 109 VAL CB C 13 34.940 0.400 . 1 . . . . . 109 VAL CB . 50623 1 1276 . 1 . 1 109 109 VAL N N 15 121.581 0.400 . 1 . . . . . 109 VAL N . 50623 1 1277 . 1 . 1 110 110 PRO HA H 1 4.462 0.020 . 1 . . . . . 110 PRO HA . 50623 1 1278 . 1 . 1 110 110 PRO HB2 H 1 2.204 0.020 . 2 . . . . . 110 PRO HB2 . 50623 1 1279 . 1 . 1 110 110 PRO HB3 H 1 2.050 0.020 . 2 . . . . . 110 PRO HB3 . 50623 1 1280 . 1 . 1 110 110 PRO HG2 H 1 1.599 0.020 . 2 . . . . . 110 PRO HG2 . 50623 1 1281 . 1 . 1 110 110 PRO HG3 H 1 1.599 0.020 . 2 . . . . . 110 PRO HG3 . 50623 1 1282 . 1 . 1 110 110 PRO HD2 H 1 3.698 0.020 . 2 . . . . . 110 PRO HD2 . 50623 1 1283 . 1 . 1 110 110 PRO HD3 H 1 3.698 0.020 . 2 . . . . . 110 PRO HD3 . 50623 1 1284 . 1 . 1 110 110 PRO C C 13 173.126 0.400 . 1 . . . . . 110 PRO C . 50623 1 1285 . 1 . 1 110 110 PRO CA C 13 63.909 0.400 . 1 . . . . . 110 PRO CA . 50623 1 1286 . 1 . 1 110 110 PRO CB C 13 32.912 0.400 . 1 . . . . . 110 PRO CB . 50623 1 1287 . 1 . 1 110 110 PRO CG C 13 29.224 0.400 . 1 . . . . . 110 PRO CG . 50623 1 1288 . 1 . 1 111 111 MET H H 1 8.180 0.020 . 1 . . . . . 111 MET H . 50623 1 1289 . 1 . 1 111 111 MET HA H 1 5.730 0.020 . 1 . . . . . 111 MET HA . 50623 1 1290 . 1 . 1 111 111 MET HB2 H 1 2.067 0.020 . 2 . . . . . 111 MET HB2 . 50623 1 1291 . 1 . 1 111 111 MET HB3 H 1 2.067 0.020 . 2 . . . . . 111 MET HB3 . 50623 1 1292 . 1 . 1 111 111 MET HG2 H 1 2.652 0.020 . 2 . . . . . 111 MET HG2 . 50623 1 1293 . 1 . 1 111 111 MET HG3 H 1 2.652 0.020 . 2 . . . . . 111 MET HG3 . 50623 1 1294 . 1 . 1 111 111 MET C C 13 176.700 0.400 . 1 . . . . . 111 MET C . 50623 1 1295 . 1 . 1 111 111 MET CA C 13 55.020 0.400 . 1 . . . . . 111 MET CA . 50623 1 1296 . 1 . 1 111 111 MET CB C 13 38.140 0.400 . 1 . . . . . 111 MET CB . 50623 1 1297 . 1 . 1 111 111 MET CG C 13 32.864 0.400 . 1 . . . . . 111 MET CG . 50623 1 1298 . 1 . 1 111 111 MET N N 15 122.892 0.400 . 1 . . . . . 111 MET N . 50623 1 1299 . 1 . 1 112 112 VAL H H 1 8.025 0.020 . 1 . . . . . 112 VAL H . 50623 1 1300 . 1 . 1 112 112 VAL HA H 1 4.313 0.020 . 1 . . . . . 112 VAL HA . 50623 1 1301 . 1 . 1 112 112 VAL HB H 1 1.726 0.020 . 1 . . . . . 112 VAL HB . 50623 1 1302 . 1 . 1 112 112 VAL HG11 H 1 0.741 0.020 . 2 . . . . . 112 VAL HG11 . 50623 1 1303 . 1 . 1 112 112 VAL HG12 H 1 0.741 0.020 . 2 . . . . . 112 VAL HG12 . 50623 1 1304 . 1 . 1 112 112 VAL HG13 H 1 0.741 0.020 . 2 . . . . . 112 VAL HG13 . 50623 1 1305 . 1 . 1 112 112 VAL HG21 H 1 0.742 0.020 . 2 . . . . . 112 VAL HG21 . 50623 1 1306 . 1 . 1 112 112 VAL HG22 H 1 0.742 0.020 . 2 . . . . . 112 VAL HG22 . 50623 1 1307 . 1 . 1 112 112 VAL HG23 H 1 0.742 0.020 . 2 . . . . . 112 VAL HG23 . 50623 1 1308 . 1 . 1 112 112 VAL C C 13 170.570 0.400 . 1 . . . . . 112 VAL C . 50623 1 1309 . 1 . 1 112 112 VAL CA C 13 61.032 0.400 . 1 . . . . . 112 VAL CA . 50623 1 1310 . 1 . 1 112 112 VAL CB C 13 37.255 0.400 . 1 . . . . . 112 VAL CB . 50623 1 1311 . 1 . 1 112 112 VAL CG1 C 13 21.332 0.400 . 2 . . . . . 112 VAL CG1 . 50623 1 1312 . 1 . 1 112 112 VAL CG2 C 13 22.805 0.400 . 2 . . . . . 112 VAL CG2 . 50623 1 1313 . 1 . 1 112 112 VAL N N 15 118.251 0.400 . 1 . . . . . 112 VAL N . 50623 1 1314 . 1 . 1 113 113 LEU H H 1 8.936 0.020 . 1 . . . . . 113 LEU H . 50623 1 1315 . 1 . 1 113 113 LEU HA H 1 5.148 0.020 . 1 . . . . . 113 LEU HA . 50623 1 1316 . 1 . 1 113 113 LEU HB2 H 1 1.445 0.020 . 2 . . . . . 113 LEU HB2 . 50623 1 1317 . 1 . 1 113 113 LEU HB3 H 1 2.472 0.020 . 2 . . . . . 113 LEU HB3 . 50623 1 1318 . 1 . 1 113 113 LEU HG H 1 2.024 0.020 . 1 . . . . . 113 LEU HG . 50623 1 1319 . 1 . 1 113 113 LEU HD11 H 1 1.309 0.020 . 2 . . . . . 113 LEU HD11 . 50623 1 1320 . 1 . 1 113 113 LEU HD12 H 1 1.309 0.020 . 2 . . . . . 113 LEU HD12 . 50623 1 1321 . 1 . 1 113 113 LEU HD13 H 1 1.309 0.020 . 2 . . . . . 113 LEU HD13 . 50623 1 1322 . 1 . 1 113 113 LEU HD21 H 1 1.028 0.020 . 2 . . . . . 113 LEU HD21 . 50623 1 1323 . 1 . 1 113 113 LEU HD22 H 1 1.028 0.020 . 2 . . . . . 113 LEU HD22 . 50623 1 1324 . 1 . 1 113 113 LEU HD23 H 1 1.028 0.020 . 2 . . . . . 113 LEU HD23 . 50623 1 1325 . 1 . 1 113 113 LEU C C 13 170.966 0.400 . 1 . . . . . 113 LEU C . 50623 1 1326 . 1 . 1 113 113 LEU CA C 13 53.829 0.400 . 1 . . . . . 113 LEU CA . 50623 1 1327 . 1 . 1 113 113 LEU CB C 13 44.022 0.400 . 1 . . . . . 113 LEU CB . 50623 1 1328 . 1 . 1 113 113 LEU CG C 13 27.403 0.400 . 1 . . . . . 113 LEU CG . 50623 1 1329 . 1 . 1 113 113 LEU CD1 C 13 25.339 0.400 . 2 . . . . . 113 LEU CD1 . 50623 1 1330 . 1 . 1 113 113 LEU CD2 C 13 27.403 0.400 . 2 . . . . . 113 LEU CD2 . 50623 1 1331 . 1 . 1 113 113 LEU N N 15 128.891 0.400 . 1 . . . . . 113 LEU N . 50623 1 1332 . 1 . 1 114 114 VAL H H 1 9.193 0.020 . 1 . . . . . 114 VAL H . 50623 1 1333 . 1 . 1 114 114 VAL HA H 1 5.035 0.020 . 1 . . . . . 114 VAL HA . 50623 1 1334 . 1 . 1 114 114 VAL HB H 1 1.684 0.020 . 1 . . . . . 114 VAL HB . 50623 1 1335 . 1 . 1 114 114 VAL HG11 H 1 0.637 0.020 . 2 . . . . . 114 VAL HG11 . 50623 1 1336 . 1 . 1 114 114 VAL HG12 H 1 0.637 0.020 . 2 . . . . . 114 VAL HG12 . 50623 1 1337 . 1 . 1 114 114 VAL HG13 H 1 0.637 0.020 . 2 . . . . . 114 VAL HG13 . 50623 1 1338 . 1 . 1 114 114 VAL HG21 H 1 0.637 0.020 . 2 . . . . . 114 VAL HG21 . 50623 1 1339 . 1 . 1 114 114 VAL HG22 H 1 0.637 0.020 . 2 . . . . . 114 VAL HG22 . 50623 1 1340 . 1 . 1 114 114 VAL HG23 H 1 0.637 0.020 . 2 . . . . . 114 VAL HG23 . 50623 1 1341 . 1 . 1 114 114 VAL C C 13 171.188 0.400 . 1 . . . . . 114 VAL C . 50623 1 1342 . 1 . 1 114 114 VAL CA C 13 60.168 0.400 . 1 . . . . . 114 VAL CA . 50623 1 1343 . 1 . 1 114 114 VAL CB C 13 35.064 0.400 . 1 . . . . . 114 VAL CB . 50623 1 1344 . 1 . 1 114 114 VAL CG1 C 13 23.084 0.400 . 2 . . . . . 114 VAL CG1 . 50623 1 1345 . 1 . 1 114 114 VAL CG2 C 13 23.084 0.400 . 2 . . . . . 114 VAL CG2 . 50623 1 1346 . 1 . 1 114 114 VAL N N 15 128.174 0.400 . 1 . . . . . 114 VAL N . 50623 1 1347 . 1 . 1 115 115 GLY H H 1 8.199 0.020 . 1 . . . . . 115 GLY H . 50623 1 1348 . 1 . 1 115 115 GLY HA2 H 1 2.908 0.020 . 2 . . . . . 115 GLY HA2 . 50623 1 1349 . 1 . 1 115 115 GLY HA3 H 1 2.908 0.020 . 2 . . . . . 115 GLY HA3 . 50623 1 1350 . 1 . 1 115 115 GLY C C 13 168.481 0.400 . 1 . . . . . 115 GLY C . 50623 1 1351 . 1 . 1 115 115 GLY CA C 13 45.696 0.400 . 1 . . . . . 115 GLY CA . 50623 1 1352 . 1 . 1 115 115 GLY N N 15 113.576 0.400 . 1 . . . . . 115 GLY N . 50623 1 1353 . 1 . 1 116 116 ASN H H 1 8.782 0.020 . 1 . . . . . 116 ASN H . 50623 1 1354 . 1 . 1 116 116 ASN HA H 1 5.586 0.020 . 1 . . . . . 116 ASN HA . 50623 1 1355 . 1 . 1 116 116 ASN HB2 H 1 2.135 0.020 . 2 . . . . . 116 ASN HB2 . 50623 1 1356 . 1 . 1 116 116 ASN HB3 H 1 2.549 0.020 . 2 . . . . . 116 ASN HB3 . 50623 1 1357 . 1 . 1 116 116 ASN C C 13 171.946 0.400 . 1 . . . . . 116 ASN C . 50623 1 1358 . 1 . 1 116 116 ASN CA C 13 51.594 0.400 . 1 . . . . . 116 ASN CA . 50623 1 1359 . 1 . 1 116 116 ASN CB C 13 41.151 0.400 . 1 . . . . . 116 ASN CB . 50623 1 1360 . 1 . 1 116 116 ASN N N 15 121.535 0.400 . 1 . . . . . 116 ASN N . 50623 1 1361 . 1 . 1 117 117 LYS H H 1 7.313 0.020 . 1 . . . . . 117 LYS H . 50623 1 1362 . 1 . 1 117 117 LYS HA H 1 4.269 0.020 . 1 . . . . . 117 LYS HA . 50623 1 1363 . 1 . 1 117 117 LYS HB2 H 1 1.648 0.020 . 2 . . . . . 117 LYS HB2 . 50623 1 1364 . 1 . 1 117 117 LYS HB3 H 1 2.381 0.020 . 2 . . . . . 117 LYS HB3 . 50623 1 1365 . 1 . 1 117 117 LYS HG2 H 1 0.456 0.020 . 2 . . . . . 117 LYS HG2 . 50623 1 1366 . 1 . 1 117 117 LYS HG3 H 1 0.874 0.020 . 2 . . . . . 117 LYS HG3 . 50623 1 1367 . 1 . 1 117 117 LYS C C 13 174.642 0.400 . 1 . . . . . 117 LYS C . 50623 1 1368 . 1 . 1 117 117 LYS CA C 13 57.404 0.400 . 1 . . . . . 117 LYS CA . 50623 1 1369 . 1 . 1 117 117 LYS CB C 13 29.876 0.400 . 1 . . . . . 117 LYS CB . 50623 1 1370 . 1 . 1 117 117 LYS CG C 13 25.841 0.400 . 1 . . . . . 117 LYS CG . 50623 1 1371 . 1 . 1 117 117 LYS N N 15 112.173 0.400 . 1 . . . . . 117 LYS N . 50623 1 1372 . 1 . 1 118 118 CYS H H 1 8.673 0.020 . 1 . . . . . 118 CYS H . 50623 1 1373 . 1 . 1 118 118 CYS HA H 1 4.284 0.020 . 1 . . . . . 118 CYS HA . 50623 1 1374 . 1 . 1 118 118 CYS HB2 H 1 2.583 0.020 . 2 . . . . . 118 CYS HB2 . 50623 1 1375 . 1 . 1 118 118 CYS HB3 H 1 2.990 0.020 . 2 . . . . . 118 CYS HB3 . 50623 1 1376 . 1 . 1 118 118 CYS C C 13 170.603 0.400 . 1 . . . . . 118 CYS C . 50623 1 1377 . 1 . 1 118 118 CYS CA C 13 61.190 0.400 . 1 . . . . . 118 CYS CA . 50623 1 1378 . 1 . 1 118 118 CYS CB C 13 26.461 0.400 . 1 . . . . . 118 CYS CB . 50623 1 1379 . 1 . 1 118 118 CYS N N 15 114.222 0.400 . 1 . . . . . 118 CYS N . 50623 1 1380 . 1 . 1 119 119 ASP H H 1 8.592 0.020 . 1 . . . . . 119 ASP H . 50623 1 1381 . 1 . 1 119 119 ASP HA H 1 4.459 0.020 . 1 . . . . . 119 ASP HA . 50623 1 1382 . 1 . 1 119 119 ASP HB2 H 1 2.588 0.020 . 2 . . . . . 119 ASP HB2 . 50623 1 1383 . 1 . 1 119 119 ASP HB3 H 1 2.578 0.020 . 2 . . . . . 119 ASP HB3 . 50623 1 1384 . 1 . 1 119 119 ASP C C 13 172.966 0.400 . 1 . . . . . 119 ASP C . 50623 1 1385 . 1 . 1 119 119 ASP CA C 13 53.967 0.400 . 1 . . . . . 119 ASP CA . 50623 1 1386 . 1 . 1 119 119 ASP CB C 13 41.520 0.400 . 1 . . . . . 119 ASP CB . 50623 1 1387 . 1 . 1 119 119 ASP N N 15 116.954 0.400 . 1 . . . . . 119 ASP N . 50623 1 1388 . 1 . 1 120 120 LEU H H 1 7.795 0.020 . 1 . . . . . 120 LEU H . 50623 1 1389 . 1 . 1 120 120 LEU HA H 1 4.256 0.020 . 1 . . . . . 120 LEU HA . 50623 1 1390 . 1 . 1 120 120 LEU CA C 13 53.099 0.400 . 1 . . . . . 120 LEU CA . 50623 1 1391 . 1 . 1 120 120 LEU CB C 13 41.730 0.400 . 1 . . . . . 120 LEU CB . 50623 1 1392 . 1 . 1 120 120 LEU N N 15 121.605 0.400 . 1 . . . . . 120 LEU N . 50623 1 1393 . 1 . 1 121 121 PRO HA H 1 4.532 0.020 . 1 . . . . . 121 PRO HA . 50623 1 1394 . 1 . 1 121 121 PRO HB2 H 1 2.084 0.020 . 2 . . . . . 121 PRO HB2 . 50623 1 1395 . 1 . 1 121 121 PRO HB3 H 1 2.230 0.020 . 2 . . . . . 121 PRO HB3 . 50623 1 1396 . 1 . 1 121 121 PRO HD2 H 1 3.831 0.020 . 2 . . . . . 121 PRO HD2 . 50623 1 1397 . 1 . 1 121 121 PRO HD3 H 1 3.831 0.020 . 2 . . . . . 121 PRO HD3 . 50623 1 1398 . 1 . 1 121 121 PRO C C 13 174.314 0.400 . 1 . . . . . 121 PRO C . 50623 1 1399 . 1 . 1 121 121 PRO CA C 13 63.306 0.400 . 1 . . . . . 121 PRO CA . 50623 1 1400 . 1 . 1 121 121 PRO CB C 13 31.732 0.400 . 1 . . . . . 121 PRO CB . 50623 1 1401 . 1 . 1 121 121 PRO CG C 13 26.819 0.400 . 1 . . . . . 121 PRO CG . 50623 1 1402 . 1 . 1 121 121 PRO CD C 13 50.270 0.400 . 1 . . . . . 121 PRO CD . 50623 1 1403 . 1 . 1 122 122 SER H H 1 7.241 0.020 . 1 . . . . . 122 SER H . 50623 1 1404 . 1 . 1 122 122 SER HA H 1 4.518 0.020 . 1 . . . . . 122 SER HA . 50623 1 1405 . 1 . 1 122 122 SER HB2 H 1 3.793 0.020 . 2 . . . . . 122 SER HB2 . 50623 1 1406 . 1 . 1 122 122 SER HB3 H 1 3.919 0.020 . 2 . . . . . 122 SER HB3 . 50623 1 1407 . 1 . 1 122 122 SER C C 13 169.970 0.400 . 1 . . . . . 122 SER C . 50623 1 1408 . 1 . 1 122 122 SER CA C 13 56.413 0.400 . 1 . . . . . 122 SER CA . 50623 1 1409 . 1 . 1 122 122 SER CB C 13 62.730 0.400 . 1 . . . . . 122 SER CB . 50623 1 1410 . 1 . 1 122 122 SER N N 15 113.238 0.400 . 1 . . . . . 122 SER N . 50623 1 1411 . 1 . 1 123 123 ARG H H 1 7.855 0.020 . 1 . . . . . 123 ARG H . 50623 1 1412 . 1 . 1 123 123 ARG HA H 1 4.088 0.020 . 1 . . . . . 123 ARG HA . 50623 1 1413 . 1 . 1 123 123 ARG HB2 H 1 1.691 0.020 . 2 . . . . . 123 ARG HB2 . 50623 1 1414 . 1 . 1 123 123 ARG HB3 H 1 1.824 0.020 . 2 . . . . . 123 ARG HB3 . 50623 1 1415 . 1 . 1 123 123 ARG HG2 H 1 1.448 0.020 . 2 . . . . . 123 ARG HG2 . 50623 1 1416 . 1 . 1 123 123 ARG HG3 H 1 1.448 0.020 . 2 . . . . . 123 ARG HG3 . 50623 1 1417 . 1 . 1 123 123 ARG HD2 H 1 3.133 0.020 . 2 . . . . . 123 ARG HD2 . 50623 1 1418 . 1 . 1 123 123 ARG HD3 H 1 3.371 0.020 . 2 . . . . . 123 ARG HD3 . 50623 1 1419 . 1 . 1 123 123 ARG C C 13 173.312 0.400 . 1 . . . . . 123 ARG C . 50623 1 1420 . 1 . 1 123 123 ARG CA C 13 55.876 0.400 . 1 . . . . . 123 ARG CA . 50623 1 1421 . 1 . 1 123 123 ARG CB C 13 32.492 0.400 . 1 . . . . . 123 ARG CB . 50623 1 1422 . 1 . 1 123 123 ARG CG C 13 26.493 0.400 . 1 . . . . . 123 ARG CG . 50623 1 1423 . 1 . 1 123 123 ARG CD C 13 44.305 0.400 . 1 . . . . . 123 ARG CD . 50623 1 1424 . 1 . 1 123 123 ARG N N 15 120.259 0.400 . 1 . . . . . 123 ARG N . 50623 1 1425 . 1 . 1 124 124 THR H H 1 9.022 0.020 . 1 . . . . . 124 THR H . 50623 1 1426 . 1 . 1 124 124 THR HA H 1 4.498 0.020 . 1 . . . . . 124 THR HA . 50623 1 1427 . 1 . 1 124 124 THR HB H 1 4.226 0.020 . 1 . . . . . 124 THR HB . 50623 1 1428 . 1 . 1 124 124 THR HG21 H 1 1.112 0.020 . 1 . . . . . 124 THR HG21 . 50623 1 1429 . 1 . 1 124 124 THR HG22 H 1 1.112 0.020 . 1 . . . . . 124 THR HG22 . 50623 1 1430 . 1 . 1 124 124 THR HG23 H 1 1.112 0.020 . 1 . . . . . 124 THR HG23 . 50623 1 1431 . 1 . 1 124 124 THR C C 13 171.702 0.400 . 1 . . . . . 124 THR C . 50623 1 1432 . 1 . 1 124 124 THR CA C 13 61.742 0.400 . 1 . . . . . 124 THR CA . 50623 1 1433 . 1 . 1 124 124 THR CB C 13 69.169 0.400 . 1 . . . . . 124 THR CB . 50623 1 1434 . 1 . 1 124 124 THR CG2 C 13 22.214 0.400 . 1 . . . . . 124 THR CG2 . 50623 1 1435 . 1 . 1 124 124 THR N N 15 114.331 0.400 . 1 . . . . . 124 THR N . 50623 1 1436 . 1 . 1 125 125 VAL H H 1 7.548 0.020 . 1 . . . . . 125 VAL H . 50623 1 1437 . 1 . 1 125 125 VAL HA H 1 3.951 0.020 . 1 . . . . . 125 VAL HA . 50623 1 1438 . 1 . 1 125 125 VAL HB H 1 1.798 0.020 . 1 . . . . . 125 VAL HB . 50623 1 1439 . 1 . 1 125 125 VAL HG11 H 1 -0.156 0.020 . 2 . . . . . 125 VAL HG11 . 50623 1 1440 . 1 . 1 125 125 VAL HG12 H 1 -0.156 0.020 . 2 . . . . . 125 VAL HG12 . 50623 1 1441 . 1 . 1 125 125 VAL HG13 H 1 -0.156 0.020 . 2 . . . . . 125 VAL HG13 . 50623 1 1442 . 1 . 1 125 125 VAL HG21 H 1 0.663 0.020 . 2 . . . . . 125 VAL HG21 . 50623 1 1443 . 1 . 1 125 125 VAL HG22 H 1 0.663 0.020 . 2 . . . . . 125 VAL HG22 . 50623 1 1444 . 1 . 1 125 125 VAL HG23 H 1 0.663 0.020 . 2 . . . . . 125 VAL HG23 . 50623 1 1445 . 1 . 1 125 125 VAL C C 13 172.461 0.400 . 1 . . . . . 125 VAL C . 50623 1 1446 . 1 . 1 125 125 VAL CA C 13 61.448 0.400 . 1 . . . . . 125 VAL CA . 50623 1 1447 . 1 . 1 125 125 VAL CB C 13 32.971 0.400 . 1 . . . . . 125 VAL CB . 50623 1 1448 . 1 . 1 125 125 VAL CG1 C 13 19.513 0.400 . 2 . . . . . 125 VAL CG1 . 50623 1 1449 . 1 . 1 125 125 VAL CG2 C 13 19.513 0.400 . 2 . . . . . 125 VAL CG2 . 50623 1 1450 . 1 . 1 125 125 VAL N N 15 124.169 0.400 . 1 . . . . . 125 VAL N . 50623 1 1451 . 1 . 1 126 126 ASP H H 1 8.566 0.020 . 1 . . . . . 126 ASP H . 50623 1 1452 . 1 . 1 126 126 ASP HA H 1 4.501 0.020 . 1 . . . . . 126 ASP HA . 50623 1 1453 . 1 . 1 126 126 ASP HB2 H 1 2.660 0.020 . 2 . . . . . 126 ASP HB2 . 50623 1 1454 . 1 . 1 126 126 ASP HB3 H 1 2.660 0.020 . 2 . . . . . 126 ASP HB3 . 50623 1 1455 . 1 . 1 126 126 ASP C C 13 173.940 0.400 . 1 . . . . . 126 ASP C . 50623 1 1456 . 1 . 1 126 126 ASP CA C 13 54.214 0.400 . 1 . . . . . 126 ASP CA . 50623 1 1457 . 1 . 1 126 126 ASP CB C 13 42.134 0.400 . 1 . . . . . 126 ASP CB . 50623 1 1458 . 1 . 1 126 126 ASP N N 15 128.338 0.400 . 1 . . . . . 126 ASP N . 50623 1 1459 . 1 . 1 127 127 THR H H 1 8.706 0.020 . 1 . . . . . 127 THR H . 50623 1 1460 . 1 . 1 127 127 THR HA H 1 3.976 0.020 . 1 . . . . . 127 THR HA . 50623 1 1461 . 1 . 1 127 127 THR HB H 1 3.976 0.020 . 1 . . . . . 127 THR HB . 50623 1 1462 . 1 . 1 127 127 THR HG21 H 1 1.304 0.020 . 1 . . . . . 127 THR HG21 . 50623 1 1463 . 1 . 1 127 127 THR HG22 H 1 1.304 0.020 . 1 . . . . . 127 THR HG22 . 50623 1 1464 . 1 . 1 127 127 THR HG23 H 1 1.304 0.020 . 1 . . . . . 127 THR HG23 . 50623 1 1465 . 1 . 1 127 127 THR C C 13 171.642 0.400 . 1 . . . . . 127 THR C . 50623 1 1466 . 1 . 1 127 127 THR CA C 13 67.277 0.400 . 1 . . . . . 127 THR CA . 50623 1 1467 . 1 . 1 127 127 THR CB C 13 69.031 0.400 . 1 . . . . . 127 THR CB . 50623 1 1468 . 1 . 1 127 127 THR CG2 C 13 22.140 0.400 . 1 . . . . . 127 THR CG2 . 50623 1 1469 . 1 . 1 127 127 THR N N 15 121.474 0.400 . 1 . . . . . 127 THR N . 50623 1 1470 . 1 . 1 128 128 LYS H H 1 8.373 0.020 . 1 . . . . . 128 LYS H . 50623 1 1471 . 1 . 1 128 128 LYS HA H 1 3.998 0.020 . 1 . . . . . 128 LYS HA . 50623 1 1472 . 1 . 1 128 128 LYS HB2 H 1 1.784 0.020 . 2 . . . . . 128 LYS HB2 . 50623 1 1473 . 1 . 1 128 128 LYS HB3 H 1 1.784 0.020 . 2 . . . . . 128 LYS HB3 . 50623 1 1474 . 1 . 1 128 128 LYS HG2 H 1 1.628 0.020 . 2 . . . . . 128 LYS HG2 . 50623 1 1475 . 1 . 1 128 128 LYS HG3 H 1 1.628 0.020 . 2 . . . . . 128 LYS HG3 . 50623 1 1476 . 1 . 1 128 128 LYS HD2 H 1 1.387 0.020 . 2 . . . . . 128 LYS HD2 . 50623 1 1477 . 1 . 1 128 128 LYS HD3 H 1 1.387 0.020 . 2 . . . . . 128 LYS HD3 . 50623 1 1478 . 1 . 1 128 128 LYS HE2 H 1 3.988 0.020 . 2 . . . . . 128 LYS HE2 . 50623 1 1479 . 1 . 1 128 128 LYS HE3 H 1 3.988 0.020 . 2 . . . . . 128 LYS HE3 . 50623 1 1480 . 1 . 1 128 128 LYS C C 13 175.646 0.400 . 1 . . . . . 128 LYS C . 50623 1 1481 . 1 . 1 128 128 LYS CA C 13 59.530 0.400 . 1 . . . . . 128 LYS CA . 50623 1 1482 . 1 . 1 128 128 LYS CB C 13 32.002 0.400 . 1 . . . . . 128 LYS CB . 50623 1 1483 . 1 . 1 128 128 LYS CG C 13 25.108 0.400 . 1 . . . . . 128 LYS CG . 50623 1 1484 . 1 . 1 128 128 LYS CD C 13 28.967 0.400 . 1 . . . . . 128 LYS CD . 50623 1 1485 . 1 . 1 128 128 LYS CE C 13 42.272 0.400 . 1 . . . . . 128 LYS CE . 50623 1 1486 . 1 . 1 128 128 LYS N N 15 120.434 0.400 . 1 . . . . . 128 LYS N . 50623 1 1487 . 1 . 1 129 129 GLN H H 1 7.336 0.020 . 1 . . . . . 129 GLN H . 50623 1 1488 . 1 . 1 129 129 GLN HA H 1 4.023 0.020 . 1 . . . . . 129 GLN HA . 50623 1 1489 . 1 . 1 129 129 GLN HB2 H 1 1.881 0.020 . 2 . . . . . 129 GLN HB2 . 50623 1 1490 . 1 . 1 129 129 GLN HB3 H 1 2.011 0.020 . 2 . . . . . 129 GLN HB3 . 50623 1 1491 . 1 . 1 129 129 GLN HG2 H 1 2.305 0.020 . 2 . . . . . 129 GLN HG2 . 50623 1 1492 . 1 . 1 129 129 GLN HG3 H 1 2.305 0.020 . 2 . . . . . 129 GLN HG3 . 50623 1 1493 . 1 . 1 129 129 GLN HE21 H 1 6.869 0.020 . 2 . . . . . 129 GLN HE21 . 50623 1 1494 . 1 . 1 129 129 GLN HE22 H 1 7.530 0.020 . 2 . . . . . 129 GLN HE22 . 50623 1 1495 . 1 . 1 129 129 GLN C C 13 176.568 0.400 . 1 . . . . . 129 GLN C . 50623 1 1496 . 1 . 1 129 129 GLN CA C 13 58.625 0.400 . 1 . . . . . 129 GLN CA . 50623 1 1497 . 1 . 1 129 129 GLN CB C 13 28.735 0.400 . 1 . . . . . 129 GLN CB . 50623 1 1498 . 1 . 1 129 129 GLN CG C 13 34.500 0.400 . 1 . . . . . 129 GLN CG . 50623 1 1499 . 1 . 1 129 129 GLN N N 15 117.578 0.400 . 1 . . . . . 129 GLN N . 50623 1 1500 . 1 . 1 129 129 GLN NE2 N 15 111.473 0.400 . 1 . . . . . 129 GLN NE2 . 50623 1 1501 . 1 . 1 130 130 ALA H H 1 7.074 0.020 . 1 . . . . . 130 ALA H . 50623 1 1502 . 1 . 1 130 130 ALA HA H 1 3.846 0.020 . 1 . . . . . 130 ALA HA . 50623 1 1503 . 1 . 1 130 130 ALA HB1 H 1 0.648 0.020 . 1 . . . . . 130 ALA HB1 . 50623 1 1504 . 1 . 1 130 130 ALA HB2 H 1 0.648 0.020 . 1 . . . . . 130 ALA HB2 . 50623 1 1505 . 1 . 1 130 130 ALA HB3 H 1 0.648 0.020 . 1 . . . . . 130 ALA HB3 . 50623 1 1506 . 1 . 1 130 130 ALA C C 13 175.359 0.400 . 1 . . . . . 130 ALA C . 50623 1 1507 . 1 . 1 130 130 ALA CA C 13 54.912 0.400 . 1 . . . . . 130 ALA CA . 50623 1 1508 . 1 . 1 130 130 ALA CB C 13 18.668 0.400 . 1 . . . . . 130 ALA CB . 50623 1 1509 . 1 . 1 130 130 ALA N N 15 122.498 0.400 . 1 . . . . . 130 ALA N . 50623 1 1510 . 1 . 1 131 131 GLN H H 1 8.414 0.020 . 1 . . . . . 131 GLN H . 50623 1 1511 . 1 . 1 131 131 GLN HA H 1 3.790 0.020 . 1 . . . . . 131 GLN HA . 50623 1 1512 . 1 . 1 131 131 GLN HB2 H 1 1.981 0.020 . 2 . . . . . 131 GLN HB2 . 50623 1 1513 . 1 . 1 131 131 GLN HB3 H 1 2.224 0.020 . 2 . . . . . 131 GLN HB3 . 50623 1 1514 . 1 . 1 131 131 GLN HG2 H 1 2.518 0.020 . 2 . . . . . 131 GLN HG2 . 50623 1 1515 . 1 . 1 131 131 GLN HG3 H 1 2.518 0.020 . 2 . . . . . 131 GLN HG3 . 50623 1 1516 . 1 . 1 131 131 GLN C C 13 176.762 0.400 . 1 . . . . . 131 GLN C . 50623 1 1517 . 1 . 1 131 131 GLN CA C 13 59.025 0.400 . 1 . . . . . 131 GLN CA . 50623 1 1518 . 1 . 1 131 131 GLN CB C 13 28.550 0.400 . 1 . . . . . 131 GLN CB . 50623 1 1519 . 1 . 1 131 131 GLN CG C 13 34.552 0.400 . 1 . . . . . 131 GLN CG . 50623 1 1520 . 1 . 1 131 131 GLN N N 15 117.762 0.400 . 1 . . . . . 131 GLN N . 50623 1 1521 . 1 . 1 132 132 ASP H H 1 8.496 0.020 . 1 . . . . . 132 ASP H . 50623 1 1522 . 1 . 1 132 132 ASP HA H 1 4.328 0.020 . 1 . . . . . 132 ASP HA . 50623 1 1523 . 1 . 1 132 132 ASP HB2 H 1 2.534 0.020 . 2 . . . . . 132 ASP HB2 . 50623 1 1524 . 1 . 1 132 132 ASP HB3 H 1 2.727 0.020 . 2 . . . . . 132 ASP HB3 . 50623 1 1525 . 1 . 1 132 132 ASP C C 13 176.243 0.400 . 1 . . . . . 132 ASP C . 50623 1 1526 . 1 . 1 132 132 ASP CA C 13 57.324 0.400 . 1 . . . . . 132 ASP CA . 50623 1 1527 . 1 . 1 132 132 ASP CB C 13 39.799 0.400 . 1 . . . . . 132 ASP CB . 50623 1 1528 . 1 . 1 132 132 ASP N N 15 120.442 0.400 . 1 . . . . . 132 ASP N . 50623 1 1529 . 1 . 1 133 133 LEU H H 1 7.515 0.020 . 1 . . . . . 133 LEU H . 50623 1 1530 . 1 . 1 133 133 LEU HA H 1 3.841 0.020 . 1 . . . . . 133 LEU HA . 50623 1 1531 . 1 . 1 133 133 LEU HB2 H 1 1.433 0.020 . 2 . . . . . 133 LEU HB2 . 50623 1 1532 . 1 . 1 133 133 LEU HB3 H 1 1.721 0.020 . 2 . . . . . 133 LEU HB3 . 50623 1 1533 . 1 . 1 133 133 LEU HG H 1 1.721 0.020 . 1 . . . . . 133 LEU HG . 50623 1 1534 . 1 . 1 133 133 LEU HD11 H 1 0.411 0.020 . 2 . . . . . 133 LEU HD11 . 50623 1 1535 . 1 . 1 133 133 LEU HD12 H 1 0.411 0.020 . 2 . . . . . 133 LEU HD12 . 50623 1 1536 . 1 . 1 133 133 LEU HD13 H 1 0.411 0.020 . 2 . . . . . 133 LEU HD13 . 50623 1 1537 . 1 . 1 133 133 LEU HD21 H 1 0.799 0.020 . 2 . . . . . 133 LEU HD21 . 50623 1 1538 . 1 . 1 133 133 LEU HD22 H 1 0.799 0.020 . 2 . . . . . 133 LEU HD22 . 50623 1 1539 . 1 . 1 133 133 LEU HD23 H 1 0.799 0.020 . 2 . . . . . 133 LEU HD23 . 50623 1 1540 . 1 . 1 133 133 LEU C C 13 176.276 0.400 . 1 . . . . . 133 LEU C . 50623 1 1541 . 1 . 1 133 133 LEU CA C 13 57.787 0.400 . 1 . . . . . 133 LEU CA . 50623 1 1542 . 1 . 1 133 133 LEU CB C 13 41.604 0.400 . 1 . . . . . 133 LEU CB . 50623 1 1543 . 1 . 1 133 133 LEU CG C 13 26.235 0.400 . 1 . . . . . 133 LEU CG . 50623 1 1544 . 1 . 1 133 133 LEU CD1 C 13 26.235 0.400 . 2 . . . . . 133 LEU CD1 . 50623 1 1545 . 1 . 1 133 133 LEU CD2 C 13 26.235 0.400 . 2 . . . . . 133 LEU CD2 . 50623 1 1546 . 1 . 1 133 133 LEU N N 15 123.498 0.400 . 1 . . . . . 133 LEU N . 50623 1 1547 . 1 . 1 134 134 ALA H H 1 8.234 0.020 . 1 . . . . . 134 ALA H . 50623 1 1548 . 1 . 1 134 134 ALA HA H 1 3.762 0.020 . 1 . . . . . 134 ALA HA . 50623 1 1549 . 1 . 1 134 134 ALA HB1 H 1 1.718 0.020 . 1 . . . . . 134 ALA HB1 . 50623 1 1550 . 1 . 1 134 134 ALA HB2 H 1 1.718 0.020 . 1 . . . . . 134 ALA HB2 . 50623 1 1551 . 1 . 1 134 134 ALA HB3 H 1 1.718 0.020 . 1 . . . . . 134 ALA HB3 . 50623 1 1552 . 1 . 1 134 134 ALA C C 13 177.204 0.400 . 1 . . . . . 134 ALA C . 50623 1 1553 . 1 . 1 134 134 ALA CA C 13 55.882 0.400 . 1 . . . . . 134 ALA CA . 50623 1 1554 . 1 . 1 134 134 ALA CB C 13 18.183 0.400 . 1 . . . . . 134 ALA CB . 50623 1 1555 . 1 . 1 134 134 ALA N N 15 121.604 0.400 . 1 . . . . . 134 ALA N . 50623 1 1556 . 1 . 1 135 135 ARG H H 1 8.484 0.020 . 1 . . . . . 135 ARG H . 50623 1 1557 . 1 . 1 135 135 ARG HA H 1 4.113 0.020 . 1 . . . . . 135 ARG HA . 50623 1 1558 . 1 . 1 135 135 ARG HB2 H 1 1.931 0.020 . 2 . . . . . 135 ARG HB2 . 50623 1 1559 . 1 . 1 135 135 ARG HB3 H 1 1.931 0.020 . 2 . . . . . 135 ARG HB3 . 50623 1 1560 . 1 . 1 135 135 ARG HG2 H 1 1.677 0.020 . 2 . . . . . 135 ARG HG2 . 50623 1 1561 . 1 . 1 135 135 ARG HG3 H 1 1.677 0.020 . 2 . . . . . 135 ARG HG3 . 50623 1 1562 . 1 . 1 135 135 ARG HD2 H 1 3.224 0.020 . 2 . . . . . 135 ARG HD2 . 50623 1 1563 . 1 . 1 135 135 ARG HD3 H 1 3.224 0.020 . 2 . . . . . 135 ARG HD3 . 50623 1 1564 . 1 . 1 135 135 ARG C C 13 177.345 0.400 . 1 . . . . . 135 ARG C . 50623 1 1565 . 1 . 1 135 135 ARG CA C 13 59.301 0.400 . 1 . . . . . 135 ARG CA . 50623 1 1566 . 1 . 1 135 135 ARG CB C 13 29.709 0.400 . 1 . . . . . 135 ARG CB . 50623 1 1567 . 1 . 1 135 135 ARG CG C 13 27.722 0.400 . 1 . . . . . 135 ARG CG . 50623 1 1568 . 1 . 1 135 135 ARG CD C 13 43.350 0.400 . 1 . . . . . 135 ARG CD . 50623 1 1569 . 1 . 1 135 135 ARG N N 15 118.327 0.400 . 1 . . . . . 135 ARG N . 50623 1 1570 . 1 . 1 136 136 SER H H 1 7.934 0.020 . 1 . . . . . 136 SER H . 50623 1 1571 . 1 . 1 136 136 SER HA H 1 4.236 0.020 . 1 . . . . . 136 SER HA . 50623 1 1572 . 1 . 1 136 136 SER HB2 H 1 3.898 0.020 . 2 . . . . . 136 SER HB2 . 50623 1 1573 . 1 . 1 136 136 SER HB3 H 1 3.898 0.020 . 2 . . . . . 136 SER HB3 . 50623 1 1574 . 1 . 1 136 136 SER C C 13 173.452 0.400 . 1 . . . . . 136 SER C . 50623 1 1575 . 1 . 1 136 136 SER CA C 13 61.526 0.400 . 1 . . . . . 136 SER CA . 50623 1 1576 . 1 . 1 136 136 SER CB C 13 62.519 0.400 . 1 . . . . . 136 SER CB . 50623 1 1577 . 1 . 1 136 136 SER N N 15 117.541 0.400 . 1 . . . . . 136 SER N . 50623 1 1578 . 1 . 1 137 137 TYR H H 1 7.564 0.020 . 1 . . . . . 137 TYR H . 50623 1 1579 . 1 . 1 137 137 TYR HA H 1 4.889 0.020 . 1 . . . . . 137 TYR HA . 50623 1 1580 . 1 . 1 137 137 TYR HB2 H 1 3.062 0.020 . 2 . . . . . 137 TYR HB2 . 50623 1 1581 . 1 . 1 137 137 TYR HB3 H 1 3.239 0.020 . 2 . . . . . 137 TYR HB3 . 50623 1 1582 . 1 . 1 137 137 TYR HD1 H 1 6.763 0.020 . 1 . . . . . 137 TYR HD1 . 50623 1 1583 . 1 . 1 137 137 TYR HD2 H 1 6.763 0.020 . 1 . . . . . 137 TYR HD2 . 50623 1 1584 . 1 . 1 137 137 TYR HE1 H 1 6.556 0.020 . 1 . . . . . 137 TYR HE1 . 50623 1 1585 . 1 . 1 137 137 TYR HE2 H 1 6.556 0.020 . 1 . . . . . 137 TYR HE2 . 50623 1 1586 . 1 . 1 137 137 TYR C C 13 173.552 0.400 . 1 . . . . . 137 TYR C . 50623 1 1587 . 1 . 1 137 137 TYR CA C 13 54.783 0.400 . 1 . . . . . 137 TYR CA . 50623 1 1588 . 1 . 1 137 137 TYR CB C 13 38.801 0.400 . 1 . . . . . 137 TYR CB . 50623 1 1589 . 1 . 1 137 137 TYR N N 15 119.796 0.400 . 1 . . . . . 137 TYR N . 50623 1 1590 . 1 . 1 138 138 GLY H H 1 8.278 0.020 . 1 . . . . . 138 GLY H . 50623 1 1591 . 1 . 1 138 138 GLY HA2 H 1 3.985 0.020 . 2 . . . . . 138 GLY HA2 . 50623 1 1592 . 1 . 1 138 138 GLY HA3 H 1 4.135 0.020 . 2 . . . . . 138 GLY HA3 . 50623 1 1593 . 1 . 1 138 138 GLY C C 13 172.510 0.400 . 1 . . . . . 138 GLY C . 50623 1 1594 . 1 . 1 138 138 GLY CA C 13 46.550 0.400 . 1 . . . . . 138 GLY CA . 50623 1 1595 . 1 . 1 138 138 GLY N N 15 111.173 0.400 . 1 . . . . . 138 GLY N . 50623 1 1596 . 1 . 1 139 139 ILE H H 1 8.030 0.020 . 1 . . . . . 139 ILE H . 50623 1 1597 . 1 . 1 139 139 ILE HA H 1 5.222 0.020 . 1 . . . . . 139 ILE HA . 50623 1 1598 . 1 . 1 139 139 ILE HB H 1 2.428 0.020 . 1 . . . . . 139 ILE HB . 50623 1 1599 . 1 . 1 139 139 ILE CA C 13 58.463 0.400 . 1 . . . . . 139 ILE CA . 50623 1 1600 . 1 . 1 139 139 ILE CB C 13 38.550 0.400 . 1 . . . . . 139 ILE CB . 50623 1 1601 . 1 . 1 139 139 ILE N N 15 113.091 0.400 . 1 . . . . . 139 ILE N . 50623 1 1602 . 1 . 1 140 140 PRO HA H 1 4.632 0.020 . 1 . . . . . 140 PRO HA . 50623 1 1603 . 1 . 1 140 140 PRO HB2 H 1 1.698 0.020 . 2 . . . . . 140 PRO HB2 . 50623 1 1604 . 1 . 1 140 140 PRO HB3 H 1 2.513 0.020 . 2 . . . . . 140 PRO HB3 . 50623 1 1605 . 1 . 1 140 140 PRO HG2 H 1 1.938 0.020 . 2 . . . . . 140 PRO HG2 . 50623 1 1606 . 1 . 1 140 140 PRO HG3 H 1 1.938 0.020 . 2 . . . . . 140 PRO HG3 . 50623 1 1607 . 1 . 1 140 140 PRO HD2 H 1 3.970 0.020 . 2 . . . . . 140 PRO HD2 . 50623 1 1608 . 1 . 1 140 140 PRO HD3 H 1 3.970 0.020 . 2 . . . . . 140 PRO HD3 . 50623 1 1609 . 1 . 1 140 140 PRO C C 13 174.108 0.400 . 1 . . . . . 140 PRO C . 50623 1 1610 . 1 . 1 140 140 PRO CA C 13 62.375 0.400 . 1 . . . . . 140 PRO CA . 50623 1 1611 . 1 . 1 140 140 PRO CB C 13 33.085 0.400 . 1 . . . . . 140 PRO CB . 50623 1 1612 . 1 . 1 140 140 PRO CG C 13 28.233 0.400 . 1 . . . . . 140 PRO CG . 50623 1 1613 . 1 . 1 141 141 PHE H H 1 8.274 0.020 . 1 . . . . . 141 PHE H . 50623 1 1614 . 1 . 1 141 141 PHE HA H 1 6.089 0.020 . 1 . . . . . 141 PHE HA . 50623 1 1615 . 1 . 1 141 141 PHE HB2 H 1 2.774 0.020 . 2 . . . . . 141 PHE HB2 . 50623 1 1616 . 1 . 1 141 141 PHE HB3 H 1 3.067 0.020 . 2 . . . . . 141 PHE HB3 . 50623 1 1617 . 1 . 1 141 141 PHE HD1 H 1 7.144 0.020 . 1 . . . . . 141 PHE HD1 . 50623 1 1618 . 1 . 1 141 141 PHE HD2 H 1 7.144 0.020 . 1 . . . . . 141 PHE HD2 . 50623 1 1619 . 1 . 1 141 141 PHE C C 13 171.095 0.400 . 1 . . . . . 141 PHE C . 50623 1 1620 . 1 . 1 141 141 PHE CA C 13 54.767 0.400 . 1 . . . . . 141 PHE CA . 50623 1 1621 . 1 . 1 141 141 PHE CB C 13 42.238 0.400 . 1 . . . . . 141 PHE CB . 50623 1 1622 . 1 . 1 141 141 PHE N N 15 120.331 0.400 . 1 . . . . . 141 PHE N . 50623 1 1623 . 1 . 1 142 142 ILE H H 1 8.386 0.020 . 1 . . . . . 142 ILE H . 50623 1 1624 . 1 . 1 142 142 ILE HA H 1 3.872 0.020 . 1 . . . . . 142 ILE HA . 50623 1 1625 . 1 . 1 142 142 ILE HB H 1 1.298 0.020 . 1 . . . . . 142 ILE HB . 50623 1 1626 . 1 . 1 142 142 ILE HG12 H 1 1.037 0.020 . 2 . . . . . 142 ILE HG12 . 50623 1 1627 . 1 . 1 142 142 ILE HG13 H 1 1.289 0.020 . 2 . . . . . 142 ILE HG13 . 50623 1 1628 . 1 . 1 142 142 ILE HG21 H 1 1.298 0.020 . 1 . . . . . 142 ILE HG21 . 50623 1 1629 . 1 . 1 142 142 ILE HG22 H 1 1.298 0.020 . 1 . . . . . 142 ILE HG22 . 50623 1 1630 . 1 . 1 142 142 ILE HG23 H 1 1.298 0.020 . 1 . . . . . 142 ILE HG23 . 50623 1 1631 . 1 . 1 142 142 ILE HD11 H 1 0.638 0.020 . 1 . . . . . 142 ILE HD11 . 50623 1 1632 . 1 . 1 142 142 ILE HD12 H 1 0.638 0.020 . 1 . . . . . 142 ILE HD12 . 50623 1 1633 . 1 . 1 142 142 ILE HD13 H 1 0.638 0.020 . 1 . . . . . 142 ILE HD13 . 50623 1 1634 . 1 . 1 142 142 ILE C C 13 170.106 0.400 . 1 . . . . . 142 ILE C . 50623 1 1635 . 1 . 1 142 142 ILE CA C 13 59.246 0.400 . 1 . . . . . 142 ILE CA . 50623 1 1636 . 1 . 1 142 142 ILE CB C 13 42.481 0.400 . 1 . . . . . 142 ILE CB . 50623 1 1637 . 1 . 1 142 142 ILE CG1 C 13 28.260 0.400 . 1 . . . . . 142 ILE CG1 . 50623 1 1638 . 1 . 1 142 142 ILE CG2 C 13 17.148 0.400 . 1 . . . . . 142 ILE CG2 . 50623 1 1639 . 1 . 1 142 142 ILE CD1 C 13 13.639 0.400 . 1 . . . . . 142 ILE CD1 . 50623 1 1640 . 1 . 1 142 142 ILE N N 15 129.908 0.400 . 1 . . . . . 142 ILE N . 50623 1 1641 . 1 . 1 143 143 GLU H H 1 7.777 0.020 . 1 . . . . . 143 GLU H . 50623 1 1642 . 1 . 1 143 143 GLU HA H 1 4.678 0.020 . 1 . . . . . 143 GLU HA . 50623 1 1643 . 1 . 1 143 143 GLU HB2 H 1 1.659 0.020 . 2 . . . . . 143 GLU HB2 . 50623 1 1644 . 1 . 1 143 143 GLU HB3 H 1 2.069 0.020 . 2 . . . . . 143 GLU HB3 . 50623 1 1645 . 1 . 1 143 143 GLU HG2 H 1 2.234 0.020 . 2 . . . . . 143 GLU HG2 . 50623 1 1646 . 1 . 1 143 143 GLU HG3 H 1 2.234 0.020 . 2 . . . . . 143 GLU HG3 . 50623 1 1647 . 1 . 1 143 143 GLU C C 13 173.500 0.400 . 1 . . . . . 143 GLU C . 50623 1 1648 . 1 . 1 143 143 GLU CA C 13 55.429 0.400 . 1 . . . . . 143 GLU CA . 50623 1 1649 . 1 . 1 143 143 GLU CB C 13 30.816 0.400 . 1 . . . . . 143 GLU CB . 50623 1 1650 . 1 . 1 143 143 GLU CG C 13 39.157 0.400 . 1 . . . . . 143 GLU CG . 50623 1 1651 . 1 . 1 143 143 GLU N N 15 125.139 0.400 . 1 . . . . . 143 GLU N . 50623 1 1652 . 1 . 1 144 144 THR H H 1 8.765 0.020 . 1 . . . . . 144 THR H . 50623 1 1653 . 1 . 1 144 144 THR HA H 1 5.012 0.020 . 1 . . . . . 144 THR HA . 50623 1 1654 . 1 . 1 144 144 THR HB H 1 3.910 0.020 . 1 . . . . . 144 THR HB . 50623 1 1655 . 1 . 1 144 144 THR HG21 H 1 0.648 0.020 . 1 . . . . . 144 THR HG21 . 50623 1 1656 . 1 . 1 144 144 THR HG22 H 1 0.648 0.020 . 1 . . . . . 144 THR HG22 . 50623 1 1657 . 1 . 1 144 144 THR HG23 H 1 0.648 0.020 . 1 . . . . . 144 THR HG23 . 50623 1 1658 . 1 . 1 144 144 THR C C 13 173.500 0.400 . 1 . . . . . 144 THR C . 50623 1 1659 . 1 . 1 144 144 THR CA C 13 59.717 0.400 . 1 . . . . . 144 THR CA . 50623 1 1660 . 1 . 1 144 144 THR CB C 13 73.805 0.400 . 1 . . . . . 144 THR CB . 50623 1 1661 . 1 . 1 144 144 THR CG2 C 13 22.214 0.400 . 1 . . . . . 144 THR CG2 . 50623 1 1662 . 1 . 1 144 144 THR N N 15 112.228 0.400 . 1 . . . . . 144 THR N . 50623 1 1663 . 1 . 1 145 145 SER H H 1 8.772 0.020 . 1 . . . . . 145 SER H . 50623 1 1664 . 1 . 1 145 145 SER HA H 1 4.850 0.020 . 1 . . . . . 145 SER HA . 50623 1 1665 . 1 . 1 145 145 SER HB2 H 1 4.011 0.020 . 2 . . . . . 145 SER HB2 . 50623 1 1666 . 1 . 1 145 145 SER HB3 H 1 3.990 0.020 . 2 . . . . . 145 SER HB3 . 50623 1 1667 . 1 . 1 145 145 SER C C 13 172.988 0.400 . 1 . . . . . 145 SER C . 50623 1 1668 . 1 . 1 145 145 SER CA C 13 57.415 0.400 . 1 . . . . . 145 SER CA . 50623 1 1669 . 1 . 1 145 145 SER CB C 13 64.610 0.400 . 1 . . . . . 145 SER CB . 50623 1 1670 . 1 . 1 145 145 SER N N 15 112.555 0.400 . 1 . . . . . 145 SER N . 50623 1 1671 . 1 . 1 146 146 ALA H H 1 9.154 0.020 . 1 . . . . . 146 ALA H . 50623 1 1672 . 1 . 1 146 146 ALA HA H 1 3.853 0.020 . 1 . . . . . 146 ALA HA . 50623 1 1673 . 1 . 1 146 146 ALA HB1 H 1 1.548 0.020 . 1 . . . . . 146 ALA HB1 . 50623 1 1674 . 1 . 1 146 146 ALA HB2 H 1 1.548 0.020 . 1 . . . . . 146 ALA HB2 . 50623 1 1675 . 1 . 1 146 146 ALA HB3 H 1 1.548 0.020 . 1 . . . . . 146 ALA HB3 . 50623 1 1676 . 1 . 1 146 146 ALA C C 13 173.156 0.400 . 1 . . . . . 146 ALA C . 50623 1 1677 . 1 . 1 146 146 ALA CA C 13 54.617 0.400 . 1 . . . . . 146 ALA CA . 50623 1 1678 . 1 . 1 146 146 ALA CB C 13 18.529 0.400 . 1 . . . . . 146 ALA CB . 50623 1 1679 . 1 . 1 146 146 ALA N N 15 132.372 0.400 . 1 . . . . . 146 ALA N . 50623 1 1680 . 1 . 1 147 147 LYS H H 1 7.013 0.020 . 1 . . . . . 147 LYS H . 50623 1 1681 . 1 . 1 147 147 LYS HA H 1 2.477 0.020 . 1 . . . . . 147 LYS HA . 50623 1 1682 . 1 . 1 147 147 LYS HB2 H 1 0.998 0.020 . 2 . . . . . 147 LYS HB2 . 50623 1 1683 . 1 . 1 147 147 LYS HB3 H 1 0.257 0.020 . 2 . . . . . 147 LYS HB3 . 50623 1 1684 . 1 . 1 147 147 LYS HG2 H 1 0.620 0.020 . 2 . . . . . 147 LYS HG2 . 50623 1 1685 . 1 . 1 147 147 LYS HG3 H 1 0.620 0.020 . 2 . . . . . 147 LYS HG3 . 50623 1 1686 . 1 . 1 147 147 LYS HD2 H 1 1.289 0.020 . 2 . . . . . 147 LYS HD2 . 50623 1 1687 . 1 . 1 147 147 LYS HD3 H 1 1.289 0.020 . 2 . . . . . 147 LYS HD3 . 50623 1 1688 . 1 . 1 147 147 LYS HE2 H 1 2.719 0.020 . 2 . . . . . 147 LYS HE2 . 50623 1 1689 . 1 . 1 147 147 LYS HE3 H 1 2.719 0.020 . 2 . . . . . 147 LYS HE3 . 50623 1 1690 . 1 . 1 147 147 LYS C C 13 174.295 0.400 . 1 . . . . . 147 LYS C . 50623 1 1691 . 1 . 1 147 147 LYS CA C 13 58.385 0.400 . 1 . . . . . 147 LYS CA . 50623 1 1692 . 1 . 1 147 147 LYS CB C 13 33.901 0.400 . 1 . . . . . 147 LYS CB . 50623 1 1693 . 1 . 1 147 147 LYS CG C 13 24.768 0.400 . 1 . . . . . 147 LYS CG . 50623 1 1694 . 1 . 1 147 147 LYS CD C 13 29.771 0.400 . 1 . . . . . 147 LYS CD . 50623 1 1695 . 1 . 1 147 147 LYS CE C 13 42.148 0.400 . 1 . . . . . 147 LYS CE . 50623 1 1696 . 1 . 1 147 147 LYS N N 15 116.344 0.400 . 1 . . . . . 147 LYS N . 50623 1 1697 . 1 . 1 148 148 THR H H 1 7.681 0.020 . 1 . . . . . 148 THR H . 50623 1 1698 . 1 . 1 148 148 THR HA H 1 4.395 0.020 . 1 . . . . . 148 THR HA . 50623 1 1699 . 1 . 1 148 148 THR HB H 1 4.100 0.020 . 1 . . . . . 148 THR HB . 50623 1 1700 . 1 . 1 148 148 THR HG21 H 1 1.015 0.020 . 1 . . . . . 148 THR HG21 . 50623 1 1701 . 1 . 1 148 148 THR HG22 H 1 1.015 0.020 . 1 . . . . . 148 THR HG22 . 50623 1 1702 . 1 . 1 148 148 THR HG23 H 1 1.015 0.020 . 1 . . . . . 148 THR HG23 . 50623 1 1703 . 1 . 1 148 148 THR C C 13 173.107 0.400 . 1 . . . . . 148 THR C . 50623 1 1704 . 1 . 1 148 148 THR CA C 13 61.391 0.400 . 1 . . . . . 148 THR CA . 50623 1 1705 . 1 . 1 148 148 THR CB C 13 69.625 0.400 . 1 . . . . . 148 THR CB . 50623 1 1706 . 1 . 1 148 148 THR CG2 C 13 21.230 0.400 . 1 . . . . . 148 THR CG2 . 50623 1 1707 . 1 . 1 148 148 THR N N 15 106.568 0.400 . 1 . . . . . 148 THR N . 50623 1 1708 . 1 . 1 149 149 ARG H H 1 7.797 0.020 . 1 . . . . . 149 ARG H . 50623 1 1709 . 1 . 1 149 149 ARG HA H 1 3.444 0.020 . 1 . . . . . 149 ARG HA . 50623 1 1710 . 1 . 1 149 149 ARG HB2 H 1 2.189 0.020 . 2 . . . . . 149 ARG HB2 . 50623 1 1711 . 1 . 1 149 149 ARG HB3 H 1 1.642 0.020 . 2 . . . . . 149 ARG HB3 . 50623 1 1712 . 1 . 1 149 149 ARG HG2 H 1 1.120 0.020 . 2 . . . . . 149 ARG HG2 . 50623 1 1713 . 1 . 1 149 149 ARG HG3 H 1 1.935 0.020 . 2 . . . . . 149 ARG HG3 . 50623 1 1714 . 1 . 1 149 149 ARG HD2 H 1 3.078 0.020 . 2 . . . . . 149 ARG HD2 . 50623 1 1715 . 1 . 1 149 149 ARG HD3 H 1 3.078 0.020 . 2 . . . . . 149 ARG HD3 . 50623 1 1716 . 1 . 1 149 149 ARG C C 13 173.100 0.400 . 1 . . . . . 149 ARG C . 50623 1 1717 . 1 . 1 149 149 ARG CA C 13 58.935 0.400 . 1 . . . . . 149 ARG CA . 50623 1 1718 . 1 . 1 149 149 ARG CB C 13 30.577 0.400 . 1 . . . . . 149 ARG CB . 50623 1 1719 . 1 . 1 149 149 ARG CG C 13 32.881 0.400 . 1 . . . . . 149 ARG CG . 50623 1 1720 . 1 . 1 149 149 ARG CD C 13 43.319 0.400 . 1 . . . . . 149 ARG CD . 50623 1 1721 . 1 . 1 149 149 ARG N N 15 119.747 0.400 . 1 . . . . . 149 ARG N . 50623 1 1722 . 1 . 1 150 150 GLN H H 1 7.790 0.020 . 1 . . . . . 150 GLN H . 50623 1 1723 . 1 . 1 150 150 GLN HA H 1 4.043 0.020 . 1 . . . . . 150 GLN HA . 50623 1 1724 . 1 . 1 150 150 GLN HB2 H 1 1.576 0.020 . 2 . . . . . 150 GLN HB2 . 50623 1 1725 . 1 . 1 150 150 GLN HB3 H 1 1.960 0.020 . 2 . . . . . 150 GLN HB3 . 50623 1 1726 . 1 . 1 150 150 GLN HG2 H 1 2.061 0.020 . 2 . . . . . 150 GLN HG2 . 50623 1 1727 . 1 . 1 150 150 GLN HG3 H 1 2.267 0.020 . 2 . . . . . 150 GLN HG3 . 50623 1 1728 . 1 . 1 150 150 GLN HE21 H 1 6.800 0.020 . 2 . . . . . 150 GLN HE21 . 50623 1 1729 . 1 . 1 150 150 GLN HE22 H 1 7.322 0.020 . 2 . . . . . 150 GLN HE22 . 50623 1 1730 . 1 . 1 150 150 GLN C C 13 174.378 0.400 . 1 . . . . . 150 GLN C . 50623 1 1731 . 1 . 1 150 150 GLN CA C 13 57.356 0.400 . 1 . . . . . 150 GLN CA . 50623 1 1732 . 1 . 1 150 150 GLN CB C 13 28.559 0.400 . 1 . . . . . 150 GLN CB . 50623 1 1733 . 1 . 1 150 150 GLN CG C 13 32.786 0.400 . 1 . . . . . 150 GLN CG . 50623 1 1734 . 1 . 1 150 150 GLN N N 15 124.297 0.400 . 1 . . . . . 150 GLN N . 50623 1 1735 . 1 . 1 150 150 GLN NE2 N 15 112.232 0.400 . 1 . . . . . 150 GLN NE2 . 50623 1 1736 . 1 . 1 151 151 GLY H H 1 8.899 0.020 . 1 . . . . . 151 GLY H . 50623 1 1737 . 1 . 1 151 151 GLY HA2 H 1 3.796 0.020 . 2 . . . . . 151 GLY HA2 . 50623 1 1738 . 1 . 1 151 151 GLY HA3 H 1 4.058 0.020 . 2 . . . . . 151 GLY HA3 . 50623 1 1739 . 1 . 1 151 151 GLY C C 13 170.782 0.400 . 1 . . . . . 151 GLY C . 50623 1 1740 . 1 . 1 151 151 GLY CA C 13 46.847 0.400 . 1 . . . . . 151 GLY CA . 50623 1 1741 . 1 . 1 151 151 GLY N N 15 115.442 0.400 . 1 . . . . . 151 GLY N . 50623 1 1742 . 1 . 1 152 152 VAL H H 1 7.017 0.020 . 1 . . . . . 152 VAL H . 50623 1 1743 . 1 . 1 152 152 VAL HA H 1 3.185 0.020 . 1 . . . . . 152 VAL HA . 50623 1 1744 . 1 . 1 152 152 VAL HB H 1 1.774 0.020 . 1 . . . . . 152 VAL HB . 50623 1 1745 . 1 . 1 152 152 VAL HG11 H 1 0.742 0.020 . 2 . . . . . 152 VAL HG11 . 50623 1 1746 . 1 . 1 152 152 VAL HG12 H 1 0.742 0.020 . 2 . . . . . 152 VAL HG12 . 50623 1 1747 . 1 . 1 152 152 VAL HG13 H 1 0.742 0.020 . 2 . . . . . 152 VAL HG13 . 50623 1 1748 . 1 . 1 152 152 VAL HG21 H 1 0.742 0.020 . 2 . . . . . 152 VAL HG21 . 50623 1 1749 . 1 . 1 152 152 VAL HG22 H 1 0.742 0.020 . 2 . . . . . 152 VAL HG22 . 50623 1 1750 . 1 . 1 152 152 VAL HG23 H 1 0.742 0.020 . 2 . . . . . 152 VAL HG23 . 50623 1 1751 . 1 . 1 152 152 VAL C C 13 175.686 0.400 . 1 . . . . . 152 VAL C . 50623 1 1752 . 1 . 1 152 152 VAL CA C 13 68.299 0.400 . 1 . . . . . 152 VAL CA . 50623 1 1753 . 1 . 1 152 152 VAL CB C 13 31.772 0.400 . 1 . . . . . 152 VAL CB . 50623 1 1754 . 1 . 1 152 152 VAL CG1 C 13 21.039 0.400 . 2 . . . . . 152 VAL CG1 . 50623 1 1755 . 1 . 1 152 152 VAL CG2 C 13 24.903 0.400 . 2 . . . . . 152 VAL CG2 . 50623 1 1756 . 1 . 1 152 152 VAL N N 15 120.611 0.400 . 1 . . . . . 152 VAL N . 50623 1 1757 . 1 . 1 153 153 ASP H H 1 7.938 0.020 . 1 . . . . . 153 ASP H . 50623 1 1758 . 1 . 1 153 153 ASP HA H 1 3.816 0.020 . 1 . . . . . 153 ASP HA . 50623 1 1759 . 1 . 1 153 153 ASP HB2 H 1 2.166 0.020 . 2 . . . . . 153 ASP HB2 . 50623 1 1760 . 1 . 1 153 153 ASP HB3 H 1 2.167 0.020 . 2 . . . . . 153 ASP HB3 . 50623 1 1761 . 1 . 1 153 153 ASP C C 13 174.511 0.400 . 1 . . . . . 153 ASP C . 50623 1 1762 . 1 . 1 153 153 ASP CA C 13 57.420 0.400 . 1 . . . . . 153 ASP CA . 50623 1 1763 . 1 . 1 153 153 ASP CB C 13 39.278 0.400 . 1 . . . . . 153 ASP CB . 50623 1 1764 . 1 . 1 153 153 ASP N N 15 117.221 0.400 . 1 . . . . . 153 ASP N . 50623 1 1765 . 1 . 1 154 154 ASP H H 1 8.019 0.020 . 1 . . . . . 154 ASP H . 50623 1 1766 . 1 . 1 154 154 ASP HA H 1 4.113 0.020 . 1 . . . . . 154 ASP HA . 50623 1 1767 . 1 . 1 154 154 ASP HB2 H 1 2.436 0.020 . 2 . . . . . 154 ASP HB2 . 50623 1 1768 . 1 . 1 154 154 ASP HB3 H 1 2.436 0.020 . 2 . . . . . 154 ASP HB3 . 50623 1 1769 . 1 . 1 154 154 ASP C C 13 176.698 0.400 . 1 . . . . . 154 ASP C . 50623 1 1770 . 1 . 1 154 154 ASP CA C 13 57.285 0.400 . 1 . . . . . 154 ASP CA . 50623 1 1771 . 1 . 1 154 154 ASP CB C 13 40.174 0.400 . 1 . . . . . 154 ASP CB . 50623 1 1772 . 1 . 1 154 154 ASP N N 15 116.418 0.400 . 1 . . . . . 154 ASP N . 50623 1 1773 . 1 . 1 155 155 ALA H H 1 8.601 0.020 . 1 . . . . . 155 ALA H . 50623 1 1774 . 1 . 1 155 155 ALA HA H 1 3.711 0.020 . 1 . . . . . 155 ALA HA . 50623 1 1775 . 1 . 1 155 155 ALA HB1 H 1 1.089 0.020 . 1 . . . . . 155 ALA HB1 . 50623 1 1776 . 1 . 1 155 155 ALA HB2 H 1 1.089 0.020 . 1 . . . . . 155 ALA HB2 . 50623 1 1777 . 1 . 1 155 155 ALA HB3 H 1 1.089 0.020 . 1 . . . . . 155 ALA HB3 . 50623 1 1778 . 1 . 1 155 155 ALA C C 13 175.169 0.400 . 1 . . . . . 155 ALA C . 50623 1 1779 . 1 . 1 155 155 ALA CA C 13 56.336 0.400 . 1 . . . . . 155 ALA CA . 50623 1 1780 . 1 . 1 155 155 ALA CB C 13 17.419 0.400 . 1 . . . . . 155 ALA CB . 50623 1 1781 . 1 . 1 155 155 ALA N N 15 124.802 0.400 . 1 . . . . . 155 ALA N . 50623 1 1782 . 1 . 1 156 156 PHE H H 1 7.227 0.020 . 1 . . . . . 156 PHE H . 50623 1 1783 . 1 . 1 156 156 PHE HA H 1 3.893 0.020 . 1 . . . . . 156 PHE HA . 50623 1 1784 . 1 . 1 156 156 PHE HB2 H 1 2.633 0.020 . 2 . . . . . 156 PHE HB2 . 50623 1 1785 . 1 . 1 156 156 PHE HB3 H 1 2.836 0.020 . 2 . . . . . 156 PHE HB3 . 50623 1 1786 . 1 . 1 156 156 PHE HD1 H 1 6.893 0.020 . 1 . . . . . 156 PHE HD1 . 50623 1 1787 . 1 . 1 156 156 PHE HD2 H 1 6.893 0.020 . 1 . . . . . 156 PHE HD2 . 50623 1 1788 . 1 . 1 156 156 PHE C C 13 175.425 0.400 . 1 . . . . . 156 PHE C . 50623 1 1789 . 1 . 1 156 156 PHE CA C 13 63.030 0.400 . 1 . . . . . 156 PHE CA . 50623 1 1790 . 1 . 1 156 156 PHE CB C 13 39.385 0.400 . 1 . . . . . 156 PHE CB . 50623 1 1791 . 1 . 1 156 156 PHE N N 15 113.089 0.400 . 1 . . . . . 156 PHE N . 50623 1 1792 . 1 . 1 157 157 TYR H H 1 9.593 0.020 . 1 . . . . . 157 TYR H . 50623 1 1793 . 1 . 1 157 157 TYR HA H 1 4.315 0.020 . 1 . . . . . 157 TYR HA . 50623 1 1794 . 1 . 1 157 157 TYR HB2 H 1 2.902 0.020 . 2 . . . . . 157 TYR HB2 . 50623 1 1795 . 1 . 1 157 157 TYR HB3 H 1 3.265 0.020 . 2 . . . . . 157 TYR HB3 . 50623 1 1796 . 1 . 1 157 157 TYR HD1 H 1 6.886 0.020 . 1 . . . . . 157 TYR HD1 . 50623 1 1797 . 1 . 1 157 157 TYR HD2 H 1 6.886 0.020 . 1 . . . . . 157 TYR HD2 . 50623 1 1798 . 1 . 1 157 157 TYR HE1 H 1 6.650 0.020 . 1 . . . . . 157 TYR HE1 . 50623 1 1799 . 1 . 1 157 157 TYR HE2 H 1 6.650 0.020 . 1 . . . . . 157 TYR HE2 . 50623 1 1800 . 1 . 1 157 157 TYR C C 13 176.379 0.400 . 1 . . . . . 157 TYR C . 50623 1 1801 . 1 . 1 157 157 TYR CA C 13 58.653 0.400 . 1 . . . . . 157 TYR CA . 50623 1 1802 . 1 . 1 157 157 TYR CB C 13 35.399 0.400 . 1 . . . . . 157 TYR CB . 50623 1 1803 . 1 . 1 157 157 TYR N N 15 119.758 0.400 . 1 . . . . . 157 TYR N . 50623 1 1804 . 1 . 1 158 158 THR H H 1 8.598 0.020 . 1 . . . . . 158 THR H . 50623 1 1805 . 1 . 1 158 158 THR HA H 1 3.874 0.020 . 1 . . . . . 158 THR HA . 50623 1 1806 . 1 . 1 158 158 THR HB H 1 4.216 0.020 . 1 . . . . . 158 THR HB . 50623 1 1807 . 1 . 1 158 158 THR HG21 H 1 1.186 0.020 . 1 . . . . . 158 THR HG21 . 50623 1 1808 . 1 . 1 158 158 THR HG22 H 1 1.186 0.020 . 1 . . . . . 158 THR HG22 . 50623 1 1809 . 1 . 1 158 158 THR HG23 H 1 1.186 0.020 . 1 . . . . . 158 THR HG23 . 50623 1 1810 . 1 . 1 158 158 THR C C 13 173.040 0.400 . 1 . . . . . 158 THR C . 50623 1 1811 . 1 . 1 158 158 THR CA C 13 67.730 0.400 . 1 . . . . . 158 THR CA . 50623 1 1812 . 1 . 1 158 158 THR CB C 13 67.804 0.400 . 1 . . . . . 158 THR CB . 50623 1 1813 . 1 . 1 158 158 THR CG2 C 13 20.900 0.400 . 1 . . . . . 158 THR CG2 . 50623 1 1814 . 1 . 1 158 158 THR N N 15 116.658 0.400 . 1 . . . . . 158 THR N . 50623 1 1815 . 1 . 1 159 159 LEU H H 1 7.283 0.020 . 1 . . . . . 159 LEU H . 50623 1 1816 . 1 . 1 159 159 LEU HA H 1 3.869 0.020 . 1 . . . . . 159 LEU HA . 50623 1 1817 . 1 . 1 159 159 LEU HB2 H 1 1.212 0.020 . 2 . . . . . 159 LEU HB2 . 50623 1 1818 . 1 . 1 159 159 LEU HB3 H 1 2.117 0.020 . 2 . . . . . 159 LEU HB3 . 50623 1 1819 . 1 . 1 159 159 LEU HG H 1 1.282 0.020 . 1 . . . . . 159 LEU HG . 50623 1 1820 . 1 . 1 159 159 LEU HD11 H 1 0.778 0.020 . 2 . . . . . 159 LEU HD11 . 50623 1 1821 . 1 . 1 159 159 LEU HD12 H 1 0.778 0.020 . 2 . . . . . 159 LEU HD12 . 50623 1 1822 . 1 . 1 159 159 LEU HD13 H 1 0.778 0.020 . 2 . . . . . 159 LEU HD13 . 50623 1 1823 . 1 . 1 159 159 LEU HD21 H 1 0.705 0.020 . 2 . . . . . 159 LEU HD21 . 50623 1 1824 . 1 . 1 159 159 LEU HD22 H 1 0.705 0.020 . 2 . . . . . 159 LEU HD22 . 50623 1 1825 . 1 . 1 159 159 LEU HD23 H 1 0.705 0.020 . 2 . . . . . 159 LEU HD23 . 50623 1 1826 . 1 . 1 159 159 LEU C C 13 175.048 0.400 . 1 . . . . . 159 LEU C . 50623 1 1827 . 1 . 1 159 159 LEU CA C 13 58.025 0.400 . 1 . . . . . 159 LEU CA . 50623 1 1828 . 1 . 1 159 159 LEU CB C 13 40.416 0.400 . 1 . . . . . 159 LEU CB . 50623 1 1829 . 1 . 1 159 159 LEU CG C 13 27.534 0.400 . 1 . . . . . 159 LEU CG . 50623 1 1830 . 1 . 1 159 159 LEU CD1 C 13 21.698 0.400 . 2 . . . . . 159 LEU CD1 . 50623 1 1831 . 1 . 1 159 159 LEU CD2 C 13 27.534 0.400 . 2 . . . . . 159 LEU CD2 . 50623 1 1832 . 1 . 1 159 159 LEU N N 15 121.987 0.400 . 1 . . . . . 159 LEU N . 50623 1 1833 . 1 . 1 160 160 VAL H H 1 7.680 0.020 . 1 . . . . . 160 VAL H . 50623 1 1834 . 1 . 1 160 160 VAL HA H 1 3.079 0.020 . 1 . . . . . 160 VAL HA . 50623 1 1835 . 1 . 1 160 160 VAL HB H 1 2.032 0.020 . 1 . . . . . 160 VAL HB . 50623 1 1836 . 1 . 1 160 160 VAL HG11 H 1 0.039 0.020 . 2 . . . . . 160 VAL HG11 . 50623 1 1837 . 1 . 1 160 160 VAL HG12 H 1 0.039 0.020 . 2 . . . . . 160 VAL HG12 . 50623 1 1838 . 1 . 1 160 160 VAL HG13 H 1 0.039 0.020 . 2 . . . . . 160 VAL HG13 . 50623 1 1839 . 1 . 1 160 160 VAL HG21 H 1 0.653 0.020 . 2 . . . . . 160 VAL HG21 . 50623 1 1840 . 1 . 1 160 160 VAL HG22 H 1 0.653 0.020 . 2 . . . . . 160 VAL HG22 . 50623 1 1841 . 1 . 1 160 160 VAL HG23 H 1 0.653 0.020 . 2 . . . . . 160 VAL HG23 . 50623 1 1842 . 1 . 1 160 160 VAL C C 13 174.932 0.400 . 1 . . . . . 160 VAL C . 50623 1 1843 . 1 . 1 160 160 VAL CA C 13 67.656 0.400 . 1 . . . . . 160 VAL CA . 50623 1 1844 . 1 . 1 160 160 VAL CB C 13 30.692 0.400 . 1 . . . . . 160 VAL CB . 50623 1 1845 . 1 . 1 160 160 VAL CG1 C 13 19.597 0.400 . 2 . . . . . 160 VAL CG1 . 50623 1 1846 . 1 . 1 160 160 VAL CG2 C 13 19.597 0.400 . 2 . . . . . 160 VAL CG2 . 50623 1 1847 . 1 . 1 160 160 VAL N N 15 119.778 0.400 . 1 . . . . . 160 VAL N . 50623 1 1848 . 1 . 1 161 161 ARG H H 1 8.191 0.020 . 1 . . . . . 161 ARG H . 50623 1 1849 . 1 . 1 161 161 ARG HA H 1 3.782 0.020 . 1 . . . . . 161 ARG HA . 50623 1 1850 . 1 . 1 161 161 ARG HB2 H 1 2.056 0.020 . 2 . . . . . 161 ARG HB2 . 50623 1 1851 . 1 . 1 161 161 ARG HB3 H 1 1.825 0.020 . 2 . . . . . 161 ARG HB3 . 50623 1 1852 . 1 . 1 161 161 ARG HG2 H 1 1.559 0.020 . 2 . . . . . 161 ARG HG2 . 50623 1 1853 . 1 . 1 161 161 ARG HG3 H 1 1.559 0.020 . 2 . . . . . 161 ARG HG3 . 50623 1 1854 . 1 . 1 161 161 ARG HD2 H 1 3.094 0.020 . 2 . . . . . 161 ARG HD2 . 50623 1 1855 . 1 . 1 161 161 ARG HD3 H 1 3.094 0.020 . 2 . . . . . 161 ARG HD3 . 50623 1 1856 . 1 . 1 161 161 ARG C C 13 177.089 0.400 . 1 . . . . . 161 ARG C . 50623 1 1857 . 1 . 1 161 161 ARG CA C 13 60.949 0.400 . 1 . . . . . 161 ARG CA . 50623 1 1858 . 1 . 1 161 161 ARG CB C 13 29.368 0.400 . 1 . . . . . 161 ARG CB . 50623 1 1859 . 1 . 1 161 161 ARG CG C 13 29.249 0.400 . 1 . . . . . 161 ARG CG . 50623 1 1860 . 1 . 1 161 161 ARG N N 15 119.351 0.400 . 1 . . . . . 161 ARG N . 50623 1 1861 . 1 . 1 162 162 GLU H H 1 8.385 0.020 . 1 . . . . . 162 GLU H . 50623 1 1862 . 1 . 1 162 162 GLU HA H 1 4.083 0.020 . 1 . . . . . 162 GLU HA . 50623 1 1863 . 1 . 1 162 162 GLU HB2 H 1 2.225 0.020 . 2 . . . . . 162 GLU HB2 . 50623 1 1864 . 1 . 1 162 162 GLU HB3 H 1 2.437 0.020 . 2 . . . . . 162 GLU HB3 . 50623 1 1865 . 1 . 1 162 162 GLU HG2 H 1 2.481 0.020 . 2 . . . . . 162 GLU HG2 . 50623 1 1866 . 1 . 1 162 162 GLU HG3 H 1 2.481 0.020 . 2 . . . . . 162 GLU HG3 . 50623 1 1867 . 1 . 1 162 162 GLU C C 13 177.355 0.400 . 1 . . . . . 162 GLU C . 50623 1 1868 . 1 . 1 162 162 GLU CA C 13 59.001 0.400 . 1 . . . . . 162 GLU CA . 50623 1 1869 . 1 . 1 162 162 GLU CB C 13 30.271 0.400 . 1 . . . . . 162 GLU CB . 50623 1 1870 . 1 . 1 162 162 GLU CG C 13 36.910 0.400 . 1 . . . . . 162 GLU CG . 50623 1 1871 . 1 . 1 162 162 GLU N N 15 119.754 0.400 . 1 . . . . . 162 GLU N . 50623 1 1872 . 1 . 1 163 163 ILE H H 1 8.471 0.020 . 1 . . . . . 163 ILE H . 50623 1 1873 . 1 . 1 163 163 ILE HA H 1 3.684 0.020 . 1 . . . . . 163 ILE HA . 50623 1 1874 . 1 . 1 163 163 ILE HB H 1 1.841 0.020 . 1 . . . . . 163 ILE HB . 50623 1 1875 . 1 . 1 163 163 ILE HG12 H 1 0.885 0.020 . 2 . . . . . 163 ILE HG12 . 50623 1 1876 . 1 . 1 163 163 ILE HG13 H 1 1.111 0.020 . 2 . . . . . 163 ILE HG13 . 50623 1 1877 . 1 . 1 163 163 ILE HG21 H 1 0.633 0.020 . 1 . . . . . 163 ILE HG21 . 50623 1 1878 . 1 . 1 163 163 ILE HG22 H 1 0.633 0.020 . 1 . . . . . 163 ILE HG22 . 50623 1 1879 . 1 . 1 163 163 ILE HG23 H 1 0.633 0.020 . 1 . . . . . 163 ILE HG23 . 50623 1 1880 . 1 . 1 163 163 ILE HD11 H 1 0.633 0.020 . 1 . . . . . 163 ILE HD11 . 50623 1 1881 . 1 . 1 163 163 ILE HD12 H 1 0.633 0.020 . 1 . . . . . 163 ILE HD12 . 50623 1 1882 . 1 . 1 163 163 ILE HD13 H 1 0.633 0.020 . 1 . . . . . 163 ILE HD13 . 50623 1 1883 . 1 . 1 163 163 ILE C C 13 174.474 0.400 . 1 . . . . . 163 ILE C . 50623 1 1884 . 1 . 1 163 163 ILE CA C 13 66.443 0.400 . 1 . . . . . 163 ILE CA . 50623 1 1885 . 1 . 1 163 163 ILE CB C 13 37.978 0.400 . 1 . . . . . 163 ILE CB . 50623 1 1886 . 1 . 1 163 163 ILE CG1 C 13 28.235 0.400 . 1 . . . . . 163 ILE CG1 . 50623 1 1887 . 1 . 1 163 163 ILE CG2 C 13 18.117 0.400 . 1 . . . . . 163 ILE CG2 . 50623 1 1888 . 1 . 1 163 163 ILE CD1 C 13 15.933 0.400 . 1 . . . . . 163 ILE CD1 . 50623 1 1889 . 1 . 1 163 163 ILE N N 15 123.990 0.400 . 1 . . . . . 163 ILE N . 50623 1 1890 . 1 . 1 164 164 ARG H H 1 8.707 0.020 . 1 . . . . . 164 ARG H . 50623 1 1891 . 1 . 1 164 164 ARG C C 13 171.132 0.400 . 1 . . . . . 164 ARG C . 50623 1 1892 . 1 . 1 164 164 ARG CA C 13 60.582 0.400 . 1 . . . . . 164 ARG CA . 50623 1 1893 . 1 . 1 164 164 ARG CB C 13 30.393 0.400 . 1 . . . . . 164 ARG CB . 50623 1 1894 . 1 . 1 164 164 ARG CG C 13 27.353 0.400 . 1 . . . . . 164 ARG CG . 50623 1 1895 . 1 . 1 164 164 ARG CD C 13 44.381 0.400 . 1 . . . . . 164 ARG CD . 50623 1 1896 . 1 . 1 164 164 ARG N N 15 120.474 0.400 . 1 . . . . . 164 ARG N . 50623 1 1897 . 1 . 1 165 165 LYS H H 1 8.025 0.020 . 1 . . . . . 165 LYS H . 50623 1 1898 . 1 . 1 165 165 LYS HA H 1 4.090 0.020 . 1 . . . . . 165 LYS HA . 50623 1 1899 . 1 . 1 165 165 LYS HB2 H 1 1.953 0.020 . 2 . . . . . 165 LYS HB2 . 50623 1 1900 . 1 . 1 165 165 LYS HB3 H 1 1.953 0.020 . 2 . . . . . 165 LYS HB3 . 50623 1 1901 . 1 . 1 165 165 LYS HG2 H 1 1.506 0.020 . 2 . . . . . 165 LYS HG2 . 50623 1 1902 . 1 . 1 165 165 LYS HG3 H 1 1.695 0.020 . 2 . . . . . 165 LYS HG3 . 50623 1 1903 . 1 . 1 165 165 LYS HD2 H 1 1.506 0.020 . 2 . . . . . 165 LYS HD2 . 50623 1 1904 . 1 . 1 165 165 LYS HD3 H 1 1.695 0.020 . 2 . . . . . 165 LYS HD3 . 50623 1 1905 . 1 . 1 165 165 LYS HE2 H 1 2.960 0.020 . 2 . . . . . 165 LYS HE2 . 50623 1 1906 . 1 . 1 165 165 LYS HE3 H 1 2.960 0.020 . 2 . . . . . 165 LYS HE3 . 50623 1 1907 . 1 . 1 165 165 LYS C C 13 176.297 0.400 . 1 . . . . . 165 LYS C . 50623 1 1908 . 1 . 1 165 165 LYS CA C 13 59.589 0.400 . 1 . . . . . 165 LYS CA . 50623 1 1909 . 1 . 1 165 165 LYS CB C 13 32.726 0.400 . 1 . . . . . 165 LYS CB . 50623 1 1910 . 1 . 1 165 165 LYS CG C 13 25.390 0.400 . 1 . . . . . 165 LYS CG . 50623 1 1911 . 1 . 1 165 165 LYS CD C 13 29.830 0.400 . 1 . . . . . 165 LYS CD . 50623 1 1912 . 1 . 1 165 165 LYS CE C 13 41.865 0.400 . 1 . . . . . 165 LYS CE . 50623 1 1913 . 1 . 1 165 165 LYS N N 15 118.350 0.400 . 1 . . . . . 165 LYS N . 50623 1 1914 . 1 . 1 166 166 HIS H H 1 7.987 0.020 . 1 . . . . . 166 HIS H . 50623 1 1915 . 1 . 1 166 166 HIS HA H 1 4.383 0.020 . 1 . . . . . 166 HIS HA . 50623 1 1916 . 1 . 1 166 166 HIS HB2 H 1 3.383 0.020 . 2 . . . . . 166 HIS HB2 . 50623 1 1917 . 1 . 1 166 166 HIS HB3 H 1 3.595 0.020 . 2 . . . . . 166 HIS HB3 . 50623 1 1918 . 1 . 1 166 166 HIS HD2 H 1 7.403 0.020 . 1 . . . . . 166 HIS HD2 . 50623 1 1919 . 1 . 1 166 166 HIS C C 13 174.335 0.400 . 1 . . . . . 166 HIS C . 50623 1 1920 . 1 . 1 166 166 HIS CA C 13 59.664 0.400 . 1 . . . . . 166 HIS CA . 50623 1 1921 . 1 . 1 166 166 HIS CB C 13 29.902 0.400 . 1 . . . . . 166 HIS CB . 50623 1 1922 . 1 . 1 166 166 HIS N N 15 119.858 0.400 . 1 . . . . . 166 HIS N . 50623 1 1923 . 1 . 1 167 167 LYS H H 1 8.667 0.020 . 1 . . . . . 167 LYS H . 50623 1 1924 . 1 . 1 167 167 LYS HA H 1 3.983 0.020 . 1 . . . . . 167 LYS HA . 50623 1 1925 . 1 . 1 167 167 LYS HB2 H 1 1.994 0.020 . 2 . . . . . 167 LYS HB2 . 50623 1 1926 . 1 . 1 167 167 LYS HB3 H 1 1.994 0.020 . 2 . . . . . 167 LYS HB3 . 50623 1 1927 . 1 . 1 167 167 LYS HG2 H 1 1.544 0.020 . 2 . . . . . 167 LYS HG2 . 50623 1 1928 . 1 . 1 167 167 LYS HG3 H 1 1.544 0.020 . 2 . . . . . 167 LYS HG3 . 50623 1 1929 . 1 . 1 167 167 LYS HD2 H 1 1.868 0.020 . 2 . . . . . 167 LYS HD2 . 50623 1 1930 . 1 . 1 167 167 LYS HD3 H 1 1.868 0.020 . 2 . . . . . 167 LYS HD3 . 50623 1 1931 . 1 . 1 167 167 LYS HE2 H 1 2.986 0.020 . 2 . . . . . 167 LYS HE2 . 50623 1 1932 . 1 . 1 167 167 LYS HE3 H 1 2.986 0.020 . 2 . . . . . 167 LYS HE3 . 50623 1 1933 . 1 . 1 167 167 LYS C C 13 176.916 0.400 . 1 . . . . . 167 LYS C . 50623 1 1934 . 1 . 1 167 167 LYS CA C 13 59.680 0.400 . 1 . . . . . 167 LYS CA . 50623 1 1935 . 1 . 1 167 167 LYS CB C 13 32.566 0.400 . 1 . . . . . 167 LYS CB . 50623 1 1936 . 1 . 1 167 167 LYS CG C 13 25.786 0.400 . 1 . . . . . 167 LYS CG . 50623 1 1937 . 1 . 1 167 167 LYS CD C 13 29.830 0.400 . 1 . . . . . 167 LYS CD . 50623 1 1938 . 1 . 1 167 167 LYS CE C 13 42.090 0.400 . 1 . . . . . 167 LYS CE . 50623 1 1939 . 1 . 1 167 167 LYS N N 15 119.565 0.400 . 1 . . . . . 167 LYS N . 50623 1 1940 . 1 . 1 168 168 GLU H H 1 8.008 0.020 . 1 . . . . . 168 GLU H . 50623 1 1941 . 1 . 1 168 168 GLU HA H 1 4.103 0.020 . 1 . . . . . 168 GLU HA . 50623 1 1942 . 1 . 1 168 168 GLU HB2 H 1 2.108 0.020 . 2 . . . . . 168 GLU HB2 . 50623 1 1943 . 1 . 1 168 168 GLU HB3 H 1 2.109 0.020 . 2 . . . . . 168 GLU HB3 . 50623 1 1944 . 1 . 1 168 168 GLU HG2 H 1 2.268 0.020 . 2 . . . . . 168 GLU HG2 . 50623 1 1945 . 1 . 1 168 168 GLU HG3 H 1 2.408 0.020 . 2 . . . . . 168 GLU HG3 . 50623 1 1946 . 1 . 1 168 168 GLU C C 13 175.946 0.400 . 1 . . . . . 168 GLU C . 50623 1 1947 . 1 . 1 168 168 GLU CA C 13 58.902 0.400 . 1 . . . . . 168 GLU CA . 50623 1 1948 . 1 . 1 168 168 GLU CB C 13 29.342 0.400 . 1 . . . . . 168 GLU CB . 50623 1 1949 . 1 . 1 168 168 GLU CG C 13 36.234 0.400 . 1 . . . . . 168 GLU CG . 50623 1 1950 . 1 . 1 168 168 GLU N N 15 119.556 0.400 . 1 . . . . . 168 GLU N . 50623 1 1951 . 1 . 1 169 169 LYS H H 1 7.816 0.020 . 1 . . . . . 169 LYS H . 50623 1 1952 . 1 . 1 169 169 LYS HA H 1 4.099 0.020 . 1 . . . . . 169 LYS HA . 50623 1 1953 . 1 . 1 169 169 LYS HB2 H 1 1.781 0.020 . 2 . . . . . 169 LYS HB2 . 50623 1 1954 . 1 . 1 169 169 LYS HB3 H 1 1.781 0.020 . 2 . . . . . 169 LYS HB3 . 50623 1 1955 . 1 . 1 169 169 LYS HG2 H 1 1.486 0.020 . 2 . . . . . 169 LYS HG2 . 50623 1 1956 . 1 . 1 169 169 LYS HG3 H 1 1.486 0.020 . 2 . . . . . 169 LYS HG3 . 50623 1 1957 . 1 . 1 169 169 LYS HE2 H 1 2.968 0.020 . 2 . . . . . 169 LYS HE2 . 50623 1 1958 . 1 . 1 169 169 LYS HE3 H 1 2.968 0.020 . 2 . . . . . 169 LYS HE3 . 50623 1 1959 . 1 . 1 169 169 LYS C C 13 177.348 0.400 . 1 . . . . . 169 LYS C . 50623 1 1960 . 1 . 1 169 169 LYS CA C 13 59.016 0.400 . 1 . . . . . 169 LYS CA . 50623 1 1961 . 1 . 1 169 169 LYS CB C 13 32.377 0.400 . 1 . . . . . 169 LYS CB . 50623 1 1962 . 1 . 1 169 169 LYS CG C 13 24.901 0.400 . 1 . . . . . 169 LYS CG . 50623 1 1963 . 1 . 1 169 169 LYS CD C 13 29.686 0.400 . 1 . . . . . 169 LYS CD . 50623 1 1964 . 1 . 1 169 169 LYS CE C 13 42.125 0.400 . 1 . . . . . 169 LYS CE . 50623 1 1965 . 1 . 1 169 169 LYS N N 15 120.100 0.400 . 1 . . . . . 169 LYS N . 50623 1 1966 . 1 . 1 170 170 MET H H 1 7.931 0.020 . 1 . . . . . 170 MET H . 50623 1 1967 . 1 . 1 170 170 MET HA H 1 4.367 0.020 . 1 . . . . . 170 MET HA . 50623 1 1968 . 1 . 1 170 170 MET HB2 H 1 2.061 0.020 . 2 . . . . . 170 MET HB2 . 50623 1 1969 . 1 . 1 170 170 MET HB3 H 1 2.061 0.020 . 2 . . . . . 170 MET HB3 . 50623 1 1970 . 1 . 1 170 170 MET HG2 H 1 2.403 0.020 . 2 . . . . . 170 MET HG2 . 50623 1 1971 . 1 . 1 170 170 MET HG3 H 1 2.471 0.020 . 2 . . . . . 170 MET HG3 . 50623 1 1972 . 1 . 1 170 170 MET C C 13 175.129 0.400 . 1 . . . . . 170 MET C . 50623 1 1973 . 1 . 1 170 170 MET CA C 13 56.525 0.400 . 1 . . . . . 170 MET CA . 50623 1 1974 . 1 . 1 170 170 MET CB C 13 32.212 0.400 . 1 . . . . . 170 MET CB . 50623 1 1975 . 1 . 1 170 170 MET CG C 13 31.740 0.400 . 1 . . . . . 170 MET CG . 50623 1 1976 . 1 . 1 170 170 MET N N 15 117.372 0.400 . 1 . . . . . 170 MET N . 50623 1 1977 . 1 . 1 171 171 SER H H 1 7.920 0.020 . 1 . . . . . 171 SER H . 50623 1 1978 . 1 . 1 171 171 SER HA H 1 4.369 0.020 . 1 . . . . . 171 SER HA . 50623 1 1979 . 1 . 1 171 171 SER HB2 H 1 3.979 0.020 . 2 . . . . . 171 SER HB2 . 50623 1 1980 . 1 . 1 171 171 SER HB3 H 1 3.979 0.020 . 2 . . . . . 171 SER HB3 . 50623 1 1981 . 1 . 1 171 171 SER C C 13 172.860 0.400 . 1 . . . . . 171 SER C . 50623 1 1982 . 1 . 1 171 171 SER CA C 13 59.654 0.400 . 1 . . . . . 171 SER CA . 50623 1 1983 . 1 . 1 171 171 SER CB C 13 63.599 0.400 . 1 . . . . . 171 SER CB . 50623 1 1984 . 1 . 1 171 171 SER N N 15 115.444 0.400 . 1 . . . . . 171 SER N . 50623 1 1985 . 1 . 1 172 172 LYS H H 1 8.052 0.020 . 1 . . . . . 172 LYS H . 50623 1 1986 . 1 . 1 172 172 LYS HA H 1 4.272 0.020 . 1 . . . . . 172 LYS HA . 50623 1 1987 . 1 . 1 172 172 LYS HB2 H 1 1.873 0.020 . 2 . . . . . 172 LYS HB2 . 50623 1 1988 . 1 . 1 172 172 LYS HB3 H 1 1.873 0.020 . 2 . . . . . 172 LYS HB3 . 50623 1 1989 . 1 . 1 172 172 LYS HG2 H 1 1.470 0.020 . 2 . . . . . 172 LYS HG2 . 50623 1 1990 . 1 . 1 172 172 LYS HG3 H 1 1.684 0.020 . 2 . . . . . 172 LYS HG3 . 50623 1 1991 . 1 . 1 172 172 LYS HD2 H 1 1.487 0.020 . 2 . . . . . 172 LYS HD2 . 50623 1 1992 . 1 . 1 172 172 LYS HD3 H 1 1.487 0.020 . 2 . . . . . 172 LYS HD3 . 50623 1 1993 . 1 . 1 172 172 LYS HE2 H 1 3.001 0.020 . 2 . . . . . 172 LYS HE2 . 50623 1 1994 . 1 . 1 172 172 LYS HE3 H 1 3.001 0.020 . 2 . . . . . 172 LYS HE3 . 50623 1 1995 . 1 . 1 172 172 LYS C C 13 174.506 0.400 . 1 . . . . . 172 LYS C . 50623 1 1996 . 1 . 1 172 172 LYS CA C 13 57.430 0.400 . 1 . . . . . 172 LYS CA . 50623 1 1997 . 1 . 1 172 172 LYS CB C 13 32.767 0.400 . 1 . . . . . 172 LYS CB . 50623 1 1998 . 1 . 1 172 172 LYS CG C 13 24.821 0.400 . 1 . . . . . 172 LYS CG . 50623 1 1999 . 1 . 1 172 172 LYS CD C 13 29.030 0.400 . 1 . . . . . 172 LYS CD . 50623 1 2000 . 1 . 1 172 172 LYS CE C 13 42.174 0.400 . 1 . . . . . 172 LYS CE . 50623 1 2001 . 1 . 1 172 172 LYS N N 15 122.450 0.400 . 1 . . . . . 172 LYS N . 50623 1 2002 . 1 . 1 173 173 ASP H H 1 8.197 0.020 . 1 . . . . . 173 ASP H . 50623 1 2003 . 1 . 1 173 173 ASP HA H 1 4.582 0.020 . 1 . . . . . 173 ASP HA . 50623 1 2004 . 1 . 1 173 173 ASP HB2 H 1 2.707 0.020 . 2 . . . . . 173 ASP HB2 . 50623 1 2005 . 1 . 1 173 173 ASP HB3 H 1 2.707 0.020 . 2 . . . . . 173 ASP HB3 . 50623 1 2006 . 1 . 1 173 173 ASP C C 13 174.613 0.400 . 1 . . . . . 173 ASP C . 50623 1 2007 . 1 . 1 173 173 ASP CA C 13 55.047 0.400 . 1 . . . . . 173 ASP CA . 50623 1 2008 . 1 . 1 173 173 ASP CB C 13 41.237 0.400 . 1 . . . . . 173 ASP CB . 50623 1 2009 . 1 . 1 173 173 ASP N N 15 119.953 0.400 . 1 . . . . . 173 ASP N . 50623 1 2010 . 1 . 1 174 174 GLY H H 1 8.204 0.020 . 1 . . . . . 174 GLY H . 50623 1 2011 . 1 . 1 174 174 GLY HA2 H 1 3.954 0.020 . 2 . . . . . 174 GLY HA2 . 50623 1 2012 . 1 . 1 174 174 GLY HA3 H 1 3.954 0.020 . 2 . . . . . 174 GLY HA3 . 50623 1 2013 . 1 . 1 174 174 GLY C C 13 172.066 0.400 . 1 . . . . . 174 GLY C . 50623 1 2014 . 1 . 1 174 174 GLY CA C 13 45.969 0.400 . 1 . . . . . 174 GLY CA . 50623 1 2015 . 1 . 1 174 174 GLY N N 15 108.945 0.400 . 1 . . . . . 174 GLY N . 50623 1 2016 . 1 . 1 175 175 LYS H H 1 8.074 0.020 . 1 . . . . . 175 LYS H . 50623 1 2017 . 1 . 1 175 175 LYS HA H 1 4.272 0.020 . 1 . . . . . 175 LYS HA . 50623 1 2018 . 1 . 1 175 175 LYS HB2 H 1 1.826 0.020 . 2 . . . . . 175 LYS HB2 . 50623 1 2019 . 1 . 1 175 175 LYS HB3 H 1 1.826 0.020 . 2 . . . . . 175 LYS HB3 . 50623 1 2020 . 1 . 1 175 175 LYS HG2 H 1 1.459 0.020 . 2 . . . . . 175 LYS HG2 . 50623 1 2021 . 1 . 1 175 175 LYS HG3 H 1 1.459 0.020 . 2 . . . . . 175 LYS HG3 . 50623 1 2022 . 1 . 1 175 175 LYS HD2 H 1 1.437 0.020 . 2 . . . . . 175 LYS HD2 . 50623 1 2023 . 1 . 1 175 175 LYS HD3 H 1 1.437 0.020 . 2 . . . . . 175 LYS HD3 . 50623 1 2024 . 1 . 1 175 175 LYS HE2 H 1 3.000 0.020 . 2 . . . . . 175 LYS HE2 . 50623 1 2025 . 1 . 1 175 175 LYS HE3 H 1 3.000 0.020 . 2 . . . . . 175 LYS HE3 . 50623 1 2026 . 1 . 1 175 175 LYS C C 13 174.324 0.400 . 1 . . . . . 175 LYS C . 50623 1 2027 . 1 . 1 175 175 LYS CA C 13 56.619 0.400 . 1 . . . . . 175 LYS CA . 50623 1 2028 . 1 . 1 175 175 LYS CB C 13 32.807 0.400 . 1 . . . . . 175 LYS CB . 50623 1 2029 . 1 . 1 175 175 LYS CG C 13 25.084 0.400 . 1 . . . . . 175 LYS CG . 50623 1 2030 . 1 . 1 175 175 LYS CD C 13 29.161 0.400 . 1 . . . . . 175 LYS CD . 50623 1 2031 . 1 . 1 175 175 LYS CE C 13 42.219 0.400 . 1 . . . . . 175 LYS CE . 50623 1 2032 . 1 . 1 175 175 LYS N N 15 120.375 0.400 . 1 . . . . . 175 LYS N . 50623 1 2033 . 1 . 1 176 176 LYS H H 1 8.101 0.020 . 1 . . . . . 176 LYS H . 50623 1 2034 . 1 . 1 176 176 LYS HA H 1 4.277 0.020 . 1 . . . . . 176 LYS HA . 50623 1 2035 . 1 . 1 176 176 LYS HB2 H 1 1.791 0.020 . 2 . . . . . 176 LYS HB2 . 50623 1 2036 . 1 . 1 176 176 LYS HB3 H 1 1.791 0.020 . 2 . . . . . 176 LYS HB3 . 50623 1 2037 . 1 . 1 176 176 LYS HG2 H 1 1.452 0.020 . 2 . . . . . 176 LYS HG2 . 50623 1 2038 . 1 . 1 176 176 LYS HG3 H 1 1.453 0.020 . 2 . . . . . 176 LYS HG3 . 50623 1 2039 . 1 . 1 176 176 LYS HE2 H 1 2.997 0.020 . 2 . . . . . 176 LYS HE2 . 50623 1 2040 . 1 . 1 176 176 LYS HE3 H 1 2.997 0.020 . 2 . . . . . 176 LYS HE3 . 50623 1 2041 . 1 . 1 176 176 LYS C C 13 173.962 0.400 . 1 . . . . . 176 LYS C . 50623 1 2042 . 1 . 1 176 176 LYS CA C 13 56.439 0.400 . 1 . . . . . 176 LYS CA . 50623 1 2043 . 1 . 1 176 176 LYS CB C 13 33.024 0.400 . 1 . . . . . 176 LYS CB . 50623 1 2044 . 1 . 1 176 176 LYS CG C 13 24.992 0.400 . 1 . . . . . 176 LYS CG . 50623 1 2045 . 1 . 1 176 176 LYS CD C 13 29.227 0.400 . 1 . . . . . 176 LYS CD . 50623 1 2046 . 1 . 1 176 176 LYS CE C 13 42.277 0.400 . 1 . . . . . 176 LYS CE . 50623 1 2047 . 1 . 1 176 176 LYS N N 15 121.314 0.400 . 1 . . . . . 176 LYS N . 50623 1 2048 . 1 . 1 177 177 LYS H H 1 8.189 0.020 . 1 . . . . . 177 LYS H . 50623 1 2049 . 1 . 1 177 177 LYS HA H 1 4.282 0.020 . 1 . . . . . 177 LYS HA . 50623 1 2050 . 1 . 1 177 177 LYS HB2 H 1 1.765 0.020 . 2 . . . . . 177 LYS HB2 . 50623 1 2051 . 1 . 1 177 177 LYS HB3 H 1 1.760 0.020 . 2 . . . . . 177 LYS HB3 . 50623 1 2052 . 1 . 1 177 177 LYS HG2 H 1 1.444 0.020 . 2 . . . . . 177 LYS HG2 . 50623 1 2053 . 1 . 1 177 177 LYS HG3 H 1 1.756 0.020 . 2 . . . . . 177 LYS HG3 . 50623 1 2054 . 1 . 1 177 177 LYS HD2 H 1 1.440 0.020 . 2 . . . . . 177 LYS HD2 . 50623 1 2055 . 1 . 1 177 177 LYS HD3 H 1 1.440 0.020 . 2 . . . . . 177 LYS HD3 . 50623 1 2056 . 1 . 1 177 177 LYS C C 13 173.788 0.400 . 1 . . . . . 177 LYS C . 50623 1 2057 . 1 . 1 177 177 LYS CA C 13 56.351 0.400 . 1 . . . . . 177 LYS CA . 50623 1 2058 . 1 . 1 177 177 LYS CB C 13 33.231 0.400 . 1 . . . . . 177 LYS CB . 50623 1 2059 . 1 . 1 177 177 LYS CG C 13 24.892 0.400 . 1 . . . . . 177 LYS CG . 50623 1 2060 . 1 . 1 177 177 LYS CD C 13 29.211 0.400 . 1 . . . . . 177 LYS CD . 50623 1 2061 . 1 . 1 177 177 LYS CE C 13 42.243 0.400 . 1 . . . . . 177 LYS CE . 50623 1 2062 . 1 . 1 177 177 LYS N N 15 122.467 0.400 . 1 . . . . . 177 LYS N . 50623 1 2063 . 1 . 1 178 178 LYS H H 1 8.333 0.020 . 1 . . . . . 178 LYS H . 50623 1 2064 . 1 . 1 178 178 LYS HA H 1 4.284 0.020 . 1 . . . . . 178 LYS HA . 50623 1 2065 . 1 . 1 178 178 LYS HB2 H 1 1.764 0.020 . 2 . . . . . 178 LYS HB2 . 50623 1 2066 . 1 . 1 178 178 LYS HB3 H 1 1.762 0.020 . 2 . . . . . 178 LYS HB3 . 50623 1 2067 . 1 . 1 178 178 LYS HG2 H 1 1.444 0.020 . 2 . . . . . 178 LYS HG2 . 50623 1 2068 . 1 . 1 178 178 LYS HG3 H 1 1.444 0.020 . 2 . . . . . 178 LYS HG3 . 50623 1 2069 . 1 . 1 178 178 LYS HE2 H 1 2.996 0.020 . 2 . . . . . 178 LYS HE2 . 50623 1 2070 . 1 . 1 178 178 LYS HE3 H 1 2.995 0.020 . 2 . . . . . 178 LYS HE3 . 50623 1 2071 . 1 . 1 178 178 LYS C C 13 173.814 0.400 . 1 . . . . . 178 LYS C . 50623 1 2072 . 1 . 1 178 178 LYS CA C 13 56.379 0.400 . 1 . . . . . 178 LYS CA . 50623 1 2073 . 1 . 1 178 178 LYS CB C 13 33.267 0.400 . 1 . . . . . 178 LYS CB . 50623 1 2074 . 1 . 1 178 178 LYS CG C 13 24.896 0.400 . 1 . . . . . 178 LYS CG . 50623 1 2075 . 1 . 1 178 178 LYS CD C 13 29.197 0.400 . 1 . . . . . 178 LYS CD . 50623 1 2076 . 1 . 1 178 178 LYS CE C 13 42.239 0.400 . 1 . . . . . 178 LYS CE . 50623 1 2077 . 1 . 1 178 178 LYS N N 15 123.603 0.400 . 1 . . . . . 178 LYS N . 50623 1 2078 . 1 . 1 179 179 LYS H H 1 8.396 0.020 . 1 . . . . . 179 LYS H . 50623 1 2079 . 1 . 1 179 179 LYS HA H 1 4.284 0.020 . 1 . . . . . 179 LYS HA . 50623 1 2080 . 1 . 1 179 179 LYS HB2 H 1 1.772 0.020 . 2 . . . . . 179 LYS HB2 . 50623 1 2081 . 1 . 1 179 179 LYS HB3 H 1 1.772 0.020 . 2 . . . . . 179 LYS HB3 . 50623 1 2082 . 1 . 1 179 179 LYS HG2 H 1 1.444 0.020 . 2 . . . . . 179 LYS HG2 . 50623 1 2083 . 1 . 1 179 179 LYS HG3 H 1 1.444 0.020 . 2 . . . . . 179 LYS HG3 . 50623 1 2084 . 1 . 1 179 179 LYS HD2 H 1 1.755 0.020 . 2 . . . . . 179 LYS HD2 . 50623 1 2085 . 1 . 1 179 179 LYS HD3 H 1 1.755 0.020 . 2 . . . . . 179 LYS HD3 . 50623 1 2086 . 1 . 1 179 179 LYS HE2 H 1 2.993 0.020 . 2 . . . . . 179 LYS HE2 . 50623 1 2087 . 1 . 1 179 179 LYS HE3 H 1 2.993 0.020 . 2 . . . . . 179 LYS HE3 . 50623 1 2088 . 1 . 1 179 179 LYS C C 13 173.876 0.400 . 1 . . . . . 179 LYS C . 50623 1 2089 . 1 . 1 179 179 LYS CA C 13 56.353 0.400 . 1 . . . . . 179 LYS CA . 50623 1 2090 . 1 . 1 179 179 LYS CB C 13 33.310 0.400 . 1 . . . . . 179 LYS CB . 50623 1 2091 . 1 . 1 179 179 LYS CG C 13 24.810 0.400 . 1 . . . . . 179 LYS CG . 50623 1 2092 . 1 . 1 179 179 LYS CD C 13 29.278 0.400 . 1 . . . . . 179 LYS CD . 50623 1 2093 . 1 . 1 179 179 LYS CE C 13 42.269 0.400 . 1 . . . . . 179 LYS CE . 50623 1 2094 . 1 . 1 179 179 LYS N N 15 123.651 0.400 . 1 . . . . . 179 LYS N . 50623 1 2095 . 1 . 1 180 180 LYS H H 1 8.272 0.020 . 1 . . . . . 180 LYS H . 50623 1 2096 . 1 . 1 180 180 LYS HA H 1 4.324 0.020 . 1 . . . . . 180 LYS HA . 50623 1 2097 . 1 . 1 180 180 LYS HB2 H 1 1.764 0.020 . 2 . . . . . 180 LYS HB2 . 50623 1 2098 . 1 . 1 180 180 LYS HB3 H 1 1.767 0.020 . 2 . . . . . 180 LYS HB3 . 50623 1 2099 . 1 . 1 180 180 LYS HG2 H 1 1.444 0.020 . 2 . . . . . 180 LYS HG2 . 50623 1 2100 . 1 . 1 180 180 LYS HG3 H 1 2.444 0.020 . 2 . . . . . 180 LYS HG3 . 50623 1 2101 . 1 . 1 180 180 LYS HE2 H 1 3.002 0.020 . 2 . . . . . 180 LYS HE2 . 50623 1 2102 . 1 . 1 180 180 LYS HE3 H 1 3.002 0.020 . 2 . . . . . 180 LYS HE3 . 50623 1 2103 . 1 . 1 180 180 LYS C C 13 173.860 0.400 . 1 . . . . . 180 LYS C . 50623 1 2104 . 1 . 1 180 180 LYS CA C 13 56.339 0.400 . 1 . . . . . 180 LYS CA . 50623 1 2105 . 1 . 1 180 180 LYS CB C 13 33.263 0.400 . 1 . . . . . 180 LYS CB . 50623 1 2106 . 1 . 1 180 180 LYS CG C 13 24.801 0.400 . 1 . . . . . 180 LYS CG . 50623 1 2107 . 1 . 1 180 180 LYS CD C 13 29.225 0.400 . 1 . . . . . 180 LYS CD . 50623 1 2108 . 1 . 1 180 180 LYS CE C 13 42.237 0.400 . 1 . . . . . 180 LYS CE . 50623 1 2109 . 1 . 1 180 180 LYS N N 15 123.311 0.400 . 1 . . . . . 180 LYS N . 50623 1 2110 . 1 . 1 181 181 SER H H 1 8.355 0.020 . 1 . . . . . 181 SER H . 50623 1 2111 . 1 . 1 181 181 SER HA H 1 4.450 0.020 . 1 . . . . . 181 SER HA . 50623 1 2112 . 1 . 1 181 181 SER HB2 H 1 3.849 0.020 . 2 . . . . . 181 SER HB2 . 50623 1 2113 . 1 . 1 181 181 SER HB3 H 1 3.849 0.020 . 2 . . . . . 181 SER HB3 . 50623 1 2114 . 1 . 1 181 181 SER C C 13 171.776 0.400 . 1 . . . . . 181 SER C . 50623 1 2115 . 1 . 1 181 181 SER CA C 13 58.255 0.400 . 1 . . . . . 181 SER CA . 50623 1 2116 . 1 . 1 181 181 SER CB C 13 64.100 0.400 . 1 . . . . . 181 SER CB . 50623 1 2117 . 1 . 1 181 181 SER N N 15 118.099 0.400 . 1 . . . . . 181 SER N . 50623 1 2118 . 1 . 1 182 182 LYS H H 1 8.478 0.020 . 1 . . . . . 182 LYS H . 50623 1 2119 . 1 . 1 182 182 LYS HA H 1 4.373 0.020 . 1 . . . . . 182 LYS HA . 50623 1 2120 . 1 . 1 182 182 LYS HB2 H 1 1.749 0.020 . 2 . . . . . 182 LYS HB2 . 50623 1 2121 . 1 . 1 182 182 LYS HB3 H 1 1.818 0.020 . 2 . . . . . 182 LYS HB3 . 50623 1 2122 . 1 . 1 182 182 LYS HG2 H 1 1.445 0.020 . 2 . . . . . 182 LYS HG2 . 50623 1 2123 . 1 . 1 182 182 LYS HG3 H 1 1.445 0.020 . 2 . . . . . 182 LYS HG3 . 50623 1 2124 . 1 . 1 182 182 LYS HE2 H 1 2.996 0.020 . 2 . . . . . 182 LYS HE2 . 50623 1 2125 . 1 . 1 182 182 LYS HE3 H 1 2.996 0.020 . 2 . . . . . 182 LYS HE3 . 50623 1 2126 . 1 . 1 182 182 LYS C C 13 174.030 0.400 . 1 . . . . . 182 LYS C . 50623 1 2127 . 1 . 1 182 182 LYS CA C 13 56.496 0.400 . 1 . . . . . 182 LYS CA . 50623 1 2128 . 1 . 1 182 182 LYS CB C 13 33.074 0.400 . 1 . . . . . 182 LYS CB . 50623 1 2129 . 1 . 1 182 182 LYS CG C 13 24.880 0.400 . 1 . . . . . 182 LYS CG . 50623 1 2130 . 1 . 1 182 182 LYS CD C 13 29.227 0.400 . 1 . . . . . 182 LYS CD . 50623 1 2131 . 1 . 1 182 182 LYS CE C 13 42.237 0.400 . 1 . . . . . 182 LYS CE . 50623 1 2132 . 1 . 1 182 182 LYS N N 15 123.830 0.400 . 1 . . . . . 182 LYS N . 50623 1 2133 . 1 . 1 183 183 THR H H 1 8.137 0.020 . 1 . . . . . 183 THR H . 50623 1 2134 . 1 . 1 183 183 THR HA H 1 4.289 0.020 . 1 . . . . . 183 THR HA . 50623 1 2135 . 1 . 1 183 183 THR HB H 1 4.164 0.020 . 1 . . . . . 183 THR HB . 50623 1 2136 . 1 . 1 183 183 THR HG21 H 1 1.179 0.020 . 1 . . . . . 183 THR HG21 . 50623 1 2137 . 1 . 1 183 183 THR HG22 H 1 1.179 0.020 . 1 . . . . . 183 THR HG22 . 50623 1 2138 . 1 . 1 183 183 THR HG23 H 1 1.179 0.020 . 1 . . . . . 183 THR HG23 . 50623 1 2139 . 1 . 1 183 183 THR C C 13 171.604 0.400 . 1 . . . . . 183 THR C . 50623 1 2140 . 1 . 1 183 183 THR CA C 13 61.941 0.400 . 1 . . . . . 183 THR CA . 50623 1 2141 . 1 . 1 183 183 THR CB C 13 69.924 0.400 . 1 . . . . . 183 THR CB . 50623 1 2142 . 1 . 1 183 183 THR CG2 C 13 21.658 0.400 . 1 . . . . . 183 THR CG2 . 50623 1 2143 . 1 . 1 183 183 THR N N 15 115.967 0.400 . 1 . . . . . 183 THR N . 50623 1 2144 . 1 . 1 184 184 LYS H H 1 8.370 0.020 . 1 . . . . . 184 LYS H . 50623 1 2145 . 1 . 1 184 184 LYS HA H 1 4.310 0.020 . 1 . . . . . 184 LYS HA . 50623 1 2146 . 1 . 1 184 184 LYS HB2 H 1 1.771 0.020 . 2 . . . . . 184 LYS HB2 . 50623 1 2147 . 1 . 1 184 184 LYS HB3 H 1 1.771 0.020 . 2 . . . . . 184 LYS HB3 . 50623 1 2148 . 1 . 1 184 184 LYS HG2 H 1 1.407 0.020 . 2 . . . . . 184 LYS HG2 . 50623 1 2149 . 1 . 1 184 184 LYS HG3 H 1 1.406 0.020 . 2 . . . . . 184 LYS HG3 . 50623 1 2150 . 1 . 1 184 184 LYS HE2 H 1 2.974 0.020 . 2 . . . . . 184 LYS HE2 . 50623 1 2151 . 1 . 1 184 184 LYS HE3 H 1 2.974 0.020 . 2 . . . . . 184 LYS HE3 . 50623 1 2152 . 1 . 1 184 184 LYS C C 13 173.432 0.400 . 1 . . . . . 184 LYS C . 50623 1 2153 . 1 . 1 184 184 LYS CA C 13 56.406 0.400 . 1 . . . . . 184 LYS CA . 50623 1 2154 . 1 . 1 184 184 LYS CB C 13 33.096 0.400 . 1 . . . . . 184 LYS CB . 50623 1 2155 . 1 . 1 184 184 LYS CG C 13 24.792 0.400 . 1 . . . . . 184 LYS CG . 50623 1 2156 . 1 . 1 184 184 LYS CD C 13 29.215 0.400 . 1 . . . . . 184 LYS CD . 50623 1 2157 . 1 . 1 184 184 LYS CE C 13 42.229 0.400 . 1 . . . . . 184 LYS CE . 50623 1 2158 . 1 . 1 184 184 LYS N N 15 124.191 0.400 . 1 . . . . . 184 LYS N . 50623 1 2159 . 1 . 1 185 185 CYS H H 1 8.366 0.020 . 1 . . . . . 185 CYS H . 50623 1 2160 . 1 . 1 185 185 CYS HA H 1 4.490 0.020 . 1 . . . . . 185 CYS HA . 50623 1 2161 . 1 . 1 185 185 CYS HB2 H 1 2.871 0.020 . 2 . . . . . 185 CYS HB2 . 50623 1 2162 . 1 . 1 185 185 CYS HB3 H 1 2.871 0.020 . 2 . . . . . 185 CYS HB3 . 50623 1 2163 . 1 . 1 185 185 CYS C C 13 173.872 0.400 . 1 . . . . . 185 CYS C . 50623 1 2164 . 1 . 1 185 185 CYS CA C 13 58.481 0.400 . 1 . . . . . 185 CYS CA . 50623 1 2165 . 1 . 1 185 185 CYS CB C 13 28.091 0.400 . 1 . . . . . 185 CYS CB . 50623 1 2166 . 1 . 1 185 185 CYS N N 15 121.584 0.400 . 1 . . . . . 185 CYS N . 50623 1 2167 . 1 . 1 186 186 VAL H H 1 8.264 0.020 . 1 . . . . . 186 VAL H . 50623 1 2168 . 1 . 1 186 186 VAL HA H 1 4.117 0.020 . 1 . . . . . 186 VAL HA . 50623 1 2169 . 1 . 1 186 186 VAL HB H 1 2.034 0.020 . 1 . . . . . 186 VAL HB . 50623 1 2170 . 1 . 1 186 186 VAL HG11 H 1 0.890 0.020 . 2 . . . . . 186 VAL HG11 . 50623 1 2171 . 1 . 1 186 186 VAL HG12 H 1 0.890 0.020 . 2 . . . . . 186 VAL HG12 . 50623 1 2172 . 1 . 1 186 186 VAL HG13 H 1 0.890 0.020 . 2 . . . . . 186 VAL HG13 . 50623 1 2173 . 1 . 1 186 186 VAL HG21 H 1 0.890 0.020 . 2 . . . . . 186 VAL HG21 . 50623 1 2174 . 1 . 1 186 186 VAL HG22 H 1 0.890 0.020 . 2 . . . . . 186 VAL HG22 . 50623 1 2175 . 1 . 1 186 186 VAL HG23 H 1 0.890 0.020 . 2 . . . . . 186 VAL HG23 . 50623 1 2176 . 1 . 1 186 186 VAL C C 13 172.906 0.400 . 1 . . . . . 186 VAL C . 50623 1 2177 . 1 . 1 186 186 VAL CA C 13 62.378 0.400 . 1 . . . . . 186 VAL CA . 50623 1 2178 . 1 . 1 186 186 VAL CB C 13 32.819 0.400 . 1 . . . . . 186 VAL CB . 50623 1 2179 . 1 . 1 186 186 VAL CG1 C 13 21.015 0.400 . 2 . . . . . 186 VAL CG1 . 50623 1 2180 . 1 . 1 186 186 VAL CG2 C 13 21.015 0.400 . 2 . . . . . 186 VAL CG2 . 50623 1 2181 . 1 . 1 186 186 VAL N N 15 123.393 0.400 . 1 . . . . . 186 VAL N . 50623 1 2182 . 1 . 1 187 187 ILE H H 1 8.229 0.020 . 1 . . . . . 187 ILE H . 50623 1 2183 . 1 . 1 187 187 ILE HA H 1 4.151 0.020 . 1 . . . . . 187 ILE HA . 50623 1 2184 . 1 . 1 187 187 ILE HB H 1 1.836 0.020 . 1 . . . . . 187 ILE HB . 50623 1 2185 . 1 . 1 187 187 ILE HG12 H 1 1.152 0.020 . 2 . . . . . 187 ILE HG12 . 50623 1 2186 . 1 . 1 187 187 ILE HG13 H 1 1.458 0.020 . 2 . . . . . 187 ILE HG13 . 50623 1 2187 . 1 . 1 187 187 ILE HG21 H 1 0.882 0.020 . 1 . . . . . 187 ILE HG21 . 50623 1 2188 . 1 . 1 187 187 ILE HG22 H 1 0.882 0.020 . 1 . . . . . 187 ILE HG22 . 50623 1 2189 . 1 . 1 187 187 ILE HG23 H 1 0.882 0.020 . 1 . . . . . 187 ILE HG23 . 50623 1 2190 . 1 . 1 187 187 ILE HD11 H 1 0.882 0.020 . 1 . . . . . 187 ILE HD11 . 50623 1 2191 . 1 . 1 187 187 ILE HD12 H 1 0.882 0.020 . 1 . . . . . 187 ILE HD12 . 50623 1 2192 . 1 . 1 187 187 ILE HD13 H 1 0.882 0.020 . 1 . . . . . 187 ILE HD13 . 50623 1 2193 . 1 . 1 187 187 ILE C C 13 172.513 0.400 . 1 . . . . . 187 ILE C . 50623 1 2194 . 1 . 1 187 187 ILE CA C 13 61.058 0.400 . 1 . . . . . 187 ILE CA . 50623 1 2195 . 1 . 1 187 187 ILE CB C 13 38.507 0.400 . 1 . . . . . 187 ILE CB . 50623 1 2196 . 1 . 1 187 187 ILE CG1 C 13 27.248 0.400 . 1 . . . . . 187 ILE CG1 . 50623 1 2197 . 1 . 1 187 187 ILE CG2 C 13 17.574 0.400 . 1 . . . . . 187 ILE CG2 . 50623 1 2198 . 1 . 1 187 187 ILE CD1 C 13 12.784 0.400 . 1 . . . . . 187 ILE CD1 . 50623 1 2199 . 1 . 1 187 187 ILE N N 15 125.960 0.400 . 1 . . . . . 187 ILE N . 50623 1 2200 . 1 . 1 188 188 MET H H 1 7.976 0.020 . 1 . . . . . 188 MET H . 50623 1 2201 . 1 . 1 188 188 MET HA H 1 4.268 0.020 . 1 . . . . . 188 MET HA . 50623 1 2202 . 1 . 1 188 188 MET HB2 H 1 2.061 0.020 . 2 . . . . . 188 MET HB2 . 50623 1 2203 . 1 . 1 188 188 MET HB3 H 1 1.936 0.020 . 2 . . . . . 188 MET HB3 . 50623 1 2204 . 1 . 1 188 188 MET HG2 H 1 2.475 0.020 . 2 . . . . . 188 MET HG2 . 50623 1 2205 . 1 . 1 188 188 MET HG3 H 1 2.475 0.020 . 2 . . . . . 188 MET HG3 . 50623 1 2206 . 1 . 1 188 188 MET CA C 13 56.965 0.400 . 1 . . . . . 188 MET CA . 50623 1 2207 . 1 . 1 188 188 MET CB C 13 33.910 0.400 . 1 . . . . . 188 MET CB . 50623 1 2208 . 1 . 1 188 188 MET N N 15 130.363 0.400 . 1 . . . . . 188 MET N . 50623 1 stop_ save_