data_18285 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18285 _Entry.Title ; Backbone amide assignments of HLA-DR1/CLIP complexes ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-21 _Entry.Accession_date 2012-02-21 _Entry.Last_release_date 2012-02-21 _Entry.Original_release_date 2012-02-21 _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 . . . . 18285 2 Sebastian Guenther . . . . 18285 3 Jana Sticht . . . . 18285 4 Marek Wieczorek . . . . 18285 5 Yvette Roske . . . . 18285 6 Udo Heinemann . . . . 18285 7 Christian Freund . . . . 18285 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18285 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 159 18285 '1H chemical shifts' 159 18285 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 . 18285 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18308 'HLA-DR1 CLIP106-120flipped' 18285 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18285 _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 . . . . 18285 1 2 Sebastian Guenther . . . . 18285 1 3 Jana Sticht . . . . 18285 1 4 Marek Wieczorek . . . . 18285 1 5 Yvette Roske . . . . 18285 1 6 Udo Heinemann . . . . 18285 1 7 Christian Freund . . . . 18285 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18285 _Assembly.ID 1 _Assembly.Name HLA-DR1/CLIP102-120canonical _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 . yes native no no . . . 18285 1 2 HLA-DR1_beta_subunit 2 $HLA-DR1_beta_subunit B . no native no no . . . 18285 1 3 CLIP102-120 3 $CLIP102-120 C . no native no no . . . 18285 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 18285 1 2 disulfide single . 2 . 2 CYS 16 16 SG . 2 . 2 CYS 80 80 SG . . . 15 CYS SG . . . 79 CYS SG 18285 1 3 disulfide single . 2 . 2 CYS 118 118 SG . 2 . 2 CYS 174 174 SG . . . 117 CYS SG . . . 173 CYS SG 18285 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 3PDO . . . . . . 18285 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 18285 _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 . 18285 1 2 1 ILE . 18285 1 3 2 LYS . 18285 1 4 3 GLU . 18285 1 5 4 GLU . 18285 1 6 5 HIS . 18285 1 7 6 VAL . 18285 1 8 7 ILE . 18285 1 9 8 ILE . 18285 1 10 9 GLN . 18285 1 11 10 ALA . 18285 1 12 11 GLU . 18285 1 13 12 PHE . 18285 1 14 13 TYR . 18285 1 15 14 LEU . 18285 1 16 15 ASN . 18285 1 17 16 PRO . 18285 1 18 17 ASP . 18285 1 19 18 GLN . 18285 1 20 19 SER . 18285 1 21 20 GLY . 18285 1 22 21 GLU . 18285 1 23 22 PHE . 18285 1 24 23 MET . 18285 1 25 24 PHE . 18285 1 26 25 ASP . 18285 1 27 26 PHE . 18285 1 28 27 ASP . 18285 1 29 28 GLY . 18285 1 30 29 ASP . 18285 1 31 30 GLU . 18285 1 32 31 ILE . 18285 1 33 32 PHE . 18285 1 34 33 HIS . 18285 1 35 34 VAL . 18285 1 36 35 ASP . 18285 1 37 36 MET . 18285 1 38 37 ALA . 18285 1 39 38 LYS . 18285 1 40 39 LYS . 18285 1 41 40 GLU . 18285 1 42 41 THR . 18285 1 43 42 VAL . 18285 1 44 43 TRP . 18285 1 45 44 ARG . 18285 1 46 45 LEU . 18285 1 47 46 GLU . 18285 1 48 47 GLU . 18285 1 49 48 PHE . 18285 1 50 49 GLY . 18285 1 51 50 ARG . 18285 1 52 51 PHE . 18285 1 53 52 ALA . 18285 1 54 53 SER . 18285 1 55 54 PHE . 18285 1 56 55 GLU . 18285 1 57 56 ALA . 18285 1 58 57 GLN . 18285 1 59 58 GLY . 18285 1 60 59 ALA . 18285 1 61 60 LEU . 18285 1 62 61 ALA . 18285 1 63 62 ASN . 18285 1 64 63 ILE . 18285 1 65 64 ALA . 18285 1 66 65 VAL . 18285 1 67 66 ASP . 18285 1 68 67 LYS . 18285 1 69 68 ALA . 18285 1 70 69 ASN . 18285 1 71 70 LEU . 18285 1 72 71 GLU . 18285 1 73 72 ILE . 18285 1 74 73 MET . 18285 1 75 74 THR . 18285 1 76 75 LYS . 18285 1 77 76 ARG . 18285 1 78 77 SER . 18285 1 79 78 ASN . 18285 1 80 79 TYR . 18285 1 81 80 THR . 18285 1 82 81 PRO . 18285 1 83 82 ILE . 18285 1 84 83 THR . 18285 1 85 84 ASN . 18285 1 86 85 VAL . 18285 1 87 86 PRO . 18285 1 88 87 PRO . 18285 1 89 88 GLU . 18285 1 90 89 VAL . 18285 1 91 90 THR . 18285 1 92 91 VAL . 18285 1 93 92 LEU . 18285 1 94 93 THR . 18285 1 95 94 ASN . 18285 1 96 95 SER . 18285 1 97 96 PRO . 18285 1 98 97 VAL . 18285 1 99 98 GLU . 18285 1 100 99 LEU . 18285 1 101 100 ARG . 18285 1 102 101 GLU . 18285 1 103 102 PRO . 18285 1 104 103 ASN . 18285 1 105 104 VAL . 18285 1 106 105 LEU . 18285 1 107 106 ILE . 18285 1 108 107 CYS . 18285 1 109 108 PHE . 18285 1 110 109 ILE . 18285 1 111 110 ASP . 18285 1 112 111 LYS . 18285 1 113 112 PHE . 18285 1 114 113 THR . 18285 1 115 114 PRO . 18285 1 116 115 PRO . 18285 1 117 116 VAL . 18285 1 118 117 VAL . 18285 1 119 118 ASN . 18285 1 120 119 VAL . 18285 1 121 120 THR . 18285 1 122 121 TRP . 18285 1 123 122 LEU . 18285 1 124 123 ARG . 18285 1 125 124 ASN . 18285 1 126 125 GLY . 18285 1 127 126 LYS . 18285 1 128 127 PRO . 18285 1 129 128 VAL . 18285 1 130 129 THR . 18285 1 131 130 THR . 18285 1 132 131 GLY . 18285 1 133 132 VAL . 18285 1 134 133 SER . 18285 1 135 134 GLU . 18285 1 136 135 THR . 18285 1 137 136 VAL . 18285 1 138 137 PHE . 18285 1 139 138 LEU . 18285 1 140 139 PRO . 18285 1 141 140 ARG . 18285 1 142 141 GLU . 18285 1 143 142 ASP . 18285 1 144 143 HIS . 18285 1 145 144 LEU . 18285 1 146 145 PHE . 18285 1 147 146 ARG . 18285 1 148 147 LYS . 18285 1 149 148 PHE . 18285 1 150 149 HIS . 18285 1 151 150 TYR . 18285 1 152 151 LEU . 18285 1 153 152 PRO . 18285 1 154 153 PHE . 18285 1 155 154 LEU . 18285 1 156 155 PRO . 18285 1 157 156 SER . 18285 1 158 157 THR . 18285 1 159 158 GLU . 18285 1 160 159 ASP . 18285 1 161 160 VAL . 18285 1 162 161 TYR . 18285 1 163 162 ASP . 18285 1 164 163 CYS . 18285 1 165 164 ARG . 18285 1 166 165 VAL . 18285 1 167 166 GLU . 18285 1 168 167 HIS . 18285 1 169 168 TRP . 18285 1 170 169 GLY . 18285 1 171 170 LEU . 18285 1 172 171 ASP . 18285 1 173 172 GLU . 18285 1 174 173 PRO . 18285 1 175 174 LEU . 18285 1 176 175 LEU . 18285 1 177 176 LYS . 18285 1 178 177 HIS . 18285 1 179 178 TRP . 18285 1 180 179 GLU . 18285 1 181 180 PHE . 18285 1 182 181 ASP . 18285 1 183 182 ALA . 18285 1 184 183 PRO . 18285 1 185 184 SER . 18285 1 186 185 PRO . 18285 1 187 186 LEU . 18285 1 188 187 PRO . 18285 1 189 188 GLU . 18285 1 190 189 THR . 18285 1 191 190 THR . 18285 1 192 191 GLU . 18285 1 193 192 ASN . 18285 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 18285 1 . ILE 2 2 18285 1 . LYS 3 3 18285 1 . GLU 4 4 18285 1 . GLU 5 5 18285 1 . HIS 6 6 18285 1 . VAL 7 7 18285 1 . ILE 8 8 18285 1 . ILE 9 9 18285 1 . GLN 10 10 18285 1 . ALA 11 11 18285 1 . GLU 12 12 18285 1 . PHE 13 13 18285 1 . TYR 14 14 18285 1 . LEU 15 15 18285 1 . ASN 16 16 18285 1 . PRO 17 17 18285 1 . ASP 18 18 18285 1 . GLN 19 19 18285 1 . SER 20 20 18285 1 . GLY 21 21 18285 1 . GLU 22 22 18285 1 . PHE 23 23 18285 1 . MET 24 24 18285 1 . PHE 25 25 18285 1 . ASP 26 26 18285 1 . PHE 27 27 18285 1 . ASP 28 28 18285 1 . GLY 29 29 18285 1 . ASP 30 30 18285 1 . GLU 31 31 18285 1 . ILE 32 32 18285 1 . PHE 33 33 18285 1 . HIS 34 34 18285 1 . VAL 35 35 18285 1 . ASP 36 36 18285 1 . MET 37 37 18285 1 . ALA 38 38 18285 1 . LYS 39 39 18285 1 . LYS 40 40 18285 1 . GLU 41 41 18285 1 . THR 42 42 18285 1 . VAL 43 43 18285 1 . TRP 44 44 18285 1 . ARG 45 45 18285 1 . LEU 46 46 18285 1 . GLU 47 47 18285 1 . GLU 48 48 18285 1 . PHE 49 49 18285 1 . GLY 50 50 18285 1 . ARG 51 51 18285 1 . PHE 52 52 18285 1 . ALA 53 53 18285 1 . SER 54 54 18285 1 . PHE 55 55 18285 1 . GLU 56 56 18285 1 . ALA 57 57 18285 1 . GLN 58 58 18285 1 . GLY 59 59 18285 1 . ALA 60 60 18285 1 . LEU 61 61 18285 1 . ALA 62 62 18285 1 . ASN 63 63 18285 1 . ILE 64 64 18285 1 . ALA 65 65 18285 1 . VAL 66 66 18285 1 . ASP 67 67 18285 1 . LYS 68 68 18285 1 . ALA 69 69 18285 1 . ASN 70 70 18285 1 . LEU 71 71 18285 1 . GLU 72 72 18285 1 . ILE 73 73 18285 1 . MET 74 74 18285 1 . THR 75 75 18285 1 . LYS 76 76 18285 1 . ARG 77 77 18285 1 . SER 78 78 18285 1 . ASN 79 79 18285 1 . TYR 80 80 18285 1 . THR 81 81 18285 1 . PRO 82 82 18285 1 . ILE 83 83 18285 1 . THR 84 84 18285 1 . ASN 85 85 18285 1 . VAL 86 86 18285 1 . PRO 87 87 18285 1 . PRO 88 88 18285 1 . GLU 89 89 18285 1 . VAL 90 90 18285 1 . THR 91 91 18285 1 . VAL 92 92 18285 1 . LEU 93 93 18285 1 . THR 94 94 18285 1 . ASN 95 95 18285 1 . SER 96 96 18285 1 . PRO 97 97 18285 1 . VAL 98 98 18285 1 . GLU 99 99 18285 1 . LEU 100 100 18285 1 . ARG 101 101 18285 1 . GLU 102 102 18285 1 . PRO 103 103 18285 1 . ASN 104 104 18285 1 . VAL 105 105 18285 1 . LEU 106 106 18285 1 . ILE 107 107 18285 1 . CYS 108 108 18285 1 . PHE 109 109 18285 1 . ILE 110 110 18285 1 . ASP 111 111 18285 1 . LYS 112 112 18285 1 . PHE 113 113 18285 1 . THR 114 114 18285 1 . PRO 115 115 18285 1 . PRO 116 116 18285 1 . VAL 117 117 18285 1 . VAL 118 118 18285 1 . ASN 119 119 18285 1 . VAL 120 120 18285 1 . THR 121 121 18285 1 . TRP 122 122 18285 1 . LEU 123 123 18285 1 . ARG 124 124 18285 1 . ASN 125 125 18285 1 . GLY 126 126 18285 1 . LYS 127 127 18285 1 . PRO 128 128 18285 1 . VAL 129 129 18285 1 . THR 130 130 18285 1 . THR 131 131 18285 1 . GLY 132 132 18285 1 . VAL 133 133 18285 1 . SER 134 134 18285 1 . GLU 135 135 18285 1 . THR 136 136 18285 1 . VAL 137 137 18285 1 . PHE 138 138 18285 1 . LEU 139 139 18285 1 . PRO 140 140 18285 1 . ARG 141 141 18285 1 . GLU 142 142 18285 1 . ASP 143 143 18285 1 . HIS 144 144 18285 1 . LEU 145 145 18285 1 . PHE 146 146 18285 1 . ARG 147 147 18285 1 . LYS 148 148 18285 1 . PHE 149 149 18285 1 . HIS 150 150 18285 1 . TYR 151 151 18285 1 . LEU 152 152 18285 1 . PRO 153 153 18285 1 . PHE 154 154 18285 1 . LEU 155 155 18285 1 . PRO 156 156 18285 1 . SER 157 157 18285 1 . THR 158 158 18285 1 . GLU 159 159 18285 1 . ASP 160 160 18285 1 . VAL 161 161 18285 1 . TYR 162 162 18285 1 . ASP 163 163 18285 1 . CYS 164 164 18285 1 . ARG 165 165 18285 1 . VAL 166 166 18285 1 . GLU 167 167 18285 1 . HIS 168 168 18285 1 . TRP 169 169 18285 1 . GLY 170 170 18285 1 . LEU 171 171 18285 1 . ASP 172 172 18285 1 . GLU 173 173 18285 1 . PRO 174 174 18285 1 . LEU 175 175 18285 1 . LEU 176 176 18285 1 . LYS 177 177 18285 1 . HIS 178 178 18285 1 . TRP 179 179 18285 1 . GLU 180 180 18285 1 . PHE 181 181 18285 1 . ASP 182 182 18285 1 . ALA 183 183 18285 1 . PRO 184 184 18285 1 . SER 185 185 18285 1 . PRO 186 186 18285 1 . LEU 187 187 18285 1 . PRO 188 188 18285 1 . GLU 189 189 18285 1 . THR 190 190 18285 1 . THR 191 191 18285 1 . GLU 192 192 18285 1 . ASN 193 193 18285 1 stop_ save_ save_HLA-DR1_beta_subunit _Entity.Sf_category entity _Entity.Sf_framecode HLA-DR1_beta_subunit _Entity.Entry_ID 18285 _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 . 18285 2 2 1 GLY . 18285 2 3 2 ASP . 18285 2 4 3 THR . 18285 2 5 4 ARG . 18285 2 6 5 PRO . 18285 2 7 6 ARG . 18285 2 8 7 PHE . 18285 2 9 8 LEU . 18285 2 10 9 TRP . 18285 2 11 10 GLN . 18285 2 12 11 LEU . 18285 2 13 12 LYS . 18285 2 14 13 PHE . 18285 2 15 14 GLU . 18285 2 16 15 CYS . 18285 2 17 16 HIS . 18285 2 18 17 PHE . 18285 2 19 18 PHE . 18285 2 20 19 ASN . 18285 2 21 20 GLY . 18285 2 22 21 THR . 18285 2 23 22 GLU . 18285 2 24 23 ARG . 18285 2 25 24 VAL . 18285 2 26 25 ARG . 18285 2 27 26 LEU . 18285 2 28 27 LEU . 18285 2 29 28 GLU . 18285 2 30 29 ARG . 18285 2 31 30 CYS . 18285 2 32 31 ILE . 18285 2 33 32 TYR . 18285 2 34 33 ASN . 18285 2 35 34 GLN . 18285 2 36 35 GLU . 18285 2 37 36 GLU . 18285 2 38 37 SER . 18285 2 39 38 VAL . 18285 2 40 39 ARG . 18285 2 41 40 PHE . 18285 2 42 41 ASP . 18285 2 43 42 SER . 18285 2 44 43 ASP . 18285 2 45 44 VAL . 18285 2 46 45 GLY . 18285 2 47 46 GLU . 18285 2 48 47 TYR . 18285 2 49 48 ARG . 18285 2 50 49 ALA . 18285 2 51 50 VAL . 18285 2 52 51 THR . 18285 2 53 52 GLU . 18285 2 54 53 LEU . 18285 2 55 54 GLY . 18285 2 56 55 ARG . 18285 2 57 56 PRO . 18285 2 58 57 ASP . 18285 2 59 58 ALA . 18285 2 60 59 GLU . 18285 2 61 60 TYR . 18285 2 62 61 TRP . 18285 2 63 62 ASN . 18285 2 64 63 SER . 18285 2 65 64 GLN . 18285 2 66 65 LYS . 18285 2 67 66 ASP . 18285 2 68 67 LEU . 18285 2 69 68 LEU . 18285 2 70 69 GLU . 18285 2 71 70 GLN . 18285 2 72 71 ARG . 18285 2 73 72 ARG . 18285 2 74 73 ALA . 18285 2 75 74 ALA . 18285 2 76 75 VAL . 18285 2 77 76 ASP . 18285 2 78 77 THR . 18285 2 79 78 TYR . 18285 2 80 79 CYS . 18285 2 81 80 ARG . 18285 2 82 81 HIS . 18285 2 83 82 ASN . 18285 2 84 83 TYR . 18285 2 85 84 GLY . 18285 2 86 85 VAL . 18285 2 87 86 GLY . 18285 2 88 87 GLU . 18285 2 89 88 SER . 18285 2 90 89 PHE . 18285 2 91 90 THR . 18285 2 92 91 VAL . 18285 2 93 92 GLN . 18285 2 94 93 ARG . 18285 2 95 94 ARG . 18285 2 96 95 VAL . 18285 2 97 96 GLU . 18285 2 98 97 PRO . 18285 2 99 98 LYS . 18285 2 100 99 VAL . 18285 2 101 100 THR . 18285 2 102 101 VAL . 18285 2 103 102 TYR . 18285 2 104 103 PRO . 18285 2 105 104 SER . 18285 2 106 105 LYS . 18285 2 107 106 THR . 18285 2 108 107 GLN . 18285 2 109 108 PRO . 18285 2 110 109 LEU . 18285 2 111 110 GLN . 18285 2 112 111 HIS . 18285 2 113 112 HIS . 18285 2 114 113 ASN . 18285 2 115 114 LEU . 18285 2 116 115 LEU . 18285 2 117 116 VAL . 18285 2 118 117 CYS . 18285 2 119 118 SER . 18285 2 120 119 VAL . 18285 2 121 120 SER . 18285 2 122 121 GLY . 18285 2 123 122 PHE . 18285 2 124 123 TYR . 18285 2 125 124 PRO . 18285 2 126 125 GLY . 18285 2 127 126 SER . 18285 2 128 127 ILE . 18285 2 129 128 GLU . 18285 2 130 129 VAL . 18285 2 131 130 ARG . 18285 2 132 131 TRP . 18285 2 133 132 PHE . 18285 2 134 133 ARG . 18285 2 135 134 ASN . 18285 2 136 135 GLY . 18285 2 137 136 GLN . 18285 2 138 137 GLU . 18285 2 139 138 GLU . 18285 2 140 139 LYS . 18285 2 141 140 ALA . 18285 2 142 141 GLY . 18285 2 143 142 VAL . 18285 2 144 143 VAL . 18285 2 145 144 SER . 18285 2 146 145 THR . 18285 2 147 146 GLY . 18285 2 148 147 LEU . 18285 2 149 148 ILE . 18285 2 150 149 GLN . 18285 2 151 150 ASN . 18285 2 152 151 GLY . 18285 2 153 152 ASP . 18285 2 154 153 TRP . 18285 2 155 154 THR . 18285 2 156 155 PHE . 18285 2 157 156 GLN . 18285 2 158 157 THR . 18285 2 159 158 LEU . 18285 2 160 159 VAL . 18285 2 161 160 MET . 18285 2 162 161 LEU . 18285 2 163 162 GLU . 18285 2 164 163 THR . 18285 2 165 164 VAL . 18285 2 166 165 PRO . 18285 2 167 166 ARG . 18285 2 168 167 SER . 18285 2 169 168 GLY . 18285 2 170 169 GLU . 18285 2 171 170 VAL . 18285 2 172 171 TYR . 18285 2 173 172 THR . 18285 2 174 173 CYS . 18285 2 175 174 GLN . 18285 2 176 175 VAL . 18285 2 177 176 GLU . 18285 2 178 177 HIS . 18285 2 179 178 PRO . 18285 2 180 179 SER . 18285 2 181 180 VAL . 18285 2 182 181 THR . 18285 2 183 182 SER . 18285 2 184 183 PRO . 18285 2 185 184 LEU . 18285 2 186 185 THR . 18285 2 187 186 VAL . 18285 2 188 187 GLU . 18285 2 189 188 TRP . 18285 2 190 189 ARG . 18285 2 191 190 ALA . 18285 2 192 191 ARG . 18285 2 193 192 SER . 18285 2 194 193 GLU . 18285 2 195 194 SER . 18285 2 196 195 ALA . 18285 2 197 196 GLN . 18285 2 198 197 SER . 18285 2 199 198 LYS . 18285 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 18285 2 . GLY 2 2 18285 2 . ASP 3 3 18285 2 . THR 4 4 18285 2 . ARG 5 5 18285 2 . PRO 6 6 18285 2 . ARG 7 7 18285 2 . PHE 8 8 18285 2 . LEU 9 9 18285 2 . TRP 10 10 18285 2 . GLN 11 11 18285 2 . LEU 12 12 18285 2 . LYS 13 13 18285 2 . PHE 14 14 18285 2 . GLU 15 15 18285 2 . CYS 16 16 18285 2 . HIS 17 17 18285 2 . PHE 18 18 18285 2 . PHE 19 19 18285 2 . ASN 20 20 18285 2 . GLY 21 21 18285 2 . THR 22 22 18285 2 . GLU 23 23 18285 2 . ARG 24 24 18285 2 . VAL 25 25 18285 2 . ARG 26 26 18285 2 . LEU 27 27 18285 2 . LEU 28 28 18285 2 . GLU 29 29 18285 2 . ARG 30 30 18285 2 . CYS 31 31 18285 2 . ILE 32 32 18285 2 . TYR 33 33 18285 2 . ASN 34 34 18285 2 . GLN 35 35 18285 2 . GLU 36 36 18285 2 . GLU 37 37 18285 2 . SER 38 38 18285 2 . VAL 39 39 18285 2 . ARG 40 40 18285 2 . PHE 41 41 18285 2 . ASP 42 42 18285 2 . SER 43 43 18285 2 . ASP 44 44 18285 2 . VAL 45 45 18285 2 . GLY 46 46 18285 2 . GLU 47 47 18285 2 . TYR 48 48 18285 2 . ARG 49 49 18285 2 . ALA 50 50 18285 2 . VAL 51 51 18285 2 . THR 52 52 18285 2 . GLU 53 53 18285 2 . LEU 54 54 18285 2 . GLY 55 55 18285 2 . ARG 56 56 18285 2 . PRO 57 57 18285 2 . ASP 58 58 18285 2 . ALA 59 59 18285 2 . GLU 60 60 18285 2 . TYR 61 61 18285 2 . TRP 62 62 18285 2 . ASN 63 63 18285 2 . SER 64 64 18285 2 . GLN 65 65 18285 2 . LYS 66 66 18285 2 . ASP 67 67 18285 2 . LEU 68 68 18285 2 . LEU 69 69 18285 2 . GLU 70 70 18285 2 . GLN 71 71 18285 2 . ARG 72 72 18285 2 . ARG 73 73 18285 2 . ALA 74 74 18285 2 . ALA 75 75 18285 2 . VAL 76 76 18285 2 . ASP 77 77 18285 2 . THR 78 78 18285 2 . TYR 79 79 18285 2 . CYS 80 80 18285 2 . ARG 81 81 18285 2 . HIS 82 82 18285 2 . ASN 83 83 18285 2 . TYR 84 84 18285 2 . GLY 85 85 18285 2 . VAL 86 86 18285 2 . GLY 87 87 18285 2 . GLU 88 88 18285 2 . SER 89 89 18285 2 . PHE 90 90 18285 2 . THR 91 91 18285 2 . VAL 92 92 18285 2 . GLN 93 93 18285 2 . ARG 94 94 18285 2 . ARG 95 95 18285 2 . VAL 96 96 18285 2 . GLU 97 97 18285 2 . PRO 98 98 18285 2 . LYS 99 99 18285 2 . VAL 100 100 18285 2 . THR 101 101 18285 2 . VAL 102 102 18285 2 . TYR 103 103 18285 2 . PRO 104 104 18285 2 . SER 105 105 18285 2 . LYS 106 106 18285 2 . THR 107 107 18285 2 . GLN 108 108 18285 2 . PRO 109 109 18285 2 . LEU 110 110 18285 2 . GLN 111 111 18285 2 . HIS 112 112 18285 2 . HIS 113 113 18285 2 . ASN 114 114 18285 2 . LEU 115 115 18285 2 . LEU 116 116 18285 2 . VAL 117 117 18285 2 . CYS 118 118 18285 2 . SER 119 119 18285 2 . VAL 120 120 18285 2 . SER 121 121 18285 2 . GLY 122 122 18285 2 . PHE 123 123 18285 2 . TYR 124 124 18285 2 . PRO 125 125 18285 2 . GLY 126 126 18285 2 . SER 127 127 18285 2 . ILE 128 128 18285 2 . GLU 129 129 18285 2 . VAL 130 130 18285 2 . ARG 131 131 18285 2 . TRP 132 132 18285 2 . PHE 133 133 18285 2 . ARG 134 134 18285 2 . ASN 135 135 18285 2 . GLY 136 136 18285 2 . GLN 137 137 18285 2 . GLU 138 138 18285 2 . GLU 139 139 18285 2 . LYS 140 140 18285 2 . ALA 141 141 18285 2 . GLY 142 142 18285 2 . VAL 143 143 18285 2 . VAL 144 144 18285 2 . SER 145 145 18285 2 . THR 146 146 18285 2 . GLY 147 147 18285 2 . LEU 148 148 18285 2 . ILE 149 149 18285 2 . GLN 150 150 18285 2 . ASN 151 151 18285 2 . GLY 152 152 18285 2 . ASP 153 153 18285 2 . TRP 154 154 18285 2 . THR 155 155 18285 2 . PHE 156 156 18285 2 . GLN 157 157 18285 2 . THR 158 158 18285 2 . LEU 159 159 18285 2 . VAL 160 160 18285 2 . MET 161 161 18285 2 . LEU 162 162 18285 2 . GLU 163 163 18285 2 . THR 164 164 18285 2 . VAL 165 165 18285 2 . PRO 166 166 18285 2 . ARG 167 167 18285 2 . SER 168 168 18285 2 . GLY 169 169 18285 2 . GLU 170 170 18285 2 . VAL 171 171 18285 2 . TYR 172 172 18285 2 . THR 173 173 18285 2 . CYS 174 174 18285 2 . GLN 175 175 18285 2 . VAL 176 176 18285 2 . GLU 177 177 18285 2 . HIS 178 178 18285 2 . PRO 179 179 18285 2 . SER 180 180 18285 2 . VAL 181 181 18285 2 . THR 182 182 18285 2 . SER 183 183 18285 2 . PRO 184 184 18285 2 . LEU 185 185 18285 2 . THR 186 186 18285 2 . VAL 187 187 18285 2 . GLU 188 188 18285 2 . TRP 189 189 18285 2 . ARG 190 190 18285 2 . ALA 191 191 18285 2 . ARG 192 192 18285 2 . SER 193 193 18285 2 . GLU 194 194 18285 2 . SER 195 195 18285 2 . ALA 196 196 18285 2 . GLN 197 197 18285 2 . SER 198 198 18285 2 . LYS 199 199 18285 2 stop_ save_ save_CLIP102-120 _Entity.Sf_category entity _Entity.Sf_framecode CLIP102-120 _Entity.Entry_ID 18285 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CLIP102-120 _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 ; KPVSKMRMATPLLMQALPM ; _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 19 _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 1 102 LYS . 18285 3 2 103 PRO . 18285 3 3 104 VAL . 18285 3 4 105 SER . 18285 3 5 106 LYS . 18285 3 6 107 MET . 18285 3 7 108 ARG . 18285 3 8 109 MET . 18285 3 9 110 ALA . 18285 3 10 111 THR . 18285 3 11 112 PRO . 18285 3 12 113 LEU . 18285 3 13 114 LEU . 18285 3 14 115 MET . 18285 3 15 116 GLN . 18285 3 16 117 ALA . 18285 3 17 118 LEU . 18285 3 18 119 PRO . 18285 3 19 120 MET . 18285 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 18285 3 . PRO 2 2 18285 3 . VAL 3 3 18285 3 . SER 4 4 18285 3 . LYS 5 5 18285 3 . MET 6 6 18285 3 . ARG 7 7 18285 3 . MET 8 8 18285 3 . ALA 9 9 18285 3 . THR 10 10 18285 3 . PRO 11 11 18285 3 . LEU 12 12 18285 3 . LEU 13 13 18285 3 . MET 14 14 18285 3 . GLN 15 15 18285 3 . ALA 16 16 18285 3 . LEU 17 17 18285 3 . PRO 18 18 18285 3 . MET 19 19 18285 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 18285 _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 . . . . . . . . . . . . . 18285 1 2 2 $HLA-DR1_beta_subunit . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 18285 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 18285 _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' . . . 18285 1 2 2 $HLA-DR1_beta_subunit . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET system' . . . 18285 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_DRalpha_CLIP102-120 _Sample.Sf_category sample _Sample.Sf_framecode Sample_DRalpha_CLIP102-120 _Sample.Entry_ID 18285 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'co-refolded peptide and protein' _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 '[U-13C; U-15N; U-2H]' . . 1 $HLA-DR1_alpha_subunit . . 280 . . uM . . . . 18285 1 2 HLA-DR1_beta_subunit 'natural abundance' . . 2 $HLA-DR1_beta_subunit . . 280 . . uM . . . . 18285 1 3 CLIP102-120 'natural abundance' . . 3 $CLIP102-120 . . 280 . . uM . . . . 18285 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 18285 _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 18285 1 pH 5.8 . pH 18285 1 pressure 1 . atm 18285 1 temperature 310 . K 18285 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18285 _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' . . 18285 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 18285 1 . processing 18285 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 18285 _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 . . 18285 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18285 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 18285 _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 18285 _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 18285 _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 18285 _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 . . 18285 1 2 spectrometer_2 Bruker Avance . 700 cryoprobe . . 18285 1 3 spectrometer_3 Bruker Avance . 900 cryoprobe . . 18285 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 18285 _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_DRalpha_CLIP102-120 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18285 1 2 '3D HNCO' no . . . . . . . . . . 1 $Sample_DRalpha_CLIP102-120 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18285 1 3 '3D HNCA' no . . . . . . . . . . 1 $Sample_DRalpha_CLIP102-120 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18285 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $Sample_DRalpha_CLIP102-120 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18285 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Sample_DRalpha_CLIP102-120 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18285 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $Sample_DRalpha_CLIP102-120 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18285 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 18285 _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 . . . . . 18285 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 18285 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_DRalpha_CLIP102canonical _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode DRalpha_CLIP102canonical _Assigned_chem_shift_list.Entry_ID 18285 _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' . . . 18285 1 2 '3D HNCO' . . . 18285 1 3 '3D HNCA' . . . 18285 1 4 '3D HN(CO)CA' . . . 18285 1 6 '3D HN(CA)CO' . . . 18285 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 7 7 VAL H H 1 9.196 0.003 . 1 . . . . . 6 VAL HN . 18285 1 2 . 1 1 7 7 VAL N N 15 121.414 0.161 . 1 . . . . . 6 VAL N . 18285 1 3 . 1 1 8 8 ILE H H 1 8.943 0.003 . 1 . . . . . 7 ILE HN . 18285 1 4 . 1 1 8 8 ILE N N 15 126.568 0.089 . 1 . . . . . 7 ILE N . 18285 1 5 . 1 1 9 9 ILE H H 1 9.996 0.003 . 1 . . . . . 8 ILE HN . 18285 1 6 . 1 1 9 9 ILE N N 15 130.341 0.064 . 1 . . . . . 8 ILE N . 18285 1 7 . 1 1 10 10 GLN H H 1 8.750 0.002 . 1 . . . . . 9 GLN HN . 18285 1 8 . 1 1 10 10 GLN N N 15 129.088 0.097 . 1 . . . . . 9 GLN N . 18285 1 9 . 1 1 11 11 ALA H H 1 9.178 0.002 . 1 . . . . . 10 ALA HN . 18285 1 10 . 1 1 11 11 ALA N N 15 130.821 0.117 . 1 . . . . . 10 ALA N . 18285 1 11 . 1 1 12 12 GLU H H 1 9.096 0.001 . 1 . . . . . 11 GLU HN . 18285 1 12 . 1 1 12 12 GLU N N 15 120.257 0.085 . 1 . . . . . 11 GLU N . 18285 1 13 . 1 1 14 14 TYR H H 1 9.553 0.003 . 1 . . . . . 13 TYR HN . 18285 1 14 . 1 1 14 14 TYR N N 15 119.084 0.068 . 1 . . . . . 13 TYR N . 18285 1 15 . 1 1 15 15 LEU H H 1 8.316 0.002 . 1 . . . . . 14 LEU HN . 18285 1 16 . 1 1 15 15 LEU N N 15 129.957 0.092 . 1 . . . . . 14 LEU N . 18285 1 17 . 1 1 16 16 ASN H H 1 9.348 0.003 . 1 . . . . . 15 ASN HN . 18285 1 18 . 1 1 16 16 ASN N N 15 125.695 0.079 . 1 . . . . . 15 ASN N . 18285 1 19 . 1 1 18 18 ASP H H 1 9.318 0.003 . 1 . . . . . 17 ASP HN . 18285 1 20 . 1 1 18 18 ASP N N 15 123.221 0.079 . 1 . . . . . 17 ASP N . 18285 1 21 . 1 1 19 19 GLN H H 1 8.888 0.003 . 1 . . . . . 18 GLN HN . 18285 1 22 . 1 1 19 19 GLN N N 15 112.001 0.060 . 1 . . . . . 18 GLN N . 18285 1 23 . 1 1 20 20 SER H H 1 7.138 0.005 . 1 . . . . . 19 SER HN . 18285 1 24 . 1 1 20 20 SER N N 15 112.878 0.080 . 1 . . . . . 19 SER N . 18285 1 25 . 1 1 21 21 GLY H H 1 8.196 0.002 . 1 . . . . . 20 GLY HN . 18285 1 26 . 1 1 21 21 GLY N N 15 109.614 0.057 . 1 . . . . . 20 GLY N . 18285 1 27 . 1 1 24 24 MET H H 1 9.146 0.005 . 1 . . . . . 23 MET HN . 18285 1 28 . 1 1 24 24 MET N N 15 126.708 0.066 . 1 . . . . . 23 MET N . 18285 1 29 . 1 1 25 25 PHE H H 1 8.082 0.002 . 1 . . . . . 24 PHE HN . 18285 1 30 . 1 1 25 25 PHE N N 15 118.781 0.064 . 1 . . . . . 24 PHE N . 18285 1 31 . 1 1 26 26 ASP H H 1 9.898 0.003 . 1 . . . . . 25 ASP HN . 18285 1 32 . 1 1 26 26 ASP N N 15 126.463 0.082 . 1 . . . . . 25 ASP N . 18285 1 33 . 1 1 27 27 PHE H H 1 9.715 0.003 . 1 . . . . . 26 PHE HN . 18285 1 34 . 1 1 27 27 PHE N N 15 124.697 0.096 . 1 . . . . . 26 PHE N . 18285 1 35 . 1 1 28 28 ASP H H 1 8.653 0.002 . 1 . . . . . 27 ASP HN . 18285 1 36 . 1 1 28 28 ASP N N 15 127.885 0.082 . 1 . . . . . 27 ASP N . 18285 1 37 . 1 1 29 29 GLY H H 1 9.138 0.003 . 1 . . . . . 28 GLY HN . 18285 1 38 . 1 1 29 29 GLY N N 15 106.627 0.064 . 1 . . . . . 28 GLY N . 18285 1 39 . 1 1 30 30 ASP H H 1 7.952 0.002 . 1 . . . . . 29 ASP HN . 18285 1 40 . 1 1 30 30 ASP N N 15 120.257 0.057 . 1 . . . . . 29 ASP N . 18285 1 41 . 1 1 31 31 GLU H H 1 8.917 0.004 . 1 . . . . . 30 GLU HN . 18285 1 42 . 1 1 31 31 GLU N N 15 121.391 0.094 . 1 . . . . . 30 GLU N . 18285 1 43 . 1 1 32 32 ILE H H 1 10.167 0.015 . 1 . . . . . 31 ILE HN . 18285 1 44 . 1 1 32 32 ILE N N 15 127.178 0.093 . 1 . . . . . 31 ILE N . 18285 1 45 . 1 1 33 33 PHE H H 1 7.492 0.011 . 1 . . . . . 32 PHE HN . 18285 1 46 . 1 1 33 33 PHE N N 15 111.646 0.099 . 1 . . . . . 32 PHE N . 18285 1 47 . 1 1 34 34 HIS H H 1 8.308 0.002 . 1 . . . . . 33 HIS HN . 18285 1 48 . 1 1 34 34 HIS N N 15 111.171 0.065 . 1 . . . . . 33 HIS N . 18285 1 49 . 1 1 35 35 VAL H H 1 8.462 0.002 . 1 . . . . . 34 VAL HN . 18285 1 50 . 1 1 35 35 VAL N N 15 119.640 0.075 . 1 . . . . . 34 VAL N . 18285 1 51 . 1 1 36 36 ASP H H 1 9.166 0.003 . 1 . . . . . 35 ASP HN . 18285 1 52 . 1 1 36 36 ASP N N 15 128.569 0.064 . 1 . . . . . 35 ASP N . 18285 1 53 . 1 1 37 37 MET H H 1 9.268 0.003 . 1 . . . . . 36 MET HN . 18285 1 54 . 1 1 37 37 MET N N 15 126.738 0.094 . 1 . . . . . 36 MET N . 18285 1 55 . 1 1 38 38 ALA H H 1 8.327 0.004 . 1 . . . . . 37 ALA HN . 18285 1 56 . 1 1 38 38 ALA N N 15 121.036 0.071 . 1 . . . . . 37 ALA N . 18285 1 57 . 1 1 39 39 LYS H H 1 8.218 0.004 . 1 . . . . . 38 LYS HN . 18285 1 58 . 1 1 39 39 LYS N N 15 115.951 0.061 . 1 . . . . . 38 LYS N . 18285 1 59 . 1 1 40 40 LYS H H 1 8.206 0.006 . 1 . . . . . 39 LYS HN . 18285 1 60 . 1 1 40 40 LYS N N 15 116.230 0.112 . 1 . . . . . 39 LYS N . 18285 1 61 . 1 1 41 41 GLU H H 1 7.187 0.002 . 1 . . . . . 40 GLU HN . 18285 1 62 . 1 1 41 41 GLU N N 15 114.615 0.061 . 1 . . . . . 40 GLU N . 18285 1 63 . 1 1 42 42 THR H H 1 9.051 0.004 . 1 . . . . . 41 THR HN . 18285 1 64 . 1 1 42 42 THR N N 15 124.257 0.063 . 1 . . . . . 41 THR N . 18285 1 65 . 1 1 43 43 VAL H H 1 8.853 0.003 . 1 . . . . . 42 VAL HN . 18285 1 66 . 1 1 43 43 VAL N N 15 129.313 0.094 . 1 . . . . . 42 VAL N . 18285 1 67 . 1 1 44 44 TRP H H 1 8.438 0.004 . 1 . . . . . 43 TRP HN . 18285 1 68 . 1 1 44 44 TRP N N 15 130.992 0.086 . 1 . . . . . 43 TRP N . 18285 1 69 . 1 1 45 45 ARG H H 1 8.999 0.002 . 1 . . . . . 44 ARG HN . 18285 1 70 . 1 1 45 45 ARG N N 15 123.947 0.068 . 1 . . . . . 44 ARG N . 18285 1 71 . 1 1 46 46 LEU H H 1 6.160 0.002 . 1 . . . . . 45 LEU HN . 18285 1 72 . 1 1 46 46 LEU N N 15 113.290 0.082 . 1 . . . . . 45 LEU N . 18285 1 73 . 1 1 47 47 GLU H H 1 8.545 0.003 . 1 . . . . . 46 GLU HN . 18285 1 74 . 1 1 47 47 GLU N N 15 123.272 0.063 . 1 . . . . . 46 GLU N . 18285 1 75 . 1 1 48 48 GLU H H 1 8.851 0.005 . 1 . . . . . 47 GLU HN . 18285 1 76 . 1 1 48 48 GLU N N 15 116.390 0.059 . 1 . . . . . 47 GLU N . 18285 1 77 . 1 1 49 49 PHE H H 1 7.189 0.002 . 1 . . . . . 48 PHE HN . 18285 1 78 . 1 1 49 49 PHE N N 15 117.127 0.061 . 1 . . . . . 48 PHE N . 18285 1 79 . 1 1 50 50 GLY H H 1 6.586 0.004 . 1 . . . . . 49 GLY HN . 18285 1 80 . 1 1 50 50 GLY N N 15 100.736 0.080 . 1 . . . . . 49 GLY N . 18285 1 81 . 1 1 51 51 ARG H H 1 6.975 0.003 . 1 . . . . . 50 ARG HN . 18285 1 82 . 1 1 51 51 ARG N N 15 115.899 0.092 . 1 . . . . . 50 ARG N . 18285 1 83 . 1 1 52 52 PHE H H 1 7.084 0.003 . 1 . . . . . 51 PHE HN . 18285 1 84 . 1 1 52 52 PHE N N 15 115.082 0.089 . 1 . . . . . 51 PHE N . 18285 1 85 . 1 1 53 53 ALA H H 1 7.288 0.002 . 1 . . . . . 52 ALA HN . 18285 1 86 . 1 1 53 53 ALA N N 15 121.316 0.140 . 1 . . . . . 52 ALA N . 18285 1 87 . 1 1 54 54 SER H H 1 8.084 0.002 . 1 . . . . . 53 SER HN . 18285 1 88 . 1 1 54 54 SER N N 15 109.816 0.062 . 1 . . . . . 53 SER N . 18285 1 89 . 1 1 55 55 PHE H H 1 8.713 0.003 . 1 . . . . . 54 PHE HN . 18285 1 90 . 1 1 55 55 PHE N N 15 120.887 0.073 . 1 . . . . . 54 PHE N . 18285 1 91 . 1 1 56 56 GLU H H 1 7.591 0.001 . 1 . . . . . 55 GLU HN . 18285 1 92 . 1 1 56 56 GLU N N 15 128.419 0.073 . 1 . . . . . 55 GLU N . 18285 1 93 . 1 1 57 57 ALA H H 1 8.236 0.003 . 1 . . . . . 56 ALA HN . 18285 1 94 . 1 1 57 57 ALA N N 15 130.461 0.072 . 1 . . . . . 56 ALA N . 18285 1 95 . 1 1 58 58 GLN H H 1 8.847 0.003 . 1 . . . . . 57 GLN HN . 18285 1 96 . 1 1 58 58 GLN N N 15 113.644 0.071 . 1 . . . . . 57 GLN N . 18285 1 97 . 1 1 59 59 GLY H H 1 7.596 0.002 . 1 . . . . . 58 GLY HN . 18285 1 98 . 1 1 59 59 GLY N N 15 105.673 0.062 . 1 . . . . . 58 GLY N . 18285 1 99 . 1 1 60 60 ALA H H 1 7.199 0.002 . 1 . . . . . 59 ALA HN . 18285 1 100 . 1 1 60 60 ALA N N 15 121.121 0.059 . 1 . . . . . 59 ALA N . 18285 1 101 . 1 1 61 61 LEU H H 1 7.064 0.002 . 1 . . . . . 60 LEU HN . 18285 1 102 . 1 1 61 61 LEU N N 15 115.665 0.062 . 1 . . . . . 60 LEU N . 18285 1 103 . 1 1 62 62 ALA H H 1 7.298 0.002 . 1 . . . . . 61 ALA HN . 18285 1 104 . 1 1 62 62 ALA N N 15 122.696 0.077 . 1 . . . . . 61 ALA N . 18285 1 105 . 1 1 63 63 ASN H H 1 7.636 0.001 . 1 . . . . . 62 ASN HN . 18285 1 106 . 1 1 63 63 ASN N N 15 121.303 0.067 . 1 . . . . . 62 ASN N . 18285 1 107 . 1 1 64 64 ILE H H 1 7.951 0.002 . 1 . . . . . 63 ILE HN . 18285 1 108 . 1 1 64 64 ILE N N 15 119.134 0.125 . 1 . . . . . 63 ILE N . 18285 1 109 . 1 1 65 65 ALA H H 1 7.410 0.002 . 1 . . . . . 64 ALA HN . 18285 1 110 . 1 1 65 65 ALA N N 15 120.734 0.102 . 1 . . . . . 64 ALA N . 18285 1 111 . 1 1 66 66 VAL H H 1 7.454 0.002 . 1 . . . . . 65 VAL HN . 18285 1 112 . 1 1 66 66 VAL N N 15 121.545 0.119 . 1 . . . . . 65 VAL N . 18285 1 113 . 1 1 67 67 ASP H H 1 8.528 0.005 . 1 . . . . . 66 ASP HN . 18285 1 114 . 1 1 67 67 ASP N N 15 120.393 0.060 . 1 . . . . . 66 ASP N . 18285 1 115 . 1 1 68 68 LYS H H 1 8.446 0.002 . 1 . . . . . 67 LYS HN . 18285 1 116 . 1 1 68 68 LYS N N 15 119.112 0.116 . 1 . . . . . 67 LYS N . 18285 1 117 . 1 1 69 69 ALA H H 1 7.205 0.002 . 1 . . . . . 68 ALA HN . 18285 1 118 . 1 1 69 69 ALA N N 15 121.761 0.057 . 1 . . . . . 68 ALA N . 18285 1 119 . 1 1 70 70 ASN H H 1 8.613 0.002 . 1 . . . . . 69 ASN HN . 18285 1 120 . 1 1 70 70 ASN N N 15 119.508 0.062 . 1 . . . . . 69 ASN N . 18285 1 121 . 1 1 71 71 LEU H H 1 8.425 0.004 . 1 . . . . . 70 LEU HN . 18285 1 122 . 1 1 71 71 LEU N N 15 121.826 0.094 . 1 . . . . . 70 LEU N . 18285 1 123 . 1 1 72 72 GLU H H 1 7.927 0.003 . 1 . . . . . 71 GLU HN . 18285 1 124 . 1 1 72 72 GLU N N 15 121.393 0.071 . 1 . . . . . 71 GLU N . 18285 1 125 . 1 1 73 73 ILE H H 1 7.417 0.002 . 1 . . . . . 72 ILE HN . 18285 1 126 . 1 1 73 73 ILE N N 15 121.229 0.061 . 1 . . . . . 72 ILE N . 18285 1 127 . 1 1 74 74 MET H H 1 8.549 0.002 . 1 . . . . . 73 MET HN . 18285 1 128 . 1 1 74 74 MET N N 15 120.436 0.064 . 1 . . . . . 73 MET N . 18285 1 129 . 1 1 75 75 THR H H 1 8.696 0.003 . 1 . . . . . 74 THR HN . 18285 1 130 . 1 1 75 75 THR N N 15 117.724 0.100 . 1 . . . . . 74 THR N . 18285 1 131 . 1 1 76 76 LYS H H 1 6.789 0.003 . 1 . . . . . 75 LYS HN . 18285 1 132 . 1 1 76 76 LYS N N 15 119.923 0.084 . 1 . . . . . 75 LYS N . 18285 1 133 . 1 1 77 77 ARG H H 1 8.689 0.015 . 1 . . . . . 76 ARG HN . 18285 1 134 . 1 1 77 77 ARG N N 15 122.891 0.183 . 1 . . . . . 76 ARG N . 18285 1 135 . 1 1 78 78 SER H H 1 8.069 0.007 . 1 . . . . . 77 SER HN . 18285 1 136 . 1 1 78 78 SER N N 15 110.980 0.092 . 1 . . . . . 77 SER N . 18285 1 137 . 1 1 79 79 ASN H H 1 8.312 0.007 . 1 . . . . . 78 ASN HN . 18285 1 138 . 1 1 79 79 ASN N N 15 120.940 0.102 . 1 . . . . . 78 ASN N . 18285 1 139 . 1 1 80 80 TYR H H 1 8.373 0.002 . 1 . . . . . 79 TYR HN . 18285 1 140 . 1 1 80 80 TYR N N 15 112.611 0.081 . 1 . . . . . 79 TYR N . 18285 1 141 . 1 1 81 81 THR H H 1 8.015 0.002 . 1 . . . . . 80 THR HN . 18285 1 142 . 1 1 81 81 THR N N 15 118.046 0.056 . 1 . . . . . 80 THR N . 18285 1 143 . 1 1 83 83 ILE H H 1 8.360 0.004 . 1 . . . . . 82 ILE HN . 18285 1 144 . 1 1 83 83 ILE N N 15 120.824 0.144 . 1 . . . . . 82 ILE N . 18285 1 145 . 1 1 84 84 THR H H 1 7.993 0.013 . 1 . . . . . 83 THR HN . 18285 1 146 . 1 1 84 84 THR N N 15 123.034 0.088 . 1 . . . . . 83 THR N . 18285 1 147 . 1 1 85 85 ASN H H 1 8.526 0.002 . 1 . . . . . 84 ASN HN . 18285 1 148 . 1 1 85 85 ASN N N 15 122.217 0.080 . 1 . . . . . 84 ASN N . 18285 1 149 . 1 1 86 86 VAL H H 1 9.204 0.003 . 1 . . . . . 85 VAL HN . 18285 1 150 . 1 1 86 86 VAL N N 15 126.559 0.104 . 1 . . . . . 85 VAL N . 18285 1 151 . 1 1 89 89 GLU H H 1 8.375 0.002 . 1 . . . . . 88 GLU HN . 18285 1 152 . 1 1 89 89 GLU N N 15 117.571 0.035 . 1 . . . . . 88 GLU N . 18285 1 153 . 1 1 90 90 VAL H H 1 8.523 0.003 . 1 . . . . . 89 VAL HN . 18285 1 154 . 1 1 90 90 VAL N N 15 124.985 0.097 . 1 . . . . . 89 VAL N . 18285 1 155 . 1 1 91 91 THR H H 1 8.847 0.005 . 1 . . . . . 90 THR HN . 18285 1 156 . 1 1 91 91 THR N N 15 122.719 0.113 . 1 . . . . . 90 THR N . 18285 1 157 . 1 1 92 92 VAL H H 1 8.717 0.005 . 1 . . . . . 91 VAL HN . 18285 1 158 . 1 1 92 92 VAL N N 15 124.717 0.093 . 1 . . . . . 91 VAL N . 18285 1 159 . 1 1 93 93 LEU H H 1 9.183 0.003 . 1 . . . . . 92 LEU HN . 18285 1 160 . 1 1 93 93 LEU N N 15 126.844 0.063 . 1 . . . . . 92 LEU N . 18285 1 161 . 1 1 94 94 THR H H 1 8.069 0.002 . 1 . . . . . 93 THR HN . 18285 1 162 . 1 1 94 94 THR N N 15 107.346 0.061 . 1 . . . . . 93 THR N . 18285 1 163 . 1 1 95 95 ASN H H 1 8.763 0.003 . 1 . . . . . 94 ASN HN . 18285 1 164 . 1 1 95 95 ASN N N 15 119.750 0.092 . 1 . . . . . 94 ASN N . 18285 1 165 . 1 1 96 96 SER H H 1 7.882 0.003 . 1 . . . . . 95 SER HN . 18285 1 166 . 1 1 96 96 SER N N 15 109.876 0.080 . 1 . . . . . 95 SER N . 18285 1 167 . 1 1 98 98 VAL H H 1 8.379 0.002 . 1 . . . . . 97 VAL HN . 18285 1 168 . 1 1 98 98 VAL N N 15 121.677 0.143 . 1 . . . . . 97 VAL N . 18285 1 169 . 1 1 99 99 GLU H H 1 8.943 0.005 . 1 . . . . . 98 GLU HN . 18285 1 170 . 1 1 99 99 GLU N N 15 127.212 0.096 . 1 . . . . . 98 GLU N . 18285 1 171 . 1 1 100 100 LEU H H 1 8.692 0.002 . 1 . . . . . 99 LEU HN . 18285 1 172 . 1 1 100 100 LEU N N 15 122.622 0.074 . 1 . . . . . 99 LEU N . 18285 1 173 . 1 1 101 101 ARG H H 1 8.440 0.002 . 1 . . . . . 100 ARG HN . 18285 1 174 . 1 1 101 101 ARG N N 15 113.436 0.062 . 1 . . . . . 100 ARG N . 18285 1 175 . 1 1 102 102 GLU H H 1 7.632 0.002 . 1 . . . . . 101 GLU HN . 18285 1 176 . 1 1 102 102 GLU N N 15 120.408 0.074 . 1 . . . . . 101 GLU N . 18285 1 177 . 1 1 104 104 ASN H H 1 8.559 0.007 . 1 . . . . . 103 ASN HN . 18285 1 178 . 1 1 104 104 ASN N N 15 123.925 0.067 . 1 . . . . . 103 ASN N . 18285 1 179 . 1 1 105 105 VAL H H 1 10.654 0.003 . 1 . . . . . 104 VAL HN . 18285 1 180 . 1 1 105 105 VAL N N 15 124.178 0.078 . 1 . . . . . 104 VAL N . 18285 1 181 . 1 1 106 106 LEU H H 1 8.477 0.002 . 1 . . . . . 105 LEU HN . 18285 1 182 . 1 1 106 106 LEU N N 15 130.249 0.085 . 1 . . . . . 105 LEU N . 18285 1 183 . 1 1 107 107 ILE H H 1 9.189 0.001 . 1 . . . . . 106 ILE HN . 18285 1 184 . 1 1 107 107 ILE N N 15 121.912 0.107 . 1 . . . . . 106 ILE N . 18285 1 185 . 1 1 108 108 CYS H H 1 9.520 0.004 . 1 . . . . . 107 CYS HN . 18285 1 186 . 1 1 108 108 CYS N N 15 127.268 0.110 . 1 . . . . . 107 CYS N . 18285 1 187 . 1 1 109 109 PHE H H 1 9.448 0.002 . 1 . . . . . 108 PHE HN . 18285 1 188 . 1 1 109 109 PHE N N 15 128.198 0.106 . 1 . . . . . 108 PHE N . 18285 1 189 . 1 1 110 110 ILE H H 1 8.427 0.002 . 1 . . . . . 109 ILE HN . 18285 1 190 . 1 1 110 110 ILE N N 15 128.602 0.085 . 1 . . . . . 109 ILE N . 18285 1 191 . 1 1 111 111 ASP H H 1 8.763 0.003 . 1 . . . . . 110 ASP HN . 18285 1 192 . 1 1 111 111 ASP N N 15 124.771 0.075 . 1 . . . . . 110 ASP N . 18285 1 193 . 1 1 112 112 LYS H H 1 8.157 0.002 . 1 . . . . . 111 LYS HN . 18285 1 194 . 1 1 112 112 LYS N N 15 119.617 0.051 . 1 . . . . . 111 LYS N . 18285 1 195 . 1 1 113 113 PHE H H 1 7.412 0.002 . 1 . . . . . 112 PHE HN . 18285 1 196 . 1 1 113 113 PHE N N 15 109.657 0.065 . 1 . . . . . 112 PHE N . 18285 1 197 . 1 1 114 114 THR H H 1 8.483 0.002 . 1 . . . . . 113 THR HN . 18285 1 198 . 1 1 114 114 THR N N 15 113.430 0.064 . 1 . . . . . 113 THR N . 18285 1 199 . 1 1 117 117 VAL H H 1 7.784 0.002 . 1 . . . . . 116 VAL HN . 18285 1 200 . 1 1 117 117 VAL N N 15 121.999 0.081 . 1 . . . . . 116 VAL N . 18285 1 201 . 1 1 118 118 VAL H H 1 8.548 0.004 . 1 . . . . . 117 VAL HN . 18285 1 202 . 1 1 118 118 VAL N N 15 122.896 0.125 . 1 . . . . . 117 VAL N . 18285 1 203 . 1 1 119 119 ASN H H 1 7.887 0.005 . 1 . . . . . 118 ASN HN . 18285 1 204 . 1 1 119 119 ASN N N 15 121.787 0.062 . 1 . . . . . 118 ASN N . 18285 1 205 . 1 1 120 120 VAL H H 1 8.616 0.003 . 1 . . . . . 119 VAL HN . 18285 1 206 . 1 1 120 120 VAL N N 15 127.637 0.065 . 1 . . . . . 119 VAL N . 18285 1 207 . 1 1 121 121 THR H H 1 8.830 0.002 . 1 . . . . . 120 THR HN . 18285 1 208 . 1 1 121 121 THR N N 15 123.127 0.039 . 1 . . . . . 120 THR N . 18285 1 209 . 1 1 122 122 TRP H H 1 9.369 0.003 . 1 . . . . . 121 TRP HN . 18285 1 210 . 1 1 122 122 TRP N N 15 126.328 0.126 . 1 . . . . . 121 TRP N . 18285 1 211 . 1 1 123 123 LEU H H 1 9.537 0.003 . 1 . . . . . 122 LEU HN . 18285 1 212 . 1 1 123 123 LEU N N 15 120.610 0.056 . 1 . . . . . 122 LEU N . 18285 1 213 . 1 1 124 124 ARG H H 1 9.187 0.002 . 1 . . . . . 123 ARG HN . 18285 1 214 . 1 1 124 124 ARG N N 15 122.962 0.060 . 1 . . . . . 123 ARG N . 18285 1 215 . 1 1 125 125 ASN H H 1 9.468 0.002 . 1 . . . . . 124 ASN HN . 18285 1 216 . 1 1 125 125 ASN N N 15 128.817 0.073 . 1 . . . . . 124 ASN N . 18285 1 217 . 1 1 126 126 GLY H H 1 9.185 0.004 . 1 . . . . . 125 GLY HN . 18285 1 218 . 1 1 126 126 GLY N N 15 102.413 0.136 . 1 . . . . . 125 GLY N . 18285 1 219 . 1 1 127 127 LYS H H 1 7.866 0.011 . 1 . . . . . 126 LYS HN . 18285 1 220 . 1 1 127 127 LYS N N 15 121.438 0.070 . 1 . . . . . 126 LYS N . 18285 1 221 . 1 1 129 129 VAL H H 1 8.891 0.002 . 1 . . . . . 128 VAL HN . 18285 1 222 . 1 1 129 129 VAL N N 15 124.201 0.084 . 1 . . . . . 128 VAL N . 18285 1 223 . 1 1 130 130 THR H H 1 8.767 0.004 . 1 . . . . . 129 THR HN . 18285 1 224 . 1 1 130 130 THR N N 15 114.126 0.053 . 1 . . . . . 129 THR N . 18285 1 225 . 1 1 131 131 THR H H 1 7.626 0.002 . 1 . . . . . 130 THR HN . 18285 1 226 . 1 1 131 131 THR N N 15 117.119 0.056 . 1 . . . . . 130 THR N . 18285 1 227 . 1 1 133 133 VAL H H 1 7.106 0.002 . 1 . . . . . 132 VAL HN . 18285 1 228 . 1 1 133 133 VAL N N 15 113.304 0.068 . 1 . . . . . 132 VAL N . 18285 1 229 . 1 1 134 134 SER H H 1 8.651 0.002 . 1 . . . . . 133 SER HN . 18285 1 230 . 1 1 134 134 SER N N 15 115.157 0.092 . 1 . . . . . 133 SER N . 18285 1 231 . 1 1 135 135 GLU H H 1 8.619 0.003 . 1 . . . . . 134 GLU HN . 18285 1 232 . 1 1 135 135 GLU N N 15 115.252 0.068 . 1 . . . . . 134 GLU N . 18285 1 233 . 1 1 136 136 THR H H 1 8.692 0.002 . 1 . . . . . 135 THR HN . 18285 1 234 . 1 1 136 136 THR N N 15 110.954 0.077 . 1 . . . . . 135 THR N . 18285 1 235 . 1 1 141 141 ARG H H 1 6.936 0.003 . 1 . . . . . 140 ARG HN . 18285 1 236 . 1 1 141 141 ARG N N 15 115.371 0.080 . 1 . . . . . 140 ARG N . 18285 1 237 . 1 1 142 142 GLU H H 1 8.701 0.003 . 1 . . . . . 141 GLU HN . 18285 1 238 . 1 1 142 142 GLU N N 15 120.027 0.125 . 1 . . . . . 141 GLU N . 18285 1 239 . 1 1 143 143 ASP H H 1 7.083 0.001 . 1 . . . . . 142 ASP HN . 18285 1 240 . 1 1 143 143 ASP N N 15 114.049 0.074 . 1 . . . . . 142 ASP N . 18285 1 241 . 1 1 144 144 HIS H H 1 7.612 0.003 . 1 . . . . . 143 HIS HN . 18285 1 242 . 1 1 144 144 HIS N N 15 110.829 0.056 . 1 . . . . . 143 HIS N . 18285 1 243 . 1 1 145 145 LEU H H 1 6.931 0.007 . 1 . . . . . 144 LEU HN . 18285 1 244 . 1 1 145 145 LEU N N 15 118.329 0.054 . 1 . . . . . 144 LEU N . 18285 1 245 . 1 1 146 146 PHE H H 1 8.045 0.002 . 1 . . . . . 145 PHE HN . 18285 1 246 . 1 1 146 146 PHE N N 15 115.107 0.053 . 1 . . . . . 145 PHE N . 18285 1 247 . 1 1 147 147 ARG H H 1 8.625 0.004 . 1 . . . . . 146 ARG HN . 18285 1 248 . 1 1 147 147 ARG N N 15 113.660 0.067 . 1 . . . . . 146 ARG N . 18285 1 249 . 1 1 148 148 LYS H H 1 9.390 0.003 . 1 . . . . . 147 LYS HN . 18285 1 250 . 1 1 148 148 LYS N N 15 122.828 0.073 . 1 . . . . . 147 LYS N . 18285 1 251 . 1 1 149 149 PHE H H 1 8.215 0.009 . 1 . . . . . 148 PHE HN . 18285 1 252 . 1 1 149 149 PHE N N 15 120.438 0.082 . 1 . . . . . 148 PHE N . 18285 1 253 . 1 1 154 154 PHE H H 1 8.874 0.002 . 1 . . . . . 153 PHE HN . 18285 1 254 . 1 1 154 154 PHE N N 15 121.910 0.142 . 1 . . . . . 153 PHE N . 18285 1 255 . 1 1 155 155 LEU H H 1 8.433 0.003 . 1 . . . . . 154 LEU HN . 18285 1 256 . 1 1 155 155 LEU N N 15 121.974 0.078 . 1 . . . . . 154 LEU N . 18285 1 257 . 1 1 157 157 SER H H 1 9.155 0.005 . 1 . . . . . 156 SER HN . 18285 1 258 . 1 1 157 157 SER N N 15 118.817 0.065 . 1 . . . . . 156 SER N . 18285 1 259 . 1 1 158 158 THR H H 1 8.439 0.004 . 1 . . . . . 157 THR HN . 18285 1 260 . 1 1 158 158 THR N N 15 113.188 0.116 . 1 . . . . . 157 THR N . 18285 1 261 . 1 1 159 159 GLU H H 1 8.361 0.003 . 1 . . . . . 158 GLU HN . 18285 1 262 . 1 1 159 159 GLU N N 15 117.969 0.102 . 1 . . . . . 158 GLU N . 18285 1 263 . 1 1 160 160 ASP H H 1 6.988 0.002 . 1 . . . . . 159 ASP HN . 18285 1 264 . 1 1 160 160 ASP N N 15 116.281 0.075 . 1 . . . . . 159 ASP N . 18285 1 265 . 1 1 161 161 VAL H H 1 8.429 0.002 . 1 . . . . . 160 VAL HN . 18285 1 266 . 1 1 161 161 VAL N N 15 115.330 0.060 . 1 . . . . . 160 VAL N . 18285 1 267 . 1 1 162 162 TYR H H 1 8.621 0.002 . 1 . . . . . 161 TYR HN . 18285 1 268 . 1 1 162 162 TYR N N 15 119.155 0.079 . 1 . . . . . 161 TYR N . 18285 1 269 . 1 1 163 163 ASP H H 1 9.167 0.003 . 1 . . . . . 162 ASP HN . 18285 1 270 . 1 1 163 163 ASP N N 15 115.530 0.067 . 1 . . . . . 162 ASP N . 18285 1 271 . 1 1 164 164 CYS H H 1 9.191 0.003 . 1 . . . . . 163 CYS HN . 18285 1 272 . 1 1 164 164 CYS N N 15 121.375 0.111 . 1 . . . . . 163 CYS N . 18285 1 273 . 1 1 165 165 ARG H H 1 8.890 0.002 . 1 . . . . . 164 ARG HN . 18285 1 274 . 1 1 165 165 ARG N N 15 128.632 0.079 . 1 . . . . . 164 ARG N . 18285 1 275 . 1 1 166 166 VAL H H 1 9.266 0.003 . 1 . . . . . 165 VAL HN . 18285 1 276 . 1 1 166 166 VAL N N 15 128.785 0.077 . 1 . . . . . 165 VAL N . 18285 1 277 . 1 1 167 167 GLU H H 1 8.511 0.003 . 1 . . . . . 166 GLU HN . 18285 1 278 . 1 1 167 167 GLU N N 15 124.436 0.109 . 1 . . . . . 166 GLU N . 18285 1 279 . 1 1 168 168 HIS H H 1 7.865 0.004 . 1 . . . . . 167 HIS HN . 18285 1 280 . 1 1 168 168 HIS N N 15 121.133 0.115 . 1 . . . . . 167 HIS N . 18285 1 281 . 1 1 169 169 TRP H H 1 7.451 0.002 . 1 . . . . . 168 TRP HN . 18285 1 282 . 1 1 169 169 TRP N N 15 125.461 0.065 . 1 . . . . . 168 TRP N . 18285 1 283 . 1 1 170 170 GLY H H 1 10.672 0.006 . 1 . . . . . 169 GLY HN . 18285 1 284 . 1 1 170 170 GLY N N 15 107.809 0.066 . 1 . . . . . 169 GLY N . 18285 1 285 . 1 1 171 171 LEU H H 1 8.156 0.002 . 1 . . . . . 170 LEU HN . 18285 1 286 . 1 1 171 171 LEU N N 15 121.278 0.117 . 1 . . . . . 170 LEU N . 18285 1 287 . 1 1 172 172 ASP H H 1 8.795 0.003 . 1 . . . . . 171 ASP HN . 18285 1 288 . 1 1 172 172 ASP N N 15 121.579 0.049 . 1 . . . . . 171 ASP N . 18285 1 289 . 1 1 173 173 GLU H H 1 7.603 0.001 . 1 . . . . . 172 GLU HN . 18285 1 290 . 1 1 173 173 GLU N N 15 115.922 0.077 . 1 . . . . . 172 GLU N . 18285 1 291 . 1 1 175 175 LEU H H 1 8.606 0.003 . 1 . . . . . 174 LEU HN . 18285 1 292 . 1 1 175 175 LEU N N 15 125.703 0.058 . 1 . . . . . 174 LEU N . 18285 1 293 . 1 1 176 176 LEU H H 1 8.503 0.005 . 1 . . . . . 175 LEU HN . 18285 1 294 . 1 1 176 176 LEU N N 15 125.384 0.087 . 1 . . . . . 175 LEU N . 18285 1 295 . 1 1 177 177 LYS H H 1 8.594 0.003 . 1 . . . . . 176 LYS HN . 18285 1 296 . 1 1 177 177 LYS N N 15 124.077 0.070 . 1 . . . . . 176 LYS N . 18285 1 297 . 1 1 178 178 HIS H H 1 8.728 0.003 . 1 . . . . . 177 HIS HN . 18285 1 298 . 1 1 178 178 HIS N N 15 125.319 0.076 . 1 . . . . . 177 HIS N . 18285 1 299 . 1 1 179 179 TRP H H 1 9.089 0.002 . 1 . . . . . 178 TRP HN . 18285 1 300 . 1 1 179 179 TRP N N 15 127.064 0.082 . 1 . . . . . 178 TRP N . 18285 1 301 . 1 1 180 180 GLU H H 1 6.692 0.002 . 1 . . . . . 179 GLU HN . 18285 1 302 . 1 1 180 180 GLU N N 15 121.639 0.060 . 1 . . . . . 179 GLU N . 18285 1 303 . 1 1 181 181 PHE H H 1 8.694 0.003 . 1 . . . . . 180 PHE HN . 18285 1 304 . 1 1 181 181 PHE N N 15 121.205 0.083 . 1 . . . . . 180 PHE N . 18285 1 305 . 1 1 182 182 ASP H H 1 8.022 0.002 . 1 . . . . . 181 ASP HN . 18285 1 306 . 1 1 182 182 ASP N N 15 122.775 0.078 . 1 . . . . . 181 ASP N . 18285 1 307 . 1 1 183 183 ALA H H 1 7.408 0.001 . 1 . . . . . 182 ALA HN . 18285 1 308 . 1 1 183 183 ALA N N 15 123.974 0.081 . 1 . . . . . 182 ALA N . 18285 1 309 . 1 1 189 189 GLU H H 1 8.500 0.003 . 1 . . . . . 188 GLU HN . 18285 1 310 . 1 1 189 189 GLU N N 15 120.638 0.066 . 1 . . . . . 188 GLU N . 18285 1 311 . 1 1 190 190 THR H H 1 8.228 0.003 . 1 . . . . . 189 THR HN . 18285 1 312 . 1 1 190 190 THR N N 15 114.991 0.059 . 1 . . . . . 189 THR N . 18285 1 313 . 1 1 191 191 THR H H 1 8.225 0.003 . 1 . . . . . 190 THR HN . 18285 1 314 . 1 1 191 191 THR N N 15 116.042 0.068 . 1 . . . . . 190 THR N . 18285 1 315 . 1 1 192 192 GLU H H 1 8.405 0.003 . 1 . . . . . 191 GLU HN . 18285 1 316 . 1 1 192 192 GLU N N 15 123.198 0.072 . 1 . . . . . 191 GLU N . 18285 1 317 . 1 1 193 193 ASN H H 1 8.049 0.002 . 1 . . . . . 192 ASN HN . 18285 1 318 . 1 1 193 193 ASN N N 15 124.843 0.093 . 1 . . . . . 192 ASN N . 18285 1 stop_ save_