data_50786 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50786 _Entry.Title ; N-terminal domain of human HSP90 alpha1 form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-23 _Entry.Accession_date 2021-02-23 _Entry.Last_release_date 2021-02-23 _Entry.Original_release_date 2021-02-23 _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 Faustine Henot . . . . 50786 2 Rime Kerfah . . . . 50786 3 Pierre Gans . . . . 50786 4 Jerome Boisbouvier . . . . 50786 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut de Biologie Structurale CEA-CNRS-UGA' . 50786 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50786 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 626 50786 '15N chemical shifts' 167 50786 '1H chemical shifts' 428 50786 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 . . 2021-08-17 2021-02-23 update BMRB 'update entry citation' 50786 1 . . 2021-05-27 2021-02-23 original author 'original release' 50786 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50786 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34041691 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Optimized precursor to simplify assignment transfer between backbone resonances and stereospecifically labelled valine and leucine methyl groups: application to human Hsp90 N-terminal domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 75 _Citation.Journal_issue 6-7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 221 _Citation.Page_last 232 _Citation.Year 2021 _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 Faustine Henot . . . . 50786 1 2 Rime Kerfah . . . . 50786 1 3 Ricarda Torner . . . . 50786 1 4 Pavel Macek . . . . 50786 1 5 Elodie Crublet . . . . 50786 1 6 Pierre Gans . . . . 50786 1 7 Matthias Frech . . . . 50786 1 8 Olivier Hamelin . . . . 50786 1 9 Jerome Boisbouvier . . . . 50786 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50786 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of HSP90 alpha form' _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 yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'N-terminal domain' 1 $entity_1 . . yes native no no . . . 50786 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50786 _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 ; FENLYFQGDQPMEEEEVETF AFQAEIAQLMSLIINTFYSN KEIFLRELISNSSDALDKIR YESLTDPSKLDSGKELHINL IPNKQDRTLTIVDTGIGMTK ADLINNLGTIAKSGTKAFME ALQAGADISMIGQFGVGFYS AYLVAEKVTVITKHNDDEQY AWESSAGGSFTVRTDTGEPM GRGTKVILHLKEDQTEYLEE RRIKEIVKKHSQFIGYPITL FVEKERDKEVSDDEAE ; _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 236 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 UNIPROT P07900 . HS90A_HUMAN . . . . . . . . . . . . . . 50786 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Molecular chaperone' 50786 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 . PHE . 50786 1 2 . GLU . 50786 1 3 . ASN . 50786 1 4 . LEU . 50786 1 5 . TYR . 50786 1 6 . PHE . 50786 1 7 . GLN . 50786 1 8 . GLY . 50786 1 9 . ASP . 50786 1 10 . GLN . 50786 1 11 . PRO . 50786 1 12 . MET . 50786 1 13 . GLU . 50786 1 14 . GLU . 50786 1 15 . GLU . 50786 1 16 . GLU . 50786 1 17 . VAL . 50786 1 18 . GLU . 50786 1 19 . THR . 50786 1 20 . PHE . 50786 1 21 . ALA . 50786 1 22 . PHE . 50786 1 23 . GLN . 50786 1 24 . ALA . 50786 1 25 . GLU . 50786 1 26 . ILE . 50786 1 27 . ALA . 50786 1 28 . GLN . 50786 1 29 . LEU . 50786 1 30 . MET . 50786 1 31 . SER . 50786 1 32 . LEU . 50786 1 33 . ILE . 50786 1 34 . ILE . 50786 1 35 . ASN . 50786 1 36 . THR . 50786 1 37 . PHE . 50786 1 38 . TYR . 50786 1 39 . SER . 50786 1 40 . ASN . 50786 1 41 . LYS . 50786 1 42 . GLU . 50786 1 43 . ILE . 50786 1 44 . PHE . 50786 1 45 . LEU . 50786 1 46 . ARG . 50786 1 47 . GLU . 50786 1 48 . LEU . 50786 1 49 . ILE . 50786 1 50 . SER . 50786 1 51 . ASN . 50786 1 52 . SER . 50786 1 53 . SER . 50786 1 54 . ASP . 50786 1 55 . ALA . 50786 1 56 . LEU . 50786 1 57 . ASP . 50786 1 58 . LYS . 50786 1 59 . ILE . 50786 1 60 . ARG . 50786 1 61 . TYR . 50786 1 62 . GLU . 50786 1 63 . SER . 50786 1 64 . LEU . 50786 1 65 . THR . 50786 1 66 . ASP . 50786 1 67 . PRO . 50786 1 68 . SER . 50786 1 69 . LYS . 50786 1 70 . LEU . 50786 1 71 . ASP . 50786 1 72 . SER . 50786 1 73 . GLY . 50786 1 74 . LYS . 50786 1 75 . GLU . 50786 1 76 . LEU . 50786 1 77 . HIS . 50786 1 78 . ILE . 50786 1 79 . ASN . 50786 1 80 . LEU . 50786 1 81 . ILE . 50786 1 82 . PRO . 50786 1 83 . ASN . 50786 1 84 . LYS . 50786 1 85 . GLN . 50786 1 86 . ASP . 50786 1 87 . ARG . 50786 1 88 . THR . 50786 1 89 . LEU . 50786 1 90 . THR . 50786 1 91 . ILE . 50786 1 92 . VAL . 50786 1 93 . ASP . 50786 1 94 . THR . 50786 1 95 . GLY . 50786 1 96 . ILE . 50786 1 97 . GLY . 50786 1 98 . MET . 50786 1 99 . THR . 50786 1 100 . LYS . 50786 1 101 . ALA . 50786 1 102 . ASP . 50786 1 103 . LEU . 50786 1 104 . ILE . 50786 1 105 . ASN . 50786 1 106 . ASN . 50786 1 107 . LEU . 50786 1 108 . GLY . 50786 1 109 . THR . 50786 1 110 . ILE . 50786 1 111 . ALA . 50786 1 112 . LYS . 50786 1 113 . SER . 50786 1 114 . GLY . 50786 1 115 . THR . 50786 1 116 . LYS . 50786 1 117 . ALA . 50786 1 118 . PHE . 50786 1 119 . MET . 50786 1 120 . GLU . 50786 1 121 . ALA . 50786 1 122 . LEU . 50786 1 123 . GLN . 50786 1 124 . ALA . 50786 1 125 . GLY . 50786 1 126 . ALA . 50786 1 127 . ASP . 50786 1 128 . ILE . 50786 1 129 . SER . 50786 1 130 . MET . 50786 1 131 . ILE . 50786 1 132 . GLY . 50786 1 133 . GLN . 50786 1 134 . PHE . 50786 1 135 . GLY . 50786 1 136 . VAL . 50786 1 137 . GLY . 50786 1 138 . PHE . 50786 1 139 . TYR . 50786 1 140 . SER . 50786 1 141 . ALA . 50786 1 142 . TYR . 50786 1 143 . LEU . 50786 1 144 . VAL . 50786 1 145 . ALA . 50786 1 146 . GLU . 50786 1 147 . LYS . 50786 1 148 . VAL . 50786 1 149 . THR . 50786 1 150 . VAL . 50786 1 151 . ILE . 50786 1 152 . THR . 50786 1 153 . LYS . 50786 1 154 . HIS . 50786 1 155 . ASN . 50786 1 156 . ASP . 50786 1 157 . ASP . 50786 1 158 . GLU . 50786 1 159 . GLN . 50786 1 160 . TYR . 50786 1 161 . ALA . 50786 1 162 . TRP . 50786 1 163 . GLU . 50786 1 164 . SER . 50786 1 165 . SER . 50786 1 166 . ALA . 50786 1 167 . GLY . 50786 1 168 . GLY . 50786 1 169 . SER . 50786 1 170 . PHE . 50786 1 171 . THR . 50786 1 172 . VAL . 50786 1 173 . ARG . 50786 1 174 . THR . 50786 1 175 . ASP . 50786 1 176 . THR . 50786 1 177 . GLY . 50786 1 178 . GLU . 50786 1 179 . PRO . 50786 1 180 . MET . 50786 1 181 . GLY . 50786 1 182 . ARG . 50786 1 183 . GLY . 50786 1 184 . THR . 50786 1 185 . LYS . 50786 1 186 . VAL . 50786 1 187 . ILE . 50786 1 188 . LEU . 50786 1 189 . HIS . 50786 1 190 . LEU . 50786 1 191 . LYS . 50786 1 192 . GLU . 50786 1 193 . ASP . 50786 1 194 . GLN . 50786 1 195 . THR . 50786 1 196 . GLU . 50786 1 197 . TYR . 50786 1 198 . LEU . 50786 1 199 . GLU . 50786 1 200 . GLU . 50786 1 201 . ARG . 50786 1 202 . ARG . 50786 1 203 . ILE . 50786 1 204 . LYS . 50786 1 205 . GLU . 50786 1 206 . ILE . 50786 1 207 . VAL . 50786 1 208 . LYS . 50786 1 209 . LYS . 50786 1 210 . HIS . 50786 1 211 . SER . 50786 1 212 . GLN . 50786 1 213 . PHE . 50786 1 214 . ILE . 50786 1 215 . GLY . 50786 1 216 . TYR . 50786 1 217 . PRO . 50786 1 218 . ILE . 50786 1 219 . THR . 50786 1 220 . LEU . 50786 1 221 . PHE . 50786 1 222 . VAL . 50786 1 223 . GLU . 50786 1 224 . LYS . 50786 1 225 . GLU . 50786 1 226 . ARG . 50786 1 227 . ASP . 50786 1 228 . LYS . 50786 1 229 . GLU . 50786 1 230 . VAL . 50786 1 231 . SER . 50786 1 232 . ASP . 50786 1 233 . ASP . 50786 1 234 . GLU . 50786 1 235 . ALA . 50786 1 236 . GLU . 50786 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 . PHE 1 1 50786 1 . GLU 2 2 50786 1 . ASN 3 3 50786 1 . LEU 4 4 50786 1 . TYR 5 5 50786 1 . PHE 6 6 50786 1 . GLN 7 7 50786 1 . GLY 8 8 50786 1 . ASP 9 9 50786 1 . GLN 10 10 50786 1 . PRO 11 11 50786 1 . MET 12 12 50786 1 . GLU 13 13 50786 1 . GLU 14 14 50786 1 . GLU 15 15 50786 1 . GLU 16 16 50786 1 . VAL 17 17 50786 1 . GLU 18 18 50786 1 . THR 19 19 50786 1 . PHE 20 20 50786 1 . ALA 21 21 50786 1 . PHE 22 22 50786 1 . GLN 23 23 50786 1 . ALA 24 24 50786 1 . GLU 25 25 50786 1 . ILE 26 26 50786 1 . ALA 27 27 50786 1 . GLN 28 28 50786 1 . LEU 29 29 50786 1 . MET 30 30 50786 1 . SER 31 31 50786 1 . LEU 32 32 50786 1 . ILE 33 33 50786 1 . ILE 34 34 50786 1 . ASN 35 35 50786 1 . THR 36 36 50786 1 . PHE 37 37 50786 1 . TYR 38 38 50786 1 . SER 39 39 50786 1 . ASN 40 40 50786 1 . LYS 41 41 50786 1 . GLU 42 42 50786 1 . ILE 43 43 50786 1 . PHE 44 44 50786 1 . LEU 45 45 50786 1 . ARG 46 46 50786 1 . GLU 47 47 50786 1 . LEU 48 48 50786 1 . ILE 49 49 50786 1 . SER 50 50 50786 1 . ASN 51 51 50786 1 . SER 52 52 50786 1 . SER 53 53 50786 1 . ASP 54 54 50786 1 . ALA 55 55 50786 1 . LEU 56 56 50786 1 . ASP 57 57 50786 1 . LYS 58 58 50786 1 . ILE 59 59 50786 1 . ARG 60 60 50786 1 . TYR 61 61 50786 1 . GLU 62 62 50786 1 . SER 63 63 50786 1 . LEU 64 64 50786 1 . THR 65 65 50786 1 . ASP 66 66 50786 1 . PRO 67 67 50786 1 . SER 68 68 50786 1 . LYS 69 69 50786 1 . LEU 70 70 50786 1 . ASP 71 71 50786 1 . SER 72 72 50786 1 . GLY 73 73 50786 1 . LYS 74 74 50786 1 . GLU 75 75 50786 1 . LEU 76 76 50786 1 . HIS 77 77 50786 1 . ILE 78 78 50786 1 . ASN 79 79 50786 1 . LEU 80 80 50786 1 . ILE 81 81 50786 1 . PRO 82 82 50786 1 . ASN 83 83 50786 1 . LYS 84 84 50786 1 . GLN 85 85 50786 1 . ASP 86 86 50786 1 . ARG 87 87 50786 1 . THR 88 88 50786 1 . LEU 89 89 50786 1 . THR 90 90 50786 1 . ILE 91 91 50786 1 . VAL 92 92 50786 1 . ASP 93 93 50786 1 . THR 94 94 50786 1 . GLY 95 95 50786 1 . ILE 96 96 50786 1 . GLY 97 97 50786 1 . MET 98 98 50786 1 . THR 99 99 50786 1 . LYS 100 100 50786 1 . ALA 101 101 50786 1 . ASP 102 102 50786 1 . LEU 103 103 50786 1 . ILE 104 104 50786 1 . ASN 105 105 50786 1 . ASN 106 106 50786 1 . LEU 107 107 50786 1 . GLY 108 108 50786 1 . THR 109 109 50786 1 . ILE 110 110 50786 1 . ALA 111 111 50786 1 . LYS 112 112 50786 1 . SER 113 113 50786 1 . GLY 114 114 50786 1 . THR 115 115 50786 1 . LYS 116 116 50786 1 . ALA 117 117 50786 1 . PHE 118 118 50786 1 . MET 119 119 50786 1 . GLU 120 120 50786 1 . ALA 121 121 50786 1 . LEU 122 122 50786 1 . GLN 123 123 50786 1 . ALA 124 124 50786 1 . GLY 125 125 50786 1 . ALA 126 126 50786 1 . ASP 127 127 50786 1 . ILE 128 128 50786 1 . SER 129 129 50786 1 . MET 130 130 50786 1 . ILE 131 131 50786 1 . GLY 132 132 50786 1 . GLN 133 133 50786 1 . PHE 134 134 50786 1 . GLY 135 135 50786 1 . VAL 136 136 50786 1 . GLY 137 137 50786 1 . PHE 138 138 50786 1 . TYR 139 139 50786 1 . SER 140 140 50786 1 . ALA 141 141 50786 1 . TYR 142 142 50786 1 . LEU 143 143 50786 1 . VAL 144 144 50786 1 . ALA 145 145 50786 1 . GLU 146 146 50786 1 . LYS 147 147 50786 1 . VAL 148 148 50786 1 . THR 149 149 50786 1 . VAL 150 150 50786 1 . ILE 151 151 50786 1 . THR 152 152 50786 1 . LYS 153 153 50786 1 . HIS 154 154 50786 1 . ASN 155 155 50786 1 . ASP 156 156 50786 1 . ASP 157 157 50786 1 . GLU 158 158 50786 1 . GLN 159 159 50786 1 . TYR 160 160 50786 1 . ALA 161 161 50786 1 . TRP 162 162 50786 1 . GLU 163 163 50786 1 . SER 164 164 50786 1 . SER 165 165 50786 1 . ALA 166 166 50786 1 . GLY 167 167 50786 1 . GLY 168 168 50786 1 . SER 169 169 50786 1 . PHE 170 170 50786 1 . THR 171 171 50786 1 . VAL 172 172 50786 1 . ARG 173 173 50786 1 . THR 174 174 50786 1 . ASP 175 175 50786 1 . THR 176 176 50786 1 . GLY 177 177 50786 1 . GLU 178 178 50786 1 . PRO 179 179 50786 1 . MET 180 180 50786 1 . GLY 181 181 50786 1 . ARG 182 182 50786 1 . GLY 183 183 50786 1 . THR 184 184 50786 1 . LYS 185 185 50786 1 . VAL 186 186 50786 1 . ILE 187 187 50786 1 . LEU 188 188 50786 1 . HIS 189 189 50786 1 . LEU 190 190 50786 1 . LYS 191 191 50786 1 . GLU 192 192 50786 1 . ASP 193 193 50786 1 . GLN 194 194 50786 1 . THR 195 195 50786 1 . GLU 196 196 50786 1 . TYR 197 197 50786 1 . LEU 198 198 50786 1 . GLU 199 199 50786 1 . GLU 200 200 50786 1 . ARG 201 201 50786 1 . ARG 202 202 50786 1 . ILE 203 203 50786 1 . LYS 204 204 50786 1 . GLU 205 205 50786 1 . ILE 206 206 50786 1 . VAL 207 207 50786 1 . LYS 208 208 50786 1 . LYS 209 209 50786 1 . HIS 210 210 50786 1 . SER 211 211 50786 1 . GLN 212 212 50786 1 . PHE 213 213 50786 1 . ILE 214 214 50786 1 . GLY 215 215 50786 1 . TYR 216 216 50786 1 . PRO 217 217 50786 1 . ILE 218 218 50786 1 . THR 219 219 50786 1 . LEU 220 220 50786 1 . PHE 221 221 50786 1 . VAL 222 222 50786 1 . GLU 223 223 50786 1 . LYS 224 224 50786 1 . GLU 225 225 50786 1 . ARG 226 226 50786 1 . ASP 227 227 50786 1 . LYS 228 228 50786 1 . GLU 229 229 50786 1 . VAL 230 230 50786 1 . SER 231 231 50786 1 . ASP 232 232 50786 1 . ASP 233 233 50786 1 . GLU 234 234 50786 1 . ALA 235 235 50786 1 . GLU 236 236 50786 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 50786 _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 . . . . . . . . . . . . . 50786 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 50786 _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 BL21-DE3-RIL . . plasmid . . pET-28 . . . 50786 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50786 _Sample.ID 1 _Sample.Name sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'HSP 90 N-terminal domain, U-[2H, 15N, 13C] 0.5mM, 20 mM Hepes, 150 mM NaCl, 1mM 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 'N-terminal domain of HSP90-alpha' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50786 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50786 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50786 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50786 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50786 _Sample.ID 2 _Sample.Name sample_2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; HSP 90 N-terminal domain, U-[2H, 15N, 12C], Ala-[13C1H3]b, Met-[13C1H3]e, Leu/Val-[13C1H3]proS, Ile-[13C1H3]d1, Thr-[13C1H3]g 0.5mM, 20 mM Hepes, 150 mM NaCl, 1mM TCEP. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50786 2 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50786 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50786 2 4 'N-terminal domain of HSP90-alpha' 'U-[2H, 15N, 12C], Ala-[13C1H3]b, Met-[13C1H3]e, Leu/Val-[13C1H3]proS, Ile-[13C1H3]d1, Thr-[13C1H3]g' . . 1 $entity_1 . . 0.5 . . mM . . . . 50786 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50786 _Sample.ID 3 _Sample.Name sample_3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; HSP 90 N-terminal domain, U-[2H, 15N, 13C], Val-[1,2,3-13C, 13C1H3-proS], Leu-[1,2,3,4-13C, 13C1H3-proS], Ile-[1,2,3,4-13C, 13C1H3- d1] 0.5mM, 100% D20; 20 mM Hepes, 150 mM NaCl, 1mM TCEP. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'N-terminal domain of HSP90-alpha' 'U-[2H, 15N, 13C], Val-[1,2,3-13C, 13C1H3-proS], Leu-[1,2,3,4-13C, 13C1H3-proS], Ile-[1,2,3,4-13C, 13C1H3- d1]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50786 3 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50786 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50786 3 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50786 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 50786 _Sample.ID 4 _Sample.Name sample_4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'HSP 90 N-terminal domain, U-[2H, 15N, 12C]-Ala-[13C1H3]b; 20 mM Hepes, 150 mM NaCl, 1mM TCEP.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'N-terminal domain of HSP90-alpha' 'U-[2H, 15N, 12C]-Ala-[13C1H3]b' . . 1 $entity_1 . . . 0.15 0.18 mM . . . . 50786 4 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50786 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50786 4 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50786 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 50786 _Sample.ID 5 _Sample.Name sample_5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'HSP 90 N-terminal domain, U-[2H, 15N, 12C]-Met-[13C1H3]e; 20 mM Hepes, 150 mM NaCl, 1mM TCEP.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'N-terminal domain of HSP90-alpha' 'U-[2H, 15N, 12C]-Met-[13C1H3]e' . . 1 $entity_1 . . . 0.07 0.38 mM . . . . 50786 5 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50786 5 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50786 5 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50786 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 50786 _Sample.ID 6 _Sample.Name sample_6 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'HSP 90 N-terminal domain, U-[2H, 15N, 12C]-Ile-[13C1H3]d1; 20 mM Hepes, 150 mM NaCl, 1mM TCEP.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'N-terminal domain of HSP90-alpha' 'U-[2H, 15N, 12C]-Ile-[13C1H3]d1' . . 1 $entity_1 . . . 0.17 0.41 mM . . . . 50786 6 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50786 6 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50786 6 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50786 6 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 50786 _Sample.ID 7 _Sample.Name sample_7 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'HSP 90 N-terminal domain, U-[2H, 15N, 12C]-Thr-[13C1H3]g; 20 mM Hepes, 150 mM NaCl, 1mM TCEP.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'N-terminal domain of HSP90-alpha' 'U-[2H, 15N, 12C]-Thr-[13C1H3]g' . . 1 $entity_1 . . . 0.11 0.35 mM . . . . 50786 7 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50786 7 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50786 7 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50786 7 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 50786 _Sample.ID 8 _Sample.Name sample_8 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'HSP 90 N-terminal domain, U-[2H, 15N, 12C]-Leu/Val-[13C1H3]proS; 20 mM Hepes, 150 mM NaCl, 1mM TCEP.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'N-terminal domain of HSP90-alpha' 'U-[2H, 15N, 12C]-Leu/Val-[13C1H3]proS' . . 1 $entity_1 . . . 0.1 0.28 mM . . . . 50786 8 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50786 8 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50786 8 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50786 8 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 50786 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 50786 1 pH 7.5 . pH 50786 1 pressure 1 . atm 50786 1 temperature 298 . K 50786 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50786 _Sample_condition_list.ID 2 _Sample_condition_list.Name sample_conditions_2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 50786 2 pH* 7.8 . pH 50786 2 pressure 1 . atm 50786 2 temperature 298 . K 50786 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50786 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50786 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50786 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details ; NMRPipe: a multidimensional spectral processing system based on UNIX pipes Frank Delaglio, Stephan Grzesiek, Geerten. W. Vuister, Guang Zhu, John. Pfeifer, and Ad Bax, J. Biomol. NMR. 6, 277-293 (1995) ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50786 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50786 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2 _Software.DOI . _Software.Details ; The CCPN data model for NMR spectroscopy: Development of a software pipeline. Vranken WF, Boucher W, Stevens TJ, et al. Proteins Struct Funct Genet 59:687-696. (2005) ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50786 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50786 _Software.ID 4 _Software.Type . _Software.Name MAGIC _Software.Version . _Software.DOI . _Software.Details ; Monneau et al. Automatic methyl assignment in large proteins by the MAGIC algorithm. Journal of Biomolecular NMR volume 69, pages 215-227(2017). ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'methyl assignment' . 50786 4 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 50786 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 950' _NMR_spectrometer.Details 'equipped with 5 mm cryogenically cooled pulsed-field-gradient triple-resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50786 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 850' _NMR_spectrometer.Details 'equipped with a 1.7 mm cryogenically cooled pulsed-field-gradient triple-resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50786 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details 'equipped with 5 mm cryogenically cooled pulsed-field-gradient triple-resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 50786 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50786 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50786 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50786 1 4 '3D HN(CA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50786 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50786 1 6 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50786 1 7 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50786 1 8 '2D 1H-13C HMQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50786 1 9 '3D CCH HMQC-NOESY-HMQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50786 1 10 '2D 1H-13C HMQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50786 1 11 '3D HCC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50786 1 12 '3D HC(C)C' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50786 1 13 '3D HC(CC)C' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50786 1 14 '2D 1H-13C HMQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50786 1 15 '2D 1H-13C HMQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50786 1 16 '2D 1H-13C HMQC' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50786 1 17 '2D 1H-13C HMQC' no . . . . . . . . . . . . 7 $sample_8 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50786 1 18 '2D 1H-13C HMQC' no . . . . . . . . . . . . 8 $sample_9 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50786 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 50786 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shifts referenced to DSS' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 50786 1 H 1 DSS 'methyl protons' . . . . ppm 0 na indirect 1 . . . . 0.077 50786 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . -0.77 50786 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 50786 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shifts assignment of human N-HSP90 alpha1 form' _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 chemical shifts of Carbon methyls were corrected for the deuterium isotop effects. Venters et al. J. Mol. Biol. (1996) 264, 1101-1116. Assigned chemical shifts Ca, Cb and C' were corrected for the deuterium isotop effects. Venters et al. J. Mol. Biol. (1996) 264, 1101-1116. Assigned chemical shifts were corrected from the TROSY effects at 600 MHz. ; _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' . . . 50786 1 2 '3D HNCO' . . . 50786 1 3 '3D HNCA' . . . 50786 1 4 '3D HN(CA)CB' . . . 50786 1 5 '3D HN(CO)CA' . . . 50786 1 6 '3D HN(COCA)CB' . . . 50786 1 7 '3D HN(CA)CO' . . . 50786 1 8 '2D 1H-13C HMQC' . . . 50786 1 9 '3D CCH HMQC-NOESY-HMQC' . . . 50786 1 11 '3D HCC' . . . 50786 1 12 '3D HC(C)C' . . . 50786 1 13 '3D HC(CC)C' . . . 50786 1 14 '2D 1H-13C HMQC' . . . 50786 1 15 '2D 1H-13C HMQC' . . . 50786 1 16 '2D 1H-13C HMQC' . . . 50786 1 17 '2D 1H-13C HMQC' . . . 50786 1 18 '2D 1H-13C HMQC' . . . 50786 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 50786 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 12 12 MET HE1 H 1 2.12 0.05 . 1 . . . . . 12 MET ME . 50786 1 2 . 1 . 1 12 12 MET HE2 H 1 2.12 0.05 . 1 . . . . . 12 MET ME . 50786 1 3 . 1 . 1 12 12 MET HE3 H 1 2.12 0.05 . 1 . . . . . 12 MET ME . 50786 1 4 . 1 . 1 12 12 MET CE C 13 17.03 0.05 . 1 . . . . . 12 MET CE . 50786 1 5 . 1 . 1 17 17 VAL H H 1 8.06 0.05 . 1 . . . . . 17 VAL H . 50786 1 6 . 1 . 1 17 17 VAL HG21 H 1 0.89 0.05 . 1 . . . . . 17 VAL MG2 . 50786 1 7 . 1 . 1 17 17 VAL HG22 H 1 0.89 0.05 . 1 . . . . . 17 VAL MG2 . 50786 1 8 . 1 . 1 17 17 VAL HG23 H 1 0.89 0.05 . 1 . . . . . 17 VAL MG2 . 50786 1 9 . 1 . 1 17 17 VAL C C 13 175.44 0.05 . 1 . . . . . 17 VAL C . 50786 1 10 . 1 . 1 17 17 VAL CA C 13 61.8 0.05 . 1 . . . . . 17 VAL CA . 50786 1 11 . 1 . 1 17 17 VAL CB C 13 34.0 0.05 . 1 . . . . . 17 VAL CB . 50786 1 12 . 1 . 1 17 17 VAL CG2 C 13 21.07 0.05 . 1 . . . . . 17 VAL CG2 . 50786 1 13 . 1 . 1 17 17 VAL N N 15 120.81 0.05 . 1 . . . . . 17 VAL N . 50786 1 14 . 1 . 1 18 18 GLU H H 1 8.49 0.05 . 1 . . . . . 18 GLU H . 50786 1 15 . 1 . 1 18 18 GLU C C 13 174.71 0.05 . 1 . . . . . 18 GLU C . 50786 1 16 . 1 . 1 18 18 GLU CA C 13 55.98 0.05 . 1 . . . . . 18 GLU CA . 50786 1 17 . 1 . 1 18 18 GLU CB C 13 33.46 0.05 . 1 . . . . . 18 GLU CB . 50786 1 18 . 1 . 1 18 18 GLU N N 15 126.19 0.05 . 1 . . . . . 18 GLU N . 50786 1 19 . 1 . 1 19 19 THR H H 1 7.98 0.05 . 1 . . . . . 19 THR H . 50786 1 20 . 1 . 1 19 19 THR HG21 H 1 0.92 0.05 . 1 . . . . . 19 THR MG . 50786 1 21 . 1 . 1 19 19 THR HG22 H 1 0.92 0.05 . 1 . . . . . 19 THR MG . 50786 1 22 . 1 . 1 19 19 THR HG23 H 1 0.92 0.05 . 1 . . . . . 19 THR MG . 50786 1 23 . 1 . 1 19 19 THR C C 13 173.13 0.05 . 1 . . . . . 19 THR C . 50786 1 24 . 1 . 1 19 19 THR CA C 13 62.09 0.05 . 1 . . . . . 19 THR CA . 50786 1 25 . 1 . 1 19 19 THR CB C 13 69.98 0.05 . 1 . . . . . 19 THR CB . 50786 1 26 . 1 . 1 19 19 THR CG2 C 13 21.10 0.05 . 1 . . . . . 19 THR CG2 . 50786 1 27 . 1 . 1 19 19 THR N N 15 118.40 0.05 . 1 . . . . . 19 THR N . 50786 1 28 . 1 . 1 20 20 PHE H H 1 8.73 0.05 . 1 . . . . . 20 PHE H . 50786 1 29 . 1 . 1 20 20 PHE C C 13 173.86 0.05 . 1 . . . . . 20 PHE C . 50786 1 30 . 1 . 1 20 20 PHE CA C 13 56.09 0.05 . 1 . . . . . 20 PHE CA . 50786 1 31 . 1 . 1 20 20 PHE CB C 13 42.29 0.05 . 1 . . . . . 20 PHE CB . 50786 1 32 . 1 . 1 20 20 PHE N N 15 125.12 0.05 . 1 . . . . . 20 PHE N . 50786 1 33 . 1 . 1 21 21 ALA H H 1 8.29 0.05 . 1 . . . . . 21 ALA H . 50786 1 34 . 1 . 1 21 21 ALA HB1 H 1 1.36 0.05 . 1 . . . . . 21 ALA MB . 50786 1 35 . 1 . 1 21 21 ALA HB2 H 1 1.36 0.05 . 1 . . . . . 21 ALA MB . 50786 1 36 . 1 . 1 21 21 ALA HB3 H 1 1.36 0.05 . 1 . . . . . 21 ALA MB . 50786 1 37 . 1 . 1 21 21 ALA C C 13 179.41 0.05 . 1 . . . . . 21 ALA C . 50786 1 38 . 1 . 1 21 21 ALA CA C 13 50.91 0.05 . 1 . . . . . 21 ALA CA . 50786 1 39 . 1 . 1 21 21 ALA CB C 13 19.64 0.05 . 1 . . . . . 21 ALA CB . 50786 1 40 . 1 . 1 21 21 ALA N N 15 122.23 0.05 . 1 . . . . . 21 ALA N . 50786 1 41 . 1 . 1 22 22 PHE H H 1 7.71 0.05 . 1 . . . . . 22 PHE H . 50786 1 42 . 1 . 1 22 22 PHE C C 13 177.60 0.05 . 1 . . . . . 22 PHE C . 50786 1 43 . 1 . 1 22 22 PHE CA C 13 60.04 0.05 . 1 . . . . . 22 PHE CA . 50786 1 44 . 1 . 1 22 22 PHE CB C 13 40.69 0.05 . 1 . . . . . 22 PHE CB . 50786 1 45 . 1 . 1 22 22 PHE N N 15 118.47 0.05 . 1 . . . . . 22 PHE N . 50786 1 46 . 1 . 1 23 23 GLN H H 1 8.80 0.05 . 1 . . . . . 23 GLN H . 50786 1 47 . 1 . 1 23 23 GLN C C 13 178.13 0.05 . 1 . . . . . 23 GLN C . 50786 1 48 . 1 . 1 23 23 GLN CA C 13 57.87 0.05 . 1 . . . . . 23 GLN CA . 50786 1 49 . 1 . 1 23 23 GLN CB C 13 27.28 0.05 . 1 . . . . . 23 GLN CB . 50786 1 50 . 1 . 1 23 23 GLN N N 15 123.38 0.05 . 1 . . . . . 23 GLN N . 50786 1 51 . 1 . 1 24 24 ALA H H 1 8.88 0.05 . 1 . . . . . 24 ALA H . 50786 1 52 . 1 . 1 24 24 ALA HB1 H 1 1.49 0.05 . 1 . . . . . 24 ALA MB . 50786 1 53 . 1 . 1 24 24 ALA HB2 H 1 1.49 0.05 . 1 . . . . . 24 ALA MB . 50786 1 54 . 1 . 1 24 24 ALA HB3 H 1 1.49 0.05 . 1 . . . . . 24 ALA MB . 50786 1 55 . 1 . 1 24 24 ALA C C 13 180.36 0.05 . 1 . . . . . 24 ALA C . 50786 1 56 . 1 . 1 24 24 ALA CA C 13 56.96 0.05 . 1 . . . . . 24 ALA CA . 50786 1 57 . 1 . 1 24 24 ALA CB C 13 19.07 0.05 . 1 . . . . . 24 ALA CB . 50786 1 58 . 1 . 1 24 24 ALA N N 15 126.66 0.05 . 1 . . . . . 24 ALA N . 50786 1 59 . 1 . 1 26 26 ILE HD11 H 1 0.90 0.05 . 1 . . . . . 26 ILE MD . 50786 1 60 . 1 . 1 26 26 ILE HD12 H 1 0.90 0.05 . 1 . . . . . 26 ILE MD . 50786 1 61 . 1 . 1 26 26 ILE HD13 H 1 0.90 0.05 . 1 . . . . . 26 ILE MD . 50786 1 62 . 1 . 1 26 26 ILE CB C 13 36.91 0.05 . 1 . . . . . 26 ILE CB . 50786 1 63 . 1 . 1 26 26 ILE CD1 C 13 11.88 0.05 . 1 . . . . . 26 ILE CD1 . 50786 1 64 . 1 . 1 27 27 ALA HB1 H 1 1.48 0.05 . 1 . . . . . 27 ALA MB . 50786 1 65 . 1 . 1 27 27 ALA HB2 H 1 1.48 0.05 . 1 . . . . . 27 ALA MB . 50786 1 66 . 1 . 1 27 27 ALA HB3 H 1 1.48 0.05 . 1 . . . . . 27 ALA MB . 50786 1 67 . 1 . 1 27 27 ALA CA C 13 55.62 0.05 . 1 . . . . . 27 ALA CA . 50786 1 68 . 1 . 1 27 27 ALA CB C 13 17.56 0.05 . 1 . . . . . 27 ALA CB . 50786 1 69 . 1 . 1 28 28 GLN C C 13 178.77 0.05 . 1 . . . . . 28 GLN C . 50786 1 70 . 1 . 1 28 28 GLN CA C 13 59.09 0.05 . 1 . . . . . 28 GLN CA . 50786 1 71 . 1 . 1 28 28 GLN CB C 13 28.37 0.05 . 1 . . . . . 28 GLN CB . 50786 1 72 . 1 . 1 29 29 LEU H H 1 8.13 0.05 . 1 . . . . . 29 LEU H . 50786 1 73 . 1 . 1 29 29 LEU HD21 H 1 0.88 0.05 . 1 . . . . . 29 LEU MD2 . 50786 1 74 . 1 . 1 29 29 LEU HD22 H 1 0.88 0.05 . 1 . . . . . 29 LEU MD2 . 50786 1 75 . 1 . 1 29 29 LEU HD23 H 1 0.88 0.05 . 1 . . . . . 29 LEU MD2 . 50786 1 76 . 1 . 1 29 29 LEU C C 13 178.42 0.05 . 1 . . . . . 29 LEU C . 50786 1 77 . 1 . 1 29 29 LEU CA C 13 58.43 0.05 . 1 . . . . . 29 LEU CA . 50786 1 78 . 1 . 1 29 29 LEU CB C 13 41.13 0.05 . 1 . . . . . 29 LEU CB . 50786 1 79 . 1 . 1 29 29 LEU CD2 C 13 26.65 0.05 . 1 . . . . . 29 LEU CD2 . 50786 1 80 . 1 . 1 29 29 LEU N N 15 123.17 0.05 . 1 . . . . . 29 LEU N . 50786 1 81 . 1 . 1 30 30 MET H H 1 8.37 0.05 . 1 . . . . . 30 MET H . 50786 1 82 . 1 . 1 30 30 MET HE1 H 1 1.43 0.05 . 1 . . . . . 30 MET ME . 50786 1 83 . 1 . 1 30 30 MET HE2 H 1 1.43 0.05 . 1 . . . . . 30 MET ME . 50786 1 84 . 1 . 1 30 30 MET HE3 H 1 1.43 0.05 . 1 . . . . . 30 MET ME . 50786 1 85 . 1 . 1 30 30 MET C C 13 177.24 0.05 . 1 . . . . . 30 MET C . 50786 1 86 . 1 . 1 30 30 MET CA C 13 60.79 0.05 . 1 . . . . . 30 MET CA . 50786 1 87 . 1 . 1 30 30 MET CB C 13 33.65 0.05 . 1 . . . . . 30 MET CB . 50786 1 88 . 1 . 1 30 30 MET CE C 13 17.03 0.05 . 1 . . . . . 30 MET CE . 50786 1 89 . 1 . 1 30 30 MET N N 15 116.70 0.05 . 1 . . . . . 30 MET N . 50786 1 90 . 1 . 1 31 31 SER H H 1 7.66 0.05 . 1 . . . . . 31 SER H . 50786 1 91 . 1 . 1 31 31 SER CA C 13 61.67 0.05 . 1 . . . . . 31 SER CA . 50786 1 92 . 1 . 1 31 31 SER CB C 13 62.85 0.05 . 1 . . . . . 31 SER CB . 50786 1 93 . 1 . 1 31 31 SER N N 15 111.70 0.05 . 1 . . . . . 31 SER N . 50786 1 94 . 1 . 1 32 32 LEU H H 1 7.85 0.05 . 1 . . . . . 32 LEU H . 50786 1 95 . 1 . 1 32 32 LEU HD21 H 1 0.79 0.05 . 1 . . . . . 32 LEU MD2 . 50786 1 96 . 1 . 1 32 32 LEU HD22 H 1 0.79 0.05 . 1 . . . . . 32 LEU MD2 . 50786 1 97 . 1 . 1 32 32 LEU HD23 H 1 0.79 0.05 . 1 . . . . . 32 LEU MD2 . 50786 1 98 . 1 . 1 32 32 LEU C C 13 180.19 0.05 . 1 . . . . . 32 LEU C . 50786 1 99 . 1 . 1 32 32 LEU CA C 13 58.36 0.05 . 1 . . . . . 32 LEU CA . 50786 1 100 . 1 . 1 32 32 LEU CB C 13 42.31 0.05 . 1 . . . . . 32 LEU CB . 50786 1 101 . 1 . 1 32 32 LEU CD2 C 13 24.84 0.05 . 1 . . . . . 32 LEU CD2 . 50786 1 102 . 1 . 1 32 32 LEU N N 15 121.93 0.05 . 1 . . . . . 32 LEU N . 50786 1 103 . 1 . 1 33 33 ILE HD11 H 1 0.65 0.05 . 1 . . . . . 33 ILE MD . 50786 1 104 . 1 . 1 33 33 ILE HD12 H 1 0.65 0.05 . 1 . . . . . 33 ILE MD . 50786 1 105 . 1 . 1 33 33 ILE HD13 H 1 0.65 0.05 . 1 . . . . . 33 ILE MD . 50786 1 106 . 1 . 1 33 33 ILE C C 13 176.9 0.05 . 1 . . . . . 33 ILE C . 50786 1 107 . 1 . 1 33 33 ILE CA C 13 65.27 0.05 . 1 . . . . . 33 ILE CA . 50786 1 108 . 1 . 1 33 33 ILE CB C 13 38.18 0.05 . 1 . . . . . 33 ILE CB . 50786 1 109 . 1 . 1 33 33 ILE CD1 C 13 13.65 0.05 . 1 . . . . . 33 ILE CD1 . 50786 1 110 . 1 . 1 34 34 ILE H H 1 8.16 0.05 . 1 . . . . . 34 ILE H . 50786 1 111 . 1 . 1 34 34 ILE HD11 H 1 0.84 0.05 . 1 . . . . . 34 ILE MD . 50786 1 112 . 1 . 1 34 34 ILE HD12 H 1 0.84 0.05 . 1 . . . . . 34 ILE MD . 50786 1 113 . 1 . 1 34 34 ILE HD13 H 1 0.84 0.05 . 1 . . . . . 34 ILE MD . 50786 1 114 . 1 . 1 34 34 ILE C C 13 177.91 0.05 . 1 . . . . . 34 ILE C . 50786 1 115 . 1 . 1 34 34 ILE CA C 13 64.86 0.05 . 1 . . . . . 34 ILE CA . 50786 1 116 . 1 . 1 34 34 ILE CB C 13 39.29 0.05 . 1 . . . . . 34 ILE CB . 50786 1 117 . 1 . 1 34 34 ILE CD1 C 13 14.41 0.05 . 1 . . . . . 34 ILE CD1 . 50786 1 118 . 1 . 1 34 34 ILE N N 15 116.52 0.05 . 1 . . . . . 34 ILE N . 50786 1 119 . 1 . 1 35 35 ASN H H 1 7.72 0.05 . 1 . . . . . 35 ASN H . 50786 1 120 . 1 . 1 35 35 ASN C C 13 175.37 0.05 . 1 . . . . . 35 ASN C . 50786 1 121 . 1 . 1 35 35 ASN CA C 13 54.51 0.05 . 1 . . . . . 35 ASN CA . 50786 1 122 . 1 . 1 35 35 ASN CB C 13 40.35 0.05 . 1 . . . . . 35 ASN CB . 50786 1 123 . 1 . 1 35 35 ASN N N 15 114.45 0.05 . 1 . . . . . 35 ASN N . 50786 1 124 . 1 . 1 36 36 THR H H 1 7.35 0.05 . 1 . . . . . 36 THR H . 50786 1 125 . 1 . 1 36 36 THR HG21 H 1 1.00 0.05 . 1 . . . . . 36 THR MG . 50786 1 126 . 1 . 1 36 36 THR HG22 H 1 1.00 0.05 . 1 . . . . . 36 THR MG . 50786 1 127 . 1 . 1 36 36 THR HG23 H 1 1.00 0.05 . 1 . . . . . 36 THR MG . 50786 1 128 . 1 . 1 36 36 THR C C 13 173.06 0.05 . 1 . . . . . 36 THR C . 50786 1 129 . 1 . 1 36 36 THR CA C 13 63.00 0.05 . 1 . . . . . 36 THR CA . 50786 1 130 . 1 . 1 36 36 THR CB C 13 69.87 0.05 . 1 . . . . . 36 THR CB . 50786 1 131 . 1 . 1 36 36 THR CG2 C 13 20.89 0.05 . 1 . . . . . 36 THR CG2 . 50786 1 132 . 1 . 1 36 36 THR N N 15 116.71 0.05 . 1 . . . . . 36 THR N . 50786 1 133 . 1 . 1 40 40 ASN C C 13 174.97 0.05 . 1 . . . . . 40 ASN C . 50786 1 134 . 1 . 1 40 40 ASN CA C 13 52.35 0.05 . 1 . . . . . 40 ASN CA . 50786 1 135 . 1 . 1 40 40 ASN CB C 13 37.61 0.05 . 1 . . . . . 40 ASN CB . 50786 1 136 . 1 . 1 41 41 LYS H H 1 7.93 0.05 . 1 . . . . . 41 LYS H . 50786 1 137 . 1 . 1 41 41 LYS C C 13 177.20 0.05 . 1 . . . . . 41 LYS C . 50786 1 138 . 1 . 1 41 41 LYS CA C 13 59.45 0.05 . 1 . . . . . 41 LYS CA . 50786 1 139 . 1 . 1 41 41 LYS CB C 13 32.97 0.05 . 1 . . . . . 41 LYS CB . 50786 1 140 . 1 . 1 41 41 LYS N N 15 117.13 0.05 . 1 . . . . . 41 LYS N . 50786 1 141 . 1 . 1 42 42 GLU H H 1 8.43 0.05 . 1 . . . . . 42 GLU H . 50786 1 142 . 1 . 1 42 42 GLU C C 13 175.71 0.05 . 1 . . . . . 42 GLU C . 50786 1 143 . 1 . 1 42 42 GLU CA C 13 58.48 0.05 . 1 . . . . . 42 GLU CA . 50786 1 144 . 1 . 1 42 42 GLU CB C 13 29.33 0.05 . 1 . . . . . 42 GLU CB . 50786 1 145 . 1 . 1 42 42 GLU N N 15 114.36 0.05 . 1 . . . . . 42 GLU N . 50786 1 146 . 1 . 1 43 43 ILE H H 1 6.90 0.05 . 1 . . . . . 43 ILE H . 50786 1 147 . 1 . 1 43 43 ILE HD11 H 1 0.70 0.05 . 1 . . . . . 43 ILE MD . 50786 1 148 . 1 . 1 43 43 ILE HD12 H 1 0.70 0.05 . 1 . . . . . 43 ILE MD . 50786 1 149 . 1 . 1 43 43 ILE HD13 H 1 0.70 0.05 . 1 . . . . . 43 ILE MD . 50786 1 150 . 1 . 1 43 43 ILE C C 13 176.69 0.05 . 1 . . . . . 43 ILE C . 50786 1 151 . 1 . 1 43 43 ILE CA C 13 62.64 0.05 . 1 . . . . . 43 ILE CA . 50786 1 152 . 1 . 1 43 43 ILE CB C 13 38.52 0.05 . 1 . . . . . 43 ILE CB . 50786 1 153 . 1 . 1 43 43 ILE CD1 C 13 15.43 0.05 . 1 . . . . . 43 ILE CD1 . 50786 1 154 . 1 . 1 43 43 ILE N N 15 112.39 0.05 . 1 . . . . . 43 ILE N . 50786 1 155 . 1 . 1 44 44 PHE H H 1 7.99 0.05 . 1 . . . . . 44 PHE H . 50786 1 156 . 1 . 1 44 44 PHE C C 13 176.21 0.05 . 1 . . . . . 44 PHE C . 50786 1 157 . 1 . 1 44 44 PHE CA C 13 59.63 0.05 . 1 . . . . . 44 PHE CA . 50786 1 158 . 1 . 1 44 44 PHE N N 15 120.28 0.05 . 1 . . . . . 44 PHE N . 50786 1 159 . 1 . 1 45 45 LEU HD21 H 1 0.72 0.05 . 1 . . . . . 45 LEU MD2 . 50786 1 160 . 1 . 1 45 45 LEU HD22 H 1 0.72 0.05 . 1 . . . . . 45 LEU MD2 . 50786 1 161 . 1 . 1 45 45 LEU HD23 H 1 0.72 0.05 . 1 . . . . . 45 LEU MD2 . 50786 1 162 . 1 . 1 45 45 LEU C C 13 178.37 0.05 . 1 . . . . . 45 LEU C . 50786 1 163 . 1 . 1 45 45 LEU CA C 13 56.59 0.05 . 1 . . . . . 45 LEU CA . 50786 1 164 . 1 . 1 45 45 LEU CB C 13 40.96 0.05 . 1 . . . . . 45 LEU CB . 50786 1 165 . 1 . 1 45 45 LEU CD2 C 13 25.95 0.05 . 1 . . . . . 45 LEU CD2 . 50786 1 166 . 1 . 1 46 46 ARG H H 1 6.49 0.05 . 1 . . . . . 46 ARG H . 50786 1 167 . 1 . 1 46 46 ARG C C 13 179.26 0.05 . 1 . . . . . 46 ARG C . 50786 1 168 . 1 . 1 46 46 ARG CA C 13 58.83 0.05 . 1 . . . . . 46 ARG CA . 50786 1 169 . 1 . 1 46 46 ARG CB C 13 29.46 0.05 . 1 . . . . . 46 ARG CB . 50786 1 170 . 1 . 1 46 46 ARG N N 15 117.34 0.05 . 1 . . . . . 46 ARG N . 50786 1 171 . 1 . 1 47 47 GLU H H 1 7.74 0.05 . 1 . . . . . 47 GLU H . 50786 1 172 . 1 . 1 47 47 GLU C C 13 179.60 0.05 . 1 . . . . . 47 GLU C . 50786 1 173 . 1 . 1 47 47 GLU CA C 13 58.42 0.05 . 1 . . . . . 47 GLU CA . 50786 1 174 . 1 . 1 47 47 GLU CB C 13 28.68 0.05 . 1 . . . . . 47 GLU CB . 50786 1 175 . 1 . 1 47 47 GLU N N 15 116.77 0.05 . 1 . . . . . 47 GLU N . 50786 1 176 . 1 . 1 48 48 LEU H H 1 7.91 0.05 . 1 . . . . . 48 LEU H . 50786 1 177 . 1 . 1 48 48 LEU HD21 H 1 0.92 0.05 . 1 . . . . . 48 LEU MD2 . 50786 1 178 . 1 . 1 48 48 LEU HD22 H 1 0.92 0.05 . 1 . . . . . 48 LEU MD2 . 50786 1 179 . 1 . 1 48 48 LEU HD23 H 1 0.92 0.05 . 1 . . . . . 48 LEU MD2 . 50786 1 180 . 1 . 1 48 48 LEU C C 13 180.16 0.05 . 1 . . . . . 48 LEU C . 50786 1 181 . 1 . 1 48 48 LEU CA C 13 58.16 0.05 . 1 . . . . . 48 LEU CA . 50786 1 182 . 1 . 1 48 48 LEU CB C 13 40.90 0.05 . 1 . . . . . 48 LEU CB . 50786 1 183 . 1 . 1 48 48 LEU CD2 C 13 22.94 0.05 . 1 . . . . . 48 LEU CD2 . 50786 1 184 . 1 . 1 48 48 LEU N N 15 119.39 0.05 . 1 . . . . . 48 LEU N . 50786 1 185 . 1 . 1 49 49 ILE H H 1 8.26 0.05 . 1 . . . . . 49 ILE H . 50786 1 186 . 1 . 1 49 49 ILE HD11 H 1 0.77 0.05 . 1 . . . . . 49 ILE MD . 50786 1 187 . 1 . 1 49 49 ILE HD12 H 1 0.77 0.05 . 1 . . . . . 49 ILE MD . 50786 1 188 . 1 . 1 49 49 ILE HD13 H 1 0.77 0.05 . 1 . . . . . 49 ILE MD . 50786 1 189 . 1 . 1 49 49 ILE C C 13 178.06 0.05 . 1 . . . . . 49 ILE C . 50786 1 190 . 1 . 1 49 49 ILE CA C 13 66.51 0.05 . 1 . . . . . 49 ILE CA . 50786 1 191 . 1 . 1 49 49 ILE CB C 13 37.47 0.05 . 1 . . . . . 49 ILE CB . 50786 1 192 . 1 . 1 49 49 ILE CD1 C 13 14.16 0.05 . 1 . . . . . 49 ILE CD1 . 50786 1 193 . 1 . 1 49 49 ILE N N 15 119.92 0.05 . 1 . . . . . 49 ILE N . 50786 1 194 . 1 . 1 50 50 SER H H 1 8.27 0.05 . 1 . . . . . 50 SER H . 50786 1 195 . 1 . 1 50 50 SER CA C 13 62.35 0.05 . 1 . . . . . 50 SER CA . 50786 1 196 . 1 . 1 50 50 SER N N 15 116.75 0.05 . 1 . . . . . 50 SER N . 50786 1 197 . 1 . 1 52 52 SER C C 13 175.57 0.05 . 1 . . . . . 52 SER C . 50786 1 198 . 1 . 1 52 52 SER CA C 13 63.75 0.05 . 1 . . . . . 52 SER CA . 50786 1 199 . 1 . 1 52 52 SER CB C 13 63.31 0.05 . 1 . . . . . 52 SER CB . 50786 1 200 . 1 . 1 53 53 SER H H 1 8.59 0.05 . 1 . . . . . 53 SER H . 50786 1 201 . 1 . 1 53 53 SER C C 13 176.72 0.05 . 1 . . . . . 53 SER C . 50786 1 202 . 1 . 1 53 53 SER CA C 13 61.86 0.05 . 1 . . . . . 53 SER CA . 50786 1 203 . 1 . 1 53 53 SER CB C 13 63.30 0.05 . 1 . . . . . 53 SER CB . 50786 1 204 . 1 . 1 53 53 SER N N 15 115.93 0.05 . 1 . . . . . 53 SER N . 50786 1 205 . 1 . 1 54 54 ASP H H 1 8.21 0.05 . 1 . . . . . 54 ASP H . 50786 1 206 . 1 . 1 54 54 ASP C C 13 178.73 0.05 . 1 . . . . . 54 ASP C . 50786 1 207 . 1 . 1 54 54 ASP CA C 13 57.69 0.05 . 1 . . . . . 54 ASP CA . 50786 1 208 . 1 . 1 54 54 ASP CB C 13 40.49 0.05 . 1 . . . . . 54 ASP CB . 50786 1 209 . 1 . 1 54 54 ASP N N 15 119.49 0.05 . 1 . . . . . 54 ASP N . 50786 1 210 . 1 . 1 55 55 ALA H H 1 7.87 0.05 . 1 . . . . . 55 ALA H . 50786 1 211 . 1 . 1 55 55 ALA HB1 H 1 1.70 0.05 . 1 . . . . . 55 ALA MB . 50786 1 212 . 1 . 1 55 55 ALA HB2 H 1 1.70 0.05 . 1 . . . . . 55 ALA MB . 50786 1 213 . 1 . 1 55 55 ALA HB3 H 1 1.70 0.05 . 1 . . . . . 55 ALA MB . 50786 1 214 . 1 . 1 55 55 ALA C C 13 180.20 0.05 . 1 . . . . . 55 ALA C . 50786 1 215 . 1 . 1 55 55 ALA CA C 13 55.44 0.05 . 1 . . . . . 55 ALA CA . 50786 1 216 . 1 . 1 55 55 ALA CB C 13 19.14 0.05 . 1 . . . . . 55 ALA CB . 50786 1 217 . 1 . 1 55 55 ALA N N 15 122.95 0.05 . 1 . . . . . 55 ALA N . 50786 1 218 . 1 . 1 56 56 LEU H H 1 8.49 0.05 . 1 . . . . . 56 LEU H . 50786 1 219 . 1 . 1 56 56 LEU HD21 H 1 0.41 0.05 . 1 . . . . . 56 LEU MD2 . 50786 1 220 . 1 . 1 56 56 LEU HD22 H 1 0.41 0.05 . 1 . . . . . 56 LEU MD2 . 50786 1 221 . 1 . 1 56 56 LEU HD23 H 1 0.41 0.05 . 1 . . . . . 56 LEU MD2 . 50786 1 222 . 1 . 1 56 56 LEU C C 13 178.12 0.05 . 1 . . . . . 56 LEU C . 50786 1 223 . 1 . 1 56 56 LEU CA C 13 57.81 0.05 . 1 . . . . . 56 LEU CA . 50786 1 224 . 1 . 1 56 56 LEU CB C 13 40.98 0.05 . 1 . . . . . 56 LEU CB . 50786 1 225 . 1 . 1 56 56 LEU CD2 C 13 26.45 0.05 . 1 . . . . . 56 LEU CD2 . 50786 1 226 . 1 . 1 56 56 LEU N N 15 124.43 0.05 . 1 . . . . . 56 LEU N . 50786 1 227 . 1 . 1 57 57 ASP H H 1 8.84 0.05 . 1 . . . . . 57 ASP H . 50786 1 228 . 1 . 1 57 57 ASP C C 13 179.21 0.05 . 1 . . . . . 57 ASP C . 50786 1 229 . 1 . 1 57 57 ASP CA C 13 57.29 0.05 . 1 . . . . . 57 ASP CA . 50786 1 230 . 1 . 1 57 57 ASP CB C 13 39.87 0.05 . 1 . . . . . 57 ASP CB . 50786 1 231 . 1 . 1 57 57 ASP N N 15 119.67 0.05 . 1 . . . . . 57 ASP N . 50786 1 232 . 1 . 1 58 58 LYS H H 1 7.79 0.05 . 1 . . . . . 58 LYS H . 50786 1 233 . 1 . 1 58 58 LYS C C 13 179.87 0.05 . 1 . . . . . 58 LYS C . 50786 1 234 . 1 . 1 58 58 LYS CA C 13 60.51 0.05 . 1 . . . . . 58 LYS CA . 50786 1 235 . 1 . 1 58 58 LYS CB C 13 33.04 0.05 . 1 . . . . . 58 LYS CB . 50786 1 236 . 1 . 1 58 58 LYS N N 15 117.26 0.05 . 1 . . . . . 58 LYS N . 50786 1 237 . 1 . 1 59 59 ILE H H 1 7.39 0.05 . 1 . . . . . 59 ILE H . 50786 1 238 . 1 . 1 59 59 ILE HD11 H 1 0.88 0.05 . 1 . . . . . 59 ILE MD . 50786 1 239 . 1 . 1 59 59 ILE HD12 H 1 0.88 0.05 . 1 . . . . . 59 ILE MD . 50786 1 240 . 1 . 1 59 59 ILE HD13 H 1 0.88 0.05 . 1 . . . . . 59 ILE MD . 50786 1 241 . 1 . 1 59 59 ILE C C 13 176.41 0.05 . 1 . . . . . 59 ILE C . 50786 1 242 . 1 . 1 59 59 ILE CA C 13 60.50 0.05 . 1 . . . . . 59 ILE CA . 50786 1 243 . 1 . 1 59 59 ILE CB C 13 38.54 0.05 . 1 . . . . . 59 ILE CB . 50786 1 244 . 1 . 1 59 59 ILE CD1 C 13 14.62 0.05 . 1 . . . . . 59 ILE CD1 . 50786 1 245 . 1 . 1 59 59 ILE N N 15 116.92 0.05 . 1 . . . . . 59 ILE N . 50786 1 246 . 1 . 1 60 60 ARG H H 1 8.60 0.05 . 1 . . . . . 60 ARG H . 50786 1 247 . 1 . 1 60 60 ARG C C 13 179.93 0.05 . 1 . . . . . 60 ARG C . 50786 1 248 . 1 . 1 60 60 ARG CA C 13 60.31 0.05 . 1 . . . . . 60 ARG CA . 50786 1 249 . 1 . 1 60 60 ARG CB C 13 30.30 0.05 . 1 . . . . . 60 ARG CB . 50786 1 250 . 1 . 1 60 60 ARG N N 15 126.88 0.05 . 1 . . . . . 60 ARG N . 50786 1 251 . 1 . 1 61 61 TYR H H 1 8.71 0.05 . 1 . . . . . 61 TYR H . 50786 1 252 . 1 . 1 61 61 TYR C C 13 180.01 0.05 . 1 . . . . . 61 TYR C . 50786 1 253 . 1 . 1 61 61 TYR CA C 13 61.23 0.05 . 1 . . . . . 61 TYR CA . 50786 1 254 . 1 . 1 61 61 TYR CB C 13 37.54 0.05 . 1 . . . . . 61 TYR CB . 50786 1 255 . 1 . 1 61 61 TYR N N 15 118.34 0.05 . 1 . . . . . 61 TYR N . 50786 1 256 . 1 . 1 62 62 GLU H H 1 8.12 0.05 . 1 . . . . . 62 GLU H . 50786 1 257 . 1 . 1 62 62 GLU C C 13 180.09 0.05 . 1 . . . . . 62 GLU C . 50786 1 258 . 1 . 1 62 62 GLU CA C 13 60.41 0.05 . 1 . . . . . 62 GLU CA . 50786 1 259 . 1 . 1 62 62 GLU CB C 13 30.04 0.05 . 1 . . . . . 62 GLU CB . 50786 1 260 . 1 . 1 62 62 GLU N N 15 119.20 0.05 . 1 . . . . . 62 GLU N . 50786 1 261 . 1 . 1 63 63 SER H H 1 8.33 0.05 . 1 . . . . . 63 SER H . 50786 1 262 . 1 . 1 63 63 SER C C 13 175.22 0.05 . 1 . . . . . 63 SER C . 50786 1 263 . 1 . 1 63 63 SER CA C 13 60.30 0.05 . 1 . . . . . 63 SER CA . 50786 1 264 . 1 . 1 63 63 SER CB C 13 63.62 0.05 . 1 . . . . . 63 SER CB . 50786 1 265 . 1 . 1 63 63 SER N N 15 114.05 0.05 . 1 . . . . . 63 SER N . 50786 1 266 . 1 . 1 64 64 LEU H H 1 7.40 0.05 . 1 . . . . . 64 LEU H . 50786 1 267 . 1 . 1 64 64 LEU HD21 H 1 0.85 0.05 . 1 . . . . . 64 LEU MD2 . 50786 1 268 . 1 . 1 64 64 LEU HD22 H 1 0.85 0.05 . 1 . . . . . 64 LEU MD2 . 50786 1 269 . 1 . 1 64 64 LEU HD23 H 1 0.85 0.05 . 1 . . . . . 64 LEU MD2 . 50786 1 270 . 1 . 1 64 64 LEU C C 13 179.44 0.05 . 1 . . . . . 64 LEU C . 50786 1 271 . 1 . 1 64 64 LEU CA C 13 57.36 0.05 . 1 . . . . . 64 LEU CA . 50786 1 272 . 1 . 1 64 64 LEU CB C 13 41.75 0.05 . 1 . . . . . 64 LEU CB . 50786 1 273 . 1 . 1 64 64 LEU CD2 C 13 22.36 0.05 . 1 . . . . . 64 LEU CD2 . 50786 1 274 . 1 . 1 64 64 LEU N N 15 121.67 0.05 . 1 . . . . . 64 LEU N . 50786 1 275 . 1 . 1 65 65 THR H H 1 7.03 0.05 . 1 . . . . . 65 THR H . 50786 1 276 . 1 . 1 65 65 THR HG21 H 1 1.21 0.05 . 1 . . . . . 65 THR MG . 50786 1 277 . 1 . 1 65 65 THR HG22 H 1 1.21 0.05 . 1 . . . . . 65 THR MG . 50786 1 278 . 1 . 1 65 65 THR HG23 H 1 1.21 0.05 . 1 . . . . . 65 THR MG . 50786 1 279 . 1 . 1 65 65 THR C C 13 174.89 0.05 . 1 . . . . . 65 THR C . 50786 1 280 . 1 . 1 65 65 THR CA C 13 62.24 0.05 . 1 . . . . . 65 THR CA . 50786 1 281 . 1 . 1 65 65 THR CB C 13 69.72 0.05 . 1 . . . . . 65 THR CB . 50786 1 282 . 1 . 1 65 65 THR CG2 C 13 22.02 0.05 . 1 . . . . . 65 THR CG2 . 50786 1 283 . 1 . 1 65 65 THR N N 15 106.46 0.05 . 1 . . . . . 65 THR N . 50786 1 284 . 1 . 1 66 66 ASP H H 1 7.35 0.05 . 1 . . . . . 66 ASP H . 50786 1 285 . 1 . 1 66 66 ASP C C 13 173.69 0.05 . 1 . . . . . 66 ASP C . 50786 1 286 . 1 . 1 66 66 ASP CA C 13 51.42 0.05 . 1 . . . . . 66 ASP CA . 50786 1 287 . 1 . 1 66 66 ASP CB C 13 41.13 0.05 . 1 . . . . . 66 ASP CB . 50786 1 288 . 1 . 1 66 66 ASP N N 15 117.94 0.05 . 1 . . . . . 66 ASP N . 50786 1 289 . 1 . 1 67 67 PRO C C 13 179.27 0.05 . 1 . . . . . 67 PRO C . 50786 1 290 . 1 . 1 67 67 PRO CA C 13 64.89 0.05 . 1 . . . . . 67 PRO CA . 50786 1 291 . 1 . 1 67 67 PRO CB C 13 32.11 0.05 . 1 . . . . . 67 PRO CB . 50786 1 292 . 1 . 1 68 68 SER H H 1 8.09 0.05 . 1 . . . . . 68 SER H . 50786 1 293 . 1 . 1 68 68 SER C C 13 177.20 0.05 . 1 . . . . . 68 SER C . 50786 1 294 . 1 . 1 68 68 SER CA C 13 60.99 0.05 . 1 . . . . . 68 SER CA . 50786 1 295 . 1 . 1 68 68 SER CB C 13 62.97 0.05 . 1 . . . . . 68 SER CB . 50786 1 296 . 1 . 1 68 68 SER N N 15 115.05 0.05 . 1 . . . . . 68 SER N . 50786 1 297 . 1 . 1 69 69 LYS H H 1 7.88 0.05 . 1 . . . . . 69 LYS H . 50786 1 298 . 1 . 1 69 69 LYS C C 13 176.89 0.05 . 1 . . . . . 69 LYS C . 50786 1 299 . 1 . 1 69 69 LYS CA C 13 57.99 0.05 . 1 . . . . . 69 LYS CA . 50786 1 300 . 1 . 1 69 69 LYS CB C 13 32.60 0.05 . 1 . . . . . 69 LYS CB . 50786 1 301 . 1 . 1 69 69 LYS N N 15 123.15 0.05 . 1 . . . . . 69 LYS N . 50786 1 302 . 1 . 1 70 70 LEU H H 1 7.26 0.05 . 1 . . . . . 70 LEU H . 50786 1 303 . 1 . 1 70 70 LEU HD21 H 1 0.79 0.05 . 1 . . . . . 70 LEU MD2 . 50786 1 304 . 1 . 1 70 70 LEU HD22 H 1 0.79 0.05 . 1 . . . . . 70 LEU MD2 . 50786 1 305 . 1 . 1 70 70 LEU HD23 H 1 0.79 0.05 . 1 . . . . . 70 LEU MD2 . 50786 1 306 . 1 . 1 70 70 LEU C C 13 178.73 0.05 . 1 . . . . . 70 LEU C . 50786 1 307 . 1 . 1 70 70 LEU CA C 13 53.83 0.05 . 1 . . . . . 70 LEU CA . 50786 1 308 . 1 . 1 70 70 LEU CB C 13 40.79 0.05 . 1 . . . . . 70 LEU CB . 50786 1 309 . 1 . 1 70 70 LEU CD2 C 13 22.56 0.05 . 1 . . . . . 70 LEU CD2 . 50786 1 310 . 1 . 1 70 70 LEU N N 15 111.70 0.05 . 1 . . . . . 70 LEU N . 50786 1 311 . 1 . 1 71 71 ASP H H 1 8.04 0.05 . 1 . . . . . 71 ASP H . 50786 1 312 . 1 . 1 71 71 ASP C C 13 177.42 0.05 . 1 . . . . . 71 ASP C . 50786 1 313 . 1 . 1 71 71 ASP CA C 13 57.64 0.05 . 1 . . . . . 71 ASP CA . 50786 1 314 . 1 . 1 71 71 ASP CB C 13 39.47 0.05 . 1 . . . . . 71 ASP CB . 50786 1 315 . 1 . 1 71 71 ASP N N 15 123.38 0.05 . 1 . . . . . 71 ASP N . 50786 1 316 . 1 . 1 72 72 SER H H 1 7.48 0.05 . 1 . . . . . 72 SER H . 50786 1 317 . 1 . 1 72 72 SER C C 13 174.90 0.05 . 1 . . . . . 72 SER C . 50786 1 318 . 1 . 1 72 72 SER CA C 13 56.96 0.05 . 1 . . . . . 72 SER CA . 50786 1 319 . 1 . 1 72 72 SER CB C 13 62.40 0.05 . 1 . . . . . 72 SER CB . 50786 1 320 . 1 . 1 72 72 SER N N 15 108.99 0.05 . 1 . . . . . 72 SER N . 50786 1 321 . 1 . 1 73 73 GLY H H 1 7.69 0.05 . 1 . . . . . 73 GLY H . 50786 1 322 . 1 . 1 73 73 GLY C C 13 174.96 0.05 . 1 . . . . . 73 GLY C . 50786 1 323 . 1 . 1 73 73 GLY CA C 13 47.09 0.05 . 1 . . . . . 73 GLY CA . 50786 1 324 . 1 . 1 73 73 GLY N N 15 111.32 0.05 . 1 . . . . . 73 GLY N . 50786 1 325 . 1 . 1 74 74 LYS H H 1 8.90 0.05 . 1 . . . . . 74 LYS H . 50786 1 326 . 1 . 1 74 74 LYS C C 13 176.13 0.05 . 1 . . . . . 74 LYS C . 50786 1 327 . 1 . 1 74 74 LYS CA C 13 57.91 0.05 . 1 . . . . . 74 LYS CA . 50786 1 328 . 1 . 1 74 74 LYS CB C 13 33.50 0.05 . 1 . . . . . 74 LYS CB . 50786 1 329 . 1 . 1 74 74 LYS N N 15 127.03 0.05 . 1 . . . . . 74 LYS N . 50786 1 330 . 1 . 1 75 75 GLU H H 1 7.67 0.05 . 1 . . . . . 75 GLU H . 50786 1 331 . 1 . 1 75 75 GLU C C 13 177.25 0.05 . 1 . . . . . 75 GLU C . 50786 1 332 . 1 . 1 75 75 GLU CA C 13 56.74 0.05 . 1 . . . . . 75 GLU CA . 50786 1 333 . 1 . 1 75 75 GLU CB C 13 29.96 0.05 . 1 . . . . . 75 GLU CB . 50786 1 334 . 1 . 1 75 75 GLU N N 15 116.58 0.05 . 1 . . . . . 75 GLU N . 50786 1 335 . 1 . 1 76 76 LEU H H 1 8.68 0.05 . 1 . . . . . 76 LEU H . 50786 1 336 . 1 . 1 76 76 LEU HD21 H 1 0.59 0.05 . 1 . . . . . 76 LEU MD2 . 50786 1 337 . 1 . 1 76 76 LEU HD22 H 1 0.59 0.05 . 1 . . . . . 76 LEU MD2 . 50786 1 338 . 1 . 1 76 76 LEU HD23 H 1 0.59 0.05 . 1 . . . . . 76 LEU MD2 . 50786 1 339 . 1 . 1 76 76 LEU C C 13 173.87 0.05 . 1 . . . . . 76 LEU C . 50786 1 340 . 1 . 1 76 76 LEU CA C 13 54.03 0.05 . 1 . . . . . 76 LEU CA . 50786 1 341 . 1 . 1 76 76 LEU CB C 13 41.06 0.05 . 1 . . . . . 76 LEU CB . 50786 1 342 . 1 . 1 76 76 LEU CD2 C 13 24.05 0.05 . 1 . . . . . 76 LEU CD2 . 50786 1 343 . 1 . 1 76 76 LEU N N 15 127.19 0.05 . 1 . . . . . 76 LEU N . 50786 1 344 . 1 . 1 77 77 HIS H H 1 7.69 0.05 . 1 . . . . . 77 HIS H . 50786 1 345 . 1 . 1 77 77 HIS C C 13 172.61 0.05 . 1 . . . . . 77 HIS C . 50786 1 346 . 1 . 1 77 77 HIS CA C 13 54.65 0.05 . 1 . . . . . 77 HIS CA . 50786 1 347 . 1 . 1 77 77 HIS CB C 13 32.72 0.05 . 1 . . . . . 77 HIS CB . 50786 1 348 . 1 . 1 77 77 HIS N N 15 118.66 0.05 . 1 . . . . . 77 HIS N . 50786 1 349 . 1 . 1 78 78 ILE H H 1 8.22 0.05 . 1 . . . . . 78 ILE H . 50786 1 350 . 1 . 1 78 78 ILE HD11 H 1 0.77 0.05 . 1 . . . . . 78 ILE MD . 50786 1 351 . 1 . 1 78 78 ILE HD12 H 1 0.77 0.05 . 1 . . . . . 78 ILE MD . 50786 1 352 . 1 . 1 78 78 ILE HD13 H 1 0.77 0.05 . 1 . . . . . 78 ILE MD . 50786 1 353 . 1 . 1 78 78 ILE C C 13 175.01 0.05 . 1 . . . . . 78 ILE C . 50786 1 354 . 1 . 1 78 78 ILE CA C 13 60.68 0.05 . 1 . . . . . 78 ILE CA . 50786 1 355 . 1 . 1 78 78 ILE CB C 13 41.22 0.05 . 1 . . . . . 78 ILE CB . 50786 1 356 . 1 . 1 78 78 ILE CD1 C 13 14.96 0.05 . 1 . . . . . 78 ILE CD1 . 50786 1 357 . 1 . 1 78 78 ILE N N 15 117.66 0.05 . 1 . . . . . 78 ILE N . 50786 1 358 . 1 . 1 79 79 ASN H H 1 9.76 0.05 . 1 . . . . . 79 ASN H . 50786 1 359 . 1 . 1 79 79 ASN C C 13 173.62 0.05 . 1 . . . . . 79 ASN C . 50786 1 360 . 1 . 1 79 79 ASN CA C 13 51.14 0.05 . 1 . . . . . 79 ASN CA . 50786 1 361 . 1 . 1 79 79 ASN CB C 13 42.25 0.05 . 1 . . . . . 79 ASN CB . 50786 1 362 . 1 . 1 79 79 ASN N N 15 125.03 0.05 . 1 . . . . . 79 ASN N . 50786 1 363 . 1 . 1 80 80 LEU H H 1 9.04 0.05 . 1 . . . . . 80 LEU H . 50786 1 364 . 1 . 1 80 80 LEU HD21 H 1 0.85 0.05 . 1 . . . . . 80 LEU MD2 . 50786 1 365 . 1 . 1 80 80 LEU HD22 H 1 0.85 0.05 . 1 . . . . . 80 LEU MD2 . 50786 1 366 . 1 . 1 80 80 LEU HD23 H 1 0.85 0.05 . 1 . . . . . 80 LEU MD2 . 50786 1 367 . 1 . 1 80 80 LEU C C 13 176.34 0.05 . 1 . . . . . 80 LEU C . 50786 1 368 . 1 . 1 80 80 LEU CA C 13 53.44 0.05 . 1 . . . . . 80 LEU CA . 50786 1 369 . 1 . 1 80 80 LEU CB C 13 44.91 0.05 . 1 . . . . . 80 LEU CB . 50786 1 370 . 1 . 1 80 80 LEU CD2 C 13 25.88 0.05 . 1 . . . . . 80 LEU CD2 . 50786 1 371 . 1 . 1 80 80 LEU N N 15 121.99 0.05 . 1 . . . . . 80 LEU N . 50786 1 372 . 1 . 1 81 81 ILE H H 1 9.37 0.05 . 1 . . . . . 81 ILE H . 50786 1 373 . 1 . 1 81 81 ILE HD11 H 1 0.73 0.05 . 1 . . . . . 81 ILE MD . 50786 1 374 . 1 . 1 81 81 ILE HD12 H 1 0.73 0.05 . 1 . . . . . 81 ILE MD . 50786 1 375 . 1 . 1 81 81 ILE HD13 H 1 0.73 0.05 . 1 . . . . . 81 ILE MD . 50786 1 376 . 1 . 1 81 81 ILE C C 13 175.28 0.05 . 1 . . . . . 81 ILE C . 50786 1 377 . 1 . 1 81 81 ILE CA C 13 59.31 0.05 . 1 . . . . . 81 ILE CA . 50786 1 378 . 1 . 1 81 81 ILE CB C 13 41.98 0.05 . 1 . . . . . 81 ILE CB . 50786 1 379 . 1 . 1 81 81 ILE CD1 C 13 15.27 0.05 . 1 . . . . . 81 ILE CD1 . 50786 1 380 . 1 . 1 81 81 ILE N N 15 120.01 0.05 . 1 . . . . . 81 ILE N . 50786 1 381 . 1 . 1 82 82 PRO C C 13 175.97 0.05 . 1 . . . . . 82 PRO C . 50786 1 382 . 1 . 1 82 82 PRO CA C 13 62.39 0.05 . 1 . . . . . 82 PRO CA . 50786 1 383 . 1 . 1 82 82 PRO CB C 13 33.51 0.05 . 1 . . . . . 82 PRO CB . 50786 1 384 . 1 . 1 83 83 ASN H H 1 9.17 0.05 . 1 . . . . . 83 ASN H . 50786 1 385 . 1 . 1 83 83 ASN C C 13 175.62 0.05 . 1 . . . . . 83 ASN C . 50786 1 386 . 1 . 1 83 83 ASN CA C 13 52.77 0.05 . 1 . . . . . 83 ASN CA . 50786 1 387 . 1 . 1 83 83 ASN CB C 13 39.90 0.05 . 1 . . . . . 83 ASN CB . 50786 1 388 . 1 . 1 83 83 ASN N N 15 121.41 0.05 . 1 . . . . . 83 ASN N . 50786 1 389 . 1 . 1 84 84 LYS H H 1 9.46 0.05 . 1 . . . . . 84 LYS H . 50786 1 390 . 1 . 1 84 84 LYS C C 13 178.62 0.05 . 1 . . . . . 84 LYS C . 50786 1 391 . 1 . 1 84 84 LYS CA C 13 59.81 0.05 . 1 . . . . . 84 LYS CA . 50786 1 392 . 1 . 1 84 84 LYS CB C 13 32.97 0.05 . 1 . . . . . 84 LYS CB . 50786 1 393 . 1 . 1 84 84 LYS N N 15 124.87 0.05 . 1 . . . . . 84 LYS N . 50786 1 394 . 1 . 1 85 85 GLN H H 1 8.48 0.05 . 1 . . . . . 85 GLN H . 50786 1 395 . 1 . 1 85 85 GLN C C 13 177.78 0.05 . 1 . . . . . 85 GLN C . 50786 1 396 . 1 . 1 85 85 GLN CA C 13 59.32 0.05 . 1 . . . . . 85 GLN CA . 50786 1 397 . 1 . 1 85 85 GLN CB C 13 28.35 0.05 . 1 . . . . . 85 GLN CB . 50786 1 398 . 1 . 1 85 85 GLN N N 15 119.55 0.05 . 1 . . . . . 85 GLN N . 50786 1 399 . 1 . 1 86 86 ASP H H 1 7.69 0.05 . 1 . . . . . 86 ASP H . 50786 1 400 . 1 . 1 86 86 ASP C C 13 175.50 0.05 . 1 . . . . . 86 ASP C . 50786 1 401 . 1 . 1 86 86 ASP CA C 13 53.65 0.05 . 1 . . . . . 86 ASP CA . 50786 1 402 . 1 . 1 86 86 ASP CB C 13 40.88 0.05 . 1 . . . . . 86 ASP CB . 50786 1 403 . 1 . 1 86 86 ASP N N 15 116.34 0.05 . 1 . . . . . 86 ASP N . 50786 1 404 . 1 . 1 87 87 ARG H H 1 7.92 0.05 . 1 . . . . . 87 ARG H . 50786 1 405 . 1 . 1 87 87 ARG C C 13 174.75 0.05 . 1 . . . . . 87 ARG C . 50786 1 406 . 1 . 1 87 87 ARG CA C 13 57.41 0.05 . 1 . . . . . 87 ARG CA . 50786 1 407 . 1 . 1 87 87 ARG CB C 13 29.81 0.05 . 1 . . . . . 87 ARG CB . 50786 1 408 . 1 . 1 87 87 ARG N N 15 120.25 0.05 . 1 . . . . . 87 ARG N . 50786 1 409 . 1 . 1 88 88 THR H H 1 8.08 0.05 . 1 . . . . . 88 THR H . 50786 1 410 . 1 . 1 88 88 THR HG21 H 1 0.66 0.05 . 1 . . . . . 88 THR MG . 50786 1 411 . 1 . 1 88 88 THR HG22 H 1 0.66 0.05 . 1 . . . . . 88 THR MG . 50786 1 412 . 1 . 1 88 88 THR HG23 H 1 0.66 0.05 . 1 . . . . . 88 THR MG . 50786 1 413 . 1 . 1 88 88 THR C C 13 173.22 0.05 . 1 . . . . . 88 THR C . 50786 1 414 . 1 . 1 88 88 THR CA C 13 58.04 0.05 . 1 . . . . . 88 THR CA . 50786 1 415 . 1 . 1 88 88 THR CB C 13 73.08 0.05 . 1 . . . . . 88 THR CB . 50786 1 416 . 1 . 1 88 88 THR CG2 C 13 20.88 0.05 . 1 . . . . . 88 THR CG2 . 50786 1 417 . 1 . 1 88 88 THR N N 15 106.10 0.05 . 1 . . . . . 88 THR N . 50786 1 418 . 1 . 1 89 89 LEU HD21 H 1 1.15 0.05 . 1 . . . . . 89 LEU MD2 . 50786 1 419 . 1 . 1 89 89 LEU HD22 H 1 1.15 0.05 . 1 . . . . . 89 LEU MD2 . 50786 1 420 . 1 . 1 89 89 LEU HD23 H 1 1.15 0.05 . 1 . . . . . 89 LEU MD2 . 50786 1 421 . 1 . 1 89 89 LEU C C 13 174.57 0.05 . 1 . . . . . 89 LEU C . 50786 1 422 . 1 . 1 89 89 LEU CA C 13 53.79 0.05 . 1 . . . . . 89 LEU CA . 50786 1 423 . 1 . 1 89 89 LEU CB C 13 45.66 0.05 . 1 . . . . . 89 LEU CB . 50786 1 424 . 1 . 1 89 89 LEU CD2 C 13 25.99 0.05 . 1 . . . . . 89 LEU CD2 . 50786 1 425 . 1 . 1 90 90 THR H H 1 8.08 0.05 . 1 . . . . . 90 THR H . 50786 1 426 . 1 . 1 90 90 THR HG21 H 1 1.07 0.05 . 1 . . . . . 90 THR MG . 50786 1 427 . 1 . 1 90 90 THR HG22 H 1 1.07 0.05 . 1 . . . . . 90 THR MG . 50786 1 428 . 1 . 1 90 90 THR HG23 H 1 1.07 0.05 . 1 . . . . . 90 THR MG . 50786 1 429 . 1 . 1 90 90 THR C C 13 173.44 0.05 . 1 . . . . . 90 THR C . 50786 1 430 . 1 . 1 90 90 THR CA C 13 61.95 0.05 . 1 . . . . . 90 THR CA . 50786 1 431 . 1 . 1 90 90 THR CB C 13 70.16 0.05 . 1 . . . . . 90 THR CB . 50786 1 432 . 1 . 1 90 90 THR CG2 C 13 22.88 0.05 . 1 . . . . . 90 THR CG2 . 50786 1 433 . 1 . 1 90 90 THR N N 15 123.99 0.05 . 1 . . . . . 90 THR N . 50786 1 434 . 1 . 1 91 91 ILE H H 1 9.47 0.05 . 1 . . . . . 91 ILE H . 50786 1 435 . 1 . 1 91 91 ILE HD11 H 1 0.82 0.05 . 1 . . . . . 91 ILE MD . 50786 1 436 . 1 . 1 91 91 ILE HD12 H 1 0.82 0.05 . 1 . . . . . 91 ILE MD . 50786 1 437 . 1 . 1 91 91 ILE HD13 H 1 0.82 0.05 . 1 . . . . . 91 ILE MD . 50786 1 438 . 1 . 1 91 91 ILE C C 13 175.38 0.05 . 1 . . . . . 91 ILE C . 50786 1 439 . 1 . 1 91 91 ILE CA C 13 60.74 0.05 . 1 . . . . . 91 ILE CA . 50786 1 440 . 1 . 1 91 91 ILE CB C 13 40.48 0.05 . 1 . . . . . 91 ILE CB . 50786 1 441 . 1 . 1 91 91 ILE CD1 C 13 16.47 0.05 . 1 . . . . . 91 ILE CD1 . 50786 1 442 . 1 . 1 91 91 ILE N N 15 127.67 0.05 . 1 . . . . . 91 ILE N . 50786 1 443 . 1 . 1 92 92 VAL H H 1 9.66 0.05 . 1 . . . . . 92 VAL H . 50786 1 444 . 1 . 1 92 92 VAL HG21 H 1 0.94 0.05 . 1 . . . . . 92 VAL MG2 . 50786 1 445 . 1 . 1 92 92 VAL HG22 H 1 0.94 0.05 . 1 . . . . . 92 VAL MG2 . 50786 1 446 . 1 . 1 92 92 VAL HG23 H 1 0.94 0.05 . 1 . . . . . 92 VAL MG2 . 50786 1 447 . 1 . 1 92 92 VAL C C 13 174.17 0.05 . 1 . . . . . 92 VAL C . 50786 1 448 . 1 . 1 92 92 VAL CA C 13 60.80 0.05 . 1 . . . . . 92 VAL CA . 50786 1 449 . 1 . 1 92 92 VAL CB C 13 35.27 0.05 . 1 . . . . . 92 VAL CB . 50786 1 450 . 1 . 1 92 92 VAL CG2 C 13 22.51 0.05 . 1 . . . . . 92 VAL CG2 . 50786 1 451 . 1 . 1 92 92 VAL N N 15 129.58 0.05 . 1 . . . . . 92 VAL N . 50786 1 452 . 1 . 1 93 93 ASP H H 1 9.50 0.05 . 1 . . . . . 93 ASP H . 50786 1 453 . 1 . 1 93 93 ASP C C 13 176.21 0.05 . 1 . . . . . 93 ASP C . 50786 1 454 . 1 . 1 93 93 ASP CA C 13 52.78 0.05 . 1 . . . . . 93 ASP CA . 50786 1 455 . 1 . 1 93 93 ASP CB C 13 46.59 0.05 . 1 . . . . . 93 ASP CB . 50786 1 456 . 1 . 1 93 93 ASP N N 15 123.26 0.05 . 1 . . . . . 93 ASP N . 50786 1 457 . 1 . 1 94 94 THR H H 1 7.27 0.05 . 1 . . . . . 94 THR H . 50786 1 458 . 1 . 1 94 94 THR HG21 H 1 1.14 0.05 . 1 . . . . . 94 THR MG . 50786 1 459 . 1 . 1 94 94 THR HG22 H 1 1.14 0.05 . 1 . . . . . 94 THR MG . 50786 1 460 . 1 . 1 94 94 THR HG23 H 1 1.14 0.05 . 1 . . . . . 94 THR MG . 50786 1 461 . 1 . 1 94 94 THR C C 13 174.90 0.05 . 1 . . . . . 94 THR C . 50786 1 462 . 1 . 1 94 94 THR CA C 13 59.08 0.05 . 1 . . . . . 94 THR CA . 50786 1 463 . 1 . 1 94 94 THR CB C 13 66.58 0.05 . 1 . . . . . 94 THR CB . 50786 1 464 . 1 . 1 94 94 THR CG2 C 13 23.56 0.05 . 1 . . . . . 94 THR CG2 . 50786 1 465 . 1 . 1 94 94 THR N N 15 108.90 0.05 . 1 . . . . . 94 THR N . 50786 1 466 . 1 . 1 95 95 GLY H H 1 9.57 0.05 . 1 . . . . . 95 GLY H . 50786 1 467 . 1 . 1 95 95 GLY C C 13 172.46 0.05 . 1 . . . . . 95 GLY C . 50786 1 468 . 1 . 1 95 95 GLY CA C 13 44.87 0.05 . 1 . . . . . 95 GLY CA . 50786 1 469 . 1 . 1 95 95 GLY N N 15 108.73 0.05 . 1 . . . . . 95 GLY N . 50786 1 470 . 1 . 1 96 96 ILE H H 1 6.88 0.05 . 1 . . . . . 96 ILE H . 50786 1 471 . 1 . 1 96 96 ILE HD11 H 1 0.85 0.05 . 1 . . . . . 96 ILE MD . 50786 1 472 . 1 . 1 96 96 ILE HD12 H 1 0.85 0.05 . 1 . . . . . 96 ILE MD . 50786 1 473 . 1 . 1 96 96 ILE HD13 H 1 0.85 0.05 . 1 . . . . . 96 ILE MD . 50786 1 474 . 1 . 1 96 96 ILE C C 13 173.41 0.05 . 1 . . . . . 96 ILE C . 50786 1 475 . 1 . 1 96 96 ILE CA C 13 62.89 0.05 . 1 . . . . . 96 ILE CA . 50786 1 476 . 1 . 1 96 96 ILE CB C 13 40.83 0.05 . 1 . . . . . 96 ILE CB . 50786 1 477 . 1 . 1 96 96 ILE CD1 C 13 15.77 0.05 . 1 . . . . . 96 ILE CD1 . 50786 1 478 . 1 . 1 96 96 ILE N N 15 115.66 0.05 . 1 . . . . . 96 ILE N . 50786 1 479 . 1 . 1 97 97 GLY H H 1 7.71 0.05 . 1 . . . . . 97 GLY H . 50786 1 480 . 1 . 1 97 97 GLY C C 13 173.14 0.05 . 1 . . . . . 97 GLY C . 50786 1 481 . 1 . 1 97 97 GLY CA C 13 44.18 0.05 . 1 . . . . . 97 GLY CA . 50786 1 482 . 1 . 1 97 97 GLY N N 15 103.50 0.05 . 1 . . . . . 97 GLY N . 50786 1 483 . 1 . 1 98 98 MET H H 1 7.72 0.05 . 1 . . . . . 98 MET H . 50786 1 484 . 1 . 1 98 98 MET HE1 H 1 1.74 0.05 . 1 . . . . . 98 MET ME . 50786 1 485 . 1 . 1 98 98 MET HE2 H 1 1.74 0.05 . 1 . . . . . 98 MET ME . 50786 1 486 . 1 . 1 98 98 MET HE3 H 1 1.74 0.05 . 1 . . . . . 98 MET ME . 50786 1 487 . 1 . 1 98 98 MET C C 13 175.28 0.05 . 1 . . . . . 98 MET C . 50786 1 488 . 1 . 1 98 98 MET CA C 13 55.57 0.05 . 1 . . . . . 98 MET CA . 50786 1 489 . 1 . 1 98 98 MET CB C 13 37.69 0.05 . 1 . . . . . 98 MET CB . 50786 1 490 . 1 . 1 98 98 MET CE C 13 17.73 0.05 . 1 . . . . . 98 MET CE . 50786 1 491 . 1 . 1 98 98 MET N N 15 116.80 0.05 . 1 . . . . . 98 MET N . 50786 1 492 . 1 . 1 99 99 THR H H 1 8.09 0.05 . 1 . . . . . 99 THR H . 50786 1 493 . 1 . 1 99 99 THR HG21 H 1 0.67 0.05 . 1 . . . . . 99 THR MG . 50786 1 494 . 1 . 1 99 99 THR HG22 H 1 0.67 0.05 . 1 . . . . . 99 THR MG . 50786 1 495 . 1 . 1 99 99 THR HG23 H 1 0.67 0.05 . 1 . . . . . 99 THR MG . 50786 1 496 . 1 . 1 99 99 THR C C 13 174.11 0.05 . 1 . . . . . 99 THR C . 50786 1 497 . 1 . 1 99 99 THR CA C 13 61.16 0.05 . 1 . . . . . 99 THR CA . 50786 1 498 . 1 . 1 99 99 THR CB C 13 70.90 0.05 . 1 . . . . . 99 THR CB . 50786 1 499 . 1 . 1 99 99 THR CG2 C 13 21.09 0.05 . 1 . . . . . 99 THR CG2 . 50786 1 500 . 1 . 1 99 99 THR N N 15 112.05 0.05 . 1 . . . . . 99 THR N . 50786 1 501 . 1 . 1 101 101 ALA HB1 H 1 1.21 0.05 . 1 . . . . . 101 ALA MB . 50786 1 502 . 1 . 1 101 101 ALA HB2 H 1 1.21 0.05 . 1 . . . . . 101 ALA MB . 50786 1 503 . 1 . 1 101 101 ALA HB3 H 1 1.21 0.05 . 1 . . . . . 101 ALA MB . 50786 1 504 . 1 . 1 101 101 ALA CA C 13 54.82 0.05 . 1 . . . . . 101 ALA CA . 50786 1 505 . 1 . 1 101 101 ALA CB C 13 18.03 0.05 . 1 . . . . . 101 ALA CB . 50786 1 506 . 1 . 1 102 102 ASP C C 13 178.17 0.05 . 1 . . . . . 102 ASP C . 50786 1 507 . 1 . 1 102 102 ASP CA C 13 57.25 0.05 . 1 . . . . . 102 ASP CA . 50786 1 508 . 1 . 1 102 102 ASP CB C 13 40.61 0.05 . 1 . . . . . 102 ASP CB . 50786 1 509 . 1 . 1 103 103 LEU HD21 H 1 0.80 0.05 . 1 . . . . . 103 LEU MD2 . 50786 1 510 . 1 . 1 103 103 LEU HD22 H 1 0.80 0.05 . 1 . . . . . 103 LEU MD2 . 50786 1 511 . 1 . 1 103 103 LEU HD23 H 1 0.80 0.05 . 1 . . . . . 103 LEU MD2 . 50786 1 512 . 1 . 1 103 103 LEU CA C 13 57.84 0.05 . 1 . . . . . 103 LEU CA . 50786 1 513 . 1 . 1 103 103 LEU CB C 13 43.46 0.05 . 1 . . . . . 103 LEU CB . 50786 1 514 . 1 . 1 103 103 LEU CD2 C 13 25.45 0.05 . 1 . . . . . 103 LEU CD2 . 50786 1 515 . 1 . 1 104 104 ILE HD11 H 1 0.59 0.05 . 1 . . . . . 104 ILE MD . 50786 1 516 . 1 . 1 104 104 ILE HD12 H 1 0.59 0.05 . 1 . . . . . 104 ILE MD . 50786 1 517 . 1 . 1 104 104 ILE HD13 H 1 0.59 0.05 . 1 . . . . . 104 ILE MD . 50786 1 518 . 1 . 1 104 104 ILE CA C 13 65.37 0.05 . 1 . . . . . 104 ILE CA . 50786 1 519 . 1 . 1 104 104 ILE CB C 13 38.18 0.05 . 1 . . . . . 104 ILE CB . 50786 1 520 . 1 . 1 104 104 ILE CD1 C 13 15.11 0.05 . 1 . . . . . 104 ILE CD1 . 50786 1 521 . 1 . 1 107 107 LEU HD21 H 1 -0.85 0.05 . 1 . . . . . 107 LEU MD2 . 50786 1 522 . 1 . 1 107 107 LEU HD22 H 1 -0.85 0.05 . 1 . . . . . 107 LEU MD2 . 50786 1 523 . 1 . 1 107 107 LEU HD23 H 1 -0.85 0.05 . 1 . . . . . 107 LEU MD2 . 50786 1 524 . 1 . 1 107 107 LEU CA C 13 54.69 0.05 . 1 . . . . . 107 LEU CA . 50786 1 525 . 1 . 1 107 107 LEU CB C 13 39.46 0.05 . 1 . . . . . 107 LEU CB . 50786 1 526 . 1 . 1 107 107 LEU CD2 C 13 21.78 0.05 . 1 . . . . . 107 LEU CG . 50786 1 527 . 1 . 1 109 109 THR HG21 H 1 1.44 0.05 . 1 . . . . . 109 THR MG . 50786 1 528 . 1 . 1 109 109 THR HG22 H 1 1.44 0.05 . 1 . . . . . 109 THR MG . 50786 1 529 . 1 . 1 109 109 THR HG23 H 1 1.44 0.05 . 1 . . . . . 109 THR MG . 50786 1 530 . 1 . 1 109 109 THR CB C 13 70.81 0.05 . 1 . . . . . 109 THR CB . 50786 1 531 . 1 . 1 109 109 THR CG2 C 13 22.30 0.05 . 1 . . . . . 109 THR CG2 . 50786 1 532 . 1 . 1 110 110 ILE HD11 H 1 0.82 0.05 . 1 . . . . . 110 ILE MD . 50786 1 533 . 1 . 1 110 110 ILE HD12 H 1 0.82 0.05 . 1 . . . . . 110 ILE MD . 50786 1 534 . 1 . 1 110 110 ILE HD13 H 1 0.82 0.05 . 1 . . . . . 110 ILE MD . 50786 1 535 . 1 . 1 110 110 ILE CB C 13 39.08 0.05 . 1 . . . . . 110 ILE CB . 50786 1 536 . 1 . 1 110 110 ILE CD1 C 13 12.11 0.05 . 1 . . . . . 110 ILE CD1 . 50786 1 537 . 1 . 1 111 111 ALA HB1 H 1 1.42 0.05 . 1 . . . . . 111 ALA MB . 50786 1 538 . 1 . 1 111 111 ALA HB2 H 1 1.42 0.05 . 1 . . . . . 111 ALA MB . 50786 1 539 . 1 . 1 111 111 ALA HB3 H 1 1.42 0.05 . 1 . . . . . 111 ALA MB . 50786 1 540 . 1 . 1 111 111 ALA CA C 13 52.52 0.05 . 1 . . . . . 111 ALA CA . 50786 1 541 . 1 . 1 111 111 ALA CB C 13 18.85 0.05 . 1 . . . . . 111 ALA CB . 50786 1 542 . 1 . 1 115 115 THR HG21 H 1 1.10 0.05 . 1 . . . . . 115 THR MG . 50786 1 543 . 1 . 1 115 115 THR HG22 H 1 1.10 0.05 . 1 . . . . . 115 THR MG . 50786 1 544 . 1 . 1 115 115 THR HG23 H 1 1.10 0.05 . 1 . . . . . 115 THR MG . 50786 1 545 . 1 . 1 115 115 THR CB C 13 68.21 0.05 . 1 . . . . . 115 THR CB . 50786 1 546 . 1 . 1 115 115 THR CG2 C 13 23.84 0.05 . 1 . . . . . 115 THR CG2 . 50786 1 547 . 1 . 1 116 116 LYS C C 13 178.77 0.05 . 1 . . . . . 116 LYS C . 50786 1 548 . 1 . 1 116 116 LYS CA C 13 59.89 0.05 . 1 . . . . . 116 LYS CA . 50786 1 549 . 1 . 1 116 116 LYS CB C 13 32.31 0.05 . 1 . . . . . 116 LYS CB . 50786 1 550 . 1 . 1 117 117 ALA H H 1 7.91 0.05 . 1 . . . . . 117 ALA H . 50786 1 551 . 1 . 1 117 117 ALA HB1 H 1 1.65 0.05 . 1 . . . . . 117 ALA MB . 50786 1 552 . 1 . 1 117 117 ALA HB2 H 1 1.65 0.05 . 1 . . . . . 117 ALA MB . 50786 1 553 . 1 . 1 117 117 ALA HB3 H 1 1.65 0.05 . 1 . . . . . 117 ALA MB . 50786 1 554 . 1 . 1 117 117 ALA C C 13 180.88 0.05 . 1 . . . . . 117 ALA C . 50786 1 555 . 1 . 1 117 117 ALA CA C 13 54.91 0.05 . 1 . . . . . 117 ALA CA . 50786 1 556 . 1 . 1 117 117 ALA CB C 13 18.34 0.05 . 1 . . . . . 117 ALA CB . 50786 1 557 . 1 . 1 117 117 ALA N N 15 120.42 0.05 . 1 . . . . . 117 ALA N . 50786 1 558 . 1 . 1 118 118 PHE H H 1 8.35 0.05 . 1 . . . . . 118 PHE H . 50786 1 559 . 1 . 1 118 118 PHE C C 13 176.69 0.05 . 1 . . . . . 118 PHE C . 50786 1 560 . 1 . 1 118 118 PHE CA C 13 59.29 0.05 . 1 . . . . . 118 PHE CA . 50786 1 561 . 1 . 1 118 118 PHE CB C 13 37.98 0.05 . 1 . . . . . 118 PHE CB . 50786 1 562 . 1 . 1 118 118 PHE N N 15 119.95 0.05 . 1 . . . . . 118 PHE N . 50786 1 563 . 1 . 1 119 119 MET H H 1 7.88 0.05 . 1 . . . . . 119 MET H . 50786 1 564 . 1 . 1 119 119 MET HE1 H 1 2.04 0.05 . 1 . . . . . 119 MET ME . 50786 1 565 . 1 . 1 119 119 MET HE2 H 1 2.04 0.05 . 1 . . . . . 119 MET ME . 50786 1 566 . 1 . 1 119 119 MET HE3 H 1 2.04 0.05 . 1 . . . . . 119 MET ME . 50786 1 567 . 1 . 1 119 119 MET C C 13 179.22 0.05 . 1 . . . . . 119 MET C . 50786 1 568 . 1 . 1 119 119 MET CA C 13 59.82 0.05 . 1 . . . . . 119 MET CA . 50786 1 569 . 1 . 1 119 119 MET CB C 13 32.73 0.05 . 1 . . . . . 119 MET CB . 50786 1 570 . 1 . 1 119 119 MET CE C 13 16.78 0.05 . 1 . . . . . 119 MET CE . 50786 1 571 . 1 . 1 119 119 MET N N 15 117.19 0.05 . 1 . . . . . 119 MET N . 50786 1 572 . 1 . 1 120 120 GLU H H 1 8.11 0.05 . 1 . . . . . 120 GLU H . 50786 1 573 . 1 . 1 120 120 GLU C C 13 179.60 0.05 . 1 . . . . . 120 GLU C . 50786 1 574 . 1 . 1 120 120 GLU CA C 13 59.55 0.05 . 1 . . . . . 120 GLU CA . 50786 1 575 . 1 . 1 120 120 GLU CB C 13 29.22 0.05 . 1 . . . . . 120 GLU CB . 50786 1 576 . 1 . 1 120 120 GLU N N 15 118.53 0.05 . 1 . . . . . 120 GLU N . 50786 1 577 . 1 . 1 121 121 ALA H H 1 7.82 0.05 . 1 . . . . . 121 ALA H . 50786 1 578 . 1 . 1 121 121 ALA HB1 H 1 1.35 0.05 . 1 . . . . . 121 ALA MB . 50786 1 579 . 1 . 1 121 121 ALA HB2 H 1 1.35 0.05 . 1 . . . . . 121 ALA MB . 50786 1 580 . 1 . 1 121 121 ALA HB3 H 1 1.35 0.05 . 1 . . . . . 121 ALA MB . 50786 1 581 . 1 . 1 121 121 ALA C C 13 181.31 0.05 . 1 . . . . . 121 ALA C . 50786 1 582 . 1 . 1 121 121 ALA CA C 13 55.24 0.05 . 1 . . . . . 121 ALA CA . 50786 1 583 . 1 . 1 121 121 ALA CB C 13 16.94 0.05 . 1 . . . . . 121 ALA CB . 50786 1 584 . 1 . 1 121 121 ALA N N 15 123.94 0.05 . 1 . . . . . 121 ALA N . 50786 1 585 . 1 . 1 122 122 LEU H H 1 8.34 0.05 . 1 . . . . . 122 LEU H . 50786 1 586 . 1 . 1 122 122 LEU HD21 H 1 0.41 0.05 . 1 . . . . . 122 LEU MD2 . 50786 1 587 . 1 . 1 122 122 LEU HD22 H 1 0.41 0.05 . 1 . . . . . 122 LEU MD2 . 50786 1 588 . 1 . 1 122 122 LEU HD23 H 1 0.41 0.05 . 1 . . . . . 122 LEU MD2 . 50786 1 589 . 1 . 1 122 122 LEU C C 13 181.77 0.05 . 1 . . . . . 122 LEU C . 50786 1 590 . 1 . 1 122 122 LEU CA C 13 57.69 0.05 . 1 . . . . . 122 LEU CA . 50786 1 591 . 1 . 1 122 122 LEU CB C 13 41.65 0.05 . 1 . . . . . 122 LEU CB . 50786 1 592 . 1 . 1 122 122 LEU CD2 C 13 22.74 0.05 . 1 . . . . . 122 LEU CD2 . 50786 1 593 . 1 . 1 122 122 LEU N N 15 119.95 0.05 . 1 . . . . . 122 LEU N . 50786 1 594 . 1 . 1 123 123 GLN H H 1 7.83 0.05 . 1 . . . . . 123 GLN H . 50786 1 595 . 1 . 1 123 123 GLN C C 13 176.92 0.05 . 1 . . . . . 123 GLN C . 50786 1 596 . 1 . 1 123 123 GLN CA C 13 58.44 0.05 . 1 . . . . . 123 GLN CA . 50786 1 597 . 1 . 1 123 123 GLN CB C 13 28.43 0.05 . 1 . . . . . 123 GLN CB . 50786 1 598 . 1 . 1 123 123 GLN N N 15 119.22 0.05 . 1 . . . . . 123 GLN N . 50786 1 599 . 1 . 1 124 124 ALA H H 1 7.43 0.05 . 1 . . . . . 124 ALA H . 50786 1 600 . 1 . 1 124 124 ALA HB1 H 1 1.51 0.05 . 1 . . . . . 124 ALA MB . 50786 1 601 . 1 . 1 124 124 ALA HB2 H 1 1.51 0.05 . 1 . . . . . 124 ALA MB . 50786 1 602 . 1 . 1 124 124 ALA HB3 H 1 1.51 0.05 . 1 . . . . . 124 ALA MB . 50786 1 603 . 1 . 1 124 124 ALA C C 13 177.85 0.05 . 1 . . . . . 124 ALA C . 50786 1 604 . 1 . 1 124 124 ALA CA C 13 52.04 0.05 . 1 . . . . . 124 ALA CA . 50786 1 605 . 1 . 1 124 124 ALA CB C 13 18.93 0.05 . 1 . . . . . 124 ALA CB . 50786 1 606 . 1 . 1 124 124 ALA N N 15 120.13 0.05 . 1 . . . . . 124 ALA N . 50786 1 607 . 1 . 1 125 125 GLY H H 1 7.68 0.05 . 1 . . . . . 125 GLY H . 50786 1 608 . 1 . 1 125 125 GLY C C 13 175.04 0.05 . 1 . . . . . 125 GLY C . 50786 1 609 . 1 . 1 125 125 GLY CA C 13 45.71 0.05 . 1 . . . . . 125 GLY CA . 50786 1 610 . 1 . 1 125 125 GLY N N 15 105.96 0.05 . 1 . . . . . 125 GLY N . 50786 1 611 . 1 . 1 126 126 ALA H H 1 8.14 0.05 . 1 . . . . . 126 ALA H . 50786 1 612 . 1 . 1 126 126 ALA HB1 H 1 1.27 0.05 . 1 . . . . . 126 ALA MB . 50786 1 613 . 1 . 1 126 126 ALA HB2 H 1 1.27 0.05 . 1 . . . . . 126 ALA MB . 50786 1 614 . 1 . 1 126 126 ALA HB3 H 1 1.27 0.05 . 1 . . . . . 126 ALA MB . 50786 1 615 . 1 . 1 126 126 ALA C C 13 175.72 0.05 . 1 . . . . . 126 ALA C . 50786 1 616 . 1 . 1 126 126 ALA CA C 13 52.51 0.05 . 1 . . . . . 126 ALA CA . 50786 1 617 . 1 . 1 126 126 ALA CB C 13 19.54 0.05 . 1 . . . . . 126 ALA CB . 50786 1 618 . 1 . 1 126 126 ALA N N 15 123.09 0.05 . 1 . . . . . 126 ALA N . 50786 1 619 . 1 . 1 127 127 ASP H H 1 8.17 0.05 . 1 . . . . . 127 ASP H . 50786 1 620 . 1 . 1 127 127 ASP C C 13 177.29 0.05 . 1 . . . . . 127 ASP C . 50786 1 621 . 1 . 1 127 127 ASP CA C 13 53.97 0.05 . 1 . . . . . 127 ASP CA . 50786 1 622 . 1 . 1 127 127 ASP CB C 13 44.34 0.05 . 1 . . . . . 127 ASP CB . 50786 1 623 . 1 . 1 127 127 ASP N N 15 118.35 0.05 . 1 . . . . . 127 ASP N . 50786 1 624 . 1 . 1 128 128 ILE H H 1 7.75 0.05 . 1 . . . . . 128 ILE H . 50786 1 625 . 1 . 1 128 128 ILE HD11 H 1 0.65 0.05 . 1 . . . . . 128 ILE MD . 50786 1 626 . 1 . 1 128 128 ILE HD12 H 1 0.65 0.05 . 1 . . . . . 128 ILE MD . 50786 1 627 . 1 . 1 128 128 ILE HD13 H 1 0.65 0.05 . 1 . . . . . 128 ILE MD . 50786 1 628 . 1 . 1 128 128 ILE C C 13 175.46 0.05 . 1 . . . . . 128 ILE C . 50786 1 629 . 1 . 1 128 128 ILE CA C 13 62.06 0.05 . 1 . . . . . 128 ILE CA . 50786 1 630 . 1 . 1 128 128 ILE CB C 13 38.27 0.05 . 1 . . . . . 128 ILE CB . 50786 1 631 . 1 . 1 128 128 ILE CD1 C 13 13.65 0.05 . 1 . . . . . 128 ILE CD1 . 50786 1 632 . 1 . 1 128 128 ILE N N 15 122.93 0.05 . 1 . . . . . 128 ILE N . 50786 1 633 . 1 . 1 129 129 SER H H 1 8.57 0.05 . 1 . . . . . 129 SER H . 50786 1 634 . 1 . 1 129 129 SER C C 13 175.98 0.05 . 1 . . . . . 129 SER C . 50786 1 635 . 1 . 1 129 129 SER CA C 13 60.77 0.05 . 1 . . . . . 129 SER CA . 50786 1 636 . 1 . 1 129 129 SER CB C 13 63.06 0.05 . 1 . . . . . 129 SER CB . 50786 1 637 . 1 . 1 129 129 SER N N 15 114.20 0.05 . 1 . . . . . 129 SER N . 50786 1 638 . 1 . 1 130 130 MET H H 1 8.01 0.05 . 1 . . . . . 130 MET H . 50786 1 639 . 1 . 1 130 130 MET HE1 H 1 2.21 0.05 . 1 . . . . . 130 MET ME . 50786 1 640 . 1 . 1 130 130 MET HE2 H 1 2.21 0.05 . 1 . . . . . 130 MET ME . 50786 1 641 . 1 . 1 130 130 MET HE3 H 1 2.21 0.05 . 1 . . . . . 130 MET ME . 50786 1 642 . 1 . 1 130 130 MET CA C 13 56.78 0.05 . 1 . . . . . 130 MET CA . 50786 1 643 . 1 . 1 130 130 MET CB C 13 32.83 0.05 . 1 . . . . . 130 MET CB . 50786 1 644 . 1 . 1 130 130 MET CE C 13 17.14 0.05 . 1 . . . . . 130 MET CE . 50786 1 645 . 1 . 1 130 130 MET N N 15 119.91 0.05 . 1 . . . . . 130 MET N . 50786 1 646 . 1 . 1 131 131 ILE HD11 H 1 0.68 0.05 . 1 . . . . . 131 ILE MD . 50786 1 647 . 1 . 1 131 131 ILE HD12 H 1 0.68 0.05 . 1 . . . . . 131 ILE MD . 50786 1 648 . 1 . 1 131 131 ILE HD13 H 1 0.68 0.05 . 1 . . . . . 131 ILE MD . 50786 1 649 . 1 . 1 131 131 ILE CA C 13 65.42 0.05 . 1 . . . . . 131 ILE CA . 50786 1 650 . 1 . 1 131 131 ILE CB C 13 37.68 0.05 . 1 . . . . . 131 ILE CB . 50786 1 651 . 1 . 1 131 131 ILE CD1 C 13 14.83 0.05 . 1 . . . . . 131 ILE CD1 . 50786 1 652 . 1 . 1 132 132 GLY C C 13 177.86 0.05 . 1 . . . . . 132 GLY C . 50786 1 653 . 1 . 1 132 132 GLY CA C 13 47.18 0.05 . 1 . . . . . 132 GLY CA . 50786 1 654 . 1 . 1 133 133 GLN H H 1 8.02 0.05 . 1 . . . . . 133 GLN H . 50786 1 655 . 1 . 1 133 133 GLN C C 13 176.87 0.05 . 1 . . . . . 133 GLN C . 50786 1 656 . 1 . 1 133 133 GLN CA C 13 57.32 0.05 . 1 . . . . . 133 GLN CA . 50786 1 657 . 1 . 1 133 133 GLN CB C 13 28.06 0.05 . 1 . . . . . 133 GLN CB . 50786 1 658 . 1 . 1 133 133 GLN N N 15 120.00 0.05 . 1 . . . . . 133 GLN N . 50786 1 659 . 1 . 1 134 134 PHE H H 1 7.37 0.05 . 1 . . . . . 134 PHE H . 50786 1 660 . 1 . 1 134 134 PHE C C 13 176.30 0.05 . 1 . . . . . 134 PHE C . 50786 1 661 . 1 . 1 134 134 PHE CA C 13 58.04 0.05 . 1 . . . . . 134 PHE CA . 50786 1 662 . 1 . 1 134 134 PHE CB C 13 39.88 0.05 . 1 . . . . . 134 PHE CB . 50786 1 663 . 1 . 1 134 134 PHE N N 15 115.47 0.05 . 1 . . . . . 134 PHE N . 50786 1 664 . 1 . 1 135 135 GLY H H 1 7.67 0.05 . 1 . . . . . 135 GLY H . 50786 1 665 . 1 . 1 135 135 GLY C C 13 174.91 0.05 . 1 . . . . . 135 GLY C . 50786 1 666 . 1 . 1 135 135 GLY CA C 13 46.93 0.05 . 1 . . . . . 135 GLY CA . 50786 1 667 . 1 . 1 135 135 GLY N N 15 105.50 0.05 . 1 . . . . . 135 GLY N . 50786 1 668 . 1 . 1 136 136 VAL H H 1 6.63 0.05 . 1 . . . . . 136 VAL H . 50786 1 669 . 1 . 1 136 136 VAL HG21 H 1 0.57 0.05 . 1 . . . . . 136 VAL MG2 . 50786 1 670 . 1 . 1 136 136 VAL HG22 H 1 0.57 0.05 . 1 . . . . . 136 VAL MG2 . 50786 1 671 . 1 . 1 136 136 VAL HG23 H 1 0.57 0.05 . 1 . . . . . 136 VAL MG2 . 50786 1 672 . 1 . 1 136 136 VAL C C 13 175.72 0.05 . 1 . . . . . 136 VAL C . 50786 1 673 . 1 . 1 136 136 VAL CA C 13 60.11 0.05 . 1 . . . . . 136 VAL CA . 50786 1 674 . 1 . 1 136 136 VAL CB C 13 31.27 0.05 . 1 . . . . . 136 VAL CB . 50786 1 675 . 1 . 1 136 136 VAL CG2 C 13 18.00 0.05 . 1 . . . . . 136 VAL CG2 . 50786 1 676 . 1 . 1 136 136 VAL N N 15 108.12 0.05 . 1 . . . . . 136 VAL N . 50786 1 677 . 1 . 1 137 137 GLY H H 1 8.77 0.05 . 1 . . . . . 137 GLY H . 50786 1 678 . 1 . 1 137 137 GLY C C 13 175.81 0.05 . 1 . . . . . 137 GLY C . 50786 1 679 . 1 . 1 137 137 GLY CA C 13 48.04 0.05 . 1 . . . . . 137 GLY CA . 50786 1 680 . 1 . 1 137 137 GLY N N 15 107.56 0.05 . 1 . . . . . 137 GLY N . 50786 1 681 . 1 . 1 138 138 PHE H H 1 9.14 0.05 . 1 . . . . . 138 PHE H . 50786 1 682 . 1 . 1 138 138 PHE C C 13 175.20 0.05 . 1 . . . . . 138 PHE C . 50786 1 683 . 1 . 1 138 138 PHE CA C 13 61.24 0.05 . 1 . . . . . 138 PHE CA . 50786 1 684 . 1 . 1 138 138 PHE CB C 13 39.89 0.05 . 1 . . . . . 138 PHE CB . 50786 1 685 . 1 . 1 138 138 PHE N N 15 123.51 0.05 . 1 . . . . . 138 PHE N . 50786 1 686 . 1 . 1 139 139 TYR H H 1 7.17 0.05 . 1 . . . . . 139 TYR H . 50786 1 687 . 1 . 1 139 139 TYR C C 13 177.25 0.05 . 1 . . . . . 139 TYR C . 50786 1 688 . 1 . 1 139 139 TYR CA C 13 61.62 0.05 . 1 . . . . . 139 TYR CA . 50786 1 689 . 1 . 1 139 139 TYR CB C 13 37.11 0.05 . 1 . . . . . 139 TYR CB . 50786 1 690 . 1 . 1 139 139 TYR N N 15 110.08 0.05 . 1 . . . . . 139 TYR N . 50786 1 691 . 1 . 1 140 140 SER H H 1 8.02 0.05 . 1 . . . . . 140 SER H . 50786 1 692 . 1 . 1 140 140 SER CA C 13 62.10 0.05 . 1 . . . . . 140 SER CA . 50786 1 693 . 1 . 1 140 140 SER N N 15 114.11 0.05 . 1 . . . . . 140 SER N . 50786 1 694 . 1 . 1 141 141 ALA H H 1 8.03 0.05 . 1 . . . . . 141 ALA H . 50786 1 695 . 1 . 1 141 141 ALA HB1 H 1 0.82 0.05 . 1 . . . . . 141 ALA MB . 50786 1 696 . 1 . 1 141 141 ALA HB2 H 1 0.82 0.05 . 1 . . . . . 141 ALA MB . 50786 1 697 . 1 . 1 141 141 ALA HB3 H 1 0.82 0.05 . 1 . . . . . 141 ALA MB . 50786 1 698 . 1 . 1 141 141 ALA C C 13 178.98 0.05 . 1 . . . . . 141 ALA C . 50786 1 699 . 1 . 1 141 141 ALA CA C 13 55.35 0.05 . 1 . . . . . 141 ALA CA . 50786 1 700 . 1 . 1 141 141 ALA CB C 13 18.80 0.05 . 1 . . . . . 141 ALA CB . 50786 1 701 . 1 . 1 141 141 ALA N N 15 125.13 0.05 . 1 . . . . . 141 ALA N . 50786 1 702 . 1 . 1 142 142 TYR H H 1 7.42 0.05 . 1 . . . . . 142 TYR H . 50786 1 703 . 1 . 1 142 142 TYR C C 13 175.67 0.05 . 1 . . . . . 142 TYR C . 50786 1 704 . 1 . 1 142 142 TYR CA C 13 61.02 0.05 . 1 . . . . . 142 TYR CA . 50786 1 705 . 1 . 1 142 142 TYR CB C 13 36.40 0.05 . 1 . . . . . 142 TYR CB . 50786 1 706 . 1 . 1 142 142 TYR N N 15 111.84 0.05 . 1 . . . . . 142 TYR N . 50786 1 707 . 1 . 1 143 143 LEU H H 1 8.08 0.05 . 1 . . . . . 143 LEU H . 50786 1 708 . 1 . 1 143 143 LEU HD21 H 1 1.06 0.05 . 1 . . . . . 143 LEU MD2 . 50786 1 709 . 1 . 1 143 143 LEU HD22 H 1 1.06 0.05 . 1 . . . . . 143 LEU MD2 . 50786 1 710 . 1 . 1 143 143 LEU HD23 H 1 1.06 0.05 . 1 . . . . . 143 LEU MD2 . 50786 1 711 . 1 . 1 143 143 LEU C C 13 178.96 0.05 . 1 . . . . . 143 LEU C . 50786 1 712 . 1 . 1 143 143 LEU CA C 13 57.69 0.05 . 1 . . . . . 143 LEU CA . 50786 1 713 . 1 . 1 143 143 LEU CB C 13 43.83 0.05 . 1 . . . . . 143 LEU CB . 50786 1 714 . 1 . 1 143 143 LEU CD2 C 13 24.56 0.05 . 1 . . . . . 143 LEU CD2 . 50786 1 715 . 1 . 1 143 143 LEU N N 15 118.40 0.05 . 1 . . . . . 143 LEU N . 50786 1 716 . 1 . 1 144 144 VAL H H 1 6.62 0.05 . 1 . . . . . 144 VAL H . 50786 1 717 . 1 . 1 144 144 VAL HG21 H 1 -0.58 0.05 . 1 . . . . . 144 VAL MG2 . 50786 1 718 . 1 . 1 144 144 VAL HG22 H 1 -0.58 0.05 . 1 . . . . . 144 VAL MG2 . 50786 1 719 . 1 . 1 144 144 VAL HG23 H 1 -0.58 0.05 . 1 . . . . . 144 VAL MG2 . 50786 1 720 . 1 . 1 144 144 VAL C C 13 173.58 0.05 . 1 . . . . . 144 VAL C . 50786 1 721 . 1 . 1 144 144 VAL CA C 13 60.49 0.05 . 1 . . . . . 144 VAL CA . 50786 1 722 . 1 . 1 144 144 VAL CB C 13 33.69 0.05 . 1 . . . . . 144 VAL CB . 50786 1 723 . 1 . 1 144 144 VAL CG2 C 13 15.86 0.05 . 1 . . . . . 144 VAL CG2 . 50786 1 724 . 1 . 1 144 144 VAL N N 15 102.45 0.05 . 1 . . . . . 144 VAL N . 50786 1 725 . 1 . 1 145 145 ALA H H 1 7.72 0.05 . 1 . . . . . 145 ALA H . 50786 1 726 . 1 . 1 145 145 ALA HB1 H 1 0.92 0.05 . 1 . . . . . 145 ALA MB . 50786 1 727 . 1 . 1 145 145 ALA HB2 H 1 0.92 0.05 . 1 . . . . . 145 ALA MB . 50786 1 728 . 1 . 1 145 145 ALA HB3 H 1 0.92 0.05 . 1 . . . . . 145 ALA MB . 50786 1 729 . 1 . 1 145 145 ALA C C 13 175.81 0.05 . 1 . . . . . 145 ALA C . 50786 1 730 . 1 . 1 145 145 ALA CA C 13 50.93 0.05 . 1 . . . . . 145 ALA CA . 50786 1 731 . 1 . 1 145 145 ALA CB C 13 21.92 0.05 . 1 . . . . . 145 ALA CB . 50786 1 732 . 1 . 1 145 145 ALA N N 15 124.12 0.05 . 1 . . . . . 145 ALA N . 50786 1 733 . 1 . 1 146 146 GLU H H 1 8.54 0.05 . 1 . . . . . 146 GLU H . 50786 1 734 . 1 . 1 146 146 GLU C C 13 175.52 0.05 . 1 . . . . . 146 GLU C . 50786 1 735 . 1 . 1 146 146 GLU CA C 13 56.12 0.05 . 1 . . . . . 146 GLU CA . 50786 1 736 . 1 . 1 146 146 GLU CB C 13 30.84 0.05 . 1 . . . . . 146 GLU CB . 50786 1 737 . 1 . 1 146 146 GLU N N 15 117.76 0.05 . 1 . . . . . 146 GLU N . 50786 1 738 . 1 . 1 147 147 LYS H H 1 7.44 0.05 . 1 . . . . . 147 LYS H . 50786 1 739 . 1 . 1 147 147 LYS C C 13 173.36 0.05 . 1 . . . . . 147 LYS C . 50786 1 740 . 1 . 1 147 147 LYS CA C 13 56.02 0.05 . 1 . . . . . 147 LYS CA . 50786 1 741 . 1 . 1 147 147 LYS CB C 13 35.50 0.05 . 1 . . . . . 147 LYS CB . 50786 1 742 . 1 . 1 147 147 LYS N N 15 116.76 0.05 . 1 . . . . . 147 LYS N . 50786 1 743 . 1 . 1 148 148 VAL H H 1 8.08 0.05 . 1 . . . . . 148 VAL H . 50786 1 744 . 1 . 1 148 148 VAL HG21 H 1 0.17 0.05 . 1 . . . . . 148 VAL MG2 . 50786 1 745 . 1 . 1 148 148 VAL HG22 H 1 0.17 0.05 . 1 . . . . . 148 VAL MG2 . 50786 1 746 . 1 . 1 148 148 VAL HG23 H 1 0.17 0.05 . 1 . . . . . 148 VAL MG2 . 50786 1 747 . 1 . 1 148 148 VAL C C 13 174.18 0.05 . 1 . . . . . 148 VAL C . 50786 1 748 . 1 . 1 148 148 VAL CA C 13 61.91 0.05 . 1 . . . . . 148 VAL CA . 50786 1 749 . 1 . 1 148 148 VAL CB C 13 35.59 0.05 . 1 . . . . . 148 VAL CB . 50786 1 750 . 1 . 1 148 148 VAL CG2 C 13 23.04 0.05 . 1 . . . . . 148 VAL CG2 . 50786 1 751 . 1 . 1 148 148 VAL N N 15 125.74 0.05 . 1 . . . . . 148 VAL N . 50786 1 752 . 1 . 1 149 149 THR H H 1 9.10 0.05 . 1 . . . . . 149 THR H . 50786 1 753 . 1 . 1 149 149 THR HG21 H 1 1.49 0.05 . 1 . . . . . 149 THR MG . 50786 1 754 . 1 . 1 149 149 THR HG22 H 1 1.49 0.05 . 1 . . . . . 149 THR MG . 50786 1 755 . 1 . 1 149 149 THR HG23 H 1 1.49 0.05 . 1 . . . . . 149 THR MG . 50786 1 756 . 1 . 1 149 149 THR C C 13 173.46 0.05 . 1 . . . . . 149 THR C . 50786 1 757 . 1 . 1 149 149 THR CA C 13 61.85 0.05 . 1 . . . . . 149 THR CA . 50786 1 758 . 1 . 1 149 149 THR CB C 13 71.12 0.05 . 1 . . . . . 149 THR CB . 50786 1 759 . 1 . 1 149 149 THR CG2 C 13 21.57 0.05 . 1 . . . . . 149 THR CG2 . 50786 1 760 . 1 . 1 149 149 THR N N 15 124.69 0.05 . 1 . . . . . 149 THR N . 50786 1 761 . 1 . 1 150 150 VAL H H 1 10.52 0.05 . 1 . . . . . 150 VAL H . 50786 1 762 . 1 . 1 150 150 VAL HG21 H 1 0.84 0.05 . 1 . . . . . 150 VAL MG2 . 50786 1 763 . 1 . 1 150 150 VAL HG22 H 1 0.84 0.05 . 1 . . . . . 150 VAL MG2 . 50786 1 764 . 1 . 1 150 150 VAL HG23 H 1 0.84 0.05 . 1 . . . . . 150 VAL MG2 . 50786 1 765 . 1 . 1 150 150 VAL C C 13 174.58 0.05 . 1 . . . . . 150 VAL C . 50786 1 766 . 1 . 1 150 150 VAL CA C 13 61.42 0.05 . 1 . . . . . 150 VAL CA . 50786 1 767 . 1 . 1 150 150 VAL CB C 13 34.67 0.05 . 1 . . . . . 150 VAL CB . 50786 1 768 . 1 . 1 150 150 VAL CG2 C 13 22.49 0.05 . 1 . . . . . 150 VAL CG2 . 50786 1 769 . 1 . 1 150 150 VAL N N 15 128.19 0.05 . 1 . . . . . 150 VAL N . 50786 1 770 . 1 . 1 151 151 ILE H H 1 9.65 0.05 . 1 . . . . . 151 ILE H . 50786 1 771 . 1 . 1 151 151 ILE HD11 H 1 0.91 0.05 . 1 . . . . . 151 ILE MD . 50786 1 772 . 1 . 1 151 151 ILE HD12 H 1 0.91 0.05 . 1 . . . . . 151 ILE MD . 50786 1 773 . 1 . 1 151 151 ILE HD13 H 1 0.91 0.05 . 1 . . . . . 151 ILE MD . 50786 1 774 . 1 . 1 151 151 ILE C C 13 175.62 0.05 . 1 . . . . . 151 ILE C . 50786 1 775 . 1 . 1 151 151 ILE CA C 13 59.22 0.05 . 1 . . . . . 151 ILE CA . 50786 1 776 . 1 . 1 151 151 ILE CB C 13 39.48 0.05 . 1 . . . . . 151 ILE CB . 50786 1 777 . 1 . 1 151 151 ILE CD1 C 13 13.18 0.05 . 1 . . . . . 151 ILE CD1 . 50786 1 778 . 1 . 1 151 151 ILE N N 15 128.45 0.05 . 1 . . . . . 151 ILE N . 50786 1 779 . 1 . 1 152 152 THR H H 1 9.20 0.05 . 1 . . . . . 152 THR H . 50786 1 780 . 1 . 1 152 152 THR HG21 H 1 1.43 0.05 . 1 . . . . . 152 THR MG . 50786 1 781 . 1 . 1 152 152 THR HG22 H 1 1.43 0.05 . 1 . . . . . 152 THR MG . 50786 1 782 . 1 . 1 152 152 THR HG23 H 1 1.43 0.05 . 1 . . . . . 152 THR MG . 50786 1 783 . 1 . 1 152 152 THR C C 13 169.69 0.05 . 1 . . . . . 152 THR C . 50786 1 784 . 1 . 1 152 152 THR CA C 13 59.96 0.05 . 1 . . . . . 152 THR CA . 50786 1 785 . 1 . 1 152 152 THR CB C 13 71.58 0.05 . 1 . . . . . 152 THR CB . 50786 1 786 . 1 . 1 152 152 THR CG2 C 13 19.74 0.05 . 1 . . . . . 152 THR CG2 . 50786 1 787 . 1 . 1 152 152 THR N N 15 121.87 0.05 . 1 . . . . . 152 THR N . 50786 1 788 . 1 . 1 153 153 LYS H H 1 8.94 0.05 . 1 . . . . . 153 LYS H . 50786 1 789 . 1 . 1 153 153 LYS C C 13 172.42 0.05 . 1 . . . . . 153 LYS C . 50786 1 790 . 1 . 1 153 153 LYS CA C 13 55.06 0.05 . 1 . . . . . 153 LYS CA . 50786 1 791 . 1 . 1 153 153 LYS CB C 13 37.04 0.05 . 1 . . . . . 153 LYS CB . 50786 1 792 . 1 . 1 153 153 LYS N N 15 127.24 0.05 . 1 . . . . . 153 LYS N . 50786 1 793 . 1 . 1 154 154 HIS H H 1 9.73 0.05 . 1 . . . . . 154 HIS H . 50786 1 794 . 1 . 1 154 154 HIS C C 13 176.68 0.05 . 1 . . . . . 154 HIS C . 50786 1 795 . 1 . 1 154 154 HIS CA C 13 54.36 0.05 . 1 . . . . . 154 HIS CA . 50786 1 796 . 1 . 1 154 154 HIS N N 15 131.65 0.05 . 1 . . . . . 154 HIS N . 50786 1 797 . 1 . 1 157 157 ASP C C 13 178.77 0.05 . 1 . . . . . 157 ASP C . 50786 1 798 . 1 . 1 157 157 ASP CA C 13 52.75 0.05 . 1 . . . . . 157 ASP CA . 50786 1 799 . 1 . 1 157 157 ASP CB C 13 46.01 0.05 . 1 . . . . . 157 ASP CB . 50786 1 800 . 1 . 1 158 158 GLU H H 1 9.38 0.05 . 1 . . . . . 158 GLU H . 50786 1 801 . 1 . 1 158 158 GLU C C 13 173.12 0.05 . 1 . . . . . 158 GLU C . 50786 1 802 . 1 . 1 158 158 GLU CA C 13 54.59 0.05 . 1 . . . . . 158 GLU CA . 50786 1 803 . 1 . 1 158 158 GLU CB C 13 30.81 0.05 . 1 . . . . . 158 GLU CB . 50786 1 804 . 1 . 1 158 158 GLU N N 15 117.63 0.05 . 1 . . . . . 158 GLU N . 50786 1 805 . 1 . 1 159 159 GLN H H 1 8.16 0.05 . 1 . . . . . 159 GLN H . 50786 1 806 . 1 . 1 159 159 GLN C C 13 176.30 0.05 . 1 . . . . . 159 GLN C . 50786 1 807 . 1 . 1 159 159 GLN CA C 13 56.25 0.05 . 1 . . . . . 159 GLN CA . 50786 1 808 . 1 . 1 159 159 GLN CB C 13 30.83 0.05 . 1 . . . . . 159 GLN CB . 50786 1 809 . 1 . 1 159 159 GLN N N 15 119.34 0.05 . 1 . . . . . 159 GLN N . 50786 1 810 . 1 . 1 160 160 TYR H H 1 8.71 0.05 . 1 . . . . . 160 TYR H . 50786 1 811 . 1 . 1 160 160 TYR C C 13 173.88 0.05 . 1 . . . . . 160 TYR C . 50786 1 812 . 1 . 1 160 160 TYR CA C 13 58.59 0.05 . 1 . . . . . 160 TYR CA . 50786 1 813 . 1 . 1 160 160 TYR CB C 13 44.64 0.05 . 1 . . . . . 160 TYR CB . 50786 1 814 . 1 . 1 160 160 TYR N N 15 124.23 0.05 . 1 . . . . . 160 TYR N . 50786 1 815 . 1 . 1 161 161 ALA H H 1 9.34 0.05 . 1 . . . . . 161 ALA H . 50786 1 816 . 1 . 1 161 161 ALA HB1 H 1 1.32 0.05 . 1 . . . . . 161 ALA MB . 50786 1 817 . 1 . 1 161 161 ALA HB2 H 1 1.32 0.05 . 1 . . . . . 161 ALA MB . 50786 1 818 . 1 . 1 161 161 ALA HB3 H 1 1.32 0.05 . 1 . . . . . 161 ALA MB . 50786 1 819 . 1 . 1 161 161 ALA C C 13 176.14 0.05 . 1 . . . . . 161 ALA C . 50786 1 820 . 1 . 1 161 161 ALA CA C 13 50.75 0.05 . 1 . . . . . 161 ALA CA . 50786 1 821 . 1 . 1 161 161 ALA CB C 13 22.07 0.05 . 1 . . . . . 161 ALA CB . 50786 1 822 . 1 . 1 161 161 ALA N N 15 119.64 0.05 . 1 . . . . . 161 ALA N . 50786 1 823 . 1 . 1 162 162 TRP H H 1 10.39 0.05 . 1 . . . . . 162 TRP H . 50786 1 824 . 1 . 1 162 162 TRP C C 13 176.27 0.05 . 1 . . . . . 162 TRP C . 50786 1 825 . 1 . 1 162 162 TRP CA C 13 55.27 0.05 . 1 . . . . . 162 TRP CA . 50786 1 826 . 1 . 1 162 162 TRP CB C 13 35.60 0.05 . 1 . . . . . 162 TRP CB . 50786 1 827 . 1 . 1 162 162 TRP N N 15 130.02 0.05 . 1 . . . . . 162 TRP N . 50786 1 828 . 1 . 1 163 163 GLU H H 1 8.68 0.05 . 1 . . . . . 163 GLU H . 50786 1 829 . 1 . 1 163 163 GLU C C 13 175.35 0.05 . 1 . . . . . 163 GLU C . 50786 1 830 . 1 . 1 163 163 GLU CA C 13 56.62 0.05 . 1 . . . . . 163 GLU CA . 50786 1 831 . 1 . 1 163 163 GLU CB C 13 34.60 0.05 . 1 . . . . . 163 GLU CB . 50786 1 832 . 1 . 1 163 163 GLU N N 15 126.16 0.05 . 1 . . . . . 163 GLU N . 50786 1 833 . 1 . 1 164 164 SER H H 1 8.27 0.05 . 1 . . . . . 164 SER H . 50786 1 834 . 1 . 1 164 164 SER C C 13 177.20 0.05 . 1 . . . . . 164 SER C . 50786 1 835 . 1 . 1 164 164 SER CA C 13 59.64 0.05 . 1 . . . . . 164 SER CA . 50786 1 836 . 1 . 1 164 164 SER CB C 13 66.38 0.05 . 1 . . . . . 164 SER CB . 50786 1 837 . 1 . 1 164 164 SER N N 15 113.26 0.05 . 1 . . . . . 164 SER N . 50786 1 838 . 1 . 1 165 165 SER C C 13 173.57 0.05 . 1 . . . . . 165 SER C . 50786 1 839 . 1 . 1 165 165 SER CA C 13 58.25 0.05 . 1 . . . . . 165 SER CA . 50786 1 840 . 1 . 1 165 165 SER CB C 13 62.81 0.05 . 1 . . . . . 165 SER CB . 50786 1 841 . 1 . 1 166 166 ALA H H 1 9.13 0.05 . 1 . . . . . 166 ALA H . 50786 1 842 . 1 . 1 166 166 ALA HB1 H 1 1.26 0.05 . 1 . . . . . 166 ALA MB . 50786 1 843 . 1 . 1 166 166 ALA HB2 H 1 1.26 0.05 . 1 . . . . . 166 ALA MB . 50786 1 844 . 1 . 1 166 166 ALA HB3 H 1 1.26 0.05 . 1 . . . . . 166 ALA MB . 50786 1 845 . 1 . 1 166 166 ALA C C 13 176.98 0.05 . 1 . . . . . 166 ALA C . 50786 1 846 . 1 . 1 166 166 ALA CA C 13 53.83 0.05 . 1 . . . . . 166 ALA CA . 50786 1 847 . 1 . 1 166 166 ALA CB C 13 17.01 0.05 . 1 . . . . . 166 ALA CB . 50786 1 848 . 1 . 1 166 166 ALA N N 15 119.55 0.05 . 1 . . . . . 166 ALA N . 50786 1 849 . 1 . 1 167 167 GLY H H 1 8.49 0.05 . 1 . . . . . 167 GLY H . 50786 1 850 . 1 . 1 167 167 GLY C C 13 175.94 0.05 . 1 . . . . . 167 GLY C . 50786 1 851 . 1 . 1 167 167 GLY CA C 13 46.14 0.05 . 1 . . . . . 167 GLY CA . 50786 1 852 . 1 . 1 167 167 GLY N N 15 106.76 0.05 . 1 . . . . . 167 GLY N . 50786 1 853 . 1 . 1 168 168 GLY H H 1 8.52 0.05 . 1 . . . . . 168 GLY H . 50786 1 854 . 1 . 1 168 168 GLY C C 13 174.80 0.05 . 1 . . . . . 168 GLY C . 50786 1 855 . 1 . 1 168 168 GLY CA C 13 46.29 0.05 . 1 . . . . . 168 GLY CA . 50786 1 856 . 1 . 1 168 168 GLY N N 15 106.26 0.05 . 1 . . . . . 168 GLY N . 50786 1 857 . 1 . 1 169 169 SER H H 1 7.81 0.05 . 1 . . . . . 169 SER H . 50786 1 858 . 1 . 1 169 169 SER C C 13 171.97 0.05 . 1 . . . . . 169 SER C . 50786 1 859 . 1 . 1 169 169 SER CA C 13 57.10 0.05 . 1 . . . . . 169 SER CA . 50786 1 860 . 1 . 1 169 169 SER CB C 13 67.30 0.05 . 1 . . . . . 169 SER CB . 50786 1 861 . 1 . 1 169 169 SER N N 15 115.37 0.05 . 1 . . . . . 169 SER N . 50786 1 862 . 1 . 1 170 170 PHE H H 1 8.82 0.05 . 1 . . . . . 170 PHE H . 50786 1 863 . 1 . 1 170 170 PHE C C 13 172.66 0.05 . 1 . . . . . 170 PHE C . 50786 1 864 . 1 . 1 170 170 PHE CA C 13 55.18 0.05 . 1 . . . . . 170 PHE CA . 50786 1 865 . 1 . 1 170 170 PHE CB C 13 41.89 0.05 . 1 . . . . . 170 PHE CB . 50786 1 866 . 1 . 1 170 170 PHE N N 15 119.35 0.05 . 1 . . . . . 170 PHE N . 50786 1 867 . 1 . 1 171 171 THR H H 1 8.81 0.05 . 1 . . . . . 171 THR H . 50786 1 868 . 1 . 1 171 171 THR HG21 H 1 1.11 0.05 . 1 . . . . . 171 THR MG . 50786 1 869 . 1 . 1 171 171 THR HG22 H 1 1.11 0.05 . 1 . . . . . 171 THR MG . 50786 1 870 . 1 . 1 171 171 THR HG23 H 1 1.11 0.05 . 1 . . . . . 171 THR MG . 50786 1 871 . 1 . 1 171 171 THR C C 13 174.98 0.05 . 1 . . . . . 171 THR C . 50786 1 872 . 1 . 1 171 171 THR CA C 13 58.96 0.05 . 1 . . . . . 171 THR CA . 50786 1 873 . 1 . 1 171 171 THR CB C 13 72.95 0.05 . 1 . . . . . 171 THR CB . 50786 1 874 . 1 . 1 171 171 THR CG2 C 13 21.60 0.05 . 1 . . . . . 171 THR CG2 . 50786 1 875 . 1 . 1 171 171 THR N N 15 109.21 0.05 . 1 . . . . . 171 THR N . 50786 1 876 . 1 . 1 172 172 VAL H H 1 8.91 0.05 . 1 . . . . . 172 VAL H . 50786 1 877 . 1 . 1 172 172 VAL HG21 H 1 1.25 0.05 . 1 . . . . . 172 VAL MG2 . 50786 1 878 . 1 . 1 172 172 VAL HG22 H 1 1.25 0.05 . 1 . . . . . 172 VAL MG2 . 50786 1 879 . 1 . 1 172 172 VAL HG23 H 1 1.25 0.05 . 1 . . . . . 172 VAL MG2 . 50786 1 880 . 1 . 1 172 172 VAL C C 13 174.90 0.05 . 1 . . . . . 172 VAL C . 50786 1 881 . 1 . 1 172 172 VAL CA C 13 61.95 0.05 . 1 . . . . . 172 VAL CA . 50786 1 882 . 1 . 1 172 172 VAL CB C 13 36.62 0.05 . 1 . . . . . 172 VAL CB . 50786 1 883 . 1 . 1 172 172 VAL CG2 C 13 23.44 0.05 . 1 . . . . . 172 VAL CG2 . 50786 1 884 . 1 . 1 172 172 VAL N N 15 117.82 0.05 . 1 . . . . . 172 VAL N . 50786 1 885 . 1 . 1 173 173 ARG H H 1 9.13 0.05 . 1 . . . . . 173 ARG H . 50786 1 886 . 1 . 1 173 173 ARG C C 13 175.70 0.05 . 1 . . . . . 173 ARG C . 50786 1 887 . 1 . 1 173 173 ARG CA C 13 54.17 0.05 . 1 . . . . . 173 ARG CA . 50786 1 888 . 1 . 1 173 173 ARG CB C 13 34.56 0.05 . 1 . . . . . 173 ARG CB . 50786 1 889 . 1 . 1 173 173 ARG N N 15 124.02 0.05 . 1 . . . . . 173 ARG N . 50786 1 890 . 1 . 1 174 174 THR H H 1 9.12 0.05 . 1 . . . . . 174 THR H . 50786 1 891 . 1 . 1 174 174 THR HG21 H 1 1.20 0.05 . 1 . . . . . 174 THR MG . 50786 1 892 . 1 . 1 174 174 THR HG22 H 1 1.20 0.05 . 1 . . . . . 174 THR MG . 50786 1 893 . 1 . 1 174 174 THR HG23 H 1 1.20 0.05 . 1 . . . . . 174 THR MG . 50786 1 894 . 1 . 1 174 174 THR C C 13 174.63 0.05 . 1 . . . . . 174 THR C . 50786 1 895 . 1 . 1 174 174 THR CA C 13 64.03 0.05 . 1 . . . . . 174 THR CA . 50786 1 896 . 1 . 1 174 174 THR CB C 13 69.13 0.05 . 1 . . . . . 174 THR CB . 50786 1 897 . 1 . 1 174 174 THR CG2 C 13 22.58 0.05 . 1 . . . . . 174 THR CG2 . 50786 1 898 . 1 . 1 174 174 THR N N 15 118.30 0.05 . 1 . . . . . 174 THR N . 50786 1 899 . 1 . 1 175 175 ASP H H 1 8.67 0.05 . 1 . . . . . 175 ASP H . 50786 1 900 . 1 . 1 175 175 ASP C C 13 176.48 0.05 . 1 . . . . . 175 ASP C . 50786 1 901 . 1 . 1 175 175 ASP CA C 13 54.78 0.05 . 1 . . . . . 175 ASP CA . 50786 1 902 . 1 . 1 175 175 ASP CB C 13 43.97 0.05 . 1 . . . . . 175 ASP CB . 50786 1 903 . 1 . 1 175 175 ASP N N 15 126.32 0.05 . 1 . . . . . 175 ASP N . 50786 1 904 . 1 . 1 176 176 THR H H 1 8.06 0.05 . 1 . . . . . 176 THR H . 50786 1 905 . 1 . 1 176 176 THR HG21 H 1 1.17 0.05 . 1 . . . . . 176 THR MG . 50786 1 906 . 1 . 1 176 176 THR HG22 H 1 1.17 0.05 . 1 . . . . . 176 THR MG . 50786 1 907 . 1 . 1 176 176 THR HG23 H 1 1.17 0.05 . 1 . . . . . 176 THR MG . 50786 1 908 . 1 . 1 176 176 THR C C 13 175.30 0.05 . 1 . . . . . 176 THR C . 50786 1 909 . 1 . 1 176 176 THR CA C 13 60.96 0.05 . 1 . . . . . 176 THR CA . 50786 1 910 . 1 . 1 176 176 THR CB C 13 69.05 0.05 . 1 . . . . . 176 THR CB . 50786 1 911 . 1 . 1 176 176 THR CG2 C 13 21.52 0.05 . 1 . . . . . 176 THR CG2 . 50786 1 912 . 1 . 1 176 176 THR N N 15 115.67 0.05 . 1 . . . . . 176 THR N . 50786 1 913 . 1 . 1 177 177 GLY H H 1 7.82 0.05 . 1 . . . . . 177 GLY H . 50786 1 914 . 1 . 1 177 177 GLY C C 13 173.19 0.05 . 1 . . . . . 177 GLY C . 50786 1 915 . 1 . 1 177 177 GLY CA C 13 44.49 0.05 . 1 . . . . . 177 GLY CA . 50786 1 916 . 1 . 1 177 177 GLY N N 15 109.97 0.05 . 1 . . . . . 177 GLY N . 50786 1 917 . 1 . 1 178 178 GLU H H 1 8.29 0.05 . 1 . . . . . 178 GLU H . 50786 1 918 . 1 . 1 178 178 GLU N N 15 120.81 0.05 . 1 . . . . . 178 GLU N . 50786 1 919 . 1 . 1 179 179 PRO C C 13 178.17 0.05 . 1 . . . . . 179 PRO C . 50786 1 920 . 1 . 1 179 179 PRO CA C 13 63.49 0.05 . 1 . . . . . 179 PRO CA . 50786 1 921 . 1 . 1 179 179 PRO CB C 13 32.51 0.05 . 1 . . . . . 179 PRO CB . 50786 1 922 . 1 . 1 180 180 MET H H 1 9.47 0.05 . 1 . . . . . 180 MET H . 50786 1 923 . 1 . 1 180 180 MET HE1 H 1 1.82 0.05 . 1 . . . . . 180 MET ME . 50786 1 924 . 1 . 1 180 180 MET HE2 H 1 1.82 0.05 . 1 . . . . . 180 MET ME . 50786 1 925 . 1 . 1 180 180 MET HE3 H 1 1.82 0.05 . 1 . . . . . 180 MET ME . 50786 1 926 . 1 . 1 180 180 MET C C 13 176.96 0.05 . 1 . . . . . 180 MET C . 50786 1 927 . 1 . 1 180 180 MET CA C 13 55.17 0.05 . 1 . . . . . 180 MET CA . 50786 1 928 . 1 . 1 180 180 MET CB C 13 35.11 0.05 . 1 . . . . . 180 MET CB . 50786 1 929 . 1 . 1 180 180 MET CE C 13 16.73 0.05 . 1 . . . . . 180 MET CE . 50786 1 930 . 1 . 1 180 180 MET N N 15 123.81 0.05 . 1 . . . . . 180 MET N . 50786 1 931 . 1 . 1 181 181 GLY H H 1 8.63 0.05 . 1 . . . . . 181 GLY H . 50786 1 932 . 1 . 1 181 181 GLY C C 13 174.15 0.05 . 1 . . . . . 181 GLY C . 50786 1 933 . 1 . 1 181 181 GLY CA C 13 47.40 0.05 . 1 . . . . . 181 GLY CA . 50786 1 934 . 1 . 1 181 181 GLY N N 15 111.29 0.05 . 1 . . . . . 181 GLY N . 50786 1 935 . 1 . 1 182 182 ARG H H 1 7.48 0.05 . 1 . . . . . 182 ARG H . 50786 1 936 . 1 . 1 182 182 ARG C C 13 174.85 0.05 . 1 . . . . . 182 ARG C . 50786 1 937 . 1 . 1 182 182 ARG CA C 13 57.28 0.05 . 1 . . . . . 182 ARG CA . 50786 1 938 . 1 . 1 182 182 ARG CB C 13 30.72 0.05 . 1 . . . . . 182 ARG CB . 50786 1 939 . 1 . 1 182 182 ARG N N 15 119.96 0.05 . 1 . . . . . 182 ARG N . 50786 1 940 . 1 . 1 183 183 GLY H H 1 9.20 0.05 . 1 . . . . . 183 GLY H . 50786 1 941 . 1 . 1 183 183 GLY C C 13 172.65 0.05 . 1 . . . . . 183 GLY C . 50786 1 942 . 1 . 1 183 183 GLY CA C 13 44.38 0.05 . 1 . . . . . 183 GLY CA . 50786 1 943 . 1 . 1 183 183 GLY N N 15 115.32 0.05 . 1 . . . . . 183 GLY N . 50786 1 944 . 1 . 1 184 184 THR H H 1 7.76 0.05 . 1 . . . . . 184 THR H . 50786 1 945 . 1 . 1 184 184 THR HG21 H 1 1.04 0.05 . 1 . . . . . 184 THR MG . 50786 1 946 . 1 . 1 184 184 THR HG22 H 1 1.04 0.05 . 1 . . . . . 184 THR MG . 50786 1 947 . 1 . 1 184 184 THR HG23 H 1 1.04 0.05 . 1 . . . . . 184 THR MG . 50786 1 948 . 1 . 1 184 184 THR C C 13 171.24 0.05 . 1 . . . . . 184 THR C . 50786 1 949 . 1 . 1 184 184 THR CA C 13 62.41 0.05 . 1 . . . . . 184 THR CA . 50786 1 950 . 1 . 1 184 184 THR CB C 13 72.83 0.05 . 1 . . . . . 184 THR CB . 50786 1 951 . 1 . 1 184 184 THR CG2 C 13 23.13 0.05 . 1 . . . . . 184 THR CG2 . 50786 1 952 . 1 . 1 184 184 THR N N 15 115.80 0.05 . 1 . . . . . 184 THR N . 50786 1 953 . 1 . 1 185 185 LYS H H 1 10.06 0.05 . 1 . . . . . 185 LYS H . 50786 1 954 . 1 . 1 185 185 LYS C C 13 173.72 0.05 . 1 . . . . . 185 LYS C . 50786 1 955 . 1 . 1 185 185 LYS CA C 13 54.56 0.05 . 1 . . . . . 185 LYS CA . 50786 1 956 . 1 . 1 185 185 LYS CB C 13 35.74 0.05 . 1 . . . . . 185 LYS CB . 50786 1 957 . 1 . 1 185 185 LYS N N 15 128.13 0.05 . 1 . . . . . 185 LYS N . 50786 1 958 . 1 . 1 186 186 VAL H H 1 9.21 0.05 . 1 . . . . . 186 VAL H . 50786 1 959 . 1 . 1 186 186 VAL HG21 H 1 1.09 0.05 . 1 . . . . . 186 VAL MG2 . 50786 1 960 . 1 . 1 186 186 VAL HG22 H 1 1.09 0.05 . 1 . . . . . 186 VAL MG2 . 50786 1 961 . 1 . 1 186 186 VAL HG23 H 1 1.09 0.05 . 1 . . . . . 186 VAL MG2 . 50786 1 962 . 1 . 1 186 186 VAL C C 13 174.62 0.05 . 1 . . . . . 186 VAL C . 50786 1 963 . 1 . 1 186 186 VAL CA C 13 62.29 0.05 . 1 . . . . . 186 VAL CA . 50786 1 964 . 1 . 1 186 186 VAL CB C 13 33.34 0.05 . 1 . . . . . 186 VAL CB . 50786 1 965 . 1 . 1 186 186 VAL CG2 C 13 21.28 0.05 . 1 . . . . . 186 VAL CG2 . 50786 1 966 . 1 . 1 186 186 VAL N N 15 126.32 0.05 . 1 . . . . . 186 VAL N . 50786 1 967 . 1 . 1 187 187 ILE H H 1 10.01 0.05 . 1 . . . . . 187 ILE H . 50786 1 968 . 1 . 1 187 187 ILE HD11 H 1 0.88 0.05 . 1 . . . . . 187 ILE MD . 50786 1 969 . 1 . 1 187 187 ILE HD12 H 1 0.88 0.05 . 1 . . . . . 187 ILE MD . 50786 1 970 . 1 . 1 187 187 ILE HD13 H 1 0.88 0.05 . 1 . . . . . 187 ILE MD . 50786 1 971 . 1 . 1 187 187 ILE C C 13 175.23 0.05 . 1 . . . . . 187 ILE C . 50786 1 972 . 1 . 1 187 187 ILE CA C 13 61.81 0.05 . 1 . . . . . 187 ILE CA . 50786 1 973 . 1 . 1 187 187 ILE CB C 13 39.71 0.05 . 1 . . . . . 187 ILE CB . 50786 1 974 . 1 . 1 187 187 ILE CD1 C 13 14.62 0.05 . 1 . . . . . 187 ILE CD1 . 50786 1 975 . 1 . 1 187 187 ILE N N 15 127.62 0.05 . 1 . . . . . 187 ILE N . 50786 1 976 . 1 . 1 188 188 LEU H H 1 8.91 0.05 . 1 . . . . . 188 LEU H . 50786 1 977 . 1 . 1 188 188 LEU HD21 H 1 0.57 0.05 . 1 . . . . . 188 LEU MD2 . 50786 1 978 . 1 . 1 188 188 LEU HD22 H 1 0.57 0.05 . 1 . . . . . 188 LEU MD2 . 50786 1 979 . 1 . 1 188 188 LEU HD23 H 1 0.57 0.05 . 1 . . . . . 188 LEU MD2 . 50786 1 980 . 1 . 1 188 188 LEU C C 13 175.59 0.05 . 1 . . . . . 188 LEU C . 50786 1 981 . 1 . 1 188 188 LEU CA C 13 54.03 0.05 . 1 . . . . . 188 LEU CA . 50786 1 982 . 1 . 1 188 188 LEU CB C 13 42.34 0.05 . 1 . . . . . 188 LEU CB . 50786 1 983 . 1 . 1 188 188 LEU CD2 C 13 27.06 0.05 . 1 . . . . . 188 LEU CD2 . 50786 1 984 . 1 . 1 188 188 LEU N N 15 125.64 0.05 . 1 . . . . . 188 LEU N . 50786 1 985 . 1 . 1 189 189 HIS H H 1 8.36 0.05 . 1 . . . . . 189 HIS H . 50786 1 986 . 1 . 1 189 189 HIS C C 13 175.55 0.05 . 1 . . . . . 189 HIS C . 50786 1 987 . 1 . 1 189 189 HIS CA C 13 55.46 0.05 . 1 . . . . . 189 HIS CA . 50786 1 988 . 1 . 1 189 189 HIS CB C 13 28.01 0.05 . 1 . . . . . 189 HIS CB . 50786 1 989 . 1 . 1 189 189 HIS N N 15 124.51 0.05 . 1 . . . . . 189 HIS N . 50786 1 990 . 1 . 1 190 190 LEU H H 1 8.07 0.05 . 1 . . . . . 190 LEU H . 50786 1 991 . 1 . 1 190 190 LEU HD21 H 1 0.60 0.05 . 1 . . . . . 190 LEU MD2 . 50786 1 992 . 1 . 1 190 190 LEU HD22 H 1 0.60 0.05 . 1 . . . . . 190 LEU MD2 . 50786 1 993 . 1 . 1 190 190 LEU HD23 H 1 0.60 0.05 . 1 . . . . . 190 LEU MD2 . 50786 1 994 . 1 . 1 190 190 LEU C C 13 178.08 0.05 . 1 . . . . . 190 LEU C . 50786 1 995 . 1 . 1 190 190 LEU CA C 13 56.06 0.05 . 1 . . . . . 190 LEU CA . 50786 1 996 . 1 . 1 190 190 LEU CB C 13 42.11 0.05 . 1 . . . . . 190 LEU CB . 50786 1 997 . 1 . 1 190 190 LEU CD2 C 13 23.15 0.05 . 1 . . . . . 190 LEU CD2 . 50786 1 998 . 1 . 1 190 190 LEU N N 15 123.47 0.05 . 1 . . . . . 190 LEU N . 50786 1 999 . 1 . 1 191 191 LYS H H 1 8.48 0.05 . 1 . . . . . 191 LYS H . 50786 1 1000 . 1 . 1 191 191 LYS C C 13 178.53 0.05 . 1 . . . . . 191 LYS C . 50786 1 1001 . 1 . 1 191 191 LYS CA C 13 57.19 0.05 . 1 . . . . . 191 LYS CA . 50786 1 1002 . 1 . 1 191 191 LYS CB C 13 34.30 0.05 . 1 . . . . . 191 LYS CB . 50786 1 1003 . 1 . 1 191 191 LYS N N 15 120.29 0.05 . 1 . . . . . 191 LYS N . 50786 1 1004 . 1 . 1 192 192 GLU H H 1 9.03 0.05 . 1 . . . . . 192 GLU H . 50786 1 1005 . 1 . 1 192 192 GLU C C 13 176.54 0.05 . 1 . . . . . 192 GLU C . 50786 1 1006 . 1 . 1 192 192 GLU CA C 13 59.91 0.05 . 1 . . . . . 192 GLU CA . 50786 1 1007 . 1 . 1 192 192 GLU CB C 13 29.89 0.05 . 1 . . . . . 192 GLU CB . 50786 1 1008 . 1 . 1 192 192 GLU N N 15 120.45 0.05 . 1 . . . . . 192 GLU N . 50786 1 1009 . 1 . 1 193 193 ASP H H 1 8.40 0.05 . 1 . . . . . 193 ASP H . 50786 1 1010 . 1 . 1 193 193 ASP C C 13 177.61 0.05 . 1 . . . . . 193 ASP C . 50786 1 1011 . 1 . 1 193 193 ASP CA C 13 53.49 0.05 . 1 . . . . . 193 ASP CA . 50786 1 1012 . 1 . 1 193 193 ASP CB C 13 39.66 0.05 . 1 . . . . . 193 ASP CB . 50786 1 1013 . 1 . 1 193 193 ASP N N 15 113.06 0.05 . 1 . . . . . 193 ASP N . 50786 1 1014 . 1 . 1 194 194 GLN H H 1 7.89 0.05 . 1 . . . . . 194 GLN H . 50786 1 1015 . 1 . 1 194 194 GLN C C 13 176.23 0.05 . 1 . . . . . 194 GLN C . 50786 1 1016 . 1 . 1 194 194 GLN CA C 13 54.18 0.05 . 1 . . . . . 194 GLN CA . 50786 1 1017 . 1 . 1 194 194 GLN CB C 13 27.92 0.05 . 1 . . . . . 194 GLN CB . 50786 1 1018 . 1 . 1 194 194 GLN N N 15 118.41 0.05 . 1 . . . . . 194 GLN N . 50786 1 1019 . 1 . 1 195 195 THR H H 1 7.44 0.05 . 1 . . . . . 195 THR H . 50786 1 1020 . 1 . 1 195 195 THR HG21 H 1 1.33 0.05 . 1 . . . . . 195 THR MG . 50786 1 1021 . 1 . 1 195 195 THR HG22 H 1 1.33 0.05 . 1 . . . . . 195 THR MG . 50786 1 1022 . 1 . 1 195 195 THR HG23 H 1 1.33 0.05 . 1 . . . . . 195 THR MG . 50786 1 1023 . 1 . 1 195 195 THR C C 13 177.55 0.05 . 1 . . . . . 195 THR C . 50786 1 1024 . 1 . 1 195 195 THR CA C 13 64.61 0.05 . 1 . . . . . 195 THR CA . 50786 1 1025 . 1 . 1 195 195 THR CB C 13 68.63 0.05 . 1 . . . . . 195 THR CB . 50786 1 1026 . 1 . 1 195 195 THR CG2 C 13 22.23 0.05 . 1 . . . . . 195 THR CG2 . 50786 1 1027 . 1 . 1 195 195 THR N N 15 106.36 0.05 . 1 . . . . . 195 THR N . 50786 1 1028 . 1 . 1 196 196 GLU H H 1 8.89 0.05 . 1 . . . . . 196 GLU H . 50786 1 1029 . 1 . 1 196 196 GLU C C 13 176.79 0.05 . 1 . . . . . 196 GLU C . 50786 1 1030 . 1 . 1 196 196 GLU CA C 13 58.90 0.05 . 1 . . . . . 196 GLU CA . 50786 1 1031 . 1 . 1 196 196 GLU CB C 13 28.81 0.05 . 1 . . . . . 196 GLU CB . 50786 1 1032 . 1 . 1 196 196 GLU N N 15 123.81 0.05 . 1 . . . . . 196 GLU N . 50786 1 1033 . 1 . 1 197 197 TYR H H 1 6.67 0.05 . 1 . . . . . 197 TYR H . 50786 1 1034 . 1 . 1 197 197 TYR C C 13 171.82 0.05 . 1 . . . . . 197 TYR C . 50786 1 1035 . 1 . 1 197 197 TYR CA C 13 59.91 0.05 . 1 . . . . . 197 TYR CA . 50786 1 1036 . 1 . 1 197 197 TYR CB C 13 37.16 0.05 . 1 . . . . . 197 TYR CB . 50786 1 1037 . 1 . 1 197 197 TYR N N 15 114.48 0.05 . 1 . . . . . 197 TYR N . 50786 1 1038 . 1 . 1 198 198 LEU H H 1 7.32 0.05 . 1 . . . . . 198 LEU H . 50786 1 1039 . 1 . 1 198 198 LEU HD21 H 1 0.70 0.05 . 1 . . . . . 198 LEU MD2 . 50786 1 1040 . 1 . 1 198 198 LEU HD22 H 1 0.70 0.05 . 1 . . . . . 198 LEU MD2 . 50786 1 1041 . 1 . 1 198 198 LEU HD23 H 1 0.70 0.05 . 1 . . . . . 198 LEU MD2 . 50786 1 1042 . 1 . 1 198 198 LEU C C 13 176.71 0.05 . 1 . . . . . 198 LEU C . 50786 1 1043 . 1 . 1 198 198 LEU CA C 13 53.43 0.05 . 1 . . . . . 198 LEU CA . 50786 1 1044 . 1 . 1 198 198 LEU CB C 13 42.51 0.05 . 1 . . . . . 198 LEU CB . 50786 1 1045 . 1 . 1 198 198 LEU CD2 C 13 25.14 0.05 . 1 . . . . . 198 LEU CD2 . 50786 1 1046 . 1 . 1 198 198 LEU N N 15 110.87 0.05 . 1 . . . . . 198 LEU N . 50786 1 1047 . 1 . 1 199 199 GLU H H 1 7.33 0.05 . 1 . . . . . 199 GLU H . 50786 1 1048 . 1 . 1 199 199 GLU C C 13 177.28 0.05 . 1 . . . . . 199 GLU C . 50786 1 1049 . 1 . 1 199 199 GLU CA C 13 55.18 0.05 . 1 . . . . . 199 GLU CA . 50786 1 1050 . 1 . 1 199 199 GLU CB C 13 30.05 0.05 . 1 . . . . . 199 GLU CB . 50786 1 1051 . 1 . 1 199 199 GLU N N 15 116.42 0.05 . 1 . . . . . 199 GLU N . 50786 1 1052 . 1 . 1 200 200 GLU H H 1 9.15 0.05 . 1 . . . . . 200 GLU H . 50786 1 1053 . 1 . 1 200 200 GLU C C 13 177.74 0.05 . 1 . . . . . 200 GLU C . 50786 1 1054 . 1 . 1 200 200 GLU CA C 13 60.65 0.05 . 1 . . . . . 200 GLU CA . 50786 1 1055 . 1 . 1 200 200 GLU CB C 13 29.84 0.05 . 1 . . . . . 200 GLU CB . 50786 1 1056 . 1 . 1 200 200 GLU N N 15 126.40 0.05 . 1 . . . . . 200 GLU N . 50786 1 1057 . 1 . 1 201 201 ARG H H 1 8.92 0.05 . 1 . . . . . 201 ARG H . 50786 1 1058 . 1 . 1 201 201 ARG C C 13 178.59 0.05 . 1 . . . . . 201 ARG C . 50786 1 1059 . 1 . 1 201 201 ARG CA C 13 59.74 0.05 . 1 . . . . . 201 ARG CA . 50786 1 1060 . 1 . 1 201 201 ARG CB C 13 29.91 0.05 . 1 . . . . . 201 ARG CB . 50786 1 1061 . 1 . 1 201 201 ARG N N 15 116.06 0.05 . 1 . . . . . 201 ARG N . 50786 1 1062 . 1 . 1 202 202 ARG H H 1 6.78 0.05 . 1 . . . . . 202 ARG H . 50786 1 1063 . 1 . 1 202 202 ARG C C 13 178.33 0.05 . 1 . . . . . 202 ARG C . 50786 1 1064 . 1 . 1 202 202 ARG CA C 13 57.33 0.05 . 1 . . . . . 202 ARG CA . 50786 1 1065 . 1 . 1 202 202 ARG CB C 13 30.73 0.05 . 1 . . . . . 202 ARG CB . 50786 1 1066 . 1 . 1 202 202 ARG N N 15 119.24 0.05 . 1 . . . . . 202 ARG N . 50786 1 1067 . 1 . 1 203 203 ILE H H 1 8.13 0.05 . 1 . . . . . 203 ILE H . 50786 1 1068 . 1 . 1 203 203 ILE HD11 H 1 0.86 0.05 . 1 . . . . . 203 ILE MD . 50786 1 1069 . 1 . 1 203 203 ILE HD12 H 1 0.86 0.05 . 1 . . . . . 203 ILE MD . 50786 1 1070 . 1 . 1 203 203 ILE HD13 H 1 0.86 0.05 . 1 . . . . . 203 ILE MD . 50786 1 1071 . 1 . 1 203 203 ILE C C 13 178.24 0.05 . 1 . . . . . 203 ILE C . 50786 1 1072 . 1 . 1 203 203 ILE CA C 13 66.02 0.05 . 1 . . . . . 203 ILE CA . 50786 1 1073 . 1 . 1 203 203 ILE CB C 13 38.30 0.05 . 1 . . . . . 203 ILE CB . 50786 1 1074 . 1 . 1 203 203 ILE CD1 C 13 14.79 0.05 . 1 . . . . . 203 ILE CD1 . 50786 1 1075 . 1 . 1 203 203 ILE N N 15 117.49 0.05 . 1 . . . . . 203 ILE N . 50786 1 1076 . 1 . 1 204 204 LYS H H 1 8.45 0.05 . 1 . . . . . 204 LYS H . 50786 1 1077 . 1 . 1 204 204 LYS C C 13 179.62 0.05 . 1 . . . . . 204 LYS C . 50786 1 1078 . 1 . 1 204 204 LYS CA C 13 60.72 0.05 . 1 . . . . . 204 LYS CA . 50786 1 1079 . 1 . 1 204 204 LYS CB C 13 32.57 0.05 . 1 . . . . . 204 LYS CB . 50786 1 1080 . 1 . 1 204 204 LYS N N 15 116.57 0.05 . 1 . . . . . 204 LYS N . 50786 1 1081 . 1 . 1 205 205 GLU H H 1 7.73 0.05 . 1 . . . . . 205 GLU H . 50786 1 1082 . 1 . 1 205 205 GLU C C 13 179.19 0.05 . 1 . . . . . 205 GLU C . 50786 1 1083 . 1 . 1 205 205 GLU CA C 13 59.32 0.05 . 1 . . . . . 205 GLU CA . 50786 1 1084 . 1 . 1 205 205 GLU CB C 13 29.50 0.05 . 1 . . . . . 205 GLU CB . 50786 1 1085 . 1 . 1 205 205 GLU N N 15 118.42 0.05 . 1 . . . . . 205 GLU N . 50786 1 1086 . 1 . 1 206 206 ILE H H 1 7.90 0.05 . 1 . . . . . 206 ILE H . 50786 1 1087 . 1 . 1 206 206 ILE HD11 H 1 1.07 0.05 . 1 . . . . . 206 ILE MD . 50786 1 1088 . 1 . 1 206 206 ILE HD12 H 1 1.07 0.05 . 1 . . . . . 206 ILE MD . 50786 1 1089 . 1 . 1 206 206 ILE HD13 H 1 1.07 0.05 . 1 . . . . . 206 ILE MD . 50786 1 1090 . 1 . 1 206 206 ILE C C 13 178.77 0.05 . 1 . . . . . 206 ILE C . 50786 1 1091 . 1 . 1 206 206 ILE CA C 13 65.84 0.05 . 1 . . . . . 206 ILE CA . 50786 1 1092 . 1 . 1 206 206 ILE CB C 13 38.74 0.05 . 1 . . . . . 206 ILE CB . 50786 1 1093 . 1 . 1 206 206 ILE CD1 C 13 15.86 0.05 . 1 . . . . . 206 ILE CD1 . 50786 1 1094 . 1 . 1 206 206 ILE N N 15 120.80 0.05 . 1 . . . . . 206 ILE N . 50786 1 1095 . 1 . 1 207 207 VAL H H 1 8.41 0.05 . 1 . . . . . 207 VAL H . 50786 1 1096 . 1 . 1 207 207 VAL HG21 H 1 0.90 0.05 . 1 . . . . . 207 VAL MG2 . 50786 1 1097 . 1 . 1 207 207 VAL HG22 H 1 0.90 0.05 . 1 . . . . . 207 VAL MG2 . 50786 1 1098 . 1 . 1 207 207 VAL HG23 H 1 0.90 0.05 . 1 . . . . . 207 VAL MG2 . 50786 1 1099 . 1 . 1 207 207 VAL C C 13 178.64 0.05 . 1 . . . . . 207 VAL C . 50786 1 1100 . 1 . 1 207 207 VAL CA C 13 67.19 0.05 . 1 . . . . . 207 VAL CA . 50786 1 1101 . 1 . 1 207 207 VAL CB C 13 32.05 0.05 . 1 . . . . . 207 VAL CB . 50786 1 1102 . 1 . 1 207 207 VAL CG2 C 13 23.59 0.05 . 1 . . . . . 207 VAL CG2 . 50786 1 1103 . 1 . 1 207 207 VAL N N 15 120.38 0.05 . 1 . . . . . 207 VAL N . 50786 1 1104 . 1 . 1 208 208 LYS H H 1 7.94 0.05 . 1 . . . . . 208 LYS H . 50786 1 1105 . 1 . 1 208 208 LYS C C 13 178.19 0.05 . 1 . . . . . 208 LYS C . 50786 1 1106 . 1 . 1 208 208 LYS CA C 13 59.07 0.05 . 1 . . . . . 208 LYS CA . 50786 1 1107 . 1 . 1 208 208 LYS CB C 13 32.42 0.05 . 1 . . . . . 208 LYS CB . 50786 1 1108 . 1 . 1 208 208 LYS N N 15 118.65 0.05 . 1 . . . . . 208 LYS N . 50786 1 1109 . 1 . 1 209 209 LYS H H 1 7.52 0.05 . 1 . . . . . 209 LYS H . 50786 1 1110 . 1 . 1 209 209 LYS C C 13 178.60 0.05 . 1 . . . . . 209 LYS C . 50786 1 1111 . 1 . 1 209 209 LYS CA C 13 58.95 0.05 . 1 . . . . . 209 LYS CA . 50786 1 1112 . 1 . 1 209 209 LYS CB C 13 33.63 0.05 . 1 . . . . . 209 LYS CB . 50786 1 1113 . 1 . 1 209 209 LYS N N 15 116.22 0.05 . 1 . . . . . 209 LYS N . 50786 1 1114 . 1 . 1 210 210 HIS H H 1 7.83 0.05 . 1 . . . . . 210 HIS H . 50786 1 1115 . 1 . 1 210 210 HIS C C 13 177.69 0.05 . 1 . . . . . 210 HIS C . 50786 1 1116 . 1 . 1 210 210 HIS CA C 13 57.44 0.05 . 1 . . . . . 210 HIS CA . 50786 1 1117 . 1 . 1 210 210 HIS CB C 13 33.64 0.05 . 1 . . . . . 210 HIS CB . 50786 1 1118 . 1 . 1 210 210 HIS N N 15 113.17 0.05 . 1 . . . . . 210 HIS N . 50786 1 1119 . 1 . 1 211 211 SER H H 1 8.19 0.05 . 1 . . . . . 211 SER H . 50786 1 1120 . 1 . 1 211 211 SER C C 13 175.75 0.05 . 1 . . . . . 211 SER C . 50786 1 1121 . 1 . 1 211 211 SER CA C 13 59.17 0.05 . 1 . . . . . 211 SER CA . 50786 1 1122 . 1 . 1 211 211 SER CB C 13 63.57 0.05 . 1 . . . . . 211 SER CB . 50786 1 1123 . 1 . 1 211 211 SER N N 15 115.23 0.05 . 1 . . . . . 211 SER N . 50786 1 1124 . 1 . 1 212 212 GLN C C 13 176.67 0.05 . 1 . . . . . 212 GLN C . 50786 1 1125 . 1 . 1 212 212 GLN CA C 13 58.09 0.05 . 1 . . . . . 212 GLN CA . 50786 1 1126 . 1 . 1 212 212 GLN CB C 13 28.42 0.05 . 1 . . . . . 212 GLN CB . 50786 1 1127 . 1 . 1 213 213 PHE H H 1 8.12 0.05 . 1 . . . . . 213 PHE H . 50786 1 1128 . 1 . 1 213 213 PHE C C 13 175.75 0.05 . 1 . . . . . 213 PHE C . 50786 1 1129 . 1 . 1 213 213 PHE CA C 13 57.05 0.05 . 1 . . . . . 213 PHE CA . 50786 1 1130 . 1 . 1 213 213 PHE CB C 13 38.04 0.05 . 1 . . . . . 213 PHE CB . 50786 1 1131 . 1 . 1 213 213 PHE N N 15 115.36 0.05 . 1 . . . . . 213 PHE N . 50786 1 1132 . 1 . 1 214 214 ILE H H 1 7.16 0.05 . 1 . . . . . 214 ILE H . 50786 1 1133 . 1 . 1 214 214 ILE HD11 H 1 0.85 0.05 . 1 . . . . . 214 ILE MD . 50786 1 1134 . 1 . 1 214 214 ILE HD12 H 1 0.85 0.05 . 1 . . . . . 214 ILE MD . 50786 1 1135 . 1 . 1 214 214 ILE HD13 H 1 0.85 0.05 . 1 . . . . . 214 ILE MD . 50786 1 1136 . 1 . 1 214 214 ILE C C 13 177.30 0.05 . 1 . . . . . 214 ILE C . 50786 1 1137 . 1 . 1 214 214 ILE CA C 13 59.64 0.05 . 1 . . . . . 214 ILE CA . 50786 1 1138 . 1 . 1 214 214 ILE CB C 13 36.89 0.05 . 1 . . . . . 214 ILE CB . 50786 1 1139 . 1 . 1 214 214 ILE CD1 C 13 10.35 0.05 . 1 . . . . . 214 ILE CD1 . 50786 1 1140 . 1 . 1 214 214 ILE N N 15 121.40 0.05 . 1 . . . . . 214 ILE N . 50786 1 1141 . 1 . 1 215 215 GLY H H 1 9.19 0.05 . 1 . . . . . 215 GLY H . 50786 1 1142 . 1 . 1 215 215 GLY C C 13 173.18 0.05 . 1 . . . . . 215 GLY C . 50786 1 1143 . 1 . 1 215 215 GLY CA C 13 46.19 0.05 . 1 . . . . . 215 GLY CA . 50786 1 1144 . 1 . 1 215 215 GLY N N 15 115.11 0.05 . 1 . . . . . 215 GLY N . 50786 1 1145 . 1 . 1 216 216 TYR H H 1 6.77 0.05 . 1 . . . . . 216 TYR H . 50786 1 1146 . 1 . 1 216 216 TYR C C 13 172.28 0.05 . 1 . . . . . 216 TYR C . 50786 1 1147 . 1 . 1 216 216 TYR CA C 13 56.02 0.05 . 1 . . . . . 216 TYR CA . 50786 1 1148 . 1 . 1 216 216 TYR CB C 13 40.76 0.05 . 1 . . . . . 216 TYR CB . 50786 1 1149 . 1 . 1 216 216 TYR N N 15 117.52 0.05 . 1 . . . . . 216 TYR N . 50786 1 1150 . 1 . 1 217 217 PRO CA C 13 63.69 0.05 . 1 . . . . . 217 PRO CA . 50786 1 1151 . 1 . 1 217 217 PRO CB C 13 32.41 0.05 . 1 . . . . . 217 PRO CB . 50786 1 1152 . 1 . 1 218 218 ILE H H 1 8.08 0.05 . 1 . . . . . 218 ILE H . 50786 1 1153 . 1 . 1 218 218 ILE HD11 H 1 0.91 0.05 . 1 . . . . . 218 ILE MD . 50786 1 1154 . 1 . 1 218 218 ILE HD12 H 1 0.91 0.05 . 1 . . . . . 218 ILE MD . 50786 1 1155 . 1 . 1 218 218 ILE HD13 H 1 0.91 0.05 . 1 . . . . . 218 ILE MD . 50786 1 1156 . 1 . 1 218 218 ILE C C 13 176.56 0.05 . 1 . . . . . 218 ILE C . 50786 1 1157 . 1 . 1 218 218 ILE CA C 13 60.44 0.05 . 1 . . . . . 218 ILE CA . 50786 1 1158 . 1 . 1 218 218 ILE CB C 13 40.28 0.05 . 1 . . . . . 218 ILE CB . 50786 1 1159 . 1 . 1 218 218 ILE CD1 C 13 15.00 0.05 . 1 . . . . . 218 ILE CD1 . 50786 1 1160 . 1 . 1 218 218 ILE N N 15 123.24 0.05 . 1 . . . . . 218 ILE N . 50786 1 1161 . 1 . 1 219 219 THR H H 1 8.75 0.05 . 1 . . . . . 219 THR H . 50786 1 1162 . 1 . 1 219 219 THR HG21 H 1 0.97 0.05 . 1 . . . . . 219 THR MG . 50786 1 1163 . 1 . 1 219 219 THR HG22 H 1 0.97 0.05 . 1 . . . . . 219 THR MG . 50786 1 1164 . 1 . 1 219 219 THR HG23 H 1 0.97 0.05 . 1 . . . . . 219 THR MG . 50786 1 1165 . 1 . 1 219 219 THR C C 13 172.70 0.05 . 1 . . . . . 219 THR C . 50786 1 1166 . 1 . 1 219 219 THR CA C 13 61.32 0.05 . 1 . . . . . 219 THR CA . 50786 1 1167 . 1 . 1 219 219 THR CB C 13 70.80 0.05 . 1 . . . . . 219 THR CB . 50786 1 1168 . 1 . 1 219 219 THR CG2 C 13 21.96 0.05 . 1 . . . . . 219 THR CG2 . 50786 1 1169 . 1 . 1 219 219 THR N N 15 122.49 0.05 . 1 . . . . . 219 THR N . 50786 1 1170 . 1 . 1 220 220 LEU H H 1 8.72 0.05 . 1 . . . . . 220 LEU H . 50786 1 1171 . 1 . 1 220 220 LEU HD21 H 1 0.90 0.05 . 1 . . . . . 220 LEU MD2 . 50786 1 1172 . 1 . 1 220 220 LEU HD22 H 1 0.90 0.05 . 1 . . . . . 220 LEU MD2 . 50786 1 1173 . 1 . 1 220 220 LEU HD23 H 1 0.90 0.05 . 1 . . . . . 220 LEU MD2 . 50786 1 1174 . 1 . 1 220 220 LEU C C 13 175.83 0.05 . 1 . . . . . 220 LEU C . 50786 1 1175 . 1 . 1 220 220 LEU CA C 13 54.03 0.05 . 1 . . . . . 220 LEU CA . 50786 1 1176 . 1 . 1 220 220 LEU CB C 13 43.90 0.05 . 1 . . . . . 220 LEU CB . 50786 1 1177 . 1 . 1 220 220 LEU CD2 C 13 27.15 0.05 . 1 . . . . . 220 LEU CD2 . 50786 1 1178 . 1 . 1 220 220 LEU N N 15 127.47 0.05 . 1 . . . . . 220 LEU N . 50786 1 1179 . 1 . 1 221 221 PHE H H 1 8.83 0.05 . 1 . . . . . 221 PHE H . 50786 1 1180 . 1 . 1 221 221 PHE C C 13 174.21 0.05 . 1 . . . . . 221 PHE C . 50786 1 1181 . 1 . 1 221 221 PHE CA C 13 57.55 0.05 . 1 . . . . . 221 PHE CA . 50786 1 1182 . 1 . 1 221 221 PHE CB C 13 39.78 0.05 . 1 . . . . . 221 PHE CB . 50786 1 1183 . 1 . 1 221 221 PHE N N 15 127.00 0.05 . 1 . . . . . 221 PHE N . 50786 1 1184 . 1 . 1 222 222 VAL H H 1 7.93 0.05 . 1 . . . . . 222 VAL H . 50786 1 1185 . 1 . 1 222 222 VAL HG21 H 1 0.88 0.05 . 1 . . . . . 222 VAL MG2 . 50786 1 1186 . 1 . 1 222 222 VAL HG22 H 1 0.88 0.05 . 1 . . . . . 222 VAL MG2 . 50786 1 1187 . 1 . 1 222 222 VAL HG23 H 1 0.88 0.05 . 1 . . . . . 222 VAL MG2 . 50786 1 1188 . 1 . 1 222 222 VAL C C 13 175.84 0.05 . 1 . . . . . 222 VAL C . 50786 1 1189 . 1 . 1 222 222 VAL CA C 13 61.33 0.05 . 1 . . . . . 222 VAL CA . 50786 1 1190 . 1 . 1 222 222 VAL CB C 13 33.94 0.05 . 1 . . . . . 222 VAL CB . 50786 1 1191 . 1 . 1 222 222 VAL CG2 C 13 20.45 0.05 . 1 . . . . . 222 VAL CG2 . 50786 1 1192 . 1 . 1 222 222 VAL N N 15 121.41 0.05 . 1 . . . . . 222 VAL N . 50786 1 1193 . 1 . 1 223 223 GLU H H 1 8.55 0.05 . 1 . . . . . 223 GLU H . 50786 1 1194 . 1 . 1 223 223 GLU C C 13 176.69 0.05 . 1 . . . . . 223 GLU C . 50786 1 1195 . 1 . 1 223 223 GLU CA C 13 56.99 0.05 . 1 . . . . . 223 GLU CA . 50786 1 1196 . 1 . 1 223 223 GLU CB C 13 30.66 0.05 . 1 . . . . . 223 GLU CB . 50786 1 1197 . 1 . 1 223 223 GLU N N 15 125.49 0.05 . 1 . . . . . 223 GLU N . 50786 1 1198 . 1 . 1 224 224 LYS H H 1 8.46 0.05 . 1 . . . . . 224 LYS H . 50786 1 1199 . 1 . 1 224 224 LYS C C 13 176.69 0.05 . 1 . . . . . 224 LYS C . 50786 1 1200 . 1 . 1 224 224 LYS CA C 13 56.19 0.05 . 1 . . . . . 224 LYS CA . 50786 1 1201 . 1 . 1 224 224 LYS CB C 13 33.41 0.05 . 1 . . . . . 224 LYS CB . 50786 1 1202 . 1 . 1 224 224 LYS N N 15 123.45 0.05 . 1 . . . . . 224 LYS N . 50786 1 1203 . 1 . 1 229 229 GLU C C 13 176.71 0.05 . 1 . . . . . 229 GLU C . 50786 1 1204 . 1 . 1 229 229 GLU CA C 13 56.86 0.05 . 1 . . . . . 229 GLU CA . 50786 1 1205 . 1 . 1 229 229 GLU CB C 13 30.36 0.05 . 1 . . . . . 229 GLU CB . 50786 1 1206 . 1 . 1 230 230 VAL HG21 H 1 0.95 0.05 . 1 . . . . . 230 VAL MG2 . 50786 1 1207 . 1 . 1 230 230 VAL HG22 H 1 0.95 0.05 . 1 . . . . . 230 VAL MG2 . 50786 1 1208 . 1 . 1 230 230 VAL HG23 H 1 0.95 0.05 . 1 . . . . . 230 VAL MG2 . 50786 1 1209 . 1 . 1 230 230 VAL C C 13 176.07 0.05 . 1 . . . . . 230 VAL C . 50786 1 1210 . 1 . 1 230 230 VAL CA C 13 62.44 0.05 . 1 . . . . . 230 VAL CA . 50786 1 1211 . 1 . 1 230 230 VAL CB C 13 33.31 0.05 . 1 . . . . . 230 VAL CB . 50786 1 1212 . 1 . 1 230 230 VAL CG2 C 13 20.65 0.05 . 1 . . . . . 230 VAL CG2 . 50786 1 1213 . 1 . 1 231 231 SER CA C 13 58.11 0.05 . 1 . . . . . 231 SER CA . 50786 1 1214 . 1 . 1 231 231 SER CB C 13 64.15 0.05 . 1 . . . . . 231 SER CB . 50786 1 1215 . 1 . 1 232 232 ASP C C 13 176.37 0.05 . 1 . . . . . 232 ASP C . 50786 1 1216 . 1 . 1 232 232 ASP CA C 13 54.83 0.05 . 1 . . . . . 232 ASP CA . 50786 1 1217 . 1 . 1 232 232 ASP CB C 13 41.31 0.05 . 1 . . . . . 232 ASP CB . 50786 1 1218 . 1 . 1 235 235 ALA HB1 H 1 1.42 0.05 . 1 . . . . . 235 ALA MB . 50786 1 1219 . 1 . 1 235 235 ALA HB2 H 1 1.42 0.05 . 1 . . . . . 235 ALA MB . 50786 1 1220 . 1 . 1 235 235 ALA HB3 H 1 1.42 0.05 . 1 . . . . . 235 ALA MB . 50786 1 1221 . 1 . 1 235 235 ALA CB C 13 19.65 0.05 . 1 . . . . . 235 ALA CB . 50786 1 stop_ save_