data_50998 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50998 _Entry.Title ; Backbone assignment of human prolactin at pH 7.0 and 5.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-06-30 _Entry.Accession_date 2021-06-30 _Entry.Last_release_date 2021-06-30 _Entry.Original_release_date 2021-06-30 _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 Janus Vang . . . . 50998 2 Yulia Pustovalova . . . 0000-0003-3024-1764 50998 3 Jeffrey Hoch . C. . . 50998 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Connecticut Health' . 50998 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50998 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 548 50998 '15N chemical shifts' 301 50998 '1H chemical shifts' 301 50998 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 . . 2022-06-01 2021-06-30 update BMRB 'update entry citation' 50998 1 . . 2022-03-03 2021-06-30 original author 'original release' 50998 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50998 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35192840 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Architecture of the two metal binding sites in prolactin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 121 _Citation.Journal_issue 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 1312 _Citation.Page_last 1321 _Citation.Year 2022 _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 Janus Vang . . . . 50998 1 2 Yulia Pustovalova . . . . 50998 1 3 Dmitry Korzhnev . M. . . 50998 1 4 Oksana Gorbatyuk . . . . 50998 1 5 Camille Keeler . . . . 50998 1 6 Michael Hodsdon . E. . . 50998 1 7 Jeffrey Hoch . C. . . 50998 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'paramagnetic relaxation enhancement, NMR' 50998 1 'prolactin, metal induced aggregation, metal ion - protein interaction, protein aggregation, protein secretion' 50998 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50998 _Assembly.ID 1 _Assembly.Name 'human prolactin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'human prolactin' 1 $entity_1 . . yes native no no . . . 50998 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50998 _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 ; LPICPGGAARCQVTLRDLFD RAVVLSHYIHNLSSEMFSEF DKRYTHGRGFITKAINSCHT SSLATPEDKEQAQQMNQKDF LSLIVSILRSWNEPLYHLVT EVRGMQEAPEAILSKAVEIE EQTKRLLEGMELIVSQVHPE TKENEIYPVWSGLPSLQMAD EESRLSAYYNLLHCLRRDSH KIDNYLKLLKCRIIHNNNC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '29-227 of Uniprot entry P01236' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 199 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 UNP P01236 . PRL . . . . . . . . . . . . . . 50998 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Prolactin (PRL) is a pituitary-secreted protein hormone that stimulates lactation in mammals.' 50998 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 . LEU . 50998 1 2 . PRO . 50998 1 3 . ILE . 50998 1 4 . CYS . 50998 1 5 . PRO . 50998 1 6 . GLY . 50998 1 7 . GLY . 50998 1 8 . ALA . 50998 1 9 . ALA . 50998 1 10 . ARG . 50998 1 11 . CYS . 50998 1 12 . GLN . 50998 1 13 . VAL . 50998 1 14 . THR . 50998 1 15 . LEU . 50998 1 16 . ARG . 50998 1 17 . ASP . 50998 1 18 . LEU . 50998 1 19 . PHE . 50998 1 20 . ASP . 50998 1 21 . ARG . 50998 1 22 . ALA . 50998 1 23 . VAL . 50998 1 24 . VAL . 50998 1 25 . LEU . 50998 1 26 . SER . 50998 1 27 . HIS . 50998 1 28 . TYR . 50998 1 29 . ILE . 50998 1 30 . HIS . 50998 1 31 . ASN . 50998 1 32 . LEU . 50998 1 33 . SER . 50998 1 34 . SER . 50998 1 35 . GLU . 50998 1 36 . MET . 50998 1 37 . PHE . 50998 1 38 . SER . 50998 1 39 . GLU . 50998 1 40 . PHE . 50998 1 41 . ASP . 50998 1 42 . LYS . 50998 1 43 . ARG . 50998 1 44 . TYR . 50998 1 45 . THR . 50998 1 46 . HIS . 50998 1 47 . GLY . 50998 1 48 . ARG . 50998 1 49 . GLY . 50998 1 50 . PHE . 50998 1 51 . ILE . 50998 1 52 . THR . 50998 1 53 . LYS . 50998 1 54 . ALA . 50998 1 55 . ILE . 50998 1 56 . ASN . 50998 1 57 . SER . 50998 1 58 . CYS . 50998 1 59 . HIS . 50998 1 60 . THR . 50998 1 61 . SER . 50998 1 62 . SER . 50998 1 63 . LEU . 50998 1 64 . ALA . 50998 1 65 . THR . 50998 1 66 . PRO . 50998 1 67 . GLU . 50998 1 68 . ASP . 50998 1 69 . LYS . 50998 1 70 . GLU . 50998 1 71 . GLN . 50998 1 72 . ALA . 50998 1 73 . GLN . 50998 1 74 . GLN . 50998 1 75 . MET . 50998 1 76 . ASN . 50998 1 77 . GLN . 50998 1 78 . LYS . 50998 1 79 . ASP . 50998 1 80 . PHE . 50998 1 81 . LEU . 50998 1 82 . SER . 50998 1 83 . LEU . 50998 1 84 . ILE . 50998 1 85 . VAL . 50998 1 86 . SER . 50998 1 87 . ILE . 50998 1 88 . LEU . 50998 1 89 . ARG . 50998 1 90 . SER . 50998 1 91 . TRP . 50998 1 92 . ASN . 50998 1 93 . GLU . 50998 1 94 . PRO . 50998 1 95 . LEU . 50998 1 96 . TYR . 50998 1 97 . HIS . 50998 1 98 . LEU . 50998 1 99 . VAL . 50998 1 100 . THR . 50998 1 101 . GLU . 50998 1 102 . VAL . 50998 1 103 . ARG . 50998 1 104 . GLY . 50998 1 105 . MET . 50998 1 106 . GLN . 50998 1 107 . GLU . 50998 1 108 . ALA . 50998 1 109 . PRO . 50998 1 110 . GLU . 50998 1 111 . ALA . 50998 1 112 . ILE . 50998 1 113 . LEU . 50998 1 114 . SER . 50998 1 115 . LYS . 50998 1 116 . ALA . 50998 1 117 . VAL . 50998 1 118 . GLU . 50998 1 119 . ILE . 50998 1 120 . GLU . 50998 1 121 . GLU . 50998 1 122 . GLN . 50998 1 123 . THR . 50998 1 124 . LYS . 50998 1 125 . ARG . 50998 1 126 . LEU . 50998 1 127 . LEU . 50998 1 128 . GLU . 50998 1 129 . GLY . 50998 1 130 . MET . 50998 1 131 . GLU . 50998 1 132 . LEU . 50998 1 133 . ILE . 50998 1 134 . VAL . 50998 1 135 . SER . 50998 1 136 . GLN . 50998 1 137 . VAL . 50998 1 138 . HIS . 50998 1 139 . PRO . 50998 1 140 . GLU . 50998 1 141 . THR . 50998 1 142 . LYS . 50998 1 143 . GLU . 50998 1 144 . ASN . 50998 1 145 . GLU . 50998 1 146 . ILE . 50998 1 147 . TYR . 50998 1 148 . PRO . 50998 1 149 . VAL . 50998 1 150 . TRP . 50998 1 151 . SER . 50998 1 152 . GLY . 50998 1 153 . LEU . 50998 1 154 . PRO . 50998 1 155 . SER . 50998 1 156 . LEU . 50998 1 157 . GLN . 50998 1 158 . MET . 50998 1 159 . ALA . 50998 1 160 . ASP . 50998 1 161 . GLU . 50998 1 162 . GLU . 50998 1 163 . SER . 50998 1 164 . ARG . 50998 1 165 . LEU . 50998 1 166 . SER . 50998 1 167 . ALA . 50998 1 168 . TYR . 50998 1 169 . TYR . 50998 1 170 . ASN . 50998 1 171 . LEU . 50998 1 172 . LEU . 50998 1 173 . HIS . 50998 1 174 . CYS . 50998 1 175 . LEU . 50998 1 176 . ARG . 50998 1 177 . ARG . 50998 1 178 . ASP . 50998 1 179 . SER . 50998 1 180 . HIS . 50998 1 181 . LYS . 50998 1 182 . ILE . 50998 1 183 . ASP . 50998 1 184 . ASN . 50998 1 185 . TYR . 50998 1 186 . LEU . 50998 1 187 . LYS . 50998 1 188 . LEU . 50998 1 189 . LEU . 50998 1 190 . LYS . 50998 1 191 . CYS . 50998 1 192 . ARG . 50998 1 193 . ILE . 50998 1 194 . ILE . 50998 1 195 . HIS . 50998 1 196 . ASN . 50998 1 197 . ASN . 50998 1 198 . ASN . 50998 1 199 . CYS . 50998 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 . LEU 1 1 50998 1 . PRO 2 2 50998 1 . ILE 3 3 50998 1 . CYS 4 4 50998 1 . PRO 5 5 50998 1 . GLY 6 6 50998 1 . GLY 7 7 50998 1 . ALA 8 8 50998 1 . ALA 9 9 50998 1 . ARG 10 10 50998 1 . CYS 11 11 50998 1 . GLN 12 12 50998 1 . VAL 13 13 50998 1 . THR 14 14 50998 1 . LEU 15 15 50998 1 . ARG 16 16 50998 1 . ASP 17 17 50998 1 . LEU 18 18 50998 1 . PHE 19 19 50998 1 . ASP 20 20 50998 1 . ARG 21 21 50998 1 . ALA 22 22 50998 1 . VAL 23 23 50998 1 . VAL 24 24 50998 1 . LEU 25 25 50998 1 . SER 26 26 50998 1 . HIS 27 27 50998 1 . TYR 28 28 50998 1 . ILE 29 29 50998 1 . HIS 30 30 50998 1 . ASN 31 31 50998 1 . LEU 32 32 50998 1 . SER 33 33 50998 1 . SER 34 34 50998 1 . GLU 35 35 50998 1 . MET 36 36 50998 1 . PHE 37 37 50998 1 . SER 38 38 50998 1 . GLU 39 39 50998 1 . PHE 40 40 50998 1 . ASP 41 41 50998 1 . LYS 42 42 50998 1 . ARG 43 43 50998 1 . TYR 44 44 50998 1 . THR 45 45 50998 1 . HIS 46 46 50998 1 . GLY 47 47 50998 1 . ARG 48 48 50998 1 . GLY 49 49 50998 1 . PHE 50 50 50998 1 . ILE 51 51 50998 1 . THR 52 52 50998 1 . LYS 53 53 50998 1 . ALA 54 54 50998 1 . ILE 55 55 50998 1 . ASN 56 56 50998 1 . SER 57 57 50998 1 . CYS 58 58 50998 1 . HIS 59 59 50998 1 . THR 60 60 50998 1 . SER 61 61 50998 1 . SER 62 62 50998 1 . LEU 63 63 50998 1 . ALA 64 64 50998 1 . THR 65 65 50998 1 . PRO 66 66 50998 1 . GLU 67 67 50998 1 . ASP 68 68 50998 1 . LYS 69 69 50998 1 . GLU 70 70 50998 1 . GLN 71 71 50998 1 . ALA 72 72 50998 1 . GLN 73 73 50998 1 . GLN 74 74 50998 1 . MET 75 75 50998 1 . ASN 76 76 50998 1 . GLN 77 77 50998 1 . LYS 78 78 50998 1 . ASP 79 79 50998 1 . PHE 80 80 50998 1 . LEU 81 81 50998 1 . SER 82 82 50998 1 . LEU 83 83 50998 1 . ILE 84 84 50998 1 . VAL 85 85 50998 1 . SER 86 86 50998 1 . ILE 87 87 50998 1 . LEU 88 88 50998 1 . ARG 89 89 50998 1 . SER 90 90 50998 1 . TRP 91 91 50998 1 . ASN 92 92 50998 1 . GLU 93 93 50998 1 . PRO 94 94 50998 1 . LEU 95 95 50998 1 . TYR 96 96 50998 1 . HIS 97 97 50998 1 . LEU 98 98 50998 1 . VAL 99 99 50998 1 . THR 100 100 50998 1 . GLU 101 101 50998 1 . VAL 102 102 50998 1 . ARG 103 103 50998 1 . GLY 104 104 50998 1 . MET 105 105 50998 1 . GLN 106 106 50998 1 . GLU 107 107 50998 1 . ALA 108 108 50998 1 . PRO 109 109 50998 1 . GLU 110 110 50998 1 . ALA 111 111 50998 1 . ILE 112 112 50998 1 . LEU 113 113 50998 1 . SER 114 114 50998 1 . LYS 115 115 50998 1 . ALA 116 116 50998 1 . VAL 117 117 50998 1 . GLU 118 118 50998 1 . ILE 119 119 50998 1 . GLU 120 120 50998 1 . GLU 121 121 50998 1 . GLN 122 122 50998 1 . THR 123 123 50998 1 . LYS 124 124 50998 1 . ARG 125 125 50998 1 . LEU 126 126 50998 1 . LEU 127 127 50998 1 . GLU 128 128 50998 1 . GLY 129 129 50998 1 . MET 130 130 50998 1 . GLU 131 131 50998 1 . LEU 132 132 50998 1 . ILE 133 133 50998 1 . VAL 134 134 50998 1 . SER 135 135 50998 1 . GLN 136 136 50998 1 . VAL 137 137 50998 1 . HIS 138 138 50998 1 . PRO 139 139 50998 1 . GLU 140 140 50998 1 . THR 141 141 50998 1 . LYS 142 142 50998 1 . GLU 143 143 50998 1 . ASN 144 144 50998 1 . GLU 145 145 50998 1 . ILE 146 146 50998 1 . TYR 147 147 50998 1 . PRO 148 148 50998 1 . VAL 149 149 50998 1 . TRP 150 150 50998 1 . SER 151 151 50998 1 . GLY 152 152 50998 1 . LEU 153 153 50998 1 . PRO 154 154 50998 1 . SER 155 155 50998 1 . LEU 156 156 50998 1 . GLN 157 157 50998 1 . MET 158 158 50998 1 . ALA 159 159 50998 1 . ASP 160 160 50998 1 . GLU 161 161 50998 1 . GLU 162 162 50998 1 . SER 163 163 50998 1 . ARG 164 164 50998 1 . LEU 165 165 50998 1 . SER 166 166 50998 1 . ALA 167 167 50998 1 . TYR 168 168 50998 1 . TYR 169 169 50998 1 . ASN 170 170 50998 1 . LEU 171 171 50998 1 . LEU 172 172 50998 1 . HIS 173 173 50998 1 . CYS 174 174 50998 1 . LEU 175 175 50998 1 . ARG 176 176 50998 1 . ARG 177 177 50998 1 . ASP 178 178 50998 1 . SER 179 179 50998 1 . HIS 180 180 50998 1 . LYS 181 181 50998 1 . ILE 182 182 50998 1 . ASP 183 183 50998 1 . ASN 184 184 50998 1 . TYR 185 185 50998 1 . LEU 186 186 50998 1 . LYS 187 187 50998 1 . LEU 188 188 50998 1 . LEU 189 189 50998 1 . LYS 190 190 50998 1 . CYS 191 191 50998 1 . ARG 192 192 50998 1 . ILE 193 193 50998 1 . ILE 194 194 50998 1 . HIS 195 195 50998 1 . ASN 196 196 50998 1 . ASN 197 197 50998 1 . ASN 198 198 50998 1 . CYS 199 199 50998 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 50998 _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 . . . . . . . . . . . . . 50998 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 50998 _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) . . plasmid . . pT7 . . . 50998 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50998 _Sample.ID 1 _Sample.Name '15n13c-hPRL pH=7' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 prolactin '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.4 . . mM . . . . 50998 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50998 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50998 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50998 _Sample.ID 2 _Sample.Name '15n-hPRL pH=7' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 prolactin '[U-15N; U-2H]' . . 1 $entity_1 . . 0.2 . . mM . . . . 50998 2 2 MOPS 'natural abundance' . . . . . . 20 . . mM . . . . 50998 2 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 50998 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50998 _Sample.ID 3 _Sample.Name '15n-hPRL pH=5.5' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 prolactin '[U-15N; U-2H]' . . 1 $entity_1 . . 0.1 . . mM . . . . 50998 3 2 MES 'natural abundance' . . . . . . 10 . . mM . . . . 50998 3 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 50998 3 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 50998 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'phosphate buffer pH 7.0' _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' 50 . mM 50998 1 pH 7 . pH 50998 1 pressure 1 . atm 50998 1 temperature 308 . K 50998 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 50998 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'MOPS buffer pH 7.0' _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' 50 . mM 50998 2 pH 7 . pH 50998 2 pressure 1 . atm 50998 2 temperature 308 . K 50998 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 50998 _Sample_condition_list.ID 3 _Sample_condition_list.Name 'MES buffer pH=5.5' _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' 30 . mM 50998 3 pH 5.5 . pH 50998 3 pressure 1 . atm 50998 3 temperature 308 . K 50998 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50998 _Software.ID 1 _Software.Type . _Software.Name RNMRTK _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50998 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50998 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50998 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50998 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 50998 _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 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50998 1 2 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50998 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50998 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50998 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50998 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50998 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50998 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 50998 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'indirect referencing' _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 water protons . . . . ppm 4.65 internal indirect . . . . . . 50998 1 H 1 water protons . . . . ppm 4.65 internal direct 1 . . . . . 50998 1 N 15 water protons . . . . ppm 4.65 internal indirect . . . . . . 50998 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 50998 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'backbone pH 7' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 50998 1 2 '3D HNCACO' . . . 50998 1 3 '3D HNCA' . . . 50998 1 4 '3D HNCACB' . . . 50998 1 7 '2D 1H-15N HSQC' . . . 50998 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 2 $software_2 . . 50998 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 1 1 LEU CA C 13 52.900 0.000 . . . . . . . 1 LEU CA . 50998 1 2 . 1 . 1 1 1 LEU CB C 13 41.940 0.000 . . . . . . . 1 LEU CB . 50998 1 3 . 1 . 1 2 2 PRO C C 13 176.330 0.000 . . . . . . . 2 PRO C . 50998 1 4 . 1 . 1 2 2 PRO CA C 13 62.810 0.000 . . . . . . . 2 PRO CA . 50998 1 5 . 1 . 1 2 2 PRO CB C 13 31.880 0.000 . . . . . . . 2 PRO CB . 50998 1 6 . 1 . 1 3 3 ILE H H 1 8.104 0.000 . . . . . . . 3 ILE H . 50998 1 7 . 1 . 1 3 3 ILE C C 13 175.910 0.000 . . . . . . . 3 ILE C . 50998 1 8 . 1 . 1 3 3 ILE CA C 13 61.640 0.000 . . . . . . . 3 ILE CA . 50998 1 9 . 1 . 1 3 3 ILE CB C 13 38.218 0.000 . . . . . . . 3 ILE CB . 50998 1 10 . 1 . 1 3 3 ILE N N 15 119.921 0.000 . . . . . . . 3 ILE N . 50998 1 11 . 1 . 1 4 4 CYS H H 1 8.305 0.000 . . . . . . . 4 CYS H . 50998 1 12 . 1 . 1 4 4 CYS C C 13 172.818 0.000 . . . . . . . 4 CYS C . 50998 1 13 . 1 . 1 4 4 CYS CA C 13 52.880 0.000 . . . . . . . 4 CYS CA . 50998 1 14 . 1 . 1 4 4 CYS CB C 13 40.936 0.000 . . . . . . . 4 CYS CB . 50998 1 15 . 1 . 1 4 4 CYS N N 15 121.102 0.000 . . . . . . . 4 CYS N . 50998 1 16 . 1 . 1 5 5 PRO CA C 13 63.650 0.000 . . . . . . . 5 PRO CA . 50998 1 17 . 1 . 1 5 5 PRO CB C 13 31.930 0.000 . . . . . . . 5 PRO CB . 50998 1 18 . 1 . 1 6 6 GLY CA C 13 45.590 0.000 . . . . . . . 6 GLY CA . 50998 1 19 . 1 . 1 7 7 GLY H H 1 8.146 0.000 . . . . . . . 7 GLY H . 50998 1 20 . 1 . 1 7 7 GLY C C 13 174.157 0.000 . . . . . . . 7 GLY C . 50998 1 21 . 1 . 1 7 7 GLY CA C 13 45.457 0.000 . . . . . . . 7 GLY CA . 50998 1 22 . 1 . 1 7 7 GLY N N 15 108.491 0.000 . . . . . . . 7 GLY N . 50998 1 23 . 1 . 1 8 8 ALA H H 1 7.723 0.000 . . . . . . . 8 ALA H . 50998 1 24 . 1 . 1 8 8 ALA C C 13 177.831 0.000 . . . . . . . 8 ALA C . 50998 1 25 . 1 . 1 8 8 ALA CA C 13 53.040 0.000 . . . . . . . 8 ALA CA . 50998 1 26 . 1 . 1 8 8 ALA CB C 13 19.060 0.000 . . . . . . . 8 ALA CB . 50998 1 27 . 1 . 1 8 8 ALA N N 15 122.774 0.000 . . . . . . . 8 ALA N . 50998 1 28 . 1 . 1 9 9 ALA CA C 13 52.520 0.000 . . . . . . . 9 ALA CA . 50998 1 29 . 1 . 1 9 9 ALA CB C 13 19.180 0.000 . . . . . . . 9 ALA CB . 50998 1 30 . 1 . 1 10 10 ARG H H 1 7.855 0.000 . . . . . . . 10 ARG H . 50998 1 31 . 1 . 1 10 10 ARG C C 13 175.743 0.000 . . . . . . . 10 ARG C . 50998 1 32 . 1 . 1 10 10 ARG CA C 13 55.720 0.000 . . . . . . . 10 ARG CA . 50998 1 33 . 1 . 1 10 10 ARG CB C 13 30.378 0.000 . . . . . . . 10 ARG CB . 50998 1 34 . 1 . 1 10 10 ARG N N 15 115.554 0.000 . . . . . . . 10 ARG N . 50998 1 35 . 1 . 1 11 11 CYS H H 1 8.065 0.000 . . . . . . . 11 CYS H . 50998 1 36 . 1 . 1 11 11 CYS C C 13 173.935 0.000 . . . . . . . 11 CYS C . 50998 1 37 . 1 . 1 11 11 CYS CA C 13 56.027 0.000 . . . . . . . 11 CYS CA . 50998 1 38 . 1 . 1 11 11 CYS CB C 13 40.830 0.000 . . . . . . . 11 CYS CB . 50998 1 39 . 1 . 1 11 11 CYS N N 15 117.540 0.000 . . . . . . . 11 CYS N . 50998 1 40 . 1 . 1 12 12 GLN CA C 13 56.220 0.000 . . . . . . . 12 GLN CA . 50998 1 41 . 1 . 1 12 12 GLN CB C 13 29.310 0.000 . . . . . . . 12 GLN CB . 50998 1 42 . 1 . 1 13 13 VAL H H 1 7.917 0.000 . . . . . . . 13 VAL H . 50998 1 43 . 1 . 1 13 13 VAL C C 13 175.931 0.000 . . . . . . . 13 VAL C . 50998 1 44 . 1 . 1 13 13 VAL CA C 13 61.760 0.000 . . . . . . . 13 VAL CA . 50998 1 45 . 1 . 1 13 13 VAL CB C 13 32.928 0.000 . . . . . . . 13 VAL CB . 50998 1 46 . 1 . 1 13 13 VAL N N 15 120.746 0.000 . . . . . . . 13 VAL N . 50998 1 47 . 1 . 1 14 14 THR H H 1 8.487 0.000 . . . . . . . 14 THR H . 50998 1 48 . 1 . 1 14 14 THR C C 13 175.496 0.000 . . . . . . . 14 THR C . 50998 1 49 . 1 . 1 14 14 THR CA C 13 61.645 0.000 . . . . . . . 14 THR CA . 50998 1 50 . 1 . 1 14 14 THR CB C 13 70.996 0.000 . . . . . . . 14 THR CB . 50998 1 51 . 1 . 1 14 14 THR N N 15 116.036 0.000 . . . . . . . 14 THR N . 50998 1 52 . 1 . 1 15 15 LEU H H 1 8.561 0.000 . . . . . . . 15 LEU H . 50998 1 53 . 1 . 1 15 15 LEU C C 13 178.848 0.000 . . . . . . . 15 LEU C . 50998 1 54 . 1 . 1 15 15 LEU CA C 13 58.299 0.000 . . . . . . . 15 LEU CA . 50998 1 55 . 1 . 1 15 15 LEU CB C 13 41.244 0.000 . . . . . . . 15 LEU CB . 50998 1 56 . 1 . 1 15 15 LEU N N 15 121.917 0.000 . . . . . . . 15 LEU N . 50998 1 57 . 1 . 1 16 16 ARG H H 1 8.283 0.000 . . . . . . . 16 ARG H . 50998 1 58 . 1 . 1 16 16 ARG C C 13 177.700 0.000 . . . . . . . 16 ARG C . 50998 1 59 . 1 . 1 16 16 ARG CA C 13 60.150 0.000 . . . . . . . 16 ARG CA . 50998 1 60 . 1 . 1 16 16 ARG CB C 13 29.324 0.000 . . . . . . . 16 ARG CB . 50998 1 61 . 1 . 1 16 16 ARG N N 15 117.703 0.000 . . . . . . . 16 ARG N . 50998 1 62 . 1 . 1 17 17 ASP H H 1 7.581 0.000 . . . . . . . 17 ASP H . 50998 1 63 . 1 . 1 17 17 ASP C C 13 179.190 0.000 . . . . . . . 17 ASP C . 50998 1 64 . 1 . 1 17 17 ASP CA C 13 57.640 0.000 . . . . . . . 17 ASP CA . 50998 1 65 . 1 . 1 17 17 ASP CB C 13 40.560 0.000 . . . . . . . 17 ASP CB . 50998 1 66 . 1 . 1 17 17 ASP N N 15 118.730 0.000 . . . . . . . 17 ASP N . 50998 1 67 . 1 . 1 18 18 LEU H H 1 8.123 0.000 . . . . . . . 18 LEU H . 50998 1 68 . 1 . 1 18 18 LEU C C 13 180.213 0.000 . . . . . . . 18 LEU C . 50998 1 69 . 1 . 1 18 18 LEU CA C 13 58.180 0.000 . . . . . . . 18 LEU CA . 50998 1 70 . 1 . 1 18 18 LEU CB C 13 41.565 0.000 . . . . . . . 18 LEU CB . 50998 1 71 . 1 . 1 18 18 LEU N N 15 119.151 0.000 . . . . . . . 18 LEU N . 50998 1 72 . 1 . 1 19 19 PHE H H 1 8.538 0.000 . . . . . . . 19 PHE H . 50998 1 73 . 1 . 1 19 19 PHE C C 13 177.920 0.000 . . . . . . . 19 PHE C . 50998 1 74 . 1 . 1 19 19 PHE CA C 13 63.388 0.000 . . . . . . . 19 PHE CA . 50998 1 75 . 1 . 1 19 19 PHE CB C 13 39.043 0.000 . . . . . . . 19 PHE CB . 50998 1 76 . 1 . 1 19 19 PHE N N 15 118.711 0.000 . . . . . . . 19 PHE N . 50998 1 77 . 1 . 1 20 20 ASP H H 1 8.404 0.000 . . . . . . . 20 ASP H . 50998 1 78 . 1 . 1 20 20 ASP C C 13 179.070 0.000 . . . . . . . 20 ASP C . 50998 1 79 . 1 . 1 20 20 ASP CA C 13 57.932 0.000 . . . . . . . 20 ASP CA . 50998 1 80 . 1 . 1 20 20 ASP CB C 13 40.052 0.000 . . . . . . . 20 ASP CB . 50998 1 81 . 1 . 1 20 20 ASP N N 15 119.513 0.000 . . . . . . . 20 ASP N . 50998 1 82 . 1 . 1 21 21 ARG H H 1 7.818 0.000 . . . . . . . 21 ARG H . 50998 1 83 . 1 . 1 21 21 ARG C C 13 178.490 0.000 . . . . . . . 21 ARG C . 50998 1 84 . 1 . 1 21 21 ARG CA C 13 58.640 0.000 . . . . . . . 21 ARG CA . 50998 1 85 . 1 . 1 21 21 ARG CB C 13 29.874 0.000 . . . . . . . 21 ARG CB . 50998 1 86 . 1 . 1 21 21 ARG N N 15 117.677 0.000 . . . . . . . 21 ARG N . 50998 1 87 . 1 . 1 22 22 ALA H H 1 8.143 0.000 . . . . . . . 22 ALA H . 50998 1 88 . 1 . 1 22 22 ALA C C 13 178.753 0.000 . . . . . . . 22 ALA C . 50998 1 89 . 1 . 1 22 22 ALA CA C 13 55.580 0.000 . . . . . . . 22 ALA CA . 50998 1 90 . 1 . 1 22 22 ALA CB C 13 17.770 0.000 . . . . . . . 22 ALA CB . 50998 1 91 . 1 . 1 22 22 ALA N N 15 121.980 0.000 . . . . . . . 22 ALA N . 50998 1 92 . 1 . 1 23 23 VAL H H 1 8.040 0.000 . . . . . . . 23 VAL H . 50998 1 93 . 1 . 1 23 23 VAL CA C 13 64.653 0.000 . . . . . . . 23 VAL CA . 50998 1 94 . 1 . 1 23 23 VAL CB C 13 40.602 0.000 . . . . . . . 23 VAL CB . 50998 1 95 . 1 . 1 23 23 VAL N N 15 113.798 0.000 . . . . . . . 23 VAL N . 50998 1 96 . 1 . 1 24 24 VAL H H 1 7.437 0.000 . . . . . . . 24 VAL H . 50998 1 97 . 1 . 1 24 24 VAL C C 13 179.274 0.000 . . . . . . . 24 VAL C . 50998 1 98 . 1 . 1 24 24 VAL CA C 13 66.530 0.000 . . . . . . . 24 VAL CA . 50998 1 99 . 1 . 1 24 24 VAL CB C 13 31.500 0.000 . . . . . . . 24 VAL CB . 50998 1 100 . 1 . 1 24 24 VAL N N 15 121.755 0.000 . . . . . . . 24 VAL N . 50998 1 101 . 1 . 1 25 25 LEU H H 1 7.858 0.000 . . . . . . . 25 LEU H . 50998 1 102 . 1 . 1 25 25 LEU C C 13 178.990 0.000 . . . . . . . 25 LEU C . 50998 1 103 . 1 . 1 25 25 LEU CA C 13 58.060 0.000 . . . . . . . 25 LEU CA . 50998 1 104 . 1 . 1 25 25 LEU CB C 13 42.527 0.000 . . . . . . . 25 LEU CB . 50998 1 105 . 1 . 1 25 25 LEU N N 15 120.053 0.000 . . . . . . . 25 LEU N . 50998 1 106 . 1 . 1 26 26 SER H H 1 9.283 0.000 . . . . . . . 26 SER H . 50998 1 107 . 1 . 1 26 26 SER C C 13 177.970 0.000 . . . . . . . 26 SER C . 50998 1 108 . 1 . 1 26 26 SER CA C 13 62.790 0.000 . . . . . . . 26 SER CA . 50998 1 109 . 1 . 1 26 26 SER CB C 13 61.920 0.000 . . . . . . . 26 SER CB . 50998 1 110 . 1 . 1 26 26 SER N N 15 115.520 0.000 . . . . . . . 26 SER N . 50998 1 111 . 1 . 1 27 27 HIS H H 1 7.998 0.000 . . . . . . . 27 HIS H . 50998 1 112 . 1 . 1 27 27 HIS C C 13 177.258 0.000 . . . . . . . 27 HIS C . 50998 1 113 . 1 . 1 27 27 HIS CA C 13 60.130 0.000 . . . . . . . 27 HIS CA . 50998 1 114 . 1 . 1 27 27 HIS CB C 13 29.690 0.000 . . . . . . . 27 HIS CB . 50998 1 115 . 1 . 1 27 27 HIS N N 15 124.886 0.000 . . . . . . . 27 HIS N . 50998 1 116 . 1 . 1 28 28 TYR H H 1 7.944 0.000 . . . . . . . 28 TYR H . 50998 1 117 . 1 . 1 28 28 TYR C C 13 177.980 0.000 . . . . . . . 28 TYR C . 50998 1 118 . 1 . 1 28 28 TYR CA C 13 60.310 0.000 . . . . . . . 28 TYR CA . 50998 1 119 . 1 . 1 28 28 TYR CB C 13 38.401 0.000 . . . . . . . 28 TYR CB . 50998 1 120 . 1 . 1 28 28 TYR N N 15 120.630 0.000 . . . . . . . 28 TYR N . 50998 1 121 . 1 . 1 29 29 ILE H H 1 8.846 0.000 . . . . . . . 29 ILE H . 50998 1 122 . 1 . 1 29 29 ILE C C 13 178.360 0.000 . . . . . . . 29 ILE C . 50998 1 123 . 1 . 1 29 29 ILE CA C 13 66.260 0.000 . . . . . . . 29 ILE CA . 50998 1 124 . 1 . 1 29 29 ILE CB C 13 38.440 0.000 . . . . . . . 29 ILE CB . 50998 1 125 . 1 . 1 29 29 ILE N N 15 118.578 0.000 . . . . . . . 29 ILE N . 50998 1 126 . 1 . 1 30 30 HIS H H 1 8.197 0.000 . . . . . . . 30 HIS H . 50998 1 127 . 1 . 1 30 30 HIS C C 13 177.920 0.000 . . . . . . . 30 HIS C . 50998 1 128 . 1 . 1 30 30 HIS CA C 13 59.000 0.000 . . . . . . . 30 HIS CA . 50998 1 129 . 1 . 1 30 30 HIS CB C 13 28.280 0.000 . . . . . . . 30 HIS CB . 50998 1 130 . 1 . 1 30 30 HIS N N 15 120.138 0.000 . . . . . . . 30 HIS N . 50998 1 131 . 1 . 1 31 31 ASN H H 1 8.130 0.000 . . . . . . . 31 ASN H . 50998 1 132 . 1 . 1 31 31 ASN C C 13 177.570 0.000 . . . . . . . 31 ASN C . 50998 1 133 . 1 . 1 31 31 ASN CA C 13 57.000 0.000 . . . . . . . 31 ASN CA . 50998 1 134 . 1 . 1 31 31 ASN CB C 13 38.000 0.000 . . . . . . . 31 ASN CB . 50998 1 135 . 1 . 1 31 31 ASN N N 15 120.582 0.000 . . . . . . . 31 ASN N . 50998 1 136 . 1 . 1 32 32 LEU H H 1 8.538 0.000 . . . . . . . 32 LEU H . 50998 1 137 . 1 . 1 32 32 LEU C C 13 179.540 0.000 . . . . . . . 32 LEU C . 50998 1 138 . 1 . 1 32 32 LEU CA C 13 58.150 0.000 . . . . . . . 32 LEU CA . 50998 1 139 . 1 . 1 32 32 LEU CB C 13 42.757 0.000 . . . . . . . 32 LEU CB . 50998 1 140 . 1 . 1 32 32 LEU N N 15 120.182 0.000 . . . . . . . 32 LEU N . 50998 1 141 . 1 . 1 33 33 SER H H 1 8.553 0.000 . . . . . . . 33 SER H . 50998 1 142 . 1 . 1 33 33 SER CA C 13 62.490 0.000 . . . . . . . 33 SER CA . 50998 1 143 . 1 . 1 33 33 SER CB C 13 62.410 0.000 . . . . . . . 33 SER CB . 50998 1 144 . 1 . 1 33 33 SER N N 15 115.532 0.000 . . . . . . . 33 SER N . 50998 1 145 . 1 . 1 34 34 SER H H 1 8.042 0.000 . . . . . . . 34 SER H . 50998 1 146 . 1 . 1 34 34 SER CA C 13 62.470 0.000 . . . . . . . 34 SER CA . 50998 1 147 . 1 . 1 34 34 SER CB C 13 62.500 0.000 . . . . . . . 34 SER CB . 50998 1 148 . 1 . 1 34 34 SER N N 15 120.510 0.000 . . . . . . . 34 SER N . 50998 1 149 . 1 . 1 35 35 GLU H H 1 8.278 0.000 . . . . . . . 35 GLU H . 50998 1 150 . 1 . 1 35 35 GLU C C 13 179.090 0.000 . . . . . . . 35 GLU C . 50998 1 151 . 1 . 1 35 35 GLU CA C 13 59.390 0.000 . . . . . . . 35 GLU CA . 50998 1 152 . 1 . 1 35 35 GLU CB C 13 29.415 0.000 . . . . . . . 35 GLU CB . 50998 1 153 . 1 . 1 35 35 GLU N N 15 122.830 0.000 . . . . . . . 35 GLU N . 50998 1 154 . 1 . 1 36 36 MET H H 1 8.806 0.000 . . . . . . . 36 MET H . 50998 1 155 . 1 . 1 36 36 MET C C 13 177.300 0.000 . . . . . . . 36 MET C . 50998 1 156 . 1 . 1 36 36 MET CA C 13 60.240 0.000 . . . . . . . 36 MET CA . 50998 1 157 . 1 . 1 36 36 MET CB C 13 33.266 0.000 . . . . . . . 36 MET CB . 50998 1 158 . 1 . 1 36 36 MET N N 15 118.924 0.000 . . . . . . . 36 MET N . 50998 1 159 . 1 . 1 37 37 PHE H H 1 7.975 0.000 . . . . . . . 37 PHE H . 50998 1 160 . 1 . 1 37 37 PHE C C 13 176.430 0.000 . . . . . . . 37 PHE C . 50998 1 161 . 1 . 1 37 37 PHE CA C 13 62.210 0.000 . . . . . . . 37 PHE CA . 50998 1 162 . 1 . 1 37 37 PHE CB C 13 39.100 0.000 . . . . . . . 37 PHE CB . 50998 1 163 . 1 . 1 37 37 PHE N N 15 117.348 0.000 . . . . . . . 37 PHE N . 50998 1 164 . 1 . 1 38 38 SER H H 1 8.186 0.000 . . . . . . . 38 SER H . 50998 1 165 . 1 . 1 38 38 SER C C 13 177.060 0.000 . . . . . . . 38 SER C . 50998 1 166 . 1 . 1 38 38 SER CA C 13 61.960 0.000 . . . . . . . 38 SER CA . 50998 1 167 . 1 . 1 38 38 SER CB C 13 62.920 0.000 . . . . . . . 38 SER CB . 50998 1 168 . 1 . 1 38 38 SER N N 15 113.754 0.000 . . . . . . . 38 SER N . 50998 1 169 . 1 . 1 39 39 GLU H H 1 8.355 0.000 . . . . . . . 39 GLU H . 50998 1 170 . 1 . 1 39 39 GLU C C 13 178.700 0.000 . . . . . . . 39 GLU C . 50998 1 171 . 1 . 1 39 39 GLU CA C 13 59.080 0.000 . . . . . . . 39 GLU CA . 50998 1 172 . 1 . 1 39 39 GLU CB C 13 29.680 0.000 . . . . . . . 39 GLU CB . 50998 1 173 . 1 . 1 39 39 GLU N N 15 120.388 0.000 . . . . . . . 39 GLU N . 50998 1 174 . 1 . 1 40 40 PHE H H 1 8.336 0.000 . . . . . . . 40 PHE H . 50998 1 175 . 1 . 1 40 40 PHE C C 13 176.870 0.000 . . . . . . . 40 PHE C . 50998 1 176 . 1 . 1 40 40 PHE CA C 13 62.440 0.000 . . . . . . . 40 PHE CA . 50998 1 177 . 1 . 1 40 40 PHE CB C 13 40.052 0.000 . . . . . . . 40 PHE CB . 50998 1 178 . 1 . 1 40 40 PHE N N 15 120.690 0.000 . . . . . . . 40 PHE N . 50998 1 179 . 1 . 1 41 41 ASP H H 1 8.664 0.000 . . . . . . . 41 ASP H . 50998 1 180 . 1 . 1 41 41 ASP C C 13 178.710 0.000 . . . . . . . 41 ASP C . 50998 1 181 . 1 . 1 41 41 ASP CA C 13 56.060 0.000 . . . . . . . 41 ASP CA . 50998 1 182 . 1 . 1 41 41 ASP CB C 13 42.330 0.000 . . . . . . . 41 ASP CB . 50998 1 183 . 1 . 1 41 41 ASP N N 15 119.653 0.000 . . . . . . . 41 ASP N . 50998 1 184 . 1 . 1 42 42 LYS H H 1 8.037 0.000 . . . . . . . 42 LYS H . 50998 1 185 . 1 . 1 42 42 LYS C C 13 178.020 0.000 . . . . . . . 42 LYS C . 50998 1 186 . 1 . 1 42 42 LYS CA C 13 59.200 0.000 . . . . . . . 42 LYS CA . 50998 1 187 . 1 . 1 42 42 LYS CB C 13 31.983 0.000 . . . . . . . 42 LYS CB . 50998 1 188 . 1 . 1 42 42 LYS N N 15 116.566 0.000 . . . . . . . 42 LYS N . 50998 1 189 . 1 . 1 43 43 ARG H H 1 7.290 0.000 . . . . . . . 43 ARG H . 50998 1 190 . 1 . 1 43 43 ARG C C 13 177.400 0.000 . . . . . . . 43 ARG C . 50998 1 191 . 1 . 1 43 43 ARG CA C 13 57.420 0.000 . . . . . . . 43 ARG CA . 50998 1 192 . 1 . 1 43 43 ARG CB C 13 30.470 0.000 . . . . . . . 43 ARG CB . 50998 1 193 . 1 . 1 43 43 ARG N N 15 115.520 0.000 . . . . . . . 43 ARG N . 50998 1 194 . 1 . 1 44 44 TYR H H 1 8.067 0.000 . . . . . . . 44 TYR H . 50998 1 195 . 1 . 1 44 44 TYR C C 13 176.470 0.000 . . . . . . . 44 TYR C . 50998 1 196 . 1 . 1 44 44 TYR CA C 13 59.857 0.000 . . . . . . . 44 TYR CA . 50998 1 197 . 1 . 1 44 44 TYR CB C 13 40.510 0.000 . . . . . . . 44 TYR CB . 50998 1 198 . 1 . 1 44 44 TYR N N 15 114.102 0.000 . . . . . . . 44 TYR N . 50998 1 199 . 1 . 1 45 45 THR H H 1 7.640 0.000 . . . . . . . 45 THR H . 50998 1 200 . 1 . 1 45 45 THR C C 13 175.649 0.000 . . . . . . . 45 THR C . 50998 1 201 . 1 . 1 45 45 THR CA C 13 63.153 0.000 . . . . . . . 45 THR CA . 50998 1 202 . 1 . 1 45 45 THR CB C 13 69.302 0.000 . . . . . . . 45 THR CB . 50998 1 203 . 1 . 1 45 45 THR N N 15 108.244 0.000 . . . . . . . 45 THR N . 50998 1 204 . 1 . 1 46 46 HIS H H 1 8.505 0.000 . . . . . . . 46 HIS H . 50998 1 205 . 1 . 1 46 46 HIS C C 13 176.630 0.000 . . . . . . . 46 HIS C . 50998 1 206 . 1 . 1 46 46 HIS CA C 13 58.207 0.000 . . . . . . . 46 HIS CA . 50998 1 207 . 1 . 1 46 46 HIS CB C 13 29.003 0.000 . . . . . . . 46 HIS CB . 50998 1 208 . 1 . 1 46 46 HIS N N 15 123.348 0.000 . . . . . . . 46 HIS N . 50998 1 209 . 1 . 1 48 48 ARG CA C 13 55.760 0.000 . . . . . . . 48 ARG CA . 50998 1 210 . 1 . 1 48 48 ARG CB C 13 30.460 0.000 . . . . . . . 48 ARG CB . 50998 1 211 . 1 . 1 50 50 PHE H H 1 7.664 0.000 . . . . . . . 50 PHE H . 50998 1 212 . 1 . 1 50 50 PHE C C 13 176.180 0.000 . . . . . . . 50 PHE C . 50998 1 213 . 1 . 1 50 50 PHE CA C 13 57.652 0.000 . . . . . . . 50 PHE CA . 50998 1 214 . 1 . 1 50 50 PHE CB C 13 38.194 0.000 . . . . . . . 50 PHE CB . 50998 1 215 . 1 . 1 50 50 PHE N N 15 117.619 0.000 . . . . . . . 50 PHE N . 50998 1 216 . 1 . 1 51 51 ILE H H 1 7.554 0.000 . . . . . . . 51 ILE H . 50998 1 217 . 1 . 1 51 51 ILE C C 13 176.409 0.000 . . . . . . . 51 ILE C . 50998 1 218 . 1 . 1 51 51 ILE CA C 13 61.500 0.000 . . . . . . . 51 ILE CA . 50998 1 219 . 1 . 1 51 51 ILE CB C 13 37.677 0.000 . . . . . . . 51 ILE CB . 50998 1 220 . 1 . 1 51 51 ILE N N 15 120.787 0.000 . . . . . . . 51 ILE N . 50998 1 221 . 1 . 1 52 52 THR H H 1 7.780 0.000 . . . . . . . 52 THR H . 50998 1 222 . 1 . 1 52 52 THR C C 13 174.882 0.000 . . . . . . . 52 THR C . 50998 1 223 . 1 . 1 52 52 THR CA C 13 62.618 0.000 . . . . . . . 52 THR CA . 50998 1 224 . 1 . 1 52 52 THR CB C 13 69.256 0.000 . . . . . . . 52 THR CB . 50998 1 225 . 1 . 1 52 52 THR N N 15 115.342 0.000 . . . . . . . 52 THR N . 50998 1 226 . 1 . 1 53 53 LYS H H 1 7.835 0.000 . . . . . . . 53 LYS H . 50998 1 227 . 1 . 1 53 53 LYS C C 13 176.303 0.000 . . . . . . . 53 LYS C . 50998 1 228 . 1 . 1 53 53 LYS CA C 13 56.400 0.000 . . . . . . . 53 LYS CA . 50998 1 229 . 1 . 1 53 53 LYS CB C 13 32.399 0.000 . . . . . . . 53 LYS CB . 50998 1 230 . 1 . 1 53 53 LYS N N 15 121.297 0.000 . . . . . . . 53 LYS N . 50998 1 231 . 1 . 1 54 54 ALA H H 1 7.889 0.000 . . . . . . . 54 ALA H . 50998 1 232 . 1 . 1 54 54 ALA C C 13 177.680 0.000 . . . . . . . 54 ALA C . 50998 1 233 . 1 . 1 54 54 ALA CA C 13 52.732 0.000 . . . . . . . 54 ALA CA . 50998 1 234 . 1 . 1 54 54 ALA CB C 13 18.990 0.000 . . . . . . . 54 ALA CB . 50998 1 235 . 1 . 1 54 54 ALA N N 15 123.540 0.000 . . . . . . . 54 ALA N . 50998 1 236 . 1 . 1 55 55 ILE H H 1 7.876 0.000 . . . . . . . 55 ILE H . 50998 1 237 . 1 . 1 55 55 ILE C C 13 174.916 0.000 . . . . . . . 55 ILE C . 50998 1 238 . 1 . 1 55 55 ILE CA C 13 61.392 0.000 . . . . . . . 55 ILE CA . 50998 1 239 . 1 . 1 55 55 ILE CB C 13 38.142 0.000 . . . . . . . 55 ILE CB . 50998 1 240 . 1 . 1 55 55 ILE N N 15 118.574 0.000 . . . . . . . 55 ILE N . 50998 1 241 . 1 . 1 56 56 ASN H H 1 7.813 0.000 . . . . . . . 56 ASN H . 50998 1 242 . 1 . 1 56 56 ASN C C 13 179.027 0.000 . . . . . . . 56 ASN C . 50998 1 243 . 1 . 1 56 56 ASN CA C 13 54.977 0.000 . . . . . . . 56 ASN CA . 50998 1 244 . 1 . 1 56 56 ASN CB C 13 41.402 0.000 . . . . . . . 56 ASN CB . 50998 1 245 . 1 . 1 56 56 ASN N N 15 126.565 0.000 . . . . . . . 56 ASN N . 50998 1 246 . 1 . 1 57 57 SER H H 1 8.119 0.000 . . . . . . . 57 SER H . 50998 1 247 . 1 . 1 57 57 SER C C 13 177.684 0.000 . . . . . . . 57 SER C . 50998 1 248 . 1 . 1 57 57 SER CA C 13 58.150 0.000 . . . . . . . 57 SER CA . 50998 1 249 . 1 . 1 57 57 SER CB C 13 63.840 0.000 . . . . . . . 57 SER CB . 50998 1 250 . 1 . 1 57 57 SER N N 15 115.399 0.000 . . . . . . . 57 SER N . 50998 1 251 . 1 . 1 60 60 THR H H 1 7.395 0.000 . . . . . . . 60 THR H . 50998 1 252 . 1 . 1 60 60 THR C C 13 176.901 0.000 . . . . . . . 60 THR C . 50998 1 253 . 1 . 1 60 60 THR CA C 13 62.085 0.000 . . . . . . . 60 THR CA . 50998 1 254 . 1 . 1 60 60 THR CB C 13 68.156 0.000 . . . . . . . 60 THR CB . 50998 1 255 . 1 . 1 60 60 THR N N 15 107.898 0.000 . . . . . . . 60 THR N . 50998 1 256 . 1 . 1 61 61 SER H H 1 7.879 0.000 . . . . . . . 61 SER H . 50998 1 257 . 1 . 1 61 61 SER C C 13 173.748 0.000 . . . . . . . 61 SER C . 50998 1 258 . 1 . 1 61 61 SER CA C 13 61.490 0.000 . . . . . . . 61 SER CA . 50998 1 259 . 1 . 1 61 61 SER CB C 13 62.996 0.000 . . . . . . . 61 SER CB . 50998 1 260 . 1 . 1 61 61 SER N N 15 117.751 0.000 . . . . . . . 61 SER N . 50998 1 261 . 1 . 1 62 62 SER C C 13 174.870 0.000 . . . . . . . 62 SER C . 50998 1 262 . 1 . 1 62 62 SER CA C 13 59.070 0.000 . . . . . . . 62 SER CA . 50998 1 263 . 1 . 1 62 62 SER CB C 13 62.780 0.000 . . . . . . . 62 SER CB . 50998 1 264 . 1 . 1 63 63 LEU H H 1 7.477 0.000 . . . . . . . 63 LEU H . 50998 1 265 . 1 . 1 63 63 LEU C C 13 176.150 0.000 . . . . . . . 63 LEU C . 50998 1 266 . 1 . 1 63 63 LEU CA C 13 54.512 0.000 . . . . . . . 63 LEU CA . 50998 1 267 . 1 . 1 63 63 LEU CB C 13 42.023 0.000 . . . . . . . 63 LEU CB . 50998 1 268 . 1 . 1 63 63 LEU N N 15 122.557 0.000 . . . . . . . 63 LEU N . 50998 1 269 . 1 . 1 64 64 ALA H H 1 8.298 0.000 . . . . . . . 64 ALA H . 50998 1 270 . 1 . 1 64 64 ALA C C 13 176.850 0.000 . . . . . . . 64 ALA C . 50998 1 271 . 1 . 1 64 64 ALA CA C 13 51.920 0.000 . . . . . . . 64 ALA CA . 50998 1 272 . 1 . 1 64 64 ALA CB C 13 17.404 0.000 . . . . . . . 64 ALA CB . 50998 1 273 . 1 . 1 64 64 ALA N N 15 126.186 0.000 . . . . . . . 64 ALA N . 50998 1 274 . 1 . 1 65 65 THR H H 1 7.970 0.000 . . . . . . . 65 THR H . 50998 1 275 . 1 . 1 65 65 THR C C 13 173.220 0.000 . . . . . . . 65 THR C . 50998 1 276 . 1 . 1 65 65 THR CA C 13 58.253 0.000 . . . . . . . 65 THR CA . 50998 1 277 . 1 . 1 65 65 THR CB C 13 68.550 0.000 . . . . . . . 65 THR CB . 50998 1 278 . 1 . 1 65 65 THR N N 15 112.623 0.000 . . . . . . . 65 THR N . 50998 1 279 . 1 . 1 66 66 PRO CA C 13 62.690 0.000 . . . . . . . 66 PRO CA . 50998 1 280 . 1 . 1 66 66 PRO CB C 13 31.410 0.000 . . . . . . . 66 PRO CB . 50998 1 281 . 1 . 1 67 67 GLU H H 1 8.726 0.000 . . . . . . . 67 GLU H . 50998 1 282 . 1 . 1 67 67 GLU C C 13 175.752 0.000 . . . . . . . 67 GLU C . 50998 1 283 . 1 . 1 67 67 GLU CA C 13 57.198 0.000 . . . . . . . 67 GLU CA . 50998 1 284 . 1 . 1 67 67 GLU CB C 13 30.424 0.000 . . . . . . . 67 GLU CB . 50998 1 285 . 1 . 1 67 67 GLU N N 15 123.408 0.000 . . . . . . . 67 GLU N . 50998 1 286 . 1 . 1 68 68 ASP H H 1 7.556 0.000 . . . . . . . 68 ASP H . 50998 1 287 . 1 . 1 68 68 ASP C C 13 176.420 0.000 . . . . . . . 68 ASP C . 50998 1 288 . 1 . 1 68 68 ASP CA C 13 52.900 0.000 . . . . . . . 68 ASP CA . 50998 1 289 . 1 . 1 68 68 ASP CB C 13 42.700 0.000 . . . . . . . 68 ASP CB . 50998 1 290 . 1 . 1 68 68 ASP N N 15 116.144 0.000 . . . . . . . 68 ASP N . 50998 1 291 . 1 . 1 69 69 LYS CA C 13 59.210 0.000 . . . . . . . 69 LYS CA . 50998 1 292 . 1 . 1 69 69 LYS CB C 13 32.590 0.000 . . . . . . . 69 LYS CB . 50998 1 293 . 1 . 1 70 70 GLU H H 1 8.267 0.000 . . . . . . . 70 GLU H . 50998 1 294 . 1 . 1 70 70 GLU C C 13 179.220 0.000 . . . . . . . 70 GLU C . 50998 1 295 . 1 . 1 70 70 GLU CA C 13 59.660 0.000 . . . . . . . 70 GLU CA . 50998 1 296 . 1 . 1 70 70 GLU CB C 13 28.682 0.000 . . . . . . . 70 GLU CB . 50998 1 297 . 1 . 1 70 70 GLU N N 15 120.271 0.000 . . . . . . . 70 GLU N . 50998 1 298 . 1 . 1 71 71 GLN H H 1 8.495 0.000 . . . . . . . 71 GLN H . 50998 1 299 . 1 . 1 71 71 GLN C C 13 179.170 0.000 . . . . . . . 71 GLN C . 50998 1 300 . 1 . 1 71 71 GLN CA C 13 58.480 0.000 . . . . . . . 71 GLN CA . 50998 1 301 . 1 . 1 71 71 GLN CB C 13 28.728 0.000 . . . . . . . 71 GLN CB . 50998 1 302 . 1 . 1 71 71 GLN N N 15 118.240 0.000 . . . . . . . 71 GLN N . 50998 1 303 . 1 . 1 72 72 ALA H H 1 7.894 0.000 . . . . . . . 72 ALA H . 50998 1 304 . 1 . 1 72 72 ALA C C 13 178.694 0.000 . . . . . . . 72 ALA C . 50998 1 305 . 1 . 1 72 72 ALA CA C 13 54.630 0.000 . . . . . . . 72 ALA CA . 50998 1 306 . 1 . 1 72 72 ALA CB C 13 18.000 0.000 . . . . . . . 72 ALA CB . 50998 1 307 . 1 . 1 72 72 ALA N N 15 121.219 0.000 . . . . . . . 72 ALA N . 50998 1 308 . 1 . 1 73 73 GLN H H 1 8.019 0.000 . . . . . . . 73 GLN H . 50998 1 309 . 1 . 1 73 73 GLN C C 13 176.792 0.000 . . . . . . . 73 GLN C . 50998 1 310 . 1 . 1 73 73 GLN CA C 13 57.900 0.000 . . . . . . . 73 GLN CA . 50998 1 311 . 1 . 1 73 73 GLN CB C 13 28.544 0.000 . . . . . . . 73 GLN CB . 50998 1 312 . 1 . 1 73 73 GLN N N 15 115.400 0.000 . . . . . . . 73 GLN N . 50998 1 313 . 1 . 1 74 74 GLN H H 1 7.344 0.000 . . . . . . . 74 GLN H . 50998 1 314 . 1 . 1 74 74 GLN C C 13 176.281 0.000 . . . . . . . 74 GLN C . 50998 1 315 . 1 . 1 74 74 GLN CA C 13 55.790 0.000 . . . . . . . 74 GLN CA . 50998 1 316 . 1 . 1 74 74 GLN CB C 13 29.003 0.000 . . . . . . . 74 GLN CB . 50998 1 317 . 1 . 1 74 74 GLN N N 15 114.638 0.000 . . . . . . . 74 GLN N . 50998 1 318 . 1 . 1 75 75 MET H H 1 7.236 0.000 . . . . . . . 75 MET H . 50998 1 319 . 1 . 1 75 75 MET C C 13 175.900 0.000 . . . . . . . 75 MET C . 50998 1 320 . 1 . 1 75 75 MET CA C 13 56.010 0.000 . . . . . . . 75 MET CA . 50998 1 321 . 1 . 1 75 75 MET CB C 13 33.037 0.000 . . . . . . . 75 MET CB . 50998 1 322 . 1 . 1 75 75 MET N N 15 119.819 0.000 . . . . . . . 75 MET N . 50998 1 323 . 1 . 1 76 76 ASN H H 1 8.939 0.000 . . . . . . . 76 ASN H . 50998 1 324 . 1 . 1 76 76 ASN C C 13 175.914 0.000 . . . . . . . 76 ASN C . 50998 1 325 . 1 . 1 76 76 ASN CA C 13 53.510 0.000 . . . . . . . 76 ASN CA . 50998 1 326 . 1 . 1 76 76 ASN CB C 13 39.300 0.000 . . . . . . . 76 ASN CB . 50998 1 327 . 1 . 1 76 76 ASN N N 15 123.480 0.000 . . . . . . . 76 ASN N . 50998 1 328 . 1 . 1 78 78 LYS H H 1 8.147 0.000 . . . . . . . 78 LYS H . 50998 1 329 . 1 . 1 78 78 LYS C C 13 178.490 0.000 . . . . . . . 78 LYS C . 50998 1 330 . 1 . 1 78 78 LYS CA C 13 60.030 0.000 . . . . . . . 78 LYS CA . 50998 1 331 . 1 . 1 78 78 LYS CB C 13 31.203 0.000 . . . . . . . 78 LYS CB . 50998 1 332 . 1 . 1 78 78 LYS N N 15 119.777 0.000 . . . . . . . 78 LYS N . 50998 1 333 . 1 . 1 79 79 ASP H H 1 7.862 0.000 . . . . . . . 79 ASP H . 50998 1 334 . 1 . 1 79 79 ASP C C 13 178.800 0.000 . . . . . . . 79 ASP C . 50998 1 335 . 1 . 1 79 79 ASP CA C 13 56.930 0.000 . . . . . . . 79 ASP CA . 50998 1 336 . 1 . 1 79 79 ASP CB C 13 40.340 0.000 . . . . . . . 79 ASP CB . 50998 1 337 . 1 . 1 79 79 ASP N N 15 119.632 0.000 . . . . . . . 79 ASP N . 50998 1 338 . 1 . 1 80 80 PHE H H 1 8.285 0.000 . . . . . . . 80 PHE H . 50998 1 339 . 1 . 1 80 80 PHE C C 13 178.030 0.000 . . . . . . . 80 PHE C . 50998 1 340 . 1 . 1 80 80 PHE CA C 13 59.720 0.000 . . . . . . . 80 PHE CA . 50998 1 341 . 1 . 1 80 80 PHE CB C 13 39.181 0.000 . . . . . . . 80 PHE CB . 50998 1 342 . 1 . 1 80 80 PHE N N 15 121.376 0.000 . . . . . . . 80 PHE N . 50998 1 343 . 1 . 1 81 81 LEU H H 1 8.299 0.000 . . . . . . . 81 LEU H . 50998 1 344 . 1 . 1 81 81 LEU C C 13 178.390 0.000 . . . . . . . 81 LEU C . 50998 1 345 . 1 . 1 81 81 LEU CA C 13 58.650 0.000 . . . . . . . 81 LEU CA . 50998 1 346 . 1 . 1 81 81 LEU CB C 13 41.290 0.000 . . . . . . . 81 LEU CB . 50998 1 347 . 1 . 1 81 81 LEU N N 15 118.026 0.000 . . . . . . . 81 LEU N . 50998 1 348 . 1 . 1 82 82 SER H H 1 8.054 0.000 . . . . . . . 82 SER H . 50998 1 349 . 1 . 1 82 82 SER C C 13 176.800 0.000 . . . . . . . 82 SER C . 50998 1 350 . 1 . 1 82 82 SER CA C 13 62.070 0.000 . . . . . . . 82 SER CA . 50998 1 351 . 1 . 1 82 82 SER CB C 13 62.870 0.000 . . . . . . . 82 SER CB . 50998 1 352 . 1 . 1 82 82 SER N N 15 112.540 0.000 . . . . . . . 82 SER N . 50998 1 353 . 1 . 1 83 83 LEU H H 1 7.921 0.000 . . . . . . . 83 LEU H . 50998 1 354 . 1 . 1 83 83 LEU C C 13 178.190 0.000 . . . . . . . 83 LEU C . 50998 1 355 . 1 . 1 83 83 LEU CA C 13 58.250 0.000 . . . . . . . 83 LEU CA . 50998 1 356 . 1 . 1 83 83 LEU CB C 13 41.565 0.000 . . . . . . . 83 LEU CB . 50998 1 357 . 1 . 1 83 83 LEU N N 15 123.389 0.000 . . . . . . . 83 LEU N . 50998 1 358 . 1 . 1 84 84 ILE H H 1 7.825 0.000 . . . . . . . 84 ILE H . 50998 1 359 . 1 . 1 84 84 ILE C C 13 177.560 0.000 . . . . . . . 84 ILE C . 50998 1 360 . 1 . 1 84 84 ILE CA C 13 66.220 0.000 . . . . . . . 84 ILE CA . 50998 1 361 . 1 . 1 84 84 ILE CB C 13 38.218 0.000 . . . . . . . 84 ILE CB . 50998 1 362 . 1 . 1 84 84 ILE N N 15 117.789 0.000 . . . . . . . 84 ILE N . 50998 1 363 . 1 . 1 85 85 VAL H H 1 7.813 0.000 . . . . . . . 85 VAL H . 50998 1 364 . 1 . 1 85 85 VAL C C 13 177.290 0.000 . . . . . . . 85 VAL C . 50998 1 365 . 1 . 1 85 85 VAL CA C 13 67.697 0.000 . . . . . . . 85 VAL CA . 50998 1 366 . 1 . 1 85 85 VAL CB C 13 31.341 0.000 . . . . . . . 85 VAL CB . 50998 1 367 . 1 . 1 85 85 VAL N N 15 117.165 0.000 . . . . . . . 85 VAL N . 50998 1 368 . 1 . 1 86 86 SER H H 1 8.437 0.000 . . . . . . . 86 SER H . 50998 1 369 . 1 . 1 86 86 SER C C 13 176.660 0.000 . . . . . . . 86 SER C . 50998 1 370 . 1 . 1 86 86 SER CA C 13 63.170 0.000 . . . . . . . 86 SER CA . 50998 1 371 . 1 . 1 86 86 SER CB C 13 63.280 0.000 . . . . . . . 86 SER CB . 50998 1 372 . 1 . 1 86 86 SER N N 15 115.546 0.000 . . . . . . . 86 SER N . 50998 1 373 . 1 . 1 87 87 ILE H H 1 8.371 0.000 . . . . . . . 87 ILE H . 50998 1 374 . 1 . 1 87 87 ILE C C 13 178.890 0.000 . . . . . . . 87 ILE C . 50998 1 375 . 1 . 1 87 87 ILE CA C 13 66.400 0.000 . . . . . . . 87 ILE CA . 50998 1 376 . 1 . 1 87 87 ILE CB C 13 37.897 0.000 . . . . . . . 87 ILE CB . 50998 1 377 . 1 . 1 87 87 ILE N N 15 121.117 0.000 . . . . . . . 87 ILE N . 50998 1 378 . 1 . 1 88 88 LEU H H 1 8.090 0.000 . . . . . . . 88 LEU H . 50998 1 379 . 1 . 1 88 88 LEU C C 13 179.730 0.000 . . . . . . . 88 LEU C . 50998 1 380 . 1 . 1 88 88 LEU CA C 13 58.950 0.000 . . . . . . . 88 LEU CA . 50998 1 381 . 1 . 1 88 88 LEU CB C 13 42.803 0.000 . . . . . . . 88 LEU CB . 50998 1 382 . 1 . 1 88 88 LEU N N 15 118.815 0.000 . . . . . . . 88 LEU N . 50998 1 383 . 1 . 1 89 89 ARG H H 1 8.938 0.000 . . . . . . . 89 ARG H . 50998 1 384 . 1 . 1 89 89 ARG C C 13 179.610 0.000 . . . . . . . 89 ARG C . 50998 1 385 . 1 . 1 89 89 ARG CA C 13 59.480 0.000 . . . . . . . 89 ARG CA . 50998 1 386 . 1 . 1 89 89 ARG CB C 13 29.324 0.000 . . . . . . . 89 ARG CB . 50998 1 387 . 1 . 1 89 89 ARG N N 15 117.695 0.000 . . . . . . . 89 ARG N . 50998 1 388 . 1 . 1 90 90 SER H H 1 7.843 0.000 . . . . . . . 90 SER H . 50998 1 389 . 1 . 1 90 90 SER C C 13 175.640 0.000 . . . . . . . 90 SER C . 50998 1 390 . 1 . 1 90 90 SER CA C 13 61.020 0.000 . . . . . . . 90 SER CA . 50998 1 391 . 1 . 1 90 90 SER CB C 13 63.410 0.000 . . . . . . . 90 SER CB . 50998 1 392 . 1 . 1 90 90 SER N N 15 113.839 0.000 . . . . . . . 90 SER N . 50998 1 393 . 1 . 1 91 91 TRP H H 1 7.707 0.000 . . . . . . . 91 TRP H . 50998 1 394 . 1 . 1 91 91 TRP C C 13 176.480 0.000 . . . . . . . 91 TRP C . 50998 1 395 . 1 . 1 91 91 TRP CA C 13 59.400 0.000 . . . . . . . 91 TRP CA . 50998 1 396 . 1 . 1 91 91 TRP CB C 13 29.980 0.000 . . . . . . . 91 TRP CB . 50998 1 397 . 1 . 1 91 91 TRP N N 15 121.165 0.000 . . . . . . . 91 TRP N . 50998 1 398 . 1 . 1 92 92 ASN H H 1 7.291 0.000 . . . . . . . 92 ASN H . 50998 1 399 . 1 . 1 92 92 ASN C C 13 177.100 0.000 . . . . . . . 92 ASN C . 50998 1 400 . 1 . 1 92 92 ASN CA C 13 57.760 0.000 . . . . . . . 92 ASN CA . 50998 1 401 . 1 . 1 92 92 ASN CB C 13 38.920 0.000 . . . . . . . 92 ASN CB . 50998 1 402 . 1 . 1 92 92 ASN N N 15 119.260 0.000 . . . . . . . 92 ASN N . 50998 1 403 . 1 . 1 93 93 GLU H H 1 9.155 0.000 . . . . . . . 93 GLU H . 50998 1 404 . 1 . 1 93 93 GLU C C 13 175.709 0.000 . . . . . . . 93 GLU C . 50998 1 405 . 1 . 1 93 93 GLU CA C 13 61.100 0.000 . . . . . . . 93 GLU CA . 50998 1 406 . 1 . 1 93 93 GLU CB C 13 27.031 0.000 . . . . . . . 93 GLU CB . 50998 1 407 . 1 . 1 93 93 GLU N N 15 118.923 0.000 . . . . . . . 93 GLU N . 50998 1 408 . 1 . 1 94 94 PRO C C 13 178.160 0.000 . . . . . . . 94 PRO C . 50998 1 409 . 1 . 1 94 94 PRO CA C 13 66.150 0.000 . . . . . . . 94 PRO CA . 50998 1 410 . 1 . 1 94 94 PRO CB C 13 29.770 0.000 . . . . . . . 94 PRO CB . 50998 1 411 . 1 . 1 95 95 LEU H H 1 7.767 0.000 . . . . . . . 95 LEU H . 50998 1 412 . 1 . 1 95 95 LEU C C 13 178.150 0.000 . . . . . . . 95 LEU C . 50998 1 413 . 1 . 1 95 95 LEU CA C 13 58.500 0.000 . . . . . . . 95 LEU CA . 50998 1 414 . 1 . 1 95 95 LEU CB C 13 40.923 0.000 . . . . . . . 95 LEU CB . 50998 1 415 . 1 . 1 95 95 LEU N N 15 113.351 0.000 . . . . . . . 95 LEU N . 50998 1 416 . 1 . 1 96 96 TYR H H 1 7.761 0.000 . . . . . . . 96 TYR H . 50998 1 417 . 1 . 1 96 96 TYR C C 13 179.270 0.000 . . . . . . . 96 TYR C . 50998 1 418 . 1 . 1 96 96 TYR CA C 13 61.250 0.000 . . . . . . . 96 TYR CA . 50998 1 419 . 1 . 1 96 96 TYR CB C 13 37.484 0.000 . . . . . . . 96 TYR CB . 50998 1 420 . 1 . 1 96 96 TYR N N 15 119.753 0.000 . . . . . . . 96 TYR N . 50998 1 421 . 1 . 1 97 97 HIS H H 1 8.163 0.000 . . . . . . . 97 HIS H . 50998 1 422 . 1 . 1 97 97 HIS C C 13 176.878 0.000 . . . . . . . 97 HIS C . 50998 1 423 . 1 . 1 97 97 HIS CA C 13 60.120 0.000 . . . . . . . 97 HIS CA . 50998 1 424 . 1 . 1 97 97 HIS CB C 13 30.650 0.000 . . . . . . . 97 HIS CB . 50998 1 425 . 1 . 1 97 97 HIS N N 15 119.091 0.000 . . . . . . . 97 HIS N . 50998 1 426 . 1 . 1 98 98 LEU H H 1 8.783 0.000 . . . . . . . 98 LEU H . 50998 1 427 . 1 . 1 98 98 LEU C C 13 177.600 0.000 . . . . . . . 98 LEU C . 50998 1 428 . 1 . 1 98 98 LEU CA C 13 58.860 0.000 . . . . . . . 98 LEU CA . 50998 1 429 . 1 . 1 98 98 LEU CB C 13 41.980 0.000 . . . . . . . 98 LEU CB . 50998 1 430 . 1 . 1 98 98 LEU N N 15 121.604 0.000 . . . . . . . 98 LEU N . 50998 1 431 . 1 . 1 99 99 VAL H H 1 7.720 0.000 . . . . . . . 99 VAL H . 50998 1 432 . 1 . 1 99 99 VAL C C 13 177.330 0.000 . . . . . . . 99 VAL C . 50998 1 433 . 1 . 1 99 99 VAL CA C 13 67.410 0.000 . . . . . . . 99 VAL CA . 50998 1 434 . 1 . 1 99 99 VAL CB C 13 32.000 0.000 . . . . . . . 99 VAL CB . 50998 1 435 . 1 . 1 99 99 VAL N N 15 116.083 0.000 . . . . . . . 99 VAL N . 50998 1 436 . 1 . 1 100 100 THR H H 1 7.552 0.000 . . . . . . . 100 THR H . 50998 1 437 . 1 . 1 100 100 THR C C 13 177.540 0.000 . . . . . . . 100 THR C . 50998 1 438 . 1 . 1 100 100 THR CA C 13 66.790 0.000 . . . . . . . 100 THR CA . 50998 1 439 . 1 . 1 100 100 THR CB C 13 68.640 0.000 . . . . . . . 100 THR CB . 50998 1 440 . 1 . 1 100 100 THR N N 15 113.029 0.000 . . . . . . . 100 THR N . 50998 1 441 . 1 . 1 101 101 GLU H H 1 8.844 0.000 . . . . . . . 101 GLU H . 50998 1 442 . 1 . 1 101 101 GLU C C 13 180.284 0.000 . . . . . . . 101 GLU C . 50998 1 443 . 1 . 1 101 101 GLU CA C 13 58.910 0.000 . . . . . . . 101 GLU CA . 50998 1 444 . 1 . 1 101 101 GLU CB C 13 29.359 0.000 . . . . . . . 101 GLU CB . 50998 1 445 . 1 . 1 101 101 GLU N N 15 120.828 0.000 . . . . . . . 101 GLU N . 50998 1 446 . 1 . 1 102 102 VAL H H 1 8.455 0.000 . . . . . . . 102 VAL H . 50998 1 447 . 1 . 1 102 102 VAL C C 13 178.464 0.000 . . . . . . . 102 VAL C . 50998 1 448 . 1 . 1 102 102 VAL CA C 13 66.090 0.000 . . . . . . . 102 VAL CA . 50998 1 449 . 1 . 1 102 102 VAL CB C 13 30.699 0.000 . . . . . . . 102 VAL CB . 50998 1 450 . 1 . 1 102 102 VAL N N 15 119.659 0.000 . . . . . . . 102 VAL N . 50998 1 451 . 1 . 1 103 103 ARG H H 1 8.189 0.000 . . . . . . . 103 ARG H . 50998 1 452 . 1 . 1 103 103 ARG C C 13 177.610 0.000 . . . . . . . 103 ARG C . 50998 1 453 . 1 . 1 103 103 ARG CA C 13 59.310 0.000 . . . . . . . 103 ARG CA . 50998 1 454 . 1 . 1 103 103 ARG CB C 13 29.657 0.000 . . . . . . . 103 ARG CB . 50998 1 455 . 1 . 1 103 103 ARG N N 15 118.682 0.000 . . . . . . . 103 ARG N . 50998 1 456 . 1 . 1 104 104 GLY H H 1 7.397 0.000 . . . . . . . 104 GLY H . 50998 1 457 . 1 . 1 104 104 GLY C C 13 174.345 0.000 . . . . . . . 104 GLY C . 50998 1 458 . 1 . 1 104 104 GLY CA C 13 45.075 0.000 . . . . . . . 104 GLY CA . 50998 1 459 . 1 . 1 104 104 GLY N N 15 103.228 0.000 . . . . . . . 104 GLY N . 50998 1 460 . 1 . 1 105 105 MET H H 1 7.468 0.000 . . . . . . . 105 MET H . 50998 1 461 . 1 . 1 105 105 MET C C 13 176.300 0.000 . . . . . . . 105 MET C . 50998 1 462 . 1 . 1 105 105 MET CA C 13 56.290 0.000 . . . . . . . 105 MET CA . 50998 1 463 . 1 . 1 105 105 MET CB C 13 33.020 0.000 . . . . . . . 105 MET CB . 50998 1 464 . 1 . 1 105 105 MET N N 15 121.226 0.000 . . . . . . . 105 MET N . 50998 1 465 . 1 . 1 106 106 GLN H H 1 8.581 0.000 . . . . . . . 106 GLN H . 50998 1 466 . 1 . 1 106 106 GLN C C 13 176.699 0.000 . . . . . . . 106 GLN C . 50998 1 467 . 1 . 1 106 106 GLN CA C 13 57.932 0.000 . . . . . . . 106 GLN CA . 50998 1 468 . 1 . 1 106 106 GLN CB C 13 28.453 0.000 . . . . . . . 106 GLN CB . 50998 1 469 . 1 . 1 106 106 GLN N N 15 123.131 0.000 . . . . . . . 106 GLN N . 50998 1 470 . 1 . 1 107 107 GLU H H 1 8.630 0.000 . . . . . . . 107 GLU H . 50998 1 471 . 1 . 1 107 107 GLU C C 13 175.590 0.000 . . . . . . . 107 GLU C . 50998 1 472 . 1 . 1 107 107 GLU CA C 13 56.006 0.000 . . . . . . . 107 GLU CA . 50998 1 473 . 1 . 1 107 107 GLU CB C 13 28.453 0.000 . . . . . . . 107 GLU CB . 50998 1 474 . 1 . 1 107 107 GLU N N 15 118.622 0.000 . . . . . . . 107 GLU N . 50998 1 475 . 1 . 1 108 108 ALA H H 1 7.760 0.000 . . . . . . . 108 ALA H . 50998 1 476 . 1 . 1 108 108 ALA C C 13 176.160 0.000 . . . . . . . 108 ALA C . 50998 1 477 . 1 . 1 108 108 ALA CA C 13 50.920 0.000 . . . . . . . 108 ALA CA . 50998 1 478 . 1 . 1 108 108 ALA CB C 13 18.137 0.000 . . . . . . . 108 ALA CB . 50998 1 479 . 1 . 1 108 108 ALA N N 15 124.039 0.000 . . . . . . . 108 ALA N . 50998 1 480 . 1 . 1 109 109 PRO C C 13 175.930 0.000 . . . . . . . 109 PRO C . 50998 1 481 . 1 . 1 109 109 PRO CA C 13 62.550 0.000 . . . . . . . 109 PRO CA . 50998 1 482 . 1 . 1 109 109 PRO CB C 13 31.550 0.000 . . . . . . . 109 PRO CB . 50998 1 483 . 1 . 1 110 110 GLU H H 1 8.849 0.000 . . . . . . . 110 GLU H . 50998 1 484 . 1 . 1 110 110 GLU C C 13 178.004 0.000 . . . . . . . 110 GLU C . 50998 1 485 . 1 . 1 110 110 GLU CA C 13 59.857 0.000 . . . . . . . 110 GLU CA . 50998 1 486 . 1 . 1 110 110 GLU CB C 13 29.186 0.000 . . . . . . . 110 GLU CB . 50998 1 487 . 1 . 1 110 110 GLU N N 15 127.641 0.000 . . . . . . . 110 GLU N . 50998 1 488 . 1 . 1 111 111 ALA CA C 13 54.630 0.000 . . . . . . . 111 ALA CA . 50998 1 489 . 1 . 1 111 111 ALA CB C 13 19.000 0.000 . . . . . . . 111 ALA CB . 50998 1 490 . 1 . 1 112 112 ILE H H 1 7.231 0.000 . . . . . . . 112 ILE H . 50998 1 491 . 1 . 1 112 112 ILE C C 13 176.430 0.000 . . . . . . . 112 ILE C . 50998 1 492 . 1 . 1 112 112 ILE CA C 13 64.029 0.000 . . . . . . . 112 ILE CA . 50998 1 493 . 1 . 1 112 112 ILE CB C 13 37.530 0.000 . . . . . . . 112 ILE CB . 50998 1 494 . 1 . 1 112 112 ILE N N 15 113.845 0.000 . . . . . . . 112 ILE N . 50998 1 495 . 1 . 1 113 113 LEU H H 1 7.807 0.000 . . . . . . . 113 LEU H . 50998 1 496 . 1 . 1 113 113 LEU C C 13 177.660 0.000 . . . . . . . 113 LEU C . 50998 1 497 . 1 . 1 113 113 LEU CA C 13 58.680 0.000 . . . . . . . 113 LEU CA . 50998 1 498 . 1 . 1 113 113 LEU CB C 13 40.923 0.000 . . . . . . . 113 LEU CB . 50998 1 499 . 1 . 1 113 113 LEU N N 15 120.065 0.000 . . . . . . . 113 LEU N . 50998 1 500 . 1 . 1 114 114 SER H H 1 8.439 0.000 . . . . . . . 114 SER H . 50998 1 501 . 1 . 1 114 114 SER C C 13 177.850 0.000 . . . . . . . 114 SER C . 50998 1 502 . 1 . 1 114 114 SER CA C 13 61.660 0.000 . . . . . . . 114 SER CA . 50998 1 503 . 1 . 1 114 114 SER CB C 13 62.570 0.000 . . . . . . . 114 SER CB . 50998 1 504 . 1 . 1 114 114 SER N N 15 110.864 0.000 . . . . . . . 114 SER N . 50998 1 505 . 1 . 1 115 115 LYS H H 1 7.198 0.000 . . . . . . . 115 LYS H . 50998 1 506 . 1 . 1 115 115 LYS C C 13 176.980 0.000 . . . . . . . 115 LYS C . 50998 1 507 . 1 . 1 115 115 LYS CA C 13 59.370 0.000 . . . . . . . 115 LYS CA . 50998 1 508 . 1 . 1 115 115 LYS CB C 13 32.579 0.000 . . . . . . . 115 LYS CB . 50998 1 509 . 1 . 1 115 115 LYS N N 15 120.424 0.000 . . . . . . . 115 LYS N . 50998 1 510 . 1 . 1 116 116 ALA H H 1 8.270 0.000 . . . . . . . 116 ALA H . 50998 1 511 . 1 . 1 116 116 ALA C C 13 178.670 0.000 . . . . . . . 116 ALA C . 50998 1 512 . 1 . 1 116 116 ALA CA C 13 55.800 0.000 . . . . . . . 116 ALA CA . 50998 1 513 . 1 . 1 116 116 ALA CB C 13 17.312 0.000 . . . . . . . 116 ALA CB . 50998 1 514 . 1 . 1 116 116 ALA N N 15 122.765 0.000 . . . . . . . 116 ALA N . 50998 1 515 . 1 . 1 117 117 VAL H H 1 8.224 0.000 . . . . . . . 117 VAL H . 50998 1 516 . 1 . 1 117 117 VAL C C 13 179.001 0.000 . . . . . . . 117 VAL C . 50998 1 517 . 1 . 1 117 117 VAL CA C 13 66.000 0.000 . . . . . . . 117 VAL CA . 50998 1 518 . 1 . 1 117 117 VAL CB C 13 31.983 0.000 . . . . . . . 117 VAL CB . 50998 1 519 . 1 . 1 117 117 VAL N N 15 116.658 0.000 . . . . . . . 117 VAL N . 50998 1 520 . 1 . 1 118 118 GLU H H 1 7.484 0.000 . . . . . . . 118 GLU H . 50998 1 521 . 1 . 1 118 118 GLU C C 13 178.860 0.000 . . . . . . . 118 GLU C . 50998 1 522 . 1 . 1 118 118 GLU CA C 13 59.290 0.000 . . . . . . . 118 GLU CA . 50998 1 523 . 1 . 1 118 118 GLU CB C 13 29.828 0.000 . . . . . . . 118 GLU CB . 50998 1 524 . 1 . 1 118 118 GLU N N 15 120.152 0.000 . . . . . . . 118 GLU N . 50998 1 525 . 1 . 1 119 119 ILE H H 1 8.908 0.000 . . . . . . . 119 ILE H . 50998 1 526 . 1 . 1 119 119 ILE C C 13 178.570 0.000 . . . . . . . 119 ILE C . 50998 1 527 . 1 . 1 119 119 ILE CA C 13 66.470 0.000 . . . . . . . 119 ILE CA . 50998 1 528 . 1 . 1 119 119 ILE CB C 13 37.576 0.000 . . . . . . . 119 ILE CB . 50998 1 529 . 1 . 1 119 119 ILE N N 15 119.921 0.000 . . . . . . . 119 ILE N . 50998 1 530 . 1 . 1 120 120 GLU H H 1 8.396 0.000 . . . . . . . 120 GLU H . 50998 1 531 . 1 . 1 120 120 GLU C C 13 177.880 0.000 . . . . . . . 120 GLU C . 50998 1 532 . 1 . 1 120 120 GLU CA C 13 60.713 0.000 . . . . . . . 120 GLU CA . 50998 1 533 . 1 . 1 120 120 GLU CB C 13 28.728 0.000 . . . . . . . 120 GLU CB . 50998 1 534 . 1 . 1 120 120 GLU N N 15 124.111 0.000 . . . . . . . 120 GLU N . 50998 1 535 . 1 . 1 121 121 GLU H H 1 7.716 0.000 . . . . . . . 121 GLU H . 50998 1 536 . 1 . 1 121 121 GLU C C 13 179.570 0.000 . . . . . . . 121 GLU C . 50998 1 537 . 1 . 1 121 121 GLU CA C 13 59.390 0.000 . . . . . . . 121 GLU CA . 50998 1 538 . 1 . 1 121 121 GLU CB C 13 29.461 0.000 . . . . . . . 121 GLU CB . 50998 1 539 . 1 . 1 121 121 GLU N N 15 117.822 0.000 . . . . . . . 121 GLU N . 50998 1 540 . 1 . 1 122 122 GLN H H 1 8.988 0.000 . . . . . . . 122 GLN H . 50998 1 541 . 1 . 1 122 122 GLN C C 13 179.100 0.000 . . . . . . . 122 GLN C . 50998 1 542 . 1 . 1 122 122 GLN CA C 13 58.030 0.000 . . . . . . . 122 GLN CA . 50998 1 543 . 1 . 1 122 122 GLN CB C 13 27.306 0.000 . . . . . . . 122 GLN CB . 50998 1 544 . 1 . 1 122 122 GLN N N 15 115.907 0.000 . . . . . . . 122 GLN N . 50998 1 545 . 1 . 1 123 123 THR H H 1 8.482 0.000 . . . . . . . 123 THR H . 50998 1 546 . 1 . 1 123 123 THR C C 13 175.487 0.000 . . . . . . . 123 THR C . 50998 1 547 . 1 . 1 123 123 THR CA C 13 61.600 0.000 . . . . . . . 123 THR CA . 50998 1 548 . 1 . 1 123 123 THR CB C 13 71.136 0.000 . . . . . . . 123 THR CB . 50998 1 549 . 1 . 1 123 123 THR N N 15 115.975 0.000 . . . . . . . 123 THR N . 50998 1 550 . 1 . 1 124 124 LYS H H 1 7.187 0.000 . . . . . . . 124 LYS H . 50998 1 551 . 1 . 1 124 124 LYS C C 13 179.690 0.000 . . . . . . . 124 LYS C . 50998 1 552 . 1 . 1 124 124 LYS CA C 13 60.365 0.000 . . . . . . . 124 LYS CA . 50998 1 553 . 1 . 1 124 124 LYS CB C 13 31.524 0.000 . . . . . . . 124 LYS CB . 50998 1 554 . 1 . 1 124 124 LYS N N 15 120.984 0.000 . . . . . . . 124 LYS N . 50998 1 555 . 1 . 1 125 125 ARG H H 1 7.669 0.000 . . . . . . . 125 ARG H . 50998 1 556 . 1 . 1 125 125 ARG C C 13 179.761 0.000 . . . . . . . 125 ARG C . 50998 1 557 . 1 . 1 125 125 ARG CA C 13 58.829 0.000 . . . . . . . 125 ARG CA . 50998 1 558 . 1 . 1 125 125 ARG CB C 13 29.900 0.000 . . . . . . . 125 ARG CB . 50998 1 559 . 1 . 1 125 125 ARG N N 15 118.839 0.000 . . . . . . . 125 ARG N . 50998 1 560 . 1 . 1 126 126 LEU H H 1 8.768 0.000 . . . . . . . 126 LEU H . 50998 1 561 . 1 . 1 126 126 LEU C C 13 178.200 0.000 . . . . . . . 126 LEU C . 50998 1 562 . 1 . 1 126 126 LEU CA C 13 57.860 0.000 . . . . . . . 126 LEU CA . 50998 1 563 . 1 . 1 126 126 LEU CB C 13 40.052 0.000 . . . . . . . 126 LEU CB . 50998 1 564 . 1 . 1 126 126 LEU N N 15 123.083 0.000 . . . . . . . 126 LEU N . 50998 1 565 . 1 . 1 127 127 LEU H H 1 8.466 0.000 . . . . . . . 127 LEU H . 50998 1 566 . 1 . 1 127 127 LEU C C 13 177.780 0.000 . . . . . . . 127 LEU C . 50998 1 567 . 1 . 1 127 127 LEU CA C 13 58.780 0.000 . . . . . . . 127 LEU CA . 50998 1 568 . 1 . 1 127 127 LEU CB C 13 40.464 0.000 . . . . . . . 127 LEU CB . 50998 1 569 . 1 . 1 127 127 LEU N N 15 121.015 0.000 . . . . . . . 127 LEU N . 50998 1 570 . 1 . 1 128 128 GLU H H 1 7.944 0.000 . . . . . . . 128 GLU H . 50998 1 571 . 1 . 1 128 128 GLU C C 13 179.980 0.000 . . . . . . . 128 GLU C . 50998 1 572 . 1 . 1 128 128 GLU CA C 13 59.560 0.000 . . . . . . . 128 GLU CA . 50998 1 573 . 1 . 1 128 128 GLU CB C 13 29.324 0.000 . . . . . . . 128 GLU CB . 50998 1 574 . 1 . 1 128 128 GLU N N 15 118.237 0.000 . . . . . . . 128 GLU N . 50998 1 575 . 1 . 1 129 129 GLY H H 1 7.977 0.000 . . . . . . . 129 GLY H . 50998 1 576 . 1 . 1 129 129 GLY C C 13 176.023 0.000 . . . . . . . 129 GLY C . 50998 1 577 . 1 . 1 129 129 GLY CA C 13 47.284 0.000 . . . . . . . 129 GLY CA . 50998 1 578 . 1 . 1 129 129 GLY N N 15 106.169 0.000 . . . . . . . 129 GLY N . 50998 1 579 . 1 . 1 130 130 MET H H 1 8.756 0.000 . . . . . . . 130 MET H . 50998 1 580 . 1 . 1 130 130 MET C C 13 179.090 0.000 . . . . . . . 130 MET C . 50998 1 581 . 1 . 1 130 130 MET CA C 13 55.660 0.000 . . . . . . . 130 MET CA . 50998 1 582 . 1 . 1 130 130 MET CB C 13 28.911 0.000 . . . . . . . 130 MET CB . 50998 1 583 . 1 . 1 130 130 MET N N 15 119.572 0.000 . . . . . . . 130 MET N . 50998 1 584 . 1 . 1 131 131 GLU H H 1 8.646 0.000 . . . . . . . 131 GLU H . 50998 1 585 . 1 . 1 131 131 GLU C C 13 180.100 0.000 . . . . . . . 131 GLU C . 50998 1 586 . 1 . 1 131 131 GLU CA C 13 60.190 0.000 . . . . . . . 131 GLU CA . 50998 1 587 . 1 . 1 131 131 GLU CB C 13 28.957 0.000 . . . . . . . 131 GLU CB . 50998 1 588 . 1 . 1 131 131 GLU N N 15 119.314 0.000 . . . . . . . 131 GLU N . 50998 1 589 . 1 . 1 132 132 LEU H H 1 7.598 0.000 . . . . . . . 132 LEU H . 50998 1 590 . 1 . 1 132 132 LEU C C 13 179.960 0.000 . . . . . . . 132 LEU C . 50998 1 591 . 1 . 1 132 132 LEU CA C 13 57.960 0.000 . . . . . . . 132 LEU CA . 50998 1 592 . 1 . 1 132 132 LEU CB C 13 41.427 0.000 . . . . . . . 132 LEU CB . 50998 1 593 . 1 . 1 132 132 LEU N N 15 120.575 0.000 . . . . . . . 132 LEU N . 50998 1 594 . 1 . 1 133 133 ILE H H 1 7.897 0.000 . . . . . . . 133 ILE H . 50998 1 595 . 1 . 1 133 133 ILE C C 13 178.123 0.000 . . . . . . . 133 ILE C . 50998 1 596 . 1 . 1 133 133 ILE CA C 13 66.680 0.000 . . . . . . . 133 ILE CA . 50998 1 597 . 1 . 1 133 133 ILE CB C 13 37.622 0.000 . . . . . . . 133 ILE CB . 50998 1 598 . 1 . 1 133 133 ILE N N 15 120.662 0.000 . . . . . . . 133 ILE N . 50998 1 599 . 1 . 1 134 134 VAL H H 1 8.698 0.000 . . . . . . . 134 VAL H . 50998 1 600 . 1 . 1 134 134 VAL C C 13 177.610 0.000 . . . . . . . 134 VAL C . 50998 1 601 . 1 . 1 134 134 VAL CA C 13 67.820 0.000 . . . . . . . 134 VAL CA . 50998 1 602 . 1 . 1 134 134 VAL CB C 13 31.590 0.000 . . . . . . . 134 VAL CB . 50998 1 603 . 1 . 1 134 134 VAL N N 15 119.233 0.000 . . . . . . . 134 VAL N . 50998 1 604 . 1 . 1 135 135 SER H H 1 7.775 0.000 . . . . . . . 135 SER H . 50998 1 605 . 1 . 1 135 135 SER C C 13 174.860 0.000 . . . . . . . 135 SER C . 50998 1 606 . 1 . 1 135 135 SER CA C 13 61.570 0.000 . . . . . . . 135 SER CA . 50998 1 607 . 1 . 1 135 135 SER CB C 13 63.204 0.000 . . . . . . . 135 SER CB . 50998 1 608 . 1 . 1 135 135 SER N N 15 112.272 0.000 . . . . . . . 135 SER N . 50998 1 609 . 1 . 1 136 136 GLN H H 1 7.425 0.000 . . . . . . . 136 GLN H . 50998 1 610 . 1 . 1 136 136 GLN C C 13 177.240 0.000 . . . . . . . 136 GLN C . 50998 1 611 . 1 . 1 136 136 GLN CA C 13 57.410 0.000 . . . . . . . 136 GLN CA . 50998 1 612 . 1 . 1 136 136 GLN CB C 13 29.461 0.000 . . . . . . . 136 GLN CB . 50998 1 613 . 1 . 1 136 136 GLN N N 15 116.782 0.000 . . . . . . . 136 GLN N . 50998 1 614 . 1 . 1 137 137 VAL H H 1 7.971 0.000 . . . . . . . 137 VAL H . 50998 1 615 . 1 . 1 137 137 VAL C C 13 175.470 0.000 . . . . . . . 137 VAL C . 50998 1 616 . 1 . 1 137 137 VAL CA C 13 63.930 0.000 . . . . . . . 137 VAL CA . 50998 1 617 . 1 . 1 137 137 VAL CB C 13 32.946 0.000 . . . . . . . 137 VAL CB . 50998 1 618 . 1 . 1 137 137 VAL N N 15 115.929 0.000 . . . . . . . 137 VAL N . 50998 1 619 . 1 . 1 138 138 HIS H H 1 8.548 0.000 . . . . . . . 138 HIS H . 50998 1 620 . 1 . 1 138 138 HIS C C 13 172.340 0.000 . . . . . . . 138 HIS C . 50998 1 621 . 1 . 1 138 138 HIS CA C 13 53.990 0.000 . . . . . . . 138 HIS CA . 50998 1 622 . 1 . 1 138 138 HIS CB C 13 30.332 0.000 . . . . . . . 138 HIS CB . 50998 1 623 . 1 . 1 138 138 HIS N N 15 117.666 0.000 . . . . . . . 138 HIS N . 50998 1 624 . 1 . 1 139 139 PRO CA C 13 64.490 0.000 . . . . . . . 139 PRO CA . 50998 1 625 . 1 . 1 139 139 PRO CB C 13 31.850 0.000 . . . . . . . 139 PRO CB . 50998 1 626 . 1 . 1 140 140 GLU H H 1 9.066 0.000 . . . . . . . 140 GLU H . 50998 1 627 . 1 . 1 140 140 GLU C C 13 176.605 0.000 . . . . . . . 140 GLU C . 50998 1 628 . 1 . 1 140 140 GLU CA C 13 57.152 0.000 . . . . . . . 140 GLU CA . 50998 1 629 . 1 . 1 140 140 GLU CB C 13 28.728 0.000 . . . . . . . 140 GLU CB . 50998 1 630 . 1 . 1 140 140 GLU N N 15 119.055 0.000 . . . . . . . 140 GLU N . 50998 1 631 . 1 . 1 141 141 THR H H 1 7.926 0.000 . . . . . . . 141 THR H . 50998 1 632 . 1 . 1 141 141 THR CA C 13 63.040 0.000 . . . . . . . 141 THR CA . 50998 1 633 . 1 . 1 141 141 THR CB C 13 69.623 0.000 . . . . . . . 141 THR CB . 50998 1 634 . 1 . 1 141 141 THR N N 15 116.662 0.000 . . . . . . . 141 THR N . 50998 1 635 . 1 . 1 142 142 LYS H H 1 8.252 0.000 . . . . . . . 142 LYS H . 50998 1 636 . 1 . 1 142 142 LYS C C 13 176.349 0.000 . . . . . . . 142 LYS C . 50998 1 637 . 1 . 1 142 142 LYS CA C 13 55.980 0.000 . . . . . . . 142 LYS CA . 50998 1 638 . 1 . 1 142 142 LYS CB C 13 32.716 0.000 . . . . . . . 142 LYS CB . 50998 1 639 . 1 . 1 142 142 LYS N N 15 124.839 0.000 . . . . . . . 142 LYS N . 50998 1 640 . 1 . 1 143 143 GLU H H 1 8.349 0.000 . . . . . . . 143 GLU H . 50998 1 641 . 1 . 1 143 143 GLU C C 13 176.093 0.000 . . . . . . . 143 GLU C . 50998 1 642 . 1 . 1 143 143 GLU CA C 13 56.680 0.000 . . . . . . . 143 GLU CA . 50998 1 643 . 1 . 1 143 143 GLU CB C 13 30.011 0.000 . . . . . . . 143 GLU CB . 50998 1 644 . 1 . 1 143 143 GLU N N 15 121.198 0.000 . . . . . . . 143 GLU N . 50998 1 645 . 1 . 1 144 144 ASN H H 1 8.329 0.000 . . . . . . . 144 ASN H . 50998 1 646 . 1 . 1 144 144 ASN C C 13 174.848 0.000 . . . . . . . 144 ASN C . 50998 1 647 . 1 . 1 144 144 ASN CA C 13 53.393 0.000 . . . . . . . 144 ASN CA . 50998 1 648 . 1 . 1 144 144 ASN CB C 13 38.840 0.000 . . . . . . . 144 ASN CB . 50998 1 649 . 1 . 1 144 144 ASN N N 15 119.071 0.000 . . . . . . . 144 ASN N . 50998 1 650 . 1 . 1 145 145 GLU H H 1 8.301 0.000 . . . . . . . 145 GLU H . 50998 1 651 . 1 . 1 145 145 GLU C C 13 176.020 0.000 . . . . . . . 145 GLU C . 50998 1 652 . 1 . 1 145 145 GLU CA C 13 56.520 0.000 . . . . . . . 145 GLU CA . 50998 1 653 . 1 . 1 145 145 GLU CB C 13 30.149 0.000 . . . . . . . 145 GLU CB . 50998 1 654 . 1 . 1 145 145 GLU N N 15 121.632 0.000 . . . . . . . 145 GLU N . 50998 1 655 . 1 . 1 146 146 ILE H H 1 7.982 0.000 . . . . . . . 146 ILE H . 50998 1 656 . 1 . 1 146 146 ILE C C 13 174.870 0.000 . . . . . . . 146 ILE C . 50998 1 657 . 1 . 1 146 146 ILE CA C 13 60.810 0.000 . . . . . . . 146 ILE CA . 50998 1 658 . 1 . 1 146 146 ILE CB C 13 38.355 0.000 . . . . . . . 146 ILE CB . 50998 1 659 . 1 . 1 146 146 ILE N N 15 121.376 0.000 . . . . . . . 146 ILE N . 50998 1 660 . 1 . 1 147 147 TYR H H 1 7.426 0.000 . . . . . . . 147 TYR H . 50998 1 661 . 1 . 1 147 147 TYR C C 13 172.790 0.000 . . . . . . . 147 TYR C . 50998 1 662 . 1 . 1 147 147 TYR CA C 13 54.791 0.000 . . . . . . . 147 TYR CA . 50998 1 663 . 1 . 1 147 147 TYR CB C 13 37.714 0.000 . . . . . . . 147 TYR CB . 50998 1 664 . 1 . 1 147 147 TYR N N 15 122.542 0.000 . . . . . . . 147 TYR N . 50998 1 665 . 1 . 1 148 148 PRO CA C 13 62.930 0.000 . . . . . . . 148 PRO CA . 50998 1 666 . 1 . 1 148 148 PRO CB C 13 32.110 0.000 . . . . . . . 148 PRO CB . 50998 1 667 . 1 . 1 149 149 VAL H H 1 8.143 0.000 . . . . . . . 149 VAL H . 50998 1 668 . 1 . 1 149 149 VAL C C 13 175.980 0.000 . . . . . . . 149 VAL C . 50998 1 669 . 1 . 1 149 149 VAL CA C 13 61.890 0.000 . . . . . . . 149 VAL CA . 50998 1 670 . 1 . 1 149 149 VAL CB C 13 32.991 0.000 . . . . . . . 149 VAL CB . 50998 1 671 . 1 . 1 149 149 VAL N N 15 122.004 0.000 . . . . . . . 149 VAL N . 50998 1 672 . 1 . 1 150 150 TRP H H 1 8.757 0.000 . . . . . . . 150 TRP H . 50998 1 673 . 1 . 1 150 150 TRP C C 13 175.910 0.000 . . . . . . . 150 TRP C . 50998 1 674 . 1 . 1 150 150 TRP CA C 13 57.210 0.000 . . . . . . . 150 TRP CA . 50998 1 675 . 1 . 1 150 150 TRP CB C 13 28.453 0.000 . . . . . . . 150 TRP CB . 50998 1 676 . 1 . 1 150 150 TRP N N 15 127.472 0.000 . . . . . . . 150 TRP N . 50998 1 677 . 1 . 1 151 151 SER CA C 13 57.450 0.000 . . . . . . . 151 SER CA . 50998 1 678 . 1 . 1 151 151 SER CB C 13 63.160 0.000 . . . . . . . 151 SER CB . 50998 1 679 . 1 . 1 153 153 LEU CA C 13 56.350 0.000 . . . . . . . 153 LEU CA . 50998 1 680 . 1 . 1 153 153 LEU CB C 13 41.780 0.000 . . . . . . . 153 LEU CB . 50998 1 681 . 1 . 1 155 155 SER H H 1 7.457 0.000 . . . . . . . 155 SER H . 50998 1 682 . 1 . 1 155 155 SER C C 13 175.019 0.000 . . . . . . . 155 SER C . 50998 1 683 . 1 . 1 155 155 SER CA C 13 60.774 0.000 . . . . . . . 155 SER CA . 50998 1 684 . 1 . 1 155 155 SER CB C 13 62.543 0.000 . . . . . . . 155 SER CB . 50998 1 685 . 1 . 1 155 155 SER N N 15 112.408 0.000 . . . . . . . 155 SER N . 50998 1 686 . 1 . 1 156 156 LEU H H 1 7.545 0.000 . . . . . . . 156 LEU H . 50998 1 687 . 1 . 1 156 156 LEU CA C 13 56.458 0.000 . . . . . . . 156 LEU CA . 50998 1 688 . 1 . 1 156 156 LEU CB C 13 41.042 0.000 . . . . . . . 156 LEU CB . 50998 1 689 . 1 . 1 156 156 LEU N N 15 119.093 0.000 . . . . . . . 156 LEU N . 50998 1 690 . 1 . 1 157 157 GLN H H 1 7.336 0.000 . . . . . . . 157 GLN H . 50998 1 691 . 1 . 1 157 157 GLN CA C 13 55.581 0.000 . . . . . . . 157 GLN CA . 50998 1 692 . 1 . 1 157 157 GLN N N 15 114.253 0.000 . . . . . . . 157 GLN N . 50998 1 693 . 1 . 1 158 158 MET H H 1 7.066 0.000 . . . . . . . 158 MET H . 50998 1 694 . 1 . 1 158 158 MET C C 13 175.675 0.000 . . . . . . . 158 MET C . 50998 1 695 . 1 . 1 158 158 MET CA C 13 56.030 0.000 . . . . . . . 158 MET CA . 50998 1 696 . 1 . 1 158 158 MET CB C 13 32.968 0.000 . . . . . . . 158 MET CB . 50998 1 697 . 1 . 1 158 158 MET N N 15 118.957 0.000 . . . . . . . 158 MET N . 50998 1 698 . 1 . 1 159 159 ALA H H 1 8.224 0.000 . . . . . . . 159 ALA H . 50998 1 699 . 1 . 1 159 159 ALA C C 13 178.089 0.000 . . . . . . . 159 ALA C . 50998 1 700 . 1 . 1 159 159 ALA CA C 13 53.683 0.000 . . . . . . . 159 ALA CA . 50998 1 701 . 1 . 1 159 159 ALA CB C 13 18.895 0.000 . . . . . . . 159 ALA CB . 50998 1 702 . 1 . 1 159 159 ALA N N 15 123.144 0.000 . . . . . . . 159 ALA N . 50998 1 703 . 1 . 1 160 160 ASP H H 1 7.815 0.000 . . . . . . . 160 ASP H . 50998 1 704 . 1 . 1 160 160 ASP C C 13 175.598 0.000 . . . . . . . 160 ASP C . 50998 1 705 . 1 . 1 160 160 ASP CA C 13 53.943 0.000 . . . . . . . 160 ASP CA . 50998 1 706 . 1 . 1 160 160 ASP CB C 13 42.198 0.000 . . . . . . . 160 ASP CB . 50998 1 707 . 1 . 1 160 160 ASP N N 15 117.077 0.000 . . . . . . . 160 ASP N . 50998 1 708 . 1 . 1 161 161 GLU H H 1 8.714 0.000 . . . . . . . 161 GLU H . 50998 1 709 . 1 . 1 161 161 GLU C C 13 177.740 0.000 . . . . . . . 161 GLU C . 50998 1 710 . 1 . 1 161 161 GLU CA C 13 60.458 0.000 . . . . . . . 161 GLU CA . 50998 1 711 . 1 . 1 161 161 GLU N N 15 125.993 0.000 . . . . . . . 161 GLU N . 50998 1 712 . 1 . 1 162 162 GLU H H 1 8.537 0.000 . . . . . . . 162 GLU H . 50998 1 713 . 1 . 1 162 162 GLU C C 13 179.400 0.000 . . . . . . . 162 GLU C . 50998 1 714 . 1 . 1 162 162 GLU CA C 13 60.370 0.000 . . . . . . . 162 GLU CA . 50998 1 715 . 1 . 1 162 162 GLU CB C 13 28.774 0.000 . . . . . . . 162 GLU CB . 50998 1 716 . 1 . 1 162 162 GLU N N 15 117.931 0.000 . . . . . . . 162 GLU N . 50998 1 717 . 1 . 1 163 163 SER H H 1 8.042 0.000 . . . . . . . 163 SER H . 50998 1 718 . 1 . 1 163 163 SER C C 13 176.940 0.000 . . . . . . . 163 SER C . 50998 1 719 . 1 . 1 163 163 SER CA C 13 62.013 0.000 . . . . . . . 163 SER CA . 50998 1 720 . 1 . 1 163 163 SER CB C 13 62.770 0.000 . . . . . . . 163 SER CB . 50998 1 721 . 1 . 1 163 163 SER N N 15 115.821 0.000 . . . . . . . 163 SER N . 50998 1 722 . 1 . 1 164 164 ARG H H 1 8.297 0.000 . . . . . . . 164 ARG H . 50998 1 723 . 1 . 1 164 164 ARG C C 13 178.328 0.000 . . . . . . . 164 ARG C . 50998 1 724 . 1 . 1 164 164 ARG CA C 13 59.944 0.000 . . . . . . . 164 ARG CA . 50998 1 725 . 1 . 1 164 164 ARG CB C 13 30.332 0.000 . . . . . . . 164 ARG CB . 50998 1 726 . 1 . 1 164 164 ARG N N 15 124.033 0.000 . . . . . . . 164 ARG N . 50998 1 727 . 1 . 1 165 165 LEU H H 1 8.752 0.000 . . . . . . . 165 LEU H . 50998 1 728 . 1 . 1 165 165 LEU C C 13 179.871 0.000 . . . . . . . 165 LEU C . 50998 1 729 . 1 . 1 165 165 LEU CA C 13 58.550 0.000 . . . . . . . 165 LEU CA . 50998 1 730 . 1 . 1 165 165 LEU CB C 13 41.290 0.000 . . . . . . . 165 LEU CB . 50998 1 731 . 1 . 1 165 165 LEU N N 15 117.519 0.000 . . . . . . . 165 LEU N . 50998 1 732 . 1 . 1 166 166 SER H H 1 7.994 0.000 . . . . . . . 166 SER H . 50998 1 733 . 1 . 1 166 166 SER C C 13 176.264 0.000 . . . . . . . 166 SER C . 50998 1 734 . 1 . 1 166 166 SER CA C 13 61.880 0.000 . . . . . . . 166 SER CA . 50998 1 735 . 1 . 1 166 166 SER CB C 13 62.720 0.000 . . . . . . . 166 SER CB . 50998 1 736 . 1 . 1 166 166 SER N N 15 113.482 0.000 . . . . . . . 166 SER N . 50998 1 737 . 1 . 1 167 167 ALA H H 1 7.853 0.000 . . . . . . . 167 ALA H . 50998 1 738 . 1 . 1 167 167 ALA C C 13 181.650 0.000 . . . . . . . 167 ALA C . 50998 1 739 . 1 . 1 167 167 ALA CA C 13 55.420 0.000 . . . . . . . 167 ALA CA . 50998 1 740 . 1 . 1 167 167 ALA CB C 13 18.229 0.000 . . . . . . . 167 ALA CB . 50998 1 741 . 1 . 1 167 167 ALA N N 15 124.871 0.000 . . . . . . . 167 ALA N . 50998 1 742 . 1 . 1 168 168 TYR H H 1 8.451 0.000 . . . . . . . 168 TYR H . 50998 1 743 . 1 . 1 168 168 TYR C C 13 177.200 0.000 . . . . . . . 168 TYR C . 50998 1 744 . 1 . 1 168 168 TYR CA C 13 62.975 0.000 . . . . . . . 168 TYR CA . 50998 1 745 . 1 . 1 168 168 TYR CB C 13 39.272 0.000 . . . . . . . 168 TYR CB . 50998 1 746 . 1 . 1 168 168 TYR N N 15 119.513 0.000 . . . . . . . 168 TYR N . 50998 1 747 . 1 . 1 169 169 TYR H H 1 8.707 0.000 . . . . . . . 169 TYR H . 50998 1 748 . 1 . 1 169 169 TYR C C 13 177.260 0.000 . . . . . . . 169 TYR C . 50998 1 749 . 1 . 1 169 169 TYR CA C 13 62.730 0.000 . . . . . . . 169 TYR CA . 50998 1 750 . 1 . 1 169 169 TYR CB C 13 38.814 0.000 . . . . . . . 169 TYR CB . 50998 1 751 . 1 . 1 169 169 TYR N N 15 119.881 0.000 . . . . . . . 169 TYR N . 50998 1 752 . 1 . 1 170 170 ASN H H 1 8.476 0.000 . . . . . . . 170 ASN H . 50998 1 753 . 1 . 1 170 170 ASN C C 13 177.310 0.000 . . . . . . . 170 ASN C . 50998 1 754 . 1 . 1 170 170 ASN CA C 13 57.080 0.000 . . . . . . . 170 ASN CA . 50998 1 755 . 1 . 1 170 170 ASN CB C 13 39.390 0.000 . . . . . . . 170 ASN CB . 50998 1 756 . 1 . 1 170 170 ASN N N 15 115.781 0.000 . . . . . . . 170 ASN N . 50998 1 757 . 1 . 1 171 171 LEU H H 1 8.065 0.000 . . . . . . . 171 LEU H . 50998 1 758 . 1 . 1 171 171 LEU C C 13 178.800 0.000 . . . . . . . 171 LEU C . 50998 1 759 . 1 . 1 171 171 LEU CA C 13 59.040 0.000 . . . . . . . 171 LEU CA . 50998 1 760 . 1 . 1 171 171 LEU CB C 13 42.252 0.000 . . . . . . . 171 LEU CB . 50998 1 761 . 1 . 1 171 171 LEU N N 15 121.568 0.000 . . . . . . . 171 LEU N . 50998 1 762 . 1 . 1 172 172 LEU H H 1 8.506 0.000 . . . . . . . 172 LEU H . 50998 1 763 . 1 . 1 172 172 LEU C C 13 179.940 0.000 . . . . . . . 172 LEU C . 50998 1 764 . 1 . 1 172 172 LEU CA C 13 57.930 0.000 . . . . . . . 172 LEU CA . 50998 1 765 . 1 . 1 172 172 LEU CB C 13 41.152 0.000 . . . . . . . 172 LEU CB . 50998 1 766 . 1 . 1 172 172 LEU N N 15 117.555 0.000 . . . . . . . 172 LEU N . 50998 1 767 . 1 . 1 173 173 HIS H H 1 8.909 0.000 . . . . . . . 173 HIS H . 50998 1 768 . 1 . 1 173 173 HIS C C 13 178.507 0.000 . . . . . . . 173 HIS C . 50998 1 769 . 1 . 1 173 173 HIS CA C 13 60.570 0.000 . . . . . . . 173 HIS CA . 50998 1 770 . 1 . 1 173 173 HIS CB C 13 30.510 0.000 . . . . . . . 173 HIS CB . 50998 1 771 . 1 . 1 173 173 HIS N N 15 122.699 0.000 . . . . . . . 173 HIS N . 50998 1 772 . 1 . 1 174 174 CYS H H 1 8.574 0.000 . . . . . . . 174 CYS H . 50998 1 773 . 1 . 1 174 174 CYS C C 13 175.840 0.000 . . . . . . . 174 CYS C . 50998 1 774 . 1 . 1 174 174 CYS CA C 13 59.430 0.000 . . . . . . . 174 CYS CA . 50998 1 775 . 1 . 1 174 174 CYS CB C 13 39.260 0.000 . . . . . . . 174 CYS CB . 50998 1 776 . 1 . 1 174 174 CYS N N 15 119.395 0.000 . . . . . . . 174 CYS N . 50998 1 777 . 1 . 1 175 175 LEU H H 1 8.651 0.000 . . . . . . . 175 LEU H . 50998 1 778 . 1 . 1 175 175 LEU C C 13 179.070 0.000 . . . . . . . 175 LEU C . 50998 1 779 . 1 . 1 175 175 LEU CA C 13 57.790 0.000 . . . . . . . 175 LEU CA . 50998 1 780 . 1 . 1 175 175 LEU CB C 13 40.143 0.000 . . . . . . . 175 LEU CB . 50998 1 781 . 1 . 1 175 175 LEU N N 15 123.624 0.000 . . . . . . . 175 LEU N . 50998 1 782 . 1 . 1 176 176 ARG H H 1 7.855 0.000 . . . . . . . 176 ARG H . 50998 1 783 . 1 . 1 176 176 ARG C C 13 177.620 0.000 . . . . . . . 176 ARG C . 50998 1 784 . 1 . 1 176 176 ARG CA C 13 59.575 0.000 . . . . . . . 176 ARG CA . 50998 1 785 . 1 . 1 176 176 ARG CB C 13 29.232 0.000 . . . . . . . 176 ARG CB . 50998 1 786 . 1 . 1 176 176 ARG N N 15 121.861 0.000 . . . . . . . 176 ARG N . 50998 1 787 . 1 . 1 177 177 ARG H H 1 7.775 0.000 . . . . . . . 177 ARG H . 50998 1 788 . 1 . 1 177 177 ARG C C 13 179.460 0.000 . . . . . . . 177 ARG C . 50998 1 789 . 1 . 1 177 177 ARG CA C 13 59.110 0.000 . . . . . . . 177 ARG CA . 50998 1 790 . 1 . 1 177 177 ARG CB C 13 29.920 0.000 . . . . . . . 177 ARG CB . 50998 1 791 . 1 . 1 177 177 ARG N N 15 119.127 0.000 . . . . . . . 177 ARG N . 50998 1 792 . 1 . 1 178 178 ASP H H 1 8.940 0.000 . . . . . . . 178 ASP H . 50998 1 793 . 1 . 1 178 178 ASP C C 13 178.570 0.000 . . . . . . . 178 ASP C . 50998 1 794 . 1 . 1 178 178 ASP CA C 13 57.590 0.000 . . . . . . . 178 ASP CA . 50998 1 795 . 1 . 1 178 178 ASP CB C 13 38.830 0.000 . . . . . . . 178 ASP CB . 50998 1 796 . 1 . 1 178 178 ASP N N 15 121.484 0.000 . . . . . . . 178 ASP N . 50998 1 797 . 1 . 1 179 179 SER H H 1 8.610 0.000 . . . . . . . 179 SER H . 50998 1 798 . 1 . 1 179 179 SER CA C 13 62.310 0.000 . . . . . . . 179 SER CA . 50998 1 799 . 1 . 1 179 179 SER N N 15 115.492 0.000 . . . . . . . 179 SER N . 50998 1 800 . 1 . 1 180 180 HIS H H 1 7.687 0.000 . . . . . . . 180 HIS H . 50998 1 801 . 1 . 1 180 180 HIS C C 13 176.792 0.000 . . . . . . . 180 HIS C . 50998 1 802 . 1 . 1 180 180 HIS CA C 13 59.065 0.000 . . . . . . . 180 HIS CA . 50998 1 803 . 1 . 1 180 180 HIS CB C 13 30.091 0.000 . . . . . . . 180 HIS CB . 50998 1 804 . 1 . 1 180 180 HIS N N 15 125.007 0.000 . . . . . . . 180 HIS N . 50998 1 805 . 1 . 1 181 181 LYS H H 1 7.666 0.000 . . . . . . . 181 LYS H . 50998 1 806 . 1 . 1 181 181 LYS C C 13 177.100 0.000 . . . . . . . 181 LYS C . 50998 1 807 . 1 . 1 181 181 LYS CA C 13 59.790 0.000 . . . . . . . 181 LYS CA . 50998 1 808 . 1 . 1 181 181 LYS CB C 13 31.651 0.000 . . . . . . . 181 LYS CB . 50998 1 809 . 1 . 1 181 181 LYS N N 15 118.598 0.000 . . . . . . . 181 LYS N . 50998 1 810 . 1 . 1 182 182 ILE H H 1 8.083 0.000 . . . . . . . 182 ILE H . 50998 1 811 . 1 . 1 182 182 ILE C C 13 176.740 0.000 . . . . . . . 182 ILE C . 50998 1 812 . 1 . 1 182 182 ILE CA C 13 65.149 0.000 . . . . . . . 182 ILE CA . 50998 1 813 . 1 . 1 182 182 ILE CB C 13 36.997 0.000 . . . . . . . 182 ILE CB . 50998 1 814 . 1 . 1 182 182 ILE N N 15 115.449 0.000 . . . . . . . 182 ILE N . 50998 1 815 . 1 . 1 183 183 ASP H H 1 7.322 0.000 . . . . . . . 183 ASP H . 50998 1 816 . 1 . 1 183 183 ASP C C 13 177.420 0.000 . . . . . . . 183 ASP C . 50998 1 817 . 1 . 1 183 183 ASP CA C 13 57.694 0.000 . . . . . . . 183 ASP CA . 50998 1 818 . 1 . 1 183 183 ASP CB C 13 42.350 0.000 . . . . . . . 183 ASP CB . 50998 1 819 . 1 . 1 183 183 ASP N N 15 118.171 0.000 . . . . . . . 183 ASP N . 50998 1 820 . 1 . 1 184 184 ASN H H 1 7.778 0.000 . . . . . . . 184 ASN H . 50998 1 821 . 1 . 1 184 184 ASN C C 13 178.840 0.000 . . . . . . . 184 ASN C . 50998 1 822 . 1 . 1 184 184 ASN CA C 13 56.350 0.000 . . . . . . . 184 ASN CA . 50998 1 823 . 1 . 1 184 184 ASN CB C 13 38.280 0.000 . . . . . . . 184 ASN CB . 50998 1 824 . 1 . 1 184 184 ASN N N 15 115.660 0.000 . . . . . . . 184 ASN N . 50998 1 825 . 1 . 1 185 185 TYR H H 1 9.035 0.000 . . . . . . . 185 TYR H . 50998 1 826 . 1 . 1 185 185 TYR C C 13 178.370 0.000 . . . . . . . 185 TYR C . 50998 1 827 . 1 . 1 185 185 TYR CA C 13 57.380 0.000 . . . . . . . 185 TYR CA . 50998 1 828 . 1 . 1 185 185 TYR CB C 13 36.934 0.000 . . . . . . . 185 TYR CB . 50998 1 829 . 1 . 1 185 185 TYR N N 15 119.392 0.000 . . . . . . . 185 TYR N . 50998 1 830 . 1 . 1 186 186 LEU H H 1 8.846 0.000 . . . . . . . 186 LEU H . 50998 1 831 . 1 . 1 186 186 LEU C C 13 179.078 0.000 . . . . . . . 186 LEU C . 50998 1 832 . 1 . 1 186 186 LEU CA C 13 58.460 0.000 . . . . . . . 186 LEU CA . 50998 1 833 . 1 . 1 186 186 LEU CB C 13 41.290 0.000 . . . . . . . 186 LEU CB . 50998 1 834 . 1 . 1 186 186 LEU N N 15 120.402 0.000 . . . . . . . 186 LEU N . 50998 1 835 . 1 . 1 187 187 LYS H H 1 7.828 0.000 . . . . . . . 187 LYS H . 50998 1 836 . 1 . 1 187 187 LYS C C 13 179.735 0.000 . . . . . . . 187 LYS C . 50998 1 837 . 1 . 1 187 187 LYS CA C 13 60.637 0.000 . . . . . . . 187 LYS CA . 50998 1 838 . 1 . 1 187 187 LYS CB C 13 31.891 0.000 . . . . . . . 187 LYS CB . 50998 1 839 . 1 . 1 187 187 LYS N N 15 118.750 0.000 . . . . . . . 187 LYS N . 50998 1 840 . 1 . 1 188 188 LEU H H 1 7.678 0.000 . . . . . . . 188 LEU H . 50998 1 841 . 1 . 1 188 188 LEU C C 13 179.750 0.000 . . . . . . . 188 LEU C . 50998 1 842 . 1 . 1 188 188 LEU CA C 13 58.020 0.000 . . . . . . . 188 LEU CA . 50998 1 843 . 1 . 1 188 188 LEU CB C 13 41.290 0.000 . . . . . . . 188 LEU CB . 50998 1 844 . 1 . 1 188 188 LEU N N 15 120.666 0.000 . . . . . . . 188 LEU N . 50998 1 845 . 1 . 1 189 189 LEU H H 1 8.626 0.000 . . . . . . . 189 LEU H . 50998 1 846 . 1 . 1 189 189 LEU C C 13 178.000 0.000 . . . . . . . 189 LEU C . 50998 1 847 . 1 . 1 189 189 LEU CA C 13 57.980 0.000 . . . . . . . 189 LEU CA . 50998 1 848 . 1 . 1 189 189 LEU CB C 13 41.656 0.000 . . . . . . . 189 LEU CB . 50998 1 849 . 1 . 1 189 189 LEU N N 15 120.550 0.000 . . . . . . . 189 LEU N . 50998 1 850 . 1 . 1 190 190 LYS H H 1 8.523 0.000 . . . . . . . 190 LYS H . 50998 1 851 . 1 . 1 190 190 LYS C C 13 178.100 0.000 . . . . . . . 190 LYS C . 50998 1 852 . 1 . 1 190 190 LYS CA C 13 60.190 0.000 . . . . . . . 190 LYS CA . 50998 1 853 . 1 . 1 190 190 LYS CB C 13 32.074 0.000 . . . . . . . 190 LYS CB . 50998 1 854 . 1 . 1 190 190 LYS N N 15 120.094 0.000 . . . . . . . 190 LYS N . 50998 1 855 . 1 . 1 191 191 CYS H H 1 7.648 0.000 . . . . . . . 191 CYS H . 50998 1 856 . 1 . 1 191 191 CYS C C 13 176.443 0.000 . . . . . . . 191 CYS C . 50998 1 857 . 1 . 1 191 191 CYS CA C 13 60.200 0.000 . . . . . . . 191 CYS CA . 50998 1 858 . 1 . 1 191 191 CYS CB C 13 41.611 0.000 . . . . . . . 191 CYS CB . 50998 1 859 . 1 . 1 191 191 CYS N N 15 116.290 0.000 . . . . . . . 191 CYS N . 50998 1 860 . 1 . 1 192 192 ARG H H 1 8.012 0.000 . . . . . . . 192 ARG H . 50998 1 861 . 1 . 1 192 192 ARG C C 13 177.841 0.000 . . . . . . . 192 ARG C . 50998 1 862 . 1 . 1 192 192 ARG CA C 13 59.600 0.000 . . . . . . . 192 ARG CA . 50998 1 863 . 1 . 1 192 192 ARG CB C 13 30.974 0.000 . . . . . . . 192 ARG CB . 50998 1 864 . 1 . 1 192 192 ARG N N 15 118.478 0.000 . . . . . . . 192 ARG N . 50998 1 865 . 1 . 1 193 193 ILE H H 1 8.227 0.000 . . . . . . . 193 ILE H . 50998 1 866 . 1 . 1 193 193 ILE C C 13 176.790 0.000 . . . . . . . 193 ILE C . 50998 1 867 . 1 . 1 193 193 ILE CA C 13 63.900 0.000 . . . . . . . 193 ILE CA . 50998 1 868 . 1 . 1 193 193 ILE CB C 13 37.897 0.000 . . . . . . . 193 ILE CB . 50998 1 869 . 1 . 1 193 193 ILE N N 15 116.182 0.000 . . . . . . . 193 ILE N . 50998 1 870 . 1 . 1 194 194 ILE H H 1 7.800 0.000 . . . . . . . 194 ILE H . 50998 1 871 . 1 . 1 194 194 ILE C C 13 176.827 0.000 . . . . . . . 194 ILE C . 50998 1 872 . 1 . 1 194 194 ILE CA C 13 60.360 0.000 . . . . . . . 194 ILE CA . 50998 1 873 . 1 . 1 194 194 ILE CB C 13 35.607 0.000 . . . . . . . 194 ILE CB . 50998 1 874 . 1 . 1 194 194 ILE N N 15 116.819 0.000 . . . . . . . 194 ILE N . 50998 1 875 . 1 . 1 195 195 HIS H H 1 7.088 0.000 . . . . . . . 195 HIS H . 50998 1 876 . 1 . 1 195 195 HIS C C 13 175.752 0.000 . . . . . . . 195 HIS C . 50998 1 877 . 1 . 1 195 195 HIS CA C 13 55.947 0.000 . . . . . . . 195 HIS CA . 50998 1 878 . 1 . 1 195 195 HIS CB C 13 29.920 0.000 . . . . . . . 195 HIS CB . 50998 1 879 . 1 . 1 195 195 HIS N N 15 115.297 0.000 . . . . . . . 195 HIS N . 50998 1 880 . 1 . 1 196 196 ASN H H 1 7.686 0.000 . . . . . . . 196 ASN H . 50998 1 881 . 1 . 1 196 196 ASN C C 13 174.225 0.000 . . . . . . . 196 ASN C . 50998 1 882 . 1 . 1 196 196 ASN CA C 13 54.440 0.000 . . . . . . . 196 ASN CA . 50998 1 883 . 1 . 1 196 196 ASN CB C 13 37.720 0.000 . . . . . . . 196 ASN CB . 50998 1 884 . 1 . 1 196 196 ASN N N 15 117.541 0.000 . . . . . . . 196 ASN N . 50998 1 885 . 1 . 1 197 197 ASN H H 1 8.360 0.000 . . . . . . . 197 ASN H . 50998 1 886 . 1 . 1 197 197 ASN CA C 13 54.408 0.000 . . . . . . . 197 ASN CA . 50998 1 887 . 1 . 1 197 197 ASN CB C 13 38.630 0.000 . . . . . . . 197 ASN CB . 50998 1 888 . 1 . 1 197 197 ASN N N 15 111.877 0.000 . . . . . . . 197 ASN N . 50998 1 889 . 1 . 1 198 198 ASN H H 1 7.961 0.000 . . . . . . . 198 ASN H . 50998 1 890 . 1 . 1 198 198 ASN C C 13 173.850 0.000 . . . . . . . 198 ASN C . 50998 1 891 . 1 . 1 198 198 ASN CA C 13 53.218 0.000 . . . . . . . 198 ASN CA . 50998 1 892 . 1 . 1 198 198 ASN CB C 13 38.130 0.000 . . . . . . . 198 ASN CB . 50998 1 893 . 1 . 1 198 198 ASN N N 15 118.754 0.000 . . . . . . . 198 ASN N . 50998 1 894 . 1 . 1 199 199 CYS H H 1 7.725 0.000 . . . . . . . 199 CYS H . 50998 1 895 . 1 . 1 199 199 CYS C C 13 178.440 0.000 . . . . . . . 199 CYS C . 50998 1 896 . 1 . 1 199 199 CYS CA C 13 56.831 0.000 . . . . . . . 199 CYS CA . 50998 1 897 . 1 . 1 199 199 CYS CB C 13 44.820 0.000 . . . . . . . 199 CYS CB . 50998 1 898 . 1 . 1 199 199 CYS N N 15 122.737 0.000 . . . . . . . 199 CYS N . 50998 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50998 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'HN-N pH 5.5' _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '2D 1H-15N HSQC' . . . 50998 2 6 '2D 1H-15N HSQC' . . . 50998 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50998 2 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 3 3 ILE H H 1 8.084 . . . . . . . . 3 I HN . 50998 2 2 . 1 . 1 3 3 ILE N N 15 119.880 . . . . . . . . 3 I N . 50998 2 3 . 1 . 1 4 4 CYS H H 1 8.268 . . . . . . . . 4 C HN . 50998 2 4 . 1 . 1 4 4 CYS N N 15 120.841 . . . . . . . . 4 C N . 50998 2 5 . 1 . 1 7 7 GLY H H 1 8.139 . . . . . . . . 7 G HN . 50998 2 6 . 1 . 1 7 7 GLY N N 15 108.447 . . . . . . . . 7 G N . 50998 2 7 . 1 . 1 8 8 ALA H H 1 7.704 . . . . . . . . 8 A HN . 50998 2 8 . 1 . 1 8 8 ALA N N 15 122.551 . . . . . . . . 8 A N . 50998 2 9 . 1 . 1 9 9 ALA H H 1 8.232 . . . . . . . . 9 A HN . 50998 2 10 . 1 . 1 9 9 ALA N N 15 121.215 . . . . . . . . 9 A N . 50998 2 11 . 1 . 1 10 10 ARG H H 1 7.833 . . . . . . . . 10 R HN . 50998 2 12 . 1 . 1 10 10 ARG N N 15 115.552 . . . . . . . . 10 R N . 50998 2 13 . 1 . 1 11 11 CYS H H 1 8.040 . . . . . . . . 11 C HN . 50998 2 14 . 1 . 1 11 11 CYS N N 15 117.476 . . . . . . . . 11 C N . 50998 2 15 . 1 . 1 13 13 VAL H H 1 7.785 . . . . . . . . 13 V HN . 50998 2 16 . 1 . 1 13 13 VAL N N 15 120.628 . . . . . . . . 13 V N . 50998 2 17 . 1 . 1 14 14 THR H H 1 8.420 . . . . . . . . 14 T HN . 50998 2 18 . 1 . 1 14 14 THR N N 15 115.980 . . . . . . . . 14 T N . 50998 2 19 . 1 . 1 15 15 LEU H H 1 8.527 . . . . . . . . 15 L HN . 50998 2 20 . 1 . 1 15 15 LEU N N 15 121.910 . . . . . . . . 15 L N . 50998 2 21 . 1 . 1 16 16 ARG H H 1 8.261 . . . . . . . . 16 R HN . 50998 2 22 . 1 . 1 16 16 ARG N N 15 117.529 . . . . . . . . 16 R N . 50998 2 23 . 1 . 1 17 17 ASP H H 1 7.571 . . . . . . . . 17 D HN . 50998 2 24 . 1 . 1 17 17 ASP N N 15 118.651 . . . . . . . . 17 D N . 50998 2 25 . 1 . 1 19 19 PHE H H 1 8.557 . . . . . . . . 19 F HN . 50998 2 26 . 1 . 1 19 19 PHE N N 15 118.865 . . . . . . . . 19 F N . 50998 2 27 . 1 . 1 22 22 ALA H H 1 7.984 . . . . . . . . 22 A HN . 50998 2 28 . 1 . 1 22 22 ALA N N 15 121.696 . . . . . . . . 22 A N . 50998 2 29 . 1 . 1 25 25 LEU H H 1 7.884 . . . . . . . . 25 L HN . 50998 2 30 . 1 . 1 25 25 LEU N N 15 120.147 . . . . . . . . 25 L N . 50998 2 31 . 1 . 1 26 26 SER H H 1 9.147 . . . . . . . . 26 S HN . 50998 2 32 . 1 . 1 26 26 SER N N 15 114.805 . . . . . . . . 26 S N . 50998 2 33 . 1 . 1 27 27 HIS H H 1 8.121 . . . . . . . . 27 H HN . 50998 2 34 . 1 . 1 27 27 HIS N N 15 123.032 . . . . . . . . 27 H N . 50998 2 35 . 1 . 1 28 28 TYR H H 1 7.995 . . . . . . . . 28 Y HN . 50998 2 36 . 1 . 1 28 28 TYR N N 15 120.788 . . . . . . . . 28 Y N . 50998 2 37 . 1 . 1 30 30 HIS H H 1 8.268 . . . . . . . . 30 H HN . 50998 2 38 . 1 . 1 30 30 HIS N N 15 120.093 . . . . . . . . 30 H N . 50998 2 39 . 1 . 1 31 31 ASN H H 1 8.143 . . . . . . . . 31 N HN . 50998 2 40 . 1 . 1 31 31 ASN N N 15 120.841 . . . . . . . . 31 N N . 50998 2 41 . 1 . 1 32 32 LEU H H 1 8.553 . . . . . . . . 32 L HN . 50998 2 42 . 1 . 1 32 32 LEU N N 15 120.307 . . . . . . . . 32 L N . 50998 2 43 . 1 . 1 33 33 SER H H 1 8.534 . . . . . . . . 33 S HN . 50998 2 44 . 1 . 1 33 33 SER N N 15 115.178 . . . . . . . . 33 S N . 50998 2 45 . 1 . 1 34 34 SER H H 1 7.936 . . . . . . . . 34 S HN . 50998 2 46 . 1 . 1 34 34 SER N N 15 120.360 . . . . . . . . 34 S N . 50998 2 47 . 1 . 1 37 37 PHE H H 1 7.940 . . . . . . . . 37 F HN . 50998 2 48 . 1 . 1 37 37 PHE N N 15 117.315 . . . . . . . . 37 F N . 50998 2 49 . 1 . 1 38 38 SER H H 1 8.172 . . . . . . . . 38 S HN . 50998 2 50 . 1 . 1 38 38 SER N N 15 113.789 . . . . . . . . 38 S N . 50998 2 51 . 1 . 1 41 41 ASP H H 1 8.612 . . . . . . . . 41 D HN . 50998 2 52 . 1 . 1 41 41 ASP N N 15 119.399 . . . . . . . . 41 D N . 50998 2 53 . 1 . 1 42 42 LYS H H 1 8.003 . . . . . . . . 42 K HN . 50998 2 54 . 1 . 1 42 42 LYS N N 15 116.781 . . . . . . . . 42 K N . 50998 2 55 . 1 . 1 43 43 ARG H H 1 7.294 . . . . . . . . 43 R HN . 50998 2 56 . 1 . 1 43 43 ARG N N 15 115.552 . . . . . . . . 43 R N . 50998 2 57 . 1 . 1 44 44 TYR H H 1 8.014 . . . . . . . . 44 Y HN . 50998 2 58 . 1 . 1 44 44 TYR N N 15 114.110 . . . . . . . . 44 Y N . 50998 2 59 . 1 . 1 45 45 THR H H 1 7.530 . . . . . . . . 45 T HN . 50998 2 60 . 1 . 1 45 45 THR N N 15 108.287 . . . . . . . . 45 T N . 50998 2 61 . 1 . 1 51 51 ILE H H 1 7.582 . . . . . . . . 51 I HN . 50998 2 62 . 1 . 1 51 51 ILE N N 15 120.734 . . . . . . . . 51 I N . 50998 2 63 . 1 . 1 52 52 THR H H 1 7.752 . . . . . . . . 52 T HN . 50998 2 64 . 1 . 1 52 52 THR N N 15 115.072 . . . . . . . . 52 T N . 50998 2 65 . 1 . 1 53 53 LYS H H 1 7.811 . . . . . . . . 53 K HN . 50998 2 66 . 1 . 1 53 53 LYS N N 15 121.269 . . . . . . . . 53 K N . 50998 2 67 . 1 . 1 55 55 ILE H H 1 7.855 . . . . . . . . 55 I HN . 50998 2 68 . 1 . 1 55 55 ILE N N 15 118.544 . . . . . . . . 55 I N . 50998 2 69 . 1 . 1 57 57 SER H H 1 8.095 . . . . . . . . 57 S HN . 50998 2 70 . 1 . 1 57 57 SER N N 15 115.125 . . . . . . . . 57 S N . 50998 2 71 . 1 . 1 61 61 SER H H 1 7.825 . . . . . . . . 61 S HN . 50998 2 72 . 1 . 1 61 61 SER N N 15 117.743 . . . . . . . . 61 S N . 50998 2 73 . 1 . 1 63 63 LEU H H 1 7.526 . . . . . . . . 63 L HN . 50998 2 74 . 1 . 1 63 63 LEU N N 15 122.444 . . . . . . . . 63 L N . 50998 2 75 . 1 . 1 64 64 ALA H H 1 8.176 . . . . . . . . 64 A HN . 50998 2 76 . 1 . 1 64 64 ALA N N 15 125.382 . . . . . . . . 64 A N . 50998 2 77 . 1 . 1 67 67 GLU H H 1 8.656 . . . . . . . . 67 E HN . 50998 2 78 . 1 . 1 67 67 GLU N N 15 122.444 . . . . . . . . 67 E N . 50998 2 79 . 1 . 1 68 68 ASP H H 1 7.776 . . . . . . . . 68 D HN . 50998 2 80 . 1 . 1 68 68 ASP N N 15 117.689 . . . . . . . . 68 D N . 50998 2 81 . 1 . 1 70 70 GLU H H 1 8.291 . . . . . . . . 70 E HN . 50998 2 82 . 1 . 1 70 70 GLU N N 15 120.147 . . . . . . . . 70 E N . 50998 2 83 . 1 . 1 71 71 GLN H H 1 8.339 . . . . . . . . 71 Q HN . 50998 2 84 . 1 . 1 71 71 GLN N N 15 118.491 . . . . . . . . 71 Q N . 50998 2 85 . 1 . 1 73 73 GLN H H 1 7.999 . . . . . . . . 73 Q HN . 50998 2 86 . 1 . 1 73 73 GLN N N 15 115.659 . . . . . . . . 73 Q N . 50998 2 87 . 1 . 1 74 74 GLN H H 1 7.511 . . . . . . . . 74 Q HN . 50998 2 88 . 1 . 1 74 74 GLN N N 15 115.766 . . . . . . . . 74 Q N . 50998 2 89 . 1 . 1 75 75 MET H H 1 7.449 . . . . . . . . 75 M HN . 50998 2 90 . 1 . 1 75 75 MET N N 15 119.719 . . . . . . . . 75 M N . 50998 2 91 . 1 . 1 76 76 ASN H H 1 8.789 . . . . . . . . 76 N HN . 50998 2 92 . 1 . 1 76 76 ASN N N 15 122.070 . . . . . . . . 76 N N . 50998 2 93 . 1 . 1 79 79 ASP H H 1 7.969 . . . . . . . . 79 D HN . 50998 2 94 . 1 . 1 79 79 ASP N N 15 119.880 . . . . . . . . 79 D N . 50998 2 95 . 1 . 1 81 81 LEU H H 1 8.246 . . . . . . . . 81 L HN . 50998 2 96 . 1 . 1 81 81 LEU N N 15 118.010 . . . . . . . . 81 L N . 50998 2 97 . 1 . 1 86 86 SER H H 1 8.353 . . . . . . . . 86 S HN . 50998 2 98 . 1 . 1 86 86 SER N N 15 115.392 . . . . . . . . 86 S N . 50998 2 99 . 1 . 1 88 88 LEU H H 1 8.132 . . . . . . . . 88 L HN . 50998 2 100 . 1 . 1 88 88 LEU N N 15 118.811 . . . . . . . . 88 L N . 50998 2 101 . 1 . 1 89 89 ARG H H 1 8.900 . . . . . . . . 89 R HN . 50998 2 102 . 1 . 1 89 89 ARG N N 15 117.583 . . . . . . . . 89 R N . 50998 2 103 . 1 . 1 90 90 SER H H 1 7.844 . . . . . . . . 90 S HN . 50998 2 104 . 1 . 1 90 90 SER N N 15 114.217 . . . . . . . . 90 S N . 50998 2 105 . 1 . 1 91 91 TRP H H 1 7.637 . . . . . . . . 91 W HN . 50998 2 106 . 1 . 1 91 91 TRP N N 15 120.841 . . . . . . . . 91 W N . 50998 2 107 . 1 . 1 92 92 ASN H H 1 7.294 . . . . . . . . 92 N HN . 50998 2 108 . 1 . 1 92 92 ASN N N 15 119.239 . . . . . . . . 92 N N . 50998 2 109 . 1 . 1 93 93 GLU H H 1 9.136 . . . . . . . . 93 E HN . 50998 2 110 . 1 . 1 93 93 GLU N N 15 118.758 . . . . . . . . 93 E N . 50998 2 111 . 1 . 1 95 95 LEU H H 1 7.855 . . . . . . . . 95 L HN . 50998 2 112 . 1 . 1 95 95 LEU N N 15 113.789 . . . . . . . . 95 L N . 50998 2 113 . 1 . 1 96 96 TYR H H 1 7.833 . . . . . . . . 96 Y HN . 50998 2 114 . 1 . 1 96 96 TYR N N 15 119.506 . . . . . . . . 96 Y N . 50998 2 115 . 1 . 1 97 97 HIS H H 1 8.161 . . . . . . . . 97 H HN . 50998 2 116 . 1 . 1 97 97 HIS N N 15 117.262 . . . . . . . . 97 H N . 50998 2 117 . 1 . 1 98 98 LEU H H 1 8.715 . . . . . . . . 98 L HN . 50998 2 118 . 1 . 1 98 98 LEU N N 15 121.856 . . . . . . . . 98 L N . 50998 2 119 . 1 . 1 101 101 GLU H H 1 8.616 . . . . . . . . 101 E HN . 50998 2 120 . 1 . 1 101 101 GLU N N 15 120.681 . . . . . . . . 101 E N . 50998 2 121 . 1 . 1 103 103 ARG H H 1 8.076 . . . . . . . . 103 R HN . 50998 2 122 . 1 . 1 103 103 ARG N N 15 118.491 . . . . . . . . 103 R N . 50998 2 123 . 1 . 1 104 104 GLY H H 1 7.404 . . . . . . . . 104 G HN . 50998 2 124 . 1 . 1 104 104 GLY N N 15 103.372 . . . . . . . . 104 G N . 50998 2 125 . 1 . 1 106 106 GLN H H 1 8.553 . . . . . . . . 106 Q HN . 50998 2 126 . 1 . 1 106 106 GLN N N 15 122.818 . . . . . . . . 106 Q N . 50998 2 127 . 1 . 1 107 107 GLU H H 1 8.608 . . . . . . . . 107 E HN . 50998 2 128 . 1 . 1 107 107 GLU N N 15 118.651 . . . . . . . . 107 E N . 50998 2 129 . 1 . 1 108 108 ALA H H 1 7.770 . . . . . . . . 108 A HN . 50998 2 130 . 1 . 1 108 108 ALA N N 15 123.940 . . . . . . . . 108 A N . 50998 2 131 . 1 . 1 112 112 ILE H H 1 7.231 . . . . . . . . 112 I HN . 50998 2 132 . 1 . 1 112 112 ILE N N 15 113.843 . . . . . . . . 112 I N . 50998 2 133 . 1 . 1 113 113 LEU H H 1 7.792 . . . . . . . . 113 L HN . 50998 2 134 . 1 . 1 113 113 LEU N N 15 120.200 . . . . . . . . 113 L N . 50998 2 135 . 1 . 1 114 114 SER H H 1 8.435 . . . . . . . . 114 S HN . 50998 2 136 . 1 . 1 114 114 SER N N 15 111.065 . . . . . . . . 114 S N . 50998 2 137 . 1 . 1 115 115 LYS H H 1 7.205 . . . . . . . . 115 K HN . 50998 2 138 . 1 . 1 115 115 LYS N N 15 120.521 . . . . . . . . 115 K N . 50998 2 139 . 1 . 1 116 116 ALA H H 1 8.265 . . . . . . . . 116 A HN . 50998 2 140 . 1 . 1 116 116 ALA N N 15 122.818 . . . . . . . . 116 A N . 50998 2 141 . 1 . 1 117 117 VAL H H 1 8.161 . . . . . . . . 117 V HN . 50998 2 142 . 1 . 1 117 117 VAL N N 15 117.149 . . . . . . . . 117 V N . 50998 2 143 . 1 . 1 118 118 GLU H H 1 7.530 . . . . . . . . 118 E HN . 50998 2 144 . 1 . 1 118 118 GLU N N 15 120.040 . . . . . . . . 118 E N . 50998 2 145 . 1 . 1 119 119 ILE H H 1 8.889 . . . . . . . . 119 I HN . 50998 2 146 . 1 . 1 119 119 ILE N N 15 119.666 . . . . . . . . 119 I N . 50998 2 147 . 1 . 1 120 120 GLU H H 1 8.342 . . . . . . . . 120 E HN . 50998 2 148 . 1 . 1 120 120 GLU N N 15 123.726 . . . . . . . . 120 E N . 50998 2 149 . 1 . 1 122 122 GLN H H 1 8.966 . . . . . . . . 122 Q HN . 50998 2 150 . 1 . 1 122 122 GLN N N 15 116.247 . . . . . . . . 122 Q N . 50998 2 151 . 1 . 1 123 123 THR H H 1 8.464 . . . . . . . . 123 T HN . 50998 2 152 . 1 . 1 123 123 THR N N 15 116.087 . . . . . . . . 123 T N . 50998 2 153 . 1 . 1 124 124 LYS H H 1 7.198 . . . . . . . . 124 K HN . 50998 2 154 . 1 . 1 124 124 LYS N N 15 121.162 . . . . . . . . 124 K N . 50998 2 155 . 1 . 1 126 126 LEU H H 1 8.749 . . . . . . . . 126 L HN . 50998 2 156 . 1 . 1 126 126 LEU N N 15 123.085 . . . . . . . . 126 L N . 50998 2 157 . 1 . 1 127 127 LEU H H 1 8.494 . . . . . . . . 127 L HN . 50998 2 158 . 1 . 1 127 127 LEU N N 15 121.108 . . . . . . . . 127 L N . 50998 2 159 . 1 . 1 128 128 GLU H H 1 7.977 . . . . . . . . 128 E HN . 50998 2 160 . 1 . 1 128 128 GLU N N 15 118.224 . . . . . . . . 128 E N . 50998 2 161 . 1 . 1 129 129 GLY H H 1 7.995 . . . . . . . . 129 G HN . 50998 2 162 . 1 . 1 129 129 GLY N N 15 106.364 . . . . . . . . 129 G N . 50998 2 163 . 1 . 1 130 130 MET H H 1 8.760 . . . . . . . . 130 M HN . 50998 2 164 . 1 . 1 130 130 MET N N 15 119.506 . . . . . . . . 130 M N . 50998 2 165 . 1 . 1 132 132 LEU H H 1 7.604 . . . . . . . . 132 L HN . 50998 2 166 . 1 . 1 132 132 LEU N N 15 120.681 . . . . . . . . 132 L N . 50998 2 167 . 1 . 1 135 135 SER H H 1 7.766 . . . . . . . . 135 S HN . 50998 2 168 . 1 . 1 135 135 SER N N 15 112.614 . . . . . . . . 135 S N . 50998 2 169 . 1 . 1 136 136 GLN H H 1 7.423 . . . . . . . . 136 Q HN . 50998 2 170 . 1 . 1 136 136 GLN N N 15 116.941 . . . . . . . . 136 Q N . 50998 2 171 . 1 . 1 137 137 VAL H H 1 7.947 . . . . . . . . 137 V HN . 50998 2 172 . 1 . 1 137 137 VAL N N 15 116.087 . . . . . . . . 137 V N . 50998 2 173 . 1 . 1 138 138 HIS H H 1 8.538 . . . . . . . . 138 H HN . 50998 2 174 . 1 . 1 138 138 HIS N N 15 117.048 . . . . . . . . 138 H N . 50998 2 175 . 1 . 1 140 140 GLU H H 1 9.011 . . . . . . . . 140 E HN . 50998 2 176 . 1 . 1 140 140 GLU N N 15 119.185 . . . . . . . . 140 E N . 50998 2 177 . 1 . 1 141 141 THR H H 1 7.873 . . . . . . . . 141 T HN . 50998 2 178 . 1 . 1 141 141 THR N N 15 116.087 . . . . . . . . 141 T N . 50998 2 179 . 1 . 1 142 142 LYS H H 1 8.276 . . . . . . . . 142 K HN . 50998 2 180 . 1 . 1 142 142 LYS N N 15 124.581 . . . . . . . . 142 K N . 50998 2 181 . 1 . 1 143 143 GLU H H 1 8.383 . . . . . . . . 143 E HN . 50998 2 182 . 1 . 1 143 143 GLU N N 15 121.589 . . . . . . . . 143 E N . 50998 2 183 . 1 . 1 144 144 ASN H H 1 8.339 . . . . . . . . 144 N HN . 50998 2 184 . 1 . 1 144 144 ASN N N 15 119.452 . . . . . . . . 144 N N . 50998 2 185 . 1 . 1 149 149 VAL H H 1 8.121 . . . . . . . . 149 V HN . 50998 2 186 . 1 . 1 149 149 VAL N N 15 121.643 . . . . . . . . 149 V N . 50998 2 187 . 1 . 1 150 150 TRP H H 1 8.605 . . . . . . . . 150 W HN . 50998 2 188 . 1 . 1 150 150 TRP N N 15 126.771 . . . . . . . . 150 W N . 50998 2 189 . 1 . 1 153 153 LEU H H 1 7.641 . . . . . . . . 153 L HN . 50998 2 190 . 1 . 1 153 153 LEU N N 15 117.743 . . . . . . . . 153 L N . 50998 2 191 . 1 . 1 159 159 ALA H H 1 8.143 . . . . . . . . 159 A HN . 50998 2 192 . 1 . 1 159 159 ALA N N 15 123.032 . . . . . . . . 159 A N . 50998 2 193 . 1 . 1 161 161 GLU H H 1 8.682 . . . . . . . . 161 E HN . 50998 2 194 . 1 . 1 161 161 GLU N N 15 125.169 . . . . . . . . 161 E N . 50998 2 195 . 1 . 1 162 162 GLU H H 1 8.494 . . . . . . . . 162 E HN . 50998 2 196 . 1 . 1 162 162 GLU N N 15 118.010 . . . . . . . . 162 E N . 50998 2 197 . 1 . 1 163 163 SER H H 1 8.069 . . . . . . . . 163 S HN . 50998 2 198 . 1 . 1 163 163 SER N N 15 115.926 . . . . . . . . 163 S N . 50998 2 199 . 1 . 1 164 164 ARG H H 1 8.220 . . . . . . . . 164 R HN . 50998 2 200 . 1 . 1 164 164 ARG N N 15 123.726 . . . . . . . . 164 R N . 50998 2 201 . 1 . 1 166 166 SER H H 1 7.980 . . . . . . . . 166 S HN . 50998 2 202 . 1 . 1 166 166 SER N N 15 113.416 . . . . . . . . 166 S N . 50998 2 203 . 1 . 1 167 167 ALA H H 1 7.814 . . . . . . . . 167 A HN . 50998 2 204 . 1 . 1 167 167 ALA N N 15 124.741 . . . . . . . . 167 A N . 50998 2 205 . 1 . 1 169 169 TYR H H 1 8.656 . . . . . . . . 169 Y HN . 50998 2 206 . 1 . 1 169 169 TYR N N 15 119.987 . . . . . . . . 169 Y N . 50998 2 207 . 1 . 1 171 171 LEU H H 1 8.065 . . . . . . . . 171 L HN . 50998 2 208 . 1 . 1 171 171 LEU N N 15 121.322 . . . . . . . . 171 L N . 50998 2 209 . 1 . 1 172 172 LEU H H 1 8.457 . . . . . . . . 172 L HN . 50998 2 210 . 1 . 1 172 172 LEU N N 15 117.636 . . . . . . . . 172 L N . 50998 2 211 . 1 . 1 173 173 HIS H H 1 8.845 . . . . . . . . 173 H HN . 50998 2 212 . 1 . 1 173 173 HIS N N 15 122.230 . . . . . . . . 173 H N . 50998 2 213 . 1 . 1 174 174 CYS H H 1 8.560 . . . . . . . . 174 C HN . 50998 2 214 . 1 . 1 174 174 CYS N N 15 119.506 . . . . . . . . 174 C N . 50998 2 215 . 1 . 1 175 175 LEU H H 1 8.653 . . . . . . . . 175 L HN . 50998 2 216 . 1 . 1 175 175 LEU N N 15 123.619 . . . . . . . . 175 L N . 50998 2 217 . 1 . 1 176 176 ARG H H 1 7.851 . . . . . . . . 176 R HN . 50998 2 218 . 1 . 1 176 176 ARG N N 15 121.536 . . . . . . . . 176 R N . 50998 2 219 . 1 . 1 178 178 ASP H H 1 8.944 . . . . . . . . 178 D HN . 50998 2 220 . 1 . 1 178 178 ASP N N 15 121.589 . . . . . . . . 178 D N . 50998 2 221 . 1 . 1 179 179 SER H H 1 8.612 . . . . . . . . 179 S HN . 50998 2 222 . 1 . 1 179 179 SER N N 15 115.232 . . . . . . . . 179 S N . 50998 2 223 . 1 . 1 180 180 HIS H H 1 7.678 . . . . . . . . 180 H HN . 50998 2 224 . 1 . 1 180 180 HIS N N 15 123.940 . . . . . . . . 180 H N . 50998 2 225 . 1 . 1 181 181 LYS H H 1 7.722 . . . . . . . . 181 K HN . 50998 2 226 . 1 . 1 181 181 LYS N N 15 118.704 . . . . . . . . 181 K N . 50998 2 227 . 1 . 1 182 182 ILE H H 1 8.051 . . . . . . . . 182 I HN . 50998 2 228 . 1 . 1 182 182 ILE N N 15 115.606 . . . . . . . . 182 I N . 50998 2 229 . 1 . 1 183 183 ASP H H 1 7.353 . . . . . . . . 183 D HN . 50998 2 230 . 1 . 1 183 183 ASP N N 15 118.384 . . . . . . . . 183 D N . 50998 2 231 . 1 . 1 185 185 TYR H H 1 8.929 . . . . . . . . 185 Y HN . 50998 2 232 . 1 . 1 185 185 TYR N N 15 119.613 . . . . . . . . 185 Y N . 50998 2 233 . 1 . 1 186 186 LEU H H 1 8.785 . . . . . . . . 186 L HN . 50998 2 234 . 1 . 1 186 186 LEU N N 15 119.987 . . . . . . . . 186 L N . 50998 2 235 . 1 . 1 187 187 LYS H H 1 7.681 . . . . . . . . 187 K HN . 50998 2 236 . 1 . 1 187 187 LYS N N 15 118.544 . . . . . . . . 187 K N . 50998 2 237 . 1 . 1 188 188 LEU H H 1 7.585 . . . . . . . . 188 L HN . 50998 2 238 . 1 . 1 188 188 LEU N N 15 120.040 . . . . . . . . 188 L N . 50998 2 239 . 1 . 1 190 190 LYS H H 1 8.479 . . . . . . . . 190 K HN . 50998 2 240 . 1 . 1 190 190 LYS N N 15 120.093 . . . . . . . . 190 K N . 50998 2 241 . 1 . 1 191 191 CYS H H 1 7.622 . . . . . . . . 191 C HN . 50998 2 242 . 1 . 1 191 191 CYS N N 15 115.713 . . . . . . . . 191 C N . 50998 2 243 . 1 . 1 192 192 ARG H H 1 7.910 . . . . . . . . 192 R HN . 50998 2 244 . 1 . 1 192 192 ARG N N 15 118.224 . . . . . . . . 192 R N . 50998 2 245 . 1 . 1 194 194 ILE H H 1 7.733 . . . . . . . . 194 I HN . 50998 2 246 . 1 . 1 194 194 ILE N N 15 116.728 . . . . . . . . 194 I N . 50998 2 247 . 1 . 1 197 197 ASN H H 1 7.685 . . . . . . . . 197 N HN . 50998 2 248 . 1 . 1 197 197 ASN N N 15 119.292 . . . . . . . . 197 N N . 50998 2 249 . 1 . 1 198 198 ASN H H 1 8.076 . . . . . . . . 198 N HN . 50998 2 250 . 1 . 1 198 198 ASN N N 15 118.063 . . . . . . . . 198 N N . 50998 2 251 . 1 . 1 199 199 CYS H H 1 7.715 . . . . . . . . 199 C HN . 50998 2 252 . 1 . 1 199 199 CYS N N 15 122.925 . . . . . . . . 199 C N . 50998 2 stop_ save_