data_51823 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51823 _Entry.Title ; Backbone assignment of MAGEA4-MHD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-02-05 _Entry.Accession_date 2023-02-05 _Entry.Last_release_date 2023-02-06 _Entry.Original_release_date 2023-02-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Lucia Alvarez . . . 0000-0002-1437-5773 51823 2 Janosch Hennig . . . 0000-0001-5214-7002 51823 3 Bernd Simon . . . 0000-0003-0164-5516 51823 4 Kristian Schweimer . . . 0000-0002-3837-8442 51823 5 Simonne Griffith-Jones . . . . 51823 6 Sagar Bhogaraju . . . 0000-0001-9998-5927 51823 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51823 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 170 51823 '1H chemical shifts' 170 51823 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2024-04-25 2023-02-05 update BMRB 'update entry citation' 51823 1 . . 2024-02-06 2023-02-05 original author 'original release' 51823 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51822 'MAGEA4-MHD, in complex with RAD18-R6BD' 51823 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51823 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38448672 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis for RAD18 regulation by MAGEA4 and its implications for RING ubiquitin ligase binding by MAGE family proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1460-2075 _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 1273 _Citation.Page_last 1300 _Citation.Year 2024 _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 Simonne Griffith-Jones S. . . . 51823 1 2 Lucia Alvarez L. . . . 51823 1 3 Urbi Mukhopadhyay U. . . . 51823 1 4 Sarah Gharbi S. . . . 51823 1 5 Mandy Rettel M. . . . 51823 1 6 Michael Adams M. . . . 51823 1 7 Janosch Hennig J. . . . 51823 1 8 Sagar Bhogaraju S. . . . 51823 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51823 _Assembly.ID 1 _Assembly.Name MAGEA4-MHD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 26877.74 _Assembly.Enzyme_commission_number . _Assembly.Details 'Tumor antigen' _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 MAGEA4-MHD 1 $entity_1 . . yes native no no . . . 51823 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 1I4F . . X-ray 1.40 . . 51823 1 yes PDB 2WA0 . . X-ray 2.3 . . 51823 1 yes PDB 6TRN . . X-ray 1.35 . . 51823 1 yes PDB 6TRO . . X-ray 3 . . 51823 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Melanoma-associated antigen 4' 51823 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51823 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKHHHHHHSAGLEVLFQGPD AESLFREALSNKVDELAHFL LRKYRAKELVTKAEMLERVI KNYKRCFPVIFGKASESLKM IFGIDVKEVDPTSNTYTLVT CLGLSYDGLLGNNQIFPKTG LLIIVLGTIAMEGDSASEEE IWEELGVMGVYDGREHTVYG EPRKLLTQDWVQENYLEYRQ VPGSNPARYEFLWGPRALAE TSYVKVLEHVVRVNARVRIA YPSLREAALLEEEEGV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 1,M 236,V ; _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 236 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation ; N-terminal non-native tag (6-HIS), LEVLFQGP is the 3C cleavege site and SAG comes from the expression vector. A173T (using uniprot numbering or A92T in the sequence number). ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26877.74 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P43358 . MAGA4_HUMAN . . . . . . . . . . . . . . 51823 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Tumor antigen' 51823 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51823 1 2 . LYS . 51823 1 3 . HIS . 51823 1 4 . HIS . 51823 1 5 . HIS . 51823 1 6 . HIS . 51823 1 7 . HIS . 51823 1 8 . HIS . 51823 1 9 . SER . 51823 1 10 . ALA . 51823 1 11 . GLY . 51823 1 12 . LEU . 51823 1 13 . GLU . 51823 1 14 . VAL . 51823 1 15 . LEU . 51823 1 16 . PHE . 51823 1 17 . GLN . 51823 1 18 . GLY . 51823 1 19 . PRO . 51823 1 20 . ASP . 51823 1 21 . ALA . 51823 1 22 . GLU . 51823 1 23 . SER . 51823 1 24 . LEU . 51823 1 25 . PHE . 51823 1 26 . ARG . 51823 1 27 . GLU . 51823 1 28 . ALA . 51823 1 29 . LEU . 51823 1 30 . SER . 51823 1 31 . ASN . 51823 1 32 . LYS . 51823 1 33 . VAL . 51823 1 34 . ASP . 51823 1 35 . GLU . 51823 1 36 . LEU . 51823 1 37 . ALA . 51823 1 38 . HIS . 51823 1 39 . PHE . 51823 1 40 . LEU . 51823 1 41 . LEU . 51823 1 42 . ARG . 51823 1 43 . LYS . 51823 1 44 . TYR . 51823 1 45 . ARG . 51823 1 46 . ALA . 51823 1 47 . LYS . 51823 1 48 . GLU . 51823 1 49 . LEU . 51823 1 50 . VAL . 51823 1 51 . THR . 51823 1 52 . LYS . 51823 1 53 . ALA . 51823 1 54 . GLU . 51823 1 55 . MET . 51823 1 56 . LEU . 51823 1 57 . GLU . 51823 1 58 . ARG . 51823 1 59 . VAL . 51823 1 60 . ILE . 51823 1 61 . LYS . 51823 1 62 . ASN . 51823 1 63 . TYR . 51823 1 64 . LYS . 51823 1 65 . ARG . 51823 1 66 . CYS . 51823 1 67 . PHE . 51823 1 68 . PRO . 51823 1 69 . VAL . 51823 1 70 . ILE . 51823 1 71 . PHE . 51823 1 72 . GLY . 51823 1 73 . LYS . 51823 1 74 . ALA . 51823 1 75 . SER . 51823 1 76 . GLU . 51823 1 77 . SER . 51823 1 78 . LEU . 51823 1 79 . LYS . 51823 1 80 . MET . 51823 1 81 . ILE . 51823 1 82 . PHE . 51823 1 83 . GLY . 51823 1 84 . ILE . 51823 1 85 . ASP . 51823 1 86 . VAL . 51823 1 87 . LYS . 51823 1 88 . GLU . 51823 1 89 . VAL . 51823 1 90 . ASP . 51823 1 91 . PRO . 51823 1 92 . THR . 51823 1 93 . SER . 51823 1 94 . ASN . 51823 1 95 . THR . 51823 1 96 . TYR . 51823 1 97 . THR . 51823 1 98 . LEU . 51823 1 99 . VAL . 51823 1 100 . THR . 51823 1 101 . CYS . 51823 1 102 . LEU . 51823 1 103 . GLY . 51823 1 104 . LEU . 51823 1 105 . SER . 51823 1 106 . TYR . 51823 1 107 . ASP . 51823 1 108 . GLY . 51823 1 109 . LEU . 51823 1 110 . LEU . 51823 1 111 . GLY . 51823 1 112 . ASN . 51823 1 113 . ASN . 51823 1 114 . GLN . 51823 1 115 . ILE . 51823 1 116 . PHE . 51823 1 117 . PRO . 51823 1 118 . LYS . 51823 1 119 . THR . 51823 1 120 . GLY . 51823 1 121 . LEU . 51823 1 122 . LEU . 51823 1 123 . ILE . 51823 1 124 . ILE . 51823 1 125 . VAL . 51823 1 126 . LEU . 51823 1 127 . GLY . 51823 1 128 . THR . 51823 1 129 . ILE . 51823 1 130 . ALA . 51823 1 131 . MET . 51823 1 132 . GLU . 51823 1 133 . GLY . 51823 1 134 . ASP . 51823 1 135 . SER . 51823 1 136 . ALA . 51823 1 137 . SER . 51823 1 138 . GLU . 51823 1 139 . GLU . 51823 1 140 . GLU . 51823 1 141 . ILE . 51823 1 142 . TRP . 51823 1 143 . GLU . 51823 1 144 . GLU . 51823 1 145 . LEU . 51823 1 146 . GLY . 51823 1 147 . VAL . 51823 1 148 . MET . 51823 1 149 . GLY . 51823 1 150 . VAL . 51823 1 151 . TYR . 51823 1 152 . ASP . 51823 1 153 . GLY . 51823 1 154 . ARG . 51823 1 155 . GLU . 51823 1 156 . HIS . 51823 1 157 . THR . 51823 1 158 . VAL . 51823 1 159 . TYR . 51823 1 160 . GLY . 51823 1 161 . GLU . 51823 1 162 . PRO . 51823 1 163 . ARG . 51823 1 164 . LYS . 51823 1 165 . LEU . 51823 1 166 . LEU . 51823 1 167 . THR . 51823 1 168 . GLN . 51823 1 169 . ASP . 51823 1 170 . TRP . 51823 1 171 . VAL . 51823 1 172 . GLN . 51823 1 173 . GLU . 51823 1 174 . ASN . 51823 1 175 . TYR . 51823 1 176 . LEU . 51823 1 177 . GLU . 51823 1 178 . TYR . 51823 1 179 . ARG . 51823 1 180 . GLN . 51823 1 181 . VAL . 51823 1 182 . PRO . 51823 1 183 . GLY . 51823 1 184 . SER . 51823 1 185 . ASN . 51823 1 186 . PRO . 51823 1 187 . ALA . 51823 1 188 . ARG . 51823 1 189 . TYR . 51823 1 190 . GLU . 51823 1 191 . PHE . 51823 1 192 . LEU . 51823 1 193 . TRP . 51823 1 194 . GLY . 51823 1 195 . PRO . 51823 1 196 . ARG . 51823 1 197 . ALA . 51823 1 198 . LEU . 51823 1 199 . ALA . 51823 1 200 . GLU . 51823 1 201 . THR . 51823 1 202 . SER . 51823 1 203 . TYR . 51823 1 204 . VAL . 51823 1 205 . LYS . 51823 1 206 . VAL . 51823 1 207 . LEU . 51823 1 208 . GLU . 51823 1 209 . HIS . 51823 1 210 . VAL . 51823 1 211 . VAL . 51823 1 212 . ARG . 51823 1 213 . VAL . 51823 1 214 . ASN . 51823 1 215 . ALA . 51823 1 216 . ARG . 51823 1 217 . VAL . 51823 1 218 . ARG . 51823 1 219 . ILE . 51823 1 220 . ALA . 51823 1 221 . TYR . 51823 1 222 . PRO . 51823 1 223 . SER . 51823 1 224 . LEU . 51823 1 225 . ARG . 51823 1 226 . GLU . 51823 1 227 . ALA . 51823 1 228 . ALA . 51823 1 229 . LEU . 51823 1 230 . LEU . 51823 1 231 . GLU . 51823 1 232 . GLU . 51823 1 233 . GLU . 51823 1 234 . GLU . 51823 1 235 . GLY . 51823 1 236 . VAL . 51823 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 51823 1 . LYS 2 2 51823 1 . HIS 3 3 51823 1 . HIS 4 4 51823 1 . HIS 5 5 51823 1 . HIS 6 6 51823 1 . HIS 7 7 51823 1 . HIS 8 8 51823 1 . SER 9 9 51823 1 . ALA 10 10 51823 1 . GLY 11 11 51823 1 . LEU 12 12 51823 1 . GLU 13 13 51823 1 . VAL 14 14 51823 1 . LEU 15 15 51823 1 . PHE 16 16 51823 1 . GLN 17 17 51823 1 . GLY 18 18 51823 1 . PRO 19 19 51823 1 . ASP 20 20 51823 1 . ALA 21 21 51823 1 . GLU 22 22 51823 1 . SER 23 23 51823 1 . LEU 24 24 51823 1 . PHE 25 25 51823 1 . ARG 26 26 51823 1 . GLU 27 27 51823 1 . ALA 28 28 51823 1 . LEU 29 29 51823 1 . SER 30 30 51823 1 . ASN 31 31 51823 1 . LYS 32 32 51823 1 . VAL 33 33 51823 1 . ASP 34 34 51823 1 . GLU 35 35 51823 1 . LEU 36 36 51823 1 . ALA 37 37 51823 1 . HIS 38 38 51823 1 . PHE 39 39 51823 1 . LEU 40 40 51823 1 . LEU 41 41 51823 1 . ARG 42 42 51823 1 . LYS 43 43 51823 1 . TYR 44 44 51823 1 . ARG 45 45 51823 1 . ALA 46 46 51823 1 . LYS 47 47 51823 1 . GLU 48 48 51823 1 . LEU 49 49 51823 1 . VAL 50 50 51823 1 . THR 51 51 51823 1 . LYS 52 52 51823 1 . ALA 53 53 51823 1 . GLU 54 54 51823 1 . MET 55 55 51823 1 . LEU 56 56 51823 1 . GLU 57 57 51823 1 . ARG 58 58 51823 1 . VAL 59 59 51823 1 . ILE 60 60 51823 1 . LYS 61 61 51823 1 . ASN 62 62 51823 1 . TYR 63 63 51823 1 . LYS 64 64 51823 1 . ARG 65 65 51823 1 . CYS 66 66 51823 1 . PHE 67 67 51823 1 . PRO 68 68 51823 1 . VAL 69 69 51823 1 . ILE 70 70 51823 1 . PHE 71 71 51823 1 . GLY 72 72 51823 1 . LYS 73 73 51823 1 . ALA 74 74 51823 1 . SER 75 75 51823 1 . GLU 76 76 51823 1 . SER 77 77 51823 1 . LEU 78 78 51823 1 . LYS 79 79 51823 1 . MET 80 80 51823 1 . ILE 81 81 51823 1 . PHE 82 82 51823 1 . GLY 83 83 51823 1 . ILE 84 84 51823 1 . ASP 85 85 51823 1 . VAL 86 86 51823 1 . LYS 87 87 51823 1 . GLU 88 88 51823 1 . VAL 89 89 51823 1 . ASP 90 90 51823 1 . PRO 91 91 51823 1 . THR 92 92 51823 1 . SER 93 93 51823 1 . ASN 94 94 51823 1 . THR 95 95 51823 1 . TYR 96 96 51823 1 . THR 97 97 51823 1 . LEU 98 98 51823 1 . VAL 99 99 51823 1 . THR 100 100 51823 1 . CYS 101 101 51823 1 . LEU 102 102 51823 1 . GLY 103 103 51823 1 . LEU 104 104 51823 1 . SER 105 105 51823 1 . TYR 106 106 51823 1 . ASP 107 107 51823 1 . GLY 108 108 51823 1 . LEU 109 109 51823 1 . LEU 110 110 51823 1 . GLY 111 111 51823 1 . ASN 112 112 51823 1 . ASN 113 113 51823 1 . GLN 114 114 51823 1 . ILE 115 115 51823 1 . PHE 116 116 51823 1 . PRO 117 117 51823 1 . LYS 118 118 51823 1 . THR 119 119 51823 1 . GLY 120 120 51823 1 . LEU 121 121 51823 1 . LEU 122 122 51823 1 . ILE 123 123 51823 1 . ILE 124 124 51823 1 . VAL 125 125 51823 1 . LEU 126 126 51823 1 . GLY 127 127 51823 1 . THR 128 128 51823 1 . ILE 129 129 51823 1 . ALA 130 130 51823 1 . MET 131 131 51823 1 . GLU 132 132 51823 1 . GLY 133 133 51823 1 . ASP 134 134 51823 1 . SER 135 135 51823 1 . ALA 136 136 51823 1 . SER 137 137 51823 1 . GLU 138 138 51823 1 . GLU 139 139 51823 1 . GLU 140 140 51823 1 . ILE 141 141 51823 1 . TRP 142 142 51823 1 . GLU 143 143 51823 1 . GLU 144 144 51823 1 . LEU 145 145 51823 1 . GLY 146 146 51823 1 . VAL 147 147 51823 1 . MET 148 148 51823 1 . GLY 149 149 51823 1 . VAL 150 150 51823 1 . TYR 151 151 51823 1 . ASP 152 152 51823 1 . GLY 153 153 51823 1 . ARG 154 154 51823 1 . GLU 155 155 51823 1 . HIS 156 156 51823 1 . THR 157 157 51823 1 . VAL 158 158 51823 1 . TYR 159 159 51823 1 . GLY 160 160 51823 1 . GLU 161 161 51823 1 . PRO 162 162 51823 1 . ARG 163 163 51823 1 . LYS 164 164 51823 1 . LEU 165 165 51823 1 . LEU 166 166 51823 1 . THR 167 167 51823 1 . GLN 168 168 51823 1 . ASP 169 169 51823 1 . TRP 170 170 51823 1 . VAL 171 171 51823 1 . GLN 172 172 51823 1 . GLU 173 173 51823 1 . ASN 174 174 51823 1 . TYR 175 175 51823 1 . LEU 176 176 51823 1 . GLU 177 177 51823 1 . TYR 178 178 51823 1 . ARG 179 179 51823 1 . GLN 180 180 51823 1 . VAL 181 181 51823 1 . PRO 182 182 51823 1 . GLY 183 183 51823 1 . SER 184 184 51823 1 . ASN 185 185 51823 1 . PRO 186 186 51823 1 . ALA 187 187 51823 1 . ARG 188 188 51823 1 . TYR 189 189 51823 1 . GLU 190 190 51823 1 . PHE 191 191 51823 1 . LEU 192 192 51823 1 . TRP 193 193 51823 1 . GLY 194 194 51823 1 . PRO 195 195 51823 1 . ARG 196 196 51823 1 . ALA 197 197 51823 1 . LEU 198 198 51823 1 . ALA 199 199 51823 1 . GLU 200 200 51823 1 . THR 201 201 51823 1 . SER 202 202 51823 1 . TYR 203 203 51823 1 . VAL 204 204 51823 1 . LYS 205 205 51823 1 . VAL 206 206 51823 1 . LEU 207 207 51823 1 . GLU 208 208 51823 1 . HIS 209 209 51823 1 . VAL 210 210 51823 1 . VAL 211 211 51823 1 . ARG 212 212 51823 1 . VAL 213 213 51823 1 . ASN 214 214 51823 1 . ALA 215 215 51823 1 . ARG 216 216 51823 1 . VAL 217 217 51823 1 . ARG 218 218 51823 1 . ILE 219 219 51823 1 . ALA 220 220 51823 1 . TYR 221 221 51823 1 . PRO 222 222 51823 1 . SER 223 223 51823 1 . LEU 224 224 51823 1 . ARG 225 225 51823 1 . GLU 226 226 51823 1 . ALA 227 227 51823 1 . ALA 228 228 51823 1 . LEU 229 229 51823 1 . LEU 230 230 51823 1 . GLU 231 231 51823 1 . GLU 232 232 51823 1 . GLU 233 233 51823 1 . GLU 234 234 51823 1 . GLY 235 235 51823 1 . VAL 236 236 51823 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51823 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51823 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51823 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pCoofy1 . . . 51823 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51823 _Sample.ID 1 _Sample.Name 'Triple-labeled MAGE-MHD' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer composition 200 mM NaCl, 20 mM HEPES pH 7.5 and 1 mM TCEP' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MAGEA4-MHD '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 174 . . uM . . . . 51823 1 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 51823 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 51823 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51823 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 51823 _Sample_condition_list.ID 1 _Sample_condition_list.Name Buffer _Sample_condition_list.Details '200 mM NaCl, 20 mM HEPES pH 7.5 and 1 mM TCEP' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 51823 1 pH 7.5 . pH 51823 1 pressure 1 . atm 51823 1 temperature 298 . K 51823 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51823 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51823 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51823 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51823 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51823 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NMR_spectrometer_1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51823 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51823 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51823 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51823 1 4 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51823 1 5 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51823 1 6 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51823 1 7 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51823 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51823 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name MAGEA4-MHD _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 water protons . . . . ppm 4.706 internal direct 1 . . . . . 51823 1 N 15 water protons . . . . ppm 4.706 internal indirect 0.101329118 . . . . . 51823 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51823 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name MAGEA4-MHD _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51823 1 2 '3D HNCA' . . . 51823 1 3 '3D HNCACB' . . . 51823 1 4 '3D HNCO' . . . 51823 1 5 '3D CBCA(CO)NH' . . . 51823 1 6 '3D HN(CA)CO' . . . 51823 1 7 '3D HN(CO)CACB' . . . 51823 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51823 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 10 10 ALA H H 1 8.134 . . . . . . . . 10 A H . 51823 1 2 . 1 . 1 10 10 ALA N N 15 126.204 . . . . . . . . 10 A N . 51823 1 3 . 1 . 1 11 11 GLY H H 1 8.203 . . . . . . . . 11 G H . 51823 1 4 . 1 . 1 11 11 GLY N N 15 108.007 . . . . . . . . 11 G N . 51823 1 5 . 1 . 1 12 12 LEU H H 1 8.394 . . . . . . . . 12 L H . 51823 1 6 . 1 . 1 12 12 LEU N N 15 122.196 . . . . . . . . 12 L N . 51823 1 7 . 1 . 1 14 14 VAL H H 1 8.23 . . . . . . . . 14 V H . 51823 1 8 . 1 . 1 14 14 VAL N N 15 122.491 . . . . . . . . 14 V N . 51823 1 9 . 1 . 1 18 18 GLY H H 1 8.98 . . . . . . . . 18 G H . 51823 1 10 . 1 . 1 18 18 GLY N N 15 109.379 . . . . . . . . 18 G N . 51823 1 11 . 1 . 1 20 20 ASP H H 1 8.683 . . . . . . . . 20 D H . 51823 1 12 . 1 . 1 20 20 ASP N N 15 118.439 . . . . . . . . 20 D N . 51823 1 13 . 1 . 1 21 21 ALA H H 1 7.476 . . . . . . . . 21 A H . 51823 1 14 . 1 . 1 21 21 ALA N N 15 122.543 . . . . . . . . 21 A N . 51823 1 15 . 1 . 1 22 22 GLU H H 1 8.374 . . . . . . . . 22 E H . 51823 1 16 . 1 . 1 22 22 GLU N N 15 114.67 . . . . . . . . 22 E N . 51823 1 17 . 1 . 1 23 23 SER H H 1 7.855 . . . . . . . . 23 S H . 51823 1 18 . 1 . 1 23 23 SER N N 15 117.111 . . . . . . . . 23 S N . 51823 1 19 . 1 . 1 25 25 PHE H H 1 7.522 . . . . . . . . 25 F H . 51823 1 20 . 1 . 1 25 25 PHE N N 15 118.324 . . . . . . . . 25 F N . 51823 1 21 . 1 . 1 26 26 ARG H H 1 8.058 . . . . . . . . 26 R H . 51823 1 22 . 1 . 1 26 26 ARG N N 15 119.603 . . . . . . . . 26 R N . 51823 1 23 . 1 . 1 28 28 ALA H H 1 7.845 . . . . . . . . 28 A H . 51823 1 24 . 1 . 1 28 28 ALA N N 15 123.288 . . . . . . . . 28 A N . 51823 1 25 . 1 . 1 29 29 LEU H H 1 8.061 . . . . . . . . 29 L H . 51823 1 26 . 1 . 1 29 29 LEU N N 15 118.599 . . . . . . . . 29 L N . 51823 1 27 . 1 . 1 30 30 SER H H 1 7.87 . . . . . . . . 30 S H . 51823 1 28 . 1 . 1 30 30 SER N N 15 114.766 . . . . . . . . 30 S N . 51823 1 29 . 1 . 1 31 31 ASN H H 1 8.24 . . . . . . . . 31 N H . 51823 1 30 . 1 . 1 31 31 ASN N N 15 123.418 . . . . . . . . 31 N N . 51823 1 31 . 1 . 1 39 39 PHE H H 1 8.287 . . . . . . . . 39 F H . 51823 1 32 . 1 . 1 39 39 PHE N N 15 122.623 . . . . . . . . 39 F N . 51823 1 33 . 1 . 1 42 42 ARG H H 1 7.74 . . . . . . . . 42 R H . 51823 1 34 . 1 . 1 42 42 ARG N N 15 121.201 . . . . . . . . 42 R N . 51823 1 35 . 1 . 1 43 43 LYS H H 1 7.428 . . . . . . . . 43 K H . 51823 1 36 . 1 . 1 43 43 LYS N N 15 121.344 . . . . . . . . 43 K N . 51823 1 37 . 1 . 1 44 44 TYR H H 1 8.334 . . . . . . . . 44 Y H . 51823 1 38 . 1 . 1 44 44 TYR N N 15 119.344 . . . . . . . . 44 Y N . 51823 1 39 . 1 . 1 45 45 ARG H H 1 8.027 . . . . . . . . 45 R H . 51823 1 40 . 1 . 1 45 45 ARG N N 15 121.148 . . . . . . . . 45 R N . 51823 1 41 . 1 . 1 46 46 ALA H H 1 7.383 . . . . . . . . 46 A H . 51823 1 42 . 1 . 1 46 46 ALA N N 15 118.801 . . . . . . . . 46 A N . 51823 1 43 . 1 . 1 47 47 LYS H H 1 7.549 . . . . . . . . 47 K H . 51823 1 44 . 1 . 1 47 47 LYS N N 15 116.47 . . . . . . . . 47 K N . 51823 1 45 . 1 . 1 48 48 GLU H H 1 7.556 . . . . . . . . 48 E H . 51823 1 46 . 1 . 1 48 48 GLU N N 15 118.339 . . . . . . . . 48 E N . 51823 1 47 . 1 . 1 49 49 LEU H H 1 8.106 . . . . . . . . 49 L H . 51823 1 48 . 1 . 1 49 49 LEU N N 15 121.598 . . . . . . . . 49 L N . 51823 1 49 . 1 . 1 50 50 VAL H H 1 8.696 . . . . . . . . 50 V H . 51823 1 50 . 1 . 1 50 50 VAL N N 15 118.797 . . . . . . . . 50 V N . 51823 1 51 . 1 . 1 51 51 THR H H 1 8.445 . . . . . . . . 51 T H . 51823 1 52 . 1 . 1 51 51 THR N N 15 117.095 . . . . . . . . 51 T N . 51823 1 53 . 1 . 1 52 52 LYS H H 1 8.503 . . . . . . . . 52 K H . 51823 1 54 . 1 . 1 52 52 LYS N N 15 123.271 . . . . . . . . 52 K N . 51823 1 55 . 1 . 1 53 53 ALA H H 1 8.493 . . . . . . . . 53 A H . 51823 1 56 . 1 . 1 53 53 ALA N N 15 120.18 . . . . . . . . 53 A N . 51823 1 57 . 1 . 1 54 54 GLU H H 1 8.12 . . . . . . . . 54 E H . 51823 1 58 . 1 . 1 54 54 GLU N N 15 119.925 . . . . . . . . 54 E N . 51823 1 59 . 1 . 1 56 56 LEU H H 1 8.335 . . . . . . . . 56 L H . 51823 1 60 . 1 . 1 56 56 LEU N N 15 126.648 . . . . . . . . 56 L N . 51823 1 61 . 1 . 1 57 57 GLU H H 1 8.612 . . . . . . . . 57 E H . 51823 1 62 . 1 . 1 57 57 GLU N N 15 124.206 . . . . . . . . 57 E N . 51823 1 63 . 1 . 1 58 58 ARG H H 1 8.532 . . . . . . . . 58 R H . 51823 1 64 . 1 . 1 58 58 ARG N N 15 124.223 . . . . . . . . 58 R N . 51823 1 65 . 1 . 1 59 59 VAL H H 1 8.891 . . . . . . . . 59 V H . 51823 1 66 . 1 . 1 59 59 VAL N N 15 130.267 . . . . . . . . 59 V N . 51823 1 67 . 1 . 1 63 63 TYR H H 1 8.131 . . . . . . . . 63 Y H . 51823 1 68 . 1 . 1 63 63 TYR N N 15 120.041 . . . . . . . . 63 Y N . 51823 1 69 . 1 . 1 64 64 LYS H H 1 8.66 . . . . . . . . 64 K H . 51823 1 70 . 1 . 1 64 64 LYS N N 15 123.752 . . . . . . . . 64 K N . 51823 1 71 . 1 . 1 65 65 ARG H H 1 8.167 . . . . . . . . 65 R H . 51823 1 72 . 1 . 1 65 65 ARG N N 15 114.548 . . . . . . . . 65 R N . 51823 1 73 . 1 . 1 66 66 CYS H H 1 7.696 . . . . . . . . 66 C H . 51823 1 74 . 1 . 1 66 66 CYS N N 15 109.47 . . . . . . . . 66 C N . 51823 1 75 . 1 . 1 67 67 PHE H H 1 7.935 . . . . . . . . 67 F H . 51823 1 76 . 1 . 1 67 67 PHE N N 15 116.109 . . . . . . . . 67 F N . 51823 1 77 . 1 . 1 69 69 VAL H H 1 7.071 . . . . . . . . 69 V H . 51823 1 78 . 1 . 1 69 69 VAL N N 15 116.749 . . . . . . . . 69 V N . 51823 1 79 . 1 . 1 70 70 ILE H H 1 7.712 . . . . . . . . 70 I H . 51823 1 80 . 1 . 1 70 70 ILE N N 15 121.207 . . . . . . . . 70 I N . 51823 1 81 . 1 . 1 71 71 PHE H H 1 8.881 . . . . . . . . 71 F H . 51823 1 82 . 1 . 1 71 71 PHE N N 15 119.033 . . . . . . . . 71 F N . 51823 1 83 . 1 . 1 72 72 GLY H H 1 7.824 . . . . . . . . 72 G H . 51823 1 84 . 1 . 1 72 72 GLY N N 15 108.741 . . . . . . . . 72 G N . 51823 1 85 . 1 . 1 73 73 LYS H H 1 8.297 . . . . . . . . 73 K H . 51823 1 86 . 1 . 1 73 73 LYS N N 15 122.158 . . . . . . . . 73 K N . 51823 1 87 . 1 . 1 75 75 SER H H 1 8.167 . . . . . . . . 75 S H . 51823 1 88 . 1 . 1 75 75 SER N N 15 113.525 . . . . . . . . 75 S N . 51823 1 89 . 1 . 1 76 76 GLU H H 1 7.713 . . . . . . . . 76 E H . 51823 1 90 . 1 . 1 76 76 GLU N N 15 124.264 . . . . . . . . 76 E N . 51823 1 91 . 1 . 1 77 77 SER H H 1 8.013 . . . . . . . . 77 S H . 51823 1 92 . 1 . 1 77 77 SER N N 15 116.409 . . . . . . . . 77 S N . 51823 1 93 . 1 . 1 78 78 LEU H H 1 8.371 . . . . . . . . 78 L H . 51823 1 94 . 1 . 1 78 78 LEU N N 15 122.198 . . . . . . . . 78 L N . 51823 1 95 . 1 . 1 79 79 LYS H H 1 7.636 . . . . . . . . 79 K H . 51823 1 96 . 1 . 1 79 79 LYS N N 15 119.563 . . . . . . . . 79 K N . 51823 1 97 . 1 . 1 83 83 GLY H H 1 7.144 . . . . . . . . 83 G H . 51823 1 98 . 1 . 1 83 83 GLY N N 15 107.936 . . . . . . . . 83 G N . 51823 1 99 . 1 . 1 84 84 ILE H H 1 7.803 . . . . . . . . 84 I H . 51823 1 100 . 1 . 1 84 84 ILE N N 15 120.72 . . . . . . . . 84 I N . 51823 1 101 . 1 . 1 85 85 ASP H H 1 9.418 . . . . . . . . 85 D H . 51823 1 102 . 1 . 1 85 85 ASP N N 15 127.391 . . . . . . . . 85 D N . 51823 1 103 . 1 . 1 86 86 VAL H H 1 7.477 . . . . . . . . 86 V H . 51823 1 104 . 1 . 1 86 86 VAL N N 15 122.762 . . . . . . . . 86 V N . 51823 1 105 . 1 . 1 87 87 LYS H H 1 9.012 . . . . . . . . 87 K H . 51823 1 106 . 1 . 1 87 87 LYS N N 15 128.535 . . . . . . . . 87 K N . 51823 1 107 . 1 . 1 88 88 GLU H H 1 9.041 . . . . . . . . 88 E H . 51823 1 108 . 1 . 1 88 88 GLU N N 15 127.529 . . . . . . . . 88 E N . 51823 1 109 . 1 . 1 89 89 VAL H H 1 8.577 . . . . . . . . 89 V H . 51823 1 110 . 1 . 1 89 89 VAL N N 15 124.171 . . . . . . . . 89 V N . 51823 1 111 . 1 . 1 90 90 ASP H H 1 7.025 . . . . . . . . 90 D H . 51823 1 112 . 1 . 1 90 90 ASP N N 15 116.809 . . . . . . . . 90 D N . 51823 1 113 . 1 . 1 95 95 THR H H 1 7.3 . . . . . . . . 95 T H . 51823 1 114 . 1 . 1 95 95 THR N N 15 113.228 . . . . . . . . 95 T N . 51823 1 115 . 1 . 1 96 96 TYR H H 1 9.537 . . . . . . . . 96 Y H . 51823 1 116 . 1 . 1 96 96 TYR N N 15 125.578 . . . . . . . . 96 Y N . 51823 1 117 . 1 . 1 97 97 THR H H 1 9.129 . . . . . . . . 97 T H . 51823 1 118 . 1 . 1 97 97 THR N N 15 114.527 . . . . . . . . 97 T N . 51823 1 119 . 1 . 1 98 98 LEU H H 1 8.087 . . . . . . . . 98 L H . 51823 1 120 . 1 . 1 98 98 LEU N N 15 126.951 . . . . . . . . 98 L N . 51823 1 121 . 1 . 1 99 99 VAL H H 1 8.379 . . . . . . . . 99 V H . 51823 1 122 . 1 . 1 99 99 VAL N N 15 116.247 . . . . . . . . 99 V N . 51823 1 123 . 1 . 1 100 100 THR H H 1 8.403 . . . . . . . . 100 T H . 51823 1 124 . 1 . 1 100 100 THR N N 15 112.64 . . . . . . . . 100 T N . 51823 1 125 . 1 . 1 101 101 CYS H H 1 8.874 . . . . . . . . 101 C H . 51823 1 126 . 1 . 1 101 101 CYS N N 15 123.162 . . . . . . . . 101 C N . 51823 1 127 . 1 . 1 102 102 LEU H H 1 8.561 . . . . . . . . 102 L H . 51823 1 128 . 1 . 1 102 102 LEU N N 15 113.185 . . . . . . . . 102 L N . 51823 1 129 . 1 . 1 103 103 GLY H H 1 7.389 . . . . . . . . 103 G H . 51823 1 130 . 1 . 1 103 103 GLY N N 15 105.565 . . . . . . . . 103 G N . 51823 1 131 . 1 . 1 104 104 LEU H H 1 6.895 . . . . . . . . 104 L H . 51823 1 132 . 1 . 1 104 104 LEU N N 15 118.888 . . . . . . . . 104 L N . 51823 1 133 . 1 . 1 106 106 TYR H H 1 6.7 . . . . . . . . 106 Y H . 51823 1 134 . 1 . 1 106 106 TYR N N 15 122.972 . . . . . . . . 106 Y N . 51823 1 135 . 1 . 1 107 107 ASP H H 1 7.698 . . . . . . . . 107 D H . 51823 1 136 . 1 . 1 107 107 ASP N N 15 120.512 . . . . . . . . 107 D N . 51823 1 137 . 1 . 1 108 108 GLY H H 1 7.385 . . . . . . . . 108 G H . 51823 1 138 . 1 . 1 108 108 GLY N N 15 109.717 . . . . . . . . 108 G N . 51823 1 139 . 1 . 1 109 109 LEU H H 1 8.212 . . . . . . . . 109 L H . 51823 1 140 . 1 . 1 109 109 LEU N N 15 121.275 . . . . . . . . 109 L N . 51823 1 141 . 1 . 1 110 110 LEU H H 1 7.74 . . . . . . . . 110 L H . 51823 1 142 . 1 . 1 110 110 LEU N N 15 123.629 . . . . . . . . 110 L N . 51823 1 143 . 1 . 1 114 114 GLN H H 1 7.854 . . . . . . . . 114 Q H . 51823 1 144 . 1 . 1 114 114 GLN N N 15 120.107 . . . . . . . . 114 Q N . 51823 1 145 . 1 . 1 115 115 ILE H H 1 7.893 . . . . . . . . 115 I H . 51823 1 146 . 1 . 1 115 115 ILE N N 15 116.469 . . . . . . . . 115 I N . 51823 1 147 . 1 . 1 118 118 LYS H H 1 8.33 . . . . . . . . 118 K H . 51823 1 148 . 1 . 1 118 118 LYS N N 15 118.289 . . . . . . . . 118 K N . 51823 1 149 . 1 . 1 119 119 THR H H 1 7.446 . . . . . . . . 119 T H . 51823 1 150 . 1 . 1 119 119 THR N N 15 114.817 . . . . . . . . 119 T N . 51823 1 151 . 1 . 1 120 120 GLY H H 1 7.654 . . . . . . . . 120 G H . 51823 1 152 . 1 . 1 120 120 GLY N N 15 107.654 . . . . . . . . 120 G N . 51823 1 153 . 1 . 1 121 121 LEU H H 1 7.176 . . . . . . . . 121 L H . 51823 1 154 . 1 . 1 121 121 LEU N N 15 123.473 . . . . . . . . 121 L N . 51823 1 155 . 1 . 1 122 122 LEU H H 1 6.965 . . . . . . . . 122 L H . 51823 1 156 . 1 . 1 122 122 LEU N N 15 120.458 . . . . . . . . 122 L N . 51823 1 157 . 1 . 1 124 124 ILE H H 1 7.629 . . . . . . . . 124 I H . 51823 1 158 . 1 . 1 124 124 ILE N N 15 120.029 . . . . . . . . 124 I N . 51823 1 159 . 1 . 1 125 125 VAL H H 1 8.065 . . . . . . . . 125 V H . 51823 1 160 . 1 . 1 125 125 VAL N N 15 118.902 . . . . . . . . 125 V N . 51823 1 161 . 1 . 1 126 126 LEU H H 1 7.823 . . . . . . . . 126 L H . 51823 1 162 . 1 . 1 126 126 LEU N N 15 118.577 . . . . . . . . 126 L N . 51823 1 163 . 1 . 1 127 127 GLY H H 1 8.381 . . . . . . . . 127 G H . 51823 1 164 . 1 . 1 127 127 GLY N N 15 109.364 . . . . . . . . 127 G N . 51823 1 165 . 1 . 1 129 129 ILE H H 1 7.413 . . . . . . . . 129 I H . 51823 1 166 . 1 . 1 129 129 ILE N N 15 119.188 . . . . . . . . 129 I N . 51823 1 167 . 1 . 1 130 130 ALA H H 1 7.736 . . . . . . . . 130 A H . 51823 1 168 . 1 . 1 130 130 ALA N N 15 117.809 . . . . . . . . 130 A N . 51823 1 169 . 1 . 1 131 131 MET H H 1 7.798 . . . . . . . . 131 M H . 51823 1 170 . 1 . 1 131 131 MET N N 15 116.226 . . . . . . . . 131 M N . 51823 1 171 . 1 . 1 132 132 GLU H H 1 7.301 . . . . . . . . 132 E H . 51823 1 172 . 1 . 1 132 132 GLU N N 15 118.209 . . . . . . . . 132 E N . 51823 1 173 . 1 . 1 133 133 GLY H H 1 7.816 . . . . . . . . 133 G H . 51823 1 174 . 1 . 1 133 133 GLY N N 15 108.886 . . . . . . . . 133 G N . 51823 1 175 . 1 . 1 134 134 ASP H H 1 8.426 . . . . . . . . 134 D H . 51823 1 176 . 1 . 1 134 134 ASP N N 15 122.494 . . . . . . . . 134 D N . 51823 1 177 . 1 . 1 135 135 SER H H 1 7.658 . . . . . . . . 135 S H . 51823 1 178 . 1 . 1 135 135 SER N N 15 111.268 . . . . . . . . 135 S N . 51823 1 179 . 1 . 1 136 136 ALA H H 1 8.667 . . . . . . . . 136 A H . 51823 1 180 . 1 . 1 136 136 ALA N N 15 119.275 . . . . . . . . 136 A N . 51823 1 181 . 1 . 1 137 137 SER H H 1 9.103 . . . . . . . . 137 S H . 51823 1 182 . 1 . 1 137 137 SER N N 15 119.275 . . . . . . . . 137 S N . 51823 1 183 . 1 . 1 138 138 GLU H H 1 8.174 . . . . . . . . 138 E H . 51823 1 184 . 1 . 1 138 138 GLU N N 15 117.737 . . . . . . . . 138 E N . 51823 1 185 . 1 . 1 140 140 GLU H H 1 8.216 . . . . . . . . 140 E H . 51823 1 186 . 1 . 1 140 140 GLU N N 15 113.068 . . . . . . . . 140 E N . 51823 1 187 . 1 . 1 141 141 ILE H H 1 8.018 . . . . . . . . 141 I H . 51823 1 188 . 1 . 1 141 141 ILE N N 15 121.404 . . . . . . . . 141 I N . 51823 1 189 . 1 . 1 144 144 GLU H H 1 7.548 . . . . . . . . 144 E H . 51823 1 190 . 1 . 1 144 144 GLU N N 15 120.591 . . . . . . . . 144 E N . 51823 1 191 . 1 . 1 145 145 LEU H H 1 8.232 . . . . . . . . 145 L H . 51823 1 192 . 1 . 1 145 145 LEU N N 15 119.056 . . . . . . . . 145 L N . 51823 1 193 . 1 . 1 146 146 GLY H H 1 8.228 . . . . . . . . 146 G H . 51823 1 194 . 1 . 1 146 146 GLY N N 15 108.982 . . . . . . . . 146 G N . 51823 1 195 . 1 . 1 147 147 VAL H H 1 7.232 . . . . . . . . 147 V H . 51823 1 196 . 1 . 1 147 147 VAL N N 15 122.18 . . . . . . . . 147 V N . 51823 1 197 . 1 . 1 148 148 MET H H 1 6.98 . . . . . . . . 148 M H . 51823 1 198 . 1 . 1 148 148 MET N N 15 115.399 . . . . . . . . 148 M N . 51823 1 199 . 1 . 1 149 149 GLY H H 1 7.714 . . . . . . . . 149 G H . 51823 1 200 . 1 . 1 149 149 GLY N N 15 108.705 . . . . . . . . 149 G N . 51823 1 201 . 1 . 1 150 150 VAL H H 1 7.342 . . . . . . . . 150 V H . 51823 1 202 . 1 . 1 150 150 VAL N N 15 122.67 . . . . . . . . 150 V N . 51823 1 203 . 1 . 1 151 151 TYR H H 1 9.548 . . . . . . . . 151 Y H . 51823 1 204 . 1 . 1 151 151 TYR N N 15 124.871 . . . . . . . . 151 Y N . 51823 1 205 . 1 . 1 152 152 ASP H H 1 7.987 . . . . . . . . 152 D H . 51823 1 206 . 1 . 1 152 152 ASP N N 15 122.91 . . . . . . . . 152 D N . 51823 1 207 . 1 . 1 153 153 GLY H H 1 8.922 . . . . . . . . 153 G H . 51823 1 208 . 1 . 1 153 153 GLY N N 15 117.615 . . . . . . . . 153 G N . 51823 1 209 . 1 . 1 154 154 ARG H H 1 8.172 . . . . . . . . 154 R H . 51823 1 210 . 1 . 1 154 154 ARG N N 15 121.732 . . . . . . . . 154 R N . 51823 1 211 . 1 . 1 155 155 GLU H H 1 8.665 . . . . . . . . 155 E H . 51823 1 212 . 1 . 1 155 155 GLU N N 15 124.728 . . . . . . . . 155 E N . 51823 1 213 . 1 . 1 156 156 HIS H H 1 7.905 . . . . . . . . 156 H H . 51823 1 214 . 1 . 1 156 156 HIS N N 15 132.467 . . . . . . . . 156 H N . 51823 1 215 . 1 . 1 158 158 VAL H H 1 9.564 . . . . . . . . 158 V H . 51823 1 216 . 1 . 1 158 158 VAL N N 15 121.702 . . . . . . . . 158 V N . 51823 1 217 . 1 . 1 159 159 TYR H H 1 7.914 . . . . . . . . 159 Y H . 51823 1 218 . 1 . 1 159 159 TYR N N 15 117.124 . . . . . . . . 159 Y N . 51823 1 219 . 1 . 1 160 160 GLY H H 1 8.131 . . . . . . . . 160 G H . 51823 1 220 . 1 . 1 160 160 GLY N N 15 106.958 . . . . . . . . 160 G N . 51823 1 221 . 1 . 1 161 161 GLU H H 1 8.237 . . . . . . . . 161 E H . 51823 1 222 . 1 . 1 161 161 GLU N N 15 126.391 . . . . . . . . 161 E N . 51823 1 223 . 1 . 1 163 163 ARG H H 1 7.462 . . . . . . . . 163 R H . 51823 1 224 . 1 . 1 163 163 ARG N N 15 119.961 . . . . . . . . 163 R N . 51823 1 225 . 1 . 1 164 164 LYS H H 1 8.375 . . . . . . . . 164 K H . 51823 1 226 . 1 . 1 164 164 LYS N N 15 120.595 . . . . . . . . 164 K N . 51823 1 227 . 1 . 1 165 165 LEU H H 1 8.752 . . . . . . . . 165 L H . 51823 1 228 . 1 . 1 165 165 LEU N N 15 121.486 . . . . . . . . 165 L N . 51823 1 229 . 1 . 1 168 168 GLN H H 1 7.319 . . . . . . . . 168 Q H . 51823 1 230 . 1 . 1 168 168 GLN N N 15 119.612 . . . . . . . . 168 Q N . 51823 1 231 . 1 . 1 169 169 ASP H H 1 8.713 . . . . . . . . 169 D H . 51823 1 232 . 1 . 1 169 169 ASP N N 15 123.253 . . . . . . . . 169 D N . 51823 1 233 . 1 . 1 170 170 TRP H H 1 9.047 . . . . . . . . 170 W H . 51823 1 234 . 1 . 1 170 170 TRP N N 15 116.382 . . . . . . . . 170 W N . 51823 1 235 . 1 . 1 172 172 GLN H H 1 10.363 . . . . . . . . 172 Q H . 51823 1 236 . 1 . 1 172 172 GLN N N 15 126.492 . . . . . . . . 172 Q N . 51823 1 237 . 1 . 1 173 173 GLU H H 1 8.852 . . . . . . . . 173 E H . 51823 1 238 . 1 . 1 173 173 GLU N N 15 124.671 . . . . . . . . 173 E N . 51823 1 239 . 1 . 1 174 174 ASN H H 1 6.506 . . . . . . . . 174 N H . 51823 1 240 . 1 . 1 174 174 ASN N N 15 119.324 . . . . . . . . 174 N N . 51823 1 241 . 1 . 1 175 175 TYR H H 1 7.668 . . . . . . . . 175 Y H . 51823 1 242 . 1 . 1 175 175 TYR N N 15 114.431 . . . . . . . . 175 Y N . 51823 1 243 . 1 . 1 177 177 GLU H H 1 8.244 . . . . . . . . 177 E H . 51823 1 244 . 1 . 1 177 177 GLU N N 15 116.083 . . . . . . . . 177 E N . 51823 1 245 . 1 . 1 178 178 TYR H H 1 8.09 . . . . . . . . 178 Y H . 51823 1 246 . 1 . 1 178 178 TYR N N 15 122.288 . . . . . . . . 178 Y N . 51823 1 247 . 1 . 1 179 179 ARG H H 1 8.121 . . . . . . . . 179 R H . 51823 1 248 . 1 . 1 179 179 ARG N N 15 120.045 . . . . . . . . 179 R N . 51823 1 249 . 1 . 1 180 180 GLN H H 1 7.741 . . . . . . . . 180 Q H . 51823 1 250 . 1 . 1 180 180 GLN N N 15 120.453 . . . . . . . . 180 Q N . 51823 1 251 . 1 . 1 184 184 SER H H 1 7.743 . . . . . . . . 184 S H . 51823 1 252 . 1 . 1 184 184 SER N N 15 115.001 . . . . . . . . 184 S N . 51823 1 253 . 1 . 1 187 187 ALA H H 1 8.4 . . . . . . . . 187 A H . 51823 1 254 . 1 . 1 187 187 ALA N N 15 122.83 . . . . . . . . 187 A N . 51823 1 255 . 1 . 1 188 188 ARG H H 1 7.812 . . . . . . . . 188 R H . 51823 1 256 . 1 . 1 188 188 ARG N N 15 120.3 . . . . . . . . 188 R N . 51823 1 257 . 1 . 1 189 189 TYR H H 1 9.065 . . . . . . . . 189 Y H . 51823 1 258 . 1 . 1 189 189 TYR N N 15 119.671 . . . . . . . . 189 Y N . 51823 1 259 . 1 . 1 190 190 GLU H H 1 9.103 . . . . . . . . 190 E H . 51823 1 260 . 1 . 1 190 190 GLU N N 15 119.275 . . . . . . . . 190 E N . 51823 1 261 . 1 . 1 191 191 PHE H H 1 9.114 . . . . . . . . 191 F H . 51823 1 262 . 1 . 1 191 191 PHE N N 15 116.28 . . . . . . . . 191 F N . 51823 1 263 . 1 . 1 192 192 LEU H H 1 8.797 . . . . . . . . 192 L H . 51823 1 264 . 1 . 1 192 192 LEU N N 15 118.22 . . . . . . . . 192 L N . 51823 1 265 . 1 . 1 193 193 TRP H H 1 9.571 . . . . . . . . 193 W H . 51823 1 266 . 1 . 1 193 193 TRP N N 15 120.779 . . . . . . . . 193 W N . 51823 1 267 . 1 . 1 194 194 GLY H H 1 8.264 . . . . . . . . 194 G H . 51823 1 268 . 1 . 1 194 194 GLY N N 15 108.914 . . . . . . . . 194 G N . 51823 1 269 . 1 . 1 196 196 ARG H H 1 7.9 . . . . . . . . 196 R H . 51823 1 270 . 1 . 1 196 196 ARG N N 15 117.66 . . . . . . . . 196 R N . 51823 1 271 . 1 . 1 197 197 ALA H H 1 6.652 . . . . . . . . 197 A H . 51823 1 272 . 1 . 1 197 197 ALA N N 15 120.353 . . . . . . . . 197 A N . 51823 1 273 . 1 . 1 198 198 LEU H H 1 7.174 . . . . . . . . 198 L H . 51823 1 274 . 1 . 1 198 198 LEU N N 15 113.541 . . . . . . . . 198 L N . 51823 1 275 . 1 . 1 199 199 ALA H H 1 7.433 . . . . . . . . 199 A H . 51823 1 276 . 1 . 1 199 199 ALA N N 15 118.092 . . . . . . . . 199 A N . 51823 1 277 . 1 . 1 200 200 GLU H H 1 7.725 . . . . . . . . 200 E H . 51823 1 278 . 1 . 1 200 200 GLU N N 15 116.44 . . . . . . . . 200 E N . 51823 1 279 . 1 . 1 201 201 THR H H 1 8.158 . . . . . . . . 201 T H . 51823 1 280 . 1 . 1 201 201 THR N N 15 115.842 . . . . . . . . 201 T N . 51823 1 281 . 1 . 1 202 202 SER H H 1 8.888 . . . . . . . . 202 S H . 51823 1 282 . 1 . 1 202 202 SER N N 15 112.973 . . . . . . . . 202 S N . 51823 1 283 . 1 . 1 203 203 TYR H H 1 8.727 . . . . . . . . 203 Y H . 51823 1 284 . 1 . 1 203 203 TYR N N 15 123.863 . . . . . . . . 203 Y N . 51823 1 285 . 1 . 1 204 204 VAL H H 1 7.731 . . . . . . . . 204 V H . 51823 1 286 . 1 . 1 204 204 VAL N N 15 114.198 . . . . . . . . 204 V N . 51823 1 287 . 1 . 1 205 205 LYS H H 1 7.471 . . . . . . . . 205 K H . 51823 1 288 . 1 . 1 205 205 LYS N N 15 119.918 . . . . . . . . 205 K N . 51823 1 289 . 1 . 1 206 206 VAL H H 1 8.41 . . . . . . . . 206 V H . 51823 1 290 . 1 . 1 206 206 VAL N N 15 121.155 . . . . . . . . 206 V N . 51823 1 291 . 1 . 1 207 207 LEU H H 1 8.628 . . . . . . . . 207 L H . 51823 1 292 . 1 . 1 207 207 LEU N N 15 120.05 . . . . . . . . 207 L N . 51823 1 293 . 1 . 1 208 208 GLU H H 1 7.903 . . . . . . . . 208 E H . 51823 1 294 . 1 . 1 208 208 GLU N N 15 118.218 . . . . . . . . 208 E N . 51823 1 295 . 1 . 1 209 209 HIS H H 1 7.521 . . . . . . . . 209 H H . 51823 1 296 . 1 . 1 209 209 HIS N N 15 119.818 . . . . . . . . 209 H N . 51823 1 297 . 1 . 1 210 210 VAL H H 1 8.961 . . . . . . . . 210 V H . 51823 1 298 . 1 . 1 210 210 VAL N N 15 116.807 . . . . . . . . 210 V N . 51823 1 299 . 1 . 1 211 211 VAL H H 1 7.945 . . . . . . . . 211 V H . 51823 1 300 . 1 . 1 211 211 VAL N N 15 121.185 . . . . . . . . 211 V N . 51823 1 301 . 1 . 1 212 212 ARG H H 1 7.539 . . . . . . . . 212 R H . 51823 1 302 . 1 . 1 212 212 ARG N N 15 121.252 . . . . . . . . 212 R N . 51823 1 303 . 1 . 1 213 213 VAL H H 1 8.254 . . . . . . . . 213 V H . 51823 1 304 . 1 . 1 213 213 VAL N N 15 118.293 . . . . . . . . 213 V N . 51823 1 305 . 1 . 1 215 215 ALA H H 1 7.672 . . . . . . . . 215 A H . 51823 1 306 . 1 . 1 215 215 ALA N N 15 122.361 . . . . . . . . 215 A N . 51823 1 307 . 1 . 1 216 216 ARG H H 1 7.308 . . . . . . . . 216 R H . 51823 1 308 . 1 . 1 216 216 ARG N N 15 118.835 . . . . . . . . 216 R N . 51823 1 309 . 1 . 1 217 217 VAL H H 1 7.995 . . . . . . . . 217 V H . 51823 1 310 . 1 . 1 217 217 VAL N N 15 122.57 . . . . . . . . 217 V N . 51823 1 311 . 1 . 1 218 218 ARG H H 1 8.238 . . . . . . . . 218 R H . 51823 1 312 . 1 . 1 218 218 ARG N N 15 126.743 . . . . . . . . 218 R N . 51823 1 313 . 1 . 1 219 219 ILE H H 1 8.581 . . . . . . . . 219 I H . 51823 1 314 . 1 . 1 219 219 ILE N N 15 124.948 . . . . . . . . 219 I N . 51823 1 315 . 1 . 1 220 220 ALA H H 1 8.299 . . . . . . . . 220 A H . 51823 1 316 . 1 . 1 220 220 ALA N N 15 130.584 . . . . . . . . 220 A N . 51823 1 317 . 1 . 1 221 221 TYR H H 1 8.228 . . . . . . . . 221 Y H . 51823 1 318 . 1 . 1 221 221 TYR N N 15 119.736 . . . . . . . . 221 Y N . 51823 1 319 . 1 . 1 223 223 SER H H 1 8.371 . . . . . . . . 223 S H . 51823 1 320 . 1 . 1 223 223 SER N N 15 115.578 . . . . . . . . 223 S N . 51823 1 321 . 1 . 1 227 227 ALA H H 1 8.548 . . . . . . . . 227 A H . 51823 1 322 . 1 . 1 227 227 ALA N N 15 122.767 . . . . . . . . 227 A N . 51823 1 323 . 1 . 1 228 228 ALA H H 1 7.907 . . . . . . . . 228 A H . 51823 1 324 . 1 . 1 228 228 ALA N N 15 119.398 . . . . . . . . 228 A N . 51823 1 325 . 1 . 1 229 229 LEU H H 1 7.303 . . . . . . . . 229 L H . 51823 1 326 . 1 . 1 229 229 LEU N N 15 117.574 . . . . . . . . 229 L N . 51823 1 327 . 1 . 1 230 230 LEU H H 1 7.423 . . . . . . . . 230 L H . 51823 1 328 . 1 . 1 230 230 LEU N N 15 120.694 . . . . . . . . 230 L N . 51823 1 329 . 1 . 1 231 231 GLU H H 1 8.051 . . . . . . . . 231 E H . 51823 1 330 . 1 . 1 231 231 GLU N N 15 120.707 . . . . . . . . 231 E N . 51823 1 331 . 1 . 1 232 232 GLU H H 1 8.253 . . . . . . . . 232 E H . 51823 1 332 . 1 . 1 232 232 GLU N N 15 121.568 . . . . . . . . 232 E N . 51823 1 333 . 1 . 1 233 233 GLU H H 1 8.242 . . . . . . . . 233 E H . 51823 1 334 . 1 . 1 233 233 GLU N N 15 122.138 . . . . . . . . 233 E N . 51823 1 335 . 1 . 1 234 234 GLU H H 1 8.355 . . . . . . . . 234 E H . 51823 1 336 . 1 . 1 234 234 GLU N N 15 122.583 . . . . . . . . 234 E N . 51823 1 337 . 1 . 1 235 235 GLY H H 1 8.332 . . . . . . . . 235 G H . 51823 1 338 . 1 . 1 235 235 GLY N N 15 110.846 . . . . . . . . 235 G N . 51823 1 339 . 1 . 1 236 236 VAL H H 1 7.433 . . . . . . . . 236 V H . 51823 1 340 . 1 . 1 236 236 VAL N N 15 123.182 . . . . . . . . 236 V N . 51823 1 stop_ save_