data_27440 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27440 _Entry.Title ; Long-range effects induced by peptide-MHC binding to a human T cell receptor: Implications for the initiation of T cell signaling ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-30 _Entry.Accession_date 2018-03-30 _Entry.Last_release_date 2018-04-02 _Entry.Original_release_date 2018-04-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _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 Yanan He . . . . 27440 2 Sneha Rangarajan . . . . 27440 3 Yihong Chen . . . . 27440 4 Melissa Kerzic . . . . 27440 5 Buyong Ma . . . . 27440 6 Ragul Gowthaman . . . . 27440 7 Brian Pierce . . . . 27440 8 Ruth Nussinov . . . . 27440 9 Roy Mariuzza . . . . 27440 10 John Orban . . . . 27440 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27440 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 27440 '15N chemical shifts' 115 27440 '1H chemical shifts' 117 27440 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 2 . . 2018-11-13 2018-03-30 update BMRB 'update entry citation' 27440 1 . . 2018-08-22 2018-03-30 original author 'original release' 27440 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27441 'a6tcr beta' 27440 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27440 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.RA118.003832 _Citation.PubMed_ID 30135211 _Citation.Full_citation . _Citation.Title ; Peptide-MHC (pMHC) binding to a human antiviral T cell receptor induces long-range allosteric communication between pMHC- and CD3-binding sites ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 293 _Citation.Journal_issue 41 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 15991 _Citation.Page_last 16005 _Citation.Year 2018 _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 Sneha Rangarajan . . . . 27440 1 2 Yanan He . . . . 27440 1 3 Yihong Chen . . . . 27440 1 4 Melissa Kerzic . . . . 27440 1 5 Buyong Ma . . . . 27440 1 6 Ragul Gowthaman . . . . 27440 1 7 Brian Pierce . . . . 27440 1 8 Ruth Nussinov . . . . 27440 1 9 Roy Mariuzza . . . . 27440 1 10 John Orban . . . . 27440 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27440 _Assembly.ID 1 _Assembly.Name A6TCR _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'A6TCR alpha' 1 $A6TCR_alpha A . yes native no no . . . 27440 1 2 'A6TCR beta' 2 $A6TCR_beta B . no native no no . . . 27440 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_A6TCR_alpha _Entity.Sf_category entity _Entity.Sf_framecode A6TCR_alpha _Entity.Entry_ID 27440 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name A6TCR_alpha _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 ; MQKEVEQNSGPLSVPEGAIA SLNCTYSDRGSQSFFWYRQY SGKSPELIMSIYSNGDKEDG RFTAQLNKASQYVSLLIRDS QPSDSATYLCAVTTDSWGKL QFGAGTQVVVTPDIQNPDPA VYQLRDSKSSDKSVCLFTDF DSQTNVSQSKDSDVYITDKC VLDMRSMDFKSNSAVAWSNK SDFACANAFNNSIIPEDTFF PSPESS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 206 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 -1 MET . 27440 1 2 0 GLN . 27440 1 3 1 LYS . 27440 1 4 2 GLU . 27440 1 5 3 VAL . 27440 1 6 4 GLU . 27440 1 7 5 GLN . 27440 1 8 6 ASN . 27440 1 9 7 SER . 27440 1 10 8 GLY . 27440 1 11 9 PRO . 27440 1 12 10 LEU . 27440 1 13 11 SER . 27440 1 14 12 VAL . 27440 1 15 13 PRO . 27440 1 16 14 GLU . 27440 1 17 15 GLY . 27440 1 18 16 ALA . 27440 1 19 17 ILE . 27440 1 20 18 ALA . 27440 1 21 19 SER . 27440 1 22 20 LEU . 27440 1 23 21 ASN . 27440 1 24 22 CYS . 27440 1 25 23 THR . 27440 1 26 24 TYR . 27440 1 27 25 SER . 27440 1 28 26 ASP . 27440 1 29 27 ARG . 27440 1 30 28 GLY . 27440 1 31 29 SER . 27440 1 32 30 GLN . 27440 1 33 31 SER . 27440 1 34 32 PHE . 27440 1 35 33 PHE . 27440 1 36 34 TRP . 27440 1 37 35 TYR . 27440 1 38 36 ARG . 27440 1 39 37 GLN . 27440 1 40 38 TYR . 27440 1 41 39 SER . 27440 1 42 40 GLY . 27440 1 43 41 LYS . 27440 1 44 42 SER . 27440 1 45 43 PRO . 27440 1 46 44 GLU . 27440 1 47 45 LEU . 27440 1 48 46 ILE . 27440 1 49 47 MET . 27440 1 50 48 SER . 27440 1 51 49 ILE . 27440 1 52 50 TYR . 27440 1 53 51 SER . 27440 1 54 52 ASN . 27440 1 55 53 GLY . 27440 1 56 54 ASP . 27440 1 57 55 LYS . 27440 1 58 56 GLU . 27440 1 59 57 ASP . 27440 1 60 58 GLY . 27440 1 61 59 ARG . 27440 1 62 60 PHE . 27440 1 63 61 THR . 27440 1 64 62 ALA . 27440 1 65 63 GLN . 27440 1 66 64 LEU . 27440 1 67 65 ASN . 27440 1 68 66 LYS . 27440 1 69 67 ALA . 27440 1 70 68 SER . 27440 1 71 69 GLN . 27440 1 72 70 TYR . 27440 1 73 71 VAL . 27440 1 74 72 SER . 27440 1 75 73 LEU . 27440 1 76 74 LEU . 27440 1 77 75 ILE . 27440 1 78 76 ARG . 27440 1 79 77 ASP . 27440 1 80 78 SER . 27440 1 81 79 GLN . 27440 1 82 80 PRO . 27440 1 83 81 SER . 27440 1 84 82 ASP . 27440 1 85 83 SER . 27440 1 86 84 ALA . 27440 1 87 85 THR . 27440 1 88 86 TYR . 27440 1 89 87 LEU . 27440 1 90 88 CYS . 27440 1 91 89 ALA . 27440 1 92 90 VAL . 27440 1 93 91 THR . 27440 1 94 92 THR . 27440 1 95 93 ASP . 27440 1 96 94 SER . 27440 1 97 95 TRP . 27440 1 98 96 GLY . 27440 1 99 97 LYS . 27440 1 100 98 LEU . 27440 1 101 99 GLN . 27440 1 102 100 PHE . 27440 1 103 101 GLY . 27440 1 104 102 ALA . 27440 1 105 103 GLY . 27440 1 106 104 THR . 27440 1 107 105 GLN . 27440 1 108 106 VAL . 27440 1 109 107 VAL . 27440 1 110 108 VAL . 27440 1 111 109 THR . 27440 1 112 110 PRO . 27440 1 113 111 ASP . 27440 1 114 112 ILE . 27440 1 115 113 GLN . 27440 1 116 114 ASN . 27440 1 117 115 PRO . 27440 1 118 116 ASP . 27440 1 119 117 PRO . 27440 1 120 118 ALA . 27440 1 121 119 VAL . 27440 1 122 120 TYR . 27440 1 123 121 GLN . 27440 1 124 122 LEU . 27440 1 125 123 ARG . 27440 1 126 124 ASP . 27440 1 127 125 SER . 27440 1 128 126 LYS . 27440 1 129 127 SER . 27440 1 130 128 SER . 27440 1 131 129 ASP . 27440 1 132 130 LYS . 27440 1 133 131 SER . 27440 1 134 132 VAL . 27440 1 135 133 CYS . 27440 1 136 134 LEU . 27440 1 137 135 PHE . 27440 1 138 136 THR . 27440 1 139 137 ASP . 27440 1 140 138 PHE . 27440 1 141 139 ASP . 27440 1 142 140 SER . 27440 1 143 141 GLN . 27440 1 144 142 THR . 27440 1 145 143 ASN . 27440 1 146 144 VAL . 27440 1 147 145 SER . 27440 1 148 146 GLN . 27440 1 149 147 SER . 27440 1 150 148 LYS . 27440 1 151 149 ASP . 27440 1 152 150 SER . 27440 1 153 151 ASP . 27440 1 154 152 VAL . 27440 1 155 153 TYR . 27440 1 156 154 ILE . 27440 1 157 155 THR . 27440 1 158 156 ASP . 27440 1 159 157 LYS . 27440 1 160 158 CYS . 27440 1 161 159 VAL . 27440 1 162 160 LEU . 27440 1 163 161 ASP . 27440 1 164 162 MET . 27440 1 165 163 ARG . 27440 1 166 164 SER . 27440 1 167 165 MET . 27440 1 168 166 ASP . 27440 1 169 167 PHE . 27440 1 170 168 LYS . 27440 1 171 169 SER . 27440 1 172 170 ASN . 27440 1 173 171 SER . 27440 1 174 172 ALA . 27440 1 175 173 VAL . 27440 1 176 174 ALA . 27440 1 177 175 TRP . 27440 1 178 176 SER . 27440 1 179 177 ASN . 27440 1 180 178 LYS . 27440 1 181 179 SER . 27440 1 182 180 ASP . 27440 1 183 181 PHE . 27440 1 184 182 ALA . 27440 1 185 183 CYS . 27440 1 186 184 ALA . 27440 1 187 185 ASN . 27440 1 188 186 ALA . 27440 1 189 187 PHE . 27440 1 190 188 ASN . 27440 1 191 189 ASN . 27440 1 192 190 SER . 27440 1 193 191 ILE . 27440 1 194 192 ILE . 27440 1 195 193 PRO . 27440 1 196 194 GLU . 27440 1 197 195 ASP . 27440 1 198 196 THR . 27440 1 199 197 PHE . 27440 1 200 198 PHE . 27440 1 201 199 PRO . 27440 1 202 200 SER . 27440 1 203 201 PRO . 27440 1 204 202 GLU . 27440 1 205 203 SER . 27440 1 206 204 SER . 27440 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 27440 1 . GLN 2 2 27440 1 . LYS 3 3 27440 1 . GLU 4 4 27440 1 . VAL 5 5 27440 1 . GLU 6 6 27440 1 . GLN 7 7 27440 1 . ASN 8 8 27440 1 . SER 9 9 27440 1 . GLY 10 10 27440 1 . PRO 11 11 27440 1 . LEU 12 12 27440 1 . SER 13 13 27440 1 . VAL 14 14 27440 1 . PRO 15 15 27440 1 . GLU 16 16 27440 1 . GLY 17 17 27440 1 . ALA 18 18 27440 1 . ILE 19 19 27440 1 . ALA 20 20 27440 1 . SER 21 21 27440 1 . LEU 22 22 27440 1 . ASN 23 23 27440 1 . CYS 24 24 27440 1 . THR 25 25 27440 1 . TYR 26 26 27440 1 . SER 27 27 27440 1 . ASP 28 28 27440 1 . ARG 29 29 27440 1 . GLY 30 30 27440 1 . SER 31 31 27440 1 . GLN 32 32 27440 1 . SER 33 33 27440 1 . PHE 34 34 27440 1 . PHE 35 35 27440 1 . TRP 36 36 27440 1 . TYR 37 37 27440 1 . ARG 38 38 27440 1 . GLN 39 39 27440 1 . TYR 40 40 27440 1 . SER 41 41 27440 1 . GLY 42 42 27440 1 . LYS 43 43 27440 1 . SER 44 44 27440 1 . PRO 45 45 27440 1 . GLU 46 46 27440 1 . LEU 47 47 27440 1 . ILE 48 48 27440 1 . MET 49 49 27440 1 . SER 50 50 27440 1 . ILE 51 51 27440 1 . TYR 52 52 27440 1 . SER 53 53 27440 1 . ASN 54 54 27440 1 . GLY 55 55 27440 1 . ASP 56 56 27440 1 . LYS 57 57 27440 1 . GLU 58 58 27440 1 . ASP 59 59 27440 1 . GLY 60 60 27440 1 . ARG 61 61 27440 1 . PHE 62 62 27440 1 . THR 63 63 27440 1 . ALA 64 64 27440 1 . GLN 65 65 27440 1 . LEU 66 66 27440 1 . ASN 67 67 27440 1 . LYS 68 68 27440 1 . ALA 69 69 27440 1 . SER 70 70 27440 1 . GLN 71 71 27440 1 . TYR 72 72 27440 1 . VAL 73 73 27440 1 . SER 74 74 27440 1 . LEU 75 75 27440 1 . LEU 76 76 27440 1 . ILE 77 77 27440 1 . ARG 78 78 27440 1 . ASP 79 79 27440 1 . SER 80 80 27440 1 . GLN 81 81 27440 1 . PRO 82 82 27440 1 . SER 83 83 27440 1 . ASP 84 84 27440 1 . SER 85 85 27440 1 . ALA 86 86 27440 1 . THR 87 87 27440 1 . TYR 88 88 27440 1 . LEU 89 89 27440 1 . CYS 90 90 27440 1 . ALA 91 91 27440 1 . VAL 92 92 27440 1 . THR 93 93 27440 1 . THR 94 94 27440 1 . ASP 95 95 27440 1 . SER 96 96 27440 1 . TRP 97 97 27440 1 . GLY 98 98 27440 1 . LYS 99 99 27440 1 . LEU 100 100 27440 1 . GLN 101 101 27440 1 . PHE 102 102 27440 1 . GLY 103 103 27440 1 . ALA 104 104 27440 1 . GLY 105 105 27440 1 . THR 106 106 27440 1 . GLN 107 107 27440 1 . VAL 108 108 27440 1 . VAL 109 109 27440 1 . VAL 110 110 27440 1 . THR 111 111 27440 1 . PRO 112 112 27440 1 . ASP 113 113 27440 1 . ILE 114 114 27440 1 . GLN 115 115 27440 1 . ASN 116 116 27440 1 . PRO 117 117 27440 1 . ASP 118 118 27440 1 . PRO 119 119 27440 1 . ALA 120 120 27440 1 . VAL 121 121 27440 1 . TYR 122 122 27440 1 . GLN 123 123 27440 1 . LEU 124 124 27440 1 . ARG 125 125 27440 1 . ASP 126 126 27440 1 . SER 127 127 27440 1 . LYS 128 128 27440 1 . SER 129 129 27440 1 . SER 130 130 27440 1 . ASP 131 131 27440 1 . LYS 132 132 27440 1 . SER 133 133 27440 1 . VAL 134 134 27440 1 . CYS 135 135 27440 1 . LEU 136 136 27440 1 . PHE 137 137 27440 1 . THR 138 138 27440 1 . ASP 139 139 27440 1 . PHE 140 140 27440 1 . ASP 141 141 27440 1 . SER 142 142 27440 1 . GLN 143 143 27440 1 . THR 144 144 27440 1 . ASN 145 145 27440 1 . VAL 146 146 27440 1 . SER 147 147 27440 1 . GLN 148 148 27440 1 . SER 149 149 27440 1 . LYS 150 150 27440 1 . ASP 151 151 27440 1 . SER 152 152 27440 1 . ASP 153 153 27440 1 . VAL 154 154 27440 1 . TYR 155 155 27440 1 . ILE 156 156 27440 1 . THR 157 157 27440 1 . ASP 158 158 27440 1 . LYS 159 159 27440 1 . CYS 160 160 27440 1 . VAL 161 161 27440 1 . LEU 162 162 27440 1 . ASP 163 163 27440 1 . MET 164 164 27440 1 . ARG 165 165 27440 1 . SER 166 166 27440 1 . MET 167 167 27440 1 . ASP 168 168 27440 1 . PHE 169 169 27440 1 . LYS 170 170 27440 1 . SER 171 171 27440 1 . ASN 172 172 27440 1 . SER 173 173 27440 1 . ALA 174 174 27440 1 . VAL 175 175 27440 1 . ALA 176 176 27440 1 . TRP 177 177 27440 1 . SER 178 178 27440 1 . ASN 179 179 27440 1 . LYS 180 180 27440 1 . SER 181 181 27440 1 . ASP 182 182 27440 1 . PHE 183 183 27440 1 . ALA 184 184 27440 1 . CYS 185 185 27440 1 . ALA 186 186 27440 1 . ASN 187 187 27440 1 . ALA 188 188 27440 1 . PHE 189 189 27440 1 . ASN 190 190 27440 1 . ASN 191 191 27440 1 . SER 192 192 27440 1 . ILE 193 193 27440 1 . ILE 194 194 27440 1 . PRO 195 195 27440 1 . GLU 196 196 27440 1 . ASP 197 197 27440 1 . THR 198 198 27440 1 . PHE 199 199 27440 1 . PHE 200 200 27440 1 . PRO 201 201 27440 1 . SER 202 202 27440 1 . PRO 203 203 27440 1 . GLU 204 204 27440 1 . SER 205 205 27440 1 . SER 206 206 27440 1 stop_ save_ save_A6TCR_beta _Entity.Sf_category entity _Entity.Sf_framecode A6TCR_beta _Entity.Entry_ID 27440 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name A6TCR_beta _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 ; NAGVTQTPKFQVLKTGQSMT LQCAQDMNHEYMSWYRQDPG MGLRLIHYSVGAGITDQGEV PNGYNVSRSTTEDFPLRLLS AAPSQTSVYFCASRPGLAGG RPEQYFGPGTRLTVTEDLKN VFPPEVAVFEPSEAEISHTQ KATLVCLATGFYPDHVELSW WVNGKEVHSGVCTDPQPLKE QPALNDSRYALSSRLRVSAT FWQDPRNHFRCQVQFYGLSE NDEWTQDRAKPVTQIVSAEA WGRAD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 245 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . ASN . 27440 2 2 . ALA . 27440 2 3 . GLY . 27440 2 4 . VAL . 27440 2 5 . THR . 27440 2 6 . GLN . 27440 2 7 . THR . 27440 2 8 . PRO . 27440 2 9 . LYS . 27440 2 10 . PHE . 27440 2 11 . GLN . 27440 2 12 . VAL . 27440 2 13 . LEU . 27440 2 14 . LYS . 27440 2 15 . THR . 27440 2 16 . GLY . 27440 2 17 . GLN . 27440 2 18 . SER . 27440 2 19 . MET . 27440 2 20 . THR . 27440 2 21 . LEU . 27440 2 22 . GLN . 27440 2 23 . CYS . 27440 2 24 . ALA . 27440 2 25 . GLN . 27440 2 26 . ASP . 27440 2 27 . MET . 27440 2 28 . ASN . 27440 2 29 . HIS . 27440 2 30 . GLU . 27440 2 31 . TYR . 27440 2 32 . MET . 27440 2 33 . SER . 27440 2 34 . TRP . 27440 2 35 . TYR . 27440 2 36 . ARG . 27440 2 37 . GLN . 27440 2 38 . ASP . 27440 2 39 . PRO . 27440 2 40 . GLY . 27440 2 41 . MET . 27440 2 42 . GLY . 27440 2 43 . LEU . 27440 2 44 . ARG . 27440 2 45 . LEU . 27440 2 46 . ILE . 27440 2 47 . HIS . 27440 2 48 . TYR . 27440 2 49 . SER . 27440 2 50 . VAL . 27440 2 51 . GLY . 27440 2 52 . ALA . 27440 2 53 . GLY . 27440 2 54 . ILE . 27440 2 55 . THR . 27440 2 56 . ASP . 27440 2 57 . GLN . 27440 2 58 . GLY . 27440 2 59 . GLU . 27440 2 60 . VAL . 27440 2 61 . PRO . 27440 2 62 . ASN . 27440 2 63 . GLY . 27440 2 64 . TYR . 27440 2 65 . ASN . 27440 2 66 . VAL . 27440 2 67 . SER . 27440 2 68 . ARG . 27440 2 69 . SER . 27440 2 70 . THR . 27440 2 71 . THR . 27440 2 72 . GLU . 27440 2 73 . ASP . 27440 2 74 . PHE . 27440 2 75 . PRO . 27440 2 76 . LEU . 27440 2 77 . ARG . 27440 2 78 . LEU . 27440 2 79 . LEU . 27440 2 80 . SER . 27440 2 81 . ALA . 27440 2 82 . ALA . 27440 2 83 . PRO . 27440 2 84 . SER . 27440 2 85 . GLN . 27440 2 86 . THR . 27440 2 87 . SER . 27440 2 88 . VAL . 27440 2 89 . TYR . 27440 2 90 . PHE . 27440 2 91 . CYS . 27440 2 92 . ALA . 27440 2 93 . SER . 27440 2 94 . ARG . 27440 2 95 . PRO . 27440 2 96 . GLY . 27440 2 97 . LEU . 27440 2 98 . ALA . 27440 2 99 . GLY . 27440 2 100 . GLY . 27440 2 101 . ARG . 27440 2 102 . PRO . 27440 2 103 . GLU . 27440 2 104 . GLN . 27440 2 105 . TYR . 27440 2 106 . PHE . 27440 2 107 . GLY . 27440 2 108 . PRO . 27440 2 109 . GLY . 27440 2 110 . THR . 27440 2 111 . ARG . 27440 2 112 . LEU . 27440 2 113 . THR . 27440 2 114 . VAL . 27440 2 115 . THR . 27440 2 116 . GLU . 27440 2 117 . ASP . 27440 2 118 . LEU . 27440 2 119 . LYS . 27440 2 120 . ASN . 27440 2 121 . VAL . 27440 2 122 . PHE . 27440 2 123 . PRO . 27440 2 124 . PRO . 27440 2 125 . GLU . 27440 2 126 . VAL . 27440 2 127 . ALA . 27440 2 128 . VAL . 27440 2 129 . PHE . 27440 2 130 . GLU . 27440 2 131 . PRO . 27440 2 132 . SER . 27440 2 133 . GLU . 27440 2 134 . ALA . 27440 2 135 . GLU . 27440 2 136 . ILE . 27440 2 137 . SER . 27440 2 138 . HIS . 27440 2 139 . THR . 27440 2 140 . GLN . 27440 2 141 . LYS . 27440 2 142 . ALA . 27440 2 143 . THR . 27440 2 144 . LEU . 27440 2 145 . VAL . 27440 2 146 . CYS . 27440 2 147 . LEU . 27440 2 148 . ALA . 27440 2 149 . THR . 27440 2 150 . GLY . 27440 2 151 . PHE . 27440 2 152 . TYR . 27440 2 153 . PRO . 27440 2 154 . ASP . 27440 2 155 . HIS . 27440 2 156 . VAL . 27440 2 157 . GLU . 27440 2 158 . LEU . 27440 2 159 . SER . 27440 2 160 . TRP . 27440 2 161 . TRP . 27440 2 162 . VAL . 27440 2 163 . ASN . 27440 2 164 . GLY . 27440 2 165 . LYS . 27440 2 166 . GLU . 27440 2 167 . VAL . 27440 2 168 . HIS . 27440 2 169 . SER . 27440 2 170 . GLY . 27440 2 171 . VAL . 27440 2 172 . CYS . 27440 2 173 . THR . 27440 2 174 . ASP . 27440 2 175 . PRO . 27440 2 176 . GLN . 27440 2 177 . PRO . 27440 2 178 . LEU . 27440 2 179 . LYS . 27440 2 180 . GLU . 27440 2 181 . GLN . 27440 2 182 . PRO . 27440 2 183 . ALA . 27440 2 184 . LEU . 27440 2 185 . ASN . 27440 2 186 . ASP . 27440 2 187 . SER . 27440 2 188 . ARG . 27440 2 189 . TYR . 27440 2 190 . ALA . 27440 2 191 . LEU . 27440 2 192 . SER . 27440 2 193 . SER . 27440 2 194 . ARG . 27440 2 195 . LEU . 27440 2 196 . ARG . 27440 2 197 . VAL . 27440 2 198 . SER . 27440 2 199 . ALA . 27440 2 200 . THR . 27440 2 201 . PHE . 27440 2 202 . TRP . 27440 2 203 . GLN . 27440 2 204 . ASP . 27440 2 205 . PRO . 27440 2 206 . ARG . 27440 2 207 . ASN . 27440 2 208 . HIS . 27440 2 209 . PHE . 27440 2 210 . ARG . 27440 2 211 . CYS . 27440 2 212 . GLN . 27440 2 213 . VAL . 27440 2 214 . GLN . 27440 2 215 . PHE . 27440 2 216 . TYR . 27440 2 217 . GLY . 27440 2 218 . LEU . 27440 2 219 . SER . 27440 2 220 . GLU . 27440 2 221 . ASN . 27440 2 222 . ASP . 27440 2 223 . GLU . 27440 2 224 . TRP . 27440 2 225 . THR . 27440 2 226 . GLN . 27440 2 227 . ASP . 27440 2 228 . ARG . 27440 2 229 . ALA . 27440 2 230 . LYS . 27440 2 231 . PRO . 27440 2 232 . VAL . 27440 2 233 . THR . 27440 2 234 . GLN . 27440 2 235 . ILE . 27440 2 236 . VAL . 27440 2 237 . SER . 27440 2 238 . ALA . 27440 2 239 . GLU . 27440 2 240 . ALA . 27440 2 241 . TRP . 27440 2 242 . GLY . 27440 2 243 . ARG . 27440 2 244 . ALA . 27440 2 245 . ASP . 27440 2 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 . ASN 1 1 27440 2 . ALA 2 2 27440 2 . GLY 3 3 27440 2 . VAL 4 4 27440 2 . THR 5 5 27440 2 . GLN 6 6 27440 2 . THR 7 7 27440 2 . PRO 8 8 27440 2 . LYS 9 9 27440 2 . PHE 10 10 27440 2 . GLN 11 11 27440 2 . VAL 12 12 27440 2 . LEU 13 13 27440 2 . LYS 14 14 27440 2 . THR 15 15 27440 2 . GLY 16 16 27440 2 . GLN 17 17 27440 2 . SER 18 18 27440 2 . MET 19 19 27440 2 . THR 20 20 27440 2 . LEU 21 21 27440 2 . GLN 22 22 27440 2 . CYS 23 23 27440 2 . ALA 24 24 27440 2 . GLN 25 25 27440 2 . ASP 26 26 27440 2 . MET 27 27 27440 2 . ASN 28 28 27440 2 . HIS 29 29 27440 2 . GLU 30 30 27440 2 . TYR 31 31 27440 2 . MET 32 32 27440 2 . SER 33 33 27440 2 . TRP 34 34 27440 2 . TYR 35 35 27440 2 . ARG 36 36 27440 2 . GLN 37 37 27440 2 . ASP 38 38 27440 2 . PRO 39 39 27440 2 . GLY 40 40 27440 2 . MET 41 41 27440 2 . GLY 42 42 27440 2 . LEU 43 43 27440 2 . ARG 44 44 27440 2 . LEU 45 45 27440 2 . ILE 46 46 27440 2 . HIS 47 47 27440 2 . TYR 48 48 27440 2 . SER 49 49 27440 2 . VAL 50 50 27440 2 . GLY 51 51 27440 2 . ALA 52 52 27440 2 . GLY 53 53 27440 2 . ILE 54 54 27440 2 . THR 55 55 27440 2 . ASP 56 56 27440 2 . GLN 57 57 27440 2 . GLY 58 58 27440 2 . GLU 59 59 27440 2 . VAL 60 60 27440 2 . PRO 61 61 27440 2 . ASN 62 62 27440 2 . GLY 63 63 27440 2 . TYR 64 64 27440 2 . ASN 65 65 27440 2 . VAL 66 66 27440 2 . SER 67 67 27440 2 . ARG 68 68 27440 2 . SER 69 69 27440 2 . THR 70 70 27440 2 . THR 71 71 27440 2 . GLU 72 72 27440 2 . ASP 73 73 27440 2 . PHE 74 74 27440 2 . PRO 75 75 27440 2 . LEU 76 76 27440 2 . ARG 77 77 27440 2 . LEU 78 78 27440 2 . LEU 79 79 27440 2 . SER 80 80 27440 2 . ALA 81 81 27440 2 . ALA 82 82 27440 2 . PRO 83 83 27440 2 . SER 84 84 27440 2 . GLN 85 85 27440 2 . THR 86 86 27440 2 . SER 87 87 27440 2 . VAL 88 88 27440 2 . TYR 89 89 27440 2 . PHE 90 90 27440 2 . CYS 91 91 27440 2 . ALA 92 92 27440 2 . SER 93 93 27440 2 . ARG 94 94 27440 2 . PRO 95 95 27440 2 . GLY 96 96 27440 2 . LEU 97 97 27440 2 . ALA 98 98 27440 2 . GLY 99 99 27440 2 . GLY 100 100 27440 2 . ARG 101 101 27440 2 . PRO 102 102 27440 2 . GLU 103 103 27440 2 . GLN 104 104 27440 2 . TYR 105 105 27440 2 . PHE 106 106 27440 2 . GLY 107 107 27440 2 . PRO 108 108 27440 2 . GLY 109 109 27440 2 . THR 110 110 27440 2 . ARG 111 111 27440 2 . LEU 112 112 27440 2 . THR 113 113 27440 2 . VAL 114 114 27440 2 . THR 115 115 27440 2 . GLU 116 116 27440 2 . ASP 117 117 27440 2 . LEU 118 118 27440 2 . LYS 119 119 27440 2 . ASN 120 120 27440 2 . VAL 121 121 27440 2 . PHE 122 122 27440 2 . PRO 123 123 27440 2 . PRO 124 124 27440 2 . GLU 125 125 27440 2 . VAL 126 126 27440 2 . ALA 127 127 27440 2 . VAL 128 128 27440 2 . PHE 129 129 27440 2 . GLU 130 130 27440 2 . PRO 131 131 27440 2 . SER 132 132 27440 2 . GLU 133 133 27440 2 . ALA 134 134 27440 2 . GLU 135 135 27440 2 . ILE 136 136 27440 2 . SER 137 137 27440 2 . HIS 138 138 27440 2 . THR 139 139 27440 2 . GLN 140 140 27440 2 . LYS 141 141 27440 2 . ALA 142 142 27440 2 . THR 143 143 27440 2 . LEU 144 144 27440 2 . VAL 145 145 27440 2 . CYS 146 146 27440 2 . LEU 147 147 27440 2 . ALA 148 148 27440 2 . THR 149 149 27440 2 . GLY 150 150 27440 2 . PHE 151 151 27440 2 . TYR 152 152 27440 2 . PRO 153 153 27440 2 . ASP 154 154 27440 2 . HIS 155 155 27440 2 . VAL 156 156 27440 2 . GLU 157 157 27440 2 . LEU 158 158 27440 2 . SER 159 159 27440 2 . TRP 160 160 27440 2 . TRP 161 161 27440 2 . VAL 162 162 27440 2 . ASN 163 163 27440 2 . GLY 164 164 27440 2 . LYS 165 165 27440 2 . GLU 166 166 27440 2 . VAL 167 167 27440 2 . HIS 168 168 27440 2 . SER 169 169 27440 2 . GLY 170 170 27440 2 . VAL 171 171 27440 2 . CYS 172 172 27440 2 . THR 173 173 27440 2 . ASP 174 174 27440 2 . PRO 175 175 27440 2 . GLN 176 176 27440 2 . PRO 177 177 27440 2 . LEU 178 178 27440 2 . LYS 179 179 27440 2 . GLU 180 180 27440 2 . GLN 181 181 27440 2 . PRO 182 182 27440 2 . ALA 183 183 27440 2 . LEU 184 184 27440 2 . ASN 185 185 27440 2 . ASP 186 186 27440 2 . SER 187 187 27440 2 . ARG 188 188 27440 2 . TYR 189 189 27440 2 . ALA 190 190 27440 2 . LEU 191 191 27440 2 . SER 192 192 27440 2 . SER 193 193 27440 2 . ARG 194 194 27440 2 . LEU 195 195 27440 2 . ARG 196 196 27440 2 . VAL 197 197 27440 2 . SER 198 198 27440 2 . ALA 199 199 27440 2 . THR 200 200 27440 2 . PHE 201 201 27440 2 . TRP 202 202 27440 2 . GLN 203 203 27440 2 . ASP 204 204 27440 2 . PRO 205 205 27440 2 . ARG 206 206 27440 2 . ASN 207 207 27440 2 . HIS 208 208 27440 2 . PHE 209 209 27440 2 . ARG 210 210 27440 2 . CYS 211 211 27440 2 . GLN 212 212 27440 2 . VAL 213 213 27440 2 . GLN 214 214 27440 2 . PHE 215 215 27440 2 . TYR 216 216 27440 2 . GLY 217 217 27440 2 . LEU 218 218 27440 2 . SER 219 219 27440 2 . GLU 220 220 27440 2 . ASN 221 221 27440 2 . ASP 222 222 27440 2 . GLU 223 223 27440 2 . TRP 224 224 27440 2 . THR 225 225 27440 2 . GLN 226 226 27440 2 . ASP 227 227 27440 2 . ARG 228 228 27440 2 . ALA 229 229 27440 2 . LYS 230 230 27440 2 . PRO 231 231 27440 2 . VAL 232 232 27440 2 . THR 233 233 27440 2 . GLN 234 234 27440 2 . ILE 235 235 27440 2 . VAL 236 236 27440 2 . SER 237 237 27440 2 . ALA 238 238 27440 2 . GLU 239 239 27440 2 . ALA 240 240 27440 2 . TRP 241 241 27440 2 . GLY 242 242 27440 2 . ARG 243 243 27440 2 . ALA 244 244 27440 2 . ASP 245 245 27440 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27440 _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 $A6TCR_alpha . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . 'Homo sapiens' 27440 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27440 _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 $A6TCR_alpha . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-26b . . . 27440 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27440 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 A6TCR_alpha '[U-13C; U-15N; U-2H]' . . 1 $A6TCR_alpha . . 250 . . mM . . . . 27440 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27440 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27440 1 4 Pefabloc 'natural abundance' . . . . . . 0.1 . . mg/mL . . . . 27440 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 27440 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 27440 1 pH 7.0 . pH 27440 1 pressure 1 . atm 27440 1 temperature 298 . K 27440 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27440 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27440 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27440 1 collection 27440 1 'data analysis' 27440 1 processing 27440 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27440 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27440 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27440 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 'with cryo probe' . . 27440 1 2 spectrometer_2 Bruker Avance . 600 'with cryo probe' . . 27440 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27440 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27440 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27440 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27440 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27440 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27440 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27440 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27440 1 8 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27440 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27440 _Chem_shift_reference.ID 1 _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 . . . . . 27440 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27440 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27440 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27440 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27440 1 2 '3D HNCACB' . . . 27440 1 3 '3D CBCA(CO)NH' . . . 27440 1 5 '3D HNCO' . . . 27440 1 6 '3D HNCA' . . . 27440 1 7 '3D HN(CO)CA' . . . 27440 1 8 '3D HNCACO' . . . 27440 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 3 3 LYS H H 1 8.591 0.012 . 1 . . . . . 1 LYS HN . 27440 1 2 . 1 1 3 3 LYS CA C 13 55.424 0.028 . 1 . . . . . 1 LYS CA . 27440 1 3 . 1 1 3 3 LYS CB C 13 32.413 0.026 . 1 . . . . . 1 LYS CB . 27440 1 4 . 1 1 3 3 LYS N N 15 124.211 0.196 . 1 . . . . . 1 LYS N . 27440 1 5 . 1 1 4 4 GLU H H 1 8.634 0.011 . 1 . . . . . 2 GLU HN . 27440 1 6 . 1 1 4 4 GLU C C 13 176.747 0 . 1 . . . . . 2 GLU C . 27440 1 7 . 1 1 4 4 GLU CA C 13 58.356 0.027 . 1 . . . . . 2 GLU CA . 27440 1 8 . 1 1 4 4 GLU CB C 13 29.18 0.001 . 1 . . . . . 2 GLU CB . 27440 1 9 . 1 1 4 4 GLU N N 15 121.962 0.273 . 1 . . . . . 2 GLU N . 27440 1 10 . 1 1 5 5 VAL H H 1 7.657 0.013 . 1 . . . . . 3 VAL HN . 27440 1 11 . 1 1 5 5 VAL C C 13 175.021 0 . 1 . . . . . 3 VAL C . 27440 1 12 . 1 1 5 5 VAL CA C 13 61.557 0.161 . 1 . . . . . 3 VAL CA . 27440 1 13 . 1 1 5 5 VAL CB C 13 33.739 0.012 . 1 . . . . . 3 VAL CB . 27440 1 14 . 1 1 5 5 VAL N N 15 119.049 0.185 . 1 . . . . . 3 VAL N . 27440 1 15 . 1 1 6 6 GLU H H 1 9.107 0.01 . 1 . . . . . 4 GLU HN . 27440 1 16 . 1 1 6 6 GLU C C 13 174.501 0 . 1 . . . . . 4 GLU C . 27440 1 17 . 1 1 6 6 GLU CA C 13 55.254 0.157 . 1 . . . . . 4 GLU CA . 27440 1 18 . 1 1 6 6 GLU CB C 13 31.659 0.013 . 1 . . . . . 4 GLU CB . 27440 1 19 . 1 1 6 6 GLU N N 15 127.517 0.139 . 1 . . . . . 4 GLU N . 27440 1 20 . 1 1 7 7 GLN H H 1 8.457 0.024 . 1 . . . . . 5 GLN HN . 27440 1 21 . 1 1 7 7 GLN C C 13 174.802 0 . 1 . . . . . 5 GLN C . 27440 1 22 . 1 1 7 7 GLN CA C 13 54.52 0 . 1 . . . . . 5 GLN CA . 27440 1 23 . 1 1 7 7 GLN CB C 13 33.848 0 . 1 . . . . . 5 GLN CB . 27440 1 24 . 1 1 7 7 GLN N N 15 122.591 0.222 . 1 . . . . . 5 GLN N . 27440 1 25 . 1 1 8 8 ASN CA C 13 53.452 0 . 1 . . . . . 6 ASN CA . 27440 1 26 . 1 1 8 8 ASN CB C 13 39.098 0 . 1 . . . . . 6 ASN CB . 27440 1 27 . 1 1 9 9 SER H H 1 7.641 0.001 . 1 . . . . . 7 SER HN . 27440 1 28 . 1 1 9 9 SER C C 13 176.309 0 . 1 . . . . . 7 SER C . 27440 1 29 . 1 1 9 9 SER CA C 13 60.568 0.446 . 1 . . . . . 7 SER CA . 27440 1 30 . 1 1 9 9 SER CB C 13 63.498 0.144 . 1 . . . . . 7 SER CB . 27440 1 31 . 1 1 9 9 SER N N 15 112.449 0 . 1 . . . . . 7 SER N . 27440 1 32 . 1 1 10 10 GLY H H 1 8.592 0.01 . 1 . . . . . 8 GLY HN . 27440 1 33 . 1 1 10 10 GLY C C 13 171.816 0 . 1 . . . . . 8 GLY C . 27440 1 34 . 1 1 10 10 GLY CA C 13 43.507 0 . 1 . . . . . 8 GLY CA . 27440 1 35 . 1 1 10 10 GLY N N 15 111.302 0.147 . 1 . . . . . 8 GLY N . 27440 1 36 . 1 1 11 11 PRO C C 13 176.733 0 . 1 . . . . . 9 PRO C . 27440 1 37 . 1 1 11 11 PRO CA C 13 61.917 0 . 1 . . . . . 9 PRO CA . 27440 1 38 . 1 1 11 11 PRO CB C 13 31.345 0 . 1 . . . . . 9 PRO CB . 27440 1 39 . 1 1 12 12 LEU H H 1 9.25 0.01 . 1 . . . . . 10 LEU HN . 27440 1 40 . 1 1 12 12 LEU C C 13 175.062 0 . 1 . . . . . 10 LEU C . 27440 1 41 . 1 1 12 12 LEU CA C 13 53.493 0.178 . 1 . . . . . 10 LEU CA . 27440 1 42 . 1 1 12 12 LEU CB C 13 39.987 0.041 . 1 . . . . . 10 LEU CB . 27440 1 43 . 1 1 12 12 LEU N N 15 124.905 0.039 . 1 . . . . . 10 LEU N . 27440 1 44 . 1 1 13 13 SER H H 1 7.952 0.014 . 1 . . . . . 11 SER HN . 27440 1 45 . 1 1 15 15 PRO C C 13 176.446 0 . 1 . . . . . 13 PRO C . 27440 1 46 . 1 1 15 15 PRO CA C 13 61.826 0 . 1 . . . . . 13 PRO CA . 27440 1 47 . 1 1 15 15 PRO CB C 13 31.539 0 . 1 . . . . . 13 PRO CB . 27440 1 48 . 1 1 16 16 GLU H H 1 7.904 0.009 . 1 . . . . . 14 GLU HN . 27440 1 49 . 1 1 16 16 GLU C C 13 177.528 0.014 . 1 . . . . . 14 GLU C . 27440 1 50 . 1 1 16 16 GLU CA C 13 57.222 0.181 . 1 . . . . . 14 GLU CA . 27440 1 51 . 1 1 16 16 GLU CB C 13 28.544 0.146 . 1 . . . . . 14 GLU CB . 27440 1 52 . 1 1 16 16 GLU N N 15 121.232 0.165 . 1 . . . . . 14 GLU N . 27440 1 53 . 1 1 17 17 GLY H H 1 9.706 0.009 . 1 . . . . . 15 GLY HN . 27440 1 54 . 1 1 17 17 GLY C C 13 174.021 0.041 . 1 . . . . . 15 GLY C . 27440 1 55 . 1 1 17 17 GLY CA C 13 44.317 0.042 . 1 . . . . . 15 GLY CA . 27440 1 56 . 1 1 17 17 GLY N N 15 116.159 0.159 . 1 . . . . . 15 GLY N . 27440 1 57 . 1 1 18 18 ALA H H 1 8.071 0.009 . 1 . . . . . 16 ALA HN . 27440 1 58 . 1 1 18 18 ALA C C 13 176.514 0.041 . 1 . . . . . 16 ALA C . 27440 1 59 . 1 1 18 18 ALA CA C 13 50.48 0.041 . 1 . . . . . 16 ALA CA . 27440 1 60 . 1 1 18 18 ALA CB C 13 19.581 0.025 . 1 . . . . . 16 ALA CB . 27440 1 61 . 1 1 18 18 ALA N N 15 124.629 0.188 . 1 . . . . . 16 ALA N . 27440 1 62 . 1 1 19 19 ILE H H 1 7.947 0.009 . 1 . . . . . 17 ILE HN . 27440 1 63 . 1 1 19 19 ILE C C 13 176.706 0.014 . 1 . . . . . 17 ILE C . 27440 1 64 . 1 1 19 19 ILE CA C 13 60.103 0.045 . 1 . . . . . 17 ILE CA . 27440 1 65 . 1 1 19 19 ILE CB C 13 38.752 0.007 . 1 . . . . . 17 ILE CB . 27440 1 66 . 1 1 19 19 ILE N N 15 119.695 0.214 . 1 . . . . . 17 ILE N . 27440 1 67 . 1 1 20 20 ALA H H 1 8.707 0.009 . 1 . . . . . 18 ALA HN . 27440 1 68 . 1 1 20 20 ALA C C 13 175.404 0.028 . 1 . . . . . 18 ALA C . 27440 1 69 . 1 1 20 20 ALA CA C 13 49.986 0.069 . 1 . . . . . 18 ALA CA . 27440 1 70 . 1 1 20 20 ALA CB C 13 19.075 0.021 . 1 . . . . . 18 ALA CB . 27440 1 71 . 1 1 20 20 ALA N N 15 131.627 0.146 . 1 . . . . . 18 ALA N . 27440 1 72 . 1 1 21 21 SER H H 1 7.988 0.009 . 1 . . . . . 19 SER HN . 27440 1 73 . 1 1 21 21 SER C C 13 172.459 0.014 . 1 . . . . . 19 SER C . 27440 1 74 . 1 1 21 21 SER CA C 13 56.319 0.093 . 1 . . . . . 19 SER CA . 27440 1 75 . 1 1 21 21 SER CB C 13 63.174 0.014 . 1 . . . . . 19 SER CB . 27440 1 76 . 1 1 21 21 SER N N 15 116.947 0.184 . 1 . . . . . 19 SER N . 27440 1 77 . 1 1 22 22 LEU H H 1 8.952 0.009 . 1 . . . . . 20 LEU HN . 27440 1 78 . 1 1 22 22 LEU C C 13 176.35 0.041 . 1 . . . . . 20 LEU C . 27440 1 79 . 1 1 22 22 LEU CA C 13 53.425 0.219 . 1 . . . . . 20 LEU CA . 27440 1 80 . 1 1 22 22 LEU CB C 13 42.603 0.027 . 1 . . . . . 20 LEU CB . 27440 1 81 . 1 1 22 22 LEU N N 15 127.958 0.151 . 1 . . . . . 20 LEU N . 27440 1 82 . 1 1 23 23 ASN H H 1 8.624 0.01 . 1 . . . . . 21 ASN HN . 27440 1 83 . 1 1 23 23 ASN C C 13 174.391 0 . 1 . . . . . 21 ASN C . 27440 1 84 . 1 1 23 23 ASN CA C 13 53.056 0 . 1 . . . . . 21 ASN CA . 27440 1 85 . 1 1 23 23 ASN CB C 13 37.973 0 . 1 . . . . . 21 ASN CB . 27440 1 86 . 1 1 23 23 ASN N N 15 122.805 0.138 . 1 . . . . . 21 ASN N . 27440 1 87 . 1 1 29 29 ARG C C 13 177.185 0 . 1 . . . . . 27 ARG C . 27440 1 88 . 1 1 29 29 ARG CA C 13 58.369 0 . 1 . . . . . 27 ARG CA . 27440 1 89 . 1 1 29 29 ARG CB C 13 29.236 0 . 1 . . . . . 27 ARG CB . 27440 1 90 . 1 1 30 30 GLY H H 1 9.109 0.01 . 1 . . . . . 28 GLY HN . 27440 1 91 . 1 1 30 30 GLY C C 13 174.542 0.041 . 1 . . . . . 28 GLY C . 27440 1 92 . 1 1 30 30 GLY CA C 13 44.7 0.097 . 1 . . . . . 28 GLY CA . 27440 1 93 . 1 1 30 30 GLY N N 15 108.986 0.187 . 1 . . . . . 28 GLY N . 27440 1 94 . 1 1 31 31 SER H H 1 7.591 0.021 . 1 . . . . . 29 SER HN . 27440 1 95 . 1 1 31 31 SER C C 13 174.487 0 . 1 . . . . . 29 SER C . 27440 1 96 . 1 1 31 31 SER CA C 13 62.009 0 . 1 . . . . . 29 SER CA . 27440 1 97 . 1 1 31 31 SER CB C 13 63.478 0.001 . 1 . . . . . 29 SER CB . 27440 1 98 . 1 1 31 31 SER N N 15 118.292 0.074 . 1 . . . . . 29 SER N . 27440 1 99 . 1 1 32 32 GLN H H 1 9.595 0.009 . 1 . . . . . 30 GLN HN . 27440 1 100 . 1 1 32 32 GLN C C 13 175.117 0 . 1 . . . . . 30 GLN C . 27440 1 101 . 1 1 32 32 GLN CA C 13 52.054 0 . 1 . . . . . 30 GLN CA . 27440 1 102 . 1 1 32 32 GLN CB C 13 30.008 0 . 1 . . . . . 30 GLN CB . 27440 1 103 . 1 1 32 32 GLN N N 15 122.919 0.151 . 1 . . . . . 30 GLN N . 27440 1 104 . 1 1 34 34 PHE C C 13 172.994 0 . 1 . . . . . 32 PHE C . 27440 1 105 . 1 1 34 34 PHE CA C 13 56.027 0 . 1 . . . . . 32 PHE CA . 27440 1 106 . 1 1 34 34 PHE CB C 13 40.139 0 . 1 . . . . . 32 PHE CB . 27440 1 107 . 1 1 35 35 PHE H H 1 8.812 0.003 . 1 . . . . . 33 PHE HN . 27440 1 108 . 1 1 35 35 PHE C C 13 174.117 0 . 1 . . . . . 33 PHE C . 27440 1 109 . 1 1 35 35 PHE CA C 13 55.438 0.26 . 1 . . . . . 33 PHE CA . 27440 1 110 . 1 1 35 35 PHE CB C 13 42.973 0.342 . 1 . . . . . 33 PHE CB . 27440 1 111 . 1 1 35 35 PHE N N 15 118.196 0.006 . 1 . . . . . 33 PHE N . 27440 1 112 . 1 1 36 36 TRP H H 1 8.592 0.01 . 1 . . . . . 34 TRP HN . 27440 1 113 . 1 1 36 36 TRP C C 13 174.994 0 . 1 . . . . . 34 TRP C . 27440 1 114 . 1 1 36 36 TRP CA C 13 55.168 0.018 . 1 . . . . . 34 TRP CA . 27440 1 115 . 1 1 36 36 TRP CB C 13 31.879 0.014 . 1 . . . . . 34 TRP CB . 27440 1 116 . 1 1 36 36 TRP N N 15 116.796 0.114 . 1 . . . . . 34 TRP N . 27440 1 117 . 1 1 37 37 TYR H H 1 9.696 0.008 . 1 . . . . . 35 TYR HN . 27440 1 118 . 1 1 37 37 TYR C C 13 174.487 0.014 . 1 . . . . . 35 TYR C . 27440 1 119 . 1 1 37 37 TYR CA C 13 55.745 0.184 . 1 . . . . . 35 TYR CA . 27440 1 120 . 1 1 37 37 TYR CB C 13 41.598 0.101 . 1 . . . . . 35 TYR CB . 27440 1 121 . 1 1 37 37 TYR N N 15 122.075 0.212 . 1 . . . . . 35 TYR N . 27440 1 122 . 1 1 38 38 ARG H H 1 9.473 0.009 . 1 . . . . . 36 ARG HN . 27440 1 123 . 1 1 38 38 ARG C C 13 174.172 0 . 1 . . . . . 36 ARG C . 27440 1 124 . 1 1 38 38 ARG CA C 13 53.808 0 . 1 . . . . . 36 ARG CA . 27440 1 125 . 1 1 38 38 ARG CB C 13 33.37 0 . 1 . . . . . 36 ARG CB . 27440 1 126 . 1 1 38 38 ARG N N 15 123.734 0.127 . 1 . . . . . 36 ARG N . 27440 1 127 . 1 1 39 39 GLN C C 13 175.596 0 . 1 . . . . . 37 GLN C . 27440 1 128 . 1 1 39 39 GLN CA C 13 53.482 0 . 1 . . . . . 37 GLN CA . 27440 1 129 . 1 1 39 39 GLN CB C 13 30.77 0 . 1 . . . . . 37 GLN CB . 27440 1 130 . 1 1 40 40 TYR H H 1 9.184 0.01 . 1 . . . . . 38 TYR HN . 27440 1 131 . 1 1 40 40 TYR C C 13 175.884 0.014 . 1 . . . . . 38 TYR C . 27440 1 132 . 1 1 40 40 TYR CA C 13 58.296 0.005 . 1 . . . . . 38 TYR CA . 27440 1 133 . 1 1 40 40 TYR CB C 13 37.825 0.038 . 1 . . . . . 38 TYR CB . 27440 1 134 . 1 1 40 40 TYR N N 15 132.206 0.143 . 1 . . . . . 38 TYR N . 27440 1 135 . 1 1 41 41 SER H H 1 8.655 0.01 . 1 . . . . . 39 SER HN . 27440 1 136 . 1 1 41 41 SER C C 13 176.637 0 . 1 . . . . . 39 SER C . 27440 1 137 . 1 1 41 41 SER CA C 13 60.031 0.004 . 1 . . . . . 39 SER CA . 27440 1 138 . 1 1 41 41 SER CB C 13 62.167 0.059 . 1 . . . . . 39 SER CB . 27440 1 139 . 1 1 41 41 SER N N 15 116.21 0.161 . 1 . . . . . 39 SER N . 27440 1 140 . 1 1 42 42 GLY H H 1 8.989 0.015 . 1 . . . . . 40 GLY HN . 27440 1 141 . 1 1 42 42 GLY C C 13 174.337 0.027 . 1 . . . . . 40 GLY C . 27440 1 142 . 1 1 42 42 GLY CA C 13 45.466 0.019 . 1 . . . . . 40 GLY CA . 27440 1 143 . 1 1 42 42 GLY N N 15 115.192 0.238 . 1 . . . . . 40 GLY N . 27440 1 144 . 1 1 43 43 LYS H H 1 8.095 0.011 . 1 . . . . . 41 LYS HN . 27440 1 145 . 1 1 43 43 LYS C C 13 175.815 0.11 . 1 . . . . . 41 LYS C . 27440 1 146 . 1 1 43 43 LYS CA C 13 53.301 0.013 . 1 . . . . . 41 LYS CA . 27440 1 147 . 1 1 43 43 LYS CB C 13 33.229 0.133 . 1 . . . . . 41 LYS CB . 27440 1 148 . 1 1 43 43 LYS N N 15 120.241 0.131 . 1 . . . . . 41 LYS N . 27440 1 149 . 1 1 44 44 SER H H 1 7.979 0.007 . 1 . . . . . 42 SER HN . 27440 1 150 . 1 1 44 44 SER C C 13 172.583 0 . 1 . . . . . 42 SER C . 27440 1 151 . 1 1 44 44 SER CA C 13 55.393 0 . 1 . . . . . 42 SER CA . 27440 1 152 . 1 1 44 44 SER CB C 13 63.325 0 . 1 . . . . . 42 SER CB . 27440 1 153 . 1 1 44 44 SER N N 15 114.126 0.15 . 1 . . . . . 42 SER N . 27440 1 154 . 1 1 45 45 PRO CA C 13 63.394 0 . 1 . . . . . 43 PRO CA . 27440 1 155 . 1 1 45 45 PRO CB C 13 31.071 0 . 1 . . . . . 43 PRO CB . 27440 1 156 . 1 1 46 46 GLU H H 1 8.443 0.013 . 1 . . . . . 44 GLU HN . 27440 1 157 . 1 1 46 46 GLU CA C 13 56.456 0 . 1 . . . . . 44 GLU CA . 27440 1 158 . 1 1 46 46 GLU CB C 13 28.663 0 . 1 . . . . . 44 GLU CB . 27440 1 159 . 1 1 46 46 GLU N N 15 125.988 0.169 . 1 . . . . . 44 GLU N . 27440 1 160 . 1 1 47 47 LEU C C 13 173.583 0 . 1 . . . . . 45 LEU C . 27440 1 161 . 1 1 47 47 LEU CA C 13 53.159 0 . 1 . . . . . 45 LEU CA . 27440 1 162 . 1 1 47 47 LEU CB C 13 46.589 0 . 1 . . . . . 45 LEU CB . 27440 1 163 . 1 1 48 48 ILE H H 1 8.915 0.008 . 1 . . . . . 46 ILE HN . 27440 1 164 . 1 1 48 48 ILE C C 13 175.09 0 . 1 . . . . . 46 ILE C . 27440 1 165 . 1 1 48 48 ILE CB C 13 37.816 0 . 1 . . . . . 46 ILE CB . 27440 1 166 . 1 1 48 48 ILE N N 15 130.292 0.033 . 1 . . . . . 46 ILE N . 27440 1 167 . 1 1 54 54 ASN C C 13 175.35 0 . 1 . . . . . 52 ASN C . 27440 1 168 . 1 1 54 54 ASN CA C 13 54.451 0 . 1 . . . . . 52 ASN CA . 27440 1 169 . 1 1 54 54 ASN CB C 13 39.342 0 . 1 . . . . . 52 ASN CB . 27440 1 170 . 1 1 55 55 GLY H H 1 8.525 0.008 . 1 . . . . . 53 GLY HN . 27440 1 171 . 1 1 55 55 GLY C C 13 171.734 0 . 1 . . . . . 53 GLY C . 27440 1 172 . 1 1 55 55 GLY CA C 13 43.611 0.036 . 1 . . . . . 53 GLY CA . 27440 1 173 . 1 1 55 55 GLY N N 15 111.651 0.151 . 1 . . . . . 53 GLY N . 27440 1 174 . 1 1 56 56 ASP H H 1 8.151 0.009 . 1 . . . . . 54 ASP HN . 27440 1 175 . 1 1 56 56 ASP C C 13 176.514 0.014 . 1 . . . . . 54 ASP C . 27440 1 176 . 1 1 56 56 ASP CA C 13 52.772 0.162 . 1 . . . . . 54 ASP CA . 27440 1 177 . 1 1 56 56 ASP CB C 13 42.46 0.158 . 1 . . . . . 54 ASP CB . 27440 1 178 . 1 1 56 56 ASP N N 15 119.677 0.134 . 1 . . . . . 54 ASP N . 27440 1 179 . 1 1 57 57 LYS H H 1 8.99 0.009 . 1 . . . . . 55 LYS HN . 27440 1 180 . 1 1 57 57 LYS C C 13 173.597 0 . 1 . . . . . 55 LYS C . 27440 1 181 . 1 1 57 57 LYS CA C 13 55.808 0.027 . 1 . . . . . 55 LYS CA . 27440 1 182 . 1 1 57 57 LYS CB C 13 35.317 0.026 . 1 . . . . . 55 LYS CB . 27440 1 183 . 1 1 57 57 LYS N N 15 122.956 0.143 . 1 . . . . . 55 LYS N . 27440 1 184 . 1 1 58 58 GLU H H 1 8.715 0.01 . 1 . . . . . 56 GLU HN . 27440 1 185 . 1 1 58 58 GLU C C 13 176.103 0.014 . 1 . . . . . 56 GLU C . 27440 1 186 . 1 1 58 58 GLU CA C 13 54.698 0.198 . 1 . . . . . 56 GLU CA . 27440 1 187 . 1 1 58 58 GLU CB C 13 32.12 0.09 . 1 . . . . . 56 GLU CB . 27440 1 188 . 1 1 58 58 GLU N N 15 126.569 0.212 . 1 . . . . . 56 GLU N . 27440 1 189 . 1 1 59 59 ASP H H 1 8.965 0.009 . 1 . . . . . 57 ASP HN . 27440 1 190 . 1 1 59 59 ASP C C 13 175.993 0.124 . 1 . . . . . 57 ASP C . 27440 1 191 . 1 1 59 59 ASP CA C 13 53.793 0.068 . 1 . . . . . 57 ASP CA . 27440 1 192 . 1 1 59 59 ASP CB C 13 42.206 0.04 . 1 . . . . . 57 ASP CB . 27440 1 193 . 1 1 59 59 ASP N N 15 124.918 0.199 . 1 . . . . . 57 ASP N . 27440 1 194 . 1 1 60 60 GLY H H 1 8.879 0.008 . 1 . . . . . 58 GLY HN . 27440 1 195 . 1 1 60 60 GLY C C 13 176.048 0.014 . 1 . . . . . 58 GLY C . 27440 1 196 . 1 1 60 60 GLY CA C 13 46.554 0.066 . 1 . . . . . 58 GLY CA . 27440 1 197 . 1 1 60 60 GLY N N 15 116.063 0.173 . 1 . . . . . 58 GLY N . 27440 1 198 . 1 1 61 61 ARG H H 1 8.648 0.013 . 1 . . . . . 59 ARG HN . 27440 1 199 . 1 1 61 61 ARG C C 13 174.391 0 . 1 . . . . . 59 ARG C . 27440 1 200 . 1 1 61 61 ARG CA C 13 56.742 0.195 . 1 . . . . . 59 ARG CA . 27440 1 201 . 1 1 61 61 ARG CB C 13 27.987 0.178 . 1 . . . . . 59 ARG CB . 27440 1 202 . 1 1 61 61 ARG N N 15 127.363 0.15 . 1 . . . . . 59 ARG N . 27440 1 203 . 1 1 62 62 PHE H H 1 7.938 0.009 . 1 . . . . . 60 PHE HN . 27440 1 204 . 1 1 62 62 PHE C C 13 176.267 0.014 . 1 . . . . . 60 PHE C . 27440 1 205 . 1 1 62 62 PHE CA C 13 55.323 0.016 . 1 . . . . . 60 PHE CA . 27440 1 206 . 1 1 62 62 PHE CB C 13 40.099 0.099 . 1 . . . . . 60 PHE CB . 27440 1 207 . 1 1 62 62 PHE N N 15 118.536 0.185 . 1 . . . . . 60 PHE N . 27440 1 208 . 1 1 63 63 THR H H 1 8.883 0.008 . 1 . . . . . 61 THR HN . 27440 1 209 . 1 1 63 63 THR C C 13 173.309 0.014 . 1 . . . . . 61 THR C . 27440 1 210 . 1 1 63 63 THR CA C 13 61.599 0.12 . 1 . . . . . 61 THR CA . 27440 1 211 . 1 1 63 63 THR CB C 13 71.201 0.03 . 1 . . . . . 61 THR CB . 27440 1 212 . 1 1 63 63 THR N N 15 118.74 0.121 . 1 . . . . . 61 THR N . 27440 1 213 . 1 1 64 64 ALA H H 1 9.354 0.01 . 1 . . . . . 62 ALA HN . 27440 1 214 . 1 1 64 64 ALA C C 13 175.158 0 . 1 . . . . . 62 ALA C . 27440 1 215 . 1 1 64 64 ALA CA C 13 49.048 0.176 . 1 . . . . . 62 ALA CA . 27440 1 216 . 1 1 64 64 ALA CB C 13 20.728 0.041 . 1 . . . . . 62 ALA CB . 27440 1 217 . 1 1 64 64 ALA N N 15 129.65 0.162 . 1 . . . . . 62 ALA N . 27440 1 218 . 1 1 65 65 GLN H H 1 8.104 0.01 . 1 . . . . . 63 GLN HN . 27440 1 219 . 1 1 65 65 GLN C C 13 173.761 0.055 . 1 . . . . . 63 GLN C . 27440 1 220 . 1 1 65 65 GLN CA C 13 53.865 0.139 . 1 . . . . . 63 GLN CA . 27440 1 221 . 1 1 65 65 GLN CB C 13 31.785 0.026 . 1 . . . . . 63 GLN CB . 27440 1 222 . 1 1 65 65 GLN N N 15 118.727 0.137 . 1 . . . . . 63 GLN N . 27440 1 223 . 1 1 66 66 LEU H H 1 8.694 0.009 . 1 . . . . . 64 LEU HN . 27440 1 224 . 1 1 66 66 LEU C C 13 175.185 0.028 . 1 . . . . . 64 LEU C . 27440 1 225 . 1 1 66 66 LEU CA C 13 53.218 0.199 . 1 . . . . . 64 LEU CA . 27440 1 226 . 1 1 66 66 LEU CB C 13 44.142 0.02 . 1 . . . . . 64 LEU CB . 27440 1 227 . 1 1 66 66 LEU N N 15 125.605 0.181 . 1 . . . . . 64 LEU N . 27440 1 228 . 1 1 67 67 ASN H H 1 8.376 0.011 . 1 . . . . . 65 ASN HN . 27440 1 229 . 1 1 67 67 ASN C C 13 174.747 0 . 1 . . . . . 65 ASN C . 27440 1 230 . 1 1 67 67 ASN CA C 13 51.123 0 . 1 . . . . . 65 ASN CA . 27440 1 231 . 1 1 67 67 ASN CB C 13 38.126 0 . 1 . . . . . 65 ASN CB . 27440 1 232 . 1 1 67 67 ASN N N 15 126.199 0.191 . 1 . . . . . 65 ASN N . 27440 1 233 . 1 1 68 68 LYS C C 13 179.076 0 . 1 . . . . . 66 LYS C . 27440 1 234 . 1 1 68 68 LYS CA C 13 55.644 0 . 1 . . . . . 66 LYS CA . 27440 1 235 . 1 1 68 68 LYS CB C 13 31.334 0 . 1 . . . . . 66 LYS CB . 27440 1 236 . 1 1 69 69 ALA H H 1 8.156 0.011 . 1 . . . . . 67 ALA HN . 27440 1 237 . 1 1 69 69 ALA C C 13 179.856 0.014 . 1 . . . . . 67 ALA C . 27440 1 238 . 1 1 69 69 ALA CA C 13 54.42 0.045 . 1 . . . . . 67 ALA CA . 27440 1 239 . 1 1 69 69 ALA CB C 13 17.246 0.01 . 1 . . . . . 67 ALA CB . 27440 1 240 . 1 1 69 69 ALA N N 15 122.1 0.157 . 1 . . . . . 67 ALA N . 27440 1 241 . 1 1 70 70 SER H H 1 7.246 0.011 . 1 . . . . . 68 SER HN . 27440 1 242 . 1 1 70 70 SER C C 13 172.117 0 . 1 . . . . . 68 SER C . 27440 1 243 . 1 1 70 70 SER CA C 13 57.665 0 . 1 . . . . . 68 SER CA . 27440 1 244 . 1 1 70 70 SER CB C 13 63.509 0 . 1 . . . . . 68 SER CB . 27440 1 245 . 1 1 70 70 SER N N 15 112.168 0.202 . 1 . . . . . 68 SER N . 27440 1 246 . 1 1 72 72 TYR C C 13 172.802 0 . 1 . . . . . 70 TYR C . 27440 1 247 . 1 1 72 72 TYR CA C 13 56.034 0 . 1 . . . . . 70 TYR CA . 27440 1 248 . 1 1 72 72 TYR CB C 13 41.69 0 . 1 . . . . . 70 TYR CB . 27440 1 249 . 1 1 73 73 VAL H H 1 9.244 0.009 . 1 . . . . . 71 VAL HN . 27440 1 250 . 1 1 73 73 VAL C C 13 173.98 0 . 1 . . . . . 71 VAL C . 27440 1 251 . 1 1 73 73 VAL CA C 13 58.507 0.159 . 1 . . . . . 71 VAL CA . 27440 1 252 . 1 1 73 73 VAL CB C 13 34.011 0.026 . 1 . . . . . 71 VAL CB . 27440 1 253 . 1 1 73 73 VAL N N 15 122.407 0.149 . 1 . . . . . 71 VAL N . 27440 1 254 . 1 1 74 74 SER H H 1 9.507 0.007 . 1 . . . . . 72 SER HN . 27440 1 255 . 1 1 74 74 SER C C 13 173.857 0.041 . 1 . . . . . 72 SER C . 27440 1 256 . 1 1 74 74 SER CA C 13 56.221 0.072 . 1 . . . . . 72 SER CA . 27440 1 257 . 1 1 74 74 SER CB C 13 66.107 0.19 . 1 . . . . . 72 SER CB . 27440 1 258 . 1 1 74 74 SER N N 15 122.006 0.154 . 1 . . . . . 72 SER N . 27440 1 259 . 1 1 75 75 LEU H H 1 8.159 0.011 . 1 . . . . . 73 LEU HN . 27440 1 260 . 1 1 75 75 LEU C C 13 172.857 0 . 1 . . . . . 73 LEU C . 27440 1 261 . 1 1 75 75 LEU CA C 13 53.73 0.064 . 1 . . . . . 73 LEU CA . 27440 1 262 . 1 1 75 75 LEU CB C 13 41.929 0.011 . 1 . . . . . 73 LEU CB . 27440 1 263 . 1 1 75 75 LEU N N 15 124.236 0.241 . 1 . . . . . 73 LEU N . 27440 1 264 . 1 1 76 76 LEU H H 1 9.111 0.008 . 1 . . . . . 74 LEU HN . 27440 1 265 . 1 1 76 76 LEU C C 13 176.583 0 . 1 . . . . . 74 LEU C . 27440 1 266 . 1 1 76 76 LEU CA C 13 52.783 0 . 1 . . . . . 74 LEU CA . 27440 1 267 . 1 1 76 76 LEU CB C 13 42.505 0 . 1 . . . . . 74 LEU CB . 27440 1 268 . 1 1 76 76 LEU N N 15 126.745 0.168 . 1 . . . . . 74 LEU N . 27440 1 269 . 1 1 85 85 SER C C 13 172.994 0 . 1 . . . . . 83 SER C . 27440 1 270 . 1 1 85 85 SER CA C 13 60.52 0 . 1 . . . . . 83 SER CA . 27440 1 271 . 1 1 85 85 SER CB C 13 62.438 0 . 1 . . . . . 83 SER CB . 27440 1 272 . 1 1 86 86 ALA H H 1 8.533 0.008 . 1 . . . . . 84 ALA HN . 27440 1 273 . 1 1 86 86 ALA C C 13 175.528 0.014 . 1 . . . . . 84 ALA C . 27440 1 274 . 1 1 86 86 ALA CA C 13 51.279 0.075 . 1 . . . . . 84 ALA CA . 27440 1 275 . 1 1 86 86 ALA CB C 13 19.186 0.048 . 1 . . . . . 84 ALA CB . 27440 1 276 . 1 1 86 86 ALA N N 15 128.479 0.219 . 1 . . . . . 84 ALA N . 27440 1 277 . 1 1 87 87 THR H H 1 7.885 0.012 . 1 . . . . . 85 THR HN . 27440 1 278 . 1 1 87 87 THR C C 13 173.172 0.068 . 1 . . . . . 85 THR C . 27440 1 279 . 1 1 87 87 THR CA C 13 62.877 0.018 . 1 . . . . . 85 THR CA . 27440 1 280 . 1 1 87 87 THR CB C 13 68.775 0.023 . 1 . . . . . 85 THR CB . 27440 1 281 . 1 1 87 87 THR N N 15 115.813 0.18 . 1 . . . . . 85 THR N . 27440 1 282 . 1 1 88 88 TYR H H 1 8.834 0.009 . 1 . . . . . 86 TYR HN . 27440 1 283 . 1 1 88 88 TYR C C 13 176.309 0 . 1 . . . . . 86 TYR C . 27440 1 284 . 1 1 88 88 TYR CA C 13 56.653 0.223 . 1 . . . . . 86 TYR CA . 27440 1 285 . 1 1 88 88 TYR CB C 13 39.864 0.083 . 1 . . . . . 86 TYR CB . 27440 1 286 . 1 1 88 88 TYR N N 15 126.534 0.147 . 1 . . . . . 86 TYR N . 27440 1 287 . 1 1 89 89 LEU H H 1 9.834 0.01 . 1 . . . . . 87 LEU HN . 27440 1 288 . 1 1 89 89 LEU C C 13 173.761 0.027 . 1 . . . . . 87 LEU C . 27440 1 289 . 1 1 89 89 LEU CA C 13 54.48 0.014 . 1 . . . . . 87 LEU CA . 27440 1 290 . 1 1 89 89 LEU CB C 13 43.645 0 . 1 . . . . . 87 LEU CB . 27440 1 291 . 1 1 89 89 LEU N N 15 127.136 0.219 . 1 . . . . . 87 LEU N . 27440 1 292 . 1 1 90 90 CYS H H 1 7.793 0.016 . 1 . . . . . 88 CYS HN . 27440 1 293 . 1 1 90 90 CYS C C 13 171.692 0.069 . 1 . . . . . 88 CYS C . 27440 1 294 . 1 1 90 90 CYS CA C 13 52.316 0.122 . 1 . . . . . 88 CYS CA . 27440 1 295 . 1 1 90 90 CYS CB C 13 42.357 0.001 . 1 . . . . . 88 CYS CB . 27440 1 296 . 1 1 90 90 CYS N N 15 122.698 0.371 . 1 . . . . . 88 CYS N . 27440 1 297 . 1 1 91 91 ALA H H 1 8.673 0.009 . 1 . . . . . 89 ALA HN . 27440 1 298 . 1 1 91 91 ALA C C 13 174.911 0.001 . 1 . . . . . 89 ALA C . 27440 1 299 . 1 1 91 91 ALA CA C 13 49.713 0.006 . 1 . . . . . 89 ALA CA . 27440 1 300 . 1 1 91 91 ALA CB C 13 21.356 0.045 . 1 . . . . . 89 ALA CB . 27440 1 301 . 1 1 91 91 ALA N N 15 127.547 0.148 . 1 . . . . . 89 ALA N . 27440 1 302 . 1 1 92 92 VAL H H 1 8.225 0.01 . 1 . . . . . 90 VAL HN . 27440 1 303 . 1 1 92 92 VAL C C 13 174.994 0 . 1 . . . . . 90 VAL C . 27440 1 304 . 1 1 92 92 VAL CA C 13 58.633 0 . 1 . . . . . 90 VAL CA . 27440 1 305 . 1 1 92 92 VAL CB C 13 34.493 0 . 1 . . . . . 90 VAL CB . 27440 1 306 . 1 1 92 92 VAL N N 15 115.44 0.187 . 1 . . . . . 90 VAL N . 27440 1 307 . 1 1 94 94 THR C C 13 176.117 0 . 1 . . . . . 92 THR C . 27440 1 308 . 1 1 94 94 THR CA C 13 62.273 0 . 1 . . . . . 92 THR CA . 27440 1 309 . 1 1 94 94 THR CB C 13 69.78 0 . 1 . . . . . 92 THR CB . 27440 1 310 . 1 1 95 95 ASP H H 1 8.091 0.013 . 1 . . . . . 93 ASP HN . 27440 1 311 . 1 1 95 95 ASP C C 13 177.487 0.027 . 1 . . . . . 93 ASP C . 27440 1 312 . 1 1 95 95 ASP CA C 13 54.267 0.172 . 1 . . . . . 93 ASP CA . 27440 1 313 . 1 1 95 95 ASP CB C 13 41.261 0.027 . 1 . . . . . 93 ASP CB . 27440 1 314 . 1 1 95 95 ASP N N 15 123.239 0.153 . 1 . . . . . 93 ASP N . 27440 1 315 . 1 1 96 96 SER H H 1 9.047 0.011 . 1 . . . . . 94 SER HN . 27440 1 316 . 1 1 96 96 SER N N 15 121.308 0.264 . 1 . . . . . 94 SER N . 27440 1 317 . 1 1 97 97 TRP C C 13 176.377 0 . 1 . . . . . 95 TRP C . 27440 1 318 . 1 1 98 98 GLY H H 1 8.356 0.01 . 1 . . . . . 96 GLY HN . 27440 1 319 . 1 1 98 98 GLY CA C 13 43.972 0 . 1 . . . . . 96 GLY CA . 27440 1 320 . 1 1 98 98 GLY N N 15 113.321 0.152 . 1 . . . . . 96 GLY N . 27440 1 321 . 1 1 99 99 LYS CA C 13 54.09 0 . 1 . . . . . 97 LYS CA . 27440 1 322 . 1 1 99 99 LYS CB C 13 32.162 0 . 1 . . . . . 97 LYS CB . 27440 1 323 . 1 1 100 100 LEU H H 1 8.804 0.011 . 1 . . . . . 98 LEU HN . 27440 1 324 . 1 1 100 100 LEU CA C 13 56.385 0 . 1 . . . . . 98 LEU CA . 27440 1 325 . 1 1 100 100 LEU CB C 13 40.487 0 . 1 . . . . . 98 LEU CB . 27440 1 326 . 1 1 100 100 LEU N N 15 130.09 0.101 . 1 . . . . . 98 LEU N . 27440 1 327 . 1 1 101 101 GLN H H 1 8.512 0.006 . 1 . . . . . 99 GLN HN . 27440 1 328 . 1 1 101 101 GLN C C 13 174.5 0.028 . 1 . . . . . 99 GLN C . 27440 1 329 . 1 1 101 101 GLN CA C 13 54.548 0.219 . 1 . . . . . 99 GLN CA . 27440 1 330 . 1 1 101 101 GLN CB C 13 29.712 0.006 . 1 . . . . . 99 GLN CB . 27440 1 331 . 1 1 101 101 GLN N N 15 125.005 0.133 . 1 . . . . . 99 GLN N . 27440 1 332 . 1 1 102 102 PHE H H 1 9.064 0.013 . 1 . . . . . 100 PHE HN . 27440 1 333 . 1 1 102 102 PHE C C 13 178.843 0.041 . 1 . . . . . 100 PHE C . 27440 1 334 . 1 1 102 102 PHE CA C 13 57.526 0.086 . 1 . . . . . 100 PHE CA . 27440 1 335 . 1 1 102 102 PHE CB C 13 41.72 0.021 . 1 . . . . . 100 PHE CB . 27440 1 336 . 1 1 102 102 PHE N N 15 122.487 0.181 . 1 . . . . . 100 PHE N . 27440 1 337 . 1 1 103 103 GLY H H 1 9.014 0.01 . 1 . . . . . 101 GLY HN . 27440 1 338 . 1 1 103 103 GLY C C 13 173.159 0.027 . 1 . . . . . 101 GLY C . 27440 1 339 . 1 1 103 103 GLY CA C 13 43.667 0.03 . 1 . . . . . 101 GLY CA . 27440 1 340 . 1 1 103 103 GLY N N 15 109.088 0.142 . 1 . . . . . 101 GLY N . 27440 1 341 . 1 1 104 104 ALA H H 1 8.56 0.009 . 1 . . . . . 102 ALA HN . 27440 1 342 . 1 1 104 104 ALA C C 13 178.582 0.055 . 1 . . . . . 102 ALA C . 27440 1 343 . 1 1 104 104 ALA CA C 13 53.034 0.171 . 1 . . . . . 102 ALA CA . 27440 1 344 . 1 1 104 104 ALA CB C 13 18.035 0.089 . 1 . . . . . 102 ALA CB . 27440 1 345 . 1 1 104 104 ALA N N 15 117.827 0.151 . 1 . . . . . 102 ALA N . 27440 1 346 . 1 1 105 105 GLY H H 1 7.172 0.013 . 1 . . . . . 103 GLY HN . 27440 1 347 . 1 1 105 105 GLY C C 13 172.364 0.055 . 1 . . . . . 103 GLY C . 27440 1 348 . 1 1 105 105 GLY CA C 13 43.888 0.078 . 1 . . . . . 103 GLY CA . 27440 1 349 . 1 1 105 105 GLY N N 15 103.946 0.158 . 1 . . . . . 103 GLY N . 27440 1 350 . 1 1 106 106 THR H H 1 8.355 0.015 . 1 . . . . . 104 THR HN . 27440 1 351 . 1 1 106 106 THR C C 13 175.329 0.048 . 1 . . . . . 104 THR C . 27440 1 352 . 1 1 106 106 THR CA C 13 61.862 0.028 . 1 . . . . . 104 THR CA . 27440 1 353 . 1 1 106 106 THR CB C 13 71.452 0.081 . 1 . . . . . 104 THR CB . 27440 1 354 . 1 1 106 106 THR N N 15 119.061 0.126 . 1 . . . . . 104 THR N . 27440 1 355 . 1 1 107 107 GLN H H 1 8.812 0.008 . 1 . . . . . 105 GLN HN . 27440 1 356 . 1 1 107 107 GLN C C 13 173.987 0.021 . 1 . . . . . 105 GLN C . 27440 1 357 . 1 1 107 107 GLN CA C 13 56.438 0.164 . 1 . . . . . 105 GLN CA . 27440 1 358 . 1 1 107 107 GLN CB C 13 27.951 0.068 . 1 . . . . . 105 GLN CB . 27440 1 359 . 1 1 107 107 GLN N N 15 129.89 0.152 . 1 . . . . . 105 GLN N . 27440 1 360 . 1 1 108 108 VAL H H 1 9.198 0.009 . 1 . . . . . 106 VAL HN . 27440 1 361 . 1 1 108 108 VAL C C 13 175.418 0.041 . 1 . . . . . 106 VAL C . 27440 1 362 . 1 1 108 108 VAL CA C 13 61.32 0.008 . 1 . . . . . 106 VAL CA . 27440 1 363 . 1 1 108 108 VAL CB C 13 33.659 0.068 . 1 . . . . . 106 VAL CB . 27440 1 364 . 1 1 108 108 VAL N N 15 129.398 0.127 . 1 . . . . . 106 VAL N . 27440 1 365 . 1 1 109 109 VAL H H 1 9.193 0.009 . 1 . . . . . 107 VAL HN . 27440 1 366 . 1 1 109 109 VAL C C 13 173.734 0 . 1 . . . . . 107 VAL C . 27440 1 367 . 1 1 109 109 VAL CA C 13 61.294 0.114 . 1 . . . . . 107 VAL CA . 27440 1 368 . 1 1 109 109 VAL CB C 13 33.169 0.028 . 1 . . . . . 107 VAL CB . 27440 1 369 . 1 1 109 109 VAL N N 15 130.845 0.204 . 1 . . . . . 107 VAL N . 27440 1 370 . 1 1 110 110 VAL H H 1 8.494 0.01 . 1 . . . . . 108 VAL HN . 27440 1 371 . 1 1 110 110 VAL C C 13 177.473 0.014 . 1 . . . . . 108 VAL C . 27440 1 372 . 1 1 110 110 VAL CA C 13 59.523 0.016 . 1 . . . . . 108 VAL CA . 27440 1 373 . 1 1 110 110 VAL CB C 13 30.346 0.162 . 1 . . . . . 108 VAL CB . 27440 1 374 . 1 1 110 110 VAL N N 15 129.038 0.178 . 1 . . . . . 108 VAL N . 27440 1 375 . 1 1 111 111 THR H H 1 8.811 0.009 . 1 . . . . . 109 THR HN . 27440 1 376 . 1 1 111 111 THR C C 13 172.912 0 . 1 . . . . . 109 THR C . 27440 1 377 . 1 1 111 111 THR CA C 13 57.944 0 . 1 . . . . . 109 THR CA . 27440 1 378 . 1 1 111 111 THR CB C 13 68.489 0 . 1 . . . . . 109 THR CB . 27440 1 379 . 1 1 111 111 THR N N 15 122.53 0.221 . 1 . . . . . 109 THR N . 27440 1 380 . 1 1 114 114 ILE C C 13 175.364 0 . 1 . . . . . 112 ILE C . 27440 1 381 . 1 1 114 114 ILE CA C 13 60.301 0 . 1 . . . . . 112 ILE CA . 27440 1 382 . 1 1 114 114 ILE CB C 13 38.089 0 . 1 . . . . . 112 ILE CB . 27440 1 383 . 1 1 115 115 GLN H H 1 8.458 0.009 . 1 . . . . . 113 GLN HN . 27440 1 384 . 1 1 115 115 GLN C C 13 174.774 0.014 . 1 . . . . . 113 GLN C . 27440 1 385 . 1 1 115 115 GLN CA C 13 55.169 0.063 . 1 . . . . . 113 GLN CA . 27440 1 386 . 1 1 115 115 GLN CB C 13 30.351 0.104 . 1 . . . . . 113 GLN CB . 27440 1 387 . 1 1 115 115 GLN N N 15 124 0.131 . 1 . . . . . 113 GLN N . 27440 1 388 . 1 1 116 116 ASN H H 1 8.218 0.009 . 1 . . . . . 114 ASN HN . 27440 1 389 . 1 1 116 116 ASN C C 13 175.939 0 . 1 . . . . . 114 ASN C . 27440 1 390 . 1 1 116 116 ASN CA C 13 54.986 0 . 1 . . . . . 114 ASN CA . 27440 1 391 . 1 1 116 116 ASN CB C 13 38.916 0 . 1 . . . . . 114 ASN CB . 27440 1 392 . 1 1 116 116 ASN N N 15 118.933 0.206 . 1 . . . . . 114 ASN N . 27440 1 393 . 1 1 117 117 PRO C C 13 175.344 0 . 1 . . . . . 115 PRO C . 27440 1 394 . 1 1 117 117 PRO CA C 13 63.753 0 . 1 . . . . . 115 PRO CA . 27440 1 395 . 1 1 117 117 PRO CB C 13 31.622 0 . 1 . . . . . 115 PRO CB . 27440 1 396 . 1 1 118 118 ASP H H 1 8.906 0.011 . 1 . . . . . 116 ASP HN . 27440 1 397 . 1 1 118 118 ASP CA C 13 55.123 0 . 1 . . . . . 116 ASP CA . 27440 1 398 . 1 1 118 118 ASP CB C 13 40.876 0 . 1 . . . . . 116 ASP CB . 27440 1 399 . 1 1 118 118 ASP N N 15 122.066 0.524 . 1 . . . . . 116 ASP N . 27440 1 400 . 1 1 121 121 VAL C C 13 175.103 0 . 1 . . . . . 119 VAL C . 27440 1 401 . 1 1 121 121 VAL CA C 13 54.765 0 . 1 . . . . . 119 VAL CA . 27440 1 402 . 1 1 121 121 VAL CB C 13 29.686 0 . 1 . . . . . 119 VAL CB . 27440 1 403 . 1 1 122 122 TYR H H 1 8.877 0.009 . 1 . . . . . 120 TYR HN . 27440 1 404 . 1 1 122 122 TYR C C 13 176.363 0 . 1 . . . . . 120 TYR C . 27440 1 405 . 1 1 122 122 TYR CA C 13 55.252 0.091 . 1 . . . . . 120 TYR CA . 27440 1 406 . 1 1 122 122 TYR CB C 13 43.547 0.016 . 1 . . . . . 120 TYR CB . 27440 1 407 . 1 1 122 122 TYR N N 15 131.058 0.169 . 1 . . . . . 120 TYR N . 27440 1 408 . 1 1 123 123 GLN H H 1 8.889 0.008 . 1 . . . . . 121 GLN HN . 27440 1 409 . 1 1 123 123 GLN C C 13 176.199 0 . 1 . . . . . 121 GLN C . 27440 1 410 . 1 1 123 123 GLN CA C 13 54.978 0.184 . 1 . . . . . 121 GLN CA . 27440 1 411 . 1 1 123 123 GLN CB C 13 31.303 0.069 . 1 . . . . . 121 GLN CB . 27440 1 412 . 1 1 123 123 GLN N N 15 120.644 0.198 . 1 . . . . . 121 GLN N . 27440 1 413 . 1 1 124 124 LEU H H 1 8.068 0.009 . 1 . . . . . 122 LEU HN . 27440 1 414 . 1 1 124 124 LEU CA C 13 52.739 0 . 1 . . . . . 122 LEU CA . 27440 1 415 . 1 1 124 124 LEU CB C 13 41.519 0 . 1 . . . . . 122 LEU CB . 27440 1 416 . 1 1 124 124 LEU N N 15 123.191 0.152 . 1 . . . . . 122 LEU N . 27440 1 417 . 1 1 127 127 SER C C 13 173.747 0 . 1 . . . . . 125 SER C . 27440 1 418 . 1 1 127 127 SER CA C 13 57.687 0 . 1 . . . . . 125 SER CA . 27440 1 419 . 1 1 127 127 SER CB C 13 64.082 0 . 1 . . . . . 125 SER CB . 27440 1 420 . 1 1 128 128 LYS H H 1 8.213 0.013 . 1 . . . . . 126 LYS HN . 27440 1 421 . 1 1 128 128 LYS C C 13 176.226 0.069 . 1 . . . . . 126 LYS C . 27440 1 422 . 1 1 128 128 LYS CA C 13 55.37 0.027 . 1 . . . . . 126 LYS CA . 27440 1 423 . 1 1 128 128 LYS CB C 13 28.878 0.054 . 1 . . . . . 126 LYS CB . 27440 1 424 . 1 1 128 128 LYS N N 15 120.989 0.16 . 1 . . . . . 126 LYS N . 27440 1 425 . 1 1 129 129 SER H H 1 8.591 0.01 . 1 . . . . . 127 SER HN . 27440 1 426 . 1 1 129 129 SER C C 13 176.185 0 . 1 . . . . . 127 SER C . 27440 1 427 . 1 1 129 129 SER CA C 13 57.955 0.175 . 1 . . . . . 127 SER CA . 27440 1 428 . 1 1 129 129 SER CB C 13 63.546 0.067 . 1 . . . . . 127 SER CB . 27440 1 429 . 1 1 129 129 SER N N 15 115.411 0.306 . 1 . . . . . 127 SER N . 27440 1 430 . 1 1 130 130 SER H H 1 7.955 0.028 . 1 . . . . . 128 SER HN . 27440 1 431 . 1 1 130 130 SER C C 13 174.172 0 . 1 . . . . . 128 SER C . 27440 1 432 . 1 1 130 130 SER CA C 13 61.589 0 . 1 . . . . . 128 SER CA . 27440 1 433 . 1 1 130 130 SER CB C 13 63.379 0 . 1 . . . . . 128 SER CB . 27440 1 434 . 1 1 130 130 SER N N 15 127.592 0.14 . 1 . . . . . 128 SER N . 27440 1 435 . 1 1 131 131 ASP H H 1 8.488 0.01 . 1 . . . . . 129 ASP HN . 27440 1 436 . 1 1 131 131 ASP C C 13 176.038 0.003 . 1 . . . . . 129 ASP C . 27440 1 437 . 1 1 131 131 ASP CA C 13 54.227 0.186 . 1 . . . . . 129 ASP CA . 27440 1 438 . 1 1 131 131 ASP CB C 13 40.096 0.005 . 1 . . . . . 129 ASP CB . 27440 1 439 . 1 1 131 131 ASP N N 15 120.253 0.252 . 1 . . . . . 129 ASP N . 27440 1 440 . 1 1 132 132 LYS H H 1 8.115 0.011 . 1 . . . . . 130 LYS HN . 27440 1 441 . 1 1 132 132 LYS C C 13 175.966 0.041 . 1 . . . . . 130 LYS C . 27440 1 442 . 1 1 132 132 LYS CA C 13 56.206 0.095 . 1 . . . . . 130 LYS CA . 27440 1 443 . 1 1 132 132 LYS CB C 13 33.302 0.015 . 1 . . . . . 130 LYS CB . 27440 1 444 . 1 1 132 132 LYS N N 15 121.099 0.176 . 1 . . . . . 130 LYS N . 27440 1 445 . 1 1 133 133 SER H H 1 8.429 0.021 . 1 . . . . . 131 SER HN . 27440 1 446 . 1 1 133 133 SER C C 13 173.405 0 . 1 . . . . . 131 SER C . 27440 1 447 . 1 1 133 133 SER CA C 13 57.944 0 . 1 . . . . . 131 SER CA . 27440 1 448 . 1 1 133 133 SER CB C 13 66.328 0 . 1 . . . . . 131 SER CB . 27440 1 449 . 1 1 133 133 SER N N 15 116.618 0.129 . 1 . . . . . 131 SER N . 27440 1 450 . 1 1 134 134 VAL C C 13 176.131 0 . 1 . . . . . 132 VAL C . 27440 1 451 . 1 1 134 134 VAL CA C 13 62.019 0 . 1 . . . . . 132 VAL CA . 27440 1 452 . 1 1 134 134 VAL CB C 13 33.431 0 . 1 . . . . . 132 VAL CB . 27440 1 453 . 1 1 135 135 CYS H H 1 9.239 0.01 . 1 . . . . . 133 CYS HN . 27440 1 454 . 1 1 135 135 CYS C C 13 174.953 0 . 1 . . . . . 133 CYS C . 27440 1 455 . 1 1 135 135 CYS CA C 13 53.647 0.166 . 1 . . . . . 133 CYS CA . 27440 1 456 . 1 1 135 135 CYS CB C 13 42.617 0.179 . 1 . . . . . 133 CYS CB . 27440 1 457 . 1 1 135 135 CYS N N 15 127.558 0.201 . 1 . . . . . 133 CYS N . 27440 1 458 . 1 1 136 136 LEU H H 1 8.844 0.01 . 1 . . . . . 134 LEU HN . 27440 1 459 . 1 1 136 136 LEU C C 13 174.007 0 . 1 . . . . . 134 LEU C . 27440 1 460 . 1 1 136 136 LEU CA C 13 53.055 0.123 . 1 . . . . . 134 LEU CA . 27440 1 461 . 1 1 136 136 LEU CB C 13 42.672 0.15 . 1 . . . . . 134 LEU CB . 27440 1 462 . 1 1 136 136 LEU N N 15 118.777 0.126 . 1 . . . . . 134 LEU N . 27440 1 463 . 1 1 137 137 PHE H H 1 8.927 0.014 . 1 . . . . . 135 PHE HN . 27440 1 464 . 1 1 137 137 PHE C C 13 172.268 0.041 . 1 . . . . . 135 PHE C . 27440 1 465 . 1 1 137 137 PHE CA C 13 53.513 0.115 . 1 . . . . . 135 PHE CA . 27440 1 466 . 1 1 137 137 PHE CB C 13 42.436 0.112 . 1 . . . . . 135 PHE CB . 27440 1 467 . 1 1 137 137 PHE N N 15 124.891 0.133 . 1 . . . . . 135 PHE N . 27440 1 468 . 1 1 138 138 THR H H 1 8.96 0.008 . 1 . . . . . 136 THR HN . 27440 1 469 . 1 1 138 138 THR C C 13 172.514 0.014 . 1 . . . . . 136 THR C . 27440 1 470 . 1 1 138 138 THR CA C 13 60.169 0.18 . 1 . . . . . 136 THR CA . 27440 1 471 . 1 1 138 138 THR CB C 13 70.839 0.046 . 1 . . . . . 136 THR CB . 27440 1 472 . 1 1 138 138 THR N N 15 118.76 0.12 . 1 . . . . . 136 THR N . 27440 1 473 . 1 1 139 139 ASP H H 1 7.348 0.011 . 1 . . . . . 137 ASP HN . 27440 1 474 . 1 1 139 139 ASP C C 13 175.103 0 . 1 . . . . . 137 ASP C . 27440 1 475 . 1 1 139 139 ASP CA C 13 54.479 0 . 1 . . . . . 137 ASP CA . 27440 1 476 . 1 1 139 139 ASP CB C 13 40.125 0 . 1 . . . . . 137 ASP CB . 27440 1 477 . 1 1 139 139 ASP N N 15 118.643 0.161 . 1 . . . . . 137 ASP N . 27440 1 478 . 1 1 140 140 PHE C C 13 172.651 0 . 1 . . . . . 138 PHE C . 27440 1 479 . 1 1 143 143 GLN H H 1 8.329 0.012 . 1 . . . . . 141 GLN HN . 27440 1 480 . 1 1 143 143 GLN C C 13 175.904 0.007 . 1 . . . . . 141 GLN C . 27440 1 481 . 1 1 143 143 GLN CA C 13 55.752 0.026 . 1 . . . . . 141 GLN CA . 27440 1 482 . 1 1 143 143 GLN CB C 13 27.644 0.136 . 1 . . . . . 141 GLN CB . 27440 1 483 . 1 1 143 143 GLN N N 15 119.129 0.222 . 1 . . . . . 141 GLN N . 27440 1 484 . 1 1 144 144 THR H H 1 7.421 0.008 . 1 . . . . . 142 THR HN . 27440 1 485 . 1 1 144 144 THR C C 13 173.001 0.007 . 1 . . . . . 142 THR C . 27440 1 486 . 1 1 144 144 THR CA C 13 63.492 0.397 . 1 . . . . . 142 THR CA . 27440 1 487 . 1 1 144 144 THR CB C 13 69.437 0.096 . 1 . . . . . 142 THR CB . 27440 1 488 . 1 1 144 144 THR N N 15 119.001 0.192 . 1 . . . . . 142 THR N . 27440 1 489 . 1 1 145 145 ASN H H 1 8.898 0.011 . 1 . . . . . 143 ASN HN . 27440 1 490 . 1 1 145 145 ASN C C 13 175.802 0 . 1 . . . . . 143 ASN C . 27440 1 491 . 1 1 145 145 ASN CA C 13 51.452 0 . 1 . . . . . 143 ASN CA . 27440 1 492 . 1 1 145 145 ASN CB C 13 40.11 0 . 1 . . . . . 143 ASN CB . 27440 1 493 . 1 1 145 145 ASN N N 15 127.064 0.12 . 1 . . . . . 143 ASN N . 27440 1 494 . 1 1 146 146 VAL H H 1 8.579 0.026 . 1 . . . . . 144 VAL HN . 27440 1 495 . 1 1 146 146 VAL C C 13 176.651 0 . 1 . . . . . 144 VAL C . 27440 1 496 . 1 1 146 146 VAL CA C 13 62.056 0.053 . 1 . . . . . 144 VAL CA . 27440 1 497 . 1 1 146 146 VAL CB C 13 31.233 0.302 . 1 . . . . . 144 VAL CB . 27440 1 498 . 1 1 146 146 VAL N N 15 124.012 0.109 . 1 . . . . . 144 VAL N . 27440 1 499 . 1 1 147 147 SER H H 1 8.465 0.011 . 1 . . . . . 145 SER HN . 27440 1 500 . 1 1 147 147 SER C C 13 173.336 0 . 1 . . . . . 145 SER C . 27440 1 501 . 1 1 147 147 SER CA C 13 56.365 0.047 . 1 . . . . . 145 SER CA . 27440 1 502 . 1 1 147 147 SER CB C 13 63.067 0.141 . 1 . . . . . 145 SER CB . 27440 1 503 . 1 1 147 147 SER N N 15 119.16 0.022 . 1 . . . . . 145 SER N . 27440 1 504 . 1 1 148 148 GLN H H 1 8.914 0.009 . 1 . . . . . 146 GLN HN . 27440 1 505 . 1 1 148 148 GLN CA C 13 57.534 0 . 1 . . . . . 146 GLN CA . 27440 1 506 . 1 1 148 148 GLN CB C 13 34.631 0 . 1 . . . . . 146 GLN CB . 27440 1 507 . 1 1 148 148 GLN N N 15 128.496 0.041 . 1 . . . . . 146 GLN N . 27440 1 508 . 1 1 152 152 SER C C 13 173.98 0 . 1 . . . . . 150 SER C . 27440 1 509 . 1 1 152 152 SER CA C 13 59.612 0 . 1 . . . . . 150 SER CA . 27440 1 510 . 1 1 152 152 SER CB C 13 62.578 0 . 1 . . . . . 150 SER CB . 27440 1 511 . 1 1 153 153 ASP H H 1 8.378 0.009 . 1 . . . . . 151 ASP HN . 27440 1 512 . 1 1 153 153 ASP C C 13 174.761 0.014 . 1 . . . . . 151 ASP C . 27440 1 513 . 1 1 153 153 ASP CA C 13 54.091 0.229 . 1 . . . . . 151 ASP CA . 27440 1 514 . 1 1 153 153 ASP CB C 13 40.559 0.174 . 1 . . . . . 151 ASP CB . 27440 1 515 . 1 1 153 153 ASP N N 15 117.692 0.186 . 1 . . . . . 151 ASP N . 27440 1 516 . 1 1 154 154 VAL H H 1 7.275 0.011 . 1 . . . . . 152 VAL HN . 27440 1 517 . 1 1 154 154 VAL C C 13 173.007 0.014 . 1 . . . . . 152 VAL C . 27440 1 518 . 1 1 154 154 VAL CA C 13 61.582 0.051 . 1 . . . . . 152 VAL CA . 27440 1 519 . 1 1 154 154 VAL CB C 13 32.858 0.051 . 1 . . . . . 152 VAL CB . 27440 1 520 . 1 1 154 154 VAL N N 15 123.081 0.202 . 1 . . . . . 152 VAL N . 27440 1 521 . 1 1 155 155 TYR H H 1 8.036 0.011 . 1 . . . . . 153 TYR HN . 27440 1 522 . 1 1 155 155 TYR C C 13 173.213 0 . 1 . . . . . 153 TYR C . 27440 1 523 . 1 1 155 155 TYR CA C 13 56.302 0.143 . 1 . . . . . 153 TYR CA . 27440 1 524 . 1 1 155 155 TYR CB C 13 36.632 0.081 . 1 . . . . . 153 TYR CB . 27440 1 525 . 1 1 155 155 TYR N N 15 129.211 0.198 . 1 . . . . . 153 TYR N . 27440 1 526 . 1 1 156 156 ILE H H 1 7.529 0.035 . 1 . . . . . 154 ILE HN . 27440 1 527 . 1 1 156 156 ILE C C 13 180.253 0 . 1 . . . . . 154 ILE C . 27440 1 528 . 1 1 156 156 ILE CA C 13 60.02 0.001 . 1 . . . . . 154 ILE CA . 27440 1 529 . 1 1 156 156 ILE CB C 13 40.609 0.187 . 1 . . . . . 154 ILE CB . 27440 1 530 . 1 1 156 156 ILE N N 15 119.847 0.278 . 1 . . . . . 154 ILE N . 27440 1 531 . 1 1 157 157 THR H H 1 9.143 0.038 . 1 . . . . . 155 THR HN . 27440 1 532 . 1 1 157 157 THR CA C 13 61.533 0 . 1 . . . . . 155 THR CA . 27440 1 533 . 1 1 157 157 THR CB C 13 72.208 0 . 1 . . . . . 155 THR CB . 27440 1 534 . 1 1 157 157 THR N N 15 119.523 0.147 . 1 . . . . . 155 THR N . 27440 1 535 . 1 1 161 161 VAL C C 13 174.295 0 . 1 . . . . . 159 VAL C . 27440 1 536 . 1 1 161 161 VAL CA C 13 59.808 0 . 1 . . . . . 159 VAL CA . 27440 1 537 . 1 1 161 161 VAL CB C 13 34.689 0 . 1 . . . . . 159 VAL CB . 27440 1 538 . 1 1 162 162 LEU H H 1 9.48 0.012 . 1 . . . . . 160 LEU HN . 27440 1 539 . 1 1 162 162 LEU C C 13 172.651 0 . 1 . . . . . 160 LEU C . 27440 1 540 . 1 1 162 162 LEU CA C 13 52.471 0.241 . 1 . . . . . 160 LEU CA . 27440 1 541 . 1 1 162 162 LEU CB C 13 40.234 0.205 . 1 . . . . . 160 LEU CB . 27440 1 542 . 1 1 162 162 LEU N N 15 120.287 0.219 . 1 . . . . . 160 LEU N . 27440 1 543 . 1 1 163 163 ASP H H 1 9.402 0.013 . 1 . . . . . 161 ASP HN . 27440 1 544 . 1 1 163 163 ASP CA C 13 53.657 0.095 . 1 . . . . . 161 ASP CA . 27440 1 545 . 1 1 163 163 ASP CB C 13 41.262 0.082 . 1 . . . . . 161 ASP CB . 27440 1 546 . 1 1 163 163 ASP N N 15 122.258 0.234 . 1 . . . . . 161 ASP N . 27440 1 547 . 1 1 164 164 MET H H 1 8.39 0.008 . 1 . . . . . 162 MET HN . 27440 1 548 . 1 1 164 164 MET C C 13 175.925 0 . 1 . . . . . 162 MET C . 27440 1 549 . 1 1 164 164 MET CA C 13 52.932 0 . 1 . . . . . 162 MET CA . 27440 1 550 . 1 1 164 164 MET CB C 13 38.468 0 . 1 . . . . . 162 MET CB . 27440 1 551 . 1 1 164 164 MET N N 15 114.877 0 . 1 . . . . . 162 MET N . 27440 1 552 . 1 1 165 165 ARG H H 1 8.319 0.01 . 1 . . . . . 163 ARG HN . 27440 1 553 . 1 1 165 165 ARG C C 13 178.144 0 . 1 . . . . . 163 ARG C . 27440 1 554 . 1 1 165 165 ARG CA C 13 56.383 0.082 . 1 . . . . . 163 ARG CA . 27440 1 555 . 1 1 165 165 ARG CB C 13 32.288 0.014 . 1 . . . . . 163 ARG CB . 27440 1 556 . 1 1 165 165 ARG N N 15 121.61 0.085 . 1 . . . . . 163 ARG N . 27440 1 557 . 1 1 166 166 SER H H 1 8.061 0.009 . 1 . . . . . 164 SER HN . 27440 1 558 . 1 1 166 166 SER CA C 13 57.944 0 . 1 . . . . . 164 SER CA . 27440 1 559 . 1 1 166 166 SER CB C 13 62.749 0 . 1 . . . . . 164 SER CB . 27440 1 560 . 1 1 166 166 SER N N 15 114.642 0.137 . 1 . . . . . 164 SER N . 27440 1 561 . 1 1 169 169 PHE CA C 13 55.253 0 . 1 . . . . . 167 PHE CA . 27440 1 562 . 1 1 169 169 PHE CB C 13 41.673 0 . 1 . . . . . 167 PHE CB . 27440 1 563 . 1 1 170 170 LYS H H 1 9.056 0.011 . 1 . . . . . 168 LYS HN . 27440 1 564 . 1 1 170 170 LYS CA C 13 55.224 0 . 1 . . . . . 168 LYS CA . 27440 1 565 . 1 1 170 170 LYS CB C 13 29.515 0 . 1 . . . . . 168 LYS CB . 27440 1 566 . 1 1 170 170 LYS N N 15 123.635 0.055 . 1 . . . . . 168 LYS N . 27440 1 567 . 1 1 173 173 SER H H 1 8.234 0 . 1 . . . . . 171 SER HN . 27440 1 568 . 1 1 173 173 SER C C 13 172.282 0 . 1 . . . . . 171 SER C . 27440 1 569 . 1 1 173 173 SER CA C 13 57.973 0 . 1 . . . . . 171 SER CA . 27440 1 570 . 1 1 173 173 SER CB C 13 63.945 0 . 1 . . . . . 171 SER CB . 27440 1 571 . 1 1 174 174 ALA H H 1 7.601 0.011 . 1 . . . . . 172 ALA HN . 27440 1 572 . 1 1 174 174 ALA C C 13 173.021 0 . 1 . . . . . 172 ALA C . 27440 1 573 . 1 1 174 174 ALA CA C 13 56.684 0 . 1 . . . . . 172 ALA CA . 27440 1 574 . 1 1 174 174 ALA CB C 13 23.974 0 . 1 . . . . . 172 ALA CB . 27440 1 575 . 1 1 174 174 ALA N N 15 118.407 0.133 . 1 . . . . . 172 ALA N . 27440 1 576 . 1 1 179 179 ASN CA C 13 51.096 0 . 1 . . . . . 177 ASN CA . 27440 1 577 . 1 1 179 179 ASN CB C 13 38.006 0 . 1 . . . . . 177 ASN CB . 27440 1 578 . 1 1 180 180 LYS H H 1 9.007 0.002 . 1 . . . . . 178 LYS HN . 27440 1 579 . 1 1 180 180 LYS CA C 13 58.971 0 . 1 . . . . . 178 LYS CA . 27440 1 580 . 1 1 180 180 LYS CB C 13 31.057 0 . 1 . . . . . 178 LYS CB . 27440 1 581 . 1 1 180 180 LYS N N 15 124.253 0.043 . 1 . . . . . 178 LYS N . 27440 1 582 . 1 1 181 181 SER CA C 13 60.497 0 . 1 . . . . . 179 SER CA . 27440 1 583 . 1 1 181 181 SER CB C 13 62.712 0 . 1 . . . . . 179 SER CB . 27440 1 584 . 1 1 182 182 ASP H H 1 8.331 0.01 . 1 . . . . . 180 ASP HN . 27440 1 585 . 1 1 182 182 ASP C C 13 175.459 0 . 1 . . . . . 180 ASP C . 27440 1 586 . 1 1 182 182 ASP CA C 13 52.77 0.061 . 1 . . . . . 180 ASP CA . 27440 1 587 . 1 1 182 182 ASP CB C 13 39.005 0.064 . 1 . . . . . 180 ASP CB . 27440 1 588 . 1 1 182 182 ASP N N 15 119.082 0.15 . 1 . . . . . 180 ASP N . 27440 1 589 . 1 1 183 183 PHE H H 1 7.292 0.027 . 1 . . . . . 181 PHE HN . 27440 1 590 . 1 1 183 183 PHE C C 13 173.761 0 . 1 . . . . . 181 PHE C . 27440 1 591 . 1 1 183 183 PHE CA C 13 57.897 0.143 . 1 . . . . . 181 PHE CA . 27440 1 592 . 1 1 183 183 PHE CB C 13 39.219 0.151 . 1 . . . . . 181 PHE CB . 27440 1 593 . 1 1 183 183 PHE N N 15 121.879 0.22 . 1 . . . . . 181 PHE N . 27440 1 594 . 1 1 184 184 ALA H H 1 7.573 0.021 . 1 . . . . . 182 ALA HN . 27440 1 595 . 1 1 184 184 ALA C C 13 176.966 0 . 1 . . . . . 182 ALA C . 27440 1 596 . 1 1 184 184 ALA CA C 13 49.76 0 . 1 . . . . . 182 ALA CA . 27440 1 597 . 1 1 184 184 ALA CB C 13 20.056 0 . 1 . . . . . 182 ALA CB . 27440 1 598 . 1 1 184 184 ALA N N 15 130.803 0.262 . 1 . . . . . 182 ALA N . 27440 1 599 . 1 1 191 191 ASN CA C 13 53.532 0 . 1 . . . . . 189 ASN CA . 27440 1 600 . 1 1 191 191 ASN CB C 13 38.385 0 . 1 . . . . . 189 ASN CB . 27440 1 601 . 1 1 192 192 SER H H 1 8.102 0.015 . 1 . . . . . 190 SER HN . 27440 1 602 . 1 1 192 192 SER CA C 13 58.849 0 . 1 . . . . . 190 SER CA . 27440 1 603 . 1 1 192 192 SER CB C 13 64.054 0 . 1 . . . . . 190 SER CB . 27440 1 604 . 1 1 192 192 SER N N 15 116.511 0.439 . 1 . . . . . 190 SER N . 27440 1 605 . 1 1 193 193 ILE C C 13 175.802 0 . 1 . . . . . 191 ILE C . 27440 1 606 . 1 1 193 193 ILE CA C 13 60.465 0 . 1 . . . . . 191 ILE CA . 27440 1 607 . 1 1 193 193 ILE CB C 13 37.974 0 . 1 . . . . . 191 ILE CB . 27440 1 608 . 1 1 194 194 ILE H H 1 8.168 0.014 . 1 . . . . . 192 ILE HN . 27440 1 609 . 1 1 194 194 ILE C C 13 174.459 0 . 1 . . . . . 192 ILE C . 27440 1 610 . 1 1 194 194 ILE CA C 13 58.036 0 . 1 . . . . . 192 ILE CA . 27440 1 611 . 1 1 194 194 ILE CB C 13 37.48 0 . 1 . . . . . 192 ILE CB . 27440 1 612 . 1 1 194 194 ILE N N 15 127.368 0.224 . 1 . . . . . 192 ILE N . 27440 1 613 . 1 1 203 203 PRO C C 13 177.24 0 . 1 . . . . . 201 PRO C . 27440 1 614 . 1 1 203 203 PRO CA C 13 63.232 0 . 1 . . . . . 201 PRO CA . 27440 1 615 . 1 1 203 203 PRO CB C 13 31.345 0 . 1 . . . . . 201 PRO CB . 27440 1 616 . 1 1 204 204 GLU H H 1 8.436 0.009 . 1 . . . . . 202 GLU HN . 27440 1 617 . 1 1 204 204 GLU C C 13 176.583 0.028 . 1 . . . . . 202 GLU C . 27440 1 618 . 1 1 204 204 GLU CA C 13 56.54 0.115 . 1 . . . . . 202 GLU CA . 27440 1 619 . 1 1 204 204 GLU CB C 13 29.19 0.148 . 1 . . . . . 202 GLU CB . 27440 1 620 . 1 1 204 204 GLU N N 15 120.935 0.244 . 1 . . . . . 202 GLU N . 27440 1 621 . 1 1 205 205 SER H H 1 8.242 0.01 . 1 . . . . . 203 SER HN . 27440 1 622 . 1 1 205 205 SER C C 13 173.72 0.014 . 1 . . . . . 203 SER C . 27440 1 623 . 1 1 205 205 SER CA C 13 57.945 0.082 . 1 . . . . . 203 SER CA . 27440 1 624 . 1 1 205 205 SER CB C 13 63.835 0 . 1 . . . . . 203 SER CB . 27440 1 625 . 1 1 205 205 SER N N 15 117.444 0.135 . 1 . . . . . 203 SER N . 27440 1 626 . 1 1 206 206 SER H H 1 7.967 0.01 . 1 . . . . . 204 SER HN . 27440 1 627 . 1 1 206 206 SER C C 13 178.856 0 . 1 . . . . . 204 SER C . 27440 1 628 . 1 1 206 206 SER CA C 13 60.246 0 . 1 . . . . . 204 SER CA . 27440 1 629 . 1 1 206 206 SER CB C 13 63.986 0.424 . 1 . . . . . 204 SER CB . 27440 1 630 . 1 1 206 206 SER N N 15 123.805 0.13 . 1 . . . . . 204 SER N . 27440 1 stop_ save_