data_53096 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53096 _Entry.Title ; Estrogen Receptor alpha Activation Domain (ERa AD) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-05 _Entry.Accession_date 2025-05-05 _Entry.Last_release_date 2025-05-06 _Entry.Original_release_date 2025-05-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Stase Bielskute . . . 0000-0001-8510-6098 53096 2 Borja Mateos . . . 0000-0002-0310-4943 53096 3 Jesus Garcia . . . 0000-0003-2961-9790 53096 4 Xavier Salvatella . . . 0000-0002-8371-4185 53096 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53096 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 484 53096 '15N chemical shifts' 153 53096 '1H chemical shifts' 153 53096 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-01-07 . original BMRB . 53096 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53097 'Glucocorticoid receptor Activation Domain (GR AD)' 53096 BMRB 53098 'Mineralocorticoid Receptor Activation Domain (MR AD)' 53096 BMRB 53099 'Mineralocorticoid Receptor Activation Domain (MR AD) 2M urea' 53096 BMRB 53100 'Androgen Receptor Tau-5* noAro' 53096 BMRB 53101 'Androgen Receptor Tau-5* A398P' 53096 BMRB 53102 'Androgen Receptor Tau-5* AAA' 53096 BMRB 53103 'Androgen Receptor Tau-5* G407A' 53096 BMRB 53104 'Androgen Receptor Tau-5* dC448' 53096 BMRB 53105 'Androgen Receptor Tau-5*' 53096 BMRB 53106 'Androgen Receptor Tau-5* C404Y' 53096 BMRB 53108 'Androgen Receptor Nt L26P' 53096 BMRB 53109 'Androgen Receptor allTau-5' 53096 BMRB 53110 'Androgen Receptor allTau-5 4G CtoS' 53096 BMRB 53111 'Androgen Receptor allTau-5 4G CtoS PP' 53096 BMRB 53112 'Progesterone Receptor Activation Domain (PR AD)' 53096 BMRB 53113 'AR Tau-5* C404S covalent dimer' 53096 BMRB 53114 'AR Tau-5* C404S C448-IAM' 53096 BMRB 53115 'AR Tau-5* (dC448) C404 - EPI-001 covalent adduct' 53096 BMRB 53116 'AR Tau-5* h2SA' 53096 BMRB 53117 'AR Tau-5* h3A' 53096 BMRB 53118 'AR Tau-5* L436P' 53096 BMRB 53119 'AR Tau-5* PP' 53096 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53096 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Oligomerization enables the selective targeting of an intrinsically disordered region by a small molecule ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science Advances' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Stase Bielskute . . . . 53096 1 2 Borja Mateos . . . . 53096 1 3 Muhammad Awawdy . . . . 53096 1 4 Carla Garcia-Cabau . . . . 53096 1 5 Henri Niskanen . . . . 53096 1 6 Carolina Sanchez-Zarzalejo . . . . 53096 1 7 Lorenzo Bracaglia . . . . 53096 1 8 Roberta Pierattelli . . . . 53096 1 9 Isabella Felli . C. . . 53096 1 10 Marta Frigole-Vivas . . . . 53096 1 11 Jesus Garcia . . . . 53096 1 12 Antoni Riera . . . . 53096 1 13 Denes Hnisz . . . . 53096 1 14 Xavier Salvatella . . . . 53096 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53096 _Assembly.ID 1 _Assembly.Name 'ERa AD' _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 'ERa AD' 1 $entity_1 . . yes native no no . . . 53096 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53096 _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 ; MTMTLHTKASGMALLHQIQG NELEPLNRPQLKIPLERPLG EVYLDSSKPAVYNYPEGAAY EFNAAAAANAQVYGQTGLPY GPGSEAAAFGSNGLGGFPPL NSVSPSPLMLLHPPPQLSPF LQPHGQQVPYYLENEPSGYT VREAGPPAFYRPNSDNRRQG GRERLASTNDKGSMAMESAK ETRY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 53096 1 2 . THR . 53096 1 3 . MET . 53096 1 4 . THR . 53096 1 5 . LEU . 53096 1 6 . HIS . 53096 1 7 . THR . 53096 1 8 . LYS . 53096 1 9 . ALA . 53096 1 10 . SER . 53096 1 11 . GLY . 53096 1 12 . MET . 53096 1 13 . ALA . 53096 1 14 . LEU . 53096 1 15 . LEU . 53096 1 16 . HIS . 53096 1 17 . GLN . 53096 1 18 . ILE . 53096 1 19 . GLN . 53096 1 20 . GLY . 53096 1 21 . ASN . 53096 1 22 . GLU . 53096 1 23 . LEU . 53096 1 24 . GLU . 53096 1 25 . PRO . 53096 1 26 . LEU . 53096 1 27 . ASN . 53096 1 28 . ARG . 53096 1 29 . PRO . 53096 1 30 . GLN . 53096 1 31 . LEU . 53096 1 32 . LYS . 53096 1 33 . ILE . 53096 1 34 . PRO . 53096 1 35 . LEU . 53096 1 36 . GLU . 53096 1 37 . ARG . 53096 1 38 . PRO . 53096 1 39 . LEU . 53096 1 40 . GLY . 53096 1 41 . GLU . 53096 1 42 . VAL . 53096 1 43 . TYR . 53096 1 44 . LEU . 53096 1 45 . ASP . 53096 1 46 . SER . 53096 1 47 . SER . 53096 1 48 . LYS . 53096 1 49 . PRO . 53096 1 50 . ALA . 53096 1 51 . VAL . 53096 1 52 . TYR . 53096 1 53 . ASN . 53096 1 54 . TYR . 53096 1 55 . PRO . 53096 1 56 . GLU . 53096 1 57 . GLY . 53096 1 58 . ALA . 53096 1 59 . ALA . 53096 1 60 . TYR . 53096 1 61 . GLU . 53096 1 62 . PHE . 53096 1 63 . ASN . 53096 1 64 . ALA . 53096 1 65 . ALA . 53096 1 66 . ALA . 53096 1 67 . ALA . 53096 1 68 . ALA . 53096 1 69 . ASN . 53096 1 70 . ALA . 53096 1 71 . GLN . 53096 1 72 . VAL . 53096 1 73 . TYR . 53096 1 74 . GLY . 53096 1 75 . GLN . 53096 1 76 . THR . 53096 1 77 . GLY . 53096 1 78 . LEU . 53096 1 79 . PRO . 53096 1 80 . TYR . 53096 1 81 . GLY . 53096 1 82 . PRO . 53096 1 83 . GLY . 53096 1 84 . SER . 53096 1 85 . GLU . 53096 1 86 . ALA . 53096 1 87 . ALA . 53096 1 88 . ALA . 53096 1 89 . PHE . 53096 1 90 . GLY . 53096 1 91 . SER . 53096 1 92 . ASN . 53096 1 93 . GLY . 53096 1 94 . LEU . 53096 1 95 . GLY . 53096 1 96 . GLY . 53096 1 97 . PHE . 53096 1 98 . PRO . 53096 1 99 . PRO . 53096 1 100 . LEU . 53096 1 101 . ASN . 53096 1 102 . SER . 53096 1 103 . VAL . 53096 1 104 . SER . 53096 1 105 . PRO . 53096 1 106 . SER . 53096 1 107 . PRO . 53096 1 108 . LEU . 53096 1 109 . MET . 53096 1 110 . LEU . 53096 1 111 . LEU . 53096 1 112 . HIS . 53096 1 113 . PRO . 53096 1 114 . PRO . 53096 1 115 . PRO . 53096 1 116 . GLN . 53096 1 117 . LEU . 53096 1 118 . SER . 53096 1 119 . PRO . 53096 1 120 . PHE . 53096 1 121 . LEU . 53096 1 122 . GLN . 53096 1 123 . PRO . 53096 1 124 . HIS . 53096 1 125 . GLY . 53096 1 126 . GLN . 53096 1 127 . GLN . 53096 1 128 . VAL . 53096 1 129 . PRO . 53096 1 130 . TYR . 53096 1 131 . TYR . 53096 1 132 . LEU . 53096 1 133 . GLU . 53096 1 134 . ASN . 53096 1 135 . GLU . 53096 1 136 . PRO . 53096 1 137 . SER . 53096 1 138 . GLY . 53096 1 139 . TYR . 53096 1 140 . THR . 53096 1 141 . VAL . 53096 1 142 . ARG . 53096 1 143 . GLU . 53096 1 144 . ALA . 53096 1 145 . GLY . 53096 1 146 . PRO . 53096 1 147 . PRO . 53096 1 148 . ALA . 53096 1 149 . PHE . 53096 1 150 . TYR . 53096 1 151 . ARG . 53096 1 152 . PRO . 53096 1 153 . ASN . 53096 1 154 . SER . 53096 1 155 . ASP . 53096 1 156 . ASN . 53096 1 157 . ARG . 53096 1 158 . ARG . 53096 1 159 . GLN . 53096 1 160 . GLY . 53096 1 161 . GLY . 53096 1 162 . ARG . 53096 1 163 . GLU . 53096 1 164 . ARG . 53096 1 165 . LEU . 53096 1 166 . ALA . 53096 1 167 . SER . 53096 1 168 . THR . 53096 1 169 . ASN . 53096 1 170 . ASP . 53096 1 171 . LYS . 53096 1 172 . GLY . 53096 1 173 . SER . 53096 1 174 . MET . 53096 1 175 . ALA . 53096 1 176 . MET . 53096 1 177 . GLU . 53096 1 178 . SER . 53096 1 179 . ALA . 53096 1 180 . LYS . 53096 1 181 . GLU . 53096 1 182 . THR . 53096 1 183 . ARG . 53096 1 184 . TYR . 53096 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53096 1 . THR 2 2 53096 1 . MET 3 3 53096 1 . THR 4 4 53096 1 . LEU 5 5 53096 1 . HIS 6 6 53096 1 . THR 7 7 53096 1 . LYS 8 8 53096 1 . ALA 9 9 53096 1 . SER 10 10 53096 1 . GLY 11 11 53096 1 . MET 12 12 53096 1 . ALA 13 13 53096 1 . LEU 14 14 53096 1 . LEU 15 15 53096 1 . HIS 16 16 53096 1 . GLN 17 17 53096 1 . ILE 18 18 53096 1 . GLN 19 19 53096 1 . GLY 20 20 53096 1 . ASN 21 21 53096 1 . GLU 22 22 53096 1 . LEU 23 23 53096 1 . GLU 24 24 53096 1 . PRO 25 25 53096 1 . LEU 26 26 53096 1 . ASN 27 27 53096 1 . ARG 28 28 53096 1 . PRO 29 29 53096 1 . GLN 30 30 53096 1 . LEU 31 31 53096 1 . LYS 32 32 53096 1 . ILE 33 33 53096 1 . PRO 34 34 53096 1 . LEU 35 35 53096 1 . GLU 36 36 53096 1 . ARG 37 37 53096 1 . PRO 38 38 53096 1 . LEU 39 39 53096 1 . GLY 40 40 53096 1 . GLU 41 41 53096 1 . VAL 42 42 53096 1 . TYR 43 43 53096 1 . LEU 44 44 53096 1 . ASP 45 45 53096 1 . SER 46 46 53096 1 . SER 47 47 53096 1 . LYS 48 48 53096 1 . PRO 49 49 53096 1 . ALA 50 50 53096 1 . VAL 51 51 53096 1 . TYR 52 52 53096 1 . ASN 53 53 53096 1 . TYR 54 54 53096 1 . PRO 55 55 53096 1 . GLU 56 56 53096 1 . GLY 57 57 53096 1 . ALA 58 58 53096 1 . ALA 59 59 53096 1 . TYR 60 60 53096 1 . GLU 61 61 53096 1 . PHE 62 62 53096 1 . ASN 63 63 53096 1 . ALA 64 64 53096 1 . ALA 65 65 53096 1 . ALA 66 66 53096 1 . ALA 67 67 53096 1 . ALA 68 68 53096 1 . ASN 69 69 53096 1 . ALA 70 70 53096 1 . GLN 71 71 53096 1 . VAL 72 72 53096 1 . TYR 73 73 53096 1 . GLY 74 74 53096 1 . GLN 75 75 53096 1 . THR 76 76 53096 1 . GLY 77 77 53096 1 . LEU 78 78 53096 1 . PRO 79 79 53096 1 . TYR 80 80 53096 1 . GLY 81 81 53096 1 . PRO 82 82 53096 1 . GLY 83 83 53096 1 . SER 84 84 53096 1 . GLU 85 85 53096 1 . ALA 86 86 53096 1 . ALA 87 87 53096 1 . ALA 88 88 53096 1 . PHE 89 89 53096 1 . GLY 90 90 53096 1 . SER 91 91 53096 1 . ASN 92 92 53096 1 . GLY 93 93 53096 1 . LEU 94 94 53096 1 . GLY 95 95 53096 1 . GLY 96 96 53096 1 . PHE 97 97 53096 1 . PRO 98 98 53096 1 . PRO 99 99 53096 1 . LEU 100 100 53096 1 . ASN 101 101 53096 1 . SER 102 102 53096 1 . VAL 103 103 53096 1 . SER 104 104 53096 1 . PRO 105 105 53096 1 . SER 106 106 53096 1 . PRO 107 107 53096 1 . LEU 108 108 53096 1 . MET 109 109 53096 1 . LEU 110 110 53096 1 . LEU 111 111 53096 1 . HIS 112 112 53096 1 . PRO 113 113 53096 1 . PRO 114 114 53096 1 . PRO 115 115 53096 1 . GLN 116 116 53096 1 . LEU 117 117 53096 1 . SER 118 118 53096 1 . PRO 119 119 53096 1 . PHE 120 120 53096 1 . LEU 121 121 53096 1 . GLN 122 122 53096 1 . PRO 123 123 53096 1 . HIS 124 124 53096 1 . GLY 125 125 53096 1 . GLN 126 126 53096 1 . GLN 127 127 53096 1 . VAL 128 128 53096 1 . PRO 129 129 53096 1 . TYR 130 130 53096 1 . TYR 131 131 53096 1 . LEU 132 132 53096 1 . GLU 133 133 53096 1 . ASN 134 134 53096 1 . GLU 135 135 53096 1 . PRO 136 136 53096 1 . SER 137 137 53096 1 . GLY 138 138 53096 1 . TYR 139 139 53096 1 . THR 140 140 53096 1 . VAL 141 141 53096 1 . ARG 142 142 53096 1 . GLU 143 143 53096 1 . ALA 144 144 53096 1 . GLY 145 145 53096 1 . PRO 146 146 53096 1 . PRO 147 147 53096 1 . ALA 148 148 53096 1 . PHE 149 149 53096 1 . TYR 150 150 53096 1 . ARG 151 151 53096 1 . PRO 152 152 53096 1 . ASN 153 153 53096 1 . SER 154 154 53096 1 . ASP 155 155 53096 1 . ASN 156 156 53096 1 . ARG 157 157 53096 1 . ARG 158 158 53096 1 . GLN 159 159 53096 1 . GLY 160 160 53096 1 . GLY 161 161 53096 1 . ARG 162 162 53096 1 . GLU 163 163 53096 1 . ARG 164 164 53096 1 . LEU 165 165 53096 1 . ALA 166 166 53096 1 . SER 167 167 53096 1 . THR 168 168 53096 1 . ASN 169 169 53096 1 . ASP 170 170 53096 1 . LYS 171 171 53096 1 . GLY 172 172 53096 1 . SER 173 173 53096 1 . MET 174 174 53096 1 . ALA 175 175 53096 1 . MET 176 176 53096 1 . GLU 177 177 53096 1 . SER 178 178 53096 1 . ALA 179 179 53096 1 . LYS 180 180 53096 1 . GLU 181 181 53096 1 . THR 182 182 53096 1 . ARG 183 183 53096 1 . TYR 184 184 53096 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 53096 _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 . . . . . . . . . . . . . 53096 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 53096 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pDEST17 . . . 53096 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53096 _Sample.ID 1 _Sample.Name 'ERa AD' _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 'ERa AD' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 53096 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 53096 1 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 53096 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 53096 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53096 1 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 53096 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53096 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'assignment conditions' _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' 100 . mM 53096 1 pH 7.4 . pH 53096 1 pressure 1 . atm 53096 1 temperature 278 . K 53096 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53096 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53096 1 'data analysis' . 53096 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53096 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53096 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53096 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53096 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53096 _Software.ID 4 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53096 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53096 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53096 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53096 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53096 1 3 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53096 1 4 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53096 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53096 1 6 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53096 1 7 '3D HN(CA)NNH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53096 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 53096 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'ERa AD' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 53096 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53096 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 53096 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 53096 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ERa AD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53096 1 2 '3D HNCO' . . . 53096 1 3 '3D HNCA' . . . 53096 1 4 '3D HN(CA)CO' . . . 53096 1 5 '3D HNCACB' . . . 53096 1 6 '3D HN(CO)CACB' . . . 53096 1 7 '3D HN(CA)NNH' . . . 53096 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53096 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 MET H H 1 8.76620333 0.004356219748 . 1 . . . . . 1 MET H . 53096 1 2 . 1 . 1 1 1 MET C C 13 176.450091 0.0164562514 . 1 . . . . . 1 MET C . 53096 1 3 . 1 . 1 1 1 MET CA C 13 55.55503053 0.02214968785 . 1 . . . . . 1 MET CA . 53096 1 4 . 1 . 1 1 1 MET N N 15 120.8822713 0.005652270871 . 1 . . . . . 1 MET N . 53096 1 5 . 1 . 1 2 2 THR H H 1 8.298663559 0.002325079654 . 1 . . . . . 2 THR H . 53096 1 6 . 1 . 1 2 2 THR C C 13 174.3593266 0.000552061296 . 1 . . . . . 2 THR C . 53096 1 7 . 1 . 1 2 2 THR CA C 13 62.15951795 0.01499602079 . 1 . . . . . 2 THR CA . 53096 1 8 . 1 . 1 2 2 THR CB C 13 69.62020904 . . 1 . . . . . 2 THR CB . 53096 1 9 . 1 . 1 2 2 THR N N 15 116.8073823 0.01344613513 . 1 . . . . . 2 THR N . 53096 1 10 . 1 . 1 3 3 MET H H 1 8.599676734 0.005293027365 . 1 . . . . . 3 MET H . 53096 1 11 . 1 . 1 3 3 MET C C 13 176.1709928 0.01134234465 . 1 . . . . . 3 MET C . 53096 1 12 . 1 . 1 3 3 MET CA C 13 55.29161422 . . 1 . . . . . 3 MET CA . 53096 1 13 . 1 . 1 3 3 MET CB C 13 32.84885375 . . 1 . . . . . 3 MET CB . 53096 1 14 . 1 . 1 3 3 MET N N 15 123.6538068 0.01460372538 . 1 . . . . . 3 MET N . 53096 1 15 . 1 . 1 4 4 THR H H 1 8.349938666 0.002509413742 . 1 . . . . . 4 THR H . 53096 1 16 . 1 . 1 4 4 THR C C 13 174.2207433 0.00171399022 . 1 . . . . . 4 THR C . 53096 1 17 . 1 . 1 4 4 THR CA C 13 62.13999397 . . 1 . . . . . 4 THR CA . 53096 1 18 . 1 . 1 4 4 THR CB C 13 69.79831929 . . 1 . . . . . 4 THR CB . 53096 1 19 . 1 . 1 4 4 THR N N 15 117.0030933 0.01545407052 . 1 . . . . . 4 THR N . 53096 1 20 . 1 . 1 5 5 LEU H H 1 8.423943976 0.002532474549 . 1 . . . . . 5 LEU H . 53096 1 21 . 1 . 1 5 5 LEU C C 13 177.0567359 0.01307260534 . 1 . . . . . 5 LEU C . 53096 1 22 . 1 . 1 5 5 LEU CA C 13 55.20069057 0.006658877447 . 1 . . . . . 5 LEU CA . 53096 1 23 . 1 . 1 5 5 LEU CB C 13 42.6567831 0.1742529651 . 1 . . . . . 5 LEU CB . 53096 1 24 . 1 . 1 5 5 LEU N N 15 125.06338 0.007778470565 . 1 . . . . . 5 LEU N . 53096 1 25 . 1 . 1 6 6 HIS H H 1 8.416967659 0.002630732795 . 1 . . . . . 6 HIS H . 53096 1 26 . 1 . 1 6 6 HIS C C 13 175.8218426 0.01805631333 . 1 . . . . . 6 HIS C . 53096 1 27 . 1 . 1 6 6 HIS CA C 13 56.46092989 . . 1 . . . . . 6 HIS CA . 53096 1 28 . 1 . 1 6 6 HIS N N 15 121.0524391 0.01213187889 . 1 . . . . . 6 HIS N . 53096 1 29 . 1 . 1 7 7 THR H H 1 8.199181032 0.003607078068 . 1 . . . . . 7 THR H . 53096 1 30 . 1 . 1 7 7 THR C C 13 174.5863052 0.0110645572 . 1 . . . . . 7 THR C . 53096 1 31 . 1 . 1 7 7 THR CA C 13 61.95849694 . . 1 . . . . . 7 THR CA . 53096 1 32 . 1 . 1 7 7 THR CB C 13 69.93888334 . . 1 . . . . . 7 THR CB . 53096 1 33 . 1 . 1 7 7 THR N N 15 115.9521594 0.01806493077 . 1 . . . . . 7 THR N . 53096 1 34 . 1 . 1 8 8 LYS H H 1 8.554130534 0.002148099774 . 1 . . . . . 8 LYS H . 53096 1 35 . 1 . 1 8 8 LYS C C 13 176.6711656 0.006527149904 . 1 . . . . . 8 LYS C . 53096 1 36 . 1 . 1 8 8 LYS CA C 13 56.59245933 . . 1 . . . . . 8 LYS CA . 53096 1 37 . 1 . 1 8 8 LYS N N 15 124.1848341 0.01179253705 . 1 . . . . . 8 LYS N . 53096 1 38 . 1 . 1 9 9 ALA H H 1 8.498785455 0.003698867814 . 1 . . . . . 9 ALA H . 53096 1 39 . 1 . 1 9 9 ALA C C 13 178.0446845 0.0003361103329 . 1 . . . . . 9 ALA C . 53096 1 40 . 1 . 1 9 9 ALA CA C 13 52.69758197 . . 1 . . . . . 9 ALA CA . 53096 1 41 . 1 . 1 9 9 ALA CB C 13 19.1640663 . . 1 . . . . . 9 ALA CB . 53096 1 42 . 1 . 1 9 9 ALA N N 15 125.4238371 0.009082436404 . 1 . . . . . 9 ALA N . 53096 1 43 . 1 . 1 10 10 SER H H 1 8.427397442 0.004996580548 . 1 . . . . . 10 SER H . 53096 1 44 . 1 . 1 10 10 SER C C 13 175.3460677 0.007084222518 . 1 . . . . . 10 SER C . 53096 1 45 . 1 . 1 10 10 SER CA C 13 58.78062386 . . 1 . . . . . 10 SER CA . 53096 1 46 . 1 . 1 10 10 SER CB C 13 63.83894952 0 . 1 . . . . . 10 SER CB . 53096 1 47 . 1 . 1 10 10 SER N N 15 115.444382 0.01198137006 . 1 . . . . . 10 SER N . 53096 1 48 . 1 . 1 11 11 GLY H H 1 8.522364263 0.001033646949 . 1 . . . . . 11 GLY H . 53096 1 49 . 1 . 1 11 11 GLY C C 13 174.612022 0.001392641432 . 1 . . . . . 11 GLY C . 53096 1 50 . 1 . 1 11 11 GLY CA C 13 45.61183838 0.03841888904 . 1 . . . . . 11 GLY CA . 53096 1 51 . 1 . 1 11 11 GLY N N 15 110.6916116 0.004053633713 . 1 . . . . . 11 GLY N . 53096 1 52 . 1 . 1 12 12 MET H H 1 8.266102097 0.001468992181 . 1 . . . . . 12 MET H . 53096 1 53 . 1 . 1 12 12 MET C C 13 176.3236268 0.01414633909 . 1 . . . . . 12 MET C . 53096 1 54 . 1 . 1 12 12 MET CA C 13 55.75319493 0.02190544495 . 1 . . . . . 12 MET CA . 53096 1 55 . 1 . 1 12 12 MET CB C 13 32.78652645 0 . 1 . . . . . 12 MET CB . 53096 1 56 . 1 . 1 12 12 MET N N 15 120.3037279 0.008372052786 . 1 . . . . . 12 MET N . 53096 1 57 . 1 . 1 13 13 ALA H H 1 8.3520347 0.00129831702 . 1 . . . . . 13 ALA H . 53096 1 58 . 1 . 1 13 13 ALA C C 13 177.9323201 0.002512271403 . 1 . . . . . 13 ALA C . 53096 1 59 . 1 . 1 13 13 ALA CA C 13 52.87032671 0.01013787532 . 1 . . . . . 13 ALA CA . 53096 1 60 . 1 . 1 13 13 ALA CB C 13 18.93622843 0.0170686975 . 1 . . . . . 13 ALA CB . 53096 1 61 . 1 . 1 13 13 ALA N N 15 124.6111899 0.01837532476 . 1 . . . . . 13 ALA N . 53096 1 62 . 1 . 1 14 14 LEU H H 1 8.156179706 0.0008727947191 . 1 . . . . . 14 LEU H . 53096 1 63 . 1 . 1 14 14 LEU C C 13 177.5433583 0.008865779515 . 1 . . . . . 14 LEU C . 53096 1 64 . 1 . 1 14 14 LEU CA C 13 55.36862774 0.1251913223 . 1 . . . . . 14 LEU CA . 53096 1 65 . 1 . 1 14 14 LEU CB C 13 42.1454141 0.02690532077 . 1 . . . . . 14 LEU CB . 53096 1 66 . 1 . 1 14 14 LEU N N 15 120.8305811 0.006363111717 . 1 . . . . . 14 LEU N . 53096 1 67 . 1 . 1 15 15 LEU H H 1 8.133086926 0.001224848133 . 1 . . . . . 15 LEU H . 53096 1 68 . 1 . 1 15 15 LEU C C 13 177.294641 0.005673312563 . 1 . . . . . 15 LEU C . 53096 1 69 . 1 . 1 15 15 LEU CA C 13 55.59869591 0.01648420235 . 1 . . . . . 15 LEU CA . 53096 1 70 . 1 . 1 15 15 LEU CB C 13 42.23251104 . . 1 . . . . . 15 LEU CB . 53096 1 71 . 1 . 1 15 15 LEU N N 15 122.0299218 0.005196201786 . 1 . . . . . 15 LEU N . 53096 1 72 . 1 . 1 16 16 HIS H H 1 8.222582857 0.002583895095 . 1 . . . . . 16 HIS H . 53096 1 73 . 1 . 1 16 16 HIS C C 13 175.3986471 0.004918481144 . 1 . . . . . 16 HIS C . 53096 1 74 . 1 . 1 16 16 HIS CA C 13 56.41023254 0.0708403538 . 1 . . . . . 16 HIS CA . 53096 1 75 . 1 . 1 16 16 HIS CB C 13 30.75996551 0.03196353891 . 1 . . . . . 16 HIS CB . 53096 1 76 . 1 . 1 16 16 HIS N N 15 119.377836 0.01657357699 . 1 . . . . . 16 HIS N . 53096 1 77 . 1 . 1 17 17 GLN H H 1 8.266030193 0.002872487763 . 1 . . . . . 17 GLN H . 53096 1 78 . 1 . 1 17 17 GLN C C 13 175.8891415 0.005020586533 . 1 . . . . . 17 GLN C . 53096 1 79 . 1 . 1 17 17 GLN CA C 13 55.81905912 0.002821462268 . 1 . . . . . 17 GLN CA . 53096 1 80 . 1 . 1 17 17 GLN CB C 13 29.44031494 0.07482610119 . 1 . . . . . 17 GLN CB . 53096 1 81 . 1 . 1 17 17 GLN N N 15 121.5848421 0.01222090789 . 1 . . . . . 17 GLN N . 53096 1 82 . 1 . 1 18 18 ILE H H 1 8.352376075 0.0008042263066 . 1 . . . . . 18 ILE H . 53096 1 83 . 1 . 1 18 18 ILE C C 13 176.4371123 0.007506973367 . 1 . . . . . 18 ILE C . 53096 1 84 . 1 . 1 18 18 ILE CA C 13 61.41760601 0.006294327757 . 1 . . . . . 18 ILE CA . 53096 1 85 . 1 . 1 18 18 ILE CB C 13 38.59193155 0.02544049104 . 1 . . . . . 18 ILE CB . 53096 1 86 . 1 . 1 18 18 ILE N N 15 122.7173161 0.004558105725 . 1 . . . . . 18 ILE N . 53096 1 87 . 1 . 1 19 19 GLN H H 1 8.70369971 0.00103358783 . 1 . . . . . 19 GLN H . 53096 1 88 . 1 . 1 19 19 GLN C C 13 176.4371198 . . 1 . . . . . 19 GLN C . 53096 1 89 . 1 . 1 19 19 GLN CA C 13 55.98273259 0.04130856528 . 1 . . . . . 19 GLN CA . 53096 1 90 . 1 . 1 19 19 GLN CB C 13 29.55918132 0.03056125393 . 1 . . . . . 19 GLN CB . 53096 1 91 . 1 . 1 19 19 GLN N N 15 124.8928294 0.005013237027 . 1 . . . . . 19 GLN N . 53096 1 92 . 1 . 1 20 20 GLY H H 1 8.647185033 0.001479612635 . 1 . . . . . 20 GLY H . 53096 1 93 . 1 . 1 20 20 GLY C C 13 173.9003352 0.005470560178 . 1 . . . . . 20 GLY C . 53096 1 94 . 1 . 1 20 20 GLY CA C 13 45.34985925 0.001755183884 . 1 . . . . . 20 GLY CA . 53096 1 95 . 1 . 1 20 20 GLY N N 15 110.8515586 0.01150666408 . 1 . . . . . 20 GLY N . 53096 1 96 . 1 . 1 21 21 ASN H H 1 8.443051008 0.001276824696 . 1 . . . . . 21 ASN H . 53096 1 97 . 1 . 1 21 21 ASN C C 13 175.47742 0.00630269409 . 1 . . . . . 21 ASN C . 53096 1 98 . 1 . 1 21 21 ASN CA C 13 53.15204959 0.03625288479 . 1 . . . . . 21 ASN CA . 53096 1 99 . 1 . 1 21 21 ASN CB C 13 38.95090822 0.05793943615 . 1 . . . . . 21 ASN CB . 53096 1 100 . 1 . 1 21 21 ASN N N 15 118.7367447 0.01498817293 . 1 . . . . . 21 ASN N . 53096 1 101 . 1 . 1 22 22 GLU H H 1 8.726843759 0.001344560805 . 1 . . . . . 22 GLU H . 53096 1 102 . 1 . 1 22 22 GLU C C 13 176.4849638 0.007409767872 . 1 . . . . . 22 GLU C . 53096 1 103 . 1 . 1 22 22 GLU CA C 13 57.12983476 0.009467329683 . 1 . . . . . 22 GLU CA . 53096 1 104 . 1 . 1 22 22 GLU CB C 13 29.8609495 0.05671806529 . 1 . . . . . 22 GLU CB . 53096 1 105 . 1 . 1 22 22 GLU N N 15 121.2793444 0.007728654799 . 1 . . . . . 22 GLU N . 53096 1 106 . 1 . 1 23 23 LEU H H 1 8.337550127 0.003862696461 . 1 . . . . . 23 LEU H . 53096 1 107 . 1 . 1 23 23 LEU C C 13 177.3038154 0.003811516867 . 1 . . . . . 23 LEU C . 53096 1 108 . 1 . 1 23 23 LEU CA C 13 55.08495161 0.01347032562 . 1 . . . . . 23 LEU CA . 53096 1 109 . 1 . 1 23 23 LEU CB C 13 42.23328801 0.02929699311 . 1 . . . . . 23 LEU CB . 53096 1 110 . 1 . 1 23 23 LEU N N 15 122.2453259 0.00484575068 . 1 . . . . . 23 LEU N . 53096 1 111 . 1 . 1 24 24 GLU H H 1 8.310895426 0.002126999084 . 1 . . . . . 24 GLU H . 53096 1 112 . 1 . 1 24 24 GLU C C 13 174.5023742 . . 1 . . . . . 24 GLU C . 53096 1 113 . 1 . 1 24 24 GLU CA C 13 54.4507857 . . 1 . . . . . 24 GLU CA . 53096 1 114 . 1 . 1 24 24 GLU CB C 13 29.7007628 . . 1 . . . . . 24 GLU CB . 53096 1 115 . 1 . 1 24 24 GLU N N 15 122.712138 0.006533617939 . 1 . . . . . 24 GLU N . 53096 1 116 . 1 . 1 25 25 PRO C C 13 177.1695771 . . 1 . . . . . 25 PRO C . 53096 1 117 . 1 . 1 25 25 PRO CA C 13 63.39187143 . . 1 . . . . . 25 PRO CA . 53096 1 118 . 1 . 1 25 25 PRO CB C 13 32.0990766 0.0000935 . 1 . . . . . 25 PRO CB . 53096 1 119 . 1 . 1 26 26 LEU H H 1 8.488994526 0.001623449336 . 1 . . . . . 26 LEU H . 53096 1 120 . 1 . 1 26 26 LEU C C 13 177.3324311 0.003576354471 . 1 . . . . . 26 LEU C . 53096 1 121 . 1 . 1 26 26 LEU CA C 13 55.50688601 0.006614323915 . 1 . . . . . 26 LEU CA . 53096 1 122 . 1 . 1 26 26 LEU CB C 13 42.15639548 0.01232563897 . 1 . . . . . 26 LEU CB . 53096 1 123 . 1 . 1 26 26 LEU N N 15 121.3607716 0.011632533 . 1 . . . . . 26 LEU N . 53096 1 124 . 1 . 1 27 27 ASN H H 1 8.435308007 0.001977433788 . 1 . . . . . 27 ASN H . 53096 1 125 . 1 . 1 27 27 ASN C C 13 174.642897 0.001427163338 . 1 . . . . . 27 ASN C . 53096 1 126 . 1 . 1 27 27 ASN CA C 13 52.90327138 0.02656548656 . 1 . . . . . 27 ASN CA . 53096 1 127 . 1 . 1 27 27 ASN CB C 13 38.72499331 0.007892225337 . 1 . . . . . 27 ASN CB . 53096 1 128 . 1 . 1 27 27 ASN N N 15 118.6357287 0.00224475406 . 1 . . . . . 27 ASN N . 53096 1 129 . 1 . 1 28 28 ARG H H 1 8.234684836 0.001242733916 . 1 . . . . . 28 ARG H . 53096 1 130 . 1 . 1 28 28 ARG C C 13 174.0372479 . . 1 . . . . . 28 ARG C . 53096 1 131 . 1 . 1 28 28 ARG CA C 13 54.11378646 . . 1 . . . . . 28 ARG CA . 53096 1 132 . 1 . 1 28 28 ARG CB C 13 30.08337687 . . 1 . . . . . 28 ARG CB . 53096 1 133 . 1 . 1 28 28 ARG N N 15 122.3112521 0.009830036031 . 1 . . . . . 28 ARG N . 53096 1 134 . 1 . 1 29 29 PRO C C 13 176.8170645 . . 1 . . . . . 29 PRO C . 53096 1 135 . 1 . 1 29 29 PRO CA C 13 63.2471631 0.003473690984 . 1 . . . . . 29 PRO CA . 53096 1 136 . 1 . 1 29 29 PRO CB C 13 32.0925305 . . 1 . . . . . 29 PRO CB . 53096 1 137 . 1 . 1 30 30 GLN H H 1 8.671102344 0.001396501802 . 1 . . . . . 30 GLN H . 53096 1 138 . 1 . 1 30 30 GLN C C 13 175.9024985 0.00121111682 . 1 . . . . . 30 GLN C . 53096 1 139 . 1 . 1 30 30 GLN CA C 13 55.59376387 0.02513136944 . 1 . . . . . 30 GLN CA . 53096 1 140 . 1 . 1 30 30 GLN CB C 13 29.56747919 0.02182751015 . 1 . . . . . 30 GLN CB . 53096 1 141 . 1 . 1 30 30 GLN N N 15 121.2045235 0.006840854179 . 1 . . . . . 30 GLN N . 53096 1 142 . 1 . 1 31 31 LEU H H 1 8.422802507 0.001745512744 . 1 . . . . . 31 LEU H . 53096 1 143 . 1 . 1 31 31 LEU C C 13 177.083854 0.002894361172 . 1 . . . . . 31 LEU C . 53096 1 144 . 1 . 1 31 31 LEU CA C 13 55.0576172 0.006581439329 . 1 . . . . . 31 LEU CA . 53096 1 145 . 1 . 1 31 31 LEU CB C 13 42.4271898 0.01961877159 . 1 . . . . . 31 LEU CB . 53096 1 146 . 1 . 1 31 31 LEU N N 15 124.4786818 0.008791239663 . 1 . . . . . 31 LEU N . 53096 1 147 . 1 . 1 32 32 LYS H H 1 8.483201334 0.001464854611 . 1 . . . . . 32 LYS H . 53096 1 148 . 1 . 1 32 32 LYS C C 13 176.1203495 0.001765501282 . 1 . . . . . 32 LYS C . 53096 1 149 . 1 . 1 32 32 LYS CA C 13 56.01628728 0.009783168677 . 1 . . . . . 32 LYS CA . 53096 1 150 . 1 . 1 32 32 LYS CB C 13 32.85398952 0.01677778656 . 1 . . . . . 32 LYS CB . 53096 1 151 . 1 . 1 32 32 LYS N N 15 123.3399774 0.008081373472 . 1 . . . . . 32 LYS N . 53096 1 152 . 1 . 1 33 33 ILE H H 1 8.315276238 0.002136544092 . 1 . . . . . 33 ILE H . 53096 1 153 . 1 . 1 33 33 ILE C C 13 174.4274274 . . 1 . . . . . 33 ILE C . 53096 1 154 . 1 . 1 33 33 ILE CA C 13 58.56040588 . . 1 . . . . . 33 ILE CA . 53096 1 155 . 1 . 1 33 33 ILE CB C 13 38.51926312 . . 1 . . . . . 33 ILE CB . 53096 1 156 . 1 . 1 33 33 ILE N N 15 124.598053 0.007186440258 . 1 . . . . . 33 ILE N . 53096 1 157 . 1 . 1 34 34 PRO C C 13 176.642895 . . 1 . . . . . 34 PRO C . 53096 1 158 . 1 . 1 34 34 PRO CA C 13 63.00287221 . . 1 . . . . . 34 PRO CA . 53096 1 159 . 1 . 1 34 34 PRO CB C 13 32.10748704 0 . 1 . . . . . 34 PRO CB . 53096 1 160 . 1 . 1 35 35 LEU H H 1 8.417614451 0.002272838712 . 1 . . . . . 35 LEU H . 53096 1 161 . 1 . 1 35 35 LEU C C 13 177.4854519 0.005876600877 . 1 . . . . . 35 LEU C . 53096 1 162 . 1 . 1 35 35 LEU CA C 13 55.12607961 0.002678568637 . 1 . . . . . 35 LEU CA . 53096 1 163 . 1 . 1 35 35 LEU CB C 13 42.50570512 0.0196505511 . 1 . . . . . 35 LEU CB . 53096 1 164 . 1 . 1 35 35 LEU N N 15 122.7626955 0.02094892841 . 1 . . . . . 35 LEU N . 53096 1 165 . 1 . 1 36 36 GLU H H 1 8.498598415 0.001583633405 . 1 . . . . . 36 GLU H . 53096 1 166 . 1 . 1 36 36 GLU C C 13 176.0136325 0.002608560587 . 1 . . . . . 36 GLU C . 53096 1 167 . 1 . 1 36 36 GLU CA C 13 56.33138526 0.01477902896 . 1 . . . . . 36 GLU CA . 53096 1 168 . 1 . 1 36 36 GLU CB C 13 30.35707916 0.006257117685 . 1 . . . . . 36 GLU CB . 53096 1 169 . 1 . 1 36 36 GLU N N 15 122.2872867 0.008072115633 . 1 . . . . . 36 GLU N . 53096 1 170 . 1 . 1 37 37 ARG H H 1 8.466285247 0.001768811278 . 1 . . . . . 37 ARG H . 53096 1 171 . 1 . 1 37 37 ARG C C 13 173.9493863 . . 1 . . . . . 37 ARG C . 53096 1 172 . 1 . 1 37 37 ARG CA C 13 53.71030713 . . 1 . . . . . 37 ARG CA . 53096 1 173 . 1 . 1 37 37 ARG CB C 13 30.07280152 0.000000337 . 1 . . . . . 37 ARG CB . 53096 1 174 . 1 . 1 37 37 ARG N N 15 123.4849082 0.006191429793 . 1 . . . . . 37 ARG N . 53096 1 175 . 1 . 1 38 38 PRO C C 13 177.0050479 . . 1 . . . . . 38 PRO C . 53096 1 176 . 1 . 1 38 38 PRO CA C 13 62.92799684 . . 1 . . . . . 38 PRO CA . 53096 1 177 . 1 . 1 38 38 PRO CB C 13 32.15988515 0.01503310958 . 1 . . . . . 38 PRO CB . 53096 1 178 . 1 . 1 39 39 LEU H H 1 8.575808781 0.00163392444 . 1 . . . . . 39 LEU H . 53096 1 179 . 1 . 1 39 39 LEU C C 13 178.3026276 0.003501103506 . 1 . . . . . 39 LEU C . 53096 1 180 . 1 . 1 39 39 LEU CA C 13 55.75473332 0.002413011247 . 1 . . . . . 39 LEU CA . 53096 1 181 . 1 . 1 39 39 LEU CB C 13 42.1665831 0.02073454089 . 1 . . . . . 39 LEU CB . 53096 1 182 . 1 . 1 39 39 LEU N N 15 122.9919881 0.008687809713 . 1 . . . . . 39 LEU N . 53096 1 183 . 1 . 1 40 40 GLY H H 1 8.55070592 0.002582423094 . 1 . . . . . 40 GLY H . 53096 1 184 . 1 . 1 40 40 GLY C C 13 173.9998342 0.005411537998 . 1 . . . . . 40 GLY C . 53096 1 185 . 1 . 1 40 40 GLY CA C 13 45.17532405 0.00211625198 . 1 . . . . . 40 GLY CA . 53096 1 186 . 1 . 1 40 40 GLY N N 15 109.496356 0.009480140175 . 1 . . . . . 40 GLY N . 53096 1 187 . 1 . 1 41 41 GLU H H 1 8.155714141 0.002262974636 . 1 . . . . . 41 GLU H . 53096 1 188 . 1 . 1 41 41 GLU C C 13 176.3181127 0.003260604538 . 1 . . . . . 41 GLU C . 53096 1 189 . 1 . 1 41 41 GLU CA C 13 56.51989456 0.02415536624 . 1 . . . . . 41 GLU CA . 53096 1 190 . 1 . 1 41 41 GLU CB C 13 30.43271376 0.03045606883 . 1 . . . . . 41 GLU CB . 53096 1 191 . 1 . 1 41 41 GLU N N 15 120.59926 0.01788603679 . 1 . . . . . 41 GLU N . 53096 1 192 . 1 . 1 42 42 VAL H H 1 8.257569323 0.001788854941 . 1 . . . . . 42 VAL H . 53096 1 193 . 1 . 1 42 42 VAL C C 13 175.6701103 0.003216456619 . 1 . . . . . 42 VAL C . 53096 1 194 . 1 . 1 42 42 VAL CA C 13 62.3328298 0.01258550027 . 1 . . . . . 42 VAL CA . 53096 1 195 . 1 . 1 42 42 VAL CB C 13 32.92027514 0.04325442158 . 1 . . . . . 42 VAL CB . 53096 1 196 . 1 . 1 42 42 VAL N N 15 121.9380364 0.007686448273 . 1 . . . . . 42 VAL N . 53096 1 197 . 1 . 1 43 43 TYR H H 1 8.461723483 0.001393830061 . 1 . . . . . 43 TYR H . 53096 1 198 . 1 . 1 43 43 TYR C C 13 175.3598897 0.006983381621 . 1 . . . . . 43 TYR C . 53096 1 199 . 1 . 1 43 43 TYR CA C 13 57.65946274 0.0001931714352 . 1 . . . . . 43 TYR CA . 53096 1 200 . 1 . 1 43 43 TYR CB C 13 38.86065461 0.01125643393 . 1 . . . . . 43 TYR CB . 53096 1 201 . 1 . 1 43 43 TYR N N 15 125.0328741 0.01013740277 . 1 . . . . . 43 TYR N . 53096 1 202 . 1 . 1 44 44 LEU H H 1 8.26109307 0.001212184835 . 1 . . . . . 44 LEU H . 53096 1 203 . 1 . 1 44 44 LEU C C 13 176.4913276 0.008374321203 . 1 . . . . . 44 LEU C . 53096 1 204 . 1 . 1 44 44 LEU CA C 13 54.789571 0.007451874903 . 1 . . . . . 44 LEU CA . 53096 1 205 . 1 . 1 44 44 LEU CB C 13 42.71326006 0.04839624953 . 1 . . . . . 44 LEU CB . 53096 1 206 . 1 . 1 44 44 LEU N N 15 125.3885255 0.01106214103 . 1 . . . . . 44 LEU N . 53096 1 207 . 1 . 1 45 45 ASP H H 1 8.418618293 0.002619876133 . 1 . . . . . 45 ASP H . 53096 1 208 . 1 . 1 45 45 ASP C C 13 176.6140416 0.002515217974 . 1 . . . . . 45 ASP C . 53096 1 209 . 1 . 1 45 45 ASP CA C 13 54.12069208 0.04011155944 . 1 . . . . . 45 ASP CA . 53096 1 210 . 1 . 1 45 45 ASP CB C 13 41.04189679 0.03114892023 . 1 . . . . . 45 ASP CB . 53096 1 211 . 1 . 1 45 45 ASP N N 15 122.2034182 0.01246679471 . 1 . . . . . 45 ASP N . 53096 1 212 . 1 . 1 46 46 SER H H 1 8.485981862 0.001872214645 . 1 . . . . . 46 SER H . 53096 1 213 . 1 . 1 46 46 SER C C 13 174.7634009 0.01567686937 . 1 . . . . . 46 SER C . 53096 1 214 . 1 . 1 46 46 SER CA C 13 58.7049193 . . 1 . . . . . 46 SER CA . 53096 1 215 . 1 . 1 46 46 SER CB C 13 63.46378337 0.09872924086 . 1 . . . . . 46 SER CB . 53096 1 216 . 1 . 1 46 46 SER N N 15 117.944636 0.009818962033 . 1 . . . . . 46 SER N . 53096 1 217 . 1 . 1 47 47 SER C C 13 174.0832717 . . 1 . . . . . 47 SER C . 53096 1 218 . 1 . 1 47 47 SER CA C 13 59.01480546 . . 1 . . . . . 47 SER CA . 53096 1 219 . 1 . 1 47 47 SER CB C 13 63.84372229 . . 1 . . . . . 47 SER CB . 53096 1 220 . 1 . 1 48 48 LYS H H 1 8.088203217 0.001453123682 . 1 . . . . . 48 LYS H . 53096 1 221 . 1 . 1 48 48 LYS CA C 13 54.05868105 . . 1 . . . . . 48 LYS CA . 53096 1 222 . 1 . 1 48 48 LYS CB C 13 32.59273981 . . 1 . . . . . 48 LYS CB . 53096 1 223 . 1 . 1 48 48 LYS N N 15 123.9668085 0.006996672163 . 1 . . . . . 48 LYS N . 53096 1 224 . 1 . 1 49 49 PRO C C 13 176.4981378 . . 1 . . . . . 49 PRO C . 53096 1 225 . 1 . 1 49 49 PRO CA C 13 62.95917028 . . 1 . . . . . 49 PRO CA . 53096 1 226 . 1 . 1 49 49 PRO CB C 13 32.08550635 0.01600811039 . 1 . . . . . 49 PRO CB . 53096 1 227 . 1 . 1 50 50 ALA H H 1 8.514233042 0.0009685640775 . 1 . . . . . 50 ALA H . 53096 1 228 . 1 . 1 50 50 ALA C C 13 177.4382727 0.007848199383 . 1 . . . . . 50 ALA C . 53096 1 229 . 1 . 1 50 50 ALA CA C 13 52.39246317 0.006396155713 . 1 . . . . . 50 ALA CA . 53096 1 230 . 1 . 1 50 50 ALA CB C 13 19.19324084 0.007772397015 . 1 . . . . . 50 ALA CB . 53096 1 231 . 1 . 1 50 50 ALA N N 15 125.0240262 0.008776305505 . 1 . . . . . 50 ALA N . 53096 1 232 . 1 . 1 51 51 VAL H H 1 8.108508245 0.001131894433 . 1 . . . . . 51 VAL H . 53096 1 233 . 1 . 1 51 51 VAL C C 13 175.4702541 0.005168242956 . 1 . . . . . 51 VAL C . 53096 1 234 . 1 . 1 51 51 VAL CA C 13 61.957043 0.001859942318 . 1 . . . . . 51 VAL CA . 53096 1 235 . 1 . 1 51 51 VAL CB C 13 33.16065761 0.01523439968 . 1 . . . . . 51 VAL CB . 53096 1 236 . 1 . 1 51 51 VAL N N 15 119.4488913 0.01053180437 . 1 . . . . . 51 VAL N . 53096 1 237 . 1 . 1 52 52 TYR H H 1 8.383168579 0.003124666442 . 1 . . . . . 52 TYR H . 53096 1 238 . 1 . 1 52 52 TYR C C 13 174.7980589 0.005905301378 . 1 . . . . . 52 TYR C . 53096 1 239 . 1 . 1 52 52 TYR CA C 13 57.49143212 0.02736466703 . 1 . . . . . 52 TYR CA . 53096 1 240 . 1 . 1 52 52 TYR CB C 13 39.16926939 0.03774688156 . 1 . . . . . 52 TYR CB . 53096 1 241 . 1 . 1 52 52 TYR N N 15 124.5178948 0.006226602786 . 1 . . . . . 52 TYR N . 53096 1 242 . 1 . 1 53 53 ASN H H 1 8.234677987 0.001307516578 . 1 . . . . . 53 ASN H . 53096 1 243 . 1 . 1 53 53 ASN C C 13 173.7755701 0.002186809935 . 1 . . . . . 53 ASN C . 53096 1 244 . 1 . 1 53 53 ASN CA C 13 52.52626492 0.007239852067 . 1 . . . . . 53 ASN CA . 53096 1 245 . 1 . 1 53 53 ASN CB C 13 39.32745371 0.00133765334 . 1 . . . . . 53 ASN CB . 53096 1 246 . 1 . 1 53 53 ASN N N 15 121.4527514 0.007728666331 . 1 . . . . . 53 ASN N . 53096 1 247 . 1 . 1 54 54 TYR H H 1 8.154728687 0.002408860377 . 1 . . . . . 54 TYR H . 53096 1 248 . 1 . 1 54 54 TYR C C 13 174.0049679 . . 1 . . . . . 54 TYR C . 53096 1 249 . 1 . 1 54 54 TYR CA C 13 56.12261853 . . 1 . . . . . 54 TYR CA . 53096 1 250 . 1 . 1 54 54 TYR CB C 13 37.89401933 . . 1 . . . . . 54 TYR CB . 53096 1 251 . 1 . 1 54 54 TYR N N 15 121.9519228 0.00949077169 . 1 . . . . . 54 TYR N . 53096 1 252 . 1 . 1 55 55 PRO C C 13 176.88526 . . 1 . . . . . 55 PRO C . 53096 1 253 . 1 . 1 55 55 PRO CA C 13 63.28970604 . . 1 . . . . . 55 PRO CA . 53096 1 254 . 1 . 1 55 55 PRO CB C 13 31.95899897 . . 1 . . . . . 55 PRO CB . 53096 1 255 . 1 . 1 56 56 GLU H H 1 8.650707104 0.001125305777 . 1 . . . . . 56 GLU H . 53096 1 256 . 1 . 1 56 56 GLU C C 13 177.2915866 0.004447424566 . 1 . . . . . 56 GLU C . 53096 1 257 . 1 . 1 56 56 GLU CA C 13 57.10416452 0.00277454567 . 1 . . . . . 56 GLU CA . 53096 1 258 . 1 . 1 56 56 GLU CB C 13 30.06214084 0.05513681224 . 1 . . . . . 56 GLU CB . 53096 1 259 . 1 . 1 56 56 GLU N N 15 120.9761749 0.009865563936 . 1 . . . . . 56 GLU N . 53096 1 260 . 1 . 1 57 57 GLY H H 1 8.539702683 0.001336837013 . 1 . . . . . 57 GLY H . 53096 1 261 . 1 . 1 57 57 GLY C C 13 174.0700356 0.003823022817 . 1 . . . . . 57 GLY C . 53096 1 262 . 1 . 1 57 57 GLY CA C 13 45.30447705 0.003144609645 . 1 . . . . . 57 GLY CA . 53096 1 263 . 1 . 1 57 57 GLY N N 15 110.4945066 0.003591659278 . 1 . . . . . 57 GLY N . 53096 1 264 . 1 . 1 58 58 ALA H H 1 8.175449913 0.001415378245 . 1 . . . . . 58 ALA H . 53096 1 265 . 1 . 1 58 58 ALA C C 13 177.5908848 0.03995437605 . 1 . . . . . 58 ALA C . 53096 1 266 . 1 . 1 58 58 ALA CA C 13 52.66972625 0.01000313175 . 1 . . . . . 58 ALA CA . 53096 1 267 . 1 . 1 58 58 ALA CB C 13 19.27251579 . . 1 . . . . . 58 ALA CB . 53096 1 268 . 1 . 1 58 58 ALA N N 15 123.8073707 0.01120747442 . 1 . . . . . 58 ALA N . 53096 1 269 . 1 . 1 59 59 ALA H H 1 8.342368527 0.001260192795 . 1 . . . . . 59 ALA H . 53096 1 270 . 1 . 1 59 59 ALA C C 13 177.5503879 . . 1 . . . . . 59 ALA C . 53096 1 271 . 1 . 1 59 59 ALA CB C 13 18.99241571 0.1258124229 . 1 . . . . . 59 ALA CB . 53096 1 272 . 1 . 1 59 59 ALA N N 15 122.5778017 0.01028141008 . 1 . . . . . 59 ALA N . 53096 1 273 . 1 . 1 60 60 TYR H H 1 8.045217072 0.00123469798 . 1 . . . . . 60 TYR H . 53096 1 274 . 1 . 1 60 60 TYR C C 13 175.8540681 . . 1 . . . . . 60 TYR C . 53096 1 275 . 1 . 1 60 60 TYR CA C 13 58.20962731 . . 1 . . . . . 60 TYR CA . 53096 1 276 . 1 . 1 60 60 TYR CB C 13 38.77128826 . . 1 . . . . . 60 TYR CB . 53096 1 277 . 1 . 1 60 60 TYR N N 15 119.224042 0.01757423428 . 1 . . . . . 60 TYR N . 53096 1 278 . 1 . 1 61 61 GLU C C 13 176.05337 . . 1 . . . . . 61 GLU C . 53096 1 279 . 1 . 1 61 61 GLU CA C 13 56.51461127 . . 1 . . . . . 61 GLU CA . 53096 1 280 . 1 . 1 61 61 GLU CB C 13 30.44489796 . . 1 . . . . . 61 GLU CB . 53096 1 281 . 1 . 1 62 62 PHE H H 1 8.308360238 0.003176088128 . 1 . . . . . 62 PHE H . 53096 1 282 . 1 . 1 62 62 PHE C C 13 175.6164931 . . 1 . . . . . 62 PHE C . 53096 1 283 . 1 . 1 62 62 PHE CA C 13 58.56378795 0.003464814225 . 1 . . . . . 62 PHE CA . 53096 1 284 . 1 . 1 62 62 PHE CB C 13 39.38201346 0.08228668913 . 1 . . . . . 62 PHE CB . 53096 1 285 . 1 . 1 62 62 PHE N N 15 122.1663978 0.01079424936 . 1 . . . . . 62 PHE N . 53096 1 286 . 1 . 1 63 63 ASN H H 1 8.299550105 0.002452734722 . 1 . . . . . 63 ASN H . 53096 1 287 . 1 . 1 63 63 ASN C C 13 175.1790986 0.02194978199 . 1 . . . . . 63 ASN C . 53096 1 288 . 1 . 1 63 63 ASN CA C 13 53.02828838 0.002781755431 . 1 . . . . . 63 ASN CA . 53096 1 289 . 1 . 1 63 63 ASN CB C 13 38.77073317 0.05311141706 . 1 . . . . . 63 ASN CB . 53096 1 290 . 1 . 1 63 63 ASN N N 15 121.6756957 0.01642716957 . 1 . . . . . 63 ASN N . 53096 1 291 . 1 . 1 64 64 ALA H H 1 8.399259635 0.00282749008 . 1 . . . . . 64 ALA H . 53096 1 292 . 1 . 1 64 64 ALA C C 13 178.5466626 0.007831864739 . 1 . . . . . 64 ALA C . 53096 1 293 . 1 . 1 64 64 ALA CA C 13 53.75950243 0.0201341889 . 1 . . . . . 64 ALA CA . 53096 1 294 . 1 . 1 64 64 ALA CB C 13 18.65291147 0.04571191548 . 1 . . . . . 64 ALA CB . 53096 1 295 . 1 . 1 64 64 ALA N N 15 125.6482671 0.007197266905 . 1 . . . . . 64 ALA N . 53096 1 296 . 1 . 1 65 65 ALA H H 1 8.189614405 0.001243500218 . 1 . . . . . 65 ALA H . 53096 1 297 . 1 . 1 65 65 ALA C C 13 178.4554303 0.009731488617 . 1 . . . . . 65 ALA C . 53096 1 298 . 1 . 1 65 65 ALA CA C 13 53.33451422 0.02014715871 . 1 . . . . . 65 ALA CA . 53096 1 299 . 1 . 1 65 65 ALA CB C 13 18.51979023 . . 1 . . . . . 65 ALA CB . 53096 1 300 . 1 . 1 65 65 ALA N N 15 121.9055856 0.00439151832 . 1 . . . . . 65 ALA N . 53096 1 301 . 1 . 1 66 66 ALA H H 1 7.955663293 0.00104458256 . 1 . . . . . 66 ALA H . 53096 1 302 . 1 . 1 66 66 ALA C C 13 178.6430996 0.0001685280408 . 1 . . . . . 66 ALA C . 53096 1 303 . 1 . 1 66 66 ALA CA C 13 53.17588603 0.0133163915 . 1 . . . . . 66 ALA CA . 53096 1 304 . 1 . 1 66 66 ALA CB C 13 18.73452887 0.05437787368 . 1 . . . . . 66 ALA CB . 53096 1 305 . 1 . 1 66 66 ALA N N 15 122.1738945 0.005591075728 . 1 . . . . . 66 ALA N . 53096 1 306 . 1 . 1 67 67 ALA H H 1 8.111195987 0.002075514471 . 1 . . . . . 67 ALA H . 53096 1 307 . 1 . 1 67 67 ALA C C 13 178.4707334 0.0007927322746 . 1 . . . . . 67 ALA C . 53096 1 308 . 1 . 1 67 67 ALA CA C 13 53.20912 . . 1 . . . . . 67 ALA CA . 53096 1 309 . 1 . 1 67 67 ALA CB C 13 18.77719335 0.02415224544 . 1 . . . . . 67 ALA CB . 53096 1 310 . 1 . 1 67 67 ALA N N 15 122.3755228 0.006915584282 . 1 . . . . . 67 ALA N . 53096 1 311 . 1 . 1 68 68 ALA H H 1 8.15086183 0.002341642075 . 1 . . . . . 68 ALA H . 53096 1 312 . 1 . 1 68 68 ALA C C 13 178.3292442 0.0056509458 . 1 . . . . . 68 ALA C . 53096 1 313 . 1 . 1 68 68 ALA CA C 13 53.40364322 0.09254487976 . 1 . . . . . 68 ALA CA . 53096 1 314 . 1 . 1 68 68 ALA CB C 13 18.7596746 . . 1 . . . . . 68 ALA CB . 53096 1 315 . 1 . 1 68 68 ALA N N 15 122.1839331 0.01164542021 . 1 . . . . . 68 ALA N . 53096 1 316 . 1 . 1 69 69 ASN H H 1 8.233174584 0.001179619254 . 1 . . . . . 69 ASN H . 53096 1 317 . 1 . 1 69 69 ASN C C 13 175.2948957 0.009647491374 . 1 . . . . . 69 ASN C . 53096 1 318 . 1 . 1 69 69 ASN CA C 13 53.49028956 0.006313888879 . 1 . . . . . 69 ASN CA . 53096 1 319 . 1 . 1 69 69 ASN CB C 13 38.70590182 0.02044424976 . 1 . . . . . 69 ASN CB . 53096 1 320 . 1 . 1 69 69 ASN N N 15 116.9734476 0.009935358889 . 1 . . . . . 69 ASN N . 53096 1 321 . 1 . 1 70 70 ALA H H 1 8.117930308 0.001915033516 . 1 . . . . . 70 ALA H . 53096 1 322 . 1 . 1 70 70 ALA C C 13 177.9318478 0.005907350323 . 1 . . . . . 70 ALA C . 53096 1 323 . 1 . 1 70 70 ALA CA C 13 52.99618316 0.01605047395 . 1 . . . . . 70 ALA CA . 53096 1 324 . 1 . 1 70 70 ALA CB C 13 19.03957286 0.004701538828 . 1 . . . . . 70 ALA CB . 53096 1 325 . 1 . 1 70 70 ALA N N 15 123.5018027 0.009972629189 . 1 . . . . . 70 ALA N . 53096 1 326 . 1 . 1 71 71 GLN H H 1 8.248498091 0.0006129830808 . 1 . . . . . 71 GLN H . 53096 1 327 . 1 . 1 71 71 GLN C C 13 175.9903982 0.00154107868 . 1 . . . . . 71 GLN C . 53096 1 328 . 1 . 1 71 71 GLN CA C 13 56.13160217 0.001185799389 . 1 . . . . . 71 GLN CA . 53096 1 329 . 1 . 1 71 71 GLN CB C 13 29.20095377 0.0371011437 . 1 . . . . . 71 GLN CB . 53096 1 330 . 1 . 1 71 71 GLN N N 15 119.0568609 0.0135518625 . 1 . . . . . 71 GLN N . 53096 1 331 . 1 . 1 72 72 VAL H H 1 8.053924032 0.001580112599 . 1 . . . . . 72 VAL H . 53096 1 332 . 1 . 1 72 72 VAL C C 13 176.0692007 . . 1 . . . . . 72 VAL C . 53096 1 333 . 1 . 1 72 72 VAL CA C 13 62.49801077 0.01639496769 . 1 . . . . . 72 VAL CA . 53096 1 334 . 1 . 1 72 72 VAL CB C 13 32.88068516 0.1020485943 . 1 . . . . . 72 VAL CB . 53096 1 335 . 1 . 1 72 72 VAL N N 15 120.822341 0.01652189843 . 1 . . . . . 72 VAL N . 53096 1 336 . 1 . 1 73 73 TYR H H 1 8.413429142 0.002337269988 . 1 . . . . . 73 TYR H . 53096 1 337 . 1 . 1 73 73 TYR C C 13 176.6087492 0.001689112025 . 1 . . . . . 73 TYR C . 53096 1 338 . 1 . 1 73 73 TYR CA C 13 58.2634154 0.01941178868 . 1 . . . . . 73 TYR CA . 53096 1 339 . 1 . 1 73 73 TYR CB C 13 38.85359297 0.01995263171 . 1 . . . . . 73 TYR CB . 53096 1 340 . 1 . 1 73 73 TYR N N 15 123.5775805 0.006613753593 . 1 . . . . . 73 TYR N . 53096 1 341 . 1 . 1 74 74 GLY H H 1 8.388162277 0.001222952176 . 1 . . . . . 74 GLY H . 53096 1 342 . 1 . 1 74 74 GLY C C 13 174.219984 0.005961397937 . 1 . . . . . 74 GLY C . 53096 1 343 . 1 . 1 74 74 GLY CA C 13 45.2890766 0.02087512955 . 1 . . . . . 74 GLY CA . 53096 1 344 . 1 . 1 74 74 GLY N N 15 110.6414597 0.01081302116 . 1 . . . . . 74 GLY N . 53096 1 345 . 1 . 1 75 75 GLN H H 1 8.344701338 0.002729413275 . 1 . . . . . 75 GLN H . 53096 1 346 . 1 . 1 75 75 GLN C C 13 176.4829963 0.007528909321 . 1 . . . . . 75 GLN C . 53096 1 347 . 1 . 1 75 75 GLN CA C 13 56.07421007 0.01907509311 . 1 . . . . . 75 GLN CA . 53096 1 348 . 1 . 1 75 75 GLN CB C 13 29.58375476 0.04811237511 . 1 . . . . . 75 GLN CB . 53096 1 349 . 1 . 1 75 75 GLN N N 15 119.72774 0.01619513096 . 1 . . . . . 75 GLN N . 53096 1 350 . 1 . 1 76 76 THR H H 1 8.344915289 0.002586034094 . 1 . . . . . 76 THR H . 53096 1 351 . 1 . 1 76 76 THR C C 13 175.1121263 0.009584224566 . 1 . . . . . 76 THR C . 53096 1 352 . 1 . 1 76 76 THR CA C 13 62.04970732 0.1081183828 . 1 . . . . . 76 THR CA . 53096 1 353 . 1 . 1 76 76 THR CB C 13 69.87558912 0.01502604335 . 1 . . . . . 76 THR CB . 53096 1 354 . 1 . 1 76 76 THR N N 15 114.1084976 0.01839379109 . 1 . . . . . 76 THR N . 53096 1 355 . 1 . 1 77 77 GLY H H 1 8.467721458 0.002642516677 . 1 . . . . . 77 GLY H . 53096 1 356 . 1 . 1 77 77 GLY C C 13 173.6286638 0.0006725858687 . 1 . . . . . 77 GLY C . 53096 1 357 . 1 . 1 77 77 GLY CA C 13 45.16889168 0.01030580409 . 1 . . . . . 77 GLY CA . 53096 1 358 . 1 . 1 77 77 GLY N N 15 110.9564787 0.01089173413 . 1 . . . . . 77 GLY N . 53096 1 359 . 1 . 1 78 78 LEU H H 1 8.173563189 0.001745697755 . 1 . . . . . 78 LEU H . 53096 1 360 . 1 . 1 78 78 LEU C C 13 175.4615894 . . 1 . . . . . 78 LEU C . 53096 1 361 . 1 . 1 78 78 LEU CA C 13 52.83120564 . . 1 . . . . . 78 LEU CA . 53096 1 362 . 1 . 1 78 78 LEU CB C 13 41.637393 0 . 1 . . . . . 78 LEU CB . 53096 1 363 . 1 . 1 78 78 LEU N N 15 122.5946321 0.002024159752 . 1 . . . . . 78 LEU N . 53096 1 364 . 1 . 1 79 79 PRO C C 13 176.3049497 . . 1 . . . . . 79 PRO C . 53096 1 365 . 1 . 1 79 79 PRO CA C 13 63.15070875 . . 1 . . . . . 79 PRO CA . 53096 1 366 . 1 . 1 79 79 PRO CB C 13 31.65950366 0.07739885998 . 1 . . . . . 79 PRO CB . 53096 1 367 . 1 . 1 80 80 TYR H H 1 8.151722946 0.002607751383 . 1 . . . . . 80 TYR H . 53096 1 368 . 1 . 1 80 80 TYR C C 13 175.8344015 0.002323056675 . 1 . . . . . 80 TYR C . 53096 1 369 . 1 . 1 80 80 TYR CA C 13 57.44310541 0.02437828015 . 1 . . . . . 80 TYR CA . 53096 1 370 . 1 . 1 80 80 TYR CB C 13 38.97731548 0.01292809855 . 1 . . . . . 80 TYR CB . 53096 1 371 . 1 . 1 80 80 TYR N N 15 119.5877424 0.0154592261 . 1 . . . . . 80 TYR N . 53096 1 372 . 1 . 1 81 81 GLY H H 1 8.2049762 0.001300221885 . 1 . . . . . 81 GLY H . 53096 1 373 . 1 . 1 81 81 GLY C C 13 171.628 . . 1 . . . . . 81 GLY C . 53096 1 374 . 1 . 1 81 81 GLY CA C 13 44.54962464 . . 1 . . . . . 81 GLY CA . 53096 1 375 . 1 . 1 81 81 GLY N N 15 110.4854787 0.01898163408 . 1 . . . . . 81 GLY N . 53096 1 376 . 1 . 1 82 82 PRO C C 13 177.8814731 . . 1 . . . . . 82 PRO C . 53096 1 377 . 1 . 1 82 82 PRO CA C 13 63.71150469 . . 1 . . . . . 82 PRO CA . 53096 1 378 . 1 . 1 82 82 PRO CB C 13 31.94282384 0 . 1 . . . . . 82 PRO CB . 53096 1 379 . 1 . 1 83 83 GLY H H 1 8.820559925 0.0013467388 . 1 . . . . . 83 GLY H . 53096 1 380 . 1 . 1 83 83 GLY C C 13 174.6715651 0.003084269436 . 1 . . . . . 83 GLY C . 53096 1 381 . 1 . 1 83 83 GLY CA C 13 45.32229169 0.002705213148 . 1 . . . . . 83 GLY CA . 53096 1 382 . 1 . 1 83 83 GLY N N 15 110.9043305 0.007422337475 . 1 . . . . . 83 GLY N . 53096 1 383 . 1 . 1 84 84 SER H H 1 8.217116423 0.003143826211 . 1 . . . . . 84 SER H . 53096 1 384 . 1 . 1 84 84 SER C C 13 174.8901705 0.007083843777 . 1 . . . . . 84 SER C . 53096 1 385 . 1 . 1 84 84 SER CA C 13 58.90309419 0.04094026161 . 1 . . . . . 84 SER CA . 53096 1 386 . 1 . 1 84 84 SER CB C 13 63.92558821 0.0006699509468 . 1 . . . . . 84 SER CB . 53096 1 387 . 1 . 1 84 84 SER N N 15 115.8944888 0.01504456724 . 1 . . . . . 84 SER N . 53096 1 388 . 1 . 1 85 85 GLU H H 1 8.769209256 0.002934469768 . 1 . . . . . 85 GLU H . 53096 1 389 . 1 . 1 85 85 GLU C C 13 176.6968022 0.006015959914 . 1 . . . . . 85 GLU C . 53096 1 390 . 1 . 1 85 85 GLU CA C 13 57.26987843 0.04044523361 . 1 . . . . . 85 GLU CA . 53096 1 391 . 1 . 1 85 85 GLU CB C 13 29.72730184 0.02913566586 . 1 . . . . . 85 GLU CB . 53096 1 392 . 1 . 1 85 85 GLU N N 15 122.9856882 0.01270032346 . 1 . . . . . 85 GLU N . 53096 1 393 . 1 . 1 86 86 ALA H H 1 8.294965662 0.001184049519 . 1 . . . . . 86 ALA H . 53096 1 394 . 1 . 1 86 86 ALA C C 13 177.9877067 0.00426475605 . 1 . . . . . 86 ALA C . 53096 1 395 . 1 . 1 86 86 ALA CA C 13 52.73023969 0.08947648589 . 1 . . . . . 86 ALA CA . 53096 1 396 . 1 . 1 86 86 ALA CB C 13 18.98782424 0.002363357679 . 1 . . . . . 86 ALA CB . 53096 1 397 . 1 . 1 86 86 ALA N N 15 124.1906742 0.01349216616 . 1 . . . . . 86 ALA N . 53096 1 398 . 1 . 1 87 87 ALA H H 1 8.15616295 0.008942597024 . 1 . . . . . 87 ALA H . 53096 1 399 . 1 . 1 87 87 ALA C C 13 177.7304959 . . 1 . . . . . 87 ALA C . 53096 1 400 . 1 . 1 87 87 ALA N N 15 122.6268806 0.0174174163 . 1 . . . . . 87 ALA N . 53096 1 401 . 1 . 1 89 89 PHE C C 13 176.3966961 . . 1 . . . . . 89 PHE C . 53096 1 402 . 1 . 1 89 89 PHE CA C 13 58.05448045 . . 1 . . . . . 89 PHE CA . 53096 1 403 . 1 . 1 89 89 PHE CB C 13 39.61412279 . . 1 . . . . . 89 PHE CB . 53096 1 404 . 1 . 1 90 90 GLY H H 1 8.340328743 0.001227510708 . 1 . . . . . 90 GLY H . 53096 1 405 . 1 . 1 90 90 GLY C C 13 173.764559 0.002930663364 . 1 . . . . . 90 GLY C . 53096 1 406 . 1 . 1 90 90 GLY CA C 13 45.18694843 0.002038566297 . 1 . . . . . 90 GLY CA . 53096 1 407 . 1 . 1 90 90 GLY N N 15 110.9392612 0.01049398336 . 1 . . . . . 90 GLY N . 53096 1 408 . 1 . 1 91 91 SER H H 1 8.220690286 0.001046523837 . 1 . . . . . 91 SER H . 53096 1 409 . 1 . 1 91 91 SER C C 13 173.4244731 0 . 1 . . . . . 91 SER C . 53096 1 410 . 1 . 1 91 91 SER CA C 13 58.24535194 . . 1 . . . . . 91 SER CA . 53096 1 411 . 1 . 1 91 91 SER CB C 13 64.17476818 . . 1 . . . . . 91 SER CB . 53096 1 412 . 1 . 1 91 91 SER N N 15 115.6722138 0.009303417669 . 1 . . . . . 91 SER N . 53096 1 413 . 1 . 1 93 93 GLY H H 1 8.395823278 0.001252015579 . 1 . . . . . 93 GLY H . 53096 1 414 . 1 . 1 93 93 GLY C C 13 174.7140085 0.003675281657 . 1 . . . . . 93 GLY C . 53096 1 415 . 1 . 1 93 93 GLY CA C 13 45.50545423 0.01240657543 . 1 . . . . . 93 GLY CA . 53096 1 416 . 1 . 1 93 93 GLY N N 15 114.430916 0.004729291416 . 1 . . . . . 93 GLY N . 53096 1 417 . 1 . 1 94 94 LEU H H 1 8.459220443 0.001671566333 . 1 . . . . . 94 LEU H . 53096 1 418 . 1 . 1 94 94 LEU C C 13 178.2626428 0.06104563191 . 1 . . . . . 94 LEU C . 53096 1 419 . 1 . 1 94 94 LEU CA C 13 55.25081187 0.02172311641 . 1 . . . . . 94 LEU CA . 53096 1 420 . 1 . 1 94 94 LEU CB C 13 42.20201872 0.009080585107 . 1 . . . . . 94 LEU CB . 53096 1 421 . 1 . 1 94 94 LEU N N 15 121.6236664 0.01796294944 . 1 . . . . . 94 LEU N . 53096 1 422 . 1 . 1 95 95 GLY H H 1 8.558714912 0.003313609669 . 1 . . . . . 95 GLY H . 53096 1 423 . 1 . 1 95 95 GLY C C 13 174.4072307 0.007686444368 . 1 . . . . . 95 GLY C . 53096 1 424 . 1 . 1 95 95 GLY CA C 13 45.35482621 0.004021052375 . 1 . . . . . 95 GLY CA . 53096 1 425 . 1 . 1 95 95 GLY N N 15 109.6118947 0.01503391327 . 1 . . . . . 95 GLY N . 53096 1 426 . 1 . 1 96 96 GLY H H 1 8.197203123 0.002278256491 . 1 . . . . . 96 GLY H . 53096 1 427 . 1 . 1 96 96 GLY C C 13 173.3989745 0.009179615403 . 1 . . . . . 96 GLY C . 53096 1 428 . 1 . 1 96 96 GLY CA C 13 44.79262405 0.0409284629 . 1 . . . . . 96 GLY CA . 53096 1 429 . 1 . 1 96 96 GLY N N 15 108.1348904 0.00651890509 . 1 . . . . . 96 GLY N . 53096 1 430 . 1 . 1 97 97 PHE H H 1 8.145300189 0.001297512011 . 1 . . . . . 97 PHE H . 53096 1 431 . 1 . 1 97 97 PHE CA C 13 55.81198607 . . 1 . . . . . 97 PHE CA . 53096 1 432 . 1 . 1 97 97 PHE CB C 13 38.869 0.000000337 . 1 . . . . . 97 PHE CB . 53096 1 433 . 1 . 1 97 97 PHE N N 15 120.5545092 0.02141399134 . 1 . . . . . 97 PHE N . 53096 1 434 . 1 . 1 99 99 PRO C C 13 177.0776454 . . 1 . . . . . 99 PRO C . 53096 1 435 . 1 . 1 99 99 PRO CA C 13 62.77176173 . . 1 . . . . . 99 PRO CA . 53096 1 436 . 1 . 1 99 99 PRO CB C 13 32.04080665 . . 1 . . . . . 99 PRO CB . 53096 1 437 . 1 . 1 100 100 LEU H H 1 8.528250197 0.001407048767 . 1 . . . . . 100 LEU H . 53096 1 438 . 1 . 1 100 100 LEU C C 13 177.4018431 0.001980013462 . 1 . . . . . 100 LEU C . 53096 1 439 . 1 . 1 100 100 LEU CA C 13 55.44440215 0.007519502219 . 1 . . . . . 100 LEU CA . 53096 1 440 . 1 . 1 100 100 LEU CB C 13 42.36309408 0.01791826868 . 1 . . . . . 100 LEU CB . 53096 1 441 . 1 . 1 100 100 LEU N N 15 122.7223435 0.004811522551 . 1 . . . . . 100 LEU N . 53096 1 442 . 1 . 1 101 101 ASN H H 1 8.591231503 0.002782737864 . 1 . . . . . 101 ASN H . 53096 1 443 . 1 . 1 101 101 ASN C C 13 175.0694668 0.0001006205497 . 1 . . . . . 101 ASN C . 53096 1 444 . 1 . 1 101 101 ASN CA C 13 53.23689205 0.06600475684 . 1 . . . . . 101 ASN CA . 53096 1 445 . 1 . 1 101 101 ASN CB C 13 38.80348813 0.03233082297 . 1 . . . . . 101 ASN CB . 53096 1 446 . 1 . 1 101 101 ASN N N 15 119.2168782 0.009381422366 . 1 . . . . . 101 ASN N . 53096 1 447 . 1 . 1 102 102 SER H H 1 8.331746148 0.003916295175 . 1 . . . . . 102 SER H . 53096 1 448 . 1 . 1 102 102 SER C C 13 174.3189075 0.01863076763 . 1 . . . . . 102 SER C . 53096 1 449 . 1 . 1 102 102 SER CA C 13 58.40066082 0.002452244116 . 1 . . . . . 102 SER CA . 53096 1 450 . 1 . 1 102 102 SER CB C 13 63.72269085 0.06325808534 . 1 . . . . . 102 SER CB . 53096 1 451 . 1 . 1 102 102 SER N N 15 116.1110245 0.009136671201 . 1 . . . . . 102 SER N . 53096 1 452 . 1 . 1 103 103 VAL H H 1 8.252860601 0.002410509093 . 1 . . . . . 103 VAL H . 53096 1 453 . 1 . 1 103 103 VAL C C 13 176.1151398 0.005849598201 . 1 . . . . . 103 VAL C . 53096 1 454 . 1 . 1 103 103 VAL CA C 13 62.04451958 0.03570239059 . 1 . . . . . 103 VAL CA . 53096 1 455 . 1 . 1 103 103 VAL CB C 13 32.88127832 0.05804828204 . 1 . . . . . 103 VAL CB . 53096 1 456 . 1 . 1 103 103 VAL N N 15 121.705281 0.01557103609 . 1 . . . . . 103 VAL N . 53096 1 457 . 1 . 1 104 104 SER H H 1 8.549009904 0.001148383509 . 1 . . . . . 104 SER H . 53096 1 458 . 1 . 1 104 104 SER C C 13 172.4262559 . . 1 . . . . . 104 SER C . 53096 1 459 . 1 . 1 104 104 SER CA C 13 56.43995696 . . 1 . . . . . 104 SER CA . 53096 1 460 . 1 . 1 104 104 SER CB C 13 63.26840236 . . 1 . . . . . 104 SER CB . 53096 1 461 . 1 . 1 104 104 SER N N 15 121.6274254 0.01208844084 . 1 . . . . . 104 SER N . 53096 1 462 . 1 . 1 105 105 PRO CA C 13 63.0329983 0.02466006158 . 1 . . . . . 105 PRO CA . 53096 1 463 . 1 . 1 105 105 PRO CB C 13 32.20035062 0 . 1 . . . . . 105 PRO CB . 53096 1 464 . 1 . 1 106 106 SER H H 1 8.499273258 0.003445661141 . 1 . . . . . 106 SER H . 53096 1 465 . 1 . 1 106 106 SER C C 13 174.0955042 0 . 1 . . . . . 106 SER C . 53096 1 466 . 1 . 1 106 106 SER CA C 13 56.40959325 . . 1 . . . . . 106 SER CA . 53096 1 467 . 1 . 1 106 106 SER N N 15 118.0186786 0.01907710594 . 1 . . . . . 106 SER N . 53096 1 468 . 1 . 1 107 107 PRO C C 13 177.081594 . . 1 . . . . . 107 PRO C . 53096 1 469 . 1 . 1 107 107 PRO CA C 13 63.62027648 0.008866097959 . 1 . . . . . 107 PRO CA . 53096 1 470 . 1 . 1 107 107 PRO CB C 13 32.03337985 . . 1 . . . . . 107 PRO CB . 53096 1 471 . 1 . 1 108 108 LEU H H 1 8.260250001 0.001179049252 . 1 . . . . . 108 LEU H . 53096 1 472 . 1 . 1 108 108 LEU C C 13 177.5244681 0.006665158227 . 1 . . . . . 108 LEU C . 53096 1 473 . 1 . 1 108 108 LEU CA C 13 55.62141979 0.07540579748 . 1 . . . . . 108 LEU CA . 53096 1 474 . 1 . 1 108 108 LEU CB C 13 42.20220908 0.09930779965 . 1 . . . . . 108 LEU CB . 53096 1 475 . 1 . 1 108 108 LEU N N 15 121.0674734 0.014239346 . 1 . . . . . 108 LEU N . 53096 1 476 . 1 . 1 109 109 MET H H 1 8.242170478 0.001937212716 . 1 . . . . . 109 MET H . 53096 1 477 . 1 . 1 109 109 MET C C 13 175.9290845 0.00464625938 . 1 . . . . . 109 MET C . 53096 1 478 . 1 . 1 109 109 MET CA C 13 55.32752956 0.03501340142 . 1 . . . . . 109 MET CA . 53096 1 479 . 1 . 1 109 109 MET CB C 13 32.62463362 0.01615886842 . 1 . . . . . 109 MET CB . 53096 1 480 . 1 . 1 109 109 MET N N 15 120.8906955 0.004337177006 . 1 . . . . . 109 MET N . 53096 1 481 . 1 . 1 110 110 LEU H H 1 8.160430248 0.001388214677 . 1 . . . . . 110 LEU H . 53096 1 482 . 1 . 1 110 110 LEU C C 13 176.9043349 0.00892967669 . 1 . . . . . 110 LEU C . 53096 1 483 . 1 . 1 110 110 LEU CB C 13 42.36249772 0.04108230947 . 1 . . . . . 110 LEU CB . 53096 1 484 . 1 . 1 110 110 LEU N N 15 123.1307275 0.01168898189 . 1 . . . . . 110 LEU N . 53096 1 485 . 1 . 1 111 111 LEU H H 1 8.14937669 0.004082368321 . 1 . . . . . 111 LEU H . 53096 1 486 . 1 . 1 111 111 LEU C C 13 176.5656404 0.01017082065 . 1 . . . . . 111 LEU C . 53096 1 487 . 1 . 1 111 111 LEU N N 15 122.4857521 0.005857276354 . 1 . . . . . 111 LEU N . 53096 1 488 . 1 . 1 112 112 HIS H H 1 8.216173053 0.002317923727 . 1 . . . . . 112 HIS H . 53096 1 489 . 1 . 1 112 112 HIS C C 13 172.7555839 . . 1 . . . . . 112 HIS C . 53096 1 490 . 1 . 1 112 112 HIS CA C 13 53.83501481 . . 1 . . . . . 112 HIS CA . 53096 1 491 . 1 . 1 112 112 HIS CB C 13 30.26567374 . . 1 . . . . . 112 HIS CB . 53096 1 492 . 1 . 1 112 112 HIS N N 15 120.6192878 0.005063304924 . 1 . . . . . 112 HIS N . 53096 1 493 . 1 . 1 115 115 PRO C C 13 176.7914652 . . 1 . . . . . 115 PRO C . 53096 1 494 . 1 . 1 115 115 PRO CA C 13 62.96029865 . . 1 . . . . . 115 PRO CA . 53096 1 495 . 1 . 1 115 115 PRO CB C 13 32.11744461 . . 1 . . . . . 115 PRO CB . 53096 1 496 . 1 . 1 116 116 GLN H H 1 8.599065439 0.001928575778 . 1 . . . . . 116 GLN H . 53096 1 497 . 1 . 1 116 116 GLN C C 13 175.8759803 0.000094 . 1 . . . . . 116 GLN C . 53096 1 498 . 1 . 1 116 116 GLN CA C 13 55.56864756 0.004348026756 . 1 . . . . . 116 GLN CA . 53096 1 499 . 1 . 1 116 116 GLN CB C 13 29.51672101 0.02612020413 . 1 . . . . . 116 GLN CB . 53096 1 500 . 1 . 1 116 116 GLN N N 15 120.7030099 0.01223096193 . 1 . . . . . 116 GLN N . 53096 1 501 . 1 . 1 117 117 LEU H H 1 8.472190105 0.0009324345264 . 1 . . . . . 117 LEU H . 53096 1 502 . 1 . 1 117 117 LEU C C 13 177.1066879 0.000092 . 1 . . . . . 117 LEU C . 53096 1 503 . 1 . 1 117 117 LEU CA C 13 54.81587098 0.01560295513 . 1 . . . . . 117 LEU CA . 53096 1 504 . 1 . 1 117 117 LEU CB C 13 42.52526743 0.04914973624 . 1 . . . . . 117 LEU CB . 53096 1 505 . 1 . 1 117 117 LEU N N 15 124.2139369 0.01948478259 . 1 . . . . . 117 LEU N . 53096 1 506 . 1 . 1 118 118 SER H H 1 8.44242484 0.002916631276 . 1 . . . . . 118 SER H . 53096 1 507 . 1 . 1 118 118 SER C C 13 173.2259441 . . 1 . . . . . 118 SER C . 53096 1 508 . 1 . 1 118 118 SER CA C 13 56.25505126 . . 1 . . . . . 118 SER CA . 53096 1 509 . 1 . 1 118 118 SER CB C 13 63.52228215 . . 1 . . . . . 118 SER CB . 53096 1 510 . 1 . 1 118 118 SER N N 15 118.068718 0.01154459729 . 1 . . . . . 118 SER N . 53096 1 511 . 1 . 1 119 119 PRO C C 13 176.5194939 . . 1 . . . . . 119 PRO C . 53096 1 512 . 1 . 1 119 119 PRO CA C 13 63.51300211 . . 1 . . . . . 119 PRO CA . 53096 1 513 . 1 . 1 119 119 PRO CB C 13 31.88033174 . . 1 . . . . . 119 PRO CB . 53096 1 514 . 1 . 1 120 120 PHE H H 1 8.115613401 0.001982117234 . 1 . . . . . 120 PHE H . 53096 1 515 . 1 . 1 120 120 PHE C C 13 175.4583383 . . 1 . . . . . 120 PHE C . 53096 1 516 . 1 . 1 120 120 PHE CA C 13 57.56722782 0.03018539156 . 1 . . . . . 120 PHE CA . 53096 1 517 . 1 . 1 120 120 PHE CB C 13 39.29306783 0.05836326591 . 1 . . . . . 120 PHE CB . 53096 1 518 . 1 . 1 120 120 PHE N N 15 119.2755068 0.004592057006 . 1 . . . . . 120 PHE N . 53096 1 519 . 1 . 1 121 121 LEU H H 1 8.041996101 0.002027823649 . 1 . . . . . 121 LEU H . 53096 1 520 . 1 . 1 121 121 LEU C C 13 176.4259127 0.01208824086 . 1 . . . . . 121 LEU C . 53096 1 521 . 1 . 1 121 121 LEU CA C 13 54.60921214 0.02640754562 . 1 . . . . . 121 LEU CA . 53096 1 522 . 1 . 1 121 121 LEU CB C 13 42.53035167 0.001475737975 . 1 . . . . . 121 LEU CB . 53096 1 523 . 1 . 1 121 121 LEU N N 15 123.8828482 0.02011149018 . 1 . . . . . 121 LEU N . 53096 1 524 . 1 . 1 122 122 GLN H H 1 8.336185401 0.002441638601 . 1 . . . . . 122 GLN H . 53096 1 525 . 1 . 1 122 122 GLN C C 13 174.0410988 . . 1 . . . . . 122 GLN C . 53096 1 526 . 1 . 1 122 122 GLN N N 15 122.5299756 0.01748266164 . 1 . . . . . 122 GLN N . 53096 1 527 . 1 . 1 124 124 HIS C C 13 176.2495111 . . 1 . . . . . 124 HIS C . 53096 1 528 . 1 . 1 124 124 HIS CA C 13 56.57497953 . . 1 . . . . . 124 HIS CA . 53096 1 529 . 1 . 1 125 125 GLY H H 1 8.445260134 0.002441838925 . 1 . . . . . 125 GLY H . 53096 1 530 . 1 . 1 125 125 GLY C C 13 174.0533428 0.01484052412 . 1 . . . . . 125 GLY C . 53096 1 531 . 1 . 1 125 125 GLY CA C 13 45.3549364 0.002776915304 . 1 . . . . . 125 GLY CA . 53096 1 532 . 1 . 1 125 125 GLY N N 15 110.3732417 0.00901454724 . 1 . . . . . 125 GLY N . 53096 1 533 . 1 . 1 126 126 GLN H H 1 8.404178537 0.001256879344 . 1 . . . . . 126 GLN H . 53096 1 534 . 1 . 1 126 126 GLN C C 13 175.880133 0.01023921489 . 1 . . . . . 126 GLN C . 53096 1 535 . 1 . 1 126 126 GLN CA C 13 55.70327443 0.02115039342 . 1 . . . . . 126 GLN CA . 53096 1 536 . 1 . 1 126 126 GLN CB C 13 29.60398465 0.0003913415659 . 1 . . . . . 126 GLN CB . 53096 1 537 . 1 . 1 126 126 GLN N N 15 119.953639 0.009388030132 . 1 . . . . . 126 GLN N . 53096 1 538 . 1 . 1 127 127 GLN H H 1 8.596582413 0.001595550238 . 1 . . . . . 127 GLN H . 53096 1 539 . 1 . 1 127 127 GLN C C 13 175.7891614 0.003309897873 . 1 . . . . . 127 GLN C . 53096 1 540 . 1 . 1 127 127 GLN CA C 13 55.78931934 0.03059765817 . 1 . . . . . 127 GLN CA . 53096 1 541 . 1 . 1 127 127 GLN CB C 13 29.390425 0.0414229198 . 1 . . . . . 127 GLN CB . 53096 1 542 . 1 . 1 127 127 GLN N N 15 122.1047837 0.004440582896 . 1 . . . . . 127 GLN N . 53096 1 543 . 1 . 1 128 128 VAL H H 1 8.350554284 0.001664738479 . 1 . . . . . 128 VAL H . 53096 1 544 . 1 . 1 128 128 VAL C C 13 174.3457118 . . 1 . . . . . 128 VAL C . 53096 1 545 . 1 . 1 128 128 VAL CA C 13 59.90984962 . . 1 . . . . . 128 VAL CA . 53096 1 546 . 1 . 1 128 128 VAL CB C 13 32.6311742 . . 1 . . . . . 128 VAL CB . 53096 1 547 . 1 . 1 128 128 VAL N N 15 123.1691063 0.008199023685 . 1 . . . . . 128 VAL N . 53096 1 548 . 1 . 1 129 129 PRO C C 13 176.1943647 . . 1 . . . . . 129 PRO C . 53096 1 549 . 1 . 1 129 129 PRO CA C 13 63.1043894 . . 1 . . . . . 129 PRO CA . 53096 1 550 . 1 . 1 129 129 PRO CB C 13 31.90696859 0.02967564474 . 1 . . . . . 129 PRO CB . 53096 1 551 . 1 . 1 130 130 TYR H H 1 8.187408834 0.001052753948 . 1 . . . . . 130 TYR H . 53096 1 552 . 1 . 1 130 130 TYR CA C 13 57.98652456 . . 1 . . . . . 130 TYR CA . 53096 1 553 . 1 . 1 130 130 TYR CB C 13 38.88431461 0 . 1 . . . . . 130 TYR CB . 53096 1 554 . 1 . 1 130 130 TYR N N 15 120.4660157 0.003052357078 . 1 . . . . . 130 TYR N . 53096 1 555 . 1 . 1 131 131 TYR C C 13 174.9385565 . . 1 . . . . . 131 TYR C . 53096 1 556 . 1 . 1 131 131 TYR CA C 13 57.48017754 . . 1 . . . . . 131 TYR CA . 53096 1 557 . 1 . 1 131 131 TYR CB C 13 38.97353861 0 . 1 . . . . . 131 TYR CB . 53096 1 558 . 1 . 1 132 132 LEU H H 1 8.061641089 0.001665181655 . 1 . . . . . 132 LEU H . 53096 1 559 . 1 . 1 132 132 LEU C C 13 176.8342238 0.002120620026 . 1 . . . . . 132 LEU C . 53096 1 560 . 1 . 1 132 132 LEU CA C 13 54.78581 0.004320912104 . 1 . . . . . 132 LEU CA . 53096 1 561 . 1 . 1 132 132 LEU CB C 13 42.55425384 0.03682589439 . 1 . . . . . 132 LEU CB . 53096 1 562 . 1 . 1 132 132 LEU N N 15 124.3424069 0.01025786015 . 1 . . . . . 132 LEU N . 53096 1 563 . 1 . 1 133 133 GLU H H 1 8.390711914 0.002183693444 . 1 . . . . . 133 GLU H . 53096 1 564 . 1 . 1 133 133 GLU C C 13 176.1123144 0.002857706055 . 1 . . . . . 133 GLU C . 53096 1 565 . 1 . 1 133 133 GLU CA C 13 56.86382339 0.01406207122 . 1 . . . . . 133 GLU CA . 53096 1 566 . 1 . 1 133 133 GLU CB C 13 30.13412986 0.01174949812 . 1 . . . . . 133 GLU CB . 53096 1 567 . 1 . 1 133 133 GLU N N 15 121.6788113 0.009771933418 . 1 . . . . . 133 GLU N . 53096 1 568 . 1 . 1 134 134 ASN H H 1 8.465784646 0.00262384087 . 1 . . . . . 134 ASN H . 53096 1 569 . 1 . 1 134 134 ASN C C 13 174.7179225 0.01349664031 . 1 . . . . . 134 ASN C . 53096 1 570 . 1 . 1 134 134 ASN CA C 13 53.24285915 0.08658100326 . 1 . . . . . 134 ASN CA . 53096 1 571 . 1 . 1 134 134 ASN CB C 13 38.97855365 0.02920372612 . 1 . . . . . 134 ASN CB . 53096 1 572 . 1 . 1 134 134 ASN N N 15 118.6617166 0.00556094453 . 1 . . . . . 134 ASN N . 53096 1 573 . 1 . 1 135 135 GLU H H 1 8.31672479 0.002531049999 . 1 . . . . . 135 GLU H . 53096 1 574 . 1 . 1 135 135 GLU C C 13 174.6159834 0 . 1 . . . . . 135 GLU C . 53096 1 575 . 1 . 1 135 135 GLU CA C 13 54.48249354 0.00868566707 . 1 . . . . . 135 GLU CA . 53096 1 576 . 1 . 1 135 135 GLU CB C 13 29.73013119 0.000000337 . 1 . . . . . 135 GLU CB . 53096 1 577 . 1 . 1 135 135 GLU N N 15 122.262632 0.01547407155 . 1 . . . . . 135 GLU N . 53096 1 578 . 1 . 1 136 136 PRO C C 13 177.13475 . . 1 . . . . . 136 PRO C . 53096 1 579 . 1 . 1 136 136 PRO CA C 13 63.44126925 . . 1 . . . . . 136 PRO CA . 53096 1 580 . 1 . 1 136 136 PRO CB C 13 32.02818911 . . 1 . . . . . 136 PRO CB . 53096 1 581 . 1 . 1 137 137 SER H H 1 8.576015237 0.001292474775 . 1 . . . . . 137 SER H . 53096 1 582 . 1 . 1 137 137 SER C C 13 175.2542801 0.004954248763 . 1 . . . . . 137 SER C . 53096 1 583 . 1 . 1 137 137 SER CA C 13 58.76374837 0.05644906896 . 1 . . . . . 137 SER CA . 53096 1 584 . 1 . 1 137 137 SER CB C 13 63.7218329 0.02695952255 . 1 . . . . . 137 SER CB . 53096 1 585 . 1 . 1 137 137 SER N N 15 116.1091877 0.01143225153 . 1 . . . . . 137 SER N . 53096 1 586 . 1 . 1 138 138 GLY H H 1 8.477890294 0.002111747646 . 1 . . . . . 138 GLY H . 53096 1 587 . 1 . 1 138 138 GLY C C 13 173.7786816 0.007886383797 . 1 . . . . . 138 GLY C . 53096 1 588 . 1 . 1 138 138 GLY CA C 13 45.26470234 . . 1 . . . . . 138 GLY CA . 53096 1 589 . 1 . 1 138 138 GLY N N 15 110.8313794 0.005218128698 . 1 . . . . . 138 GLY N . 53096 1 590 . 1 . 1 139 139 TYR H H 1 8.123636322 0.001849416111 . 1 . . . . . 139 TYR H . 53096 1 591 . 1 . 1 139 139 TYR C C 13 175.8445358 0.009284263347 . 1 . . . . . 139 TYR C . 53096 1 592 . 1 . 1 139 139 TYR CA C 13 58.04321067 . . 1 . . . . . 139 TYR CA . 53096 1 593 . 1 . 1 139 139 TYR CB C 13 38.89930177 0.004294258366 . 1 . . . . . 139 TYR CB . 53096 1 594 . 1 . 1 139 139 TYR N N 15 120.171077 0.009291885005 . 1 . . . . . 139 TYR N . 53096 1 595 . 1 . 1 140 140 THR H H 1 8.143682535 0.001429726698 . 1 . . . . . 140 THR H . 53096 1 596 . 1 . 1 140 140 THR C C 13 173.9055973 0.002243901432 . 1 . . . . . 140 THR C . 53096 1 597 . 1 . 1 140 140 THR CA C 13 61.71510672 0.04969699261 . 1 . . . . . 140 THR CA . 53096 1 598 . 1 . 1 140 140 THR CB C 13 70.16777717 0.0181684688 . 1 . . . . . 140 THR CB . 53096 1 599 . 1 . 1 140 140 THR N N 15 117.3603645 0.009239163899 . 1 . . . . . 140 THR N . 53096 1 600 . 1 . 1 141 141 VAL H H 1 8.289212937 0.001040368995 . 1 . . . . . 141 VAL H . 53096 1 601 . 1 . 1 141 141 VAL C C 13 176.01224 0.001704678902 . 1 . . . . . 141 VAL C . 53096 1 602 . 1 . 1 141 141 VAL CA C 13 62.50614638 0.01159508872 . 1 . . . . . 141 VAL CA . 53096 1 603 . 1 . 1 141 141 VAL CB C 13 32.51913969 0.01328073939 . 1 . . . . . 141 VAL CB . 53096 1 604 . 1 . 1 141 141 VAL N N 15 123.5221234 0.01335425599 . 1 . . . . . 141 VAL N . 53096 1 605 . 1 . 1 142 142 ARG H H 1 8.511187459 0.001612111395 . 1 . . . . . 142 ARG H . 53096 1 606 . 1 . 1 142 142 ARG C C 13 176.1702449 0.001083258166 . 1 . . . . . 142 ARG C . 53096 1 607 . 1 . 1 142 142 ARG CA C 13 56.02724531 0.05436624568 . 1 . . . . . 142 ARG CA . 53096 1 608 . 1 . 1 142 142 ARG CB C 13 30.97086247 0.05873165672 . 1 . . . . . 142 ARG CB . 53096 1 609 . 1 . 1 142 142 ARG N N 15 125.7074064 0.01565815489 . 1 . . . . . 142 ARG N . 53096 1 610 . 1 . 1 143 143 GLU H H 1 8.575923991 0.001516774844 . 1 . . . . . 143 GLU H . 53096 1 611 . 1 . 1 143 143 GLU C C 13 176.0292142 0.001069978383 . 1 . . . . . 143 GLU C . 53096 1 612 . 1 . 1 143 143 GLU CA C 13 56.51182668 0.01049837424 . 1 . . . . . 143 GLU CA . 53096 1 613 . 1 . 1 143 143 GLU CB C 13 30.27468903 0.02683448959 . 1 . . . . . 143 GLU CB . 53096 1 614 . 1 . 1 143 143 GLU N N 15 122.8613999 0.01053458522 . 1 . . . . . 143 GLU N . 53096 1 615 . 1 . 1 144 144 ALA H H 1 8.514262992 0.001825608748 . 1 . . . . . 144 ALA H . 53096 1 616 . 1 . 1 144 144 ALA C C 13 177.8171951 0.005049482796 . 1 . . . . . 144 ALA C . 53096 1 617 . 1 . 1 144 144 ALA CA C 13 52.50216584 0.01333165924 . 1 . . . . . 144 ALA CA . 53096 1 618 . 1 . 1 144 144 ALA CB C 13 19.52212049 0.1170909507 . 1 . . . . . 144 ALA CB . 53096 1 619 . 1 . 1 144 144 ALA N N 15 125.4438189 0.006661541732 . 1 . . . . . 144 ALA N . 53096 1 620 . 1 . 1 145 145 GLY H H 1 8.266404439 0.001664318978 . 1 . . . . . 145 GLY H . 53096 1 621 . 1 . 1 145 145 GLY C C 13 179.997159 . . 1 . . . . . 145 GLY C . 53096 1 622 . 1 . 1 145 145 GLY CA C 13 44.35555819 0.006330473752 . 1 . . . . . 145 GLY CA . 53096 1 623 . 1 . 1 145 145 GLY N N 15 108.3481596 0.01286437964 . 1 . . . . . 145 GLY N . 53096 1 624 . 1 . 1 147 147 PRO C C 13 176.6013611 . . 1 . . . . . 147 PRO C . 53096 1 625 . 1 . 1 147 147 PRO CA C 13 62.96638437 . . 1 . . . . . 147 PRO CA . 53096 1 626 . 1 . 1 147 147 PRO CB C 13 32.13288124 . . 1 . . . . . 147 PRO CB . 53096 1 627 . 1 . 1 148 148 ALA H H 1 8.466503219 0.001554951775 . 1 . . . . . 148 ALA H . 53096 1 628 . 1 . 1 148 148 ALA C C 13 177.3047938 0.001118430271 . 1 . . . . . 148 ALA C . 53096 1 629 . 1 . 1 148 148 ALA CA C 13 52.51184997 0.05168997951 . 1 . . . . . 148 ALA CA . 53096 1 630 . 1 . 1 148 148 ALA CB C 13 19.22623856 0.002657198285 . 1 . . . . . 148 ALA CB . 53096 1 631 . 1 . 1 148 148 ALA N N 15 123.8227171 0.01256918523 . 1 . . . . . 148 ALA N . 53096 1 632 . 1 . 1 149 149 PHE H H 1 8.125033302 0.002582905971 . 1 . . . . . 149 PHE H . 53096 1 633 . 1 . 1 149 149 PHE C C 13 174.9907869 0.006330060815 . 1 . . . . . 149 PHE C . 53096 1 634 . 1 . 1 149 149 PHE CA C 13 57.56596113 0.03133782406 . 1 . . . . . 149 PHE CA . 53096 1 635 . 1 . 1 149 149 PHE CB C 13 39.7983131 0.07003756382 . 1 . . . . . 149 PHE CB . 53096 1 636 . 1 . 1 149 149 PHE N N 15 118.6188005 0.01526133701 . 1 . . . . . 149 PHE N . 53096 1 637 . 1 . 1 150 150 TYR H H 1 8.185180251 0.001874549374 . 1 . . . . . 150 TYR H . 53096 1 638 . 1 . 1 150 150 TYR CA C 13 57.69455506 . . 1 . . . . . 150 TYR CA . 53096 1 639 . 1 . 1 150 150 TYR CB C 13 39.00973045 0.03864637178 . 1 . . . . . 150 TYR CB . 53096 1 640 . 1 . 1 150 150 TYR N N 15 122.7270332 0.01361932218 . 1 . . . . . 150 TYR N . 53096 1 641 . 1 . 1 151 151 ARG H H 1 8.216740048 0.00217428084 . 1 . . . . . 151 ARG H . 53096 1 642 . 1 . 1 151 151 ARG C C 13 173.4252945 0 . 1 . . . . . 151 ARG C . 53096 1 643 . 1 . 1 151 151 ARG CA C 13 53.24990447 . . 1 . . . . . 151 ARG CA . 53096 1 644 . 1 . 1 151 151 ARG CB C 13 30.72700207 . . 1 . . . . . 151 ARG CB . 53096 1 645 . 1 . 1 151 151 ARG N N 15 125.7585456 0.008646189652 . 1 . . . . . 151 ARG N . 53096 1 646 . 1 . 1 153 153 ASN C C 13 176.6790171 . . 1 . . . . . 153 ASN C . 53096 1 647 . 1 . 1 154 154 SER H H 1 8.218122605 0.002093695647 . 1 . . . . . 154 SER H . 53096 1 648 . 1 . 1 154 154 SER C C 13 173.4413733 . . 1 . . . . . 154 SER C . 53096 1 649 . 1 . 1 154 154 SER CA C 13 58.2062747 . . 1 . . . . . 154 SER CA . 53096 1 650 . 1 . 1 154 154 SER CB C 13 64.15377049 . . 1 . . . . . 154 SER CB . 53096 1 651 . 1 . 1 154 154 SER N N 15 115.6410193 0.01082613453 . 1 . . . . . 154 SER N . 53096 1 652 . 1 . 1 155 155 ASP H H 1 8.240236694 0.002524019563 . 1 . . . . . 155 ASP H . 53096 1 653 . 1 . 1 155 155 ASP C C 13 179.3458971 . . 1 . . . . . 155 ASP C . 53096 1 654 . 1 . 1 155 155 ASP CA C 13 55.01899237 . . 1 . . . . . 155 ASP CA . 53096 1 655 . 1 . 1 155 155 ASP CB C 13 40.81812099 0 . 1 . . . . . 155 ASP CB . 53096 1 656 . 1 . 1 155 155 ASP N N 15 125.7991793 0.009317162822 . 1 . . . . . 155 ASP N . 53096 1 657 . 1 . 1 156 156 ASN C C 13 175.6542453 0 . 1 . . . . . 156 ASN C . 53096 1 658 . 1 . 1 157 157 ARG H H 1 8.332447174 0.003911846505 . 1 . . . . . 157 ARG H . 53096 1 659 . 1 . 1 157 157 ARG C C 13 176.6830674 0.02873426558 . 1 . . . . . 157 ARG C . 53096 1 660 . 1 . 1 157 157 ARG CA C 13 56.81234622 0.00000067 . 1 . . . . . 157 ARG CA . 53096 1 661 . 1 . 1 157 157 ARG CB C 13 30.48379943 0.08240032814 . 1 . . . . . 157 ARG CB . 53096 1 662 . 1 . 1 157 157 ARG N N 15 120.7038112 0 . 1 . . . . . 157 ARG N . 53096 1 663 . 1 . 1 158 158 ARG H H 1 8.407387728 0.002346643228 . 1 . . . . . 158 ARG H . 53096 1 664 . 1 . 1 158 158 ARG C C 13 176.4730665 0.001159297733 . 1 . . . . . 158 ARG C . 53096 1 665 . 1 . 1 158 158 ARG CA C 13 56.31732571 . . 1 . . . . . 158 ARG CA . 53096 1 666 . 1 . 1 158 158 ARG N N 15 121.4725818 0.01440215878 . 1 . . . . . 158 ARG N . 53096 1 667 . 1 . 1 159 159 GLN H H 1 8.564981582 0.00334276769 . 1 . . . . . 159 GLN H . 53096 1 668 . 1 . 1 159 159 GLN C C 13 176.5578414 0.01151924254 . 1 . . . . . 159 GLN C . 53096 1 669 . 1 . 1 159 159 GLN CA C 13 56.34278998 . . 1 . . . . . 159 GLN CA . 53096 1 670 . 1 . 1 159 159 GLN N N 15 121.7530414 0.0200219981 . 1 . . . . . 159 GLN N . 53096 1 671 . 1 . 1 160 160 GLY H H 1 8.63571022 0.003337159134 . 1 . . . . . 160 GLY H . 53096 1 672 . 1 . 1 160 160 GLY C C 13 174.6958468 0.006232185115 . 1 . . . . . 160 GLY C . 53096 1 673 . 1 . 1 160 160 GLY CA C 13 45.43743519 0 . 1 . . . . . 160 GLY CA . 53096 1 674 . 1 . 1 160 160 GLY N N 15 110.6283015 0.0000013 . 1 . . . . . 160 GLY N . 53096 1 675 . 1 . 1 161 161 GLY H H 1 8.476120663 0.001510424042 . 1 . . . . . 161 GLY H . 53096 1 676 . 1 . 1 161 161 GLY C C 13 174.4551796 0.0009894287155 . 1 . . . . . 161 GLY C . 53096 1 677 . 1 . 1 161 161 GLY CA C 13 45.30804779 0.009158787401 . 1 . . . . . 161 GLY CA . 53096 1 678 . 1 . 1 161 161 GLY N N 15 108.9327972 0.00445495215 . 1 . . . . . 161 GLY N . 53096 1 679 . 1 . 1 162 162 ARG H H 1 8.39796568 0.003264252199 . 1 . . . . . 162 ARG H . 53096 1 680 . 1 . 1 162 162 ARG C C 13 176.6154972 0.004752751133 . 1 . . . . . 162 ARG C . 53096 1 681 . 1 . 1 162 162 ARG CA C 13 56.31592336 0.03699336736 . 1 . . . . . 162 ARG CA . 53096 1 682 . 1 . 1 162 162 ARG CB C 13 30.82508816 0.07428303679 . 1 . . . . . 162 ARG CB . 53096 1 683 . 1 . 1 162 162 ARG N N 15 120.5704711 0.02050523138 . 1 . . . . . 162 ARG N . 53096 1 684 . 1 . 1 163 163 GLU H H 1 8.710849096 0.001863410304 . 1 . . . . . 163 GLU H . 53096 1 685 . 1 . 1 163 163 GLU C C 13 176.4984626 0.003989432031 . 1 . . . . . 163 GLU C . 53096 1 686 . 1 . 1 163 163 GLU CA C 13 56.91663414 0.01254831768 . 1 . . . . . 163 GLU CA . 53096 1 687 . 1 . 1 163 163 GLU CB C 13 29.95334154 0.03607227443 . 1 . . . . . 163 GLU CB . 53096 1 688 . 1 . 1 163 163 GLU N N 15 122.0191531 0.007201980482 . 1 . . . . . 163 GLU N . 53096 1 689 . 1 . 1 164 164 ARG H H 1 8.468139496 0.0008235459256 . 1 . . . . . 164 ARG H . 53096 1 690 . 1 . 1 164 164 ARG C C 13 176.2558909 0.003533331296 . 1 . . . . . 164 ARG C . 53096 1 691 . 1 . 1 164 164 ARG CA C 13 56.1510077 0.01949770575 . 1 . . . . . 164 ARG CA . 53096 1 692 . 1 . 1 164 164 ARG CB C 13 30.70844326 0.01485738466 . 1 . . . . . 164 ARG CB . 53096 1 693 . 1 . 1 164 164 ARG N N 15 122.5072715 0.003722055366 . 1 . . . . . 164 ARG N . 53096 1 694 . 1 . 1 165 165 LEU H H 1 8.392443762 0.002598626293 . 1 . . . . . 165 LEU H . 53096 1 695 . 1 . 1 165 165 LEU C C 13 177.2031249 0.000280950576 . 1 . . . . . 165 LEU C . 53096 1 696 . 1 . 1 165 165 LEU CA C 13 54.94614551 0.02565650987 . 1 . . . . . 165 LEU CA . 53096 1 697 . 1 . 1 165 165 LEU CB C 13 42.37260475 0.01158299182 . 1 . . . . . 165 LEU CB . 53096 1 698 . 1 . 1 165 165 LEU N N 15 123.9350786 0.01486655066 . 1 . . . . . 165 LEU N . 53096 1 699 . 1 . 1 166 166 ALA H H 1 8.461514378 0.005403131892 . 1 . . . . . 166 ALA H . 53096 1 700 . 1 . 1 166 166 ALA C C 13 177.8515424 0.006236920662 . 1 . . . . . 166 ALA C . 53096 1 701 . 1 . 1 166 166 ALA CA C 13 52.60093965 0.01055044457 . 1 . . . . . 166 ALA CA . 53096 1 702 . 1 . 1 166 166 ALA CB C 13 19.23836942 . . 1 . . . . . 166 ALA CB . 53096 1 703 . 1 . 1 166 166 ALA N N 15 125.2716226 0.006720814578 . 1 . . . . . 166 ALA N . 53096 1 704 . 1 . 1 167 167 SER H H 1 8.458390025 0.003035794731 . 1 . . . . . 167 SER H . 53096 1 705 . 1 . 1 167 167 SER C C 13 175.058777 0.00457304446 . 1 . . . . . 167 SER C . 53096 1 706 . 1 . 1 167 167 SER CA C 13 58.14476501 . . 1 . . . . . 167 SER CA . 53096 1 707 . 1 . 1 167 167 SER CB C 13 63.8126405 0 . 1 . . . . . 167 SER CB . 53096 1 708 . 1 . 1 167 167 SER N N 15 115.3329918 0.005329789269 . 1 . . . . . 167 SER N . 53096 1 709 . 1 . 1 168 168 THR H H 1 8.317658533 0.005645416296 . 1 . . . . . 168 THR H . 53096 1 710 . 1 . 1 168 168 THR C C 13 174.45773 0.03910050848 . 1 . . . . . 168 THR C . 53096 1 711 . 1 . 1 168 168 THR CA C 13 62.03935507 . . 1 . . . . . 168 THR CA . 53096 1 712 . 1 . 1 168 168 THR N N 15 115.6442412 0.004399279051 . 1 . . . . . 168 THR N . 53096 1 713 . 1 . 1 169 169 ASN H H 1 8.504046184 0.001084418398 . 1 . . . . . 169 ASN H . 53096 1 714 . 1 . 1 169 169 ASN C C 13 174.9548106 0.004357430939 . 1 . . . . . 169 ASN C . 53096 1 715 . 1 . 1 169 169 ASN CA C 13 53.21638768 0.08222236903 . 1 . . . . . 169 ASN CA . 53096 1 716 . 1 . 1 169 169 ASN CB C 13 38.73302234 0.09647281358 . 1 . . . . . 169 ASN CB . 53096 1 717 . 1 . 1 169 169 ASN N N 15 120.555956 0.002155088313 . 1 . . . . . 169 ASN N . 53096 1 718 . 1 . 1 170 170 ASP H H 1 8.359378243 0.002007879536 . 1 . . . . . 170 ASP H . 53096 1 719 . 1 . 1 170 170 ASP C C 13 176.5679417 0.006662793041 . 1 . . . . . 170 ASP C . 53096 1 720 . 1 . 1 170 170 ASP CA C 13 54.46349352 0.006405067413 . 1 . . . . . 170 ASP CA . 53096 1 721 . 1 . 1 170 170 ASP CB C 13 41.12972016 0.002256254871 . 1 . . . . . 170 ASP CB . 53096 1 722 . 1 . 1 170 170 ASP N N 15 121.1295983 0.009445607172 . 1 . . . . . 170 ASP N . 53096 1 723 . 1 . 1 171 171 LYS H H 1 8.478195438 0.00218621164 . 1 . . . . . 171 LYS H . 53096 1 724 . 1 . 1 171 171 LYS C C 13 177.5409687 0.004776849458 . 1 . . . . . 171 LYS C . 53096 1 725 . 1 . 1 171 171 LYS CA C 13 56.80318971 0.07329229589 . 1 . . . . . 171 LYS CA . 53096 1 726 . 1 . 1 171 171 LYS CB C 13 32.62884813 0.02196600398 . 1 . . . . . 171 LYS CB . 53096 1 727 . 1 . 1 171 171 LYS N N 15 121.9295034 0.009889967387 . 1 . . . . . 171 LYS N . 53096 1 728 . 1 . 1 172 172 GLY H H 1 8.524671081 0.005166921742 . 1 . . . . . 172 GLY H . 53096 1 729 . 1 . 1 172 172 GLY C C 13 174.5115415 0.006496004392 . 1 . . . . . 172 GLY C . 53096 1 730 . 1 . 1 172 172 GLY CA C 13 45.40801781 0.040965763 . 1 . . . . . 172 GLY CA . 53096 1 731 . 1 . 1 172 172 GLY N N 15 109.5079355 0.005146363815 . 1 . . . . . 172 GLY N . 53096 1 732 . 1 . 1 173 173 SER H H 1 8.29202998 0.00366467923 . 1 . . . . . 173 SER H . 53096 1 733 . 1 . 1 173 173 SER C C 13 174.9490907 0.0229734716 . 1 . . . . . 173 SER C . 53096 1 734 . 1 . 1 173 173 SER CA C 13 58.68540112 . . 1 . . . . . 173 SER CA . 53096 1 735 . 1 . 1 173 173 SER CB C 13 63.82575539 0 . 1 . . . . . 173 SER CB . 53096 1 736 . 1 . 1 173 173 SER N N 15 115.8868537 0.00261373407 . 1 . . . . . 173 SER N . 53096 1 737 . 1 . 1 174 174 MET H H 1 8.485634674 0.004953077284 . 1 . . . . . 174 MET H . 53096 1 738 . 1 . 1 174 174 MET C C 13 176.2518524 0.01843412708 . 1 . . . . . 174 MET C . 53096 1 739 . 1 . 1 174 174 MET CA C 13 55.70672467 . . 1 . . . . . 174 MET CA . 53096 1 740 . 1 . 1 174 174 MET CB C 13 32.71353686 0.02876111816 . 1 . . . . . 174 MET CB . 53096 1 741 . 1 . 1 174 174 MET N N 15 122.2708362 0.0102549036 . 1 . . . . . 174 MET N . 53096 1 742 . 1 . 1 175 175 ALA H H 1 8.34004626 0.00180237312 . 1 . . . . . 175 ALA H . 53096 1 743 . 1 . 1 175 175 ALA C C 13 177.9721578 0.0005570698953 . 1 . . . . . 175 ALA C . 53096 1 744 . 1 . 1 175 175 ALA CA C 13 52.7932571 0.0167027085 . 1 . . . . . 175 ALA CA . 53096 1 745 . 1 . 1 175 175 ALA CB C 13 19.0221583 0.03870681563 . 1 . . . . . 175 ALA CB . 53096 1 746 . 1 . 1 175 175 ALA N N 15 124.948079 0.00684002864 . 1 . . . . . 175 ALA N . 53096 1 747 . 1 . 1 176 176 MET H H 1 8.40886699 0.001731105861 . 1 . . . . . 176 MET H . 53096 1 748 . 1 . 1 176 176 MET C C 13 176.6928115 0.001210313031 . 1 . . . . . 176 MET C . 53096 1 749 . 1 . 1 176 176 MET CA C 13 55.61980484 0.01071180675 . 1 . . . . . 176 MET CA . 53096 1 750 . 1 . 1 176 176 MET CB C 13 32.81441283 0.03824968959 . 1 . . . . . 176 MET CB . 53096 1 751 . 1 . 1 176 176 MET N N 15 119.772462 0.01251368863 . 1 . . . . . 176 MET N . 53096 1 752 . 1 . 1 177 177 GLU H H 1 8.548105715 0.001498236783 . 1 . . . . . 177 GLU H . 53096 1 753 . 1 . 1 177 177 GLU C C 13 176.8319846 0.007760339213 . 1 . . . . . 177 GLU C . 53096 1 754 . 1 . 1 177 177 GLU CA C 13 56.89569282 0.006512913906 . 1 . . . . . 177 GLU CA . 53096 1 755 . 1 . 1 177 177 GLU CB C 13 30.21922253 0.02382832823 . 1 . . . . . 177 GLU CB . 53096 1 756 . 1 . 1 177 177 GLU N N 15 122.3652906 0.008224091737 . 1 . . . . . 177 GLU N . 53096 1 757 . 1 . 1 178 178 SER H H 1 8.463179064 0.001812260192 . 1 . . . . . 178 SER H . 53096 1 758 . 1 . 1 178 178 SER C C 13 174.4441473 0.001410629711 . 1 . . . . . 178 SER C . 53096 1 759 . 1 . 1 178 178 SER CA C 13 58.58536033 . . 1 . . . . . 178 SER CA . 53096 1 760 . 1 . 1 178 178 SER CB C 13 63.75129261 0.01352085115 . 1 . . . . . 178 SER CB . 53096 1 761 . 1 . 1 178 178 SER N N 15 117.139309 0.01241268998 . 1 . . . . . 178 SER N . 53096 1 762 . 1 . 1 179 179 ALA H H 1 8.409792273 0.001698751625 . 1 . . . . . 179 ALA H . 53096 1 763 . 1 . 1 179 179 ALA C C 13 177.8510929 0.006098802356 . 1 . . . . . 179 ALA C . 53096 1 764 . 1 . 1 179 179 ALA CA C 13 52.65986729 . . 1 . . . . . 179 ALA CA . 53096 1 765 . 1 . 1 179 179 ALA CB C 13 19.06880468 0.01344907774 . 1 . . . . . 179 ALA CB . 53096 1 766 . 1 . 1 179 179 ALA N N 15 125.9845107 0.01312350128 . 1 . . . . . 179 ALA N . 53096 1 767 . 1 . 1 180 180 LYS H H 1 8.328400688 0.001315675735 . 1 . . . . . 180 LYS H . 53096 1 768 . 1 . 1 180 180 LYS C C 13 176.6869114 0.000404812 . 1 . . . . . 180 LYS C . 53096 1 769 . 1 . 1 180 180 LYS CA C 13 56.58793001 0.06359211665 . 1 . . . . . 180 LYS CA . 53096 1 770 . 1 . 1 180 180 LYS CB C 13 33.08728053 0.02044749526 . 1 . . . . . 180 LYS CB . 53096 1 771 . 1 . 1 180 180 LYS N N 15 120.6974283 0.01251313261 . 1 . . . . . 180 LYS N . 53096 1 772 . 1 . 1 181 181 GLU H H 1 8.50148366 0.001076847199 . 1 . . . . . 181 GLU H . 53096 1 773 . 1 . 1 181 181 GLU C C 13 176.4789521 0.004370470789 . 1 . . . . . 181 GLU C . 53096 1 774 . 1 . 1 181 181 GLU CA C 13 56.49633385 0.001643704095 . 1 . . . . . 181 GLU CA . 53096 1 775 . 1 . 1 181 181 GLU CB C 13 30.33779953 0.03859104368 . 1 . . . . . 181 GLU CB . 53096 1 776 . 1 . 1 181 181 GLU N N 15 122.0162895 0.005794500504 . 1 . . . . . 181 GLU N . 53096 1 777 . 1 . 1 182 182 THR H H 1 8.335053263 0.002445678595 . 1 . . . . . 182 THR H . 53096 1 778 . 1 . 1 182 182 THR C C 13 174.058773 0.0148128046 . 1 . . . . . 182 THR C . 53096 1 779 . 1 . 1 182 182 THR CA C 13 62.02045574 0.05541093703 . 1 . . . . . 182 THR CA . 53096 1 780 . 1 . 1 182 182 THR CB C 13 69.79755371 0.003305799736 . 1 . . . . . 182 THR CB . 53096 1 781 . 1 . 1 182 182 THR N N 15 117.0050762 0.0122706026 . 1 . . . . . 182 THR N . 53096 1 782 . 1 . 1 183 183 ARG H H 1 8.46261907 0.002088397226 . 1 . . . . . 183 ARG H . 53096 1 783 . 1 . 1 183 183 ARG C C 13 174.8739569 0.003675831972 . 1 . . . . . 183 ARG C . 53096 1 784 . 1 . 1 183 183 ARG CA C 13 55.89564123 0.002922263602 . 1 . . . . . 183 ARG CA . 53096 1 785 . 1 . 1 183 183 ARG CB C 13 30.94566094 0.0009046902234 . 1 . . . . . 183 ARG CB . 53096 1 786 . 1 . 1 183 183 ARG N N 15 124.6508531 0.007213335824 . 1 . . . . . 183 ARG N . 53096 1 787 . 1 . 1 184 184 TYR H H 1 7.89622087 0.001036538952 . 1 . . . . . 184 TYR H . 53096 1 788 . 1 . 1 184 184 TYR CA C 13 59.13273456 0.009399736657 . 1 . . . . . 184 TYR CA . 53096 1 789 . 1 . 1 184 184 TYR CB C 13 39.46833209 . . 1 . . . . . 184 TYR CB . 53096 1 790 . 1 . 1 184 184 TYR N N 15 126.3629463 0.01122886182 . 1 . . . . . 184 TYR N . 53096 1 stop_ save_