data_50593 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50593 _Entry.Title ; nsP3 VEEV ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-23 _Entry.Accession_date 2020-11-23 _Entry.Last_release_date 2020-11-25 _Entry.Original_release_date 2020-11-25 _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 'nsP3 domain of Venezuelan equine encephalitis virus' _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 Peter Agback . . . 0000-0003-2226-0746 50593 2 Andrey Shernyukov . . . . 50593 3 Francisco Dominguez . . . . 50593 4 Tatiana Agback . . . . 50593 5 Elena Frolova . I. . . 50593 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50593 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 517 50593 '15N chemical shifts' 150 50593 '1H chemical shifts' 332 50593 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-06-30 . original BMRB . 50593 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50593 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33321815 _Citation.DOI 10.3390/molecules25245824 _Citation.Full_citation . _Citation.Title ; Novel NMR Assignment Strategy Reveals Structural Heterogeneity in Solution of the nsP3 HVD Domain of Venezuelan Equine Encephalitis Virus. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Molecules _Citation.Journal_name_full 'Molecules (Basel, Switzerland)' _Citation.Journal_volume 25 _Citation.Journal_issue 24 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1420-3049 _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 5824 _Citation.Page_last 5824 _Citation.Year 2020 _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 Peter Agback . . . . 50593 1 2 Andrey Shernyukov . . . . 50593 1 3 Francisco Dominguez . . . . 50593 1 4 Tatiana Agback . . . . 50593 1 5 Elena Frolova . I. . . 50593 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50593 _Assembly.ID 1 _Assembly.Name nsP3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 nsP3 1 $entity_1 . . yes native no no . . . 50593 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50593 _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 ; GSLWVETPPVDETPEPSAEN QSTEGTPEQPPLITEDETRT RTPEPIIIEEEEEDSISLLS DGPTHQVLQVEADIHGPPSV SSSSWSIPHASDFDVDSLSI LDTLEGASVTSGATSAETNS YFAKSMEFLARPVPAPRTVF RNPPHPAPRTRTPSLAPSRA CSRTSLVSTPPGVNRVITRE ELEALTPSR ; _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 189 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50593 1 2 . SER . 50593 1 3 . LEU . 50593 1 4 . TRP . 50593 1 5 . VAL . 50593 1 6 . GLU . 50593 1 7 . THR . 50593 1 8 . PRO . 50593 1 9 . PRO . 50593 1 10 . VAL . 50593 1 11 . ASP . 50593 1 12 . GLU . 50593 1 13 . THR . 50593 1 14 . PRO . 50593 1 15 . GLU . 50593 1 16 . PRO . 50593 1 17 . SER . 50593 1 18 . ALA . 50593 1 19 . GLU . 50593 1 20 . ASN . 50593 1 21 . GLN . 50593 1 22 . SER . 50593 1 23 . THR . 50593 1 24 . GLU . 50593 1 25 . GLY . 50593 1 26 . THR . 50593 1 27 . PRO . 50593 1 28 . GLU . 50593 1 29 . GLN . 50593 1 30 . PRO . 50593 1 31 . PRO . 50593 1 32 . LEU . 50593 1 33 . ILE . 50593 1 34 . THR . 50593 1 35 . GLU . 50593 1 36 . ASP . 50593 1 37 . GLU . 50593 1 38 . THR . 50593 1 39 . ARG . 50593 1 40 . THR . 50593 1 41 . ARG . 50593 1 42 . THR . 50593 1 43 . PRO . 50593 1 44 . GLU . 50593 1 45 . PRO . 50593 1 46 . ILE . 50593 1 47 . ILE . 50593 1 48 . ILE . 50593 1 49 . GLU . 50593 1 50 . GLU . 50593 1 51 . GLU . 50593 1 52 . GLU . 50593 1 53 . GLU . 50593 1 54 . ASP . 50593 1 55 . SER . 50593 1 56 . ILE . 50593 1 57 . SER . 50593 1 58 . LEU . 50593 1 59 . LEU . 50593 1 60 . SER . 50593 1 61 . ASP . 50593 1 62 . GLY . 50593 1 63 . PRO . 50593 1 64 . THR . 50593 1 65 . HIS . 50593 1 66 . GLN . 50593 1 67 . VAL . 50593 1 68 . LEU . 50593 1 69 . GLN . 50593 1 70 . VAL . 50593 1 71 . GLU . 50593 1 72 . ALA . 50593 1 73 . ASP . 50593 1 74 . ILE . 50593 1 75 . HIS . 50593 1 76 . GLY . 50593 1 77 . PRO . 50593 1 78 . PRO . 50593 1 79 . SER . 50593 1 80 . VAL . 50593 1 81 . SER . 50593 1 82 . SER . 50593 1 83 . SER . 50593 1 84 . SER . 50593 1 85 . TRP . 50593 1 86 . SER . 50593 1 87 . ILE . 50593 1 88 . PRO . 50593 1 89 . HIS . 50593 1 90 . ALA . 50593 1 91 . SER . 50593 1 92 . ASP . 50593 1 93 . PHE . 50593 1 94 . ASP . 50593 1 95 . VAL . 50593 1 96 . ASP . 50593 1 97 . SER . 50593 1 98 . LEU . 50593 1 99 . SER . 50593 1 100 . ILE . 50593 1 101 . LEU . 50593 1 102 . ASP . 50593 1 103 . THR . 50593 1 104 . LEU . 50593 1 105 . GLU . 50593 1 106 . GLY . 50593 1 107 . ALA . 50593 1 108 . SER . 50593 1 109 . VAL . 50593 1 110 . THR . 50593 1 111 . SER . 50593 1 112 . GLY . 50593 1 113 . ALA . 50593 1 114 . THR . 50593 1 115 . SER . 50593 1 116 . ALA . 50593 1 117 . GLU . 50593 1 118 . THR . 50593 1 119 . ASN . 50593 1 120 . SER . 50593 1 121 . TYR . 50593 1 122 . PHE . 50593 1 123 . ALA . 50593 1 124 . LYS . 50593 1 125 . SER . 50593 1 126 . MET . 50593 1 127 . GLU . 50593 1 128 . PHE . 50593 1 129 . LEU . 50593 1 130 . ALA . 50593 1 131 . ARG . 50593 1 132 . PRO . 50593 1 133 . VAL . 50593 1 134 . PRO . 50593 1 135 . ALA . 50593 1 136 . PRO . 50593 1 137 . ARG . 50593 1 138 . THR . 50593 1 139 . VAL . 50593 1 140 . PHE . 50593 1 141 . ARG . 50593 1 142 . ASN . 50593 1 143 . PRO . 50593 1 144 . PRO . 50593 1 145 . HIS . 50593 1 146 . PRO . 50593 1 147 . ALA . 50593 1 148 . PRO . 50593 1 149 . ARG . 50593 1 150 . THR . 50593 1 151 . ARG . 50593 1 152 . THR . 50593 1 153 . PRO . 50593 1 154 . SER . 50593 1 155 . LEU . 50593 1 156 . ALA . 50593 1 157 . PRO . 50593 1 158 . SER . 50593 1 159 . ARG . 50593 1 160 . ALA . 50593 1 161 . CYS . 50593 1 162 . SER . 50593 1 163 . ARG . 50593 1 164 . THR . 50593 1 165 . SER . 50593 1 166 . LEU . 50593 1 167 . VAL . 50593 1 168 . SER . 50593 1 169 . THR . 50593 1 170 . PRO . 50593 1 171 . PRO . 50593 1 172 . GLY . 50593 1 173 . VAL . 50593 1 174 . ASN . 50593 1 175 . ARG . 50593 1 176 . VAL . 50593 1 177 . ILE . 50593 1 178 . THR . 50593 1 179 . ARG . 50593 1 180 . GLU . 50593 1 181 . GLU . 50593 1 182 . LEU . 50593 1 183 . GLU . 50593 1 184 . ALA . 50593 1 185 . LEU . 50593 1 186 . THR . 50593 1 187 . PRO . 50593 1 188 . SER . 50593 1 189 . ARG . 50593 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 . GLY 1 1 50593 1 . SER 2 2 50593 1 . LEU 3 3 50593 1 . TRP 4 4 50593 1 . VAL 5 5 50593 1 . GLU 6 6 50593 1 . THR 7 7 50593 1 . PRO 8 8 50593 1 . PRO 9 9 50593 1 . VAL 10 10 50593 1 . ASP 11 11 50593 1 . GLU 12 12 50593 1 . THR 13 13 50593 1 . PRO 14 14 50593 1 . GLU 15 15 50593 1 . PRO 16 16 50593 1 . SER 17 17 50593 1 . ALA 18 18 50593 1 . GLU 19 19 50593 1 . ASN 20 20 50593 1 . GLN 21 21 50593 1 . SER 22 22 50593 1 . THR 23 23 50593 1 . GLU 24 24 50593 1 . GLY 25 25 50593 1 . THR 26 26 50593 1 . PRO 27 27 50593 1 . GLU 28 28 50593 1 . GLN 29 29 50593 1 . PRO 30 30 50593 1 . PRO 31 31 50593 1 . LEU 32 32 50593 1 . ILE 33 33 50593 1 . THR 34 34 50593 1 . GLU 35 35 50593 1 . ASP 36 36 50593 1 . GLU 37 37 50593 1 . THR 38 38 50593 1 . ARG 39 39 50593 1 . THR 40 40 50593 1 . ARG 41 41 50593 1 . THR 42 42 50593 1 . PRO 43 43 50593 1 . GLU 44 44 50593 1 . PRO 45 45 50593 1 . ILE 46 46 50593 1 . ILE 47 47 50593 1 . ILE 48 48 50593 1 . GLU 49 49 50593 1 . GLU 50 50 50593 1 . GLU 51 51 50593 1 . GLU 52 52 50593 1 . GLU 53 53 50593 1 . ASP 54 54 50593 1 . SER 55 55 50593 1 . ILE 56 56 50593 1 . SER 57 57 50593 1 . LEU 58 58 50593 1 . LEU 59 59 50593 1 . SER 60 60 50593 1 . ASP 61 61 50593 1 . GLY 62 62 50593 1 . PRO 63 63 50593 1 . THR 64 64 50593 1 . HIS 65 65 50593 1 . GLN 66 66 50593 1 . VAL 67 67 50593 1 . LEU 68 68 50593 1 . GLN 69 69 50593 1 . VAL 70 70 50593 1 . GLU 71 71 50593 1 . ALA 72 72 50593 1 . ASP 73 73 50593 1 . ILE 74 74 50593 1 . HIS 75 75 50593 1 . GLY 76 76 50593 1 . PRO 77 77 50593 1 . PRO 78 78 50593 1 . SER 79 79 50593 1 . VAL 80 80 50593 1 . SER 81 81 50593 1 . SER 82 82 50593 1 . SER 83 83 50593 1 . SER 84 84 50593 1 . TRP 85 85 50593 1 . SER 86 86 50593 1 . ILE 87 87 50593 1 . PRO 88 88 50593 1 . HIS 89 89 50593 1 . ALA 90 90 50593 1 . SER 91 91 50593 1 . ASP 92 92 50593 1 . PHE 93 93 50593 1 . ASP 94 94 50593 1 . VAL 95 95 50593 1 . ASP 96 96 50593 1 . SER 97 97 50593 1 . LEU 98 98 50593 1 . SER 99 99 50593 1 . ILE 100 100 50593 1 . LEU 101 101 50593 1 . ASP 102 102 50593 1 . THR 103 103 50593 1 . LEU 104 104 50593 1 . GLU 105 105 50593 1 . GLY 106 106 50593 1 . ALA 107 107 50593 1 . SER 108 108 50593 1 . VAL 109 109 50593 1 . THR 110 110 50593 1 . SER 111 111 50593 1 . GLY 112 112 50593 1 . ALA 113 113 50593 1 . THR 114 114 50593 1 . SER 115 115 50593 1 . ALA 116 116 50593 1 . GLU 117 117 50593 1 . THR 118 118 50593 1 . ASN 119 119 50593 1 . SER 120 120 50593 1 . TYR 121 121 50593 1 . PHE 122 122 50593 1 . ALA 123 123 50593 1 . LYS 124 124 50593 1 . SER 125 125 50593 1 . MET 126 126 50593 1 . GLU 127 127 50593 1 . PHE 128 128 50593 1 . LEU 129 129 50593 1 . ALA 130 130 50593 1 . ARG 131 131 50593 1 . PRO 132 132 50593 1 . VAL 133 133 50593 1 . PRO 134 134 50593 1 . ALA 135 135 50593 1 . PRO 136 136 50593 1 . ARG 137 137 50593 1 . THR 138 138 50593 1 . VAL 139 139 50593 1 . PHE 140 140 50593 1 . ARG 141 141 50593 1 . ASN 142 142 50593 1 . PRO 143 143 50593 1 . PRO 144 144 50593 1 . HIS 145 145 50593 1 . PRO 146 146 50593 1 . ALA 147 147 50593 1 . PRO 148 148 50593 1 . ARG 149 149 50593 1 . THR 150 150 50593 1 . ARG 151 151 50593 1 . THR 152 152 50593 1 . PRO 153 153 50593 1 . SER 154 154 50593 1 . LEU 155 155 50593 1 . ALA 156 156 50593 1 . PRO 157 157 50593 1 . SER 158 158 50593 1 . ARG 159 159 50593 1 . ALA 160 160 50593 1 . CYS 161 161 50593 1 . SER 162 162 50593 1 . ARG 163 163 50593 1 . THR 164 164 50593 1 . SER 165 165 50593 1 . LEU 166 166 50593 1 . VAL 167 167 50593 1 . SER 168 168 50593 1 . THR 169 169 50593 1 . PRO 170 170 50593 1 . PRO 171 171 50593 1 . GLY 172 172 50593 1 . VAL 173 173 50593 1 . ASN 174 174 50593 1 . ARG 175 175 50593 1 . VAL 176 176 50593 1 . ILE 177 177 50593 1 . THR 178 178 50593 1 . ARG 179 179 50593 1 . GLU 180 180 50593 1 . GLU 181 181 50593 1 . LEU 182 182 50593 1 . GLU 183 183 50593 1 . ALA 184 184 50593 1 . LEU 185 185 50593 1 . THR 186 186 50593 1 . PRO 187 187 50593 1 . SER 188 188 50593 1 . ARG 189 189 50593 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 50593 _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 . 11018 organism . 'alphavirus togaviridae' 'alphavirus togaviridae' . . Viruses . alphavirus togaviridae . . . . . . . . . . . . . 50593 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 50593 _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 LEM021(DE3) . . plasmid . . pE-SUMOpro-3 . . . 50593 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50593 _Sample.ID 1 _Sample.Name normal _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 nsP3 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 765 . . uM 15 . . . 50593 1 2 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 50593 1 3 NaN3 'natural abundance' . . . . . . 1 . . mM . . . . 50593 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50593 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 50593 _Sample_condition_list.ID 1 _Sample_condition_list.Name normal _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 50593 1 pH 6.8 . pH 50593 1 pressure 1 . atm 50593 1 temperature 288 0.1 K 50593 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50593 _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 collection . 50593 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50593 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50593 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 50593 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name cryo _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50593 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50593 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50593 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 50593 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 50593 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50593 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 50593 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 50593 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name VEE_200617HA.txt _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 50593 1 2 '3D HNCA' . . . 50593 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 . . 50593 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 GLY HA2 H 1 3.97 0.01 . . . . . . . 1 GLY HA . 50593 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.97 0.01 . . . . . . . 1 GLY HA . 50593 1 3 . 1 . 1 1 1 GLY C C 13 174.35 0.05 . . . . . . . 1 GLY C . 50593 1 4 . 1 . 1 1 1 GLY CA C 13 45.25 0.05 . . . . . . . 1 GLY CA . 50593 1 5 . 1 . 1 1 1 GLY N N 15 110.3 0.05 . . . . . . . 1 GLY N . 50593 1 6 . 1 . 1 2 2 SER H H 1 8.36 0.01 . . . . . . . 2 SER H . 50593 1 7 . 1 . 1 2 2 SER N N 15 115.7 0.05 . . . . . . . 2 SER N . 50593 1 8 . 1 . 1 3 3 LEU HA H 1 4.22 0.01 . . . . . . . 3 LEU HA . 50593 1 9 . 1 . 1 3 3 LEU C C 13 176.78 0.05 . . . . . . . 3 LEU C . 50593 1 10 . 1 . 1 3 3 LEU CA C 13 55.13 0.05 . . . . . . . 3 LEU CA . 50593 1 11 . 1 . 1 3 3 LEU CB C 13 42.13 0.05 . . . . . . . 3 LEU CB . 50593 1 12 . 1 . 1 4 4 TRP H H 1 8.15 0.01 . . . . . . . 4 TRP H . 50593 1 13 . 1 . 1 4 4 TRP HA H 1 4.58 0.01 . . . . . . . 4 TRP HA . 50593 1 14 . 1 . 1 4 4 TRP C C 13 175.54 0.05 . . . . . . . 4 TRP C . 50593 1 15 . 1 . 1 4 4 TRP CA C 13 57.42 0.05 . . . . . . . 4 TRP CA . 50593 1 16 . 1 . 1 4 4 TRP CB C 13 29.56 0.05 . . . . . . . 4 TRP CB . 50593 1 17 . 1 . 1 4 4 TRP N N 15 122.31 0.05 . . . . . . . 4 TRP N . 50593 1 18 . 1 . 1 5 5 VAL H H 1 7.76 0.01 . . . . . . . 5 VAL H . 50593 1 19 . 1 . 1 5 5 VAL HA H 1 3.95 0.01 . . . . . . . 5 VAL HA . 50593 1 20 . 1 . 1 5 5 VAL C C 13 174.99 0.05 . . . . . . . 5 VAL C . 50593 1 21 . 1 . 1 5 5 VAL CA C 13 61.53 0.05 . . . . . . . 5 VAL CA . 50593 1 22 . 1 . 1 5 5 VAL CB C 13 33.49 0.05 . . . . . . . 5 VAL CB . 50593 1 23 . 1 . 1 5 5 VAL N N 15 122.99 0.05 . . . . . . . 5 VAL N . 50593 1 24 . 1 . 1 6 6 GLU H H 1 8.31 0.01 . . . . . . . 6 GLU H . 50593 1 25 . 1 . 1 6 6 GLU HA H 1 4.06 0.01 . . . . . . . 6 GLU HA . 50593 1 26 . 1 . 1 6 6 GLU C C 13 176.2 0.05 . . . . . . . 6 GLU C . 50593 1 27 . 1 . 1 6 6 GLU CA C 13 56.49 0.05 . . . . . . . 6 GLU CA . 50593 1 28 . 1 . 1 6 6 GLU CB C 13 30.29 0.05 . . . . . . . 6 GLU CB . 50593 1 29 . 1 . 1 6 6 GLU N N 15 124.59 0.05 . . . . . . . 6 GLU N . 50593 1 30 . 1 . 1 7 7 THR H H 1 8.28 0.01 . . . . . . . 7 THR H . 50593 1 31 . 1 . 1 7 7 THR HA H 1 4.5 0.01 . . . . . . . 7 THR HA . 50593 1 32 . 1 . 1 7 7 THR C C 13 172.23 0.05 . . . . . . . 7 THR C . 50593 1 33 . 1 . 1 7 7 THR CA C 13 59.76 0.05 . . . . . . . 7 THR CA . 50593 1 34 . 1 . 1 7 7 THR CB C 13 69.84 0.05 . . . . . . . 7 THR CB . 50593 1 35 . 1 . 1 7 7 THR N N 15 118.75 0.05 . . . . . . . 7 THR N . 50593 1 36 . 1 . 1 9 9 PRO HA H 1 4.42 0.01 . . . . . . . 9 PRO HA . 50593 1 37 . 1 . 1 9 9 PRO C C 13 176.96 0.05 . . . . . . . 9 PRO C . 50593 1 38 . 1 . 1 9 9 PRO CA C 13 62.83 0.05 . . . . . . . 9 PRO CA . 50593 1 39 . 1 . 1 9 9 PRO CB C 13 32.09 0.05 . . . . . . . 9 PRO CB . 50593 1 40 . 1 . 1 10 10 VAL H H 1 8.29 0.01 . . . . . . . 10 VAL H . 50593 1 41 . 1 . 1 10 10 VAL HA H 1 4.06 0.01 . . . . . . . 10 VAL HA . 50593 1 42 . 1 . 1 10 10 VAL C C 13 175.92 0.05 . . . . . . . 10 VAL C . 50593 1 43 . 1 . 1 10 10 VAL CA C 13 62.17 0.05 . . . . . . . 10 VAL CA . 50593 1 44 . 1 . 1 10 10 VAL CB C 13 32.92 0.05 . . . . . . . 10 VAL CB . 50593 1 45 . 1 . 1 10 10 VAL N N 15 120.01 0.05 . . . . . . . 10 VAL N . 50593 1 46 . 1 . 1 11 11 ASP H H 1 8.46 0.01 . . . . . . . 11 ASP H . 50593 1 47 . 1 . 1 11 11 ASP HA H 1 4.59 0.01 . . . . . . . 11 ASP HA . 50593 1 48 . 1 . 1 11 11 ASP C C 13 176 0.05 . . . . . . . 11 ASP C . 50593 1 49 . 1 . 1 11 11 ASP CA C 13 54.29 0.05 . . . . . . . 11 ASP CA . 50593 1 50 . 1 . 1 11 11 ASP CB C 13 41.21 0.05 . . . . . . . 11 ASP CB . 50593 1 51 . 1 . 1 11 11 ASP N N 15 123.82 0.05 . . . . . . . 11 ASP N . 50593 1 52 . 1 . 1 12 12 GLU H H 1 8.44 0.01 . . . . . . . 12 GLU H . 50593 1 53 . 1 . 1 12 12 GLU HA H 1 4.31 0.01 . . . . . . . 12 GLU HA . 50593 1 54 . 1 . 1 12 12 GLU C C 13 176.37 0.05 . . . . . . . 12 GLU C . 50593 1 55 . 1 . 1 12 12 GLU CA C 13 56.18 0.05 . . . . . . . 12 GLU CA . 50593 1 56 . 1 . 1 12 12 GLU CB C 13 30.43 0.05 . . . . . . . 12 GLU CB . 50593 1 57 . 1 . 1 12 12 GLU N N 15 121.83 0.05 . . . . . . . 12 GLU N . 50593 1 58 . 1 . 1 13 13 THR H H 1 8.46 0.01 . . . . . . . 13 THR H . 50593 1 59 . 1 . 1 13 13 THR HA H 1 4.5 0.01 . . . . . . . 13 THR HA . 50593 1 60 . 1 . 1 13 13 THR C C 13 172.76 0.05 . . . . . . . 13 THR C . 50593 1 61 . 1 . 1 13 13 THR CA C 13 60.23 0.05 . . . . . . . 13 THR CA . 50593 1 62 . 1 . 1 13 13 THR CB C 13 69.77 0.05 . . . . . . . 13 THR CB . 50593 1 63 . 1 . 1 13 13 THR N N 15 119.04 0.05 . . . . . . . 13 THR N . 50593 1 64 . 1 . 1 14 14 PRO HA H 1 4.41 0.01 . . . . . . . 14 PRO HA . 50593 1 65 . 1 . 1 14 14 PRO C C 13 176.64 0.05 . . . . . . . 14 PRO C . 50593 1 66 . 1 . 1 14 14 PRO CA C 13 62.87 0.05 . . . . . . . 14 PRO CA . 50593 1 67 . 1 . 1 14 14 PRO CB C 13 32.19 0.05 . . . . . . . 14 PRO CB . 50593 1 68 . 1 . 1 15 15 GLU H H 1 8.59 0.01 . . . . . . . 15 GLU H . 50593 1 69 . 1 . 1 15 15 GLU HA H 1 4.51 0.01 . . . . . . . 15 GLU HA . 50593 1 70 . 1 . 1 15 15 GLU C C 13 174.83 0.05 . . . . . . . 15 GLU C . 50593 1 71 . 1 . 1 15 15 GLU CA C 13 54.4 0.05 . . . . . . . 15 GLU CA . 50593 1 72 . 1 . 1 15 15 GLU CB C 13 29.5 0.05 . . . . . . . 15 GLU CB . 50593 1 73 . 1 . 1 15 15 GLU N N 15 122.88 0.05 . . . . . . . 15 GLU N . 50593 1 74 . 1 . 1 16 16 PRO HA H 1 4.41 0.01 . . . . . . . 16 PRO HA . 50593 1 75 . 1 . 1 16 16 PRO C C 13 176.96 0.05 . . . . . . . 16 PRO C . 50593 1 76 . 1 . 1 16 16 PRO CA C 13 63.27 0.05 . . . . . . . 16 PRO CA . 50593 1 77 . 1 . 1 16 16 PRO CB C 13 32.14 0.05 . . . . . . . 16 PRO CB . 50593 1 78 . 1 . 1 17 17 SER H H 1 8.53 0.01 . . . . . . . 17 SER H . 50593 1 79 . 1 . 1 17 17 SER HA H 1 4.41 0.01 . . . . . . . 17 SER HA . 50593 1 80 . 1 . 1 17 17 SER C C 13 174.59 0.05 . . . . . . . 17 SER C . 50593 1 81 . 1 . 1 17 17 SER CA C 13 58.21 0.05 . . . . . . . 17 SER CA . 50593 1 82 . 1 . 1 17 17 SER CB C 13 63.99 0.05 . . . . . . . 17 SER CB . 50593 1 83 . 1 . 1 17 17 SER N N 15 116.28 0.05 . . . . . . . 17 SER N . 50593 1 84 . 1 . 1 18 18 ALA H H 1 8.53 0.01 . . . . . . . 18 ALA H . 50593 1 85 . 1 . 1 18 18 ALA HA H 1 4.31 0.01 . . . . . . . 18 ALA HA . 50593 1 86 . 1 . 1 18 18 ALA C C 13 177.96 0.05 . . . . . . . 18 ALA C . 50593 1 87 . 1 . 1 18 18 ALA CA C 13 52.74 0.05 . . . . . . . 18 ALA CA . 50593 1 88 . 1 . 1 18 18 ALA CB C 13 19.21 0.05 . . . . . . . 18 ALA CB . 50593 1 89 . 1 . 1 18 18 ALA N N 15 126.34 0.05 . . . . . . . 18 ALA N . 50593 1 90 . 1 . 1 19 19 GLU H H 1 8.45 0.01 . . . . . . . 19 GLU H . 50593 1 91 . 1 . 1 19 19 GLU HA H 1 4.21 0.01 . . . . . . . 19 GLU HA . 50593 1 92 . 1 . 1 19 19 GLU C C 13 176.45 0.05 . . . . . . . 19 GLU C . 50593 1 93 . 1 . 1 19 19 GLU CA C 13 56.79 0.05 . . . . . . . 19 GLU CA . 50593 1 94 . 1 . 1 19 19 GLU CB C 13 30.15 0.05 . . . . . . . 19 GLU CB . 50593 1 95 . 1 . 1 19 19 GLU N N 15 119.33 0.05 . . . . . . . 19 GLU N . 50593 1 96 . 1 . 1 20 20 ASN H H 1 8.48 0.01 . . . . . . . 20 ASN H . 50593 1 97 . 1 . 1 20 20 ASN HA H 1 4.67 0.01 . . . . . . . 20 ASN HA . 50593 1 98 . 1 . 1 20 20 ASN C C 13 175.21 0.05 . . . . . . . 20 ASN C . 50593 1 99 . 1 . 1 20 20 ASN CA C 13 53.38 0.05 . . . . . . . 20 ASN CA . 50593 1 100 . 1 . 1 20 20 ASN CB C 13 38.79 0.05 . . . . . . . 20 ASN CB . 50593 1 101 . 1 . 1 20 20 ASN N N 15 119.21 0.05 . . . . . . . 20 ASN N . 50593 1 102 . 1 . 1 21 21 GLN H H 1 8.42 0.01 . . . . . . . 21 GLN H . 50593 1 103 . 1 . 1 21 21 GLN HA H 1 4.35 0.01 . . . . . . . 21 GLN HA . 50593 1 104 . 1 . 1 21 21 GLN C C 13 176.12 0.05 . . . . . . . 21 GLN C . 50593 1 105 . 1 . 1 21 21 GLN CA C 13 55.91 0.05 . . . . . . . 21 GLN CA . 50593 1 106 . 1 . 1 21 21 GLN CB C 13 29.47 0.05 . . . . . . . 21 GLN CB . 50593 1 107 . 1 . 1 21 21 GLN N N 15 120.67 0.05 . . . . . . . 21 GLN N . 50593 1 108 . 1 . 1 22 22 SER H H 1 8.51 0.01 . . . . . . . 22 SER H . 50593 1 109 . 1 . 1 22 22 SER HA H 1 4.51 0.01 . . . . . . . 22 SER HA . 50593 1 110 . 1 . 1 22 22 SER C C 13 175.1 0.05 . . . . . . . 22 SER C . 50593 1 111 . 1 . 1 22 22 SER CA C 13 58.4 0.05 . . . . . . . 22 SER CA . 50593 1 112 . 1 . 1 22 22 SER CB C 13 63.81 0.05 . . . . . . . 22 SER CB . 50593 1 113 . 1 . 1 22 22 SER N N 15 117.11 0.05 . . . . . . . 22 SER N . 50593 1 114 . 1 . 1 23 23 THR H H 1 8.39 0.01 . . . . . . . 23 THR H . 50593 1 115 . 1 . 1 23 23 THR HA H 1 4.37 0.01 . . . . . . . 23 THR HA . 50593 1 116 . 1 . 1 23 23 THR C C 13 174.77 0.05 . . . . . . . 23 THR C . 50593 1 117 . 1 . 1 23 23 THR CA C 13 61.95 0.05 . . . . . . . 23 THR CA . 50593 1 118 . 1 . 1 23 23 THR CB C 13 69.73 0.05 . . . . . . . 23 THR CB . 50593 1 119 . 1 . 1 23 23 THR N N 15 115.91 0.05 . . . . . . . 23 THR N . 50593 1 120 . 1 . 1 24 24 GLU H H 1 8.46 0.01 . . . . . . . 24 GLU H . 50593 1 121 . 1 . 1 24 24 GLU HA H 1 4.28 0.01 . . . . . . . 24 GLU HA . 50593 1 122 . 1 . 1 24 24 GLU C C 13 176.94 0.05 . . . . . . . 24 GLU C . 50593 1 123 . 1 . 1 24 24 GLU CA C 13 56.83 0.05 . . . . . . . 24 GLU CA . 50593 1 124 . 1 . 1 24 24 GLU CB C 13 30.25 0.05 . . . . . . . 24 GLU CB . 50593 1 125 . 1 . 1 24 24 GLU N N 15 123.13 0.05 . . . . . . . 24 GLU N . 50593 1 126 . 1 . 1 25 25 GLY H H 1 8.5 0.01 . . . . . . . 25 GLY H . 50593 1 127 . 1 . 1 25 25 GLY HA2 H 1 3.96 0.01 . . . . . . . 25 GLY HA . 50593 1 128 . 1 . 1 25 25 GLY HA3 H 1 3.96 0.01 . . . . . . . 25 GLY HA . 50593 1 129 . 1 . 1 25 25 GLY C C 13 173.91 0.05 . . . . . . . 25 GLY C . 50593 1 130 . 1 . 1 25 25 GLY CA C 13 45.04 0.05 . . . . . . . 25 GLY CA . 50593 1 131 . 1 . 1 25 25 GLY N N 15 110.1 0.05 . . . . . . . 25 GLY N . 50593 1 132 . 1 . 1 26 26 THR H H 1 8.22 0.01 . . . . . . . 26 THR H . 50593 1 133 . 1 . 1 26 26 THR HA H 1 4.59 0.01 . . . . . . . 26 THR HA . 50593 1 134 . 1 . 1 26 26 THR C C 13 173.08 0.05 . . . . . . . 26 THR C . 50593 1 135 . 1 . 1 26 26 THR CA C 13 59.9 0.05 . . . . . . . 26 THR CA . 50593 1 136 . 1 . 1 26 26 THR CB C 13 69.97 0.05 . . . . . . . 26 THR CB . 50593 1 137 . 1 . 1 26 26 THR N N 15 116.5 0.05 . . . . . . . 26 THR N . 50593 1 138 . 1 . 1 27 27 PRO HA H 1 4.41 0.01 . . . . . . . 27 PRO HA . 50593 1 139 . 1 . 1 27 27 PRO C C 13 176.91 0.05 . . . . . . . 27 PRO C . 50593 1 140 . 1 . 1 27 27 PRO CA C 13 63.2 0.05 . . . . . . . 27 PRO CA . 50593 1 141 . 1 . 1 27 27 PRO CB C 13 32.15 0.05 . . . . . . . 27 PRO CB . 50593 1 142 . 1 . 1 28 28 GLU H H 1 8.59 0.01 . . . . . . . 28 GLU H . 50593 1 143 . 1 . 1 28 28 GLU HA H 1 4.19 0.01 . . . . . . . 28 GLU HA . 50593 1 144 . 1 . 1 28 28 GLU C C 13 176.37 0.05 . . . . . . . 28 GLU C . 50593 1 145 . 1 . 1 28 28 GLU CA C 13 56.64 0.05 . . . . . . . 28 GLU CA . 50593 1 146 . 1 . 1 28 28 GLU CB C 13 30.25 0.05 . . . . . . . 28 GLU CB . 50593 1 147 . 1 . 1 28 28 GLU N N 15 121.33 0.05 . . . . . . . 28 GLU N . 50593 1 148 . 1 . 1 29 29 GLN H H 1 8.49 0.01 . . . . . . . 29 GLN H . 50593 1 149 . 1 . 1 29 29 GLN HA H 1 4.6 0.01 . . . . . . . 29 GLN HA . 50593 1 150 . 1 . 1 29 29 GLN C C 13 173.42 0.05 . . . . . . . 29 GLN C . 50593 1 151 . 1 . 1 29 29 GLN CA C 13 53.37 0.05 . . . . . . . 29 GLN CA . 50593 1 152 . 1 . 1 29 29 GLN CB C 13 29.08 0.05 . . . . . . . 29 GLN CB . 50593 1 153 . 1 . 1 29 29 GLN N N 15 122.66 0.05 . . . . . . . 29 GLN N . 50593 1 154 . 1 . 1 31 31 PRO HA H 1 4.39 0.01 . . . . . . . 31 PRO HA . 50593 1 155 . 1 . 1 31 31 PRO C C 13 176.6 0.05 . . . . . . . 31 PRO C . 50593 1 156 . 1 . 1 31 31 PRO CA C 13 62.63 0.05 . . . . . . . 31 PRO CA . 50593 1 157 . 1 . 1 31 31 PRO CB C 13 32.09 0.05 . . . . . . . 31 PRO CB . 50593 1 158 . 1 . 1 32 32 LEU H H 1 8.38 0.01 . . . . . . . 32 LEU H . 50593 1 159 . 1 . 1 32 32 LEU HA H 1 4.3 0.01 . . . . . . . 32 LEU HA . 50593 1 160 . 1 . 1 32 32 LEU C C 13 177.27 0.05 . . . . . . . 32 LEU C . 50593 1 161 . 1 . 1 32 32 LEU CA C 13 55.19 0.05 . . . . . . . 32 LEU CA . 50593 1 162 . 1 . 1 32 32 LEU CB C 13 42.28 0.05 . . . . . . . 32 LEU CB . 50593 1 163 . 1 . 1 32 32 LEU N N 15 122.59 0.05 . . . . . . . 32 LEU N . 50593 1 164 . 1 . 1 33 33 ILE H H 1 8.33 0.01 . . . . . . . 33 ILE H . 50593 1 165 . 1 . 1 33 33 ILE HA H 1 4.26 0.01 . . . . . . . 33 ILE HA . 50593 1 166 . 1 . 1 33 33 ILE C C 13 176.34 0.05 . . . . . . . 33 ILE C . 50593 1 167 . 1 . 1 33 33 ILE CA C 13 60.74 0.05 . . . . . . . 33 ILE CA . 50593 1 168 . 1 . 1 33 33 ILE CB C 13 38.71 0.05 . . . . . . . 33 ILE CB . 50593 1 169 . 1 . 1 33 33 ILE N N 15 123.21 0.05 . . . . . . . 33 ILE N . 50593 1 170 . 1 . 1 34 34 THR H H 1 8.36 0.01 . . . . . . . 34 THR H . 50593 1 171 . 1 . 1 34 34 THR HA H 1 4.35 0.01 . . . . . . . 34 THR HA . 50593 1 172 . 1 . 1 34 34 THR C C 13 174.53 0.05 . . . . . . . 34 THR C . 50593 1 173 . 1 . 1 34 34 THR CA C 13 61.61 0.05 . . . . . . . 34 THR CA . 50593 1 174 . 1 . 1 34 34 THR CB C 13 70.05 0.05 . . . . . . . 34 THR CB . 50593 1 175 . 1 . 1 34 34 THR N N 15 118.94 0.05 . . . . . . . 34 THR N . 50593 1 176 . 1 . 1 35 35 GLU H H 1 8.57 0.01 . . . . . . . 35 GLU H . 50593 1 177 . 1 . 1 35 35 GLU HA H 1 4.28 0.01 . . . . . . . 35 GLU HA . 50593 1 178 . 1 . 1 35 35 GLU C C 13 176.24 0.05 . . . . . . . 35 GLU C . 50593 1 179 . 1 . 1 35 35 GLU CA C 13 56.7 0.05 . . . . . . . 35 GLU CA . 50593 1 180 . 1 . 1 35 35 GLU CB C 13 30.27 0.05 . . . . . . . 35 GLU CB . 50593 1 181 . 1 . 1 35 35 GLU N N 15 123.23 0.05 . . . . . . . 35 GLU N . 50593 1 182 . 1 . 1 36 36 ASP H H 1 8.45 0.01 . . . . . . . 36 ASP H . 50593 1 183 . 1 . 1 36 36 ASP HA H 1 4.55 0.01 . . . . . . . 36 ASP HA . 50593 1 184 . 1 . 1 36 36 ASP C C 13 176.84 0.05 . . . . . . . 36 ASP C . 50593 1 185 . 1 . 1 36 36 ASP CA C 13 54.5 0.05 . . . . . . . 36 ASP CA . 50593 1 186 . 1 . 1 36 36 ASP CB C 13 41.12 0.05 . . . . . . . 36 ASP CB . 50593 1 187 . 1 . 1 36 36 ASP N N 15 121.26 0.05 . . . . . . . 36 ASP N . 50593 1 188 . 1 . 1 37 37 GLU H H 1 8.6 0.01 . . . . . . . 37 GLU H . 50593 1 189 . 1 . 1 37 37 GLU HA H 1 4.27 0.01 . . . . . . . 37 GLU HA . 50593 1 190 . 1 . 1 37 37 GLU C C 13 177.19 0.05 . . . . . . . 37 GLU C . 50593 1 191 . 1 . 1 37 37 GLU CA C 13 57.32 0.05 . . . . . . . 37 GLU CA . 50593 1 192 . 1 . 1 37 37 GLU CB C 13 29.95 0.05 . . . . . . . 37 GLU CB . 50593 1 193 . 1 . 1 37 37 GLU N N 15 122.19 0.05 . . . . . . . 37 GLU N . 50593 1 194 . 1 . 1 38 38 THR H H 1 8.36 0.01 . . . . . . . 38 THR H . 50593 1 195 . 1 . 1 38 38 THR HA H 1 4.22 0.01 . . . . . . . 38 THR HA . 50593 1 196 . 1 . 1 38 38 THR C C 13 175.14 0.05 . . . . . . . 38 THR C . 50593 1 197 . 1 . 1 38 38 THR CA C 13 63.03 0.05 . . . . . . . 38 THR CA . 50593 1 198 . 1 . 1 38 38 THR CB C 13 69.5 0.05 . . . . . . . 38 THR CB . 50593 1 199 . 1 . 1 38 38 THR N N 15 114.03 0.05 . . . . . . . 38 THR N . 50593 1 200 . 1 . 1 39 39 ARG H H 1 8.14 0.01 . . . . . . . 39 ARG H . 50593 1 201 . 1 . 1 39 39 ARG HA H 1 4.36 0.01 . . . . . . . 39 ARG HA . 50593 1 202 . 1 . 1 39 39 ARG C C 13 176.54 0.05 . . . . . . . 39 ARG C . 50593 1 203 . 1 . 1 39 39 ARG CA C 13 56.35 0.05 . . . . . . . 39 ARG CA . 50593 1 204 . 1 . 1 39 39 ARG CB C 13 30.7 0.05 . . . . . . . 39 ARG CB . 50593 1 205 . 1 . 1 39 39 ARG N N 15 122.56 0.05 . . . . . . . 39 ARG N . 50593 1 206 . 1 . 1 40 40 THR H H 1 8.18 0.01 . . . . . . . 40 THR H . 50593 1 207 . 1 . 1 40 40 THR HA H 1 4.26 0.01 . . . . . . . 40 THR HA . 50593 1 208 . 1 . 1 40 40 THR C C 13 174.46 0.05 . . . . . . . 40 THR C . 50593 1 209 . 1 . 1 40 40 THR CA C 13 62.28 0.05 . . . . . . . 40 THR CA . 50593 1 210 . 1 . 1 40 40 THR CB C 13 69.73 0.05 . . . . . . . 40 THR CB . 50593 1 211 . 1 . 1 40 40 THR N N 15 115.18 0.05 . . . . . . . 40 THR N . 50593 1 212 . 1 . 1 41 41 ARG H H 1 8.4 0.01 . . . . . . . 41 ARG H . 50593 1 213 . 1 . 1 41 41 ARG HA H 1 4.41 0.01 . . . . . . . 41 ARG HA . 50593 1 214 . 1 . 1 41 41 ARG C C 13 176.14 0.05 . . . . . . . 41 ARG C . 50593 1 215 . 1 . 1 41 41 ARG CA C 13 55.86 0.05 . . . . . . . 41 ARG CA . 50593 1 216 . 1 . 1 41 41 ARG CB C 13 31.06 0.05 . . . . . . . 41 ARG CB . 50593 1 217 . 1 . 1 41 41 ARG N N 15 124.01 0.05 . . . . . . . 41 ARG N . 50593 1 218 . 1 . 1 42 42 THR H H 1 8.42 0.01 . . . . . . . 42 THR H . 50593 1 219 . 1 . 1 42 42 THR HA H 1 4.52 0.01 . . . . . . . 42 THR HA . 50593 1 220 . 1 . 1 42 42 THR C C 13 172.73 0.05 . . . . . . . 42 THR C . 50593 1 221 . 1 . 1 42 42 THR CA C 13 60.03 0.05 . . . . . . . 42 THR CA . 50593 1 222 . 1 . 1 42 42 THR CB C 13 69.77 0.05 . . . . . . . 42 THR CB . 50593 1 223 . 1 . 1 42 42 THR N N 15 119.29 0.05 . . . . . . . 42 THR N . 50593 1 224 . 1 . 1 43 43 PRO HA H 1 4.39 0.01 . . . . . . . 43 PRO HA . 50593 1 225 . 1 . 1 43 43 PRO C C 13 176.64 0.05 . . . . . . . 43 PRO C . 50593 1 226 . 1 . 1 43 43 PRO CA C 13 63.06 0.05 . . . . . . . 43 PRO CA . 50593 1 227 . 1 . 1 43 43 PRO CB C 13 32.14 0.05 . . . . . . . 43 PRO CB . 50593 1 228 . 1 . 1 44 44 GLU H H 1 8.53 0.01 . . . . . . . 44 GLU H . 50593 1 229 . 1 . 1 44 44 GLU HA H 1 4.5 0.01 . . . . . . . 44 GLU HA . 50593 1 230 . 1 . 1 44 44 GLU C C 13 174.64 0.05 . . . . . . . 44 GLU C . 50593 1 231 . 1 . 1 44 44 GLU CA C 13 54.47 0.05 . . . . . . . 44 GLU CA . 50593 1 232 . 1 . 1 44 44 GLU CB C 13 29.5 0.05 . . . . . . . 44 GLU CB . 50593 1 233 . 1 . 1 44 44 GLU N N 15 122.88 0.05 . . . . . . . 44 GLU N . 50593 1 234 . 1 . 1 45 45 PRO HA H 1 4.37 0.01 . . . . . . . 45 PRO HA . 50593 1 235 . 1 . 1 45 45 PRO C C 13 176.51 0.05 . . . . . . . 45 PRO C . 50593 1 236 . 1 . 1 45 45 PRO CA C 13 62.96 0.05 . . . . . . . 45 PRO CA . 50593 1 237 . 1 . 1 45 45 PRO CB C 13 32.12 0.05 . . . . . . . 45 PRO CB . 50593 1 238 . 1 . 1 46 46 ILE H H 1 8.32 0.01 . . . . . . . 46 ILE H . 50593 1 239 . 1 . 1 46 46 ILE HA H 1 4.1 0.01 . . . . . . . 46 ILE HA . 50593 1 240 . 1 . 1 46 46 ILE C C 13 176.03 0.05 . . . . . . . 46 ILE C . 50593 1 241 . 1 . 1 46 46 ILE CA C 13 61.01 0.05 . . . . . . . 46 ILE CA . 50593 1 242 . 1 . 1 46 46 ILE CB C 13 38.8 0.05 . . . . . . . 46 ILE CB . 50593 1 243 . 1 . 1 46 46 ILE N N 15 121.88 0.05 . . . . . . . 46 ILE N . 50593 1 244 . 1 . 1 47 47 ILE H H 1 8.43 0.01 . . . . . . . 47 ILE H . 50593 1 245 . 1 . 1 47 47 ILE HA H 1 4.16 0.01 . . . . . . . 47 ILE HA . 50593 1 246 . 1 . 1 47 47 ILE C C 13 175.88 0.05 . . . . . . . 47 ILE C . 50593 1 247 . 1 . 1 47 47 ILE CA C 13 60.7 0.05 . . . . . . . 47 ILE CA . 50593 1 248 . 1 . 1 47 47 ILE CB C 13 38.65 0.05 . . . . . . . 47 ILE CB . 50593 1 249 . 1 . 1 47 47 ILE N N 15 127.2 0.05 . . . . . . . 47 ILE N . 50593 1 250 . 1 . 1 48 48 ILE H H 1 8.46 0.01 . . . . . . . 48 ILE H . 50593 1 251 . 1 . 1 48 48 ILE HA H 1 4.15 0.01 . . . . . . . 48 ILE HA . 50593 1 252 . 1 . 1 48 48 ILE C C 13 176.03 0.05 . . . . . . . 48 ILE C . 50593 1 253 . 1 . 1 48 48 ILE CA C 13 60.59 0.05 . . . . . . . 48 ILE CA . 50593 1 254 . 1 . 1 48 48 ILE CB C 13 38.57 0.05 . . . . . . . 48 ILE CB . 50593 1 255 . 1 . 1 48 48 ILE N N 15 127.24 0.05 . . . . . . . 48 ILE N . 50593 1 256 . 1 . 1 49 49 GLU H H 1 8.64 0.01 . . . . . . . 49 GLU H . 50593 1 257 . 1 . 1 49 49 GLU HA H 1 4.28 0.01 . . . . . . . 49 GLU HA . 50593 1 258 . 1 . 1 49 49 GLU C C 13 176.16 0.05 . . . . . . . 49 GLU C . 50593 1 259 . 1 . 1 49 49 GLU CA C 13 56.38 0.05 . . . . . . . 49 GLU CA . 50593 1 260 . 1 . 1 49 49 GLU CB C 13 30.52 0.05 . . . . . . . 49 GLU CB . 50593 1 261 . 1 . 1 49 49 GLU N N 15 126.35 0.05 . . . . . . . 49 GLU N . 50593 1 262 . 1 . 1 50 50 GLU H H 1 8.55 0.01 . . . . . . . 50 GLU H . 50593 1 263 . 1 . 1 50 50 GLU HA H 1 4.27 0.01 . . . . . . . 50 GLU HA . 50593 1 264 . 1 . 1 50 50 GLU C C 13 176.26 0.05 . . . . . . . 50 GLU C . 50593 1 265 . 1 . 1 50 50 GLU CA C 13 56.51 0.05 . . . . . . . 50 GLU CA . 50593 1 266 . 1 . 1 50 50 GLU CB C 13 30.57 0.05 . . . . . . . 50 GLU CB . 50593 1 267 . 1 . 1 50 50 GLU N N 15 122.51 0.05 . . . . . . . 50 GLU N . 50593 1 268 . 1 . 1 51 51 GLU H H 1 8.58 0.01 . . . . . . . 51 GLU H . 50593 1 269 . 1 . 1 51 51 GLU HA H 1 4.27 0.01 . . . . . . . 51 GLU HA . 50593 1 270 . 1 . 1 51 51 GLU C C 13 176.44 0.05 . . . . . . . 51 GLU C . 50593 1 271 . 1 . 1 51 51 GLU CA C 13 56.24 0.05 . . . . . . . 51 GLU CA . 50593 1 272 . 1 . 1 51 51 GLU CB C 13 30.66 0.05 . . . . . . . 51 GLU CB . 50593 1 273 . 1 . 1 51 51 GLU N N 15 122.44 0.05 . . . . . . . 51 GLU N . 50593 1 274 . 1 . 1 52 52 GLU H H 1 8.56 0.01 . . . . . . . 52 GLU H . 50593 1 275 . 1 . 1 52 52 GLU HA H 1 4.27 0.01 . . . . . . . 52 GLU HA . 50593 1 276 . 1 . 1 52 52 GLU C C 13 176.58 0.05 . . . . . . . 52 GLU C . 50593 1 277 . 1 . 1 52 52 GLU CA C 13 56.4 0.05 . . . . . . . 52 GLU CA . 50593 1 278 . 1 . 1 52 52 GLU CB C 13 30.49 0.05 . . . . . . . 52 GLU CB . 50593 1 279 . 1 . 1 52 52 GLU N N 15 122.49 0.05 . . . . . . . 52 GLU N . 50593 1 280 . 1 . 1 53 53 GLU H H 1 8.63 0.01 . . . . . . . 53 GLU H . 50593 1 281 . 1 . 1 53 53 GLU HA H 1 4.23 0.01 . . . . . . . 53 GLU HA . 50593 1 282 . 1 . 1 53 53 GLU C C 13 176.34 0.05 . . . . . . . 53 GLU C . 50593 1 283 . 1 . 1 53 53 GLU CA C 13 56.82 0.05 . . . . . . . 53 GLU CA . 50593 1 284 . 1 . 1 53 53 GLU CB C 13 30.53 0.05 . . . . . . . 53 GLU CB . 50593 1 285 . 1 . 1 53 53 GLU N N 15 122.83 0.05 . . . . . . . 53 GLU N . 50593 1 286 . 1 . 1 54 54 ASP H H 1 8.58 0.01 . . . . . . . 54 ASP H . 50593 1 287 . 1 . 1 54 54 ASP HA H 1 4.59 0.01 . . . . . . . 54 ASP HA . 50593 1 288 . 1 . 1 54 54 ASP C C 13 176.46 0.05 . . . . . . . 54 ASP C . 50593 1 289 . 1 . 1 54 54 ASP CA C 13 54.47 0.05 . . . . . . . 54 ASP CA . 50593 1 290 . 1 . 1 54 54 ASP CB C 13 41.07 0.05 . . . . . . . 54 ASP CB . 50593 1 291 . 1 . 1 54 54 ASP N N 15 121.84 0.05 . . . . . . . 54 ASP N . 50593 1 292 . 1 . 1 55 55 SER H H 1 8.34 0.01 . . . . . . . 55 SER H . 50593 1 293 . 1 . 1 55 55 SER HA H 1 4.39 0.01 . . . . . . . 55 SER HA . 50593 1 294 . 1 . 1 55 55 SER C C 13 175 0.05 . . . . . . . 55 SER C . 50593 1 295 . 1 . 1 55 55 SER CA C 13 58.79 0.05 . . . . . . . 55 SER CA . 50593 1 296 . 1 . 1 55 55 SER CB C 13 63.73 0.05 . . . . . . . 55 SER CB . 50593 1 297 . 1 . 1 55 55 SER N N 15 116.34 0.05 . . . . . . . 55 SER N . 50593 1 298 . 1 . 1 56 56 ILE H H 1 8.2 0.01 . . . . . . . 56 ILE H . 50593 1 299 . 1 . 1 56 56 ILE HA H 1 4.15 0.01 . . . . . . . 56 ILE HA . 50593 1 300 . 1 . 1 56 56 ILE C C 13 176.77 0.05 . . . . . . . 56 ILE C . 50593 1 301 . 1 . 1 56 56 ILE CA C 13 61.71 0.05 . . . . . . . 56 ILE CA . 50593 1 302 . 1 . 1 56 56 ILE CB C 13 38.58 0.05 . . . . . . . 56 ILE CB . 50593 1 303 . 1 . 1 56 56 ILE N N 15 122.34 0.05 . . . . . . . 56 ILE N . 50593 1 304 . 1 . 1 57 57 SER H H 1 8.41 0.01 . . . . . . . 57 SER H . 50593 1 305 . 1 . 1 57 57 SER HA H 1 4.38 0.01 . . . . . . . 57 SER HA . 50593 1 306 . 1 . 1 57 57 SER C C 13 174.75 0.05 . . . . . . . 57 SER C . 50593 1 307 . 1 . 1 57 57 SER CA C 13 58.64 0.05 . . . . . . . 57 SER CA . 50593 1 308 . 1 . 1 57 57 SER CB C 13 63.63 0.05 . . . . . . . 57 SER CB . 50593 1 309 . 1 . 1 57 57 SER N N 15 119.37 0.05 . . . . . . . 57 SER N . 50593 1 310 . 1 . 1 58 58 LEU H H 1 8.29 0.01 . . . . . . . 58 LEU H . 50593 1 311 . 1 . 1 58 58 LEU HA H 1 4.34 0.01 . . . . . . . 58 LEU HA . 50593 1 312 . 1 . 1 58 58 LEU C C 13 177.64 0.05 . . . . . . . 58 LEU C . 50593 1 313 . 1 . 1 58 58 LEU CA C 13 55.31 0.05 . . . . . . . 58 LEU CA . 50593 1 314 . 1 . 1 58 58 LEU CB C 13 42.06 0.05 . . . . . . . 58 LEU CB . 50593 1 315 . 1 . 1 58 58 LEU N N 15 124.09 0.05 . . . . . . . 58 LEU N . 50593 1 316 . 1 . 1 59 59 LEU H H 1 8.18 0.01 . . . . . . . 59 LEU H . 50593 1 317 . 1 . 1 59 59 LEU HA H 1 4.34 0.01 . . . . . . . 59 LEU HA . 50593 1 318 . 1 . 1 59 59 LEU C C 13 177.59 0.05 . . . . . . . 59 LEU C . 50593 1 319 . 1 . 1 59 59 LEU CA C 13 55.18 0.05 . . . . . . . 59 LEU CA . 50593 1 320 . 1 . 1 59 59 LEU CB C 13 42.16 0.05 . . . . . . . 59 LEU CB . 50593 1 321 . 1 . 1 59 59 LEU N N 15 121.93 0.05 . . . . . . . 59 LEU N . 50593 1 322 . 1 . 1 60 60 SER H H 1 8.24 0.01 . . . . . . . 60 SER H . 50593 1 323 . 1 . 1 60 60 SER HA H 1 4.44 0.01 . . . . . . . 60 SER HA . 50593 1 324 . 1 . 1 60 60 SER C C 13 174.24 0.05 . . . . . . . 60 SER C . 50593 1 325 . 1 . 1 60 60 SER CA C 13 58.44 0.05 . . . . . . . 60 SER CA . 50593 1 326 . 1 . 1 60 60 SER CB C 13 63.91 0.05 . . . . . . . 60 SER CB . 50593 1 327 . 1 . 1 60 60 SER N N 15 116 0.05 . . . . . . . 60 SER N . 50593 1 328 . 1 . 1 61 61 ASP H H 1 8.39 0.01 . . . . . . . 61 ASP H . 50593 1 329 . 1 . 1 61 61 ASP HA H 1 4.67 0.01 . . . . . . . 61 ASP HA . 50593 1 330 . 1 . 1 61 61 ASP C C 13 176.33 0.05 . . . . . . . 61 ASP C . 50593 1 331 . 1 . 1 61 61 ASP CA C 13 54.26 0.05 . . . . . . . 61 ASP CA . 50593 1 332 . 1 . 1 61 61 ASP CB C 13 41.33 0.05 . . . . . . . 61 ASP CB . 50593 1 333 . 1 . 1 61 61 ASP N N 15 122.11 0.05 . . . . . . . 61 ASP N . 50593 1 334 . 1 . 1 62 62 GLY H H 1 8.18 0.01 . . . . . . . 62 GLY H . 50593 1 335 . 1 . 1 62 62 GLY HA2 H 1 4.09 0.01 . . . . . . . 62 GLY HA . 50593 1 336 . 1 . 1 62 62 GLY HA3 H 1 4.09 0.01 . . . . . . . 62 GLY HA . 50593 1 337 . 1 . 1 62 62 GLY C C 13 171.95 0.05 . . . . . . . 62 GLY C . 50593 1 338 . 1 . 1 62 62 GLY CA C 13 44.77 0.05 . . . . . . . 62 GLY CA . 50593 1 339 . 1 . 1 62 62 GLY N N 15 108.68 0.05 . . . . . . . 62 GLY N . 50593 1 340 . 1 . 1 63 63 PRO HA H 1 4.46 0.01 . . . . . . . 63 PRO HA . 50593 1 341 . 1 . 1 63 63 PRO C C 13 177.57 0.05 . . . . . . . 63 PRO C . 50593 1 342 . 1 . 1 63 63 PRO CA C 13 63.31 0.05 . . . . . . . 63 PRO CA . 50593 1 343 . 1 . 1 63 63 PRO CB C 13 32.19 0.05 . . . . . . . 63 PRO CB . 50593 1 344 . 1 . 1 64 64 THR H H 1 8.32 0.01 . . . . . . . 64 THR H . 50593 1 345 . 1 . 1 64 64 THR HA H 1 4.27 0.01 . . . . . . . 64 THR HA . 50593 1 346 . 1 . 1 64 64 THR C C 13 174.53 0.05 . . . . . . . 64 THR C . 50593 1 347 . 1 . 1 64 64 THR CA C 13 62.13 0.05 . . . . . . . 64 THR CA . 50593 1 348 . 1 . 1 64 64 THR CB C 13 69.71 0.05 . . . . . . . 64 THR CB . 50593 1 349 . 1 . 1 64 64 THR N N 15 113.61 0.05 . . . . . . . 64 THR N . 50593 1 350 . 1 . 1 65 65 HIS H H 1 8.32 0.01 . . . . . . . 65 HIS H . 50593 1 351 . 1 . 1 65 65 HIS HA H 1 4.62 0.01 . . . . . . . 65 HIS HA . 50593 1 352 . 1 . 1 65 65 HIS C C 13 174.8 0.05 . . . . . . . 65 HIS C . 50593 1 353 . 1 . 1 65 65 HIS CA C 13 55.97 0.05 . . . . . . . 65 HIS CA . 50593 1 354 . 1 . 1 65 65 HIS CB C 13 30.33 0.05 . . . . . . . 65 HIS CB . 50593 1 355 . 1 . 1 65 65 HIS N N 15 121.13 0.05 . . . . . . . 65 HIS N . 50593 1 356 . 1 . 1 66 66 GLN H H 1 8.39 0.01 . . . . . . . 66 GLN H . 50593 1 357 . 1 . 1 66 66 GLN HA H 1 4.3 0.01 . . . . . . . 66 GLN HA . 50593 1 358 . 1 . 1 66 66 GLN C C 13 175.59 0.05 . . . . . . . 66 GLN C . 50593 1 359 . 1 . 1 66 66 GLN CA C 13 55.75 0.05 . . . . . . . 66 GLN CA . 50593 1 360 . 1 . 1 66 66 GLN CB C 13 29.64 0.05 . . . . . . . 66 GLN CB . 50593 1 361 . 1 . 1 66 66 GLN N N 15 121.89 0.05 . . . . . . . 66 GLN N . 50593 1 362 . 1 . 1 67 67 VAL H H 1 8.36 0.01 . . . . . . . 67 VAL H . 50593 1 363 . 1 . 1 67 67 VAL HA H 1 4.04 0.01 . . . . . . . 67 VAL HA . 50593 1 364 . 1 . 1 67 67 VAL C C 13 176.02 0.05 . . . . . . . 67 VAL C . 50593 1 365 . 1 . 1 67 67 VAL CA C 13 62.44 0.05 . . . . . . . 67 VAL CA . 50593 1 366 . 1 . 1 67 67 VAL CB C 13 32.64 0.05 . . . . . . . 67 VAL CB . 50593 1 367 . 1 . 1 67 67 VAL N N 15 122.52 0.05 . . . . . . . 67 VAL N . 50593 1 368 . 1 . 1 68 68 LEU H H 1 8.43 0.01 . . . . . . . 68 LEU H . 50593 1 369 . 1 . 1 68 68 LEU HA H 1 4.34 0.01 . . . . . . . 68 LEU HA . 50593 1 370 . 1 . 1 68 68 LEU C C 13 177.01 0.05 . . . . . . . 68 LEU C . 50593 1 371 . 1 . 1 68 68 LEU CA C 13 55.01 0.05 . . . . . . . 68 LEU CA . 50593 1 372 . 1 . 1 68 68 LEU CB C 13 42.45 0.05 . . . . . . . 68 LEU CB . 50593 1 373 . 1 . 1 68 68 LEU N N 15 126.49 0.05 . . . . . . . 68 LEU N . 50593 1 374 . 1 . 1 69 69 GLN H H 1 8.49 0.01 . . . . . . . 69 GLN H . 50593 1 375 . 1 . 1 69 69 GLN HA H 1 4.34 0.01 . . . . . . . 69 GLN HA . 50593 1 376 . 1 . 1 69 69 GLN C C 13 175.73 0.05 . . . . . . . 69 GLN C . 50593 1 377 . 1 . 1 69 69 GLN CA C 13 55.58 0.05 . . . . . . . 69 GLN CA . 50593 1 378 . 1 . 1 69 69 GLN CB C 13 29.5 0.05 . . . . . . . 69 GLN CB . 50593 1 379 . 1 . 1 69 69 GLN N N 15 122.42 0.05 . . . . . . . 69 GLN N . 50593 1 380 . 1 . 1 70 70 VAL H H 1 8.31 0.01 . . . . . . . 70 VAL H . 50593 1 381 . 1 . 1 70 70 VAL HA H 1 4.09 0.01 . . . . . . . 70 VAL HA . 50593 1 382 . 1 . 1 70 70 VAL C C 13 176.2 0.05 . . . . . . . 70 VAL C . 50593 1 383 . 1 . 1 70 70 VAL CA C 13 62.24 0.05 . . . . . . . 70 VAL CA . 50593 1 384 . 1 . 1 70 70 VAL CB C 13 32.97 0.05 . . . . . . . 70 VAL CB . 50593 1 385 . 1 . 1 70 70 VAL N N 15 121.88 0.05 . . . . . . . 70 VAL N . 50593 1 386 . 1 . 1 71 71 GLU H H 1 8.59 0.01 . . . . . . . 71 GLU H . 50593 1 387 . 1 . 1 71 71 GLU HA H 1 4.23 0.01 . . . . . . . 71 GLU HA . 50593 1 388 . 1 . 1 71 71 GLU C C 13 176.18 0.05 . . . . . . . 71 GLU C . 50593 1 389 . 1 . 1 71 71 GLU CA C 13 56.65 0.05 . . . . . . . 71 GLU CA . 50593 1 390 . 1 . 1 71 71 GLU CB C 13 30.25 0.05 . . . . . . . 71 GLU CB . 50593 1 391 . 1 . 1 71 71 GLU N N 15 124.81 0.05 . . . . . . . 71 GLU N . 50593 1 392 . 1 . 1 72 72 ALA H H 1 8.4 0.01 . . . . . . . 72 ALA H . 50593 1 393 . 1 . 1 72 72 ALA HA H 1 4.23 0.01 . . . . . . . 72 ALA HA . 50593 1 394 . 1 . 1 72 72 ALA C C 13 177.42 0.05 . . . . . . . 72 ALA C . 50593 1 395 . 1 . 1 72 72 ALA CA C 13 52.62 0.05 . . . . . . . 72 ALA CA . 50593 1 396 . 1 . 1 72 72 ALA CB C 13 19.38 0.05 . . . . . . . 72 ALA CB . 50593 1 397 . 1 . 1 72 72 ALA N N 15 124.76 0.05 . . . . . . . 72 ALA N . 50593 1 398 . 1 . 1 73 73 ASP H H 1 8.36 0.01 . . . . . . . 73 ASP H . 50593 1 399 . 1 . 1 73 73 ASP HA H 1 4.57 0.01 . . . . . . . 73 ASP HA . 50593 1 400 . 1 . 1 73 73 ASP C C 13 176.54 0.05 . . . . . . . 73 ASP C . 50593 1 401 . 1 . 1 73 73 ASP CA C 13 54.25 0.05 . . . . . . . 73 ASP CA . 50593 1 402 . 1 . 1 73 73 ASP CB C 13 41.09 0.05 . . . . . . . 73 ASP CB . 50593 1 403 . 1 . 1 73 73 ASP N N 15 119.57 0.05 . . . . . . . 73 ASP N . 50593 1 404 . 1 . 1 74 74 ILE H H 1 8.01 0.01 . . . . . . . 74 ILE H . 50593 1 405 . 1 . 1 74 74 ILE HA H 1 4.08 0.01 . . . . . . . 74 ILE HA . 50593 1 406 . 1 . 1 74 74 ILE C C 13 176.29 0.05 . . . . . . . 74 ILE C . 50593 1 407 . 1 . 1 74 74 ILE CA C 13 61.61 0.05 . . . . . . . 74 ILE CA . 50593 1 408 . 1 . 1 74 74 ILE CB C 13 38.54 0.05 . . . . . . . 74 ILE CB . 50593 1 409 . 1 . 1 74 74 ILE N N 15 120.33 0.05 . . . . . . . 74 ILE N . 50593 1 410 . 1 . 1 75 75 HIS H H 1 8.48 0.01 . . . . . . . 75 HIS H . 50593 1 411 . 1 . 1 75 75 HIS HA H 1 4.71 0.01 . . . . . . . 75 HIS HA . 50593 1 412 . 1 . 1 75 75 HIS C C 13 175.23 0.05 . . . . . . . 75 HIS C . 50593 1 413 . 1 . 1 75 75 HIS CA C 13 55.66 0.05 . . . . . . . 75 HIS CA . 50593 1 414 . 1 . 1 75 75 HIS CB C 13 29.94 0.05 . . . . . . . 75 HIS CB . 50593 1 415 . 1 . 1 75 75 HIS N N 15 121.94 0.05 . . . . . . . 75 HIS N . 50593 1 416 . 1 . 1 76 76 GLY H H 1 8.2 0.01 . . . . . . . 76 GLY H . 50593 1 417 . 1 . 1 76 76 GLY HA2 H 1 4.07 0.01 . . . . . . . 76 GLY HA . 50593 1 418 . 1 . 1 76 76 GLY HA3 H 1 4.07 0.01 . . . . . . . 76 GLY HA . 50593 1 419 . 1 . 1 76 76 GLY C C 13 171.09 0.05 . . . . . . . 76 GLY C . 50593 1 420 . 1 . 1 76 76 GLY CA C 13 44.45 0.05 . . . . . . . 76 GLY CA . 50593 1 421 . 1 . 1 76 76 GLY N N 15 109.71 0.05 . . . . . . . 76 GLY N . 50593 1 422 . 1 . 1 78 78 PRO C C 13 176.36 0.05 . . . . . . . 78 PRO C . 50593 1 423 . 1 . 1 78 78 PRO CA C 13 63.23 0.05 . . . . . . . 78 PRO CA . 50593 1 424 . 1 . 1 78 78 PRO CB C 13 30.5 0.05 . . . . . . . 78 PRO CB . 50593 1 425 . 1 . 1 79 79 SER H H 1 8.47 0.01 . . . . . . . 79 SER H . 50593 1 426 . 1 . 1 79 79 SER HA H 1 4.43 0.01 . . . . . . . 79 SER HA . 50593 1 427 . 1 . 1 79 79 SER C C 13 174.82 0.05 . . . . . . . 79 SER C . 50593 1 428 . 1 . 1 79 79 SER CA C 13 58.26 0.05 . . . . . . . 79 SER CA . 50593 1 429 . 1 . 1 79 79 SER CB C 13 63.88 0.05 . . . . . . . 79 SER CB . 50593 1 430 . 1 . 1 79 79 SER N N 15 119.03 0.05 . . . . . . . 79 SER N . 50593 1 431 . 1 . 1 80 80 VAL H H 1 8.28 0.01 . . . . . . . 80 VAL H . 50593 1 432 . 1 . 1 80 80 VAL HA H 1 4.18 0.01 . . . . . . . 80 VAL HA . 50593 1 433 . 1 . 1 80 80 VAL C C 13 176.3 0.05 . . . . . . . 80 VAL C . 50593 1 434 . 1 . 1 80 80 VAL CA C 13 62.26 0.05 . . . . . . . 80 VAL CA . 50593 1 435 . 1 . 1 80 80 VAL CB C 13 32.85 0.05 . . . . . . . 80 VAL CB . 50593 1 436 . 1 . 1 80 80 VAL N N 15 121.42 0.05 . . . . . . . 80 VAL N . 50593 1 437 . 1 . 1 81 81 SER HA H 1 4.42 0.01 . . . . . . . 81 SER HA . 50593 1 438 . 1 . 1 81 81 SER C C 13 174.77 0.05 . . . . . . . 81 SER C . 50593 1 439 . 1 . 1 81 81 SER CA C 13 58.17 0.05 . . . . . . . 81 SER CA . 50593 1 440 . 1 . 1 82 82 SER HA H 1 4.39 0.01 . . . . . . . 82 SER HA . 50593 1 441 . 1 . 1 82 82 SER C C 13 174.77 0.05 . . . . . . . 82 SER C . 50593 1 442 . 1 . 1 82 82 SER CA C 13 58.46 0.05 . . . . . . . 82 SER CA . 50593 1 443 . 1 . 1 83 83 SER HA H 1 4.39 0.01 . . . . . . . 83 SER HA . 50593 1 444 . 1 . 1 83 83 SER C C 13 174.72 0.05 . . . . . . . 83 SER C . 50593 1 445 . 1 . 1 83 83 SER CA C 13 58.74 0.05 . . . . . . . 83 SER CA . 50593 1 446 . 1 . 1 84 84 SER HA H 1 4.38 0.01 . . . . . . . 84 SER HA . 50593 1 447 . 1 . 1 84 84 SER C C 13 174.17 0.05 . . . . . . . 84 SER C . 50593 1 448 . 1 . 1 84 84 SER CA C 13 58.74 0.05 . . . . . . . 84 SER CA . 50593 1 449 . 1 . 1 84 84 SER CB C 13 63.71 0.05 . . . . . . . 84 SER CB . 50593 1 450 . 1 . 1 85 85 TRP H H 1 8.01 0.01 . . . . . . . 85 TRP H . 50593 1 451 . 1 . 1 85 85 TRP HA H 1 4.69 0.01 . . . . . . . 85 TRP HA . 50593 1 452 . 1 . 1 85 85 TRP C C 13 175.98 0.05 . . . . . . . 85 TRP C . 50593 1 453 . 1 . 1 85 85 TRP CA C 13 57.24 0.05 . . . . . . . 85 TRP CA . 50593 1 454 . 1 . 1 85 85 TRP CB C 13 29.64 0.05 . . . . . . . 85 TRP CB . 50593 1 455 . 1 . 1 85 85 TRP N N 15 122.23 0.05 . . . . . . . 85 TRP N . 50593 1 456 . 1 . 1 86 86 SER H H 1 7.99 0.01 . . . . . . . 86 SER H . 50593 1 457 . 1 . 1 86 86 SER HA H 1 3.65 0.01 . . . . . . . 86 SER HA . 50593 1 458 . 1 . 1 86 86 SER C C 13 173.5 0.05 . . . . . . . 86 SER C . 50593 1 459 . 1 . 1 86 86 SER CA C 13 57.95 0.05 . . . . . . . 86 SER CA . 50593 1 460 . 1 . 1 86 86 SER CB C 13 63.94 0.05 . . . . . . . 86 SER CB . 50593 1 461 . 1 . 1 86 86 SER N N 15 117.25 0.05 . . . . . . . 86 SER N . 50593 1 462 . 1 . 1 87 87 ILE H H 1 8.04 0.01 . . . . . . . 87 ILE H . 50593 1 463 . 1 . 1 87 87 ILE HA H 1 4.32 0.01 . . . . . . . 87 ILE HA . 50593 1 464 . 1 . 1 87 87 ILE C C 13 174.49 0.05 . . . . . . . 87 ILE C . 50593 1 465 . 1 . 1 87 87 ILE CA C 13 58.92 0.05 . . . . . . . 87 ILE CA . 50593 1 466 . 1 . 1 87 87 ILE CB C 13 38.7 0.05 . . . . . . . 87 ILE CB . 50593 1 467 . 1 . 1 87 87 ILE N N 15 123.53 0.05 . . . . . . . 87 ILE N . 50593 1 468 . 1 . 1 88 88 PRO HA H 1 4.21 0.01 . . . . . . . 88 PRO HA . 50593 1 469 . 1 . 1 88 88 PRO C C 13 176.49 0.05 . . . . . . . 88 PRO C . 50593 1 470 . 1 . 1 88 88 PRO CA C 13 62.2 0.05 . . . . . . . 88 PRO CA . 50593 1 471 . 1 . 1 88 88 PRO CB C 13 32.08 0.05 . . . . . . . 88 PRO CB . 50593 1 472 . 1 . 1 89 89 HIS H H 1 8.47 0.01 . . . . . . . 89 HIS H . 50593 1 473 . 1 . 1 89 89 HIS HA H 1 4.55 0.01 . . . . . . . 89 HIS HA . 50593 1 474 . 1 . 1 89 89 HIS C C 13 174.88 0.05 . . . . . . . 89 HIS C . 50593 1 475 . 1 . 1 89 89 HIS CA C 13 55.81 0.05 . . . . . . . 89 HIS CA . 50593 1 476 . 1 . 1 89 89 HIS CB C 13 30.33 0.05 . . . . . . . 89 HIS CB . 50593 1 477 . 1 . 1 89 89 HIS N N 15 119.28 0.05 . . . . . . . 89 HIS N . 50593 1 478 . 1 . 1 90 90 ALA H H 1 8.42 0.01 . . . . . . . 90 ALA H . 50593 1 479 . 1 . 1 90 90 ALA HA H 1 4.28 0.01 . . . . . . . 90 ALA HA . 50593 1 480 . 1 . 1 90 90 ALA C C 13 177.89 0.05 . . . . . . . 90 ALA C . 50593 1 481 . 1 . 1 90 90 ALA CA C 13 52.82 0.05 . . . . . . . 90 ALA CA . 50593 1 482 . 1 . 1 90 90 ALA CB C 13 19.3 0.05 . . . . . . . 90 ALA CB . 50593 1 483 . 1 . 1 90 90 ALA N N 15 125.81 0.05 . . . . . . . 90 ALA N . 50593 1 484 . 1 . 1 91 91 SER H H 1 8.53 0.01 . . . . . . . 91 SER H . 50593 1 485 . 1 . 1 91 91 SER HA H 1 4.39 0.01 . . . . . . . 91 SER HA . 50593 1 486 . 1 . 1 91 91 SER C C 13 174.54 0.05 . . . . . . . 91 SER C . 50593 1 487 . 1 . 1 91 91 SER CA C 13 58.56 0.05 . . . . . . . 91 SER CA . 50593 1 488 . 1 . 1 91 91 SER CB C 13 63.91 0.05 . . . . . . . 91 SER CB . 50593 1 489 . 1 . 1 91 91 SER N N 15 114.85 0.05 . . . . . . . 91 SER N . 50593 1 490 . 1 . 1 92 92 ASP H H 1 8.35 0.01 . . . . . . . 92 ASP H . 50593 1 491 . 1 . 1 92 92 ASP HA H 1 4.52 0.01 . . . . . . . 92 ASP HA . 50593 1 492 . 1 . 1 92 92 ASP C C 13 175.86 0.05 . . . . . . . 92 ASP C . 50593 1 493 . 1 . 1 92 92 ASP CA C 13 54.62 0.05 . . . . . . . 92 ASP CA . 50593 1 494 . 1 . 1 92 92 ASP CB C 13 40.83 0.05 . . . . . . . 92 ASP CB . 50593 1 495 . 1 . 1 92 92 ASP N N 15 121.75 0.05 . . . . . . . 92 ASP N . 50593 1 496 . 1 . 1 93 93 PHE H H 1 8.02 0.01 . . . . . . . 93 PHE H . 50593 1 497 . 1 . 1 93 93 PHE HA H 1 4.55 0.01 . . . . . . . 93 PHE HA . 50593 1 498 . 1 . 1 93 93 PHE C C 13 175.24 0.05 . . . . . . . 93 PHE C . 50593 1 499 . 1 . 1 93 93 PHE CA C 13 57.74 0.05 . . . . . . . 93 PHE CA . 50593 1 500 . 1 . 1 93 93 PHE CB C 13 39.77 0.05 . . . . . . . 93 PHE CB . 50593 1 501 . 1 . 1 93 93 PHE N N 15 119.19 0.05 . . . . . . . 93 PHE N . 50593 1 502 . 1 . 1 94 94 ASP H H 1 8.26 0.01 . . . . . . . 94 ASP H . 50593 1 503 . 1 . 1 94 94 ASP HA H 1 4.59 0.01 . . . . . . . 94 ASP HA . 50593 1 504 . 1 . 1 94 94 ASP C C 13 176.4 0.05 . . . . . . . 94 ASP C . 50593 1 505 . 1 . 1 94 94 ASP CA C 13 54.01 0.05 . . . . . . . 94 ASP CA . 50593 1 506 . 1 . 1 94 94 ASP CB C 13 41.16 0.05 . . . . . . . 94 ASP CB . 50593 1 507 . 1 . 1 94 94 ASP N N 15 122.23 0.05 . . . . . . . 94 ASP N . 50593 1 508 . 1 . 1 95 95 VAL H H 1 8.14 0.01 . . . . . . . 95 VAL H . 50593 1 509 . 1 . 1 95 95 VAL HA H 1 3.99 0.01 . . . . . . . 95 VAL HA . 50593 1 510 . 1 . 1 95 95 VAL C C 13 176.42 0.05 . . . . . . . 95 VAL C . 50593 1 511 . 1 . 1 95 95 VAL CA C 13 63.03 0.05 . . . . . . . 95 VAL CA . 50593 1 512 . 1 . 1 95 95 VAL CB C 13 32.59 0.05 . . . . . . . 95 VAL CB . 50593 1 513 . 1 . 1 95 95 VAL N N 15 120.53 0.05 . . . . . . . 95 VAL N . 50593 1 514 . 1 . 1 96 96 ASP H H 1 8.41 0.01 . . . . . . . 96 ASP H . 50593 1 515 . 1 . 1 96 96 ASP HA H 1 4.6 0.01 . . . . . . . 96 ASP HA . 50593 1 516 . 1 . 1 96 96 ASP C C 13 176.86 0.05 . . . . . . . 96 ASP C . 50593 1 517 . 1 . 1 96 96 ASP CA C 13 54.99 0.05 . . . . . . . 96 ASP CA . 50593 1 518 . 1 . 1 96 96 ASP CB C 13 41.01 0.05 . . . . . . . 96 ASP CB . 50593 1 519 . 1 . 1 96 96 ASP N N 15 122.44 0.05 . . . . . . . 96 ASP N . 50593 1 520 . 1 . 1 97 97 SER H H 1 8.15 0.01 . . . . . . . 97 SER H . 50593 1 521 . 1 . 1 97 97 SER HA H 1 4.22 0.01 . . . . . . . 97 SER HA . 50593 1 522 . 1 . 1 97 97 SER C C 13 174.84 0.05 . . . . . . . 97 SER C . 50593 1 523 . 1 . 1 97 97 SER CA C 13 59.2 0.05 . . . . . . . 97 SER CA . 50593 1 524 . 1 . 1 97 97 SER CB C 13 63.64 0.05 . . . . . . . 97 SER CB . 50593 1 525 . 1 . 1 97 97 SER N N 15 116 0.05 . . . . . . . 97 SER N . 50593 1 526 . 1 . 1 98 98 LEU H H 1 8.14 0.01 . . . . . . . 98 LEU H . 50593 1 527 . 1 . 1 98 98 LEU HA H 1 4.31 0.01 . . . . . . . 98 LEU HA . 50593 1 528 . 1 . 1 98 98 LEU C C 13 177.73 0.05 . . . . . . . 98 LEU C . 50593 1 529 . 1 . 1 98 98 LEU CA C 13 55.59 0.05 . . . . . . . 98 LEU CA . 50593 1 530 . 1 . 1 98 98 LEU CB C 13 42.13 0.05 . . . . . . . 98 LEU CB . 50593 1 531 . 1 . 1 98 98 LEU N N 15 122.81 0.05 . . . . . . . 98 LEU N . 50593 1 532 . 1 . 1 99 99 SER H H 1 8.27 0.01 . . . . . . . 99 SER H . 50593 1 533 . 1 . 1 99 99 SER HA H 1 4.41 0.01 . . . . . . . 99 SER HA . 50593 1 534 . 1 . 1 99 99 SER C C 13 174.85 0.05 . . . . . . . 99 SER C . 50593 1 535 . 1 . 1 99 99 SER CA C 13 58.68 0.05 . . . . . . . 99 SER CA . 50593 1 536 . 1 . 1 99 99 SER CB C 13 63.75 0.05 . . . . . . . 99 SER CB . 50593 1 537 . 1 . 1 99 99 SER N N 15 116.2 0.05 . . . . . . . 99 SER N . 50593 1 538 . 1 . 1 100 100 ILE H H 1 8.09 0.01 . . . . . . . 100 ILE H . 50593 1 539 . 1 . 1 100 100 ILE HA H 1 4.15 0.01 . . . . . . . 100 ILE HA . 50593 1 540 . 1 . 1 100 100 ILE C C 13 176.48 0.05 . . . . . . . 100 ILE C . 50593 1 541 . 1 . 1 100 100 ILE CA C 13 61.57 0.05 . . . . . . . 100 ILE CA . 50593 1 542 . 1 . 1 100 100 ILE CB C 13 38.47 0.05 . . . . . . . 100 ILE CB . 50593 1 543 . 1 . 1 100 100 ILE N N 15 122.06 0.05 . . . . . . . 100 ILE N . 50593 1 544 . 1 . 1 101 101 LEU H H 1 8.19 0.01 . . . . . . . 101 LEU H . 50593 1 545 . 1 . 1 101 101 LEU HA H 1 4.3 0.01 . . . . . . . 101 LEU HA . 50593 1 546 . 1 . 1 101 101 LEU C C 13 177.32 0.05 . . . . . . . 101 LEU C . 50593 1 547 . 1 . 1 101 101 LEU CA C 13 55.5 0.05 . . . . . . . 101 LEU CA . 50593 1 548 . 1 . 1 101 101 LEU CB C 13 42.23 0.05 . . . . . . . 101 LEU CB . 50593 1 549 . 1 . 1 101 101 LEU N N 15 124.72 0.05 . . . . . . . 101 LEU N . 50593 1 550 . 1 . 1 102 102 ASP H H 1 8.28 0.01 . . . . . . . 102 ASP H . 50593 1 551 . 1 . 1 102 102 ASP HA H 1 4.61 0.01 . . . . . . . 102 ASP HA . 50593 1 552 . 1 . 1 102 102 ASP C C 13 176.61 0.05 . . . . . . . 102 ASP C . 50593 1 553 . 1 . 1 102 102 ASP CA C 13 54.69 0.05 . . . . . . . 102 ASP CA . 50593 1 554 . 1 . 1 102 102 ASP CB C 13 41.22 0.05 . . . . . . . 102 ASP CB . 50593 1 555 . 1 . 1 102 102 ASP N N 15 120.78 0.05 . . . . . . . 102 ASP N . 50593 1 556 . 1 . 1 103 103 THR H H 1 8.05 0.01 . . . . . . . 103 THR H . 50593 1 557 . 1 . 1 103 103 THR HA H 1 4.28 0.01 . . . . . . . 103 THR HA . 50593 1 558 . 1 . 1 103 103 THR C C 13 174.83 0.05 . . . . . . . 103 THR C . 50593 1 559 . 1 . 1 103 103 THR CA C 13 62.05 0.05 . . . . . . . 103 THR CA . 50593 1 560 . 1 . 1 103 103 THR CB C 13 69.94 0.05 . . . . . . . 103 THR CB . 50593 1 561 . 1 . 1 103 103 THR N N 15 113.56 0.05 . . . . . . . 103 THR N . 50593 1 562 . 1 . 1 104 104 LEU H H 1 8.29 0.01 . . . . . . . 104 LEU H . 50593 1 563 . 1 . 1 104 104 LEU HA H 1 4.24 0.01 . . . . . . . 104 LEU HA . 50593 1 564 . 1 . 1 104 104 LEU C C 13 177.71 0.05 . . . . . . . 104 LEU C . 50593 1 565 . 1 . 1 104 104 LEU CA C 13 55.54 0.05 . . . . . . . 104 LEU CA . 50593 1 566 . 1 . 1 104 104 LEU CB C 13 42.12 0.05 . . . . . . . 104 LEU CB . 50593 1 567 . 1 . 1 104 104 LEU N N 15 123.71 0.05 . . . . . . . 104 LEU N . 50593 1 568 . 1 . 1 105 105 GLU H H 1 8.44 0.01 . . . . . . . 105 GLU H . 50593 1 569 . 1 . 1 105 105 GLU HA H 1 4.2 0.01 . . . . . . . 105 GLU HA . 50593 1 570 . 1 . 1 105 105 GLU C C 13 177.24 0.05 . . . . . . . 105 GLU C . 50593 1 571 . 1 . 1 105 105 GLU CA C 13 57.09 0.05 . . . . . . . 105 GLU CA . 50593 1 572 . 1 . 1 105 105 GLU CB C 13 29.91 0.05 . . . . . . . 105 GLU CB . 50593 1 573 . 1 . 1 105 105 GLU N N 15 121.26 0.05 . . . . . . . 105 GLU N . 50593 1 574 . 1 . 1 106 106 GLY H H 1 8.45 0.01 . . . . . . . 106 GLY H . 50593 1 575 . 1 . 1 106 106 GLY HA2 H 1 3.89 0.01 . . . . . . . 106 GLY HA . 50593 1 576 . 1 . 1 106 106 GLY HA3 H 1 3.89 0.01 . . . . . . . 106 GLY HA . 50593 1 577 . 1 . 1 106 106 GLY C C 13 174.11 0.05 . . . . . . . 106 GLY C . 50593 1 578 . 1 . 1 106 106 GLY CA C 13 45.42 0.05 . . . . . . . 106 GLY CA . 50593 1 579 . 1 . 1 106 106 GLY N N 15 109.91 0.05 . . . . . . . 106 GLY N . 50593 1 580 . 1 . 1 107 107 ALA H H 1 8.12 0.01 . . . . . . . 107 ALA H . 50593 1 581 . 1 . 1 107 107 ALA HA H 1 4.32 0.01 . . . . . . . 107 ALA HA . 50593 1 582 . 1 . 1 107 107 ALA C C 13 177.9 0.05 . . . . . . . 107 ALA C . 50593 1 583 . 1 . 1 107 107 ALA CA C 13 52.56 0.05 . . . . . . . 107 ALA CA . 50593 1 584 . 1 . 1 107 107 ALA CB C 13 19.38 0.05 . . . . . . . 107 ALA CB . 50593 1 585 . 1 . 1 107 107 ALA N N 15 123.27 0.05 . . . . . . . 107 ALA N . 50593 1 586 . 1 . 1 108 108 SER H H 1 8.37 0.01 . . . . . . . 108 SER H . 50593 1 587 . 1 . 1 108 108 SER HA H 1 4.46 0.01 . . . . . . . 108 SER HA . 50593 1 588 . 1 . 1 108 108 SER C C 13 174.82 0.05 . . . . . . . 108 SER C . 50593 1 589 . 1 . 1 108 108 SER CA C 13 58.46 0.05 . . . . . . . 108 SER CA . 50593 1 590 . 1 . 1 108 108 SER CB C 13 63.83 0.05 . . . . . . . 108 SER CB . 50593 1 591 . 1 . 1 108 108 SER N N 15 114.9 0.05 . . . . . . . 108 SER N . 50593 1 592 . 1 . 1 109 109 VAL H H 1 8.24 0.01 . . . . . . . 109 VAL H . 50593 1 593 . 1 . 1 109 109 VAL HA H 1 4.2 0.01 . . . . . . . 109 VAL HA . 50593 1 594 . 1 . 1 109 109 VAL C C 13 176.62 0.05 . . . . . . . 109 VAL C . 50593 1 595 . 1 . 1 109 109 VAL CA C 13 62.54 0.05 . . . . . . . 109 VAL CA . 50593 1 596 . 1 . 1 109 109 VAL CB C 13 32.68 0.05 . . . . . . . 109 VAL CB . 50593 1 597 . 1 . 1 109 109 VAL N N 15 121.5 0.05 . . . . . . . 109 VAL N . 50593 1 598 . 1 . 1 110 110 THR H H 1 8.29 0.01 . . . . . . . 110 THR H . 50593 1 599 . 1 . 1 110 110 THR HA H 1 4.37 0.01 . . . . . . . 110 THR HA . 50593 1 600 . 1 . 1 110 110 THR C C 13 174.72 0.05 . . . . . . . 110 THR C . 50593 1 601 . 1 . 1 110 110 THR CA C 13 61.92 0.05 . . . . . . . 110 THR CA . 50593 1 602 . 1 . 1 110 110 THR CB C 13 69.76 0.05 . . . . . . . 110 THR CB . 50593 1 603 . 1 . 1 110 110 THR N N 15 117.06 0.05 . . . . . . . 110 THR N . 50593 1 604 . 1 . 1 111 111 SER H H 1 8.38 0.01 . . . . . . . 111 SER H . 50593 1 605 . 1 . 1 111 111 SER HA H 1 4.44 0.01 . . . . . . . 111 SER HA . 50593 1 606 . 1 . 1 111 111 SER C C 13 175.069 0.05 . . . . . . . 111 SER C . 50593 1 607 . 1 . 1 111 111 SER CA C 13 58.61 0.05 . . . . . . . 111 SER CA . 50593 1 608 . 1 . 1 111 111 SER CB C 13 63.96 0.05 . . . . . . . 111 SER CB . 50593 1 609 . 1 . 1 111 111 SER N N 15 118.1 0.05 . . . . . . . 111 SER N . 50593 1 610 . 1 . 1 112 112 GLY H H 1 8.5 0.01 . . . . . . . 112 GLY H . 50593 1 611 . 1 . 1 112 112 GLY HA2 H 1 3.96 0.01 . . . . . . . 112 GLY HA . 50593 1 612 . 1 . 1 112 112 GLY HA3 H 1 3.96 0.01 . . . . . . . 112 GLY HA . 50593 1 613 . 1 . 1 112 112 GLY C C 13 173.94 0.05 . . . . . . . 112 GLY C . 50593 1 614 . 1 . 1 112 112 GLY CA C 13 45.35 0.05 . . . . . . . 112 GLY CA . 50593 1 615 . 1 . 1 112 112 GLY N N 15 110.92 0.05 . . . . . . . 112 GLY N . 50593 1 616 . 1 . 1 113 113 ALA H H 1 8.23 0.01 . . . . . . . 113 ALA H . 50593 1 617 . 1 . 1 113 113 ALA HA H 1 4.37 0.01 . . . . . . . 113 ALA HA . 50593 1 618 . 1 . 1 113 113 ALA C C 13 178.23 0.05 . . . . . . . 113 ALA C . 50593 1 619 . 1 . 1 113 113 ALA CA C 13 52.64 0.05 . . . . . . . 113 ALA CA . 50593 1 620 . 1 . 1 113 113 ALA CB C 13 19.38 0.05 . . . . . . . 113 ALA CB . 50593 1 621 . 1 . 1 113 113 ALA N N 15 123.59 0.05 . . . . . . . 113 ALA N . 50593 1 622 . 1 . 1 114 114 THR H H 1 8.27 0.01 . . . . . . . 114 THR H . 50593 1 623 . 1 . 1 114 114 THR HA H 1 4.37 0.01 . . . . . . . 114 THR HA . 50593 1 624 . 1 . 1 114 114 THR C C 13 174.8 0.05 . . . . . . . 114 THR C . 50593 1 625 . 1 . 1 114 114 THR CA C 13 61.72 0.05 . . . . . . . 114 THR CA . 50593 1 626 . 1 . 1 114 114 THR CB C 13 69.96 0.05 . . . . . . . 114 THR CB . 50593 1 627 . 1 . 1 114 114 THR N N 15 112.91 0.05 . . . . . . . 114 THR N . 50593 1 628 . 1 . 1 115 115 SER H H 1 8.41 0.01 . . . . . . . 115 SER H . 50593 1 629 . 1 . 1 115 115 SER HA H 1 4.32 0.01 . . . . . . . 115 SER HA . 50593 1 630 . 1 . 1 115 115 SER C C 13 174.56 0.05 . . . . . . . 115 SER C . 50593 1 631 . 1 . 1 115 115 SER CA C 13 58.53 0.05 . . . . . . . 115 SER CA . 50593 1 632 . 1 . 1 115 115 SER CB C 13 63.89 0.05 . . . . . . . 115 SER CB . 50593 1 633 . 1 . 1 115 115 SER N N 15 117.82 0.05 . . . . . . . 115 SER N . 50593 1 634 . 1 . 1 116 116 ALA H H 1 8.46 0.01 . . . . . . . 116 ALA H . 50593 1 635 . 1 . 1 116 116 ALA HA H 1 4.28 0.01 . . . . . . . 116 ALA HA . 50593 1 636 . 1 . 1 116 116 ALA C C 13 178.23 0.05 . . . . . . . 116 ALA C . 50593 1 637 . 1 . 1 116 116 ALA CA C 13 53.03 0.05 . . . . . . . 116 ALA CA . 50593 1 638 . 1 . 1 116 116 ALA CB C 13 19.08 0.05 . . . . . . . 116 ALA CB . 50593 1 639 . 1 . 1 116 116 ALA N N 15 125.57 0.05 . . . . . . . 116 ALA N . 50593 1 640 . 1 . 1 117 117 GLU H H 1 8.38 0.01 . . . . . . . 117 GLU H . 50593 1 641 . 1 . 1 117 117 GLU HA H 1 4.27 0.01 . . . . . . . 117 GLU HA . 50593 1 642 . 1 . 1 117 117 GLU C C 13 177.21 0.05 . . . . . . . 117 GLU C . 50593 1 643 . 1 . 1 117 117 GLU CA C 13 57.14 0.05 . . . . . . . 117 GLU CA . 50593 1 644 . 1 . 1 117 117 GLU CB C 13 29.97 0.05 . . . . . . . 117 GLU CB . 50593 1 645 . 1 . 1 117 117 GLU N N 15 119.27 0.05 . . . . . . . 117 GLU N . 50593 1 646 . 1 . 1 118 118 THR H H 1 8.18 0.01 . . . . . . . 118 THR H . 50593 1 647 . 1 . 1 118 118 THR HA H 1 4.25 0.01 . . . . . . . 118 THR HA . 50593 1 648 . 1 . 1 118 118 THR C C 13 174.62 0.05 . . . . . . . 118 THR C . 50593 1 649 . 1 . 1 118 118 THR CA C 13 62.47 0.05 . . . . . . . 118 THR CA . 50593 1 650 . 1 . 1 118 118 THR CB C 13 69.62 0.05 . . . . . . . 118 THR CB . 50593 1 651 . 1 . 1 118 118 THR N N 15 114.56 0.05 . . . . . . . 118 THR N . 50593 1 652 . 1 . 1 119 119 ASN H H 1 8.47 0.01 . . . . . . . 119 ASN H . 50593 1 653 . 1 . 1 119 119 ASN HA H 1 4.7 0.01 . . . . . . . 119 ASN HA . 50593 1 654 . 1 . 1 119 119 ASN C C 13 175.62 0.05 . . . . . . . 119 ASN C . 50593 1 655 . 1 . 1 119 119 ASN CA C 13 53.62 0.05 . . . . . . . 119 ASN CA . 50593 1 656 . 1 . 1 119 119 ASN N N 15 120.7 0.05 . . . . . . . 119 ASN N . 50593 1 657 . 1 . 1 120 120 SER H H 1 8.29 0.01 . . . . . . . 120 SER H . 50593 1 658 . 1 . 1 120 120 SER HA H 1 4.32 0.01 . . . . . . . 120 SER HA . 50593 1 659 . 1 . 1 120 120 SER C C 13 174.53 0.05 . . . . . . . 120 SER C . 50593 1 660 . 1 . 1 120 120 SER CA C 13 58.91 0.05 . . . . . . . 120 SER CA . 50593 1 661 . 1 . 1 120 120 SER CB C 13 63.69 0.05 . . . . . . . 120 SER CB . 50593 1 662 . 1 . 1 120 120 SER N N 15 116.15 0.05 . . . . . . . 120 SER N . 50593 1 663 . 1 . 1 121 121 TYR H H 1 8.28 0.01 . . . . . . . 121 TYR H . 50593 1 664 . 1 . 1 121 121 TYR HA H 1 4.38 0.01 . . . . . . . 121 TYR HA . 50593 1 665 . 1 . 1 121 121 TYR C C 13 176.06 0.05 . . . . . . . 121 TYR C . 50593 1 666 . 1 . 1 121 121 TYR CA C 13 58.89 0.05 . . . . . . . 121 TYR CA . 50593 1 667 . 1 . 1 121 121 TYR CB C 13 38.5 0.05 . . . . . . . 121 TYR CB . 50593 1 668 . 1 . 1 121 121 TYR N N 15 117.41 0.05 . . . . . . . 121 TYR N . 50593 1 669 . 1 . 1 122 122 PHE H H 1 8.04 0.01 . . . . . . . 122 PHE H . 50593 1 670 . 1 . 1 122 122 PHE HA H 1 4.43 0.01 . . . . . . . 122 PHE HA . 50593 1 671 . 1 . 1 122 122 PHE C C 13 175.68 0.05 . . . . . . . 122 PHE C . 50593 1 672 . 1 . 1 122 122 PHE CA C 13 58.25 0.05 . . . . . . . 122 PHE CA . 50593 1 673 . 1 . 1 122 122 PHE CB C 13 39.45 0.05 . . . . . . . 122 PHE CB . 50593 1 674 . 1 . 1 122 122 PHE N N 15 120.75 0.05 . . . . . . . 122 PHE N . 50593 1 675 . 1 . 1 123 123 ALA H H 1 8.09 0.01 . . . . . . . 123 ALA H . 50593 1 676 . 1 . 1 123 123 ALA HA H 1 4.28 0.01 . . . . . . . 123 ALA HA . 50593 1 677 . 1 . 1 123 123 ALA C C 13 177.97 0.05 . . . . . . . 123 ALA C . 50593 1 678 . 1 . 1 123 123 ALA CA C 13 53.01 0.05 . . . . . . . 123 ALA CA . 50593 1 679 . 1 . 1 123 123 ALA CB C 13 19.1 0.05 . . . . . . . 123 ALA CB . 50593 1 680 . 1 . 1 123 123 ALA N N 15 124.3 0.05 . . . . . . . 123 ALA N . 50593 1 681 . 1 . 1 124 124 LYS H H 1 8.16 0.01 . . . . . . . 124 LYS H . 50593 1 682 . 1 . 1 124 124 LYS HA H 1 4.21 0.01 . . . . . . . 124 LYS HA . 50593 1 683 . 1 . 1 124 124 LYS C C 13 177.07 0.05 . . . . . . . 124 LYS C . 50593 1 684 . 1 . 1 124 124 LYS CA C 13 56.7 0.05 . . . . . . . 124 LYS CA . 50593 1 685 . 1 . 1 124 124 LYS CB C 13 32.73 0.05 . . . . . . . 124 LYS CB . 50593 1 686 . 1 . 1 124 124 LYS N N 15 119.51 0.05 . . . . . . . 124 LYS N . 50593 1 687 . 1 . 1 125 125 SER H H 1 8.22 0.01 . . . . . . . 125 SER H . 50593 1 688 . 1 . 1 125 125 SER HA H 1 4.39 0.01 . . . . . . . 125 SER HA . 50593 1 689 . 1 . 1 125 125 SER C C 13 174.86 0.05 . . . . . . . 125 SER C . 50593 1 690 . 1 . 1 125 125 SER CA C 13 58.93 0.05 . . . . . . . 125 SER CA . 50593 1 691 . 1 . 1 125 125 SER CB C 13 63.71 0.05 . . . . . . . 125 SER CB . 50593 1 692 . 1 . 1 125 125 SER N N 15 116.04 0.05 . . . . . . . 125 SER N . 50593 1 693 . 1 . 1 126 126 MET HA H 1 4.4 0.01 . . . . . . . 126 MET HA . 50593 1 694 . 1 . 1 126 126 MET C C 13 176.76 0.05 . . . . . . . 126 MET C . 50593 1 695 . 1 . 1 126 126 MET CA C 13 55.85 0.05 . . . . . . . 126 MET CA . 50593 1 696 . 1 . 1 126 126 MET CB C 13 32.14 0.05 . . . . . . . 126 MET CB . 50593 1 697 . 1 . 1 127 127 GLU H H 1 8.26 0.01 . . . . . . . 127 GLU H . 50593 1 698 . 1 . 1 127 127 GLU HA H 1 4.11 0.01 . . . . . . . 127 GLU HA . 50593 1 699 . 1 . 1 127 127 GLU C C 13 176.56 0.05 . . . . . . . 127 GLU C . 50593 1 700 . 1 . 1 127 127 GLU CA C 13 57.48 0.05 . . . . . . . 127 GLU CA . 50593 1 701 . 1 . 1 127 127 GLU CB C 13 29.97 0.05 . . . . . . . 127 GLU CB . 50593 1 702 . 1 . 1 127 127 GLU N N 15 120.86 0.05 . . . . . . . 127 GLU N . 50593 1 703 . 1 . 1 128 128 PHE H H 1 8.14 0.01 . . . . . . . 128 PHE H . 50593 1 704 . 1 . 1 128 128 PHE HA H 1 4.5 0.01 . . . . . . . 128 PHE HA . 50593 1 705 . 1 . 1 128 128 PHE C C 13 175.84 0.05 . . . . . . . 128 PHE C . 50593 1 706 . 1 . 1 128 128 PHE CA C 13 58.23 0.05 . . . . . . . 128 PHE CA . 50593 1 707 . 1 . 1 128 128 PHE CB C 13 39.34 0.05 . . . . . . . 128 PHE CB . 50593 1 708 . 1 . 1 128 128 PHE N N 15 119.84 0.05 . . . . . . . 128 PHE N . 50593 1 709 . 1 . 1 129 129 LEU H H 1 7.96 0.01 . . . . . . . 129 LEU H . 50593 1 710 . 1 . 1 129 129 LEU HA H 1 4.3 0.01 . . . . . . . 129 LEU HA . 50593 1 711 . 1 . 1 129 129 LEU C C 13 176.72 0.05 . . . . . . . 129 LEU C . 50593 1 712 . 1 . 1 129 129 LEU CA C 13 55.12 0.05 . . . . . . . 129 LEU CA . 50593 1 713 . 1 . 1 129 129 LEU CB C 13 42.53 0.05 . . . . . . . 129 LEU CB . 50593 1 714 . 1 . 1 129 129 LEU N N 15 122.56 0.05 . . . . . . . 129 LEU N . 50593 1 715 . 1 . 1 130 130 ALA H H 1 8.1 0.01 . . . . . . . 130 ALA H . 50593 1 716 . 1 . 1 130 130 ALA HA H 1 4.23 0.01 . . . . . . . 130 ALA HA . 50593 1 717 . 1 . 1 130 130 ALA C C 13 177.28 0.05 . . . . . . . 130 ALA C . 50593 1 718 . 1 . 1 130 130 ALA CA C 13 52.33 0.05 . . . . . . . 130 ALA CA . 50593 1 719 . 1 . 1 130 130 ALA CB C 13 19.13 0.05 . . . . . . . 130 ALA CB . 50593 1 720 . 1 . 1 130 130 ALA N N 15 123.95 0.05 . . . . . . . 130 ALA N . 50593 1 721 . 1 . 1 131 131 ARG H H 1 8.11 0.01 . . . . . . . 131 ARG H . 50593 1 722 . 1 . 1 131 131 ARG HA H 1 4.55 0.01 . . . . . . . 131 ARG HA . 50593 1 723 . 1 . 1 131 131 ARG C C 13 174.1 0.05 . . . . . . . 131 ARG C . 50593 1 724 . 1 . 1 131 131 ARG CA C 13 53.81 0.05 . . . . . . . 131 ARG CA . 50593 1 725 . 1 . 1 131 131 ARG CB C 13 30.13 0.05 . . . . . . . 131 ARG CB . 50593 1 726 . 1 . 1 131 131 ARG N N 15 120.97 0.05 . . . . . . . 131 ARG N . 50593 1 727 . 1 . 1 132 132 PRO HA H 1 4.38 0.01 . . . . . . . 132 PRO HA . 50593 1 728 . 1 . 1 132 132 PRO C C 13 176.52 0.05 . . . . . . . 132 PRO C . 50593 1 729 . 1 . 1 132 132 PRO CA C 13 62.91 0.05 . . . . . . . 132 PRO CA . 50593 1 730 . 1 . 1 132 132 PRO CB C 13 32.07 0.05 . . . . . . . 132 PRO CB . 50593 1 731 . 1 . 1 133 133 VAL H H 1 8.33 0.01 . . . . . . . 133 VAL H . 50593 1 732 . 1 . 1 133 133 VAL HA H 1 4.35 0.01 . . . . . . . 133 VAL HA . 50593 1 733 . 1 . 1 133 133 VAL C C 13 174.59 0.05 . . . . . . . 133 VAL C . 50593 1 734 . 1 . 1 133 133 VAL CA C 13 59.85 0.05 . . . . . . . 133 VAL CA . 50593 1 735 . 1 . 1 133 133 VAL CB C 13 32.46 0.05 . . . . . . . 133 VAL CB . 50593 1 736 . 1 . 1 133 133 VAL N N 15 121.88 0.05 . . . . . . . 133 VAL N . 50593 1 737 . 1 . 1 134 134 PRO HA H 1 4.36 0.01 . . . . . . . 134 PRO HA . 50593 1 738 . 1 . 1 134 134 PRO C C 13 176.09 0.05 . . . . . . . 134 PRO C . 50593 1 739 . 1 . 1 134 134 PRO CA C 13 62.97 0.05 . . . . . . . 134 PRO CA . 50593 1 740 . 1 . 1 134 134 PRO CB C 13 32.09 0.05 . . . . . . . 134 PRO CB . 50593 1 741 . 1 . 1 135 135 ALA H H 1 8.42 0.01 . . . . . . . 135 ALA H . 50593 1 742 . 1 . 1 135 135 ALA HA H 1 4.54 0.01 . . . . . . . 135 ALA HA . 50593 1 743 . 1 . 1 135 135 ALA C C 13 175.65 0.05 . . . . . . . 135 ALA C . 50593 1 744 . 1 . 1 135 135 ALA CA C 13 50.37 0.05 . . . . . . . 135 ALA CA . 50593 1 745 . 1 . 1 135 135 ALA CB C 13 18.06 0.05 . . . . . . . 135 ALA CB . 50593 1 746 . 1 . 1 135 135 ALA N N 15 125.51 0.05 . . . . . . . 135 ALA N . 50593 1 747 . 1 . 1 136 136 PRO HA H 1 4.4 0.01 . . . . . . . 136 PRO HA . 50593 1 748 . 1 . 1 136 136 PRO C C 13 176.9 0.05 . . . . . . . 136 PRO C . 50593 1 749 . 1 . 1 136 136 PRO CA C 13 63.07 0.05 . . . . . . . 136 PRO CA . 50593 1 750 . 1 . 1 136 136 PRO CB C 13 32.11 0.05 . . . . . . . 136 PRO CB . 50593 1 751 . 1 . 1 137 137 ARG H H 1 8.61 0.01 . . . . . . . 137 ARG H . 50593 1 752 . 1 . 1 137 137 ARG HA H 1 4.32 0.01 . . . . . . . 137 ARG HA . 50593 1 753 . 1 . 1 137 137 ARG C C 13 176.52 0.05 . . . . . . . 137 ARG C . 50593 1 754 . 1 . 1 137 137 ARG CA C 13 56.06 0.05 . . . . . . . 137 ARG CA . 50593 1 755 . 1 . 1 137 137 ARG CB C 13 29.92 0.05 . . . . . . . 137 ARG CB . 50593 1 756 . 1 . 1 137 137 ARG N N 15 121.34 0.05 . . . . . . . 137 ARG N . 50593 1 757 . 1 . 1 138 138 THR H H 1 8.25 0.01 . . . . . . . 138 THR H . 50593 1 758 . 1 . 1 138 138 THR HA H 1 4.27 0.01 . . . . . . . 138 THR HA . 50593 1 759 . 1 . 1 138 138 THR C C 13 174.05 0.05 . . . . . . . 138 THR C . 50593 1 760 . 1 . 1 138 138 THR CA C 13 61.78 0.05 . . . . . . . 138 THR CA . 50593 1 761 . 1 . 1 138 138 THR N N 15 116.02 0.05 . . . . . . . 138 THR N . 50593 1 762 . 1 . 1 139 139 VAL HA H 1 4.07 0.01 . . . . . . . 139 VAL HA . 50593 1 763 . 1 . 1 139 139 VAL C C 13 175.34 0.05 . . . . . . . 139 VAL C . 50593 1 764 . 1 . 1 139 139 VAL CA C 13 62.03 0.05 . . . . . . . 139 VAL CA . 50593 1 765 . 1 . 1 139 139 VAL CB C 13 32.99 0.05 . . . . . . . 139 VAL CB . 50593 1 766 . 1 . 1 140 140 PHE H H 1 8.46 0.01 . . . . . . . 140 PHE H . 50593 1 767 . 1 . 1 140 140 PHE HA H 1 4.58 0.01 . . . . . . . 140 PHE HA . 50593 1 768 . 1 . 1 140 140 PHE C C 13 175.66 0.05 . . . . . . . 140 PHE C . 50593 1 769 . 1 . 1 140 140 PHE CA C 13 57.65 0.05 . . . . . . . 140 PHE CA . 50593 1 770 . 1 . 1 140 140 PHE CB C 13 39.63 0.05 . . . . . . . 140 PHE CB . 50593 1 771 . 1 . 1 140 140 PHE N N 15 124.79 0.05 . . . . . . . 140 PHE N . 50593 1 772 . 1 . 1 142 142 ASN H H 1 8.54 0.01 . . . . . . . 142 ASN H . 50593 1 773 . 1 . 1 142 142 ASN N N 15 120.97 0.05 . . . . . . . 142 ASN N . 50593 1 774 . 1 . 1 146 146 PRO HA H 1 4.37 0.01 . . . . . . . 146 PRO HA . 50593 1 775 . 1 . 1 146 146 PRO C C 13 176.19 0.05 . . . . . . . 146 PRO C . 50593 1 776 . 1 . 1 146 146 PRO CA C 13 62.97 0.05 . . . . . . . 146 PRO CA . 50593 1 777 . 1 . 1 146 146 PRO CB C 13 32.15 0.05 . . . . . . . 146 PRO CB . 50593 1 778 . 1 . 1 147 147 ALA H H 1 8.59 0.01 . . . . . . . 147 ALA H . 50593 1 779 . 1 . 1 147 147 ALA HA H 1 4.54 0.01 . . . . . . . 147 ALA HA . 50593 1 780 . 1 . 1 147 147 ALA C C 13 175.57 0.05 . . . . . . . 147 ALA C . 50593 1 781 . 1 . 1 147 147 ALA CA C 13 50.48 0.05 . . . . . . . 147 ALA CA . 50593 1 782 . 1 . 1 147 147 ALA CB C 13 18.02 0.05 . . . . . . . 147 ALA CB . 50593 1 783 . 1 . 1 147 147 ALA N N 15 125.94 0.05 . . . . . . . 147 ALA N . 50593 1 784 . 1 . 1 148 148 PRO HA H 1 4.42 0.01 . . . . . . . 148 PRO HA . 50593 1 785 . 1 . 1 148 148 PRO C C 13 176.89 0.05 . . . . . . . 148 PRO C . 50593 1 786 . 1 . 1 148 148 PRO CA C 13 62.96 0.05 . . . . . . . 148 PRO CA . 50593 1 787 . 1 . 1 149 149 ARG H H 1 8.55 0.01 . . . . . . . 149 ARG H . 50593 1 788 . 1 . 1 149 149 ARG HA H 1 4.27 0.01 . . . . . . . 149 ARG HA . 50593 1 789 . 1 . 1 149 149 ARG C C 13 176.54 0.05 . . . . . . . 149 ARG C . 50593 1 790 . 1 . 1 149 149 ARG CA C 13 56.13 0.05 . . . . . . . 149 ARG CA . 50593 1 791 . 1 . 1 149 149 ARG CB C 13 30.66 0.05 . . . . . . . 149 ARG CB . 50593 1 792 . 1 . 1 149 149 ARG N N 15 121.18 0.05 . . . . . . . 149 ARG N . 50593 1 793 . 1 . 1 150 150 THR H H 1 8.27 0.01 . . . . . . . 150 THR H . 50593 1 794 . 1 . 1 150 150 THR HA H 1 4.3 0.01 . . . . . . . 150 THR HA . 50593 1 795 . 1 . 1 150 150 THR C C 13 174.03 0.05 . . . . . . . 150 THR C . 50593 1 796 . 1 . 1 150 150 THR CA C 13 61.97 0.05 . . . . . . . 150 THR CA . 50593 1 797 . 1 . 1 150 150 THR CB C 13 69.76 0.05 . . . . . . . 150 THR CB . 50593 1 798 . 1 . 1 150 150 THR N N 15 116.15 0.05 . . . . . . . 150 THR N . 50593 1 799 . 1 . 1 151 151 ARG H H 1 8.16 0.01 . . . . . . . 151 ARG H . 50593 1 800 . 1 . 1 151 151 ARG HA H 1 4.39 0.01 . . . . . . . 151 ARG HA . 50593 1 801 . 1 . 1 151 151 ARG C C 13 176.14 0.05 . . . . . . . 151 ARG C . 50593 1 802 . 1 . 1 151 151 ARG CA C 13 56.02 0.05 . . . . . . . 151 ARG CA . 50593 1 803 . 1 . 1 151 151 ARG CB C 13 29.58 0.05 . . . . . . . 151 ARG CB . 50593 1 804 . 1 . 1 151 151 ARG N N 15 122.81 0.05 . . . . . . . 151 ARG N . 50593 1 805 . 1 . 1 153 153 PRO HA H 1 4.43 0.01 . . . . . . . 153 PRO HA . 50593 1 806 . 1 . 1 153 153 PRO C C 13 176.98 0.05 . . . . . . . 153 PRO C . 50593 1 807 . 1 . 1 153 153 PRO CA C 13 63.09 0.05 . . . . . . . 153 PRO CA . 50593 1 808 . 1 . 1 153 153 PRO CB C 13 32.07 0.05 . . . . . . . 153 PRO CB . 50593 1 809 . 1 . 1 154 154 SER H H 1 8.49 0.01 . . . . . . . 154 SER H . 50593 1 810 . 1 . 1 154 154 SER HA H 1 4.39 0.01 . . . . . . . 154 SER HA . 50593 1 811 . 1 . 1 154 154 SER C C 13 174.38 0.05 . . . . . . . 154 SER C . 50593 1 812 . 1 . 1 154 154 SER CA C 13 58.25 0.05 . . . . . . . 154 SER CA . 50593 1 813 . 1 . 1 154 154 SER CB C 13 63.79 0.05 . . . . . . . 154 SER CB . 50593 1 814 . 1 . 1 154 154 SER N N 15 116.02 0.05 . . . . . . . 154 SER N . 50593 1 815 . 1 . 1 155 155 LEU H H 1 8.37 0.01 . . . . . . . 155 LEU H . 50593 1 816 . 1 . 1 155 155 LEU HA H 1 4.61 0.01 . . . . . . . 155 LEU HA . 50593 1 817 . 1 . 1 155 155 LEU C C 13 176.74 0.05 . . . . . . . 155 LEU C . 50593 1 818 . 1 . 1 155 155 LEU CA C 13 54.73 0.05 . . . . . . . 155 LEU CA . 50593 1 819 . 1 . 1 155 155 LEU CB C 13 42.41 0.05 . . . . . . . 155 LEU CB . 50593 1 820 . 1 . 1 155 155 LEU N N 15 124.37 0.05 . . . . . . . 155 LEU N . 50593 1 821 . 1 . 1 156 156 ALA H H 1 8.36 0.01 . . . . . . . 156 ALA H . 50593 1 822 . 1 . 1 156 156 ALA HA H 1 4.54 0.01 . . . . . . . 156 ALA HA . 50593 1 823 . 1 . 1 156 156 ALA C C 13 175.54 0.05 . . . . . . . 156 ALA C . 50593 1 824 . 1 . 1 156 156 ALA CA C 13 50.56 0.05 . . . . . . . 156 ALA CA . 50593 1 825 . 1 . 1 156 156 ALA CB C 13 18.09 0.05 . . . . . . . 156 ALA CB . 50593 1 826 . 1 . 1 156 156 ALA N N 15 126.35 0.05 . . . . . . . 156 ALA N . 50593 1 827 . 1 . 1 157 157 PRO HA H 1 4.44 0.01 . . . . . . . 157 PRO HA . 50593 1 828 . 1 . 1 157 157 PRO C C 13 176.95 0.05 . . . . . . . 157 PRO C . 50593 1 829 . 1 . 1 157 157 PRO CA C 13 63.18 0.05 . . . . . . . 157 PRO CA . 50593 1 830 . 1 . 1 157 157 PRO CB C 13 32.04 0.05 . . . . . . . 157 PRO CB . 50593 1 831 . 1 . 1 158 158 SER H H 1 8.51 0.01 . . . . . . . 158 SER H . 50593 1 832 . 1 . 1 158 158 SER HA H 1 4.4 0.01 . . . . . . . 158 SER HA . 50593 1 833 . 1 . 1 158 158 SER C C 13 174.66 0.05 . . . . . . . 158 SER C . 50593 1 834 . 1 . 1 158 158 SER CA C 13 58.27 0.05 . . . . . . . 158 SER CA . 50593 1 835 . 1 . 1 158 158 SER CB C 13 63.88 0.05 . . . . . . . 158 SER CB . 50593 1 836 . 1 . 1 158 158 SER N N 15 116.47 0.05 . . . . . . . 158 SER N . 50593 1 837 . 1 . 1 159 159 ARG HA H 1 4.55 0.01 . . . . . . . 159 ARG HA . 50593 1 838 . 1 . 1 159 159 ARG C C 13 174.86 0.05 . . . . . . . 159 ARG C . 50593 1 839 . 1 . 1 159 159 ARG CA C 13 55.85 0.05 . . . . . . . 159 ARG CA . 50593 1 840 . 1 . 1 159 159 ARG CB C 13 30.36 0.05 . . . . . . . 159 ARG CB . 50593 1 841 . 1 . 1 160 160 ALA H H 1 8.42 0.01 . . . . . . . 160 ALA H . 50593 1 842 . 1 . 1 160 160 ALA HA H 1 4.29 0.01 . . . . . . . 160 ALA HA . 50593 1 843 . 1 . 1 160 160 ALA C C 13 177.61 0.05 . . . . . . . 160 ALA C . 50593 1 844 . 1 . 1 160 160 ALA CA C 13 52.64 0.05 . . . . . . . 160 ALA CA . 50593 1 845 . 1 . 1 160 160 ALA CB C 13 19.14 0.05 . . . . . . . 160 ALA CB . 50593 1 846 . 1 . 1 160 160 ALA N N 15 125.03 0.05 . . . . . . . 160 ALA N . 50593 1 847 . 1 . 1 161 161 CYS HA H 1 4.41 0.01 . . . . . . . 161 CYS HA . 50593 1 848 . 1 . 1 161 161 CYS C C 13 174.69 0.05 . . . . . . . 161 CYS C . 50593 1 849 . 1 . 1 161 161 CYS CA C 13 58.28 0.05 . . . . . . . 161 CYS CA . 50593 1 850 . 1 . 1 162 162 SER HA H 1 4.32 0.01 . . . . . . . 162 SER HA . 50593 1 851 . 1 . 1 162 162 SER C C 13 174.69 0.05 . . . . . . . 162 SER C . 50593 1 852 . 1 . 1 162 162 SER CA C 13 58.75 0.05 . . . . . . . 162 SER CA . 50593 1 853 . 1 . 1 163 163 ARG HA H 1 4.26 0.01 . . . . . . . 163 ARG HA . 50593 1 854 . 1 . 1 163 163 ARG C C 13 176.73 0.05 . . . . . . . 163 ARG C . 50593 1 855 . 1 . 1 163 163 ARG CA C 13 56.48 0.05 . . . . . . . 163 ARG CA . 50593 1 856 . 1 . 1 164 164 THR H H 1 8.26 0.01 . . . . . . . 164 THR H . 50593 1 857 . 1 . 1 164 164 THR HA H 1 4.26 0.01 . . . . . . . 164 THR HA . 50593 1 858 . 1 . 1 164 164 THR C C 13 174.55 0.05 . . . . . . . 164 THR C . 50593 1 859 . 1 . 1 164 164 THR CA C 13 62.04 0.05 . . . . . . . 164 THR CA . 50593 1 860 . 1 . 1 164 164 THR CB C 13 69.79 0.05 . . . . . . . 164 THR CB . 50593 1 861 . 1 . 1 164 164 THR N N 15 114.78 0.05 . . . . . . . 164 THR N . 50593 1 862 . 1 . 1 165 165 SER H H 1 8.36 0.01 . . . . . . . 165 SER H . 50593 1 863 . 1 . 1 165 165 SER HA H 1 4.32 0.01 . . . . . . . 165 SER HA . 50593 1 864 . 1 . 1 165 165 SER C C 13 174.35 0.05 . . . . . . . 165 SER C . 50593 1 865 . 1 . 1 165 165 SER CA C 13 58.52 0.05 . . . . . . . 165 SER CA . 50593 1 866 . 1 . 1 165 165 SER CB C 13 63.8 0.05 . . . . . . . 165 SER CB . 50593 1 867 . 1 . 1 165 165 SER N N 15 118.09 0.05 . . . . . . . 165 SER N . 50593 1 868 . 1 . 1 166 166 LEU H H 1 8.36 0.01 . . . . . . . 166 LEU H . 50593 1 869 . 1 . 1 166 166 LEU HA H 1 4.3 0.01 . . . . . . . 166 LEU HA . 50593 1 870 . 1 . 1 166 166 LEU C C 13 177.31 0.05 . . . . . . . 166 LEU C . 50593 1 871 . 1 . 1 166 166 LEU CA C 13 55.33 0.05 . . . . . . . 166 LEU CA . 50593 1 872 . 1 . 1 166 166 LEU CB C 13 42.36 0.05 . . . . . . . 166 LEU CB . 50593 1 873 . 1 . 1 166 166 LEU N N 15 124.22 0.05 . . . . . . . 166 LEU N . 50593 1 874 . 1 . 1 167 167 VAL H H 1 8.17 0.01 . . . . . . . 167 VAL H . 50593 1 875 . 1 . 1 167 167 VAL HA H 1 4.14 0.01 . . . . . . . 167 VAL HA . 50593 1 876 . 1 . 1 167 167 VAL C C 13 176.09 0.05 . . . . . . . 167 VAL C . 50593 1 877 . 1 . 1 167 167 VAL CA C 13 62.13 0.05 . . . . . . . 167 VAL CA . 50593 1 878 . 1 . 1 167 167 VAL CB C 13 32.88 0.05 . . . . . . . 167 VAL CB . 50593 1 879 . 1 . 1 167 167 VAL N N 15 120.66 0.05 . . . . . . . 167 VAL N . 50593 1 880 . 1 . 1 168 168 SER H H 1 8.46 0.01 . . . . . . . 168 SER H . 50593 1 881 . 1 . 1 168 168 SER HA H 1 4.4 0.01 . . . . . . . 168 SER HA . 50593 1 882 . 1 . 1 168 168 SER C C 13 174.22 0.05 . . . . . . . 168 SER C . 50593 1 883 . 1 . 1 168 168 SER CA C 13 58.13 0.05 . . . . . . . 168 SER CA . 50593 1 884 . 1 . 1 168 168 SER CB C 13 63.81 0.05 . . . . . . . 168 SER CB . 50593 1 885 . 1 . 1 168 168 SER N N 15 119.83 0.05 . . . . . . . 168 SER N . 50593 1 886 . 1 . 1 169 169 THR H H 1 8.28 0.01 . . . . . . . 169 THR H . 50593 1 887 . 1 . 1 169 169 THR HA H 1 4.5 0.01 . . . . . . . 169 THR HA . 50593 1 888 . 1 . 1 169 169 THR C C 13 172.23 0.05 . . . . . . . 169 THR C . 50593 1 889 . 1 . 1 169 169 THR CA C 13 59.76 0.05 . . . . . . . 169 THR CA . 50593 1 890 . 1 . 1 169 169 THR CB C 13 69.76 0.05 . . . . . . . 169 THR CB . 50593 1 891 . 1 . 1 169 169 THR N N 15 118.74 0.05 . . . . . . . 169 THR N . 50593 1 892 . 1 . 1 171 171 PRO HA H 1 4.46 0.01 . . . . . . . 171 PRO HA . 50593 1 893 . 1 . 1 171 171 PRO C C 13 177.59 0.05 . . . . . . . 171 PRO C . 50593 1 894 . 1 . 1 171 171 PRO CA C 13 63.29 0.05 . . . . . . . 171 PRO CA . 50593 1 895 . 1 . 1 171 171 PRO CB C 13 31.98 0.05 . . . . . . . 171 PRO CB . 50593 1 896 . 1 . 1 172 172 GLY H H 1 8.53 0.01 . . . . . . . 172 GLY H . 50593 1 897 . 1 . 1 172 172 GLY HA2 H 1 3.92 0.01 . . . . . . . 172 GLY HA . 50593 1 898 . 1 . 1 172 172 GLY HA3 H 1 3.92 0.01 . . . . . . . 172 GLY HA . 50593 1 899 . 1 . 1 172 172 GLY C C 13 174.18 0.05 . . . . . . . 172 GLY C . 50593 1 900 . 1 . 1 172 172 GLY CA C 13 45.25 0.05 . . . . . . . 172 GLY CA . 50593 1 901 . 1 . 1 172 172 GLY N N 15 109.01 0.05 . . . . . . . 172 GLY N . 50593 1 902 . 1 . 1 173 173 VAL H H 1 7.95 0.01 . . . . . . . 173 VAL H . 50593 1 903 . 1 . 1 173 173 VAL HA H 1 4.04 0.01 . . . . . . . 173 VAL HA . 50593 1 904 . 1 . 1 173 173 VAL C C 13 175.92 0.05 . . . . . . . 173 VAL C . 50593 1 905 . 1 . 1 173 173 VAL CA C 13 62.35 0.05 . . . . . . . 173 VAL CA . 50593 1 906 . 1 . 1 173 173 VAL CB C 13 32.57 0.05 . . . . . . . 173 VAL CB . 50593 1 907 . 1 . 1 173 173 VAL N N 15 119.01 0.05 . . . . . . . 173 VAL N . 50593 1 908 . 1 . 1 174 174 ASN H H 1 8.61 0.01 . . . . . . . 174 ASN H . 50593 1 909 . 1 . 1 174 174 ASN HA H 1 4.71 0.01 . . . . . . . 174 ASN HA . 50593 1 910 . 1 . 1 174 174 ASN C C 13 174.8 0.05 . . . . . . . 174 ASN C . 50593 1 911 . 1 . 1 174 174 ASN CA C 13 53.17 0.05 . . . . . . . 174 ASN CA . 50593 1 912 . 1 . 1 174 174 ASN CB C 13 38.9 0.05 . . . . . . . 174 ASN CB . 50593 1 913 . 1 . 1 174 174 ASN N N 15 122.42 0.05 . . . . . . . 174 ASN N . 50593 1 914 . 1 . 1 175 175 ARG H H 1 8.29 0.01 . . . . . . . 175 ARG H . 50593 1 915 . 1 . 1 175 175 ARG HA H 1 4.35 0.01 . . . . . . . 175 ARG HA . 50593 1 916 . 1 . 1 175 175 ARG C C 13 175.67 0.05 . . . . . . . 175 ARG C . 50593 1 917 . 1 . 1 175 175 ARG CA C 13 55.91 0.05 . . . . . . . 175 ARG CA . 50593 1 918 . 1 . 1 175 175 ARG CB C 13 31.14 0.05 . . . . . . . 175 ARG CB . 50593 1 919 . 1 . 1 175 175 ARG N N 15 121.84 0.05 . . . . . . . 175 ARG N . 50593 1 920 . 1 . 1 176 176 VAL H H 1 8.38 0.01 . . . . . . . 176 VAL H . 50593 1 921 . 1 . 1 176 176 VAL HA H 1 4.04 0.01 . . . . . . . 176 VAL HA . 50593 1 922 . 1 . 1 176 176 VAL C C 13 175.98 0.05 . . . . . . . 176 VAL C . 50593 1 923 . 1 . 1 176 176 VAL CA C 13 62.51 0.05 . . . . . . . 176 VAL CA . 50593 1 924 . 1 . 1 176 176 VAL CB C 13 32.54 0.05 . . . . . . . 176 VAL CB . 50593 1 925 . 1 . 1 176 176 VAL N N 15 123.32 0.05 . . . . . . . 176 VAL N . 50593 1 926 . 1 . 1 177 177 ILE H H 1 8.4 0.01 . . . . . . . 177 ILE H . 50593 1 927 . 1 . 1 177 177 ILE HA H 1 4.25 0.01 . . . . . . . 177 ILE HA . 50593 1 928 . 1 . 1 177 177 ILE C C 13 176.18 0.05 . . . . . . . 177 ILE C . 50593 1 929 . 1 . 1 177 177 ILE CA C 13 60.9 0.05 . . . . . . . 177 ILE CA . 50593 1 930 . 1 . 1 177 177 ILE CB C 13 38.65 0.05 . . . . . . . 177 ILE CB . 50593 1 931 . 1 . 1 177 177 ILE N N 15 126.71 0.05 . . . . . . . 177 ILE N . 50593 1 932 . 1 . 1 178 178 THR H H 1 8.41 0.01 . . . . . . . 178 THR H . 50593 1 933 . 1 . 1 178 178 THR HA H 1 4.68 0.01 . . . . . . . 178 THR HA . 50593 1 934 . 1 . 1 178 178 THR C C 13 174.8 0.05 . . . . . . . 178 THR C . 50593 1 935 . 1 . 1 178 178 THR CA C 13 61.45 0.05 . . . . . . . 178 THR CA . 50593 1 936 . 1 . 1 178 178 THR CB C 13 70.91 0.05 . . . . . . . 178 THR CB . 50593 1 937 . 1 . 1 178 178 THR N N 15 118.39 0.05 . . . . . . . 178 THR N . 50593 1 938 . 1 . 1 179 179 ARG H H 1 8.73 0.01 . . . . . . . 179 ARG H . 50593 1 939 . 1 . 1 179 179 ARG HA H 1 4.12 0.01 . . . . . . . 179 ARG HA . 50593 1 940 . 1 . 1 179 179 ARG C C 13 177.4 0.05 . . . . . . . 179 ARG C . 50593 1 941 . 1 . 1 179 179 ARG CA C 13 58.04 0.05 . . . . . . . 179 ARG CA . 50593 1 942 . 1 . 1 179 179 ARG CB C 13 30.07 0.05 . . . . . . . 179 ARG CB . 50593 1 943 . 1 . 1 179 179 ARG N N 15 122.2 0.05 . . . . . . . 179 ARG N . 50593 1 944 . 1 . 1 180 180 GLU H H 1 8.82 0.01 . . . . . . . 180 GLU H . 50593 1 945 . 1 . 1 180 180 GLU HA H 1 4.07 0.01 . . . . . . . 180 GLU HA . 50593 1 946 . 1 . 1 180 180 GLU C C 13 178.21 0.05 . . . . . . . 180 GLU C . 50593 1 947 . 1 . 1 180 180 GLU CA C 13 58.84 0.05 . . . . . . . 180 GLU CA . 50593 1 948 . 1 . 1 180 180 GLU CB C 13 29.41 0.05 . . . . . . . 180 GLU CB . 50593 1 949 . 1 . 1 180 180 GLU N N 15 119.79 0.05 . . . . . . . 180 GLU N . 50593 1 950 . 1 . 1 181 181 GLU H H 1 8.09 0.01 . . . . . . . 181 GLU H . 50593 1 951 . 1 . 1 181 181 GLU HA H 1 4.11 0.01 . . . . . . . 181 GLU HA . 50593 1 952 . 1 . 1 181 181 GLU C C 13 177.9 0.05 . . . . . . . 181 GLU C . 50593 1 953 . 1 . 1 181 181 GLU CA C 13 57.84 0.05 . . . . . . . 181 GLU CA . 50593 1 954 . 1 . 1 181 181 GLU CB C 13 30.11 0.05 . . . . . . . 181 GLU CB . 50593 1 955 . 1 . 1 181 181 GLU N N 15 120.88 0.05 . . . . . . . 181 GLU N . 50593 1 956 . 1 . 1 182 182 LEU H H 1 8.19 0.01 . . . . . . . 182 LEU H . 50593 1 957 . 1 . 1 182 182 LEU HA H 1 4.15 0.01 . . . . . . . 182 LEU HA . 50593 1 958 . 1 . 1 182 182 LEU C C 13 178.97 0.05 . . . . . . . 182 LEU C . 50593 1 959 . 1 . 1 182 182 LEU CA C 13 56.64 0.05 . . . . . . . 182 LEU CA . 50593 1 960 . 1 . 1 182 182 LEU CB C 13 42.11 0.05 . . . . . . . 182 LEU CB . 50593 1 961 . 1 . 1 182 182 LEU N N 15 121.45 0.05 . . . . . . . 182 LEU N . 50593 1 962 . 1 . 1 183 183 GLU H H 1 8.32 0.01 . . . . . . . 183 GLU H . 50593 1 963 . 1 . 1 183 183 GLU HA H 1 4.1 0.01 . . . . . . . 183 GLU HA . 50593 1 964 . 1 . 1 183 183 GLU C C 13 177 0.05 . . . . . . . 183 GLU C . 50593 1 965 . 1 . 1 183 183 GLU CA C 13 57.53 0.05 . . . . . . . 183 GLU CA . 50593 1 966 . 1 . 1 183 183 GLU CB C 13 29.77 0.05 . . . . . . . 183 GLU CB . 50593 1 967 . 1 . 1 183 183 GLU N N 15 119.82 0.05 . . . . . . . 183 GLU N . 50593 1 968 . 1 . 1 184 184 ALA H H 1 7.83 0.01 . . . . . . . 184 ALA H . 50593 1 969 . 1 . 1 184 184 ALA HA H 1 4.26 0.01 . . . . . . . 184 ALA HA . 50593 1 970 . 1 . 1 184 184 ALA C C 13 177.97 0.05 . . . . . . . 184 ALA C . 50593 1 971 . 1 . 1 184 184 ALA CA C 13 52.87 0.05 . . . . . . . 184 ALA CA . 50593 1 972 . 1 . 1 184 184 ALA CB C 13 18.86 0.05 . . . . . . . 184 ALA CB . 50593 1 973 . 1 . 1 184 184 ALA N N 15 122.27 0.05 . . . . . . . 184 ALA N . 50593 1 974 . 1 . 1 185 185 LEU H H 1 7.91 0.01 . . . . . . . 185 LEU H . 50593 1 975 . 1 . 1 185 185 LEU HA H 1 4.33 0.01 . . . . . . . 185 LEU HA . 50593 1 976 . 1 . 1 185 185 LEU C C 13 177.55 0.05 . . . . . . . 185 LEU C . 50593 1 977 . 1 . 1 185 185 LEU CA C 13 55.33 0.05 . . . . . . . 185 LEU CA . 50593 1 978 . 1 . 1 185 185 LEU CB C 13 42.47 0.05 . . . . . . . 185 LEU CB . 50593 1 979 . 1 . 1 185 185 LEU N N 15 119.57 0.05 . . . . . . . 185 LEU N . 50593 1 980 . 1 . 1 186 186 THR H H 1 8.05 0.01 . . . . . . . 186 THR H . 50593 1 981 . 1 . 1 186 186 THR HA H 1 4.55 0.01 . . . . . . . 186 THR HA . 50593 1 982 . 1 . 1 186 186 THR C C 13 172.56 0.05 . . . . . . . 186 THR C . 50593 1 983 . 1 . 1 186 186 THR CA C 13 59.88 0.05 . . . . . . . 186 THR CA . 50593 1 984 . 1 . 1 186 186 THR CB C 13 69.89 0.05 . . . . . . . 186 THR CB . 50593 1 985 . 1 . 1 186 186 THR N N 15 116.87 0.05 . . . . . . . 186 THR N . 50593 1 986 . 1 . 1 187 187 PRO HA H 1 4.45 0.01 . . . . . . . 187 PRO HA . 50593 1 987 . 1 . 1 187 187 PRO C C 13 177.01 0.05 . . . . . . . 187 PRO C . 50593 1 988 . 1 . 1 187 187 PRO CA C 13 63.22 0.05 . . . . . . . 187 PRO CA . 50593 1 989 . 1 . 1 187 187 PRO CB C 13 32.23 0.05 . . . . . . . 187 PRO CB . 50593 1 990 . 1 . 1 188 188 SER H H 1 8.59 0.01 . . . . . . . 188 SER H . 50593 1 991 . 1 . 1 188 188 SER HA H 1 4.4 0.01 . . . . . . . 188 SER HA . 50593 1 992 . 1 . 1 188 188 SER C C 13 173.71 0.05 . . . . . . . 188 SER C . 50593 1 993 . 1 . 1 188 188 SER CA C 13 58.55 0.05 . . . . . . . 188 SER CA . 50593 1 994 . 1 . 1 188 188 SER CB C 13 63.88 0.05 . . . . . . . 188 SER CB . 50593 1 995 . 1 . 1 188 188 SER N N 15 117.07 0.05 . . . . . . . 188 SER N . 50593 1 996 . 1 . 1 189 189 ARG H H 1 8.06 0.01 . . . . . . . 189 ARG H . 50593 1 997 . 1 . 1 189 189 ARG CA C 13 57.46 0.05 . . . . . . . 189 ARG CA . 50593 1 998 . 1 . 1 189 189 ARG CB C 13 31.44 0.05 . . . . . . . 189 ARG CB . 50593 1 999 . 1 . 1 189 189 ARG N N 15 127.7 0.05 . . . . . . . 189 ARG N . 50593 1 stop_ save_