data_18308 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18308 _Entry.Title ; Backbone amide assignments of HLA-DR1/CLIP complexes ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-01 _Entry.Accession_date 2012-03-01 _Entry.Last_release_date 2012-03-01 _Entry.Original_release_date 2012-03-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 . _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 Andreas Schlundt . . . . 18308 2 Sebastian Guenther . . . . 18308 3 Jana Sticht . . . . 18308 4 Marek Wieczorek . . . . 18308 5 Yvette Roske . . . . 18308 6 Udo Heinemann . . . . 18308 7 Christian Freund . . . . 18308 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18308 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 157 18308 '1H chemical shifts' 157 18308 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 . . 2019-09-13 . original BMRB . 18308 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18285 'HLA-DR1 CLIP102-120canonical' 18308 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18308 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22820093 _Citation.Full_citation . _Citation.Title ; Peptide linkage to the alpha-subunit of MHCII creates a stably inverted antigen presentation complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 423 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 294 _Citation.Page_last 302 _Citation.Year 2012 _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 Andreas Schlundt . . . . 18308 1 2 Sebastian Guenther . . . . 18308 1 3 Jana Sticht . . . . 18308 1 4 Marek Wieczorek . . . . 18308 1 5 Yvette Roske . . . . 18308 1 6 Udo Heinemann . . . . 18308 1 7 Christian Freund . . . . 18308 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 18308 _Assembly.ID 1 _Assembly.Name HLA-DR1/CLIP106-120flipped _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 HLA-DR1_alpha_subunit 1 $HLA-DR1_alpha_subunit A . no native no no . . . 18308 1 2 HLA-DR1_beta_subunit 2 $HLA-DR1_beta_subunit B . yes native no no . . . 18308 1 3 CLIP106-120 3 $CLIP106-120flipped C . no native no no . . . 18308 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 108 108 SG . 1 . 1 CYS 164 164 SG . . . 107 CYS SG . . . 163 CYS SG 18308 1 2 disulfide single . 2 . 2 CYS 16 16 SG . 2 . 2 CYS 80 80 SG . . . 15 CYS SG . . . 79 CYS SG 18308 1 3 disulfide single . 2 . 2 CYS 118 118 SG . 2 . 2 CYS 174 174 SG . . . 117 CYS SG . . . 173 CYS SG 18308 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3PGC . . . . . . 18308 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HLA-DR1_alpha_subunit _Entity.Sf_category entity _Entity.Sf_framecode HLA-DR1_alpha_subunit _Entity.Entry_ID 18308 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HLA-DR1_alpha_subunit _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 ; MIKEEHVIIQAEFYLNPDQS GEFMFDFDGDEIFHVDMAKK ETVWRLEEFGRFASFEAQGA LANIAVDKANLEIMTKRSNY TPITNVPPEVTVLTNSPVEL REPNVLICFIDKFTPPVVNV TWLRNGKPVTTGVSETVFLP REDHLFRKFHYLPFLPSTED VYDCRVEHWGLDEPLLKHWE FDAPSPLPETTEN ; _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 193 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and 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 0 MET . 18308 1 2 1 ILE . 18308 1 3 2 LYS . 18308 1 4 3 GLU . 18308 1 5 4 GLU . 18308 1 6 5 HIS . 18308 1 7 6 VAL . 18308 1 8 7 ILE . 18308 1 9 8 ILE . 18308 1 10 9 GLN . 18308 1 11 10 ALA . 18308 1 12 11 GLU . 18308 1 13 12 PHE . 18308 1 14 13 TYR . 18308 1 15 14 LEU . 18308 1 16 15 ASN . 18308 1 17 16 PRO . 18308 1 18 17 ASP . 18308 1 19 18 GLN . 18308 1 20 19 SER . 18308 1 21 20 GLY . 18308 1 22 21 GLU . 18308 1 23 22 PHE . 18308 1 24 23 MET . 18308 1 25 24 PHE . 18308 1 26 25 ASP . 18308 1 27 26 PHE . 18308 1 28 27 ASP . 18308 1 29 28 GLY . 18308 1 30 29 ASP . 18308 1 31 30 GLU . 18308 1 32 31 ILE . 18308 1 33 32 PHE . 18308 1 34 33 HIS . 18308 1 35 34 VAL . 18308 1 36 35 ASP . 18308 1 37 36 MET . 18308 1 38 37 ALA . 18308 1 39 38 LYS . 18308 1 40 39 LYS . 18308 1 41 40 GLU . 18308 1 42 41 THR . 18308 1 43 42 VAL . 18308 1 44 43 TRP . 18308 1 45 44 ARG . 18308 1 46 45 LEU . 18308 1 47 46 GLU . 18308 1 48 47 GLU . 18308 1 49 48 PHE . 18308 1 50 49 GLY . 18308 1 51 50 ARG . 18308 1 52 51 PHE . 18308 1 53 52 ALA . 18308 1 54 53 SER . 18308 1 55 54 PHE . 18308 1 56 55 GLU . 18308 1 57 56 ALA . 18308 1 58 57 GLN . 18308 1 59 58 GLY . 18308 1 60 59 ALA . 18308 1 61 60 LEU . 18308 1 62 61 ALA . 18308 1 63 62 ASN . 18308 1 64 63 ILE . 18308 1 65 64 ALA . 18308 1 66 65 VAL . 18308 1 67 66 ASP . 18308 1 68 67 LYS . 18308 1 69 68 ALA . 18308 1 70 69 ASN . 18308 1 71 70 LEU . 18308 1 72 71 GLU . 18308 1 73 72 ILE . 18308 1 74 73 MET . 18308 1 75 74 THR . 18308 1 76 75 LYS . 18308 1 77 76 ARG . 18308 1 78 77 SER . 18308 1 79 78 ASN . 18308 1 80 79 TYR . 18308 1 81 80 THR . 18308 1 82 81 PRO . 18308 1 83 82 ILE . 18308 1 84 83 THR . 18308 1 85 84 ASN . 18308 1 86 85 VAL . 18308 1 87 86 PRO . 18308 1 88 87 PRO . 18308 1 89 88 GLU . 18308 1 90 89 VAL . 18308 1 91 90 THR . 18308 1 92 91 VAL . 18308 1 93 92 LEU . 18308 1 94 93 THR . 18308 1 95 94 ASN . 18308 1 96 95 SER . 18308 1 97 96 PRO . 18308 1 98 97 VAL . 18308 1 99 98 GLU . 18308 1 100 99 LEU . 18308 1 101 100 ARG . 18308 1 102 101 GLU . 18308 1 103 102 PRO . 18308 1 104 103 ASN . 18308 1 105 104 VAL . 18308 1 106 105 LEU . 18308 1 107 106 ILE . 18308 1 108 107 CYS . 18308 1 109 108 PHE . 18308 1 110 109 ILE . 18308 1 111 110 ASP . 18308 1 112 111 LYS . 18308 1 113 112 PHE . 18308 1 114 113 THR . 18308 1 115 114 PRO . 18308 1 116 115 PRO . 18308 1 117 116 VAL . 18308 1 118 117 VAL . 18308 1 119 118 ASN . 18308 1 120 119 VAL . 18308 1 121 120 THR . 18308 1 122 121 TRP . 18308 1 123 122 LEU . 18308 1 124 123 ARG . 18308 1 125 124 ASN . 18308 1 126 125 GLY . 18308 1 127 126 LYS . 18308 1 128 127 PRO . 18308 1 129 128 VAL . 18308 1 130 129 THR . 18308 1 131 130 THR . 18308 1 132 131 GLY . 18308 1 133 132 VAL . 18308 1 134 133 SER . 18308 1 135 134 GLU . 18308 1 136 135 THR . 18308 1 137 136 VAL . 18308 1 138 137 PHE . 18308 1 139 138 LEU . 18308 1 140 139 PRO . 18308 1 141 140 ARG . 18308 1 142 141 GLU . 18308 1 143 142 ASP . 18308 1 144 143 HIS . 18308 1 145 144 LEU . 18308 1 146 145 PHE . 18308 1 147 146 ARG . 18308 1 148 147 LYS . 18308 1 149 148 PHE . 18308 1 150 149 HIS . 18308 1 151 150 TYR . 18308 1 152 151 LEU . 18308 1 153 152 PRO . 18308 1 154 153 PHE . 18308 1 155 154 LEU . 18308 1 156 155 PRO . 18308 1 157 156 SER . 18308 1 158 157 THR . 18308 1 159 158 GLU . 18308 1 160 159 ASP . 18308 1 161 160 VAL . 18308 1 162 161 TYR . 18308 1 163 162 ASP . 18308 1 164 163 CYS . 18308 1 165 164 ARG . 18308 1 166 165 VAL . 18308 1 167 166 GLU . 18308 1 168 167 HIS . 18308 1 169 168 TRP . 18308 1 170 169 GLY . 18308 1 171 170 LEU . 18308 1 172 171 ASP . 18308 1 173 172 GLU . 18308 1 174 173 PRO . 18308 1 175 174 LEU . 18308 1 176 175 LEU . 18308 1 177 176 LYS . 18308 1 178 177 HIS . 18308 1 179 178 TRP . 18308 1 180 179 GLU . 18308 1 181 180 PHE . 18308 1 182 181 ASP . 18308 1 183 182 ALA . 18308 1 184 183 PRO . 18308 1 185 184 SER . 18308 1 186 185 PRO . 18308 1 187 186 LEU . 18308 1 188 187 PRO . 18308 1 189 188 GLU . 18308 1 190 189 THR . 18308 1 191 190 THR . 18308 1 192 191 GLU . 18308 1 193 192 ASN . 18308 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 18308 1 . ILE 2 2 18308 1 . LYS 3 3 18308 1 . GLU 4 4 18308 1 . GLU 5 5 18308 1 . HIS 6 6 18308 1 . VAL 7 7 18308 1 . ILE 8 8 18308 1 . ILE 9 9 18308 1 . GLN 10 10 18308 1 . ALA 11 11 18308 1 . GLU 12 12 18308 1 . PHE 13 13 18308 1 . TYR 14 14 18308 1 . LEU 15 15 18308 1 . ASN 16 16 18308 1 . PRO 17 17 18308 1 . ASP 18 18 18308 1 . GLN 19 19 18308 1 . SER 20 20 18308 1 . GLY 21 21 18308 1 . GLU 22 22 18308 1 . PHE 23 23 18308 1 . MET 24 24 18308 1 . PHE 25 25 18308 1 . ASP 26 26 18308 1 . PHE 27 27 18308 1 . ASP 28 28 18308 1 . GLY 29 29 18308 1 . ASP 30 30 18308 1 . GLU 31 31 18308 1 . ILE 32 32 18308 1 . PHE 33 33 18308 1 . HIS 34 34 18308 1 . VAL 35 35 18308 1 . ASP 36 36 18308 1 . MET 37 37 18308 1 . ALA 38 38 18308 1 . LYS 39 39 18308 1 . LYS 40 40 18308 1 . GLU 41 41 18308 1 . THR 42 42 18308 1 . VAL 43 43 18308 1 . TRP 44 44 18308 1 . ARG 45 45 18308 1 . LEU 46 46 18308 1 . GLU 47 47 18308 1 . GLU 48 48 18308 1 . PHE 49 49 18308 1 . GLY 50 50 18308 1 . ARG 51 51 18308 1 . PHE 52 52 18308 1 . ALA 53 53 18308 1 . SER 54 54 18308 1 . PHE 55 55 18308 1 . GLU 56 56 18308 1 . ALA 57 57 18308 1 . GLN 58 58 18308 1 . GLY 59 59 18308 1 . ALA 60 60 18308 1 . LEU 61 61 18308 1 . ALA 62 62 18308 1 . ASN 63 63 18308 1 . ILE 64 64 18308 1 . ALA 65 65 18308 1 . VAL 66 66 18308 1 . ASP 67 67 18308 1 . LYS 68 68 18308 1 . ALA 69 69 18308 1 . ASN 70 70 18308 1 . LEU 71 71 18308 1 . GLU 72 72 18308 1 . ILE 73 73 18308 1 . MET 74 74 18308 1 . THR 75 75 18308 1 . LYS 76 76 18308 1 . ARG 77 77 18308 1 . SER 78 78 18308 1 . ASN 79 79 18308 1 . TYR 80 80 18308 1 . THR 81 81 18308 1 . PRO 82 82 18308 1 . ILE 83 83 18308 1 . THR 84 84 18308 1 . ASN 85 85 18308 1 . VAL 86 86 18308 1 . PRO 87 87 18308 1 . PRO 88 88 18308 1 . GLU 89 89 18308 1 . VAL 90 90 18308 1 . THR 91 91 18308 1 . VAL 92 92 18308 1 . LEU 93 93 18308 1 . THR 94 94 18308 1 . ASN 95 95 18308 1 . SER 96 96 18308 1 . PRO 97 97 18308 1 . VAL 98 98 18308 1 . GLU 99 99 18308 1 . LEU 100 100 18308 1 . ARG 101 101 18308 1 . GLU 102 102 18308 1 . PRO 103 103 18308 1 . ASN 104 104 18308 1 . VAL 105 105 18308 1 . LEU 106 106 18308 1 . ILE 107 107 18308 1 . CYS 108 108 18308 1 . PHE 109 109 18308 1 . ILE 110 110 18308 1 . ASP 111 111 18308 1 . LYS 112 112 18308 1 . PHE 113 113 18308 1 . THR 114 114 18308 1 . PRO 115 115 18308 1 . PRO 116 116 18308 1 . VAL 117 117 18308 1 . VAL 118 118 18308 1 . ASN 119 119 18308 1 . VAL 120 120 18308 1 . THR 121 121 18308 1 . TRP 122 122 18308 1 . LEU 123 123 18308 1 . ARG 124 124 18308 1 . ASN 125 125 18308 1 . GLY 126 126 18308 1 . LYS 127 127 18308 1 . PRO 128 128 18308 1 . VAL 129 129 18308 1 . THR 130 130 18308 1 . THR 131 131 18308 1 . GLY 132 132 18308 1 . VAL 133 133 18308 1 . SER 134 134 18308 1 . GLU 135 135 18308 1 . THR 136 136 18308 1 . VAL 137 137 18308 1 . PHE 138 138 18308 1 . LEU 139 139 18308 1 . PRO 140 140 18308 1 . ARG 141 141 18308 1 . GLU 142 142 18308 1 . ASP 143 143 18308 1 . HIS 144 144 18308 1 . LEU 145 145 18308 1 . PHE 146 146 18308 1 . ARG 147 147 18308 1 . LYS 148 148 18308 1 . PHE 149 149 18308 1 . HIS 150 150 18308 1 . TYR 151 151 18308 1 . LEU 152 152 18308 1 . PRO 153 153 18308 1 . PHE 154 154 18308 1 . LEU 155 155 18308 1 . PRO 156 156 18308 1 . SER 157 157 18308 1 . THR 158 158 18308 1 . GLU 159 159 18308 1 . ASP 160 160 18308 1 . VAL 161 161 18308 1 . TYR 162 162 18308 1 . ASP 163 163 18308 1 . CYS 164 164 18308 1 . ARG 165 165 18308 1 . VAL 166 166 18308 1 . GLU 167 167 18308 1 . HIS 168 168 18308 1 . TRP 169 169 18308 1 . GLY 170 170 18308 1 . LEU 171 171 18308 1 . ASP 172 172 18308 1 . GLU 173 173 18308 1 . PRO 174 174 18308 1 . LEU 175 175 18308 1 . LEU 176 176 18308 1 . LYS 177 177 18308 1 . HIS 178 178 18308 1 . TRP 179 179 18308 1 . GLU 180 180 18308 1 . PHE 181 181 18308 1 . ASP 182 182 18308 1 . ALA 183 183 18308 1 . PRO 184 184 18308 1 . SER 185 185 18308 1 . PRO 186 186 18308 1 . LEU 187 187 18308 1 . PRO 188 188 18308 1 . GLU 189 189 18308 1 . THR 190 190 18308 1 . THR 191 191 18308 1 . GLU 192 192 18308 1 . ASN 193 193 18308 1 stop_ save_ save_HLA-DR1_beta_subunit _Entity.Sf_category entity _Entity.Sf_framecode HLA-DR1_beta_subunit _Entity.Entry_ID 18308 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name HLA-DR1_beta_subunit _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 ; MGDTRPRFLWQLKFECHFFN GTERVRLLERCIYNQEESVR FDSDVGEYRAVTELGRPDAE YWNSQKDLLEQRRAAVDTYC RHNYGVGESFTVQRRVEPKV TVYPSKTQPLQHHNLLVCSV SGFYPGSIEVRWFRNGQEEK AGVVSTGLIQNGDWTFQTLV MLETVPRSGEVYTCQVEHPS VTSPLTVEWRARSESAQSK ; _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 199 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and 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 0 MET . 18308 2 2 1 GLY . 18308 2 3 2 ASP . 18308 2 4 3 THR . 18308 2 5 4 ARG . 18308 2 6 5 PRO . 18308 2 7 6 ARG . 18308 2 8 7 PHE . 18308 2 9 8 LEU . 18308 2 10 9 TRP . 18308 2 11 10 GLN . 18308 2 12 11 LEU . 18308 2 13 12 LYS . 18308 2 14 13 PHE . 18308 2 15 14 GLU . 18308 2 16 15 CYS . 18308 2 17 16 HIS . 18308 2 18 17 PHE . 18308 2 19 18 PHE . 18308 2 20 19 ASN . 18308 2 21 20 GLY . 18308 2 22 21 THR . 18308 2 23 22 GLU . 18308 2 24 23 ARG . 18308 2 25 24 VAL . 18308 2 26 25 ARG . 18308 2 27 26 LEU . 18308 2 28 27 LEU . 18308 2 29 28 GLU . 18308 2 30 29 ARG . 18308 2 31 30 CYS . 18308 2 32 31 ILE . 18308 2 33 32 TYR . 18308 2 34 33 ASN . 18308 2 35 34 GLN . 18308 2 36 35 GLU . 18308 2 37 36 GLU . 18308 2 38 37 SER . 18308 2 39 38 VAL . 18308 2 40 39 ARG . 18308 2 41 40 PHE . 18308 2 42 41 ASP . 18308 2 43 42 SER . 18308 2 44 43 ASP . 18308 2 45 44 VAL . 18308 2 46 45 GLY . 18308 2 47 46 GLU . 18308 2 48 47 TYR . 18308 2 49 48 ARG . 18308 2 50 49 ALA . 18308 2 51 50 VAL . 18308 2 52 51 THR . 18308 2 53 52 GLU . 18308 2 54 53 LEU . 18308 2 55 54 GLY . 18308 2 56 55 ARG . 18308 2 57 56 PRO . 18308 2 58 57 ASP . 18308 2 59 58 ALA . 18308 2 60 59 GLU . 18308 2 61 60 TYR . 18308 2 62 61 TRP . 18308 2 63 62 ASN . 18308 2 64 63 SER . 18308 2 65 64 GLN . 18308 2 66 65 LYS . 18308 2 67 66 ASP . 18308 2 68 67 LEU . 18308 2 69 68 LEU . 18308 2 70 69 GLU . 18308 2 71 70 GLN . 18308 2 72 71 ARG . 18308 2 73 72 ARG . 18308 2 74 73 ALA . 18308 2 75 74 ALA . 18308 2 76 75 VAL . 18308 2 77 76 ASP . 18308 2 78 77 THR . 18308 2 79 78 TYR . 18308 2 80 79 CYS . 18308 2 81 80 ARG . 18308 2 82 81 HIS . 18308 2 83 82 ASN . 18308 2 84 83 TYR . 18308 2 85 84 GLY . 18308 2 86 85 VAL . 18308 2 87 86 GLY . 18308 2 88 87 GLU . 18308 2 89 88 SER . 18308 2 90 89 PHE . 18308 2 91 90 THR . 18308 2 92 91 VAL . 18308 2 93 92 GLN . 18308 2 94 93 ARG . 18308 2 95 94 ARG . 18308 2 96 95 VAL . 18308 2 97 96 GLU . 18308 2 98 97 PRO . 18308 2 99 98 LYS . 18308 2 100 99 VAL . 18308 2 101 100 THR . 18308 2 102 101 VAL . 18308 2 103 102 TYR . 18308 2 104 103 PRO . 18308 2 105 104 SER . 18308 2 106 105 LYS . 18308 2 107 106 THR . 18308 2 108 107 GLN . 18308 2 109 108 PRO . 18308 2 110 109 LEU . 18308 2 111 110 GLN . 18308 2 112 111 HIS . 18308 2 113 112 HIS . 18308 2 114 113 ASN . 18308 2 115 114 LEU . 18308 2 116 115 LEU . 18308 2 117 116 VAL . 18308 2 118 117 CYS . 18308 2 119 118 SER . 18308 2 120 119 VAL . 18308 2 121 120 SER . 18308 2 122 121 GLY . 18308 2 123 122 PHE . 18308 2 124 123 TYR . 18308 2 125 124 PRO . 18308 2 126 125 GLY . 18308 2 127 126 SER . 18308 2 128 127 ILE . 18308 2 129 128 GLU . 18308 2 130 129 VAL . 18308 2 131 130 ARG . 18308 2 132 131 TRP . 18308 2 133 132 PHE . 18308 2 134 133 ARG . 18308 2 135 134 ASN . 18308 2 136 135 GLY . 18308 2 137 136 GLN . 18308 2 138 137 GLU . 18308 2 139 138 GLU . 18308 2 140 139 LYS . 18308 2 141 140 ALA . 18308 2 142 141 GLY . 18308 2 143 142 VAL . 18308 2 144 143 VAL . 18308 2 145 144 SER . 18308 2 146 145 THR . 18308 2 147 146 GLY . 18308 2 148 147 LEU . 18308 2 149 148 ILE . 18308 2 150 149 GLN . 18308 2 151 150 ASN . 18308 2 152 151 GLY . 18308 2 153 152 ASP . 18308 2 154 153 TRP . 18308 2 155 154 THR . 18308 2 156 155 PHE . 18308 2 157 156 GLN . 18308 2 158 157 THR . 18308 2 159 158 LEU . 18308 2 160 159 VAL . 18308 2 161 160 MET . 18308 2 162 161 LEU . 18308 2 163 162 GLU . 18308 2 164 163 THR . 18308 2 165 164 VAL . 18308 2 166 165 PRO . 18308 2 167 166 ARG . 18308 2 168 167 SER . 18308 2 169 168 GLY . 18308 2 170 169 GLU . 18308 2 171 170 VAL . 18308 2 172 171 TYR . 18308 2 173 172 THR . 18308 2 174 173 CYS . 18308 2 175 174 GLN . 18308 2 176 175 VAL . 18308 2 177 176 GLU . 18308 2 178 177 HIS . 18308 2 179 178 PRO . 18308 2 180 179 SER . 18308 2 181 180 VAL . 18308 2 182 181 THR . 18308 2 183 182 SER . 18308 2 184 183 PRO . 18308 2 185 184 LEU . 18308 2 186 185 THR . 18308 2 187 186 VAL . 18308 2 188 187 GLU . 18308 2 189 188 TRP . 18308 2 190 189 ARG . 18308 2 191 190 ALA . 18308 2 192 191 ARG . 18308 2 193 192 SER . 18308 2 194 193 GLU . 18308 2 195 194 SER . 18308 2 196 195 ALA . 18308 2 197 196 GLN . 18308 2 198 197 SER . 18308 2 199 198 LYS . 18308 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 . MET 1 1 18308 2 . GLY 2 2 18308 2 . ASP 3 3 18308 2 . THR 4 4 18308 2 . ARG 5 5 18308 2 . PRO 6 6 18308 2 . ARG 7 7 18308 2 . PHE 8 8 18308 2 . LEU 9 9 18308 2 . TRP 10 10 18308 2 . GLN 11 11 18308 2 . LEU 12 12 18308 2 . LYS 13 13 18308 2 . PHE 14 14 18308 2 . GLU 15 15 18308 2 . CYS 16 16 18308 2 . HIS 17 17 18308 2 . PHE 18 18 18308 2 . PHE 19 19 18308 2 . ASN 20 20 18308 2 . GLY 21 21 18308 2 . THR 22 22 18308 2 . GLU 23 23 18308 2 . ARG 24 24 18308 2 . VAL 25 25 18308 2 . ARG 26 26 18308 2 . LEU 27 27 18308 2 . LEU 28 28 18308 2 . GLU 29 29 18308 2 . ARG 30 30 18308 2 . CYS 31 31 18308 2 . ILE 32 32 18308 2 . TYR 33 33 18308 2 . ASN 34 34 18308 2 . GLN 35 35 18308 2 . GLU 36 36 18308 2 . GLU 37 37 18308 2 . SER 38 38 18308 2 . VAL 39 39 18308 2 . ARG 40 40 18308 2 . PHE 41 41 18308 2 . ASP 42 42 18308 2 . SER 43 43 18308 2 . ASP 44 44 18308 2 . VAL 45 45 18308 2 . GLY 46 46 18308 2 . GLU 47 47 18308 2 . TYR 48 48 18308 2 . ARG 49 49 18308 2 . ALA 50 50 18308 2 . VAL 51 51 18308 2 . THR 52 52 18308 2 . GLU 53 53 18308 2 . LEU 54 54 18308 2 . GLY 55 55 18308 2 . ARG 56 56 18308 2 . PRO 57 57 18308 2 . ASP 58 58 18308 2 . ALA 59 59 18308 2 . GLU 60 60 18308 2 . TYR 61 61 18308 2 . TRP 62 62 18308 2 . ASN 63 63 18308 2 . SER 64 64 18308 2 . GLN 65 65 18308 2 . LYS 66 66 18308 2 . ASP 67 67 18308 2 . LEU 68 68 18308 2 . LEU 69 69 18308 2 . GLU 70 70 18308 2 . GLN 71 71 18308 2 . ARG 72 72 18308 2 . ARG 73 73 18308 2 . ALA 74 74 18308 2 . ALA 75 75 18308 2 . VAL 76 76 18308 2 . ASP 77 77 18308 2 . THR 78 78 18308 2 . TYR 79 79 18308 2 . CYS 80 80 18308 2 . ARG 81 81 18308 2 . HIS 82 82 18308 2 . ASN 83 83 18308 2 . TYR 84 84 18308 2 . GLY 85 85 18308 2 . VAL 86 86 18308 2 . GLY 87 87 18308 2 . GLU 88 88 18308 2 . SER 89 89 18308 2 . PHE 90 90 18308 2 . THR 91 91 18308 2 . VAL 92 92 18308 2 . GLN 93 93 18308 2 . ARG 94 94 18308 2 . ARG 95 95 18308 2 . VAL 96 96 18308 2 . GLU 97 97 18308 2 . PRO 98 98 18308 2 . LYS 99 99 18308 2 . VAL 100 100 18308 2 . THR 101 101 18308 2 . VAL 102 102 18308 2 . TYR 103 103 18308 2 . PRO 104 104 18308 2 . SER 105 105 18308 2 . LYS 106 106 18308 2 . THR 107 107 18308 2 . GLN 108 108 18308 2 . PRO 109 109 18308 2 . LEU 110 110 18308 2 . GLN 111 111 18308 2 . HIS 112 112 18308 2 . HIS 113 113 18308 2 . ASN 114 114 18308 2 . LEU 115 115 18308 2 . LEU 116 116 18308 2 . VAL 117 117 18308 2 . CYS 118 118 18308 2 . SER 119 119 18308 2 . VAL 120 120 18308 2 . SER 121 121 18308 2 . GLY 122 122 18308 2 . PHE 123 123 18308 2 . TYR 124 124 18308 2 . PRO 125 125 18308 2 . GLY 126 126 18308 2 . SER 127 127 18308 2 . ILE 128 128 18308 2 . GLU 129 129 18308 2 . VAL 130 130 18308 2 . ARG 131 131 18308 2 . TRP 132 132 18308 2 . PHE 133 133 18308 2 . ARG 134 134 18308 2 . ASN 135 135 18308 2 . GLY 136 136 18308 2 . GLN 137 137 18308 2 . GLU 138 138 18308 2 . GLU 139 139 18308 2 . LYS 140 140 18308 2 . ALA 141 141 18308 2 . GLY 142 142 18308 2 . VAL 143 143 18308 2 . VAL 144 144 18308 2 . SER 145 145 18308 2 . THR 146 146 18308 2 . GLY 147 147 18308 2 . LEU 148 148 18308 2 . ILE 149 149 18308 2 . GLN 150 150 18308 2 . ASN 151 151 18308 2 . GLY 152 152 18308 2 . ASP 153 153 18308 2 . TRP 154 154 18308 2 . THR 155 155 18308 2 . PHE 156 156 18308 2 . GLN 157 157 18308 2 . THR 158 158 18308 2 . LEU 159 159 18308 2 . VAL 160 160 18308 2 . MET 161 161 18308 2 . LEU 162 162 18308 2 . GLU 163 163 18308 2 . THR 164 164 18308 2 . VAL 165 165 18308 2 . PRO 166 166 18308 2 . ARG 167 167 18308 2 . SER 168 168 18308 2 . GLY 169 169 18308 2 . GLU 170 170 18308 2 . VAL 171 171 18308 2 . TYR 172 172 18308 2 . THR 173 173 18308 2 . CYS 174 174 18308 2 . GLN 175 175 18308 2 . VAL 176 176 18308 2 . GLU 177 177 18308 2 . HIS 178 178 18308 2 . PRO 179 179 18308 2 . SER 180 180 18308 2 . VAL 181 181 18308 2 . THR 182 182 18308 2 . SER 183 183 18308 2 . PRO 184 184 18308 2 . LEU 185 185 18308 2 . THR 186 186 18308 2 . VAL 187 187 18308 2 . GLU 188 188 18308 2 . TRP 189 189 18308 2 . ARG 190 190 18308 2 . ALA 191 191 18308 2 . ARG 192 192 18308 2 . SER 193 193 18308 2 . GLU 194 194 18308 2 . SER 195 195 18308 2 . ALA 196 196 18308 2 . GLN 197 197 18308 2 . SER 198 198 18308 2 . LYS 199 199 18308 2 stop_ save_ save_CLIP106-120flipped _Entity.Sf_category entity _Entity.Sf_framecode CLIP106-120flipped _Entity.Entry_ID 18308 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CLIP106-120flipped _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 ; KMRMATPLLMQALPM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'class II-associated invariant chain-derived peptide' _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 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 106 LYS . 18308 3 2 107 MET . 18308 3 3 108 ARG . 18308 3 4 109 MET . 18308 3 5 110 ALA . 18308 3 6 111 THR . 18308 3 7 112 PRO . 18308 3 8 113 LEU . 18308 3 9 114 LEU . 18308 3 10 115 MET . 18308 3 11 116 GLN . 18308 3 12 117 ALA . 18308 3 13 118 LEU . 18308 3 14 119 PRO . 18308 3 15 120 MET . 18308 3 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 . LYS 1 1 18308 3 . MET 2 2 18308 3 . ARG 3 3 18308 3 . MET 4 4 18308 3 . ALA 5 5 18308 3 . THR 6 6 18308 3 . PRO 7 7 18308 3 . LEU 8 8 18308 3 . LEU 9 9 18308 3 . MET 10 10 18308 3 . GLN 11 11 18308 3 . ALA 12 12 18308 3 . LEU 13 13 18308 3 . PRO 14 14 18308 3 . MET 15 15 18308 3 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 18308 _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 $HLA-DR1_alpha_subunit . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 18308 1 2 2 $HLA-DR1_beta_subunit . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 18308 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 18308 _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 $HLA-DR1_alpha_subunit . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET system' . . . 18308 1 2 2 $HLA-DR1_beta_subunit . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET system' . . . 18308 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_DRbeta_CLIP106-120 _Sample.Sf_category sample _Sample.Sf_framecode Sample_DRbeta_CLIP106-120 _Sample.Entry_ID 18308 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'co-refolded peptide and protein, incubated one week at 37 C for full flipping of peptide' _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 HLA-DR1_alpha_subunit 'natural abundance' . . 1 $HLA-DR1_alpha_subunit . . 280-360 . . uM . . . . 18308 1 2 HLA-DR1_beta_subunit '[U-13C; U-15N; U-2H]' . . 2 $HLA-DR1_beta_subunit . . 280-360 . . uM . . . . 18308 1 3 CLIP106-120 'natural abundance' . . 3 $CLIP106-120flipped . . 280-360 . . uM . . . . 18308 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 18308 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'in phosphate buffered saline' 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' 150 . mM 18308 1 pH 5.8 . pH 18308 1 pressure 1 . atm 18308 1 temperature 310 . K 18308 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18308 _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' . . 18308 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 18308 1 . processing 18308 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 18308 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18308 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18308 2 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 18308 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18308 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18308 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 18308 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 cryoprobe . . 18308 1 2 spectrometer_2 Bruker Avance . 700 cryoprobe . . 18308 1 3 spectrometer_3 Bruker Avance . 900 cryoprobe . . 18308 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 18308 _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_DRbeta_CLIP106-120 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18308 1 2 '3D HNCA' no . . . . . . . . . . 1 $Sample_DRbeta_CLIP106-120 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18308 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_N_H _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_N_H _Chem_shift_reference.Entry_ID 18308 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1.0 . . . . . 18308 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 18308 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_DRbeta_CLIP106flipped _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode DRbeta_CLIP106flipped _Assigned_chem_shift_list.Entry_ID 18308 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_N_H _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' . . . 18308 1 2 '3D HNCA' . . . 18308 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 . 2 2 7 7 ARG H H 1 8.046 0.003 . 1 . . . . . 6 ARG HN . 18308 1 2 . 2 2 7 7 ARG N N 15 122.350 0.022 . 1 . . . . . 6 ARG N . 18308 1 3 . 2 2 8 8 PHE H H 1 8.517 0.002 . 1 . . . . . 7 PHE HN . 18308 1 4 . 2 2 8 8 PHE N N 15 116.000 0.032 . 1 . . . . . 7 PHE N . 18308 1 5 . 2 2 9 9 LEU H H 1 8.751 0.004 . 1 . . . . . 8 LEU HN . 18308 1 6 . 2 2 9 9 LEU N N 15 125.758 0.029 . 1 . . . . . 8 LEU N . 18308 1 7 . 2 2 10 10 TRP H H 1 9.292 0.001 . 1 . . . . . 9 TRP HN . 18308 1 8 . 2 2 10 10 TRP N N 15 127.660 0.031 . 1 . . . . . 9 TRP N . 18308 1 9 . 2 2 12 12 LEU H H 1 8.500 0.001 . 1 . . . . . 11 LEU HN . 18308 1 10 . 2 2 12 12 LEU N N 15 123.593 0.001 . 1 . . . . . 11 LEU N . 18308 1 11 . 2 2 13 13 LYS H H 1 8.465 0.002 . 1 . . . . . 12 LYS HN . 18308 1 12 . 2 2 13 13 LYS N N 15 121.721 0.080 . 1 . . . . . 12 LYS N . 18308 1 13 . 2 2 14 14 PHE H H 1 9.346 0.002 . 1 . . . . . 13 PHE HN . 18308 1 14 . 2 2 14 14 PHE N N 15 120.287 0.022 . 1 . . . . . 13 PHE N . 18308 1 15 . 2 2 15 15 GLU H H 1 10.135 0.004 . 1 . . . . . 14 GLU HN . 18308 1 16 . 2 2 15 15 GLU N N 15 120.694 0.012 . 1 . . . . . 14 GLU N . 18308 1 17 . 2 2 16 16 CYS H H 1 9.580 0.012 . 1 . . . . . 15 CYS HN . 18308 1 18 . 2 2 16 16 CYS N N 15 123.931 0.110 . 1 . . . . . 15 CYS N . 18308 1 19 . 2 2 17 17 HIS H H 1 9.580 0.002 . 1 . . . . . 16 HIS HN . 18308 1 20 . 2 2 17 17 HIS N N 15 122.919 0.039 . 1 . . . . . 16 HIS N . 18308 1 21 . 2 2 18 18 PHE H H 1 9.155 0.002 . 1 . . . . . 17 PHE HN . 18308 1 22 . 2 2 18 18 PHE N N 15 121.285 0.001 . 1 . . . . . 17 PHE N . 18308 1 23 . 2 2 19 19 PHE H H 1 9.056 0.004 . 1 . . . . . 18 PHE HN . 18308 1 24 . 2 2 19 19 PHE N N 15 123.158 0.035 . 1 . . . . . 18 PHE N . 18308 1 25 . 2 2 20 20 ASN H H 1 8.641 0.002 . 1 . . . . . 19 ASN HN . 18308 1 26 . 2 2 20 20 ASN N N 15 120.429 0.040 . 1 . . . . . 19 ASN N . 18308 1 27 . 2 2 21 21 GLY H H 1 8.777 0.003 . 1 . . . . . 20 GLY HN . 18308 1 28 . 2 2 21 21 GLY N N 15 110.674 0.037 . 1 . . . . . 20 GLY N . 18308 1 29 . 2 2 22 22 THR H H 1 8.363 0.002 . 1 . . . . . 21 THR HN . 18308 1 30 . 2 2 22 22 THR N N 15 112.276 0.012 . 1 . . . . . 21 THR N . 18308 1 31 . 2 2 23 23 GLU H H 1 7.916 0.005 . 1 . . . . . 22 GLU HN . 18308 1 32 . 2 2 23 23 GLU N N 15 123.921 0.024 . 1 . . . . . 22 GLU N . 18308 1 33 . 2 2 24 24 ARG H H 1 7.815 0.001 . 1 . . . . . 23 ARG HN . 18308 1 34 . 2 2 24 24 ARG N N 15 116.782 0.061 . 1 . . . . . 23 ARG N . 18308 1 35 . 2 2 25 25 VAL H H 1 8.241 0.002 . 1 . . . . . 24 VAL HN . 18308 1 36 . 2 2 25 25 VAL N N 15 124.041 0.135 . 1 . . . . . 24 VAL N . 18308 1 37 . 2 2 26 26 ARG H H 1 8.917 0.001 . 1 . . . . . 25 ARG HN . 18308 1 38 . 2 2 26 26 ARG N N 15 128.096 0.096 . 1 . . . . . 25 ARG N . 18308 1 39 . 2 2 27 27 LEU H H 1 9.264 0.002 . 1 . . . . . 26 LEU HN . 18308 1 40 . 2 2 27 27 LEU N N 15 130.368 0.029 . 1 . . . . . 26 LEU N . 18308 1 41 . 2 2 28 28 LEU H H 1 9.551 0.008 . 1 . . . . . 27 LEU HN . 18308 1 42 . 2 2 28 28 LEU N N 15 126.168 0.081 . 1 . . . . . 27 LEU N . 18308 1 43 . 2 2 29 29 GLU H H 1 9.469 0.012 . 1 . . . . . 28 GLU HN . 18308 1 44 . 2 2 29 29 GLU N N 15 127.098 0.037 . 1 . . . . . 28 GLU N . 18308 1 45 . 2 2 30 30 ARG H H 1 9.536 0.002 . 1 . . . . . 29 ARG HN . 18308 1 46 . 2 2 30 30 ARG N N 15 124.306 0.026 . 1 . . . . . 29 ARG N . 18308 1 47 . 2 2 31 31 CYS H H 1 8.171 0.002 . 1 . . . . . 30 CYS HN . 18308 1 48 . 2 2 31 31 CYS N N 15 120.788 0.045 . 1 . . . . . 30 CYS N . 18308 1 49 . 2 2 32 32 ILE H H 1 8.438 0.007 . 1 . . . . . 31 ILE HN . 18308 1 50 . 2 2 32 32 ILE N N 15 123.613 0.087 . 1 . . . . . 31 ILE N . 18308 1 51 . 2 2 33 33 TYR H H 1 8.400 0.004 . 1 . . . . . 32 TYR HN . 18308 1 52 . 2 2 33 33 TYR N N 15 129.220 0.043 . 1 . . . . . 32 TYR N . 18308 1 53 . 2 2 34 34 ASN H H 1 7.915 0.005 . 1 . . . . . 33 ASN HN . 18308 1 54 . 2 2 34 34 ASN N N 15 120.110 0.051 . 1 . . . . . 33 ASN N . 18308 1 55 . 2 2 35 35 GLN H H 1 7.869 0.003 . 1 . . . . . 34 GLN HN . 18308 1 56 . 2 2 35 35 GLN N N 15 124.638 0.059 . 1 . . . . . 34 GLN N . 18308 1 57 . 2 2 36 36 GLU H H 1 8.142 0.001 . 1 . . . . . 35 GLU HN . 18308 1 58 . 2 2 36 36 GLU N N 15 124.186 0.054 . 1 . . . . . 35 GLU N . 18308 1 59 . 2 2 37 37 GLU H H 1 8.688 0.001 . 1 . . . . . 36 GLU HN . 18308 1 60 . 2 2 37 37 GLU N N 15 129.911 0.048 . 1 . . . . . 36 GLU N . 18308 1 61 . 2 2 38 38 SER H H 1 9.364 0.004 . 1 . . . . . 37 SER HN . 18308 1 62 . 2 2 38 38 SER N N 15 121.111 0.038 . 1 . . . . . 37 SER N . 18308 1 63 . 2 2 40 40 ARG H H 1 8.663 0.016 . 1 . . . . . 39 ARG HN . 18308 1 64 . 2 2 40 40 ARG N N 15 121.599 0.010 . 1 . . . . . 39 ARG N . 18308 1 65 . 2 2 41 41 PHE H H 1 9.914 0.003 . 1 . . . . . 40 PHE HN . 18308 1 66 . 2 2 41 41 PHE N N 15 126.966 0.031 . 1 . . . . . 40 PHE N . 18308 1 67 . 2 2 42 42 ASP H H 1 6.393 0.011 . 1 . . . . . 41 ASP HN . 18308 1 68 . 2 2 42 42 ASP N N 15 126.781 0.027 . 1 . . . . . 41 ASP N . 18308 1 69 . 2 2 44 44 ASP H H 1 8.775 0.013 . 1 . . . . . 43 ASP HN . 18308 1 70 . 2 2 44 44 ASP N N 15 122.858 0.123 . 1 . . . . . 43 ASP N . 18308 1 71 . 2 2 45 45 VAL H H 1 7.349 0.001 . 1 . . . . . 44 VAL HN . 18308 1 72 . 2 2 45 45 VAL N N 15 117.751 0.087 . 1 . . . . . 44 VAL N . 18308 1 73 . 2 2 46 46 GLY H H 1 8.320 0.005 . 1 . . . . . 45 GLY HN . 18308 1 74 . 2 2 46 46 GLY N N 15 103.998 0.034 . 1 . . . . . 45 GLY N . 18308 1 75 . 2 2 47 47 GLU H H 1 6.973 0.001 . 1 . . . . . 46 GLU HN . 18308 1 76 . 2 2 47 47 GLU N N 15 113.811 0.050 . 1 . . . . . 46 GLU N . 18308 1 77 . 2 2 48 48 TYR H H 1 10.470 0.005 . 1 . . . . . 47 TYR HN . 18308 1 78 . 2 2 48 48 TYR N N 15 119.933 0.093 . 1 . . . . . 47 TYR N . 18308 1 79 . 2 2 49 49 ARG H H 1 9.178 0.002 . 1 . . . . . 48 ARG HN . 18308 1 80 . 2 2 49 49 ARG N N 15 119.543 0.047 . 1 . . . . . 48 ARG N . 18308 1 81 . 2 2 50 50 ALA H H 1 9.129 0.002 . 1 . . . . . 49 ALA HN . 18308 1 82 . 2 2 50 50 ALA N N 15 125.894 0.010 . 1 . . . . . 49 ALA N . 18308 1 83 . 2 2 51 51 VAL H H 1 8.613 0.018 . 1 . . . . . 50 VAL HN . 18308 1 84 . 2 2 51 51 VAL N N 15 126.579 0.165 . 1 . . . . . 50 VAL N . 18308 1 85 . 2 2 52 52 THR H H 1 7.729 0.007 . 1 . . . . . 51 THR HN . 18308 1 86 . 2 2 52 52 THR N N 15 108.364 0.049 . 1 . . . . . 51 THR N . 18308 1 87 . 2 2 53 53 GLU H H 1 8.828 0.002 . 1 . . . . . 52 GLU HN . 18308 1 88 . 2 2 53 53 GLU N N 15 119.706 0.074 . 1 . . . . . 52 GLU N . 18308 1 89 . 2 2 54 54 LEU H H 1 7.900 0.021 . 1 . . . . . 53 LEU HN . 18308 1 90 . 2 2 54 54 LEU N N 15 118.785 0.160 . 1 . . . . . 53 LEU N . 18308 1 91 . 2 2 55 55 GLY H H 1 7.643 . . . . . . . . 54 GLY HN . 18308 1 92 . 2 2 55 55 GLY N N 15 100.906 . . . . . . . . 54 GLY N . 18308 1 93 . 2 2 56 56 ARG H H 1 7.584 0.012 . 1 . . . . . 55 ARG HN . 18308 1 94 . 2 2 56 56 ARG N N 15 121.589 0.126 . 1 . . . . . 55 ARG N . 18308 1 95 . 2 2 58 58 ASP H H 1 6.681 . . . . . . . . 57 ASP HN . 18308 1 96 . 2 2 58 58 ASP N N 15 116.227 0.058 . 1 . . . . . 57 ASP N . 18308 1 97 . 2 2 59 59 ALA H H 1 7.580 0.008 . 1 . . . . . 58 ALA HN . 18308 1 98 . 2 2 59 59 ALA N N 15 118.416 0.063 . 1 . . . . . 58 ALA N . 18308 1 99 . 2 2 62 62 TRP H H 1 9.026 0.008 . 1 . . . . . 61 TRP HN . 18308 1 100 . 2 2 62 62 TRP N N 15 123.509 0.045 . 1 . . . . . 61 TRP N . 18308 1 101 . 2 2 63 63 ASN H H 1 8.286 0.001 . 1 . . . . . 62 ASN HN . 18308 1 102 . 2 2 63 63 ASN N N 15 113.370 0.060 . 1 . . . . . 62 ASN N . 18308 1 103 . 2 2 64 64 SER H H 1 7.751 0.005 . 1 . . . . . 63 SER HN . 18308 1 104 . 2 2 64 64 SER N N 15 113.820 0.060 . 1 . . . . . 63 SER N . 18308 1 105 . 2 2 65 65 GLN H H 1 7.748 0.001 . 1 . . . . . 64 GLN HN . 18308 1 106 . 2 2 65 65 GLN N N 15 123.624 0.110 . 1 . . . . . 64 GLN N . 18308 1 107 . 2 2 66 66 LYS H H 1 8.225 0.003 . 1 . . . . . 65 LYS HN . 18308 1 108 . 2 2 66 66 LYS N N 15 123.677 0.038 . 1 . . . . . 65 LYS N . 18308 1 109 . 2 2 67 67 ASP H H 1 8.942 . . . . . . . . 66 ASP HN . 18308 1 110 . 2 2 67 67 ASP N N 15 116.644 . . . . . . . . 66 ASP N . 18308 1 111 . 2 2 68 68 LEU H H 1 7.316 0.027 . 1 . . . . . 67 LEU HN . 18308 1 112 . 2 2 68 68 LEU N N 15 122.488 0.200 . 1 . . . . . 67 LEU N . 18308 1 113 . 2 2 73 73 ARG H H 1 8.446 0.017 . 1 . . . . . 72 ARG HN . 18308 1 114 . 2 2 73 73 ARG N N 15 117.298 0.205 . 1 . . . . . 72 ARG N . 18308 1 115 . 2 2 74 74 ALA H H 1 7.751 0.003 . 1 . . . . . 73 ALA HN . 18308 1 116 . 2 2 74 74 ALA N N 15 119.434 0.033 . 1 . . . . . 73 ALA N . 18308 1 117 . 2 2 75 75 ALA H H 1 7.734 0.010 . 1 . . . . . 74 ALA HN . 18308 1 118 . 2 2 75 75 ALA N N 15 121.989 0.096 . 1 . . . . . 74 ALA N . 18308 1 119 . 2 2 76 76 VAL H H 1 7.919 0.008 . 1 . . . . . 75 VAL HN . 18308 1 120 . 2 2 76 76 VAL N N 15 117.272 0.088 . 1 . . . . . 75 VAL N . 18308 1 121 . 2 2 77 77 ASP H H 1 7.831 0.009 . 1 . . . . . 76 ASP HN . 18308 1 122 . 2 2 77 77 ASP N N 15 118.343 0.009 . 1 . . . . . 76 ASP N . 18308 1 123 . 2 2 78 78 THR H H 1 8.515 0.010 . 1 . . . . . 77 THR HN . 18308 1 124 . 2 2 78 78 THR N N 15 110.024 0.015 . 1 . . . . . 77 THR N . 18308 1 125 . 2 2 79 79 TYR H H 1 8.292 0.004 . 1 . . . . . 78 TYR HN . 18308 1 126 . 2 2 79 79 TYR N N 15 120.365 0.165 . 1 . . . . . 78 TYR N . 18308 1 127 . 2 2 82 82 HIS H H 1 6.687 0.006 . 1 . . . . . 81 HIS HN . 18308 1 128 . 2 2 82 82 HIS N N 15 116.494 0.006 . 1 . . . . . 81 HIS N . 18308 1 129 . 2 2 85 85 GLY H H 1 7.783 0.032 . 1 . . . . . 84 GLY HN . 18308 1 130 . 2 2 85 85 GLY N N 15 103.297 0.101 . 1 . . . . . 84 GLY N . 18308 1 131 . 2 2 86 86 VAL H H 1 7.579 0.002 . 1 . . . . . 85 VAL HN . 18308 1 132 . 2 2 86 86 VAL N N 15 119.863 0.166 . 1 . . . . . 85 VAL N . 18308 1 133 . 2 2 87 87 GLY H H 1 7.667 . . . . . . . . 86 GLY HN . 18308 1 134 . 2 2 87 87 GLY N N 15 101.775 . . . . . . . . 86 GLY N . 18308 1 135 . 2 2 88 88 GLU H H 1 7.569 0.003 . 1 . . . . . 87 GLU HN . 18308 1 136 . 2 2 88 88 GLU N N 15 124.472 0.021 . 1 . . . . . 87 GLU N . 18308 1 137 . 2 2 89 89 SER H H 1 8.313 0.004 . 1 . . . . . 88 SER HN . 18308 1 138 . 2 2 89 89 SER N N 15 110.425 0.018 . 1 . . . . . 88 SER N . 18308 1 139 . 2 2 90 90 PHE H H 1 6.598 0.002 . 1 . . . . . 89 PHE HN . 18308 1 140 . 2 2 90 90 PHE N N 15 112.519 0.084 . 1 . . . . . 89 PHE N . 18308 1 141 . 2 2 91 91 THR H H 1 6.445 0.006 . 1 . . . . . 90 THR HN . 18308 1 142 . 2 2 91 91 THR N N 15 108.966 0.026 . 1 . . . . . 90 THR N . 18308 1 143 . 2 2 93 93 GLN H H 1 7.313 0.020 . 1 . . . . . 92 GLN HN . 18308 1 144 . 2 2 93 93 GLN N N 15 111.539 0.122 . 1 . . . . . 92 GLN N . 18308 1 145 . 2 2 94 94 ARG H H 1 7.206 0.004 . 1 . . . . . 93 ARG HN . 18308 1 146 . 2 2 94 94 ARG N N 15 121.196 0.008 . 1 . . . . . 93 ARG N . 18308 1 147 . 2 2 95 95 ARG H H 1 8.639 0.002 . 1 . . . . . 94 ARG HN . 18308 1 148 . 2 2 95 95 ARG N N 15 127.753 0.080 . 1 . . . . . 94 ARG N . 18308 1 149 . 2 2 96 96 VAL H H 1 9.601 0.007 . 1 . . . . . 95 VAL HN . 18308 1 150 . 2 2 96 96 VAL N N 15 125.080 0.004 . 1 . . . . . 95 VAL N . 18308 1 151 . 2 2 97 97 GLU H H 1 8.739 . . . . . . . . 96 GLU HN . 18308 1 152 . 2 2 97 97 GLU N N 15 127.630 0.011 . 1 . . . . . 96 GLU N . 18308 1 153 . 2 2 99 99 LYS H H 1 8.897 0.003 . 1 . . . . . 98 LYS HN . 18308 1 154 . 2 2 99 99 LYS N N 15 120.588 0.061 . 1 . . . . . 98 LYS N . 18308 1 155 . 2 2 100 100 VAL H H 1 8.706 0.004 . 1 . . . . . 99 VAL HN . 18308 1 156 . 2 2 100 100 VAL N N 15 126.501 0.043 . 1 . . . . . 99 VAL N . 18308 1 157 . 2 2 101 101 THR H H 1 9.029 0.001 . 1 . . . . . 100 THR HN . 18308 1 158 . 2 2 101 101 THR N N 15 121.541 0.065 . 1 . . . . . 100 THR N . 18308 1 159 . 2 2 102 102 VAL H H 1 8.494 0.002 . 1 . . . . . 101 VAL HN . 18308 1 160 . 2 2 102 102 VAL N N 15 123.810 0.030 . 1 . . . . . 101 VAL N . 18308 1 161 . 2 2 117 117 VAL H H 1 8.647 0.007 . 1 . . . . . 116 VAL HN . 18308 1 162 . 2 2 117 117 VAL N N 15 122.308 0.121 . 1 . . . . . 116 VAL N . 18308 1 163 . 2 2 118 118 CYS H H 1 8.852 0.001 . 1 . . . . . 117 CYS HN . 18308 1 164 . 2 2 118 118 CYS N N 15 126.214 0.058 . 1 . . . . . 117 CYS N . 18308 1 165 . 2 2 119 119 SER H H 1 9.291 . . . . . . . . 118 SER HN . 18308 1 166 . 2 2 119 119 SER N N 15 121.590 0.039 . 1 . . . . . 118 SER N . 18308 1 167 . 2 2 120 120 VAL H H 1 8.772 0.002 . 1 . . . . . 119 VAL HN . 18308 1 168 . 2 2 120 120 VAL N N 15 129.683 0.012 . 1 . . . . . 119 VAL N . 18308 1 169 . 2 2 121 121 SER H H 1 9.524 0.002 . 1 . . . . . 120 SER HN . 18308 1 170 . 2 2 121 121 SER N N 15 119.982 0.034 . 1 . . . . . 120 SER N . 18308 1 171 . 2 2 122 122 GLY H H 1 8.288 0.003 . 1 . . . . . 121 GLY HN . 18308 1 172 . 2 2 122 122 GLY N N 15 110.319 0.027 . 1 . . . . . 121 GLY N . 18308 1 173 . 2 2 123 123 PHE H H 1 7.437 0.004 . 1 . . . . . 122 PHE HN . 18308 1 174 . 2 2 123 123 PHE N N 15 110.334 0.006 . 1 . . . . . 122 PHE N . 18308 1 175 . 2 2 124 124 TYR H H 1 8.822 0.005 . 1 . . . . . 123 TYR HN . 18308 1 176 . 2 2 124 124 TYR N N 15 118.665 0.030 . 1 . . . . . 123 TYR N . 18308 1 177 . 2 2 126 126 GLY H H 1 8.825 0.006 . 1 . . . . . 125 GLY HN . 18308 1 178 . 2 2 126 126 GLY N N 15 109.129 0.073 . 1 . . . . . 125 GLY N . 18308 1 179 . 2 2 127 127 SER H H 1 7.114 0.001 . 1 . . . . . 126 SER HN . 18308 1 180 . 2 2 127 127 SER N N 15 114.838 0.022 . 1 . . . . . 126 SER N . 18308 1 181 . 2 2 128 128 ILE H H 1 8.083 0.001 . 1 . . . . . 127 ILE HN . 18308 1 182 . 2 2 128 128 ILE N N 15 122.863 0.035 . 1 . . . . . 127 ILE N . 18308 1 183 . 2 2 129 129 GLU H H 1 8.144 0.006 . 1 . . . . . 128 GLU HN . 18308 1 184 . 2 2 129 129 GLU N N 15 124.147 0.010 . 1 . . . . . 128 GLU N . 18308 1 185 . 2 2 130 130 VAL H H 1 8.526 0.005 . 1 . . . . . 129 VAL HN . 18308 1 186 . 2 2 130 130 VAL N N 15 125.782 0.015 . 1 . . . . . 129 VAL N . 18308 1 187 . 2 2 131 131 ARG H H 1 9.139 0.004 . 1 . . . . . 130 ARG HN . 18308 1 188 . 2 2 131 131 ARG N N 15 125.848 0.012 . 1 . . . . . 130 ARG N . 18308 1 189 . 2 2 132 132 TRP H H 1 8.871 0.005 . 1 . . . . . 131 TRP HN . 18308 1 190 . 2 2 132 132 TRP N N 15 120.272 0.045 . 1 . . . . . 131 TRP N . 18308 1 191 . 2 2 133 133 PHE H H 1 9.733 . . . . . . . . 132 PHE HN . 18308 1 192 . 2 2 133 133 PHE N N 15 117.825 0.021 . 1 . . . . . 132 PHE N . 18308 1 193 . 2 2 134 134 ARG H H 1 9.177 0.002 . 1 . . . . . 133 ARG HN . 18308 1 194 . 2 2 134 134 ARG N N 15 121.599 0.059 . 1 . . . . . 133 ARG N . 18308 1 195 . 2 2 135 135 ASN H H 1 9.764 0.003 . 1 . . . . . 134 ASN HN . 18308 1 196 . 2 2 135 135 ASN N N 15 127.464 0.069 . 1 . . . . . 134 ASN N . 18308 1 197 . 2 2 136 136 GLY H H 1 8.604 0.002 . 1 . . . . . 135 GLY HN . 18308 1 198 . 2 2 136 136 GLY N N 15 101.958 0.029 . 1 . . . . . 135 GLY N . 18308 1 199 . 2 2 137 137 GLN H H 1 8.056 0.002 . 1 . . . . . 136 GLN HN . 18308 1 200 . 2 2 137 137 GLN N N 15 120.331 0.051 . 1 . . . . . 136 GLN N . 18308 1 201 . 2 2 138 138 GLU H H 1 9.168 0.004 . 1 . . . . . 137 GLU HN . 18308 1 202 . 2 2 138 138 GLU N N 15 128.345 0.024 . 1 . . . . . 137 GLU N . 18308 1 203 . 2 2 139 139 GLU H H 1 8.796 0.003 . 1 . . . . . 138 GLU HN . 18308 1 204 . 2 2 139 139 GLU N N 15 128.572 0.058 . 1 . . . . . 138 GLU N . 18308 1 205 . 2 2 140 140 LYS H H 1 8.418 0.001 . 1 . . . . . 139 LYS HN . 18308 1 206 . 2 2 140 140 LYS N N 15 121.651 0.049 . 1 . . . . . 139 LYS N . 18308 1 207 . 2 2 141 141 ALA H H 1 8.506 0.001 . 1 . . . . . 140 ALA HN . 18308 1 208 . 2 2 141 141 ALA N N 15 124.375 0.042 . 1 . . . . . 140 ALA N . 18308 1 209 . 2 2 142 142 GLY H H 1 8.662 0.002 . 1 . . . . . 141 GLY HN . 18308 1 210 . 2 2 142 142 GLY N N 15 108.043 0.010 . 1 . . . . . 141 GLY N . 18308 1 211 . 2 2 143 143 VAL H H 1 7.268 0.004 . 1 . . . . . 142 VAL HN . 18308 1 212 . 2 2 143 143 VAL N N 15 119.096 0.057 . 1 . . . . . 142 VAL N . 18308 1 213 . 2 2 144 144 VAL H H 1 8.962 0.003 . 1 . . . . . 143 VAL HN . 18308 1 214 . 2 2 144 144 VAL N N 15 127.053 0.008 . 1 . . . . . 143 VAL N . 18308 1 215 . 2 2 145 145 SER H H 1 8.837 0.002 . 1 . . . . . 144 SER HN . 18308 1 216 . 2 2 145 145 SER N N 15 118.807 0.043 . 1 . . . . . 144 SER N . 18308 1 217 . 2 2 146 146 THR H H 1 8.596 0.003 . 1 . . . . . 145 THR HN . 18308 1 218 . 2 2 146 146 THR N N 15 114.400 0.084 . 1 . . . . . 145 THR N . 18308 1 219 . 2 2 147 147 GLY H H 1 8.621 0.001 . 1 . . . . . 146 GLY HN . 18308 1 220 . 2 2 147 147 GLY N N 15 108.250 0.091 . 1 . . . . . 146 GLY N . 18308 1 221 . 2 2 148 148 LEU H H 1 8.866 0.001 . 1 . . . . . 147 LEU HN . 18308 1 222 . 2 2 148 148 LEU N N 15 124.119 0.029 . 1 . . . . . 147 LEU N . 18308 1 223 . 2 2 149 149 ILE H H 1 9.056 0.003 . 1 . . . . . 148 ILE HN . 18308 1 224 . 2 2 149 149 ILE N N 15 127.162 0.013 . 1 . . . . . 148 ILE N . 18308 1 225 . 2 2 150 150 GLN H H 1 8.298 . . . . . . . . 149 GLN HN . 18308 1 226 . 2 2 150 150 GLN N N 15 127.049 0.052 . 1 . . . . . 149 GLN N . 18308 1 227 . 2 2 151 151 ASN H H 1 7.720 0.001 . 1 . . . . . 150 ASN HN . 18308 1 228 . 2 2 151 151 ASN N N 15 119.972 0.029 . 1 . . . . . 150 ASN N . 18308 1 229 . 2 2 152 152 GLY H H 1 8.577 0.017 . 1 . . . . . 151 GLY HN . 18308 1 230 . 2 2 152 152 GLY N N 15 109.505 0.059 . 1 . . . . . 151 GLY N . 18308 1 231 . 2 2 153 153 ASP H H 1 8.009 0.001 . 1 . . . . . 152 ASP HN . 18308 1 232 . 2 2 153 153 ASP N N 15 123.237 0.074 . 1 . . . . . 152 ASP N . 18308 1 233 . 2 2 154 154 TRP H H 1 7.800 0.016 . 1 . . . . . 153 TRP HN . 18308 1 234 . 2 2 154 154 TRP N N 15 111.954 0.163 . 1 . . . . . 153 TRP N . 18308 1 235 . 2 2 155 155 THR H H 1 7.550 0.001 . 1 . . . . . 154 THR HN . 18308 1 236 . 2 2 155 155 THR N N 15 107.119 0.042 . 1 . . . . . 154 THR N . 18308 1 237 . 2 2 156 156 PHE H H 1 8.436 0.002 . 1 . . . . . 155 PHE HN . 18308 1 238 . 2 2 156 156 PHE N N 15 118.834 0.063 . 1 . . . . . 155 PHE N . 18308 1 239 . 2 2 157 157 GLN H H 1 8.898 0.001 . 1 . . . . . 156 GLN HN . 18308 1 240 . 2 2 157 157 GLN N N 15 110.199 0.057 . 1 . . . . . 156 GLN N . 18308 1 241 . 2 2 158 158 THR H H 1 9.498 0.003 . 1 . . . . . 157 THR HN . 18308 1 242 . 2 2 158 158 THR N N 15 113.724 . . . . . . . . 157 THR N . 18308 1 243 . 2 2 159 159 LEU H H 1 8.275 0.005 . 1 . . . . . 158 LEU HN . 18308 1 244 . 2 2 159 159 LEU N N 15 126.632 0.050 . 1 . . . . . 158 LEU N . 18308 1 245 . 2 2 160 160 VAL H H 1 8.935 0.001 . 1 . . . . . 159 VAL HN . 18308 1 246 . 2 2 160 160 VAL N N 15 122.879 0.062 . 1 . . . . . 159 VAL N . 18308 1 247 . 2 2 161 161 MET H H 1 9.833 . . . . . . . . 160 MET HN . 18308 1 248 . 2 2 161 161 MET N N 15 129.910 0.028 . 1 . . . . . 160 MET N . 18308 1 249 . 2 2 162 162 LEU H H 1 8.801 0.003 . 1 . . . . . 161 LEU HN . 18308 1 250 . 2 2 162 162 LEU N N 15 122.688 0.037 . 1 . . . . . 161 LEU N . 18308 1 251 . 2 2 163 163 GLU H H 1 8.648 0.002 . 1 . . . . . 162 GLU HN . 18308 1 252 . 2 2 163 163 GLU N N 15 127.759 0.089 . 1 . . . . . 162 GLU N . 18308 1 253 . 2 2 167 167 ARG H H 1 8.723 0.002 . 1 . . . . . 166 ARG HN . 18308 1 254 . 2 2 167 167 ARG N N 15 122.369 0.023 . 1 . . . . . 166 ARG N . 18308 1 255 . 2 2 168 168 SER H H 1 8.574 0.006 . 1 . . . . . 167 SER HN . 18308 1 256 . 2 2 168 168 SER N N 15 116.316 0.061 . 1 . . . . . 167 SER N . 18308 1 257 . 2 2 169 169 GLY H H 1 8.664 0.007 . 1 . . . . . 168 GLY HN . 18308 1 258 . 2 2 169 169 GLY N N 15 113.332 0.015 . 1 . . . . . 168 GLY N . 18308 1 259 . 2 2 170 170 GLU H H 1 7.702 0.001 . 1 . . . . . 169 GLU HN . 18308 1 260 . 2 2 170 170 GLU N N 15 118.861 0.030 . 1 . . . . . 169 GLU N . 18308 1 261 . 2 2 171 171 VAL H H 1 8.191 0.003 . 1 . . . . . 170 VAL HN . 18308 1 262 . 2 2 171 171 VAL N N 15 120.750 0.041 . 1 . . . . . 170 VAL N . 18308 1 263 . 2 2 172 172 TYR H H 1 9.542 0.005 . 1 . . . . . 171 TYR HN . 18308 1 264 . 2 2 172 172 TYR N N 15 129.588 0.010 . 1 . . . . . 171 TYR N . 18308 1 265 . 2 2 173 173 THR H H 1 9.610 0.003 . 1 . . . . . 172 THR HN . 18308 1 266 . 2 2 173 173 THR N N 15 116.850 0.019 . 1 . . . . . 172 THR N . 18308 1 267 . 2 2 174 174 CYS H H 1 9.006 0.003 . 1 . . . . . 173 CYS HN . 18308 1 268 . 2 2 174 174 CYS N N 15 126.567 0.030 . 1 . . . . . 173 CYS N . 18308 1 269 . 2 2 175 175 GLN H H 1 9.320 0.002 . 1 . . . . . 174 GLN HN . 18308 1 270 . 2 2 175 175 GLN N N 15 128.058 0.047 . 1 . . . . . 174 GLN N . 18308 1 271 . 2 2 176 176 VAL H H 1 9.342 0.001 . 1 . . . . . 175 VAL HN . 18308 1 272 . 2 2 176 176 VAL N N 15 127.372 0.040 . 1 . . . . . 175 VAL N . 18308 1 273 . 2 2 177 177 GLU H H 1 8.861 0.002 . 1 . . . . . 176 GLU HN . 18308 1 274 . 2 2 177 177 GLU N N 15 125.655 0.007 . 1 . . . . . 176 GLU N . 18308 1 275 . 2 2 178 178 HIS H H 1 8.141 . . . . . . . . 177 HIS HN . 18308 1 276 . 2 2 178 178 HIS N N 15 123.957 . . . . . . . . 177 HIS N . 18308 1 277 . 2 2 180 180 SER H H 1 8.262 0.008 . 1 . . . . . 179 SER HN . 18308 1 278 . 2 2 180 180 SER N N 15 112.785 0.057 . 1 . . . . . 179 SER N . 18308 1 279 . 2 2 181 181 VAL H H 1 8.061 0.002 . 1 . . . . . 180 VAL HN . 18308 1 280 . 2 2 181 181 VAL N N 15 116.849 0.019 . 1 . . . . . 180 VAL N . 18308 1 281 . 2 2 182 182 THR H H 1 8.606 0.001 . 1 . . . . . 181 THR HN . 18308 1 282 . 2 2 182 182 THR N N 15 113.704 0.049 . 1 . . . . . 181 THR N . 18308 1 283 . 2 2 183 183 SER H H 1 7.660 0.002 . 1 . . . . . 182 SER HN . 18308 1 284 . 2 2 183 183 SER N N 15 116.884 0.017 . 1 . . . . . 182 SER N . 18308 1 285 . 2 2 185 185 LEU H H 1 8.861 0.001 . 1 . . . . . 184 LEU HN . 18308 1 286 . 2 2 185 185 LEU N N 15 124.676 0.047 . 1 . . . . . 184 LEU N . 18308 1 287 . 2 2 186 186 THR H H 1 8.393 0.001 . 1 . . . . . 185 THR HN . 18308 1 288 . 2 2 186 186 THR N N 15 113.574 0.029 . 1 . . . . . 185 THR N . 18308 1 289 . 2 2 187 187 VAL H H 1 8.574 0.003 . 1 . . . . . 186 VAL HN . 18308 1 290 . 2 2 187 187 VAL N N 15 123.248 0.037 . 1 . . . . . 186 VAL N . 18308 1 291 . 2 2 188 188 GLU H H 1 8.626 0.002 . 1 . . . . . 187 GLU HN . 18308 1 292 . 2 2 188 188 GLU N N 15 125.507 0.013 . 1 . . . . . 187 GLU N . 18308 1 293 . 2 2 189 189 TRP H H 1 9.870 0.004 . 1 . . . . . 188 TRP HN . 18308 1 294 . 2 2 189 189 TRP N N 15 125.624 0.059 . 1 . . . . . 188 TRP N . 18308 1 295 . 2 2 190 190 ARG H H 1 7.575 0.003 . 1 . . . . . 189 ARG HN . 18308 1 296 . 2 2 190 190 ARG N N 15 125.637 0.032 . 1 . . . . . 189 ARG N . 18308 1 297 . 2 2 191 191 ALA H H 1 8.332 . . . . . . . . 190 ALA HN . 18308 1 298 . 2 2 191 191 ALA N N 15 125.161 0.041 . 1 . . . . . 190 ALA N . 18308 1 299 . 2 2 192 192 ARG H H 1 8.274 0.001 . 1 . . . . . 191 ARG HN . 18308 1 300 . 2 2 192 192 ARG N N 15 121.539 0.043 . 1 . . . . . 191 ARG N . 18308 1 301 . 2 2 193 193 SER H H 1 8.417 0.012 . 1 . . . . . 192 SER HN . 18308 1 302 . 2 2 193 193 SER N N 15 117.170 0.019 . 1 . . . . . 192 SER N . 18308 1 303 . 2 2 194 194 GLU H H 1 8.646 0.001 . 1 . . . . . 193 GLU HN . 18308 1 304 . 2 2 194 194 GLU N N 15 123.008 0.021 . 1 . . . . . 193 GLU N . 18308 1 305 . 2 2 195 195 SER H H 1 8.358 0.002 . 1 . . . . . 194 SER HN . 18308 1 306 . 2 2 195 195 SER N N 15 116.334 0.022 . 1 . . . . . 194 SER N . 18308 1 307 . 2 2 196 196 ALA H H 1 8.344 0.001 . 1 . . . . . 195 ALA HN . 18308 1 308 . 2 2 196 196 ALA N N 15 125.702 0.043 . 1 . . . . . 195 ALA N . 18308 1 309 . 2 2 197 197 GLN H H 1 8.302 0.001 . 1 . . . . . 196 GLN HN . 18308 1 310 . 2 2 197 197 GLN N N 15 118.933 0.005 . 1 . . . . . 196 GLN N . 18308 1 311 . 2 2 198 198 SER H H 1 8.310 0.005 . 1 . . . . . 197 SER HN . 18308 1 312 . 2 2 198 198 SER N N 15 117.524 0.057 . 1 . . . . . 197 SER N . 18308 1 313 . 2 2 199 199 LYS H H 1 7.977 0.001 . 1 . . . . . 198 LYS HN . 18308 1 314 . 2 2 199 199 LYS N N 15 128.003 0.021 . 1 . . . . . 198 LYS N . 18308 1 stop_ save_