data_51887 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51887 _Entry.Title ; Abf2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-03-27 _Entry.Accession_date 2023-03-27 _Entry.Last_release_date 2023-03-27 _Entry.Original_release_date 2023-03-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jens Lidmann . . . . 51887 2 Ylber Sallova . . . . 51887 3 Irena Matecko-Burmann . . . . 51887 4 Bjorn Burmann . M. . 0000-0002-3135-7964 51887 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51887 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 51887 '15N chemical shifts' 136 51887 '1H chemical shifts' 338 51887 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 . . 2023-09-01 . original BMRB . 51887 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51891 'Abf2 HMG1' 51887 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51887 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37543301 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure and dynamics of the mitochondrial DNA-compaction factor Abf2 from S. cerevisiae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 215 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-8657 _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 108008 _Citation.Page_last 108008 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jens Lidmann . . . . 51887 1 2 Ylber Sallova . . . . 51887 1 3 Irena Matecko-Burmann . . . . 51887 1 4 Bjorn Burmann . M. . . 51887 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51887 _Assembly.ID 1 _Assembly.Name Abf2 _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 Abf2 1 $entity_1 . . yes native no no . . . 51887 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51887 _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 ; KASKRTQLRNELIKQGPKRP TSAYFLYLQDHRSQFVKENP TLRPAEISKIAGEKWQNLEA DIKEKYISERKKLYSEYQKA KKEFDEKLPPKKPAGPFIKY ANEVRSQVFAQHPDKSQLDL MKIIGDKWQSLDQSIKDKYI QEYKKAIQEYNARYPLN ; _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 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 27 LYS . 51887 1 2 28 ALA . 51887 1 3 29 SER . 51887 1 4 30 LYS . 51887 1 5 31 ARG . 51887 1 6 32 THR . 51887 1 7 33 GLN . 51887 1 8 34 LEU . 51887 1 9 35 ARG . 51887 1 10 36 ASN . 51887 1 11 37 GLU . 51887 1 12 38 LEU . 51887 1 13 39 ILE . 51887 1 14 40 LYS . 51887 1 15 41 GLN . 51887 1 16 42 GLY . 51887 1 17 43 PRO . 51887 1 18 44 LYS . 51887 1 19 45 ARG . 51887 1 20 46 PRO . 51887 1 21 47 THR . 51887 1 22 48 SER . 51887 1 23 49 ALA . 51887 1 24 50 TYR . 51887 1 25 51 PHE . 51887 1 26 52 LEU . 51887 1 27 53 TYR . 51887 1 28 54 LEU . 51887 1 29 55 GLN . 51887 1 30 56 ASP . 51887 1 31 57 HIS . 51887 1 32 58 ARG . 51887 1 33 59 SER . 51887 1 34 60 GLN . 51887 1 35 61 PHE . 51887 1 36 62 VAL . 51887 1 37 63 LYS . 51887 1 38 64 GLU . 51887 1 39 65 ASN . 51887 1 40 66 PRO . 51887 1 41 67 THR . 51887 1 42 68 LEU . 51887 1 43 69 ARG . 51887 1 44 70 PRO . 51887 1 45 71 ALA . 51887 1 46 72 GLU . 51887 1 47 73 ILE . 51887 1 48 74 SER . 51887 1 49 75 LYS . 51887 1 50 76 ILE . 51887 1 51 77 ALA . 51887 1 52 78 GLY . 51887 1 53 79 GLU . 51887 1 54 80 LYS . 51887 1 55 81 TRP . 51887 1 56 82 GLN . 51887 1 57 83 ASN . 51887 1 58 84 LEU . 51887 1 59 85 GLU . 51887 1 60 86 ALA . 51887 1 61 87 ASP . 51887 1 62 88 ILE . 51887 1 63 89 LYS . 51887 1 64 90 GLU . 51887 1 65 91 LYS . 51887 1 66 92 TYR . 51887 1 67 93 ILE . 51887 1 68 94 SER . 51887 1 69 95 GLU . 51887 1 70 96 ARG . 51887 1 71 97 LYS . 51887 1 72 98 LYS . 51887 1 73 99 LEU . 51887 1 74 100 TYR . 51887 1 75 101 SER . 51887 1 76 102 GLU . 51887 1 77 103 TYR . 51887 1 78 104 GLN . 51887 1 79 105 LYS . 51887 1 80 106 ALA . 51887 1 81 107 LYS . 51887 1 82 108 LYS . 51887 1 83 109 GLU . 51887 1 84 110 PHE . 51887 1 85 111 ASP . 51887 1 86 112 GLU . 51887 1 87 113 LYS . 51887 1 88 114 LEU . 51887 1 89 115 PRO . 51887 1 90 116 PRO . 51887 1 91 117 LYS . 51887 1 92 118 LYS . 51887 1 93 119 PRO . 51887 1 94 120 ALA . 51887 1 95 121 GLY . 51887 1 96 122 PRO . 51887 1 97 123 PHE . 51887 1 98 124 ILE . 51887 1 99 125 LYS . 51887 1 100 126 TYR . 51887 1 101 127 ALA . 51887 1 102 128 ASN . 51887 1 103 129 GLU . 51887 1 104 130 VAL . 51887 1 105 131 ARG . 51887 1 106 132 SER . 51887 1 107 133 GLN . 51887 1 108 134 VAL . 51887 1 109 135 PHE . 51887 1 110 136 ALA . 51887 1 111 137 GLN . 51887 1 112 138 HIS . 51887 1 113 139 PRO . 51887 1 114 140 ASP . 51887 1 115 141 LYS . 51887 1 116 142 SER . 51887 1 117 143 GLN . 51887 1 118 144 LEU . 51887 1 119 145 ASP . 51887 1 120 146 LEU . 51887 1 121 147 MET . 51887 1 122 148 LYS . 51887 1 123 149 ILE . 51887 1 124 150 ILE . 51887 1 125 151 GLY . 51887 1 126 152 ASP . 51887 1 127 153 LYS . 51887 1 128 154 TRP . 51887 1 129 155 GLN . 51887 1 130 156 SER . 51887 1 131 157 LEU . 51887 1 132 158 ASP . 51887 1 133 159 GLN . 51887 1 134 160 SER . 51887 1 135 161 ILE . 51887 1 136 162 LYS . 51887 1 137 163 ASP . 51887 1 138 164 LYS . 51887 1 139 165 TYR . 51887 1 140 166 ILE . 51887 1 141 167 GLN . 51887 1 142 168 GLU . 51887 1 143 169 TYR . 51887 1 144 170 LYS . 51887 1 145 171 LYS . 51887 1 146 172 ALA . 51887 1 147 173 ILE . 51887 1 148 174 GLN . 51887 1 149 175 GLU . 51887 1 150 176 TYR . 51887 1 151 177 ASN . 51887 1 152 178 ALA . 51887 1 153 179 ARG . 51887 1 154 180 TYR . 51887 1 155 181 PRO . 51887 1 156 182 LEU . 51887 1 157 183 ASN . 51887 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 . LYS 1 1 51887 1 . ALA 2 2 51887 1 . SER 3 3 51887 1 . LYS 4 4 51887 1 . ARG 5 5 51887 1 . THR 6 6 51887 1 . GLN 7 7 51887 1 . LEU 8 8 51887 1 . ARG 9 9 51887 1 . ASN 10 10 51887 1 . GLU 11 11 51887 1 . LEU 12 12 51887 1 . ILE 13 13 51887 1 . LYS 14 14 51887 1 . GLN 15 15 51887 1 . GLY 16 16 51887 1 . PRO 17 17 51887 1 . LYS 18 18 51887 1 . ARG 19 19 51887 1 . PRO 20 20 51887 1 . THR 21 21 51887 1 . SER 22 22 51887 1 . ALA 23 23 51887 1 . TYR 24 24 51887 1 . PHE 25 25 51887 1 . LEU 26 26 51887 1 . TYR 27 27 51887 1 . LEU 28 28 51887 1 . GLN 29 29 51887 1 . ASP 30 30 51887 1 . HIS 31 31 51887 1 . ARG 32 32 51887 1 . SER 33 33 51887 1 . GLN 34 34 51887 1 . PHE 35 35 51887 1 . VAL 36 36 51887 1 . LYS 37 37 51887 1 . GLU 38 38 51887 1 . ASN 39 39 51887 1 . PRO 40 40 51887 1 . THR 41 41 51887 1 . LEU 42 42 51887 1 . ARG 43 43 51887 1 . PRO 44 44 51887 1 . ALA 45 45 51887 1 . GLU 46 46 51887 1 . ILE 47 47 51887 1 . SER 48 48 51887 1 . LYS 49 49 51887 1 . ILE 50 50 51887 1 . ALA 51 51 51887 1 . GLY 52 52 51887 1 . GLU 53 53 51887 1 . LYS 54 54 51887 1 . TRP 55 55 51887 1 . GLN 56 56 51887 1 . ASN 57 57 51887 1 . LEU 58 58 51887 1 . GLU 59 59 51887 1 . ALA 60 60 51887 1 . ASP 61 61 51887 1 . ILE 62 62 51887 1 . LYS 63 63 51887 1 . GLU 64 64 51887 1 . LYS 65 65 51887 1 . TYR 66 66 51887 1 . ILE 67 67 51887 1 . SER 68 68 51887 1 . GLU 69 69 51887 1 . ARG 70 70 51887 1 . LYS 71 71 51887 1 . LYS 72 72 51887 1 . LEU 73 73 51887 1 . TYR 74 74 51887 1 . SER 75 75 51887 1 . GLU 76 76 51887 1 . TYR 77 77 51887 1 . GLN 78 78 51887 1 . LYS 79 79 51887 1 . ALA 80 80 51887 1 . LYS 81 81 51887 1 . LYS 82 82 51887 1 . GLU 83 83 51887 1 . PHE 84 84 51887 1 . ASP 85 85 51887 1 . GLU 86 86 51887 1 . LYS 87 87 51887 1 . LEU 88 88 51887 1 . PRO 89 89 51887 1 . PRO 90 90 51887 1 . LYS 91 91 51887 1 . LYS 92 92 51887 1 . PRO 93 93 51887 1 . ALA 94 94 51887 1 . GLY 95 95 51887 1 . PRO 96 96 51887 1 . PHE 97 97 51887 1 . ILE 98 98 51887 1 . LYS 99 99 51887 1 . TYR 100 100 51887 1 . ALA 101 101 51887 1 . ASN 102 102 51887 1 . GLU 103 103 51887 1 . VAL 104 104 51887 1 . ARG 105 105 51887 1 . SER 106 106 51887 1 . GLN 107 107 51887 1 . VAL 108 108 51887 1 . PHE 109 109 51887 1 . ALA 110 110 51887 1 . GLN 111 111 51887 1 . HIS 112 112 51887 1 . PRO 113 113 51887 1 . ASP 114 114 51887 1 . LYS 115 115 51887 1 . SER 116 116 51887 1 . GLN 117 117 51887 1 . LEU 118 118 51887 1 . ASP 119 119 51887 1 . LEU 120 120 51887 1 . MET 121 121 51887 1 . LYS 122 122 51887 1 . ILE 123 123 51887 1 . ILE 124 124 51887 1 . GLY 125 125 51887 1 . ASP 126 126 51887 1 . LYS 127 127 51887 1 . TRP 128 128 51887 1 . GLN 129 129 51887 1 . SER 130 130 51887 1 . LEU 131 131 51887 1 . ASP 132 132 51887 1 . GLN 133 133 51887 1 . SER 134 134 51887 1 . ILE 135 135 51887 1 . LYS 136 136 51887 1 . ASP 137 137 51887 1 . LYS 138 138 51887 1 . TYR 139 139 51887 1 . ILE 140 140 51887 1 . GLN 141 141 51887 1 . GLU 142 142 51887 1 . TYR 143 143 51887 1 . LYS 144 144 51887 1 . LYS 145 145 51887 1 . ALA 146 146 51887 1 . ILE 147 147 51887 1 . GLN 148 148 51887 1 . GLU 149 149 51887 1 . TYR 150 150 51887 1 . ASN 151 151 51887 1 . ALA 152 152 51887 1 . ARG 153 153 51887 1 . TYR 154 154 51887 1 . PRO 155 155 51887 1 . LEU 156 156 51887 1 . ASN 157 157 51887 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 51887 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21 . . . . . . . . . . . . 51887 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 51887 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28_SUMO . . . 51887 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51887 _Sample.ID 1 _Sample.Name Abf2 _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 Abf2 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 300 700 uM . . . . 51887 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51887 1 3 NaCl 'natural abundance' . . . . . . 800 . . mM . . . . 51887 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51887 1 5 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 51887 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 51887 _Sample_condition_list.ID 1 _Sample_condition_list.Name standard _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' 800 . mM 51887 1 pH 7.0 . pH 51887 1 pressure 1 . atm 51887 1 temperature 288 . K 51887 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51887 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51887 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51887 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51887 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 51887 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NMR800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51887 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51887 1 2 '2D 1H-13C HSQC aliphatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51887 1 3 '3D HCCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51887 1 4 '3D (H)CCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51887 1 5 '3D CBCACONH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51887 1 6 '3D CBCANH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51887 1 7 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51887 1 8 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51887 1 9 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51887 1 10 '3D 1H-13C NOESY aliphatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51887 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 51887 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 51887 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51887 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 51887 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 51887 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Abf2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51887 1 2 '2D 1H-13C HSQC aliphatic' . . . 51887 1 3 '3D HCCH-TOCSY' . . . 51887 1 4 '3D (H)CCH-TOCSY' . . . 51887 1 5 '3D CBCACONH' . . . 51887 1 6 '3D CBCANH' . . . 51887 1 7 '3D HNCO' . . . 51887 1 8 '3D HNCA' . . . 51887 1 10 '3D 1H-13C NOESY aliphatic' . . . 51887 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 2 $software_2 . . 51887 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 LYS CA C 13 54.702 0.3 . 1 . . . . . 27 LYS CA . 51887 1 2 . 1 . 1 1 1 LYS CB C 13 32.352 0.3 . 1 . . . . . 27 LYS CB . 51887 1 3 . 1 . 1 2 2 ALA H H 1 8.534 0.020 . 1 . . . . . 28 ALA H . 51887 1 4 . 1 . 1 2 2 ALA HB1 H 1 1.301 0.020 . 1 . . . . . 28 ALA HB . 51887 1 5 . 1 . 1 2 2 ALA HB2 H 1 1.301 0.020 . 1 . . . . . 28 ALA HB . 51887 1 6 . 1 . 1 2 2 ALA HB3 H 1 1.301 0.020 . 1 . . . . . 28 ALA HB . 51887 1 7 . 1 . 1 2 2 ALA C C 13 177.347 0.3 . 1 . . . . . 28 ALA C . 51887 1 8 . 1 . 1 2 2 ALA CA C 13 51.573 0.3 . 1 . . . . . 28 ALA CA . 51887 1 9 . 1 . 1 2 2 ALA CB C 13 18.993 0.3 . 1 . . . . . 28 ALA CB . 51887 1 10 . 1 . 1 2 2 ALA N N 15 127.500 0.3 . 1 . . . . . 28 ALA N . 51887 1 11 . 1 . 1 3 3 SER H H 1 8.337 0.020 . 1 . . . . . 29 SER H . 51887 1 12 . 1 . 1 3 3 SER C C 13 174.386 0.3 . 1 . . . . . 29 SER C . 51887 1 13 . 1 . 1 3 3 SER CA C 13 57.171 0.3 . 1 . . . . . 29 SER CA . 51887 1 14 . 1 . 1 3 3 SER CB C 13 63.363 0.3 . 1 . . . . . 29 SER CB . 51887 1 15 . 1 . 1 3 3 SER N N 15 117.133 0.3 . 1 . . . . . 29 SER N . 51887 1 16 . 1 . 1 4 4 LYS H H 1 8.307 0.020 . 1 . . . . . 30 LYS H . 51887 1 17 . 1 . 1 4 4 LYS C C 13 176.560 0.3 . 1 . . . . . 30 LYS C . 51887 1 18 . 1 . 1 4 4 LYS CA C 13 56.128 0.3 . 1 . . . . . 30 LYS CA . 51887 1 19 . 1 . 1 4 4 LYS CB C 13 32.006 0.3 . 1 . . . . . 30 LYS CB . 51887 1 20 . 1 . 1 4 4 LYS N N 15 124.035 0.3 . 1 . . . . . 30 LYS N . 51887 1 21 . 1 . 1 5 5 ARG H H 1 8.202 0.020 . 1 . . . . . 31 ARG H . 51887 1 22 . 1 . 1 5 5 ARG C C 13 176.541 0.3 . 1 . . . . . 31 ARG C . 51887 1 23 . 1 . 1 5 5 ARG CA C 13 56.107 0.3 . 1 . . . . . 31 ARG CA . 51887 1 24 . 1 . 1 5 5 ARG CB C 13 29.793 0.3 . 1 . . . . . 31 ARG CB . 51887 1 25 . 1 . 1 5 5 ARG N N 15 122.056 0.3 . 1 . . . . . 31 ARG N . 51887 1 26 . 1 . 1 6 6 THR H H 1 7.951 0.020 . 1 . . . . . 32 THR H . 51887 1 27 . 1 . 1 6 6 THR HA H 1 4.130 0.020 . 1 . . . . . 32 THR HA . 51887 1 28 . 1 . 1 6 6 THR HB H 1 4.088 0.020 . 1 . . . . . 32 THR HB . 51887 1 29 . 1 . 1 6 6 THR HG21 H 1 1.095 0.020 . 1 . . . . . 32 THR HG2 . 51887 1 30 . 1 . 1 6 6 THR HG22 H 1 1.095 0.020 . 1 . . . . . 32 THR HG2 . 51887 1 31 . 1 . 1 6 6 THR HG23 H 1 1.095 0.020 . 1 . . . . . 32 THR HG2 . 51887 1 32 . 1 . 1 6 6 THR C C 13 174.235 0.3 . 1 . . . . . 32 THR C . 51887 1 33 . 1 . 1 6 6 THR CA C 13 62.115 0.3 . 1 . . . . . 32 THR CA . 51887 1 34 . 1 . 1 6 6 THR CB C 13 68.584 0.3 . 1 . . . . . 32 THR CB . 51887 1 35 . 1 . 1 6 6 THR CG2 C 13 21.331 0.3 . 1 . . . . . 32 THR CG2 . 51887 1 36 . 1 . 1 6 6 THR N N 15 116.771 0.3 . 1 . . . . . 32 THR N . 51887 1 37 . 1 . 1 7 7 GLN H H 1 8.181 0.020 . 1 . . . . . 33 GLN H . 51887 1 38 . 1 . 1 7 7 GLN C C 13 175.716 0.3 . 1 . . . . . 33 GLN C . 51887 1 39 . 1 . 1 7 7 GLN CA C 13 55.543 0.3 . 1 . . . . . 33 GLN CA . 51887 1 40 . 1 . 1 7 7 GLN CB C 13 28.553 0.3 . 1 . . . . . 33 GLN CB . 51887 1 41 . 1 . 1 7 7 GLN N N 15 123.015 0.3 . 1 . . . . . 33 GLN N . 51887 1 42 . 1 . 1 8 8 LEU H H 1 8.108 0.020 . 1 . . . . . 34 LEU H . 51887 1 43 . 1 . 1 8 8 LEU HD11 H 1 0.809 0.020 . 2 . . . . . 34 LEU HD1 . 51887 1 44 . 1 . 1 8 8 LEU HD12 H 1 0.809 0.020 . 2 . . . . . 34 LEU HD1 . 51887 1 45 . 1 . 1 8 8 LEU HD13 H 1 0.809 0.020 . 2 . . . . . 34 LEU HD1 . 51887 1 46 . 1 . 1 8 8 LEU HD21 H 1 0.750 0.020 . 2 . . . . . 34 LEU HD2 . 51887 1 47 . 1 . 1 8 8 LEU HD22 H 1 0.750 0.020 . 2 . . . . . 34 LEU HD2 . 51887 1 48 . 1 . 1 8 8 LEU HD23 H 1 0.750 0.020 . 2 . . . . . 34 LEU HD2 . 51887 1 49 . 1 . 1 8 8 LEU C C 13 177.328 0.3 . 1 . . . . . 34 LEU C . 51887 1 50 . 1 . 1 8 8 LEU CA C 13 54.822 0.3 . 1 . . . . . 34 LEU CA . 51887 1 51 . 1 . 1 8 8 LEU CB C 13 41.355 0.3 . 1 . . . . . 34 LEU CB . 51887 1 52 . 1 . 1 8 8 LEU CD1 C 13 24.554 0.3 . 1 . . . . . 34 LEU CD1 . 51887 1 53 . 1 . 1 8 8 LEU CD2 C 13 23.068 0.3 . 1 . . . . . 34 LEU CD2 . 51887 1 54 . 1 . 1 8 8 LEU N N 15 123.240 0.3 . 1 . . . . . 34 LEU N . 51887 1 55 . 1 . 1 9 9 ARG H H 1 8.162 0.020 . 1 . . . . . 35 ARG H . 51887 1 56 . 1 . 1 9 9 ARG C C 13 176.156 0.3 . 1 . . . . . 35 ARG C . 51887 1 57 . 1 . 1 9 9 ARG CA C 13 55.903 0.3 . 1 . . . . . 35 ARG CA . 51887 1 58 . 1 . 1 9 9 ARG CB C 13 31.228 0.3 . 1 . . . . . 35 ARG CB . 51887 1 59 . 1 . 1 9 9 ARG N N 15 121.982 0.3 . 1 . . . . . 35 ARG N . 51887 1 60 . 1 . 1 10 10 ASN H H 1 8.227 0.020 . 1 . . . . . 36 ASN H . 51887 1 61 . 1 . 1 10 10 ASN C C 13 175.341 0.3 . 1 . . . . . 36 ASN C . 51887 1 62 . 1 . 1 10 10 ASN CA C 13 53.134 0.3 . 1 . . . . . 36 ASN CA . 51887 1 63 . 1 . 1 10 10 ASN CB C 13 37.653 0.3 . 1 . . . . . 36 ASN CB . 51887 1 64 . 1 . 1 10 10 ASN N N 15 119.104 0.3 . 1 . . . . . 36 ASN N . 51887 1 65 . 1 . 1 11 11 GLU H H 1 8.177 0.020 . 1 . . . . . 37 GLU H . 51887 1 66 . 1 . 1 11 11 GLU C C 13 176.504 0.3 . 1 . . . . . 37 GLU C . 51887 1 67 . 1 . 1 11 11 GLU CA C 13 56.322 0.3 . 1 . . . . . 37 GLU CA . 51887 1 68 . 1 . 1 11 11 GLU CB C 13 29.381 0.3 . 1 . . . . . 37 GLU CB . 51887 1 69 . 1 . 1 11 11 GLU N N 15 121.083 0.3 . 1 . . . . . 37 GLU N . 51887 1 70 . 1 . 1 12 12 LEU H H 1 7.907 0.020 . 1 . . . . . 38 LEU H . 51887 1 71 . 1 . 1 12 12 LEU HD11 H 1 0.745 0.020 . 2 . . . . . 38 LEU HD1 . 51887 1 72 . 1 . 1 12 12 LEU HD12 H 1 0.745 0.020 . 2 . . . . . 38 LEU HD1 . 51887 1 73 . 1 . 1 12 12 LEU HD13 H 1 0.745 0.020 . 2 . . . . . 38 LEU HD1 . 51887 1 74 . 1 . 1 12 12 LEU HD21 H 1 0.732 0.020 . 2 . . . . . 38 LEU HD2 . 51887 1 75 . 1 . 1 12 12 LEU HD22 H 1 0.732 0.020 . 2 . . . . . 38 LEU HD2 . 51887 1 76 . 1 . 1 12 12 LEU HD23 H 1 0.732 0.020 . 2 . . . . . 38 LEU HD2 . 51887 1 77 . 1 . 1 12 12 LEU C C 13 177.516 0.3 . 1 . . . . . 38 LEU C . 51887 1 78 . 1 . 1 12 12 LEU CA C 13 55.082 0.3 . 1 . . . . . 38 LEU CA . 51887 1 79 . 1 . 1 12 12 LEU CB C 13 40.783 0.3 . 1 . . . . . 38 LEU CB . 51887 1 80 . 1 . 1 12 12 LEU CD1 C 13 22.736 0.3 . 1 . . . . . 38 LEU CD1 . 51887 1 81 . 1 . 1 12 12 LEU CD2 C 13 22.939 0.3 . 1 . . . . . 38 LEU CD2 . 51887 1 82 . 1 . 1 12 12 LEU N N 15 122.075 0.3 . 1 . . . . . 38 LEU N . 51887 1 83 . 1 . 1 13 13 ILE H H 1 7.769 0.020 . 1 . . . . . 39 ILE H . 51887 1 84 . 1 . 1 13 13 ILE HG21 H 1 0.799 0.020 . 1 . . . . . 39 ILE HG2 . 51887 1 85 . 1 . 1 13 13 ILE HG22 H 1 0.799 0.020 . 1 . . . . . 39 ILE HG2 . 51887 1 86 . 1 . 1 13 13 ILE HG23 H 1 0.799 0.020 . 1 . . . . . 39 ILE HG2 . 51887 1 87 . 1 . 1 13 13 ILE HD11 H 1 0.736 0.020 . 1 . . . . . 39 ILE HD1 . 51887 1 88 . 1 . 1 13 13 ILE HD12 H 1 0.736 0.020 . 1 . . . . . 39 ILE HD1 . 51887 1 89 . 1 . 1 13 13 ILE HD13 H 1 0.736 0.020 . 1 . . . . . 39 ILE HD1 . 51887 1 90 . 1 . 1 13 13 ILE C C 13 176.241 0.3 . 1 . . . . . 39 ILE C . 51887 1 91 . 1 . 1 13 13 ILE CA C 13 60.749 0.3 . 1 . . . . . 39 ILE CA . 51887 1 92 . 1 . 1 13 13 ILE CB C 13 37.274 0.3 . 1 . . . . . 39 ILE CB . 51887 1 93 . 1 . 1 13 13 ILE CG2 C 13 16.969 0.3 . 1 . . . . . 39 ILE CG2 . 51887 1 94 . 1 . 1 13 13 ILE CD1 C 13 12.349 0.3 . 1 . . . . . 39 ILE CD1 . 51887 1 95 . 1 . 1 13 13 ILE N N 15 121.020 0.3 . 1 . . . . . 39 ILE N . 51887 1 96 . 1 . 1 14 14 LYS H H 1 8.104 0.020 . 1 . . . . . 40 LYS H . 51887 1 97 . 1 . 1 14 14 LYS C C 13 176.201 0.3 . 1 . . . . . 40 LYS C . 51887 1 98 . 1 . 1 14 14 LYS CA C 13 55.778 0.3 . 1 . . . . . 40 LYS CA . 51887 1 99 . 1 . 1 14 14 LYS CB C 13 31.928 0.3 . 1 . . . . . 40 LYS CB . 51887 1 100 . 1 . 1 14 14 LYS N N 15 125.519 0.3 . 1 . . . . . 40 LYS N . 51887 1 101 . 1 . 1 15 15 GLN H H 1 8.111 0.020 . 1 . . . . . 41 GLN H . 51887 1 102 . 1 . 1 15 15 GLN C C 13 175.754 0.3 . 1 . . . . . 41 GLN C . 51887 1 103 . 1 . 1 15 15 GLN CA C 13 54.859 0.3 . 1 . . . . . 41 GLN CA . 51887 1 104 . 1 . 1 15 15 GLN CB C 13 29.563 0.3 . 1 . . . . . 41 GLN CB . 51887 1 105 . 1 . 1 15 15 GLN N N 15 121.709 0.3 . 1 . . . . . 41 GLN N . 51887 1 106 . 1 . 1 16 16 GLY H H 1 7.777 0.020 . 1 . . . . . 42 GLY H . 51887 1 107 . 1 . 1 16 16 GLY CA C 13 44.059 0.3 . 1 . . . . . 42 GLY CA . 51887 1 108 . 1 . 1 16 16 GLY N N 15 109.903 0.3 . 1 . . . . . 42 GLY N . 51887 1 109 . 1 . 1 17 17 PRO CA C 13 62.036 0.3 . 1 . . . . . 43 PRO CA . 51887 1 110 . 1 . 1 17 17 PRO CB C 13 31.193 0.3 . 1 . . . . . 43 PRO CB . 51887 1 111 . 1 . 1 18 18 LYS H H 1 8.313 0.020 . 1 . . . . . 44 LYS H . 51887 1 112 . 1 . 1 18 18 LYS CA C 13 54.702 0.3 . 1 . . . . . 44 LYS CA . 51887 1 113 . 1 . 1 18 18 LYS CB C 13 32.181 0.3 . 1 . . . . . 44 LYS CB . 51887 1 114 . 1 . 1 18 18 LYS N N 15 122.450 0.3 . 1 . . . . . 44 LYS N . 51887 1 115 . 1 . 1 19 19 ARG H H 1 8.186 0.020 . 1 . . . . . 45 ARG H . 51887 1 116 . 1 . 1 19 19 ARG CA C 13 53.286 0.3 . 1 . . . . . 45 ARG CA . 51887 1 117 . 1 . 1 19 19 ARG N N 15 125.948 0.3 . 1 . . . . . 45 ARG N . 51887 1 118 . 1 . 1 20 20 PRO C C 13 176.564 0.3 . 1 . . . . . 46 PRO C . 51887 1 119 . 1 . 1 20 20 PRO CA C 13 62.567 0.3 . 1 . . . . . 46 PRO CA . 51887 1 120 . 1 . 1 21 21 THR H H 1 7.776 0.020 . 1 . . . . . 47 THR H . 51887 1 121 . 1 . 1 21 21 THR HG21 H 1 1.094 0.020 . 1 . . . . . 47 THR HG2 . 51887 1 122 . 1 . 1 21 21 THR HG22 H 1 1.094 0.020 . 1 . . . . . 47 THR HG2 . 51887 1 123 . 1 . 1 21 21 THR HG23 H 1 1.094 0.020 . 1 . . . . . 47 THR HG2 . 51887 1 124 . 1 . 1 21 21 THR CA C 13 60.282 0.3 . 1 . . . . . 47 THR CA . 51887 1 125 . 1 . 1 21 21 THR CB C 13 69.013 0.3 . 1 . . . . . 47 THR CB . 51887 1 126 . 1 . 1 21 21 THR CG2 C 13 21.209 0.3 . 1 . . . . . 47 THR CG2 . 51887 1 127 . 1 . 1 21 21 THR N N 15 114.664 0.3 . 1 . . . . . 47 THR N . 51887 1 128 . 1 . 1 22 22 SER H H 1 7.956 0.020 . 1 . . . . . 48 SER H . 51887 1 129 . 1 . 1 22 22 SER CA C 13 61.083 0.3 . 1 . . . . . 48 SER CA . 51887 1 130 . 1 . 1 22 22 SER CB C 13 64.992 0.3 . 1 . . . . . 48 SER CB . 51887 1 131 . 1 . 1 22 22 SER N N 15 116.506 0.3 . 1 . . . . . 48 SER N . 51887 1 132 . 1 . 1 23 23 ALA H H 1 8.885 0.020 . 1 . . . . . 49 ALA H . 51887 1 133 . 1 . 1 23 23 ALA HB1 H 1 1.520 0.020 . 1 . . . . . 49 ALA HB . 51887 1 134 . 1 . 1 23 23 ALA HB2 H 1 1.520 0.020 . 1 . . . . . 49 ALA HB . 51887 1 135 . 1 . 1 23 23 ALA HB3 H 1 1.520 0.020 . 1 . . . . . 49 ALA HB . 51887 1 136 . 1 . 1 23 23 ALA CA C 13 55.150 0.3 . 1 . . . . . 49 ALA CA . 51887 1 137 . 1 . 1 23 23 ALA CB C 13 18.261 0.3 . 1 . . . . . 49 ALA CB . 51887 1 138 . 1 . 1 23 23 ALA N N 15 124.531 0.3 . 1 . . . . . 49 ALA N . 51887 1 139 . 1 . 1 24 24 TYR H H 1 7.712 0.020 . 1 . . . . . 50 TYR H . 51887 1 140 . 1 . 1 24 24 TYR CA C 13 56.366 0.3 . 1 . . . . . 50 TYR CA . 51887 1 141 . 1 . 1 24 24 TYR CB C 13 35.348 0.3 . 1 . . . . . 50 TYR CB . 51887 1 142 . 1 . 1 24 24 TYR N N 15 117.231 0.3 . 1 . . . . . 50 TYR N . 51887 1 143 . 1 . 1 25 25 PHE H H 1 7.322 0.020 . 1 . . . . . 51 PHE H . 51887 1 144 . 1 . 1 25 25 PHE N N 15 123.294 0.3 . 1 . . . . . 51 PHE N . 51887 1 145 . 1 . 1 26 26 LEU H H 1 7.542 0.020 . 1 . . . . . 52 LEU H . 51887 1 146 . 1 . 1 26 26 LEU HD11 H 1 0.912 0.020 . 2 . . . . . 52 LEU HD1 . 51887 1 147 . 1 . 1 26 26 LEU HD12 H 1 0.912 0.020 . 2 . . . . . 52 LEU HD1 . 51887 1 148 . 1 . 1 26 26 LEU HD13 H 1 0.912 0.020 . 2 . . . . . 52 LEU HD1 . 51887 1 149 . 1 . 1 26 26 LEU HD21 H 1 0.835 0.020 . 2 . . . . . 52 LEU HD2 . 51887 1 150 . 1 . 1 26 26 LEU HD22 H 1 0.835 0.020 . 2 . . . . . 52 LEU HD2 . 51887 1 151 . 1 . 1 26 26 LEU HD23 H 1 0.835 0.020 . 2 . . . . . 52 LEU HD2 . 51887 1 152 . 1 . 1 26 26 LEU CA C 13 57.375 0.3 . 1 . . . . . 52 LEU CA . 51887 1 153 . 1 . 1 26 26 LEU CB C 13 40.626 0.3 . 1 . . . . . 52 LEU CB . 51887 1 154 . 1 . 1 26 26 LEU CD1 C 13 25.651 0.3 . 1 . . . . . 52 LEU CD1 . 51887 1 155 . 1 . 1 26 26 LEU CD2 C 13 22.086 0.3 . 1 . . . . . 52 LEU CD2 . 51887 1 156 . 1 . 1 26 26 LEU N N 15 121.253 0.3 . 1 . . . . . 52 LEU N . 51887 1 157 . 1 . 1 27 27 TYR H H 1 8.194 0.020 . 1 . . . . . 53 TYR H . 51887 1 158 . 1 . 1 27 27 TYR CA C 13 57.782 0.3 . 1 . . . . . 53 TYR CA . 51887 1 159 . 1 . 1 27 27 TYR CB C 13 37.631 0.3 . 1 . . . . . 53 TYR CB . 51887 1 160 . 1 . 1 27 27 TYR N N 15 119.502 0.3 . 1 . . . . . 53 TYR N . 51887 1 161 . 1 . 1 28 28 LEU H H 1 7.904 0.020 . 1 . . . . . 54 LEU H . 51887 1 162 . 1 . 1 28 28 LEU HD11 H 1 0.899 0.020 . 2 . . . . . 54 LEU HD1 . 51887 1 163 . 1 . 1 28 28 LEU HD12 H 1 0.899 0.020 . 2 . . . . . 54 LEU HD1 . 51887 1 164 . 1 . 1 28 28 LEU HD13 H 1 0.899 0.020 . 2 . . . . . 54 LEU HD1 . 51887 1 165 . 1 . 1 28 28 LEU HD21 H 1 0.759 0.020 . 2 . . . . . 54 LEU HD2 . 51887 1 166 . 1 . 1 28 28 LEU HD22 H 1 0.759 0.020 . 2 . . . . . 54 LEU HD2 . 51887 1 167 . 1 . 1 28 28 LEU HD23 H 1 0.759 0.020 . 2 . . . . . 54 LEU HD2 . 51887 1 168 . 1 . 1 28 28 LEU CA C 13 57.310 0.3 . 1 . . . . . 54 LEU CA . 51887 1 169 . 1 . 1 28 28 LEU CB C 13 41.094 0.3 . 1 . . . . . 54 LEU CB . 51887 1 170 . 1 . 1 28 28 LEU CD1 C 13 25.249 0.3 . 1 . . . . . 54 LEU CD1 . 51887 1 171 . 1 . 1 28 28 LEU CD2 C 13 21.848 0.3 . 1 . . . . . 54 LEU CD2 . 51887 1 172 . 1 . 1 28 28 LEU N N 15 119.514 0.3 . 1 . . . . . 54 LEU N . 51887 1 173 . 1 . 1 29 29 GLN H H 1 7.942 0.020 . 1 . . . . . 55 GLN H . 51887 1 174 . 1 . 1 29 29 GLN C C 13 176.241 0.3 . 1 . . . . . 55 GLN C . 51887 1 175 . 1 . 1 29 29 GLN CA C 13 58.097 0.3 . 1 . . . . . 55 GLN CA . 51887 1 176 . 1 . 1 29 29 GLN CB C 13 28.736 0.3 . 1 . . . . . 55 GLN CB . 51887 1 177 . 1 . 1 29 29 GLN N N 15 118.103 0.3 . 1 . . . . . 55 GLN N . 51887 1 178 . 1 . 1 30 30 ASP H H 1 7.584 0.020 . 1 . . . . . 56 ASP H . 51887 1 179 . 1 . 1 30 30 ASP CA C 13 52.380 0.3 . 1 . . . . . 56 ASP CA . 51887 1 180 . 1 . 1 30 30 ASP CB C 13 40.275 0.3 . 1 . . . . . 56 ASP CB . 51887 1 181 . 1 . 1 30 30 ASP N N 15 123.945 0.3 . 1 . . . . . 56 ASP N . 51887 1 182 . 1 . 1 31 31 HIS H H 1 7.957 0.020 . 1 . . . . . 57 HIS H . 51887 1 183 . 1 . 1 31 31 HIS C C 13 177.741 0.3 . 1 . . . . . 57 HIS C . 51887 1 184 . 1 . 1 31 31 HIS CA C 13 55.342 0.3 . 1 . . . . . 57 HIS CA . 51887 1 185 . 1 . 1 31 31 HIS CB C 13 23.485 0.3 . 1 . . . . . 57 HIS CB . 51887 1 186 . 1 . 1 31 31 HIS N N 15 122.988 0.3 . 1 . . . . . 57 HIS N . 51887 1 187 . 1 . 1 32 32 ARG H H 1 7.930 0.020 . 1 . . . . . 58 ARG H . 51887 1 188 . 1 . 1 32 32 ARG C C 13 176.849 0.3 . 1 . . . . . 58 ARG C . 51887 1 189 . 1 . 1 32 32 ARG CA C 13 57.562 0.3 . 1 . . . . . 58 ARG CA . 51887 1 190 . 1 . 1 32 32 ARG CB C 13 29.027 0.3 . 1 . . . . . 58 ARG CB . 51887 1 191 . 1 . 1 32 32 ARG N N 15 120.574 0.3 . 1 . . . . . 58 ARG N . 51887 1 192 . 1 . 1 33 33 SER H H 1 8.685 0.020 . 1 . . . . . 59 SER H . 51887 1 193 . 1 . 1 33 33 SER N N 15 116.889 0.3 . 1 . . . . . 59 SER N . 51887 1 194 . 1 . 1 34 34 GLN H H 1 7.611 0.020 . 1 . . . . . 60 GLN H . 51887 1 195 . 1 . 1 34 34 GLN N N 15 116.917 0.3 . 1 . . . . . 60 GLN N . 51887 1 196 . 1 . 1 35 35 PHE H H 1 8.403 0.020 . 1 . . . . . 61 PHE H . 51887 1 197 . 1 . 1 35 35 PHE N N 15 120.615 0.3 . 1 . . . . . 61 PHE N . 51887 1 198 . 1 . 1 36 36 VAL H H 1 8.158 0.020 . 1 . . . . . 62 VAL H . 51887 1 199 . 1 . 1 36 36 VAL HG11 H 1 0.844 0.020 . 2 . . . . . 62 VAL HG1 . 51887 1 200 . 1 . 1 36 36 VAL HG12 H 1 0.844 0.020 . 2 . . . . . 62 VAL HG1 . 51887 1 201 . 1 . 1 36 36 VAL HG13 H 1 0.844 0.020 . 2 . . . . . 62 VAL HG1 . 51887 1 202 . 1 . 1 36 36 VAL HG21 H 1 0.970 0.020 . 2 . . . . . 62 VAL HG2 . 51887 1 203 . 1 . 1 36 36 VAL HG22 H 1 0.970 0.020 . 2 . . . . . 62 VAL HG2 . 51887 1 204 . 1 . 1 36 36 VAL HG23 H 1 0.970 0.020 . 2 . . . . . 62 VAL HG2 . 51887 1 205 . 1 . 1 36 36 VAL CG1 C 13 20.584 0.3 . 1 . . . . . 62 VAL CG1 . 51887 1 206 . 1 . 1 36 36 VAL CG2 C 13 22.722 0.3 . 1 . . . . . 62 VAL CG2 . 51887 1 207 . 1 . 1 36 36 VAL N N 15 119.967 0.3 . 1 . . . . . 62 VAL N . 51887 1 208 . 1 . 1 37 37 LYS H H 1 7.110 0.020 . 1 . . . . . 63 LYS H . 51887 1 209 . 1 . 1 37 37 LYS N N 15 121.652 0.3 . 1 . . . . . 63 LYS N . 51887 1 210 . 1 . 1 38 38 GLU H H 1 7.508 0.020 . 1 . . . . . 64 GLU H . 51887 1 211 . 1 . 1 38 38 GLU N N 15 123.543 0.3 . 1 . . . . . 64 GLU N . 51887 1 212 . 1 . 1 39 39 ASN H H 1 7.220 0.020 . 1 . . . . . 65 ASN H . 51887 1 213 . 1 . 1 39 39 ASN CA C 13 52.351 0.3 . 1 . . . . . 65 ASN CA . 51887 1 214 . 1 . 1 39 39 ASN N N 15 116.374 0.3 . 1 . . . . . 65 ASN N . 51887 1 215 . 1 . 1 41 41 THR H H 1 7.853 0.020 . 1 . . . . . 67 THR H . 51887 1 216 . 1 . 1 41 41 THR HG21 H 1 1.079 0.020 . 1 . . . . . 67 THR HG2 . 51887 1 217 . 1 . 1 41 41 THR HG22 H 1 1.079 0.020 . 1 . . . . . 67 THR HG2 . 51887 1 218 . 1 . 1 41 41 THR HG23 H 1 1.079 0.020 . 1 . . . . . 67 THR HG2 . 51887 1 219 . 1 . 1 41 41 THR CA C 13 62.644 0.3 . 1 . . . . . 67 THR CA . 51887 1 220 . 1 . 1 41 41 THR CG2 C 13 19.981 0.3 . 1 . . . . . 67 THR CG2 . 51887 1 221 . 1 . 1 41 41 THR N N 15 108.223 0.3 . 1 . . . . . 67 THR N . 51887 1 222 . 1 . 1 42 42 LEU H H 1 6.964 0.020 . 1 . . . . . 68 LEU H . 51887 1 223 . 1 . 1 42 42 LEU HD11 H 1 0.702 0.020 . 2 . . . . . 68 LEU HD1 . 51887 1 224 . 1 . 1 42 42 LEU HD12 H 1 0.702 0.020 . 2 . . . . . 68 LEU HD1 . 51887 1 225 . 1 . 1 42 42 LEU HD13 H 1 0.702 0.020 . 2 . . . . . 68 LEU HD1 . 51887 1 226 . 1 . 1 42 42 LEU HD21 H 1 0.679 0.020 . 2 . . . . . 68 LEU HD2 . 51887 1 227 . 1 . 1 42 42 LEU HD22 H 1 0.679 0.020 . 2 . . . . . 68 LEU HD2 . 51887 1 228 . 1 . 1 42 42 LEU HD23 H 1 0.679 0.020 . 2 . . . . . 68 LEU HD2 . 51887 1 229 . 1 . 1 42 42 LEU CD1 C 13 25.215 0.3 . 1 . . . . . 68 LEU CD1 . 51887 1 230 . 1 . 1 42 42 LEU CD2 C 13 21.841 0.3 . 1 . . . . . 68 LEU CD2 . 51887 1 231 . 1 . 1 42 42 LEU N N 15 122.002 0.3 . 1 . . . . . 68 LEU N . 51887 1 232 . 1 . 1 43 43 ARG H H 1 9.020 0.020 . 1 . . . . . 69 ARG H . 51887 1 233 . 1 . 1 43 43 ARG N N 15 122.863 0.3 . 1 . . . . . 69 ARG N . 51887 1 234 . 1 . 1 46 46 GLU H H 1 7.245 0.020 . 1 . . . . . 72 GLU H . 51887 1 235 . 1 . 1 46 46 GLU N N 15 120.272 0.3 . 1 . . . . . 72 GLU N . 51887 1 236 . 1 . 1 47 47 ILE H H 1 7.399 0.020 . 1 . . . . . 73 ILE H . 51887 1 237 . 1 . 1 47 47 ILE HG21 H 1 0.939 0.020 . 1 . . . . . 73 ILE HG2 . 51887 1 238 . 1 . 1 47 47 ILE HG22 H 1 0.939 0.020 . 1 . . . . . 73 ILE HG2 . 51887 1 239 . 1 . 1 47 47 ILE HG23 H 1 0.939 0.020 . 1 . . . . . 73 ILE HG2 . 51887 1 240 . 1 . 1 47 47 ILE HD11 H 1 0.802 0.020 . 1 . . . . . 73 ILE HD1 . 51887 1 241 . 1 . 1 47 47 ILE HD12 H 1 0.802 0.020 . 1 . . . . . 73 ILE HD1 . 51887 1 242 . 1 . 1 47 47 ILE HD13 H 1 0.802 0.020 . 1 . . . . . 73 ILE HD1 . 51887 1 243 . 1 . 1 47 47 ILE CG2 C 13 16.698 0.3 . 1 . . . . . 73 ILE CG2 . 51887 1 244 . 1 . 1 47 47 ILE CD1 C 13 12.640 0.3 . 1 . . . . . 73 ILE CD1 . 51887 1 245 . 1 . 1 47 47 ILE N N 15 118.761 0.3 . 1 . . . . . 73 ILE N . 51887 1 246 . 1 . 1 48 48 SER H H 1 8.259 0.020 . 1 . . . . . 74 SER H . 51887 1 247 . 1 . 1 48 48 SER N N 15 116.681 0.3 . 1 . . . . . 74 SER N . 51887 1 248 . 1 . 1 49 49 LYS H H 1 7.702 0.020 . 1 . . . . . 75 LYS H . 51887 1 249 . 1 . 1 49 49 LYS N N 15 121.890 0.3 . 1 . . . . . 75 LYS N . 51887 1 250 . 1 . 1 50 50 ILE H H 1 7.410 0.020 . 1 . . . . . 76 ILE H . 51887 1 251 . 1 . 1 50 50 ILE HG21 H 1 0.481 0.020 . 1 . . . . . 76 ILE HG2 . 51887 1 252 . 1 . 1 50 50 ILE HG22 H 1 0.481 0.020 . 1 . . . . . 76 ILE HG2 . 51887 1 253 . 1 . 1 50 50 ILE HG23 H 1 0.481 0.020 . 1 . . . . . 76 ILE HG2 . 51887 1 254 . 1 . 1 50 50 ILE HD11 H 1 0.602 0.020 . 1 . . . . . 76 ILE HD1 . 51887 1 255 . 1 . 1 50 50 ILE HD12 H 1 0.602 0.020 . 1 . . . . . 76 ILE HD1 . 51887 1 256 . 1 . 1 50 50 ILE HD13 H 1 0.602 0.020 . 1 . . . . . 76 ILE HD1 . 51887 1 257 . 1 . 1 50 50 ILE CG2 C 13 16.184 0.3 . 1 . . . . . 76 ILE CG2 . 51887 1 258 . 1 . 1 50 50 ILE CD1 C 13 13.262 0.3 . 1 . . . . . 76 ILE CD1 . 51887 1 259 . 1 . 1 50 50 ILE N N 15 120.360 0.3 . 1 . . . . . 76 ILE N . 51887 1 260 . 1 . 1 51 51 ALA H H 1 8.234 0.020 . 1 . . . . . 77 ALA H . 51887 1 261 . 1 . 1 51 51 ALA HB1 H 1 1.400 0.020 . 1 . . . . . 77 ALA HB . 51887 1 262 . 1 . 1 51 51 ALA HB2 H 1 1.400 0.020 . 1 . . . . . 77 ALA HB . 51887 1 263 . 1 . 1 51 51 ALA HB3 H 1 1.400 0.020 . 1 . . . . . 77 ALA HB . 51887 1 264 . 1 . 1 51 51 ALA C C 13 175.776 0.3 . 1 . . . . . 77 ALA C . 51887 1 265 . 1 . 1 51 51 ALA CB C 13 19.337 0.3 . 1 . . . . . 77 ALA CB . 51887 1 266 . 1 . 1 51 51 ALA N N 15 123.464 0.3 . 1 . . . . . 77 ALA N . 51887 1 267 . 1 . 1 52 52 GLY H H 1 8.118 0.020 . 1 . . . . . 78 GLY H . 51887 1 268 . 1 . 1 52 52 GLY CA C 13 46.447 0.3 . 1 . . . . . 78 GLY CA . 51887 1 269 . 1 . 1 52 52 GLY N N 15 106.195 0.3 . 1 . . . . . 78 GLY N . 51887 1 270 . 1 . 1 53 53 GLU H H 1 8.121 0.020 . 1 . . . . . 79 GLU H . 51887 1 271 . 1 . 1 53 53 GLU CA C 13 57.061 0.3 . 1 . . . . . 79 GLU CA . 51887 1 272 . 1 . 1 53 53 GLU CB C 13 28.815 0.3 . 1 . . . . . 79 GLU CB . 51887 1 273 . 1 . 1 53 53 GLU N N 15 121.024 0.3 . 1 . . . . . 79 GLU N . 51887 1 274 . 1 . 1 54 54 LYS H H 1 7.890 0.020 . 1 . . . . . 80 LYS H . 51887 1 275 . 1 . 1 54 54 LYS N N 15 121.664 0.3 . 1 . . . . . 80 LYS N . 51887 1 276 . 1 . 1 55 55 TRP H H 1 7.829 0.020 . 1 . . . . . 81 TRP H . 51887 1 277 . 1 . 1 55 55 TRP N N 15 122.366 0.3 . 1 . . . . . 81 TRP N . 51887 1 278 . 1 . 1 56 56 GLN H H 1 8.195 0.020 . 1 . . . . . 82 GLN H . 51887 1 279 . 1 . 1 56 56 GLN N N 15 119.074 0.3 . 1 . . . . . 82 GLN N . 51887 1 280 . 1 . 1 57 57 ASN H H 1 7.609 0.020 . 1 . . . . . 83 ASN H . 51887 1 281 . 1 . 1 57 57 ASN N N 15 118.443 0.3 . 1 . . . . . 83 ASN N . 51887 1 282 . 1 . 1 58 58 LEU H H 1 6.640 0.020 . 1 . . . . . 84 LEU H . 51887 1 283 . 1 . 1 58 58 LEU HD11 H 1 0.586 0.020 . 2 . . . . . 84 LEU HD1 . 51887 1 284 . 1 . 1 58 58 LEU HD12 H 1 0.586 0.020 . 2 . . . . . 84 LEU HD1 . 51887 1 285 . 1 . 1 58 58 LEU HD13 H 1 0.586 0.020 . 2 . . . . . 84 LEU HD1 . 51887 1 286 . 1 . 1 58 58 LEU HD21 H 1 0.677 0.020 . 2 . . . . . 84 LEU HD2 . 51887 1 287 . 1 . 1 58 58 LEU HD22 H 1 0.677 0.020 . 2 . . . . . 84 LEU HD2 . 51887 1 288 . 1 . 1 58 58 LEU HD23 H 1 0.677 0.020 . 2 . . . . . 84 LEU HD2 . 51887 1 289 . 1 . 1 58 58 LEU CD1 C 13 22.590 0.3 . 1 . . . . . 84 LEU CD1 . 51887 1 290 . 1 . 1 58 58 LEU CD2 C 13 24.630 0.3 . 1 . . . . . 84 LEU CD2 . 51887 1 291 . 1 . 1 58 58 LEU N N 15 124.560 0.3 . 1 . . . . . 84 LEU N . 51887 1 292 . 1 . 1 59 59 GLU H H 1 8.594 0.020 . 1 . . . . . 85 GLU H . 51887 1 293 . 1 . 1 59 59 GLU N N 15 124.738 0.3 . 1 . . . . . 85 GLU N . 51887 1 294 . 1 . 1 60 60 ALA H H 1 8.501 0.020 . 1 . . . . . 86 ALA H . 51887 1 295 . 1 . 1 60 60 ALA HB1 H 1 1.341 0.020 . 1 . . . . . 86 ALA HB . 51887 1 296 . 1 . 1 60 60 ALA HB2 H 1 1.341 0.020 . 1 . . . . . 86 ALA HB . 51887 1 297 . 1 . 1 60 60 ALA HB3 H 1 1.341 0.020 . 1 . . . . . 86 ALA HB . 51887 1 298 . 1 . 1 60 60 ALA CB C 13 18.330 0.3 . 1 . . . . . 86 ALA CB . 51887 1 299 . 1 . 1 60 60 ALA N N 15 126.566 0.3 . 1 . . . . . 86 ALA N . 51887 1 300 . 1 . 1 61 61 ASP H H 1 8.674 0.020 . 1 . . . . . 87 ASP H . 51887 1 301 . 1 . 1 61 61 ASP N N 15 114.799 0.3 . 1 . . . . . 87 ASP N . 51887 1 302 . 1 . 1 62 62 ILE H H 1 7.120 0.020 . 1 . . . . . 88 ILE H . 51887 1 303 . 1 . 1 62 62 ILE HG21 H 1 0.801 0.020 . 1 . . . . . 88 ILE HG2 . 51887 1 304 . 1 . 1 62 62 ILE HG22 H 1 0.801 0.020 . 1 . . . . . 88 ILE HG2 . 51887 1 305 . 1 . 1 62 62 ILE HG23 H 1 0.801 0.020 . 1 . . . . . 88 ILE HG2 . 51887 1 306 . 1 . 1 62 62 ILE HD11 H 1 0.842 0.020 . 1 . . . . . 88 ILE HD1 . 51887 1 307 . 1 . 1 62 62 ILE HD12 H 1 0.842 0.020 . 1 . . . . . 88 ILE HD1 . 51887 1 308 . 1 . 1 62 62 ILE HD13 H 1 0.842 0.020 . 1 . . . . . 88 ILE HD1 . 51887 1 309 . 1 . 1 62 62 ILE CG2 C 13 17.014 0.3 . 1 . . . . . 88 ILE CG2 . 51887 1 310 . 1 . 1 62 62 ILE CD1 C 13 11.321 0.3 . 1 . . . . . 88 ILE CD1 . 51887 1 311 . 1 . 1 62 62 ILE N N 15 120.818 0.3 . 1 . . . . . 88 ILE N . 51887 1 312 . 1 . 1 63 63 LYS H H 1 7.788 0.020 . 1 . . . . . 89 LYS H . 51887 1 313 . 1 . 1 63 63 LYS N N 15 120.716 0.3 . 1 . . . . . 89 LYS N . 51887 1 314 . 1 . 1 64 64 GLU H H 1 8.217 0.020 . 1 . . . . . 90 GLU H . 51887 1 315 . 1 . 1 64 64 GLU C C 13 178.816 0.3 . 1 . . . . . 90 GLU C . 51887 1 316 . 1 . 1 64 64 GLU N N 15 115.951 0.3 . 1 . . . . . 90 GLU N . 51887 1 317 . 1 . 1 65 65 LYS H H 1 8.071 0.020 . 1 . . . . . 91 LYS H . 51887 1 318 . 1 . 1 65 65 LYS CA C 13 58.185 0.3 . 1 . . . . . 91 LYS CA . 51887 1 319 . 1 . 1 65 65 LYS N N 15 120.809 0.3 . 1 . . . . . 91 LYS N . 51887 1 320 . 1 . 1 66 66 TYR H H 1 8.039 0.020 . 1 . . . . . 92 TYR H . 51887 1 321 . 1 . 1 66 66 TYR N N 15 120.485 0.3 . 1 . . . . . 92 TYR N . 51887 1 322 . 1 . 1 67 67 ILE H H 1 7.687 0.020 . 1 . . . . . 93 ILE H . 51887 1 323 . 1 . 1 67 67 ILE HG21 H 1 0.770 0.020 . 1 . . . . . 93 ILE HG2 . 51887 1 324 . 1 . 1 67 67 ILE HG22 H 1 0.770 0.020 . 1 . . . . . 93 ILE HG2 . 51887 1 325 . 1 . 1 67 67 ILE HG23 H 1 0.770 0.020 . 1 . . . . . 93 ILE HG2 . 51887 1 326 . 1 . 1 67 67 ILE HD11 H 1 0.672 0.020 . 1 . . . . . 93 ILE HD1 . 51887 1 327 . 1 . 1 67 67 ILE HD12 H 1 0.672 0.020 . 1 . . . . . 93 ILE HD1 . 51887 1 328 . 1 . 1 67 67 ILE HD13 H 1 0.672 0.020 . 1 . . . . . 93 ILE HD1 . 51887 1 329 . 1 . 1 67 67 ILE CG2 C 13 16.641 0.3 . 1 . . . . . 93 ILE CG2 . 51887 1 330 . 1 . 1 67 67 ILE CD1 C 13 9.869 0.3 . 1 . . . . . 93 ILE CD1 . 51887 1 331 . 1 . 1 67 67 ILE N N 15 122.133 0.3 . 1 . . . . . 93 ILE N . 51887 1 332 . 1 . 1 68 68 SER H H 1 8.005 0.020 . 1 . . . . . 94 SER H . 51887 1 333 . 1 . 1 68 68 SER N N 15 114.561 0.3 . 1 . . . . . 94 SER N . 51887 1 334 . 1 . 1 69 69 GLU H H 1 7.382 0.020 . 1 . . . . . 95 GLU H . 51887 1 335 . 1 . 1 69 69 GLU C C 13 175.879 0.3 . 1 . . . . . 95 GLU C . 51887 1 336 . 1 . 1 69 69 GLU CA C 13 55.299 0.3 . 1 . . . . . 95 GLU CA . 51887 1 337 . 1 . 1 69 69 GLU CB C 13 31.896 0.3 . 1 . . . . . 95 GLU CB . 51887 1 338 . 1 . 1 69 69 GLU N N 15 123.908 0.3 . 1 . . . . . 95 GLU N . 51887 1 339 . 1 . 1 70 70 ARG H H 1 8.113 0.020 . 1 . . . . . 96 ARG H . 51887 1 340 . 1 . 1 70 70 ARG CA C 13 54.082 0.3 . 1 . . . . . 96 ARG CA . 51887 1 341 . 1 . 1 70 70 ARG CB C 13 31.013 0.3 . 1 . . . . . 96 ARG CB . 51887 1 342 . 1 . 1 70 70 ARG N N 15 125.269 0.3 . 1 . . . . . 96 ARG N . 51887 1 343 . 1 . 1 72 72 LYS H H 1 8.009 0.020 . 1 . . . . . 98 LYS H . 51887 1 344 . 1 . 1 72 72 LYS N N 15 120.365 0.3 . 1 . . . . . 98 LYS N . 51887 1 345 . 1 . 1 73 73 LEU H H 1 7.140 0.020 . 1 . . . . . 99 LEU H . 51887 1 346 . 1 . 1 73 73 LEU HD11 H 1 0.801 0.020 . 2 . . . . . 99 LEU HD1 . 51887 1 347 . 1 . 1 73 73 LEU HD12 H 1 0.801 0.020 . 2 . . . . . 99 LEU HD1 . 51887 1 348 . 1 . 1 73 73 LEU HD13 H 1 0.801 0.020 . 2 . . . . . 99 LEU HD1 . 51887 1 349 . 1 . 1 73 73 LEU HD21 H 1 0.753 0.020 . 2 . . . . . 99 LEU HD2 . 51887 1 350 . 1 . 1 73 73 LEU HD22 H 1 0.753 0.020 . 2 . . . . . 99 LEU HD2 . 51887 1 351 . 1 . 1 73 73 LEU HD23 H 1 0.753 0.020 . 2 . . . . . 99 LEU HD2 . 51887 1 352 . 1 . 1 73 73 LEU CD1 C 13 24.306 0.3 . 1 . . . . . 99 LEU CD1 . 51887 1 353 . 1 . 1 73 73 LEU CD2 C 13 23.551 0.3 . 1 . . . . . 99 LEU CD2 . 51887 1 354 . 1 . 1 73 73 LEU N N 15 116.903 0.3 . 1 . . . . . 99 LEU N . 51887 1 355 . 1 . 1 74 74 TYR H H 1 8.405 0.020 . 1 . . . . . 100 TYR H . 51887 1 356 . 1 . 1 74 74 TYR N N 15 111.862 0.3 . 1 . . . . . 100 TYR N . 51887 1 357 . 1 . 1 76 76 GLU H H 1 7.926 0.020 . 1 . . . . . 102 GLU H . 51887 1 358 . 1 . 1 76 76 GLU N N 15 124.205 0.3 . 1 . . . . . 102 GLU N . 51887 1 359 . 1 . 1 78 78 GLN C C 13 174.430 0.3 . 1 . . . . . 104 GLN C . 51887 1 360 . 1 . 1 78 78 GLN CA C 13 55.382 0.3 . 1 . . . . . 104 GLN CA . 51887 1 361 . 1 . 1 79 79 LYS H H 1 7.550 0.020 . 1 . . . . . 105 LYS H . 51887 1 362 . 1 . 1 79 79 LYS C C 13 173.906 0.3 . 1 . . . . . 105 LYS C . 51887 1 363 . 1 . 1 79 79 LYS CA C 13 55.637 0.3 . 1 . . . . . 105 LYS CA . 51887 1 364 . 1 . 1 79 79 LYS N N 15 120.404 0.3 . 1 . . . . . 105 LYS N . 51887 1 365 . 1 . 1 80 80 ALA H H 1 7.762 0.020 . 1 . . . . . 106 ALA H . 51887 1 366 . 1 . 1 80 80 ALA HB1 H 1 1.302 0.020 . 1 . . . . . 106 ALA HB . 51887 1 367 . 1 . 1 80 80 ALA HB2 H 1 1.302 0.020 . 1 . . . . . 106 ALA HB . 51887 1 368 . 1 . 1 80 80 ALA HB3 H 1 1.302 0.020 . 1 . . . . . 106 ALA HB . 51887 1 369 . 1 . 1 80 80 ALA CA C 13 53.397 0.3 . 1 . . . . . 106 ALA CA . 51887 1 370 . 1 . 1 80 80 ALA CB C 13 18.365 0.3 . 1 . . . . . 106 ALA CB . 51887 1 371 . 1 . 1 80 80 ALA N N 15 122.717 0.3 . 1 . . . . . 106 ALA N . 51887 1 372 . 1 . 1 81 81 LYS C C 13 179.170 0.3 . 1 . . . . . 107 LYS C . 51887 1 373 . 1 . 1 82 82 LYS H H 1 7.721 0.020 . 1 . . . . . 108 LYS H . 51887 1 374 . 1 . 1 82 82 LYS CA C 13 59.204 0.3 . 1 . . . . . 108 LYS CA . 51887 1 375 . 1 . 1 82 82 LYS N N 15 121.048 0.3 . 1 . . . . . 108 LYS N . 51887 1 376 . 1 . 1 83 83 GLU H H 1 7.632 0.020 . 1 . . . . . 109 GLU H . 51887 1 377 . 1 . 1 83 83 GLU C C 13 179.071 0.3 . 1 . . . . . 109 GLU C . 51887 1 378 . 1 . 1 83 83 GLU CA C 13 58.695 0.3 . 1 . . . . . 109 GLU CA . 51887 1 379 . 1 . 1 83 83 GLU CB C 13 28.732 0.3 . 1 . . . . . 109 GLU CB . 51887 1 380 . 1 . 1 83 83 GLU N N 15 119.229 0.3 . 1 . . . . . 109 GLU N . 51887 1 381 . 1 . 1 84 84 PHE H H 1 7.780 0.020 . 1 . . . . . 110 PHE H . 51887 1 382 . 1 . 1 84 84 PHE C C 13 176.000 0.3 . 1 . . . . . 110 PHE C . 51887 1 383 . 1 . 1 84 84 PHE CA C 13 60.280 0.3 . 1 . . . . . 110 PHE CA . 51887 1 384 . 1 . 1 84 84 PHE CB C 13 37.340 0.3 . 1 . . . . . 110 PHE CB . 51887 1 385 . 1 . 1 84 84 PHE N N 15 120.469 0.3 . 1 . . . . . 110 PHE N . 51887 1 386 . 1 . 1 85 85 ASP H H 1 8.347 0.020 . 1 . . . . . 111 ASP H . 51887 1 387 . 1 . 1 85 85 ASP C C 13 179.653 0.3 . 1 . . . . . 111 ASP C . 51887 1 388 . 1 . 1 85 85 ASP N N 15 119.327 0.3 . 1 . . . . . 111 ASP N . 51887 1 389 . 1 . 1 87 87 LYS H H 1 7.717 0.020 . 1 . . . . . 113 LYS H . 51887 1 390 . 1 . 1 87 87 LYS N N 15 114.917 0.3 . 1 . . . . . 113 LYS N . 51887 1 391 . 1 . 1 88 88 LEU HD11 H 1 0.747 0.020 . 2 . . . . . 114 LEU HD1 . 51887 1 392 . 1 . 1 88 88 LEU HD12 H 1 0.747 0.020 . 2 . . . . . 114 LEU HD1 . 51887 1 393 . 1 . 1 88 88 LEU HD13 H 1 0.747 0.020 . 2 . . . . . 114 LEU HD1 . 51887 1 394 . 1 . 1 88 88 LEU HD21 H 1 0.548 0.020 . 2 . . . . . 114 LEU HD2 . 51887 1 395 . 1 . 1 88 88 LEU HD22 H 1 0.548 0.020 . 2 . . . . . 114 LEU HD2 . 51887 1 396 . 1 . 1 88 88 LEU HD23 H 1 0.548 0.020 . 2 . . . . . 114 LEU HD2 . 51887 1 397 . 1 . 1 88 88 LEU CD1 C 13 23.935 0.3 . 1 . . . . . 114 LEU CD1 . 51887 1 398 . 1 . 1 88 88 LEU CD2 C 13 25.763 0.3 . 1 . . . . . 114 LEU CD2 . 51887 1 399 . 1 . 1 91 91 LYS H H 1 8.431 0.020 . 1 . . . . . 117 LYS H . 51887 1 400 . 1 . 1 91 91 LYS N N 15 119.449 0.3 . 1 . . . . . 117 LYS N . 51887 1 401 . 1 . 1 92 92 LYS H H 1 7.336 0.020 . 1 . . . . . 118 LYS H . 51887 1 402 . 1 . 1 92 92 LYS N N 15 118.985 0.3 . 1 . . . . . 118 LYS N . 51887 1 403 . 1 . 1 93 93 PRO C C 13 175.385 0.3 . 1 . . . . . 119 PRO C . 51887 1 404 . 1 . 1 93 93 PRO CA C 13 62.149 0.3 . 1 . . . . . 119 PRO CA . 51887 1 405 . 1 . 1 93 93 PRO CB C 13 30.559 0.3 . 1 . . . . . 119 PRO CB . 51887 1 406 . 1 . 1 94 94 ALA H H 1 8.111 0.020 . 1 . . . . . 120 ALA H . 51887 1 407 . 1 . 1 94 94 ALA HA H 1 4.000 0.020 . 1 . . . . . 120 ALA HA . 51887 1 408 . 1 . 1 94 94 ALA HB1 H 1 1.204 0.020 . 1 . . . . . 120 ALA HB . 51887 1 409 . 1 . 1 94 94 ALA HB2 H 1 1.204 0.020 . 1 . . . . . 120 ALA HB . 51887 1 410 . 1 . 1 94 94 ALA HB3 H 1 1.204 0.020 . 1 . . . . . 120 ALA HB . 51887 1 411 . 1 . 1 94 94 ALA C C 13 176.535 0.3 . 1 . . . . . 120 ALA C . 51887 1 412 . 1 . 1 94 94 ALA CA C 13 51.189 0.3 . 1 . . . . . 120 ALA CA . 51887 1 413 . 1 . 1 94 94 ALA CB C 13 19.356 0.3 . 1 . . . . . 120 ALA CB . 51887 1 414 . 1 . 1 94 94 ALA N N 15 126.172 0.3 . 1 . . . . . 120 ALA N . 51887 1 415 . 1 . 1 95 95 GLY H H 1 7.650 0.020 . 1 . . . . . 121 GLY H . 51887 1 416 . 1 . 1 95 95 GLY HA2 H 1 4.000 0.020 . 1 . . . . . 121 GLY HA2 . 51887 1 417 . 1 . 1 95 95 GLY C C 13 171.086 0.3 . 1 . . . . . 121 GLY C . 51887 1 418 . 1 . 1 95 95 GLY CA C 13 43.793 0.3 . 1 . . . . . 121 GLY CA . 51887 1 419 . 1 . 1 95 95 GLY N N 15 104.753 0.3 . 1 . . . . . 121 GLY N . 51887 1 420 . 1 . 1 96 96 PRO C C 13 176.309 0.3 . 1 . . . . . 122 PRO C . 51887 1 421 . 1 . 1 96 96 PRO CA C 13 64.811 0.3 . 1 . . . . . 122 PRO CA . 51887 1 422 . 1 . 1 96 96 PRO CB C 13 31.073 0.3 . 1 . . . . . 122 PRO CB . 51887 1 423 . 1 . 1 97 97 PHE H H 1 7.332 0.020 . 1 . . . . . 123 PHE H . 51887 1 424 . 1 . 1 97 97 PHE C C 13 175.510 0.3 . 1 . . . . . 123 PHE C . 51887 1 425 . 1 . 1 97 97 PHE CA C 13 58.638 0.3 . 1 . . . . . 123 PHE CA . 51887 1 426 . 1 . 1 97 97 PHE CB C 13 37.076 0.3 . 1 . . . . . 123 PHE CB . 51887 1 427 . 1 . 1 97 97 PHE N N 15 115.377 0.3 . 1 . . . . . 123 PHE N . 51887 1 428 . 1 . 1 98 98 ILE H H 1 6.655 0.020 . 1 . . . . . 124 ILE H . 51887 1 429 . 1 . 1 98 98 ILE HG21 H 1 0.638 0.020 . 1 . . . . . 124 ILE HG2 . 51887 1 430 . 1 . 1 98 98 ILE HG22 H 1 0.638 0.020 . 1 . . . . . 124 ILE HG2 . 51887 1 431 . 1 . 1 98 98 ILE HG23 H 1 0.638 0.020 . 1 . . . . . 124 ILE HG2 . 51887 1 432 . 1 . 1 98 98 ILE HD11 H 1 0.559 0.020 . 1 . . . . . 124 ILE HD1 . 51887 1 433 . 1 . 1 98 98 ILE HD12 H 1 0.559 0.020 . 1 . . . . . 124 ILE HD1 . 51887 1 434 . 1 . 1 98 98 ILE HD13 H 1 0.559 0.020 . 1 . . . . . 124 ILE HD1 . 51887 1 435 . 1 . 1 98 98 ILE C C 13 177.661 0.3 . 1 . . . . . 124 ILE C . 51887 1 436 . 1 . 1 98 98 ILE CA C 13 61.462 0.3 . 1 . . . . . 124 ILE CA . 51887 1 437 . 1 . 1 98 98 ILE CB C 13 34.742 0.3 . 1 . . . . . 124 ILE CB . 51887 1 438 . 1 . 1 98 98 ILE CG2 C 13 17.121 0.3 . 1 . . . . . 124 ILE CG2 . 51887 1 439 . 1 . 1 98 98 ILE CD1 C 13 9.959 0.3 . 1 . . . . . 124 ILE CD1 . 51887 1 440 . 1 . 1 98 98 ILE N N 15 119.278 0.3 . 1 . . . . . 124 ILE N . 51887 1 441 . 1 . 1 99 99 LYS H H 1 7.782 0.020 . 1 . . . . . 125 LYS H . 51887 1 442 . 1 . 1 99 99 LYS C C 13 179.261 0.3 . 1 . . . . . 125 LYS C . 51887 1 443 . 1 . 1 99 99 LYS CA C 13 58.461 0.3 . 1 . . . . . 125 LYS CA . 51887 1 444 . 1 . 1 99 99 LYS CB C 13 30.698 0.3 . 1 . . . . . 125 LYS CB . 51887 1 445 . 1 . 1 99 99 LYS N N 15 120.786 0.3 . 1 . . . . . 125 LYS N . 51887 1 446 . 1 . 1 100 100 TYR H H 1 7.346 0.020 . 1 . . . . . 126 TYR H . 51887 1 447 . 1 . 1 100 100 TYR C C 13 176.372 0.3 . 1 . . . . . 126 TYR C . 51887 1 448 . 1 . 1 100 100 TYR CA C 13 60.749 0.3 . 1 . . . . . 126 TYR CA . 51887 1 449 . 1 . 1 100 100 TYR CB C 13 37.384 0.3 . 1 . . . . . 126 TYR CB . 51887 1 450 . 1 . 1 100 100 TYR N N 15 121.126 0.3 . 1 . . . . . 126 TYR N . 51887 1 451 . 1 . 1 101 101 ALA H H 1 8.446 0.020 . 1 . . . . . 127 ALA H . 51887 1 452 . 1 . 1 101 101 ALA HB1 H 1 1.327 0.020 . 1 . . . . . 127 ALA HB . 51887 1 453 . 1 . 1 101 101 ALA HB2 H 1 1.327 0.020 . 1 . . . . . 127 ALA HB . 51887 1 454 . 1 . 1 101 101 ALA HB3 H 1 1.327 0.020 . 1 . . . . . 127 ALA HB . 51887 1 455 . 1 . 1 101 101 ALA C C 13 179.203 0.3 . 1 . . . . . 127 ALA C . 51887 1 456 . 1 . 1 101 101 ALA CA C 13 53.679 0.3 . 1 . . . . . 127 ALA CA . 51887 1 457 . 1 . 1 101 101 ALA CB C 13 18.086 0.3 . 1 . . . . . 127 ALA CB . 51887 1 458 . 1 . 1 101 101 ALA N N 15 121.352 0.3 . 1 . . . . . 127 ALA N . 51887 1 459 . 1 . 1 102 102 ASN H H 1 7.922 0.020 . 1 . . . . . 128 ASN H . 51887 1 460 . 1 . 1 102 102 ASN C C 13 177.722 0.3 . 1 . . . . . 128 ASN C . 51887 1 461 . 1 . 1 102 102 ASN CA C 13 54.522 0.3 . 1 . . . . . 128 ASN CA . 51887 1 462 . 1 . 1 102 102 ASN CB C 13 37.216 0.3 . 1 . . . . . 128 ASN CB . 51887 1 463 . 1 . 1 102 102 ASN N N 15 113.967 0.3 . 1 . . . . . 128 ASN N . 51887 1 464 . 1 . 1 103 103 GLU H H 1 7.626 0.020 . 1 . . . . . 129 GLU H . 51887 1 465 . 1 . 1 103 103 GLU C C 13 179.109 0.3 . 1 . . . . . 129 GLU C . 51887 1 466 . 1 . 1 103 103 GLU CA C 13 58.236 0.3 . 1 . . . . . 129 GLU CA . 51887 1 467 . 1 . 1 103 103 GLU CB C 13 28.654 0.3 . 1 . . . . . 129 GLU CB . 51887 1 468 . 1 . 1 103 103 GLU N N 15 121.786 0.3 . 1 . . . . . 129 GLU N . 51887 1 469 . 1 . 1 104 104 VAL H H 1 7.473 0.020 . 1 . . . . . 130 VAL H . 51887 1 470 . 1 . 1 104 104 VAL HG11 H 1 0.967 0.020 . 2 . . . . . 130 VAL HG1 . 51887 1 471 . 1 . 1 104 104 VAL HG12 H 1 0.967 0.020 . 2 . . . . . 130 VAL HG1 . 51887 1 472 . 1 . 1 104 104 VAL HG13 H 1 0.967 0.020 . 2 . . . . . 130 VAL HG1 . 51887 1 473 . 1 . 1 104 104 VAL HG21 H 1 0.950 0.020 . 2 . . . . . 130 VAL HG2 . 51887 1 474 . 1 . 1 104 104 VAL HG22 H 1 0.950 0.020 . 2 . . . . . 130 VAL HG2 . 51887 1 475 . 1 . 1 104 104 VAL HG23 H 1 0.950 0.020 . 2 . . . . . 130 VAL HG2 . 51887 1 476 . 1 . 1 104 104 VAL C C 13 177.103 0.3 . 1 . . . . . 130 VAL C . 51887 1 477 . 1 . 1 104 104 VAL CA C 13 61.109 0.3 . 1 . . . . . 130 VAL CA . 51887 1 478 . 1 . 1 104 104 VAL CB C 13 31.441 0.3 . 1 . . . . . 130 VAL CB . 51887 1 479 . 1 . 1 104 104 VAL CG1 C 13 21.959 0.3 . 1 . . . . . 130 VAL CG1 . 51887 1 480 . 1 . 1 104 104 VAL CG2 C 13 22.348 0.3 . 1 . . . . . 130 VAL CG2 . 51887 1 481 . 1 . 1 104 104 VAL N N 15 110.488 0.3 . 1 . . . . . 130 VAL N . 51887 1 482 . 1 . 1 105 105 ARG H H 1 7.639 0.020 . 1 . . . . . 131 ARG H . 51887 1 483 . 1 . 1 105 105 ARG C C 13 177.253 0.3 . 1 . . . . . 131 ARG C . 51887 1 484 . 1 . 1 105 105 ARG CA C 13 60.261 0.3 . 1 . . . . . 131 ARG CA . 51887 1 485 . 1 . 1 105 105 ARG CB C 13 28.044 0.3 . 1 . . . . . 131 ARG CB . 51887 1 486 . 1 . 1 105 105 ARG N N 15 123.028 0.3 . 1 . . . . . 131 ARG N . 51887 1 487 . 1 . 1 106 106 SER H H 1 8.609 0.020 . 1 . . . . . 132 SER H . 51887 1 488 . 1 . 1 106 106 SER C C 13 177.210 0.3 . 1 . . . . . 132 SER C . 51887 1 489 . 1 . 1 106 106 SER CA C 13 61.473 0.3 . 1 . . . . . 132 SER CA . 51887 1 490 . 1 . 1 106 106 SER CB C 13 64.767 0.3 . 1 . . . . . 132 SER CB . 51887 1 491 . 1 . 1 106 106 SER N N 15 113.202 0.3 . 1 . . . . . 132 SER N . 51887 1 492 . 1 . 1 107 107 GLN H H 1 7.758 0.020 . 1 . . . . . 133 GLN H . 51887 1 493 . 1 . 1 107 107 GLN C C 13 178.078 0.3 . 1 . . . . . 133 GLN C . 51887 1 494 . 1 . 1 107 107 GLN CA C 13 57.935 0.3 . 1 . . . . . 133 GLN CA . 51887 1 495 . 1 . 1 107 107 GLN CB C 13 27.524 0.3 . 1 . . . . . 133 GLN CB . 51887 1 496 . 1 . 1 107 107 GLN N N 15 123.635 0.3 . 1 . . . . . 133 GLN N . 51887 1 497 . 1 . 1 108 108 VAL H H 1 7.954 0.020 . 1 . . . . . 134 VAL H . 51887 1 498 . 1 . 1 108 108 VAL HG11 H 1 0.479 0.020 . 2 . . . . . 134 VAL HG1 . 51887 1 499 . 1 . 1 108 108 VAL HG12 H 1 0.479 0.020 . 2 . . . . . 134 VAL HG1 . 51887 1 500 . 1 . 1 108 108 VAL HG13 H 1 0.479 0.020 . 2 . . . . . 134 VAL HG1 . 51887 1 501 . 1 . 1 108 108 VAL HG21 H 1 0.382 0.020 . 2 . . . . . 134 VAL HG2 . 51887 1 502 . 1 . 1 108 108 VAL HG22 H 1 0.382 0.020 . 2 . . . . . 134 VAL HG2 . 51887 1 503 . 1 . 1 108 108 VAL HG23 H 1 0.382 0.020 . 2 . . . . . 134 VAL HG2 . 51887 1 504 . 1 . 1 108 108 VAL C C 13 178.525 0.3 . 1 . . . . . 134 VAL C . 51887 1 505 . 1 . 1 108 108 VAL CA C 13 65.588 0.3 . 1 . . . . . 134 VAL CA . 51887 1 506 . 1 . 1 108 108 VAL CB C 13 30.594 0.3 . 1 . . . . . 134 VAL CB . 51887 1 507 . 1 . 1 108 108 VAL CG1 C 13 20.048 0.3 . 1 . . . . . 134 VAL CG1 . 51887 1 508 . 1 . 1 108 108 VAL CG2 C 13 18.343 0.3 . 1 . . . . . 134 VAL CG2 . 51887 1 509 . 1 . 1 108 108 VAL N N 15 120.996 0.3 . 1 . . . . . 134 VAL N . 51887 1 510 . 1 . 1 109 109 PHE H H 1 8.885 0.020 . 1 . . . . . 135 PHE H . 51887 1 511 . 1 . 1 109 109 PHE C C 13 177.272 0.3 . 1 . . . . . 135 PHE C . 51887 1 512 . 1 . 1 109 109 PHE CA C 13 59.136 0.3 . 1 . . . . . 135 PHE CA . 51887 1 513 . 1 . 1 109 109 PHE CB C 13 37.459 0.3 . 1 . . . . . 135 PHE CB . 51887 1 514 . 1 . 1 109 109 PHE N N 15 120.855 0.3 . 1 . . . . . 135 PHE N . 51887 1 515 . 1 . 1 110 110 ALA H H 1 7.375 0.020 . 1 . . . . . 136 ALA H . 51887 1 516 . 1 . 1 110 110 ALA HB1 H 1 0.634 0.020 . 1 . . . . . 136 ALA HB . 51887 1 517 . 1 . 1 110 110 ALA HB2 H 1 0.634 0.020 . 1 . . . . . 136 ALA HB . 51887 1 518 . 1 . 1 110 110 ALA HB3 H 1 0.634 0.020 . 1 . . . . . 136 ALA HB . 51887 1 519 . 1 . 1 110 110 ALA C C 13 179.653 0.3 . 1 . . . . . 136 ALA C . 51887 1 520 . 1 . 1 110 110 ALA CA C 13 53.752 0.3 . 1 . . . . . 136 ALA CA . 51887 1 521 . 1 . 1 110 110 ALA CB C 13 17.265 0.3 . 1 . . . . . 136 ALA CB . 51887 1 522 . 1 . 1 110 110 ALA N N 15 118.831 0.3 . 1 . . . . . 136 ALA N . 51887 1 523 . 1 . 1 111 111 GLN H H 1 7.128 0.020 . 1 . . . . . 137 GLN H . 51887 1 524 . 1 . 1 111 111 GLN C C 13 175.416 0.3 . 1 . . . . . 137 GLN C . 51887 1 525 . 1 . 1 111 111 GLN CA C 13 55.835 0.3 . 1 . . . . . 137 GLN CA . 51887 1 526 . 1 . 1 111 111 GLN CB C 13 28.402 0.3 . 1 . . . . . 137 GLN CB . 51887 1 527 . 1 . 1 111 111 GLN N N 15 114.367 0.3 . 1 . . . . . 137 GLN N . 51887 1 528 . 1 . 1 112 112 HIS H H 1 7.309 0.020 . 1 . . . . . 138 HIS H . 51887 1 529 . 1 . 1 112 112 HIS C C 13 171.929 0.3 . 1 . . . . . 138 HIS C . 51887 1 530 . 1 . 1 112 112 HIS CA C 13 52.796 0.3 . 1 . . . . . 138 HIS CA . 51887 1 531 . 1 . 1 112 112 HIS CB C 13 29.178 0.3 . 1 . . . . . 138 HIS CB . 51887 1 532 . 1 . 1 112 112 HIS N N 15 117.266 0.3 . 1 . . . . . 138 HIS N . 51887 1 533 . 1 . 1 113 113 PRO C C 13 176.691 0.3 . 1 . . . . . 139 PRO C . 51887 1 534 . 1 . 1 113 113 PRO CA C 13 63.862 0.3 . 1 . . . . . 139 PRO CA . 51887 1 535 . 1 . 1 113 113 PRO CB C 13 32.841 0.3 . 1 . . . . . 139 PRO CB . 51887 1 536 . 1 . 1 114 114 ASP H H 1 8.510 0.020 . 1 . . . . . 140 ASP H . 51887 1 537 . 1 . 1 114 114 ASP C C 13 176.129 0.3 . 1 . . . . . 140 ASP C . 51887 1 538 . 1 . 1 114 114 ASP CA C 13 52.796 0.3 . 1 . . . . . 140 ASP CA . 51887 1 539 . 1 . 1 114 114 ASP CB C 13 39.678 0.3 . 1 . . . . . 140 ASP CB . 51887 1 540 . 1 . 1 114 114 ASP N N 15 117.174 0.3 . 1 . . . . . 140 ASP N . 51887 1 541 . 1 . 1 115 115 LYS H H 1 7.125 0.020 . 1 . . . . . 141 LYS H . 51887 1 542 . 1 . 1 115 115 LYS C C 13 176.371 0.3 . 1 . . . . . 141 LYS C . 51887 1 543 . 1 . 1 115 115 LYS CA C 13 54.306 0.3 . 1 . . . . . 141 LYS CA . 51887 1 544 . 1 . 1 115 115 LYS CB C 13 32.720 0.3 . 1 . . . . . 141 LYS CB . 51887 1 545 . 1 . 1 115 115 LYS N N 15 120.103 0.3 . 1 . . . . . 141 LYS N . 51887 1 546 . 1 . 1 116 116 SER H H 1 8.877 0.020 . 1 . . . . . 142 SER H . 51887 1 547 . 1 . 1 116 116 SER C C 13 174.407 0.3 . 1 . . . . . 142 SER C . 51887 1 548 . 1 . 1 116 116 SER CA C 13 56.532 0.3 . 1 . . . . . 142 SER CA . 51887 1 549 . 1 . 1 116 116 SER CB C 13 64.162 0.3 . 1 . . . . . 142 SER CB . 51887 1 550 . 1 . 1 116 116 SER N N 15 117.954 0.3 . 1 . . . . . 142 SER N . 51887 1 551 . 1 . 1 117 117 GLN H H 1 8.588 0.020 . 1 . . . . . 143 GLN H . 51887 1 552 . 1 . 1 117 117 GLN C C 13 178.487 0.3 . 1 . . . . . 143 GLN C . 51887 1 553 . 1 . 1 117 117 GLN CA C 13 58.686 0.3 . 1 . . . . . 143 GLN CA . 51887 1 554 . 1 . 1 117 117 GLN CB C 13 26.996 0.3 . 1 . . . . . 143 GLN CB . 51887 1 555 . 1 . 1 117 117 GLN N N 15 120.697 0.3 . 1 . . . . . 143 GLN N . 51887 1 556 . 1 . 1 118 118 LEU H H 1 7.898 0.020 . 1 . . . . . 144 LEU H . 51887 1 557 . 1 . 1 118 118 LEU HD11 H 1 0.630 0.020 . 2 . . . . . 144 LEU HD1 . 51887 1 558 . 1 . 1 118 118 LEU HD12 H 1 0.630 0.020 . 2 . . . . . 144 LEU HD1 . 51887 1 559 . 1 . 1 118 118 LEU HD13 H 1 0.630 0.020 . 2 . . . . . 144 LEU HD1 . 51887 1 560 . 1 . 1 118 118 LEU HD21 H 1 0.765 0.020 . 2 . . . . . 144 LEU HD2 . 51887 1 561 . 1 . 1 118 118 LEU HD22 H 1 0.765 0.020 . 2 . . . . . 144 LEU HD2 . 51887 1 562 . 1 . 1 118 118 LEU HD23 H 1 0.765 0.020 . 2 . . . . . 144 LEU HD2 . 51887 1 563 . 1 . 1 118 118 LEU C C 13 179.616 0.3 . 1 . . . . . 144 LEU C . 51887 1 564 . 1 . 1 118 118 LEU CA C 13 57.298 0.3 . 1 . . . . . 144 LEU CA . 51887 1 565 . 1 . 1 118 118 LEU CB C 13 40.630 0.3 . 1 . . . . . 144 LEU CB . 51887 1 566 . 1 . 1 118 118 LEU CD1 C 13 24.708 0.3 . 1 . . . . . 144 LEU CD1 . 51887 1 567 . 1 . 1 118 118 LEU CD2 C 13 24.004 0.3 . 1 . . . . . 144 LEU CD2 . 51887 1 568 . 1 . 1 118 118 LEU N N 15 119.404 0.3 . 1 . . . . . 144 LEU N . 51887 1 569 . 1 . 1 119 119 ASP H H 1 7.556 0.020 . 1 . . . . . 145 ASP H . 51887 1 570 . 1 . 1 119 119 ASP C C 13 179.512 0.3 . 1 . . . . . 145 ASP C . 51887 1 571 . 1 . 1 119 119 ASP CA C 13 56.401 0.3 . 1 . . . . . 145 ASP CA . 51887 1 572 . 1 . 1 119 119 ASP CB C 13 39.401 0.3 . 1 . . . . . 145 ASP CB . 51887 1 573 . 1 . 1 119 119 ASP N N 15 121.253 0.3 . 1 . . . . . 145 ASP N . 51887 1 574 . 1 . 1 120 120 LEU H H 1 8.517 0.020 . 1 . . . . . 146 LEU H . 51887 1 575 . 1 . 1 120 120 LEU HD11 H 1 0.799 0.020 . 2 . . . . . 146 LEU HD1 . 51887 1 576 . 1 . 1 120 120 LEU HD12 H 1 0.799 0.020 . 2 . . . . . 146 LEU HD1 . 51887 1 577 . 1 . 1 120 120 LEU HD13 H 1 0.799 0.020 . 2 . . . . . 146 LEU HD1 . 51887 1 578 . 1 . 1 120 120 LEU HD21 H 1 0.669 0.020 . 2 . . . . . 146 LEU HD2 . 51887 1 579 . 1 . 1 120 120 LEU HD22 H 1 0.669 0.020 . 2 . . . . . 146 LEU HD2 . 51887 1 580 . 1 . 1 120 120 LEU HD23 H 1 0.669 0.020 . 2 . . . . . 146 LEU HD2 . 51887 1 581 . 1 . 1 120 120 LEU C C 13 178.887 0.3 . 1 . . . . . 146 LEU C . 51887 1 582 . 1 . 1 120 120 LEU CA C 13 57.250 0.3 . 1 . . . . . 146 LEU CA . 51887 1 583 . 1 . 1 120 120 LEU CB C 13 40.375 0.3 . 1 . . . . . 146 LEU CB . 51887 1 584 . 1 . 1 120 120 LEU CD1 C 13 24.952 0.3 . 1 . . . . . 146 LEU CD1 . 51887 1 585 . 1 . 1 120 120 LEU CD2 C 13 22.909 0.3 . 1 . . . . . 146 LEU CD2 . 51887 1 586 . 1 . 1 120 120 LEU N N 15 122.545 0.3 . 1 . . . . . 146 LEU N . 51887 1 587 . 1 . 1 121 121 MET H H 1 7.821 0.020 . 1 . . . . . 147 MET H . 51887 1 588 . 1 . 1 121 121 MET HE1 H 1 1.864 0.020 . 1 . . . . . 147 MET HE . 51887 1 589 . 1 . 1 121 121 MET HE2 H 1 1.864 0.020 . 1 . . . . . 147 MET HE . 51887 1 590 . 1 . 1 121 121 MET HE3 H 1 1.864 0.020 . 1 . . . . . 147 MET HE . 51887 1 591 . 1 . 1 121 121 MET C C 13 180.007 0.3 . 1 . . . . . 147 MET C . 51887 1 592 . 1 . 1 121 121 MET CA C 13 55.946 0.3 . 1 . . . . . 147 MET CA . 51887 1 593 . 1 . 1 121 121 MET CB C 13 29.001 0.3 . 1 . . . . . 147 MET CB . 51887 1 594 . 1 . 1 121 121 MET CE C 13 15.654 0.3 . 1 . . . . . 147 MET CE . 51887 1 595 . 1 . 1 121 121 MET N N 15 116.322 0.3 . 1 . . . . . 147 MET N . 51887 1 596 . 1 . 1 122 122 LYS H H 1 7.504 0.020 . 1 . . . . . 148 LYS H . 51887 1 597 . 1 . 1 122 122 LYS C C 13 178.656 0.3 . 1 . . . . . 148 LYS C . 51887 1 598 . 1 . 1 122 122 LYS CA C 13 59.098 0.3 . 1 . . . . . 148 LYS CA . 51887 1 599 . 1 . 1 122 122 LYS CB C 13 30.751 0.3 . 1 . . . . . 148 LYS CB . 51887 1 600 . 1 . 1 122 122 LYS N N 15 123.725 0.3 . 1 . . . . . 148 LYS N . 51887 1 601 . 1 . 1 123 123 ILE H H 1 7.367 0.020 . 1 . . . . . 149 ILE H . 51887 1 602 . 1 . 1 123 123 ILE HG21 H 1 0.682 0.020 . 1 . . . . . 149 ILE HG2 . 51887 1 603 . 1 . 1 123 123 ILE HG22 H 1 0.682 0.020 . 1 . . . . . 149 ILE HG2 . 51887 1 604 . 1 . 1 123 123 ILE HG23 H 1 0.682 0.020 . 1 . . . . . 149 ILE HG2 . 51887 1 605 . 1 . 1 123 123 ILE HD11 H 1 0.559 0.020 . 1 . . . . . 149 ILE HD1 . 51887 1 606 . 1 . 1 123 123 ILE HD12 H 1 0.559 0.020 . 1 . . . . . 149 ILE HD1 . 51887 1 607 . 1 . 1 123 123 ILE HD13 H 1 0.559 0.020 . 1 . . . . . 149 ILE HD1 . 51887 1 608 . 1 . 1 123 123 ILE C C 13 179.258 0.3 . 1 . . . . . 149 ILE C . 51887 1 609 . 1 . 1 123 123 ILE CA C 13 64.386 0.3 . 1 . . . . . 149 ILE CA . 51887 1 610 . 1 . 1 123 123 ILE CB C 13 37.100 0.3 . 1 . . . . . 149 ILE CB . 51887 1 611 . 1 . 1 123 123 ILE CG2 C 13 16.904 0.3 . 1 . . . . . 149 ILE CG2 . 51887 1 612 . 1 . 1 123 123 ILE CD1 C 13 11.415 0.3 . 1 . . . . . 149 ILE CD1 . 51887 1 613 . 1 . 1 123 123 ILE N N 15 121.312 0.3 . 1 . . . . . 149 ILE N . 51887 1 614 . 1 . 1 124 124 ILE H H 1 8.316 0.020 . 1 . . . . . 150 ILE H . 51887 1 615 . 1 . 1 124 124 ILE HG21 H 1 1.080 0.020 . 1 . . . . . 150 ILE HG2 . 51887 1 616 . 1 . 1 124 124 ILE HG22 H 1 1.080 0.020 . 1 . . . . . 150 ILE HG2 . 51887 1 617 . 1 . 1 124 124 ILE HG23 H 1 1.080 0.020 . 1 . . . . . 150 ILE HG2 . 51887 1 618 . 1 . 1 124 124 ILE HD11 H 1 0.204 0.020 . 1 . . . . . 150 ILE HD1 . 51887 1 619 . 1 . 1 124 124 ILE HD12 H 1 0.204 0.020 . 1 . . . . . 150 ILE HD1 . 51887 1 620 . 1 . 1 124 124 ILE HD13 H 1 0.204 0.020 . 1 . . . . . 150 ILE HD1 . 51887 1 621 . 1 . 1 124 124 ILE C C 13 178.024 0.3 . 1 . . . . . 150 ILE C . 51887 1 622 . 1 . 1 124 124 ILE CA C 13 65.858 0.3 . 1 . . . . . 150 ILE CA . 51887 1 623 . 1 . 1 124 124 ILE CB C 13 36.844 0.3 . 1 . . . . . 150 ILE CB . 51887 1 624 . 1 . 1 124 124 ILE CG2 C 13 18.135 0.3 . 1 . . . . . 150 ILE CG2 . 51887 1 625 . 1 . 1 124 124 ILE CD1 C 13 12.411 0.3 . 1 . . . . . 150 ILE CD1 . 51887 1 626 . 1 . 1 124 124 ILE N N 15 121.363 0.3 . 1 . . . . . 150 ILE N . 51887 1 627 . 1 . 1 125 125 GLY H H 1 8.511 0.020 . 1 . . . . . 151 GLY H . 51887 1 628 . 1 . 1 125 125 GLY C C 13 176.241 0.3 . 1 . . . . . 151 GLY C . 51887 1 629 . 1 . 1 125 125 GLY CA C 13 47.169 0.3 . 1 . . . . . 151 GLY CA . 51887 1 630 . 1 . 1 125 125 GLY N N 15 109.198 0.3 . 1 . . . . . 151 GLY N . 51887 1 631 . 1 . 1 126 126 ASP H H 1 8.072 0.020 . 1 . . . . . 152 ASP H . 51887 1 632 . 1 . 1 126 126 ASP C C 13 179.116 0.3 . 1 . . . . . 152 ASP C . 51887 1 633 . 1 . 1 126 126 ASP CA C 13 56.660 0.3 . 1 . . . . . 152 ASP CA . 51887 1 634 . 1 . 1 126 126 ASP CB C 13 39.229 0.3 . 1 . . . . . 152 ASP CB . 51887 1 635 . 1 . 1 126 126 ASP N N 15 124.237 0.3 . 1 . . . . . 152 ASP N . 51887 1 636 . 1 . 1 127 127 LYS H H 1 8.158 0.020 . 1 . . . . . 153 LYS H . 51887 1 637 . 1 . 1 127 127 LYS C C 13 179.566 0.3 . 1 . . . . . 153 LYS C . 51887 1 638 . 1 . 1 127 127 LYS CA C 13 58.978 0.3 . 1 . . . . . 153 LYS CA . 51887 1 639 . 1 . 1 127 127 LYS CB C 13 31.205 0.3 . 1 . . . . . 153 LYS CB . 51887 1 640 . 1 . 1 127 127 LYS N N 15 123.145 0.3 . 1 . . . . . 153 LYS N . 51887 1 641 . 1 . 1 128 128 TRP H H 1 8.527 0.020 . 1 . . . . . 154 TRP H . 51887 1 642 . 1 . 1 128 128 TRP HE1 H 1 9.876 0.020 . 1 . . . . . 154 TRP HE1 . 51887 1 643 . 1 . 1 128 128 TRP C C 13 177.984 0.3 . 1 . . . . . 154 TRP C . 51887 1 644 . 1 . 1 128 128 TRP CA C 13 59.106 0.3 . 1 . . . . . 154 TRP CA . 51887 1 645 . 1 . 1 128 128 TRP CB C 13 29.440 0.3 . 1 . . . . . 154 TRP CB . 51887 1 646 . 1 . 1 128 128 TRP N N 15 120.406 0.3 . 1 . . . . . 154 TRP N . 51887 1 647 . 1 . 1 128 128 TRP NE1 N 15 129.171 0.3 . 1 . . . . . 154 TRP NE1 . 51887 1 648 . 1 . 1 129 129 GLN H H 1 7.989 0.020 . 1 . . . . . 155 GLN H . 51887 1 649 . 1 . 1 129 129 GLN C C 13 177.703 0.3 . 1 . . . . . 155 GLN C . 51887 1 650 . 1 . 1 129 129 GLN CA C 13 58.161 0.3 . 1 . . . . . 155 GLN CA . 51887 1 651 . 1 . 1 129 129 GLN CB C 13 27.170 0.3 . 1 . . . . . 155 GLN CB . 51887 1 652 . 1 . 1 129 129 GLN N N 15 116.871 0.3 . 1 . . . . . 155 GLN N . 51887 1 653 . 1 . 1 130 130 SER H H 1 7.265 0.020 . 1 . . . . . 156 SER H . 51887 1 654 . 1 . 1 130 130 SER C C 13 173.502 0.3 . 1 . . . . . 156 SER C . 51887 1 655 . 1 . 1 130 130 SER CA C 13 58.065 0.3 . 1 . . . . . 156 SER CA . 51887 1 656 . 1 . 1 130 130 SER CB C 13 63.171 0.3 . 1 . . . . . 156 SER CB . 51887 1 657 . 1 . 1 130 130 SER N N 15 111.783 0.3 . 1 . . . . . 156 SER N . 51887 1 658 . 1 . 1 131 131 LEU H H 1 6.881 0.020 . 1 . . . . . 157 LEU H . 51887 1 659 . 1 . 1 131 131 LEU HD11 H 1 0.492 0.020 . 2 . . . . . 157 LEU HD1 . 51887 1 660 . 1 . 1 131 131 LEU HD12 H 1 0.492 0.020 . 2 . . . . . 157 LEU HD1 . 51887 1 661 . 1 . 1 131 131 LEU HD13 H 1 0.492 0.020 . 2 . . . . . 157 LEU HD1 . 51887 1 662 . 1 . 1 131 131 LEU HD21 H 1 0.552 0.020 . 2 . . . . . 157 LEU HD2 . 51887 1 663 . 1 . 1 131 131 LEU HD22 H 1 0.552 0.020 . 2 . . . . . 157 LEU HD2 . 51887 1 664 . 1 . 1 131 131 LEU HD23 H 1 0.552 0.020 . 2 . . . . . 157 LEU HD2 . 51887 1 665 . 1 . 1 131 131 LEU C C 13 176.560 0.3 . 1 . . . . . 157 LEU C . 51887 1 666 . 1 . 1 131 131 LEU CA C 13 54.412 0.3 . 1 . . . . . 157 LEU CA . 51887 1 667 . 1 . 1 131 131 LEU CB C 13 42.042 0.3 . 1 . . . . . 157 LEU CB . 51887 1 668 . 1 . 1 131 131 LEU CD1 C 13 24.387 0.3 . 1 . . . . . 157 LEU CD1 . 51887 1 669 . 1 . 1 131 131 LEU CD2 C 13 23.951 0.3 . 1 . . . . . 157 LEU CD2 . 51887 1 670 . 1 . 1 131 131 LEU N N 15 125.363 0.3 . 1 . . . . . 157 LEU N . 51887 1 671 . 1 . 1 132 132 ASP H H 1 8.117 0.020 . 1 . . . . . 158 ASP H . 51887 1 672 . 1 . 1 132 132 ASP C C 13 177.291 0.3 . 1 . . . . . 158 ASP C . 51887 1 673 . 1 . 1 132 132 ASP CA C 13 54.447 0.3 . 1 . . . . . 158 ASP CA . 51887 1 674 . 1 . 1 132 132 ASP CB C 13 41.792 0.3 . 1 . . . . . 158 ASP CB . 51887 1 675 . 1 . 1 132 132 ASP N N 15 123.108 0.3 . 1 . . . . . 158 ASP N . 51887 1 676 . 1 . 1 133 133 GLN H H 1 8.759 0.020 . 1 . . . . . 159 GLN H . 51887 1 677 . 1 . 1 133 133 GLN C C 13 176.522 0.3 . 1 . . . . . 159 GLN C . 51887 1 678 . 1 . 1 133 133 GLN CA C 13 57.935 0.3 . 1 . . . . . 159 GLN CA . 51887 1 679 . 1 . 1 133 133 GLN CB C 13 27.348 0.3 . 1 . . . . . 159 GLN CB . 51887 1 680 . 1 . 1 133 133 GLN N N 15 126.908 0.3 . 1 . . . . . 159 GLN N . 51887 1 681 . 1 . 1 134 134 SER H H 1 8.432 0.020 . 1 . . . . . 160 SER H . 51887 1 682 . 1 . 1 134 134 SER C C 13 176.617 0.3 . 1 . . . . . 160 SER C . 51887 1 683 . 1 . 1 134 134 SER CA C 13 60.749 0.3 . 1 . . . . . 160 SER CA . 51887 1 684 . 1 . 1 134 134 SER CB C 13 61.565 0.3 . 1 . . . . . 160 SER CB . 51887 1 685 . 1 . 1 134 134 SER N N 15 112.840 0.3 . 1 . . . . . 160 SER N . 51887 1 686 . 1 . 1 135 135 ILE H H 1 7.130 0.020 . 1 . . . . . 161 ILE H . 51887 1 687 . 1 . 1 135 135 ILE HG21 H 1 0.845 0.020 . 1 . . . . . 161 ILE HG2 . 51887 1 688 . 1 . 1 135 135 ILE HG22 H 1 0.845 0.020 . 1 . . . . . 161 ILE HG2 . 51887 1 689 . 1 . 1 135 135 ILE HG23 H 1 0.845 0.020 . 1 . . . . . 161 ILE HG2 . 51887 1 690 . 1 . 1 135 135 ILE HD11 H 1 0.715 0.020 . 1 . . . . . 161 ILE HD1 . 51887 1 691 . 1 . 1 135 135 ILE HD12 H 1 0.715 0.020 . 1 . . . . . 161 ILE HD1 . 51887 1 692 . 1 . 1 135 135 ILE HD13 H 1 0.715 0.020 . 1 . . . . . 161 ILE HD1 . 51887 1 693 . 1 . 1 135 135 ILE C C 13 178.247 0.3 . 1 . . . . . 161 ILE C . 51887 1 694 . 1 . 1 135 135 ILE CA C 13 62.962 0.3 . 1 . . . . . 161 ILE CA . 51887 1 695 . 1 . 1 135 135 ILE CB C 13 36.222 0.3 . 1 . . . . . 161 ILE CB . 51887 1 696 . 1 . 1 135 135 ILE CG2 C 13 17.227 0.3 . 1 . . . . . 161 ILE CG2 . 51887 1 697 . 1 . 1 135 135 ILE CD1 C 13 12.981 0.3 . 1 . . . . . 161 ILE CD1 . 51887 1 698 . 1 . 1 135 135 ILE N N 15 123.704 0.3 . 1 . . . . . 161 ILE N . 51887 1 699 . 1 . 1 136 136 LYS H H 1 7.321 0.020 . 1 . . . . . 162 LYS H . 51887 1 700 . 1 . 1 136 136 LYS C C 13 178.809 0.3 . 1 . . . . . 162 LYS C . 51887 1 701 . 1 . 1 136 136 LYS CA C 13 60.336 0.3 . 1 . . . . . 162 LYS CA . 51887 1 702 . 1 . 1 136 136 LYS CB C 13 31.223 0.3 . 1 . . . . . 162 LYS CB . 51887 1 703 . 1 . 1 136 136 LYS N N 15 120.481 0.3 . 1 . . . . . 162 LYS N . 51887 1 704 . 1 . 1 137 137 ASP H H 1 8.727 0.020 . 1 . . . . . 163 ASP H . 51887 1 705 . 1 . 1 137 137 ASP C C 13 178.285 0.3 . 1 . . . . . 163 ASP C . 51887 1 706 . 1 . 1 137 137 ASP CA C 13 56.735 0.3 . 1 . . . . . 163 ASP CA . 51887 1 707 . 1 . 1 137 137 ASP CB C 13 39.678 0.3 . 1 . . . . . 163 ASP CB . 51887 1 708 . 1 . 1 137 137 ASP N N 15 116.199 0.3 . 1 . . . . . 163 ASP N . 51887 1 709 . 1 . 1 138 138 LYS H H 1 7.181 0.020 . 1 . . . . . 164 LYS H . 51887 1 710 . 1 . 1 138 138 LYS C C 13 179.316 0.3 . 1 . . . . . 164 LYS C . 51887 1 711 . 1 . 1 138 138 LYS CA C 13 59.098 0.3 . 1 . . . . . 164 LYS CA . 51887 1 712 . 1 . 1 138 138 LYS CB C 13 30.519 0.3 . 1 . . . . . 164 LYS CB . 51887 1 713 . 1 . 1 138 138 LYS N N 15 120.852 0.3 . 1 . . . . . 164 LYS N . 51887 1 714 . 1 . 1 139 139 TYR H H 1 7.444 0.020 . 1 . . . . . 165 TYR H . 51887 1 715 . 1 . 1 139 139 TYR C C 13 179.966 0.3 . 1 . . . . . 165 TYR C . 51887 1 716 . 1 . 1 139 139 TYR CA C 13 61.537 0.3 . 1 . . . . . 165 TYR CA . 51887 1 717 . 1 . 1 139 139 TYR CB C 13 37.621 0.3 . 1 . . . . . 165 TYR CB . 51887 1 718 . 1 . 1 139 139 TYR N N 15 118.406 0.3 . 1 . . . . . 165 TYR N . 51887 1 719 . 1 . 1 140 140 ILE H H 1 8.569 0.020 . 1 . . . . . 166 ILE H . 51887 1 720 . 1 . 1 140 140 ILE HG21 H 1 1.024 0.020 . 1 . . . . . 166 ILE HG2 . 51887 1 721 . 1 . 1 140 140 ILE HG22 H 1 1.024 0.020 . 1 . . . . . 166 ILE HG2 . 51887 1 722 . 1 . 1 140 140 ILE HG23 H 1 1.024 0.020 . 1 . . . . . 166 ILE HG2 . 51887 1 723 . 1 . 1 140 140 ILE HD11 H 1 0.933 0.020 . 1 . . . . . 166 ILE HD1 . 51887 1 724 . 1 . 1 140 140 ILE HD12 H 1 0.933 0.020 . 1 . . . . . 166 ILE HD1 . 51887 1 725 . 1 . 1 140 140 ILE HD13 H 1 0.933 0.020 . 1 . . . . . 166 ILE HD1 . 51887 1 726 . 1 . 1 140 140 ILE C C 13 177.860 0.3 . 1 . . . . . 166 ILE C . 51887 1 727 . 1 . 1 140 140 ILE CA C 13 65.896 0.3 . 1 . . . . . 166 ILE CA . 51887 1 728 . 1 . 1 140 140 ILE CB C 13 37.536 0.3 . 1 . . . . . 166 ILE CB . 51887 1 729 . 1 . 1 140 140 ILE CG2 C 13 16.990 0.3 . 1 . . . . . 166 ILE CG2 . 51887 1 730 . 1 . 1 140 140 ILE CD1 C 13 13.226 0.3 . 1 . . . . . 166 ILE CD1 . 51887 1 731 . 1 . 1 140 140 ILE N N 15 122.946 0.3 . 1 . . . . . 166 ILE N . 51887 1 732 . 1 . 1 141 141 GLN H H 1 8.649 0.020 . 1 . . . . . 167 GLN H . 51887 1 733 . 1 . 1 141 141 GLN C C 13 179.184 0.3 . 1 . . . . . 167 GLN C . 51887 1 734 . 1 . 1 141 141 GLN CA C 13 58.236 0.3 . 1 . . . . . 167 GLN CA . 51887 1 735 . 1 . 1 141 141 GLN CB C 13 27.160 0.3 . 1 . . . . . 167 GLN CB . 51887 1 736 . 1 . 1 141 141 GLN N N 15 119.760 0.3 . 1 . . . . . 167 GLN N . 51887 1 737 . 1 . 1 144 144 LYS C C 13 179.709 0.3 . 1 . . . . . 170 LYS C . 51887 1 738 . 1 . 1 144 144 LYS CA C 13 59.136 0.3 . 1 . . . . . 170 LYS CA . 51887 1 739 . 1 . 1 144 144 LYS CB C 13 31.311 0.3 . 1 . . . . . 170 LYS CB . 51887 1 740 . 1 . 1 145 145 LYS H H 1 7.614 0.020 . 1 . . . . . 171 LYS H . 51887 1 741 . 1 . 1 145 145 LYS C C 13 178.060 0.3 . 1 . . . . . 171 LYS C . 51887 1 742 . 1 . 1 145 145 LYS CA C 13 58.386 0.3 . 1 . . . . . 171 LYS CA . 51887 1 743 . 1 . 1 145 145 LYS CB C 13 31.311 0.3 . 1 . . . . . 171 LYS CB . 51887 1 744 . 1 . 1 145 145 LYS N N 15 119.094 0.3 . 1 . . . . . 171 LYS N . 51887 1 745 . 1 . 1 146 146 ALA H H 1 7.830 0.020 . 1 . . . . . 172 ALA H . 51887 1 746 . 1 . 1 146 146 ALA HB1 H 1 1.394 0.020 . 1 . . . . . 172 ALA HB . 51887 1 747 . 1 . 1 146 146 ALA HB2 H 1 1.394 0.020 . 1 . . . . . 172 ALA HB . 51887 1 748 . 1 . 1 146 146 ALA HB3 H 1 1.394 0.020 . 1 . . . . . 172 ALA HB . 51887 1 749 . 1 . 1 146 146 ALA C C 13 181.659 0.3 . 1 . . . . . 172 ALA C . 51887 1 750 . 1 . 1 146 146 ALA CA C 13 54.222 0.3 . 1 . . . . . 172 ALA CA . 51887 1 751 . 1 . 1 146 146 ALA CB C 13 17.664 0.3 . 1 . . . . . 172 ALA CB . 51887 1 752 . 1 . 1 146 146 ALA N N 15 122.937 0.3 . 1 . . . . . 172 ALA N . 51887 1 753 . 1 . 1 147 147 ILE H H 1 8.674 0.020 . 1 . . . . . 173 ILE H . 51887 1 754 . 1 . 1 147 147 ILE HG21 H 1 0.699 0.020 . 1 . . . . . 173 ILE HG2 . 51887 1 755 . 1 . 1 147 147 ILE HG22 H 1 0.699 0.020 . 1 . . . . . 173 ILE HG2 . 51887 1 756 . 1 . 1 147 147 ILE HG23 H 1 0.699 0.020 . 1 . . . . . 173 ILE HG2 . 51887 1 757 . 1 . 1 147 147 ILE HD11 H 1 0.841 0.020 . 1 . . . . . 173 ILE HD1 . 51887 1 758 . 1 . 1 147 147 ILE HD12 H 1 0.841 0.020 . 1 . . . . . 173 ILE HD1 . 51887 1 759 . 1 . 1 147 147 ILE HD13 H 1 0.841 0.020 . 1 . . . . . 173 ILE HD1 . 51887 1 760 . 1 . 1 147 147 ILE C C 13 176.985 0.3 . 1 . . . . . 173 ILE C . 51887 1 761 . 1 . 1 147 147 ILE CA C 13 60.561 0.3 . 1 . . . . . 173 ILE CA . 51887 1 762 . 1 . 1 147 147 ILE CB C 13 35.671 0.3 . 1 . . . . . 173 ILE CB . 51887 1 763 . 1 . 1 147 147 ILE CG2 C 13 17.884 0.3 . 1 . . . . . 173 ILE CG2 . 51887 1 764 . 1 . 1 147 147 ILE CD1 C 13 11.827 0.3 . 1 . . . . . 173 ILE CD1 . 51887 1 765 . 1 . 1 147 147 ILE N N 15 121.439 0.3 . 1 . . . . . 173 ILE N . 51887 1 766 . 1 . 1 148 148 GLN H H 1 7.418 0.020 . 1 . . . . . 174 GLN H . 51887 1 767 . 1 . 1 148 148 GLN C C 13 179.259 0.3 . 1 . . . . . 174 GLN C . 51887 1 768 . 1 . 1 148 148 GLN CA C 13 58.423 0.3 . 1 . . . . . 174 GLN CA . 51887 1 769 . 1 . 1 148 148 GLN CB C 13 27.348 0.3 . 1 . . . . . 174 GLN CB . 51887 1 770 . 1 . 1 148 148 GLN N N 15 122.270 0.3 . 1 . . . . . 174 GLN N . 51887 1 771 . 1 . 1 149 149 GLU H H 1 7.763 0.020 . 1 . . . . . 175 GLU H . 51887 1 772 . 1 . 1 149 149 GLU C C 13 178.266 0.3 . 1 . . . . . 175 GLU C . 51887 1 773 . 1 . 1 149 149 GLU CA C 13 58.461 0.3 . 1 . . . . . 175 GLU CA . 51887 1 774 . 1 . 1 149 149 GLU CB C 13 28.486 0.3 . 1 . . . . . 175 GLU CB . 51887 1 775 . 1 . 1 149 149 GLU N N 15 119.709 0.3 . 1 . . . . . 175 GLU N . 51887 1 776 . 1 . 1 150 150 TYR H H 1 8.087 0.020 . 1 . . . . . 176 TYR H . 51887 1 777 . 1 . 1 150 150 TYR C C 13 176.897 0.3 . 1 . . . . . 176 TYR C . 51887 1 778 . 1 . 1 150 150 TYR CA C 13 61.237 0.3 . 1 . . . . . 176 TYR CA . 51887 1 779 . 1 . 1 150 150 TYR CB C 13 37.829 0.3 . 1 . . . . . 176 TYR CB . 51887 1 780 . 1 . 1 150 150 TYR N N 15 122.171 0.3 . 1 . . . . . 176 TYR N . 51887 1 781 . 1 . 1 151 151 ASN H H 1 8.550 0.020 . 1 . . . . . 177 ASN H . 51887 1 782 . 1 . 1 151 151 ASN C C 13 176.900 0.3 . 1 . . . . . 177 ASN C . 51887 1 783 . 1 . 1 151 151 ASN CA C 13 54.184 0.3 . 1 . . . . . 177 ASN CA . 51887 1 784 . 1 . 1 151 151 ASN CB C 13 37.150 0.3 . 1 . . . . . 177 ASN CB . 51887 1 785 . 1 . 1 151 151 ASN N N 15 117.263 0.3 . 1 . . . . . 177 ASN N . 51887 1 786 . 1 . 1 152 152 ALA H H 1 7.343 0.020 . 1 . . . . . 178 ALA H . 51887 1 787 . 1 . 1 152 152 ALA HB1 H 1 1.458 0.020 . 1 . . . . . 178 ALA HB . 51887 1 788 . 1 . 1 152 152 ALA HB2 H 1 1.458 0.020 . 1 . . . . . 178 ALA HB . 51887 1 789 . 1 . 1 152 152 ALA HB3 H 1 1.458 0.020 . 1 . . . . . 178 ALA HB . 51887 1 790 . 1 . 1 152 152 ALA C C 13 178.622 0.3 . 1 . . . . . 178 ALA C . 51887 1 791 . 1 . 1 152 152 ALA CA C 13 53.021 0.3 . 1 . . . . . 178 ALA CA . 51887 1 792 . 1 . 1 152 152 ALA CB C 13 17.969 0.3 . 1 . . . . . 178 ALA CB . 51887 1 793 . 1 . 1 152 152 ALA N N 15 120.516 0.3 . 1 . . . . . 178 ALA N . 51887 1 794 . 1 . 1 153 153 ARG H H 1 7.239 0.020 . 1 . . . . . 179 ARG H . 51887 1 795 . 1 . 1 153 153 ARG C C 13 175.660 0.3 . 1 . . . . . 179 ARG C . 51887 1 796 . 1 . 1 153 153 ARG CA C 13 56.322 0.3 . 1 . . . . . 179 ARG CA . 51887 1 797 . 1 . 1 153 153 ARG CB C 13 29.814 0.3 . 1 . . . . . 179 ARG CB . 51887 1 798 . 1 . 1 153 153 ARG N N 15 117.812 0.3 . 1 . . . . . 179 ARG N . 51887 1 799 . 1 . 1 154 154 TYR H H 1 7.664 0.020 . 1 . . . . . 180 TYR H . 51887 1 800 . 1 . 1 154 154 TYR C C 13 172.511 0.3 . 1 . . . . . 180 TYR C . 51887 1 801 . 1 . 1 154 154 TYR CA C 13 54.259 0.3 . 1 . . . . . 180 TYR CA . 51887 1 802 . 1 . 1 154 154 TYR CB C 13 36.419 0.3 . 1 . . . . . 180 TYR CB . 51887 1 803 . 1 . 1 154 154 TYR N N 15 118.758 0.3 . 1 . . . . . 180 TYR N . 51887 1 804 . 1 . 1 155 155 PRO C C 13 177.175 0.3 . 1 . . . . . 181 PRO C . 51887 1 805 . 1 . 1 155 155 PRO CA C 13 62.800 0.3 . 1 . . . . . 181 PRO CA . 51887 1 806 . 1 . 1 155 155 PRO CB C 13 30.002 0.3 . 1 . . . . . 181 PRO CB . 51887 1 807 . 1 . 1 156 156 LEU H H 1 8.212 0.020 . 1 . . . . . 182 LEU H . 51887 1 808 . 1 . 1 156 156 LEU HD11 H 1 0.849 0.020 . 2 . . . . . 182 LEU HD1 . 51887 1 809 . 1 . 1 156 156 LEU HD12 H 1 0.849 0.020 . 2 . . . . . 182 LEU HD1 . 51887 1 810 . 1 . 1 156 156 LEU HD13 H 1 0.849 0.020 . 2 . . . . . 182 LEU HD1 . 51887 1 811 . 1 . 1 156 156 LEU HD21 H 1 0.798 0.020 . 2 . . . . . 182 LEU HD2 . 51887 1 812 . 1 . 1 156 156 LEU HD22 H 1 0.798 0.020 . 2 . . . . . 182 LEU HD2 . 51887 1 813 . 1 . 1 156 156 LEU HD23 H 1 0.798 0.020 . 2 . . . . . 182 LEU HD2 . 51887 1 814 . 1 . 1 156 156 LEU C C 13 176.368 0.3 . 1 . . . . . 182 LEU C . 51887 1 815 . 1 . 1 156 156 LEU CA C 13 54.636 0.3 . 1 . . . . . 182 LEU CA . 51887 1 816 . 1 . 1 156 156 LEU CB C 13 40.803 0.3 . 1 . . . . . 182 LEU CB . 51887 1 817 . 1 . 1 156 156 LEU CD1 C 13 24.715 0.3 . 1 . . . . . 182 LEU CD1 . 51887 1 818 . 1 . 1 156 156 LEU CD2 C 13 23.115 0.3 . 1 . . . . . 182 LEU CD2 . 51887 1 819 . 1 . 1 156 156 LEU N N 15 122.364 0.3 . 1 . . . . . 182 LEU N . 51887 1 820 . 1 . 1 157 157 ASN H H 1 7.686 0.020 . 1 . . . . . 183 ASN H . 51887 1 821 . 1 . 1 157 157 ASN C C 13 179.255 0.3 . 1 . . . . . 183 ASN C . 51887 1 822 . 1 . 1 157 157 ASN CA C 13 54.108 0.3 . 1 . . . . . 183 ASN CA . 51887 1 823 . 1 . 1 157 157 ASN CB C 13 39.681 0.3 . 1 . . . . . 183 ASN CB . 51887 1 824 . 1 . 1 157 157 ASN N N 15 124.475 0.3 . 1 . . . . . 183 ASN N . 51887 1 stop_ save_