data_50835 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50835 _Entry.Title ; SARS-CoV-2 Nucleocapsid 1-209 35 C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-16 _Entry.Accession_date 2021-03-16 _Entry.Last_release_date 2021-03-16 _Entry.Original_release_date 2021-03-16 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'N protein' _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 Elan Eisenmesser . . . . 50835 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'university of Colorado' . 50835 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50835 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 270 50835 '15N chemical shifts' 153 50835 '1H chemical shifts' 156 50835 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 . . 2021-07-14 . original BMRB . 50835 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50835 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34161778 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The Inherent Dynamics and Interaction Sites of the SARS-CoV-2 Nucleocapsid N-Terminal Region ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 433 _Citation.Journal_issue 15 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 167108 _Citation.Page_last 167108 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jasmina Redzic J. S. . . 50835 1 2 Eunjeong Lee E. . . . 50835 1 3 Alexandra Born A. . . . 50835 1 4 Aaron Issaian A. . . . 50835 1 5 Morkos Henen M. A. . . 50835 1 6 Parker Nichols P. J. . . 50835 1 7 Ashley Blue A. . . . 50835 1 8 Kirk Hansen K. C. . . 50835 1 9 Angelo D'Alessandro A. . . . 50835 1 10 Beat Vogeli B. . . . 50835 1 11 'Elan Zohar' Eisenmesser E. Z. . . 50835 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50835 _Assembly.ID 1 _Assembly.Name 'SARS-CoV-2 Nucleocapsid' _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 nucleocapsid 1 $entity_1 . . yes native no no . . . 50835 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50835 _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 ; MSDNGPQNQRNAPRITFGGP SDSTGSNQNGERSGARSKQR RPQGLPNNTASWFTALTQHG KEDLKFPRGQGVPINTNSSP DDQIGYYRRATRRIRGGDGK MKDLSPRWYFYYLGTGPEAG LPYGANKDGIIWVATEGALN TPKDHIGTRNPANNAAIVLQ LPQGTTLPKGFYAEGSRGGS QASSRSSSRSRNSSRNSTPG SSRGTSPAR ; _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 209 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details '35 degrees Celsius' _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 . 50835 1 2 . SER . 50835 1 3 . ASP . 50835 1 4 . ASN . 50835 1 5 . GLY . 50835 1 6 . PRO . 50835 1 7 . GLN . 50835 1 8 . ASN . 50835 1 9 . GLN . 50835 1 10 . ARG . 50835 1 11 . ASN . 50835 1 12 . ALA . 50835 1 13 . PRO . 50835 1 14 . ARG . 50835 1 15 . ILE . 50835 1 16 . THR . 50835 1 17 . PHE . 50835 1 18 . GLY . 50835 1 19 . GLY . 50835 1 20 . PRO . 50835 1 21 . SER . 50835 1 22 . ASP . 50835 1 23 . SER . 50835 1 24 . THR . 50835 1 25 . GLY . 50835 1 26 . SER . 50835 1 27 . ASN . 50835 1 28 . GLN . 50835 1 29 . ASN . 50835 1 30 . GLY . 50835 1 31 . GLU . 50835 1 32 . ARG . 50835 1 33 . SER . 50835 1 34 . GLY . 50835 1 35 . ALA . 50835 1 36 . ARG . 50835 1 37 . SER . 50835 1 38 . LYS . 50835 1 39 . GLN . 50835 1 40 . ARG . 50835 1 41 . ARG . 50835 1 42 . PRO . 50835 1 43 . GLN . 50835 1 44 . GLY . 50835 1 45 . LEU . 50835 1 46 . PRO . 50835 1 47 . ASN . 50835 1 48 . ASN . 50835 1 49 . THR . 50835 1 50 . ALA . 50835 1 51 . SER . 50835 1 52 . TRP . 50835 1 53 . PHE . 50835 1 54 . THR . 50835 1 55 . ALA . 50835 1 56 . LEU . 50835 1 57 . THR . 50835 1 58 . GLN . 50835 1 59 . HIS . 50835 1 60 . GLY . 50835 1 61 . LYS . 50835 1 62 . GLU . 50835 1 63 . ASP . 50835 1 64 . LEU . 50835 1 65 . LYS . 50835 1 66 . PHE . 50835 1 67 . PRO . 50835 1 68 . ARG . 50835 1 69 . GLY . 50835 1 70 . GLN . 50835 1 71 . GLY . 50835 1 72 . VAL . 50835 1 73 . PRO . 50835 1 74 . ILE . 50835 1 75 . ASN . 50835 1 76 . THR . 50835 1 77 . ASN . 50835 1 78 . SER . 50835 1 79 . SER . 50835 1 80 . PRO . 50835 1 81 . ASP . 50835 1 82 . ASP . 50835 1 83 . GLN . 50835 1 84 . ILE . 50835 1 85 . GLY . 50835 1 86 . TYR . 50835 1 87 . TYR . 50835 1 88 . ARG . 50835 1 89 . ARG . 50835 1 90 . ALA . 50835 1 91 . THR . 50835 1 92 . ARG . 50835 1 93 . ARG . 50835 1 94 . ILE . 50835 1 95 . ARG . 50835 1 96 . GLY . 50835 1 97 . GLY . 50835 1 98 . ASP . 50835 1 99 . GLY . 50835 1 100 . LYS . 50835 1 101 . MET . 50835 1 102 . LYS . 50835 1 103 . ASP . 50835 1 104 . LEU . 50835 1 105 . SER . 50835 1 106 . PRO . 50835 1 107 . ARG . 50835 1 108 . TRP . 50835 1 109 . TYR . 50835 1 110 . PHE . 50835 1 111 . TYR . 50835 1 112 . TYR . 50835 1 113 . LEU . 50835 1 114 . GLY . 50835 1 115 . THR . 50835 1 116 . GLY . 50835 1 117 . PRO . 50835 1 118 . GLU . 50835 1 119 . ALA . 50835 1 120 . GLY . 50835 1 121 . LEU . 50835 1 122 . PRO . 50835 1 123 . TYR . 50835 1 124 . GLY . 50835 1 125 . ALA . 50835 1 126 . ASN . 50835 1 127 . LYS . 50835 1 128 . ASP . 50835 1 129 . GLY . 50835 1 130 . ILE . 50835 1 131 . ILE . 50835 1 132 . TRP . 50835 1 133 . VAL . 50835 1 134 . ALA . 50835 1 135 . THR . 50835 1 136 . GLU . 50835 1 137 . GLY . 50835 1 138 . ALA . 50835 1 139 . LEU . 50835 1 140 . ASN . 50835 1 141 . THR . 50835 1 142 . PRO . 50835 1 143 . LYS . 50835 1 144 . ASP . 50835 1 145 . HIS . 50835 1 146 . ILE . 50835 1 147 . GLY . 50835 1 148 . THR . 50835 1 149 . ARG . 50835 1 150 . ASN . 50835 1 151 . PRO . 50835 1 152 . ALA . 50835 1 153 . ASN . 50835 1 154 . ASN . 50835 1 155 . ALA . 50835 1 156 . ALA . 50835 1 157 . ILE . 50835 1 158 . VAL . 50835 1 159 . LEU . 50835 1 160 . GLN . 50835 1 161 . LEU . 50835 1 162 . PRO . 50835 1 163 . GLN . 50835 1 164 . GLY . 50835 1 165 . THR . 50835 1 166 . THR . 50835 1 167 . LEU . 50835 1 168 . PRO . 50835 1 169 . LYS . 50835 1 170 . GLY . 50835 1 171 . PHE . 50835 1 172 . TYR . 50835 1 173 . ALA . 50835 1 174 . GLU . 50835 1 175 . GLY . 50835 1 176 . SER . 50835 1 177 . ARG . 50835 1 178 . GLY . 50835 1 179 . GLY . 50835 1 180 . SER . 50835 1 181 . GLN . 50835 1 182 . ALA . 50835 1 183 . SER . 50835 1 184 . SER . 50835 1 185 . ARG . 50835 1 186 . SER . 50835 1 187 . SER . 50835 1 188 . SER . 50835 1 189 . ARG . 50835 1 190 . SER . 50835 1 191 . ARG . 50835 1 192 . ASN . 50835 1 193 . SER . 50835 1 194 . SER . 50835 1 195 . ARG . 50835 1 196 . ASN . 50835 1 197 . SER . 50835 1 198 . THR . 50835 1 199 . PRO . 50835 1 200 . GLY . 50835 1 201 . SER . 50835 1 202 . SER . 50835 1 203 . ARG . 50835 1 204 . GLY . 50835 1 205 . THR . 50835 1 206 . SER . 50835 1 207 . PRO . 50835 1 208 . ALA . 50835 1 209 . ARG . 50835 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 50835 1 . SER 2 2 50835 1 . ASP 3 3 50835 1 . ASN 4 4 50835 1 . GLY 5 5 50835 1 . PRO 6 6 50835 1 . GLN 7 7 50835 1 . ASN 8 8 50835 1 . GLN 9 9 50835 1 . ARG 10 10 50835 1 . ASN 11 11 50835 1 . ALA 12 12 50835 1 . PRO 13 13 50835 1 . ARG 14 14 50835 1 . ILE 15 15 50835 1 . THR 16 16 50835 1 . PHE 17 17 50835 1 . GLY 18 18 50835 1 . GLY 19 19 50835 1 . PRO 20 20 50835 1 . SER 21 21 50835 1 . ASP 22 22 50835 1 . SER 23 23 50835 1 . THR 24 24 50835 1 . GLY 25 25 50835 1 . SER 26 26 50835 1 . ASN 27 27 50835 1 . GLN 28 28 50835 1 . ASN 29 29 50835 1 . GLY 30 30 50835 1 . GLU 31 31 50835 1 . ARG 32 32 50835 1 . SER 33 33 50835 1 . GLY 34 34 50835 1 . ALA 35 35 50835 1 . ARG 36 36 50835 1 . SER 37 37 50835 1 . LYS 38 38 50835 1 . GLN 39 39 50835 1 . ARG 40 40 50835 1 . ARG 41 41 50835 1 . PRO 42 42 50835 1 . GLN 43 43 50835 1 . GLY 44 44 50835 1 . LEU 45 45 50835 1 . PRO 46 46 50835 1 . ASN 47 47 50835 1 . ASN 48 48 50835 1 . THR 49 49 50835 1 . ALA 50 50 50835 1 . SER 51 51 50835 1 . TRP 52 52 50835 1 . PHE 53 53 50835 1 . THR 54 54 50835 1 . ALA 55 55 50835 1 . LEU 56 56 50835 1 . THR 57 57 50835 1 . GLN 58 58 50835 1 . HIS 59 59 50835 1 . GLY 60 60 50835 1 . LYS 61 61 50835 1 . GLU 62 62 50835 1 . ASP 63 63 50835 1 . LEU 64 64 50835 1 . LYS 65 65 50835 1 . PHE 66 66 50835 1 . PRO 67 67 50835 1 . ARG 68 68 50835 1 . GLY 69 69 50835 1 . GLN 70 70 50835 1 . GLY 71 71 50835 1 . VAL 72 72 50835 1 . PRO 73 73 50835 1 . ILE 74 74 50835 1 . ASN 75 75 50835 1 . THR 76 76 50835 1 . ASN 77 77 50835 1 . SER 78 78 50835 1 . SER 79 79 50835 1 . PRO 80 80 50835 1 . ASP 81 81 50835 1 . ASP 82 82 50835 1 . GLN 83 83 50835 1 . ILE 84 84 50835 1 . GLY 85 85 50835 1 . TYR 86 86 50835 1 . TYR 87 87 50835 1 . ARG 88 88 50835 1 . ARG 89 89 50835 1 . ALA 90 90 50835 1 . THR 91 91 50835 1 . ARG 92 92 50835 1 . ARG 93 93 50835 1 . ILE 94 94 50835 1 . ARG 95 95 50835 1 . GLY 96 96 50835 1 . GLY 97 97 50835 1 . ASP 98 98 50835 1 . GLY 99 99 50835 1 . LYS 100 100 50835 1 . MET 101 101 50835 1 . LYS 102 102 50835 1 . ASP 103 103 50835 1 . LEU 104 104 50835 1 . SER 105 105 50835 1 . PRO 106 106 50835 1 . ARG 107 107 50835 1 . TRP 108 108 50835 1 . TYR 109 109 50835 1 . PHE 110 110 50835 1 . TYR 111 111 50835 1 . TYR 112 112 50835 1 . LEU 113 113 50835 1 . GLY 114 114 50835 1 . THR 115 115 50835 1 . GLY 116 116 50835 1 . PRO 117 117 50835 1 . GLU 118 118 50835 1 . ALA 119 119 50835 1 . GLY 120 120 50835 1 . LEU 121 121 50835 1 . PRO 122 122 50835 1 . TYR 123 123 50835 1 . GLY 124 124 50835 1 . ALA 125 125 50835 1 . ASN 126 126 50835 1 . LYS 127 127 50835 1 . ASP 128 128 50835 1 . GLY 129 129 50835 1 . ILE 130 130 50835 1 . ILE 131 131 50835 1 . TRP 132 132 50835 1 . VAL 133 133 50835 1 . ALA 134 134 50835 1 . THR 135 135 50835 1 . GLU 136 136 50835 1 . GLY 137 137 50835 1 . ALA 138 138 50835 1 . LEU 139 139 50835 1 . ASN 140 140 50835 1 . THR 141 141 50835 1 . PRO 142 142 50835 1 . LYS 143 143 50835 1 . ASP 144 144 50835 1 . HIS 145 145 50835 1 . ILE 146 146 50835 1 . GLY 147 147 50835 1 . THR 148 148 50835 1 . ARG 149 149 50835 1 . ASN 150 150 50835 1 . PRO 151 151 50835 1 . ALA 152 152 50835 1 . ASN 153 153 50835 1 . ASN 154 154 50835 1 . ALA 155 155 50835 1 . ALA 156 156 50835 1 . ILE 157 157 50835 1 . VAL 158 158 50835 1 . LEU 159 159 50835 1 . GLN 160 160 50835 1 . LEU 161 161 50835 1 . PRO 162 162 50835 1 . GLN 163 163 50835 1 . GLY 164 164 50835 1 . THR 165 165 50835 1 . THR 166 166 50835 1 . LEU 167 167 50835 1 . PRO 168 168 50835 1 . LYS 169 169 50835 1 . GLY 170 170 50835 1 . PHE 171 171 50835 1 . TYR 172 172 50835 1 . ALA 173 173 50835 1 . GLU 174 174 50835 1 . GLY 175 175 50835 1 . SER 176 176 50835 1 . ARG 177 177 50835 1 . GLY 178 178 50835 1 . GLY 179 179 50835 1 . SER 180 180 50835 1 . GLN 181 181 50835 1 . ALA 182 182 50835 1 . SER 183 183 50835 1 . SER 184 184 50835 1 . ARG 185 185 50835 1 . SER 186 186 50835 1 . SER 187 187 50835 1 . SER 188 188 50835 1 . ARG 189 189 50835 1 . SER 190 190 50835 1 . ARG 191 191 50835 1 . ASN 192 192 50835 1 . SER 193 193 50835 1 . SER 194 194 50835 1 . ARG 195 195 50835 1 . ASN 196 196 50835 1 . SER 197 197 50835 1 . THR 198 198 50835 1 . PRO 199 199 50835 1 . GLY 200 200 50835 1 . SER 201 201 50835 1 . SER 202 202 50835 1 . ARG 203 203 50835 1 . GLY 204 204 50835 1 . THR 205 205 50835 1 . SER 206 206 50835 1 . PRO 207 207 50835 1 . ALA 208 208 50835 1 . ARG 209 209 50835 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 50835 _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 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 50835 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 50835 _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 . . pET29 . . . 50835 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50835 _Sample.ID 1 _Sample.Name 'N 1-209' _Sample.Type solution _Sample.Sub_type . _Sample.Details '35 degrees Celsius' _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 'SARS-CoV-2 Nucleocapsid 1-209' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM 20 . . . 50835 1 2 'SARS-CoV-2 Nucleocapsid 1-209' '[U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM 20 . . . 50835 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50835 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 50835 _Sample_condition_list.ID 1 _Sample_condition_list.Name Nucleocapsid _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' 150 . mM 50835 1 pH 7 . pH 50835 1 pressure 1 . atm 50835 1 temperature 308 . K 50835 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50835 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' . 50835 1 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 50835 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 50835 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50835 1 2 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50835 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 50835 _Computing_platform.ID 1 _Computing_platform.Name 'My linux box' _Computing_platform.Reference_ID . _Computing_platform.Site 'University of Colorado' _Computing_platform.Site_reference_ID . _Computing_platform.Details . 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 50835 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Nucleocapsid _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.675 internal indirect . . . . . . 50835 1 H 1 water protons . . . . ppm 4.675 internal direct 1 . . . . . 50835 1 N 15 water protons . . . . ppm 4.675 internal indirect . . . . . . 50835 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 50835 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'SARS-CoV-2 Nucleocapsid' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 50835 1 2 '3D HN(CO)CACB' . . . 50835 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 . . 50835 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 2 2 SER CA C 13 58.494 0.036 . . . . . . . 2 S CA . 50835 1 2 . 1 . 1 2 2 SER CB C 13 63.974 0.000 . . . . . . . 2 S CB . 50835 1 3 . 1 . 1 3 3 ASP H H 1 8.446 0.012 . . . . . . . 3 D HN . 50835 1 4 . 1 . 1 3 3 ASP CA C 13 54.353 0.054 . . . . . . . 3 D CA . 50835 1 5 . 1 . 1 3 3 ASP CB C 13 41.250 0.000 . . . . . . . 3 D CB . 50835 1 6 . 1 . 1 3 3 ASP N N 15 122.115 0.093 . . . . . . . 3 D N . 50835 1 7 . 1 . 1 4 4 ASN H H 1 8.453 0.008 . . . . . . . 4 N HN . 50835 1 8 . 1 . 1 4 4 ASN CA C 13 53.165 0.065 . . . . . . . 4 N CA . 50835 1 9 . 1 . 1 4 4 ASN N N 15 119.154 0.063 . . . . . . . 4 N N . 50835 1 10 . 1 . 1 5 5 GLY H H 1 8.194 0.007 . . . . . . . 5 G HN . 50835 1 11 . 1 . 1 5 5 GLY CA C 13 44.349 0.000 . . . . . . . 5 G CA . 50835 1 12 . 1 . 1 5 5 GLY N N 15 108.957 0.059 . . . . . . . 5 G N . 50835 1 13 . 1 . 1 6 6 PRO CA C 13 63.544 0.067 . . . . . . . 6 P CA . 50835 1 14 . 1 . 1 6 6 PRO CB C 13 31.885 0.000 . . . . . . . 6 P CB . 50835 1 15 . 1 . 1 7 7 GLN H H 1 8.561 0.007 . . . . . . . 7 Q HN . 50835 1 16 . 1 . 1 7 7 GLN CA C 13 56.117 0.000 . . . . . . . 7 Q CA . 50835 1 17 . 1 . 1 7 7 GLN N N 15 119.962 0.010 . . . . . . . 7 Q N . 50835 1 18 . 1 . 1 9 9 GLN CA C 13 56.850 0.015 . . . . . . . 9 Q CA . 50835 1 19 . 1 . 1 9 9 GLN CB C 13 30.006 0.000 . . . . . . . 9 Q CB . 50835 1 20 . 1 . 1 10 10 ARG H H 1 8.399 0.005 . . . . . . . 10 R HN . 50835 1 21 . 1 . 1 10 10 ARG CA C 13 56.250 0.097 . . . . . . . 10 R CA . 50835 1 22 . 1 . 1 10 10 ARG CB C 13 30.351 0.000 . . . . . . . 10 R CB . 50835 1 23 . 1 . 1 10 10 ARG N N 15 121.578 0.052 . . . . . . . 10 R N . 50835 1 24 . 1 . 1 11 11 ASN H H 1 8.340 0.010 . . . . . . . 11 N HN . 50835 1 25 . 1 . 1 11 11 ASN CA C 13 52.948 0.019 . . . . . . . 11 N CA . 50835 1 26 . 1 . 1 11 11 ASN CB C 13 38.814 0.000 . . . . . . . 11 N CB . 50835 1 27 . 1 . 1 11 11 ASN N N 15 119.201 0.089 . . . . . . . 11 N N . 50835 1 28 . 1 . 1 12 12 ALA H H 1 8.055 0.007 . . . . . . . 12 A HN . 50835 1 29 . 1 . 1 12 12 ALA CA C 13 50.561 0.000 . . . . . . . 12 A CA . 50835 1 30 . 1 . 1 12 12 ALA N N 15 125.248 0.047 . . . . . . . 12 A N . 50835 1 31 . 1 . 1 13 13 PRO CA C 13 62.969 0.025 . . . . . . . 13 P CA . 50835 1 32 . 1 . 1 13 13 PRO CB C 13 31.878 0.000 . . . . . . . 13 P CB . 50835 1 33 . 1 . 1 14 14 ARG H H 1 8.335 0.006 . . . . . . . 14 R HN . 50835 1 34 . 1 . 1 14 14 ARG CA C 13 55.824 0.022 . . . . . . . 14 R CA . 50835 1 35 . 1 . 1 14 14 ARG CB C 13 30.675 0.000 . . . . . . . 14 R CB . 50835 1 36 . 1 . 1 14 14 ARG N N 15 121.437 0.077 . . . . . . . 14 R N . 50835 1 37 . 1 . 1 15 15 ILE H H 1 8.199 0.008 . . . . . . . 15 I HN . 50835 1 38 . 1 . 1 15 15 ILE CA C 13 60.805 0.034 . . . . . . . 15 I CA . 50835 1 39 . 1 . 1 15 15 ILE CB C 13 38.161 0.000 . . . . . . . 15 I CB . 50835 1 40 . 1 . 1 15 15 ILE N N 15 122.630 0.050 . . . . . . . 15 I N . 50835 1 41 . 1 . 1 16 16 THR H H 1 8.070 0.005 . . . . . . . 16 T HN . 50835 1 42 . 1 . 1 16 16 THR CA C 13 61.119 0.019 . . . . . . . 16 T CA . 50835 1 43 . 1 . 1 16 16 THR CB C 13 69.979 0.000 . . . . . . . 16 T CB . 50835 1 44 . 1 . 1 16 16 THR N N 15 118.297 0.060 . . . . . . . 16 T N . 50835 1 45 . 1 . 1 17 17 PHE H H 1 8.386 0.005 . . . . . . . 17 F HN . 50835 1 46 . 1 . 1 17 17 PHE CA C 13 57.689 0.004 . . . . . . . 17 F CA . 50835 1 47 . 1 . 1 17 17 PHE CB C 13 39.719 0.000 . . . . . . . 17 F CB . 50835 1 48 . 1 . 1 17 17 PHE N N 15 122.942 0.038 . . . . . . . 17 F N . 50835 1 49 . 1 . 1 18 18 GLY H H 1 8.426 0.010 . . . . . . . 18 G HN . 50835 1 50 . 1 . 1 18 18 GLY CA C 13 45.148 0.018 . . . . . . . 18 G CA . 50835 1 51 . 1 . 1 18 18 GLY N N 15 111.018 0.079 . . . . . . . 18 G N . 50835 1 52 . 1 . 1 19 19 GLY H H 1 7.965 0.008 . . . . . . . 19 G HN . 50835 1 53 . 1 . 1 19 19 GLY CA C 13 44.451 0.000 . . . . . . . 19 G CA . 50835 1 54 . 1 . 1 19 19 GLY N N 15 108.789 0.061 . . . . . . . 19 G N . 50835 1 55 . 1 . 1 20 20 PRO CA C 13 63.420 0.011 . . . . . . . 20 P CA . 50835 1 56 . 1 . 1 20 20 PRO CB C 13 32.005 0.000 . . . . . . . 20 P CB . 50835 1 57 . 1 . 1 21 21 SER H H 1 8.428 0.011 . . . . . . . 21 S HN . 50835 1 58 . 1 . 1 21 21 SER CA C 13 58.442 0.096 . . . . . . . 21 S CA . 50835 1 59 . 1 . 1 21 21 SER CB C 13 63.885 0.000 . . . . . . . 21 S CB . 50835 1 60 . 1 . 1 21 21 SER N N 15 115.690 0.066 . . . . . . . 21 S N . 50835 1 61 . 1 . 1 22 22 ASP H H 1 8.241 0.006 . . . . . . . 22 D HN . 50835 1 62 . 1 . 1 22 22 ASP CA C 13 54.325 0.033 . . . . . . . 22 D CA . 50835 1 63 . 1 . 1 22 22 ASP CB C 13 41.218 0.000 . . . . . . . 22 D CB . 50835 1 64 . 1 . 1 22 22 ASP N N 15 122.114 0.087 . . . . . . . 22 D N . 50835 1 65 . 1 . 1 23 23 SER H H 1 8.323 0.005 . . . . . . . 23 S HN . 50835 1 66 . 1 . 1 23 23 SER CA C 13 58.592 0.049 . . . . . . . 23 S CA . 50835 1 67 . 1 . 1 23 23 SER CB C 13 63.828 0.000 . . . . . . . 23 S CB . 50835 1 68 . 1 . 1 23 23 SER N N 15 116.257 0.040 . . . . . . . 23 S N . 50835 1 69 . 1 . 1 24 24 THR H H 1 8.229 0.008 . . . . . . . 24 T HN . 50835 1 70 . 1 . 1 24 24 THR CA C 13 62.600 0.115 . . . . . . . 24 T CA . 50835 1 71 . 1 . 1 24 24 THR CB C 13 69.694 0.000 . . . . . . . 24 T CB . 50835 1 72 . 1 . 1 24 24 THR N N 15 115.229 0.058 . . . . . . . 24 T N . 50835 1 73 . 1 . 1 25 25 GLY H H 1 8.364 0.008 . . . . . . . 25 G HN . 50835 1 74 . 1 . 1 25 25 GLY CA C 13 45.522 0.068 . . . . . . . 25 G CA . 50835 1 75 . 1 . 1 25 25 GLY N N 15 110.976 0.072 . . . . . . . 25 G N . 50835 1 76 . 1 . 1 27 27 ASN H H 1 8.485 0.009 . . . . . . . 27 N HN . 50835 1 77 . 1 . 1 27 27 ASN CA C 13 53.317 0.026 . . . . . . . 27 N CA . 50835 1 78 . 1 . 1 27 27 ASN CB C 13 38.635 0.000 . . . . . . . 27 N CB . 50835 1 79 . 1 . 1 27 27 ASN N N 15 120.639 0.084 . . . . . . . 27 N N . 50835 1 80 . 1 . 1 28 28 GLN H H 1 8.372 0.008 . . . . . . . 28 Q HN . 50835 1 81 . 1 . 1 28 28 GLN CA C 13 56.229 0.025 . . . . . . . 28 Q CA . 50835 1 82 . 1 . 1 28 28 GLN CB C 13 29.005 0.000 . . . . . . . 28 Q CB . 50835 1 83 . 1 . 1 28 28 GLN N N 15 120.362 0.081 . . . . . . . 28 Q N . 50835 1 84 . 1 . 1 29 29 ASN H H 1 8.436 0.004 . . . . . . . 29 N HN . 50835 1 85 . 1 . 1 29 29 ASN CA C 13 53.143 0.065 . . . . . . . 29 N CA . 50835 1 86 . 1 . 1 29 29 ASN CB C 13 39.017 0.000 . . . . . . . 29 N CB . 50835 1 87 . 1 . 1 29 29 ASN N N 15 119.104 0.071 . . . . . . . 29 N N . 50835 1 88 . 1 . 1 30 30 GLY H H 1 8.251 0.006 . . . . . . . 30 G HN . 50835 1 89 . 1 . 1 30 30 GLY CA C 13 44.845 0.000 . . . . . . . 30 G CA . 50835 1 90 . 1 . 1 30 30 GLY N N 15 109.212 0.070 . . . . . . . 30 G N . 50835 1 91 . 1 . 1 31 31 GLU H H 1 8.289 0.000 . . . . . . . 31 E HN . 50835 1 92 . 1 . 1 31 31 GLU CA C 13 56.841 0.000 . . . . . . . 31 E CA . 50835 1 93 . 1 . 1 31 31 GLU N N 15 120.821 0.047 . . . . . . . 31 E N . 50835 1 94 . 1 . 1 34 34 GLY CA C 13 45.443 0.061 . . . . . . . 34 G CA . 50835 1 95 . 1 . 1 35 35 ALA H H 1 8.114 0.006 . . . . . . . 35 A HN . 50835 1 96 . 1 . 1 35 35 ALA CA C 13 53.030 0.216 . . . . . . . 35 A CA . 50835 1 97 . 1 . 1 35 35 ALA CB C 13 18.998 0.000 . . . . . . . 35 A CB . 50835 1 98 . 1 . 1 35 35 ALA N N 15 123.730 0.060 . . . . . . . 35 A N . 50835 1 99 . 1 . 1 36 36 ARG H H 1 8.272 0.008 . . . . . . . 36 R HN . 50835 1 100 . 1 . 1 36 36 ARG CA C 13 56.183 0.076 . . . . . . . 36 R CA . 50835 1 101 . 1 . 1 36 36 ARG CB C 13 30.499 0.000 . . . . . . . 36 R CB . 50835 1 102 . 1 . 1 36 36 ARG N N 15 119.578 0.307 . . . . . . . 36 R N . 50835 1 103 . 1 . 1 39 39 GLN CA C 13 55.809 0.000 . . . . . . . 39 Q CA . 50835 1 104 . 1 . 1 41 41 ARG H H 1 7.882 0.000 . . . . . . . 41 R HN . 50835 1 105 . 1 . 1 41 41 ARG N N 15 125.666 0.000 . . . . . . . 41 R N . 50835 1 106 . 1 . 1 42 42 PRO CA C 13 63.293 0.097 . . . . . . . 42 P CA . 50835 1 107 . 1 . 1 42 42 PRO CB C 13 31.866 0.000 . . . . . . . 42 P CB . 50835 1 108 . 1 . 1 43 43 GLN H H 1 8.461 0.009 . . . . . . . 43 Q HN . 50835 1 109 . 1 . 1 43 43 GLN CA C 13 55.924 0.093 . . . . . . . 43 Q CA . 50835 1 110 . 1 . 1 43 43 GLN CB C 13 29.816 0.000 . . . . . . . 43 Q CB . 50835 1 111 . 1 . 1 43 43 GLN N N 15 120.693 0.098 . . . . . . . 43 Q N . 50835 1 112 . 1 . 1 44 44 GLY H H 1 8.334 0.010 . . . . . . . 44 G HN . 50835 1 113 . 1 . 1 44 44 GLY CA C 13 45.024 0.010 . . . . . . . 44 G CA . 50835 1 114 . 1 . 1 44 44 GLY N N 15 109.848 0.055 . . . . . . . 44 G N . 50835 1 115 . 1 . 1 45 45 LEU H H 1 8.094 0.005 . . . . . . . 45 L HN . 50835 1 116 . 1 . 1 45 45 LEU CA C 13 52.974 0.000 . . . . . . . 45 L CA . 50835 1 117 . 1 . 1 45 45 LEU N N 15 122.796 0.071 . . . . . . . 45 L N . 50835 1 118 . 1 . 1 46 46 PRO CA C 13 63.277 0.013 . . . . . . . 46 P CA . 50835 1 119 . 1 . 1 46 46 PRO CB C 13 31.724 0.000 . . . . . . . 46 P CB . 50835 1 120 . 1 . 1 47 47 ASN H H 1 8.395 0.009 . . . . . . . 47 N HN . 50835 1 121 . 1 . 1 47 47 ASN CA C 13 53.094 0.003 . . . . . . . 47 N CA . 50835 1 122 . 1 . 1 47 47 ASN CB C 13 38.679 0.000 . . . . . . . 47 N CB . 50835 1 123 . 1 . 1 47 47 ASN N N 15 117.991 0.077 . . . . . . . 47 N N . 50835 1 124 . 1 . 1 48 48 ASN H H 1 8.265 0.009 . . . . . . . 48 N HN . 50835 1 125 . 1 . 1 48 48 ASN CA C 13 52.939 0.017 . . . . . . . 48 N CA . 50835 1 126 . 1 . 1 48 48 ASN CB C 13 38.292 0.000 . . . . . . . 48 N CB . 50835 1 127 . 1 . 1 48 48 ASN N N 15 119.383 0.181 . . . . . . . 48 N N . 50835 1 128 . 1 . 1 49 49 THR H H 1 7.816 0.004 . . . . . . . 49 T HN . 50835 1 129 . 1 . 1 49 49 THR CA C 13 60.949 0.008 . . . . . . . 49 T CA . 50835 1 130 . 1 . 1 49 49 THR CB C 13 70.366 0.000 . . . . . . . 49 T CB . 50835 1 131 . 1 . 1 49 49 THR N N 15 110.681 0.062 . . . . . . . 49 T N . 50835 1 132 . 1 . 1 50 50 ALA H H 1 8.438 0.010 . . . . . . . 50 A HN . 50835 1 133 . 1 . 1 50 50 ALA CA C 13 51.565 0.092 . . . . . . . 50 A CA . 50835 1 134 . 1 . 1 50 50 ALA CB C 13 20.369 0.000 . . . . . . . 50 A CB . 50835 1 135 . 1 . 1 50 50 ALA N N 15 126.546 0.076 . . . . . . . 50 A N . 50835 1 136 . 1 . 1 51 51 SER H H 1 8.211 0.006 . . . . . . . 51 S HN . 50835 1 137 . 1 . 1 51 51 SER CA C 13 57.589 0.022 . . . . . . . 51 S CA . 50835 1 138 . 1 . 1 51 51 SER CB C 13 63.348 0.000 . . . . . . . 51 S CB . 50835 1 139 . 1 . 1 51 51 SER N N 15 113.879 0.108 . . . . . . . 51 S N . 50835 1 140 . 1 . 1 52 52 TRP H H 1 10.075 0.006 . . . . . . . 52 W HN . 50835 1 141 . 1 . 1 52 52 TRP HE1 H 1 8.607 0.000 . . . . . . . 52 W HE1 . 50835 1 142 . 1 . 1 52 52 TRP CA C 13 61.217 0.016 . . . . . . . 52 W CA . 50835 1 143 . 1 . 1 52 52 TRP CB C 13 29.803 0.000 . . . . . . . 52 W CB . 50835 1 144 . 1 . 1 52 52 TRP N N 15 127.758 0.047 . . . . . . . 52 W N . 50835 1 145 . 1 . 1 52 52 TRP NE1 N 15 127.283 0.000 . . . . . . . 52 W NE1 . 50835 1 146 . 1 . 1 53 53 PHE H H 1 8.217 0.006 . . . . . . . 53 F HN . 50835 1 147 . 1 . 1 53 53 PHE CA C 13 55.557 0.076 . . . . . . . 53 F CA . 50835 1 148 . 1 . 1 53 53 PHE CB C 13 43.610 0.000 . . . . . . . 53 F CB . 50835 1 149 . 1 . 1 53 53 PHE N N 15 113.960 0.087 . . . . . . . 53 F N . 50835 1 150 . 1 . 1 54 54 THR H H 1 8.189 0.005 . . . . . . . 54 T HN . 50835 1 151 . 1 . 1 54 54 THR CA C 13 62.055 0.001 . . . . . . . 54 T CA . 50835 1 152 . 1 . 1 54 54 THR N N 15 111.755 0.047 . . . . . . . 54 T N . 50835 1 153 . 1 . 1 55 55 ALA H H 1 8.200 0.001 . . . . . . . 55 A HN . 50835 1 154 . 1 . 1 55 55 ALA CA C 13 51.695 0.155 . . . . . . . 55 A CA . 50835 1 155 . 1 . 1 55 55 ALA CB C 13 20.051 0.000 . . . . . . . 55 A CB . 50835 1 156 . 1 . 1 55 55 ALA N N 15 118.470 0.058 . . . . . . . 55 A N . 50835 1 157 . 1 . 1 56 56 LEU H H 1 8.626 0.007 . . . . . . . 56 L HN . 50835 1 158 . 1 . 1 56 56 LEU CA C 13 53.847 0.005 . . . . . . . 56 L CA . 50835 1 159 . 1 . 1 56 56 LEU CB C 13 44.546 0.000 . . . . . . . 56 L CB . 50835 1 160 . 1 . 1 56 56 LEU N N 15 117.623 0.040 . . . . . . . 56 L N . 50835 1 161 . 1 . 1 57 57 THR H H 1 9.288 0.005 . . . . . . . 57 T HN . 50835 1 162 . 1 . 1 57 57 THR CA C 13 62.772 0.030 . . . . . . . 57 T CA . 50835 1 163 . 1 . 1 57 57 THR N N 15 121.742 0.089 . . . . . . . 57 T N . 50835 1 164 . 1 . 1 58 58 GLN H H 1 8.594 0.005 . . . . . . . 58 Q HN . 50835 1 165 . 1 . 1 58 58 GLN CA C 13 54.020 0.015 . . . . . . . 58 Q CA . 50835 1 166 . 1 . 1 58 58 GLN N N 15 126.832 0.014 . . . . . . . 58 Q N . 50835 1 167 . 1 . 1 59 59 HIS H H 1 8.297 0.004 . . . . . . . 59 H HN . 50835 1 168 . 1 . 1 59 59 HIS CA C 13 56.376 0.085 . . . . . . . 59 H CA . 50835 1 169 . 1 . 1 59 59 HIS CB C 13 31.160 0.000 . . . . . . . 59 H CB . 50835 1 170 . 1 . 1 59 59 HIS N N 15 124.525 0.100 . . . . . . . 59 H N . 50835 1 171 . 1 . 1 60 60 GLY H H 1 7.670 0.008 . . . . . . . 60 G HN . 50835 1 172 . 1 . 1 60 60 GLY CA C 13 44.268 0.045 . . . . . . . 60 G CA . 50835 1 173 . 1 . 1 60 60 GLY N N 15 108.188 0.082 . . . . . . . 60 G N . 50835 1 174 . 1 . 1 61 61 LYS H H 1 8.427 0.011 . . . . . . . 61 K HN . 50835 1 175 . 1 . 1 61 61 LYS CA C 13 56.198 0.006 . . . . . . . 61 K CA . 50835 1 176 . 1 . 1 61 61 LYS CB C 13 32.898 0.000 . . . . . . . 61 K CB . 50835 1 177 . 1 . 1 61 61 LYS N N 15 117.409 0.025 . . . . . . . 61 K N . 50835 1 178 . 1 . 1 62 62 GLU H H 1 7.945 0.011 . . . . . . . 62 E HN . 50835 1 179 . 1 . 1 62 62 GLU CA C 13 56.155 0.082 . . . . . . . 62 E CA . 50835 1 180 . 1 . 1 62 62 GLU CB C 13 30.403 0.000 . . . . . . . 62 E CB . 50835 1 181 . 1 . 1 62 62 GLU N N 15 120.561 0.076 . . . . . . . 62 E N . 50835 1 182 . 1 . 1 63 63 ASP H H 1 8.244 0.007 . . . . . . . 63 D HN . 50835 1 183 . 1 . 1 63 63 ASP CA C 13 54.101 0.062 . . . . . . . 63 D CA . 50835 1 184 . 1 . 1 63 63 ASP CB C 13 41.561 0.000 . . . . . . . 63 D CB . 50835 1 185 . 1 . 1 63 63 ASP N N 15 119.820 0.134 . . . . . . . 63 D N . 50835 1 186 . 1 . 1 64 64 LEU H H 1 5.702 0.014 . . . . . . . 64 L HN . 50835 1 187 . 1 . 1 64 64 LEU CA C 13 54.655 0.001 . . . . . . . 64 L CA . 50835 1 188 . 1 . 1 64 64 LEU N N 15 120.950 0.060 . . . . . . . 64 L N . 50835 1 189 . 1 . 1 65 65 LYS H H 1 5.877 0.006 . . . . . . . 65 K HN . 50835 1 190 . 1 . 1 65 65 LYS CA C 13 55.492 0.210 . . . . . . . 65 K CA . 50835 1 191 . 1 . 1 65 65 LYS CB C 13 34.863 0.000 . . . . . . . 65 K CB . 50835 1 192 . 1 . 1 65 65 LYS N N 15 119.958 0.068 . . . . . . . 65 K N . 50835 1 193 . 1 . 1 66 66 PHE H H 1 8.101 0.008 . . . . . . . 66 F HN . 50835 1 194 . 1 . 1 66 66 PHE CA C 13 55.869 0.000 . . . . . . . 66 F CA . 50835 1 195 . 1 . 1 66 66 PHE N N 15 118.527 0.088 . . . . . . . 66 F N . 50835 1 196 . 1 . 1 67 67 PRO CA C 13 62.082 0.000 . . . . . . . 67 P CA . 50835 1 197 . 1 . 1 68 68 ARG H H 1 8.365 0.005 . . . . . . . 68 R HN . 50835 1 198 . 1 . 1 68 68 ARG CA C 13 58.250 0.062 . . . . . . . 68 R CA . 50835 1 199 . 1 . 1 68 68 ARG CB C 13 29.824 0.000 . . . . . . . 68 R CB . 50835 1 200 . 1 . 1 68 68 ARG N N 15 121.491 0.074 . . . . . . . 68 R N . 50835 1 201 . 1 . 1 69 69 GLY H H 1 8.898 0.009 . . . . . . . 69 G HN . 50835 1 202 . 1 . 1 69 69 GLY CA C 13 45.307 0.082 . . . . . . . 69 G CA . 50835 1 203 . 1 . 1 69 69 GLY N N 15 115.279 0.103 . . . . . . . 69 G N . 50835 1 204 . 1 . 1 70 70 GLN H H 1 8.098 0.009 . . . . . . . 70 Q HN . 50835 1 205 . 1 . 1 70 70 GLN HE21 H 1 6.784 0.001 . . . . . . . 70 Q HE21 . 50835 1 206 . 1 . 1 70 70 GLN HE22 H 1 7.351 0.001 . . . . . . . 70 Q HE22 . 50835 1 207 . 1 . 1 70 70 GLN CA C 13 54.586 0.001 . . . . . . . 70 Q CA . 50835 1 208 . 1 . 1 70 70 GLN CB C 13 31.631 0.000 . . . . . . . 70 Q CB . 50835 1 209 . 1 . 1 70 70 GLN N N 15 119.185 0.039 . . . . . . . 70 Q N . 50835 1 210 . 1 . 1 70 70 GLN NE2 N 15 109.850 0.010 . . . . . . . 70 Q NE2 . 50835 1 211 . 1 . 1 71 71 GLY H H 1 8.333 0.004 . . . . . . . 71 G HN . 50835 1 212 . 1 . 1 71 71 GLY CA C 13 43.419 0.007 . . . . . . . 71 G CA . 50835 1 213 . 1 . 1 71 71 GLY N N 15 102.577 0.122 . . . . . . . 71 G N . 50835 1 214 . 1 . 1 72 72 VAL H H 1 7.341 0.005 . . . . . . . 72 V HN . 50835 1 215 . 1 . 1 72 72 VAL CA C 13 60.166 0.000 . . . . . . . 72 V CA . 50835 1 216 . 1 . 1 72 72 VAL N N 15 122.792 0.057 . . . . . . . 72 V N . 50835 1 217 . 1 . 1 73 73 PRO CA C 13 61.913 0.000 . . . . . . . 73 P CA . 50835 1 218 . 1 . 1 73 73 PRO CB C 13 32.212 0.000 . . . . . . . 73 P CB . 50835 1 219 . 1 . 1 74 74 ILE H H 1 7.937 0.008 . . . . . . . 74 I HN . 50835 1 220 . 1 . 1 74 74 ILE CA C 13 62.043 0.040 . . . . . . . 74 I CA . 50835 1 221 . 1 . 1 74 74 ILE N N 15 118.770 0.051 . . . . . . . 74 I N . 50835 1 222 . 1 . 1 75 75 ASN H H 1 8.748 0.002 . . . . . . . 75 N HN . 50835 1 223 . 1 . 1 75 75 ASN CA C 13 51.410 0.000 . . . . . . . 75 N CA . 50835 1 224 . 1 . 1 75 75 ASN N N 15 123.834 0.040 . . . . . . . 75 N N . 50835 1 225 . 1 . 1 76 76 THR CA C 13 64.727 0.093 . . . . . . . 76 T CA . 50835 1 226 . 1 . 1 76 76 THR CB C 13 68.382 0.000 . . . . . . . 76 T CB . 50835 1 227 . 1 . 1 77 77 ASN H H 1 7.741 0.008 . . . . . . . 77 N HN . 50835 1 228 . 1 . 1 77 77 ASN CA C 13 52.896 0.170 . . . . . . . 77 N CA . 50835 1 229 . 1 . 1 77 77 ASN CB C 13 38.052 0.000 . . . . . . . 77 N CB . 50835 1 230 . 1 . 1 77 77 ASN N N 15 119.188 0.054 . . . . . . . 77 N N . 50835 1 231 . 1 . 1 78 78 SER H H 1 7.609 0.006 . . . . . . . 78 S HN . 50835 1 232 . 1 . 1 78 78 SER CA C 13 57.590 0.031 . . . . . . . 78 S CA . 50835 1 233 . 1 . 1 78 78 SER CB C 13 66.070 0.000 . . . . . . . 78 S CB . 50835 1 234 . 1 . 1 78 78 SER N N 15 113.225 0.067 . . . . . . . 78 S N . 50835 1 235 . 1 . 1 79 79 SER H H 1 9.526 0.007 . . . . . . . 79 S HN . 50835 1 236 . 1 . 1 79 79 SER CA C 13 56.557 0.000 . . . . . . . 79 S CA . 50835 1 237 . 1 . 1 79 79 SER N N 15 119.262 0.076 . . . . . . . 79 S N . 50835 1 238 . 1 . 1 80 80 PRO CA C 13 66.346 0.032 . . . . . . . 80 P CA . 50835 1 239 . 1 . 1 80 80 PRO CB C 13 31.661 0.000 . . . . . . . 80 P CB . 50835 1 240 . 1 . 1 81 81 ASP H H 1 8.058 0.008 . . . . . . . 81 D HN . 50835 1 241 . 1 . 1 81 81 ASP CA C 13 56.552 0.005 . . . . . . . 81 D CA . 50835 1 242 . 1 . 1 81 81 ASP CB C 13 41.020 0.000 . . . . . . . 81 D CB . 50835 1 243 . 1 . 1 81 81 ASP N N 15 114.868 0.054 . . . . . . . 81 D N . 50835 1 244 . 1 . 1 82 82 ASP H H 1 8.009 0.005 . . . . . . . 82 D HN . 50835 1 245 . 1 . 1 82 82 ASP CA C 13 55.565 0.022 . . . . . . . 82 D CA . 50835 1 246 . 1 . 1 82 82 ASP CB C 13 42.959 0.000 . . . . . . . 82 D CB . 50835 1 247 . 1 . 1 82 82 ASP N N 15 114.823 0.061 . . . . . . . 82 D N . 50835 1 248 . 1 . 1 83 83 GLN H H 1 6.830 0.007 . . . . . . . 83 Q HN . 50835 1 249 . 1 . 1 83 83 GLN CA C 13 55.168 0.013 . . . . . . . 83 Q CA . 50835 1 250 . 1 . 1 83 83 GLN CB C 13 25.942 0.000 . . . . . . . 83 Q CB . 50835 1 251 . 1 . 1 83 83 GLN N N 15 114.148 0.098 . . . . . . . 83 Q N . 50835 1 252 . 1 . 1 84 84 ILE H H 1 9.149 0.005 . . . . . . . 84 I HN . 50835 1 253 . 1 . 1 84 84 ILE CA C 13 59.870 0.006 . . . . . . . 84 I CA . 50835 1 254 . 1 . 1 84 84 ILE N N 15 122.861 0.050 . . . . . . . 84 I N . 50835 1 255 . 1 . 1 85 85 GLY H H 1 9.642 0.001 . . . . . . . 85 G HN . 50835 1 256 . 1 . 1 85 85 GLY CA C 13 47.354 0.009 . . . . . . . 85 G CA . 50835 1 257 . 1 . 1 85 85 GLY N N 15 113.357 0.046 . . . . . . . 85 G N . 50835 1 258 . 1 . 1 86 86 TYR H H 1 8.447 0.006 . . . . . . . 86 Y HN . 50835 1 259 . 1 . 1 86 86 TYR CA C 13 53.874 0.004 . . . . . . . 86 Y CA . 50835 1 260 . 1 . 1 86 86 TYR CB C 13 39.713 0.000 . . . . . . . 86 Y CB . 50835 1 261 . 1 . 1 86 86 TYR N N 15 117.012 0.068 . . . . . . . 86 Y N . 50835 1 262 . 1 . 1 87 87 TYR H H 1 9.152 0.004 . . . . . . . 87 Y HN . 50835 1 263 . 1 . 1 87 87 TYR CA C 13 56.899 0.003 . . . . . . . 87 Y CA . 50835 1 264 . 1 . 1 87 87 TYR CB C 13 42.551 0.000 . . . . . . . 87 Y CB . 50835 1 265 . 1 . 1 87 87 TYR N N 15 115.652 0.074 . . . . . . . 87 Y N . 50835 1 266 . 1 . 1 88 88 ARG H H 1 9.729 0.006 . . . . . . . 88 R HN . 50835 1 267 . 1 . 1 88 88 ARG CA C 13 53.259 0.011 . . . . . . . 88 R CA . 50835 1 268 . 1 . 1 88 88 ARG CB C 13 34.484 0.000 . . . . . . . 88 R CB . 50835 1 269 . 1 . 1 88 88 ARG N N 15 121.740 0.106 . . . . . . . 88 R N . 50835 1 270 . 1 . 1 89 89 ARG H H 1 8.726 0.003 . . . . . . . 89 R HN . 50835 1 271 . 1 . 1 89 89 ARG CA C 13 56.290 0.002 . . . . . . . 89 R CA . 50835 1 272 . 1 . 1 89 89 ARG N N 15 132.064 0.064 . . . . . . . 89 R N . 50835 1 273 . 1 . 1 90 90 ALA H H 1 9.472 0.004 . . . . . . . 90 A HN . 50835 1 274 . 1 . 1 90 90 ALA CA C 13 51.618 0.003 . . . . . . . 90 A CA . 50835 1 275 . 1 . 1 90 90 ALA CB C 13 20.603 0.000 . . . . . . . 90 A CB . 50835 1 276 . 1 . 1 90 90 ALA N N 15 131.610 0.042 . . . . . . . 90 A N . 50835 1 277 . 1 . 1 91 91 THR H H 1 8.276 0.008 . . . . . . . 91 T HN . 50835 1 278 . 1 . 1 91 91 THR CA C 13 61.249 0.006 . . . . . . . 91 T CA . 50835 1 279 . 1 . 1 91 91 THR CB C 13 70.148 0.000 . . . . . . . 91 T CB . 50835 1 280 . 1 . 1 91 91 THR N N 15 115.867 0.063 . . . . . . . 91 T N . 50835 1 281 . 1 . 1 92 92 ARG H H 1 8.677 0.006 . . . . . . . 92 R HN . 50835 1 282 . 1 . 1 92 92 ARG CA C 13 55.787 0.082 . . . . . . . 92 R CA . 50835 1 283 . 1 . 1 92 92 ARG N N 15 124.038 0.060 . . . . . . . 92 R N . 50835 1 284 . 1 . 1 93 93 ARG H H 1 8.351 0.007 . . . . . . . 93 R HN . 50835 1 285 . 1 . 1 93 93 ARG CA C 13 55.287 0.051 . . . . . . . 93 R CA . 50835 1 286 . 1 . 1 93 93 ARG CB C 13 31.974 0.000 . . . . . . . 93 R CB . 50835 1 287 . 1 . 1 93 93 ARG N N 15 123.078 0.084 . . . . . . . 93 R N . 50835 1 288 . 1 . 1 94 94 ILE H H 1 8.567 0.006 . . . . . . . 94 I HN . 50835 1 289 . 1 . 1 94 94 ILE CA C 13 59.651 0.006 . . . . . . . 94 I CA . 50835 1 290 . 1 . 1 94 94 ILE CB C 13 40.885 0.000 . . . . . . . 94 I CB . 50835 1 291 . 1 . 1 94 94 ILE N N 15 120.621 0.106 . . . . . . . 94 I N . 50835 1 292 . 1 . 1 95 95 ARG H H 1 8.468 0.010 . . . . . . . 95 R HN . 50835 1 293 . 1 . 1 95 95 ARG CA C 13 56.217 0.033 . . . . . . . 95 R CA . 50835 1 294 . 1 . 1 95 95 ARG CB C 13 30.591 0.000 . . . . . . . 95 R CB . 50835 1 295 . 1 . 1 95 95 ARG N N 15 125.007 0.086 . . . . . . . 95 R N . 50835 1 296 . 1 . 1 96 96 GLY H H 1 8.638 0.007 . . . . . . . 96 G HN . 50835 1 297 . 1 . 1 96 96 GLY CA C 13 44.537 0.000 . . . . . . . 96 G CA . 50835 1 298 . 1 . 1 96 96 GLY N N 15 112.719 0.035 . . . . . . . 96 G N . 50835 1 299 . 1 . 1 97 97 GLY CA C 13 46.350 0.006 . . . . . . . 97 G CA . 50835 1 300 . 1 . 1 98 98 ASP H H 1 8.128 0.006 . . . . . . . 98 D HN . 50835 1 301 . 1 . 1 98 98 ASP CA C 13 53.247 0.033 . . . . . . . 98 D CA . 50835 1 302 . 1 . 1 98 98 ASP CB C 13 40.360 0.000 . . . . . . . 98 D CB . 50835 1 303 . 1 . 1 98 98 ASP N N 15 118.315 0.083 . . . . . . . 98 D N . 50835 1 304 . 1 . 1 99 99 GLY H H 1 8.174 0.005 . . . . . . . 99 G HN . 50835 1 305 . 1 . 1 99 99 GLY CA C 13 45.394 0.039 . . . . . . . 99 G CA . 50835 1 306 . 1 . 1 99 99 GLY N N 15 108.097 0.101 . . . . . . . 99 G N . 50835 1 307 . 1 . 1 100 100 LYS H H 1 7.925 0.008 . . . . . . . 100 K HN . 50835 1 308 . 1 . 1 100 100 LYS CA C 13 55.679 0.017 . . . . . . . 100 K CA . 50835 1 309 . 1 . 1 100 100 LYS CB C 13 32.714 0.000 . . . . . . . 100 K CB . 50835 1 310 . 1 . 1 100 100 LYS N N 15 120.584 0.053 . . . . . . . 100 K N . 50835 1 311 . 1 . 1 101 101 MET H H 1 8.547 0.010 . . . . . . . 101 M HN . 50835 1 312 . 1 . 1 101 101 MET CA C 13 54.703 0.061 . . . . . . . 101 M CA . 50835 1 313 . 1 . 1 101 101 MET N N 15 121.292 0.060 . . . . . . . 101 M N . 50835 1 314 . 1 . 1 102 102 LYS H H 1 8.861 0.007 . . . . . . . 102 K HN . 50835 1 315 . 1 . 1 102 102 LYS CA C 13 55.290 0.085 . . . . . . . 102 K CA . 50835 1 316 . 1 . 1 102 102 LYS CB C 13 34.182 0.000 . . . . . . . 102 K CB . 50835 1 317 . 1 . 1 102 102 LYS N N 15 122.946 0.034 . . . . . . . 102 K N . 50835 1 318 . 1 . 1 103 103 ASP H H 1 8.360 0.007 . . . . . . . 103 D HN . 50835 1 319 . 1 . 1 103 103 ASP CA C 13 54.350 0.019 . . . . . . . 103 D CA . 50835 1 320 . 1 . 1 103 103 ASP CB C 13 41.510 0.000 . . . . . . . 103 D CB . 50835 1 321 . 1 . 1 103 103 ASP N N 15 121.949 0.057 . . . . . . . 103 D N . 50835 1 322 . 1 . 1 104 104 LEU H H 1 8.318 0.005 . . . . . . . 104 L HN . 50835 1 323 . 1 . 1 104 104 LEU CA C 13 53.861 0.048 . . . . . . . 104 L CA . 50835 1 324 . 1 . 1 104 104 LEU CB C 13 42.687 0.000 . . . . . . . 104 L CB . 50835 1 325 . 1 . 1 104 104 LEU N N 15 123.114 0.046 . . . . . . . 104 L N . 50835 1 326 . 1 . 1 105 105 SER H H 1 8.241 0.005 . . . . . . . 105 S HN . 50835 1 327 . 1 . 1 105 105 SER CA C 13 57.689 0.000 . . . . . . . 105 S CA . 50835 1 328 . 1 . 1 105 105 SER N N 15 117.816 0.075 . . . . . . . 105 S N . 50835 1 329 . 1 . 1 106 106 PRO CA C 13 63.349 0.000 . . . . . . . 106 P CA . 50835 1 330 . 1 . 1 106 106 PRO CB C 13 32.566 0.000 . . . . . . . 106 P CB . 50835 1 331 . 1 . 1 107 107 ARG H H 1 8.130 0.003 . . . . . . . 107 R HN . 50835 1 332 . 1 . 1 107 107 ARG CA C 13 54.655 0.004 . . . . . . . 107 R CA . 50835 1 333 . 1 . 1 107 107 ARG CB C 13 34.848 0.000 . . . . . . . 107 R CB . 50835 1 334 . 1 . 1 107 107 ARG N N 15 120.077 0.036 . . . . . . . 107 R N . 50835 1 335 . 1 . 1 108 108 TRP H H 1 9.352 0.009 . . . . . . . 108 W HN . 50835 1 336 . 1 . 1 108 108 TRP HE1 H 1 11.024 0.003 . . . . . . . 108 W HE1 . 50835 1 337 . 1 . 1 108 108 TRP CA C 13 55.712 0.012 . . . . . . . 108 W CA . 50835 1 338 . 1 . 1 108 108 TRP N N 15 121.416 0.057 . . . . . . . 108 W N . 50835 1 339 . 1 . 1 108 108 TRP NE1 N 15 129.917 0.019 . . . . . . . 108 W NE1 . 50835 1 340 . 1 . 1 109 109 TYR H H 1 8.598 0.004 . . . . . . . 109 Y HN . 50835 1 341 . 1 . 1 109 109 TYR CA C 13 56.257 0.053 . . . . . . . 109 Y CA . 50835 1 342 . 1 . 1 109 109 TYR CB C 13 43.023 0.000 . . . . . . . 109 Y CB . 50835 1 343 . 1 . 1 109 109 TYR N N 15 119.718 0.049 . . . . . . . 109 Y N . 50835 1 344 . 1 . 1 110 110 PHE H H 1 9.464 0.006 . . . . . . . 110 F HN . 50835 1 345 . 1 . 1 110 110 PHE CA C 13 57.010 0.068 . . . . . . . 110 F CA . 50835 1 346 . 1 . 1 110 110 PHE CB C 13 39.873 0.000 . . . . . . . 110 F CB . 50835 1 347 . 1 . 1 110 110 PHE N N 15 121.476 0.060 . . . . . . . 110 F N . 50835 1 348 . 1 . 1 111 111 TYR H H 1 8.281 0.004 . . . . . . . 111 Y HN . 50835 1 349 . 1 . 1 111 111 TYR CA C 13 57.000 0.000 . . . . . . . 111 Y CA . 50835 1 350 . 1 . 1 111 111 TYR CB C 13 40.467 0.000 . . . . . . . 111 Y CB . 50835 1 351 . 1 . 1 111 111 TYR N N 15 128.446 0.055 . . . . . . . 111 Y N . 50835 1 352 . 1 . 1 112 112 TYR H H 1 6.857 0.009 . . . . . . . 112 Y HN . 50835 1 353 . 1 . 1 112 112 TYR CA C 13 59.998 0.010 . . . . . . . 112 Y CA . 50835 1 354 . 1 . 1 112 112 TYR CB C 13 39.653 0.000 . . . . . . . 112 Y CB . 50835 1 355 . 1 . 1 112 112 TYR N N 15 116.304 0.057 . . . . . . . 112 Y N . 50835 1 356 . 1 . 1 113 113 LEU H H 1 9.054 0.007 . . . . . . . 113 L HN . 50835 1 357 . 1 . 1 113 113 LEU CA C 13 56.962 0.012 . . . . . . . 113 L CA . 50835 1 358 . 1 . 1 113 113 LEU CB C 13 45.489 0.000 . . . . . . . 113 L CB . 50835 1 359 . 1 . 1 113 113 LEU N N 15 124.794 0.030 . . . . . . . 113 L N . 50835 1 360 . 1 . 1 114 114 GLY H H 1 9.900 0.002 . . . . . . . 114 G HN . 50835 1 361 . 1 . 1 114 114 GLY CA C 13 45.985 0.014 . . . . . . . 114 G CA . 50835 1 362 . 1 . 1 114 114 GLY N N 15 114.297 0.068 . . . . . . . 114 G N . 50835 1 363 . 1 . 1 115 115 THR H H 1 8.157 0.005 . . . . . . . 115 T HN . 50835 1 364 . 1 . 1 115 115 THR CA C 13 59.311 0.001 . . . . . . . 115 T CA . 50835 1 365 . 1 . 1 115 115 THR N N 15 108.602 0.054 . . . . . . . 115 T N . 50835 1 366 . 1 . 1 116 116 GLY H H 1 9.097 0.001 . . . . . . . 116 G HN . 50835 1 367 . 1 . 1 116 116 GLY CA C 13 45.638 0.000 . . . . . . . 116 G CA . 50835 1 368 . 1 . 1 116 116 GLY N N 15 106.980 0.078 . . . . . . . 116 G N . 50835 1 369 . 1 . 1 117 117 PRO CA C 13 64.534 0.072 . . . . . . . 117 P CA . 50835 1 370 . 1 . 1 117 117 PRO CB C 13 32.003 0.000 . . . . . . . 117 P CB . 50835 1 371 . 1 . 1 118 118 GLU H H 1 7.620 0.009 . . . . . . . 118 E HN . 50835 1 372 . 1 . 1 118 118 GLU CA C 13 52.611 0.003 . . . . . . . 118 E CA . 50835 1 373 . 1 . 1 118 118 GLU N N 15 114.817 0.039 . . . . . . . 118 E N . 50835 1 374 . 1 . 1 119 119 ALA H H 1 6.995 0.003 . . . . . . . 119 A HN . 50835 1 375 . 1 . 1 119 119 ALA CA C 13 55.430 0.067 . . . . . . . 119 A CA . 50835 1 376 . 1 . 1 119 119 ALA CB C 13 18.606 0.000 . . . . . . . 119 A CB . 50835 1 377 . 1 . 1 119 119 ALA N N 15 122.919 0.034 . . . . . . . 119 A N . 50835 1 378 . 1 . 1 120 120 GLY H H 1 8.265 0.006 . . . . . . . 120 G HN . 50835 1 379 . 1 . 1 120 120 GLY CA C 13 44.806 0.011 . . . . . . . 120 G CA . 50835 1 380 . 1 . 1 120 120 GLY N N 15 101.084 0.071 . . . . . . . 120 G N . 50835 1 381 . 1 . 1 121 121 LEU H H 1 7.544 0.006 . . . . . . . 121 L HN . 50835 1 382 . 1 . 1 121 121 LEU CA C 13 52.234 0.000 . . . . . . . 121 L CA . 50835 1 383 . 1 . 1 121 121 LEU N N 15 122.945 0.037 . . . . . . . 121 L N . 50835 1 384 . 1 . 1 122 122 PRO CA C 13 61.432 0.081 . . . . . . . 122 P CA . 50835 1 385 . 1 . 1 122 122 PRO CB C 13 31.598 0.000 . . . . . . . 122 P CB . 50835 1 386 . 1 . 1 123 123 TYR H H 1 8.451 0.007 . . . . . . . 123 Y HN . 50835 1 387 . 1 . 1 123 123 TYR CA C 13 59.301 0.088 . . . . . . . 123 Y CA . 50835 1 388 . 1 . 1 123 123 TYR CB C 13 37.709 0.000 . . . . . . . 123 Y CB . 50835 1 389 . 1 . 1 123 123 TYR N N 15 118.811 0.057 . . . . . . . 123 Y N . 50835 1 390 . 1 . 1 124 124 GLY H H 1 3.061 0.008 . . . . . . . 124 G HN . 50835 1 391 . 1 . 1 124 124 GLY CA C 13 44.605 0.021 . . . . . . . 124 G CA . 50835 1 392 . 1 . 1 124 124 GLY N N 15 112.139 0.080 . . . . . . . 124 G N . 50835 1 393 . 1 . 1 125 125 ALA H H 1 7.318 0.006 . . . . . . . 125 A HN . 50835 1 394 . 1 . 1 125 125 ALA CA C 13 52.998 0.047 . . . . . . . 125 A CA . 50835 1 395 . 1 . 1 125 125 ALA CB C 13 19.453 0.000 . . . . . . . 125 A CB . 50835 1 396 . 1 . 1 125 125 ALA N N 15 123.561 0.082 . . . . . . . 125 A N . 50835 1 397 . 1 . 1 126 126 ASN H H 1 8.717 0.004 . . . . . . . 126 N HN . 50835 1 398 . 1 . 1 126 126 ASN CA C 13 53.586 0.005 . . . . . . . 126 N CA . 50835 1 399 . 1 . 1 126 126 ASN CB C 13 39.058 0.000 . . . . . . . 126 N CB . 50835 1 400 . 1 . 1 126 126 ASN N N 15 121.836 0.062 . . . . . . . 126 N N . 50835 1 401 . 1 . 1 127 127 LYS H H 1 8.648 0.005 . . . . . . . 127 K HN . 50835 1 402 . 1 . 1 127 127 LYS CA C 13 56.591 0.000 . . . . . . . 127 K CA . 50835 1 403 . 1 . 1 127 127 LYS N N 15 127.531 0.081 . . . . . . . 127 K N . 50835 1 404 . 1 . 1 128 128 ASP H H 1 8.529 0.004 . . . . . . . 128 D HN . 50835 1 405 . 1 . 1 128 128 ASP CA C 13 56.441 0.016 . . . . . . . 128 D CA . 50835 1 406 . 1 . 1 128 128 ASP CB C 13 41.171 0.000 . . . . . . . 128 D CB . 50835 1 407 . 1 . 1 128 128 ASP N N 15 125.958 0.024 . . . . . . . 128 D N . 50835 1 408 . 1 . 1 129 129 GLY H H 1 9.061 0.007 . . . . . . . 129 G HN . 50835 1 409 . 1 . 1 129 129 GLY CA C 13 45.761 0.067 . . . . . . . 129 G CA . 50835 1 410 . 1 . 1 129 129 GLY N N 15 113.090 0.063 . . . . . . . 129 G N . 50835 1 411 . 1 . 1 130 130 ILE H H 1 7.778 0.004 . . . . . . . 130 I HN . 50835 1 412 . 1 . 1 130 130 ILE CA C 13 57.974 0.085 . . . . . . . 130 I CA . 50835 1 413 . 1 . 1 130 130 ILE N N 15 118.293 0.060 . . . . . . . 130 I N . 50835 1 414 . 1 . 1 131 131 ILE H H 1 8.865 0.003 . . . . . . . 131 I HN . 50835 1 415 . 1 . 1 131 131 ILE CA C 13 58.270 0.006 . . . . . . . 131 I CA . 50835 1 416 . 1 . 1 131 131 ILE N N 15 123.986 0.054 . . . . . . . 131 I N . 50835 1 417 . 1 . 1 132 132 TRP H H 1 8.606 0.002 . . . . . . . 132 W HN . 50835 1 418 . 1 . 1 132 132 TRP HE1 H 1 10.828 0.002 . . . . . . . 132 W HE1 . 50835 1 419 . 1 . 1 132 132 TRP CA C 13 57.088 0.019 . . . . . . . 132 W CA . 50835 1 420 . 1 . 1 132 132 TRP CB C 13 30.737 0.000 . . . . . . . 132 W CB . 50835 1 421 . 1 . 1 132 132 TRP N N 15 125.316 0.078 . . . . . . . 132 W N . 50835 1 422 . 1 . 1 132 132 TRP NE1 N 15 132.051 0.014 . . . . . . . 132 W NE1 . 50835 1 423 . 1 . 1 133 133 VAL H H 1 9.492 0.007 . . . . . . . 133 V HN . 50835 1 424 . 1 . 1 133 133 VAL CA C 13 59.469 0.025 . . . . . . . 133 V CA . 50835 1 425 . 1 . 1 133 133 VAL N N 15 115.936 0.061 . . . . . . . 133 V N . 50835 1 426 . 1 . 1 134 134 ALA H H 1 8.535 0.006 . . . . . . . 134 A HN . 50835 1 427 . 1 . 1 134 134 ALA CA C 13 52.635 0.088 . . . . . . . 134 A CA . 50835 1 428 . 1 . 1 134 134 ALA CB C 13 21.621 0.000 . . . . . . . 134 A CB . 50835 1 429 . 1 . 1 134 134 ALA N N 15 119.969 0.042 . . . . . . . 134 A N . 50835 1 430 . 1 . 1 135 135 THR H H 1 8.191 0.005 . . . . . . . 135 T HN . 50835 1 431 . 1 . 1 135 135 THR CA C 13 61.187 0.005 . . . . . . . 135 T CA . 50835 1 432 . 1 . 1 135 135 THR CB C 13 69.618 0.000 . . . . . . . 135 T CB . 50835 1 433 . 1 . 1 135 135 THR N N 15 116.310 0.057 . . . . . . . 135 T N . 50835 1 434 . 1 . 1 136 136 GLU H H 1 8.974 0.008 . . . . . . . 136 E HN . 50835 1 435 . 1 . 1 136 136 GLU CA C 13 58.685 0.074 . . . . . . . 136 E CA . 50835 1 436 . 1 . 1 136 136 GLU CB C 13 28.956 0.000 . . . . . . . 136 E CB . 50835 1 437 . 1 . 1 136 136 GLU N N 15 125.576 0.046 . . . . . . . 136 E N . 50835 1 438 . 1 . 1 137 137 GLY H H 1 8.578 0.013 . . . . . . . 137 G HN . 50835 1 439 . 1 . 1 137 137 GLY CA C 13 44.598 0.034 . . . . . . . 137 G CA . 50835 1 440 . 1 . 1 137 137 GLY N N 15 112.610 0.073 . . . . . . . 137 G N . 50835 1 441 . 1 . 1 138 138 ALA H H 1 7.476 0.007 . . . . . . . 138 A HN . 50835 1 442 . 1 . 1 138 138 ALA CA C 13 52.817 0.080 . . . . . . . 138 A CA . 50835 1 443 . 1 . 1 138 138 ALA CB C 13 20.075 0.000 . . . . . . . 138 A CB . 50835 1 444 . 1 . 1 138 138 ALA N N 15 122.774 0.133 . . . . . . . 138 A N . 50835 1 445 . 1 . 1 139 139 LEU H H 1 8.614 0.007 . . . . . . . 139 L HN . 50835 1 446 . 1 . 1 139 139 LEU CA C 13 53.799 0.006 . . . . . . . 139 L CA . 50835 1 447 . 1 . 1 139 139 LEU N N 15 120.519 0.068 . . . . . . . 139 L N . 50835 1 448 . 1 . 1 140 140 ASN H H 1 8.977 0.007 . . . . . . . 140 N HN . 50835 1 449 . 1 . 1 140 140 ASN CA C 13 51.871 0.083 . . . . . . . 140 N CA . 50835 1 450 . 1 . 1 140 140 ASN CB C 13 35.687 0.000 . . . . . . . 140 N CB . 50835 1 451 . 1 . 1 140 140 ASN N N 15 124.795 0.088 . . . . . . . 140 N N . 50835 1 452 . 1 . 1 141 141 THR H H 1 7.687 0.005 . . . . . . . 141 T HN . 50835 1 453 . 1 . 1 141 141 THR CA C 13 57.664 0.000 . . . . . . . 141 T CA . 50835 1 454 . 1 . 1 141 141 THR N N 15 114.367 0.067 . . . . . . . 141 T N . 50835 1 455 . 1 . 1 142 142 PRO CA C 13 62.590 0.000 . . . . . . . 142 P CA . 50835 1 456 . 1 . 1 142 142 PRO CB C 13 32.178 0.000 . . . . . . . 142 P CB . 50835 1 457 . 1 . 1 143 143 LYS H H 1 8.863 0.007 . . . . . . . 143 K HN . 50835 1 458 . 1 . 1 143 143 LYS CA C 13 51.240 0.006 . . . . . . . 143 K CA . 50835 1 459 . 1 . 1 143 143 LYS N N 15 119.836 0.043 . . . . . . . 143 K N . 50835 1 460 . 1 . 1 144 144 ASP H H 1 8.197 0.005 . . . . . . . 144 D HN . 50835 1 461 . 1 . 1 144 144 ASP CA C 13 56.978 0.000 . . . . . . . 144 D CA . 50835 1 462 . 1 . 1 144 144 ASP N N 15 121.484 0.065 . . . . . . . 144 D N . 50835 1 463 . 1 . 1 145 145 HIS CA C 13 57.554 0.023 . . . . . . . 145 H CA . 50835 1 464 . 1 . 1 145 145 HIS CB C 13 29.152 0.000 . . . . . . . 145 H CB . 50835 1 465 . 1 . 1 146 146 ILE H H 1 6.680 0.007 . . . . . . . 146 I HN . 50835 1 466 . 1 . 1 146 146 ILE CA C 13 62.918 0.037 . . . . . . . 146 I CA . 50835 1 467 . 1 . 1 146 146 ILE N N 15 122.191 0.077 . . . . . . . 146 I N . 50835 1 468 . 1 . 1 147 147 GLY H H 1 7.751 0.004 . . . . . . . 147 G HN . 50835 1 469 . 1 . 1 147 147 GLY CA C 13 45.931 0.006 . . . . . . . 147 G CA . 50835 1 470 . 1 . 1 147 147 GLY N N 15 104.432 0.060 . . . . . . . 147 G N . 50835 1 471 . 1 . 1 148 148 THR H H 1 8.308 0.006 . . . . . . . 148 T HN . 50835 1 472 . 1 . 1 148 148 THR CA C 13 60.060 0.005 . . . . . . . 148 T CA . 50835 1 473 . 1 . 1 148 148 THR N N 15 111.318 0.064 . . . . . . . 148 T N . 50835 1 474 . 1 . 1 149 149 ARG H H 1 7.625 0.002 . . . . . . . 149 R HN . 50835 1 475 . 1 . 1 149 149 ARG CA C 13 54.941 0.020 . . . . . . . 149 R CA . 50835 1 476 . 1 . 1 149 149 ARG N N 15 120.302 0.064 . . . . . . . 149 R N . 50835 1 477 . 1 . 1 150 150 ASN H H 1 8.750 0.003 . . . . . . . 150 N HN . 50835 1 478 . 1 . 1 150 150 ASN CA C 13 49.053 0.000 . . . . . . . 150 N CA . 50835 1 479 . 1 . 1 150 150 ASN N N 15 124.616 0.065 . . . . . . . 150 N N . 50835 1 480 . 1 . 1 151 151 PRO CA C 13 63.707 0.052 . . . . . . . 151 P CA . 50835 1 481 . 1 . 1 151 151 PRO CB C 13 32.041 0.000 . . . . . . . 151 P CB . 50835 1 482 . 1 . 1 152 152 ALA H H 1 7.776 0.009 . . . . . . . 152 A HN . 50835 1 483 . 1 . 1 152 152 ALA CA C 13 53.541 0.035 . . . . . . . 152 A CA . 50835 1 484 . 1 . 1 152 152 ALA CB C 13 18.270 0.000 . . . . . . . 152 A CB . 50835 1 485 . 1 . 1 152 152 ALA N N 15 118.130 0.083 . . . . . . . 152 A N . 50835 1 486 . 1 . 1 153 153 ASN H H 1 7.637 0.007 . . . . . . . 153 N HN . 50835 1 487 . 1 . 1 153 153 ASN HD21 H 1 7.499 0.001 . . . . . . . 153 N HD21 . 50835 1 488 . 1 . 1 153 153 ASN HD22 H 1 6.818 0.000 . . . . . . . 153 N HD22 . 50835 1 489 . 1 . 1 153 153 ASN CA C 13 53.009 0.040 . . . . . . . 153 N CA . 50835 1 490 . 1 . 1 153 153 ASN CB C 13 40.881 0.000 . . . . . . . 153 N CB . 50835 1 491 . 1 . 1 153 153 ASN N N 15 112.937 0.078 . . . . . . . 153 N N . 50835 1 492 . 1 . 1 153 153 ASN ND2 N 15 110.919 0.022 . . . . . . . 153 N ND2 . 50835 1 493 . 1 . 1 154 154 ASN H H 1 7.778 0.005 . . . . . . . 154 N HN . 50835 1 494 . 1 . 1 154 154 ASN HD21 H 1 7.951 0.002 . . . . . . . 154 N HD21 . 50835 1 495 . 1 . 1 154 154 ASN HD22 H 1 7.149 0.000 . . . . . . . 154 N HD22 . 50835 1 496 . 1 . 1 154 154 ASN CA C 13 53.405 0.013 . . . . . . . 154 N CA . 50835 1 497 . 1 . 1 154 154 ASN CB C 13 43.771 0.000 . . . . . . . 154 N CB . 50835 1 498 . 1 . 1 154 154 ASN N N 15 116.464 0.088 . . . . . . . 154 N N . 50835 1 499 . 1 . 1 154 154 ASN ND2 N 15 112.808 0.019 . . . . . . . 154 N ND2 . 50835 1 500 . 1 . 1 155 155 ALA H H 1 8.592 0.004 . . . . . . . 155 A HN . 50835 1 501 . 1 . 1 155 155 ALA CA C 13 51.351 0.020 . . . . . . . 155 A CA . 50835 1 502 . 1 . 1 155 155 ALA CB C 13 19.301 0.000 . . . . . . . 155 A CB . 50835 1 503 . 1 . 1 155 155 ALA N N 15 126.668 0.091 . . . . . . . 155 A N . 50835 1 504 . 1 . 1 156 156 ALA H H 1 8.340 0.008 . . . . . . . 156 A HN . 50835 1 505 . 1 . 1 156 156 ALA CA C 13 52.374 0.007 . . . . . . . 156 A CA . 50835 1 506 . 1 . 1 156 156 ALA CB C 13 18.721 0.000 . . . . . . . 156 A CB . 50835 1 507 . 1 . 1 156 156 ALA N N 15 122.402 0.054 . . . . . . . 156 A N . 50835 1 508 . 1 . 1 157 157 ILE H H 1 9.430 0.007 . . . . . . . 157 I HN . 50835 1 509 . 1 . 1 157 157 ILE CA C 13 61.140 0.005 . . . . . . . 157 I CA . 50835 1 510 . 1 . 1 157 157 ILE N N 15 125.916 0.034 . . . . . . . 157 I N . 50835 1 511 . 1 . 1 158 158 VAL H H 1 8.581 0.002 . . . . . . . 158 V HN . 50835 1 512 . 1 . 1 158 158 VAL CA C 13 64.181 0.006 . . . . . . . 158 V CA . 50835 1 513 . 1 . 1 158 158 VAL N N 15 128.550 0.070 . . . . . . . 158 V N . 50835 1 514 . 1 . 1 159 159 LEU H H 1 8.156 0.001 . . . . . . . 159 L HN . 50835 1 515 . 1 . 1 159 159 LEU CA C 13 58.783 0.007 . . . . . . . 159 L CA . 50835 1 516 . 1 . 1 159 159 LEU CB C 13 41.275 0.000 . . . . . . . 159 L CB . 50835 1 517 . 1 . 1 159 159 LEU N N 15 133.286 0.064 . . . . . . . 159 L N . 50835 1 518 . 1 . 1 160 160 GLN H H 1 9.113 0.008 . . . . . . . 160 Q HN . 50835 1 519 . 1 . 1 160 160 GLN CA C 13 54.435 0.014 . . . . . . . 160 Q CA . 50835 1 520 . 1 . 1 160 160 GLN CB C 13 32.388 0.000 . . . . . . . 160 Q CB . 50835 1 521 . 1 . 1 160 160 GLN N N 15 128.538 0.088 . . . . . . . 160 Q N . 50835 1 522 . 1 . 1 161 161 LEU H H 1 8.491 0.010 . . . . . . . 161 L HN . 50835 1 523 . 1 . 1 161 161 LEU CA C 13 51.251 0.000 . . . . . . . 161 L CA . 50835 1 524 . 1 . 1 161 161 LEU N N 15 123.268 0.057 . . . . . . . 161 L N . 50835 1 525 . 1 . 1 162 162 PRO CA C 13 62.750 0.068 . . . . . . . 162 P CA . 50835 1 526 . 1 . 1 162 162 PRO CB C 13 32.144 0.000 . . . . . . . 162 P CB . 50835 1 527 . 1 . 1 163 163 GLN H H 1 8.667 0.011 . . . . . . . 163 Q HN . 50835 1 528 . 1 . 1 163 163 GLN CA C 13 57.809 0.000 . . . . . . . 163 Q CA . 50835 1 529 . 1 . 1 163 163 GLN N N 15 122.760 0.072 . . . . . . . 163 Q N . 50835 1 530 . 1 . 1 164 164 GLY CA C 13 44.847 0.016 . . . . . . . 164 G CA . 50835 1 531 . 1 . 1 165 165 THR H H 1 7.851 0.006 . . . . . . . 165 T HN . 50835 1 532 . 1 . 1 165 165 THR CA C 13 62.684 0.072 . . . . . . . 165 T CA . 50835 1 533 . 1 . 1 165 165 THR CB C 13 69.463 0.000 . . . . . . . 165 T CB . 50835 1 534 . 1 . 1 165 165 THR N N 15 117.171 0.059 . . . . . . . 165 T N . 50835 1 535 . 1 . 1 166 166 THR H H 1 8.791 0.009 . . . . . . . 166 T HN . 50835 1 536 . 1 . 1 166 166 THR CA C 13 61.339 0.075 . . . . . . . 166 T CA . 50835 1 537 . 1 . 1 166 166 THR CB C 13 70.067 0.000 . . . . . . . 166 T CB . 50835 1 538 . 1 . 1 166 166 THR N N 15 122.548 0.077 . . . . . . . 166 T N . 50835 1 539 . 1 . 1 167 167 LEU H H 1 8.369 0.009 . . . . . . . 167 L HN . 50835 1 540 . 1 . 1 167 167 LEU CA C 13 52.488 0.000 . . . . . . . 167 L CA . 50835 1 541 . 1 . 1 167 167 LEU N N 15 127.027 0.036 . . . . . . . 167 L N . 50835 1 542 . 1 . 1 168 168 PRO CA C 13 62.135 0.000 . . . . . . . 168 P CA . 50835 1 543 . 1 . 1 169 169 LYS H H 1 8.240 0.003 . . . . . . . 169 K HN . 50835 1 544 . 1 . 1 169 169 LYS CA C 13 57.841 0.004 . . . . . . . 169 K CA . 50835 1 545 . 1 . 1 169 169 LYS CB C 13 32.205 0.000 . . . . . . . 169 K CB . 50835 1 546 . 1 . 1 169 169 LYS N N 15 121.589 0.044 . . . . . . . 169 K N . 50835 1 547 . 1 . 1 170 170 GLY H H 1 8.692 0.004 . . . . . . . 170 G HN . 50835 1 548 . 1 . 1 170 170 GLY CA C 13 45.154 0.038 . . . . . . . 170 G CA . 50835 1 549 . 1 . 1 170 170 GLY N N 15 110.415 0.063 . . . . . . . 170 G N . 50835 1 550 . 1 . 1 171 171 PHE H H 1 7.490 0.006 . . . . . . . 171 F HN . 50835 1 551 . 1 . 1 171 171 PHE CA C 13 57.202 0.098 . . . . . . . 171 F CA . 50835 1 552 . 1 . 1 171 171 PHE CB C 13 42.131 0.000 . . . . . . . 171 F CB . 50835 1 553 . 1 . 1 171 171 PHE N N 15 117.080 0.062 . . . . . . . 171 F N . 50835 1 554 . 1 . 1 172 172 TYR H H 1 8.642 0.018 . . . . . . . 172 Y HN . 50835 1 555 . 1 . 1 172 172 TYR CA C 13 56.507 0.002 . . . . . . . 172 Y CA . 50835 1 556 . 1 . 1 172 172 TYR CB C 13 41.543 0.040 . . . . . . . 172 Y CB . 50835 1 557 . 1 . 1 172 172 TYR N N 15 118.445 0.154 . . . . . . . 172 Y N . 50835 1 558 . 1 . 1 173 173 ALA H H 1 8.689 0.006 . . . . . . . 173 A HN . 50835 1 559 . 1 . 1 173 173 ALA CA C 13 51.459 0.053 . . . . . . . 173 A CA . 50835 1 560 . 1 . 1 173 173 ALA CB C 13 19.209 0.000 . . . . . . . 173 A CB . 50835 1 561 . 1 . 1 173 173 ALA N N 15 126.704 0.069 . . . . . . . 173 A N . 50835 1 562 . 1 . 1 174 174 GLU H H 1 8.855 0.009 . . . . . . . 174 E HN . 50835 1 563 . 1 . 1 174 174 GLU CA C 13 57.528 0.036 . . . . . . . 174 E CA . 50835 1 564 . 1 . 1 174 174 GLU CB C 13 29.938 0.000 . . . . . . . 174 E CB . 50835 1 565 . 1 . 1 174 174 GLU N N 15 125.063 0.047 . . . . . . . 174 E N . 50835 1 566 . 1 . 1 175 175 GLY H H 1 8.711 0.005 . . . . . . . 175 G HN . 50835 1 567 . 1 . 1 175 175 GLY CA C 13 45.188 0.011 . . . . . . . 175 G CA . 50835 1 568 . 1 . 1 175 175 GLY N N 15 110.902 0.079 . . . . . . . 175 G N . 50835 1 569 . 1 . 1 176 176 SER H H 1 8.071 0.008 . . . . . . . 176 S HN . 50835 1 570 . 1 . 1 176 176 SER CA C 13 58.640 0.000 . . . . . . . 176 S CA . 50835 1 571 . 1 . 1 176 176 SER N N 15 114.693 0.009 . . . . . . . 176 S N . 50835 1 572 . 1 . 1 182 182 ALA H H 1 8.256 0.000 . . . . . . . 182 A HN . 50835 1 573 . 1 . 1 182 182 ALA CA C 13 52.878 0.000 . . . . . . . 182 A CA . 50835 1 574 . 1 . 1 182 182 ALA N N 15 124.778 0.000 . . . . . . . 182 A N . 50835 1 575 . 1 . 1 207 207 PRO CA C 13 63.273 0.010 . . . . . . . 207 P CA . 50835 1 576 . 1 . 1 207 207 PRO CB C 13 31.854 0.000 . . . . . . . 207 P CB . 50835 1 577 . 1 . 1 208 208 ALA H H 1 8.243 0.006 . . . . . . . 208 A HN . 50835 1 578 . 1 . 1 208 208 ALA CA C 13 52.454 0.000 . . . . . . . 208 A CA . 50835 1 579 . 1 . 1 208 208 ALA N N 15 123.949 0.051 . . . . . . . 208 A N . 50835 1 stop_ save_