data_15732 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15732 _Entry.Title ; 1H, 13C, and 15N backbone resonance assignments of the bright domain of the histone demethylase JARID 1B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-16 _Entry.Accession_date 2008-04-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Wenming Yao . . . 15732 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15732 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 270 15732 '15N chemical shifts' 92 15732 '1H chemical shifts' 544 15732 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 3 . . 2009-08-21 2008-04-16 update BMRB 'added PubMed ID' 15732 2 . . 2009-06-05 2008-04-16 update BMRB 'completed entry citation' 15732 1 . . 2009-03-03 2008-04-16 original author 'original release' 15732 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15732 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636953 _Citation.Full_citation . _Citation.Title '1H, 13C, 15N backbone and side-chain resonance assignments of the Bright/ARID domain from the human histone demethylase JARID1B' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 1 _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 85 _Citation.Page_last 87 _Citation.Year 2009 _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 Wenming Yao . . . 15732 1 2 Yu Peng . . . 15732 1 3 Qun Chen . . . 15732 1 4 Donghai Lin . . . 15732 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15732 _Assembly.ID 1 _Assembly.Name jarid1B-bright _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 jarid1B-bright 1 $bright_domain A . yes native no no . . . 15732 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bright_domain _Entity.Sf_category entity _Entity.Sf_framecode bright_domain _Entity.Entry_ID 15732 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name bright_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 ; MRLNELEAQTRVKLNFLDQI AKYWELQGSTLKIPHVERKI LDLFQLNKLVAEEGGFAVVC KDRKWTKIATKMGFAPGKAV GSHIRGHYERILNPYNLFLS GDSLRCLQKPNLEHHHHHH ; _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 119 _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 BMRB 11388 . "ARID domain" . . . . . 89.08 122 100.00 100.00 3.76e-72 . . . . 15732 1 2 no PDB 2EQY . "Solution Structure Of The Arid Domain Of Jarid1b Protein" . . . . . 89.08 122 100.00 100.00 3.19e-72 . . . . 15732 1 3 no DBJ BAC30898 . "unnamed protein product [Mus musculus]" . . . . . 93.28 1433 99.10 100.00 1.25e-67 . . . . 15732 1 4 no DBJ BAD90482 . "mKIAA4034 protein [Mus musculus]" . . . . . 93.28 1554 100.00 100.00 4.15e-68 . . . . 15732 1 5 no DBJ BAE37363 . "unnamed protein product [Mus musculus]" . . . . . 93.28 600 97.30 97.30 3.81e-65 . . . . 15732 1 6 no EMBL CAB43532 . "PLU-1 protein [Homo sapiens]" . . . . . 93.28 1544 100.00 100.00 7.20e-68 . . . . 15732 1 7 no EMBL CAB63108 . "RB-binding protein [Homo sapiens]" . . . . . 93.28 1681 100.00 100.00 1.08e-67 . . . . 15732 1 8 no GB AAD16061 . "retinoblastoma binding protein 2 homolog 1 [Homo sapiens]" . . . . . 93.28 1580 100.00 100.00 7.68e-68 . . . . 15732 1 9 no GB AAH48180 . "Jumonji, AT rich interactive domain 1B (Rbp2 like) [Mus musculus]" . . . . . 93.28 1544 100.00 100.00 5.17e-68 . . . . 15732 1 10 no GB AAH57318 . "Jumonji, AT rich interactive domain 1B (Rbp2 like) [Mus musculus]" . . . . . 93.28 1544 100.00 100.00 5.17e-68 . . . . 15732 1 11 no GB AAI56050 . "Jumonji, AT rich interactive domain 1B, partial [synthetic construct]" . . . . . 93.28 1544 100.00 100.00 7.20e-68 . . . . 15732 1 12 no GB AAI57032 . "Jumonji, AT rich interactive domain 1B [synthetic construct]" . . . . . 93.28 1544 100.00 100.00 7.20e-68 . . . . 15732 1 13 no REF NP_001100647 . "lysine-specific demethylase 5B [Rattus norvegicus]" . . . . . 93.28 1544 100.00 100.00 4.88e-68 . . . . 15732 1 14 no REF NP_001300971 . "lysine-specific demethylase 5B isoform 1 [Homo sapiens]" . . . . . 93.28 1580 100.00 100.00 5.46e-68 . . . . 15732 1 15 no REF NP_006609 . "lysine-specific demethylase 5B isoform 2 [Homo sapiens]" . . . . . 93.28 1544 100.00 100.00 7.20e-68 . . . . 15732 1 16 no REF NP_690855 . "lysine-specific demethylase 5B [Mus musculus]" . . . . . 93.28 1544 100.00 100.00 5.17e-68 . . . . 15732 1 17 no REF XP_002717636 . "PREDICTED: lysine-specific demethylase 5B isoform X1 [Oryctolagus cuniculus]" . . . . . 93.28 1537 100.00 100.00 6.59e-68 . . . . 15732 1 18 no SP Q80Y84 . "RecName: Full=Lysine-specific demethylase 5B; AltName: Full=Histone demethylase JARID1B; AltName: Full=Jumonji/ARID domain-cont" . . . . . 93.28 1544 100.00 100.00 5.17e-68 . . . . 15732 1 19 no SP Q9UGL1 . "RecName: Full=Lysine-specific demethylase 5B; AltName: Full=Cancer/testis antigen 31; Short=CT31; AltName: Full=Histone demethy" . . . . . 93.28 1544 100.00 100.00 7.20e-68 . . . . 15732 1 20 no TPG DAA21261 . "TPA: RB-binding protein-like [Bos taurus]" . . . . . 93.28 1489 100.00 100.00 6.04e-69 . . . . 15732 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 . MET . 15732 1 2 . ARG . 15732 1 3 . LEU . 15732 1 4 . ASN . 15732 1 5 . GLU . 15732 1 6 . LEU . 15732 1 7 . GLU . 15732 1 8 . ALA . 15732 1 9 . GLN . 15732 1 10 . THR . 15732 1 11 . ARG . 15732 1 12 . VAL . 15732 1 13 . LYS . 15732 1 14 . LEU . 15732 1 15 . ASN . 15732 1 16 . PHE . 15732 1 17 . LEU . 15732 1 18 . ASP . 15732 1 19 . GLN . 15732 1 20 . ILE . 15732 1 21 . ALA . 15732 1 22 . LYS . 15732 1 23 . TYR . 15732 1 24 . TRP . 15732 1 25 . GLU . 15732 1 26 . LEU . 15732 1 27 . GLN . 15732 1 28 . GLY . 15732 1 29 . SER . 15732 1 30 . THR . 15732 1 31 . LEU . 15732 1 32 . LYS . 15732 1 33 . ILE . 15732 1 34 . PRO . 15732 1 35 . HIS . 15732 1 36 . VAL . 15732 1 37 . GLU . 15732 1 38 . ARG . 15732 1 39 . LYS . 15732 1 40 . ILE . 15732 1 41 . LEU . 15732 1 42 . ASP . 15732 1 43 . LEU . 15732 1 44 . PHE . 15732 1 45 . GLN . 15732 1 46 . LEU . 15732 1 47 . ASN . 15732 1 48 . LYS . 15732 1 49 . LEU . 15732 1 50 . VAL . 15732 1 51 . ALA . 15732 1 52 . GLU . 15732 1 53 . GLU . 15732 1 54 . GLY . 15732 1 55 . GLY . 15732 1 56 . PHE . 15732 1 57 . ALA . 15732 1 58 . VAL . 15732 1 59 . VAL . 15732 1 60 . CYS . 15732 1 61 . LYS . 15732 1 62 . ASP . 15732 1 63 . ARG . 15732 1 64 . LYS . 15732 1 65 . TRP . 15732 1 66 . THR . 15732 1 67 . LYS . 15732 1 68 . ILE . 15732 1 69 . ALA . 15732 1 70 . THR . 15732 1 71 . LYS . 15732 1 72 . MET . 15732 1 73 . GLY . 15732 1 74 . PHE . 15732 1 75 . ALA . 15732 1 76 . PRO . 15732 1 77 . GLY . 15732 1 78 . LYS . 15732 1 79 . ALA . 15732 1 80 . VAL . 15732 1 81 . GLY . 15732 1 82 . SER . 15732 1 83 . HIS . 15732 1 84 . ILE . 15732 1 85 . ARG . 15732 1 86 . GLY . 15732 1 87 . HIS . 15732 1 88 . TYR . 15732 1 89 . GLU . 15732 1 90 . ARG . 15732 1 91 . ILE . 15732 1 92 . LEU . 15732 1 93 . ASN . 15732 1 94 . PRO . 15732 1 95 . TYR . 15732 1 96 . ASN . 15732 1 97 . LEU . 15732 1 98 . PHE . 15732 1 99 . LEU . 15732 1 100 . SER . 15732 1 101 . GLY . 15732 1 102 . ASP . 15732 1 103 . SER . 15732 1 104 . LEU . 15732 1 105 . ARG . 15732 1 106 . CYS . 15732 1 107 . LEU . 15732 1 108 . GLN . 15732 1 109 . LYS . 15732 1 110 . PRO . 15732 1 111 . ASN . 15732 1 112 . LEU . 15732 1 113 . GLU . 15732 1 114 . HIS . 15732 1 115 . HIS . 15732 1 116 . HIS . 15732 1 117 . HIS . 15732 1 118 . HIS . 15732 1 119 . HIS . 15732 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15732 1 . ARG 2 2 15732 1 . LEU 3 3 15732 1 . ASN 4 4 15732 1 . GLU 5 5 15732 1 . LEU 6 6 15732 1 . GLU 7 7 15732 1 . ALA 8 8 15732 1 . GLN 9 9 15732 1 . THR 10 10 15732 1 . ARG 11 11 15732 1 . VAL 12 12 15732 1 . LYS 13 13 15732 1 . LEU 14 14 15732 1 . ASN 15 15 15732 1 . PHE 16 16 15732 1 . LEU 17 17 15732 1 . ASP 18 18 15732 1 . GLN 19 19 15732 1 . ILE 20 20 15732 1 . ALA 21 21 15732 1 . LYS 22 22 15732 1 . TYR 23 23 15732 1 . TRP 24 24 15732 1 . GLU 25 25 15732 1 . LEU 26 26 15732 1 . GLN 27 27 15732 1 . GLY 28 28 15732 1 . SER 29 29 15732 1 . THR 30 30 15732 1 . LEU 31 31 15732 1 . LYS 32 32 15732 1 . ILE 33 33 15732 1 . PRO 34 34 15732 1 . HIS 35 35 15732 1 . VAL 36 36 15732 1 . GLU 37 37 15732 1 . ARG 38 38 15732 1 . LYS 39 39 15732 1 . ILE 40 40 15732 1 . LEU 41 41 15732 1 . ASP 42 42 15732 1 . LEU 43 43 15732 1 . PHE 44 44 15732 1 . GLN 45 45 15732 1 . LEU 46 46 15732 1 . ASN 47 47 15732 1 . LYS 48 48 15732 1 . LEU 49 49 15732 1 . VAL 50 50 15732 1 . ALA 51 51 15732 1 . GLU 52 52 15732 1 . GLU 53 53 15732 1 . GLY 54 54 15732 1 . GLY 55 55 15732 1 . PHE 56 56 15732 1 . ALA 57 57 15732 1 . VAL 58 58 15732 1 . VAL 59 59 15732 1 . CYS 60 60 15732 1 . LYS 61 61 15732 1 . ASP 62 62 15732 1 . ARG 63 63 15732 1 . LYS 64 64 15732 1 . TRP 65 65 15732 1 . THR 66 66 15732 1 . LYS 67 67 15732 1 . ILE 68 68 15732 1 . ALA 69 69 15732 1 . THR 70 70 15732 1 . LYS 71 71 15732 1 . MET 72 72 15732 1 . GLY 73 73 15732 1 . PHE 74 74 15732 1 . ALA 75 75 15732 1 . PRO 76 76 15732 1 . GLY 77 77 15732 1 . LYS 78 78 15732 1 . ALA 79 79 15732 1 . VAL 80 80 15732 1 . GLY 81 81 15732 1 . SER 82 82 15732 1 . HIS 83 83 15732 1 . ILE 84 84 15732 1 . ARG 85 85 15732 1 . GLY 86 86 15732 1 . HIS 87 87 15732 1 . TYR 88 88 15732 1 . GLU 89 89 15732 1 . ARG 90 90 15732 1 . ILE 91 91 15732 1 . LEU 92 92 15732 1 . ASN 93 93 15732 1 . PRO 94 94 15732 1 . TYR 95 95 15732 1 . ASN 96 96 15732 1 . LEU 97 97 15732 1 . PHE 98 98 15732 1 . LEU 99 99 15732 1 . SER 100 100 15732 1 . GLY 101 101 15732 1 . ASP 102 102 15732 1 . SER 103 103 15732 1 . LEU 104 104 15732 1 . ARG 105 105 15732 1 . CYS 106 106 15732 1 . LEU 107 107 15732 1 . GLN 108 108 15732 1 . LYS 109 109 15732 1 . PRO 110 110 15732 1 . ASN 111 111 15732 1 . LEU 112 112 15732 1 . GLU 113 113 15732 1 . HIS 114 114 15732 1 . HIS 115 115 15732 1 . HIS 116 116 15732 1 . HIS 117 117 15732 1 . HIS 118 118 15732 1 . HIS 119 119 15732 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 15732 _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 $bright_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15732 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 15732 _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 $bright_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli rosette . . . . . . . . . . . . . . . pet-22b . . . . . . 15732 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15732 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM NaH2PO4,150mM NaCl, 1mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'bright domain' '[U-95% 15N]' . . 1 $bright_domain . . 1 . . mM . . . . 15732 1 2 NaH2PO4 . . . . . . . 20 . . mM . . . . 15732 1 3 NaCl . . . . . . . 150 . . mM . . . . 15732 1 4 DTT . . . . . . . 1 . . mM . . . . 15732 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 15732 _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' 0.15 . M 15732 1 pH 6 . pH 15732 1 pressure 1 . atm 15732 1 temperature 298 . K 15732 1 stop_ save_ ############################ # Computer software used # ############################ save_sparky _Software.Sf_category software _Software.Sf_framecode sparky _Software.Entry_ID 15732 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15732 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15732 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 15732 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15732 _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 Varian INOVA . 600 . . . 15732 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 15732 _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 . . . . . . . . . . . . . . . . 15732 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15732 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15732 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15732 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15732 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15732 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15732 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 15732 _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 0.00 . indirect 0.251449530 . . . . . . . . . 15732 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15732 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15732 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . . . . . 15732 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 15732 _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' . . . 15732 1 2 '3D CBCA(CO)NH' . . . 15732 1 3 '3D HNCA' . . . 15732 1 4 '3D HNCACB' . . . 15732 1 6 '3D HCCH-TOCSY' . . . 15732 1 7 '3D HNHA' . . . 15732 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $sparky . . 15732 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 2 2 ARG HA H 1 4.410 0.010 . . . . . . 2 R HA . 15732 1 2 . 1 1 2 2 ARG HB2 H 1 1.890 0.015 . . . . . . 2 R HB1 . 15732 1 3 . 1 1 2 2 ARG HB3 H 1 1.775 0.003 . . . . . . 2 R HB2 . 15732 1 4 . 1 1 2 2 ARG HD2 H 1 3.221 0.008 . . . . . . 2 R HD1 . 15732 1 5 . 1 1 2 2 ARG HD3 H 1 3.233 0.0012 . . . . . . 2 R HD2 . 15732 1 6 . 1 1 2 2 ARG HG2 H 1 1.661 0.005 . . . . . . 2 R HG1 . 15732 1 7 . 1 1 2 2 ARG CA C 13 55.820 0.272 . . . . . . 2 R CA . 15732 1 8 . 1 1 2 2 ARG CB C 13 31.107 0.016 . . . . . . 2 R CB . 15732 1 9 . 1 1 2 2 ARG CD C 13 43.386 0.052 . . . . . . 2 R CD . 15732 1 10 . 1 1 2 2 ARG CG C 13 27.213 0.014 . . . . . . 2 R CG . 15732 1 11 . 1 1 3 3 LEU H H 1 8.540 0.003 . . . . . . 3 L HN . 15732 1 12 . 1 1 3 3 LEU HA H 1 4.303 0.007 . . . . . . 3 L HA . 15732 1 13 . 1 1 3 3 LEU HB2 H 1 1.652 0.012 . . . . . . 3 L HB1 . 15732 1 14 . 1 1 3 3 LEU HB3 H 1 1.647 0.021 . . . . . . 3 L HB2 . 15732 1 15 . 1 1 3 3 LEU HD11 H 1 0.926 0.000 . . . . . . 3 L HD1# . 15732 1 16 . 1 1 3 3 LEU HD12 H 1 0.926 0.000 . . . . . . 3 L HD1# . 15732 1 17 . 1 1 3 3 LEU HD13 H 1 0.926 0.000 . . . . . . 3 L HD1# . 15732 1 18 . 1 1 3 3 LEU HD21 H 1 0.876 0.000 . . . . . . 3 L HD2# . 15732 1 19 . 1 1 3 3 LEU HD22 H 1 0.876 0.000 . . . . . . 3 L HD2# . 15732 1 20 . 1 1 3 3 LEU HD23 H 1 0.876 0.000 . . . . . . 3 L HD2# . 15732 1 21 . 1 1 3 3 LEU HG H 1 1.530 0.021 . . . . . . 3 L HG . 15732 1 22 . 1 1 3 3 LEU CA C 13 55.477 0.232 . . . . . . 3 L CA . 15732 1 23 . 1 1 3 3 LEU CB C 13 42.361 0.021 . . . . . . 3 L CB . 15732 1 24 . 1 1 3 3 LEU CD1 C 13 24.882 0.012 . . . . . . 3 L CD1 . 15732 1 25 . 1 1 3 3 LEU CD2 C 13 23.712 0.012 . . . . . . 3 L CD2 . 15732 1 26 . 1 1 3 3 LEU CG C 13 27.121 0.005 . . . . . . 3 L CG . 15732 1 27 . 1 1 3 3 LEU N N 15 124.420 0.020 . . . . . . 3 L N . 15732 1 28 . 1 1 4 4 ASN H H 1 8.604 0.007 . . . . . . 4 N HN . 15732 1 29 . 1 1 4 4 ASN HA H 1 4.632 0.009 . . . . . . 4 N HA . 15732 1 30 . 1 1 4 4 ASN HB2 H 1 2.869 0.002 . . . . . . 4 N HB1 . 15732 1 31 . 1 1 4 4 ASN HB3 H 1 2.812 0.002 . . . . . . 4 N HB2 . 15732 1 32 . 1 1 4 4 ASN CA C 13 53.588 0.353 . . . . . . 4 N CA . 15732 1 33 . 1 1 4 4 ASN CB C 13 38.338 0.003 . . . . . . 4 N CB . 15732 1 34 . 1 1 4 4 ASN N N 15 118.838 0.071 . . . . . . 4 N N . 15732 1 35 . 1 1 5 5 GLU H H 1 8.310 0.011 . . . . . . 5 E HN . 15732 1 36 . 1 1 5 5 GLU HA H 1 4.192 0.012 . . . . . . 5 E HA . 15732 1 37 . 1 1 5 5 GLU HB2 H 1 2.068 0.003 . . . . . . 5 E HB# . 15732 1 38 . 1 1 5 5 GLU HB3 H 1 2.068 0.003 . . . . . . 5 E HB# . 15732 1 39 . 1 1 5 5 GLU HG2 H 1 2.292 0.005 . . . . . . 5 E HG# . 15732 1 40 . 1 1 5 5 GLU HG3 H 1 2.292 0.005 . . . . . . 5 E HG# . 15732 1 41 . 1 1 5 5 GLU CA C 13 58.006 0.216 . . . . . . 5 E CA . 15732 1 42 . 1 1 5 5 GLU CB C 13 30.202 0.021 . . . . . . 5 E CB . 15732 1 43 . 1 1 5 5 GLU CG C 13 36.527 0.031 . . . . . . 5 E CG . 15732 1 44 . 1 1 5 5 GLU N N 15 121.516 0.036 . . . . . . 5 E N . 15732 1 45 . 1 1 6 6 LEU H H 1 8.130 0.011 . . . . . . 6 L HN . 15732 1 46 . 1 1 6 6 LEU HA H 1 4.248 0.007 . . . . . . 6 L HA . 15732 1 47 . 1 1 6 6 LEU HB2 H 1 1.725 0.004 . . . . . . 6 L HB1 . 15732 1 48 . 1 1 6 6 LEU HB3 H 1 1.659 0.004 . . . . . . 6 L HB2 . 15732 1 49 . 1 1 6 6 LEU HD11 H 1 0.934 0.000 . . . . . . 6 L HD1 . 15732 1 50 . 1 1 6 6 LEU HD12 H 1 0.934 0.000 . . . . . . 6 L HD1 . 15732 1 51 . 1 1 6 6 LEU HD13 H 1 0.934 0.000 . . . . . . 6 L HD1 . 15732 1 52 . 1 1 6 6 LEU HD21 H 1 0.893 0.004 . . . . . . 6 L HD2 . 15732 1 53 . 1 1 6 6 LEU HD22 H 1 0.893 0.004 . . . . . . 6 L HD2 . 15732 1 54 . 1 1 6 6 LEU HD23 H 1 0.893 0.004 . . . . . . 6 L HD2 . 15732 1 55 . 1 1 6 6 LEU HG H 1 1.618 0.005 . . . . . . 6 L HG . 15732 1 56 . 1 1 6 6 LEU CA C 13 56.425 0.196 . . . . . . 6 L CA . 15732 1 57 . 1 1 6 6 LEU CB C 13 41.968 0.005 . . . . . . 6 L CB . 15732 1 58 . 1 1 6 6 LEU CD1 C 13 24.405 0.000 . . . . . . 6 L CD1 . 15732 1 59 . 1 1 6 6 LEU CD2 C 13 23.850 0.000 . . . . . . 6 L CD2 . 15732 1 60 . 1 1 6 6 LEU CG C 13 27.164 0.015 . . . . . . 6 L CG . 15732 1 61 . 1 1 6 6 LEU N N 15 121.636 0.029 . . . . . . 6 L N . 15732 1 62 . 1 1 7 7 GLU H H 1 8.342 0.005 . . . . . . 7 E HN . 15732 1 63 . 1 1 7 7 GLU HA H 1 4.127 0.010 . . . . . . 7 E HA . 15732 1 64 . 1 1 7 7 GLU HB2 H 1 2.075 0.005 . . . . . . 7 E HB# . 15732 1 65 . 1 1 7 7 GLU HB3 H 1 2.075 0.005 . . . . . . 7 E HB# . 15732 1 66 . 1 1 7 7 GLU HG2 H 1 2.372 0.003 . . . . . . 7 E HG1 . 15732 1 67 . 1 1 7 7 GLU HG3 H 1 2.323 0.003 . . . . . . 7 E HG2 . 15732 1 68 . 1 1 7 7 GLU CA C 13 58.121 0.251 . . . . . . 7 E CA . 15732 1 69 . 1 1 7 7 GLU CB C 13 29.861 0.006 . . . . . . 7 E CB . 15732 1 70 . 1 1 7 7 GLU CG C 13 36.425 0.000 . . . . . . 7 E CG . 15732 1 71 . 1 1 7 7 GLU N N 15 121.365 0.032 . . . . . . 7 E N . 15732 1 72 . 1 1 8 8 ALA H H 1 8.245 0.005 . . . . . . 8 A HN . 15732 1 73 . 1 1 8 8 ALA CA C 13 54.755 0.035 . . . . . . 8 A CA . 15732 1 74 . 1 1 8 8 ALA CB C 13 18.761 0.067 . . . . . . 8 A CB . 15732 1 75 . 1 1 8 8 ALA N N 15 123.066 0.010 . . . . . . 8 A N . 15732 1 76 . 1 1 9 9 GLN H H 1 8.258 0.002 . . . . . . 9 Q HN . 15732 1 77 . 1 1 9 9 GLN HA H 1 4.169 0.011 . . . . . . 9 Q HA . 15732 1 78 . 1 1 9 9 GLN HB2 H 1 2.175 0.000 . . . . . . 9 Q HB# . 15732 1 79 . 1 1 9 9 GLN HB3 H 1 2.175 0.000 . . . . . . 9 Q HB# . 15732 1 80 . 1 1 9 9 GLN HG2 H 1 2.490 0.000 . . . . . . 9 Q HG# . 15732 1 81 . 1 1 9 9 GLN HG3 H 1 2.490 0.000 . . . . . . 9 Q HG# . 15732 1 82 . 1 1 9 9 GLN CA C 13 58.029 0.090 . . . . . . 9 Q CA . 15732 1 83 . 1 1 9 9 GLN CB C 13 28.826 0.004 . . . . . . 9 Q CB . 15732 1 84 . 1 1 9 9 GLN CG C 13 34.141 0.000 . . . . . . 9 Q CG . 15732 1 85 . 1 1 9 9 GLN N N 15 117.326 0.023 . . . . . . 9 Q N . 15732 1 86 . 1 1 10 10 THR H H 1 8.068 0.004 . . . . . . 10 T HN . 15732 1 87 . 1 1 10 10 THR HA H 1 3.947 0.009 . . . . . . 10 T HA . 15732 1 88 . 1 1 10 10 THR HG21 H 1 1.257 0.000 . . . . . . 10 T HG# . 15732 1 89 . 1 1 10 10 THR HG22 H 1 1.257 0.000 . . . . . . 10 T HG# . 15732 1 90 . 1 1 10 10 THR HG23 H 1 1.257 0.000 . . . . . . 10 T HG# . 15732 1 91 . 1 1 10 10 THR CA C 13 65.668 0.022 . . . . . . 10 T CA . 15732 1 92 . 1 1 10 10 THR CB C 13 68.752 0.031 . . . . . . 10 T CB . 15732 1 93 . 1 1 10 10 THR N N 15 116.250 0.043 . . . . . . 10 T N . 15732 1 94 . 1 1 11 11 ARG H H 1 8.018 0.004 . . . . . . 11 R HN . 15732 1 95 . 1 1 11 11 ARG HA H 1 4.019 0.003 . . . . . . 11 R HA . 15732 1 96 . 1 1 11 11 ARG HB2 H 1 1.949 0.000 . . . . . . 11 R HB# . 15732 1 97 . 1 1 11 11 ARG HB3 H 1 1.949 0.000 . . . . . . 11 R HB# . 15732 1 98 . 1 1 11 11 ARG HD2 H 1 3.239 0.000 . . . . . . 11 R HD# . 15732 1 99 . 1 1 11 11 ARG HD3 H 1 3.239 0.000 . . . . . . 11 R HD# . 15732 1 100 . 1 1 11 11 ARG HG2 H 1 1.712 0.000 . . . . . . 11 R HG# . 15732 1 101 . 1 1 11 11 ARG HG3 H 1 1.712 0.000 . . . . . . 11 R HG# . 15732 1 102 . 1 1 11 11 ARG CA C 13 59.122 0.046 . . . . . . 11 R CA . 15732 1 103 . 1 1 11 11 ARG CB C 13 30.026 0.046 . . . . . . 11 R CB . 15732 1 104 . 1 1 11 11 ARG CG C 13 27.21 0.008 . . . . . . 11 R CG . 15732 1 105 . 1 1 11 11 ARG CD C 13 43.240 0.017 . . . . . . 11 R CD . 15732 1 106 . 1 1 11 11 ARG N N 15 121.122 0.023 . . . . . . 11 R N . 15732 1 107 . 1 1 12 12 VAL H H 1 7.663 0.004 . . . . . . 12 V HN . 15732 1 108 . 1 1 12 12 VAL HA H 1 3.809 0.007 . . . . . . 12 V HA . 15732 1 109 . 1 1 12 12 VAL HB H 1 2.124 0.017 . . . . . . 12 V HB . 15732 1 110 . 1 1 12 12 VAL HG11 H 1 1.065 0.000 . . . . . . 12 V HG# . 15732 1 111 . 1 1 12 12 VAL HG12 H 1 1.065 0.000 . . . . . . 12 V HG# . 15732 1 112 . 1 1 12 12 VAL HG13 H 1 1.065 0.000 . . . . . . 12 V HG# . 15732 1 113 . 1 1 12 12 VAL HG21 H 1 1.065 0.000 . . . . . . 12 V HG# . 15732 1 114 . 1 1 12 12 VAL HG22 H 1 1.065 0.000 . . . . . . 12 V HG# . 15732 1 115 . 1 1 12 12 VAL HG23 H 1 1.065 0.000 . . . . . . 12 V HG# . 15732 1 116 . 1 1 12 12 VAL CA C 13 65.934 0.084 . . . . . . 12 V CA . 15732 1 117 . 1 1 12 12 VAL CB C 13 31.961 0.055 . . . . . . 12 V CB . 15732 1 118 . 1 1 12 12 VAL CG1 C 13 22.059 0.000 . . . . . . 12 V CG1 . 15732 1 119 . 1 1 12 12 VAL CG2 C 13 21.555 0.000 . . . . . . 12 V CG2 . 15732 1 120 . 1 1 12 12 VAL N N 15 118.778 0.016 . . . . . . 12 V N . 15732 1 121 . 1 1 13 13 LYS H H 1 7.538 0.012 . . . . . . 13 K HN . 15732 1 122 . 1 1 13 13 LYS HA H 1 3.299 0.000 . . . . . . 13 K HA . 15732 1 123 . 1 1 13 13 LYS HB2 H 1 1.689 0.000 . . . . . . 13 K HB# . 15732 1 124 . 1 1 13 13 LYS HB3 H 1 1.689 0.000 . . . . . . 13 K HB# . 15732 1 125 . 1 1 13 13 LYS HE2 H 1 2.998 0.012 . . . . . . 13 K HE# . 15732 1 126 . 1 1 13 13 LYS HE3 H 1 2.974 0.012 . . . . . . 13 K HE# . 15732 1 127 . 1 1 13 13 LYS HG2 H 1 1.376 0.000 . . . . . . 13 K HG# . 15732 1 128 . 1 1 13 13 LYS HG3 H 1 1.376 0.000 . . . . . . 13 K HG# . 15732 1 129 . 1 1 13 13 LYS CA C 13 59.619 0.048 . . . . . . 13 K CA . 15732 1 130 . 1 1 13 13 LYS CB C 13 32.117 0.034 . . . . . . 13 K CB . 15732 1 131 . 1 1 13 13 LYS CD C 13 29.855 0.012 . . . . . . 13 K CD . 15732 1 132 . 1 1 13 13 LYS CE C 13 42.279 0.019 . . . . . . 13 K CE . 15732 1 133 . 1 1 13 13 LYS CG C 13 24.998 0.020 . . . . . . 13 K CG . 15732 1 134 . 1 1 13 13 LYS N N 15 122.148 0.021 . . . . . . 13 K N . 15732 1 135 . 1 1 14 14 LEU H H 1 8.190 0.004 . . . . . . 14 L HN . 15732 1 136 . 1 1 14 14 LEU HA H 1 4.082 0.008 . . . . . . 14 L HA . 15732 1 137 . 1 1 14 14 LEU HB2 H 1 1.811 0.005 . . . . . . 14 L HB1 . 15732 1 138 . 1 1 14 14 LEU HB3 H 1 1.578 0.005 . . . . . . 14 L HB2 . 15732 1 139 . 1 1 14 14 LEU HD11 H 1 0.879 0.000 . . . . . . 14 L HD# . 15732 1 140 . 1 1 14 14 LEU HD12 H 1 0.879 0.000 . . . . . . 14 L HD# . 15732 1 141 . 1 1 14 14 LEU HD13 H 1 0.879 0.000 . . . . . . 14 L HD# . 15732 1 142 . 1 1 14 14 LEU HD21 H 1 0.879 0.000 . . . . . . 14 L HD# . 15732 1 143 . 1 1 14 14 LEU HD22 H 1 0.879 0.000 . . . . . . 14 L HD# . 15732 1 144 . 1 1 14 14 LEU HD23 H 1 0.879 0.000 . . . . . . 14 L HD# . 15732 1 145 . 1 1 14 14 LEU CA C 13 57.876 0.041 . . . . . . 14 L CA . 15732 1 146 . 1 1 14 14 LEU CB C 13 41.360 0.025 . . . . . . 14 L CB . 15732 1 147 . 1 1 14 14 LEU CD1 C 13 25.405 0.003 . . . . . . 14 L CD1 . 15732 1 148 . 1 1 14 14 LEU CD2 C 13 22.672 0.003 . . . . . . 14 L CD2 . 15732 1 149 . 1 1 14 14 LEU CG C 13 26.903 0.028 . . . . . . 14 L CG . 15732 1 150 . 1 1 14 14 LEU N N 15 118.958 0.033 . . . . . . 14 L N . 15732 1 151 . 1 1 15 15 ASN H H 1 8.395 0.004 . . . . . . 15 N HN . 15732 1 152 . 1 1 15 15 ASN HA H 1 4.568 0.003 . . . . . . 15 N HA . 15732 1 153 . 1 1 15 15 ASN HB2 H 1 2.939 0.011 . . . . . . 15 N HB# . 15732 1 154 . 1 1 15 15 ASN HB3 H 1 2.939 0.011 . . . . . . 15 N HB# . 15732 1 155 . 1 1 15 15 ASN CA C 13 56.073 0.040 . . . . . . 15 N CA . 15732 1 156 . 1 1 15 15 ASN CB C 13 38.492 0.016 . . . . . . 15 N CB . 15732 1 157 . 1 1 15 15 ASN N N 15 118.325 0.019 . . . . . . 15 N N . 15732 1 158 . 1 1 16 16 PHE H H 1 8.052 0.004 . . . . . . 16 F HN . 15732 1 159 . 1 1 16 16 PHE HA H 1 4.413 0.001 . . . . . . 16 F HA . 15732 1 160 . 1 1 16 16 PHE HB2 H 1 3.510 0.000 . . . . . . 16 F HB# . 15732 1 161 . 1 1 16 16 PHE HB3 H 1 3.510 0.000 . . . . . . 16 F HB# . 15732 1 162 . 1 1 16 16 PHE CA C 13 61.629 0.037 . . . . . . 16 F CA . 15732 1 163 . 1 1 16 16 PHE CB C 13 39.392 0.041 . . . . . . 16 F CB . 15732 1 164 . 1 1 16 16 PHE N N 15 121.575 0.012 . . . . . . 16 F N . 15732 1 165 . 1 1 17 17 LEU H H 1 8.321 0.003 . . . . . . 17 L HN . 15732 1 166 . 1 1 17 17 LEU HA H 1 3.904 0.000 . . . . . . 17 L HA . 15732 1 167 . 1 1 17 17 LEU HB2 H 1 1.999 0.000 . . . . . . 17 L HB1 . 15732 1 168 . 1 1 17 17 LEU HB3 H 1 1.606 0.000 . . . . . . 17 L HB2 . 15732 1 169 . 1 1 17 17 LEU HD11 H 1 1.070 0.000 . . . . . . 17 L HD . 15732 1 170 . 1 1 17 17 LEU HD12 H 1 1.070 0.000 . . . . . . 17 L HD . 15732 1 171 . 1 1 17 17 LEU HD13 H 1 1.070 0.000 . . . . . . 17 L HD . 15732 1 172 . 1 1 17 17 LEU HD21 H 1 1.070 0.000 . . . . . . 17 L HD . 15732 1 173 . 1 1 17 17 LEU HD22 H 1 1.070 0.000 . . . . . . 17 L HD . 15732 1 174 . 1 1 17 17 LEU HD23 H 1 1.070 0.000 . . . . . . 17 L HD . 15732 1 175 . 1 1 17 17 LEU HG H 1 2.097 0.000 . . . . . . 17 L HG . 15732 1 176 . 1 1 17 17 LEU CA C 13 57.427 0.034 . . . . . . 17 L CA . 15732 1 177 . 1 1 17 17 LEU CB C 13 41.318 0.000 . . . . . . 17 L CB . 15732 1 178 . 1 1 17 17 LEU CD1 C 13 25.570 0.000 . . . . . . 17 L CD1 . 15732 1 179 . 1 1 17 17 LEU CD2 C 13 22.680 0.000 . . . . . . 17 L CD2 . 15732 1 180 . 1 1 17 17 LEU CG C 13 27.471 0.000 . . . . . . 17 L CG . 15732 1 181 . 1 1 17 17 LEU N N 15 118.809 0.022 . . . . . . 17 L N . 15732 1 182 . 1 1 18 18 ASP H H 1 8.028 0.003 . . . . . . 18 D HN . 15732 1 183 . 1 1 18 18 ASP HA H 1 4.450 0.003 . . . . . . 18 D HA . 15732 1 184 . 1 1 18 18 ASP HB2 H 1 2.830 0.000 . . . . . . 18 D HB1 . 15732 1 185 . 1 1 18 18 ASP HB3 H 1 2.830 0.000 . . . . . . 18 D HB2 . 15732 1 186 . 1 1 18 18 ASP CA C 13 57.463 0.068 . . . . . . 18 D CA . 15732 1 187 . 1 1 18 18 ASP CB C 13 41.409 0.003 . . . . . . 18 D CB . 15732 1 188 . 1 1 18 18 ASP N N 15 119.678 0.031 . . . . . . 18 D N . 15732 1 189 . 1 1 19 19 GLN H H 1 8.108 0.005 . . . . . . 19 Q HN . 15732 1 190 . 1 1 19 19 GLN CA C 13 59.190 0.000 . . . . . . 19 Q CA . 15732 1 191 . 1 1 19 19 GLN CB C 13 28.606 0.000 . . . . . . 19 Q CB . 15732 1 192 . 1 1 19 19 GLN N N 15 118.959 0.020 . . . . . . 19 Q N . 15732 1 193 . 1 1 20 20 ILE HA H 1 3.491 0.000 . . . . . . 20 I HA . 15732 1 194 . 1 1 20 20 ILE CA C 13 65.069 0.000 . . . . . . 20 I CA . 15732 1 195 . 1 1 20 20 ILE CB C 13 37.453 0.000 . . . . . . 20 I CB . 15732 1 196 . 1 1 21 21 ALA H H 1 8.433 0.003 . . . . . . 21 A HN . 15732 1 197 . 1 1 21 21 ALA HA H 1 4.209 0.000 . . . . . . 21 A HA . 15732 1 198 . 1 1 21 21 ALA HB1 H 1 1.640 0.000 . . . . . . 21 A HB# . 15732 1 199 . 1 1 21 21 ALA HB2 H 1 1.640 0.000 . . . . . . 21 A HB# . 15732 1 200 . 1 1 21 21 ALA HB3 H 1 1.640 0.000 . . . . . . 21 A HB# . 15732 1 201 . 1 1 21 21 ALA CA C 13 55.829 0.021 . . . . . . 21 A CA . 15732 1 202 . 1 1 21 21 ALA CB C 13 19.158 0.013 . . . . . . 21 A CB . 15732 1 203 . 1 1 21 21 ALA N N 15 120.942 0.009 . . . . . . 21 A N . 15732 1 204 . 1 1 22 22 LYS H H 1 8.125 0.004 . . . . . . 22 K HN . 15732 1 205 . 1 1 22 22 LYS HA H 1 4.120 0.000 . . . . . . 22 K HA . 15732 1 206 . 1 1 22 22 LYS HB2 H 1 1.848 0.003 . . . . . . 22 K HB# . 15732 1 207 . 1 1 22 22 LYS HB3 H 1 1.848 0.003 . . . . . . 22 K HB# . 15732 1 208 . 1 1 22 22 LYS HD2 H 1 1.491 0.011 . . . . . . 22 K HD1 . 15732 1 209 . 1 1 22 22 LYS HD3 H 1 1.427 0.009 . . . . . . 22 K HD2 . 15732 1 210 . 1 1 22 22 LYS HE2 H 1 3.001 0.008 . . . . . . 22 K HE1 . 15732 1 211 . 1 1 22 22 LYS HE3 H 1 2.949 0.008 . . . . . . 22 K HE2 . 15732 1 212 . 1 1 22 22 LYS HG2 H 1 1.491 0.017 . . . . . . 22 K HG1 . 15732 1 213 . 1 1 22 22 LYS HG3 H 1 1.427 0.017 . . . . . . 22 K HG2 . 15732 1 214 . 1 1 22 22 LYS CA C 13 58.843 0.000 . . . . . . 22 K CA . 15732 1 215 . 1 1 22 22 LYS CB C 13 32.051 0.002 . . . . . . 22 K CB . 15732 1 216 . 1 1 22 22 LYS N N 15 119.815 0.009 . . . . . . 22 K N . 15732 1 217 . 1 1 23 23 TYR HA H 1 3.780 0.005 . . . . . . 23 Y HA . 15732 1 218 . 1 1 23 23 TYR HB2 H 1 2.975 0.044 . . . . . . 23 Y HB# . 15732 1 219 . 1 1 23 23 TYR HB3 H 1 2.975 0.044 . . . . . . 23 Y HB# . 15732 1 220 . 1 1 23 23 TYR CA C 13 61.642 0.057 . . . . . . 23 Y CA . 15732 1 221 . 1 1 23 23 TYR CB C 13 38.090 0.107 . . . . . . 23 Y CB . 15732 1 222 . 1 1 24 24 TRP H H 1 7.840 0.004 . . . . . . 24 W HN . 15732 1 223 . 1 1 24 24 TRP HA H 1 4.086 0.012 . . . . . . 24 W HA . 15732 1 224 . 1 1 24 24 TRP HB2 H 1 3.451 0.000 . . . . . . 24 W HB# . 15732 1 225 . 1 1 24 24 TRP HB3 H 1 3.451 0.000 . . . . . . 24 W HB# . 15732 1 226 . 1 1 24 24 TRP CA C 13 60.861 0.028 . . . . . . 24 W CA . 15732 1 227 . 1 1 24 24 TRP CB C 13 28.434 0.056 . . . . . . 24 W CB . 15732 1 228 . 1 1 24 24 TRP N N 15 119.271 0.045 . . . . . . 24 W N . 15732 1 229 . 1 1 25 25 GLU H H 1 8.367 0.004 . . . . . . 25 E HN . 15732 1 230 . 1 1 25 25 GLU HA H 1 4.220 0.000 . . . . . . 25 E HA . 15732 1 231 . 1 1 25 25 GLU HB2 H 1 2.186 0.000 . . . . . . 25 E HB# . 15732 1 232 . 1 1 25 25 GLU HB3 H 1 2.186 0.000 . . . . . . 25 E HB# . 15732 1 233 . 1 1 25 25 GLU HG2 H 1 2.426 0.000 . . . . . . 25 E HG# . 15732 1 234 . 1 1 25 25 GLU HG3 H 1 2.426 0.000 . . . . . . 25 E HG# . 15732 1 235 . 1 1 25 25 GLU CA C 13 59.473 0.038 . . . . . . 25 E CA . 15732 1 236 . 1 1 25 25 GLU CB C 13 29.780 0.116 . . . . . . 25 E CB . 15732 1 237 . 1 1 25 25 GLU N N 15 122.230 0.006 . . . . . . 25 E N . 15732 1 238 . 1 1 26 26 LEU H H 1 7.964 0.005 . . . . . . 26 L HN . 15732 1 239 . 1 1 26 26 LEU HA H 1 4.061 0.003 . . . . . . 26 L HA . 15732 1 240 . 1 1 26 26 LEU HB2 H 1 1.703 0.032 . . . . . . 26 L HB1 . 15732 1 241 . 1 1 26 26 LEU HB3 H 1 1.491 0.032 . . . . . . 26 L HB2 . 15732 1 242 . 1 1 26 26 LEU HD11 H 1 0.813 0.000 . . . . . . 26 L HD11 . 15732 1 243 . 1 1 26 26 LEU HD12 H 1 0.813 0.000 . . . . . . 26 L HD11 . 15732 1 244 . 1 1 26 26 LEU HD13 H 1 0.813 0.000 . . . . . . 26 L HD11 . 15732 1 245 . 1 1 26 26 LEU HD21 H 1 0.808 0.000 . . . . . . 26 L HD21 . 15732 1 246 . 1 1 26 26 LEU HD22 H 1 0.808 0.000 . . . . . . 26 L HD21 . 15732 1 247 . 1 1 26 26 LEU HD23 H 1 0.808 0.000 . . . . . . 26 L HD21 . 15732 1 248 . 1 1 26 26 LEU HG H 1 1.710 0.000 . . . . . . 26 L HG . 15732 1 249 . 1 1 26 26 LEU CA C 13 57.376 0.057 . . . . . . 26 L CA . 15732 1 250 . 1 1 26 26 LEU CB C 13 41.321 0.042 . . . . . . 26 L CB . 15732 1 251 . 1 1 26 26 LEU CD1 C 13 25.004 0.000 . . . . . . 26 L CD1 . 15732 1 252 . 1 1 26 26 LEU CD2 C 13 23.356 0.000 . . . . . . 26 L CD2 . 15732 1 253 . 1 1 26 26 LEU CG C 13 26.774 0.000 . . . . . . 26 L CG . 15732 1 254 . 1 1 26 26 LEU N N 15 121.887 0.025 . . . . . . 26 L N . 15732 1 255 . 1 1 27 27 GLN H H 1 7.289 0.005 . . . . . . 27 Q HN . 15732 1 256 . 1 1 27 27 GLN HA H 1 4.170 0.000 . . . . . . 27 Q HA . 15732 1 257 . 1 1 27 27 GLN HB2 H 1 1.933 0.000 . . . . . . 27 Q HB# . 15732 1 258 . 1 1 27 27 GLN HB3 H 1 1.933 0.000 . . . . . . 27 Q HB# . 15732 1 259 . 1 1 27 27 GLN HG2 H 1 2.375 0.000 . . . . . . 27 Q HG# . 15732 1 260 . 1 1 27 27 GLN HG3 H 1 2.375 0.000 . . . . . . 27 Q HG# . 15732 1 261 . 1 1 27 27 GLN CA C 13 54.374 0.050 . . . . . . 27 Q CA . 15732 1 262 . 1 1 27 27 GLN CB C 13 28.272 0.093 . . . . . . 27 Q CB . 15732 1 263 . 1 1 27 27 GLN CG C 13 32.298 0.000 . . . . . . 27 Q CG . 15732 1 264 . 1 1 27 27 GLN N N 15 114.941 0.048 . . . . . . 27 Q N . 15732 1 265 . 1 1 28 28 GLY H H 1 7.913 0.003 . . . . . . 28 G HN . 15732 1 266 . 1 1 28 28 GLY HA2 H 1 4.255 0.003 . . . . . . 28 G HA1 . 15732 1 267 . 1 1 28 28 GLY HA3 H 1 3.825 0.003 . . . . . . 28 G HA2 . 15732 1 268 . 1 1 28 28 GLY CA C 13 45.569 0.017 . . . . . . 28 G CA . 15732 1 269 . 1 1 28 28 GLY N N 15 107.341 0.024 . . . . . . 28 G N . 15732 1 270 . 1 1 29 29 SER H H 1 8.071 0.009 . . . . . . 29 S HN . 15732 1 271 . 1 1 29 29 SER HA H 1 4.798 0.006 . . . . . . 29 S HA . 15732 1 272 . 1 1 29 29 SER HB2 H 1 3.796 0.000 . . . . . . 29 S HB# . 15732 1 273 . 1 1 29 29 SER HB3 H 1 3.796 0.000 . . . . . . 29 S HB# . 15732 1 274 . 1 1 29 29 SER CA C 13 55.933 0.060 . . . . . . 29 S CA . 15732 1 275 . 1 1 29 29 SER CB C 13 64.936 0.030 . . . . . . 29 S CB . 15732 1 276 . 1 1 29 29 SER N N 15 115.745 0.018 . . . . . . 29 S N . 15732 1 277 . 1 1 30 30 THR H H 1 8.255 0.004 . . . . . . 30 T HN . 15732 1 278 . 1 1 30 30 THR HA H 1 4.255 0.000 . . . . . . 30 T HA . 15732 1 279 . 1 1 30 30 THR HB H 1 3.894 0.000 . . . . . . 30 T HB . 15732 1 280 . 1 1 30 30 THR HG21 H 1 1.157 0.000 . . . . . . 30 T HG2# . 15732 1 281 . 1 1 30 30 THR HG22 H 1 1.157 0.000 . . . . . . 30 T HG2# . 15732 1 282 . 1 1 30 30 THR HG23 H 1 1.157 0.000 . . . . . . 30 T HG2# . 15732 1 283 . 1 1 30 30 THR CA C 13 61.802 0.104 . . . . . . 30 T CA . 15732 1 284 . 1 1 30 30 THR CB C 13 70.261 0.012 . . . . . . 30 T CB . 15732 1 285 . 1 1 30 30 THR N N 15 117.026 0.014 . . . . . . 30 T N . 15732 1 286 . 1 1 31 31 LEU H H 1 8.992 0.003 . . . . . . 31 L HN . 15732 1 287 . 1 1 31 31 LEU HA H 1 3.969 0.006 . . . . . . 31 L HA . 15732 1 288 . 1 1 31 31 LEU HB2 H 1 1.917 0.000 . . . . . . 31 L HB1 . 15732 1 289 . 1 1 31 31 LEU HB3 H 1 1.254 0.000 . . . . . . 31 L HB2 . 15732 1 290 . 1 1 31 31 LEU HD11 H 1 0.806 0.000 . . . . . . 31 L HD1 . 15732 1 291 . 1 1 31 31 LEU HD12 H 1 0.806 0.000 . . . . . . 31 L HD1 . 15732 1 292 . 1 1 31 31 LEU HD13 H 1 0.806 0.000 . . . . . . 31 L HD1 . 15732 1 293 . 1 1 31 31 LEU HD21 H 1 0.587 0.000 . . . . . . 31 L HD2 . 15732 1 294 . 1 1 31 31 LEU HD22 H 1 0.587 0.000 . . . . . . 31 L HD2 . 15732 1 295 . 1 1 31 31 LEU HD23 H 1 0.587 0.000 . . . . . . 31 L HD2 . 15732 1 296 . 1 1 31 31 LEU CA C 13 55.556 0.042 . . . . . . 31 L CA . 15732 1 297 . 1 1 31 31 LEU CB C 13 42.662 0.015 . . . . . . 31 L CB . 15732 1 298 . 1 1 31 31 LEU CD1 C 13 23.636 0.013 . . . . . . 31 L CD . 15732 1 299 . 1 1 31 31 LEU CD2 C 13 23.636 0.013 . . . . . . 31 L CD . 15732 1 300 . 1 1 31 31 LEU CG C 13 26.868 0.017 . . . . . . 31 L CG . 15732 1 301 . 1 1 31 31 LEU N N 15 127.779 0.029 . . . . . . 31 L N . 15732 1 302 . 1 1 32 32 LYS H H 1 8.186 0.007 . . . . . . 32 K HN . 15732 1 303 . 1 1 32 32 LYS HA H 1 4.489 0.001 . . . . . . 32 K HA . 15732 1 304 . 1 1 32 32 LYS HB2 H 1 1.583 0.006 . . . . . . 32 K HB# . 15732 1 305 . 1 1 32 32 LYS HB3 H 1 1.583 0.006 . . . . . . 32 K HB# . 15732 1 306 . 1 1 32 32 LYS HD2 H 1 1.302 0.000 . . . . . . 32 K HD# . 15732 1 307 . 1 1 32 32 LYS HD3 H 1 1.302 0.000 . . . . . . 32 K HD# . 15732 1 308 . 1 1 32 32 LYS HE2 H 1 2.905 0.009 . . . . . . 32 K HE# . 15732 1 309 . 1 1 32 32 LYS HE3 H 1 2.905 0.009 . . . . . . 32 K HE# . 15732 1 310 . 1 1 32 32 LYS HG2 H 1 1.212 0.000 . . . . . . 32 K HG# . 15732 1 311 . 1 1 32 32 LYS HG3 H 1 1.212 0.000 . . . . . . 32 K HG# . 15732 1 312 . 1 1 32 32 LYS CA C 13 54.151 0.031 . . . . . . 32 K CA . 15732 1 313 . 1 1 32 32 LYS CB C 13 32.536 0.272 . . . . . . 32 K CB . 15732 1 314 . 1 1 32 32 LYS CD C 13 28.924 0.000 . . . . . . 32 K CD . 15732 1 315 . 1 1 32 32 LYS CE C 13 42.085 0.000 . . . . . . 32 K CE . 15732 1 316 . 1 1 32 32 LYS CG C 13 24.506 0.000 . . . . . . 32 K CG . 15732 1 317 . 1 1 32 32 LYS N N 15 129.756 0.031 . . . . . . 32 K N . 15732 1 318 . 1 1 33 33 ILE H H 1 8.660 0.004 . . . . . . 33 I HN . 15732 1 319 . 1 1 33 33 ILE HB H 1 1.819 0.004 . . . . . . 33 I HB . 15732 1 320 . 1 1 33 33 ILE HD11 H 1 0.926 0.000 . . . . . . 33 I HD11 . 15732 1 321 . 1 1 33 33 ILE HD12 H 1 0.926 0.000 . . . . . . 33 I HD11 . 15732 1 322 . 1 1 33 33 ILE HD13 H 1 0.926 0.000 . . . . . . 33 I HD11 . 15732 1 323 . 1 1 33 33 ILE HG12 H 1 1.085 0.000 . . . . . . 33 I HG11 . 15732 1 324 . 1 1 33 33 ILE HG21 H 1 0.937 0.000 . . . . . . 33 I HG21 . 15732 1 325 . 1 1 33 33 ILE HG22 H 1 0.937 0.000 . . . . . . 33 I HG21 . 15732 1 326 . 1 1 33 33 ILE HG23 H 1 0.937 0.000 . . . . . . 33 I HG21 . 15732 1 327 . 1 1 33 33 ILE CA C 13 59.494 0.021 . . . . . . 33 I CA . 15732 1 328 . 1 1 33 33 ILE CB C 13 37.270 0.198 . . . . . . 33 I CB . 15732 1 329 . 1 1 33 33 ILE N N 15 127.011 0.012 . . . . . . 33 I N . 15732 1 330 . 1 1 34 34 PRO HA H 1 4.425 0.001 . . . . . . 34 P HA . 15732 1 331 . 1 1 34 34 PRO HB2 H 1 1.733 0.000 . . . . . . 34 P HB1 . 15732 1 332 . 1 1 34 34 PRO HB3 H 1 1.200 0.000 . . . . . . 34 P HB2 . 15732 1 333 . 1 1 34 34 PRO HD2 H 1 3.915 0.000 . . . . . . 34 P HD1 . 15732 1 334 . 1 1 34 34 PRO HD3 H 1 3.355 0.000 . . . . . . 34 P HD2 . 15732 1 335 . 1 1 34 34 PRO CA C 13 62.544 0.073 . . . . . . 34 P CA . 15732 1 336 . 1 1 34 34 PRO CB C 13 32.466 0.014 . . . . . . 34 P CB . 15732 1 337 . 1 1 34 34 PRO CD C 13 50.429 0.000 . . . . . . 34 P CD . 15732 1 338 . 1 1 34 34 PRO CG C 13 26.652 0.000 . . . . . . 34 P CG . 15732 1 339 . 1 1 35 35 HIS H H 1 8.212 0.005 . . . . . . 35 H HN . 15732 1 340 . 1 1 35 35 HIS HA H 1 5.162 0.015 . . . . . . 35 H HA . 15732 1 341 . 1 1 35 35 HIS HB2 H 1 2.839 0.065 . . . . . . 35 H HB1 . 15732 1 342 . 1 1 35 35 HIS HB3 H 1 2.720 0.092 . . . . . . 35 H HB2 . 15732 1 343 . 1 1 35 35 HIS CA C 13 54.889 0.164 . . . . . . 35 H CA . 15732 1 344 . 1 1 35 35 HIS CB C 13 32.573 0.013 . . . . . . 35 H CB . 15732 1 345 . 1 1 35 35 HIS N N 15 116.315 0.036 . . . . . . 35 H N . 15732 1 346 . 1 1 36 36 VAL H H 1 9.177 0.005 . . . . . . 36 V HN . 15732 1 347 . 1 1 36 36 VAL HA H 1 4.067 0.014 . . . . . . 36 V HA . 15732 1 348 . 1 1 36 36 VAL HB H 1 1.784 0.001 . . . . . . 36 V HB . 15732 1 349 . 1 1 36 36 VAL HG11 H 1 0.772 0.006 . . . . . . 36 V HG1# . 15732 1 350 . 1 1 36 36 VAL HG12 H 1 0.772 0.006 . . . . . . 36 V HG1# . 15732 1 351 . 1 1 36 36 VAL HG13 H 1 0.772 0.006 . . . . . . 36 V HG1# . 15732 1 352 . 1 1 36 36 VAL HG21 H 1 0.479 0.004 . . . . . . 36 V HG2# . 15732 1 353 . 1 1 36 36 VAL HG22 H 1 0.479 0.004 . . . . . . 36 V HG2# . 15732 1 354 . 1 1 36 36 VAL HG23 H 1 0.479 0.004 . . . . . . 36 V HG2# . 15732 1 355 . 1 1 36 36 VAL CA C 13 61.499 0.221 . . . . . . 36 V CA . 15732 1 356 . 1 1 36 36 VAL CB C 13 34.400 0.046 . . . . . . 36 V CB . 15732 1 357 . 1 1 36 36 VAL CG1 C 13 21.034 0.071 . . . . . . 36 V CG1 . 15732 1 358 . 1 1 36 36 VAL CG2 C 13 22.012 0.071 . . . . . . 36 V CG2 . 15732 1 359 . 1 1 36 36 VAL N N 15 123.252 0.029 . . . . . . 36 V N . 15732 1 360 . 1 1 37 37 GLU H H 1 9.286 0.004 . . . . . . 37 E HN . 15732 1 361 . 1 1 37 37 GLU HA H 1 3.798 0.006 . . . . . . 37 E HA . 15732 1 362 . 1 1 37 37 GLU HB2 H 1 2.222 0.016 . . . . . . 37 E HB# . 15732 1 363 . 1 1 37 37 GLU HB3 H 1 2.222 0.016 . . . . . . 37 E HB# . 15732 1 364 . 1 1 37 37 GLU HG2 H 1 2.372 0.008 . . . . . . 37 E HG# . 15732 1 365 . 1 1 37 37 GLU HG3 H 1 2.372 0.008 . . . . . . 37 E HG# . 15732 1 366 . 1 1 37 37 GLU CA C 13 57.410 0.233 . . . . . . 37 E CA . 15732 1 367 . 1 1 37 37 GLU CB C 13 27.769 0.249 . . . . . . 37 E CB . 15732 1 368 . 1 1 37 37 GLU CG C 13 36.916 0.000 . . . . . . 37 E CG . 15732 1 369 . 1 1 37 37 GLU N N 15 125.448 0.028 . . . . . . 37 E N . 15732 1 370 . 1 1 38 38 ARG H H 1 8.673 0.003 . . . . . . 38 R HN . 15732 1 371 . 1 1 38 38 ARG HA H 1 3.790 0.015 . . . . . . 38 R HA . 15732 1 372 . 1 1 38 38 ARG HB2 H 1 2.068 0.027 . . . . . . 38 R HB1 . 15732 1 373 . 1 1 38 38 ARG HB3 H 1 2.022 0.018 . . . . . . 38 R HB2 . 15732 1 374 . 1 1 38 38 ARG HD2 H 1 3.210 0.004 . . . . . . 38 R HD# . 15732 1 375 . 1 1 38 38 ARG HD3 H 1 3.210 0.004 . . . . . . 38 R HD# . 15732 1 376 . 1 1 38 38 ARG HG2 H 1 1.579 0.000 . . . . . . 38 R HG# . 15732 1 377 . 1 1 38 38 ARG HG3 H 1 1.579 0.000 . . . . . . 38 R HG# . 15732 1 378 . 1 1 38 38 ARG CA C 13 57.542 0.102 . . . . . . 38 R CA . 15732 1 379 . 1 1 38 38 ARG CB C 13 28.005 0.026 . . . . . . 38 R CB . 15732 1 380 . 1 1 38 38 ARG CD C 13 43.359 0.020 . . . . . . 38 R CD . 15732 1 381 . 1 1 38 38 ARG N N 15 109.122 0.014 . . . . . . 38 R N . 15732 1 382 . 1 1 39 39 LYS H H 1 8.187 0.003 . . . . . . 39 K HN . 15732 1 383 . 1 1 39 39 LYS HA H 1 4.680 0.005 . . . . . . 39 K HA . 15732 1 384 . 1 1 39 39 LYS HB2 H 1 1.920 0.002 . . . . . . 39 K HB# . 15732 1 385 . 1 1 39 39 LYS HB3 H 1 1.920 0.002 . . . . . . 39 K HB# . 15732 1 386 . 1 1 39 39 LYS HE2 H 1 2.815 0.009 . . . . . . 39 K HE# . 15732 1 387 . 1 1 39 39 LYS HE3 H 1 2.815 0.009 . . . . . . 39 K HE# . 15732 1 388 . 1 1 39 39 LYS HG2 H 1 1.496 0.010 . . . . . . 39 K HG# . 15732 1 389 . 1 1 39 39 LYS HG3 H 1 1.496 0.010 . . . . . . 39 K HG# . 15732 1 390 . 1 1 39 39 LYS CA C 13 54.601 0.282 . . . . . . 39 K CA . 15732 1 391 . 1 1 39 39 LYS CB C 13 34.803 0.274 . . . . . . 39 K CB . 15732 1 392 . 1 1 39 39 LYS CD C 13 29.163 0.000 . . . . . . 39 K CD . 15732 1 393 . 1 1 39 39 LYS CE C 13 42.116 0.000 . . . . . . 39 K CE . 15732 1 394 . 1 1 39 39 LYS CG C 13 24.498 0.000 . . . . . . 39 K CG . 15732 1 395 . 1 1 39 39 LYS N N 15 121.367 0.005 . . . . . . 39 K N . 15732 1 396 . 1 1 40 40 ILE H H 1 8.407 0.005 . . . . . . 40 I HN . 15732 1 397 . 1 1 40 40 ILE HA H 1 3.536 0.007 . . . . . . 40 I HA . 15732 1 398 . 1 1 40 40 ILE HB H 1 1.566 0.008 . . . . . . 40 I HB . 15732 1 399 . 1 1 40 40 ILE HD11 H 1 0.694 0.000 . . . . . . 40 I HD11 . 15732 1 400 . 1 1 40 40 ILE HD12 H 1 0.694 0.000 . . . . . . 40 I HD11 . 15732 1 401 . 1 1 40 40 ILE HD13 H 1 0.694 0.000 . . . . . . 40 I HD11 . 15732 1 402 . 1 1 40 40 ILE HG12 H 1 1.286 0.000 . . . . . . 40 I HG11 . 15732 1 403 . 1 1 40 40 ILE HG13 H 1 0.834 0.000 . . . . . . 40 I HG12 . 15732 1 404 . 1 1 40 40 ILE HG21 H 1 0.737 0.000 . . . . . . 40 I HG21 . 15732 1 405 . 1 1 40 40 ILE HG22 H 1 0.737 0.000 . . . . . . 40 I HG21 . 15732 1 406 . 1 1 40 40 ILE HG23 H 1 0.737 0.000 . . . . . . 40 I HG21 . 15732 1 407 . 1 1 40 40 ILE CA C 13 61.600 0.189 . . . . . . 40 I CA . 15732 1 408 . 1 1 40 40 ILE CB C 13 38.371 0.069 . . . . . . 40 I CB . 15732 1 409 . 1 1 40 40 ILE CD1 C 13 12.883 0.021 . . . . . . 40 I CD . 15732 1 410 . 1 1 40 40 ILE CG1 C 13 28.846 0.000 . . . . . . 40 I CG1 . 15732 1 411 . 1 1 40 40 ILE CG2 C 13 17.387 0.000 . . . . . . 40 I CG2 . 15732 1 412 . 1 1 40 40 ILE N N 15 123.850 0.017 . . . . . . 40 I N . 15732 1 413 . 1 1 41 41 LEU H H 1 8.269 0.005 . . . . . . 41 L HN . 15732 1 414 . 1 1 41 41 LEU HA H 1 4.340 0.006 . . . . . . 41 L HA . 15732 1 415 . 1 1 41 41 LEU HB2 H 1 1.702 0.022 . . . . . . 41 L HB# . 15732 1 416 . 1 1 41 41 LEU HB3 H 1 1.702 0.022 . . . . . . 41 L HB# . 15732 1 417 . 1 1 41 41 LEU HD11 H 1 1.004 0.066 . . . . . . 41 L HD11 . 15732 1 418 . 1 1 41 41 LEU HD12 H 1 1.004 0.066 . . . . . . 41 L HD11 . 15732 1 419 . 1 1 41 41 LEU HD13 H 1 1.004 0.066 . . . . . . 41 L HD11 . 15732 1 420 . 1 1 41 41 LEU HD21 H 1 0.876 0.000 . . . . . . 41 L HD21 . 15732 1 421 . 1 1 41 41 LEU HD22 H 1 0.876 0.000 . . . . . . 41 L HD21 . 15732 1 422 . 1 1 41 41 LEU HD23 H 1 0.876 0.000 . . . . . . 41 L HD21 . 15732 1 423 . 1 1 41 41 LEU HG H 1 1.642 0.000 . . . . . . 41 L HG . 15732 1 424 . 1 1 41 41 LEU CA C 13 54.597 0.018 . . . . . . 41 L CA . 15732 1 425 . 1 1 41 41 LEU CB C 13 42.967 0.283 . . . . . . 41 L CB . 15732 1 426 . 1 1 41 41 LEU CD1 C 13 24.034 0.000 . . . . . . 41 L CD# . 15732 1 427 . 1 1 41 41 LEU CD2 C 13 24.034 0.000 . . . . . . 41 L CD# . 15732 1 428 . 1 1 41 41 LEU CG C 13 26.743 0.000 . . . . . . 41 L CG . 15732 1 429 . 1 1 41 41 LEU N N 15 130.061 0.034 . . . . . . 41 L N . 15732 1 430 . 1 1 42 42 ASP H H 1 9.038 0.005 . . . . . . 42 D HN . 15732 1 431 . 1 1 42 42 ASP HA H 1 4.681 0.022 . . . . . . 42 D HA . 15732 1 432 . 1 1 42 42 ASP HB2 H 1 2.815 0.000 . . . . . . 42 D HB1 . 15732 1 433 . 1 1 42 42 ASP HB3 H 1 2.753 0.000 . . . . . . 42 D HB2 . 15732 1 434 . 1 1 42 42 ASP CA C 13 52.679 0.247 . . . . . . 42 D CA . 15732 1 435 . 1 1 42 42 ASP CB C 13 40.332 0.060 . . . . . . 42 D CB . 15732 1 436 . 1 1 42 42 ASP N N 15 127.447 0.032 . . . . . . 42 D N . 15732 1 437 . 1 1 43 43 LEU H H 1 8.249 0.004 . . . . . . 43 L HN . 15732 1 438 . 1 1 43 43 LEU HA H 1 4.060 0.009 . . . . . . 43 L HA . 15732 1 439 . 1 1 43 43 LEU HB2 H 1 1.702 0.000 . . . . . . 43 L HB# . 15732 1 440 . 1 1 43 43 LEU HB3 H 1 1.702 0.000 . . . . . . 43 L HB# . 15732 1 441 . 1 1 43 43 LEU HD11 H 1 0.885 0.000 . . . . . . 43 L HD11 . 15732 1 442 . 1 1 43 43 LEU HD12 H 1 0.885 0.000 . . . . . . 43 L HD11 . 15732 1 443 . 1 1 43 43 LEU HD13 H 1 0.885 0.000 . . . . . . 43 L HD11 . 15732 1 444 . 1 1 43 43 LEU HD21 H 1 0.830 0.000 . . . . . . 43 L HD21 . 15732 1 445 . 1 1 43 43 LEU HD22 H 1 0.830 0.000 . . . . . . 43 L HD21 . 15732 1 446 . 1 1 43 43 LEU HD23 H 1 0.830 0.000 . . . . . . 43 L HD21 . 15732 1 447 . 1 1 43 43 LEU HG H 1 1.600 0.000 . . . . . . 43 L HG . 15732 1 448 . 1 1 43 43 LEU CA C 13 57.333 0.230 . . . . . . 43 L CA . 15732 1 449 . 1 1 43 43 LEU CB C 13 43.212 0.075 . . . . . . 43 L CB . 15732 1 450 . 1 1 43 43 LEU CD1 C 13 22.394 0.000 . . . . . . 43 L CD# . 15732 1 451 . 1 1 43 43 LEU CD2 C 13 22.394 0.000 . . . . . . 43 L CD# . 15732 1 452 . 1 1 43 43 LEU CG C 13 26.902 0.000 . . . . . . 43 L CG . 15732 1 453 . 1 1 43 43 LEU N N 15 125.803 0.018 . . . . . . 43 L N . 15732 1 454 . 1 1 44 44 PHE H H 1 8.618 0.003 . . . . . . 44 F HN . 15732 1 455 . 1 1 44 44 PHE HA H 1 3.605 0.017 . . . . . . 44 F HA . 15732 1 456 . 1 1 44 44 PHE HB2 H 1 3.258 0.012 . . . . . . 44 F HB1 . 15732 1 457 . 1 1 44 44 PHE HB3 H 1 3.076 0.012 . . . . . . 44 F HB2 . 15732 1 458 . 1 1 44 44 PHE CA C 13 61.225 0.008 . . . . . . 44 F CA . 15732 1 459 . 1 1 44 44 PHE CB C 13 39.342 0.042 . . . . . . 44 F CB . 15732 1 460 . 1 1 44 44 PHE N N 15 119.138 0.037 . . . . . . 44 F N . 15732 1 461 . 1 1 45 45 GLN H H 1 8.143 0.003 . . . . . . 45 Q HN . 15732 1 462 . 1 1 45 45 GLN HA H 1 3.790 0.004 . . . . . . 45 Q HA . 15732 1 463 . 1 1 45 45 GLN HB2 H 1 2.059 0.017 . . . . . . 45 Q HB# . 15732 1 464 . 1 1 45 45 GLN HB3 H 1 2.059 0.017 . . . . . . 45 Q HB# . 15732 1 465 . 1 1 45 45 GLN HG2 H 1 2.408 0.009 . . . . . . 45 Q HG# . 15732 1 466 . 1 1 45 45 GLN HG3 H 1 2.408 0.009 . . . . . . 45 Q HG# . 15732 1 467 . 1 1 45 45 GLN CA C 13 58.099 0.038 . . . . . . 45 Q CA . 15732 1 468 . 1 1 45 45 GLN CB C 13 28.807 0.055 . . . . . . 45 Q CB . 15732 1 469 . 1 1 45 45 GLN CG C 13 33.430 0.000 . . . . . . 45 Q CG . 15732 1 470 . 1 1 45 45 GLN N N 15 121.173 0.021 . . . . . . 45 Q N . 15732 1 471 . 1 1 46 46 LEU H H 1 8.533 0.004 . . . . . . 46 L HN . 15732 1 472 . 1 1 46 46 LEU HA H 1 4.181 0.013 . . . . . . 46 L HA . 15732 1 473 . 1 1 46 46 LEU HB2 H 1 2.182 0.006 . . . . . . 46 L HB# . 15732 1 474 . 1 1 46 46 LEU HB3 H 1 2.182 0.006 . . . . . . 46 L HB# . 15732 1 475 . 1 1 46 46 LEU HD11 H 1 1.263 0.000 . . . . . . 46 L HD11 . 15732 1 476 . 1 1 46 46 LEU HD12 H 1 1.263 0.000 . . . . . . 46 L HD11 . 15732 1 477 . 1 1 46 46 LEU HD13 H 1 1.263 0.000 . . . . . . 46 L HD11 . 15732 1 478 . 1 1 46 46 LEU CA C 13 57.911 0.142 . . . . . . 46 L CA . 15732 1 479 . 1 1 46 46 LEU CB C 13 42.270 0.035 . . . . . . 46 L CB . 15732 1 480 . 1 1 46 46 LEU CD1 C 13 24.151 0.000 . . . . . . 46 L CD# . 15732 1 481 . 1 1 46 46 LEU CD2 C 13 24.151 0.000 . . . . . . 46 L CD# . 15732 1 482 . 1 1 46 46 LEU CG C 13 27.176 0.000 . . . . . . 46 L CG . 15732 1 483 . 1 1 46 46 LEU N N 15 118.827 0.022 . . . . . . 46 L N . 15732 1 484 . 1 1 47 47 ASN H H 1 8.078 0.010 . . . . . . 47 N HN . 15732 1 485 . 1 1 47 47 ASN HA H 1 4.615 0.012 . . . . . . 47 N HA . 15732 1 486 . 1 1 47 47 ASN HB2 H 1 2.865 0.011 . . . . . . 47 N HB1 . 15732 1 487 . 1 1 47 47 ASN HB3 H 1 2.702 0.005 . . . . . . 47 N HB2 . 15732 1 488 . 1 1 47 47 ASN CA C 13 56.936 0.246 . . . . . . 47 N CA . 15732 1 489 . 1 1 47 47 ASN CB C 13 39.758 0.037 . . . . . . 47 N CB . 15732 1 490 . 1 1 47 47 ASN N N 15 116.329 0.041 . . . . . . 47 N N . 15732 1 491 . 1 1 48 48 LYS H H 1 7.711 0.005 . . . . . . 48 K HN . 15732 1 492 . 1 1 48 48 LYS HA H 1 3.865 0.005 . . . . . . 48 K HA . 15732 1 493 . 1 1 48 48 LYS HB2 H 1 1.649 0.000 . . . . . . 48 K HB1 . 15732 1 494 . 1 1 48 48 LYS HB3 H 1 1.432 0.000 . . . . . . 48 K HB2 . 15732 1 495 . 1 1 48 48 LYS HD2 H 1 1.428 0.000 . . . . . . 48 K HD# . 15732 1 496 . 1 1 48 48 LYS HD3 H 1 1.428 0.000 . . . . . . 48 K HD# . 15732 1 497 . 1 1 48 48 LYS HE2 H 1 2.824 0.000 . . . . . . 48 K HE# . 15732 1 498 . 1 1 48 48 LYS HE3 H 1 2.824 0.000 . . . . . . 48 K HE# . 15732 1 499 . 1 1 48 48 LYS HG2 H 1 1.169 0.000 . . . . . . 48 K HG# . 15732 1 500 . 1 1 48 48 LYS HG3 H 1 1.169 0.000 . . . . . . 48 K HG# . 15732 1 501 . 1 1 48 48 LYS CA C 13 59.004 0.080 . . . . . . 48 K CA . 15732 1 502 . 1 1 48 48 LYS CB C 13 32.650 0.019 . . . . . . 48 K CB . 15732 1 503 . 1 1 48 48 LYS N N 15 119.390 0.013 . . . . . . 48 K N . 15732 1 504 . 1 1 49 49 LEU H H 1 8.662 0.005 . . . . . . 49 L HN . 15732 1 505 . 1 1 49 49 LEU HA H 1 4.026 0.002 . . . . . . 49 L HA . 15732 1 506 . 1 1 49 49 LEU HB2 H 1 1.958 0.020 . . . . . . 49 L HB1 . 15732 1 507 . 1 1 49 49 LEU HB3 H 1 1.273 0.000 . . . . . . 49 L HB2 . 15732 1 508 . 1 1 49 49 LEU HD11 H 1 0.911 0.000 . . . . . . 49 L HD11 . 15732 1 509 . 1 1 49 49 LEU HD12 H 1 0.911 0.000 . . . . . . 49 L HD11 . 15732 1 510 . 1 1 49 49 LEU HD13 H 1 0.911 0.000 . . . . . . 49 L HD11 . 15732 1 511 . 1 1 49 49 LEU HD21 H 1 0.913 0.000 . . . . . . 49 L HD21 . 15732 1 512 . 1 1 49 49 LEU HD22 H 1 0.913 0.000 . . . . . . 49 L HD21 . 15732 1 513 . 1 1 49 49 LEU HD23 H 1 0.913 0.000 . . . . . . 49 L HD21 . 15732 1 514 . 1 1 49 49 LEU HG H 1 1.952 0.000 . . . . . . 49 L HG . 15732 1 515 . 1 1 49 49 LEU CA C 13 57.763 0.076 . . . . . . 49 L CA . 15732 1 516 . 1 1 49 49 LEU CB C 13 42.922 0.013 . . . . . . 49 L CB . 15732 1 517 . 1 1 49 49 LEU CD1 C 13 23.121 0.000 . . . . . . 49 L CD1 . 15732 1 518 . 1 1 49 49 LEU CG C 13 27.383 0.000 . . . . . . 49 L CG . 15732 1 519 . 1 1 49 49 LEU N N 15 119.863 0.018 . . . . . . 49 L N . 15732 1 520 . 1 1 50 50 VAL H H 1 8.119 0.004 . . . . . . 50 V HN . 15732 1 521 . 1 1 50 50 VAL HA H 1 3.152 0.012 . . . . . . 50 V HA . 15732 1 522 . 1 1 50 50 VAL HB H 1 2.059 0.005 . . . . . . 50 V HB . 15732 1 523 . 1 1 50 50 VAL HG11 H 1 0.795 0.005 . . . . . . 50 V HG11 . 15732 1 524 . 1 1 50 50 VAL HG12 H 1 0.795 0.005 . . . . . . 50 V HG11 . 15732 1 525 . 1 1 50 50 VAL HG13 H 1 0.795 0.005 . . . . . . 50 V HG11 . 15732 1 526 . 1 1 50 50 VAL HG21 H 1 0.463 0.006 . . . . . . 50 V HG21 . 15732 1 527 . 1 1 50 50 VAL HG22 H 1 0.463 0.006 . . . . . . 50 V HG21 . 15732 1 528 . 1 1 50 50 VAL HG23 H 1 0.463 0.006 . . . . . . 50 V HG21 . 15732 1 529 . 1 1 50 50 VAL CA C 13 66.605 0.245 . . . . . . 50 V CA . 15732 1 530 . 1 1 50 50 VAL CB C 13 31.356 0.009 . . . . . . 50 V CB . 15732 1 531 . 1 1 50 50 VAL CG1 C 13 25.272 0.000 . . . . . . 50 V CG# . 15732 1 532 . 1 1 50 50 VAL CG2 C 13 25.272 0.000 . . . . . . 50 V CG# . 15732 1 533 . 1 1 50 50 VAL N N 15 117.869 0.022 . . . . . . 50 V N . 15732 1 534 . 1 1 51 51 ALA H H 1 7.379 0.005 . . . . . . 51 A HN . 15732 1 535 . 1 1 51 51 ALA HA H 1 3.985 0.020 . . . . . . 51 A HA . 15732 1 536 . 1 1 51 51 ALA HB1 H 1 1.484 0.000 . . . . . . 51 A HB1 . 15732 1 537 . 1 1 51 51 ALA HB2 H 1 1.484 0.000 . . . . . . 51 A HB1 . 15732 1 538 . 1 1 51 51 ALA HB3 H 1 1.484 0.000 . . . . . . 51 A HB1 . 15732 1 539 . 1 1 51 51 ALA CA C 13 55.612 0.061 . . . . . . 51 A CA . 15732 1 540 . 1 1 51 51 ALA CB C 13 18.194 0.000 . . . . . . 51 A CB . 15732 1 541 . 1 1 51 51 ALA N N 15 121.745 0.044 . . . . . . 51 A N . 15732 1 542 . 1 1 52 52 GLU H H 1 8.462 0.003 . . . . . . 52 E HN . 15732 1 543 . 1 1 52 52 GLU HA H 1 3.947 0.004 . . . . . . 52 E HA . 15732 1 544 . 1 1 52 52 GLU HB2 H 1 2.100 0.000 . . . . . . 52 E HB# . 15732 1 545 . 1 1 52 52 GLU HB3 H 1 2.100 0.000 . . . . . . 52 E HB# . 15732 1 546 . 1 1 52 52 GLU HG2 H 1 2.464 0.000 . . . . . . 52 E HG1 . 15732 1 547 . 1 1 52 52 GLU HG3 H 1 2.223 0.000 . . . . . . 52 E HG2 . 15732 1 548 . 1 1 52 52 GLU CA C 13 59.066 0.048 . . . . . . 52 E CA . 15732 1 549 . 1 1 52 52 GLU CB C 13 29.822 0.063 . . . . . . 52 E CB . 15732 1 550 . 1 1 52 52 GLU CG C 13 36.783 0.000 . . . . . . 52 E CG . 15732 1 551 . 1 1 52 52 GLU N N 15 120.455 0.033 . . . . . . 52 E N . 15732 1 552 . 1 1 53 53 GLU H H 1 7.464 0.003 . . . . . . 53 E HN . 15732 1 553 . 1 1 53 53 GLU HA H 1 4.205 0.000 . . . . . . 53 E HA . 15732 1 554 . 1 1 53 53 GLU HB2 H 1 2.010 0.000 . . . . . . 53 E HB1 . 15732 1 555 . 1 1 53 53 GLU HB3 H 1 1.480 0.000 . . . . . . 53 E HB2 . 15732 1 556 . 1 1 53 53 GLU HG2 H 1 2.303 0.000 . . . . . . 53 E HG1 . 15732 1 557 . 1 1 53 53 GLU HG3 H 1 1.901 0.000 . . . . . . 53 E HG2 . 15732 1 558 . 1 1 53 53 GLU CA C 13 55.493 0.038 . . . . . . 53 E CA . 15732 1 559 . 1 1 53 53 GLU CB C 13 30.133 0.035 . . . . . . 53 E CB . 15732 1 560 . 1 1 53 53 GLU CG C 13 35.408 0.000 . . . . . . 53 E CG . 15732 1 561 . 1 1 53 53 GLU N N 15 116.021 0.031 . . . . . . 53 E N . 15732 1 562 . 1 1 54 54 GLY H H 1 7.422 0.005 . . . . . . 54 G HN . 15732 1 563 . 1 1 54 54 GLY HA2 H 1 4.473 0.000 . . . . . . 54 G HA1 . 15732 1 564 . 1 1 54 54 GLY HA3 H 1 3.643 0.000 . . . . . . 54 G HA2 . 15732 1 565 . 1 1 54 54 GLY CA C 13 44.790 0.077 . . . . . . 54 G CA . 15732 1 566 . 1 1 54 54 GLY N N 15 105.101 0.019 . . . . . . 54 G N . 15732 1 567 . 1 1 55 55 GLY H H 1 8.462 0.004 . . . . . . 55 G HN . 15732 1 568 . 1 1 55 55 GLY HA2 H 1 4.579 0.000 . . . . . . 55 G HA1 . 15732 1 569 . 1 1 55 55 GLY HA3 H 1 3.675 0.000 . . . . . . 55 G HA2 . 15732 1 570 . 1 1 55 55 GLY CA C 13 43.653 0.056 . . . . . . 55 G CA . 15732 1 571 . 1 1 55 55 GLY N N 15 110.214 0.006 . . . . . . 55 G N . 15732 1 572 . 1 1 56 56 PHE H H 1 8.793 0.004 . . . . . . 56 F HN . 15732 1 573 . 1 1 56 56 PHE HA H 1 4.721 0.000 . . . . . . 56 F HA . 15732 1 574 . 1 1 56 56 PHE HB2 H 1 3.619 0.000 . . . . . . 56 F HB1 . 15732 1 575 . 1 1 56 56 PHE HB3 H 1 3.208 0.000 . . . . . . 56 F HB2 . 15732 1 576 . 1 1 56 56 PHE CA C 13 62.256 0.086 . . . . . . 56 F CA . 15732 1 577 . 1 1 56 56 PHE CB C 13 40.259 0.031 . . . . . . 56 F CB . 15732 1 578 . 1 1 56 56 PHE N N 15 119.257 0.034 . . . . . . 56 F N . 15732 1 579 . 1 1 57 57 ALA H H 1 8.761 0.003 . . . . . . 57 A HN . 15732 1 580 . 1 1 57 57 ALA HA H 1 3.884 0.000 . . . . . . 57 A HA . 15732 1 581 . 1 1 57 57 ALA HB1 H 1 1.502 0.004 . . . . . . 57 A HB1 . 15732 1 582 . 1 1 57 57 ALA HB2 H 1 1.502 0.004 . . . . . . 57 A HB1 . 15732 1 583 . 1 1 57 57 ALA HB3 H 1 1.502 0.004 . . . . . . 57 A HB1 . 15732 1 584 . 1 1 57 57 ALA CA C 13 55.713 0.059 . . . . . . 57 A CA . 15732 1 585 . 1 1 57 57 ALA CB C 13 17.702 0.009 . . . . . . 57 A CB . 15732 1 586 . 1 1 57 57 ALA N N 15 120.642 0.027 . . . . . . 57 A N . 15732 1 587 . 1 1 58 58 VAL H H 1 7.626 0.003 . . . . . . 58 V HN . 15732 1 588 . 1 1 58 58 VAL HA H 1 3.474 0.001 . . . . . . 58 V HA . 15732 1 589 . 1 1 58 58 VAL HB H 1 1.710 0.000 . . . . . . 58 V HB . 15732 1 590 . 1 1 58 58 VAL HG11 H 1 0.968 0.000 . . . . . . 58 V HG11 . 15732 1 591 . 1 1 58 58 VAL HG12 H 1 0.968 0.000 . . . . . . 58 V HG11 . 15732 1 592 . 1 1 58 58 VAL HG13 H 1 0.968 0.000 . . . . . . 58 V HG11 . 15732 1 593 . 1 1 58 58 VAL CA C 13 66.317 0.130 . . . . . . 58 V CA . 15732 1 594 . 1 1 58 58 VAL CB C 13 31.721 0.059 . . . . . . 58 V CB . 15732 1 595 . 1 1 58 58 VAL CG1 C 13 23.245 0.000 . . . . . . 58 V CG1 . 15732 1 596 . 1 1 58 58 VAL CG2 C 13 21.562 0.000 . . . . . . 58 V CG2 . 15732 1 597 . 1 1 58 58 VAL N N 15 120.629 0.018 . . . . . . 58 V N . 15732 1 598 . 1 1 59 59 VAL H H 1 8.137 0.005 . . . . . . 59 V HN . 15732 1 599 . 1 1 59 59 VAL HA H 1 2.930 0.011 . . . . . . 59 V HA . 15732 1 600 . 1 1 59 59 VAL HB H 1 1.284 0.002 . . . . . . 59 V HB . 15732 1 601 . 1 1 59 59 VAL HG11 H 1 0.496 0.002 . . . . . . 59 V HG1 . 15732 1 602 . 1 1 59 59 VAL HG12 H 1 0.496 0.002 . . . . . . 59 V HG1 . 15732 1 603 . 1 1 59 59 VAL HG13 H 1 0.496 0.002 . . . . . . 59 V HG1 . 15732 1 604 . 1 1 59 59 VAL CA C 13 66.532 0.166 . . . . . . 59 V CA . 15732 1 605 . 1 1 59 59 VAL CB C 13 30.825 0.107 . . . . . . 59 V CB . 15732 1 606 . 1 1 59 59 VAL CG1 C 13 25.462 0.000 . . . . . . 59 V CG1 . 15732 1 607 . 1 1 59 59 VAL CG2 C 13 19.017 0.000 . . . . . . 59 V CG2 . 15732 1 608 . 1 1 59 59 VAL N N 15 120.046 0.033 . . . . . . 59 V N . 15732 1 609 . 1 1 60 60 CYS H H 1 7.709 0.005 . . . . . . 60 C HN . 15732 1 610 . 1 1 60 60 CYS HA H 1 4.247 0.000 . . . . . . 60 C HA . 15732 1 611 . 1 1 60 60 CYS CA C 13 63.528 0.050 . . . . . . 60 C CA . 15732 1 612 . 1 1 60 60 CYS CB C 13 27.419 0.105 . . . . . . 60 C CB . 15732 1 613 . 1 1 60 60 CYS N N 15 113.502 0.016 . . . . . . 60 C N . 15732 1 614 . 1 1 61 61 LYS H H 1 8.331 0.003 . . . . . . 61 K HN . 15732 1 615 . 1 1 61 61 LYS HA H 1 3.961 0.000 . . . . . . 61 K HA . 15732 1 616 . 1 1 61 61 LYS HB2 H 1 1.808 0.000 . . . . . . 61 K HB# . 15732 1 617 . 1 1 61 61 LYS HB3 H 1 1.808 0.000 . . . . . . 61 K HB# . 15732 1 618 . 1 1 61 61 LYS HD2 H 1 1.654 0.000 . . . . . . 61 K HD# . 15732 1 619 . 1 1 61 61 LYS HD3 H 1 1.654 0.000 . . . . . . 61 K HD# . 15732 1 620 . 1 1 61 61 LYS HE2 H 1 2.957 0.000 . . . . . . 61 K HE# . 15732 1 621 . 1 1 61 61 LYS HE3 H 1 2.957 0.000 . . . . . . 61 K HE# . 15732 1 622 . 1 1 61 61 LYS HG2 H 1 1.654 0.000 . . . . . . 61 K HG1 . 15732 1 623 . 1 1 61 61 LYS HG3 H 1 1.472 0.000 . . . . . . 61 K HG2 . 15732 1 624 . 1 1 61 61 LYS CA C 13 59.660 0.054 . . . . . . 61 K CA . 15732 1 625 . 1 1 61 61 LYS CB C 13 32.596 0.039 . . . . . . 61 K CB . 15732 1 626 . 1 1 61 61 LYS CD C 13 29.241 0.000 . . . . . . 61 K CD . 15732 1 627 . 1 1 61 61 LYS CE C 13 41.921 0.000 . . . . . . 61 K CE . 15732 1 628 . 1 1 61 61 LYS CG C 13 24.198 0.000 . . . . . . 61 K CG . 15732 1 629 . 1 1 61 61 LYS N N 15 123.310 0.004 . . . . . . 61 K N . 15732 1 630 . 1 1 62 62 ASP H H 1 8.541 0.004 . . . . . . 62 D HN . 15732 1 631 . 1 1 62 62 ASP HA H 1 4.715 0.005 . . . . . . 62 D HA . 15732 1 632 . 1 1 62 62 ASP HB2 H 1 2.755 0.000 . . . . . . 62 D HB1 . 15732 1 633 . 1 1 62 62 ASP HB3 H 1 2.434 0.000 . . . . . . 62 D HB2 . 15732 1 634 . 1 1 62 62 ASP CA C 13 54.218 0.051 . . . . . . 62 D CA . 15732 1 635 . 1 1 62 62 ASP CB C 13 40.040 0.014 . . . . . . 62 D CB . 15732 1 636 . 1 1 62 62 ASP N N 15 116.468 0.037 . . . . . . 62 D N . 15732 1 637 . 1 1 63 63 ARG H H 1 7.577 0.004 . . . . . . 63 R HN . 15732 1 638 . 1 1 63 63 ARG HA H 1 4.071 0.005 . . . . . . 63 R HA . 15732 1 639 . 1 1 63 63 ARG HB2 H 1 2.186 0.000 . . . . . . 63 R HB1 . 15732 1 640 . 1 1 63 63 ARG HB3 H 1 1.916 0.000 . . . . . . 63 R HB2 . 15732 1 641 . 1 1 63 63 ARG HD2 H 1 3.311 0.000 . . . . . . 63 R HD# . 15732 1 642 . 1 1 63 63 ARG HD3 H 1 3.311 0.000 . . . . . . 63 R HD# . 15732 1 643 . 1 1 63 63 ARG CA C 13 57.214 0.000 . . . . . . 63 R CA . 15732 1 644 . 1 1 63 63 ARG CB C 13 26.775 0.000 . . . . . . 63 R CB . 15732 1 645 . 1 1 63 63 ARG N N 15 117.265 0.029 . . . . . . 63 R N . 15732 1 646 . 1 1 64 64 LYS H H 1 8.499 0.006 . . . . . . 64 K HN . 15732 1 647 . 1 1 64 64 LYS HA H 1 4.639 0.000 . . . . . . 64 K HA . 15732 1 648 . 1 1 64 64 LYS HB2 H 1 1.922 0.000 . . . . . . 64 K HB1 . 15732 1 649 . 1 1 64 64 LYS HD2 H 1 1.495 0.000 . . . . . . 64 K HD# . 15732 1 650 . 1 1 64 64 LYS HD3 H 1 1.495 0.000 . . . . . . 64 K HD# . 15732 1 651 . 1 1 64 64 LYS HE2 H 1 2.870 0.000 . . . . . . 64 K HE# . 15732 1 652 . 1 1 64 64 LYS HE3 H 1 2.870 0.000 . . . . . . 64 K HE# . 15732 1 653 . 1 1 64 64 LYS HG2 H 1 1.290 0.000 . . . . . . 64 K HG# . 15732 1 654 . 1 1 64 64 LYS HG3 H 1 1.290 0.000 . . . . . . 64 K HG# . 15732 1 655 . 1 1 64 64 LYS CA C 13 56.139 0.037 . . . . . . 64 K CA . 15732 1 656 . 1 1 64 64 LYS CB C 13 33.747 0.082 . . . . . . 64 K CB . 15732 1 657 . 1 1 64 64 LYS CD C 13 30.214 0.013 . . . . . . 64 K CD . 15732 1 658 . 1 1 64 64 LYS CE C 13 42.052 0.005 . . . . . . 64 K CE . 15732 1 659 . 1 1 64 64 LYS CG C 13 25.864 0.004 . . . . . . 64 K CG . 15732 1 660 . 1 1 64 64 LYS N N 15 115.247 0.013 . . . . . . 64 K N . 15732 1 661 . 1 1 65 65 TRP H H 1 7.776 0.005 . . . . . . 65 W HN . 15732 1 662 . 1 1 65 65 TRP CA C 13 60.923 0.016 . . . . . . 65 W CA . 15732 1 663 . 1 1 65 65 TRP CB C 13 28.436 0.016 . . . . . . 65 W CB . 15732 1 664 . 1 1 65 65 TRP N N 15 119.959 0.049 . . . . . . 65 W N . 15732 1 665 . 1 1 67 67 LYS H H 1 7.784 0.003 . . . . . . 67 K HN . 15732 1 666 . 1 1 67 67 LYS CA C 13 59.109 0.003 . . . . . . 67 K CA . 15732 1 667 . 1 1 67 67 LYS N N 15 125.347 0.012 . . . . . . 67 K N . 15732 1 668 . 1 1 68 68 ILE H H 1 8.204 0.198 . . . . . . 68 I HN . 15732 1 669 . 1 1 68 68 ILE CA C 13 63.684 0.074 . . . . . . 68 I CA . 15732 1 670 . 1 1 68 68 ILE CB C 13 37.212 0.002 . . . . . . 68 I CB . 15732 1 671 . 1 1 68 68 ILE N N 15 119.511 0.046 . . . . . . 68 I N . 15732 1 672 . 1 1 69 69 ALA H H 1 7.885 0.003 . . . . . . 69 A HN . 15732 1 673 . 1 1 69 69 ALA HA H 1 4.085 0.000 . . . . . . 69 A HA . 15732 1 674 . 1 1 69 69 ALA HB1 H 1 1.590 0.007 . . . . . . 69 A HB1 . 15732 1 675 . 1 1 69 69 ALA HB2 H 1 1.590 0.007 . . . . . . 69 A HB1 . 15732 1 676 . 1 1 69 69 ALA HB3 H 1 1.590 0.007 . . . . . . 69 A HB1 . 15732 1 677 . 1 1 69 69 ALA CA C 13 55.862 0.033 . . . . . . 69 A CA . 15732 1 678 . 1 1 69 69 ALA CB C 13 18.851 0.023 . . . . . . 69 A CB . 15732 1 679 . 1 1 69 69 ALA N N 15 124.877 0.044 . . . . . . 69 A N . 15732 1 680 . 1 1 70 70 THR H H 1 8.447 0.003 . . . . . . 70 T HN . 15732 1 681 . 1 1 70 70 THR CA C 13 65.815 0.000 . . . . . . 70 T CA . 15732 1 682 . 1 1 70 70 THR CB C 13 68.650 0.000 . . . . . . 70 T CB . 15732 1 683 . 1 1 70 70 THR N N 15 113.224 0.014 . . . . . . 70 T N . 15732 1 684 . 1 1 71 71 LYS H H 1 8.216 0.004 . . . . . . 71 K HN . 15732 1 685 . 1 1 71 71 LYS HA H 1 4.092 0.016 . . . . . . 71 K HA . 15732 1 686 . 1 1 71 71 LYS HB2 H 1 1.954 0.010 . . . . . . 71 K HB# . 15732 1 687 . 1 1 71 71 LYS HB3 H 1 1.954 0.010 . . . . . . 71 K HB# . 15732 1 688 . 1 1 71 71 LYS HD2 H 1 1.692 0.000 . . . . . . 71 K HD1 . 15732 1 689 . 1 1 71 71 LYS HD3 H 1 1.626 0.000 . . . . . . 71 K HD2 . 15732 1 690 . 1 1 71 71 LYS HE2 H 1 2.945 0.029 . . . . . . 71 K HE# . 15732 1 691 . 1 1 71 71 LYS HE3 H 1 2.945 0.029 . . . . . . 71 K HE# . 15732 1 692 . 1 1 71 71 LYS HG2 H 1 1.486 0.000 . . . . . . 71 K HG1 . 15732 1 693 . 1 1 71 71 LYS HG3 H 1 1.443 0.000 . . . . . . 71 K HG2 . 15732 1 694 . 1 1 71 71 LYS CA C 13 59.110 0.245 . . . . . . 71 K CA . 15732 1 695 . 1 1 71 71 LYS CB C 13 32.447 0.028 . . . . . . 71 K CB . 15732 1 696 . 1 1 71 71 LYS CD C 13 29.432 0.000 . . . . . . 71 K CD . 15732 1 697 . 1 1 71 71 LYS CE C 13 41.984 0.000 . . . . . . 71 K CE . 15732 1 698 . 1 1 71 71 LYS CG C 13 26.006 0.000 . . . . . . 71 K CG . 15732 1 699 . 1 1 71 71 LYS N N 15 125.430 0.027 . . . . . . 71 K N . 15732 1 700 . 1 1 72 72 MET H H 1 7.814 0.005 . . . . . . 72 M HN . 15732 1 701 . 1 1 72 72 MET HA H 1 4.218 0.002 . . . . . . 72 M HA . 15732 1 702 . 1 1 72 72 MET HB2 H 1 2.489 0.003 . . . . . . 72 M HB1 . 15732 1 703 . 1 1 72 72 MET HE1 H 1 2.248 0.000 . . . . . . 72 M HE1 . 15732 1 704 . 1 1 72 72 MET HE2 H 1 2.248 0.000 . . . . . . 72 M HE1 . 15732 1 705 . 1 1 72 72 MET HE3 H 1 2.248 0.000 . . . . . . 72 M HE1 . 15732 1 706 . 1 1 72 72 MET HG2 H 1 2.915 0.000 . . . . . . 72 M HG# . 15732 1 707 . 1 1 72 72 MET HG3 H 1 2.915 0.000 . . . . . . 72 M HG# . 15732 1 708 . 1 1 72 72 MET CA C 13 56.846 0.107 . . . . . . 72 M CA . 15732 1 709 . 1 1 72 72 MET CB C 13 33.983 0.028 . . . . . . 72 M CB . 15732 1 710 . 1 1 72 72 MET N N 15 116.133 0.017 . . . . . . 72 M N . 15732 1 711 . 1 1 73 73 GLY H H 1 7.799 0.005 . . . . . . 73 G HN . 15732 1 712 . 1 1 73 73 GLY HA2 H 1 4.076 0.000 . . . . . . 73 G HA1 . 15732 1 713 . 1 1 73 73 GLY HA3 H 1 3.699 0.000 . . . . . . 73 G HA2 . 15732 1 714 . 1 1 73 73 GLY CA C 13 45.230 0.009 . . . . . . 73 G CA . 15732 1 715 . 1 1 73 73 GLY N N 15 106.512 0.025 . . . . . . 73 G N . 15732 1 716 . 1 1 74 74 PHE H H 1 7.853 0.004 . . . . . . 74 F HN . 15732 1 717 . 1 1 74 74 PHE HA H 1 4.631 0.001 . . . . . . 74 F HA . 15732 1 718 . 1 1 74 74 PHE HB2 H 1 3.229 0.004 . . . . . . 74 F HB1 . 15732 1 719 . 1 1 74 74 PHE HB3 H 1 2.626 0.000 . . . . . . 74 F HB2 . 15732 1 720 . 1 1 74 74 PHE CA C 13 57.767 0.023 . . . . . . 74 F CA . 15732 1 721 . 1 1 74 74 PHE CB C 13 39.591 0.018 . . . . . . 74 F CB . 15732 1 722 . 1 1 74 74 PHE N N 15 119.780 0.018 . . . . . . 74 F N . 15732 1 723 . 1 1 75 75 ALA H H 1 9.170 0.004 . . . . . . 75 A HN . 15732 1 724 . 1 1 75 75 ALA CA C 13 50.596 0.000 . . . . . . 75 A CA . 15732 1 725 . 1 1 75 75 ALA CB C 13 17.851 0.000 . . . . . . 75 A CB . 15732 1 726 . 1 1 75 75 ALA N N 15 126.821 0.010 . . . . . . 75 A N . 15732 1 727 . 1 1 76 76 PRO HA H 1 4.406 0.005 . . . . . . 76 P HA . 15732 1 728 . 1 1 76 76 PRO HB2 H 1 1.994 0.000 . . . . . . 76 P HB1 . 15732 1 729 . 1 1 76 76 PRO HB3 H 1 2.064 0.005 . . . . . . 76 P HB2 . 15732 1 730 . 1 1 76 76 PRO HD2 H 1 3.797 0.000 . . . . . . 76 P HD1 . 15732 1 731 . 1 1 76 76 PRO HD3 H 1 3.646 0.000 . . . . . . 76 P HD2 . 15732 1 732 . 1 1 76 76 PRO HG2 H 1 1.994 0.000 . . . . . . 76 P HG1 . 15732 1 733 . 1 1 76 76 PRO HG3 H 1 1.861 0.000 . . . . . . 76 P HG2 . 15732 1 734 . 1 1 76 76 PRO CA C 13 62.916 0.065 . . . . . . 76 P CA . 15732 1 735 . 1 1 76 76 PRO CB C 13 31.087 0.056 . . . . . . 76 P CB . 15732 1 736 . 1 1 76 76 PRO CD C 13 50.237 0.000 . . . . . . 76 P CD . 15732 1 737 . 1 1 76 76 PRO CG C 13 27.505 0.000 . . . . . . 76 P CG . 15732 1 738 . 1 1 77 77 GLY H H 1 7.878 0.003 . . . . . . 77 G HN . 15732 1 739 . 1 1 77 77 GLY HA2 H 1 4.775 0.000 . . . . . . 77 G HA1 . 15732 1 740 . 1 1 77 77 GLY HA3 H 1 4.093 0.000 . . . . . . 77 G HA2 . 15732 1 741 . 1 1 77 77 GLY CA C 13 45.294 0.003 . . . . . . 77 G CA . 15732 1 742 . 1 1 77 77 GLY N N 15 108.344 0.037 . . . . . . 77 G N . 15732 1 743 . 1 1 79 79 ALA HA H 1 4.282 0.000 . . . . . . 79 A HA . 15732 1 744 . 1 1 79 79 ALA HB1 H 1 1.293 0.000 . . . . . . 79 A HB1 . 15732 1 745 . 1 1 79 79 ALA HB2 H 1 1.293 0.000 . . . . . . 79 A HB1 . 15732 1 746 . 1 1 79 79 ALA HB3 H 1 1.293 0.000 . . . . . . 79 A HB1 . 15732 1 747 . 1 1 79 79 ALA CA C 13 53.327 0.053 . . . . . . 79 A CA . 15732 1 748 . 1 1 79 79 ALA CB C 13 18.898 0.045 . . . . . . 79 A CB . 15732 1 749 . 1 1 80 80 VAL H H 1 7.743 0.002 . . . . . . 80 V HN . 15732 1 750 . 1 1 80 80 VAL HA H 1 3.752 0.000 . . . . . . 80 V HA . 15732 1 751 . 1 1 80 80 VAL HB H 1 2.094 0.000 . . . . . . 80 V HB . 15732 1 752 . 1 1 80 80 VAL HG11 H 1 0.835 0.000 . . . . . . 80 V HG# . 15732 1 753 . 1 1 80 80 VAL HG12 H 1 0.835 0.000 . . . . . . 80 V HG# . 15732 1 754 . 1 1 80 80 VAL HG13 H 1 0.835 0.000 . . . . . . 80 V HG# . 15732 1 755 . 1 1 80 80 VAL HG21 H 1 0.835 0.000 . . . . . . 80 V HG# . 15732 1 756 . 1 1 80 80 VAL HG22 H 1 0.835 0.000 . . . . . . 80 V HG# . 15732 1 757 . 1 1 80 80 VAL HG23 H 1 0.835 0.000 . . . . . . 80 V HG# . 15732 1 758 . 1 1 80 80 VAL CA C 13 65.623 0.061 . . . . . . 80 V CA . 15732 1 759 . 1 1 80 80 VAL CB C 13 31.465 0.024 . . . . . . 80 V CB . 15732 1 760 . 1 1 80 80 VAL N N 15 118.391 0.021 . . . . . . 80 V N . 15732 1 761 . 1 1 81 81 GLY H H 1 8.431 0.004 . . . . . . 81 G HN . 15732 1 762 . 1 1 81 81 GLY HA2 H 1 3.731 0.000 . . . . . . 81 G HA1 . 15732 1 763 . 1 1 81 81 GLY HA3 H 1 3.565 0.000 . . . . . . 81 G HA2 . 15732 1 764 . 1 1 81 81 GLY CA C 13 47.366 0.003 . . . . . . 81 G CA . 15732 1 765 . 1 1 81 81 GLY N N 15 108.744 0.015 . . . . . . 81 G N . 15732 1 766 . 1 1 82 82 SER H H 1 7.762 0.004 . . . . . . 82 S HN . 15732 1 767 . 1 1 82 82 SER HA H 1 3.926 0.000 . . . . . . 82 S HA . 15732 1 768 . 1 1 82 82 SER HB2 H 1 3.792 0.000 . . . . . . 82 S HB# . 15732 1 769 . 1 1 82 82 SER HB3 H 1 3.792 0.000 . . . . . . 82 S HB# . 15732 1 770 . 1 1 82 82 SER HG H 1 5.005 0.000 . . . . . . 82 S HG . 15732 1 771 . 1 1 82 82 SER CA C 13 61.157 0.000 . . . . . . 82 S CA . 15732 1 772 . 1 1 82 82 SER CB C 13 62.103 0.000 . . . . . . 82 S CB . 15732 1 773 . 1 1 82 82 SER N N 15 116.140 0.023 . . . . . . 82 S N . 15732 1 774 . 1 1 83 83 HIS H H 1 7.999 0.006 . . . . . . 83 H HN . 15732 1 775 . 1 1 83 83 HIS HA H 1 4.335 0.000 . . . . . . 83 H HA . 15732 1 776 . 1 1 83 83 HIS HB2 H 1 3.229 0.000 . . . . . . 83 H HB2 . 15732 1 777 . 1 1 83 83 HIS HB3 H 1 2.968 0.000 . . . . . . 83 H HB3 . 15732 1 778 . 1 1 83 83 HIS CA C 13 58.245 0.173 . . . . . . 83 H CA . 15732 1 779 . 1 1 83 83 HIS CB C 13 30.704 0.049 . . . . . . 83 H CB . 15732 1 780 . 1 1 83 83 HIS N N 15 122.909 0.004 . . . . . . 83 H N . 15732 1 781 . 1 1 84 84 ILE H H 1 8.270 0.004 . . . . . . 84 I HN . 15732 1 782 . 1 1 84 84 ILE HA H 1 3.718 0.000 . . . . . . 84 I HA . 15732 1 783 . 1 1 84 84 ILE HB H 1 2.115 0.000 . . . . . . 84 I HB . 15732 1 784 . 1 1 84 84 ILE HD11 H 1 -0.130 0.000 . . . . . . 84 I HD1# . 15732 1 785 . 1 1 84 84 ILE HD12 H 1 -0.130 0.000 . . . . . . 84 I HD1# . 15732 1 786 . 1 1 84 84 ILE HD13 H 1 -0.130 0.000 . . . . . . 84 I HD1# . 15732 1 787 . 1 1 84 84 ILE HG12 H 1 1.197 0.000 . . . . . . 84 I HG1# . 15732 1 788 . 1 1 84 84 ILE HG13 H 1 1.197 0.000 . . . . . . 84 I HG1# . 15732 1 789 . 1 1 84 84 ILE CA C 13 65.983 0.070 . . . . . . 84 I CA . 15732 1 790 . 1 1 84 84 ILE CB C 13 37.298 0.092 . . . . . . 84 I CB . 15732 1 791 . 1 1 84 84 ILE N N 15 117.758 0.039 . . . . . . 84 I N . 15732 1 792 . 1 1 85 85 ARG H H 1 7.796 0.005 . . . . . . 85 R HN . 15732 1 793 . 1 1 85 85 ARG CA C 13 59.050 0.039 . . . . . . 85 R CA . 15732 1 794 . 1 1 85 85 ARG CB C 13 28.561 0.056 . . . . . . 85 R CB . 15732 1 795 . 1 1 85 85 ARG N N 15 122.061 0.023 . . . . . . 85 R N . 15732 1 796 . 1 1 86 86 GLY H H 1 7.577 0.008 . . . . . . 86 G HN . 15732 1 797 . 1 1 86 86 GLY HA2 H 1 3.755 0.000 . . . . . . 86 G HA1 . 15732 1 798 . 1 1 86 86 GLY CA C 13 47.191 0.028 . . . . . . 86 G CA . 15732 1 799 . 1 1 86 86 GLY N N 15 105.202 0.032 . . . . . . 86 G N . 15732 1 800 . 1 1 87 87 HIS H H 1 7.571 0.005 . . . . . . 87 H HN . 15732 1 801 . 1 1 87 87 HIS HA H 1 4.698 0.001 . . . . . . 87 H HA . 15732 1 802 . 1 1 87 87 HIS HB2 H 1 2.884 0.000 . . . . . . 87 H HB1 . 15732 1 803 . 1 1 87 87 HIS HB3 H 1 2.666 0.000 . . . . . . 87 H HB2 . 15732 1 804 . 1 1 87 87 HIS CA C 13 59.088 0.006 . . . . . . 87 H CA . 15732 1 805 . 1 1 87 87 HIS CB C 13 31.342 0.045 . . . . . . 87 H CB . 15732 1 806 . 1 1 87 87 HIS N N 15 119.411 0.007 . . . . . . 87 H N . 15732 1 807 . 1 1 88 88 TYR H H 1 8.843 0.005 . . . . . . 88 Y HN . 15732 1 808 . 1 1 88 88 TYR CA C 13 63.140 0.022 . . . . . . 88 Y CA . 15732 1 809 . 1 1 88 88 TYR CB C 13 39.626 0.032 . . . . . . 88 Y CB . 15732 1 810 . 1 1 88 88 TYR N N 15 120.650 0.031 . . . . . . 88 Y N . 15732 1 811 . 1 1 89 89 GLU H H 1 9.240 0.001 . . . . . . 89 E HN . 15732 1 812 . 1 1 89 89 GLU HA H 1 3.588 0.003 . . . . . . 89 E HA . 15732 1 813 . 1 1 89 89 GLU HB2 H 1 2.340 0.000 . . . . . . 89 E HB# . 15732 1 814 . 1 1 89 89 GLU HB3 H 1 2.340 0.000 . . . . . . 89 E HB# . 15732 1 815 . 1 1 89 89 GLU HG2 H 1 2.495 0.000 . . . . . . 89 E HG# . 15732 1 816 . 1 1 89 89 GLU HG3 H 1 2.495 0.000 . . . . . . 89 E HG# . 15732 1 817 . 1 1 89 89 GLU CA C 13 60.388 0.056 . . . . . . 89 E CA . 15732 1 818 . 1 1 89 89 GLU CB C 13 30.474 0.058 . . . . . . 89 E CB . 15732 1 819 . 1 1 89 89 GLU CG C 13 37.753 0.000 . . . . . . 89 E CG . 15732 1 820 . 1 1 89 89 GLU N N 15 120.207 0.034 . . . . . . 89 E N . 15732 1 821 . 1 1 90 90 ARG H H 1 8.017 0.005 . . . . . . 90 R HN . 15732 1 822 . 1 1 90 90 ARG CA C 13 58.594 0.033 . . . . . . 90 R CA . 15732 1 823 . 1 1 90 90 ARG CB C 13 32.044 0.023 . . . . . . 90 R CB . 15732 1 824 . 1 1 90 90 ARG CD C 13 43.046 0.000 . . . . . . 90 R CD . 15732 1 825 . 1 1 90 90 ARG CG C 13 28.417 0.000 . . . . . . 90 R CG . 15732 1 826 . 1 1 90 90 ARG N N 15 114.818 0.011 . . . . . . 90 R N . 15732 1 827 . 1 1 91 91 ILE H H 1 8.103 0.007 . . . . . . 91 I HN . 15732 1 828 . 1 1 91 91 ILE CA C 13 63.654 0.013 . . . . . . 91 I CA . 15732 1 829 . 1 1 91 91 ILE CB C 13 40.568 0.050 . . . . . . 91 I CB . 15732 1 830 . 1 1 91 91 ILE N N 15 113.699 0.019 . . . . . . 91 I N . 15732 1 831 . 1 1 92 92 LEU H H 1 7.343 0.003 . . . . . . 92 L HN . 15732 1 832 . 1 1 92 92 LEU HA H 1 4.517 0.000 . . . . . . 92 L HA . 15732 1 833 . 1 1 92 92 LEU HB2 H 1 1.127 0.000 . . . . . . 92 L HB . 15732 1 834 . 1 1 92 92 LEU HB3 H 1 1.127 0.000 . . . . . . 92 L HB . 15732 1 835 . 1 1 92 92 LEU HD11 H 1 0.883 0.000 . . . . . . 92 L HD# . 15732 1 836 . 1 1 92 92 LEU HD12 H 1 0.883 0.000 . . . . . . 92 L HD# . 15732 1 837 . 1 1 92 92 LEU HD13 H 1 0.883 0.000 . . . . . . 92 L HD# . 15732 1 838 . 1 1 92 92 LEU HD21 H 1 0.883 0.000 . . . . . . 92 L HD# . 15732 1 839 . 1 1 92 92 LEU HD22 H 1 0.883 0.000 . . . . . . 92 L HD# . 15732 1 840 . 1 1 92 92 LEU HD23 H 1 0.883 0.000 . . . . . . 92 L HD# . 15732 1 841 . 1 1 92 92 LEU CA C 13 56.101 0.021 . . . . . . 92 L CA . 15732 1 842 . 1 1 92 92 LEU CB C 13 42.492 0.011 . . . . . . 92 L CB . 15732 1 843 . 1 1 92 92 LEU N N 15 117.070 0.020 . . . . . . 92 L N . 15732 1 844 . 1 1 93 93 ASN H H 1 8.202 0.004 . . . . . . 93 N HN . 15732 1 845 . 1 1 93 93 ASN N N 15 118.972 0.030 . . . . . . 93 N N . 15732 1 846 . 1 1 95 95 TYR CA C 13 59.805 0.007 . . . . . . 95 Y CA . 15732 1 847 . 1 1 95 95 TYR CB C 13 38.361 0.000 . . . . . . 95 Y CB . 15732 1 848 . 1 1 96 96 ASN H H 1 8.328 0.003 . . . . . . 96 N HN . 15732 1 849 . 1 1 96 96 ASN HA H 1 4.181 0.002 . . . . . . 96 N HA . 15732 1 850 . 1 1 96 96 ASN HB2 H 1 2.872 0.000 . . . . . . 96 N HB# . 15732 1 851 . 1 1 96 96 ASN HB3 H 1 2.872 0.000 . . . . . . 96 N HB# . 15732 1 852 . 1 1 96 96 ASN CA C 13 56.076 0.031 . . . . . . 96 N CA . 15732 1 853 . 1 1 96 96 ASN CB C 13 38.174 0.023 . . . . . . 96 N CB . 15732 1 854 . 1 1 96 96 ASN N N 15 118.118 0.017 . . . . . . 96 N N . 15732 1 855 . 1 1 97 97 LEU H H 1 8.241 0.003 . . . . . . 97 L HN . 15732 1 856 . 1 1 97 97 LEU HA H 1 4.083 0.007 . . . . . . 97 L HA . 15732 1 857 . 1 1 97 97 LEU HB2 H 1 1.747 0.003 . . . . . . 97 L HB1 . 15732 1 858 . 1 1 97 97 LEU HB3 H 1 1.451 0.003 . . . . . . 97 L HB2 . 15732 1 859 . 1 1 97 97 LEU HD11 H 1 0.868 0.000 . . . . . . 97 L HD11 . 15732 1 860 . 1 1 97 97 LEU HD12 H 1 0.868 0.000 . . . . . . 97 L HD11 . 15732 1 861 . 1 1 97 97 LEU HD13 H 1 0.868 0.000 . . . . . . 97 L HD11 . 15732 1 862 . 1 1 97 97 LEU HD21 H 1 0.885 0.000 . . . . . . 97 L HD21 . 15732 1 863 . 1 1 97 97 LEU HD22 H 1 0.885 0.000 . . . . . . 97 L HD21 . 15732 1 864 . 1 1 97 97 LEU HD23 H 1 0.885 0.000 . . . . . . 97 L HD21 . 15732 1 865 . 1 1 97 97 LEU HG H 1 1.754 0.000 . . . . . . 97 L HG . 15732 1 866 . 1 1 97 97 LEU CA C 13 57.682 0.000 . . . . . . 97 L CA . 15732 1 867 . 1 1 97 97 LEU CB C 13 46.877 7.544 . . . . . . 97 L CB . 15732 1 868 . 1 1 97 97 LEU CD1 C 13 25.387 0.000 . . . . . . 97 L CD1 . 15732 1 869 . 1 1 97 97 LEU CD2 C 13 23.067 0.000 . . . . . . 97 L CD2 . 15732 1 870 . 1 1 97 97 LEU CG C 13 27.160 0.024 . . . . . . 97 L CG . 15732 1 871 . 1 1 97 97 LEU N N 15 121.077 0.024 . . . . . . 97 L N . 15732 1 872 . 1 1 98 98 PHE H H 1 7.652 0.007 . . . . . . 98 F HN . 15732 1 873 . 1 1 98 98 PHE CA C 13 60.135 0.006 . . . . . . 98 F CA . 15732 1 874 . 1 1 98 98 PHE CB C 13 38.689 0.016 . . . . . . 98 F CB . 15732 1 875 . 1 1 98 98 PHE N N 15 123.109 0.016 . . . . . . 98 F N . 15732 1 876 . 1 1 100 100 SER HA H 1 4.293 0.006 . . . . . . 100 S HA . 15732 1 877 . 1 1 100 100 SER HB2 H 1 3.916 0.000 . . . . . . 100 S HB# . 15732 1 878 . 1 1 100 100 SER HB3 H 1 3.916 0.000 . . . . . . 100 S HB# . 15732 1 879 . 1 1 100 100 SER CA C 13 59.587 0.034 . . . . . . 100 S CA . 15732 1 880 . 1 1 100 100 SER CB C 13 63.633 0.020 . . . . . . 100 S CB . 15732 1 881 . 1 1 101 101 GLY H H 1 7.667 0.002 . . . . . . 101 G HN . 15732 1 882 . 1 1 101 101 GLY HA2 H 1 3.960 0.000 . . . . . . 101 G HA# . 15732 1 883 . 1 1 101 101 GLY HA3 H 1 3.960 0.000 . . . . . . 101 G HA# . 15732 1 884 . 1 1 101 101 GLY CA C 13 45.791 0.019 . . . . . . 101 G CA . 15732 1 885 . 1 1 101 101 GLY N N 15 109.331 0.005 . . . . . . 101 G N . 15732 1 886 . 1 1 102 102 ASP H H 1 8.068 0.002 . . . . . . 102 D HN . 15732 1 887 . 1 1 102 102 ASP HA H 1 4.573 0.000 . . . . . . 102 D HA . 15732 1 888 . 1 1 102 102 ASP HB2 H 1 2.621 0.000 . . . . . . 102 D HB# . 15732 1 889 . 1 1 102 102 ASP HB3 H 1 2.621 0.000 . . . . . . 102 D HB# . 15732 1 890 . 1 1 102 102 ASP CA C 13 54.924 0.129 . . . . . . 102 D CA . 15732 1 891 . 1 1 102 102 ASP CB C 13 41.672 0.041 . . . . . . 102 D CB . 15732 1 892 . 1 1 102 102 ASP N N 15 121.093 0.039 . . . . . . 102 D N . 15732 1 893 . 1 1 103 103 SER H H 1 8.210 0.004 . . . . . . 103 S HN . 15732 1 894 . 1 1 103 103 SER HA H 1 4.316 0.002 . . . . . . 103 S HA . 15732 1 895 . 1 1 103 103 SER HB2 H 1 3.863 0.002 . . . . . . 103 S HB# . 15732 1 896 . 1 1 103 103 SER HB3 H 1 3.863 0.002 . . . . . . 103 S HB# . 15732 1 897 . 1 1 103 103 SER HG H 1 4.789 0.009 . . . . . . 103 S HG . 15732 1 898 . 1 1 103 103 SER CA C 13 59.625 0.065 . . . . . . 103 S CA . 15732 1 899 . 1 1 103 103 SER CB C 13 63.398 0.001 . . . . . . 103 S CB . 15732 1 900 . 1 1 103 103 SER N N 15 115.672 0.025 . . . . . . 103 S N . 15732 1 901 . 1 1 104 104 LEU H H 1 8.041 0.004 . . . . . . 104 L HN . 15732 1 902 . 1 1 104 104 LEU CA C 13 55.831 0.029 . . . . . . 104 L CA . 15732 1 903 . 1 1 104 104 LEU CB C 13 41.894 0.021 . . . . . . 104 L CB . 15732 1 904 . 1 1 104 104 LEU N N 15 122.221 0.025 . . . . . . 104 L N . 15732 1 905 . 1 1 105 105 ARG H H 1 7.965 0.013 . . . . . . 105 R HN . 15732 1 906 . 1 1 105 105 ARG N N 15 120.104 0.004 . . . . . . 105 R N . 15732 1 stop_ save_