data_27131 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27131 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for 98-243 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-09 _Entry.Accession_date 2017-06-09 _Entry.Last_release_date 2017-06-09 _Entry.Original_release_date 2017-06-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . 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 Norie Sugitani . . . . 27131 2 Markus Voehler . W. . . 27131 3 Michelle Roh . S. . . 27131 4 Agnieszka Topolska-Wo . M. . . 27131 5 Walter Chazin . J. . . 27131 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Departments of Chemistry and Biochemistry, Vanderbilt University' . 27131 2 . 'Center for Structural Biology, Vanderbilt University' . 27131 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27131 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 415 27131 '15N chemical shifts' 137 27131 '1H chemical shifts' 137 27131 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-11-03 2017-06-09 update BMRB 'update entry citation' 27131 1 . . 2017-09-14 2017-06-09 original author 'original release' 27131 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27131 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28860187 _Citation.Full_citation . _Citation.Title ; Analysis of DNA binding by human factor xeroderma pigmentosum complementation group A (XPA) provides insight into its interactions with nucleotide excision repair substrates ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 292 _Citation.Journal_issue 41 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 16847 _Citation.Page_last 16857 _Citation.Year 2017 _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 Norie Sugitani . . . . 27131 1 2 Markus Voehler . W. . . 27131 1 3 Michelle Roh . S. . . 27131 1 4 Agnieszka Topolska-Wo . M. . . 27131 1 5 Walter Chazin . J. . . 27131 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA binding protein' 27131 1 'DNA repair' 27131 1 'Nuclear magnetic resonance (NMR)' 27131 1 'Nucleotide excision repair' 27131 1 'protein-DNA interaction' 27131 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27131 _Assembly.ID 1 _Assembly.Name 'XPA98-239 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 XPA98-239 1 $XPA98-239 A . yes native no no . . . 27131 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XPA98-239 _Entity.Sf_category entity _Entity.Sf_framecode XPA98-239 _Entity.Entry_ID 27131 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name XPA98-239 _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 ; GPGSMEFDYVICEECGKEFM DSYLMNHFDLPTCDNCRDAD DKHKLITKTEAKQEYLLKDC DLEKREPPLKFIVKKNPHHS QWGDMKLYLKLQIVKRSLEV WGSQEALEEAKEVRQENREK MKQKKFDKKVKELRRAVRSS VWKRET ; _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 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 ; Human XPA98-239 including GPGS sequence at the N-terminus from His-tag. Residue numbering for this entry starts at 1 for this first Gly. ; _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 1 GLY . 27131 1 2 2 PRO . 27131 1 3 3 GLY . 27131 1 4 4 SER . 27131 1 5 5 MET . 27131 1 6 6 GLU . 27131 1 7 7 PHE . 27131 1 8 8 ASP . 27131 1 9 9 TYR . 27131 1 10 10 VAL . 27131 1 11 11 ILE . 27131 1 12 12 CYS . 27131 1 13 13 GLU . 27131 1 14 14 GLU . 27131 1 15 15 CYS . 27131 1 16 16 GLY . 27131 1 17 17 LYS . 27131 1 18 18 GLU . 27131 1 19 19 PHE . 27131 1 20 20 MET . 27131 1 21 21 ASP . 27131 1 22 22 SER . 27131 1 23 23 TYR . 27131 1 24 24 LEU . 27131 1 25 25 MET . 27131 1 26 26 ASN . 27131 1 27 27 HIS . 27131 1 28 28 PHE . 27131 1 29 29 ASP . 27131 1 30 30 LEU . 27131 1 31 31 PRO . 27131 1 32 32 THR . 27131 1 33 33 CYS . 27131 1 34 34 ASP . 27131 1 35 35 ASN . 27131 1 36 36 CYS . 27131 1 37 37 ARG . 27131 1 38 38 ASP . 27131 1 39 39 ALA . 27131 1 40 40 ASP . 27131 1 41 41 ASP . 27131 1 42 42 LYS . 27131 1 43 43 HIS . 27131 1 44 44 LYS . 27131 1 45 45 LEU . 27131 1 46 46 ILE . 27131 1 47 47 THR . 27131 1 48 48 LYS . 27131 1 49 49 THR . 27131 1 50 50 GLU . 27131 1 51 51 ALA . 27131 1 52 52 LYS . 27131 1 53 53 GLN . 27131 1 54 54 GLU . 27131 1 55 55 TYR . 27131 1 56 56 LEU . 27131 1 57 57 LEU . 27131 1 58 58 LYS . 27131 1 59 59 ASP . 27131 1 60 60 CYS . 27131 1 61 61 ASP . 27131 1 62 62 LEU . 27131 1 63 63 GLU . 27131 1 64 64 LYS . 27131 1 65 65 ARG . 27131 1 66 66 GLU . 27131 1 67 67 PRO . 27131 1 68 68 PRO . 27131 1 69 69 LEU . 27131 1 70 70 LYS . 27131 1 71 71 PHE . 27131 1 72 72 ILE . 27131 1 73 73 VAL . 27131 1 74 74 LYS . 27131 1 75 75 LYS . 27131 1 76 76 ASN . 27131 1 77 77 PRO . 27131 1 78 78 HIS . 27131 1 79 79 HIS . 27131 1 80 80 SER . 27131 1 81 81 GLN . 27131 1 82 82 TRP . 27131 1 83 83 GLY . 27131 1 84 84 ASP . 27131 1 85 85 MET . 27131 1 86 86 LYS . 27131 1 87 87 LEU . 27131 1 88 88 TYR . 27131 1 89 89 LEU . 27131 1 90 90 LYS . 27131 1 91 91 LEU . 27131 1 92 92 GLN . 27131 1 93 93 ILE . 27131 1 94 94 VAL . 27131 1 95 95 LYS . 27131 1 96 96 ARG . 27131 1 97 97 SER . 27131 1 98 98 LEU . 27131 1 99 99 GLU . 27131 1 100 100 VAL . 27131 1 101 101 TRP . 27131 1 102 102 GLY . 27131 1 103 103 SER . 27131 1 104 104 GLN . 27131 1 105 105 GLU . 27131 1 106 106 ALA . 27131 1 107 107 LEU . 27131 1 108 108 GLU . 27131 1 109 109 GLU . 27131 1 110 110 ALA . 27131 1 111 111 LYS . 27131 1 112 112 GLU . 27131 1 113 113 VAL . 27131 1 114 114 ARG . 27131 1 115 115 GLN . 27131 1 116 116 GLU . 27131 1 117 117 ASN . 27131 1 118 118 ARG . 27131 1 119 119 GLU . 27131 1 120 120 LYS . 27131 1 121 121 MET . 27131 1 122 122 LYS . 27131 1 123 123 GLN . 27131 1 124 124 LYS . 27131 1 125 125 LYS . 27131 1 126 126 PHE . 27131 1 127 127 ASP . 27131 1 128 128 LYS . 27131 1 129 129 LYS . 27131 1 130 130 VAL . 27131 1 131 131 LYS . 27131 1 132 132 GLU . 27131 1 133 133 LEU . 27131 1 134 134 ARG . 27131 1 135 135 ARG . 27131 1 136 136 ALA . 27131 1 137 137 VAL . 27131 1 138 138 ARG . 27131 1 139 139 SER . 27131 1 140 140 SER . 27131 1 141 141 VAL . 27131 1 142 142 TRP . 27131 1 143 143 LYS . 27131 1 144 144 ARG . 27131 1 145 145 GLU . 27131 1 146 146 THR . 27131 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 27131 1 . PRO 2 2 27131 1 . GLY 3 3 27131 1 . SER 4 4 27131 1 . MET 5 5 27131 1 . GLU 6 6 27131 1 . PHE 7 7 27131 1 . ASP 8 8 27131 1 . TYR 9 9 27131 1 . VAL 10 10 27131 1 . ILE 11 11 27131 1 . CYS 12 12 27131 1 . GLU 13 13 27131 1 . GLU 14 14 27131 1 . CYS 15 15 27131 1 . GLY 16 16 27131 1 . LYS 17 17 27131 1 . GLU 18 18 27131 1 . PHE 19 19 27131 1 . MET 20 20 27131 1 . ASP 21 21 27131 1 . SER 22 22 27131 1 . TYR 23 23 27131 1 . LEU 24 24 27131 1 . MET 25 25 27131 1 . ASN 26 26 27131 1 . HIS 27 27 27131 1 . PHE 28 28 27131 1 . ASP 29 29 27131 1 . LEU 30 30 27131 1 . PRO 31 31 27131 1 . THR 32 32 27131 1 . CYS 33 33 27131 1 . ASP 34 34 27131 1 . ASN 35 35 27131 1 . CYS 36 36 27131 1 . ARG 37 37 27131 1 . ASP 38 38 27131 1 . ALA 39 39 27131 1 . ASP 40 40 27131 1 . ASP 41 41 27131 1 . LYS 42 42 27131 1 . HIS 43 43 27131 1 . LYS 44 44 27131 1 . LEU 45 45 27131 1 . ILE 46 46 27131 1 . THR 47 47 27131 1 . LYS 48 48 27131 1 . THR 49 49 27131 1 . GLU 50 50 27131 1 . ALA 51 51 27131 1 . LYS 52 52 27131 1 . GLN 53 53 27131 1 . GLU 54 54 27131 1 . TYR 55 55 27131 1 . LEU 56 56 27131 1 . LEU 57 57 27131 1 . LYS 58 58 27131 1 . ASP 59 59 27131 1 . CYS 60 60 27131 1 . ASP 61 61 27131 1 . LEU 62 62 27131 1 . GLU 63 63 27131 1 . LYS 64 64 27131 1 . ARG 65 65 27131 1 . GLU 66 66 27131 1 . PRO 67 67 27131 1 . PRO 68 68 27131 1 . LEU 69 69 27131 1 . LYS 70 70 27131 1 . PHE 71 71 27131 1 . ILE 72 72 27131 1 . VAL 73 73 27131 1 . LYS 74 74 27131 1 . LYS 75 75 27131 1 . ASN 76 76 27131 1 . PRO 77 77 27131 1 . HIS 78 78 27131 1 . HIS 79 79 27131 1 . SER 80 80 27131 1 . GLN 81 81 27131 1 . TRP 82 82 27131 1 . GLY 83 83 27131 1 . ASP 84 84 27131 1 . MET 85 85 27131 1 . LYS 86 86 27131 1 . LEU 87 87 27131 1 . TYR 88 88 27131 1 . LEU 89 89 27131 1 . LYS 90 90 27131 1 . LEU 91 91 27131 1 . GLN 92 92 27131 1 . ILE 93 93 27131 1 . VAL 94 94 27131 1 . LYS 95 95 27131 1 . ARG 96 96 27131 1 . SER 97 97 27131 1 . LEU 98 98 27131 1 . GLU 99 99 27131 1 . VAL 100 100 27131 1 . TRP 101 101 27131 1 . GLY 102 102 27131 1 . SER 103 103 27131 1 . GLN 104 104 27131 1 . GLU 105 105 27131 1 . ALA 106 106 27131 1 . LEU 107 107 27131 1 . GLU 108 108 27131 1 . GLU 109 109 27131 1 . ALA 110 110 27131 1 . LYS 111 111 27131 1 . GLU 112 112 27131 1 . VAL 113 113 27131 1 . ARG 114 114 27131 1 . GLN 115 115 27131 1 . GLU 116 116 27131 1 . ASN 117 117 27131 1 . ARG 118 118 27131 1 . GLU 119 119 27131 1 . LYS 120 120 27131 1 . MET 121 121 27131 1 . LYS 122 122 27131 1 . GLN 123 123 27131 1 . LYS 124 124 27131 1 . LYS 125 125 27131 1 . PHE 126 126 27131 1 . ASP 127 127 27131 1 . LYS 128 128 27131 1 . LYS 129 129 27131 1 . VAL 130 130 27131 1 . LYS 131 131 27131 1 . GLU 132 132 27131 1 . LEU 133 133 27131 1 . ARG 134 134 27131 1 . ARG 135 135 27131 1 . ALA 136 136 27131 1 . VAL 137 137 27131 1 . ARG 138 138 27131 1 . SER 139 139 27131 1 . SER 140 140 27131 1 . VAL 141 141 27131 1 . TRP 142 142 27131 1 . LYS 143 143 27131 1 . ARG 144 144 27131 1 . GLU 145 145 27131 1 . THR 146 146 27131 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27131 _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 $XPA98-239 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27131 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27131 _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 $XPA98-239 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pBG100 . . . 27131 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27131 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'measurement in shape tube' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 XPA '[U-100% 13C; U-100% 15N]' . . 1 $XPA98-239 . . 0.5 . . mM . . . . 27131 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 27131 1 3 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 27131 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 27131 1 5 DSS 'natural abundance' . . . . . . .5 . . mM . . . . 27131 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 27131 _Sample_condition_list.ID 1 _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' 500 . mM 27131 1 pH 7.0 . pH 27131 1 pressure 1 . atm 27131 1 temperature 298 . K 27131 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27131 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version 9.2.0-b2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27131 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27131 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 27131 _Software.ID 3 _Software.Type . _Software.Name TALOS _Software.Version '3.80F1 Rev 2012.080.14.41' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 27131 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27131 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27131 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27131 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27131 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27131 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27131 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27131 5 processing 27131 5 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27131 _Software.ID 1 _Software.Type . _Software.Name PINE _Software.Version 2.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27131 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27131 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27131 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'CPQCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27131 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'CPQCI probe' . . 27131 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27131 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27131 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27131 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27131 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27131 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27131 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27131 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27131 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27131 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27131 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27131 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27131 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 27131 1 2 '3D HNCO' . . . 27131 1 3 '3D HNCA' . . . 27131 1 4 '3D CBCA(CO)NH' . . . 27131 1 5 '3D HNCACB' . . . 27131 1 6 '3D HN(CO)CA' . . . 27131 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 $NMRView . . 27131 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO C C 13 177.5268 0.0000 . 1 . . 33902 . . 2 PRO C . 27131 1 2 . 1 1 2 2 PRO CA C 13 63.5152 0.0000 . 1 . . -1 . . 2 PRO CA . 27131 1 3 . 1 1 2 2 PRO CB C 13 32.0732 0.0000 . 1 . . -1 . . 2 PRO CB . 27131 1 4 . 1 1 3 3 GLY H H 1 8.6518 0.0000 . 1 . . 31563 . . 3 GLY H . 27131 1 5 . 1 1 3 3 GLY C C 13 174.2579 0.0000 . 1 . . . . . 3 GLY C . 27131 1 6 . 1 1 3 3 GLY CA C 13 45.2846 0.0000 . 1 . . 73855 . . 3 GLY CA . 27131 1 7 . 1 1 3 3 GLY N N 15 110.2911 0.0000 . 1 . . 31564 . . 3 GLY N . 27131 1 8 . 1 1 4 4 SER H H 1 8.1615 0.0000 . 1 . . 31512 . . 4 SER H . 27131 1 9 . 1 1 4 4 SER C C 13 174.6308 0.0000 . 1 . . . . . 4 SER C . 27131 1 10 . 1 1 4 4 SER CA C 13 58.3737 0.0000 . 1 . . 31802 . . 4 SER CA . 27131 1 11 . 1 1 4 4 SER CB C 13 63.7534 0.0000 . 1 . . 73737 . . 4 SER CB . 27131 1 12 . 1 1 4 4 SER N N 15 115.5838 0.0000 . 1 . . 31513 . . 4 SER N . 27131 1 13 . 1 1 5 5 MET H H 1 8.4190 0.0000 . 1 . . 29898 . . 5 MET H . 27131 1 14 . 1 1 5 5 MET C C 13 177.6000 0.0000 . 1 . . . . . 5 MET C . 27131 1 15 . 1 1 5 5 MET CA C 13 55.4996 0.0000 . 1 . . 75210 . . 5 MET CA . 27131 1 16 . 1 1 5 5 MET CB C 13 32.6732 0.0000 . 1 . . 72263 . . 5 MET CB . 27131 1 17 . 1 1 5 5 MET N N 15 121.9540 0.0000 . 1 . . 29899 . . 5 MET N . 27131 1 18 . 1 1 6 6 GLU H H 1 8.2741 0.0000 . 1 . . 66310 . . 6 GLU H . 27131 1 19 . 1 1 6 6 GLU C C 13 175.6500 0.0000 . 1 . . . . . 6 GLU C . 27131 1 20 . 1 1 6 6 GLU CA C 13 56.6709 0.0000 . 1 . . 66342 . . 6 GLU CA . 27131 1 21 . 1 1 6 6 GLU CB C 13 30.2426 0.0000 . 1 . . 66344 . . 6 GLU CB . 27131 1 22 . 1 1 6 6 GLU N N 15 121.5079 0.0000 . 1 . . 66311 . . 6 GLU N . 27131 1 23 . 1 1 7 7 PHE H H 1 7.8952 0.0000 . 1 . . 31398 . . 7 PHE H . 27131 1 24 . 1 1 7 7 PHE C C 13 174.7094 0.0000 . 1 . . . . . 7 PHE C . 27131 1 25 . 1 1 7 7 PHE CA C 13 55.4413 0.0000 . 1 . . . . . 7 PHE CA . 27131 1 26 . 1 1 7 7 PHE CB C 13 40.0497 0.0000 . 1 . . 30527 . . 7 PHE CB . 27131 1 27 . 1 1 7 7 PHE N N 15 119.3877 0.0000 . 1 . . 31399 . . 7 PHE N . 27131 1 28 . 1 1 8 8 ASP H H 1 8.2031 0.0000 . 1 . . 60675 . . 8 ASP H . 27131 1 29 . 1 1 8 8 ASP C C 13 175.0223 0.0000 . 1 . . . . . 8 ASP C . 27131 1 30 . 1 1 8 8 ASP CA C 13 53.9338 0.0000 . 1 . . 64590 . . 8 ASP CA . 27131 1 31 . 1 1 8 8 ASP CB C 13 41.2715 0.0000 . 1 . . 64582 . . 8 ASP CB . 27131 1 32 . 1 1 8 8 ASP N N 15 121.2596 0.0000 . 1 . . 60676 . . 8 ASP N . 27131 1 33 . 1 1 9 9 TYR H H 1 7.6831 0.0000 . 1 . . 31434 . . 9 TYR H . 27131 1 34 . 1 1 9 9 TYR C C 13 174.9854 0.0000 . 1 . . . . . 9 TYR C . 27131 1 35 . 1 1 9 9 TYR CA C 13 57.4713 0.0000 . 1 . . 64525 . . 9 TYR CA . 27131 1 36 . 1 1 9 9 TYR CB C 13 39.7490 0.0000 . 1 . . 64529 . . 9 TYR CB . 27131 1 37 . 1 1 9 9 TYR N N 15 118.0146 0.0000 . 1 . . 31435 . . 9 TYR N . 27131 1 38 . 1 1 10 10 VAL H H 1 8.6093 0.0000 . 1 . . 31254 . . 10 VAL H . 27131 1 39 . 1 1 10 10 VAL C C 13 173.6523 0.0000 . 1 . . . . . 10 VAL C . 27131 1 40 . 1 1 10 10 VAL CA C 13 60.5011 0.0000 . 1 . . 64572 . . 10 VAL CA . 27131 1 41 . 1 1 10 10 VAL CB C 13 33.0578 0.0000 . 1 . . 64578 . . 10 VAL CB . 27131 1 42 . 1 1 10 10 VAL N N 15 121.9864 0.0000 . 1 . . 31255 . . 10 VAL N . 27131 1 43 . 1 1 11 11 ILE H H 1 7.9187 0.0000 . 1 . . 34146 . . 11 ILE H . 27131 1 44 . 1 1 11 11 ILE C C 13 175.9188 0.0000 . 1 . . . . . 11 ILE C . 27131 1 45 . 1 1 11 11 ILE CA C 13 58.9318 0.0000 . 1 . . 29531 . . 11 ILE CA . 27131 1 46 . 1 1 11 11 ILE CB C 13 37.7095 0.0000 . 1 . . 29543 . . 11 ILE CB . 27131 1 47 . 1 1 11 11 ILE N N 15 123.3301 0.0000 . 1 . . 34147 . . 11 ILE N . 27131 1 48 . 1 1 12 12 CYS H H 1 8.8543 0.0000 . 1 . . 31752 . . 12 CYS H . 27131 1 49 . 1 1 12 12 CYS C C 13 178.3120 0.0000 . 1 . . . . . 12 CYS C . 27131 1 50 . 1 1 12 12 CYS CA C 13 59.9086 0.0000 . 1 . . 31703 . . 12 CYS CA . 27131 1 51 . 1 1 12 12 CYS CB C 13 30.8795 0.0000 . 1 . . 29195 . . 12 CYS CB . 27131 1 52 . 1 1 12 12 CYS N N 15 128.2244 0.0000 . 1 . . 31753 . . 12 CYS N . 27131 1 53 . 1 1 13 13 GLU H H 1 9.5097 0.0000 . 1 . . 31098 . . 13 GLU H . 27131 1 54 . 1 1 13 13 GLU C C 13 176.1283 0.0000 . 1 . . . . . 13 GLU C . 27131 1 55 . 1 1 13 13 GLU CA C 13 58.3417 0.0000 . 1 . . 29180 . . 13 GLU CA . 27131 1 56 . 1 1 13 13 GLU CB C 13 29.9314 0.0000 . 1 . . 29177 . . 13 GLU CB . 27131 1 57 . 1 1 13 13 GLU N N 15 131.5052 0.0000 . 1 . . 31099 . . 13 GLU N . 27131 1 58 . 1 1 14 14 GLU H H 1 9.2357 0.0000 . 1 . . 34014 . . 14 GLU H . 27131 1 59 . 1 1 14 14 GLU C C 13 177.5502 0.0000 . 1 . . . . . 14 GLU C . 27131 1 60 . 1 1 14 14 GLU CA C 13 57.9685 0.0000 . 1 . . 30035 . . 14 GLU CA . 27131 1 61 . 1 1 14 14 GLU CB C 13 30.6869 0.0000 . 1 . . 46395 . . 14 GLU CB . 27131 1 62 . 1 1 14 14 GLU N N 15 121.1737 0.0000 . 1 . . 34015 . . 14 GLU N . 27131 1 63 . 1 1 15 15 CYS H H 1 8.3882 0.0000 . 1 . . 31464 . . 15 CYS H . 27131 1 64 . 1 1 15 15 CYS C C 13 177.4211 0.0000 . 1 . . . . . 15 CYS C . 27131 1 65 . 1 1 15 15 CYS CA C 13 59.0490 0.0000 . 1 . . 40727 . . 15 CYS CA . 27131 1 66 . 1 1 15 15 CYS CB C 13 32.9482 0.0000 . 1 . . 30737 . . 15 CYS CB . 27131 1 67 . 1 1 15 15 CYS N N 15 117.3830 0.0000 . 1 . . 31465 . . 15 CYS N . 27131 1 68 . 1 1 16 16 GLY H H 1 8.0922 0.0000 . 1 . . 33903 . . 16 GLY H . 27131 1 69 . 1 1 16 16 GLY C C 13 173.5476 0.0000 . 1 . . . . . 16 GLY C . 27131 1 70 . 1 1 16 16 GLY CA C 13 46.3144 0.0000 . 1 . . 32270 . . 16 GLY CA . 27131 1 71 . 1 1 16 16 GLY N N 15 112.7933 0.0000 . 1 . . 33904 . . 16 GLY N . 27131 1 72 . 1 1 17 17 LYS H H 1 8.6195 0.0000 . 1 . . 29814 . . 17 LYS H . 27131 1 73 . 1 1 17 17 LYS C C 13 176.3210 0.0000 . 1 . . . . . 17 LYS C . 27131 1 74 . 1 1 17 17 LYS CA C 13 56.3114 0.0000 . 1 . . 64501 . . 17 LYS CA . 27131 1 75 . 1 1 17 17 LYS CB C 13 33.3503 0.0000 . 1 . . 64505 . . 17 LYS CB . 27131 1 76 . 1 1 17 17 LYS N N 15 122.0834 0.0000 . 1 . . 29815 . . 17 LYS N . 27131 1 77 . 1 1 18 18 GLU H H 1 8.5252 0.0000 . 1 . . 30054 . . 18 GLU H . 27131 1 78 . 1 1 18 18 GLU C C 13 177.0487 0.0000 . 1 . . . . . 18 GLU C . 27131 1 79 . 1 1 18 18 GLU CA C 13 55.8993 0.0000 . 1 . . 32120 . . 18 GLU CA . 27131 1 80 . 1 1 18 18 GLU CB C 13 30.4477 0.0000 . 1 . . 29990 . . 18 GLU CB . 27131 1 81 . 1 1 18 18 GLU N N 15 121.3757 0.0000 . 1 . . 30055 . . 18 GLU N . 27131 1 82 . 1 1 19 19 PHE H H 1 9.5761 0.0000 . 1 . . 31317 . . 19 PHE H . 27131 1 83 . 1 1 19 19 PHE C C 13 172.1797 0.0000 . 1 . . . . . 19 PHE C . 27131 1 84 . 1 1 19 19 PHE CA C 13 56.2767 0.0000 . 1 . . 30101 . . 19 PHE CA . 27131 1 85 . 1 1 19 19 PHE CB C 13 41.5008 0.0000 . 1 . . 30107 . . 19 PHE CB . 27131 1 86 . 1 1 19 19 PHE N N 15 121.0567 0.0000 . 1 . . 31318 . . 19 PHE N . 27131 1 87 . 1 1 20 20 MET H H 1 8.8193 0.0000 . 1 . . 32034 . . 20 MET H . 27131 1 88 . 1 1 20 20 MET C C 13 175.0261 0.0000 . 1 . . . . . 20 MET C . 27131 1 89 . 1 1 20 20 MET CA C 13 56.5242 0.0000 . 1 . . 30635 . . 20 MET CA . 27131 1 90 . 1 1 20 20 MET CB C 13 34.1553 0.0000 . 1 . . 30644 . . 20 MET CB . 27131 1 91 . 1 1 20 20 MET N N 15 118.4856 0.0000 . 1 . . 32035 . . 20 MET N . 27131 1 92 . 1 1 21 21 ASP H H 1 8.0179 0.0000 . 1 . . 31482 . . 21 ASP H . 27131 1 93 . 1 1 21 21 ASP C C 13 174.7760 0.0000 . 1 . . . . . 21 ASP C . 27131 1 94 . 1 1 21 21 ASP CA C 13 53.3326 0.0000 . 1 . . 32246 . . 21 ASP CA . 27131 1 95 . 1 1 21 21 ASP CB C 13 44.1358 0.0000 . 1 . . 30797 . . 21 ASP CB . 27131 1 96 . 1 1 21 21 ASP N N 15 116.9428 0.0000 . 1 . . 31483 . . 21 ASP N . 27131 1 97 . 1 1 22 22 SER H H 1 8.2479 0.0000 . 1 . . 32241 . . 22 SER H . 27131 1 98 . 1 1 22 22 SER C C 13 172.4417 0.0000 . 1 . . . . . 22 SER C . 27131 1 99 . 1 1 22 22 SER CA C 13 56.3816 0.0000 . 1 . . 30887 . . 22 SER CA . 27131 1 100 . 1 1 22 22 SER CB C 13 66.3459 0.0000 . 1 . . 30878 . . 22 SER CB . 27131 1 101 . 1 1 22 22 SER N N 15 115.7572 0.0000 . 1 . . 32242 . . 22 SER N . 27131 1 102 . 1 1 23 23 TYR H H 1 10.5491 0.0000 . 1 . . 34164 . . 23 TYR H . 27131 1 103 . 1 1 23 23 TYR C C 13 178.5759 0.0000 . 1 . . . . . 23 TYR C . 27131 1 104 . 1 1 23 23 TYR CA C 13 62.5770 0.0000 . 1 . . 51013 . . 23 TYR CA . 27131 1 105 . 1 1 23 23 TYR CB C 13 39.5058 0.0000 . 1 . . 63370 . . 23 TYR CB . 27131 1 106 . 1 1 23 23 TYR N N 15 125.9421 0.0000 . 1 . . 34165 . . 23 TYR N . 27131 1 107 . 1 1 24 24 LEU H H 1 9.2349 0.0000 . 1 . . 63293 . . 24 LEU H . 27131 1 108 . 1 1 24 24 LEU C C 13 179.6215 0.0000 . 1 . . . . . 24 LEU C . 27131 1 109 . 1 1 24 24 LEU CA C 13 57.8285 0.0000 . 1 . . 63333 . . 24 LEU CA . 27131 1 110 . 1 1 24 24 LEU CB C 13 40.6902 0.0000 . 1 . . 69382 . . 24 LEU CB . 27131 1 111 . 1 1 24 24 LEU N N 15 118.7117 0.0000 . 1 . . 63294 . . 24 LEU N . 27131 1 112 . 1 1 25 25 MET H H 1 8.3392 0.0000 . 1 . . 68575 . . 25 MET H . 27131 1 113 . 1 1 25 25 MET C C 13 178.7333 0.0000 . 1 . . . . . 25 MET C . 27131 1 114 . 1 1 25 25 MET CA C 13 57.9208 0.0000 . 1 . . 69401 . . 25 MET CA . 27131 1 115 . 1 1 25 25 MET CB C 13 32.5237 0.0000 . 1 . . 69403 . . 25 MET CB . 27131 1 116 . 1 1 25 25 MET N N 15 123.9279 0.0000 . 1 . . 68576 . . 25 MET N . 27131 1 117 . 1 1 26 26 ASN H H 1 8.6451 0.0000 . 1 . . 33018 . . 26 ASN H . 27131 1 118 . 1 1 26 26 ASN C C 13 177.4247 0.0000 . 1 . . . . . 26 ASN C . 27131 1 119 . 1 1 26 26 ASN CA C 13 56.1557 0.0000 . 1 . . 69425 . . 26 ASN CA . 27131 1 120 . 1 1 26 26 ASN CB C 13 38.3602 0.0000 . 1 . . 69426 . . 26 ASN CB . 27131 1 121 . 1 1 26 26 ASN N N 15 117.9123 0.0000 . 1 . . 33019 . . 26 ASN N . 27131 1 122 . 1 1 27 27 HIS H H 1 7.6978 0.0000 . 1 . . 31050 . . 27 HIS H . 27131 1 123 . 1 1 27 27 HIS C C 13 175.3191 0.0000 . 1 . . . . . 27 HIS C . 27131 1 124 . 1 1 27 27 HIS CA C 13 57.8924 0.0000 . 1 . . 31052 . . 27 HIS CA . 27131 1 125 . 1 1 27 27 HIS CB C 13 29.5394 0.0000 . 1 . . 31055 . . 27 HIS CB . 27131 1 126 . 1 1 27 27 HIS N N 15 110.5852 0.0000 . 1 . . 31051 . . 27 HIS N . 27131 1 127 . 1 1 28 28 PHE H H 1 7.2049 0.0000 . 1 . . 31014 . . 28 PHE H . 27131 1 128 . 1 1 28 28 PHE C C 13 174.3401 0.0000 . 1 . . . . . 28 PHE C . 27131 1 129 . 1 1 28 28 PHE CA C 13 57.1698 0.0000 . 1 . . 31934 . . 28 PHE CA . 27131 1 130 . 1 1 28 28 PHE CB C 13 41.0728 0.0000 . 1 . . 47944 . . 28 PHE CB . 27131 1 131 . 1 1 28 28 PHE N N 15 111.8616 0.0000 . 1 . . 31015 . . 28 PHE N . 27131 1 132 . 1 1 29 29 ASP H H 1 7.9011 0.0000 . 1 . . 43555 . . 29 ASP H . 27131 1 133 . 1 1 29 29 ASP C C 13 174.5402 0.0000 . 1 . . . . . 29 ASP C . 27131 1 134 . 1 1 29 29 ASP CA C 13 55.8915 0.0000 . 1 . . 43575 . . 29 ASP CA . 27131 1 135 . 1 1 29 29 ASP CB C 13 39.4003 0.0000 . 1 . . 43566 . . 29 ASP CB . 27131 1 136 . 1 1 29 29 ASP N N 15 116.4255 0.0000 . 1 . . 43556 . . 29 ASP N . 27131 1 137 . 1 1 30 30 LEU H H 1 7.7446 0.0000 . 1 . . 31164 . . 30 LEU H . 27131 1 138 . 1 1 30 30 LEU CA C 13 51.5888 0.0000 . 1 . . . . . 30 LEU CA . 27131 1 139 . 1 1 30 30 LEU CB C 13 44.6185 0.0000 . 1 . . 29450 . . 30 LEU CB . 27131 1 140 . 1 1 30 30 LEU N N 15 123.6598 0.0000 . 1 . . 31165 . . 30 LEU N . 27131 1 141 . 1 1 31 31 PRO C C 13 173.5138 0.0000 . 1 . . 34160 . . 31 PRO C . 27131 1 142 . 1 1 31 31 PRO CA C 13 62.5458 0.0000 . 1 . . -1 . . 31 PRO CA . 27131 1 143 . 1 1 31 31 PRO CB C 13 28.0052 0.0000 . 1 . . 50841 . . 31 PRO CB . 27131 1 144 . 1 1 32 32 THR H H 1 8.8199 0.0000 . 1 . . 29523 . . 32 THR H . 27131 1 145 . 1 1 32 32 THR C C 13 174.6309 0.0000 . 1 . . . . . 32 THR C . 27131 1 146 . 1 1 32 32 THR CA C 13 61.3238 0.0000 . 1 . . 31667 . . 32 THR CA . 27131 1 147 . 1 1 32 32 THR CB C 13 71.8564 0.0000 . 1 . . 29522 . . 32 THR CB . 27131 1 148 . 1 1 32 32 THR N N 15 123.2920 0.0000 . 1 . . 29524 . . 32 THR N . 27131 1 149 . 1 1 33 33 CYS H H 1 9.7971 0.0000 . 1 . . 29172 . . 33 CYS H . 27131 1 150 . 1 1 33 33 CYS C C 13 174.9168 0.0000 . 1 . . . . . 33 CYS C . 27131 1 151 . 1 1 33 33 CYS CA C 13 58.5714 0.0000 . 1 . . 31775 . . 33 CYS CA . 27131 1 152 . 1 1 33 33 CYS CB C 13 30.6866 0.0000 . 1 . . 29174 . . 33 CYS CB . 27131 1 153 . 1 1 33 33 CYS N N 15 135.2986 0.0000 . 1 . . 29173 . . 33 CYS N . 27131 1 154 . 1 1 34 34 ASP H H 1 8.9890 0.0000 . 1 . . 31479 . . 34 ASP H . 27131 1 155 . 1 1 34 34 ASP C C 13 178.1201 0.0000 . 1 . . . . . 34 ASP C . 27131 1 156 . 1 1 34 34 ASP CA C 13 57.2459 0.0000 . 1 . . 31928 . . 34 ASP CA . 27131 1 157 . 1 1 34 34 ASP CB C 13 40.2426 0.0000 . 1 . . -1 . . 34 ASP CB . 27131 1 158 . 1 1 34 34 ASP N N 15 116.9179 0.0000 . 1 . . 31480 . . 34 ASP N . 27131 1 159 . 1 1 35 35 ASN H H 1 8.5469 0.0000 . 1 . . 32784 . . 35 ASN H . 27131 1 160 . 1 1 35 35 ASN C C 13 176.6608 0.0000 . 1 . . . . . 35 ASN C . 27131 1 161 . 1 1 35 35 ASN CA C 13 56.0959 0.0000 . 1 . . 30170 . . 35 ASN CA . 27131 1 162 . 1 1 35 35 ASN CB C 13 38.9210 0.0000 . 1 . . 30239 . . 35 ASN CB . 27131 1 163 . 1 1 35 35 ASN N N 15 120.7015 0.0000 . 1 . . 32785 . . 35 ASN N . 27131 1 164 . 1 1 36 36 CYS H H 1 7.7593 0.0000 . 1 . . 32097 . . 36 CYS H . 27131 1 165 . 1 1 36 36 CYS C C 13 174.8481 0.0000 . 1 . . . . . 36 CYS C . 27131 1 166 . 1 1 36 36 CYS CA C 13 61.3448 0.0000 . 1 . . 29942 . . 36 CYS CA . 27131 1 167 . 1 1 36 36 CYS CB C 13 30.5918 0.0000 . 1 . . 29972 . . 36 CYS CB . 27131 1 168 . 1 1 36 36 CYS N N 15 121.5206 0.0000 . 1 . . 32098 . . 36 CYS N . 27131 1 169 . 1 1 37 37 ARG H H 1 6.8628 0.0000 . 1 . . 32025 . . 37 ARG H . 27131 1 170 . 1 1 37 37 ARG C C 13 176.7144 0.0000 . 1 . . . . . 37 ARG C . 27131 1 171 . 1 1 37 37 ARG CA C 13 56.6975 0.0000 . 1 . . 81304 . . 37 ARG CA . 27131 1 172 . 1 1 37 37 ARG CB C 13 30.1565 0.0000 . 1 . . 81310 . . 37 ARG CB . 27131 1 173 . 1 1 37 37 ARG N N 15 120.6139 0.0000 . 1 . . 32026 . . 37 ARG N . 27131 1 174 . 1 1 38 38 ASP H H 1 8.2254 0.0000 . 1 . . 81223 . . 38 ASP H . 27131 1 175 . 1 1 38 38 ASP C C 13 176.4861 0.0000 . 1 . . . . . 38 ASP C . 27131 1 176 . 1 1 38 38 ASP CA C 13 51.6348 0.0000 . 1 . . . . . 38 ASP CA . 27131 1 177 . 1 1 38 38 ASP CB C 13 41.3675 0.0000 . 1 . . 73740 . . 38 ASP CB . 27131 1 178 . 1 1 38 38 ASP N N 15 123.4686 0.0000 . 1 . . 81224 . . 38 ASP N . 27131 1 179 . 1 1 39 39 ALA H H 1 8.9035 0.0000 . 1 . . 31107 . . 39 ALA H . 27131 1 180 . 1 1 39 39 ALA C C 13 177.1723 0.0000 . 1 . . . . . 39 ALA C . 27131 1 181 . 1 1 39 39 ALA CA C 13 53.9138 0.0000 . 1 . . 59986 . . 39 ALA CA . 27131 1 182 . 1 1 39 39 ALA CB C 13 18.8657 0.0000 . 1 . . 59990 . . 39 ALA CB . 27131 1 183 . 1 1 39 39 ALA N N 15 126.0925 0.0000 . 1 . . 31108 . . 39 ALA N . 27131 1 184 . 1 1 40 40 ASP H H 1 7.7629 0.0000 . 1 . . 32235 . . 40 ASP H . 27131 1 185 . 1 1 40 40 ASP C C 13 176.3126 0.0000 . 1 . . . . . 40 ASP C . 27131 1 186 . 1 1 40 40 ASP CA C 13 55.2698 0.0000 . 1 . . 30983 . . 40 ASP CA . 27131 1 187 . 1 1 40 40 ASP CB C 13 41.9722 0.0000 . 1 . . 64425 . . 40 ASP CB . 27131 1 188 . 1 1 40 40 ASP N N 15 112.9367 0.0000 . 1 . . 32236 . . 40 ASP N . 27131 1 189 . 1 1 41 41 ASP H H 1 7.1430 0.0000 . 1 . . 63698 . . 41 ASP H . 27131 1 190 . 1 1 41 41 ASP CA C 13 55.4986 0.0000 . 1 . . 63709 . . 41 ASP CA . 27131 1 191 . 1 1 41 41 ASP N N 15 117.2412 0.0000 . 1 . . 63699 . . 41 ASP N . 27131 1 192 . 1 1 42 42 LYS C C 13 178.2289 0.0000 . 1 . . 33842 . . 42 LYS C . 27131 1 193 . 1 1 42 42 LYS CA C 13 60.8225 0.0000 . 1 . . -1 . . 42 LYS CA . 27131 1 194 . 1 1 42 42 LYS CB C 13 32.9150 0.0000 . 1 . . 33164 . . 42 LYS CB . 27131 1 195 . 1 1 43 43 HIS H H 1 8.5789 0.0000 . 1 . . 31527 . . 43 HIS H . 27131 1 196 . 1 1 43 43 HIS C C 13 173.4355 0.0000 . 1 . . . . . 43 HIS C . 27131 1 197 . 1 1 43 43 HIS CA C 13 55.6295 0.0000 . 1 . . 32135 . . 43 HIS CA . 27131 1 198 . 1 1 43 43 HIS CB C 13 29.9248 0.0000 . 1 . . 30974 . . 43 HIS CB . 27131 1 199 . 1 1 43 43 HIS N N 15 113.6551 0.0000 . 1 . . 31528 . . 43 HIS N . 27131 1 200 . 1 1 44 44 LYS H H 1 6.7390 0.0000 . 1 . . 32142 . . 44 LYS H . 27131 1 201 . 1 1 44 44 LYS C C 13 176.1759 0.0000 . 1 . . . . . 44 LYS C . 27131 1 202 . 1 1 44 44 LYS CA C 13 56.4799 0.0000 . 1 . . 30725 . . 44 LYS CA . 27131 1 203 . 1 1 44 44 LYS CB C 13 33.6043 0.0000 . 1 . . 30734 . . 44 LYS CB . 27131 1 204 . 1 1 44 44 LYS N N 15 117.4228 0.0000 . 1 . . 32143 . . 44 LYS N . 27131 1 205 . 1 1 45 45 LEU H H 1 8.3665 0.0000 . 1 . . 31194 . . 45 LEU H . 27131 1 206 . 1 1 45 45 LEU C C 13 176.9401 0.0000 . 1 . . . . . 45 LEU C . 27131 1 207 . 1 1 45 45 LEU CA C 13 53.3380 0.0000 . 1 . . 32240 . . 45 LEU CA . 27131 1 208 . 1 1 45 45 LEU CB C 13 43.1440 0.0000 . 1 . . . . . 45 LEU CB . 27131 1 209 . 1 1 45 45 LEU N N 15 122.9215 0.0000 . 1 . . 31195 . . 45 LEU N . 27131 1 210 . 1 1 46 46 ILE H H 1 9.4921 0.0000 . 1 . . 30672 . . 46 ILE H . 27131 1 211 . 1 1 46 46 ILE C C 13 174.0748 0.0000 . 1 . . . . . 46 ILE C . 27131 1 212 . 1 1 46 46 ILE CA C 13 58.9924 0.0000 . 1 . . 31742 . . 46 ILE CA . 27131 1 213 . 1 1 46 46 ILE CB C 13 42.5251 0.0000 . 1 . . 30674 . . 46 ILE CB . 27131 1 214 . 1 1 46 46 ILE N N 15 118.1195 0.0000 . 1 . . 30673 . . 46 ILE N . 27131 1 215 . 1 1 47 47 THR H H 1 8.8101 0.0000 . 1 . . 39719 . . 47 THR H . 27131 1 216 . 1 1 47 47 THR C C 13 175.8795 0.0000 . 1 . . . . . 47 THR C . 27131 1 217 . 1 1 47 47 THR CA C 13 61.8803 0.0000 . 1 . . 39727 . . 47 THR CA . 27131 1 218 . 1 1 47 47 THR CB C 13 71.1736 0.0000 . 1 . . 39724 . . 47 THR CB . 27131 1 219 . 1 1 47 47 THR N N 15 115.4529 0.0000 . 1 . . 39720 . . 47 THR N . 27131 1 220 . 1 1 48 48 LYS H H 1 8.8513 0.0000 . 1 . . 31686 . . 48 LYS H . 27131 1 221 . 1 1 48 48 LYS C C 13 177.8700 0.0000 . 1 . . . . . 48 LYS C . 27131 1 222 . 1 1 48 48 LYS CA C 13 60.4970 0.0000 . 1 . . 31688 . . 48 LYS CA . 27131 1 223 . 1 1 48 48 LYS CB C 13 33.4719 0.0000 . 1 . . 46902 . . 48 LYS CB . 27131 1 224 . 1 1 48 48 LYS N N 15 121.9586 0.0000 . 1 . . 31687 . . 48 LYS N . 27131 1 225 . 1 1 49 49 THR H H 1 7.9497 0.0000 . 1 . . 31581 . . 49 THR H . 27131 1 226 . 1 1 49 49 THR C C 13 176.3237 0.0000 . 1 . . . . . 49 THR C . 27131 1 227 . 1 1 49 49 THR CA C 13 66.8017 0.0000 . 1 . . 31001 . . 49 THR CA . 27131 1 228 . 1 1 49 49 THR CB C 13 68.8897 0.0000 . 1 . . 30998 . . 49 THR CB . 27131 1 229 . 1 1 49 49 THR N N 15 112.1624 0.0000 . 1 . . 31582 . . 49 THR N . 27131 1 230 . 1 1 50 50 GLU H H 1 7.9563 0.0000 . 1 . . 32067 . . 50 GLU H . 27131 1 231 . 1 1 50 50 GLU C C 13 178.5291 0.0000 . 1 . . . . . 50 GLU C . 27131 1 232 . 1 1 50 50 GLU CA C 13 59.7044 0.0000 . 1 . . 29606 . . 50 GLU CA . 27131 1 233 . 1 1 50 50 GLU CB C 13 29.7124 0.0000 . 1 . . 29630 . . 50 GLU CB . 27131 1 234 . 1 1 50 50 GLU N N 15 122.9418 0.0000 . 1 . . 32068 . . 50 GLU N . 27131 1 235 . 1 1 51 51 ALA H H 1 8.8431 0.0000 . 1 . . 31308 . . 51 ALA H . 27131 1 236 . 1 1 51 51 ALA C C 13 179.3931 0.0000 . 1 . . . . . 51 ALA C . 27131 1 237 . 1 1 51 51 ALA CA C 13 55.3196 0.0000 . 1 . . 30044 . . 51 ALA CA . 27131 1 238 . 1 1 51 51 ALA CB C 13 18.3990 0.0000 . 1 . . 30122 . . 51 ALA CB . 27131 1 239 . 1 1 51 51 ALA N N 15 121.1258 0.0000 . 1 . . 31309 . . 51 ALA N . 27131 1 240 . 1 1 52 52 LYS H H 1 8.2575 0.0000 . 1 . . 31521 . . 52 LYS H . 27131 1 241 . 1 1 52 52 LYS C C 13 176.8358 0.0000 . 1 . . . . . 52 LYS C . 27131 1 242 . 1 1 52 52 LYS CA C 13 60.6325 0.0000 . 1 . . 57980 . . 52 LYS CA . 27131 1 243 . 1 1 52 52 LYS CB C 13 32.3241 0.0000 . 1 . . 57977 . . 52 LYS CB . 27131 1 244 . 1 1 52 52 LYS N N 15 114.5406 0.0000 . 1 . . 31522 . . 52 LYS N . 27131 1 245 . 1 1 53 53 GLN H H 1 7.9436 0.0000 . 1 . . 57632 . . 53 GLN H . 27131 1 246 . 1 1 53 53 GLN C C 13 177.9644 0.0000 . 1 . . . . . 53 GLN C . 27131 1 247 . 1 1 53 53 GLN CA C 13 58.6047 0.0000 . 1 . . 57988 . . 53 GLN CA . 27131 1 248 . 1 1 53 53 GLN CB C 13 29.4724 0.0000 . 1 . . 57986 . . 53 GLN CB . 27131 1 249 . 1 1 53 53 GLN N N 15 116.5299 0.0000 . 1 . . 57633 . . 53 GLN N . 27131 1 250 . 1 1 54 54 GLU H H 1 8.8006 0.0000 . 1 . . 39692 . . 54 GLU H . 27131 1 251 . 1 1 54 54 GLU C C 13 177.3227 0.0000 . 1 . . . . . 54 GLU C . 27131 1 252 . 1 1 54 54 GLU CA C 13 57.5120 0.0000 . 1 . . 58009 . . 54 GLU CA . 27131 1 253 . 1 1 54 54 GLU CB C 13 29.8234 0.0000 . 1 . . 58015 . . 54 GLU CB . 27131 1 254 . 1 1 54 54 GLU N N 15 115.5893 0.0000 . 1 . . 39693 . . 54 GLU N . 27131 1 255 . 1 1 55 55 TYR H H 1 7.2900 0.0000 . 1 . . 33165 . . 55 TYR H . 27131 1 256 . 1 1 55 55 TYR C C 13 172.4488 0.0000 . 1 . . . . . 55 TYR C . 27131 1 257 . 1 1 55 55 TYR CA C 13 58.0390 0.0000 . 1 . . 41025 . . 55 TYR CA . 27131 1 258 . 1 1 55 55 TYR CB C 13 37.1028 0.0000 . 1 . . 30980 . . 55 TYR CB . 27131 1 259 . 1 1 55 55 TYR N N 15 113.2171 0.0000 . 1 . . 33166 . . 55 TYR N . 27131 1 260 . 1 1 56 56 LEU H H 1 7.0360 0.0000 . 1 . . 32130 . . 56 LEU H . 27131 1 261 . 1 1 56 56 LEU C C 13 176.1544 0.0000 . 1 . . . . . 56 LEU C . 27131 1 262 . 1 1 56 56 LEU CA C 13 55.7526 0.0000 . 1 . . 30929 . . 56 LEU CA . 27131 1 263 . 1 1 56 56 LEU CB C 13 39.0589 0.0000 . 1 . . 30941 . . 56 LEU CB . 27131 1 264 . 1 1 56 56 LEU N N 15 115.5802 0.0000 . 1 . . 32131 . . 56 LEU N . 27131 1 265 . 1 1 57 57 LEU H H 1 7.4643 0.0000 . 1 . . 31467 . . 57 LEU H . 27131 1 266 . 1 1 57 57 LEU C C 13 176.3126 0.0000 . 1 . . . . . 57 LEU C . 27131 1 267 . 1 1 57 57 LEU CA C 13 52.8859 0.0000 . 1 . . 30746 . . 57 LEU CA . 27131 1 268 . 1 1 57 57 LEU CB C 13 44.9996 0.0000 . 1 . . 30749 . . 57 LEU CB . 27131 1 269 . 1 1 57 57 LEU N N 15 117.2634 0.0000 . 1 . . 31468 . . 57 LEU N . 27131 1 270 . 1 1 58 58 LYS H H 1 9.4948 0.0000 . 1 . . 31305 . . 58 LYS H . 27131 1 271 . 1 1 58 58 LYS C C 13 178.5506 0.0000 . 1 . . . . . 58 LYS C . 27131 1 272 . 1 1 58 58 LYS CA C 13 54.4182 0.0000 . 1 . . 29981 . . 58 LYS CA . 27131 1 273 . 1 1 58 58 LYS CB C 13 35.5806 0.0000 . 1 . . 29987 . . 58 LYS CB . 27131 1 274 . 1 1 58 58 LYS N N 15 121.3737 0.0000 . 1 . . 31306 . . 58 LYS N . 27131 1 275 . 1 1 59 59 ASP H H 1 8.9787 0.0000 . 1 . . 31218 . . 59 ASP H . 27131 1 276 . 1 1 59 59 ASP C C 13 179.5201 0.0000 . 1 . . . . . 59 ASP C . 27131 1 277 . 1 1 59 59 ASP CA C 13 59.1128 0.0000 . 1 . . 38248 . . 59 ASP CA . 27131 1 278 . 1 1 59 59 ASP CB C 13 39.6906 0.0000 . 1 . . 29657 . . 59 ASP CB . 27131 1 279 . 1 1 59 59 ASP N N 15 122.7003 0.0000 . 1 . . 31219 . . 59 ASP N . 27131 1 280 . 1 1 60 60 CYS H H 1 8.6195 0.0000 . 1 . . 33786 . . 60 CYS H . 27131 1 281 . 1 1 60 60 CYS C C 13 176.3641 0.0000 . 1 . . . . . 60 CYS C . 27131 1 282 . 1 1 60 60 CYS CA C 13 60.0949 0.0000 . 1 . . 36473 . . 60 CYS CA . 27131 1 283 . 1 1 60 60 CYS CB C 13 26.8675 0.0000 . 1 . . . . . 60 CYS CB . 27131 1 284 . 1 1 60 60 CYS N N 15 115.1759 0.0000 . 1 . . 33787 . . 60 CYS N . 27131 1 285 . 1 1 61 61 ASP H H 1 7.4062 0.0000 . 1 . . 29535 . . 61 ASP H . 27131 1 286 . 1 1 61 61 ASP C C 13 176.1443 0.0000 . 1 . . . . . 61 ASP C . 27131 1 287 . 1 1 61 61 ASP CA C 13 57.1792 0.0000 . 1 . . 56011 . . 61 ASP CA . 27131 1 288 . 1 1 61 61 ASP CB C 13 42.7599 0.0000 . 1 . . 46595 . . 61 ASP CB . 27131 1 289 . 1 1 61 61 ASP N N 15 123.2727 0.0000 . 1 . . 29536 . . 61 ASP N . 27131 1 290 . 1 1 62 62 LEU H H 1 7.3050 0.0000 . 1 . . 33105 . . 62 LEU H . 27131 1 291 . 1 1 62 62 LEU C C 13 177.6329 0.0000 . 1 . . . . . 62 LEU C . 27131 1 292 . 1 1 62 62 LEU CA C 13 56.7467 0.0000 . 1 . . 46558 . . 62 LEU CA . 27131 1 293 . 1 1 62 62 LEU CB C 13 42.6365 0.0000 . 1 . . -1 . . 62 LEU CB . 27131 1 294 . 1 1 62 62 LEU N N 15 116.2543 0.0000 . 1 . . 33106 . . 62 LEU N . 27131 1 295 . 1 1 63 63 GLU H H 1 8.0469 0.0000 . 1 . . 31524 . . 63 GLU H . 27131 1 296 . 1 1 63 63 GLU C C 13 179.5451 0.0000 . 1 . . . . . 63 GLU C . 27131 1 297 . 1 1 63 63 GLU CA C 13 57.3257 0.0000 . 1 . . 57828 . . 63 GLU CA . 27131 1 298 . 1 1 63 63 GLU CB C 13 32.3966 0.0000 . 1 . . 57832 . . 63 GLU CB . 27131 1 299 . 1 1 63 63 GLU N N 15 113.9028 0.0000 . 1 . . 31525 . . 63 GLU N . 27131 1 300 . 1 1 64 64 LYS H H 1 7.9460 0.0000 . 1 . . 57605 . . 64 LYS H . 27131 1 301 . 1 1 64 64 LYS C C 13 176.6839 0.0000 . 1 . . . . . 64 LYS C . 27131 1 302 . 1 1 64 64 LYS CA C 13 56.0123 0.0000 . 1 . . 57835 . . 64 LYS CA . 27131 1 303 . 1 1 64 64 LYS CB C 13 33.2699 0.0000 . 1 . . 57838 . . 64 LYS CB . 27131 1 304 . 1 1 64 64 LYS N N 15 116.5322 0.0000 . 1 . . 57606 . . 64 LYS N . 27131 1 305 . 1 1 65 65 ARG H H 1 6.9478 0.0000 . 1 . . 33957 . . 65 ARG H . 27131 1 306 . 1 1 65 65 ARG C C 13 174.5427 0.0000 . 1 . . . . . 65 ARG C . 27131 1 307 . 1 1 65 65 ARG CA C 13 56.4779 0.0000 . 1 . . 57939 . . 65 ARG CA . 27131 1 308 . 1 1 65 65 ARG CB C 13 30.3767 0.0000 . 1 . . 57935 . . 65 ARG CB . 27131 1 309 . 1 1 65 65 ARG N N 15 120.0519 0.0000 . 1 . . 33958 . . 65 ARG N . 27131 1 310 . 1 1 66 66 GLU H H 1 8.2537 0.0000 . 1 . . 34122 . . 66 GLU H . 27131 1 311 . 1 1 66 66 GLU CA C 13 54.3913 0.0000 . 1 . . 49602 . . 66 GLU CA . 27131 1 312 . 1 1 66 66 GLU CB C 13 32.6408 0.0000 . 1 . . 49633 . . 66 GLU CB . 27131 1 313 . 1 1 66 66 GLU N N 15 122.3163 0.0000 . 1 . . 34123 . . 66 GLU N . 27131 1 314 . 1 1 68 68 PRO C C 13 177.4806 0.0000 . 1 . . 34211 . . 68 PRO C . 27131 1 315 . 1 1 68 68 PRO CA C 13 63.0177 0.0000 . 1 . . 53604 . . 68 PRO CA . 27131 1 316 . 1 1 68 68 PRO CB C 13 31.9321 0.0000 . 1 . . 32549 . . 68 PRO CB . 27131 1 317 . 1 1 69 69 LEU H H 1 8.2149 0.0000 . 1 . . 29757 . . 69 LEU H . 27131 1 318 . 1 1 69 69 LEU C C 13 178.0592 0.0000 . 1 . . . . . 69 LEU C . 27131 1 319 . 1 1 69 69 LEU CA C 13 55.2053 0.0000 . 1 . . 32165 . . 69 LEU CA . 27131 1 320 . 1 1 69 69 LEU CB C 13 42.3750 0.0000 . 1 . . 29765 . . 69 LEU CB . 27131 1 321 . 1 1 69 69 LEU N N 15 122.3733 0.0000 . 1 . . 29758 . . 69 LEU N . 27131 1 322 . 1 1 70 70 LYS H H 1 9.7238 0.0000 . 1 . . 31113 . . 70 LYS H . 27131 1 323 . 1 1 70 70 LYS C C 13 173.9402 0.0000 . 1 . . . . . 70 LYS C . 27131 1 324 . 1 1 70 70 LYS CA C 13 56.2060 0.0000 . 1 . . 32063 . . 70 LYS CA . 27131 1 325 . 1 1 70 70 LYS CB C 13 34.3858 0.0000 . 1 . . 29225 . . 70 LYS CB . 27131 1 326 . 1 1 70 70 LYS N N 15 125.2792 0.0000 . 1 . . 31114 . . 70 LYS N . 27131 1 327 . 1 1 71 71 PHE H H 1 7.0410 0.0000 . 1 . . 31041 . . 71 PHE H . 27131 1 328 . 1 1 71 71 PHE C C 13 175.6166 0.0000 . 1 . . . . . 71 PHE C . 27131 1 329 . 1 1 71 71 PHE CA C 13 54.7731 0.0000 . 1 . . 32183 . . 71 PHE CA . 27131 1 330 . 1 1 71 71 PHE CB C 13 41.2097 0.0000 . 1 . . 31034 . . 71 PHE CB . 27131 1 331 . 1 1 71 71 PHE N N 15 111.6557 0.0000 . 1 . . 31042 . . 71 PHE N . 27131 1 332 . 1 1 72 72 ILE H H 1 9.2313 0.0000 . 1 . . 30675 . . 72 ILE H . 27131 1 333 . 1 1 72 72 ILE C C 13 174.9247 0.0000 . 1 . . . . . 72 ILE C . 27131 1 334 . 1 1 72 72 ILE CA C 13 59.4697 0.0000 . 1 . . 30662 . . 72 ILE CA . 27131 1 335 . 1 1 72 72 ILE CB C 13 41.5715 0.0000 . 1 . . . . . 72 ILE CB . 27131 1 336 . 1 1 72 72 ILE N N 15 118.0133 0.0000 . 1 . . 30676 . . 72 ILE N . 27131 1 337 . 1 1 73 73 VAL H H 1 8.5223 0.0000 . 1 . . 31179 . . 73 VAL H . 27131 1 338 . 1 1 73 73 VAL C C 13 176.0141 0.0000 . 1 . . . . . 73 VAL C . 27131 1 339 . 1 1 73 73 VAL CA C 13 61.5000 0.0000 . 1 . . 48282 . . 73 VAL CA . 27131 1 340 . 1 1 73 73 VAL CB C 13 33.2837 0.0000 . 1 . . 48264 . . 73 VAL CB . 27131 1 341 . 1 1 73 73 VAL N N 15 123.2855 0.0000 . 1 . . 31180 . . 73 VAL N . 27131 1 342 . 1 1 74 74 LYS H H 1 8.9134 0.0000 . 1 . . 32184 . . 74 LYS H . 27131 1 343 . 1 1 74 74 LYS C C 13 175.1565 0.0000 . 1 . . . . . 74 LYS C . 27131 1 344 . 1 1 74 74 LYS CA C 13 54.7888 0.0000 . 1 . . 32186 . . 74 LYS CA . 27131 1 345 . 1 1 74 74 LYS CB C 13 35.3064 0.0000 . 1 . . 29192 . . 74 LYS CB . 27131 1 346 . 1 1 74 74 LYS N N 15 128.3954 0.0000 . 1 . . 32185 . . 74 LYS N . 27131 1 347 . 1 1 75 75 LYS H H 1 8.5396 0.0000 . 1 . . 31131 . . 75 LYS H . 27131 1 348 . 1 1 75 75 LYS C C 13 176.3317 0.0000 . 1 . . . . . 75 LYS C . 27131 1 349 . 1 1 75 75 LYS CA C 13 56.0262 0.0000 . 1 . . 32090 . . 75 LYS CA . 27131 1 350 . 1 1 75 75 LYS CB C 13 32.6112 0.0000 . 1 . . 29291 . . 75 LYS CB . 27131 1 351 . 1 1 75 75 LYS N N 15 124.7057 0.0000 . 1 . . 31132 . . 75 LYS N . 27131 1 352 . 1 1 76 76 ASN H H 1 8.8797 0.0000 . 1 . . 33984 . . 76 ASN H . 27131 1 353 . 1 1 76 76 ASN CA C 13 51.2529 0.0000 . 1 . . 29696 . . 76 ASN CA . 27131 1 354 . 1 1 76 76 ASN CB C 13 39.4724 0.0000 . 1 . . 29702 . . 76 ASN CB . 27131 1 355 . 1 1 76 76 ASN N N 15 122.6727 0.0000 . 1 . . 33985 . . 76 ASN N . 27131 1 356 . 1 1 78 78 HIS CA C 13 58.0899 0.0000 . 1 . . 73926 . . 78 HIS CA . 27131 1 357 . 1 1 79 79 HIS H H 1 8.1287 0.0000 . 1 . . 34206 . . 79 HIS H . 27131 1 358 . 1 1 79 79 HIS CB C 13 29.1878 0.0000 . 1 . . . . . 79 HIS CB . 27131 1 359 . 1 1 79 79 HIS N N 15 120.3341 0.0000 . 1 . . 34207 . . 79 HIS N . 27131 1 360 . 1 1 80 80 SER C C 13 175.2561 0.0000 . 1 . . 34064 . . 80 SER C . 27131 1 361 . 1 1 80 80 SER CA C 13 59.5609 0.0000 . 1 . . -1 . . 80 SER CA . 27131 1 362 . 1 1 80 80 SER CB C 13 63.5782 0.0000 . 1 . . -1 . . 80 SER CB . 27131 1 363 . 1 1 81 81 GLN H H 1 8.7308 0.0000 . 1 . . 31722 . . 81 GLN H . 27131 1 364 . 1 1 81 81 GLN C C 13 176.0881 0.0000 . 1 . . . . . 81 GLN C . 27131 1 365 . 1 1 81 81 GLN CA C 13 56.6215 0.0000 . 1 . . 32015 . . 81 GLN CA . 27131 1 366 . 1 1 81 81 GLN CB C 13 28.6669 0.0000 . 1 . . 30119 . . 81 GLN CB . 27131 1 367 . 1 1 81 81 GLN N N 15 121.0741 0.0000 . 1 . . 31723 . . 81 GLN N . 27131 1 368 . 1 1 82 82 TRP H H 1 7.9796 0.0000 . 1 . . 31845 . . 82 TRP H . 27131 1 369 . 1 1 82 82 TRP C C 13 176.7987 0.0000 . 1 . . . . . 82 TRP C . 27131 1 370 . 1 1 82 82 TRP CA C 13 56.9180 0.0000 . 1 . . 31961 . . 82 TRP CA . 27131 1 371 . 1 1 82 82 TRP CB C 13 29.8682 0.0000 . 1 . . 30458 . . 82 TRP CB . 27131 1 372 . 1 1 82 82 TRP N N 15 119.8519 0.0000 . 1 . . 31846 . . 82 TRP N . 27131 1 373 . 1 1 83 83 GLY H H 1 8.2525 0.0000 . 1 . . 31962 . . 83 GLY H . 27131 1 374 . 1 1 83 83 GLY C C 13 173.6628 0.0000 . 1 . . . . . 83 GLY C . 27131 1 375 . 1 1 83 83 GLY CA C 13 45.4828 0.0000 . 1 . . 32279 . . 83 GLY CA . 27131 1 376 . 1 1 83 83 GLY N N 15 108.6604 0.0000 . 1 . . 31963 . . 83 GLY N . 27131 1 377 . 1 1 84 84 ASP H H 1 8.2596 0.0000 . 1 . . 31356 . . 84 ASP H . 27131 1 378 . 1 1 84 84 ASP C C 13 176.0760 0.0000 . 1 . . . . . 84 ASP C . 27131 1 379 . 1 1 84 84 ASP CA C 13 54.6772 0.0000 . 1 . . 55911 . . 84 ASP CA . 27131 1 380 . 1 1 84 84 ASP CB C 13 41.4979 0.0000 . 1 . . 55915 . . 84 ASP CB . 27131 1 381 . 1 1 84 84 ASP N N 15 120.6470 0.0000 . 1 . . 31357 . . 84 ASP N . 27131 1 382 . 1 1 85 85 MET H H 1 8.6036 0.0000 . 1 . . 41227 . . 85 MET H . 27131 1 383 . 1 1 85 85 MET C C 13 174.4236 0.0000 . 1 . . . . . 85 MET C . 27131 1 384 . 1 1 85 85 MET CA C 13 54.7861 0.0000 . 1 . . 46623 . . 85 MET CA . 27131 1 385 . 1 1 85 85 MET CB C 13 34.8834 0.0000 . 1 . . 82280 . . 85 MET CB . 27131 1 386 . 1 1 85 85 MET N N 15 120.5504 0.0000 . 1 . . 41228 . . 85 MET N . 27131 1 387 . 1 1 86 86 LYS H H 1 8.2508 0.0000 . 1 . . 81247 . . 86 LYS H . 27131 1 388 . 1 1 86 86 LYS C C 13 174.9681 0.0000 . 1 . . . . . 86 LYS C . 27131 1 389 . 1 1 86 86 LYS CA C 13 56.2461 0.0000 . 1 . . 82283 . . 86 LYS CA . 27131 1 390 . 1 1 86 86 LYS CB C 13 34.9332 0.0000 . 1 . . -1 . . 86 LYS CB . 27131 1 391 . 1 1 86 86 LYS N N 15 123.5987 0.0000 . 1 . . 81248 . . 86 LYS N . 27131 1 392 . 1 1 87 87 LEU H H 1 9.3003 0.0000 . 1 . . 31203 . . 87 LEU H . 27131 1 393 . 1 1 87 87 LEU C C 13 175.0462 0.0000 . 1 . . . . . 87 LEU C . 27131 1 394 . 1 1 87 87 LEU CA C 13 53.9526 0.0000 . 1 . . 81617 . . 87 LEU CA . 27131 1 395 . 1 1 87 87 LEU CB C 13 44.4605 0.0000 . 1 . . 81616 . . 87 LEU CB . 27131 1 396 . 1 1 87 87 LEU N N 15 122.7099 0.0000 . 1 . . 31204 . . 87 LEU N . 27131 1 397 . 1 1 88 88 TYR H H 1 9.2910 0.0000 . 1 . . 34077 . . 88 TYR H . 27131 1 398 . 1 1 88 88 TYR C C 13 174.9994 0.0000 . 1 . . . . . 88 TYR C . 27131 1 399 . 1 1 88 88 TYR CA C 13 56.5346 0.0000 . 1 . . 48171 . . 88 TYR CA . 27131 1 400 . 1 1 88 88 TYR CB C 13 42.7125 0.0000 . 1 . . 48155 . . 88 TYR CB . 27131 1 401 . 1 1 88 88 TYR N N 15 119.8858 0.0000 . 1 . . 34078 . . 88 TYR N . 27131 1 402 . 1 1 89 89 LEU H H 1 9.3866 0.0000 . 1 . . 31191 . . 89 LEU H . 27131 1 403 . 1 1 89 89 LEU C C 13 178.2429 0.0000 . 1 . . . . . 89 LEU C . 27131 1 404 . 1 1 89 89 LEU CA C 13 54.6621 0.0000 . 1 . . 32210 . . 89 LEU CA . 27131 1 405 . 1 1 89 89 LEU CB C 13 41.3619 0.0000 . 1 . . 48098 . . 89 LEU CB . 27131 1 406 . 1 1 89 89 LEU N N 15 123.0990 0.0000 . 1 . . 31192 . . 89 LEU N . 27131 1 407 . 1 1 90 90 LYS H H 1 8.7776 0.0000 . 1 . . 33837 . . 90 LYS H . 27131 1 408 . 1 1 90 90 LYS C C 13 177.6864 0.0000 . 1 . . . . . 90 LYS C . 27131 1 409 . 1 1 90 90 LYS CA C 13 61.7948 0.0000 . 1 . . 38821 . . 90 LYS CA . 27131 1 410 . 1 1 90 90 LYS CB C 13 32.0645 0.0000 . 1 . . 38846 . . 90 LYS CB . 27131 1 411 . 1 1 90 90 LYS N N 15 131.8652 0.0000 . 1 . . 33838 . . 90 LYS N . 27131 1 412 . 1 1 91 91 LEU H H 1 9.3976 0.0000 . 1 . . 33885 . . 91 LEU H . 27131 1 413 . 1 1 91 91 LEU C C 13 179.8585 0.0000 . 1 . . . . . 91 LEU C . 27131 1 414 . 1 1 91 91 LEU CA C 13 58.7413 0.0000 . 1 . . 31769 . . 91 LEU CA . 27131 1 415 . 1 1 91 91 LEU CB C 13 41.9363 0.0000 . 1 . . 30731 . . 91 LEU CB . 27131 1 416 . 1 1 91 91 LEU N N 15 117.4479 0.0000 . 1 . . 33886 . . 91 LEU N . 27131 1 417 . 1 1 92 92 GLN H H 1 7.1912 0.0000 . 1 . . 36181 . . 92 GLN H . 27131 1 418 . 1 1 92 92 GLN C C 13 178.5516 0.0000 . 1 . . . . . 92 GLN C . 27131 1 419 . 1 1 92 92 GLN CA C 13 58.3773 0.0000 . 1 . . 36189 . . 92 GLN CA . 27131 1 420 . 1 1 92 92 GLN CB C 13 27.6175 0.0000 . 1 . . 36285 . . 92 GLN CB . 27131 1 421 . 1 1 92 92 GLN N N 15 116.7830 0.0000 . 1 . . 36182 . . 92 GLN N . 27131 1 422 . 1 1 93 93 ILE H H 1 7.6884 0.0000 . 1 . . 32394 . . 93 ILE H . 27131 1 423 . 1 1 93 93 ILE C C 13 177.2981 0.0000 . 1 . . . . . 93 ILE C . 27131 1 424 . 1 1 93 93 ILE CA C 13 60.8969 0.0000 . 1 . . 31673 . . 93 ILE CA . 27131 1 425 . 1 1 93 93 ILE CB C 13 34.3533 0.0000 . 1 . . 29408 . . 93 ILE CB . 27131 1 426 . 1 1 93 93 ILE N N 15 123.8842 0.0000 . 1 . . 32395 . . 93 ILE N . 27131 1 427 . 1 1 94 94 VAL H H 1 8.5999 0.0000 . 1 . . 41197 . . 94 VAL H . 27131 1 428 . 1 1 94 94 VAL C C 13 179.1469 0.0000 . 1 . . . . . 94 VAL C . 27131 1 429 . 1 1 94 94 VAL CA C 13 66.7806 0.0000 . 1 . . 41211 . . 94 VAL CA . 27131 1 430 . 1 1 94 94 VAL CB C 13 31.7447 0.0000 . 1 . . 41214 . . 94 VAL CB . 27131 1 431 . 1 1 94 94 VAL N N 15 120.7088 0.0000 . 1 . . 41198 . . 94 VAL N . 27131 1 432 . 1 1 95 95 LYS H H 1 7.2111 0.0000 . 1 . . 31704 . . 95 LYS H . 27131 1 433 . 1 1 95 95 LYS C C 13 178.7234 0.0000 . 1 . . . . . 95 LYS C . 27131 1 434 . 1 1 95 95 LYS CA C 13 59.9758 0.0000 . 1 . . 31706 . . 95 LYS CA . 27131 1 435 . 1 1 95 95 LYS CB C 13 32.4473 0.0000 . 1 . . 36948 . . 95 LYS CB . 27131 1 436 . 1 1 95 95 LYS N N 15 118.6772 0.0000 . 1 . . 31705 . . 95 LYS N . 27131 1 437 . 1 1 96 96 ARG H H 1 8.0385 0.0000 . 1 . . 37830 . . 96 ARG H . 27131 1 438 . 1 1 96 96 ARG C C 13 177.9536 0.0000 . 1 . . . . . 96 ARG C . 27131 1 439 . 1 1 96 96 ARG CA C 13 56.4430 0.0000 . 1 . . 37911 . . 96 ARG CA . 27131 1 440 . 1 1 96 96 ARG CB C 13 27.8251 0.0000 . 1 . . 37841 . . 96 ARG CB . 27131 1 441 . 1 1 96 96 ARG N N 15 119.4326 0.0000 . 1 . . 37831 . . 96 ARG N . 27131 1 442 . 1 1 97 97 SER H H 1 8.9560 0.0000 . 1 . . 31497 . . 97 SER H . 27131 1 443 . 1 1 97 97 SER C C 13 176.1791 0.0000 . 1 . . . . . 97 SER C . 27131 1 444 . 1 1 97 97 SER CA C 13 62.7099 0.0000 . 1 . . 31631 . . 97 SER CA . 27131 1 445 . 1 1 97 97 SER CB C 13 63.0873 0.0000 . 1 . . . . . 97 SER CB . 27131 1 446 . 1 1 97 97 SER N N 15 116.0209 0.0000 . 1 . . 31498 . . 97 SER N . 27131 1 447 . 1 1 98 98 LEU H H 1 7.8551 0.0000 . 1 . . 31947 . . 98 LEU H . 27131 1 448 . 1 1 98 98 LEU C C 13 180.7377 0.0000 . 1 . . . . . 98 LEU C . 27131 1 449 . 1 1 98 98 LEU CA C 13 57.7792 0.0000 . 1 . . 31871 . . 98 LEU CA . 27131 1 450 . 1 1 98 98 LEU CB C 13 41.1669 0.0000 . 1 . . 29867 . . 98 LEU CB . 27131 1 451 . 1 1 98 98 LEU N N 15 121.9491 0.0000 . 1 . . 31948 . . 98 LEU N . 27131 1 452 . 1 1 99 99 GLU H H 1 7.9258 0.0000 . 1 . . 30174 . . 99 GLU H . 27131 1 453 . 1 1 99 99 GLU C C 13 178.8228 0.0000 . 1 . . . . . 99 GLU C . 27131 1 454 . 1 1 99 99 GLU CA C 13 59.1013 0.0000 . 1 . . 31736 . . 99 GLU CA . 27131 1 455 . 1 1 99 99 GLU CB C 13 29.5547 0.0000 . 1 . . 30065 . . 99 GLU CB . 27131 1 456 . 1 1 99 99 GLU N N 15 121.1635 0.0000 . 1 . . 30175 . . 99 GLU N . 27131 1 457 . 1 1 100 100 VAL H H 1 7.9543 0.0000 . 1 . . 32973 . . 100 VAL H . 27131 1 458 . 1 1 100 100 VAL C C 13 178.0330 0.0000 . 1 . . . . . 100 VAL C . 27131 1 459 . 1 1 100 100 VAL CA C 13 65.9375 0.0000 . 1 . . 30632 . . 100 VAL CA . 27131 1 460 . 1 1 100 100 VAL CB C 13 32.4188 0.0000 . 1 . . 30629 . . 100 VAL CB . 27131 1 461 . 1 1 100 100 VAL N N 15 118.5173 0.0000 . 1 . . 32974 . . 100 VAL N . 27131 1 462 . 1 1 101 101 TRP H H 1 8.6388 0.0000 . 1 . . 31770 . . 101 TRP H . 27131 1 463 . 1 1 101 101 TRP C C 13 177.6963 0.0000 . 1 . . . . . 101 TRP C . 27131 1 464 . 1 1 101 101 TRP CA C 13 58.8557 0.0000 . 1 . . 31772 . . 101 TRP CA . 27131 1 465 . 1 1 101 101 TRP CB C 13 30.1258 0.0000 . 1 . . 30740 . . 101 TRP CB . 27131 1 466 . 1 1 101 101 TRP N N 15 117.4474 0.0000 . 1 . . 31771 . . 101 TRP N . 27131 1 467 . 1 1 102 102 GLY H H 1 8.1287 0.0000 . 1 . . 31749 . . 102 GLY H . 27131 1 468 . 1 1 102 102 GLY C C 13 174.1088 0.0000 . 1 . . . . . 102 GLY C . 27131 1 469 . 1 1 102 102 GLY CA C 13 46.7463 0.0000 . 1 . . 31037 . . 102 GLY CA . 27131 1 470 . 1 1 102 102 GLY N N 15 111.5753 0.0000 . 1 . . . . . 102 GLY N . 27131 1 471 . 1 1 103 103 SER H H 1 7.5394 0.0000 . 1 . . 31935 . . 103 SER H . 27131 1 472 . 1 1 103 103 SER C C 13 173.6499 0.0000 . 1 . . . . . 103 SER C . 27131 1 473 . 1 1 103 103 SER CA C 13 57.1783 0.0000 . 1 . . 31073 . . 103 SER CA . 27131 1 474 . 1 1 103 103 SER CB C 13 65.5660 0.0000 . 1 . . 31070 . . 103 SER CB . 27131 1 475 . 1 1 103 103 SER N N 15 109.9369 0.0000 . 1 . . 31936 . . 103 SER N . 27131 1 476 . 1 1 104 104 GLN H H 1 9.2625 0.0000 . 1 . . 31212 . . 104 GLN H . 27131 1 477 . 1 1 104 104 GLN C C 13 177.9753 0.0000 . 1 . . . . . 104 GLN C . 27131 1 478 . 1 1 104 104 GLN CA C 13 58.4809 0.0000 . 1 . . 31784 . . 104 GLN CA . 27131 1 479 . 1 1 104 104 GLN CB C 13 28.0209 0.0000 . 1 . . 29714 . . 104 GLN CB . 27131 1 480 . 1 1 104 104 GLN N N 15 122.6701 0.0000 . 1 . . 31213 . . 104 GLN N . 27131 1 481 . 1 1 105 105 GLU H H 1 9.0013 0.0000 . 1 . . 31410 . . 105 GLU H . 27131 1 482 . 1 1 105 105 GLU C C 13 178.8689 0.0000 . 1 . . . . . 105 GLU C . 27131 1 483 . 1 1 105 105 GLU CA C 13 60.5191 0.0000 . 1 . . 30596 . . 105 GLU CA . 27131 1 484 . 1 1 105 105 GLU CB C 13 28.6095 0.0000 . 1 . . 37478 . . 105 GLU CB . 27131 1 485 . 1 1 105 105 GLU N N 15 118.9952 0.0000 . 1 . . 31411 . . 105 GLU N . 27131 1 486 . 1 1 106 106 ALA H H 1 8.1075 0.0000 . 1 . . 37473 . . 106 ALA H . 27131 1 487 . 1 1 106 106 ALA C C 13 180.7101 0.0000 . 1 . . . . . 106 ALA C . 27131 1 488 . 1 1 106 106 ALA CA C 13 54.9238 0.0000 . 1 . . 31265 . . 106 ALA CA . 27131 1 489 . 1 1 106 106 ALA CB C 13 19.0044 0.0000 . 1 . . 37487 . . 106 ALA CB . 27131 1 490 . 1 1 106 106 ALA N N 15 122.8022 0.0000 . 1 . . 37474 . . 106 ALA N . 27131 1 491 . 1 1 107 107 LEU H H 1 7.3496 0.0000 . 1 . . 32610 . . 107 LEU H . 27131 1 492 . 1 1 107 107 LEU C C 13 177.6681 0.0000 . 1 . . . . . 107 LEU C . 27131 1 493 . 1 1 107 107 LEU CA C 13 58.0194 0.0000 . 1 . . 31823 . . 107 LEU CA . 27131 1 494 . 1 1 107 107 LEU CB C 13 41.0332 0.0000 . 1 . . 29909 . . 107 LEU CB . 27131 1 495 . 1 1 107 107 LEU N N 15 121.8461 0.0000 . 1 . . 32611 . . 107 LEU N . 27131 1 496 . 1 1 108 108 GLU H H 1 8.3128 0.0000 . 1 . . 33030 . . 108 GLU H . 27131 1 497 . 1 1 108 108 GLU C C 13 179.8873 0.0000 . 1 . . . . . 108 GLU C . 27131 1 498 . 1 1 108 108 GLU CA C 13 59.3858 0.0000 . 1 . . 65918 . . 108 GLU CA . 27131 1 499 . 1 1 108 108 GLU CB C 13 28.4537 0.0000 . 1 . . 65923 . . 108 GLU CB . 27131 1 500 . 1 1 108 108 GLU N N 15 117.6898 0.0000 . 1 . . 33031 . . 108 GLU N . 27131 1 501 . 1 1 109 109 GLU H H 1 8.0986 0.0000 . 1 . . 32862 . . 109 GLU H . 27131 1 502 . 1 1 109 109 GLU C C 13 178.3518 0.0000 . 1 . . . . . 109 GLU C . 27131 1 503 . 1 1 109 109 GLU CA C 13 59.3384 0.0000 . 1 . . 58508 . . 109 GLU CA . 27131 1 504 . 1 1 109 109 GLU CB C 13 29.4339 0.0000 . 1 . . 32561 . . 109 GLU CB . 27131 1 505 . 1 1 109 109 GLU N N 15 120.0371 0.0000 . 1 . . 32863 . . 109 GLU N . 27131 1 506 . 1 1 110 110 ALA H H 1 7.5520 0.0000 . 1 . . 32559 . . 110 ALA H . 27131 1 507 . 1 1 110 110 ALA C C 13 180.7268 0.0000 . 1 . . . . . 110 ALA C . 27131 1 508 . 1 1 110 110 ALA CA C 13 54.7562 0.0000 . 1 . . 32189 . . 110 ALA CA . 27131 1 509 . 1 1 110 110 ALA CB C 13 18.5020 0.0000 . 1 . . 29750 . . 110 ALA CB . 27131 1 510 . 1 1 110 110 ALA N N 15 122.3497 0.0000 . 1 . . 32560 . . 110 ALA N . 27131 1 511 . 1 1 111 111 LYS H H 1 8.0443 0.0000 . 1 . . 31419 . . 111 LYS H . 27131 1 512 . 1 1 111 111 LYS C C 13 178.8829 0.0000 . 1 . . . . . 111 LYS C . 27131 1 513 . 1 1 111 111 LYS CA C 13 59.7776 0.0000 . 1 . . 31718 . . 111 LYS CA . 27131 1 514 . 1 1 111 111 LYS CB C 13 32.2602 0.0000 . 1 . . 30323 . . 111 LYS CB . 27131 1 515 . 1 1 111 111 LYS N N 15 118.6962 0.0000 . 1 . . 31420 . . 111 LYS N . 27131 1 516 . 1 1 112 112 GLU H H 1 7.7689 0.0000 . 1 . . 31626 . . 112 GLU H . 27131 1 517 . 1 1 112 112 GLU C C 13 178.7114 0.0000 . 1 . . . . . 112 GLU C . 27131 1 518 . 1 1 112 112 GLU CA C 13 58.8711 0.0000 . 1 . . 58611 . . 112 GLU CA . 27131 1 519 . 1 1 112 112 GLU CB C 13 29.2501 0.0000 . 1 . . 30329 . . 112 GLU CB . 27131 1 520 . 1 1 112 112 GLU N N 15 120.2719 0.0000 . 1 . . 31627 . . 112 GLU N . 27131 1 521 . 1 1 113 113 VAL H H 1 7.9096 0.0000 . 1 . . 31761 . . 113 VAL H . 27131 1 522 . 1 1 113 113 VAL C C 13 177.8816 0.0000 . 1 . . . . . 113 VAL C . 27131 1 523 . 1 1 113 113 VAL CA C 13 64.8918 0.0000 . 1 . . 58621 . . 113 VAL CA . 27131 1 524 . 1 1 113 113 VAL CB C 13 31.9734 0.0000 . 1 . . 58623 . . 113 VAL CB . 27131 1 525 . 1 1 113 113 VAL N N 15 119.2464 0.0000 . 1 . . 31762 . . 113 VAL N . 27131 1 526 . 1 1 114 114 ARG H H 1 7.8430 0.0000 . 1 . . 31341 . . 114 ARG H . 27131 1 527 . 1 1 114 114 ARG C C 13 178.0318 0.0000 . 1 . . . . . 114 ARG C . 27131 1 528 . 1 1 114 114 ARG CA C 13 58.1438 0.0000 . 1 . . 73280 . . 114 ARG CA . 27131 1 529 . 1 1 114 114 ARG CB C 13 30.2674 0.0000 . 1 . . 77952 . . 114 ARG CB . 27131 1 530 . 1 1 114 114 ARG N N 15 120.4519 0.0000 . 1 . . 31342 . . 114 ARG N . 27131 1 531 . 1 1 115 115 GLN H H 1 8.2802 0.0000 . 1 . . 31359 . . 115 GLN H . 27131 1 532 . 1 1 115 115 GLN C C 13 178.0413 0.0000 . 1 . . . . . 115 GLN C . 27131 1 533 . 1 1 115 115 GLN CA C 13 58.0551 0.0000 . 1 . . 40493 . . 115 GLN CA . 27131 1 534 . 1 1 115 115 GLN CB C 13 29.5941 0.0000 . 1 . . 77960 . . 115 GLN CB . 27131 1 535 . 1 1 115 115 GLN N N 15 120.2021 0.0000 . 1 . . 31360 . . 115 GLN N . 27131 1 536 . 1 1 116 116 GLU H H 1 8.0975 0.0000 . 1 . . 31362 . . 116 GLU H . 27131 1 537 . 1 1 116 116 GLU C C 13 176.9101 0.0000 . 1 . . . . . 116 GLU C . 27131 1 538 . 1 1 116 116 GLU CA C 13 57.9708 0.0000 . 1 . . 73463 . . 116 GLU CA . 27131 1 539 . 1 1 116 116 GLU CB C 13 32.6924 0.0000 . 1 . . 78274 . . 116 GLU CB . 27131 1 540 . 1 1 116 116 GLU N N 15 120.2657 0.0000 . 1 . . 31363 . . 116 GLU N . 27131 1 541 . 1 1 117 117 ASN H H 1 8.2742 0.0000 . 1 . . 70335 . . 117 ASN H . 27131 1 542 . 1 1 117 117 ASN C C 13 176.8642 0.0000 . 1 . . . . . 117 ASN C . 27131 1 543 . 1 1 117 117 ASN CA C 13 54.4862 0.0000 . 1 . . 73453 . . 117 ASN CA . 27131 1 544 . 1 1 117 117 ASN CB C 13 41.3402 0.0000 . 1 . . 73741 . . 117 ASN CB . 27131 1 545 . 1 1 117 117 ASN N N 15 122.0627 0.0000 . 1 . . 70336 . . 117 ASN N . 27131 1 546 . 1 1 118 118 ARG H H 1 8.1386 0.0000 . 1 . . 77307 . . 118 ARG H . 27131 1 547 . 1 1 118 118 ARG C C 13 175.2669 0.0000 . 1 . . . . . 118 ARG C . 27131 1 548 . 1 1 118 118 ARG CA C 13 56.1195 0.0000 . 1 . . 74127 . . 118 ARG CA . 27131 1 549 . 1 1 118 118 ARG CB C 13 30.4835 0.0000 . 1 . . 78244 . . 118 ARG CB . 27131 1 550 . 1 1 118 118 ARG N N 15 121.6050 0.0000 . 1 . . 77308 . . 118 ARG N . 27131 1 551 . 1 1 119 119 GLU H H 1 7.7671 0.0000 . 1 . . 71813 . . 119 GLU H . 27131 1 552 . 1 1 119 119 GLU C C 13 175.3865 0.0000 . 1 . . . . . 119 GLU C . 27131 1 553 . 1 1 119 119 GLU CA C 13 55.8863 0.0000 . 1 . . 78202 . . 119 GLU CA . 27131 1 554 . 1 1 119 119 GLU CB C 13 29.7424 0.0000 . 1 . . 78204 . . 119 GLU CB . 27131 1 555 . 1 1 119 119 GLU N N 15 118.2598 0.0000 . 1 . . 71814 . . 119 GLU N . 27131 1 556 . 1 1 120 120 LYS H H 1 8.4026 0.0000 . 1 . . 34188 . . 120 LYS H . 27131 1 557 . 1 1 120 120 LYS C C 13 176.7144 0.0000 . 1 . . . . . 120 LYS C . 27131 1 558 . 1 1 120 120 LYS CA C 13 58.2560 0.0000 . 1 . . 78267 . . 120 LYS CA . 27131 1 559 . 1 1 120 120 LYS CB C 13 32.8060 0.0000 . 1 . . 78290 . . 120 LYS CB . 27131 1 560 . 1 1 120 120 LYS N N 15 117.8348 0.0000 . 1 . . 34189 . . 120 LYS N . 27131 1 561 . 1 1 121 121 MET H H 1 8.1895 0.0000 . 1 . . 68980 . . 121 MET H . 27131 1 562 . 1 1 121 121 MET C C 13 177.9523 0.0000 . 1 . . . . . 121 MET C . 27131 1 563 . 1 1 121 121 MET CA C 13 57.7197 0.0000 . 1 . . 78732 . . 121 MET CA . 27131 1 564 . 1 1 121 121 MET CB C 13 32.3929 0.0000 . 1 . . 79902 . . 121 MET CB . 27131 1 565 . 1 1 121 121 MET N N 15 121.9624 0.0000 . 1 . . 68981 . . 121 MET N . 27131 1 566 . 1 1 122 122 LYS H H 1 8.0388 0.0000 . 1 . . 30546 . . 122 LYS H . 27131 1 567 . 1 1 122 122 LYS C C 13 177.1783 0.0000 . 1 . . . . . 122 LYS C . 27131 1 568 . 1 1 122 122 LYS CA C 13 56.5606 0.0000 . 1 . . 77978 . . 122 LYS CA . 27131 1 569 . 1 1 122 122 LYS CB C 13 32.3245 0.0000 . 1 . . 77982 . . 122 LYS CB . 27131 1 570 . 1 1 122 122 LYS N N 15 119.0257 0.0000 . 1 . . 30547 . . 122 LYS N . 27131 1 571 . 1 1 123 123 GLN H H 1 8.0080 0.0000 . 1 . . 33921 . . 123 GLN H . 27131 1 572 . 1 1 123 123 GLN C C 13 177.2345 0.0000 . 1 . . . . . 123 GLN C . 27131 1 573 . 1 1 123 123 GLN CA C 13 57.3842 0.0000 . 1 . . 77990 . . 123 GLN CA . 27131 1 574 . 1 1 123 123 GLN CB C 13 32.5989 0.0000 . 1 . . 77994 . . 123 GLN CB . 27131 1 575 . 1 1 123 123 GLN N N 15 121.0206 0.0000 . 1 . . 33922 . . 123 GLN N . 27131 1 576 . 1 1 124 124 LYS H H 1 8.1337 0.0000 . 1 . . 31374 . . 124 LYS H . 27131 1 577 . 1 1 124 124 LYS C C 13 177.2959 0.0000 . 1 . . . . . 124 LYS C . 27131 1 578 . 1 1 124 124 LYS CA C 13 57.5838 0.0000 . 1 . . 72438 . . 124 LYS CA . 27131 1 579 . 1 1 124 124 LYS CB C 13 28.6595 0.0000 . 1 . . 78004 . . 124 LYS CB . 27131 1 580 . 1 1 124 124 LYS N N 15 120.0814 0.0000 . 1 . . 31375 . . 124 LYS N . 27131 1 581 . 1 1 125 125 LYS H H 1 8.3769 0.0000 . 1 . . 31332 . . 125 LYS H . 27131 1 582 . 1 1 125 125 LYS C C 13 177.8095 0.0000 . 1 . . . . . 125 LYS C . 27131 1 583 . 1 1 125 125 LYS CA C 13 58.1818 0.0000 . 1 . . 78012 . . 125 LYS CA . 27131 1 584 . 1 1 125 125 LYS CB C 13 29.5550 0.0000 . 1 . . 78016 . . 125 LYS CB . 27131 1 585 . 1 1 125 125 LYS N N 15 120.7782 0.0000 . 1 . . 31333 . . 125 LYS N . 27131 1 586 . 1 1 126 126 PHE H H 1 8.3320 0.0000 . 1 . . 39859 . . 126 PHE H . 27131 1 587 . 1 1 126 126 PHE C C 13 176.6329 0.0000 . 1 . . . . . 126 PHE C . 27131 1 588 . 1 1 126 126 PHE CA C 13 54.6435 0.0000 . 1 . . 78022 . . 126 PHE CA . 27131 1 589 . 1 1 126 126 PHE CB C 13 38.4271 0.0000 . 1 . . 78026 . . 126 PHE CB . 27131 1 590 . 1 1 126 126 PHE N N 15 118.4344 0.0000 . 1 . . 39860 . . 126 PHE N . 27131 1 591 . 1 1 127 127 ASP H H 1 8.1843 0.0000 . 1 . . 31320 . . 127 ASP H . 27131 1 592 . 1 1 127 127 ASP C C 13 175.5555 0.0000 . 1 . . . . . 127 ASP C . 27131 1 593 . 1 1 127 127 ASP CA C 13 58.0026 0.0000 . 1 . . 53422 . . 127 ASP CA . 27131 1 594 . 1 1 127 127 ASP CB C 13 39.5102 0.0000 . 1 . . 78036 . . 127 ASP CB . 27131 1 595 . 1 1 127 127 ASP N N 15 121.0217 0.0000 . 1 . . 31321 . . 127 ASP N . 27131 1 596 . 1 1 128 128 LYS H H 1 8.2815 0.0000 . 1 . . 70178 . . 128 LYS H . 27131 1 597 . 1 1 128 128 LYS C C 13 176.3510 0.0000 . 1 . . . . . 128 LYS C . 27131 1 598 . 1 1 128 128 LYS CA C 13 56.9008 0.0000 . 1 . . 78044 . . 128 LYS CA . 27131 1 599 . 1 1 128 128 LYS CB C 13 32.7487 0.0000 . 1 . . 78048 . . 128 LYS CB . 27131 1 600 . 1 1 128 128 LYS N N 15 122.0544 0.0000 . 1 . . 70179 . . 128 LYS N . 27131 1 601 . 1 1 129 129 LYS H H 1 8.1350 0.0000 . 1 . . 70913 . . 129 LYS H . 27131 1 602 . 1 1 129 129 LYS C C 13 176.9101 0.0000 . 1 . . . . . 129 LYS C . 27131 1 603 . 1 1 129 129 LYS CA C 13 56.9232 0.0000 . 1 . . 78056 . . 129 LYS CA . 27131 1 604 . 1 1 129 129 LYS CB C 13 32.8514 0.0000 . 1 . . 78060 . . 129 LYS CB . 27131 1 605 . 1 1 129 129 LYS N N 15 121.5623 0.0000 . 1 . . 70914 . . 129 LYS N . 27131 1 606 . 1 1 130 130 VAL H H 1 8.2757 0.0000 . 1 . . 29916 . . 130 VAL H . 27131 1 607 . 1 1 130 130 VAL C C 13 177.1783 0.0000 . 1 . . . . . 130 VAL C . 27131 1 608 . 1 1 130 130 VAL CA C 13 56.8632 0.0000 . 1 . . 70975 . . 130 VAL CA . 27131 1 609 . 1 1 130 130 VAL CB C 13 32.4299 0.0000 . 1 . . 78072 . . 130 VAL CB . 27131 1 610 . 1 1 130 130 VAL N N 15 121.7229 0.0000 . 1 . . 29917 . . 130 VAL N . 27131 1 611 . 1 1 131 131 LYS H H 1 8.0307 0.0000 . 1 . . 34901 . . 131 LYS H . 27131 1 612 . 1 1 131 131 LYS C C 13 176.5848 0.0000 . 1 . . . . . 131 LYS C . 27131 1 613 . 1 1 131 131 LYS CA C 13 63.1353 0.0000 . 1 . . 70993 . . 131 LYS CA . 27131 1 614 . 1 1 131 131 LYS CB C 13 32.6491 0.0000 . 1 . . . . . 131 LYS CB . 27131 1 615 . 1 1 131 131 LYS N N 15 120.9480 0.0000 . 1 . . 34902 . . 131 LYS N . 27131 1 616 . 1 1 132 132 GLU H H 1 8.2455 0.0000 . 1 . . 31137 . . 132 GLU H . 27131 1 617 . 1 1 132 132 GLU C C 13 176.1476 0.0000 . 1 . . . . . 132 GLU C . 27131 1 618 . 1 1 132 132 GLU CA C 13 56.7939 0.0000 . 1 . . 78090 . . 132 GLU CA . 27131 1 619 . 1 1 132 132 GLU CB C 13 32.8618 0.0000 . 1 . . 78289 . . 132 GLU CB . 27131 1 620 . 1 1 132 132 GLU N N 15 124.1020 0.0000 . 1 . . 31138 . . 132 GLU N . 27131 1 621 . 1 1 133 133 LEU H H 1 8.1983 0.0000 . 1 . . 30390 . . 133 LEU H . 27131 1 622 . 1 1 133 133 LEU C C 13 177.6208 0.0000 . 1 . . . . . 133 LEU C . 27131 1 623 . 1 1 133 133 LEU CA C 13 58.0076 0.0000 . 1 . . 73926 . . 133 LEU CA . 27131 1 624 . 1 1 133 133 LEU CB C 13 39.5493 0.0000 . 1 . . . . . 133 LEU CB . 27131 1 625 . 1 1 133 133 LEU N N 15 120.4400 0.0000 . 1 . . 30391 . . 133 LEU N . 27131 1 626 . 1 1 134 134 ARG H H 1 8.1286 0.0000 . 1 . . 34206 . . 134 ARG H . 27131 1 627 . 1 1 134 134 ARG C C 13 176.4300 0.0000 . 1 . . . . . 134 ARG C . 27131 1 628 . 1 1 134 134 ARG CA C 13 56.3919 0.0000 . 1 . . 65761 . . 134 ARG CA . 27131 1 629 . 1 1 134 134 ARG CB C 13 29.1324 0.0000 . 1 . . 78106 . . 134 ARG CB . 27131 1 630 . 1 1 134 134 ARG N N 15 120.3254 0.0000 . 1 . . 34207 . . 134 ARG N . 27131 1 631 . 1 1 135 135 ARG H H 1 8.1989 0.0000 . 1 . . 68977 . . 135 ARG H . 27131 1 632 . 1 1 135 135 ARG C C 13 176.1219 0.0000 . 1 . . . . . 135 ARG C . 27131 1 633 . 1 1 135 135 ARG CA C 13 56.3149 0.0000 . 1 . . 78114 . . 135 ARG CA . 27131 1 634 . 1 1 135 135 ARG CB C 13 30.7539 0.0000 . 1 . . 78118 . . 135 ARG CB . 27131 1 635 . 1 1 135 135 ARG N N 15 121.9495 0.0000 . 1 . . 68978 . . 135 ARG N . 27131 1 636 . 1 1 136 136 ALA H H 1 8.2709 0.0000 . 1 . . 31122 . . 136 ALA H . 27131 1 637 . 1 1 136 136 ALA C C 13 177.7764 0.0000 . 1 . . . . . 136 ALA C . 27131 1 638 . 1 1 136 136 ALA CA C 13 52.5763 0.0000 . 1 . . 78126 . . 136 ALA CA . 27131 1 639 . 1 1 136 136 ALA CB C 13 19.1722 0.0000 . 1 . . 78130 . . 136 ALA CB . 27131 1 640 . 1 1 136 136 ALA N N 15 125.1673 0.0000 . 1 . . 31123 . . 136 ALA N . 27131 1 641 . 1 1 137 137 VAL H H 1 8.0745 0.0000 . 1 . . 37848 . . 137 VAL H . 27131 1 642 . 1 1 137 137 VAL C C 13 176.3914 0.0000 . 1 . . . . . 137 VAL C . 27131 1 643 . 1 1 137 137 VAL CA C 13 62.4321 0.0000 . 1 . . 37856 . . 137 VAL CA . 27131 1 644 . 1 1 137 137 VAL CB C 13 32.6641 0.0000 . 1 . . 78142 . . 137 VAL CB . 27131 1 645 . 1 1 137 137 VAL N N 15 119.4678 0.0000 . 1 . . 37849 . . 137 VAL N . 27131 1 646 . 1 1 138 138 ARG H H 1 8.3800 0.0000 . 1 . . 32340 . . 138 ARG H . 27131 1 647 . 1 1 138 138 ARG C C 13 176.3350 0.0000 . 1 . . . . . 138 ARG C . 27131 1 648 . 1 1 138 138 ARG CA C 13 56.2182 0.0000 . 1 . . 78150 . . 138 ARG CA . 27131 1 649 . 1 1 138 138 ARG CB C 13 30.7859 0.0000 . 1 . . 78154 . . 138 ARG CB . 27131 1 650 . 1 1 138 138 ARG N N 15 124.6031 0.0000 . 1 . . 32341 . . 138 ARG N . 27131 1 651 . 1 1 139 139 SER H H 1 8.3297 0.0000 . 1 . . 31473 . . 139 SER H . 27131 1 652 . 1 1 139 139 SER C C 13 174.7030 0.0000 . 1 . . . . . 139 SER C . 27131 1 653 . 1 1 139 139 SER CA C 13 58.4495 0.0000 . 1 . . 78158 . . 139 SER CA . 27131 1 654 . 1 1 139 139 SER CB C 13 63.8878 0.0000 . 1 . . 78162 . . 139 SER CB . 27131 1 655 . 1 1 139 139 SER N N 15 117.0663 0.0000 . 1 . . 31474 . . 139 SER N . 27131 1 656 . 1 1 140 140 SER H H 1 8.3728 0.0000 . 1 . . 31440 . . 140 SER H . 27131 1 657 . 1 1 140 140 SER C C 13 174.6170 0.0000 . 1 . . . . . 140 SER C . 27131 1 658 . 1 1 140 140 SER CA C 13 58.5806 0.0000 . 1 . . 30692 . . 140 SER CA . 27131 1 659 . 1 1 140 140 SER CB C 13 63.7392 0.0000 . 1 . . 58886 . . 140 SER CB . 27131 1 660 . 1 1 140 140 SER N N 15 117.8988 0.0000 . 1 . . 31441 . . 140 SER N . 27131 1 661 . 1 1 141 141 VAL H H 1 7.9891 0.0000 . 1 . . 31347 . . 141 VAL H . 27131 1 662 . 1 1 141 141 VAL C C 13 175.8522 0.0000 . 1 . . . . . 141 VAL C . 27131 1 663 . 1 1 141 141 VAL CA C 13 62.5755 0.0000 . 1 . . 30203 . . 141 VAL CA . 27131 1 664 . 1 1 141 141 VAL CB C 13 32.4365 0.0000 . 1 . . 78182 . . 141 VAL CB . 27131 1 665 . 1 1 141 141 VAL N N 15 120.6402 0.0000 . 1 . . 31348 . . 141 VAL N . 27131 1 666 . 1 1 142 142 TRP H H 1 8.0641 0.0000 . 1 . . 31140 . . 142 TRP H . 27131 1 667 . 1 1 142 142 TRP C C 13 175.7437 0.0000 . 1 . . . . . 142 TRP C . 27131 1 668 . 1 1 142 142 TRP CA C 13 57.2756 0.0000 . 1 . . 78190 . . 142 TRP CA . 27131 1 669 . 1 1 142 142 TRP CB C 13 29.5284 0.0000 . 1 . . 78194 . . 142 TRP CB . 27131 1 670 . 1 1 142 142 TRP N N 15 124.2325 0.0000 . 1 . . 31141 . . 142 TRP N . 27131 1 671 . 1 1 143 143 LYS H H 1 7.8850 0.0000 . 1 . . 29436 . . 143 LYS H . 27131 1 672 . 1 1 143 143 LYS C C 13 175.4700 0.0000 . 1 . . . . . 143 LYS C . 27131 1 673 . 1 1 143 143 LYS CA C 13 55.8572 0.0000 . 1 . . 78212 . . 143 LYS CA . 27131 1 674 . 1 1 143 143 LYS CB C 13 33.3696 0.0000 . 1 . . 78216 . . 143 LYS CB . 27131 1 675 . 1 1 143 143 LYS N N 15 123.7794 0.0000 . 1 . . 29437 . . 143 LYS N . 27131 1 676 . 1 1 144 144 ARG H H 1 8.1196 0.0000 . 1 . . 37503 . . 144 ARG H . 27131 1 677 . 1 1 144 144 ARG C C 13 176.1455 0.0000 . 1 . . . . . 144 ARG C . 27131 1 678 . 1 1 144 144 ARG CA C 13 56.1042 0.0000 . 1 . . 37541 . . 144 ARG CA . 27131 1 679 . 1 1 144 144 ARG CB C 13 30.6109 0.0000 . 1 . . 78228 . . 144 ARG CB . 27131 1 680 . 1 1 144 144 ARG N N 15 122.7281 0.0000 . 1 . . 37504 . . 144 ARG N . 27131 1 681 . 1 1 145 145 GLU H H 1 8.4831 0.0000 . 1 . . 31197 . . 145 GLU H . 27131 1 682 . 1 1 145 145 GLU C C 13 175.8447 0.0000 . 1 . . . . . 145 GLU C . 27131 1 683 . 1 1 145 145 GLU CA C 13 56.7002 0.0000 . 1 . . 78264 . . 145 GLU CA . 27131 1 684 . 1 1 145 145 GLU CB C 13 30.3752 0.0000 . 1 . . 58927 . . 145 GLU CB . 27131 1 685 . 1 1 145 145 GLU N N 15 123.0127 0.0000 . 1 . . 31198 . . 145 GLU N . 27131 1 686 . 1 1 146 146 THR H H 1 7.8126 0.0000 . 1 . . 31377 . . 146 THR H . 27131 1 687 . 1 1 146 146 THR CA C 13 63.1955 0.0000 . 1 . . 30350 . . 146 THR CA . 27131 1 688 . 1 1 146 146 THR CB C 13 70.6750 0.0000 . 1 . . 30335 . . 146 THR CB . 27131 1 689 . 1 1 146 146 THR N N 15 120.1586 0.0000 . 1 . . 31378 . . 146 THR N . 27131 1 stop_ save_