data_5997 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5997 _Entry.Title ; Improving the Accuracy of NMR Structures of Large Proteins Using Pseudocontact Shifts as Long-range Restraints ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-11-06 _Entry.Accession_date 2003-11-06 _Entry.Last_release_date 2004-02-10 _Entry.Original_release_date 2004-02-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Vadim Gaponenko . . . 5997 2 Siddhartha Sarma . P. . 5997 3 Amanda Altieri . S. . 5997 4 David Horita . A. . 5997 5 Jess Li . . . 5997 6 R. Byrd . Andrew . 5997 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5997 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 304 5997 '15N chemical shifts' 119 5997 '1H chemical shifts' 119 5997 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 . . 2004-02-10 2003-11-06 original author . 5997 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5997 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Improving the Accuracy of NMR Structures of Large Proteins Using Pseudocontact Shifts as Long-range Restraints ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 3 _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 205 _Citation.Page_last 212 _Citation.Year 2004 _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.Entry_ID _Citation_author.Citation_ID 1 Vadim Gaponenko . . . 5997 1 2 Siddhartha Sarma . P. . 5997 1 3 Amanda Altieri . S. . 5997 1 4 David Horita . A. . 5997 1 5 Jess Li . . . 5997 1 6 R. Byrd . Andrew . 5997 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID deuteration 5997 1 ILV-labeling 5997 1 'NMR structural accuracy' 5997 1 'pseudocontact shifts' 5997 1 'residual dipolar coupling' 5997 1 STAT4 5997 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_STAT4NT _Assembly.Sf_category assembly _Assembly.Sf_framecode system_STAT4NT _Assembly.Entry_ID 5997 _Assembly.ID 1 _Assembly.Name 'STAT4 N-terminal domain, dimer' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5997 1 stop_ 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 'STAT4NT subunit 1' 1 $STAT4NT . . . native . . 1 . . 5997 1 2 'STAT4NT subunit 2' 1 $STAT4NT . . . native . . 1 . . 5997 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID STAT4NT abbreviation 5997 1 'STAT4 N-terminal domain, dimer' system 5997 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_STAT4NT _Entity.Sf_category entity _Entity.Sf_framecode STAT4NT _Entity.Entry_ID 5997 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'STAT4 N-terminal domain' _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 ; SQWNQVQQLEIKFLEQVDQF YDDNFPMEIRHLLAQWIENQ DWEAASNNETMATILLQNLL IQLDEQLGRVSKEKNLLLIH NLKRIRKVLQGKFHGNPMHV AVVISNCLREERRILAAANM PVQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 29500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1BGF . "Stat-4 N-Domain" . . . . . 99.19 124 97.54 98.36 3.11e-80 . . . . 5997 1 2 no DBJ BAE21295 . "unnamed protein product [Mus musculus]" . . . . . 100.00 748 97.56 98.37 9.23e-76 . . . . 5997 1 3 no DBJ BAE33957 . "unnamed protein product [Mus musculus]" . . . . . 100.00 466 97.56 98.37 1.24e-78 . . . . 5997 1 4 no DBJ BAE87129 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 509 100.00 100.00 1.52e-79 . . . . 5997 1 5 no DBJ BAG61799 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 668 100.00 100.00 6.38e-78 . . . . 5997 1 6 no DBJ BAG62516 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 682 100.00 100.00 1.26e-77 . . . . 5997 1 7 no GB AAA19453 . "Stat4 [Mus musculus]" . . . . . 100.00 749 97.56 98.37 7.77e-76 . . . . 5997 1 8 no GB AAA19692 . "STAT4 [Mus musculus]" . . . . . 100.00 748 97.56 98.37 9.23e-76 . . . . 5997 1 9 no GB AAB05605 . "signal transducer and activator of transcription 4 [Homo sapiens]" . . . . . 100.00 748 100.00 100.00 1.90e-77 . . . . 5997 1 10 no GB AAC12758 . "signal transducer and activator of transcription 4 [Rattus norvegicus]" . . . . . 94.31 144 97.41 98.28 5.08e-76 . . . . 5997 1 11 no GB AAH31212 . "STAT4 protein [Homo sapiens]" . . . . . 100.00 748 100.00 100.00 1.90e-77 . . . . 5997 1 12 no REF NP_001012226 . "signal transducer and activator of transcription 4 [Rattus norvegicus]" . . . . . 100.00 748 97.56 98.37 7.65e-76 . . . . 5997 1 13 no REF NP_001077161 . "signal transducer and activator of transcription 4 [Bos taurus]" . . . . . 100.00 751 100.00 100.00 1.85e-77 . . . . 5997 1 14 no REF NP_001184234 . "signal transducer and activator of transcription 4 [Sus scrofa]" . . . . . 100.00 748 99.19 100.00 3.23e-77 . . . . 5997 1 15 no REF NP_001230764 . "signal transducer and activator of transcription 4 [Homo sapiens]" . . . . . 100.00 748 100.00 100.00 1.90e-77 . . . . 5997 1 16 no REF NP_003142 . "signal transducer and activator of transcription 4 [Homo sapiens]" . . . . . 100.00 748 100.00 100.00 1.90e-77 . . . . 5997 1 17 no SP P42228 . "RecName: Full=Signal transducer and activator of transcription 4 [Mus musculus]" . . . . . 100.00 749 97.56 98.37 7.77e-76 . . . . 5997 1 18 no SP Q14765 . "RecName: Full=Signal transducer and activator of transcription 4 [Homo sapiens]" . . . . . 100.00 748 100.00 100.00 1.90e-77 . . . . 5997 1 19 no TPG DAA32590 . "TPA: signal transducer and activator of transcription 4 [Bos taurus]" . . . . . 100.00 748 100.00 100.00 1.82e-77 . . . . 5997 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID STAT4NT abbreviation 5997 1 'STAT4 N-terminal domain' common 5997 1 stop_ 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 . SER . 5997 1 2 . GLN . 5997 1 3 . TRP . 5997 1 4 . ASN . 5997 1 5 . GLN . 5997 1 6 . VAL . 5997 1 7 . GLN . 5997 1 8 . GLN . 5997 1 9 . LEU . 5997 1 10 . GLU . 5997 1 11 . ILE . 5997 1 12 . LYS . 5997 1 13 . PHE . 5997 1 14 . LEU . 5997 1 15 . GLU . 5997 1 16 . GLN . 5997 1 17 . VAL . 5997 1 18 . ASP . 5997 1 19 . GLN . 5997 1 20 . PHE . 5997 1 21 . TYR . 5997 1 22 . ASP . 5997 1 23 . ASP . 5997 1 24 . ASN . 5997 1 25 . PHE . 5997 1 26 . PRO . 5997 1 27 . MET . 5997 1 28 . GLU . 5997 1 29 . ILE . 5997 1 30 . ARG . 5997 1 31 . HIS . 5997 1 32 . LEU . 5997 1 33 . LEU . 5997 1 34 . ALA . 5997 1 35 . GLN . 5997 1 36 . TRP . 5997 1 37 . ILE . 5997 1 38 . GLU . 5997 1 39 . ASN . 5997 1 40 . GLN . 5997 1 41 . ASP . 5997 1 42 . TRP . 5997 1 43 . GLU . 5997 1 44 . ALA . 5997 1 45 . ALA . 5997 1 46 . SER . 5997 1 47 . ASN . 5997 1 48 . ASN . 5997 1 49 . GLU . 5997 1 50 . THR . 5997 1 51 . MET . 5997 1 52 . ALA . 5997 1 53 . THR . 5997 1 54 . ILE . 5997 1 55 . LEU . 5997 1 56 . LEU . 5997 1 57 . GLN . 5997 1 58 . ASN . 5997 1 59 . LEU . 5997 1 60 . LEU . 5997 1 61 . ILE . 5997 1 62 . GLN . 5997 1 63 . LEU . 5997 1 64 . ASP . 5997 1 65 . GLU . 5997 1 66 . GLN . 5997 1 67 . LEU . 5997 1 68 . GLY . 5997 1 69 . ARG . 5997 1 70 . VAL . 5997 1 71 . SER . 5997 1 72 . LYS . 5997 1 73 . GLU . 5997 1 74 . LYS . 5997 1 75 . ASN . 5997 1 76 . LEU . 5997 1 77 . LEU . 5997 1 78 . LEU . 5997 1 79 . ILE . 5997 1 80 . HIS . 5997 1 81 . ASN . 5997 1 82 . LEU . 5997 1 83 . LYS . 5997 1 84 . ARG . 5997 1 85 . ILE . 5997 1 86 . ARG . 5997 1 87 . LYS . 5997 1 88 . VAL . 5997 1 89 . LEU . 5997 1 90 . GLN . 5997 1 91 . GLY . 5997 1 92 . LYS . 5997 1 93 . PHE . 5997 1 94 . HIS . 5997 1 95 . GLY . 5997 1 96 . ASN . 5997 1 97 . PRO . 5997 1 98 . MET . 5997 1 99 . HIS . 5997 1 100 . VAL . 5997 1 101 . ALA . 5997 1 102 . VAL . 5997 1 103 . VAL . 5997 1 104 . ILE . 5997 1 105 . SER . 5997 1 106 . ASN . 5997 1 107 . CYS . 5997 1 108 . LEU . 5997 1 109 . ARG . 5997 1 110 . GLU . 5997 1 111 . GLU . 5997 1 112 . ARG . 5997 1 113 . ARG . 5997 1 114 . ILE . 5997 1 115 . LEU . 5997 1 116 . ALA . 5997 1 117 . ALA . 5997 1 118 . ALA . 5997 1 119 . ASN . 5997 1 120 . MET . 5997 1 121 . PRO . 5997 1 122 . VAL . 5997 1 123 . GLN . 5997 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 . SER 1 1 5997 1 . GLN 2 2 5997 1 . TRP 3 3 5997 1 . ASN 4 4 5997 1 . GLN 5 5 5997 1 . VAL 6 6 5997 1 . GLN 7 7 5997 1 . GLN 8 8 5997 1 . LEU 9 9 5997 1 . GLU 10 10 5997 1 . ILE 11 11 5997 1 . LYS 12 12 5997 1 . PHE 13 13 5997 1 . LEU 14 14 5997 1 . GLU 15 15 5997 1 . GLN 16 16 5997 1 . VAL 17 17 5997 1 . ASP 18 18 5997 1 . GLN 19 19 5997 1 . PHE 20 20 5997 1 . TYR 21 21 5997 1 . ASP 22 22 5997 1 . ASP 23 23 5997 1 . ASN 24 24 5997 1 . PHE 25 25 5997 1 . PRO 26 26 5997 1 . MET 27 27 5997 1 . GLU 28 28 5997 1 . ILE 29 29 5997 1 . ARG 30 30 5997 1 . HIS 31 31 5997 1 . LEU 32 32 5997 1 . LEU 33 33 5997 1 . ALA 34 34 5997 1 . GLN 35 35 5997 1 . TRP 36 36 5997 1 . ILE 37 37 5997 1 . GLU 38 38 5997 1 . ASN 39 39 5997 1 . GLN 40 40 5997 1 . ASP 41 41 5997 1 . TRP 42 42 5997 1 . GLU 43 43 5997 1 . ALA 44 44 5997 1 . ALA 45 45 5997 1 . SER 46 46 5997 1 . ASN 47 47 5997 1 . ASN 48 48 5997 1 . GLU 49 49 5997 1 . THR 50 50 5997 1 . MET 51 51 5997 1 . ALA 52 52 5997 1 . THR 53 53 5997 1 . ILE 54 54 5997 1 . LEU 55 55 5997 1 . LEU 56 56 5997 1 . GLN 57 57 5997 1 . ASN 58 58 5997 1 . LEU 59 59 5997 1 . LEU 60 60 5997 1 . ILE 61 61 5997 1 . GLN 62 62 5997 1 . LEU 63 63 5997 1 . ASP 64 64 5997 1 . GLU 65 65 5997 1 . GLN 66 66 5997 1 . LEU 67 67 5997 1 . GLY 68 68 5997 1 . ARG 69 69 5997 1 . VAL 70 70 5997 1 . SER 71 71 5997 1 . LYS 72 72 5997 1 . GLU 73 73 5997 1 . LYS 74 74 5997 1 . ASN 75 75 5997 1 . LEU 76 76 5997 1 . LEU 77 77 5997 1 . LEU 78 78 5997 1 . ILE 79 79 5997 1 . HIS 80 80 5997 1 . ASN 81 81 5997 1 . LEU 82 82 5997 1 . LYS 83 83 5997 1 . ARG 84 84 5997 1 . ILE 85 85 5997 1 . ARG 86 86 5997 1 . LYS 87 87 5997 1 . VAL 88 88 5997 1 . LEU 89 89 5997 1 . GLN 90 90 5997 1 . GLY 91 91 5997 1 . LYS 92 92 5997 1 . PHE 93 93 5997 1 . HIS 94 94 5997 1 . GLY 95 95 5997 1 . ASN 96 96 5997 1 . PRO 97 97 5997 1 . MET 98 98 5997 1 . HIS 99 99 5997 1 . VAL 100 100 5997 1 . ALA 101 101 5997 1 . VAL 102 102 5997 1 . VAL 103 103 5997 1 . ILE 104 104 5997 1 . SER 105 105 5997 1 . ASN 106 106 5997 1 . CYS 107 107 5997 1 . LEU 108 108 5997 1 . ARG 109 109 5997 1 . GLU 110 110 5997 1 . GLU 111 111 5997 1 . ARG 112 112 5997 1 . ARG 113 113 5997 1 . ILE 114 114 5997 1 . LEU 115 115 5997 1 . ALA 116 116 5997 1 . ALA 117 117 5997 1 . ALA 118 118 5997 1 . ASN 119 119 5997 1 . MET 120 120 5997 1 . PRO 121 121 5997 1 . VAL 122 122 5997 1 . GLN 123 123 5997 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 5997 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $STAT4NT . 10090 . . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 5997 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 5997 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $STAT4NT . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5997 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5997 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'STAT4 N-terminal domain' '[U-15N; U-13C]' . . 1 $STAT4NT . . 0.8 . . mM . . . . 5997 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5997 _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 pH 5.3 0.2 n/a 5997 1 temperature 298 0.5 K 5997 1 stop_ save_ ############################ # Computer software used # ############################ save_Ansig _Software.Sf_category software _Software.Sf_framecode Ansig _Software.Entry_ID 5997 _Software.ID 1 _Software.Name ANSIG _Software.Version 3.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 5997 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5997 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5997 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5997 _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 NMR_spectrometer_1 Varian INOVA . 600 . . . 5997 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 5997 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 5997 _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 H(C)(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5997 1 2 (H)C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5997 1 3 '15N/15N HSQC-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5997 1 4 '13C/15N HMQC-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5997 1 5 '13C/13C HMQC-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5997 1 6 '13C/13C HSQC-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5997 1 7 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5997 1 8 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5997 1 9 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5997 1 10 HN(CA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5997 1 11 HN(COCA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5997 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5997 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name H(C)(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5997 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name (H)C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5997 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N/15N HSQC-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5997 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '13C/15N HMQC-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5997 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '13C/13C HMQC-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5997 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '13C/13C HSQC-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5997 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5997 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5997 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5997 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HN(CA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5997 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HN(COCA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5997 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5997 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5997 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5997 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5997 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5997 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.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 SER CA C 13 56.043 0.000 . 1 . . . . . . . . 5997 1 2 . 1 1 1 1 SER C C 13 182.000 0.000 . 1 . . . . . . . . 5997 1 3 . 1 1 1 1 SER CB C 13 62.303 0.000 . 1 . . . . . . . . 5997 1 4 . 1 1 2 2 GLN H H 1 11.168 0.005 . 1 . . . . . . . . 5997 1 5 . 1 1 2 2 GLN N N 15 125.525 0.040 . 1 . . . . . . . . 5997 1 6 . 1 1 2 2 GLN CA C 13 59.002 0.000 . 1 . . . . . . . . 5997 1 7 . 1 1 2 2 GLN CB C 13 28.233 0.000 . 1 . . . . . . . . 5997 1 8 . 1 1 3 3 TRP H H 1 9.455 0.000 . 1 . . . . . . . . 5997 1 9 . 1 1 3 3 TRP N N 15 119.547 0.000 . 1 . . . . . . . . 5997 1 10 . 1 1 3 3 TRP CA C 13 58.434 0.000 . 1 . . . . . . . . 5997 1 11 . 1 1 3 3 TRP C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 12 . 1 1 4 4 ASN H H 1 7.959 0.001 . 1 . . . . . . . . 5997 1 13 . 1 1 4 4 ASN N N 15 113.269 0.030 . 1 . . . . . . . . 5997 1 14 . 1 1 4 4 ASN CA C 13 55.979 0.000 . 1 . . . . . . . . 5997 1 15 . 1 1 4 4 ASN C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 16 . 1 1 4 4 ASN CB C 13 37.821 0.000 . 1 . . . . . . . . 5997 1 17 . 1 1 5 5 GLN H H 1 7.346 0.006 . 1 . . . . . . . . 5997 1 18 . 1 1 5 5 GLN N N 15 115.326 0.020 . 1 . . . . . . . . 5997 1 19 . 1 1 5 5 GLN CA C 13 58.235 0.000 . 1 . . . . . . . . 5997 1 20 . 1 1 5 5 GLN C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 21 . 1 1 5 5 GLN CB C 13 28.363 0.000 . 1 . . . . . . . . 5997 1 22 . 1 1 6 6 VAL H H 1 8.135 0.000 . 1 . . . . . . . . 5997 1 23 . 1 1 6 6 VAL N N 15 118.709 0.030 . 1 . . . . . . . . 5997 1 24 . 1 1 6 6 VAL CA C 13 65.129 0.000 . 1 . . . . . . . . 5997 1 25 . 1 1 6 6 VAL C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 26 . 1 1 6 6 VAL CB C 13 30.098 0.000 . 1 . . . . . . . . 5997 1 27 . 1 1 7 7 GLN H H 1 7.166 0.000 . 1 . . . . . . . . 5997 1 28 . 1 1 7 7 GLN N N 15 109.212 0.000 . 1 . . . . . . . . 5997 1 29 . 1 1 7 7 GLN CA C 13 57.291 0.000 . 1 . . . . . . . . 5997 1 30 . 1 1 7 7 GLN C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 31 . 1 1 7 7 GLN CB C 13 29.019 0.000 . 1 . . . . . . . . 5997 1 32 . 1 1 8 8 GLN H H 1 7.085 0.004 . 1 . . . . . . . . 5997 1 33 . 1 1 8 8 GLN N N 15 111.440 0.040 . 1 . . . . . . . . 5997 1 34 . 1 1 8 8 GLN CA C 13 54.651 0.000 . 1 . . . . . . . . 5997 1 35 . 1 1 8 8 GLN C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 36 . 1 1 8 8 GLN CB C 13 28.418 0.000 . 1 . . . . . . . . 5997 1 37 . 1 1 9 9 LEU H H 1 7.348 0.000 . 1 . . . . . . . . 5997 1 38 . 1 1 9 9 LEU N N 15 118.052 0.000 . 1 . . . . . . . . 5997 1 39 . 1 1 9 9 LEU CA C 13 54.702 0.000 . 1 . . . . . . . . 5997 1 40 . 1 1 9 9 LEU C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 41 . 1 1 10 10 GLU H H 1 8.537 0.000 . 1 . . . . . . . . 5997 1 42 . 1 1 10 10 GLU N N 15 114.071 0.000 . 1 . . . . . . . . 5997 1 43 . 1 1 10 10 GLU CA C 13 55.888 0.000 . 1 . . . . . . . . 5997 1 44 . 1 1 10 10 GLU C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 45 . 1 1 10 10 GLU CB C 13 29.658 0.000 . 1 . . . . . . . . 5997 1 46 . 1 1 11 11 ILE H H 1 8.737 0.002 . 1 . . . . . . . . 5997 1 47 . 1 1 11 11 ILE N N 15 119.696 0.080 . 1 . . . . . . . . 5997 1 48 . 1 1 11 11 ILE CA C 13 63.196 0.000 . 1 . . . . . . . . 5997 1 49 . 1 1 11 11 ILE C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 50 . 1 1 11 11 ILE CB C 13 37.249 0.000 . 1 . . . . . . . . 5997 1 51 . 1 1 12 12 LYS H H 1 8.460 0.001 . 1 . . . . . . . . 5997 1 52 . 1 1 12 12 LYS N N 15 116.458 0.030 . 1 . . . . . . . . 5997 1 53 . 1 1 12 12 LYS CA C 13 58.595 0.000 . 1 . . . . . . . . 5997 1 54 . 1 1 12 12 LYS C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 55 . 1 1 12 12 LYS CB C 13 30.423 0.000 . 1 . . . . . . . . 5997 1 56 . 1 1 13 13 PHE H H 1 7.407 0.006 . 1 . . . . . . . . 5997 1 57 . 1 1 13 13 PHE N N 15 114.049 0.040 . 1 . . . . . . . . 5997 1 58 . 1 1 13 13 PHE CA C 13 59.547 0.000 . 1 . . . . . . . . 5997 1 59 . 1 1 13 13 PHE C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 60 . 1 1 13 13 PHE CB C 13 39.645 0.000 . 1 . . . . . . . . 5997 1 61 . 1 1 14 14 LEU H H 1 8.325 0.000 . 1 . . . . . . . . 5997 1 62 . 1 1 14 14 LEU N N 15 119.890 0.000 . 1 . . . . . . . . 5997 1 63 . 1 1 14 14 LEU CA C 13 57.743 0.000 . 1 . . . . . . . . 5997 1 64 . 1 1 14 14 LEU C C 13 174.000 0.000 . 1 . . . . . . . . 5997 1 65 . 1 1 15 15 GLU H H 1 8.546 0.001 . 1 . . . . . . . . 5997 1 66 . 1 1 15 15 GLU N N 15 113.379 0.020 . 1 . . . . . . . . 5997 1 67 . 1 1 15 15 GLU CA C 13 58.526 0.000 . 1 . . . . . . . . 5997 1 68 . 1 1 15 15 GLU C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 69 . 1 1 15 15 GLU CB C 13 28.416 0.000 . 1 . . . . . . . . 5997 1 70 . 1 1 16 16 GLN H H 1 7.225 0.004 . 1 . . . . . . . . 5997 1 71 . 1 1 16 16 GLN N N 15 115.067 0.020 . 1 . . . . . . . . 5997 1 72 . 1 1 16 16 GLN CA C 13 58.474 0.000 . 1 . . . . . . . . 5997 1 73 . 1 1 16 16 GLN CB C 13 28.043 0.000 . 1 . . . . . . . . 5997 1 74 . 1 1 17 17 VAL H H 1 7.789 0.000 . 1 . . . . . . . . 5997 1 75 . 1 1 17 17 VAL N N 15 117.270 0.000 . 1 . . . . . . . . 5997 1 76 . 1 1 17 17 VAL CA C 13 58.434 0.000 . 1 . . . . . . . . 5997 1 77 . 1 1 18 18 ASP H H 1 8.196 0.001 . 1 . . . . . . . . 5997 1 78 . 1 1 18 18 ASP N N 15 114.985 0.160 . 1 . . . . . . . . 5997 1 79 . 1 1 18 18 ASP CA C 13 57.855 0.000 . 1 . . . . . . . . 5997 1 80 . 1 1 18 18 ASP C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 81 . 1 1 18 18 ASP CB C 13 41.814 0.000 . 1 . . . . . . . . 5997 1 82 . 1 1 19 19 GLN H H 1 7.692 0.006 . 1 . . . . . . . . 5997 1 83 . 1 1 19 19 GLN N N 15 110.963 0.020 . 1 . . . . . . . . 5997 1 84 . 1 1 19 19 GLN CA C 13 57.165 0.000 . 1 . . . . . . . . 5997 1 85 . 1 1 19 19 GLN C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 86 . 1 1 19 19 GLN CB C 13 27.995 0.000 . 1 . . . . . . . . 5997 1 87 . 1 1 20 20 PHE H H 1 7.815 0.002 . 1 . . . . . . . . 5997 1 88 . 1 1 20 20 PHE N N 15 115.233 0.030 . 1 . . . . . . . . 5997 1 89 . 1 1 20 20 PHE CA C 13 59.235 0.000 . 1 . . . . . . . . 5997 1 90 . 1 1 20 20 PHE C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 91 . 1 1 20 20 PHE CB C 13 38.249 0.000 . 1 . . . . . . . . 5997 1 92 . 1 1 21 21 TYR H H 1 7.665 0.012 . 1 . . . . . . . . 5997 1 93 . 1 1 21 21 TYR N N 15 115.501 0.000 . 1 . . . . . . . . 5997 1 94 . 1 1 21 21 TYR CA C 13 60.636 0.000 . 1 . . . . . . . . 5997 1 95 . 1 1 21 21 TYR C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 96 . 1 1 21 21 TYR CB C 13 38.310 0.000 . 1 . . . . . . . . 5997 1 97 . 1 1 22 22 ASP H H 1 8.392 0.004 . 1 . . . . . . . . 5997 1 98 . 1 1 22 22 ASP N N 15 121.346 0.030 . 1 . . . . . . . . 5997 1 99 . 1 1 22 22 ASP CA C 13 53.887 0.000 . 1 . . . . . . . . 5997 1 100 . 1 1 22 22 ASP C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 101 . 1 1 22 22 ASP CB C 13 40.345 0.000 . 1 . . . . . . . . 5997 1 102 . 1 1 23 23 ASP H H 1 8.133 0.007 . 1 . . . . . . . . 5997 1 103 . 1 1 23 23 ASP N N 15 114.227 0.020 . 1 . . . . . . . . 5997 1 104 . 1 1 23 23 ASP CA C 13 55.287 0.000 . 1 . . . . . . . . 5997 1 105 . 1 1 23 23 ASP C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 106 . 1 1 23 23 ASP CB C 13 40.161 0.000 . 1 . . . . . . . . 5997 1 107 . 1 1 24 24 ASN H H 1 8.333 0.008 . 1 . . . . . . . . 5997 1 108 . 1 1 24 24 ASN N N 15 113.869 0.030 . 1 . . . . . . . . 5997 1 109 . 1 1 24 24 ASN CA C 13 55.340 0.000 . 1 . . . . . . . . 5997 1 110 . 1 1 24 24 ASN C C 13 180.000 0.000 . 1 . . . . . . . . 5997 1 111 . 1 1 24 24 ASN CB C 13 39.906 0.000 . 1 . . . . . . . . 5997 1 112 . 1 1 25 25 PHE H H 1 7.862 0.000 . 1 . . . . . . . . 5997 1 113 . 1 1 25 25 PHE N N 15 113.755 0.000 . 1 . . . . . . . . 5997 1 114 . 1 1 27 27 MET H H 1 8.852 0.004 . 1 . . . . . . . . 5997 1 115 . 1 1 27 27 MET N N 15 124.429 0.170 . 1 . . . . . . . . 5997 1 116 . 1 1 27 27 MET CA C 13 58.031 0.000 . 1 . . . . . . . . 5997 1 117 . 1 1 27 27 MET C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 118 . 1 1 27 27 MET CB C 13 32.231 0.000 . 1 . . . . . . . . 5997 1 119 . 1 1 28 28 GLU H H 1 10.330 0.006 . 1 . . . . . . . . 5997 1 120 . 1 1 28 28 GLU N N 15 114.864 0.020 . 1 . . . . . . . . 5997 1 121 . 1 1 28 28 GLU CA C 13 61.061 0.000 . 1 . . . . . . . . 5997 1 122 . 1 1 28 28 GLU C C 13 173.000 0.000 . 1 . . . . . . . . 5997 1 123 . 1 1 28 28 GLU CB C 13 29.220 0.000 . 1 . . . . . . . . 5997 1 124 . 1 1 29 29 ILE H H 1 7.068 0.007 . 1 . . . . . . . . 5997 1 125 . 1 1 29 29 ILE N N 15 111.177 0.140 . 1 . . . . . . . . 5997 1 126 . 1 1 29 29 ILE CA C 13 62.397 0.000 . 1 . . . . . . . . 5997 1 127 . 1 1 29 29 ILE C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 128 . 1 1 29 29 ILE CB C 13 35.599 0.000 . 1 . . . . . . . . 5997 1 129 . 1 1 30 30 ARG H H 1 6.401 0.000 . 1 . . . . . . . . 5997 1 130 . 1 1 30 30 ARG N N 15 116.860 0.000 . 1 . . . . . . . . 5997 1 131 . 1 1 30 30 ARG CA C 13 57.275 0.000 . 1 . . . . . . . . 5997 1 132 . 1 1 30 30 ARG C C 13 179.000 0.000 . 1 . . . . . . . . 5997 1 133 . 1 1 31 31 HIS H H 1 7.010 0.000 . 1 . . . . . . . . 5997 1 134 . 1 1 31 31 HIS N N 15 109.860 0.000 . 1 . . . . . . . . 5997 1 135 . 1 1 31 31 HIS CA C 13 57.738 0.000 . 1 . . . . . . . . 5997 1 136 . 1 1 31 31 HIS C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 137 . 1 1 32 32 LEU H H 1 8.080 0.004 . 1 . . . . . . . . 5997 1 138 . 1 1 32 32 LEU N N 15 115.370 0.000 . 1 . . . . . . . . 5997 1 139 . 1 1 32 32 LEU CA C 13 57.076 0.000 . 1 . . . . . . . . 5997 1 140 . 1 1 32 32 LEU C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 141 . 1 1 32 32 LEU CB C 13 41.774 0.000 . 1 . . . . . . . . 5997 1 142 . 1 1 33 33 LEU H H 1 7.637 0.004 . 1 . . . . . . . . 5997 1 143 . 1 1 33 33 LEU N N 15 112.210 0.010 . 1 . . . . . . . . 5997 1 144 . 1 1 33 33 LEU CA C 13 51.979 0.000 . 1 . . . . . . . . 5997 1 145 . 1 1 33 33 LEU C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 146 . 1 1 33 33 LEU CB C 13 39.718 0.000 . 1 . . . . . . . . 5997 1 147 . 1 1 34 34 ALA H H 1 6.569 0.005 . 1 . . . . . . . . 5997 1 148 . 1 1 34 34 ALA N N 15 118.489 0.020 . 1 . . . . . . . . 5997 1 149 . 1 1 34 34 ALA CA C 13 57.192 0.000 . 1 . . . . . . . . 5997 1 150 . 1 1 34 34 ALA C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 151 . 1 1 34 34 ALA CB C 13 18.093 0.000 . 1 . . . . . . . . 5997 1 152 . 1 1 35 35 GLN H H 1 8.381 0.002 . 1 . . . . . . . . 5997 1 153 . 1 1 35 35 GLN N N 15 111.647 0.000 . 1 . . . . . . . . 5997 1 154 . 1 1 35 35 GLN CA C 13 58.491 0.000 . 1 . . . . . . . . 5997 1 155 . 1 1 35 35 GLN C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 156 . 1 1 35 35 GLN CB C 13 27.805 0.000 . 1 . . . . . . . . 5997 1 157 . 1 1 36 36 TRP H H 1 8.349 0.000 . 1 . . . . . . . . 5997 1 158 . 1 1 36 36 TRP N N 15 117.465 0.140 . 1 . . . . . . . . 5997 1 159 . 1 1 36 36 TRP CA C 13 62.606 0.000 . 1 . . . . . . . . 5997 1 160 . 1 1 36 36 TRP C C 13 174.000 0.000 . 1 . . . . . . . . 5997 1 161 . 1 1 36 36 TRP CB C 13 28.205 0.000 . 1 . . . . . . . . 5997 1 162 . 1 1 37 37 ILE H H 1 9.419 0.003 . 1 . . . . . . . . 5997 1 163 . 1 1 37 37 ILE N N 15 115.800 0.020 . 1 . . . . . . . . 5997 1 164 . 1 1 37 37 ILE CA C 13 65.094 0.000 . 1 . . . . . . . . 5997 1 165 . 1 1 37 37 ILE C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 166 . 1 1 37 37 ILE CB C 13 37.086 0.000 . 1 . . . . . . . . 5997 1 167 . 1 1 38 38 GLU H H 1 8.064 0.006 . 1 . . . . . . . . 5997 1 168 . 1 1 38 38 GLU N N 15 114.201 0.050 . 1 . . . . . . . . 5997 1 169 . 1 1 38 38 GLU CA C 13 57.882 0.000 . 1 . . . . . . . . 5997 1 170 . 1 1 38 38 GLU C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 171 . 1 1 38 38 GLU CB C 13 28.495 0.000 . 1 . . . . . . . . 5997 1 172 . 1 1 39 39 ASN H H 1 7.364 0.004 . 1 . . . . . . . . 5997 1 173 . 1 1 39 39 ASN N N 15 113.437 0.030 . 1 . . . . . . . . 5997 1 174 . 1 1 39 39 ASN CA C 13 52.619 0.000 . 1 . . . . . . . . 5997 1 175 . 1 1 39 39 ASN C C 13 179.000 0.000 . 1 . . . . . . . . 5997 1 176 . 1 1 39 39 ASN CB C 13 39.187 0.000 . 1 . . . . . . . . 5997 1 177 . 1 1 40 40 GLN H H 1 6.859 0.004 . 1 . . . . . . . . 5997 1 178 . 1 1 40 40 GLN N N 15 112.444 0.020 . 1 . . . . . . . . 5997 1 179 . 1 1 40 40 GLN CA C 13 51.487 0.000 . 1 . . . . . . . . 5997 1 180 . 1 1 40 40 GLN C C 13 179.000 0.000 . 1 . . . . . . . . 5997 1 181 . 1 1 40 40 GLN CB C 13 26.470 0.000 . 1 . . . . . . . . 5997 1 182 . 1 1 41 41 ASP H H 1 8.078 0.003 . 1 . . . . . . . . 5997 1 183 . 1 1 41 41 ASP N N 15 118.003 0.120 . 1 . . . . . . . . 5997 1 184 . 1 1 41 41 ASP CA C 13 50.714 0.000 . 1 . . . . . . . . 5997 1 185 . 1 1 41 41 ASP C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 186 . 1 1 41 41 ASP CB C 13 37.989 0.000 . 1 . . . . . . . . 5997 1 187 . 1 1 42 42 TRP H H 1 7.331 0.006 . 1 . . . . . . . . 5997 1 188 . 1 1 42 42 TRP N N 15 120.858 0.030 . 1 . . . . . . . . 5997 1 189 . 1 1 42 42 TRP CA C 13 58.648 0.000 . 1 . . . . . . . . 5997 1 190 . 1 1 42 42 TRP C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 191 . 1 1 42 42 TRP CB C 13 28.288 0.000 . 1 . . . . . . . . 5997 1 192 . 1 1 43 43 GLU H H 1 8.380 0.000 . 1 . . . . . . . . 5997 1 193 . 1 1 43 43 GLU N N 15 116.870 0.000 . 1 . . . . . . . . 5997 1 194 . 1 1 43 43 GLU C C 13 174.000 0.000 . 1 . . . . . . . . 5997 1 195 . 1 1 43 43 GLU CB C 13 27.788 0.000 . 1 . . . . . . . . 5997 1 196 . 1 1 44 44 ALA H H 1 7.815 0.004 . 1 . . . . . . . . 5997 1 197 . 1 1 44 44 ALA N N 15 120.732 0.030 . 1 . . . . . . . . 5997 1 198 . 1 1 44 44 ALA CA C 13 53.988 0.000 . 1 . . . . . . . . 5997 1 199 . 1 1 44 44 ALA C C 13 173.000 0.000 . 1 . . . . . . . . 5997 1 200 . 1 1 44 44 ALA CB C 13 17.603 0.000 . 1 . . . . . . . . 5997 1 201 . 1 1 45 45 ALA H H 1 7.676 0.000 . 1 . . . . . . . . 5997 1 202 . 1 1 45 45 ALA N N 15 116.927 0.000 . 1 . . . . . . . . 5997 1 203 . 1 1 45 45 ALA CA C 13 53.882 0.000 . 1 . . . . . . . . 5997 1 204 . 1 1 45 45 ALA C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 205 . 1 1 46 46 SER H H 1 7.717 0.004 . 1 . . . . . . . . 5997 1 206 . 1 1 46 46 SER N N 15 109.060 0.000 . 1 . . . . . . . . 5997 1 207 . 1 1 46 46 SER CA C 13 61.110 0.000 . 1 . . . . . . . . 5997 1 208 . 1 1 46 46 SER C C 13 182.000 0.000 . 1 . . . . . . . . 5997 1 209 . 1 1 46 46 SER CB C 13 62.806 0.000 . 1 . . . . . . . . 5997 1 210 . 1 1 47 47 ASN H H 1 7.132 0.006 . 1 . . . . . . . . 5997 1 211 . 1 1 47 47 ASN N N 15 111.708 0.000 . 1 . . . . . . . . 5997 1 212 . 1 1 47 47 ASN CA C 13 52.144 0.000 . 1 . . . . . . . . 5997 1 213 . 1 1 47 47 ASN C C 13 180.000 0.000 . 1 . . . . . . . . 5997 1 214 . 1 1 47 47 ASN CB C 13 40.559 0.000 . 1 . . . . . . . . 5997 1 215 . 1 1 48 48 ASN H H 1 7.333 0.004 . 1 . . . . . . . . 5997 1 216 . 1 1 48 48 ASN N N 15 116.644 0.020 . 1 . . . . . . . . 5997 1 217 . 1 1 48 48 ASN CA C 13 52.392 0.000 . 1 . . . . . . . . 5997 1 218 . 1 1 48 48 ASN C C 13 181.000 0.000 . 1 . . . . . . . . 5997 1 219 . 1 1 48 48 ASN CB C 13 40.021 0.000 . 1 . . . . . . . . 5997 1 220 . 1 1 49 49 GLU H H 1 9.215 0.003 . 1 . . . . . . . . 5997 1 221 . 1 1 49 49 GLU N N 15 125.433 0.060 . 1 . . . . . . . . 5997 1 222 . 1 1 49 49 GLU CA C 13 60.055 0.000 . 1 . . . . . . . . 5997 1 223 . 1 1 49 49 GLU CB C 13 29.010 0.000 . 1 . . . . . . . . 5997 1 224 . 1 1 50 50 THR H H 1 8.402 0.001 . 1 . . . . . . . . 5997 1 225 . 1 1 50 50 THR N N 15 116.019 0.040 . 1 . . . . . . . . 5997 1 226 . 1 1 50 50 THR CA C 13 66.310 0.000 . 1 . . . . . . . . 5997 1 227 . 1 1 50 50 THR C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 228 . 1 1 50 50 THR CB C 13 67.858 0.000 . 1 . . . . . . . . 5997 1 229 . 1 1 51 51 MET H H 1 7.884 0.004 . 1 . . . . . . . . 5997 1 230 . 1 1 51 51 MET N N 15 118.694 0.040 . 1 . . . . . . . . 5997 1 231 . 1 1 51 51 MET CA C 13 58.027 0.000 . 1 . . . . . . . . 5997 1 232 . 1 1 51 51 MET C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 233 . 1 1 51 51 MET CB C 13 32.167 0.000 . 1 . . . . . . . . 5997 1 234 . 1 1 52 52 ALA H H 1 8.850 0.002 . 1 . . . . . . . . 5997 1 235 . 1 1 52 52 ALA N N 15 117.310 0.020 . 1 . . . . . . . . 5997 1 236 . 1 1 52 52 ALA CA C 13 55.519 0.000 . 1 . . . . . . . . 5997 1 237 . 1 1 52 52 ALA C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 238 . 1 1 52 52 ALA CB C 13 16.349 0.000 . 1 . . . . . . . . 5997 1 239 . 1 1 53 53 THR H H 1 8.289 0.003 . 1 . . . . . . . . 5997 1 240 . 1 1 53 53 THR N N 15 112.038 0.030 . 1 . . . . . . . . 5997 1 241 . 1 1 53 53 THR CA C 13 67.148 0.000 . 1 . . . . . . . . 5997 1 242 . 1 1 53 53 THR C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 243 . 1 1 53 53 THR CB C 13 68.404 0.000 . 1 . . . . . . . . 5997 1 244 . 1 1 54 54 ILE H H 1 7.672 0.006 . 1 . . . . . . . . 5997 1 245 . 1 1 54 54 ILE N N 15 120.209 0.000 . 1 . . . . . . . . 5997 1 246 . 1 1 54 54 ILE CA C 13 64.187 0.000 . 1 . . . . . . . . 5997 1 247 . 1 1 54 54 ILE CB C 13 37.374 0.000 . 1 . . . . . . . . 5997 1 248 . 1 1 55 55 LEU H H 1 8.390 0.000 . 1 . . . . . . . . 5997 1 249 . 1 1 55 55 LEU N N 15 117.130 0.000 . 1 . . . . . . . . 5997 1 250 . 1 1 55 55 LEU CA C 13 58.062 0.000 . 1 . . . . . . . . 5997 1 251 . 1 1 55 55 LEU C C 13 174.000 0.000 . 1 . . . . . . . . 5997 1 252 . 1 1 55 55 LEU CB C 13 40.685 0.000 . 1 . . . . . . . . 5997 1 253 . 1 1 56 56 LEU H H 1 8.390 0.000 . 1 . . . . . . . . 5997 1 254 . 1 1 56 56 LEU N N 15 116.620 0.000 . 1 . . . . . . . . 5997 1 255 . 1 1 56 56 LEU CA C 13 58.091 0.000 . 1 . . . . . . . . 5997 1 256 . 1 1 57 57 GLN H H 1 8.207 0.005 . 1 . . . . . . . . 5997 1 257 . 1 1 57 57 GLN N N 15 116.140 0.030 . 1 . . . . . . . . 5997 1 258 . 1 1 57 57 GLN CA C 13 58.577 0.000 . 1 . . . . . . . . 5997 1 259 . 1 1 57 57 GLN C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 260 . 1 1 57 57 GLN CB C 13 27.328 0.000 . 1 . . . . . . . . 5997 1 261 . 1 1 58 58 ASN H H 1 8.506 0.000 . 1 . . . . . . . . 5997 1 262 . 1 1 58 58 ASN N N 15 116.031 0.000 . 1 . . . . . . . . 5997 1 263 . 1 1 58 58 ASN C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 264 . 1 1 59 59 LEU H H 1 8.851 0.000 . 1 . . . . . . . . 5997 1 265 . 1 1 59 59 LEU N N 15 123.159 0.000 . 1 . . . . . . . . 5997 1 266 . 1 1 59 59 LEU CA C 13 58.923 0.000 . 1 . . . . . . . . 5997 1 267 . 1 1 59 59 LEU C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 268 . 1 1 59 59 LEU CB C 13 41.009 0.000 . 1 . . . . . . . . 5997 1 269 . 1 1 60 60 LEU H H 1 8.017 0.001 . 1 . . . . . . . . 5997 1 270 . 1 1 60 60 LEU N N 15 116.509 0.050 . 1 . . . . . . . . 5997 1 271 . 1 1 60 60 LEU CA C 13 57.818 0.000 . 1 . . . . . . . . 5997 1 272 . 1 1 60 60 LEU C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 273 . 1 1 60 60 LEU CB C 13 39.709 0.000 . 1 . . . . . . . . 5997 1 274 . 1 1 61 61 ILE H H 1 7.750 0.000 . 1 . . . . . . . . 5997 1 275 . 1 1 61 61 ILE N N 15 118.300 0.000 . 1 . . . . . . . . 5997 1 276 . 1 1 61 61 ILE C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 277 . 1 1 62 62 GLN H H 1 7.892 0.000 . 1 . . . . . . . . 5997 1 278 . 1 1 62 62 GLN N N 15 116.369 0.000 . 1 . . . . . . . . 5997 1 279 . 1 1 62 62 GLN C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 280 . 1 1 63 63 LEU H H 1 8.560 0.004 . 1 . . . . . . . . 5997 1 281 . 1 1 63 63 LEU N N 15 119.001 0.020 . 1 . . . . . . . . 5997 1 282 . 1 1 63 63 LEU CA C 13 58.101 0.000 . 1 . . . . . . . . 5997 1 283 . 1 1 63 63 LEU C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 284 . 1 1 63 63 LEU CB C 13 40.555 0.000 . 1 . . . . . . . . 5997 1 285 . 1 1 64 64 ASP H H 1 8.344 0.001 . 1 . . . . . . . . 5997 1 286 . 1 1 64 64 ASP N N 15 118.126 0.010 . 1 . . . . . . . . 5997 1 287 . 1 1 64 64 ASP CA C 13 57.228 0.000 . 1 . . . . . . . . 5997 1 288 . 1 1 64 64 ASP C C 13 174.000 0.000 . 1 . . . . . . . . 5997 1 289 . 1 1 64 64 ASP CB C 13 38.944 0.000 . 1 . . . . . . . . 5997 1 290 . 1 1 65 65 GLU H H 1 8.117 0.000 . 1 . . . . . . . . 5997 1 291 . 1 1 65 65 GLU N N 15 119.163 0.000 . 1 . . . . . . . . 5997 1 292 . 1 1 65 65 GLU CA C 13 58.811 0.000 . 1 . . . . . . . . 5997 1 293 . 1 1 66 66 GLN H H 1 8.093 0.009 . 1 . . . . . . . . 5997 1 294 . 1 1 66 66 GLN N N 15 116.571 0.000 . 1 . . . . . . . . 5997 1 295 . 1 1 66 66 GLN CA C 13 57.724 0.000 . 1 . . . . . . . . 5997 1 296 . 1 1 66 66 GLN C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 297 . 1 1 66 66 GLN CB C 13 26.725 0.000 . 1 . . . . . . . . 5997 1 298 . 1 1 67 67 LEU H H 1 8.737 0.004 . 1 . . . . . . . . 5997 1 299 . 1 1 67 67 LEU N N 15 118.598 0.030 . 1 . . . . . . . . 5997 1 300 . 1 1 67 67 LEU CA C 13 57.435 0.000 . 1 . . . . . . . . 5997 1 301 . 1 1 67 67 LEU C C 13 174.000 0.000 . 1 . . . . . . . . 5997 1 302 . 1 1 67 67 LEU CB C 13 40.405 0.000 . 1 . . . . . . . . 5997 1 303 . 1 1 68 68 GLY H H 1 8.098 0.000 . 1 . . . . . . . . 5997 1 304 . 1 1 68 68 GLY N N 15 105.376 0.000 . 1 . . . . . . . . 5997 1 305 . 1 1 68 68 GLY CA C 13 46.537 0.000 . 1 . . . . . . . . 5997 1 306 . 1 1 68 68 GLY C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 307 . 1 1 69 69 ARG H H 1 7.642 0.000 . 1 . . . . . . . . 5997 1 308 . 1 1 69 69 ARG N N 15 119.377 0.000 . 1 . . . . . . . . 5997 1 309 . 1 1 69 69 ARG CA C 13 58.660 0.000 . 1 . . . . . . . . 5997 1 310 . 1 1 70 70 VAL H H 1 8.383 0.000 . 1 . . . . . . . . 5997 1 311 . 1 1 70 70 VAL N N 15 112.055 0.000 . 1 . . . . . . . . 5997 1 312 . 1 1 71 71 SER H H 1 8.050 0.000 . 1 . . . . . . . . 5997 1 313 . 1 1 71 71 SER N N 15 115.360 0.000 . 1 . . . . . . . . 5997 1 314 . 1 1 71 71 SER C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 315 . 1 1 72 72 LYS H H 1 7.790 0.000 . 1 . . . . . . . . 5997 1 316 . 1 1 72 72 LYS N N 15 121.050 0.000 . 1 . . . . . . . . 5997 1 317 . 1 1 72 72 LYS CA C 13 58.298 0.000 . 1 . . . . . . . . 5997 1 318 . 1 1 72 72 LYS C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 319 . 1 1 73 73 GLU H H 1 7.741 0.002 . 1 . . . . . . . . 5997 1 320 . 1 1 73 73 GLU N N 15 113.765 0.030 . 1 . . . . . . . . 5997 1 321 . 1 1 73 73 GLU CA C 13 56.263 0.000 . 1 . . . . . . . . 5997 1 322 . 1 1 73 73 GLU C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 323 . 1 1 73 73 GLU CB C 13 28.917 0.000 . 1 . . . . . . . . 5997 1 324 . 1 1 74 74 LYS H H 1 7.838 0.000 . 1 . . . . . . . . 5997 1 325 . 1 1 74 74 LYS N N 15 113.550 0.000 . 1 . . . . . . . . 5997 1 326 . 1 1 74 74 LYS C C 13 179.000 0.000 . 1 . . . . . . . . 5997 1 327 . 1 1 74 74 LYS CB C 13 28.759 0.000 . 1 . . . . . . . . 5997 1 328 . 1 1 75 75 ASN H H 1 7.626 0.003 . 1 . . . . . . . . 5997 1 329 . 1 1 75 75 ASN N N 15 114.283 0.030 . 1 . . . . . . . . 5997 1 330 . 1 1 75 75 ASN CA C 13 51.333 0.000 . 1 . . . . . . . . 5997 1 331 . 1 1 75 75 ASN C C 13 180.000 0.000 . 1 . . . . . . . . 5997 1 332 . 1 1 75 75 ASN CB C 13 37.273 0.000 . 1 . . . . . . . . 5997 1 333 . 1 1 76 76 LEU H H 1 8.082 0.004 . 1 . . . . . . . . 5997 1 334 . 1 1 76 76 LEU N N 15 122.245 0.030 . 1 . . . . . . . . 5997 1 335 . 1 1 76 76 LEU CA C 13 58.227 0.000 . 1 . . . . . . . . 5997 1 336 . 1 1 76 76 LEU CB C 13 40.892 0.000 . 1 . . . . . . . . 5997 1 337 . 1 1 77 77 LEU H H 1 8.226 0.001 . 1 . . . . . . . . 5997 1 338 . 1 1 77 77 LEU N N 15 114.988 0.050 . 1 . . . . . . . . 5997 1 339 . 1 1 77 77 LEU CA C 13 57.315 0.000 . 1 . . . . . . . . 5997 1 340 . 1 1 77 77 LEU C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 341 . 1 1 77 77 LEU CB C 13 40.208 0.000 . 1 . . . . . . . . 5997 1 342 . 1 1 78 78 LEU H H 1 7.298 0.000 . 1 . . . . . . . . 5997 1 343 . 1 1 78 78 LEU N N 15 115.398 0.060 . 1 . . . . . . . . 5997 1 344 . 1 1 78 78 LEU CA C 13 56.971 0.000 . 1 . . . . . . . . 5997 1 345 . 1 1 78 78 LEU CB C 13 40.804 0.000 . 1 . . . . . . . . 5997 1 346 . 1 1 79 79 ILE H H 1 8.422 0.000 . 1 . . . . . . . . 5997 1 347 . 1 1 79 79 ILE N N 15 117.724 0.000 . 1 . . . . . . . . 5997 1 348 . 1 1 79 79 ILE CA C 13 65.362 0.000 . 1 . . . . . . . . 5997 1 349 . 1 1 79 79 ILE C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 350 . 1 1 80 80 HIS H H 1 8.397 0.007 . 1 . . . . . . . . 5997 1 351 . 1 1 80 80 HIS N N 15 113.459 0.060 . 1 . . . . . . . . 5997 1 352 . 1 1 80 80 HIS CA C 13 58.582 0.000 . 1 . . . . . . . . 5997 1 353 . 1 1 80 80 HIS C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 354 . 1 1 80 80 HIS CB C 13 28.727 0.000 . 1 . . . . . . . . 5997 1 355 . 1 1 81 81 ASN H H 1 8.490 0.004 . 1 . . . . . . . . 5997 1 356 . 1 1 81 81 ASN N N 15 114.253 0.000 . 1 . . . . . . . . 5997 1 357 . 1 1 81 81 ASN CA C 13 55.413 0.000 . 1 . . . . . . . . 5997 1 358 . 1 1 81 81 ASN C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 359 . 1 1 81 81 ASN CB C 13 37.520 0.000 . 1 . . . . . . . . 5997 1 360 . 1 1 82 82 LEU H H 1 8.906 0.007 . 1 . . . . . . . . 5997 1 361 . 1 1 82 82 LEU N N 15 117.278 0.020 . 1 . . . . . . . . 5997 1 362 . 1 1 82 82 LEU CA C 13 57.668 0.000 . 1 . . . . . . . . 5997 1 363 . 1 1 82 82 LEU C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 364 . 1 1 82 82 LEU CB C 13 40.559 0.000 . 1 . . . . . . . . 5997 1 365 . 1 1 83 83 LYS H H 1 8.184 0.005 . 1 . . . . . . . . 5997 1 366 . 1 1 83 83 LYS N N 15 115.623 0.010 . 1 . . . . . . . . 5997 1 367 . 1 1 83 83 LYS CA C 13 60.177 0.000 . 1 . . . . . . . . 5997 1 368 . 1 1 83 83 LYS C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 369 . 1 1 83 83 LYS CB C 13 31.393 0.000 . 1 . . . . . . . . 5997 1 370 . 1 1 84 84 ARG H H 1 7.228 0.000 . 1 . . . . . . . . 5997 1 371 . 1 1 84 84 ARG N N 15 116.707 0.060 . 1 . . . . . . . . 5997 1 372 . 1 1 84 84 ARG CA C 13 58.717 0.000 . 1 . . . . . . . . 5997 1 373 . 1 1 84 84 ARG CB C 13 28.820 0.000 . 1 . . . . . . . . 5997 1 374 . 1 1 85 85 ILE H H 1 8.220 0.004 . 1 . . . . . . . . 5997 1 375 . 1 1 85 85 ILE N N 15 115.900 0.080 . 1 . . . . . . . . 5997 1 376 . 1 1 85 85 ILE CA C 13 63.890 0.000 . 1 . . . . . . . . 5997 1 377 . 1 1 85 85 ILE C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 378 . 1 1 85 85 ILE CB C 13 37.111 0.000 . 1 . . . . . . . . 5997 1 379 . 1 1 86 86 ARG H H 1 8.373 0.000 . 1 . . . . . . . . 5997 1 380 . 1 1 86 86 ARG N N 15 118.027 0.000 . 1 . . . . . . . . 5997 1 381 . 1 1 86 86 ARG CA C 13 59.327 0.000 . 1 . . . . . . . . 5997 1 382 . 1 1 86 86 ARG C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 383 . 1 1 87 87 LYS H H 1 7.231 0.000 . 1 . . . . . . . . 5997 1 384 . 1 1 87 87 LYS N N 15 114.527 0.000 . 1 . . . . . . . . 5997 1 385 . 1 1 87 87 LYS CA C 13 59.398 0.000 . 1 . . . . . . . . 5997 1 386 . 1 1 87 87 LYS C C 13 174.000 0.000 . 1 . . . . . . . . 5997 1 387 . 1 1 87 87 LYS CB C 13 31.390 0.000 . 1 . . . . . . . . 5997 1 388 . 1 1 88 88 VAL H H 1 7.772 0.001 . 1 . . . . . . . . 5997 1 389 . 1 1 88 88 VAL N N 15 117.052 0.030 . 1 . . . . . . . . 5997 1 390 . 1 1 88 88 VAL CA C 13 65.120 0.000 . 1 . . . . . . . . 5997 1 391 . 1 1 88 88 VAL CB C 13 30.956 0.000 . 1 . . . . . . . . 5997 1 392 . 1 1 89 89 LEU H H 1 8.390 0.000 . 1 . . . . . . . . 5997 1 393 . 1 1 89 89 LEU N N 15 117.070 0.000 . 1 . . . . . . . . 5997 1 394 . 1 1 89 89 LEU C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 395 . 1 1 90 90 GLN H H 1 8.130 0.004 . 1 . . . . . . . . 5997 1 396 . 1 1 90 90 GLN N N 15 114.030 0.010 . 1 . . . . . . . . 5997 1 397 . 1 1 90 90 GLN CA C 13 58.576 0.000 . 1 . . . . . . . . 5997 1 398 . 1 1 90 90 GLN C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 399 . 1 1 90 90 GLN CB C 13 27.563 0.000 . 1 . . . . . . . . 5997 1 400 . 1 1 91 91 GLY H H 1 7.859 0.000 . 1 . . . . . . . . 5997 1 401 . 1 1 91 91 GLY N N 15 102.789 0.000 . 1 . . . . . . . . 5997 1 402 . 1 1 91 91 GLY CA C 13 46.193 0.000 . 1 . . . . . . . . 5997 1 403 . 1 1 91 91 GLY C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 404 . 1 1 92 92 LYS H H 1 8.074 0.000 . 1 . . . . . . . . 5997 1 405 . 1 1 92 92 LYS N N 15 118.296 0.000 . 1 . . . . . . . . 5997 1 406 . 1 1 92 92 LYS CA C 13 57.575 0.000 . 1 . . . . . . . . 5997 1 407 . 1 1 92 92 LYS C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 408 . 1 1 93 93 PHE H H 1 8.290 0.002 . 1 . . . . . . . . 5997 1 409 . 1 1 93 93 PHE N N 15 113.559 0.150 . 1 . . . . . . . . 5997 1 410 . 1 1 93 93 PHE CA C 13 57.434 0.000 . 1 . . . . . . . . 5997 1 411 . 1 1 93 93 PHE C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 412 . 1 1 93 93 PHE CB C 13 37.724 0.000 . 1 . . . . . . . . 5997 1 413 . 1 1 94 94 HIS H H 1 7.854 0.002 . 1 . . . . . . . . 5997 1 414 . 1 1 94 94 HIS N N 15 113.409 0.040 . 1 . . . . . . . . 5997 1 415 . 1 1 94 94 HIS CA C 13 56.913 0.000 . 1 . . . . . . . . 5997 1 416 . 1 1 94 94 HIS C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 417 . 1 1 94 94 HIS CB C 13 27.750 0.000 . 1 . . . . . . . . 5997 1 418 . 1 1 95 95 GLY H H 1 8.196 0.000 . 1 . . . . . . . . 5997 1 419 . 1 1 95 95 GLY N N 15 104.540 0.000 . 1 . . . . . . . . 5997 1 420 . 1 1 95 95 GLY CA C 13 45.368 0.000 . 1 . . . . . . . . 5997 1 421 . 1 1 95 95 GLY C C 13 180.000 0.000 . 1 . . . . . . . . 5997 1 422 . 1 1 96 96 ASN H H 1 7.914 0.005 . 1 . . . . . . . . 5997 1 423 . 1 1 96 96 ASN N N 15 113.866 0.020 . 1 . . . . . . . . 5997 1 424 . 1 1 96 96 ASN CA C 13 51.151 0.000 . 1 . . . . . . . . 5997 1 425 . 1 1 96 96 ASN CB C 13 37.823 0.000 . 1 . . . . . . . . 5997 1 426 . 1 1 97 97 PRO C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 427 . 1 1 98 98 MET H H 1 8.785 0.000 . 1 . . . . . . . . 5997 1 428 . 1 1 98 98 MET N N 15 114.921 0.000 . 1 . . . . . . . . 5997 1 429 . 1 1 98 98 MET CA C 13 59.614 0.000 . 1 . . . . . . . . 5997 1 430 . 1 1 99 99 HIS H H 1 7.639 0.003 . 1 . . . . . . . . 5997 1 431 . 1 1 99 99 HIS N N 15 112.590 0.020 . 1 . . . . . . . . 5997 1 432 . 1 1 99 99 HIS CA C 13 57.761 0.000 . 1 . . . . . . . . 5997 1 433 . 1 1 99 99 HIS C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 434 . 1 1 99 99 HIS CB C 13 28.066 0.000 . 1 . . . . . . . . 5997 1 435 . 1 1 100 100 VAL H H 1 7.345 0.001 . 1 . . . . . . . . 5997 1 436 . 1 1 100 100 VAL N N 15 115.542 0.060 . 1 . . . . . . . . 5997 1 437 . 1 1 100 100 VAL CA C 13 65.538 0.000 . 1 . . . . . . . . 5997 1 438 . 1 1 100 100 VAL C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 439 . 1 1 100 100 VAL CB C 13 29.966 0.000 . 1 . . . . . . . . 5997 1 440 . 1 1 101 101 ALA H H 1 7.308 0.000 . 1 . . . . . . . . 5997 1 441 . 1 1 101 101 ALA N N 15 117.742 0.000 . 1 . . . . . . . . 5997 1 442 . 1 1 101 101 ALA CA C 13 65.516 0.000 . 1 . . . . . . . . 5997 1 443 . 1 1 101 101 ALA C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 444 . 1 1 101 101 ALA CB C 13 16.720 0.000 . 1 . . . . . . . . 5997 1 445 . 1 1 102 102 VAL H H 1 7.919 0.003 . 1 . . . . . . . . 5997 1 446 . 1 1 102 102 VAL N N 15 117.358 0.050 . 1 . . . . . . . . 5997 1 447 . 1 1 102 102 VAL CA C 13 65.736 0.000 . 1 . . . . . . . . 5997 1 448 . 1 1 102 102 VAL C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 449 . 1 1 102 102 VAL CB C 13 30.866 0.000 . 1 . . . . . . . . 5997 1 450 . 1 1 103 103 VAL H H 1 7.637 0.001 . 1 . . . . . . . . 5997 1 451 . 1 1 103 103 VAL N N 15 117.862 0.030 . 1 . . . . . . . . 5997 1 452 . 1 1 103 103 VAL CA C 13 65.903 0.000 . 1 . . . . . . . . 5997 1 453 . 1 1 103 103 VAL C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 454 . 1 1 103 103 VAL CB C 13 30.631 0.000 . 1 . . . . . . . . 5997 1 455 . 1 1 104 104 ILE H H 1 8.075 0.000 . 1 . . . . . . . . 5997 1 456 . 1 1 104 104 ILE N N 15 118.090 0.000 . 1 . . . . . . . . 5997 1 457 . 1 1 104 104 ILE CA C 13 65.895 0.000 . 1 . . . . . . . . 5997 1 458 . 1 1 104 104 ILE C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 459 . 1 1 105 105 SER H H 1 8.191 0.004 . 1 . . . . . . . . 5997 1 460 . 1 1 105 105 SER N N 15 110.760 0.010 . 1 . . . . . . . . 5997 1 461 . 1 1 105 105 SER CA C 13 61.319 0.000 . 1 . . . . . . . . 5997 1 462 . 1 1 105 105 SER C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 463 . 1 1 105 105 SER CB C 13 62.228 0.000 . 1 . . . . . . . . 5997 1 464 . 1 1 106 106 ASN H H 1 8.499 0.000 . 1 . . . . . . . . 5997 1 465 . 1 1 106 106 ASN N N 15 116.956 0.030 . 1 . . . . . . . . 5997 1 466 . 1 1 106 106 ASN CA C 13 55.501 0.000 . 1 . . . . . . . . 5997 1 467 . 1 1 106 106 ASN CB C 13 37.340 0.000 . 1 . . . . . . . . 5997 1 468 . 1 1 107 107 CYS H H 1 8.333 0.004 . 1 . . . . . . . . 5997 1 469 . 1 1 107 107 CYS N N 15 118.597 0.030 . 1 . . . . . . . . 5997 1 470 . 1 1 107 107 CYS CA C 13 63.831 0.000 . 1 . . . . . . . . 5997 1 471 . 1 1 107 107 CYS C C 13 178.000 0.000 . 1 . . . . . . . . 5997 1 472 . 1 1 107 107 CYS CB C 13 25.438 0.000 . 1 . . . . . . . . 5997 1 473 . 1 1 108 108 LEU H H 1 8.086 0.001 . 1 . . . . . . . . 5997 1 474 . 1 1 108 108 LEU N N 15 115.480 0.190 . 1 . . . . . . . . 5997 1 475 . 1 1 108 108 LEU CA C 13 57.751 0.000 . 1 . . . . . . . . 5997 1 476 . 1 1 108 108 LEU CB C 13 39.759 0.000 . 1 . . . . . . . . 5997 1 477 . 1 1 109 109 ARG H H 1 8.122 0.002 . 1 . . . . . . . . 5997 1 478 . 1 1 109 109 ARG N N 15 116.596 0.030 . 1 . . . . . . . . 5997 1 479 . 1 1 109 109 ARG CA C 13 59.133 0.000 . 1 . . . . . . . . 5997 1 480 . 1 1 109 109 ARG C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 481 . 1 1 109 109 ARG CB C 13 29.540 0.000 . 1 . . . . . . . . 5997 1 482 . 1 1 110 110 GLU H H 1 8.267 0.006 . 1 . . . . . . . . 5997 1 483 . 1 1 110 110 GLU N N 15 120.156 0.030 . 1 . . . . . . . . 5997 1 484 . 1 1 110 110 GLU CA C 13 57.837 0.000 . 1 . . . . . . . . 5997 1 485 . 1 1 110 110 GLU C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 486 . 1 1 110 110 GLU CB C 13 27.030 0.000 . 1 . . . . . . . . 5997 1 487 . 1 1 111 111 GLU H H 1 8.120 0.005 . 1 . . . . . . . . 5997 1 488 . 1 1 111 111 GLU N N 15 115.340 0.010 . 1 . . . . . . . . 5997 1 489 . 1 1 111 111 GLU CA C 13 59.497 0.000 . 1 . . . . . . . . 5997 1 490 . 1 1 111 111 GLU C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 491 . 1 1 111 111 GLU CB C 13 30.034 0.000 . 1 . . . . . . . . 5997 1 492 . 1 1 112 112 ARG H H 1 7.441 0.001 . 1 . . . . . . . . 5997 1 493 . 1 1 112 112 ARG N N 15 112.572 0.000 . 1 . . . . . . . . 5997 1 494 . 1 1 112 112 ARG CA C 13 60.034 0.000 . 1 . . . . . . . . 5997 1 495 . 1 1 112 112 ARG C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 496 . 1 1 112 112 ARG CB C 13 29.255 0.000 . 1 . . . . . . . . 5997 1 497 . 1 1 113 113 ARG H H 1 8.049 0.004 . 1 . . . . . . . . 5997 1 498 . 1 1 113 113 ARG N N 15 119.585 0.000 . 1 . . . . . . . . 5997 1 499 . 1 1 113 113 ARG CA C 13 59.110 0.000 . 1 . . . . . . . . 5997 1 500 . 1 1 113 113 ARG C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 501 . 1 1 113 113 ARG CB C 13 28.955 0.000 . 1 . . . . . . . . 5997 1 502 . 1 1 114 114 ILE H H 1 8.213 0.000 . 1 . . . . . . . . 5997 1 503 . 1 1 114 114 ILE N N 15 119.850 0.000 . 1 . . . . . . . . 5997 1 504 . 1 1 114 114 ILE CA C 13 64.080 0.000 . 1 . . . . . . . . 5997 1 505 . 1 1 114 114 ILE C C 13 177.000 0.000 . 1 . . . . . . . . 5997 1 506 . 1 1 115 115 LEU H H 1 8.554 0.004 . 1 . . . . . . . . 5997 1 507 . 1 1 115 115 LEU N N 15 117.114 0.050 . 1 . . . . . . . . 5997 1 508 . 1 1 115 115 LEU CA C 13 57.890 0.000 . 1 . . . . . . . . 5997 1 509 . 1 1 115 115 LEU C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 510 . 1 1 115 115 LEU CB C 13 40.401 0.000 . 1 . . . . . . . . 5997 1 511 . 1 1 116 116 ALA H H 1 7.771 0.006 . 1 . . . . . . . . 5997 1 512 . 1 1 116 116 ALA N N 15 116.732 0.030 . 1 . . . . . . . . 5997 1 513 . 1 1 116 116 ALA CA C 13 54.081 0.000 . 1 . . . . . . . . 5997 1 514 . 1 1 116 116 ALA C C 13 173.000 0.000 . 1 . . . . . . . . 5997 1 515 . 1 1 116 116 ALA CB C 13 16.780 0.000 . 1 . . . . . . . . 5997 1 516 . 1 1 117 117 ALA H H 1 7.863 0.000 . 1 . . . . . . . . 5997 1 517 . 1 1 117 117 ALA N N 15 120.074 0.000 . 1 . . . . . . . . 5997 1 518 . 1 1 117 117 ALA CA C 13 53.914 0.000 . 1 . . . . . . . . 5997 1 519 . 1 1 117 117 ALA C C 13 175.000 0.000 . 1 . . . . . . . . 5997 1 520 . 1 1 117 117 ALA CB C 13 16.944 0.000 . 1 . . . . . . . . 5997 1 521 . 1 1 118 118 ALA H H 1 7.695 0.000 . 1 . . . . . . . . 5997 1 522 . 1 1 118 118 ALA N N 15 116.743 0.000 . 1 . . . . . . . . 5997 1 523 . 1 1 118 118 ALA CA C 13 52.165 0.000 . 1 . . . . . . . . 5997 1 524 . 1 1 118 118 ALA C C 13 176.000 0.000 . 1 . . . . . . . . 5997 1 525 . 1 1 119 119 ASN H H 1 7.638 0.000 . 1 . . . . . . . . 5997 1 526 . 1 1 119 119 ASN N N 15 112.407 0.000 . 1 . . . . . . . . 5997 1 527 . 1 1 119 119 ASN CA C 13 52.979 0.000 . 1 . . . . . . . . 5997 1 528 . 1 1 119 119 ASN C C 13 180.000 0.000 . 1 . . . . . . . . 5997 1 529 . 1 1 119 119 ASN CB C 13 37.750 0.000 . 1 . . . . . . . . 5997 1 530 . 1 1 120 120 MET H H 1 7.891 0.004 . 1 . . . . . . . . 5997 1 531 . 1 1 120 120 MET N N 15 117.280 0.030 . 1 . . . . . . . . 5997 1 532 . 1 1 120 120 MET CA C 13 52.859 0.000 . 1 . . . . . . . . 5997 1 533 . 1 1 120 120 MET CB C 13 31.706 0.000 . 1 . . . . . . . . 5997 1 534 . 1 1 122 122 VAL H H 1 8.230 0.001 . 1 . . . . . . . . 5997 1 535 . 1 1 122 122 VAL N N 15 117.128 0.030 . 1 . . . . . . . . 5997 1 536 . 1 1 122 122 VAL CA C 13 61.850 0.000 . 1 . . . . . . . . 5997 1 537 . 1 1 122 122 VAL C C 13 179.000 0.000 . 1 . . . . . . . . 5997 1 538 . 1 1 122 122 VAL CB C 13 31.759 0.000 . 1 . . . . . . . . 5997 1 539 . 1 1 123 123 GLN H H 1 7.906 0.001 . 1 . . . . . . . . 5997 1 540 . 1 1 123 123 GLN N N 15 124.956 0.080 . 1 . . . . . . . . 5997 1 541 . 1 1 123 123 GLN CA C 13 56.546 0.000 . 1 . . . . . . . . 5997 1 542 . 1 1 123 123 GLN CB C 13 29.873 0.000 . 1 . . . . . . . . 5997 1 stop_ save_