data_51598 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51598 _Entry.Title ; SNAP25a (Rattus norvegicus) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-24 _Entry.Accession_date 2022-08-24 _Entry.Last_release_date 2022-08-26 _Entry.Original_release_date 2022-08-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Tobias Stief . . . . 51598 2 Nils-Alexander Lakomek . . . . 51598 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51598 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 595 51598 '15N chemical shifts' 204 51598 '1H chemical shifts' 204 51598 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-04-14 2022-08-24 update BMRB 'update entry citation' 51598 1 . . 2022-08-31 2022-08-24 original author 'original release' 51598 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51598 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37003471 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Intrinsic Disorder of the Neuronal SNARE Protein SNAP25a in its Pre-fusion Conformation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 435 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 168069 _Citation.Page_last 168069 _Citation.Year 2023 _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 Tobias Stief T. . . . 51598 1 2 Lothar Gremer L. . . . 51598 1 3 Sonja Pribicevic S. . . . 51598 1 4 Delane Espinueva D. F. . . 51598 1 5 Katharina Vormann K. . . . 51598 1 6 Ralf Biehl R. . . . 51598 1 7 Reinhard Jahn R. . . . 51598 1 8 Angel Perez-Lara A. . . . 51598 1 9 Nils-Alexander Lakomek N. A. . . 51598 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51598 _Assembly.ID 1 _Assembly.Name SNAP25a _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 23272 _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 SNAP25a 1 $entity_1 . . yes native no no . . . 51598 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51598 _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 ; MAEDADMRNELEEMQRRADQ LADESLESTRRMLQLVEESK DAGIRTLVMLDEQGEQLDRV EEGMNHINQDMKEAEKNLKD LGKSSGLFISPSNKLKSSDA YKKAWGNNQDGVVASQPARV VDEREQMAISGGFIRRVTND ARENEMDENLEQVSGIIGNL RHMALDMGNEIDTQNRQIDR IMEKADSNKTRIDEANQRAT KMLGSG ; _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 206 _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 'C84S, C85S, C90S, C92S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23272 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51598 1 2 . ALA . 51598 1 3 . GLU . 51598 1 4 . ASP . 51598 1 5 . ALA . 51598 1 6 . ASP . 51598 1 7 . MET . 51598 1 8 . ARG . 51598 1 9 . ASN . 51598 1 10 . GLU . 51598 1 11 . LEU . 51598 1 12 . GLU . 51598 1 13 . GLU . 51598 1 14 . MET . 51598 1 15 . GLN . 51598 1 16 . ARG . 51598 1 17 . ARG . 51598 1 18 . ALA . 51598 1 19 . ASP . 51598 1 20 . GLN . 51598 1 21 . LEU . 51598 1 22 . ALA . 51598 1 23 . ASP . 51598 1 24 . GLU . 51598 1 25 . SER . 51598 1 26 . LEU . 51598 1 27 . GLU . 51598 1 28 . SER . 51598 1 29 . THR . 51598 1 30 . ARG . 51598 1 31 . ARG . 51598 1 32 . MET . 51598 1 33 . LEU . 51598 1 34 . GLN . 51598 1 35 . LEU . 51598 1 36 . VAL . 51598 1 37 . GLU . 51598 1 38 . GLU . 51598 1 39 . SER . 51598 1 40 . LYS . 51598 1 41 . ASP . 51598 1 42 . ALA . 51598 1 43 . GLY . 51598 1 44 . ILE . 51598 1 45 . ARG . 51598 1 46 . THR . 51598 1 47 . LEU . 51598 1 48 . VAL . 51598 1 49 . MET . 51598 1 50 . LEU . 51598 1 51 . ASP . 51598 1 52 . GLU . 51598 1 53 . GLN . 51598 1 54 . GLY . 51598 1 55 . GLU . 51598 1 56 . GLN . 51598 1 57 . LEU . 51598 1 58 . ASP . 51598 1 59 . ARG . 51598 1 60 . VAL . 51598 1 61 . GLU . 51598 1 62 . GLU . 51598 1 63 . GLY . 51598 1 64 . MET . 51598 1 65 . ASN . 51598 1 66 . HIS . 51598 1 67 . ILE . 51598 1 68 . ASN . 51598 1 69 . GLN . 51598 1 70 . ASP . 51598 1 71 . MET . 51598 1 72 . LYS . 51598 1 73 . GLU . 51598 1 74 . ALA . 51598 1 75 . GLU . 51598 1 76 . LYS . 51598 1 77 . ASN . 51598 1 78 . LEU . 51598 1 79 . LYS . 51598 1 80 . ASP . 51598 1 81 . LEU . 51598 1 82 . GLY . 51598 1 83 . LYS . 51598 1 84 . SER . 51598 1 85 . SER . 51598 1 86 . GLY . 51598 1 87 . LEU . 51598 1 88 . PHE . 51598 1 89 . ILE . 51598 1 90 . SER . 51598 1 91 . PRO . 51598 1 92 . SER . 51598 1 93 . ASN . 51598 1 94 . LYS . 51598 1 95 . LEU . 51598 1 96 . LYS . 51598 1 97 . SER . 51598 1 98 . SER . 51598 1 99 . ASP . 51598 1 100 . ALA . 51598 1 101 . TYR . 51598 1 102 . LYS . 51598 1 103 . LYS . 51598 1 104 . ALA . 51598 1 105 . TRP . 51598 1 106 . GLY . 51598 1 107 . ASN . 51598 1 108 . ASN . 51598 1 109 . GLN . 51598 1 110 . ASP . 51598 1 111 . GLY . 51598 1 112 . VAL . 51598 1 113 . VAL . 51598 1 114 . ALA . 51598 1 115 . SER . 51598 1 116 . GLN . 51598 1 117 . PRO . 51598 1 118 . ALA . 51598 1 119 . ARG . 51598 1 120 . VAL . 51598 1 121 . VAL . 51598 1 122 . ASP . 51598 1 123 . GLU . 51598 1 124 . ARG . 51598 1 125 . GLU . 51598 1 126 . GLN . 51598 1 127 . MET . 51598 1 128 . ALA . 51598 1 129 . ILE . 51598 1 130 . SER . 51598 1 131 . GLY . 51598 1 132 . GLY . 51598 1 133 . PHE . 51598 1 134 . ILE . 51598 1 135 . ARG . 51598 1 136 . ARG . 51598 1 137 . VAL . 51598 1 138 . THR . 51598 1 139 . ASN . 51598 1 140 . ASP . 51598 1 141 . ALA . 51598 1 142 . ARG . 51598 1 143 . GLU . 51598 1 144 . ASN . 51598 1 145 . GLU . 51598 1 146 . MET . 51598 1 147 . ASP . 51598 1 148 . GLU . 51598 1 149 . ASN . 51598 1 150 . LEU . 51598 1 151 . GLU . 51598 1 152 . GLN . 51598 1 153 . VAL . 51598 1 154 . SER . 51598 1 155 . GLY . 51598 1 156 . ILE . 51598 1 157 . ILE . 51598 1 158 . GLY . 51598 1 159 . ASN . 51598 1 160 . LEU . 51598 1 161 . ARG . 51598 1 162 . HIS . 51598 1 163 . MET . 51598 1 164 . ALA . 51598 1 165 . LEU . 51598 1 166 . ASP . 51598 1 167 . MET . 51598 1 168 . GLY . 51598 1 169 . ASN . 51598 1 170 . GLU . 51598 1 171 . ILE . 51598 1 172 . ASP . 51598 1 173 . THR . 51598 1 174 . GLN . 51598 1 175 . ASN . 51598 1 176 . ARG . 51598 1 177 . GLN . 51598 1 178 . ILE . 51598 1 179 . ASP . 51598 1 180 . ARG . 51598 1 181 . ILE . 51598 1 182 . MET . 51598 1 183 . GLU . 51598 1 184 . LYS . 51598 1 185 . ALA . 51598 1 186 . ASP . 51598 1 187 . SER . 51598 1 188 . ASN . 51598 1 189 . LYS . 51598 1 190 . THR . 51598 1 191 . ARG . 51598 1 192 . ILE . 51598 1 193 . ASP . 51598 1 194 . GLU . 51598 1 195 . ALA . 51598 1 196 . ASN . 51598 1 197 . GLN . 51598 1 198 . ARG . 51598 1 199 . ALA . 51598 1 200 . THR . 51598 1 201 . LYS . 51598 1 202 . MET . 51598 1 203 . LEU . 51598 1 204 . GLY . 51598 1 205 . SER . 51598 1 206 . GLY . 51598 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51598 1 . ALA 2 2 51598 1 . GLU 3 3 51598 1 . ASP 4 4 51598 1 . ALA 5 5 51598 1 . ASP 6 6 51598 1 . MET 7 7 51598 1 . ARG 8 8 51598 1 . ASN 9 9 51598 1 . GLU 10 10 51598 1 . LEU 11 11 51598 1 . GLU 12 12 51598 1 . GLU 13 13 51598 1 . MET 14 14 51598 1 . GLN 15 15 51598 1 . ARG 16 16 51598 1 . ARG 17 17 51598 1 . ALA 18 18 51598 1 . ASP 19 19 51598 1 . GLN 20 20 51598 1 . LEU 21 21 51598 1 . ALA 22 22 51598 1 . ASP 23 23 51598 1 . GLU 24 24 51598 1 . SER 25 25 51598 1 . LEU 26 26 51598 1 . GLU 27 27 51598 1 . SER 28 28 51598 1 . THR 29 29 51598 1 . ARG 30 30 51598 1 . ARG 31 31 51598 1 . MET 32 32 51598 1 . LEU 33 33 51598 1 . GLN 34 34 51598 1 . LEU 35 35 51598 1 . VAL 36 36 51598 1 . GLU 37 37 51598 1 . GLU 38 38 51598 1 . SER 39 39 51598 1 . LYS 40 40 51598 1 . ASP 41 41 51598 1 . ALA 42 42 51598 1 . GLY 43 43 51598 1 . ILE 44 44 51598 1 . ARG 45 45 51598 1 . THR 46 46 51598 1 . LEU 47 47 51598 1 . VAL 48 48 51598 1 . MET 49 49 51598 1 . LEU 50 50 51598 1 . ASP 51 51 51598 1 . GLU 52 52 51598 1 . GLN 53 53 51598 1 . GLY 54 54 51598 1 . GLU 55 55 51598 1 . GLN 56 56 51598 1 . LEU 57 57 51598 1 . ASP 58 58 51598 1 . ARG 59 59 51598 1 . VAL 60 60 51598 1 . GLU 61 61 51598 1 . GLU 62 62 51598 1 . GLY 63 63 51598 1 . MET 64 64 51598 1 . ASN 65 65 51598 1 . HIS 66 66 51598 1 . ILE 67 67 51598 1 . ASN 68 68 51598 1 . GLN 69 69 51598 1 . ASP 70 70 51598 1 . MET 71 71 51598 1 . LYS 72 72 51598 1 . GLU 73 73 51598 1 . ALA 74 74 51598 1 . GLU 75 75 51598 1 . LYS 76 76 51598 1 . ASN 77 77 51598 1 . LEU 78 78 51598 1 . LYS 79 79 51598 1 . ASP 80 80 51598 1 . LEU 81 81 51598 1 . GLY 82 82 51598 1 . LYS 83 83 51598 1 . SER 84 84 51598 1 . SER 85 85 51598 1 . GLY 86 86 51598 1 . LEU 87 87 51598 1 . PHE 88 88 51598 1 . ILE 89 89 51598 1 . SER 90 90 51598 1 . PRO 91 91 51598 1 . SER 92 92 51598 1 . ASN 93 93 51598 1 . LYS 94 94 51598 1 . LEU 95 95 51598 1 . LYS 96 96 51598 1 . SER 97 97 51598 1 . SER 98 98 51598 1 . ASP 99 99 51598 1 . ALA 100 100 51598 1 . TYR 101 101 51598 1 . LYS 102 102 51598 1 . LYS 103 103 51598 1 . ALA 104 104 51598 1 . TRP 105 105 51598 1 . GLY 106 106 51598 1 . ASN 107 107 51598 1 . ASN 108 108 51598 1 . GLN 109 109 51598 1 . ASP 110 110 51598 1 . GLY 111 111 51598 1 . VAL 112 112 51598 1 . VAL 113 113 51598 1 . ALA 114 114 51598 1 . SER 115 115 51598 1 . GLN 116 116 51598 1 . PRO 117 117 51598 1 . ALA 118 118 51598 1 . ARG 119 119 51598 1 . VAL 120 120 51598 1 . VAL 121 121 51598 1 . ASP 122 122 51598 1 . GLU 123 123 51598 1 . ARG 124 124 51598 1 . GLU 125 125 51598 1 . GLN 126 126 51598 1 . MET 127 127 51598 1 . ALA 128 128 51598 1 . ILE 129 129 51598 1 . SER 130 130 51598 1 . GLY 131 131 51598 1 . GLY 132 132 51598 1 . PHE 133 133 51598 1 . ILE 134 134 51598 1 . ARG 135 135 51598 1 . ARG 136 136 51598 1 . VAL 137 137 51598 1 . THR 138 138 51598 1 . ASN 139 139 51598 1 . ASP 140 140 51598 1 . ALA 141 141 51598 1 . ARG 142 142 51598 1 . GLU 143 143 51598 1 . ASN 144 144 51598 1 . GLU 145 145 51598 1 . MET 146 146 51598 1 . ASP 147 147 51598 1 . GLU 148 148 51598 1 . ASN 149 149 51598 1 . LEU 150 150 51598 1 . GLU 151 151 51598 1 . GLN 152 152 51598 1 . VAL 153 153 51598 1 . SER 154 154 51598 1 . GLY 155 155 51598 1 . ILE 156 156 51598 1 . ILE 157 157 51598 1 . GLY 158 158 51598 1 . ASN 159 159 51598 1 . LEU 160 160 51598 1 . ARG 161 161 51598 1 . HIS 162 162 51598 1 . MET 163 163 51598 1 . ALA 164 164 51598 1 . LEU 165 165 51598 1 . ASP 166 166 51598 1 . MET 167 167 51598 1 . GLY 168 168 51598 1 . ASN 169 169 51598 1 . GLU 170 170 51598 1 . ILE 171 171 51598 1 . ASP 172 172 51598 1 . THR 173 173 51598 1 . GLN 174 174 51598 1 . ASN 175 175 51598 1 . ARG 176 176 51598 1 . GLN 177 177 51598 1 . ILE 178 178 51598 1 . ASP 179 179 51598 1 . ARG 180 180 51598 1 . ILE 181 181 51598 1 . MET 182 182 51598 1 . GLU 183 183 51598 1 . LYS 184 184 51598 1 . ALA 185 185 51598 1 . ASP 186 186 51598 1 . SER 187 187 51598 1 . ASN 188 188 51598 1 . LYS 189 189 51598 1 . THR 190 190 51598 1 . ARG 191 191 51598 1 . ILE 192 192 51598 1 . ASP 193 193 51598 1 . GLU 194 194 51598 1 . ALA 195 195 51598 1 . ASN 196 196 51598 1 . GLN 197 197 51598 1 . ARG 198 198 51598 1 . ALA 199 199 51598 1 . THR 200 200 51598 1 . LYS 201 201 51598 1 . MET 202 202 51598 1 . LEU 203 203 51598 1 . GLY 204 204 51598 1 . SER 205 205 51598 1 . GLY 206 206 51598 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 51598 _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 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 51598 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 51598 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-28a(+) . . . 51598 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51598 _Sample.ID 1 _Sample.Name SNAP25a _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 SNAP25a '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 51598 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51598 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51598 1 4 TCEP 'natural abundance' . . . . . . 0.1 . . mM . . . . 51598 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 51598 _Sample_condition_list.ID 1 _Sample_condition_list.Name '3D backbone assignment conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 51598 1 pressure 1 . atm 51598 1 temperature 288.15 . K 51598 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51598 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51598 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51598 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 51598 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51598 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 750MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 51598 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51598 1 2 '3D HNCACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51598 1 3 '3D HNCO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51598 1 4 '3D HN(CO)CA' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51598 1 5 '3D HN(CO)CACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51598 1 6 '3D HN(CA)CO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51598 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '3D HNCA' hnca . 'Time-domain (raw spectral data)' . . 51598 1 2 '3D HNCACB' hncacb . 'Time-domain (raw spectral data)' . . 51598 1 3 '3D HNCO' hnco . 'Time-domain (raw spectral data)' . . 51598 1 4 '3D HN(CO)CA' hncoca . 'Time-domain (raw spectral data)' . . 51598 1 5 '3D HN(CO)CACB' hncocacb . 'Time-domain (raw spectral data)' . . 51598 1 6 '3D HN(CA)CO' hncaco . 'Time-domain (raw spectral data)' . . 51598 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51598 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name SNAP25a _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 0.00 na indirect 0.251449530 . . . . . 51598 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51598 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51598 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 51598 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SNAP25a _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 51598 1 2 '3D HNCACB' . . . 51598 1 3 '3D HNCO' . . . 51598 1 4 '3D HN(CO)CA' . . . 51598 1 5 '3D HN(CO)CACB' . . . 51598 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 . . 51598 1 2 $software_2 . . 51598 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.44 0 . . . . . . . 1 MET H . 51598 1 2 . 1 . 1 1 1 MET C C 13 176.2 0 . . . . . . . 1 MET C . 51598 1 3 . 1 . 1 1 1 MET CA C 13 55.62 0 . . . . . . . 1 MET CA . 51598 1 4 . 1 . 1 1 1 MET CB C 13 32.59 0 . . . . . . . 1 MET CB . 51598 1 5 . 1 . 1 1 1 MET N N 15 122.01 0 . . . . . . . 1 MET N . 51598 1 6 . 1 . 1 2 2 ALA H H 1 8.32 0 . . . . . . . 2 ALA H . 51598 1 7 . 1 . 1 2 2 ALA C C 13 177.96 0 . . . . . . . 2 ALA C . 51598 1 8 . 1 . 1 2 2 ALA CA C 13 52.78 0 . . . . . . . 2 ALA CA . 51598 1 9 . 1 . 1 2 2 ALA CB C 13 18.87 0 . . . . . . . 2 ALA CB . 51598 1 10 . 1 . 1 2 2 ALA N N 15 124.5 0 . . . . . . . 2 ALA N . 51598 1 11 . 1 . 1 3 3 GLU H H 1 8.44 0 . . . . . . . 3 GLU H . 51598 1 12 . 1 . 1 3 3 GLU C C 13 176.57 0 . . . . . . . 3 GLU C . 51598 1 13 . 1 . 1 3 3 GLU CA C 13 56.92 0 . . . . . . . 3 GLU CA . 51598 1 14 . 1 . 1 3 3 GLU CB C 13 29.81 0 . . . . . . . 3 GLU CB . 51598 1 15 . 1 . 1 3 3 GLU N N 15 119.71 0 . . . . . . . 3 GLU N . 51598 1 16 . 1 . 1 4 4 ASP H H 1 8.32 0 . . . . . . . 4 ASP H . 51598 1 17 . 1 . 1 4 4 ASP C C 13 176.48 0 . . . . . . . 4 ASP C . 51598 1 18 . 1 . 1 4 4 ASP CA C 13 54.47 0 . . . . . . . 4 ASP CA . 51598 1 19 . 1 . 1 4 4 ASP CB C 13 40.88 0 . . . . . . . 4 ASP CB . 51598 1 20 . 1 . 1 4 4 ASP N N 15 120.74 0 . . . . . . . 4 ASP N . 51598 1 21 . 1 . 1 5 5 ALA H H 1 8.27 0 . . . . . . . 5 ALA H . 51598 1 22 . 1 . 1 5 5 ALA C C 13 178.24 0 . . . . . . . 5 ALA C . 51598 1 23 . 1 . 1 5 5 ALA CA C 13 53.65 0 . . . . . . . 5 ALA CA . 51598 1 24 . 1 . 1 5 5 ALA CB C 13 18.8 0 . . . . . . . 5 ALA CB . 51598 1 25 . 1 . 1 5 5 ALA N N 15 124.06 0 . . . . . . . 5 ALA N . 51598 1 26 . 1 . 1 6 6 ASP H H 1 8.33 0 . . . . . . . 6 ASP H . 51598 1 27 . 1 . 1 6 6 ASP C C 13 177.17 0 . . . . . . . 6 ASP C . 51598 1 28 . 1 . 1 6 6 ASP CA C 13 55.24 0 . . . . . . . 6 ASP CA . 51598 1 29 . 1 . 1 6 6 ASP CB C 13 40.44 0 . . . . . . . 6 ASP CB . 51598 1 30 . 1 . 1 6 6 ASP N N 15 118.47 0 . . . . . . . 6 ASP N . 51598 1 31 . 1 . 1 7 7 MET H H 1 8.21 0 . . . . . . . 7 MET H . 51598 1 32 . 1 . 1 7 7 MET C C 13 177.08 0 . . . . . . . 7 MET C . 51598 1 33 . 1 . 1 7 7 MET CA C 13 56.24 0 . . . . . . . 7 MET CA . 51598 1 34 . 1 . 1 7 7 MET CB C 13 32.34 0 . . . . . . . 7 MET CB . 51598 1 35 . 1 . 1 7 7 MET N N 15 120.58 0 . . . . . . . 7 MET N . 51598 1 36 . 1 . 1 8 8 ARG H H 1 8.26 0 . . . . . . . 8 ARG H . 51598 1 37 . 1 . 1 8 8 ARG C C 13 177.15 0 . . . . . . . 8 ARG C . 51598 1 38 . 1 . 1 8 8 ARG CA C 13 57.68 0 . . . . . . . 8 ARG CA . 51598 1 39 . 1 . 1 8 8 ARG CB C 13 30.02 0 . . . . . . . 8 ARG CB . 51598 1 40 . 1 . 1 8 8 ARG N N 15 120.75 0 . . . . . . . 8 ARG N . 51598 1 41 . 1 . 1 9 9 ASN H H 1 8.5 0 . . . . . . . 9 ASN H . 51598 1 42 . 1 . 1 9 9 ASN C C 13 176.29 0 . . . . . . . 9 ASN C . 51598 1 43 . 1 . 1 9 9 ASN CA C 13 54.34 0 . . . . . . . 9 ASN CA . 51598 1 44 . 1 . 1 9 9 ASN CB C 13 38.4 0 . . . . . . . 9 ASN CB . 51598 1 45 . 1 . 1 9 9 ASN N N 15 119.01 0 . . . . . . . 9 ASN N . 51598 1 46 . 1 . 1 10 10 GLU H H 1 8.44 0 . . . . . . . 10 GLU H . 51598 1 47 . 1 . 1 10 10 GLU C C 13 177.99 0 . . . . . . . 10 GLU C . 51598 1 48 . 1 . 1 10 10 GLU CA C 13 58.47 0 . . . . . . . 10 GLU CA . 51598 1 49 . 1 . 1 10 10 GLU CB C 13 29.41 0 . . . . . . . 10 GLU CB . 51598 1 50 . 1 . 1 10 10 GLU N N 15 121.55 0 . . . . . . . 10 GLU N . 51598 1 51 . 1 . 1 11 11 LEU H H 1 8.21 0 . . . . . . . 11 LEU H . 51598 1 52 . 1 . 1 11 11 LEU C C 13 179.18 0 . . . . . . . 11 LEU C . 51598 1 53 . 1 . 1 11 11 LEU CA C 13 57.12 0 . . . . . . . 11 LEU CA . 51598 1 54 . 1 . 1 11 11 LEU CB C 13 41.51 0 . . . . . . . 11 LEU CB . 51598 1 55 . 1 . 1 11 11 LEU N N 15 120.65 0 . . . . . . . 11 LEU N . 51598 1 56 . 1 . 1 12 12 GLU H H 1 8.25 0 . . . . . . . 12 GLU H . 51598 1 57 . 1 . 1 12 12 GLU C C 13 178.61 0 . . . . . . . 12 GLU C . 51598 1 58 . 1 . 1 12 12 GLU CA C 13 58.61 0 . . . . . . . 12 GLU CA . 51598 1 59 . 1 . 1 12 12 GLU CB C 13 29.16 0 . . . . . . . 12 GLU CB . 51598 1 60 . 1 . 1 12 12 GLU N N 15 119.83 0 . . . . . . . 12 GLU N . 51598 1 61 . 1 . 1 13 13 GLU H H 1 8.25 0 . . . . . . . 13 GLU H . 51598 1 62 . 1 . 1 13 13 GLU C C 13 178.31 0 . . . . . . . 13 GLU C . 51598 1 63 . 1 . 1 13 13 GLU CA C 13 58.44 0 . . . . . . . 13 GLU CA . 51598 1 64 . 1 . 1 13 13 GLU CB C 13 29.04 0 . . . . . . . 13 GLU CB . 51598 1 65 . 1 . 1 13 13 GLU N N 15 120.11 0 . . . . . . . 13 GLU N . 51598 1 66 . 1 . 1 14 14 MET H H 1 8.25 0 . . . . . . . 14 MET H . 51598 1 67 . 1 . 1 14 14 MET C C 13 178.46 0 . . . . . . . 14 MET C . 51598 1 68 . 1 . 1 14 14 MET CA C 13 57.83 0 . . . . . . . 14 MET CA . 51598 1 69 . 1 . 1 14 14 MET CB C 13 32.05 0 . . . . . . . 14 MET CB . 51598 1 70 . 1 . 1 14 14 MET N N 15 119.11 0 . . . . . . . 14 MET N . 51598 1 71 . 1 . 1 15 15 GLN H H 1 8.17 0 . . . . . . . 15 GLN H . 51598 1 72 . 1 . 1 15 15 GLN C C 13 177.09 0 . . . . . . . 15 GLN C . 51598 1 73 . 1 . 1 15 15 GLN CA C 13 57.63 0 . . . . . . . 15 GLN CA . 51598 1 74 . 1 . 1 15 15 GLN CB C 13 28.28 0 . . . . . . . 15 GLN CB . 51598 1 75 . 1 . 1 15 15 GLN N N 15 120.27 0 . . . . . . . 15 GLN N . 51598 1 76 . 1 . 1 16 16 ARG H H 1 8.16 0 . . . . . . . 16 ARG H . 51598 1 77 . 1 . 1 16 16 ARG C C 13 178.36 0 . . . . . . . 16 ARG C . 51598 1 78 . 1 . 1 16 16 ARG CA C 13 58.22 0 . . . . . . . 16 ARG CA . 51598 1 79 . 1 . 1 16 16 ARG CB C 13 30.04 0 . . . . . . . 16 ARG CB . 51598 1 80 . 1 . 1 16 16 ARG N N 15 120.31 0 . . . . . . . 16 ARG N . 51598 1 81 . 1 . 1 17 17 ARG H H 1 8.16 0 . . . . . . . 17 ARG H . 51598 1 82 . 1 . 1 17 17 ARG C C 13 177.7 0 . . . . . . . 17 ARG C . 51598 1 83 . 1 . 1 17 17 ARG CA C 13 57.78 0 . . . . . . . 17 ARG CA . 51598 1 84 . 1 . 1 17 17 ARG CB C 13 30.12 0 . . . . . . . 17 ARG CB . 51598 1 85 . 1 . 1 17 17 ARG N N 15 119.66 0 . . . . . . . 17 ARG N . 51598 1 86 . 1 . 1 18 18 ALA H H 1 8.13 0 . . . . . . . 18 ALA H . 51598 1 87 . 1 . 1 18 18 ALA C C 13 179.37 0 . . . . . . . 18 ALA C . 51598 1 88 . 1 . 1 18 18 ALA CA C 13 54.15 0 . . . . . . . 18 ALA CA . 51598 1 89 . 1 . 1 18 18 ALA CB C 13 18.04 0 . . . . . . . 18 ALA CB . 51598 1 90 . 1 . 1 18 18 ALA N N 15 123.24 0 . . . . . . . 18 ALA N . 51598 1 91 . 1 . 1 19 19 ASP H H 1 8.41 0 . . . . . . . 19 ASP H . 51598 1 92 . 1 . 1 19 19 ASP C C 13 177.3 0 . . . . . . . 19 ASP C . 51598 1 93 . 1 . 1 19 19 ASP CA C 13 55.69 0 . . . . . . . 19 ASP CA . 51598 1 94 . 1 . 1 19 19 ASP CB C 13 40.18 0 . . . . . . . 19 ASP CB . 51598 1 95 . 1 . 1 19 19 ASP N N 15 119.01 0 . . . . . . . 19 ASP N . 51598 1 96 . 1 . 1 20 20 GLN H H 1 8.06 0 . . . . . . . 20 GLN H . 51598 1 97 . 1 . 1 20 20 GLN C C 13 177.13 0 . . . . . . . 20 GLN C . 51598 1 98 . 1 . 1 20 20 GLN CA C 13 57.14 0 . . . . . . . 20 GLN CA . 51598 1 99 . 1 . 1 20 20 GLN CB C 13 28.57 0 . . . . . . . 20 GLN CB . 51598 1 100 . 1 . 1 20 20 GLN N N 15 119.71 0 . . . . . . . 20 GLN N . 51598 1 101 . 1 . 1 21 21 LEU H H 1 8.12 0 . . . . . . . 21 LEU H . 51598 1 102 . 1 . 1 21 21 LEU C C 13 178.2 0 . . . . . . . 21 LEU C . 51598 1 103 . 1 . 1 21 21 LEU CA C 13 56.08 0 . . . . . . . 21 LEU CA . 51598 1 104 . 1 . 1 21 21 LEU CB C 13 41.72 0 . . . . . . . 21 LEU CB . 51598 1 105 . 1 . 1 21 21 LEU N N 15 121.21 0 . . . . . . . 21 LEU N . 51598 1 106 . 1 . 1 22 22 ALA H H 1 8.13 0 . . . . . . . 22 ALA H . 51598 1 107 . 1 . 1 22 22 ALA C C 13 178.44 0 . . . . . . . 22 ALA C . 51598 1 108 . 1 . 1 22 22 ALA CA C 13 53.33 0 . . . . . . . 22 ALA CA . 51598 1 109 . 1 . 1 22 22 ALA CB C 13 18.53 0 . . . . . . . 22 ALA CB . 51598 1 110 . 1 . 1 22 22 ALA N N 15 123.42 0 . . . . . . . 22 ALA N . 51598 1 111 . 1 . 1 23 23 ASP H H 1 8.21 0 . . . . . . . 23 ASP H . 51598 1 112 . 1 . 1 23 23 ASP C C 13 177.43 0 . . . . . . . 23 ASP C . 51598 1 113 . 1 . 1 23 23 ASP CA C 13 55.2 0 . . . . . . . 23 ASP CA . 51598 1 114 . 1 . 1 23 23 ASP CB C 13 40.69 0 . . . . . . . 23 ASP CB . 51598 1 115 . 1 . 1 23 23 ASP N N 15 119.53 0 . . . . . . . 23 ASP N . 51598 1 116 . 1 . 1 24 24 GLU H H 1 8.49 0 . . . . . . . 24 GLU H . 51598 1 117 . 1 . 1 24 24 GLU C C 13 177.68 0 . . . . . . . 24 GLU C . 51598 1 118 . 1 . 1 24 24 GLU CA C 13 57.73 0 . . . . . . . 24 GLU CA . 51598 1 119 . 1 . 1 24 24 GLU CB C 13 29.44 0 . . . . . . . 24 GLU CB . 51598 1 120 . 1 . 1 24 24 GLU N N 15 121.63 0 . . . . . . . 24 GLU N . 51598 1 121 . 1 . 1 25 25 SER H H 1 8.38 0 . . . . . . . 25 SER H . 51598 1 122 . 1 . 1 25 25 SER C C 13 175.68 0 . . . . . . . 25 SER C . 51598 1 123 . 1 . 1 25 25 SER CA C 13 59.61 0 . . . . . . . 25 SER CA . 51598 1 124 . 1 . 1 25 25 SER CB C 13 63.32 0 . . . . . . . 25 SER CB . 51598 1 125 . 1 . 1 25 25 SER N N 15 116.09 0 . . . . . . . 25 SER N . 51598 1 126 . 1 . 1 26 26 LEU H H 1 8.12 0 . . . . . . . 26 LEU H . 51598 1 127 . 1 . 1 26 26 LEU C C 13 178.62 0 . . . . . . . 26 LEU C . 51598 1 128 . 1 . 1 26 26 LEU CA C 13 56.56 0 . . . . . . . 26 LEU CA . 51598 1 129 . 1 . 1 26 26 LEU CB C 13 41.72 0 . . . . . . . 26 LEU CB . 51598 1 130 . 1 . 1 26 26 LEU N N 15 123.54 0 . . . . . . . 26 LEU N . 51598 1 131 . 1 . 1 27 27 GLU H H 1 8.37 0 . . . . . . . 27 GLU H . 51598 1 132 . 1 . 1 27 27 GLU C C 13 178.01 0 . . . . . . . 27 GLU C . 51598 1 133 . 1 . 1 27 27 GLU CA C 13 58.24 0 . . . . . . . 27 GLU CA . 51598 1 134 . 1 . 1 27 27 GLU CB C 13 29.02 0 . . . . . . . 27 GLU CB . 51598 1 135 . 1 . 1 27 27 GLU N N 15 120.23 0 . . . . . . . 27 GLU N . 51598 1 136 . 1 . 1 28 28 SER H H 1 8.31 0 . . . . . . . 28 SER H . 51598 1 137 . 1 . 1 28 28 SER C C 13 176.43 0 . . . . . . . 28 SER C . 51598 1 138 . 1 . 1 28 28 SER CA C 13 60.42 0 . . . . . . . 28 SER CA . 51598 1 139 . 1 . 1 28 28 SER CB C 13 62.71 0 . . . . . . . 28 SER CB . 51598 1 140 . 1 . 1 28 28 SER N N 15 115.2 0 . . . . . . . 28 SER N . 51598 1 141 . 1 . 1 29 29 THR H H 1 8.07 0 . . . . . . . 29 THR H . 51598 1 142 . 1 . 1 29 29 THR C C 13 175.57 0 . . . . . . . 29 THR C . 51598 1 143 . 1 . 1 29 29 THR CA C 13 64.64 0 . . . . . . . 29 THR CA . 51598 1 144 . 1 . 1 29 29 THR CB C 13 68.91 0 . . . . . . . 29 THR CB . 51598 1 145 . 1 . 1 29 29 THR N N 15 116.98 0 . . . . . . . 29 THR N . 51598 1 146 . 1 . 1 30 30 ARG H H 1 8.17 0 . . . . . . . 30 ARG H . 51598 1 147 . 1 . 1 30 30 ARG C C 13 177.91 0 . . . . . . . 30 ARG C . 51598 1 148 . 1 . 1 30 30 ARG CA C 13 58.35 0 . . . . . . . 30 ARG CA . 51598 1 149 . 1 . 1 30 30 ARG CB C 13 29.91 0 . . . . . . . 30 ARG CB . 51598 1 150 . 1 . 1 30 30 ARG N N 15 122.04 0 . . . . . . . 30 ARG N . 51598 1 151 . 1 . 1 31 31 ARG H H 1 8.21 0 . . . . . . . 31 ARG H . 51598 1 152 . 1 . 1 31 31 ARG C C 13 177.59 0 . . . . . . . 31 ARG C . 51598 1 153 . 1 . 1 31 31 ARG CA C 13 57.73 0 . . . . . . . 31 ARG CA . 51598 1 154 . 1 . 1 31 31 ARG CB C 13 30.12 0 . . . . . . . 31 ARG CB . 51598 1 155 . 1 . 1 31 31 ARG N N 15 119.92 0 . . . . . . . 31 ARG N . 51598 1 156 . 1 . 1 32 32 MET H H 1 8.12 0 . . . . . . . 32 MET H . 51598 1 157 . 1 . 1 32 32 MET C C 13 177.43 0 . . . . . . . 32 MET C . 51598 1 158 . 1 . 1 32 32 MET CA C 13 56.91 0 . . . . . . . 32 MET CA . 51598 1 159 . 1 . 1 32 32 MET CB C 13 31.89 0 . . . . . . . 32 MET CB . 51598 1 160 . 1 . 1 32 32 MET N N 15 119.65 0 . . . . . . . 32 MET N . 51598 1 161 . 1 . 1 33 33 LEU H H 1 8.12 0 . . . . . . . 33 LEU H . 51598 1 162 . 1 . 1 33 33 LEU C C 13 178.15 0 . . . . . . . 33 LEU C . 51598 1 163 . 1 . 1 33 33 LEU CA C 13 56.2 0 . . . . . . . 33 LEU CA . 51598 1 164 . 1 . 1 33 33 LEU CB C 13 41.73 0 . . . . . . . 33 LEU CB . 51598 1 165 . 1 . 1 33 33 LEU N N 15 121.09 0 . . . . . . . 33 LEU N . 51598 1 166 . 1 . 1 34 34 GLN H H 1 8.13 0 . . . . . . . 34 GLN H . 51598 1 167 . 1 . 1 34 34 GLN C C 13 176.51 0 . . . . . . . 34 GLN C . 51598 1 168 . 1 . 1 34 34 GLN CA C 13 56.75 0 . . . . . . . 34 GLN CA . 51598 1 169 . 1 . 1 34 34 GLN CB C 13 28.56 0 . . . . . . . 34 GLN CB . 51598 1 170 . 1 . 1 34 34 GLN N N 15 119.84 0 . . . . . . . 34 GLN N . 51598 1 171 . 1 . 1 35 35 LEU H H 1 8.11 0 . . . . . . . 35 LEU H . 51598 1 172 . 1 . 1 35 35 LEU C C 13 178.26 0 . . . . . . . 35 LEU C . 51598 1 173 . 1 . 1 35 35 LEU CA C 13 56.03 0 . . . . . . . 35 LEU CA . 51598 1 174 . 1 . 1 35 35 LEU CB C 13 41.83 0 . . . . . . . 35 LEU CB . 51598 1 175 . 1 . 1 35 35 LEU N N 15 121.82 0 . . . . . . . 35 LEU N . 51598 1 176 . 1 . 1 36 36 VAL H H 1 8.06 0 . . . . . . . 36 VAL H . 51598 1 177 . 1 . 1 36 36 VAL C C 13 176.98 0 . . . . . . . 36 VAL C . 51598 1 178 . 1 . 1 36 36 VAL CA C 13 63.46 0 . . . . . . . 36 VAL CA . 51598 1 179 . 1 . 1 36 36 VAL CB C 13 32.26 0 . . . . . . . 36 VAL CB . 51598 1 180 . 1 . 1 36 36 VAL N N 15 120.62 0 . . . . . . . 36 VAL N . 51598 1 181 . 1 . 1 37 37 GLU H H 1 8.36 0 . . . . . . . 37 GLU H . 51598 1 182 . 1 . 1 37 37 GLU C C 13 177.14 0 . . . . . . . 37 GLU C . 51598 1 183 . 1 . 1 37 37 GLU CA C 13 57.21 0 . . . . . . . 37 GLU CA . 51598 1 184 . 1 . 1 37 37 GLU CB C 13 29.84 0 . . . . . . . 37 GLU CB . 51598 1 185 . 1 . 1 37 37 GLU N N 15 123.5 0 . . . . . . . 37 GLU N . 51598 1 186 . 1 . 1 38 38 GLU H H 1 8.49 0 . . . . . . . 38 GLU H . 51598 1 187 . 1 . 1 38 38 GLU C C 13 177.04 0 . . . . . . . 38 GLU C . 51598 1 188 . 1 . 1 38 38 GLU CA C 13 57.04 0 . . . . . . . 38 GLU CA . 51598 1 189 . 1 . 1 38 38 GLU CB C 13 29.88 0 . . . . . . . 38 GLU CB . 51598 1 190 . 1 . 1 38 38 GLU N N 15 121.22 0 . . . . . . . 38 GLU N . 51598 1 191 . 1 . 1 39 39 SER H H 1 8.3 0 . . . . . . . 39 SER H . 51598 1 192 . 1 . 1 39 39 SER C C 13 175.06 0 . . . . . . . 39 SER C . 51598 1 193 . 1 . 1 39 39 SER CA C 13 58.73 0 . . . . . . . 39 SER CA . 51598 1 194 . 1 . 1 39 39 SER CB C 13 63.51 0 . . . . . . . 39 SER CB . 51598 1 195 . 1 . 1 39 39 SER N N 15 116.23 0 . . . . . . . 39 SER N . 51598 1 196 . 1 . 1 40 40 LYS H H 1 8.3 0 . . . . . . . 40 LYS H . 51598 1 197 . 1 . 1 40 40 LYS C C 13 176.67 0 . . . . . . . 40 LYS C . 51598 1 198 . 1 . 1 40 40 LYS CA C 13 56.73 0 . . . . . . . 40 LYS CA . 51598 1 199 . 1 . 1 40 40 LYS CB C 13 32.48 0 . . . . . . . 40 LYS CB . 51598 1 200 . 1 . 1 40 40 LYS N N 15 123.24 0 . . . . . . . 40 LYS N . 51598 1 201 . 1 . 1 41 41 ASP H H 1 8.29 0 . . . . . . . 41 ASP H . 51598 1 202 . 1 . 1 41 41 ASP C C 13 176.17 0 . . . . . . . 41 ASP C . 51598 1 203 . 1 . 1 41 41 ASP CA C 13 54.49 0 . . . . . . . 41 ASP CA . 51598 1 204 . 1 . 1 41 41 ASP CB C 13 40.92 0 . . . . . . . 41 ASP CB . 51598 1 205 . 1 . 1 41 41 ASP N N 15 120.47 0 . . . . . . . 41 ASP N . 51598 1 206 . 1 . 1 42 42 ALA H H 1 8.26 0 . . . . . . . 42 ALA H . 51598 1 207 . 1 . 1 42 42 ALA C C 13 178.46 0 . . . . . . . 42 ALA C . 51598 1 208 . 1 . 1 42 42 ALA CA C 13 53.01 0 . . . . . . . 42 ALA CA . 51598 1 209 . 1 . 1 42 42 ALA CB C 13 18.79 0 . . . . . . . 42 ALA CB . 51598 1 210 . 1 . 1 42 42 ALA N N 15 124.42 0 . . . . . . . 42 ALA N . 51598 1 211 . 1 . 1 43 43 GLY H H 1 8.44 0 . . . . . . . 43 GLY H . 51598 1 212 . 1 . 1 43 43 GLY C C 13 174.29 0 . . . . . . . 43 GLY C . 51598 1 213 . 1 . 1 43 43 GLY CA C 13 45.35 0 . . . . . . . 43 GLY CA . 51598 1 214 . 1 . 1 43 43 GLY N N 15 107.35 0 . . . . . . . 43 GLY N . 51598 1 215 . 1 . 1 44 44 ILE H H 1 7.94 0 . . . . . . . 44 ILE H . 51598 1 216 . 1 . 1 44 44 ILE C C 13 176.48 0 . . . . . . . 44 ILE C . 51598 1 217 . 1 . 1 44 44 ILE CA C 13 61.29 0 . . . . . . . 44 ILE CA . 51598 1 218 . 1 . 1 44 44 ILE CB C 13 38.25 0 . . . . . . . 44 ILE CB . 51598 1 219 . 1 . 1 44 44 ILE N N 15 119.93 0 . . . . . . . 44 ILE N . 51598 1 220 . 1 . 1 45 45 ARG H H 1 8.45 0 . . . . . . . 45 ARG H . 51598 1 221 . 1 . 1 45 45 ARG C C 13 176.34 0 . . . . . . . 45 ARG C . 51598 1 222 . 1 . 1 45 45 ARG CA C 13 56.06 0 . . . . . . . 45 ARG CA . 51598 1 223 . 1 . 1 45 45 ARG CB C 13 30.55 0 . . . . . . . 45 ARG CB . 51598 1 224 . 1 . 1 45 45 ARG N N 15 124.82 0 . . . . . . . 45 ARG N . 51598 1 225 . 1 . 1 46 46 THR H H 1 8.22 0 . . . . . . . 46 THR H . 51598 1 226 . 1 . 1 46 46 THR C C 13 174.19 0 . . . . . . . 46 THR C . 51598 1 227 . 1 . 1 46 46 THR CA C 13 62.05 0 . . . . . . . 46 THR CA . 51598 1 228 . 1 . 1 46 46 THR CB C 13 69.53 0 . . . . . . . 46 THR CB . 51598 1 229 . 1 . 1 46 46 THR N N 15 116.1 0 . . . . . . . 46 THR N . 51598 1 230 . 1 . 1 47 47 LEU H H 1 8.31 0 . . . . . . . 47 LEU H . 51598 1 231 . 1 . 1 47 47 LEU C C 13 176.97 0 . . . . . . . 47 LEU C . 51598 1 232 . 1 . 1 47 47 LEU CA C 13 55.24 0 . . . . . . . 47 LEU CA . 51598 1 233 . 1 . 1 47 47 LEU CB C 13 42.14 0 . . . . . . . 47 LEU CB . 51598 1 234 . 1 . 1 47 47 LEU N N 15 124.86 0 . . . . . . . 47 LEU N . 51598 1 235 . 1 . 1 48 48 VAL H H 1 8.17 0 . . . . . . . 48 VAL H . 51598 1 236 . 1 . 1 48 48 VAL C C 13 175.83 0 . . . . . . . 48 VAL C . 51598 1 237 . 1 . 1 48 48 VAL CA C 13 62.36 0 . . . . . . . 48 VAL CA . 51598 1 238 . 1 . 1 48 48 VAL CB C 13 32.49 0 . . . . . . . 48 VAL CB . 51598 1 239 . 1 . 1 48 48 VAL N N 15 121.62 0 . . . . . . . 48 VAL N . 51598 1 240 . 1 . 1 49 49 MET H H 1 8.5 0 . . . . . . . 49 MET H . 51598 1 241 . 1 . 1 49 49 MET C C 13 175.82 0 . . . . . . . 49 MET C . 51598 1 242 . 1 . 1 49 49 MET CA C 13 55.08 0 . . . . . . . 49 MET CA . 51598 1 243 . 1 . 1 49 49 MET CB C 13 32.6 0 . . . . . . . 49 MET CB . 51598 1 244 . 1 . 1 49 49 MET N N 15 124.57 0 . . . . . . . 49 MET N . 51598 1 245 . 1 . 1 50 50 LEU H H 1 8.35 0 . . . . . . . 50 LEU H . 51598 1 246 . 1 . 1 50 50 LEU C C 13 177.14 0 . . . . . . . 50 LEU C . 51598 1 247 . 1 . 1 50 50 LEU CA C 13 54.95 0 . . . . . . . 50 LEU CA . 51598 1 248 . 1 . 1 50 50 LEU CB C 13 42.54 0 . . . . . . . 50 LEU CB . 51598 1 249 . 1 . 1 50 50 LEU N N 15 123.51 0 . . . . . . . 50 LEU N . 51598 1 250 . 1 . 1 51 51 ASP H H 1 8.46 0 . . . . . . . 51 ASP H . 51598 1 251 . 1 . 1 51 51 ASP C C 13 176.65 0 . . . . . . . 51 ASP C . 51598 1 252 . 1 . 1 51 51 ASP CA C 13 53.98 0 . . . . . . . 51 ASP CA . 51598 1 253 . 1 . 1 51 51 ASP CB C 13 40.89 0 . . . . . . . 51 ASP CB . 51598 1 254 . 1 . 1 51 51 ASP N N 15 121.02 0 . . . . . . . 51 ASP N . 51598 1 255 . 1 . 1 52 52 GLU H H 1 8.49 0 . . . . . . . 52 GLU H . 51598 1 256 . 1 . 1 52 52 GLU C C 13 176.83 0 . . . . . . . 52 GLU C . 51598 1 257 . 1 . 1 52 52 GLU CA C 13 57.14 0 . . . . . . . 52 GLU CA . 51598 1 258 . 1 . 1 52 52 GLU CB C 13 29.7 0 . . . . . . . 52 GLU CB . 51598 1 259 . 1 . 1 52 52 GLU N N 15 120.76 0 . . . . . . . 52 GLU N . 51598 1 260 . 1 . 1 53 53 GLN H H 1 8.43 0 . . . . . . . 53 GLN H . 51598 1 261 . 1 . 1 53 53 GLN C C 13 176.59 0 . . . . . . . 53 GLN C . 51598 1 262 . 1 . 1 53 53 GLN CA C 13 55.98 0 . . . . . . . 53 GLN CA . 51598 1 263 . 1 . 1 53 53 GLN CB C 13 29.11 0 . . . . . . . 53 GLN CB . 51598 1 264 . 1 . 1 53 53 GLN N N 15 119.83 0 . . . . . . . 53 GLN N . 51598 1 265 . 1 . 1 54 54 GLY H H 1 8.35 0 . . . . . . . 54 GLY H . 51598 1 266 . 1 . 1 54 54 GLY C C 13 174.03 0 . . . . . . . 54 GLY C . 51598 1 267 . 1 . 1 54 54 GLY CA C 13 45.27 0 . . . . . . . 54 GLY CA . 51598 1 268 . 1 . 1 54 54 GLY N N 15 109.15 0 . . . . . . . 54 GLY N . 51598 1 269 . 1 . 1 55 55 GLU H H 1 8.41 0 . . . . . . . 55 GLU H . 51598 1 270 . 1 . 1 55 55 GLU C C 13 176.45 0 . . . . . . . 55 GLU C . 51598 1 271 . 1 . 1 55 55 GLU CA C 13 56.26 0 . . . . . . . 55 GLU CA . 51598 1 272 . 1 . 1 55 55 GLU CB C 13 30.09 0 . . . . . . . 55 GLU CB . 51598 1 273 . 1 . 1 55 55 GLU N N 15 120.55 0 . . . . . . . 55 GLU N . 51598 1 274 . 1 . 1 56 56 GLN H H 1 8.58 0 . . . . . . . 56 GLN H . 51598 1 275 . 1 . 1 56 56 GLN C C 13 176.11 0 . . . . . . . 56 GLN C . 51598 1 276 . 1 . 1 56 56 GLN CA C 13 55.74 0 . . . . . . . 56 GLN CA . 51598 1 277 . 1 . 1 56 56 GLN CB C 13 28.82 0 . . . . . . . 56 GLN CB . 51598 1 278 . 1 . 1 56 56 GLN N N 15 121.34 0 . . . . . . . 56 GLN N . 51598 1 279 . 1 . 1 57 57 LEU H H 1 8.38 0 . . . . . . . 57 LEU H . 51598 1 280 . 1 . 1 57 57 LEU C C 13 177.12 0 . . . . . . . 57 LEU C . 51598 1 281 . 1 . 1 57 57 LEU CA C 13 55.22 0 . . . . . . . 57 LEU CA . 51598 1 282 . 1 . 1 57 57 LEU CB C 13 42.24 0 . . . . . . . 57 LEU CB . 51598 1 283 . 1 . 1 57 57 LEU N N 15 123.77 0 . . . . . . . 57 LEU N . 51598 1 284 . 1 . 1 58 58 ASP H H 1 8.44 0 . . . . . . . 58 ASP H . 51598 1 285 . 1 . 1 58 58 ASP C C 13 175.96 0 . . . . . . . 58 ASP C . 51598 1 286 . 1 . 1 58 58 ASP CA C 13 54.24 0 . . . . . . . 58 ASP CA . 51598 1 287 . 1 . 1 58 58 ASP CB C 13 40.68 0 . . . . . . . 58 ASP CB . 51598 1 288 . 1 . 1 58 58 ASP N N 15 120.53 0 . . . . . . . 58 ASP N . 51598 1 289 . 1 . 1 59 59 ARG H H 1 8.19 0 . . . . . . . 59 ARG H . 51598 1 290 . 1 . 1 59 59 ARG C C 13 176.3 0 . . . . . . . 59 ARG C . 51598 1 291 . 1 . 1 59 59 ARG CA C 13 56.01 0 . . . . . . . 59 ARG CA . 51598 1 292 . 1 . 1 59 59 ARG CB C 13 30.48 0 . . . . . . . 59 ARG CB . 51598 1 293 . 1 . 1 59 59 ARG N N 15 121.1 0 . . . . . . . 59 ARG N . 51598 1 294 . 1 . 1 60 60 VAL H H 1 8.29 0 . . . . . . . 60 VAL H . 51598 1 295 . 1 . 1 60 60 VAL C C 13 176.36 0 . . . . . . . 60 VAL C . 51598 1 296 . 1 . 1 60 60 VAL CA C 13 62.61 0 . . . . . . . 60 VAL CA . 51598 1 297 . 1 . 1 60 60 VAL CB C 13 32.36 0 . . . . . . . 60 VAL CB . 51598 1 298 . 1 . 1 60 60 VAL N N 15 122.15 0 . . . . . . . 60 VAL N . 51598 1 299 . 1 . 1 61 61 GLU H H 1 8.59 0 . . . . . . . 61 GLU H . 51598 1 300 . 1 . 1 61 61 GLU C C 13 176.57 0 . . . . . . . 61 GLU C . 51598 1 301 . 1 . 1 61 61 GLU CA C 13 56.49 0 . . . . . . . 61 GLU CA . 51598 1 302 . 1 . 1 61 61 GLU CB C 13 29.88 0 . . . . . . . 61 GLU CB . 51598 1 303 . 1 . 1 61 61 GLU N N 15 124.58 0 . . . . . . . 61 GLU N . 51598 1 304 . 1 . 1 62 62 GLU H H 1 8.53 0 . . . . . . . 62 GLU H . 51598 1 305 . 1 . 1 62 62 GLU C C 13 177.24 0 . . . . . . . 62 GLU C . 51598 1 306 . 1 . 1 62 62 GLU CA C 13 57.04 0 . . . . . . . 62 GLU CA . 51598 1 307 . 1 . 1 62 62 GLU CB C 13 29.89 0 . . . . . . . 62 GLU CB . 51598 1 308 . 1 . 1 62 62 GLU N N 15 122.1 0 . . . . . . . 62 GLU N . 51598 1 309 . 1 . 1 63 63 GLY H H 1 8.54 0 . . . . . . . 63 GLY H . 51598 1 310 . 1 . 1 63 63 GLY C C 13 174.5 0 . . . . . . . 63 GLY C . 51598 1 311 . 1 . 1 63 63 GLY CA C 13 45.45 0 . . . . . . . 63 GLY CA . 51598 1 312 . 1 . 1 63 63 GLY N N 15 109.61 0 . . . . . . . 63 GLY N . 51598 1 313 . 1 . 1 64 64 MET H H 1 8.2 0 . . . . . . . 64 MET H . 51598 1 314 . 1 . 1 64 64 MET C C 13 176.1 0 . . . . . . . 64 MET C . 51598 1 315 . 1 . 1 64 64 MET CA C 13 55.51 0 . . . . . . . 64 MET CA . 51598 1 316 . 1 . 1 64 64 MET CB C 13 32.33 0 . . . . . . . 64 MET CB . 51598 1 317 . 1 . 1 64 64 MET N N 15 119.14 0 . . . . . . . 64 MET N . 51598 1 318 . 1 . 1 65 65 ASN H H 1 8.45 0 . . . . . . . 65 ASN H . 51598 1 319 . 1 . 1 65 65 ASN C C 13 174.95 0 . . . . . . . 65 ASN C . 51598 1 320 . 1 . 1 65 65 ASN CA C 13 53.3 0 . . . . . . . 65 ASN CA . 51598 1 321 . 1 . 1 65 65 ASN CB C 13 38.43 0 . . . . . . . 65 ASN CB . 51598 1 322 . 1 . 1 65 65 ASN N N 15 118.78 0 . . . . . . . 65 ASN N . 51598 1 323 . 1 . 1 66 66 HIS H H 1 8.42 0 . . . . . . . 66 HIS H . 51598 1 324 . 1 . 1 66 66 HIS C C 13 174.64 0 . . . . . . . 66 HIS C . 51598 1 325 . 1 . 1 66 66 HIS CA C 13 55.7 0 . . . . . . . 66 HIS CA . 51598 1 326 . 1 . 1 66 66 HIS CB C 13 29.02 0 . . . . . . . 66 HIS CB . 51598 1 327 . 1 . 1 66 66 HIS N N 15 119.11 0 . . . . . . . 66 HIS N . 51598 1 328 . 1 . 1 67 67 ILE H H 1 8.14 0 . . . . . . . 67 ILE H . 51598 1 329 . 1 . 1 67 67 ILE C C 13 175.97 0 . . . . . . . 67 ILE C . 51598 1 330 . 1 . 1 67 67 ILE CA C 13 61.34 0 . . . . . . . 67 ILE CA . 51598 1 331 . 1 . 1 67 67 ILE CB C 13 38.37 0 . . . . . . . 67 ILE CB . 51598 1 332 . 1 . 1 67 67 ILE N N 15 121.83 0 . . . . . . . 67 ILE N . 51598 1 333 . 1 . 1 68 68 ASN H H 1 8.6 0 . . . . . . . 68 ASN H . 51598 1 334 . 1 . 1 68 68 ASN C C 13 175.46 0 . . . . . . . 68 ASN C . 51598 1 335 . 1 . 1 68 68 ASN CA C 13 53.39 0 . . . . . . . 68 ASN CA . 51598 1 336 . 1 . 1 68 68 ASN CB C 13 38.43 0 . . . . . . . 68 ASN CB . 51598 1 337 . 1 . 1 68 68 ASN N N 15 122.43 0 . . . . . . . 68 ASN N . 51598 1 338 . 1 . 1 69 69 GLN H H 1 8.49 0 . . . . . . . 69 GLN H . 51598 1 339 . 1 . 1 69 69 GLN C C 13 175.9 0 . . . . . . . 69 GLN C . 51598 1 340 . 1 . 1 69 69 GLN CA C 13 56.32 0 . . . . . . . 69 GLN CA . 51598 1 341 . 1 . 1 69 69 GLN CB C 13 29.01 0 . . . . . . . 69 GLN CB . 51598 1 342 . 1 . 1 69 69 GLN N N 15 121.22 0 . . . . . . . 69 GLN N . 51598 1 343 . 1 . 1 70 70 ASP H H 1 8.44 0 . . . . . . . 70 ASP H . 51598 1 344 . 1 . 1 70 70 ASP C C 13 176.83 0 . . . . . . . 70 ASP C . 51598 1 345 . 1 . 1 70 70 ASP CA C 13 54.86 0 . . . . . . . 70 ASP CA . 51598 1 346 . 1 . 1 70 70 ASP CB C 13 40.62 0 . . . . . . . 70 ASP CB . 51598 1 347 . 1 . 1 70 70 ASP N N 15 120.95 0 . . . . . . . 70 ASP N . 51598 1 348 . 1 . 1 71 71 MET H H 1 8.32 0 . . . . . . . 71 MET H . 51598 1 349 . 1 . 1 71 71 MET C C 13 176.88 0 . . . . . . . 71 MET C . 51598 1 350 . 1 . 1 71 71 MET CA C 13 56.07 0 . . . . . . . 71 MET CA . 51598 1 351 . 1 . 1 71 71 MET CB C 13 32.28 0 . . . . . . . 71 MET CB . 51598 1 352 . 1 . 1 71 71 MET N N 15 121.0 0 . . . . . . . 71 MET N . 51598 1 353 . 1 . 1 72 72 LYS H H 1 8.32 0 . . . . . . . 72 LYS H . 51598 1 354 . 1 . 1 72 72 LYS C C 13 177.6 0 . . . . . . . 72 LYS C . 51598 1 355 . 1 . 1 72 72 LYS CA C 13 57.14 0 . . . . . . . 72 LYS CA . 51598 1 356 . 1 . 1 72 72 LYS CB C 13 32.32 0 . . . . . . . 72 LYS CB . 51598 1 357 . 1 . 1 72 72 LYS N N 15 121.45 0 . . . . . . . 72 LYS N . 51598 1 358 . 1 . 1 73 73 GLU H H 1 8.4 0 . . . . . . . 73 GLU H . 51598 1 359 . 1 . 1 73 73 GLU C C 13 177.05 0 . . . . . . . 73 GLU C . 51598 1 360 . 1 . 1 73 73 GLU CA C 13 57.29 0 . . . . . . . 73 GLU CA . 51598 1 361 . 1 . 1 73 73 GLU CB C 13 29.55 0 . . . . . . . 73 GLU CB . 51598 1 362 . 1 . 1 73 73 GLU N N 15 121.27 0 . . . . . . . 73 GLU N . 51598 1 363 . 1 . 1 74 74 ALA H H 1 8.26 0 . . . . . . . 74 ALA H . 51598 1 364 . 1 . 1 74 74 ALA C C 13 178.7 0 . . . . . . . 74 ALA C . 51598 1 365 . 1 . 1 74 74 ALA CA C 13 53.35 0 . . . . . . . 74 ALA CA . 51598 1 366 . 1 . 1 74 74 ALA CB C 13 18.6 0 . . . . . . . 74 ALA CB . 51598 1 367 . 1 . 1 74 74 ALA N N 15 123.33 0 . . . . . . . 74 ALA N . 51598 1 368 . 1 . 1 75 75 GLU H H 1 8.23 0 . . . . . . . 75 GLU H . 51598 1 369 . 1 . 1 75 75 GLU C C 13 177.27 0 . . . . . . . 75 GLU C . 51598 1 370 . 1 . 1 75 75 GLU CA C 13 57.29 0 . . . . . . . 75 GLU CA . 51598 1 371 . 1 . 1 75 75 GLU CB C 13 29.65 0 . . . . . . . 75 GLU CB . 51598 1 372 . 1 . 1 75 75 GLU N N 15 118.9 0 . . . . . . . 75 GLU N . 51598 1 373 . 1 . 1 76 76 LYS H H 1 8.13 0 . . . . . . . 76 LYS H . 51598 1 374 . 1 . 1 76 76 LYS C C 13 176.78 0 . . . . . . . 76 LYS C . 51598 1 375 . 1 . 1 76 76 LYS CA C 13 57.23 0 . . . . . . . 76 LYS CA . 51598 1 376 . 1 . 1 76 76 LYS CB C 13 32.55 0 . . . . . . . 76 LYS CB . 51598 1 377 . 1 . 1 76 76 LYS N N 15 121.14 0 . . . . . . . 76 LYS N . 51598 1 378 . 1 . 1 77 77 ASN H H 1 8.39 0 . . . . . . . 77 ASN H . 51598 1 379 . 1 . 1 77 77 ASN C C 13 175.65 0 . . . . . . . 77 ASN C . 51598 1 380 . 1 . 1 77 77 ASN CA C 13 53.57 0 . . . . . . . 77 ASN CA . 51598 1 381 . 1 . 1 77 77 ASN CB C 13 38.38 0 . . . . . . . 77 ASN CB . 51598 1 382 . 1 . 1 77 77 ASN N N 15 118.26 0 . . . . . . . 77 ASN N . 51598 1 383 . 1 . 1 78 78 LEU H H 1 8.13 0 . . . . . . . 78 LEU H . 51598 1 384 . 1 . 1 78 78 LEU C C 13 178.01 0 . . . . . . . 78 LEU C . 51598 1 385 . 1 . 1 78 78 LEU CA C 13 55.89 0 . . . . . . . 78 LEU CA . 51598 1 386 . 1 . 1 78 78 LEU CB C 13 41.77 0 . . . . . . . 78 LEU CB . 51598 1 387 . 1 . 1 78 78 LEU N N 15 121.81 0 . . . . . . . 78 LEU N . 51598 1 388 . 1 . 1 79 79 LYS H H 1 8.19 0 . . . . . . . 79 LYS H . 51598 1 389 . 1 . 1 79 79 LYS C C 13 176.74 0 . . . . . . . 79 LYS C . 51598 1 390 . 1 . 1 79 79 LYS CA C 13 57.01 0 . . . . . . . 79 LYS CA . 51598 1 391 . 1 . 1 79 79 LYS CB C 13 32.44 0 . . . . . . . 79 LYS CB . 51598 1 392 . 1 . 1 79 79 LYS N N 15 120.52 0 . . . . . . . 79 LYS N . 51598 1 393 . 1 . 1 80 80 ASP H H 1 8.25 0 . . . . . . . 80 ASP H . 51598 1 394 . 1 . 1 80 80 ASP C C 13 176.66 0 . . . . . . . 80 ASP C . 51598 1 395 . 1 . 1 80 80 ASP CA C 13 54.53 0 . . . . . . . 80 ASP CA . 51598 1 396 . 1 . 1 80 80 ASP CB C 13 40.68 0 . . . . . . . 80 ASP CB . 51598 1 397 . 1 . 1 80 80 ASP N N 15 120.3 0 . . . . . . . 80 ASP N . 51598 1 398 . 1 . 1 81 81 LEU H H 1 8.2 0 . . . . . . . 81 LEU H . 51598 1 399 . 1 . 1 81 81 LEU C C 13 178.37 0 . . . . . . . 81 LEU C . 51598 1 400 . 1 . 1 81 81 LEU CA C 13 55.67 0 . . . . . . . 81 LEU CA . 51598 1 401 . 1 . 1 81 81 LEU CB C 13 41.72 0 . . . . . . . 81 LEU CB . 51598 1 402 . 1 . 1 81 81 LEU N N 15 122.43 0 . . . . . . . 81 LEU N . 51598 1 403 . 1 . 1 82 82 GLY H H 1 8.46 0 . . . . . . . 82 GLY H . 51598 1 404 . 1 . 1 82 82 GLY C C 13 174.59 0 . . . . . . . 82 GLY C . 51598 1 405 . 1 . 1 82 82 GLY CA C 13 45.58 0 . . . . . . . 82 GLY CA . 51598 1 406 . 1 . 1 82 82 GLY N N 15 108.44 0 . . . . . . . 82 GLY N . 51598 1 407 . 1 . 1 83 83 LYS H H 1 8.09 0 . . . . . . . 83 LYS H . 51598 1 408 . 1 . 1 83 83 LYS C C 13 177.0 0 . . . . . . . 83 LYS C . 51598 1 409 . 1 . 1 83 83 LYS CA C 13 56.44 0 . . . . . . . 83 LYS CA . 51598 1 410 . 1 . 1 83 83 LYS CB C 13 32.72 0 . . . . . . . 83 LYS CB . 51598 1 411 . 1 . 1 83 83 LYS N N 15 120.34 0 . . . . . . . 83 LYS N . 51598 1 412 . 1 . 1 84 84 SER H H 1 8.42 0 . . . . . . . 84 SER H . 51598 1 413 . 1 . 1 84 84 SER C C 13 174.75 0 . . . . . . . 84 SER C . 51598 1 414 . 1 . 1 84 84 SER CA C 13 58.42 0 . . . . . . . 84 SER CA . 51598 1 415 . 1 . 1 84 84 SER CB C 13 63.53 0 . . . . . . . 84 SER CB . 51598 1 416 . 1 . 1 84 84 SER N N 15 116.23 0 . . . . . . . 84 SER N . 51598 1 417 . 1 . 1 85 85 SER H H 1 8.39 0 . . . . . . . 85 SER H . 51598 1 418 . 1 . 1 85 85 SER C C 13 175.03 0 . . . . . . . 85 SER C . 51598 1 419 . 1 . 1 85 85 SER CA C 13 58.63 0 . . . . . . . 85 SER CA . 51598 1 420 . 1 . 1 85 85 SER CB C 13 63.64 0 . . . . . . . 85 SER CB . 51598 1 421 . 1 . 1 85 85 SER N N 15 117.48 0 . . . . . . . 85 SER N . 51598 1 422 . 1 . 1 86 86 GLY H H 1 8.43 0 . . . . . . . 86 GLY H . 51598 1 423 . 1 . 1 86 86 GLY C C 13 173.78 0 . . . . . . . 86 GLY C . 51598 1 424 . 1 . 1 86 86 GLY CA C 13 45.31 0 . . . . . . . 86 GLY CA . 51598 1 425 . 1 . 1 86 86 GLY N N 15 110.27 0 . . . . . . . 86 GLY N . 51598 1 426 . 1 . 1 87 87 LEU H H 1 7.98 0 . . . . . . . 87 LEU H . 51598 1 427 . 1 . 1 87 87 LEU C C 13 176.75 0 . . . . . . . 87 LEU C . 51598 1 428 . 1 . 1 87 87 LEU CA C 13 54.96 0 . . . . . . . 87 LEU CA . 51598 1 429 . 1 . 1 87 87 LEU CB C 13 42.25 0 . . . . . . . 87 LEU CB . 51598 1 430 . 1 . 1 87 87 LEU N N 15 121.02 0 . . . . . . . 87 LEU N . 51598 1 431 . 1 . 1 88 88 PHE H H 1 8.29 0 . . . . . . . 88 PHE H . 51598 1 432 . 1 . 1 88 88 PHE C C 13 175.04 0 . . . . . . . 88 PHE C . 51598 1 433 . 1 . 1 88 88 PHE CA C 13 57.49 0 . . . . . . . 88 PHE CA . 51598 1 434 . 1 . 1 88 88 PHE CB C 13 39.26 0 . . . . . . . 88 PHE CB . 51598 1 435 . 1 . 1 88 88 PHE N N 15 120.93 0 . . . . . . . 88 PHE N . 51598 1 436 . 1 . 1 89 89 ILE H H 1 8.03 0 . . . . . . . 89 ILE H . 51598 1 437 . 1 . 1 89 89 ILE C C 13 175.41 0 . . . . . . . 89 ILE C . 51598 1 438 . 1 . 1 89 89 ILE CA C 13 60.21 0 . . . . . . . 89 ILE CA . 51598 1 439 . 1 . 1 89 89 ILE CB C 13 38.61 0 . . . . . . . 89 ILE CB . 51598 1 440 . 1 . 1 89 89 ILE N N 15 124.03 0 . . . . . . . 89 ILE N . 51598 1 441 . 1 . 1 90 90 SER H H 1 8.48 0 . . . . . . . 90 SER H . 51598 1 442 . 1 . 1 90 90 SER CA C 13 56.28 0 . . . . . . . 90 SER CA . 51598 1 443 . 1 . 1 90 90 SER CB C 13 63.19 0 . . . . . . . 90 SER CB . 51598 1 444 . 1 . 1 90 90 SER N N 15 121.84 0 . . . . . . . 90 SER N . 51598 1 445 . 1 . 1 92 92 SER H H 1 8.36 0 . . . . . . . 92 SER H . 51598 1 446 . 1 . 1 92 92 SER C C 13 174.66 0 . . . . . . . 92 SER C . 51598 1 447 . 1 . 1 92 92 SER CA C 13 58.63 0 . . . . . . . 92 SER CA . 51598 1 448 . 1 . 1 92 92 SER CB C 13 63.37 0 . . . . . . . 92 SER CB . 51598 1 449 . 1 . 1 92 92 SER N N 15 114.91 0 . . . . . . . 92 SER N . 51598 1 450 . 1 . 1 93 93 ASN H H 1 8.38 0 . . . . . . . 93 ASN H . 51598 1 451 . 1 . 1 93 93 ASN C C 13 175.41 0 . . . . . . . 93 ASN C . 51598 1 452 . 1 . 1 93 93 ASN CA C 13 53.33 0 . . . . . . . 93 ASN CA . 51598 1 453 . 1 . 1 93 93 ASN CB C 13 38.41 0 . . . . . . . 93 ASN CB . 51598 1 454 . 1 . 1 93 93 ASN N N 15 120.77 0 . . . . . . . 93 ASN N . 51598 1 455 . 1 . 1 94 94 LYS H H 1 8.23 0 . . . . . . . 94 LYS H . 51598 1 456 . 1 . 1 94 94 LYS C C 13 176.73 0 . . . . . . . 94 LYS C . 51598 1 457 . 1 . 1 94 94 LYS CA C 13 56.66 0 . . . . . . . 94 LYS CA . 51598 1 458 . 1 . 1 94 94 LYS CB C 13 32.58 0 . . . . . . . 94 LYS CB . 51598 1 459 . 1 . 1 94 94 LYS N N 15 121.26 0 . . . . . . . 94 LYS N . 51598 1 460 . 1 . 1 95 95 LEU H H 1 8.16 0 . . . . . . . 95 LEU H . 51598 1 461 . 1 . 1 95 95 LEU C C 13 177.58 0 . . . . . . . 95 LEU C . 51598 1 462 . 1 . 1 95 95 LEU CA C 13 55.32 0 . . . . . . . 95 LEU CA . 51598 1 463 . 1 . 1 95 95 LEU CB C 13 41.9 0 . . . . . . . 95 LEU CB . 51598 1 464 . 1 . 1 95 95 LEU N N 15 122.21 0 . . . . . . . 95 LEU N . 51598 1 465 . 1 . 1 96 96 LYS H H 1 8.32 0 . . . . . . . 96 LYS H . 51598 1 466 . 1 . 1 96 96 LYS C C 13 176.75 0 . . . . . . . 96 LYS C . 51598 1 467 . 1 . 1 96 96 LYS CA C 13 56.31 0 . . . . . . . 96 LYS CA . 51598 1 468 . 1 . 1 96 96 LYS CB C 13 32.6 0 . . . . . . . 96 LYS CB . 51598 1 469 . 1 . 1 96 96 LYS N N 15 121.67 0 . . . . . . . 96 LYS N . 51598 1 470 . 1 . 1 97 97 SER H H 1 8.32 0 . . . . . . . 97 SER H . 51598 1 471 . 1 . 1 97 97 SER C C 13 174.94 0 . . . . . . . 97 SER C . 51598 1 472 . 1 . 1 97 97 SER CA C 13 58.55 0 . . . . . . . 97 SER CA . 51598 1 473 . 1 . 1 97 97 SER CB C 13 63.49 0 . . . . . . . 97 SER CB . 51598 1 474 . 1 . 1 97 97 SER N N 15 116.37 0 . . . . . . . 97 SER N . 51598 1 475 . 1 . 1 98 98 SER H H 1 8.41 0 . . . . . . . 98 SER H . 51598 1 476 . 1 . 1 98 98 SER C C 13 174.81 0 . . . . . . . 98 SER C . 51598 1 477 . 1 . 1 98 98 SER CA C 13 58.73 0 . . . . . . . 98 SER CA . 51598 1 478 . 1 . 1 98 98 SER CB C 13 63.57 0 . . . . . . . 98 SER CB . 51598 1 479 . 1 . 1 98 98 SER N N 15 117.53 0 . . . . . . . 98 SER N . 51598 1 480 . 1 . 1 99 99 ASP H H 1 8.4 0 . . . . . . . 99 ASP H . 51598 1 481 . 1 . 1 99 99 ASP C C 13 176.66 0 . . . . . . . 99 ASP C . 51598 1 482 . 1 . 1 99 99 ASP CA C 13 55.16 0 . . . . . . . 99 ASP CA . 51598 1 483 . 1 . 1 99 99 ASP CB C 13 40.7 0 . . . . . . . 99 ASP CB . 51598 1 484 . 1 . 1 99 99 ASP N N 15 122.33 0 . . . . . . . 99 ASP N . 51598 1 485 . 1 . 1 100 100 ALA H H 1 8.15 0 . . . . . . . 100 ALA H . 51598 1 486 . 1 . 1 100 100 ALA C C 13 178.23 0 . . . . . . . 100 ALA C . 51598 1 487 . 1 . 1 100 100 ALA CA C 13 53.46 0 . . . . . . . 100 ALA CA . 51598 1 488 . 1 . 1 100 100 ALA CB C 13 18.52 0 . . . . . . . 100 ALA CB . 51598 1 489 . 1 . 1 100 100 ALA N N 15 123.04 0 . . . . . . . 100 ALA N . 51598 1 490 . 1 . 1 101 101 TYR H H 1 8.0 0 . . . . . . . 101 TYR H . 51598 1 491 . 1 . 1 101 101 TYR C C 13 176.04 0 . . . . . . . 101 TYR C . 51598 1 492 . 1 . 1 101 101 TYR CA C 13 58.59 0 . . . . . . . 101 TYR CA . 51598 1 493 . 1 . 1 101 101 TYR CB C 13 38.09 0 . . . . . . . 101 TYR CB . 51598 1 494 . 1 . 1 101 101 TYR N N 15 118.22 0 . . . . . . . 101 TYR N . 51598 1 495 . 1 . 1 102 102 LYS H H 1 7.87 0 . . . . . . . 102 LYS H . 51598 1 496 . 1 . 1 102 102 LYS C C 13 176.72 0 . . . . . . . 102 LYS C . 51598 1 497 . 1 . 1 102 102 LYS CA C 13 56.76 0 . . . . . . . 102 LYS CA . 51598 1 498 . 1 . 1 102 102 LYS CB C 13 32.62 0 . . . . . . . 102 LYS CB . 51598 1 499 . 1 . 1 102 102 LYS N N 15 121.7 0 . . . . . . . 102 LYS N . 51598 1 500 . 1 . 1 103 103 LYS H H 1 8.12 0 . . . . . . . 103 LYS H . 51598 1 501 . 1 . 1 103 103 LYS C C 13 176.48 0 . . . . . . . 103 LYS C . 51598 1 502 . 1 . 1 103 103 LYS CA C 13 56.65 0 . . . . . . . 103 LYS CA . 51598 1 503 . 1 . 1 103 103 LYS CB C 13 32.6 0 . . . . . . . 103 LYS CB . 51598 1 504 . 1 . 1 103 103 LYS N N 15 121.54 0 . . . . . . . 103 LYS N . 51598 1 505 . 1 . 1 104 104 ALA H H 1 8.09 0 . . . . . . . 104 ALA H . 51598 1 506 . 1 . 1 104 104 ALA C C 13 177.46 0 . . . . . . . 104 ALA C . 51598 1 507 . 1 . 1 104 104 ALA CA C 13 52.53 0 . . . . . . . 104 ALA CA . 51598 1 508 . 1 . 1 104 104 ALA CB C 13 18.8 0 . . . . . . . 104 ALA CB . 51598 1 509 . 1 . 1 104 104 ALA N N 15 123.96 0 . . . . . . . 104 ALA N . 51598 1 510 . 1 . 1 105 105 TRP H H 1 8.09 0 . . . . . . . 105 TRP H . 51598 1 511 . 1 . 1 105 105 TRP C C 13 176.8 0 . . . . . . . 105 TRP C . 51598 1 512 . 1 . 1 105 105 TRP CA C 13 57.22 0 . . . . . . . 105 TRP CA . 51598 1 513 . 1 . 1 105 105 TRP CB C 13 29.53 0 . . . . . . . 105 TRP CB . 51598 1 514 . 1 . 1 105 105 TRP N N 15 119.56 0 . . . . . . . 105 TRP N . 51598 1 515 . 1 . 1 106 106 GLY H H 1 8.22 0 . . . . . . . 106 GLY H . 51598 1 516 . 1 . 1 106 106 GLY C C 13 173.75 0 . . . . . . . 106 GLY C . 51598 1 517 . 1 . 1 106 106 GLY CA C 13 45.32 0 . . . . . . . 106 GLY CA . 51598 1 518 . 1 . 1 106 106 GLY N N 15 109.7 0 . . . . . . . 106 GLY N . 51598 1 519 . 1 . 1 107 107 ASN H H 1 8.3 0 . . . . . . . 107 ASN H . 51598 1 520 . 1 . 1 107 107 ASN C C 13 175.09 0 . . . . . . . 107 ASN C . 51598 1 521 . 1 . 1 107 107 ASN CA C 13 53.06 0 . . . . . . . 107 ASN CA . 51598 1 522 . 1 . 1 107 107 ASN CB C 13 38.63 0 . . . . . . . 107 ASN CB . 51598 1 523 . 1 . 1 107 107 ASN N N 15 118.29 0 . . . . . . . 107 ASN N . 51598 1 524 . 1 . 1 108 108 ASN H H 1 8.5 0 . . . . . . . 108 ASN H . 51598 1 525 . 1 . 1 108 108 ASN C C 13 175.35 0 . . . . . . . 108 ASN C . 51598 1 526 . 1 . 1 108 108 ASN CA C 13 53.43 0 . . . . . . . 108 ASN CA . 51598 1 527 . 1 . 1 108 108 ASN CB C 13 38.41 0 . . . . . . . 108 ASN CB . 51598 1 528 . 1 . 1 108 108 ASN N N 15 118.77 0 . . . . . . . 108 ASN N . 51598 1 529 . 1 . 1 109 109 GLN H H 1 8.46 0 . . . . . . . 109 GLN H . 51598 1 530 . 1 . 1 109 109 GLN C C 13 175.8 0 . . . . . . . 109 GLN C . 51598 1 531 . 1 . 1 109 109 GLN CA C 13 55.99 0 . . . . . . . 109 GLN CA . 51598 1 532 . 1 . 1 109 109 GLN CB C 13 28.92 0 . . . . . . . 109 GLN CB . 51598 1 533 . 1 . 1 109 109 GLN N N 15 120.12 0 . . . . . . . 109 GLN N . 51598 1 534 . 1 . 1 110 110 ASP H H 1 8.37 0 . . . . . . . 110 ASP H . 51598 1 535 . 1 . 1 110 110 ASP C C 13 176.71 0 . . . . . . . 110 ASP C . 51598 1 536 . 1 . 1 110 110 ASP CA C 13 54.71 0 . . . . . . . 110 ASP CA . 51598 1 537 . 1 . 1 110 110 ASP CB C 13 40.82 0 . . . . . . . 110 ASP CB . 51598 1 538 . 1 . 1 110 110 ASP N N 15 120.71 0 . . . . . . . 110 ASP N . 51598 1 539 . 1 . 1 111 111 GLY H H 1 8.31 0 . . . . . . . 111 GLY H . 51598 1 540 . 1 . 1 111 111 GLY C C 13 174.0 0 . . . . . . . 111 GLY C . 51598 1 541 . 1 . 1 111 111 GLY CA C 13 45.3 0 . . . . . . . 111 GLY CA . 51598 1 542 . 1 . 1 111 111 GLY N N 15 108.87 0 . . . . . . . 111 GLY N . 51598 1 543 . 1 . 1 112 112 VAL H H 1 7.94 0 . . . . . . . 112 VAL H . 51598 1 544 . 1 . 1 112 112 VAL C C 13 176.34 0 . . . . . . . 112 VAL C . 51598 1 545 . 1 . 1 112 112 VAL CA C 13 62.51 0 . . . . . . . 112 VAL CA . 51598 1 546 . 1 . 1 112 112 VAL CB C 13 32.32 0 . . . . . . . 112 VAL CB . 51598 1 547 . 1 . 1 112 112 VAL N N 15 119.95 0 . . . . . . . 112 VAL N . 51598 1 548 . 1 . 1 113 113 VAL H H 1 8.32 0 . . . . . . . 113 VAL H . 51598 1 549 . 1 . 1 113 113 VAL C C 13 175.87 0 . . . . . . . 113 VAL C . 51598 1 550 . 1 . 1 113 113 VAL CA C 13 62.2 0 . . . . . . . 113 VAL CA . 51598 1 551 . 1 . 1 113 113 VAL CB C 13 32.41 0 . . . . . . . 113 VAL CB . 51598 1 552 . 1 . 1 113 113 VAL N N 15 124.78 0 . . . . . . . 113 VAL N . 51598 1 553 . 1 . 1 114 114 ALA H H 1 8.48 0 . . . . . . . 114 ALA H . 51598 1 554 . 1 . 1 114 114 ALA C C 13 177.54 0 . . . . . . . 114 ALA C . 51598 1 555 . 1 . 1 114 114 ALA CA C 13 52.39 0 . . . . . . . 114 ALA CA . 51598 1 556 . 1 . 1 114 114 ALA CB C 13 19.01 0 . . . . . . . 114 ALA CB . 51598 1 557 . 1 . 1 114 114 ALA N N 15 128.2 0 . . . . . . . 114 ALA N . 51598 1 558 . 1 . 1 115 115 SER H H 1 8.31 0 . . . . . . . 115 SER H . 51598 1 559 . 1 . 1 115 115 SER C C 13 174.07 0 . . . . . . . 115 SER C . 51598 1 560 . 1 . 1 115 115 SER CA C 13 58.13 0 . . . . . . . 115 SER CA . 51598 1 561 . 1 . 1 115 115 SER CB C 13 63.61 0 . . . . . . . 115 SER CB . 51598 1 562 . 1 . 1 115 115 SER N N 15 115.28 0 . . . . . . . 115 SER N . 51598 1 563 . 1 . 1 116 116 GLN H H 1 8.37 0 . . . . . . . 116 GLN H . 51598 1 564 . 1 . 1 116 116 GLN CA C 13 53.54 0 . . . . . . . 116 GLN CA . 51598 1 565 . 1 . 1 116 116 GLN CB C 13 28.75 0 . . . . . . . 116 GLN CB . 51598 1 566 . 1 . 1 116 116 GLN N N 15 122.6 0 . . . . . . . 116 GLN N . 51598 1 567 . 1 . 1 118 118 ALA H H 1 8.47 0 . . . . . . . 118 ALA H . 51598 1 568 . 1 . 1 118 118 ALA C C 13 177.61 0 . . . . . . . 118 ALA C . 51598 1 569 . 1 . 1 118 118 ALA CA C 13 52.31 0 . . . . . . . 118 ALA CA . 51598 1 570 . 1 . 1 118 118 ALA CB C 13 18.83 0 . . . . . . . 118 ALA CB . 51598 1 571 . 1 . 1 118 118 ALA N N 15 124.37 0 . . . . . . . 118 ALA N . 51598 1 572 . 1 . 1 119 119 ARG H H 1 8.36 0 . . . . . . . 119 ARG H . 51598 1 573 . 1 . 1 119 119 ARG C C 13 176.11 0 . . . . . . . 119 ARG C . 51598 1 574 . 1 . 1 119 119 ARG CA C 13 55.88 0 . . . . . . . 119 ARG CA . 51598 1 575 . 1 . 1 119 119 ARG CB C 13 30.66 0 . . . . . . . 119 ARG CB . 51598 1 576 . 1 . 1 119 119 ARG N N 15 120.75 0 . . . . . . . 119 ARG N . 51598 1 577 . 1 . 1 120 120 VAL H H 1 8.35 0 . . . . . . . 120 VAL H . 51598 1 578 . 1 . 1 120 120 VAL C C 13 176.12 0 . . . . . . . 120 VAL C . 51598 1 579 . 1 . 1 120 120 VAL CA C 13 62.39 0 . . . . . . . 120 VAL CA . 51598 1 580 . 1 . 1 120 120 VAL CB C 13 32.33 0 . . . . . . . 120 VAL CB . 51598 1 581 . 1 . 1 120 120 VAL N N 15 123.21 0 . . . . . . . 120 VAL N . 51598 1 582 . 1 . 1 121 121 VAL H H 1 8.33 0 . . . . . . . 121 VAL H . 51598 1 583 . 1 . 1 121 121 VAL C C 13 175.55 0 . . . . . . . 121 VAL C . 51598 1 584 . 1 . 1 121 121 VAL CA C 13 62.26 0 . . . . . . . 121 VAL CA . 51598 1 585 . 1 . 1 121 121 VAL CB C 13 32.54 0 . . . . . . . 121 VAL CB . 51598 1 586 . 1 . 1 121 121 VAL N N 15 124.22 0 . . . . . . . 121 VAL N . 51598 1 587 . 1 . 1 122 122 ASP H H 1 8.48 0 . . . . . . . 122 ASP H . 51598 1 588 . 1 . 1 122 122 ASP C C 13 176.42 0 . . . . . . . 122 ASP C . 51598 1 589 . 1 . 1 122 122 ASP CA C 13 53.89 0 . . . . . . . 122 ASP CA . 51598 1 590 . 1 . 1 122 122 ASP CB C 13 41.23 0 . . . . . . . 122 ASP CB . 51598 1 591 . 1 . 1 122 122 ASP N N 15 124.67 0 . . . . . . . 122 ASP N . 51598 1 592 . 1 . 1 123 123 GLU H H 1 8.67 0 . . . . . . . 123 GLU H . 51598 1 593 . 1 . 1 123 123 GLU C C 13 177.2 0 . . . . . . . 123 GLU C . 51598 1 594 . 1 . 1 123 123 GLU CA C 13 57.63 0 . . . . . . . 123 GLU CA . 51598 1 595 . 1 . 1 123 123 GLU CB C 13 29.58 0 . . . . . . . 123 GLU CB . 51598 1 596 . 1 . 1 123 123 GLU N N 15 122.94 0 . . . . . . . 123 GLU N . 51598 1 597 . 1 . 1 124 124 ARG H H 1 8.4 0 . . . . . . . 124 ARG H . 51598 1 598 . 1 . 1 124 124 ARG C C 13 177.46 0 . . . . . . . 124 ARG C . 51598 1 599 . 1 . 1 124 124 ARG CA C 13 57.38 0 . . . . . . . 124 ARG CA . 51598 1 600 . 1 . 1 124 124 ARG CB C 13 29.96 0 . . . . . . . 124 ARG CB . 51598 1 601 . 1 . 1 124 124 ARG N N 15 120.27 0 . . . . . . . 124 ARG N . 51598 1 602 . 1 . 1 125 125 GLU H H 1 8.29 0 . . . . . . . 125 GLU H . 51598 1 603 . 1 . 1 125 125 GLU C C 13 177.11 0 . . . . . . . 125 GLU C . 51598 1 604 . 1 . 1 125 125 GLU CA C 13 57.34 0 . . . . . . . 125 GLU CA . 51598 1 605 . 1 . 1 125 125 GLU CB C 13 29.56 0 . . . . . . . 125 GLU CB . 51598 1 606 . 1 . 1 125 125 GLU N N 15 120.66 0 . . . . . . . 125 GLU N . 51598 1 607 . 1 . 1 126 126 GLN H H 1 8.32 0 . . . . . . . 126 GLN H . 51598 1 608 . 1 . 1 126 126 GLN C C 13 176.67 0 . . . . . . . 126 GLN C . 51598 1 609 . 1 . 1 126 126 GLN CA C 13 56.5 0 . . . . . . . 126 GLN CA . 51598 1 610 . 1 . 1 126 126 GLN CB C 13 28.89 0 . . . . . . . 126 GLN CB . 51598 1 611 . 1 . 1 126 126 GLN N N 15 119.95 0 . . . . . . . 126 GLN N . 51598 1 612 . 1 . 1 127 127 MET H H 1 8.3 0 . . . . . . . 127 MET H . 51598 1 613 . 1 . 1 127 127 MET C C 13 176.45 0 . . . . . . . 127 MET C . 51598 1 614 . 1 . 1 127 127 MET CA C 13 56.05 0 . . . . . . . 127 MET CA . 51598 1 615 . 1 . 1 127 127 MET CB C 13 32.56 0 . . . . . . . 127 MET CB . 51598 1 616 . 1 . 1 127 127 MET N N 15 120.28 0 . . . . . . . 127 MET N . 51598 1 617 . 1 . 1 128 128 ALA H H 1 8.2 0 . . . . . . . 128 ALA H . 51598 1 618 . 1 . 1 128 128 ALA C C 13 178.2 0 . . . . . . . 128 ALA C . 51598 1 619 . 1 . 1 128 128 ALA CA C 13 52.87 0 . . . . . . . 128 ALA CA . 51598 1 620 . 1 . 1 128 128 ALA CB C 13 18.69 0 . . . . . . . 128 ALA CB . 51598 1 621 . 1 . 1 128 128 ALA N N 15 124.23 0 . . . . . . . 128 ALA N . 51598 1 622 . 1 . 1 129 129 ILE H H 1 8.12 0 . . . . . . . 129 ILE H . 51598 1 623 . 1 . 1 129 129 ILE C C 13 176.9 0 . . . . . . . 129 ILE C . 51598 1 624 . 1 . 1 129 129 ILE CA C 13 61.65 0 . . . . . . . 129 ILE CA . 51598 1 625 . 1 . 1 129 129 ILE CB C 13 38.46 0 . . . . . . . 129 ILE CB . 51598 1 626 . 1 . 1 129 129 ILE N N 15 119.22 0 . . . . . . . 129 ILE N . 51598 1 627 . 1 . 1 130 130 SER H H 1 8.37 0 . . . . . . . 130 SER H . 51598 1 628 . 1 . 1 130 130 SER C C 13 175.24 0 . . . . . . . 130 SER C . 51598 1 629 . 1 . 1 130 130 SER CA C 13 58.69 0 . . . . . . . 130 SER CA . 51598 1 630 . 1 . 1 130 130 SER CB C 13 63.52 0 . . . . . . . 130 SER CB . 51598 1 631 . 1 . 1 130 130 SER N N 15 118.38 0 . . . . . . . 130 SER N . 51598 1 632 . 1 . 1 131 131 GLY H H 1 8.42 0 . . . . . . . 131 GLY H . 51598 1 633 . 1 . 1 131 131 GLY C C 13 174.54 0 . . . . . . . 131 GLY C . 51598 1 634 . 1 . 1 131 131 GLY CA C 13 45.44 0 . . . . . . . 131 GLY CA . 51598 1 635 . 1 . 1 131 131 GLY N N 15 110.81 0 . . . . . . . 131 GLY N . 51598 1 636 . 1 . 1 132 132 GLY H H 1 8.21 0 . . . . . . . 132 GLY H . 51598 1 637 . 1 . 1 132 132 GLY C C 13 173.55 0 . . . . . . . 132 GLY C . 51598 1 638 . 1 . 1 132 132 GLY CA C 13 45.04 0 . . . . . . . 132 GLY CA . 51598 1 639 . 1 . 1 132 132 GLY N N 15 107.9 0 . . . . . . . 132 GLY N . 51598 1 640 . 1 . 1 133 133 PHE H H 1 8.08 0 . . . . . . . 133 PHE H . 51598 1 641 . 1 . 1 133 133 PHE C C 13 175.34 0 . . . . . . . 133 PHE C . 51598 1 642 . 1 . 1 133 133 PHE CA C 13 57.67 0 . . . . . . . 133 PHE CA . 51598 1 643 . 1 . 1 133 133 PHE CB C 13 39.53 0 . . . . . . . 133 PHE CB . 51598 1 644 . 1 . 1 133 133 PHE N N 15 119.59 0 . . . . . . . 133 PHE N . 51598 1 645 . 1 . 1 134 134 ILE H H 1 8.13 0 . . . . . . . 134 ILE H . 51598 1 646 . 1 . 1 134 134 ILE C C 13 175.46 0 . . . . . . . 134 ILE C . 51598 1 647 . 1 . 1 134 134 ILE CA C 13 60.65 0 . . . . . . . 134 ILE CA . 51598 1 648 . 1 . 1 134 134 ILE CB C 13 38.57 0 . . . . . . . 134 ILE CB . 51598 1 649 . 1 . 1 134 134 ILE N N 15 123.24 0 . . . . . . . 134 ILE N . 51598 1 650 . 1 . 1 135 135 ARG H H 1 8.41 0 . . . . . . . 135 ARG H . 51598 1 651 . 1 . 1 135 135 ARG C C 13 175.76 0 . . . . . . . 135 ARG C . 51598 1 652 . 1 . 1 135 135 ARG CA C 13 55.85 0 . . . . . . . 135 ARG CA . 51598 1 653 . 1 . 1 135 135 ARG CB C 13 30.55 0 . . . . . . . 135 ARG CB . 51598 1 654 . 1 . 1 135 135 ARG N N 15 125.87 0 . . . . . . . 135 ARG N . 51598 1 655 . 1 . 1 136 136 ARG H H 1 8.51 0 . . . . . . . 136 ARG H . 51598 1 656 . 1 . 1 136 136 ARG C C 13 176.11 0 . . . . . . . 136 ARG C . 51598 1 657 . 1 . 1 136 136 ARG CA C 13 55.91 0 . . . . . . . 136 ARG CA . 51598 1 658 . 1 . 1 136 136 ARG CB C 13 30.68 0 . . . . . . . 136 ARG CB . 51598 1 659 . 1 . 1 136 136 ARG N N 15 123.86 0 . . . . . . . 136 ARG N . 51598 1 660 . 1 . 1 137 137 VAL H H 1 8.42 0 . . . . . . . 137 VAL H . 51598 1 661 . 1 . 1 137 137 VAL C C 13 176.27 0 . . . . . . . 137 VAL C . 51598 1 662 . 1 . 1 137 137 VAL CA C 13 62.26 0 . . . . . . . 137 VAL CA . 51598 1 663 . 1 . 1 137 137 VAL CB C 13 32.56 0 . . . . . . . 137 VAL CB . 51598 1 664 . 1 . 1 137 137 VAL N N 15 122.1 0 . . . . . . . 137 VAL N . 51598 1 665 . 1 . 1 138 138 THR H H 1 8.3 0 . . . . . . . 138 THR H . 51598 1 666 . 1 . 1 138 138 THR C C 13 174.14 0 . . . . . . . 138 THR C . 51598 1 667 . 1 . 1 138 138 THR CA C 13 61.4 0 . . . . . . . 138 THR CA . 51598 1 668 . 1 . 1 138 138 THR CB C 13 69.74 0 . . . . . . . 138 THR CB . 51598 1 669 . 1 . 1 138 138 THR N N 15 117.46 0 . . . . . . . 138 THR N . 51598 1 670 . 1 . 1 139 139 ASN H H 1 8.57 0 . . . . . . . 139 ASN H . 51598 1 671 . 1 . 1 139 139 ASN C C 13 174.79 0 . . . . . . . 139 ASN C . 51598 1 672 . 1 . 1 139 139 ASN CA C 13 53.24 0 . . . . . . . 139 ASN CA . 51598 1 673 . 1 . 1 139 139 ASN CB C 13 38.63 0 . . . . . . . 139 ASN CB . 51598 1 674 . 1 . 1 139 139 ASN N N 15 120.8 0 . . . . . . . 139 ASN N . 51598 1 675 . 1 . 1 140 140 ASP H H 1 8.37 0 . . . . . . . 140 ASP H . 51598 1 676 . 1 . 1 140 140 ASP C C 13 175.9 0 . . . . . . . 140 ASP C . 51598 1 677 . 1 . 1 140 140 ASP CA C 13 54.36 0 . . . . . . . 140 ASP CA . 51598 1 678 . 1 . 1 140 140 ASP CB C 13 40.89 0 . . . . . . . 140 ASP CB . 51598 1 679 . 1 . 1 140 140 ASP N N 15 120.65 0 . . . . . . . 140 ASP N . 51598 1 680 . 1 . 1 141 141 ALA H H 1 8.28 0 . . . . . . . 141 ALA H . 51598 1 681 . 1 . 1 141 141 ALA C C 13 177.86 0 . . . . . . . 141 ALA C . 51598 1 682 . 1 . 1 141 141 ALA CA C 13 52.75 0 . . . . . . . 141 ALA CA . 51598 1 683 . 1 . 1 141 141 ALA CB C 13 18.78 0 . . . . . . . 141 ALA CB . 51598 1 684 . 1 . 1 141 141 ALA N N 15 124.33 0 . . . . . . . 141 ALA N . 51598 1 685 . 1 . 1 142 142 ARG H H 1 8.35 0 . . . . . . . 142 ARG H . 51598 1 686 . 1 . 1 142 142 ARG C C 13 176.74 0 . . . . . . . 142 ARG C . 51598 1 687 . 1 . 1 142 142 ARG CA C 13 56.22 0 . . . . . . . 142 ARG CA . 51598 1 688 . 1 . 1 142 142 ARG CB C 13 30.32 0 . . . . . . . 142 ARG CB . 51598 1 689 . 1 . 1 142 142 ARG N N 15 119.63 0 . . . . . . . 142 ARG N . 51598 1 690 . 1 . 1 143 143 GLU H H 1 8.49 0 . . . . . . . 143 GLU H . 51598 1 691 . 1 . 1 143 143 GLU C C 13 176.41 0 . . . . . . . 143 GLU C . 51598 1 692 . 1 . 1 143 143 GLU CA C 13 57.05 0 . . . . . . . 143 GLU CA . 51598 1 693 . 1 . 1 143 143 GLU CB C 13 29.82 0 . . . . . . . 143 GLU CB . 51598 1 694 . 1 . 1 143 143 GLU N N 15 121.02 0 . . . . . . . 143 GLU N . 51598 1 695 . 1 . 1 144 144 ASN H H 1 8.45 0 . . . . . . . 144 ASN H . 51598 1 696 . 1 . 1 144 144 ASN C C 13 175.2 0 . . . . . . . 144 ASN C . 51598 1 697 . 1 . 1 144 144 ASN CA C 13 53.37 0 . . . . . . . 144 ASN CA . 51598 1 698 . 1 . 1 144 144 ASN CB C 13 38.63 0 . . . . . . . 144 ASN CB . 51598 1 699 . 1 . 1 144 144 ASN N N 15 118.26 0 . . . . . . . 144 ASN N . 51598 1 700 . 1 . 1 145 145 GLU H H 1 8.38 0 . . . . . . . 145 GLU H . 51598 1 701 . 1 . 1 145 145 GLU C C 13 176.49 0 . . . . . . . 145 GLU C . 51598 1 702 . 1 . 1 145 145 GLU CA C 13 56.8 0 . . . . . . . 145 GLU CA . 51598 1 703 . 1 . 1 145 145 GLU CB C 13 29.78 0 . . . . . . . 145 GLU CB . 51598 1 704 . 1 . 1 145 145 GLU N N 15 120.82 0 . . . . . . . 145 GLU N . 51598 1 705 . 1 . 1 146 146 MET H H 1 8.38 0 . . . . . . . 146 MET H . 51598 1 706 . 1 . 1 146 146 MET C C 13 175.94 0 . . . . . . . 146 MET C . 51598 1 707 . 1 . 1 146 146 MET CA C 13 55.45 0 . . . . . . . 146 MET CA . 51598 1 708 . 1 . 1 146 146 MET CB C 13 32.64 0 . . . . . . . 146 MET CB . 51598 1 709 . 1 . 1 146 146 MET N N 15 120.22 0 . . . . . . . 146 MET N . 51598 1 710 . 1 . 1 147 147 ASP H H 1 8.34 0 . . . . . . . 147 ASP H . 51598 1 711 . 1 . 1 147 147 ASP C C 13 176.46 0 . . . . . . . 147 ASP C . 51598 1 712 . 1 . 1 147 147 ASP CA C 13 54.4 0 . . . . . . . 147 ASP CA . 51598 1 713 . 1 . 1 147 147 ASP CB C 13 40.92 0 . . . . . . . 147 ASP CB . 51598 1 714 . 1 . 1 147 147 ASP N N 15 121.6 0 . . . . . . . 147 ASP N . 51598 1 715 . 1 . 1 148 148 GLU H H 1 8.53 0 . . . . . . . 148 GLU H . 51598 1 716 . 1 . 1 148 148 GLU C C 13 176.29 0 . . . . . . . 148 GLU C . 51598 1 717 . 1 . 1 148 148 GLU CA C 13 57.01 0 . . . . . . . 148 GLU CA . 51598 1 718 . 1 . 1 148 148 GLU CB C 13 29.84 0 . . . . . . . 148 GLU CB . 51598 1 719 . 1 . 1 148 148 GLU N N 15 121.58 0 . . . . . . . 148 GLU N . 51598 1 720 . 1 . 1 149 149 ASN H H 1 8.58 0 . . . . . . . 149 ASN H . 51598 1 721 . 1 . 1 149 149 ASN C C 13 175.35 0 . . . . . . . 149 ASN C . 51598 1 722 . 1 . 1 149 149 ASN CA C 13 53.36 0 . . . . . . . 149 ASN CA . 51598 1 723 . 1 . 1 149 149 ASN CB C 13 38.46 0 . . . . . . . 149 ASN CB . 51598 1 724 . 1 . 1 149 149 ASN N N 15 119.01 0 . . . . . . . 149 ASN N . 51598 1 725 . 1 . 1 150 150 LEU H H 1 8.19 0 . . . . . . . 150 LEU H . 51598 1 726 . 1 . 1 150 150 LEU C C 13 177.67 0 . . . . . . . 150 LEU C . 51598 1 727 . 1 . 1 150 150 LEU CA C 13 55.49 0 . . . . . . . 150 LEU CA . 51598 1 728 . 1 . 1 150 150 LEU CB C 13 41.9 0 . . . . . . . 150 LEU CB . 51598 1 729 . 1 . 1 150 150 LEU N N 15 122.14 0 . . . . . . . 150 LEU N . 51598 1 730 . 1 . 1 151 151 GLU H H 1 8.39 0 . . . . . . . 151 GLU H . 51598 1 731 . 1 . 1 151 151 GLU C C 13 176.65 0 . . . . . . . 151 GLU C . 51598 1 732 . 1 . 1 151 151 GLU CA C 13 56.89 0 . . . . . . . 151 GLU CA . 51598 1 733 . 1 . 1 151 151 GLU CB C 13 29.84 0 . . . . . . . 151 GLU CB . 51598 1 734 . 1 . 1 151 151 GLU N N 15 120.76 0 . . . . . . . 151 GLU N . 51598 1 735 . 1 . 1 152 152 GLN H H 1 8.35 0 . . . . . . . 152 GLN H . 51598 1 736 . 1 . 1 152 152 GLN C C 13 176.2 0 . . . . . . . 152 GLN C . 51598 1 737 . 1 . 1 152 152 GLN CA C 13 55.94 0 . . . . . . . 152 GLN CA . 51598 1 738 . 1 . 1 152 152 GLN CB C 13 29.01 0 . . . . . . . 152 GLN CB . 51598 1 739 . 1 . 1 152 152 GLN N N 15 120.75 0 . . . . . . . 152 GLN N . 51598 1 740 . 1 . 1 153 153 VAL H H 1 8.22 0 . . . . . . . 153 VAL H . 51598 1 741 . 1 . 1 153 153 VAL C C 13 176.36 0 . . . . . . . 153 VAL C . 51598 1 742 . 1 . 1 153 153 VAL CA C 13 62.51 0 . . . . . . . 153 VAL CA . 51598 1 743 . 1 . 1 153 153 VAL CB C 13 32.33 0 . . . . . . . 153 VAL CB . 51598 1 744 . 1 . 1 153 153 VAL N N 15 120.75 0 . . . . . . . 153 VAL N . 51598 1 745 . 1 . 1 154 154 SER H H 1 8.45 0 . . . . . . . 154 SER H . 51598 1 746 . 1 . 1 154 154 SER C C 13 175.09 0 . . . . . . . 154 SER C . 51598 1 747 . 1 . 1 154 154 SER CA C 13 58.61 0 . . . . . . . 154 SER CA . 51598 1 748 . 1 . 1 154 154 SER CB C 13 63.66 0 . . . . . . . 154 SER CB . 51598 1 749 . 1 . 1 154 154 SER N N 15 118.56 0 . . . . . . . 154 SER N . 51598 1 750 . 1 . 1 155 155 GLY H H 1 8.44 0 . . . . . . . 155 GLY H . 51598 1 751 . 1 . 1 155 155 GLY C C 13 173.95 0 . . . . . . . 155 GLY C . 51598 1 752 . 1 . 1 155 155 GLY CA C 13 45.28 0 . . . . . . . 155 GLY CA . 51598 1 753 . 1 . 1 155 155 GLY N N 15 110.74 0 . . . . . . . 155 GLY N . 51598 1 754 . 1 . 1 156 156 ILE H H 1 8.0 0 . . . . . . . 156 ILE H . 51598 1 755 . 1 . 1 156 156 ILE C C 13 176.51 0 . . . . . . . 156 ILE C . 51598 1 756 . 1 . 1 156 156 ILE CA C 13 61.27 0 . . . . . . . 156 ILE CA . 51598 1 757 . 1 . 1 156 156 ILE CB C 13 38.29 0 . . . . . . . 156 ILE CB . 51598 1 758 . 1 . 1 156 156 ILE N N 15 119.96 0 . . . . . . . 156 ILE N . 51598 1 759 . 1 . 1 157 157 ILE H H 1 8.26 0 . . . . . . . 157 ILE H . 51598 1 760 . 1 . 1 157 157 ILE C C 13 176.88 0 . . . . . . . 157 ILE C . 51598 1 761 . 1 . 1 157 157 ILE CA C 13 61.4 0 . . . . . . . 157 ILE CA . 51598 1 762 . 1 . 1 157 157 ILE CB C 13 38.13 0 . . . . . . . 157 ILE CB . 51598 1 763 . 1 . 1 157 157 ILE N N 15 124.79 0 . . . . . . . 157 ILE N . 51598 1 764 . 1 . 1 158 158 GLY H H 1 8.49 0 . . . . . . . 158 GLY H . 51598 1 765 . 1 . 1 158 158 GLY C C 13 173.93 0 . . . . . . . 158 GLY C . 51598 1 766 . 1 . 1 158 158 GLY CA C 13 45.32 0 . . . . . . . 158 GLY CA . 51598 1 767 . 1 . 1 158 158 GLY N N 15 112.33 0 . . . . . . . 158 GLY N . 51598 1 768 . 1 . 1 159 159 ASN H H 1 8.33 0 . . . . . . . 159 ASN H . 51598 1 769 . 1 . 1 159 159 ASN C C 13 175.42 0 . . . . . . . 159 ASN C . 51598 1 770 . 1 . 1 159 159 ASN CA C 13 53.21 0 . . . . . . . 159 ASN CA . 51598 1 771 . 1 . 1 159 159 ASN CB C 13 38.58 0 . . . . . . . 159 ASN CB . 51598 1 772 . 1 . 1 159 159 ASN N N 15 118.56 0 . . . . . . . 159 ASN N . 51598 1 773 . 1 . 1 160 160 LEU H H 1 8.25 0 . . . . . . . 160 LEU H . 51598 1 774 . 1 . 1 160 160 LEU C C 13 177.53 0 . . . . . . . 160 LEU C . 51598 1 775 . 1 . 1 160 160 LEU CA C 13 55.54 0 . . . . . . . 160 LEU CA . 51598 1 776 . 1 . 1 160 160 LEU CB C 13 41.84 0 . . . . . . . 160 LEU CB . 51598 1 777 . 1 . 1 160 160 LEU N N 15 121.93 0 . . . . . . . 160 LEU N . 51598 1 778 . 1 . 1 161 161 ARG H H 1 8.28 0 . . . . . . . 161 ARG H . 51598 1 779 . 1 . 1 161 161 ARG C C 13 176.2 0 . . . . . . . 161 ARG C . 51598 1 780 . 1 . 1 161 161 ARG CA C 13 56.3 0 . . . . . . . 161 ARG CA . 51598 1 781 . 1 . 1 161 161 ARG CB C 13 30.12 0 . . . . . . . 161 ARG CB . 51598 1 782 . 1 . 1 161 161 ARG N N 15 120.54 0 . . . . . . . 161 ARG N . 51598 1 783 . 1 . 1 162 162 HIS H H 1 8.43 0 . . . . . . . 162 HIS H . 51598 1 784 . 1 . 1 162 162 HIS C C 13 174.8 0 . . . . . . . 162 HIS C . 51598 1 785 . 1 . 1 162 162 HIS CA C 13 55.77 0 . . . . . . . 162 HIS CA . 51598 1 786 . 1 . 1 162 162 HIS CB C 13 29.22 0 . . . . . . . 162 HIS CB . 51598 1 787 . 1 . 1 162 162 HIS N N 15 119.38 0 . . . . . . . 162 HIS N . 51598 1 788 . 1 . 1 163 163 MET H H 1 8.34 0 . . . . . . . 163 MET H . 51598 1 789 . 1 . 1 163 163 MET C C 13 175.72 0 . . . . . . . 163 MET C . 51598 1 790 . 1 . 1 163 163 MET CA C 13 55.46 0 . . . . . . . 163 MET CA . 51598 1 791 . 1 . 1 163 163 MET CB C 13 32.6 0 . . . . . . . 163 MET CB . 51598 1 792 . 1 . 1 163 163 MET N N 15 121.58 0 . . . . . . . 163 MET N . 51598 1 793 . 1 . 1 164 164 ALA H H 1 8.35 0 . . . . . . . 164 ALA H . 51598 1 794 . 1 . 1 164 164 ALA C C 13 177.59 0 . . . . . . . 164 ALA C . 51598 1 795 . 1 . 1 164 164 ALA CA C 13 52.46 0 . . . . . . . 164 ALA CA . 51598 1 796 . 1 . 1 164 164 ALA CB C 13 18.9 0 . . . . . . . 164 ALA CB . 51598 1 797 . 1 . 1 164 164 ALA N N 15 124.86 0 . . . . . . . 164 ALA N . 51598 1 798 . 1 . 1 165 165 LEU H H 1 8.24 0 . . . . . . . 165 LEU H . 51598 1 799 . 1 . 1 165 165 LEU C C 13 177.06 0 . . . . . . . 165 LEU C . 51598 1 800 . 1 . 1 165 165 LEU CA C 13 55.14 0 . . . . . . . 165 LEU CA . 51598 1 801 . 1 . 1 165 165 LEU CB C 13 42.19 0 . . . . . . . 165 LEU CB . 51598 1 802 . 1 . 1 165 165 LEU N N 15 121.02 0 . . . . . . . 165 LEU N . 51598 1 803 . 1 . 1 166 166 ASP H H 1 8.35 0 . . . . . . . 166 ASP H . 51598 1 804 . 1 . 1 166 166 ASP C C 13 176.34 0 . . . . . . . 166 ASP C . 51598 1 805 . 1 . 1 166 166 ASP CA C 13 54.12 0 . . . . . . . 166 ASP CA . 51598 1 806 . 1 . 1 166 166 ASP CB C 13 40.81 0 . . . . . . . 166 ASP CB . 51598 1 807 . 1 . 1 166 166 ASP N N 15 120.53 0 . . . . . . . 166 ASP N . 51598 1 808 . 1 . 1 167 167 MET H H 1 8.4 0 . . . . . . . 167 MET H . 51598 1 809 . 1 . 1 167 167 MET C C 13 177.0 0 . . . . . . . 167 MET C . 51598 1 810 . 1 . 1 167 167 MET CA C 13 55.48 0 . . . . . . . 167 MET CA . 51598 1 811 . 1 . 1 167 167 MET CB C 13 32.14 0 . . . . . . . 167 MET CB . 51598 1 812 . 1 . 1 167 167 MET N N 15 120.87 0 . . . . . . . 167 MET N . 51598 1 813 . 1 . 1 168 168 GLY H H 1 8.55 0 . . . . . . . 168 GLY H . 51598 1 814 . 1 . 1 168 168 GLY C C 13 174.0 0 . . . . . . . 168 GLY C . 51598 1 815 . 1 . 1 168 168 GLY CA C 13 45.45 0 . . . . . . . 168 GLY CA . 51598 1 816 . 1 . 1 168 168 GLY N N 15 109.17 0 . . . . . . . 168 GLY N . 51598 1 817 . 1 . 1 169 169 ASN H H 1 8.35 0 . . . . . . . 169 ASN H . 51598 1 818 . 1 . 1 169 169 ASN C C 13 175.33 0 . . . . . . . 169 ASN C . 51598 1 819 . 1 . 1 169 169 ASN CA C 13 53.13 0 . . . . . . . 169 ASN CA . 51598 1 820 . 1 . 1 169 169 ASN CB C 13 38.8 0 . . . . . . . 169 ASN CB . 51598 1 821 . 1 . 1 169 169 ASN N N 15 118.29 0 . . . . . . . 169 ASN N . 51598 1 822 . 1 . 1 170 170 GLU H H 1 8.56 0 . . . . . . . 170 GLU H . 51598 1 823 . 1 . 1 170 170 GLU C C 13 176.62 0 . . . . . . . 170 GLU C . 51598 1 824 . 1 . 1 170 170 GLU CA C 13 56.96 0 . . . . . . . 170 GLU CA . 51598 1 825 . 1 . 1 170 170 GLU CB C 13 29.68 0 . . . . . . . 170 GLU CB . 51598 1 826 . 1 . 1 170 170 GLU N N 15 121.12 0 . . . . . . . 170 GLU N . 51598 1 827 . 1 . 1 171 171 ILE H H 1 8.2 0 . . . . . . . 171 ILE H . 51598 1 828 . 1 . 1 171 171 ILE C C 13 176.13 0 . . . . . . . 171 ILE C . 51598 1 829 . 1 . 1 171 171 ILE CA C 13 61.4 0 . . . . . . . 171 ILE CA . 51598 1 830 . 1 . 1 171 171 ILE CB C 13 38.45 0 . . . . . . . 171 ILE CB . 51598 1 831 . 1 . 1 171 171 ILE N N 15 121.05 0 . . . . . . . 171 ILE N . 51598 1 832 . 1 . 1 172 172 ASP H H 1 8.45 0 . . . . . . . 172 ASP H . 51598 1 833 . 1 . 1 172 172 ASP C C 13 176.97 0 . . . . . . . 172 ASP C . 51598 1 834 . 1 . 1 172 172 ASP CA C 13 54.4 0 . . . . . . . 172 ASP CA . 51598 1 835 . 1 . 1 172 172 ASP CB C 13 40.89 0 . . . . . . . 172 ASP CB . 51598 1 836 . 1 . 1 172 172 ASP N N 15 123.68 0 . . . . . . . 172 ASP N . 51598 1 837 . 1 . 1 173 173 THR H H 1 8.18 0 . . . . . . . 173 THR H . 51598 1 838 . 1 . 1 173 173 THR C C 13 175.32 0 . . . . . . . 173 THR C . 51598 1 839 . 1 . 1 173 173 THR CA C 13 62.63 0 . . . . . . . 173 THR CA . 51598 1 840 . 1 . 1 173 173 THR CB C 13 69.13 0 . . . . . . . 173 THR CB . 51598 1 841 . 1 . 1 173 173 THR N N 15 114.46 0 . . . . . . . 173 THR N . 51598 1 842 . 1 . 1 174 174 GLN H H 1 8.39 0 . . . . . . . 174 GLN H . 51598 1 843 . 1 . 1 174 174 GLN C C 13 176.1 0 . . . . . . . 174 GLN C . 51598 1 844 . 1 . 1 174 174 GLN CA C 13 56.54 0 . . . . . . . 174 GLN CA . 51598 1 845 . 1 . 1 174 174 GLN CB C 13 28.79 0 . . . . . . . 174 GLN CB . 51598 1 846 . 1 . 1 174 174 GLN N N 15 121.29 0 . . . . . . . 174 GLN N . 51598 1 847 . 1 . 1 175 175 ASN H H 1 8.39 0 . . . . . . . 175 ASN H . 51598 1 848 . 1 . 1 175 175 ASN C C 13 175.24 0 . . . . . . . 175 ASN C . 51598 1 849 . 1 . 1 175 175 ASN CA C 13 53.49 0 . . . . . . . 175 ASN CA . 51598 1 850 . 1 . 1 175 175 ASN CB C 13 38.31 0 . . . . . . . 175 ASN CB . 51598 1 851 . 1 . 1 175 175 ASN N N 15 118.51 0 . . . . . . . 175 ASN N . 51598 1 852 . 1 . 1 176 176 ARG H H 1 8.27 0 . . . . . . . 176 ARG H . 51598 1 853 . 1 . 1 176 176 ARG C C 13 176.34 0 . . . . . . . 176 ARG C . 51598 1 854 . 1 . 1 176 176 ARG CA C 13 56.26 0 . . . . . . . 176 ARG CA . 51598 1 855 . 1 . 1 176 176 ARG CB C 13 30.39 0 . . . . . . . 176 ARG CB . 51598 1 856 . 1 . 1 176 176 ARG N N 15 121.0 0 . . . . . . . 176 ARG N . 51598 1 857 . 1 . 1 177 177 GLN H H 1 8.46 0 . . . . . . . 177 GLN H . 51598 1 858 . 1 . 1 177 177 GLN C C 13 176.2 0 . . . . . . . 177 GLN C . 51598 1 859 . 1 . 1 177 177 GLN CA C 13 56.1 0 . . . . . . . 177 GLN CA . 51598 1 860 . 1 . 1 177 177 GLN CB C 13 28.76 0 . . . . . . . 177 GLN CB . 51598 1 861 . 1 . 1 177 177 GLN N N 15 121.38 0 . . . . . . . 177 GLN N . 51598 1 862 . 1 . 1 178 178 ILE H H 1 8.18 0 . . . . . . . 178 ILE H . 51598 1 863 . 1 . 1 178 178 ILE C C 13 175.9 0 . . . . . . . 178 ILE C . 51598 1 864 . 1 . 1 178 178 ILE CA C 13 61.38 0 . . . . . . . 178 ILE CA . 51598 1 865 . 1 . 1 178 178 ILE CB C 13 38.52 0 . . . . . . . 178 ILE CB . 51598 1 866 . 1 . 1 178 178 ILE N N 15 121.55 0 . . . . . . . 178 ILE N . 51598 1 867 . 1 . 1 179 179 ASP H H 1 8.38 0 . . . . . . . 179 ASP H . 51598 1 868 . 1 . 1 179 179 ASP C C 13 176.13 0 . . . . . . . 179 ASP C . 51598 1 869 . 1 . 1 179 179 ASP CA C 13 54.5 0 . . . . . . . 179 ASP CA . 51598 1 870 . 1 . 1 179 179 ASP CB C 13 40.75 0 . . . . . . . 179 ASP CB . 51598 1 871 . 1 . 1 179 179 ASP N N 15 123.52 0 . . . . . . . 179 ASP N . 51598 1 872 . 1 . 1 180 180 ARG H H 1 8.2 0 . . . . . . . 180 ARG H . 51598 1 873 . 1 . 1 180 180 ARG C C 13 176.38 0 . . . . . . . 180 ARG C . 51598 1 874 . 1 . 1 180 180 ARG CA C 13 56.18 0 . . . . . . . 180 ARG CA . 51598 1 875 . 1 . 1 180 180 ARG CB C 13 30.43 0 . . . . . . . 180 ARG CB . 51598 1 876 . 1 . 1 180 180 ARG N N 15 121.09 0 . . . . . . . 180 ARG N . 51598 1 877 . 1 . 1 181 181 ILE H H 1 8.23 0 . . . . . . . 181 ILE H . 51598 1 878 . 1 . 1 181 181 ILE C C 13 176.59 0 . . . . . . . 181 ILE C . 51598 1 879 . 1 . 1 181 181 ILE CA C 13 61.57 0 . . . . . . . 181 ILE CA . 51598 1 880 . 1 . 1 181 181 ILE CB C 13 37.94 0 . . . . . . . 181 ILE CB . 51598 1 881 . 1 . 1 181 181 ILE N N 15 122.13 0 . . . . . . . 181 ILE N . 51598 1 882 . 1 . 1 182 182 MET H H 1 8.46 0 . . . . . . . 182 MET H . 51598 1 883 . 1 . 1 182 182 MET C C 13 176.28 0 . . . . . . . 182 MET C . 51598 1 884 . 1 . 1 182 182 MET CA C 13 55.32 0 . . . . . . . 182 MET CA . 51598 1 885 . 1 . 1 182 182 MET CB C 13 32.31 0 . . . . . . . 182 MET CB . 51598 1 886 . 1 . 1 182 182 MET N N 15 123.91 0 . . . . . . . 182 MET N . 51598 1 887 . 1 . 1 183 183 GLU H H 1 8.4 0 . . . . . . . 183 GLU H . 51598 1 888 . 1 . 1 183 183 GLU C C 13 176.49 0 . . . . . . . 183 GLU C . 51598 1 889 . 1 . 1 183 183 GLU CA C 13 56.67 0 . . . . . . . 183 GLU CA . 51598 1 890 . 1 . 1 183 183 GLU CB C 13 29.94 0 . . . . . . . 183 GLU CB . 51598 1 891 . 1 . 1 183 183 GLU N N 15 122.33 0 . . . . . . . 183 GLU N . 51598 1 892 . 1 . 1 184 184 LYS H H 1 8.4 0 . . . . . . . 184 LYS H . 51598 1 893 . 1 . 1 184 184 LYS C C 13 176.51 0 . . . . . . . 184 LYS C . 51598 1 894 . 1 . 1 184 184 LYS CA C 13 56.29 0 . . . . . . . 184 LYS CA . 51598 1 895 . 1 . 1 184 184 LYS CB C 13 32.66 0 . . . . . . . 184 LYS CB . 51598 1 896 . 1 . 1 184 184 LYS N N 15 122.46 0 . . . . . . . 184 LYS N . 51598 1 897 . 1 . 1 185 185 ALA H H 1 8.42 0 . . . . . . . 185 ALA H . 51598 1 898 . 1 . 1 185 185 ALA C C 13 177.67 0 . . . . . . . 185 ALA C . 51598 1 899 . 1 . 1 185 185 ALA CA C 13 52.7 0 . . . . . . . 185 ALA CA . 51598 1 900 . 1 . 1 185 185 ALA CB C 13 18.88 0 . . . . . . . 185 ALA CB . 51598 1 901 . 1 . 1 185 185 ALA N N 15 125.22 0 . . . . . . . 185 ALA N . 51598 1 902 . 1 . 1 186 186 ASP H H 1 8.41 0 . . . . . . . 186 ASP H . 51598 1 903 . 1 . 1 186 186 ASP C C 13 176.75 0 . . . . . . . 186 ASP C . 51598 1 904 . 1 . 1 186 186 ASP CA C 13 54.23 0 . . . . . . . 186 ASP CA . 51598 1 905 . 1 . 1 186 186 ASP CB C 13 40.89 0 . . . . . . . 186 ASP CB . 51598 1 906 . 1 . 1 186 186 ASP N N 15 119.38 0 . . . . . . . 186 ASP N . 51598 1 907 . 1 . 1 187 187 SER H H 1 8.34 0 . . . . . . . 187 SER H . 51598 1 908 . 1 . 1 187 187 SER C C 13 174.79 0 . . . . . . . 187 SER C . 51598 1 909 . 1 . 1 187 187 SER CA C 13 59.09 0 . . . . . . . 187 SER CA . 51598 1 910 . 1 . 1 187 187 SER CB C 13 63.39 0 . . . . . . . 187 SER CB . 51598 1 911 . 1 . 1 187 187 SER N N 15 116.66 0 . . . . . . . 187 SER N . 51598 1 912 . 1 . 1 188 188 ASN H H 1 8.52 0 . . . . . . . 188 ASN H . 51598 1 913 . 1 . 1 188 188 ASN C C 13 175.55 0 . . . . . . . 188 ASN C . 51598 1 914 . 1 . 1 188 188 ASN CA C 13 53.78 0 . . . . . . . 188 ASN CA . 51598 1 915 . 1 . 1 188 188 ASN CB C 13 38.42 0 . . . . . . . 188 ASN CB . 51598 1 916 . 1 . 1 188 188 ASN N N 15 120.23 0 . . . . . . . 188 ASN N . 51598 1 917 . 1 . 1 189 189 LYS H H 1 8.17 0 . . . . . . . 189 LYS H . 51598 1 918 . 1 . 1 189 189 LYS C C 13 177.02 0 . . . . . . . 189 LYS C . 51598 1 919 . 1 . 1 189 189 LYS CA C 13 57.0 0 . . . . . . . 189 LYS CA . 51598 1 920 . 1 . 1 189 189 LYS CB C 13 32.59 0 . . . . . . . 189 LYS CB . 51598 1 921 . 1 . 1 189 189 LYS N N 15 121.06 0 . . . . . . . 189 LYS N . 51598 1 922 . 1 . 1 190 190 THR H H 1 8.18 0 . . . . . . . 190 THR H . 51598 1 923 . 1 . 1 190 190 THR C C 13 174.72 0 . . . . . . . 190 THR C . 51598 1 924 . 1 . 1 190 190 THR CA C 13 62.86 0 . . . . . . . 190 THR CA . 51598 1 925 . 1 . 1 190 190 THR CB C 13 69.32 0 . . . . . . . 190 THR CB . 51598 1 926 . 1 . 1 190 190 THR N N 15 114.9 0 . . . . . . . 190 THR N . 51598 1 927 . 1 . 1 191 191 ARG H H 1 8.3 0 . . . . . . . 191 ARG H . 51598 1 928 . 1 . 1 191 191 ARG C C 13 176.89 0 . . . . . . . 191 ARG C . 51598 1 929 . 1 . 1 191 191 ARG CA C 13 56.73 0 . . . . . . . 191 ARG CA . 51598 1 930 . 1 . 1 191 191 ARG CB C 13 30.37 0 . . . . . . . 191 ARG CB . 51598 1 931 . 1 . 1 191 191 ARG N N 15 123.34 0 . . . . . . . 191 ARG N . 51598 1 932 . 1 . 1 192 192 ILE H H 1 8.26 0 . . . . . . . 192 ILE H . 51598 1 933 . 1 . 1 192 192 ILE C C 13 176.33 0 . . . . . . . 192 ILE C . 51598 1 934 . 1 . 1 192 192 ILE CA C 13 61.79 0 . . . . . . . 192 ILE CA . 51598 1 935 . 1 . 1 192 192 ILE CB C 13 38.32 0 . . . . . . . 192 ILE CB . 51598 1 936 . 1 . 1 192 192 ILE N N 15 122.43 0 . . . . . . . 192 ILE N . 51598 1 937 . 1 . 1 193 193 ASP H H 1 8.47 0 . . . . . . . 193 ASP H . 51598 1 938 . 1 . 1 193 193 ASP C C 13 177.05 0 . . . . . . . 193 ASP C . 51598 1 939 . 1 . 1 193 193 ASP CA C 13 54.74 0 . . . . . . . 193 ASP CA . 51598 1 940 . 1 . 1 193 193 ASP CB C 13 40.73 0 . . . . . . . 193 ASP CB . 51598 1 941 . 1 . 1 193 193 ASP N N 15 123.51 0 . . . . . . . 193 ASP N . 51598 1 942 . 1 . 1 194 194 GLU H H 1 8.4 0 . . . . . . . 194 GLU H . 51598 1 943 . 1 . 1 194 194 GLU C C 13 177.36 0 . . . . . . . 194 GLU C . 51598 1 944 . 1 . 1 194 194 GLU CA C 13 57.75 0 . . . . . . . 194 GLU CA . 51598 1 945 . 1 . 1 194 194 GLU CB C 13 29.63 0 . . . . . . . 194 GLU CB . 51598 1 946 . 1 . 1 194 194 GLU N N 15 121.61 0 . . . . . . . 194 GLU N . 51598 1 947 . 1 . 1 195 195 ALA H H 1 8.3 0 . . . . . . . 195 ALA H . 51598 1 948 . 1 . 1 195 195 ALA C C 13 178.75 0 . . . . . . . 195 ALA C . 51598 1 949 . 1 . 1 195 195 ALA CA C 13 53.68 0 . . . . . . . 195 ALA CA . 51598 1 950 . 1 . 1 195 195 ALA CB C 13 18.34 0 . . . . . . . 195 ALA CB . 51598 1 951 . 1 . 1 195 195 ALA N N 15 123.06 0 . . . . . . . 195 ALA N . 51598 1 952 . 1 . 1 196 196 ASN H H 1 8.29 0 . . . . . . . 196 ASN H . 51598 1 953 . 1 . 1 196 196 ASN C C 13 176.05 0 . . . . . . . 196 ASN C . 51598 1 954 . 1 . 1 196 196 ASN CA C 13 53.86 0 . . . . . . . 196 ASN CA . 51598 1 955 . 1 . 1 196 196 ASN CB C 13 38.34 0 . . . . . . . 196 ASN CB . 51598 1 956 . 1 . 1 196 196 ASN N N 15 116.79 0 . . . . . . . 196 ASN N . 51598 1 957 . 1 . 1 197 197 GLN H H 1 8.23 0 . . . . . . . 197 GLN H . 51598 1 958 . 1 . 1 197 197 GLN C C 13 176.67 0 . . . . . . . 197 GLN C . 51598 1 959 . 1 . 1 197 197 GLN CA C 13 56.74 0 . . . . . . . 197 GLN CA . 51598 1 960 . 1 . 1 197 197 GLN CB C 13 28.73 0 . . . . . . . 197 GLN CB . 51598 1 961 . 1 . 1 197 197 GLN N N 15 120.01 0 . . . . . . . 197 GLN N . 51598 1 962 . 1 . 1 198 198 ARG H H 1 8.23 0 . . . . . . . 198 ARG H . 51598 1 963 . 1 . 1 198 198 ARG C C 13 176.62 0 . . . . . . . 198 ARG C . 51598 1 964 . 1 . 1 198 198 ARG CA C 13 56.81 0 . . . . . . . 198 ARG CA . 51598 1 965 . 1 . 1 198 198 ARG CB C 13 30.29 0 . . . . . . . 198 ARG CB . 51598 1 966 . 1 . 1 198 198 ARG N N 15 120.67 0 . . . . . . . 198 ARG N . 51598 1 967 . 1 . 1 199 199 ALA H H 1 8.22 0 . . . . . . . 199 ALA H . 51598 1 968 . 1 . 1 199 199 ALA C C 13 178.33 0 . . . . . . . 199 ALA C . 51598 1 969 . 1 . 1 199 199 ALA CA C 13 52.99 0 . . . . . . . 199 ALA CA . 51598 1 970 . 1 . 1 199 199 ALA CB C 13 18.76 0 . . . . . . . 199 ALA CB . 51598 1 971 . 1 . 1 199 199 ALA N N 15 123.7 0 . . . . . . . 199 ALA N . 51598 1 972 . 1 . 1 200 200 THR H H 1 8.1 0 . . . . . . . 200 THR H . 51598 1 973 . 1 . 1 200 200 THR C C 13 174.79 0 . . . . . . . 200 THR C . 51598 1 974 . 1 . 1 200 200 THR CA C 13 62.48 0 . . . . . . . 200 THR CA . 51598 1 975 . 1 . 1 200 200 THR CB C 13 69.55 0 . . . . . . . 200 THR CB . 51598 1 976 . 1 . 1 200 200 THR N N 15 113.2 0 . . . . . . . 200 THR N . 51598 1 977 . 1 . 1 201 201 LYS H H 1 8.24 0 . . . . . . . 201 LYS H . 51598 1 978 . 1 . 1 201 201 LYS C C 13 176.58 0 . . . . . . . 201 LYS C . 51598 1 979 . 1 . 1 201 201 LYS CA C 13 56.51 0 . . . . . . . 201 LYS CA . 51598 1 980 . 1 . 1 201 201 LYS CB C 13 32.61 0 . . . . . . . 201 LYS CB . 51598 1 981 . 1 . 1 201 201 LYS N N 15 123.3 0 . . . . . . . 201 LYS N . 51598 1 982 . 1 . 1 202 202 MET H H 1 8.38 0 . . . . . . . 202 MET H . 51598 1 983 . 1 . 1 202 202 MET C C 13 176.31 0 . . . . . . . 202 MET C . 51598 1 984 . 1 . 1 202 202 MET CA C 13 55.45 0 . . . . . . . 202 MET CA . 51598 1 985 . 1 . 1 202 202 MET CB C 13 32.32 0 . . . . . . . 202 MET CB . 51598 1 986 . 1 . 1 202 202 MET N N 15 121.3 0 . . . . . . . 202 MET N . 51598 1 987 . 1 . 1 203 203 LEU H H 1 8.33 0 . . . . . . . 203 LEU H . 51598 1 988 . 1 . 1 203 203 LEU C C 13 177.94 0 . . . . . . . 203 LEU C . 51598 1 989 . 1 . 1 203 203 LEU CA C 13 55.43 0 . . . . . . . 203 LEU CA . 51598 1 990 . 1 . 1 203 203 LEU CB C 13 42.04 0 . . . . . . . 203 LEU CB . 51598 1 991 . 1 . 1 203 203 LEU N N 15 123.47 0 . . . . . . . 203 LEU N . 51598 1 992 . 1 . 1 204 204 GLY H H 1 8.48 0 . . . . . . . 204 GLY H . 51598 1 993 . 1 . 1 204 204 GLY C C 13 174.15 0 . . . . . . . 204 GLY C . 51598 1 994 . 1 . 1 204 204 GLY CA C 13 45.21 0 . . . . . . . 204 GLY CA . 51598 1 995 . 1 . 1 204 204 GLY N N 15 109.81 0 . . . . . . . 204 GLY N . 51598 1 996 . 1 . 1 205 205 SER H H 1 8.26 0 . . . . . . . 205 SER H . 51598 1 997 . 1 . 1 205 205 SER C C 13 174.09 0 . . . . . . . 205 SER C . 51598 1 998 . 1 . 1 205 205 SER CA C 13 58.22 0 . . . . . . . 205 SER CA . 51598 1 999 . 1 . 1 205 205 SER CB C 13 63.99 0 . . . . . . . 205 SER CB . 51598 1 1000 . 1 . 1 205 205 SER N N 15 115.42 0 . . . . . . . 205 SER N . 51598 1 1001 . 1 . 1 206 206 GLY H H 1 8.2 0 . . . . . . . 206 GLY H . 51598 1 1002 . 1 . 1 206 206 GLY CA C 13 46.09 0 . . . . . . . 206 GLY CA . 51598 1 1003 . 1 . 1 206 206 GLY N N 15 116.83 0 . . . . . . . 206 GLY N . 51598 1 stop_ save_