data_50210 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50210 _Entry.Title ; EAP34 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-12 _Entry.Accession_date 2020-03-12 _Entry.Last_release_date 2020-03-20 _Entry.Original_release_date 2020-03-20 _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 'Backbone Chemical Shift of EAP34' _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 Indrani Pal . . . . 50210 2 Om Prakash . . . . 50210 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Biochemistry and Molecular Biophysics' . 50210 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50210 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 581 50210 '15N chemical shifts' 199 50210 '1H chemical shifts' 199 50210 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 . . 2021-07-27 . original BMRB . 50210 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50210 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33423171 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N, and 13C backbone resonance assignments of the C4b-binding region from the S. aureus extracellular adherence protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 183 _Citation.Page_last 186 _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 Indrani Pal I. . . . 50210 1 2 Nitin Mishra N. . . . 50210 1 3 Alvaro Herrera A. I. . . 50210 1 4 Abhinav Dubey A. . . . 50210 1 5 Haribabu Arthanari H. . . . 50210 1 6 Brian Geisbrecht B. V. . . 50210 1 7 Om Prakash O. . . . 50210 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR Spectroscopy, Bio-NMR, Extracellualr Adherence Protein, EAP chemical shift' 50210 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50210 _Assembly.ID 1 _Assembly.Name EAP34 _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 EAP34 1 $entity_1 . . yes native no no . . . 50210 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50210 _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 ; VPYSINLNGTSTNILSNLSF SNKPWTNYKNLTSQIKSVLK HDRGISEQDLKYAKKAYYTV YFKNGGKRILQLNSKNYTAN LVHAKDVKRIEITVKTGTKA KADRYVPYTIAVNGTSTPIL SKLKISNKQLISYKYLNDKV KSVLKSERGISDLDLKFAKQ AKYTVYFKNGKKQVVNLKSD IFTPNLFSAKDIKKIDIDVK QYTKSKKK ; _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 208 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . VAL . 50210 1 2 . PRO . 50210 1 3 . TYR . 50210 1 4 . SER . 50210 1 5 . ILE . 50210 1 6 . ASN . 50210 1 7 . LEU . 50210 1 8 . ASN . 50210 1 9 . GLY . 50210 1 10 . THR . 50210 1 11 . SER . 50210 1 12 . THR . 50210 1 13 . ASN . 50210 1 14 . ILE . 50210 1 15 . LEU . 50210 1 16 . SER . 50210 1 17 . ASN . 50210 1 18 . LEU . 50210 1 19 . SER . 50210 1 20 . PHE . 50210 1 21 . SER . 50210 1 22 . ASN . 50210 1 23 . LYS . 50210 1 24 . PRO . 50210 1 25 . TRP . 50210 1 26 . THR . 50210 1 27 . ASN . 50210 1 28 . TYR . 50210 1 29 . LYS . 50210 1 30 . ASN . 50210 1 31 . LEU . 50210 1 32 . THR . 50210 1 33 . SER . 50210 1 34 . GLN . 50210 1 35 . ILE . 50210 1 36 . LYS . 50210 1 37 . SER . 50210 1 38 . VAL . 50210 1 39 . LEU . 50210 1 40 . LYS . 50210 1 41 . HIS . 50210 1 42 . ASP . 50210 1 43 . ARG . 50210 1 44 . GLY . 50210 1 45 . ILE . 50210 1 46 . SER . 50210 1 47 . GLU . 50210 1 48 . GLN . 50210 1 49 . ASP . 50210 1 50 . LEU . 50210 1 51 . LYS . 50210 1 52 . TYR . 50210 1 53 . ALA . 50210 1 54 . LYS . 50210 1 55 . LYS . 50210 1 56 . ALA . 50210 1 57 . TYR . 50210 1 58 . TYR . 50210 1 59 . THR . 50210 1 60 . VAL . 50210 1 61 . TYR . 50210 1 62 . PHE . 50210 1 63 . LYS . 50210 1 64 . ASN . 50210 1 65 . GLY . 50210 1 66 . GLY . 50210 1 67 . LYS . 50210 1 68 . ARG . 50210 1 69 . ILE . 50210 1 70 . LEU . 50210 1 71 . GLN . 50210 1 72 . LEU . 50210 1 73 . ASN . 50210 1 74 . SER . 50210 1 75 . LYS . 50210 1 76 . ASN . 50210 1 77 . TYR . 50210 1 78 . THR . 50210 1 79 . ALA . 50210 1 80 . ASN . 50210 1 81 . LEU . 50210 1 82 . VAL . 50210 1 83 . HIS . 50210 1 84 . ALA . 50210 1 85 . LYS . 50210 1 86 . ASP . 50210 1 87 . VAL . 50210 1 88 . LYS . 50210 1 89 . ARG . 50210 1 90 . ILE . 50210 1 91 . GLU . 50210 1 92 . ILE . 50210 1 93 . THR . 50210 1 94 . VAL . 50210 1 95 . LYS . 50210 1 96 . THR . 50210 1 97 . GLY . 50210 1 98 . THR . 50210 1 99 . LYS . 50210 1 100 . ALA . 50210 1 101 . LYS . 50210 1 102 . ALA . 50210 1 103 . ASP . 50210 1 104 . ARG . 50210 1 105 . TYR . 50210 1 106 . VAL . 50210 1 107 . PRO . 50210 1 108 . TYR . 50210 1 109 . THR . 50210 1 110 . ILE . 50210 1 111 . ALA . 50210 1 112 . VAL . 50210 1 113 . ASN . 50210 1 114 . GLY . 50210 1 115 . THR . 50210 1 116 . SER . 50210 1 117 . THR . 50210 1 118 . PRO . 50210 1 119 . ILE . 50210 1 120 . LEU . 50210 1 121 . SER . 50210 1 122 . LYS . 50210 1 123 . LEU . 50210 1 124 . LYS . 50210 1 125 . ILE . 50210 1 126 . SER . 50210 1 127 . ASN . 50210 1 128 . LYS . 50210 1 129 . GLN . 50210 1 130 . LEU . 50210 1 131 . ILE . 50210 1 132 . SER . 50210 1 133 . TYR . 50210 1 134 . LYS . 50210 1 135 . TYR . 50210 1 136 . LEU . 50210 1 137 . ASN . 50210 1 138 . ASP . 50210 1 139 . LYS . 50210 1 140 . VAL . 50210 1 141 . LYS . 50210 1 142 . SER . 50210 1 143 . VAL . 50210 1 144 . LEU . 50210 1 145 . LYS . 50210 1 146 . SER . 50210 1 147 . GLU . 50210 1 148 . ARG . 50210 1 149 . GLY . 50210 1 150 . ILE . 50210 1 151 . SER . 50210 1 152 . ASP . 50210 1 153 . LEU . 50210 1 154 . ASP . 50210 1 155 . LEU . 50210 1 156 . LYS . 50210 1 157 . PHE . 50210 1 158 . ALA . 50210 1 159 . LYS . 50210 1 160 . GLN . 50210 1 161 . ALA . 50210 1 162 . LYS . 50210 1 163 . TYR . 50210 1 164 . THR . 50210 1 165 . VAL . 50210 1 166 . TYR . 50210 1 167 . PHE . 50210 1 168 . LYS . 50210 1 169 . ASN . 50210 1 170 . GLY . 50210 1 171 . LYS . 50210 1 172 . LYS . 50210 1 173 . GLN . 50210 1 174 . VAL . 50210 1 175 . VAL . 50210 1 176 . ASN . 50210 1 177 . LEU . 50210 1 178 . LYS . 50210 1 179 . SER . 50210 1 180 . ASP . 50210 1 181 . ILE . 50210 1 182 . PHE . 50210 1 183 . THR . 50210 1 184 . PRO . 50210 1 185 . ASN . 50210 1 186 . LEU . 50210 1 187 . PHE . 50210 1 188 . SER . 50210 1 189 . ALA . 50210 1 190 . LYS . 50210 1 191 . ASP . 50210 1 192 . ILE . 50210 1 193 . LYS . 50210 1 194 . LYS . 50210 1 195 . ILE . 50210 1 196 . ASP . 50210 1 197 . ILE . 50210 1 198 . ASP . 50210 1 199 . VAL . 50210 1 200 . LYS . 50210 1 201 . GLN . 50210 1 202 . TYR . 50210 1 203 . THR . 50210 1 204 . LYS . 50210 1 205 . SER . 50210 1 206 . LYS . 50210 1 207 . LYS . 50210 1 208 . LYS . 50210 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 . VAL 1 1 50210 1 . PRO 2 2 50210 1 . TYR 3 3 50210 1 . SER 4 4 50210 1 . ILE 5 5 50210 1 . ASN 6 6 50210 1 . LEU 7 7 50210 1 . ASN 8 8 50210 1 . GLY 9 9 50210 1 . THR 10 10 50210 1 . SER 11 11 50210 1 . THR 12 12 50210 1 . ASN 13 13 50210 1 . ILE 14 14 50210 1 . LEU 15 15 50210 1 . SER 16 16 50210 1 . ASN 17 17 50210 1 . LEU 18 18 50210 1 . SER 19 19 50210 1 . PHE 20 20 50210 1 . SER 21 21 50210 1 . ASN 22 22 50210 1 . LYS 23 23 50210 1 . PRO 24 24 50210 1 . TRP 25 25 50210 1 . THR 26 26 50210 1 . ASN 27 27 50210 1 . TYR 28 28 50210 1 . LYS 29 29 50210 1 . ASN 30 30 50210 1 . LEU 31 31 50210 1 . THR 32 32 50210 1 . SER 33 33 50210 1 . GLN 34 34 50210 1 . ILE 35 35 50210 1 . LYS 36 36 50210 1 . SER 37 37 50210 1 . VAL 38 38 50210 1 . LEU 39 39 50210 1 . LYS 40 40 50210 1 . HIS 41 41 50210 1 . ASP 42 42 50210 1 . ARG 43 43 50210 1 . GLY 44 44 50210 1 . ILE 45 45 50210 1 . SER 46 46 50210 1 . GLU 47 47 50210 1 . GLN 48 48 50210 1 . ASP 49 49 50210 1 . LEU 50 50 50210 1 . LYS 51 51 50210 1 . TYR 52 52 50210 1 . ALA 53 53 50210 1 . LYS 54 54 50210 1 . LYS 55 55 50210 1 . ALA 56 56 50210 1 . TYR 57 57 50210 1 . TYR 58 58 50210 1 . THR 59 59 50210 1 . VAL 60 60 50210 1 . TYR 61 61 50210 1 . PHE 62 62 50210 1 . LYS 63 63 50210 1 . ASN 64 64 50210 1 . GLY 65 65 50210 1 . GLY 66 66 50210 1 . LYS 67 67 50210 1 . ARG 68 68 50210 1 . ILE 69 69 50210 1 . LEU 70 70 50210 1 . GLN 71 71 50210 1 . LEU 72 72 50210 1 . ASN 73 73 50210 1 . SER 74 74 50210 1 . LYS 75 75 50210 1 . ASN 76 76 50210 1 . TYR 77 77 50210 1 . THR 78 78 50210 1 . ALA 79 79 50210 1 . ASN 80 80 50210 1 . LEU 81 81 50210 1 . VAL 82 82 50210 1 . HIS 83 83 50210 1 . ALA 84 84 50210 1 . LYS 85 85 50210 1 . ASP 86 86 50210 1 . VAL 87 87 50210 1 . LYS 88 88 50210 1 . ARG 89 89 50210 1 . ILE 90 90 50210 1 . GLU 91 91 50210 1 . ILE 92 92 50210 1 . THR 93 93 50210 1 . VAL 94 94 50210 1 . LYS 95 95 50210 1 . THR 96 96 50210 1 . GLY 97 97 50210 1 . THR 98 98 50210 1 . LYS 99 99 50210 1 . ALA 100 100 50210 1 . LYS 101 101 50210 1 . ALA 102 102 50210 1 . ASP 103 103 50210 1 . ARG 104 104 50210 1 . TYR 105 105 50210 1 . VAL 106 106 50210 1 . PRO 107 107 50210 1 . TYR 108 108 50210 1 . THR 109 109 50210 1 . ILE 110 110 50210 1 . ALA 111 111 50210 1 . VAL 112 112 50210 1 . ASN 113 113 50210 1 . GLY 114 114 50210 1 . THR 115 115 50210 1 . SER 116 116 50210 1 . THR 117 117 50210 1 . PRO 118 118 50210 1 . ILE 119 119 50210 1 . LEU 120 120 50210 1 . SER 121 121 50210 1 . LYS 122 122 50210 1 . LEU 123 123 50210 1 . LYS 124 124 50210 1 . ILE 125 125 50210 1 . SER 126 126 50210 1 . ASN 127 127 50210 1 . LYS 128 128 50210 1 . GLN 129 129 50210 1 . LEU 130 130 50210 1 . ILE 131 131 50210 1 . SER 132 132 50210 1 . TYR 133 133 50210 1 . LYS 134 134 50210 1 . TYR 135 135 50210 1 . LEU 136 136 50210 1 . ASN 137 137 50210 1 . ASP 138 138 50210 1 . LYS 139 139 50210 1 . VAL 140 140 50210 1 . LYS 141 141 50210 1 . SER 142 142 50210 1 . VAL 143 143 50210 1 . LEU 144 144 50210 1 . LYS 145 145 50210 1 . SER 146 146 50210 1 . GLU 147 147 50210 1 . ARG 148 148 50210 1 . GLY 149 149 50210 1 . ILE 150 150 50210 1 . SER 151 151 50210 1 . ASP 152 152 50210 1 . LEU 153 153 50210 1 . ASP 154 154 50210 1 . LEU 155 155 50210 1 . LYS 156 156 50210 1 . PHE 157 157 50210 1 . ALA 158 158 50210 1 . LYS 159 159 50210 1 . GLN 160 160 50210 1 . ALA 161 161 50210 1 . LYS 162 162 50210 1 . TYR 163 163 50210 1 . THR 164 164 50210 1 . VAL 165 165 50210 1 . TYR 166 166 50210 1 . PHE 167 167 50210 1 . LYS 168 168 50210 1 . ASN 169 169 50210 1 . GLY 170 170 50210 1 . LYS 171 171 50210 1 . LYS 172 172 50210 1 . GLN 173 173 50210 1 . VAL 174 174 50210 1 . VAL 175 175 50210 1 . ASN 176 176 50210 1 . LEU 177 177 50210 1 . LYS 178 178 50210 1 . SER 179 179 50210 1 . ASP 180 180 50210 1 . ILE 181 181 50210 1 . PHE 182 182 50210 1 . THR 183 183 50210 1 . PRO 184 184 50210 1 . ASN 185 185 50210 1 . LEU 186 186 50210 1 . PHE 187 187 50210 1 . SER 188 188 50210 1 . ALA 189 189 50210 1 . LYS 190 190 50210 1 . ASP 191 191 50210 1 . ILE 192 192 50210 1 . LYS 193 193 50210 1 . LYS 194 194 50210 1 . ILE 195 195 50210 1 . ASP 196 196 50210 1 . ILE 197 197 50210 1 . ASP 198 198 50210 1 . VAL 199 199 50210 1 . LYS 200 200 50210 1 . GLN 201 201 50210 1 . TYR 202 202 50210 1 . THR 203 203 50210 1 . LYS 204 204 50210 1 . SER 205 205 50210 1 . LYS 206 206 50210 1 . LYS 207 207 50210 1 . LYS 208 208 50210 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 50210 _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 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 50210 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 50210 _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 . 'obtained from a collaborator' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 50210 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50210 _Sample.ID 1 _Sample.Name EAP34 _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 'Extracellular Adherence Protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 800 600 1000 uM . . . . 50210 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 50210 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Native state' _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 pH 6.8 . pH 50210 1 pressure 1 . atm 50210 1 temperature 298 . K 50210 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50210 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50210 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 50210 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Agilent NMR Spectrom' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 50210 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50210 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50210 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50210 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50210 1 5 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50210 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50210 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 50210 _Computing_platform.ID 1 _Computing_platform.Name 'Windows and Linux' _Computing_platform.Reference_ID . _Computing_platform.Site 'Kansas State University' _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 50210 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 50210 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50210 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 50210 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 50210 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name EAP34_BMRB_03122020 _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 3 '3D HNCA' . . . 50210 1 4 '3D HNCACB' . . . 50210 1 5 '3D HCACO' . . . 50210 1 6 '3D HN(CO)CA' . . . 50210 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 . . 50210 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 VAL H H 1 8.701 0.02 . 1 . . . . . 1 VAL H . 50210 1 2 . 1 . 1 1 1 VAL CA C 13 55.275 0.3 . 1 . . . . . 1 VAL CA . 50210 1 3 . 1 . 1 1 1 VAL N N 15 116.767 0.3 . 1 . . . . . 1 VAL N . 50210 1 4 . 1 . 1 3 3 TYR H H 1 8.289 0.02 . 1 . . . . . 3 TYR H . 50210 1 5 . 1 . 1 3 3 TYR C C 13 175.94 0.3 . 1 . . . . . 3 TYR C . 50210 1 6 . 1 . 1 3 3 TYR CA C 13 54.917 0.3 . 1 . . . . . 3 TYR CA . 50210 1 7 . 1 . 1 3 3 TYR CB C 13 42.362 0.3 . 1 . . . . . 3 TYR CB . 50210 1 8 . 1 . 1 3 3 TYR N N 15 127.711 0.3 . 1 . . . . . 3 TYR N . 50210 1 9 . 1 . 1 4 4 SER H H 1 8.178 0.02 . 1 . . . . . 4 SER H . 50210 1 10 . 1 . 1 4 4 SER C C 13 178.856 0.3 . 1 . . . . . 4 SER C . 50210 1 11 . 1 . 1 4 4 SER CA C 13 56.372 0.3 . 1 . . . . . 4 SER CA . 50210 1 12 . 1 . 1 4 4 SER CB C 13 66.353 0.3 . 1 . . . . . 4 SER CB . 50210 1 13 . 1 . 1 4 4 SER N N 15 111.957 0.3 . 1 . . . . . 4 SER N . 50210 1 14 . 1 . 1 5 5 ILE H H 1 8.532 0.02 . 1 . . . . . 5 ILE H . 50210 1 15 . 1 . 1 5 5 ILE C C 13 178.012 0.3 . 1 . . . . . 5 ILE C . 50210 1 16 . 1 . 1 5 5 ILE CA C 13 60.755 0.3 . 1 . . . . . 5 ILE CA . 50210 1 17 . 1 . 1 5 5 ILE CB C 13 41.192 0.3 . 1 . . . . . 5 ILE CB . 50210 1 18 . 1 . 1 5 5 ILE N N 15 120.931 0.3 . 1 . . . . . 5 ILE N . 50210 1 19 . 1 . 1 6 6 ASN H H 1 9.353 0.02 . 1 . . . . . 6 ASN H . 50210 1 20 . 1 . 1 6 6 ASN C C 13 178.622 0.3 . 1 . . . . . 6 ASN C . 50210 1 21 . 1 . 1 6 6 ASN CA C 13 52.279 0.3 . 1 . . . . . 6 ASN CA . 50210 1 22 . 1 . 1 6 6 ASN CB C 13 39.436 0.3 . 1 . . . . . 6 ASN CB . 50210 1 23 . 1 . 1 6 6 ASN N N 15 129.096 0.3 . 1 . . . . . 6 ASN N . 50210 1 24 . 1 . 1 7 7 LEU H H 1 8.202 0.02 . 1 . . . . . 7 LEU H . 50210 1 25 . 1 . 1 7 7 LEU C C 13 176.013 0.3 . 1 . . . . . 7 LEU C . 50210 1 26 . 1 . 1 7 7 LEU CA C 13 52.692 0.3 . 1 . . . . . 7 LEU CA . 50210 1 27 . 1 . 1 7 7 LEU CB C 13 44.064 0.3 . 1 . . . . . 7 LEU CB . 50210 1 28 . 1 . 1 7 7 LEU N N 15 125.914 0.3 . 1 . . . . . 7 LEU N . 50210 1 29 . 1 . 1 8 8 ASN H H 1 9.484 0.02 . 1 . . . . . 8 ASN H . 50210 1 30 . 1 . 1 8 8 ASN C C 13 177.126 0.3 . 1 . . . . . 8 ASN C . 50210 1 31 . 1 . 1 8 8 ASN CA C 13 54.866 0.3 . 1 . . . . . 8 ASN CA . 50210 1 32 . 1 . 1 8 8 ASN CB C 13 36.75 0.3 . 1 . . . . . 8 ASN CB . 50210 1 33 . 1 . 1 8 8 ASN N N 15 125.496 0.3 . 1 . . . . . 8 ASN N . 50210 1 34 . 1 . 1 9 9 GLY H H 1 8.375 0.02 . 1 . . . . . 9 GLY H . 50210 1 35 . 1 . 1 9 9 GLY C C 13 177.437 0.3 . 1 . . . . . 9 GLY C . 50210 1 36 . 1 . 1 9 9 GLY CA C 13 45.873 0.3 . 1 . . . . . 9 GLY CA . 50210 1 37 . 1 . 1 9 9 GLY N N 15 104.123 0.3 . 1 . . . . . 9 GLY N . 50210 1 38 . 1 . 1 10 10 THR H H 1 7.633 0.02 . 1 . . . . . 10 THR H . 50210 1 39 . 1 . 1 10 10 THR C C 13 178.581 0.3 . 1 . . . . . 10 THR C . 50210 1 40 . 1 . 1 10 10 THR CA C 13 61.351 0.3 . 1 . . . . . 10 THR CA . 50210 1 41 . 1 . 1 10 10 THR CB C 13 70.719 0.3 . 1 . . . . . 10 THR CB . 50210 1 42 . 1 . 1 10 10 THR N N 15 115.431 0.3 . 1 . . . . . 10 THR N . 50210 1 43 . 1 . 1 11 11 SER H H 1 8.731 0.02 . 1 . . . . . 11 SER H . 50210 1 44 . 1 . 1 11 11 SER C C 13 178.21 0.3 . 1 . . . . . 11 SER C . 50210 1 45 . 1 . 1 11 11 SER CA C 13 57.981 0.3 . 1 . . . . . 11 SER CA . 50210 1 46 . 1 . 1 11 11 SER CB C 13 64.347 0.3 . 1 . . . . . 11 SER CB . 50210 1 47 . 1 . 1 11 11 SER N N 15 121.265 0.3 . 1 . . . . . 11 SER N . 50210 1 48 . 1 . 1 12 12 THR H H 1 8.196 0.02 . 1 . . . . . 12 THR H . 50210 1 49 . 1 . 1 12 12 THR C C 13 179.406 0.3 . 1 . . . . . 12 THR C . 50210 1 50 . 1 . 1 12 12 THR CA C 13 59.329 0.3 . 1 . . . . . 12 THR CA . 50210 1 51 . 1 . 1 12 12 THR CB C 13 69.598 0.3 . 1 . . . . . 12 THR CB . 50210 1 52 . 1 . 1 12 12 THR N N 15 118.463 0.3 . 1 . . . . . 12 THR N . 50210 1 53 . 1 . 1 13 13 ASN H H 1 8.66 0.02 . 1 . . . . . 13 ASN H . 50210 1 54 . 1 . 1 13 13 ASN C C 13 178.568 0.3 . 1 . . . . . 13 ASN C . 50210 1 55 . 1 . 1 13 13 ASN CA C 13 55.278 0.3 . 1 . . . . . 13 ASN CA . 50210 1 56 . 1 . 1 13 13 ASN CB C 13 41.404 0.3 . 1 . . . . . 13 ASN CB . 50210 1 57 . 1 . 1 13 13 ASN N N 15 119.987 0.3 . 1 . . . . . 13 ASN N . 50210 1 58 . 1 . 1 14 14 ILE H H 1 7.641 0.02 . 1 . . . . . 14 ILE H . 50210 1 59 . 1 . 1 14 14 ILE C C 13 176.362 0.3 . 1 . . . . . 14 ILE C . 50210 1 60 . 1 . 1 14 14 ILE CA C 13 60.211 0.3 . 1 . . . . . 14 ILE CA . 50210 1 61 . 1 . 1 14 14 ILE CB C 13 39.139 0.3 . 1 . . . . . 14 ILE CB . 50210 1 62 . 1 . 1 14 14 ILE N N 15 120.063 0.3 . 1 . . . . . 14 ILE N . 50210 1 63 . 1 . 1 15 15 LEU H H 1 8.444 0.02 . 1 . . . . . 15 LEU H . 50210 1 64 . 1 . 1 15 15 LEU C C 13 175.243 0.3 . 1 . . . . . 15 LEU C . 50210 1 65 . 1 . 1 15 15 LEU CA C 13 54.953 0.3 . 1 . . . . . 15 LEU CA . 50210 1 66 . 1 . 1 15 15 LEU CB C 13 42.043 0.3 . 1 . . . . . 15 LEU CB . 50210 1 67 . 1 . 1 15 15 LEU N N 15 128.47 0.3 . 1 . . . . . 15 LEU N . 50210 1 68 . 1 . 1 16 16 SER H H 1 7.787 0.02 . 1 . . . . . 16 SER H . 50210 1 69 . 1 . 1 16 16 SER C C 13 173.647 0.3 . 1 . . . . . 16 SER C . 50210 1 70 . 1 . 1 16 16 SER CA C 13 59.749 0.3 . 1 . . . . . 16 SER CA . 50210 1 71 . 1 . 1 16 16 SER CB C 13 64.811 0.3 . 1 . . . . . 16 SER CB . 50210 1 72 . 1 . 1 16 16 SER N N 15 122.414 0.3 . 1 . . . . . 16 SER N . 50210 1 73 . 1 . 1 17 17 ASN H H 1 7.649 0.02 . 1 . . . . . 17 ASN H . 50210 1 74 . 1 . 1 17 17 ASN C C 13 176.997 0.3 . 1 . . . . . 17 ASN C . 50210 1 75 . 1 . 1 17 17 ASN CA C 13 53.558 0.3 . 1 . . . . . 17 ASN CA . 50210 1 76 . 1 . 1 17 17 ASN CB C 13 32.467 0.3 . 1 . . . . . 17 ASN CB . 50210 1 77 . 1 . 1 17 17 ASN N N 15 120.148 0.3 . 1 . . . . . 17 ASN N . 50210 1 78 . 1 . 1 18 18 LEU H H 1 9.402 0.02 . 1 . . . . . 18 LEU H . 50210 1 79 . 1 . 1 18 18 LEU C C 13 178.256 0.3 . 1 . . . . . 18 LEU C . 50210 1 80 . 1 . 1 18 18 LEU CA C 13 55.493 0.3 . 1 . . . . . 18 LEU CA . 50210 1 81 . 1 . 1 18 18 LEU CB C 13 40.287 0.3 . 1 . . . . . 18 LEU CB . 50210 1 82 . 1 . 1 18 18 LEU N N 15 124.321 0.3 . 1 . . . . . 18 LEU N . 50210 1 83 . 1 . 1 20 20 PHE H H 1 7.511 0.02 . 1 . . . . . 20 PHE H . 50210 1 84 . 1 . 1 20 20 PHE C C 13 178.407 0.3 . 1 . . . . . 20 PHE C . 50210 1 85 . 1 . 1 20 20 PHE CA C 13 55.772 0.3 . 1 . . . . . 20 PHE CA . 50210 1 86 . 1 . 1 20 20 PHE CB C 13 34.436 0.3 . 1 . . . . . 20 PHE CB . 50210 1 87 . 1 . 1 20 20 PHE N N 15 112.515 0.3 . 1 . . . . . 20 PHE N . 50210 1 88 . 1 . 1 21 21 SER H H 1 8.15 0.02 . 1 . . . . . 21 SER H . 50210 1 89 . 1 . 1 21 21 SER C C 13 174.85 0.3 . 1 . . . . . 21 SER C . 50210 1 90 . 1 . 1 21 21 SER CA C 13 54.283 0.3 . 1 . . . . . 21 SER CA . 50210 1 91 . 1 . 1 21 21 SER CB C 13 69.864 0.3 . 1 . . . . . 21 SER CB . 50210 1 92 . 1 . 1 21 21 SER N N 15 119.426 0.3 . 1 . . . . . 21 SER N . 50210 1 93 . 1 . 1 22 22 ASN H H 1 7.745 0.02 . 1 . . . . . 22 ASN H . 50210 1 94 . 1 . 1 22 22 ASN C C 13 173.372 0.3 . 1 . . . . . 22 ASN C . 50210 1 95 . 1 . 1 22 22 ASN CA C 13 53.62 0.3 . 1 . . . . . 22 ASN CA . 50210 1 96 . 1 . 1 22 22 ASN CB C 13 41.25 0.3 . 1 . . . . . 22 ASN CB . 50210 1 97 . 1 . 1 22 22 ASN N N 15 117.351 0.3 . 1 . . . . . 22 ASN N . 50210 1 98 . 1 . 1 23 23 LYS H H 1 7.783 0.02 . 1 . . . . . 23 LYS H . 50210 1 99 . 1 . 1 23 23 LYS C C 13 174.876 0.3 . 1 . . . . . 23 LYS C . 50210 1 100 . 1 . 1 23 23 LYS CA C 13 53.693 0.3 . 1 . . . . . 23 LYS CA . 50210 1 101 . 1 . 1 23 23 LYS CB C 13 32.941 0.3 . 1 . . . . . 23 LYS CB . 50210 1 102 . 1 . 1 23 23 LYS N N 15 117.186 0.3 . 1 . . . . . 23 LYS N . 50210 1 103 . 1 . 1 25 25 TRP H H 1 8.022 0.02 . 1 . . . . . 25 TRP H . 50210 1 104 . 1 . 1 25 25 TRP C C 13 173.409 0.3 . 1 . . . . . 25 TRP C . 50210 1 105 . 1 . 1 25 25 TRP CA C 13 58.749 0.3 . 1 . . . . . 25 TRP CA . 50210 1 106 . 1 . 1 25 25 TRP CB C 13 28.371 0.3 . 1 . . . . . 25 TRP CB . 50210 1 107 . 1 . 1 25 25 TRP N N 15 122.453 0.3 . 1 . . . . . 25 TRP N . 50210 1 108 . 1 . 1 26 26 THR H H 1 7.277 0.02 . 1 . . . . . 26 THR H . 50210 1 109 . 1 . 1 26 26 THR C C 13 176.63 0.3 . 1 . . . . . 26 THR C . 50210 1 110 . 1 . 1 26 26 THR CA C 13 58.86 0.3 . 1 . . . . . 26 THR CA . 50210 1 111 . 1 . 1 26 26 THR CB C 13 69.758 0.3 . 1 . . . . . 26 THR CB . 50210 1 112 . 1 . 1 26 26 THR N N 15 124.144 0.3 . 1 . . . . . 26 THR N . 50210 1 113 . 1 . 1 27 27 ASN H H 1 8.354 0.02 . 1 . . . . . 27 ASN H . 50210 1 114 . 1 . 1 27 27 ASN C C 13 175.995 0.3 . 1 . . . . . 27 ASN C . 50210 1 115 . 1 . 1 27 27 ASN CA C 13 51.112 0.3 . 1 . . . . . 27 ASN CA . 50210 1 116 . 1 . 1 27 27 ASN CB C 13 37.627 0.3 . 1 . . . . . 27 ASN CB . 50210 1 117 . 1 . 1 27 27 ASN N N 15 118.778 0.3 . 1 . . . . . 27 ASN N . 50210 1 118 . 1 . 1 28 28 TYR H H 1 9.068 0.02 . 1 . . . . . 28 TYR H . 50210 1 119 . 1 . 1 28 28 TYR C C 13 174.378 0.3 . 1 . . . . . 28 TYR C . 50210 1 120 . 1 . 1 28 28 TYR CA C 13 63.234 0.3 . 1 . . . . . 28 TYR CA . 50210 1 121 . 1 . 1 28 28 TYR CB C 13 40.979 0.3 . 1 . . . . . 28 TYR CB . 50210 1 122 . 1 . 1 28 28 TYR N N 15 118.289 0.3 . 1 . . . . . 28 TYR N . 50210 1 123 . 1 . 1 29 29 LYS H H 1 8.34 0.02 . 1 . . . . . 29 LYS H . 50210 1 124 . 1 . 1 29 29 LYS C C 13 173.119 0.3 . 1 . . . . . 29 LYS C . 50210 1 125 . 1 . 1 29 29 LYS CA C 13 60.302 0.3 . 1 . . . . . 29 LYS CA . 50210 1 126 . 1 . 1 29 29 LYS CB C 13 32.606 0.3 . 1 . . . . . 29 LYS CB . 50210 1 127 . 1 . 1 29 29 LYS N N 15 124.136 0.3 . 1 . . . . . 29 LYS N . 50210 1 128 . 1 . 1 30 30 ASN H H 1 8.333 0.02 . 1 . . . . . 30 ASN H . 50210 1 129 . 1 . 1 30 30 ASN C C 13 174.087 0.3 . 1 . . . . . 30 ASN C . 50210 1 130 . 1 . 1 30 30 ASN CA C 13 55.74 0.3 . 1 . . . . . 30 ASN CA . 50210 1 131 . 1 . 1 30 30 ASN CB C 13 37.627 0.3 . 1 . . . . . 30 ASN CB . 50210 1 132 . 1 . 1 30 30 ASN N N 15 118.753 0.3 . 1 . . . . . 30 ASN N . 50210 1 133 . 1 . 1 31 31 LEU H H 1 8.218 0.02 . 1 . . . . . 31 LEU H . 50210 1 134 . 1 . 1 31 31 LEU C C 13 177.971 0.3 . 1 . . . . . 31 LEU C . 50210 1 135 . 1 . 1 31 31 LEU CA C 13 58.041 0.3 . 1 . . . . . 31 LEU CA . 50210 1 136 . 1 . 1 31 31 LEU CB C 13 41.559 0.3 . 1 . . . . . 31 LEU CB . 50210 1 137 . 1 . 1 31 31 LEU N N 15 122.681 0.3 . 1 . . . . . 31 LEU N . 50210 1 138 . 1 . 1 32 32 THR H H 1 8.128 0.02 . 1 . . . . . 32 THR H . 50210 1 139 . 1 . 1 32 32 THR C C 13 178.219 0.3 . 1 . . . . . 32 THR C . 50210 1 140 . 1 . 1 32 32 THR CA C 13 58.97 0.3 . 1 . . . . . 32 THR CA . 50210 1 141 . 1 . 1 32 32 THR CB C 13 69.705 0.3 . 1 . . . . . 32 THR CB . 50210 1 142 . 1 . 1 32 32 THR N N 15 118.628 0.3 . 1 . . . . . 32 THR N . 50210 1 143 . 1 . 1 33 33 SER H H 1 8.006 0.02 . 1 . . . . . 33 SER H . 50210 1 144 . 1 . 1 33 33 SER C C 13 178.412 0.3 . 1 . . . . . 33 SER C . 50210 1 145 . 1 . 1 33 33 SER CA C 13 62.048 0.3 . 1 . . . . . 33 SER CA . 50210 1 146 . 1 . 1 33 33 SER CB C 13 64.087 0.3 . 1 . . . . . 33 SER CB . 50210 1 147 . 1 . 1 33 33 SER N N 15 115.593 0.3 . 1 . . . . . 33 SER N . 50210 1 148 . 1 . 1 35 35 ILE H H 1 8.191 0.02 . 1 . . . . . 35 ILE H . 50210 1 149 . 1 . 1 35 35 ILE C C 13 173.93 0.3 . 1 . . . . . 35 ILE C . 50210 1 150 . 1 . 1 35 35 ILE CA C 13 61.015 0.3 . 1 . . . . . 35 ILE CA . 50210 1 151 . 1 . 1 35 35 ILE CB C 13 38.479 0.3 . 1 . . . . . 35 ILE CB . 50210 1 152 . 1 . 1 35 35 ILE N N 15 121.797 0.3 . 1 . . . . . 35 ILE N . 50210 1 153 . 1 . 1 36 36 LYS H H 1 7.603 0.02 . 1 . . . . . 36 LYS H . 50210 1 154 . 1 . 1 36 36 LYS C C 13 173.693 0.3 . 1 . . . . . 36 LYS C . 50210 1 155 . 1 . 1 36 36 LYS CA C 13 61.836 0.3 . 1 . . . . . 36 LYS CA . 50210 1 156 . 1 . 1 36 36 LYS CB C 13 31.147 0.3 . 1 . . . . . 36 LYS CB . 50210 1 157 . 1 . 1 36 36 LYS N N 15 119.536 0.3 . 1 . . . . . 36 LYS N . 50210 1 158 . 1 . 1 37 37 SER H H 1 7.752 0.02 . 1 . . . . . 37 SER H . 50210 1 159 . 1 . 1 37 37 SER C C 13 175.078 0.3 . 1 . . . . . 37 SER C . 50210 1 160 . 1 . 1 37 37 SER CA C 13 61.783 0.3 . 1 . . . . . 37 SER CA . 50210 1 161 . 1 . 1 37 37 SER CB C 13 62.364 0.3 . 1 . . . . . 37 SER CB . 50210 1 162 . 1 . 1 37 37 SER N N 15 115.534 0.3 . 1 . . . . . 37 SER N . 50210 1 163 . 1 . 1 38 38 VAL H H 1 8.321 0.02 . 1 . . . . . 38 VAL H . 50210 1 164 . 1 . 1 38 38 VAL C C 13 178.458 0.3 . 1 . . . . . 38 VAL C . 50210 1 165 . 1 . 1 38 38 VAL CA C 13 57.647 0.3 . 1 . . . . . 38 VAL CA . 50210 1 166 . 1 . 1 38 38 VAL CB C 13 31.549 0.3 . 1 . . . . . 38 VAL CB . 50210 1 167 . 1 . 1 38 38 VAL N N 15 121.369 0.3 . 1 . . . . . 38 VAL N . 50210 1 168 . 1 . 1 39 39 LEU H H 1 8.309 0.02 . 1 . . . . . 39 LEU H . 50210 1 169 . 1 . 1 39 39 LEU C C 13 177.499 0.3 . 1 . . . . . 39 LEU C . 50210 1 170 . 1 . 1 39 39 LEU CA C 13 54.284 0.3 . 1 . . . . . 39 LEU CA . 50210 1 171 . 1 . 1 39 39 LEU CB C 13 39.215 0.3 . 1 . . . . . 39 LEU CB . 50210 1 172 . 1 . 1 39 39 LEU N N 15 121.491 0.3 . 1 . . . . . 39 LEU N . 50210 1 173 . 1 . 1 40 40 LYS H H 1 7.877 0.02 . 1 . . . . . 40 LYS H . 50210 1 174 . 1 . 1 40 40 LYS C C 13 173.11 0.3 . 1 . . . . . 40 LYS C . 50210 1 175 . 1 . 1 40 40 LYS CA C 13 57.088 0.3 . 1 . . . . . 40 LYS CA . 50210 1 176 . 1 . 1 40 40 LYS CB C 13 32.893 0.3 . 1 . . . . . 40 LYS CB . 50210 1 177 . 1 . 1 40 40 LYS N N 15 120.276 0.3 . 1 . . . . . 40 LYS N . 50210 1 178 . 1 . 1 41 41 HIS H H 1 8.428 0.02 . 1 . . . . . 41 HIS H . 50210 1 179 . 1 . 1 41 41 HIS C C 13 175.012 0.3 . 1 . . . . . 41 HIS C . 50210 1 180 . 1 . 1 41 41 HIS CA C 13 59.565 0.3 . 1 . . . . . 41 HIS CA . 50210 1 181 . 1 . 1 41 41 HIS CB C 13 29.524 0.3 . 1 . . . . . 41 HIS CB . 50210 1 182 . 1 . 1 41 41 HIS N N 15 118.163 0.3 . 1 . . . . . 41 HIS N . 50210 1 183 . 1 . 1 42 42 ASP H H 1 9.3 0.02 . 1 . . . . . 42 ASP H . 50210 1 184 . 1 . 1 42 42 ASP C C 13 173.391 0.3 . 1 . . . . . 42 ASP C . 50210 1 185 . 1 . 1 42 42 ASP CA C 13 56.407 0.3 . 1 . . . . . 42 ASP CA . 50210 1 186 . 1 . 1 42 42 ASP CB C 13 40.553 0.3 . 1 . . . . . 42 ASP CB . 50210 1 187 . 1 . 1 42 42 ASP N N 15 116.592 0.3 . 1 . . . . . 42 ASP N . 50210 1 188 . 1 . 1 43 43 ARG H H 1 7.06 0.02 . 1 . . . . . 43 ARG H . 50210 1 189 . 1 . 1 43 43 ARG C C 13 176.133 0.3 . 1 . . . . . 43 ARG C . 50210 1 190 . 1 . 1 43 43 ARG CA C 13 52.739 0.3 . 1 . . . . . 43 ARG CA . 50210 1 191 . 1 . 1 43 43 ARG CB C 13 32.393 0.3 . 1 . . . . . 43 ARG CB . 50210 1 192 . 1 . 1 43 43 ARG N N 15 112.778 0.3 . 1 . . . . . 43 ARG N . 50210 1 193 . 1 . 1 44 44 GLY H H 1 7.478 0.02 . 1 . . . . . 44 GLY H . 50210 1 194 . 1 . 1 44 44 GLY C C 13 178.1 0.3 . 1 . . . . . 44 GLY C . 50210 1 195 . 1 . 1 44 44 GLY CA C 13 46.84 0.3 . 1 . . . . . 44 GLY CA . 50210 1 196 . 1 . 1 44 44 GLY N N 15 109.866 0.3 . 1 . . . . . 44 GLY N . 50210 1 197 . 1 . 1 45 45 ILE H H 1 7.19 0.02 . 1 . . . . . 45 ILE H . 50210 1 198 . 1 . 1 45 45 ILE C C 13 177.536 0.3 . 1 . . . . . 45 ILE C . 50210 1 199 . 1 . 1 45 45 ILE CA C 13 58.922 0.3 . 1 . . . . . 45 ILE CA . 50210 1 200 . 1 . 1 45 45 ILE CB C 13 37.427 0.3 . 1 . . . . . 45 ILE CB . 50210 1 201 . 1 . 1 45 45 ILE N N 15 121.918 0.3 . 1 . . . . . 45 ILE N . 50210 1 202 . 1 . 1 46 46 SER H H 1 9.366 0.02 . 1 . . . . . 46 SER H . 50210 1 203 . 1 . 1 46 46 SER C C 13 177.398 0.3 . 1 . . . . . 46 SER C . 50210 1 204 . 1 . 1 46 46 SER CA C 13 56.682 0.3 . 1 . . . . . 46 SER CA . 50210 1 205 . 1 . 1 46 46 SER CB C 13 66.726 0.3 . 1 . . . . . 46 SER CB . 50210 1 206 . 1 . 1 46 46 SER N N 15 125.216 0.3 . 1 . . . . . 46 SER N . 50210 1 207 . 1 . 1 47 47 GLU H H 1 8.913 0.02 . 1 . . . . . 47 GLU H . 50210 1 208 . 1 . 1 47 47 GLU C C 13 172.877 0.3 . 1 . . . . . 47 GLU C . 50210 1 209 . 1 . 1 47 47 GLU CA C 13 59.881 0.3 . 1 . . . . . 47 GLU CA . 50210 1 210 . 1 . 1 47 47 GLU CB C 13 29.143 0.3 . 1 . . . . . 47 GLU CB . 50210 1 211 . 1 . 1 47 47 GLU N N 15 120.194 0.3 . 1 . . . . . 47 GLU N . 50210 1 212 . 1 . 1 48 48 GLN H H 1 8.181 0.02 . 1 . . . . . 48 GLN H . 50210 1 213 . 1 . 1 48 48 GLN C C 13 174.537 0.3 . 1 . . . . . 48 GLN C . 50210 1 214 . 1 . 1 48 48 GLN CA C 13 59.009 0.3 . 1 . . . . . 48 GLN CA . 50210 1 215 . 1 . 1 48 48 GLN CB C 13 28.483 0.3 . 1 . . . . . 48 GLN CB . 50210 1 216 . 1 . 1 48 48 GLN N N 15 118.731 0.3 . 1 . . . . . 48 GLN N . 50210 1 217 . 1 . 1 49 49 ASP H H 1 7.539 0.02 . 1 . . . . . 49 ASP H . 50210 1 218 . 1 . 1 49 49 ASP C C 13 172.522 0.3 . 1 . . . . . 49 ASP C . 50210 1 219 . 1 . 1 49 49 ASP CA C 13 57.114 0.3 . 1 . . . . . 49 ASP CA . 50210 1 220 . 1 . 1 49 49 ASP CB C 13 41.037 0.3 . 1 . . . . . 49 ASP CB . 50210 1 221 . 1 . 1 49 49 ASP N N 15 118.473 0.3 . 1 . . . . . 49 ASP N . 50210 1 222 . 1 . 1 50 50 LEU H H 1 7.797 0.02 . 1 . . . . . 50 LEU H . 50210 1 223 . 1 . 1 50 50 LEU C C 13 174.198 0.3 . 1 . . . . . 50 LEU C . 50210 1 224 . 1 . 1 50 50 LEU CA C 13 59.104 0.3 . 1 . . . . . 50 LEU CA . 50210 1 225 . 1 . 1 50 50 LEU CB C 13 38.667 0.3 . 1 . . . . . 50 LEU CB . 50210 1 226 . 1 . 1 50 50 LEU N N 15 120.286 0.3 . 1 . . . . . 50 LEU N . 50210 1 227 . 1 . 1 51 51 LYS H H 1 7.796 0.02 . 1 . . . . . 51 LYS H . 50210 1 228 . 1 . 1 51 51 LYS C C 13 174.216 0.3 . 1 . . . . . 51 LYS C . 50210 1 229 . 1 . 1 51 51 LYS CA C 13 58.993 0.3 . 1 . . . . . 51 LYS CA . 50210 1 230 . 1 . 1 51 51 LYS CB C 13 32.308 0.3 . 1 . . . . . 51 LYS CB . 50210 1 231 . 1 . 1 51 51 LYS N N 15 120.174 0.3 . 1 . . . . . 51 LYS N . 50210 1 232 . 1 . 1 52 52 TYR H H 1 7.003 0.02 . 1 . . . . . 52 TYR H . 50210 1 233 . 1 . 1 52 52 TYR C C 13 177.426 0.3 . 1 . . . . . 52 TYR C . 50210 1 234 . 1 . 1 52 52 TYR CA C 13 56.93 0.3 . 1 . . . . . 52 TYR CA . 50210 1 235 . 1 . 1 52 52 TYR CB C 13 38.106 0.3 . 1 . . . . . 52 TYR CB . 50210 1 236 . 1 . 1 52 52 TYR N N 15 114.071 0.3 . 1 . . . . . 52 TYR N . 50210 1 237 . 1 . 1 53 53 ALA H H 1 7.11 0.02 . 1 . . . . . 53 ALA H . 50210 1 238 . 1 . 1 53 53 ALA C C 13 174.158 0.3 . 1 . . . . . 53 ALA C . 50210 1 239 . 1 . 1 53 53 ALA CA C 13 53.083 0.3 . 1 . . . . . 53 ALA CA . 50210 1 240 . 1 . 1 53 53 ALA CB C 13 18.205 0.3 . 1 . . . . . 53 ALA CB . 50210 1 241 . 1 . 1 53 53 ALA N N 15 122.795 0.3 . 1 . . . . . 53 ALA N . 50210 1 242 . 1 . 1 54 54 LYS H H 1 8.045 0.02 . 1 . . . . . 54 LYS H . 50210 1 243 . 1 . 1 54 54 LYS C C 13 173.959 0.3 . 1 . . . . . 54 LYS C . 50210 1 244 . 1 . 1 54 54 LYS CA C 13 58.115 0.3 . 1 . . . . . 54 LYS CA . 50210 1 245 . 1 . 1 54 54 LYS CB C 13 33.053 0.3 . 1 . . . . . 54 LYS CB . 50210 1 246 . 1 . 1 54 54 LYS N N 15 122.132 0.3 . 1 . . . . . 54 LYS N . 50210 1 247 . 1 . 1 55 55 LYS H H 1 7.768 0.02 . 1 . . . . . 55 LYS H . 50210 1 248 . 1 . 1 55 55 LYS C C 13 177.028 0.3 . 1 . . . . . 55 LYS C . 50210 1 249 . 1 . 1 55 55 LYS CA C 13 55.01 0.3 . 1 . . . . . 55 LYS CA . 50210 1 250 . 1 . 1 55 55 LYS CB C 13 37.222 0.3 . 1 . . . . . 55 LYS CB . 50210 1 251 . 1 . 1 55 55 LYS N N 15 113.663 0.3 . 1 . . . . . 55 LYS N . 50210 1 252 . 1 . 1 56 56 ALA H H 1 9.545 0.02 . 1 . . . . . 56 ALA H . 50210 1 253 . 1 . 1 56 56 ALA C C 13 178.306 0.3 . 1 . . . . . 56 ALA C . 50210 1 254 . 1 . 1 56 56 ALA CA C 13 51.921 0.3 . 1 . . . . . 56 ALA CA . 50210 1 255 . 1 . 1 56 56 ALA CB C 13 19.344 0.3 . 1 . . . . . 56 ALA CB . 50210 1 256 . 1 . 1 56 56 ALA N N 15 125.55 0.3 . 1 . . . . . 56 ALA N . 50210 1 257 . 1 . 1 57 57 TYR H H 1 9.142 0.02 . 1 . . . . . 57 TYR H . 50210 1 258 . 1 . 1 57 57 TYR C C 13 180.388 0.3 . 1 . . . . . 57 TYR C . 50210 1 259 . 1 . 1 57 57 TYR CA C 13 56.302 0.3 . 1 . . . . . 57 TYR CA . 50210 1 260 . 1 . 1 57 57 TYR CB C 13 39.702 0.3 . 1 . . . . . 57 TYR CB . 50210 1 261 . 1 . 1 57 57 TYR N N 15 124.087 0.3 . 1 . . . . . 57 TYR N . 50210 1 262 . 1 . 1 58 58 TYR H H 1 9.509 0.02 . 1 . . . . . 58 TYR H . 50210 1 263 . 1 . 1 58 58 TYR C C 13 180.479 0.3 . 1 . . . . . 58 TYR C . 50210 1 264 . 1 . 1 58 58 TYR CA C 13 55.194 0.3 . 1 . . . . . 58 TYR CA . 50210 1 265 . 1 . 1 58 58 TYR CB C 13 42.365 0.3 . 1 . . . . . 58 TYR CB . 50210 1 266 . 1 . 1 58 58 TYR N N 15 114.431 0.3 . 1 . . . . . 58 TYR N . 50210 1 267 . 1 . 1 59 59 THR H H 1 9.207 0.02 . 1 . . . . . 59 THR H . 50210 1 268 . 1 . 1 59 59 THR C C 13 178.572 0.3 . 1 . . . . . 59 THR C . 50210 1 269 . 1 . 1 59 59 THR CA C 13 61.049 0.3 . 1 . . . . . 59 THR CA . 50210 1 270 . 1 . 1 59 59 THR CB C 13 70.082 0.3 . 1 . . . . . 59 THR CB . 50210 1 271 . 1 . 1 59 59 THR N N 15 117.222 0.3 . 1 . . . . . 59 THR N . 50210 1 272 . 1 . 1 60 60 VAL H H 1 9.177 0.02 . 1 . . . . . 60 VAL H . 50210 1 273 . 1 . 1 60 60 VAL C C 13 178.223 0.3 . 1 . . . . . 60 VAL C . 50210 1 274 . 1 . 1 60 60 VAL CA C 13 61.684 0.3 . 1 . . . . . 60 VAL CA . 50210 1 275 . 1 . 1 60 60 VAL CB C 13 32.532 0.3 . 1 . . . . . 60 VAL CB . 50210 1 276 . 1 . 1 60 60 VAL N N 15 127.386 0.3 . 1 . . . . . 60 VAL N . 50210 1 277 . 1 . 1 61 61 TYR H H 1 8.496 0.02 . 1 . . . . . 61 TYR H . 50210 1 278 . 1 . 1 61 61 TYR C C 13 176.059 0.3 . 1 . . . . . 61 TYR C . 50210 1 279 . 1 . 1 61 61 TYR CA C 13 57.535 0.3 . 1 . . . . . 61 TYR CA . 50210 1 280 . 1 . 1 61 61 TYR CB C 13 38.17 0.3 . 1 . . . . . 61 TYR CB . 50210 1 281 . 1 . 1 61 61 TYR N N 15 124.147 0.3 . 1 . . . . . 61 TYR N . 50210 1 282 . 1 . 1 62 62 PHE H H 1 8.748 0.02 . 1 . . . . . 62 PHE H . 50210 1 283 . 1 . 1 62 62 PHE C C 13 173.693 0.3 . 1 . . . . . 62 PHE C . 50210 1 284 . 1 . 1 62 62 PHE CA C 13 58.053 0.3 . 1 . . . . . 62 PHE CA . 50210 1 285 . 1 . 1 62 62 PHE CB C 13 40.028 0.3 . 1 . . . . . 62 PHE CB . 50210 1 286 . 1 . 1 62 62 PHE N N 15 122.611 0.3 . 1 . . . . . 62 PHE N . 50210 1 287 . 1 . 1 63 63 LYS H H 1 9.035 0.02 . 1 . . . . . 63 LYS H . 50210 1 288 . 1 . 1 63 63 LYS C C 13 174.977 0.3 . 1 . . . . . 63 LYS C . 50210 1 289 . 1 . 1 63 63 LYS CA C 13 60.177 0.3 . 1 . . . . . 63 LYS CA . 50210 1 290 . 1 . 1 63 63 LYS CB C 13 32.579 0.3 . 1 . . . . . 63 LYS CB . 50210 1 291 . 1 . 1 63 63 LYS N N 15 123.763 0.3 . 1 . . . . . 63 LYS N . 50210 1 292 . 1 . 1 64 64 ASN H H 1 8.468 0.02 . 1 . . . . . 64 ASN H . 50210 1 293 . 1 . 1 64 64 ASN C C 13 176.143 0.3 . 1 . . . . . 64 ASN C . 50210 1 294 . 1 . 1 64 64 ASN CA C 13 52.921 0.3 . 1 . . . . . 64 ASN CA . 50210 1 295 . 1 . 1 64 64 ASN CB C 13 37.267 0.3 . 1 . . . . . 64 ASN CB . 50210 1 296 . 1 . 1 64 64 ASN N N 15 115.401 0.3 . 1 . . . . . 64 ASN N . 50210 1 297 . 1 . 1 65 65 GLY H H 1 7.742 0.02 . 1 . . . . . 65 GLY H . 50210 1 298 . 1 . 1 65 65 GLY C C 13 176.841 0.3 . 1 . . . . . 65 GLY C . 50210 1 299 . 1 . 1 65 65 GLY CA C 13 45.042 0.3 . 1 . . . . . 65 GLY CA . 50210 1 300 . 1 . 1 65 65 GLY N N 15 107.68 0.3 . 1 . . . . . 65 GLY N . 50210 1 301 . 1 . 1 66 66 GLY H H 1 8.186 0.02 . 1 . . . . . 66 GLY H . 50210 1 302 . 1 . 1 66 66 GLY C C 13 179.561 0.3 . 1 . . . . . 66 GLY C . 50210 1 303 . 1 . 1 66 66 GLY CA C 13 44.678 0.3 . 1 . . . . . 66 GLY CA . 50210 1 304 . 1 . 1 66 66 GLY N N 15 108.389 0.3 . 1 . . . . . 66 GLY N . 50210 1 305 . 1 . 1 67 67 LYS H H 1 8.521 0.02 . 1 . . . . . 67 LYS H . 50210 1 306 . 1 . 1 67 67 LYS C C 13 176.96 0.3 . 1 . . . . . 67 LYS C . 50210 1 307 . 1 . 1 67 67 LYS CA C 13 55.082 0.3 . 1 . . . . . 67 LYS CA . 50210 1 308 . 1 . 1 67 67 LYS CB C 13 35.94 0.3 . 1 . . . . . 67 LYS CB . 50210 1 309 . 1 . 1 67 67 LYS N N 15 117.507 0.3 . 1 . . . . . 67 LYS N . 50210 1 310 . 1 . 1 68 68 ARG H H 1 8.418 0.02 . 1 . . . . . 68 ARG H . 50210 1 311 . 1 . 1 68 68 ARG C C 13 178.829 0.3 . 1 . . . . . 68 ARG C . 50210 1 312 . 1 . 1 68 68 ARG CA C 13 55.111 0.3 . 1 . . . . . 68 ARG CA . 50210 1 313 . 1 . 1 68 68 ARG CB C 13 34.365 0.3 . 1 . . . . . 68 ARG CB . 50210 1 314 . 1 . 1 68 68 ARG N N 15 121.1 0.3 . 1 . . . . . 68 ARG N . 50210 1 315 . 1 . 1 69 69 ILE H H 1 8.564 0.02 . 1 . . . . . 69 ILE H . 50210 1 316 . 1 . 1 69 69 ILE C C 13 176.976 0.3 . 1 . . . . . 69 ILE C . 50210 1 317 . 1 . 1 69 69 ILE CA C 13 61.113 0.3 . 1 . . . . . 69 ILE CA . 50210 1 318 . 1 . 1 69 69 ILE CB C 13 39.064 0.3 . 1 . . . . . 69 ILE CB . 50210 1 319 . 1 . 1 69 69 ILE N N 15 126.141 0.3 . 1 . . . . . 69 ILE N . 50210 1 320 . 1 . 1 70 70 LEU H H 1 8.996 0.02 . 1 . . . . . 70 LEU H . 50210 1 321 . 1 . 1 70 70 LEU C C 13 176.564 0.3 . 1 . . . . . 70 LEU C . 50210 1 322 . 1 . 1 70 70 LEU CA C 13 52.554 0.3 . 1 . . . . . 70 LEU CA . 50210 1 323 . 1 . 1 70 70 LEU CB C 13 42.345 0.3 . 1 . . . . . 70 LEU CB . 50210 1 324 . 1 . 1 70 70 LEU N N 15 132.312 0.3 . 1 . . . . . 70 LEU N . 50210 1 325 . 1 . 1 71 71 GLN H H 1 8.689 0.02 . 1 . . . . . 71 GLN H . 50210 1 326 . 1 . 1 71 71 GLN C C 13 173.95 0.3 . 1 . . . . . 71 GLN C . 50210 1 327 . 1 . 1 71 71 GLN CA C 13 54.808 0.3 . 1 . . . . . 71 GLN CA . 50210 1 328 . 1 . 1 71 71 GLN CB C 13 28.24 0.3 . 1 . . . . . 71 GLN CB . 50210 1 329 . 1 . 1 71 71 GLN N N 15 118.875 0.3 . 1 . . . . . 71 GLN N . 50210 1 330 . 1 . 1 72 72 LEU H H 1 8.449 0.02 . 1 . . . . . 72 LEU H . 50210 1 331 . 1 . 1 72 72 LEU C C 13 175.83 0.3 . 1 . . . . . 72 LEU C . 50210 1 332 . 1 . 1 72 72 LEU CA C 13 57.178 0.3 . 1 . . . . . 72 LEU CA . 50210 1 333 . 1 . 1 72 72 LEU CB C 13 42.092 0.3 . 1 . . . . . 72 LEU CB . 50210 1 334 . 1 . 1 72 72 LEU N N 15 122.334 0.3 . 1 . . . . . 72 LEU N . 50210 1 335 . 1 . 1 73 73 ASN H H 1 8.445 0.02 . 1 . . . . . 73 ASN H . 50210 1 336 . 1 . 1 73 73 ASN C C 13 177.025 0.3 . 1 . . . . . 73 ASN C . 50210 1 337 . 1 . 1 73 73 ASN CA C 13 52.511 0.3 . 1 . . . . . 73 ASN CA . 50210 1 338 . 1 . 1 73 73 ASN CB C 13 38.415 0.3 . 1 . . . . . 73 ASN CB . 50210 1 339 . 1 . 1 73 73 ASN N N 15 115.005 0.3 . 1 . . . . . 73 ASN N . 50210 1 340 . 1 . 1 74 74 SER H H 1 7.042 0.02 . 1 . . . . . 74 SER H . 50210 1 341 . 1 . 1 74 74 SER C C 13 177.957 0.3 . 1 . . . . . 74 SER C . 50210 1 342 . 1 . 1 74 74 SER CA C 13 58.009 0.3 . 1 . . . . . 74 SER CA . 50210 1 343 . 1 . 1 74 74 SER CB C 13 64.263 0.3 . 1 . . . . . 74 SER CB . 50210 1 344 . 1 . 1 74 74 SER N N 15 113.367 0.3 . 1 . . . . . 74 SER N . 50210 1 345 . 1 . 1 76 76 ASN H H 1 7.85 0.02 . 1 . . . . . 76 ASN H . 50210 1 346 . 1 . 1 76 76 ASN C C 13 178.412 0.3 . 1 . . . . . 76 ASN C . 50210 1 347 . 1 . 1 76 76 ASN CA C 13 52.444 0.3 . 1 . . . . . 76 ASN CA . 50210 1 348 . 1 . 1 76 76 ASN CB C 13 39.968 0.3 . 1 . . . . . 76 ASN CB . 50210 1 349 . 1 . 1 76 76 ASN N N 15 117.7 0.3 . 1 . . . . . 76 ASN N . 50210 1 350 . 1 . 1 77 77 TYR H H 1 8.304 0.02 . 1 . . . . . 77 TYR H . 50210 1 351 . 1 . 1 77 77 TYR C C 13 175.885 0.3 . 1 . . . . . 77 TYR C . 50210 1 352 . 1 . 1 77 77 TYR CA C 13 57.563 0.3 . 1 . . . . . 77 TYR CA . 50210 1 353 . 1 . 1 77 77 TYR CB C 13 40.181 0.3 . 1 . . . . . 77 TYR CB . 50210 1 354 . 1 . 1 77 77 TYR N N 15 120.328 0.3 . 1 . . . . . 77 TYR N . 50210 1 355 . 1 . 1 78 78 THR H H 1 8.224 0.02 . 1 . . . . . 78 THR H . 50210 1 356 . 1 . 1 78 78 THR C C 13 176.022 0.3 . 1 . . . . . 78 THR C . 50210 1 357 . 1 . 1 78 78 THR CA C 13 61.938 0.3 . 1 . . . . . 78 THR CA . 50210 1 358 . 1 . 1 78 78 THR CB C 13 69.545 0.3 . 1 . . . . . 78 THR CB . 50210 1 359 . 1 . 1 78 78 THR N N 15 114.884 0.3 . 1 . . . . . 78 THR N . 50210 1 360 . 1 . 1 79 79 ALA H H 1 8.041 0.02 . 1 . . . . . 79 ALA H . 50210 1 361 . 1 . 1 79 79 ALA C C 13 174.693 0.3 . 1 . . . . . 79 ALA C . 50210 1 362 . 1 . 1 79 79 ALA CA C 13 52.408 0.3 . 1 . . . . . 79 ALA CA . 50210 1 363 . 1 . 1 79 79 ALA CB C 13 19.222 0.3 . 1 . . . . . 79 ALA CB . 50210 1 364 . 1 . 1 79 79 ALA N N 15 125.845 0.3 . 1 . . . . . 79 ALA N . 50210 1 365 . 1 . 1 80 80 ASN H H 1 8.039 0.02 . 1 . . . . . 80 ASN H . 50210 1 366 . 1 . 1 80 80 ASN C C 13 174.049 0.3 . 1 . . . . . 80 ASN C . 50210 1 367 . 1 . 1 80 80 ASN CA C 13 54.129 0.3 . 1 . . . . . 80 ASN CA . 50210 1 368 . 1 . 1 80 80 ASN CB C 13 39.391 0.3 . 1 . . . . . 80 ASN CB . 50210 1 369 . 1 . 1 80 80 ASN N N 15 117.758 0.3 . 1 . . . . . 80 ASN N . 50210 1 370 . 1 . 1 81 81 LEU H H 1 8.014 0.02 . 1 . . . . . 81 LEU H . 50210 1 371 . 1 . 1 81 81 LEU C C 13 176.55 0.3 . 1 . . . . . 81 LEU C . 50210 1 372 . 1 . 1 81 81 LEU CA C 13 58.608 0.3 . 1 . . . . . 81 LEU CA . 50210 1 373 . 1 . 1 81 81 LEU CB C 13 41.458 0.3 . 1 . . . . . 81 LEU CB . 50210 1 374 . 1 . 1 81 81 LEU N N 15 122.263 0.3 . 1 . . . . . 81 LEU N . 50210 1 375 . 1 . 1 83 83 HIS H H 1 7.569 0.02 . 1 . . . . . 83 HIS H . 50210 1 376 . 1 . 1 83 83 HIS C C 13 175.738 0.3 . 1 . . . . . 83 HIS C . 50210 1 377 . 1 . 1 83 83 HIS CA C 13 55.172 0.3 . 1 . . . . . 83 HIS CA . 50210 1 378 . 1 . 1 83 83 HIS CB C 13 31.167 0.3 . 1 . . . . . 83 HIS CB . 50210 1 379 . 1 . 1 83 83 HIS N N 15 116.455 0.3 . 1 . . . . . 83 HIS N . 50210 1 380 . 1 . 1 84 84 ALA H H 1 8.353 0.02 . 1 . . . . . 84 ALA H . 50210 1 381 . 1 . 1 84 84 ALA C C 13 172.62 0.3 . 1 . . . . . 84 ALA C . 50210 1 382 . 1 . 1 84 84 ALA CA C 13 55.58 0.3 . 1 . . . . . 84 ALA CA . 50210 1 383 . 1 . 1 84 84 ALA CB C 13 17.839 0.3 . 1 . . . . . 84 ALA CB . 50210 1 384 . 1 . 1 84 84 ALA N N 15 127.924 0.3 . 1 . . . . . 84 ALA N . 50210 1 385 . 1 . 1 85 85 LYS H H 1 8.913 0.02 . 1 . . . . . 85 LYS H . 50210 1 386 . 1 . 1 85 85 LYS C C 13 175.582 0.3 . 1 . . . . . 85 LYS C . 50210 1 387 . 1 . 1 85 85 LYS CA C 13 57.788 0.3 . 1 . . . . . 85 LYS CA . 50210 1 388 . 1 . 1 85 85 LYS CB C 13 31.457 0.3 . 1 . . . . . 85 LYS CB . 50210 1 389 . 1 . 1 85 85 LYS N N 15 114.336 0.3 . 1 . . . . . 85 LYS N . 50210 1 390 . 1 . 1 86 86 ASP H H 1 7.686 0.02 . 1 . . . . . 86 ASP H . 50210 1 391 . 1 . 1 86 86 ASP C C 13 175.536 0.3 . 1 . . . . . 86 ASP C . 50210 1 392 . 1 . 1 86 86 ASP CA C 13 54.909 0.3 . 1 . . . . . 86 ASP CA . 50210 1 393 . 1 . 1 86 86 ASP CB C 13 41.834 0.3 . 1 . . . . . 86 ASP CB . 50210 1 394 . 1 . 1 86 86 ASP N N 15 117.436 0.3 . 1 . . . . . 86 ASP N . 50210 1 395 . 1 . 1 87 87 VAL H H 1 7.582 0.02 . 1 . . . . . 87 VAL H . 50210 1 396 . 1 . 1 87 87 VAL C C 13 177.847 0.3 . 1 . . . . . 87 VAL C . 50210 1 397 . 1 . 1 87 87 VAL CA C 13 63.85 0.3 . 1 . . . . . 87 VAL CA . 50210 1 398 . 1 . 1 87 87 VAL CB C 13 32.627 0.3 . 1 . . . . . 87 VAL CB . 50210 1 399 . 1 . 1 87 87 VAL N N 15 122.795 0.3 . 1 . . . . . 87 VAL N . 50210 1 400 . 1 . 1 88 88 LYS H H 1 9.405 0.02 . 1 . . . . . 88 LYS H . 50210 1 401 . 1 . 1 88 88 LYS C C 13 176.16 0.3 . 1 . . . . . 88 LYS C . 50210 1 402 . 1 . 1 88 88 LYS CA C 13 57.783 0.3 . 1 . . . . . 88 LYS CA . 50210 1 403 . 1 . 1 88 88 LYS CB C 13 34.648 0.3 . 1 . . . . . 88 LYS CB . 50210 1 404 . 1 . 1 88 88 LYS N N 15 127.667 0.3 . 1 . . . . . 88 LYS N . 50210 1 405 . 1 . 1 89 89 ARG H H 1 7.531 0.02 . 1 . . . . . 89 ARG H . 50210 1 406 . 1 . 1 89 89 ARG C C 13 178.862 0.3 . 1 . . . . . 89 ARG C . 50210 1 407 . 1 . 1 89 89 ARG CA C 13 55.274 0.3 . 1 . . . . . 89 ARG CA . 50210 1 408 . 1 . 1 89 89 ARG CB C 13 31.882 0.3 . 1 . . . . . 89 ARG CB . 50210 1 409 . 1 . 1 89 89 ARG N N 15 110.764 0.3 . 1 . . . . . 89 ARG N . 50210 1 410 . 1 . 1 90 90 ILE H H 1 8.648 0.02 . 1 . . . . . 90 ILE H . 50210 1 411 . 1 . 1 90 90 ILE C C 13 176.912 0.3 . 1 . . . . . 90 ILE C . 50210 1 412 . 1 . 1 90 90 ILE CA C 13 60.157 0.3 . 1 . . . . . 90 ILE CA . 50210 1 413 . 1 . 1 90 90 ILE CB C 13 41.412 0.3 . 1 . . . . . 90 ILE CB . 50210 1 414 . 1 . 1 90 90 ILE N N 15 119.987 0.3 . 1 . . . . . 90 ILE N . 50210 1 415 . 1 . 1 91 91 GLU H H 1 9.125 0.02 . 1 . . . . . 91 GLU H . 50210 1 416 . 1 . 1 91 91 GLU C C 13 175.977 0.3 . 1 . . . . . 91 GLU C . 50210 1 417 . 1 . 1 91 91 GLU CA C 13 54.751 0.3 . 1 . . . . . 91 GLU CA . 50210 1 418 . 1 . 1 91 91 GLU CB C 13 33.372 0.3 . 1 . . . . . 91 GLU CB . 50210 1 419 . 1 . 1 91 91 GLU N N 15 127.051 0.3 . 1 . . . . . 91 GLU N . 50210 1 420 . 1 . 1 92 92 ILE H H 1 9.255 0.02 . 1 . . . . . 92 ILE H . 50210 1 421 . 1 . 1 92 92 ILE C C 13 178.59 0.3 . 1 . . . . . 92 ILE C . 50210 1 422 . 1 . 1 92 92 ILE CA C 13 61.828 0.3 . 1 . . . . . 92 ILE CA . 50210 1 423 . 1 . 1 92 92 ILE CB C 13 39.649 0.3 . 1 . . . . . 92 ILE CB . 50210 1 424 . 1 . 1 92 92 ILE N N 15 131.703 0.3 . 1 . . . . . 92 ILE N . 50210 1 425 . 1 . 1 93 93 THR H H 1 9.25 0.02 . 1 . . . . . 93 THR H . 50210 1 426 . 1 . 1 93 93 THR C C 13 179.837 0.3 . 1 . . . . . 93 THR C . 50210 1 427 . 1 . 1 93 93 THR CA C 13 62.791 0.3 . 1 . . . . . 93 THR CA . 50210 1 428 . 1 . 1 93 93 THR CB C 13 69.811 0.3 . 1 . . . . . 93 THR CB . 50210 1 429 . 1 . 1 93 93 THR N N 15 126.898 0.3 . 1 . . . . . 93 THR N . 50210 1 430 . 1 . 1 94 94 VAL H H 1 8.532 0.02 . 1 . . . . . 94 VAL H . 50210 1 431 . 1 . 1 94 94 VAL C C 13 177.352 0.3 . 1 . . . . . 94 VAL C . 50210 1 432 . 1 . 1 94 94 VAL CA C 13 60.039 0.3 . 1 . . . . . 94 VAL CA . 50210 1 433 . 1 . 1 94 94 VAL CB C 13 36.138 0.3 . 1 . . . . . 94 VAL CB . 50210 1 434 . 1 . 1 94 94 VAL N N 15 123.487 0.3 . 1 . . . . . 94 VAL N . 50210 1 435 . 1 . 1 95 95 LYS H H 1 9.15 0.02 . 1 . . . . . 95 LYS H . 50210 1 436 . 1 . 1 95 95 LYS C C 13 175.481 0.3 . 1 . . . . . 95 LYS C . 50210 1 437 . 1 . 1 95 95 LYS CA C 13 54.673 0.3 . 1 . . . . . 95 LYS CA . 50210 1 438 . 1 . 1 95 95 LYS CB C 13 35.446 0.3 . 1 . . . . . 95 LYS CB . 50210 1 439 . 1 . 1 95 95 LYS N N 15 130.282 0.3 . 1 . . . . . 95 LYS N . 50210 1 440 . 1 . 1 96 96 THR H H 1 9.802 0.02 . 1 . . . . . 96 THR H . 50210 1 441 . 1 . 1 96 96 THR C C 13 177.536 0.3 . 1 . . . . . 96 THR C . 50210 1 442 . 1 . 1 96 96 THR CA C 13 62.224 0.3 . 1 . . . . . 96 THR CA . 50210 1 443 . 1 . 1 96 96 THR CB C 13 70.13 0.3 . 1 . . . . . 96 THR CB . 50210 1 444 . 1 . 1 96 96 THR N N 15 119.05 0.3 . 1 . . . . . 96 THR N . 50210 1 445 . 1 . 1 97 97 GLY H H 1 8.863 0.02 . 1 . . . . . 97 GLY H . 50210 1 446 . 1 . 1 97 97 GLY C C 13 177.627 0.3 . 1 . . . . . 97 GLY C . 50210 1 447 . 1 . 1 97 97 GLY CA C 13 44.749 0.3 . 1 . . . . . 97 GLY CA . 50210 1 448 . 1 . 1 97 97 GLY N N 15 108.76 0.3 . 1 . . . . . 97 GLY N . 50210 1 449 . 1 . 1 98 98 THR H H 1 8.504 0.02 . 1 . . . . . 98 THR H . 50210 1 450 . 1 . 1 98 98 THR C C 13 175.408 0.3 . 1 . . . . . 98 THR C . 50210 1 451 . 1 . 1 98 98 THR CA C 13 61.452 0.3 . 1 . . . . . 98 THR CA . 50210 1 452 . 1 . 1 98 98 THR CB C 13 70.343 0.3 . 1 . . . . . 98 THR CB . 50210 1 453 . 1 . 1 98 98 THR N N 15 117.507 0.3 . 1 . . . . . 98 THR N . 50210 1 454 . 1 . 1 99 99 LYS H H 1 7.36 0.02 . 1 . . . . . 99 LYS H . 50210 1 455 . 1 . 1 99 99 LYS C C 13 176.179 0.3 . 1 . . . . . 99 LYS C . 50210 1 456 . 1 . 1 99 99 LYS CB C 13 32.893 0.3 . 1 . . . . . 99 LYS CB . 50210 1 457 . 1 . 1 99 99 LYS N N 15 111.699 0.3 . 1 . . . . . 99 LYS N . 50210 1 458 . 1 . 1 100 100 ALA H H 1 7.992 0.02 . 1 . . . . . 100 ALA H . 50210 1 459 . 1 . 1 100 100 ALA C C 13 175.812 0.3 . 1 . . . . . 100 ALA C . 50210 1 460 . 1 . 1 100 100 ALA CA C 13 52.352 0.3 . 1 . . . . . 100 ALA CA . 50210 1 461 . 1 . 1 100 100 ALA CB C 13 19.434 0.3 . 1 . . . . . 100 ALA CB . 50210 1 462 . 1 . 1 100 100 ALA N N 15 126.199 0.3 . 1 . . . . . 100 ALA N . 50210 1 463 . 1 . 1 101 101 LYS H H 1 7.83 0.02 . 1 . . . . . 101 LYS H . 50210 1 464 . 1 . 1 101 101 LYS C C 13 177.061 0.3 . 1 . . . . . 101 LYS C . 50210 1 465 . 1 . 1 101 101 LYS CA C 13 55.689 0.3 . 1 . . . . . 101 LYS CA . 50210 1 466 . 1 . 1 101 101 LYS CB C 13 33.142 0.3 . 1 . . . . . 101 LYS CB . 50210 1 467 . 1 . 1 101 101 LYS N N 15 125.413 0.3 . 1 . . . . . 101 LYS N . 50210 1 468 . 1 . 1 102 102 ALA H H 1 8.112 0.02 . 1 . . . . . 102 ALA H . 50210 1 469 . 1 . 1 102 102 ALA C C 13 176.207 0.3 . 1 . . . . . 102 ALA C . 50210 1 470 . 1 . 1 102 102 ALA CA C 13 55.165 0.3 . 1 . . . . . 102 ALA CA . 50210 1 471 . 1 . 1 102 102 ALA CB C 13 19.275 0.3 . 1 . . . . . 102 ALA CB . 50210 1 472 . 1 . 1 102 102 ALA N N 15 119.963 0.3 . 1 . . . . . 102 ALA N . 50210 1 473 . 1 . 1 103 103 ASP H H 1 7.541 0.02 . 1 . . . . . 103 ASP H . 50210 1 474 . 1 . 1 103 103 ASP C C 13 176.29 0.3 . 1 . . . . . 103 ASP C . 50210 1 475 . 1 . 1 103 103 ASP CA C 13 57.757 0.3 . 1 . . . . . 103 ASP CA . 50210 1 476 . 1 . 1 103 103 ASP N N 15 114.291 0.3 . 1 . . . . . 103 ASP N . 50210 1 477 . 1 . 1 104 104 ARG H H 1 7.54 0.02 . 1 . . . . . 104 ARG H . 50210 1 478 . 1 . 1 104 104 ARG C C 13 177.089 0.3 . 1 . . . . . 104 ARG C . 50210 1 479 . 1 . 1 104 104 ARG CA C 13 62.334 0.3 . 1 . . . . . 104 ARG CA . 50210 1 480 . 1 . 1 104 104 ARG CB C 13 30.286 0.3 . 1 . . . . . 104 ARG CB . 50210 1 481 . 1 . 1 104 104 ARG N N 15 116.341 0.3 . 1 . . . . . 104 ARG N . 50210 1 482 . 1 . 1 105 105 TYR H H 1 8.292 0.02 . 1 . . . . . 105 TYR H . 50210 1 483 . 1 . 1 105 105 TYR C C 13 174.985 0.3 . 1 . . . . . 105 TYR C . 50210 1 484 . 1 . 1 105 105 TYR CA C 13 63.409 0.3 . 1 . . . . . 105 TYR CA . 50210 1 485 . 1 . 1 105 105 TYR CB C 13 41.138 0.3 . 1 . . . . . 105 TYR CB . 50210 1 486 . 1 . 1 105 105 TYR N N 15 121.59 0.3 . 1 . . . . . 105 TYR N . 50210 1 487 . 1 . 1 106 106 VAL H H 1 7.744 0.02 . 1 . . . . . 106 VAL H . 50210 1 488 . 1 . 1 106 106 VAL C C 13 173.895 0.3 . 1 . . . . . 106 VAL C . 50210 1 489 . 1 . 1 106 106 VAL CA C 13 60.195 0.3 . 1 . . . . . 106 VAL CA . 50210 1 490 . 1 . 1 106 106 VAL CB C 13 31.967 0.3 . 1 . . . . . 106 VAL CB . 50210 1 491 . 1 . 1 106 106 VAL N N 15 120.046 0.3 . 1 . . . . . 106 VAL N . 50210 1 492 . 1 . 1 108 108 TYR H H 1 8.29 0.02 . 1 . . . . . 108 TYR H . 50210 1 493 . 1 . 1 108 108 TYR C C 13 178.242 0.3 . 1 . . . . . 108 TYR C . 50210 1 494 . 1 . 1 108 108 TYR CA C 13 55.303 0.3 . 1 . . . . . 108 TYR CA . 50210 1 495 . 1 . 1 108 108 TYR CB C 13 41.887 0.3 . 1 . . . . . 108 TYR CB . 50210 1 496 . 1 . 1 108 108 TYR N N 15 117.001 0.3 . 1 . . . . . 108 TYR N . 50210 1 497 . 1 . 1 109 109 THR H H 1 8.344 0.02 . 1 . . . . . 109 THR H . 50210 1 498 . 1 . 1 109 109 THR C C 13 177.916 0.3 . 1 . . . . . 109 THR C . 50210 1 499 . 1 . 1 109 109 THR CA C 13 59.388 0.3 . 1 . . . . . 109 THR CA . 50210 1 500 . 1 . 1 109 109 THR CB C 13 72.1 0.3 . 1 . . . . . 109 THR CB . 50210 1 501 . 1 . 1 109 109 THR N N 15 109.615 0.3 . 1 . . . . . 109 THR N . 50210 1 502 . 1 . 1 110 110 ILE H H 1 8.601 0.02 . 1 . . . . . 110 ILE H . 50210 1 503 . 1 . 1 110 110 ILE C C 13 178.233 0.3 . 1 . . . . . 110 ILE C . 50210 1 504 . 1 . 1 110 110 ILE CA C 13 61.148 0.3 . 1 . . . . . 110 ILE CA . 50210 1 505 . 1 . 1 110 110 ILE CB C 13 41.289 0.3 . 1 . . . . . 110 ILE CB . 50210 1 506 . 1 . 1 110 110 ILE N N 15 119.634 0.3 . 1 . . . . . 110 ILE N . 50210 1 507 . 1 . 1 111 111 ALA H H 1 8.602 0.02 . 1 . . . . . 111 ALA H . 50210 1 508 . 1 . 1 111 111 ALA C C 13 176.374 0.3 . 1 . . . . . 111 ALA C . 50210 1 509 . 1 . 1 111 111 ALA CA C 13 51.013 0.3 . 1 . . . . . 111 ALA CA . 50210 1 510 . 1 . 1 111 111 ALA CB C 13 20.521 0.3 . 1 . . . . . 111 ALA CB . 50210 1 511 . 1 . 1 111 111 ALA N N 15 132.671 0.3 . 1 . . . . . 111 ALA N . 50210 1 512 . 1 . 1 112 112 VAL H H 1 8.109 0.02 . 1 . . . . . 112 VAL H . 50210 1 513 . 1 . 1 112 112 VAL C C 13 175.206 0.3 . 1 . . . . . 112 VAL C . 50210 1 514 . 1 . 1 112 112 VAL CA C 13 60.342 0.3 . 1 . . . . . 112 VAL CA . 50210 1 515 . 1 . 1 112 112 VAL CB C 13 34.035 0.3 . 1 . . . . . 112 VAL CB . 50210 1 516 . 1 . 1 112 112 VAL N N 15 119.753 0.3 . 1 . . . . . 112 VAL N . 50210 1 517 . 1 . 1 113 113 ASN H H 1 9.308 0.02 . 1 . . . . . 113 ASN H . 50210 1 518 . 1 . 1 113 113 ASN C C 13 176.519 0.3 . 1 . . . . . 113 ASN C . 50210 1 519 . 1 . 1 113 113 ASN CA C 13 54.503 0.3 . 1 . . . . . 113 ASN CA . 50210 1 520 . 1 . 1 113 113 ASN CB C 13 37.627 0.3 . 1 . . . . . 113 ASN CB . 50210 1 521 . 1 . 1 113 113 ASN N N 15 124.553 0.3 . 1 . . . . . 113 ASN N . 50210 1 522 . 1 . 1 114 114 GLY H H 1 9.234 0.02 . 1 . . . . . 114 GLY H . 50210 1 523 . 1 . 1 114 114 GLY C C 13 177.677 0.3 . 1 . . . . . 114 GLY C . 50210 1 524 . 1 . 1 114 114 GLY CA C 13 45.376 0.3 . 1 . . . . . 114 GLY CA . 50210 1 525 . 1 . 1 114 114 GLY N N 15 105.946 0.3 . 1 . . . . . 114 GLY N . 50210 1 526 . 1 . 1 115 115 THR H H 1 7.721 0.02 . 1 . . . . . 115 THR H . 50210 1 527 . 1 . 1 115 115 THR C C 13 178.178 0.3 . 1 . . . . . 115 THR C . 50210 1 528 . 1 . 1 115 115 THR CA C 13 61.315 0.3 . 1 . . . . . 115 THR CA . 50210 1 529 . 1 . 1 115 115 THR CB C 13 70.449 0.3 . 1 . . . . . 115 THR CB . 50210 1 530 . 1 . 1 115 115 THR N N 15 114.9 0.3 . 1 . . . . . 115 THR N . 50210 1 531 . 1 . 1 116 116 SER H H 1 8.664 0.02 . 1 . . . . . 116 SER H . 50210 1 532 . 1 . 1 116 116 SER C C 13 177.517 0.3 . 1 . . . . . 116 SER C . 50210 1 533 . 1 . 1 116 116 SER CA C 13 56.967 0.3 . 1 . . . . . 116 SER CA . 50210 1 534 . 1 . 1 116 116 SER CB C 13 64.917 0.3 . 1 . . . . . 116 SER CB . 50210 1 535 . 1 . 1 116 116 SER N N 15 120.997 0.3 . 1 . . . . . 116 SER N . 50210 1 536 . 1 . 1 117 117 THR H H 1 8.502 0.02 . 1 . . . . . 117 THR H . 50210 1 537 . 1 . 1 117 117 THR C C 13 177.682 0.3 . 1 . . . . . 117 THR C . 50210 1 538 . 1 . 1 117 117 THR CA C 13 61.461 0.3 . 1 . . . . . 117 THR CA . 50210 1 539 . 1 . 1 117 117 THR CB C 13 70.188 0.3 . 1 . . . . . 117 THR CB . 50210 1 540 . 1 . 1 117 117 THR N N 15 115.908 0.3 . 1 . . . . . 117 THR N . 50210 1 541 . 1 . 1 119 119 ILE H H 1 8.073 0.02 . 1 . . . . . 119 ILE H . 50210 1 542 . 1 . 1 119 119 ILE C C 13 176.233 0.3 . 1 . . . . . 119 ILE C . 50210 1 543 . 1 . 1 119 119 ILE CA C 13 59.963 0.3 . 1 . . . . . 119 ILE CA . 50210 1 544 . 1 . 1 119 119 ILE CB C 13 39.152 0.3 . 1 . . . . . 119 ILE CB . 50210 1 545 . 1 . 1 119 119 ILE N N 15 122.627 0.3 . 1 . . . . . 119 ILE N . 50210 1 546 . 1 . 1 120 120 LEU H H 1 8.73 0.02 . 1 . . . . . 120 LEU H . 50210 1 547 . 1 . 1 120 120 LEU C C 13 175.078 0.3 . 1 . . . . . 120 LEU C . 50210 1 548 . 1 . 1 120 120 LEU CA C 13 55.058 0.3 . 1 . . . . . 120 LEU CA . 50210 1 549 . 1 . 1 120 120 LEU CB C 13 42.947 0.3 . 1 . . . . . 120 LEU CB . 50210 1 550 . 1 . 1 120 120 LEU N N 15 127.956 0.3 . 1 . . . . . 120 LEU N . 50210 1 551 . 1 . 1 121 121 SER H H 1 7.928 0.02 . 1 . . . . . 121 SER H . 50210 1 552 . 1 . 1 121 121 SER C C 13 179.012 0.3 . 1 . . . . . 121 SER C . 50210 1 553 . 1 . 1 121 121 SER CA C 13 56.802 0.3 . 1 . . . . . 121 SER CA . 50210 1 554 . 1 . 1 121 121 SER CB C 13 63.906 0.3 . 1 . . . . . 121 SER CB . 50210 1 555 . 1 . 1 121 121 SER N N 15 117.232 0.3 . 1 . . . . . 121 SER N . 50210 1 556 . 1 . 1 122 122 LYS H H 1 8.411 0.02 . 1 . . . . . 122 LYS H . 50210 1 557 . 1 . 1 122 122 LYS C C 13 176.82 0.3 . 1 . . . . . 122 LYS C . 50210 1 558 . 1 . 1 122 122 LYS CA C 13 55.386 0.3 . 1 . . . . . 122 LYS CA . 50210 1 559 . 1 . 1 122 122 LYS CB C 13 35.895 0.3 . 1 . . . . . 122 LYS CB . 50210 1 560 . 1 . 1 122 122 LYS N N 15 118.964 0.3 . 1 . . . . . 122 LYS N . 50210 1 561 . 1 . 1 123 123 LEU H H 1 9.271 0.02 . 1 . . . . . 123 LEU H . 50210 1 562 . 1 . 1 123 123 LEU C C 13 177.558 0.3 . 1 . . . . . 123 LEU C . 50210 1 563 . 1 . 1 123 123 LEU CA C 13 54.04 0.3 . 1 . . . . . 123 LEU CA . 50210 1 564 . 1 . 1 123 123 LEU CB C 13 43.904 0.3 . 1 . . . . . 123 LEU CB . 50210 1 565 . 1 . 1 123 123 LEU N N 15 124.791 0.3 . 1 . . . . . 123 LEU N . 50210 1 566 . 1 . 1 124 124 LYS H H 1 8.498 0.02 . 1 . . . . . 124 LYS H . 50210 1 567 . 1 . 1 124 124 LYS C C 13 176.637 0.3 . 1 . . . . . 124 LYS C . 50210 1 568 . 1 . 1 124 124 LYS CA C 13 55.719 0.3 . 1 . . . . . 124 LYS CA . 50210 1 569 . 1 . 1 124 124 LYS CB C 13 33.584 0.3 . 1 . . . . . 124 LYS CB . 50210 1 570 . 1 . 1 124 124 LYS N N 15 127.662 0.3 . 1 . . . . . 124 LYS N . 50210 1 571 . 1 . 1 125 125 ILE H H 1 8.736 0.02 . 1 . . . . . 125 ILE H . 50210 1 572 . 1 . 1 125 125 ILE C C 13 177.714 0.3 . 1 . . . . . 125 ILE C . 50210 1 573 . 1 . 1 125 125 ILE CA C 13 55.065 0.3 . 1 . . . . . 125 ILE CA . 50210 1 574 . 1 . 1 125 125 ILE CB C 13 41.351 0.3 . 1 . . . . . 125 ILE CB . 50210 1 575 . 1 . 1 125 125 ILE N N 15 123.813 0.3 . 1 . . . . . 125 ILE N . 50210 1 576 . 1 . 1 126 126 SER H H 1 7.89 0.02 . 1 . . . . . 126 SER H . 50210 1 577 . 1 . 1 126 126 SER C C 13 175.885 0.3 . 1 . . . . . 126 SER C . 50210 1 578 . 1 . 1 126 126 SER CA C 13 57.058 0.3 . 1 . . . . . 126 SER CA . 50210 1 579 . 1 . 1 126 126 SER CB C 13 64.491 0.3 . 1 . . . . . 126 SER CB . 50210 1 580 . 1 . 1 126 126 SER N N 15 117.98 0.3 . 1 . . . . . 126 SER N . 50210 1 581 . 1 . 1 127 127 ASN H H 1 8.426 0.02 . 1 . . . . . 127 ASN H . 50210 1 582 . 1 . 1 127 127 ASN C C 13 174.801 0.3 . 1 . . . . . 127 ASN C . 50210 1 583 . 1 . 1 127 127 ASN CA C 13 52.884 0.3 . 1 . . . . . 127 ASN CA . 50210 1 584 . 1 . 1 127 127 ASN CB C 13 37.579 0.3 . 1 . . . . . 127 ASN CB . 50210 1 585 . 1 . 1 127 127 ASN N N 15 118.297 0.3 . 1 . . . . . 127 ASN N . 50210 1 586 . 1 . 1 128 128 LYS H H 1 7.999 0.02 . 1 . . . . . 128 LYS H . 50210 1 587 . 1 . 1 128 128 LYS C C 13 175.261 0.3 . 1 . . . . . 128 LYS C . 50210 1 588 . 1 . 1 128 128 LYS CA C 13 57.125 0.3 . 1 . . . . . 128 LYS CA . 50210 1 589 . 1 . 1 128 128 LYS CB C 13 33.425 0.3 . 1 . . . . . 128 LYS CB . 50210 1 590 . 1 . 1 128 128 LYS N N 15 119.034 0.3 . 1 . . . . . 128 LYS N . 50210 1 591 . 1 . 1 129 129 GLN H H 1 7.519 0.02 . 1 . . . . . 129 GLN H . 50210 1 592 . 1 . 1 129 129 GLN C C 13 177.086 0.3 . 1 . . . . . 129 GLN C . 50210 1 593 . 1 . 1 129 129 GLN CA C 13 54.445 0.3 . 1 . . . . . 129 GLN CA . 50210 1 594 . 1 . 1 129 129 GLN CB C 13 30.818 0.3 . 1 . . . . . 129 GLN CB . 50210 1 595 . 1 . 1 129 129 GLN N N 15 115.843 0.3 . 1 . . . . . 129 GLN N . 50210 1 596 . 1 . 1 130 130 LEU H H 1 8.103 0.02 . 1 . . . . . 130 LEU H . 50210 1 597 . 1 . 1 130 130 LEU C C 13 175.646 0.3 . 1 . . . . . 130 LEU C . 50210 1 598 . 1 . 1 130 130 LEU CA C 13 55.141 0.3 . 1 . . . . . 130 LEU CA . 50210 1 599 . 1 . 1 130 130 LEU CB C 13 42.519 0.3 . 1 . . . . . 130 LEU CB . 50210 1 600 . 1 . 1 130 130 LEU N N 15 121.026 0.3 . 1 . . . . . 130 LEU N . 50210 1 601 . 1 . 1 131 131 ILE H H 1 8.743 0.02 . 1 . . . . . 131 ILE H . 50210 1 602 . 1 . 1 131 131 ILE C C 13 180.14 0.3 . 1 . . . . . 131 ILE C . 50210 1 603 . 1 . 1 131 131 ILE CA C 13 59.495 0.3 . 1 . . . . . 131 ILE CA . 50210 1 604 . 1 . 1 131 131 ILE CB C 13 40.35 0.3 . 1 . . . . . 131 ILE CB . 50210 1 605 . 1 . 1 131 131 ILE N N 15 117.875 0.3 . 1 . . . . . 131 ILE N . 50210 1 606 . 1 . 1 132 132 SER H H 1 6.795 0.02 . 1 . . . . . 132 SER H . 50210 1 607 . 1 . 1 132 132 SER C C 13 176.234 0.3 . 1 . . . . . 132 SER C . 50210 1 608 . 1 . 1 132 132 SER CA C 13 54.944 0.3 . 1 . . . . . 132 SER CA . 50210 1 609 . 1 . 1 132 132 SER CB C 13 67.514 0.3 . 1 . . . . . 132 SER CB . 50210 1 610 . 1 . 1 132 132 SER N N 15 111.726 0.3 . 1 . . . . . 132 SER N . 50210 1 611 . 1 . 1 133 133 TYR H H 1 9.351 0.02 . 1 . . . . . 133 TYR H . 50210 1 612 . 1 . 1 133 133 TYR C C 13 173.152 0.3 . 1 . . . . . 133 TYR C . 50210 1 613 . 1 . 1 133 133 TYR CA C 13 63.521 0.3 . 1 . . . . . 133 TYR CA . 50210 1 614 . 1 . 1 133 133 TYR CB C 13 37.639 0.3 . 1 . . . . . 133 TYR CB . 50210 1 615 . 1 . 1 133 133 TYR N N 15 119.226 0.3 . 1 . . . . . 133 TYR N . 50210 1 616 . 1 . 1 134 134 LYS H H 1 8.302 0.02 . 1 . . . . . 134 LYS H . 50210 1 617 . 1 . 1 134 134 LYS C C 13 173.152 0.3 . 1 . . . . . 134 LYS C . 50210 1 618 . 1 . 1 134 134 LYS CA C 13 54.365 0.3 . 1 . . . . . 134 LYS CA . 50210 1 619 . 1 . 1 134 134 LYS CB C 13 30.925 0.3 . 1 . . . . . 134 LYS CB . 50210 1 620 . 1 . 1 134 134 LYS N N 15 119.87 0.3 . 1 . . . . . 134 LYS N . 50210 1 621 . 1 . 1 135 135 TYR H H 1 7.969 0.02 . 1 . . . . . 135 TYR H . 50210 1 622 . 1 . 1 135 135 TYR C C 13 173.937 0.3 . 1 . . . . . 135 TYR C . 50210 1 623 . 1 . 1 135 135 TYR CA C 13 57.647 0.3 . 1 . . . . . 135 TYR CA . 50210 1 624 . 1 . 1 135 135 TYR CB C 13 38.682 0.3 . 1 . . . . . 135 TYR CB . 50210 1 625 . 1 . 1 135 135 TYR N N 15 120.206 0.3 . 1 . . . . . 135 TYR N . 50210 1 626 . 1 . 1 136 136 LEU H H 1 8.013 0.02 . 1 . . . . . 136 LEU H . 50210 1 627 . 1 . 1 136 136 LEU C C 13 174.078 0.3 . 1 . . . . . 136 LEU C . 50210 1 628 . 1 . 1 136 136 LEU CA C 13 57.572 0.3 . 1 . . . . . 136 LEU CA . 50210 1 629 . 1 . 1 136 136 LEU CB C 13 41.666 0.3 . 1 . . . . . 136 LEU CB . 50210 1 630 . 1 . 1 136 136 LEU N N 15 119.857 0.3 . 1 . . . . . 136 LEU N . 50210 1 631 . 1 . 1 137 137 ASN H H 1 9.201 0.02 . 1 . . . . . 137 ASN H . 50210 1 632 . 1 . 1 137 137 ASN C C 13 174.427 0.3 . 1 . . . . . 137 ASN C . 50210 1 633 . 1 . 1 137 137 ASN CA C 13 56.463 0.3 . 1 . . . . . 137 ASN CA . 50210 1 634 . 1 . 1 137 137 ASN CB C 13 37.745 0.3 . 1 . . . . . 137 ASN CB . 50210 1 635 . 1 . 1 137 137 ASN N N 15 120.146 0.3 . 1 . . . . . 137 ASN N . 50210 1 636 . 1 . 1 138 138 ASP H H 1 7.279 0.02 . 1 . . . . . 138 ASP H . 50210 1 637 . 1 . 1 138 138 ASP C C 13 172.703 0.3 . 1 . . . . . 138 ASP C . 50210 1 638 . 1 . 1 138 138 ASP CA C 13 48.728 0.3 . 1 . . . . . 138 ASP CA . 50210 1 639 . 1 . 1 138 138 ASP CB C 13 39.862 0.3 . 1 . . . . . 138 ASP CB . 50210 1 640 . 1 . 1 138 138 ASP N N 15 118.359 0.3 . 1 . . . . . 138 ASP N . 50210 1 641 . 1 . 1 139 139 LYS H H 1 7.513 0.02 . 1 . . . . . 139 LYS H . 50210 1 642 . 1 . 1 139 139 LYS C C 13 172.96 0.3 . 1 . . . . . 139 LYS C . 50210 1 643 . 1 . 1 139 139 LYS CA C 13 57.297 0.3 . 1 . . . . . 139 LYS CA . 50210 1 644 . 1 . 1 139 139 LYS CB C 13 31.092 0.3 . 1 . . . . . 139 LYS CB . 50210 1 645 . 1 . 1 139 139 LYS N N 15 120.601 0.3 . 1 . . . . . 139 LYS N . 50210 1 646 . 1 . 1 140 140 VAL H H 1 8.694 0.02 . 1 . . . . . 140 VAL H . 50210 1 647 . 1 . 1 140 140 VAL C C 13 174.308 0.3 . 1 . . . . . 140 VAL C . 50210 1 648 . 1 . 1 140 140 VAL CA C 13 66.595 0.3 . 1 . . . . . 140 VAL CA . 50210 1 649 . 1 . 1 140 140 VAL CB C 13 31.991 0.3 . 1 . . . . . 140 VAL CB . 50210 1 650 . 1 . 1 140 140 VAL N N 15 121.225 0.3 . 1 . . . . . 140 VAL N . 50210 1 651 . 1 . 1 141 141 LYS H H 1 8.41 0.02 . 1 . . . . . 141 LYS H . 50210 1 652 . 1 . 1 141 141 LYS C C 13 172.467 0.3 . 1 . . . . . 141 LYS C . 50210 1 653 . 1 . 1 141 141 LYS CA C 13 61.176 0.3 . 1 . . . . . 141 LYS CA . 50210 1 654 . 1 . 1 141 141 LYS CB C 13 31.829 0.3 . 1 . . . . . 141 LYS CB . 50210 1 655 . 1 . 1 141 141 LYS N N 15 118.375 0.3 . 1 . . . . . 141 LYS N . 50210 1 656 . 1 . 1 142 142 SER H H 1 7.79 0.02 . 1 . . . . . 142 SER H . 50210 1 657 . 1 . 1 142 142 SER C C 13 174.876 0.3 . 1 . . . . . 142 SER C . 50210 1 658 . 1 . 1 142 142 SER CA C 13 61.966 0.3 . 1 . . . . . 142 SER CA . 50210 1 659 . 1 . 1 142 142 SER CB C 13 62.283 0.3 . 1 . . . . . 142 SER CB . 50210 1 660 . 1 . 1 142 142 SER N N 15 115.126 0.3 . 1 . . . . . 142 SER N . 50210 1 661 . 1 . 1 143 143 VAL H H 1 8.029 0.02 . 1 . . . . . 143 VAL H . 50210 1 662 . 1 . 1 143 143 VAL C C 13 173.831 0.3 . 1 . . . . . 143 VAL C . 50210 1 663 . 1 . 1 143 143 VAL CA C 13 65.818 0.3 . 1 . . . . . 143 VAL CA . 50210 1 664 . 1 . 1 143 143 VAL CB C 13 31.031 0.3 . 1 . . . . . 143 VAL CB . 50210 1 665 . 1 . 1 143 143 VAL N N 15 121.642 0.3 . 1 . . . . . 143 VAL N . 50210 1 666 . 1 . 1 144 144 LEU H H 1 8.055 0.02 . 1 . . . . . 144 LEU H . 50210 1 667 . 1 . 1 144 144 LEU C C 13 172.785 0.3 . 1 . . . . . 144 LEU C . 50210 1 668 . 1 . 1 144 144 LEU CA C 13 58.251 0.3 . 1 . . . . . 144 LEU CA . 50210 1 669 . 1 . 1 144 144 LEU CB C 13 41.831 0.3 . 1 . . . . . 144 LEU CB . 50210 1 670 . 1 . 1 144 144 LEU N N 15 120.517 0.3 . 1 . . . . . 144 LEU N . 50210 1 671 . 1 . 1 145 145 LYS H H 1 7.635 0.02 . 1 . . . . . 145 LYS H . 50210 1 672 . 1 . 1 145 145 LYS C C 13 173.051 0.3 . 1 . . . . . 145 LYS C . 50210 1 673 . 1 . 1 145 145 LYS CA C 13 59.528 0.3 . 1 . . . . . 145 LYS CA . 50210 1 674 . 1 . 1 145 145 LYS CB C 13 32.418 0.3 . 1 . . . . . 145 LYS CB . 50210 1 675 . 1 . 1 145 145 LYS N N 15 120.985 0.3 . 1 . . . . . 145 LYS N . 50210 1 676 . 1 . 1 146 146 SER H H 1 8.548 0.02 . 1 . . . . . 146 SER H . 50210 1 677 . 1 . 1 146 146 SER C C 13 175.408 0.3 . 1 . . . . . 146 SER C . 50210 1 678 . 1 . 1 146 146 SER CA C 13 61.645 0.3 . 1 . . . . . 146 SER CA . 50210 1 679 . 1 . 1 146 146 SER CB C 13 62.605 0.3 . 1 . . . . . 146 SER CB . 50210 1 680 . 1 . 1 146 146 SER N N 15 115.593 0.3 . 1 . . . . . 146 SER N . 50210 1 681 . 1 . 1 147 147 GLU H H 1 8.839 0.02 . 1 . . . . . 147 GLU H . 50210 1 682 . 1 . 1 147 147 GLU C C 13 173.4 0.3 . 1 . . . . . 147 GLU C . 50210 1 683 . 1 . 1 147 147 GLU CA C 13 57.262 0.3 . 1 . . . . . 147 GLU CA . 50210 1 684 . 1 . 1 147 147 GLU CB C 13 30.152 0.3 . 1 . . . . . 147 GLU CB . 50210 1 685 . 1 . 1 147 147 GLU N N 15 117.32 0.3 . 1 . . . . . 147 GLU N . 50210 1 686 . 1 . 1 148 148 ARG H H 1 6.923 0.02 . 1 . . . . . 148 ARG H . 50210 1 687 . 1 . 1 148 148 ARG C C 13 176.004 0.3 . 1 . . . . . 148 ARG C . 50210 1 688 . 1 . 1 148 148 ARG CA C 13 52.849 0.3 . 1 . . . . . 148 ARG CA . 50210 1 689 . 1 . 1 148 148 ARG CB C 13 32.223 0.3 . 1 . . . . . 148 ARG CB . 50210 1 690 . 1 . 1 148 148 ARG N N 15 112.817 0.3 . 1 . . . . . 148 ARG N . 50210 1 691 . 1 . 1 149 149 GLY H H 1 7.59 0.02 . 1 . . . . . 149 GLY H . 50210 1 692 . 1 . 1 149 149 GLY C C 13 178.192 0.3 . 1 . . . . . 149 GLY C . 50210 1 693 . 1 . 1 149 149 GLY CA C 13 46.763 0.3 . 1 . . . . . 149 GLY CA . 50210 1 694 . 1 . 1 149 149 GLY N N 15 110.272 0.3 . 1 . . . . . 149 GLY N . 50210 1 695 . 1 . 1 150 150 ILE H H 1 7.314 0.02 . 1 . . . . . 150 ILE H . 50210 1 696 . 1 . 1 150 150 ILE C C 13 177.481 0.3 . 1 . . . . . 150 ILE C . 50210 1 697 . 1 . 1 150 150 ILE CA C 13 60.149 0.3 . 1 . . . . . 150 ILE CA . 50210 1 698 . 1 . 1 150 150 ILE CB C 13 38.17 0.3 . 1 . . . . . 150 ILE CB . 50210 1 699 . 1 . 1 150 150 ILE N N 15 122.45 0.3 . 1 . . . . . 150 ILE N . 50210 1 700 . 1 . 1 151 151 SER H H 1 9.485 0.02 . 1 . . . . . 151 SER H . 50210 1 701 . 1 . 1 151 151 SER C C 13 177.622 0.3 . 1 . . . . . 151 SER C . 50210 1 702 . 1 . 1 151 151 SER CA C 13 56.544 0.3 . 1 . . . . . 151 SER CA . 50210 1 703 . 1 . 1 151 151 SER CB C 13 66.672 0.3 . 1 . . . . . 151 SER CB . 50210 1 704 . 1 . 1 151 151 SER N N 15 125.105 0.3 . 1 . . . . . 151 SER N . 50210 1 705 . 1 . 1 152 152 ASP H H 1 8.562 0.02 . 1 . . . . . 152 ASP H . 50210 1 706 . 1 . 1 152 152 ASP C C 13 173.125 0.3 . 1 . . . . . 152 ASP C . 50210 1 707 . 1 . 1 152 152 ASP CA C 13 57.731 0.3 . 1 . . . . . 152 ASP CA . 50210 1 708 . 1 . 1 152 152 ASP CB C 13 40.559 0.3 . 1 . . . . . 152 ASP CB . 50210 1 709 . 1 . 1 152 152 ASP N N 15 119.172 0.3 . 1 . . . . . 152 ASP N . 50210 1 710 . 1 . 1 153 153 LEU H H 1 7.97 0.02 . 1 . . . . . 153 LEU H . 50210 1 711 . 1 . 1 153 153 LEU C C 13 173.666 0.3 . 1 . . . . . 153 LEU C . 50210 1 712 . 1 . 1 153 153 LEU CB C 13 41.564 0.3 . 1 . . . . . 153 LEU CB . 50210 1 713 . 1 . 1 153 153 LEU N N 15 120.773 0.3 . 1 . . . . . 153 LEU N . 50210 1 714 . 1 . 1 154 154 ASP H H 1 7.348 0.02 . 1 . . . . . 154 ASP H . 50210 1 715 . 1 . 1 154 154 ASP C C 13 172.263 0.3 . 1 . . . . . 154 ASP C . 50210 1 716 . 1 . 1 154 154 ASP CA C 13 57.208 0.3 . 1 . . . . . 154 ASP CA . 50210 1 717 . 1 . 1 154 154 ASP CB C 13 41.143 0.3 . 1 . . . . . 154 ASP CB . 50210 1 718 . 1 . 1 154 154 ASP N N 15 118.295 0.3 . 1 . . . . . 154 ASP N . 50210 1 719 . 1 . 1 155 155 LEU H H 1 7.787 0.02 . 1 . . . . . 155 LEU H . 50210 1 720 . 1 . 1 155 155 LEU C C 13 173.987 0.3 . 1 . . . . . 155 LEU C . 50210 1 721 . 1 . 1 155 155 LEU CA C 13 57.397 0.3 . 1 . . . . . 155 LEU CA . 50210 1 722 . 1 . 1 155 155 LEU CB C 13 41.351 0.3 . 1 . . . . . 155 LEU CB . 50210 1 723 . 1 . 1 155 155 LEU N N 15 118.502 0.3 . 1 . . . . . 155 LEU N . 50210 1 724 . 1 . 1 156 156 LYS H H 1 7.5 0.02 . 1 . . . . . 156 LYS H . 50210 1 725 . 1 . 1 156 156 LYS C C 13 173.937 0.3 . 1 . . . . . 156 LYS C . 50210 1 726 . 1 . 1 156 156 LYS CA C 13 58.966 0.3 . 1 . . . . . 156 LYS CA . 50210 1 727 . 1 . 1 156 156 LYS CB C 13 31.958 0.3 . 1 . . . . . 156 LYS CB . 50210 1 728 . 1 . 1 156 156 LYS N N 15 118.109 0.3 . 1 . . . . . 156 LYS N . 50210 1 729 . 1 . 1 157 157 PHE H H 1 7.327 0.02 . 1 . . . . . 157 PHE H . 50210 1 730 . 1 . 1 157 157 PHE C C 13 176.234 0.3 . 1 . . . . . 157 PHE C . 50210 1 731 . 1 . 1 157 157 PHE CA C 13 57.84 0.3 . 1 . . . . . 157 PHE CA . 50210 1 732 . 1 . 1 157 157 PHE CB C 13 39.338 0.3 . 1 . . . . . 157 PHE CB . 50210 1 733 . 1 . 1 157 157 PHE N N 15 114.889 0.3 . 1 . . . . . 157 PHE N . 50210 1 734 . 1 . 1 158 158 ALA H H 1 7.285 0.02 . 1 . . . . . 158 ALA H . 50210 1 735 . 1 . 1 158 158 ALA C C 13 174.482 0.3 . 1 . . . . . 158 ALA C . 50210 1 736 . 1 . 1 158 158 ALA CA C 13 52.452 0.3 . 1 . . . . . 158 ALA CA . 50210 1 737 . 1 . 1 158 158 ALA CB C 13 17.892 0.3 . 1 . . . . . 158 ALA CB . 50210 1 738 . 1 . 1 158 158 ALA N N 15 123.762 0.3 . 1 . . . . . 158 ALA N . 50210 1 739 . 1 . 1 159 159 LYS H H 1 9.184 0.02 . 1 . . . . . 159 LYS H . 50210 1 740 . 1 . 1 159 159 LYS C C 13 173.721 0.3 . 1 . . . . . 159 LYS C . 50210 1 741 . 1 . 1 159 159 LYS CA C 13 58.718 0.3 . 1 . . . . . 159 LYS CA . 50210 1 742 . 1 . 1 159 159 LYS CB C 13 32.372 0.3 . 1 . . . . . 159 LYS CB . 50210 1 743 . 1 . 1 159 159 LYS N N 15 124.854 0.3 . 1 . . . . . 159 LYS N . 50210 1 744 . 1 . 1 160 160 GLN H H 1 8.479 0.02 . 1 . . . . . 160 GLN H . 50210 1 745 . 1 . 1 160 160 GLN C C 13 179.067 0.3 . 1 . . . . . 160 GLN C . 50210 1 746 . 1 . 1 160 160 GLN CA C 13 55.027 0.3 . 1 . . . . . 160 GLN CA . 50210 1 747 . 1 . 1 160 160 GLN CB C 13 32.979 0.3 . 1 . . . . . 160 GLN CB . 50210 1 748 . 1 . 1 160 160 GLN N N 15 116.698 0.3 . 1 . . . . . 160 GLN N . 50210 1 749 . 1 . 1 161 161 ALA H H 1 9.254 0.02 . 1 . . . . . 161 ALA H . 50210 1 750 . 1 . 1 161 161 ALA C C 13 178.664 0.3 . 1 . . . . . 161 ALA C . 50210 1 751 . 1 . 1 161 161 ALA CA C 13 51.618 0.3 . 1 . . . . . 161 ALA CA . 50210 1 752 . 1 . 1 161 161 ALA CB C 13 21.241 0.3 . 1 . . . . . 161 ALA CB . 50210 1 753 . 1 . 1 161 161 ALA N N 15 127.237 0.3 . 1 . . . . . 161 ALA N . 50210 1 754 . 1 . 1 162 162 LYS H H 1 8.898 0.02 . 1 . . . . . 162 LYS H . 50210 1 755 . 1 . 1 162 162 LYS C C 13 178.159 0.3 . 1 . . . . . 162 LYS C . 50210 1 756 . 1 . 1 162 162 LYS CA C 13 54.187 0.3 . 1 . . . . . 162 LYS CA . 50210 1 757 . 1 . 1 162 162 LYS CB C 13 37.296 0.3 . 1 . . . . . 162 LYS CB . 50210 1 758 . 1 . 1 162 162 LYS N N 15 122.125 0.3 . 1 . . . . . 162 LYS N . 50210 1 759 . 1 . 1 163 163 TYR H H 1 8.845 0.02 . 1 . . . . . 163 TYR H . 50210 1 760 . 1 . 1 163 163 TYR C C 13 179.983 0.3 . 1 . . . . . 163 TYR C . 50210 1 761 . 1 . 1 163 163 TYR CA C 13 55.937 0.3 . 1 . . . . . 163 TYR CA . 50210 1 762 . 1 . 1 163 163 TYR CB C 13 42.287 0.3 . 1 . . . . . 163 TYR CB . 50210 1 763 . 1 . 1 163 163 TYR N N 15 113.812 0.3 . 1 . . . . . 163 TYR N . 50210 1 764 . 1 . 1 164 164 THR H H 1 9.137 0.02 . 1 . . . . . 164 THR H . 50210 1 765 . 1 . 1 164 164 THR C C 13 178.618 0.3 . 1 . . . . . 164 THR C . 50210 1 766 . 1 . 1 164 164 THR CA C 13 61.218 0.3 . 1 . . . . . 164 THR CA . 50210 1 767 . 1 . 1 164 164 THR CB C 13 70.188 0.3 . 1 . . . . . 164 THR CB . 50210 1 768 . 1 . 1 164 164 THR N N 15 116.883 0.3 . 1 . . . . . 164 THR N . 50210 1 769 . 1 . 1 165 165 VAL H H 1 9.057 0.02 . 1 . . . . . 165 VAL H . 50210 1 770 . 1 . 1 165 165 VAL C C 13 178.421 0.3 . 1 . . . . . 165 VAL C . 50210 1 771 . 1 . 1 165 165 VAL CA C 13 61.087 0.3 . 1 . . . . . 165 VAL CA . 50210 1 772 . 1 . 1 165 165 VAL CB C 13 32.893 0.3 . 1 . . . . . 165 VAL CB . 50210 1 773 . 1 . 1 165 165 VAL N N 15 126.724 0.3 . 1 . . . . . 165 VAL N . 50210 1 774 . 1 . 1 166 166 TYR H H 1 8.405 0.02 . 1 . . . . . 166 TYR H . 50210 1 775 . 1 . 1 166 166 TYR C C 13 176.408 0.3 . 1 . . . . . 166 TYR C . 50210 1 776 . 1 . 1 166 166 TYR CA C 13 56.93 0.3 . 1 . . . . . 166 TYR CA . 50210 1 777 . 1 . 1 166 166 TYR CB C 13 38.458 0.3 . 1 . . . . . 166 TYR CB . 50210 1 778 . 1 . 1 166 166 TYR N N 15 124.68 0.3 . 1 . . . . . 166 TYR N . 50210 1 779 . 1 . 1 167 167 PHE H H 1 9.018 0.02 . 1 . . . . . 167 PHE H . 50210 1 780 . 1 . 1 167 167 PHE C C 13 173.767 0.3 . 1 . . . . . 167 PHE C . 50210 1 781 . 1 . 1 167 167 PHE CA C 13 57.754 0.3 . 1 . . . . . 167 PHE CA . 50210 1 782 . 1 . 1 167 167 PHE CB C 13 40.38 0.3 . 1 . . . . . 167 PHE CB . 50210 1 783 . 1 . 1 167 167 PHE N N 15 122.358 0.3 . 1 . . . . . 167 PHE N . 50210 1 784 . 1 . 1 168 168 LYS H H 1 9.181 0.02 . 1 . . . . . 168 LYS H . 50210 1 785 . 1 . 1 168 168 LYS C C 13 175.417 0.3 . 1 . . . . . 168 LYS C . 50210 1 786 . 1 . 1 168 168 LYS CA C 13 59.874 0.3 . 1 . . . . . 168 LYS CA . 50210 1 787 . 1 . 1 168 168 LYS CB C 13 32.68 0.3 . 1 . . . . . 168 LYS CB . 50210 1 788 . 1 . 1 168 168 LYS N N 15 123.262 0.3 . 1 . . . . . 168 LYS N . 50210 1 789 . 1 . 1 169 169 ASN H H 1 8.271 0.02 . 1 . . . . . 169 ASN H . 50210 1 790 . 1 . 1 169 169 ASN C C 13 175.885 0.3 . 1 . . . . . 169 ASN C . 50210 1 791 . 1 . 1 169 169 ASN CA C 13 52.731 0.3 . 1 . . . . . 169 ASN CA . 50210 1 792 . 1 . 1 169 169 ASN CB C 13 37.177 0.3 . 1 . . . . . 169 ASN CB . 50210 1 793 . 1 . 1 169 169 ASN N N 15 115.893 0.3 . 1 . . . . . 169 ASN N . 50210 1 794 . 1 . 1 170 170 GLY H H 1 7.917 0.02 . 1 . . . . . 170 GLY H . 50210 1 795 . 1 . 1 170 170 GLY C C 13 177.098 0.3 . 1 . . . . . 170 GLY C . 50210 1 796 . 1 . 1 170 170 GLY CA C 13 45.211 0.3 . 1 . . . . . 170 GLY CA . 50210 1 797 . 1 . 1 170 170 GLY N N 15 107.373 0.3 . 1 . . . . . 170 GLY N . 50210 1 798 . 1 . 1 171 171 LYS H H 1 7.803 0.02 . 1 . . . . . 171 LYS H . 50210 1 799 . 1 . 1 171 171 LYS C C 13 177.095 0.3 . 1 . . . . . 171 LYS C . 50210 1 800 . 1 . 1 171 171 LYS CA C 13 56.324 0.3 . 1 . . . . . 171 LYS CA . 50210 1 801 . 1 . 1 171 171 LYS CB C 13 33.053 0.3 . 1 . . . . . 171 LYS CB . 50210 1 802 . 1 . 1 171 171 LYS N N 15 121.251 0.3 . 1 . . . . . 171 LYS N . 50210 1 803 . 1 . 1 172 172 LYS H H 1 8.45 0.02 . 1 . . . . . 172 LYS H . 50210 1 804 . 1 . 1 172 172 LYS C C 13 177.04 0.3 . 1 . . . . . 172 LYS C . 50210 1 805 . 1 . 1 172 172 LYS CA C 13 54.367 0.3 . 1 . . . . . 172 LYS CA . 50210 1 806 . 1 . 1 172 172 LYS CB C 13 35.925 0.3 . 1 . . . . . 172 LYS CB . 50210 1 807 . 1 . 1 172 172 LYS N N 15 119.315 0.3 . 1 . . . . . 172 LYS N . 50210 1 808 . 1 . 1 173 173 GLN H H 1 8.609 0.02 . 1 . . . . . 173 GLN H . 50210 1 809 . 1 . 1 173 173 GLN C C 13 178.651 0.3 . 1 . . . . . 173 GLN C . 50210 1 810 . 1 . 1 173 173 GLN CA C 13 54.348 0.3 . 1 . . . . . 173 GLN CA . 50210 1 811 . 1 . 1 173 173 GLN CB C 13 32.999 0.3 . 1 . . . . . 173 GLN CB . 50210 1 812 . 1 . 1 173 173 GLN N N 15 121.454 0.3 . 1 . . . . . 173 GLN N . 50210 1 813 . 1 . 1 174 174 VAL H H 1 8.59 0.02 . 1 . . . . . 174 VAL H . 50210 1 814 . 1 . 1 174 174 VAL C C 13 176.49 0.3 . 1 . . . . . 174 VAL C . 50210 1 815 . 1 . 1 174 174 VAL CA C 13 62.058 0.3 . 1 . . . . . 174 VAL CA . 50210 1 816 . 1 . 1 174 174 VAL CB C 13 32.115 0.3 . 1 . . . . . 174 VAL CB . 50210 1 817 . 1 . 1 174 174 VAL N N 15 128.433 0.3 . 1 . . . . . 174 VAL N . 50210 1 818 . 1 . 1 175 175 VAL H H 1 9.257 0.02 . 1 . . . . . 175 VAL H . 50210 1 819 . 1 . 1 175 175 VAL C C 13 178.178 0.3 . 1 . . . . . 175 VAL C . 50210 1 820 . 1 . 1 175 175 VAL CA C 13 61.599 0.3 . 1 . . . . . 175 VAL CA . 50210 1 821 . 1 . 1 175 175 VAL CB C 13 33.173 0.3 . 1 . . . . . 175 VAL CB . 50210 1 822 . 1 . 1 175 175 VAL N N 15 131.41 0.3 . 1 . . . . . 175 VAL N . 50210 1 823 . 1 . 1 176 176 ASN H H 1 8.595 0.02 . 1 . . . . . 176 ASN H . 50210 1 824 . 1 . 1 176 176 ASN C C 13 174.748 0.3 . 1 . . . . . 176 ASN C . 50210 1 825 . 1 . 1 176 176 ASN CA C 13 51.838 0.3 . 1 . . . . . 176 ASN CA . 50210 1 826 . 1 . 1 176 176 ASN CB C 13 38.425 0.3 . 1 . . . . . 176 ASN CB . 50210 1 827 . 1 . 1 176 176 ASN N N 15 123.863 0.3 . 1 . . . . . 176 ASN N . 50210 1 828 . 1 . 1 177 177 LEU H H 1 9.019 0.02 . 1 . . . . . 177 LEU H . 50210 1 829 . 1 . 1 177 177 LEU C C 13 174.801 0.3 . 1 . . . . . 177 LEU C . 50210 1 830 . 1 . 1 177 177 LEU CA C 13 56.902 0.3 . 1 . . . . . 177 LEU CA . 50210 1 831 . 1 . 1 177 177 LEU CB C 13 43.053 0.3 . 1 . . . . . 177 LEU CB . 50210 1 832 . 1 . 1 177 177 LEU N N 15 127.421 0.3 . 1 . . . . . 177 LEU N . 50210 1 833 . 1 . 1 178 178 LYS H H 1 8.226 0.02 . 1 . . . . . 178 LYS H . 50210 1 834 . 1 . 1 178 178 LYS C C 13 175.913 0.3 . 1 . . . . . 178 LYS C . 50210 1 835 . 1 . 1 178 178 LYS CA C 13 56.655 0.3 . 1 . . . . . 178 LYS CA . 50210 1 836 . 1 . 1 178 178 LYS CB C 13 31.464 0.3 . 1 . . . . . 178 LYS CB . 50210 1 837 . 1 . 1 178 178 LYS N N 15 115.945 0.3 . 1 . . . . . 178 LYS N . 50210 1 838 . 1 . 1 179 179 SER H H 1 7.012 0.02 . 1 . . . . . 179 SER H . 50210 1 839 . 1 . 1 179 179 SER C C 13 178.283 0.3 . 1 . . . . . 179 SER C . 50210 1 840 . 1 . 1 179 179 SER CA C 13 56.987 0.3 . 1 . . . . . 179 SER CA . 50210 1 841 . 1 . 1 179 179 SER CB C 13 64.156 0.3 . 1 . . . . . 179 SER CB . 50210 1 842 . 1 . 1 179 179 SER N N 15 112.274 0.3 . 1 . . . . . 179 SER N . 50210 1 843 . 1 . 1 180 180 ASP H H 1 8.397 0.02 . 1 . . . . . 180 ASP H . 50210 1 844 . 1 . 1 180 180 ASP C C 13 177.3 0.3 . 1 . . . . . 180 ASP C . 50210 1 845 . 1 . 1 180 180 ASP CA C 13 53.737 0.3 . 1 . . . . . 180 ASP CA . 50210 1 846 . 1 . 1 180 180 ASP CB C 13 41.021 0.3 . 1 . . . . . 180 ASP CB . 50210 1 847 . 1 . 1 180 180 ASP N N 15 124.337 0.3 . 1 . . . . . 180 ASP N . 50210 1 848 . 1 . 1 181 181 ILE H H 1 7.608 0.02 . 1 . . . . . 181 ILE H . 50210 1 849 . 1 . 1 181 181 ILE C C 13 177.077 0.3 . 1 . . . . . 181 ILE C . 50210 1 850 . 1 . 1 181 181 ILE CA C 13 60.219 0.3 . 1 . . . . . 181 ILE CA . 50210 1 851 . 1 . 1 181 181 ILE CB C 13 38.735 0.3 . 1 . . . . . 181 ILE CB . 50210 1 852 . 1 . 1 181 181 ILE N N 15 120.218 0.3 . 1 . . . . . 181 ILE N . 50210 1 853 . 1 . 1 182 182 PHE H H 1 8.293 0.02 . 1 . . . . . 182 PHE H . 50210 1 854 . 1 . 1 182 182 PHE C C 13 176.334 0.3 . 1 . . . . . 182 PHE C . 50210 1 855 . 1 . 1 182 182 PHE CA C 13 56.406 0.3 . 1 . . . . . 182 PHE CA . 50210 1 856 . 1 . 1 182 182 PHE CB C 13 41.085 0.3 . 1 . . . . . 182 PHE CB . 50210 1 857 . 1 . 1 182 182 PHE N N 15 125.006 0.3 . 1 . . . . . 182 PHE N . 50210 1 858 . 1 . 1 183 183 THR H H 1 8.488 0.02 . 1 . . . . . 183 THR H . 50210 1 859 . 1 . 1 183 183 THR C C 13 177.93 0.3 . 1 . . . . . 183 THR C . 50210 1 860 . 1 . 1 183 183 THR CA C 13 59.881 0.3 . 1 . . . . . 183 THR CA . 50210 1 861 . 1 . 1 183 183 THR CB C 13 69.113 0.3 . 1 . . . . . 183 THR CB . 50210 1 862 . 1 . 1 183 183 THR N N 15 118.876 0.3 . 1 . . . . . 183 THR N . 50210 1 863 . 1 . 1 185 185 ASN H H 1 7.892 0.02 . 1 . . . . . 185 ASN H . 50210 1 864 . 1 . 1 185 185 ASN C C 13 178.288 0.3 . 1 . . . . . 185 ASN C . 50210 1 865 . 1 . 1 185 185 ASN CA C 13 54.583 0.3 . 1 . . . . . 185 ASN CA . 50210 1 866 . 1 . 1 185 185 ASN CB C 13 39.115 0.3 . 1 . . . . . 185 ASN CB . 50210 1 867 . 1 . 1 185 185 ASN N N 15 118.287 0.3 . 1 . . . . . 185 ASN N . 50210 1 868 . 1 . 1 186 186 LEU H H 1 8.251 0.02 . 1 . . . . . 186 LEU H . 50210 1 869 . 1 . 1 186 186 LEU C C 13 175.023 0.3 . 1 . . . . . 186 LEU C . 50210 1 870 . 1 . 1 186 186 LEU CA C 13 53.533 0.3 . 1 . . . . . 186 LEU CA . 50210 1 871 . 1 . 1 186 186 LEU CB C 13 44.757 0.3 . 1 . . . . . 186 LEU CB . 50210 1 872 . 1 . 1 186 186 LEU N N 15 121.919 0.3 . 1 . . . . . 186 LEU N . 50210 1 873 . 1 . 1 187 187 PHE H H 1 8.281 0.02 . 1 . . . . . 187 PHE H . 50210 1 874 . 1 . 1 187 187 PHE C C 13 179.388 0.3 . 1 . . . . . 187 PHE C . 50210 1 875 . 1 . 1 187 187 PHE CA C 13 55.278 0.3 . 1 . . . . . 187 PHE CA . 50210 1 876 . 1 . 1 187 187 PHE CB C 13 40.234 0.3 . 1 . . . . . 187 PHE CB . 50210 1 877 . 1 . 1 187 187 PHE N N 15 118.173 0.3 . 1 . . . . . 187 PHE N . 50210 1 878 . 1 . 1 188 188 SER H H 1 8.857 0.02 . 1 . . . . . 188 SER H . 50210 1 879 . 1 . 1 188 188 SER C C 13 175.793 0.3 . 1 . . . . . 188 SER C . 50210 1 880 . 1 . 1 188 188 SER CA C 13 56.983 0.3 . 1 . . . . . 188 SER CA . 50210 1 881 . 1 . 1 188 188 SER CB C 13 64.074 0.3 . 1 . . . . . 188 SER CB . 50210 1 882 . 1 . 1 188 188 SER N N 15 113.872 0.3 . 1 . . . . . 188 SER N . 50210 1 883 . 1 . 1 189 189 ALA H H 1 9.197 0.02 . 1 . . . . . 189 ALA H . 50210 1 884 . 1 . 1 189 189 ALA C C 13 172.189 0.3 . 1 . . . . . 189 ALA C . 50210 1 885 . 1 . 1 189 189 ALA CA C 13 55.086 0.3 . 1 . . . . . 189 ALA CA . 50210 1 886 . 1 . 1 189 189 ALA CB C 13 18.963 0.3 . 1 . . . . . 189 ALA CB . 50210 1 887 . 1 . 1 189 189 ALA N N 15 129.239 0.3 . 1 . . . . . 189 ALA N . 50210 1 888 . 1 . 1 190 190 LYS H H 1 8.174 0.02 . 1 . . . . . 190 LYS H . 50210 1 889 . 1 . 1 190 190 LYS C C 13 178.985 0.3 . 1 . . . . . 190 LYS C . 50210 1 890 . 1 . 1 190 190 LYS CA C 13 58.17 0.3 . 1 . . . . . 190 LYS CA . 50210 1 891 . 1 . 1 190 190 LYS CB C 13 31.989 0.3 . 1 . . . . . 190 LYS CB . 50210 1 892 . 1 . 1 190 190 LYS N N 15 115.246 0.3 . 1 . . . . . 190 LYS N . 50210 1 893 . 1 . 1 191 191 ASP H H 1 7.569 0.02 . 1 . . . . . 191 ASP H . 50210 1 894 . 1 . 1 191 191 ASP C C 13 176.198 0.3 . 1 . . . . . 191 ASP C . 50210 1 895 . 1 . 1 191 191 ASP CA C 13 55.229 0.3 . 1 . . . . . 191 ASP CA . 50210 1 896 . 1 . 1 191 191 ASP CB C 13 41.396 0.3 . 1 . . . . . 191 ASP CB . 50210 1 897 . 1 . 1 191 191 ASP N N 15 116.303 0.3 . 1 . . . . . 191 ASP N . 50210 1 898 . 1 . 1 192 192 ILE H H 1 7.425 0.02 . 1 . . . . . 192 ILE H . 50210 1 899 . 1 . 1 192 192 ILE C C 13 175.73 0.3 . 1 . . . . . 192 ILE C . 50210 1 900 . 1 . 1 192 192 ILE CA C 13 63.134 0.3 . 1 . . . . . 192 ILE CA . 50210 1 901 . 1 . 1 192 192 ILE CB C 13 39.01 0.3 . 1 . . . . . 192 ILE CB . 50210 1 902 . 1 . 1 192 192 ILE N N 15 119.749 0.3 . 1 . . . . . 192 ILE N . 50210 1 903 . 1 . 1 193 193 LYS H H 1 9.558 0.02 . 1 . . . . . 193 LYS H . 50210 1 904 . 1 . 1 193 193 LYS C C 13 174.847 0.3 . 1 . . . . . 193 LYS C . 50210 1 905 . 1 . 1 193 193 LYS CA C 13 57.48 0.3 . 1 . . . . . 193 LYS CA . 50210 1 906 . 1 . 1 193 193 LYS CB C 13 34.631 0.3 . 1 . . . . . 193 LYS CB . 50210 1 907 . 1 . 1 193 193 LYS N N 15 128.365 0.3 . 1 . . . . . 193 LYS N . 50210 1 908 . 1 . 1 194 194 LYS H H 1 7.464 0.02 . 1 . . . . . 194 LYS H . 50210 1 909 . 1 . 1 194 194 LYS C C 13 178.403 0.3 . 1 . . . . . 194 LYS C . 50210 1 910 . 1 . 1 194 194 LYS CA C 13 55.88 0.3 . 1 . . . . . 194 LYS CA . 50210 1 911 . 1 . 1 194 194 LYS CB C 13 31.7 0.3 . 1 . . . . . 194 LYS CB . 50210 1 912 . 1 . 1 194 194 LYS N N 15 112.241 0.3 . 1 . . . . . 194 LYS N . 50210 1 913 . 1 . 1 195 195 ILE H H 1 8.092 0.02 . 1 . . . . . 195 ILE H . 50210 1 914 . 1 . 1 195 195 ILE C C 13 177.778 0.3 . 1 . . . . . 195 ILE C . 50210 1 915 . 1 . 1 195 195 ILE CA C 13 60.379 0.3 . 1 . . . . . 195 ILE CA . 50210 1 916 . 1 . 1 195 195 ILE CB C 13 42.679 0.3 . 1 . . . . . 195 ILE CB . 50210 1 917 . 1 . 1 195 195 ILE N N 15 119.75 0.3 . 1 . . . . . 195 ILE N . 50210 1 918 . 1 . 1 196 196 ASP H H 1 8.894 0.02 . 1 . . . . . 196 ASP H . 50210 1 919 . 1 . 1 196 196 ASP C C 13 176.169 0.3 . 1 . . . . . 196 ASP C . 50210 1 920 . 1 . 1 196 196 ASP CA C 13 53.022 0.3 . 1 . . . . . 196 ASP CA . 50210 1 921 . 1 . 1 196 196 ASP CB C 13 43.532 0.3 . 1 . . . . . 196 ASP CB . 50210 1 922 . 1 . 1 196 196 ASP N N 15 126.115 0.3 . 1 . . . . . 196 ASP N . 50210 1 923 . 1 . 1 197 197 ILE H H 1 8.957 0.02 . 1 . . . . . 197 ILE H . 50210 1 924 . 1 . 1 197 197 ILE C C 13 177.769 0.3 . 1 . . . . . 197 ILE C . 50210 1 925 . 1 . 1 197 197 ILE CA C 13 62.021 0.3 . 1 . . . . . 197 ILE CA . 50210 1 926 . 1 . 1 197 197 ILE CB C 13 39.232 0.3 . 1 . . . . . 197 ILE CB . 50210 1 927 . 1 . 1 197 197 ILE N N 15 127.289 0.3 . 1 . . . . . 197 ILE N . 50210 1 928 . 1 . 1 198 198 ASP H H 1 9.351 0.02 . 1 . . . . . 198 ASP H . 50210 1 929 . 1 . 1 198 198 ASP C C 13 178.288 0.3 . 1 . . . . . 198 ASP C . 50210 1 930 . 1 . 1 198 198 ASP CA C 13 54.398 0.3 . 1 . . . . . 198 ASP CA . 50210 1 931 . 1 . 1 198 198 ASP CB C 13 45.293 0.3 . 1 . . . . . 198 ASP CB . 50210 1 932 . 1 . 1 198 198 ASP N N 15 131.91 0.3 . 1 . . . . . 198 ASP N . 50210 1 933 . 1 . 1 199 199 VAL H H 1 8.552 0.02 . 1 . . . . . 199 VAL H . 50210 1 934 . 1 . 1 199 199 VAL C C 13 177.545 0.3 . 1 . . . . . 199 VAL C . 50210 1 935 . 1 . 1 199 199 VAL CA C 13 61.002 0.3 . 1 . . . . . 199 VAL CA . 50210 1 936 . 1 . 1 199 199 VAL CB C 13 35.234 0.3 . 1 . . . . . 199 VAL CB . 50210 1 937 . 1 . 1 199 199 VAL N N 15 125.653 0.3 . 1 . . . . . 199 VAL N . 50210 1 938 . 1 . 1 200 200 LYS H H 1 9.07 0.02 . 1 . . . . . 200 LYS H . 50210 1 939 . 1 . 1 200 200 LYS C C 13 172.785 0.3 . 1 . . . . . 200 LYS C . 50210 1 940 . 1 . 1 200 200 LYS CA C 13 57.762 0.3 . 1 . . . . . 200 LYS CA . 50210 1 941 . 1 . 1 200 200 LYS CB C 13 35.005 0.3 . 1 . . . . . 200 LYS CB . 50210 1 942 . 1 . 1 200 200 LYS N N 15 132.118 0.3 . 1 . . . . . 200 LYS N . 50210 1 943 . 1 . 1 201 201 GLN H H 1 7.531 0.02 . 1 . . . . . 201 GLN H . 50210 1 944 . 1 . 1 201 201 GLN CA C 13 55.799 0.3 . 1 . . . . . 201 GLN CA . 50210 1 945 . 1 . 1 201 201 GLN CB C 13 26.669 0.3 . 1 . . . . . 201 GLN CB . 50210 1 946 . 1 . 1 201 201 GLN N N 15 112.739 0.3 . 1 . . . . . 201 GLN N . 50210 1 947 . 1 . 1 202 202 TYR H H 1 8.609 0.02 . 1 . . . . . 202 TYR H . 50210 1 948 . 1 . 1 202 202 TYR CA C 13 54.669 0.3 . 1 . . . . . 202 TYR CA . 50210 1 949 . 1 . 1 202 202 TYR N N 15 119.963 0.3 . 1 . . . . . 202 TYR N . 50210 1 950 . 1 . 1 203 203 THR H H 1 8.578 0.02 . 1 . . . . . 203 THR H . 50210 1 951 . 1 . 1 203 203 THR C C 13 178.223 0.3 . 1 . . . . . 203 THR C . 50210 1 952 . 1 . 1 203 203 THR CA C 13 54.2 0.3 . 1 . . . . . 203 THR CA . 50210 1 953 . 1 . 1 203 203 THR CB C 13 72.127 0.3 . 1 . . . . . 203 THR CB . 50210 1 954 . 1 . 1 203 203 THR N N 15 119.543 0.3 . 1 . . . . . 203 THR N . 50210 1 955 . 1 . 1 204 204 LYS H H 1 8.555 0.02 . 1 . . . . . 204 LYS H . 50210 1 956 . 1 . 1 204 204 LYS C C 13 176.472 0.3 . 1 . . . . . 204 LYS C . 50210 1 957 . 1 . 1 204 204 LYS CA C 13 67.586 0.3 . 1 . . . . . 204 LYS CA . 50210 1 958 . 1 . 1 204 204 LYS CB C 13 41.328 0.3 . 1 . . . . . 204 LYS CB . 50210 1 959 . 1 . 1 204 204 LYS N N 15 116.7 0.3 . 1 . . . . . 204 LYS N . 50210 1 960 . 1 . 1 205 205 SER H H 1 6.888 0.02 . 1 . . . . . 205 SER H . 50210 1 961 . 1 . 1 205 205 SER C C 13 174.544 0.3 . 1 . . . . . 205 SER C . 50210 1 962 . 1 . 1 205 205 SER CA C 13 67.739 0.3 . 1 . . . . . 205 SER CA . 50210 1 963 . 1 . 1 205 205 SER CB C 13 54.491 0.3 . 1 . . . . . 205 SER CB . 50210 1 964 . 1 . 1 205 205 SER N N 15 111.813 0.3 . 1 . . . . . 205 SER N . 50210 1 965 . 1 . 1 206 206 LYS H H 1 8.221 0.02 . 1 . . . . . 206 LYS H . 50210 1 966 . 1 . 1 206 206 LYS C C 13 172.758 0.3 . 1 . . . . . 206 LYS C . 50210 1 967 . 1 . 1 206 206 LYS CA C 13 61.488 0.3 . 1 . . . . . 206 LYS CA . 50210 1 968 . 1 . 1 206 206 LYS CB C 13 31.891 0.3 . 1 . . . . . 206 LYS CB . 50210 1 969 . 1 . 1 206 206 LYS N N 15 119.076 0.3 . 1 . . . . . 206 LYS N . 50210 1 970 . 1 . 1 207 207 LYS H H 1 7.332 0.02 . 1 . . . . . 207 LYS H . 50210 1 971 . 1 . 1 207 207 LYS C C 13 175.436 0.3 . 1 . . . . . 207 LYS C . 50210 1 972 . 1 . 1 207 207 LYS CA C 13 60.633 0.3 . 1 . . . . . 207 LYS CA . 50210 1 973 . 1 . 1 207 207 LYS CB C 13 38.255 0.3 . 1 . . . . . 207 LYS CB . 50210 1 974 . 1 . 1 207 207 LYS N N 15 119.453 0.3 . 1 . . . . . 207 LYS N . 50210 1 975 . 1 . 1 208 208 LYS H H 1 7.332 0.02 . 1 . . . . . 208 LYS H . 50210 1 976 . 1 . 1 208 208 LYS C C 13 173.83 0.3 . 1 . . . . . 208 LYS C . 50210 1 977 . 1 . 1 208 208 LYS CA C 13 60.314 0.3 . 1 . . . . . 208 LYS CA . 50210 1 978 . 1 . 1 208 208 LYS CB C 13 38.235 0.3 . 1 . . . . . 208 LYS CB . 50210 1 979 . 1 . 1 208 208 LYS N N 15 119.436 0.3 . 1 . . . . . 208 LYS N . 50210 1 stop_ save_