data_16572 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16572 _Entry.Title ; NMR solution structure of Lamin-B1 protein from Home sapiens: Northeast Structural Genomics Consortium target, HR5546A(438-548) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-21 _Entry.Accession_date 2009-10-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 'G. V. T.' Swapna . . . 16572 2 Gaetano Montelione . T. . 16572 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16572 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16572 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 16572 '15N chemical shifts' 134 16572 '1H chemical shifts' 824 16572 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-03 2009-10-21 update BMRB 'edit assembly name' 16572 1 . . 2009-10-22 2009-10-21 original author 'original release' 16572 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KPW 'BMRB Entry Tracking System' 16572 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16572 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR solution structure of Lamin-B1 protein from Home sapiens: Northeast Structural Genomics Consortium target, HR5546A(438-548)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 'G. V. T.' Swapna . . . 16572 1 2 Colleen Ciccosanti . . . 16572 1 3 Rachel Belote . L. . 16572 1 4 Keith Hamilton . . . 16572 1 5 Thomas Acton . . . 16572 1 6 Y Huang . . . 16572 1 7 Rong Xiao . . . 16572 1 8 John Everett . . . 16572 1 9 Gaetano Montelione . T. . 16572 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16572 _Assembly.ID 1 _Assembly.Name Lamin-B1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 Lamin-B1_protein 1 $Lamin-B1_protein A . yes native no no . . . 16572 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Lamin-B1_protein _Entity.Sf_category entity _Entity.Sf_framecode Lamin-B1_protein _Entity.Entry_ID 16572 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Lamin-B1_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHSHMTGNVCIEEI DVDGKFIRLKNTSEQDQPMG GWEMIRKIGDTSVSYKYTSR YVLKAGQTVTIWAANAGVTA SPPTDLIWKNQNSWGTGEDV KVILKNSQGEEVAQRSTVFK TT ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13672.427 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KPW . "Nmr Solution Structure Of Lamin-B1 Protein From Homo Sapiens: Northeast Structural Genomics Consortium Mega Target, Hr5546a (43" . . . . . 100.00 122 100.00 100.00 1.47e-84 . . . . 16572 1 2 no DBJ BAA08784 . "lamin B1 [Mus musculus]" . . . . . 90.98 588 99.10 100.00 1.23e-69 . . . . 16572 1 3 no DBJ BAK63580 . "lamin-B1 [Pan troglodytes]" . . . . . 90.98 586 99.10 99.10 3.56e-69 . . . . 16572 1 4 no EMBL CAA34677 . "unnamed protein product [Mus musculus]" . . . . . 90.98 588 99.10 100.00 1.88e-69 . . . . 16572 1 5 no GB AAB09600 . "lamin B1 [Rattus norvegicus]" . . . . . 90.98 587 98.20 100.00 2.21e-69 . . . . 16572 1 6 no GB AAC96023 . "lamin B [Mus musculus]" . . . . . 90.98 587 97.30 100.00 1.44e-68 . . . . 16572 1 7 no GB AAH52729 . "Lmnb1 protein [Mus musculus]" . . . . . 90.98 588 99.10 100.00 1.23e-69 . . . . 16572 1 8 no GB AAH58392 . "Lmnb1 protein [Mus musculus]" . . . . . 90.98 588 99.10 100.00 1.23e-69 . . . . 16572 1 9 no GB EDL09872 . "lamin B1, isoform CRA_a [Mus musculus]" . . . . . 90.98 588 99.10 100.00 1.23e-69 . . . . 16572 1 10 no REF NP_001267370 . "lamin-B1 [Pan troglodytes]" . . . . . 90.98 586 99.10 99.10 3.56e-69 . . . . 16572 1 11 no REF NP_034851 . "lamin-B1 [Mus musculus]" . . . . . 90.98 588 99.10 100.00 1.23e-69 . . . . 16572 1 12 no REF NP_446357 . "lamin-B1 [Rattus norvegicus]" . . . . . 90.98 587 98.20 100.00 2.21e-69 . . . . 16572 1 13 no REF XP_003259953 . "PREDICTED: lamin-B1 [Nomascus leucogenys]" . . . . . 90.98 587 98.20 99.10 1.41e-68 . . . . 16572 1 14 no REF XP_003477267 . "PREDICTED: lamin-B1 [Cavia porcellus]" . . . . . 90.98 376 98.20 100.00 6.29e-69 . . . . 16572 1 15 no SP P14733 . "RecName: Full=Lamin-B1; Flags: Precursor" . . . . . 90.98 588 99.10 100.00 1.23e-69 . . . . 16572 1 16 no SP P70615 . "RecName: Full=Lamin-B1; Flags: Precursor" . . . . . 90.98 587 98.20 100.00 2.21e-69 . . . . 16572 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 . 16572 1 2 . GLY . 16572 1 3 . HIS . 16572 1 4 . HIS . 16572 1 5 . HIS . 16572 1 6 . HIS . 16572 1 7 . HIS . 16572 1 8 . HIS . 16572 1 9 . SER . 16572 1 10 . HIS . 16572 1 11 . MET . 16572 1 12 . THR . 16572 1 13 . GLY . 16572 1 14 . ASN . 16572 1 15 . VAL . 16572 1 16 . CYS . 16572 1 17 . ILE . 16572 1 18 . GLU . 16572 1 19 . GLU . 16572 1 20 . ILE . 16572 1 21 . ASP . 16572 1 22 . VAL . 16572 1 23 . ASP . 16572 1 24 . GLY . 16572 1 25 . LYS . 16572 1 26 . PHE . 16572 1 27 . ILE . 16572 1 28 . ARG . 16572 1 29 . LEU . 16572 1 30 . LYS . 16572 1 31 . ASN . 16572 1 32 . THR . 16572 1 33 . SER . 16572 1 34 . GLU . 16572 1 35 . GLN . 16572 1 36 . ASP . 16572 1 37 . GLN . 16572 1 38 . PRO . 16572 1 39 . MET . 16572 1 40 . GLY . 16572 1 41 . GLY . 16572 1 42 . TRP . 16572 1 43 . GLU . 16572 1 44 . MET . 16572 1 45 . ILE . 16572 1 46 . ARG . 16572 1 47 . LYS . 16572 1 48 . ILE . 16572 1 49 . GLY . 16572 1 50 . ASP . 16572 1 51 . THR . 16572 1 52 . SER . 16572 1 53 . VAL . 16572 1 54 . SER . 16572 1 55 . TYR . 16572 1 56 . LYS . 16572 1 57 . TYR . 16572 1 58 . THR . 16572 1 59 . SER . 16572 1 60 . ARG . 16572 1 61 . TYR . 16572 1 62 . VAL . 16572 1 63 . LEU . 16572 1 64 . LYS . 16572 1 65 . ALA . 16572 1 66 . GLY . 16572 1 67 . GLN . 16572 1 68 . THR . 16572 1 69 . VAL . 16572 1 70 . THR . 16572 1 71 . ILE . 16572 1 72 . TRP . 16572 1 73 . ALA . 16572 1 74 . ALA . 16572 1 75 . ASN . 16572 1 76 . ALA . 16572 1 77 . GLY . 16572 1 78 . VAL . 16572 1 79 . THR . 16572 1 80 . ALA . 16572 1 81 . SER . 16572 1 82 . PRO . 16572 1 83 . PRO . 16572 1 84 . THR . 16572 1 85 . ASP . 16572 1 86 . LEU . 16572 1 87 . ILE . 16572 1 88 . TRP . 16572 1 89 . LYS . 16572 1 90 . ASN . 16572 1 91 . GLN . 16572 1 92 . ASN . 16572 1 93 . SER . 16572 1 94 . TRP . 16572 1 95 . GLY . 16572 1 96 . THR . 16572 1 97 . GLY . 16572 1 98 . GLU . 16572 1 99 . ASP . 16572 1 100 . VAL . 16572 1 101 . LYS . 16572 1 102 . VAL . 16572 1 103 . ILE . 16572 1 104 . LEU . 16572 1 105 . LYS . 16572 1 106 . ASN . 16572 1 107 . SER . 16572 1 108 . GLN . 16572 1 109 . GLY . 16572 1 110 . GLU . 16572 1 111 . GLU . 16572 1 112 . VAL . 16572 1 113 . ALA . 16572 1 114 . GLN . 16572 1 115 . ARG . 16572 1 116 . SER . 16572 1 117 . THR . 16572 1 118 . VAL . 16572 1 119 . PHE . 16572 1 120 . LYS . 16572 1 121 . THR . 16572 1 122 . THR . 16572 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 16572 1 . GLY 2 2 16572 1 . HIS 3 3 16572 1 . HIS 4 4 16572 1 . HIS 5 5 16572 1 . HIS 6 6 16572 1 . HIS 7 7 16572 1 . HIS 8 8 16572 1 . SER 9 9 16572 1 . HIS 10 10 16572 1 . MET 11 11 16572 1 . THR 12 12 16572 1 . GLY 13 13 16572 1 . ASN 14 14 16572 1 . VAL 15 15 16572 1 . CYS 16 16 16572 1 . ILE 17 17 16572 1 . GLU 18 18 16572 1 . GLU 19 19 16572 1 . ILE 20 20 16572 1 . ASP 21 21 16572 1 . VAL 22 22 16572 1 . ASP 23 23 16572 1 . GLY 24 24 16572 1 . LYS 25 25 16572 1 . PHE 26 26 16572 1 . ILE 27 27 16572 1 . ARG 28 28 16572 1 . LEU 29 29 16572 1 . LYS 30 30 16572 1 . ASN 31 31 16572 1 . THR 32 32 16572 1 . SER 33 33 16572 1 . GLU 34 34 16572 1 . GLN 35 35 16572 1 . ASP 36 36 16572 1 . GLN 37 37 16572 1 . PRO 38 38 16572 1 . MET 39 39 16572 1 . GLY 40 40 16572 1 . GLY 41 41 16572 1 . TRP 42 42 16572 1 . GLU 43 43 16572 1 . MET 44 44 16572 1 . ILE 45 45 16572 1 . ARG 46 46 16572 1 . LYS 47 47 16572 1 . ILE 48 48 16572 1 . GLY 49 49 16572 1 . ASP 50 50 16572 1 . THR 51 51 16572 1 . SER 52 52 16572 1 . VAL 53 53 16572 1 . SER 54 54 16572 1 . TYR 55 55 16572 1 . LYS 56 56 16572 1 . TYR 57 57 16572 1 . THR 58 58 16572 1 . SER 59 59 16572 1 . ARG 60 60 16572 1 . TYR 61 61 16572 1 . VAL 62 62 16572 1 . LEU 63 63 16572 1 . LYS 64 64 16572 1 . ALA 65 65 16572 1 . GLY 66 66 16572 1 . GLN 67 67 16572 1 . THR 68 68 16572 1 . VAL 69 69 16572 1 . THR 70 70 16572 1 . ILE 71 71 16572 1 . TRP 72 72 16572 1 . ALA 73 73 16572 1 . ALA 74 74 16572 1 . ASN 75 75 16572 1 . ALA 76 76 16572 1 . GLY 77 77 16572 1 . VAL 78 78 16572 1 . THR 79 79 16572 1 . ALA 80 80 16572 1 . SER 81 81 16572 1 . PRO 82 82 16572 1 . PRO 83 83 16572 1 . THR 84 84 16572 1 . ASP 85 85 16572 1 . LEU 86 86 16572 1 . ILE 87 87 16572 1 . TRP 88 88 16572 1 . LYS 89 89 16572 1 . ASN 90 90 16572 1 . GLN 91 91 16572 1 . ASN 92 92 16572 1 . SER 93 93 16572 1 . TRP 94 94 16572 1 . GLY 95 95 16572 1 . THR 96 96 16572 1 . GLY 97 97 16572 1 . GLU 98 98 16572 1 . ASP 99 99 16572 1 . VAL 100 100 16572 1 . LYS 101 101 16572 1 . VAL 102 102 16572 1 . ILE 103 103 16572 1 . LEU 104 104 16572 1 . LYS 105 105 16572 1 . ASN 106 106 16572 1 . SER 107 107 16572 1 . GLN 108 108 16572 1 . GLY 109 109 16572 1 . GLU 110 110 16572 1 . GLU 111 111 16572 1 . VAL 112 112 16572 1 . ALA 113 113 16572 1 . GLN 114 114 16572 1 . ARG 115 115 16572 1 . SER 116 116 16572 1 . THR 117 117 16572 1 . VAL 118 118 16572 1 . PHE 119 119 16572 1 . LYS 120 120 16572 1 . THR 121 121 16572 1 . THR 122 122 16572 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 16572 _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 $Lamin-B1_protein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . LMNB1 . . . . 16572 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 16572 _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 $Lamin-B1_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)+Magic . . . . . . . . . . . . Vector . . 'pET 14-15C' . . . . . . 16572 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_HR5546A_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode HR5546A_sample_1 _Sample.Entry_ID 16572 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.219mM Protein, 20mM NH4OAc, 200 mM NaCl, 5mM CaCl2, 10 mM DTT, 50 uM DSS' _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 'Lamin-B1 protein' '[U-100% 13C; U-100% 15N]' . . 1 $Lamin-B1_protein . . 1.219 . . mM 0.20 . . . 16572 1 2 NH4OAc 'natural abundance' . . . . . . 20 . . mM . . . . 16572 1 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 16572 1 4 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16572 1 5 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16572 1 stop_ save_ save_HR5546A_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode HR5546A_sample_2 _Sample.Entry_ID 16572 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.219mM Protein, 20mM NH4OAc, 200 mM NaCl, 5mM CaCl2, 10 mM DTT, 50 uM DSS' _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 'Lamin-B1 protein' '[U-5% 13C; U-100% 15N]' . . 1 $Lamin-B1_protein . . 1.219 . . mM 0.20 . . . 16572 2 2 NH4OAc 'natural abundance' . . . . . . 20 . . mM . . . . 16572 2 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 16572 2 4 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16572 2 5 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16572 2 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 16572 _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' 205 . mM 16572 1 pH 4.5 . pH 16572 1 pressure 1 . atm 16572 1 temperature 298 . K 16572 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16572 _Sample_condition_list.ID 2 _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' 205 . mM 16572 2 pH 4.5 . pH 16572 2 pressure 1 . atm 16572 2 temperature 298 . K 16572 2 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16572 _Software.ID 1 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16572 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16572 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16572 _Software.ID 2 _Software.Name AVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Moseley and Montelione' . . 16572 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment validation' 16572 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16572 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2008 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16572 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16572 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16572 _Software.ID 4 _Software.Name SPARKY _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16572 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16572 4 'peak picking' 16572 4 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16572 _Software.ID 5 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16572 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16572 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16572 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16572 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16572 6 'structure solution' 16572 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16572 _Software.ID 7 _Software.Name CNS _Software.Version 2.0.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16572 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16572 7 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16572 _Software.ID 8 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16572 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16572 8 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16572 _Software.ID 9 _Software.Name VNMRJ _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16572 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16572 9 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 16572 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with a cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16572 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with a cold probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16572 _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 'Equipped with a cold probe' . . 16572 1 2 spectrometer_2 Bruker Avance . 800 'Equipped with a cold probe' . . 16572 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 16572 _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 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 3 '3D HNCACB' yes . . . . . . . . . . 1 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 4 '3D GFT CBCA(CO)NH' yes . . . . . . . . . . 1 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 5 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 6 '3D HNCO' yes . . . . . . . . . . 1 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 7 '3D HNHA' yes . . . . . . . . . . 1 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 8 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16572 1 9 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16572 1 10 '3D 1H-13C NOESY aro' yes . . . . . . . . . . 1 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16572 1 11 '2D 1H-15N HSQC' yes . . . . . . . . . . 2 $HR5546A_sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 12 '2D 1H-13C HSQC' yes . . . . . . . . . . 2 $HR5546A_sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 13 '2D HNOE' yes . . . . . . . . . . 2 $HR5546A_sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 14 '3D (H)CCH-TOCSY' yes . . . . . . . . . . 1 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 15 '3D (H)CCH-TOCSY' yes . . . . . . . . . . 1 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 16 '2D 1H-13C HSQC aliph' yes . . . . . . . . . . 2 $HR5546A_sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16572 1 17 '2D 1H-15N HSQC' yes . . . . . . . . . . 2 $HR5546A_sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 18 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 19 '3D GFT HNCACB' yes . . . . . . . . . . 1 $HR5546A_sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16572 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_V600_NHhsqc.fid/ . . . . . . . 16572 1 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_V600_NHhsqc.fid/ . . . . . . . 16572 1 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_V600_NHhsqc.fid/ . . . . . . . 16572 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_V600_CHhsqc.fid/ . . . . . . . 16572 2 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_V600_CHhsqc.fid/ . . . . . . . 16572 2 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_V600_CHhsqc.fid/ . . . . . . . 16572 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_HNCACB_2.fid/ . . . . . . . 16572 3 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_HNCACB_2.fid/ . . . . . . . 16572 3 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_HNCACB_2.fid/ . . . . . . . 16572 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D GFT CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_GFT_CBCAcoNH/HR5546A_3D_GFT_CBCACAcoNH.fid/ . . . . . . . 16572 4 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_GFT_CBCAcoNH/HR5546A_3D_GFT_CBCACAcoNH.fid/ . . . . . . . 16572 4 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_GFT_CBCAcoNH/HR5546A_3D_GFT_CBCACAcoNH.fid/ . . . . . . . 16572 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_HBHAcoNH.fid/ . . . . . . . 16572 5 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_HBHAcoNH.fid/ . . . . . . . 16572 5 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_HBHAcoNH.fid/ . . . . . . . 16572 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_HNCO.fid/ . . . . . . . 16572 6 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_HNCO.fid/ . . . . . . . 16572 6 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_HNCO.fid/ . . . . . . . 16572 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_HNHA.fid/ . . . . . . . 16572 7 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_HNHA.fid/ . . . . . . . 16572 7 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_HNHA.fid/ . . . . . . . 16572 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_HCCH_TOCSY/ . . . . . . . 16572 8 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_HCCH_TOCSY/ . . . . . . . 16572 8 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_HCCH_TOCSY/ . . . . . . . 16572 8 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_HCCH_TOCSY/ . . . . . . . 16572 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_CN_NOESY/ . . . . . . . 16572 9 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_CN_NOESY/ . . . . . . . 16572 9 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_CN_NOESY/ . . . . . . . 16572 9 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_CN_NOESY/ . . . . . . . 16572 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 1H-13C NOESY aro' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_Aromatic_NOESY/ . . . . . . . 16572 10 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_Aromatic_NOESY/ . . . . . . . 16572 10 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_Aromatic_NOESY/ . . . . . . . 16572 10 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_Aromatic_NOESY/ . . . . . . . 16572 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '2D HNOE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_2D_HNOE_n.fid/ . . . . . . . 16572 11 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_2D_HNOE_n.fid/ . . . . . . . 16572 11 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_2D_HNOE_n.fid/ . . . . . . . 16572 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D (H)CCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_CCH_TOCSY.fid/ . . . . . . . 16572 12 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_CCH_TOCSY.fid/ . . . . . . . 16572 12 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_CCH_TOCSY.fid/ . . . . . . . 16572 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D (H)CCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_CCH_TOCSY/ . . . . . . . 16572 13 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_CCH_TOCSY/ . . . . . . . 16572 13 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_CCH_TOCSY/ . . . . . . . 16572 13 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_3D_CCH_TOCSY/ . . . . . . . 16572 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '2D 1H-13C HSQC aliph' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_B800_CHHSQC_alphatic/ . . . . . . . 16572 14 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_B800_CHHSQC_alphatic/ . . . . . . . 16572 14 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_B800_CHHSQC_alphatic/ . . . . . . . 16572 14 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_B800_CHHSQC_alphatic/ . . . . . . . 16572 14 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_B800_NHhsqc/ . . . . . . . 16572 15 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_B800_NHhsqc/ . . . . . . . 16572 15 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_B800_NHhsqc/ . . . . . . . 16572 15 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/B800/HR5546A_B800_NHhsqc/ . . . . . . . 16572 15 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_CBCAcoNH.fid/ . . . . . . . 16572 16 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_CBCAcoNH.fid/ . . . . . . . 16572 16 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_CBCAcoNH.fid/ . . . . . . . 16572 16 stop_ save_ save_NMR_spectrometer_expt_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_17 _NMR_spec_expt.Entry_ID 16572 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '3D GFT HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_GFT_HNCACB/HR5546A_3D_GFT_HNCACACB.fid/ . . . . . . . 16572 17 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_GFT_HNCACB/HR5546A_3D_GFT_HNCACACB.fid/ . . . . . . . 16572 17 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16572/timedomain_data/V600/HR5546A_3D_GFT_HNCACB/HR5546A_3D_GFT_HNCACACB.fid/ . . . . . . . 16572 17 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 16572 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.251449530 . . . 1 $citations . . 1 $citations 16572 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citations . . 1 $citations 16572 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . 1 $citations . . 1 $citations 16572 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16572 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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' . . . 16572 1 2 '2D 1H-13C HSQC' . . . 16572 1 3 '3D HNCACB' . . . 16572 1 4 '3D CBCA(CO)NH' . . . 16572 1 5 '3D HBHA(CO)NH' . . . 16572 1 6 '3D HNCO' . . . 16572 1 7 '3D HNHA' . . . 16572 1 8 '3D HCCH-TOCSY' . . . 16572 1 9 '3D 1H-15N NOESY' . . . 16572 1 10 '3D 1H-13C NOESY aro' . . . 16572 1 12 '2D 1H-13C HSQC' . . . 16572 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 $AutoAssign . . 16572 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 3 3 HIS H H 1 8.528 0.05 . 1 . . . . 3 HIS H . 16572 1 2 . 1 1 3 3 HIS HA H 1 4.626 0.05 . 1 . . . . 3 HIS HA . 16572 1 3 . 1 1 3 3 HIS HB2 H 1 3.04 0.05 . 2 . . . . 3 HIS HB2 . 16572 1 4 . 1 1 3 3 HIS HB3 H 1 3.14 0.05 . 2 . . . . 3 HIS HB3 . 16572 1 5 . 1 1 3 3 HIS CA C 13 55.26 0.5 . 1 . . . . 3 HIS CA . 16572 1 6 . 1 1 3 3 HIS CB C 13 29.25 0.5 . 1 . . . . 3 HIS CB . 16572 1 7 . 1 1 3 3 HIS N N 15 118.99 0.5 . 1 . . . . 3 HIS N . 16572 1 8 . 1 1 4 4 HIS H H 1 8.528 0.05 . 1 . . . . 4 HIS H . 16572 1 9 . 1 1 4 4 HIS HA H 1 4.624 0.05 . 1 . . . . 4 HIS HA . 16572 1 10 . 1 1 4 4 HIS HB2 H 1 3.05 0.05 . 2 . . . . 4 HIS HB2 . 16572 1 11 . 1 1 4 4 HIS HB3 H 1 3.11 0.05 . 2 . . . . 4 HIS HB3 . 16572 1 12 . 1 1 4 4 HIS CA C 13 55.277 0.5 . 1 . . . . 4 HIS CA . 16572 1 13 . 1 1 4 4 HIS CB C 13 29.002 0.5 . 1 . . . . 4 HIS CB . 16572 1 14 . 1 1 4 4 HIS N N 15 118.99 0.5 . 1 . . . . 4 HIS N . 16572 1 15 . 1 1 5 5 HIS H H 1 8.579 0.05 . 1 . . . . 5 HIS H . 16572 1 16 . 1 1 5 5 HIS HA H 1 4.737 0.05 . 1 . . . . 5 HIS HA . 16572 1 17 . 1 1 5 5 HIS HB2 H 1 3.249 0.05 . 2 . . . . 5 HIS HB2 . 16572 1 18 . 1 1 5 5 HIS HB3 H 1 3.249 0.05 . 2 . . . . 5 HIS HB3 . 16572 1 19 . 1 1 5 5 HIS CA C 13 55.33 0.5 . 1 . . . . 5 HIS CA . 16572 1 20 . 1 1 5 5 HIS CB C 13 29.257 0.5 . 1 . . . . 5 HIS CB . 16572 1 21 . 1 1 5 5 HIS N N 15 119.72 0.5 . 1 . . . . 5 HIS N . 16572 1 22 . 1 1 6 6 HIS H H 1 8.603 0.05 . 1 . . . . 6 HIS H . 16572 1 23 . 1 1 6 6 HIS HA H 1 4.674 0.05 . 1 . . . . 6 HIS HA . 16572 1 24 . 1 1 6 6 HIS HB2 H 1 3.157 0.05 . 2 . . . . 6 HIS HB2 . 16572 1 25 . 1 1 6 6 HIS HB3 H 1 3.157 0.05 . 2 . . . . 6 HIS HB3 . 16572 1 26 . 1 1 6 6 HIS CA C 13 55.15 0.5 . 1 . . . . 6 HIS CA . 16572 1 27 . 1 1 6 6 HIS CB C 13 27.34 0.5 . 1 . . . . 6 HIS CB . 16572 1 28 . 1 1 6 6 HIS N N 15 121.42 0.5 . 1 . . . . 6 HIS N . 16572 1 29 . 1 1 7 7 HIS H H 1 8.706 0.05 . 1 . . . . 7 HIS H . 16572 1 30 . 1 1 7 7 HIS HA H 1 4.658 0.05 . 1 . . . . 7 HIS HA . 16572 1 31 . 1 1 7 7 HIS HB2 H 1 3.157 0.05 . 2 . . . . 7 HIS HB2 . 16572 1 32 . 1 1 7 7 HIS HB3 H 1 3.157 0.05 . 2 . . . . 7 HIS HB3 . 16572 1 33 . 1 1 7 7 HIS CA C 13 55.1 0.5 . 1 . . . . 7 HIS CA . 16572 1 34 . 1 1 7 7 HIS CB C 13 29.3 0.5 . 1 . . . . 7 HIS CB . 16572 1 35 . 1 1 7 7 HIS N N 15 121.2 0.5 . 1 . . . . 7 HIS N . 16572 1 36 . 1 1 8 8 HIS H H 1 8.706 0.05 . 1 . . . . 8 HIS H . 16572 1 37 . 1 1 8 8 HIS HA H 1 4.706 0.05 . 1 . . . . 8 HIS HA . 16572 1 38 . 1 1 8 8 HIS HB2 H 1 3.178 0.05 . 2 . . . . 8 HIS HB2 . 16572 1 39 . 1 1 8 8 HIS HB3 H 1 3.180 0.05 . 2 . . . . 8 HIS HB3 . 16572 1 40 . 1 1 8 8 HIS CA C 13 55.156 0.5 . 1 . . . . 8 HIS CA . 16572 1 41 . 1 1 8 8 HIS CB C 13 29.396 0.5 . 1 . . . . 8 HIS CB . 16572 1 42 . 1 1 8 8 HIS N N 15 121.2 0.5 . 1 . . . . 8 HIS N . 16572 1 43 . 1 1 9 9 SER H H 1 8.551 0.05 . 1 . . . . 9 SER H . 16572 1 44 . 1 1 9 9 SER HA H 1 4.45 0.05 . 1 . . . . 9 SER HA . 16572 1 45 . 1 1 9 9 SER HB2 H 1 3.849 0.05 . 2 . . . . 9 SER HB2 . 16572 1 46 . 1 1 9 9 SER HB3 H 1 3.849 0.05 . 2 . . . . 9 SER HB3 . 16572 1 47 . 1 1 9 9 SER CA C 13 58.2 0.5 . 1 . . . . 9 SER CA . 16572 1 48 . 1 1 9 9 SER CB C 13 63.74 0.5 . 1 . . . . 9 SER CB . 16572 1 49 . 1 1 9 9 SER N N 15 118.046 0.5 . 1 . . . . 9 SER N . 16572 1 50 . 1 1 10 10 HIS H H 1 8.77 0.05 . 1 . . . . 10 HIS H . 16572 1 51 . 1 1 10 10 HIS HA H 1 4.726 0.05 . 1 . . . . 10 HIS HA . 16572 1 52 . 1 1 10 10 HIS HB2 H 1 3.194 0.05 . 2 . . . . 10 HIS HB2 . 16572 1 53 . 1 1 10 10 HIS HB3 H 1 3.194 0.05 . 2 . . . . 10 HIS HB3 . 16572 1 54 . 1 1 10 10 HIS CA C 13 55.640 0.5 . 1 . . . . 10 HIS CA . 16572 1 55 . 1 1 10 10 HIS CB C 13 29.172 0.5 . 1 . . . . 10 HIS CB . 16572 1 56 . 1 1 10 10 HIS N N 15 120.412 0.5 . 1 . . . . 10 HIS N . 16572 1 57 . 1 1 11 11 MET H H 1 8.528 0.05 . 1 . . . . 11 MET H . 16572 1 58 . 1 1 11 11 MET HA H 1 4.658 0.05 . 1 . . . . 11 MET HA . 16572 1 59 . 1 1 11 11 MET HB2 H 1 2.06 0.05 . 2 . . . . 11 MET HB2 . 16572 1 60 . 1 1 11 11 MET HB3 H 1 2.17 0.05 . 2 . . . . 11 MET HB3 . 16572 1 61 . 1 1 11 11 MET HE1 H 1 2.095 0.05 . 1 . . . . 11 MET HE . 16572 1 62 . 1 1 11 11 MET HE2 H 1 2.095 0.05 . 1 . . . . 11 MET HE . 16572 1 63 . 1 1 11 11 MET HE3 H 1 2.095 0.05 . 1 . . . . 11 MET HE . 16572 1 64 . 1 1 11 11 MET HG2 H 1 2.271 0.05 . 2 . . . . 11 MET HG2 . 16572 1 65 . 1 1 11 11 MET HG3 H 1 2.348 0.05 . 2 . . . . 11 MET HG3 . 16572 1 66 . 1 1 11 11 MET CA C 13 55.438 0.5 . 1 . . . . 11 MET CA . 16572 1 67 . 1 1 11 11 MET CB C 13 33.09 0.5 . 1 . . . . 11 MET CB . 16572 1 68 . 1 1 11 11 MET CE C 13 16.85 0.5 . 1 . . . . 11 MET CE . 16572 1 69 . 1 1 11 11 MET CG C 13 33.49 0.5 . 1 . . . . 11 MET CG . 16572 1 70 . 1 1 11 11 MET N N 15 122.4 0.5 . 1 . . . . 11 MET N . 16572 1 71 . 1 1 12 12 THR H H 1 8.339 0.05 . 1 . . . . 12 THR H . 16572 1 72 . 1 1 12 12 THR HA H 1 4.45 0.05 . 1 . . . . 12 THR HA . 16572 1 73 . 1 1 12 12 THR HB H 1 4.263 0.05 . 1 . . . . 12 THR HB . 16572 1 74 . 1 1 12 12 THR HG21 H 1 1.253 0.05 . 1 . . . . 12 THR HG2 . 16572 1 75 . 1 1 12 12 THR HG22 H 1 1.253 0.05 . 1 . . . . 12 THR HG2 . 16572 1 76 . 1 1 12 12 THR HG23 H 1 1.253 0.05 . 1 . . . . 12 THR HG2 . 16572 1 77 . 1 1 12 12 THR CA C 13 61.81 0.5 . 1 . . . . 12 THR CA . 16572 1 78 . 1 1 12 12 THR CB C 13 70.45 0.5 . 1 . . . . 12 THR CB . 16572 1 79 . 1 1 12 12 THR CG2 C 13 21.43 0.5 . 1 . . . . 12 THR CG2 . 16572 1 80 . 1 1 12 12 THR N N 15 115.7 0.5 . 1 . . . . 12 THR N . 16572 1 81 . 1 1 13 13 GLY H H 1 8.426 0.05 . 1 . . . . 13 GLY H . 16572 1 82 . 1 1 13 13 GLY HA2 H 1 4.287 0.05 . 2 . . . . 13 GLY HA2 . 16572 1 83 . 1 1 13 13 GLY HA3 H 1 3.877 0.05 . 2 . . . . 13 GLY HA3 . 16572 1 84 . 1 1 13 13 GLY CA C 13 45.243 0.5 . 1 . . . . 13 GLY CA . 16572 1 85 . 1 1 13 13 GLY N N 15 110.872 0.5 . 1 . . . . 13 GLY N . 16572 1 86 . 1 1 14 14 ASN H H 1 8.374 0.05 . 1 . . . . 14 ASN H . 16572 1 87 . 1 1 14 14 ASN HA H 1 4.72 0.05 . 1 . . . . 14 ASN HA . 16572 1 88 . 1 1 14 14 ASN HB2 H 1 2.82 0.05 . 2 . . . . 14 ASN HB2 . 16572 1 89 . 1 1 14 14 ASN HB3 H 1 2.935 0.05 . 2 . . . . 14 ASN HB3 . 16572 1 90 . 1 1 14 14 ASN HD21 H 1 7.041 0.05 . 2 . . . . 14 ASN HD21 . 16572 1 91 . 1 1 14 14 ASN HD22 H 1 7.47 0.05 . 2 . . . . 14 ASN HD22 . 16572 1 92 . 1 1 14 14 ASN CA C 13 54.2 0.5 . 1 . . . . 14 ASN CA . 16572 1 93 . 1 1 14 14 ASN CB C 13 39.21 0.5 . 1 . . . . 14 ASN CB . 16572 1 94 . 1 1 14 14 ASN N N 15 117.789 0.5 . 1 . . . . 14 ASN N . 16572 1 95 . 1 1 14 14 ASN ND2 N 15 112.3 0.5 . 1 . . . . 14 ASN ND2 . 16572 1 96 . 1 1 15 15 VAL H H 1 7.89 0.05 . 1 . . . . 15 VAL H . 16572 1 97 . 1 1 15 15 VAL HA H 1 4.843 0.05 . 1 . . . . 15 VAL HA . 16572 1 98 . 1 1 15 15 VAL HB H 1 1.927 0.05 . 1 . . . . 15 VAL HB . 16572 1 99 . 1 1 15 15 VAL HG11 H 1 0.688 0.05 . 2 . . . . 15 VAL HG1 . 16572 1 100 . 1 1 15 15 VAL HG12 H 1 0.688 0.05 . 2 . . . . 15 VAL HG1 . 16572 1 101 . 1 1 15 15 VAL HG13 H 1 0.688 0.05 . 2 . . . . 15 VAL HG1 . 16572 1 102 . 1 1 15 15 VAL HG21 H 1 0.807 0.05 . 2 . . . . 15 VAL HG2 . 16572 1 103 . 1 1 15 15 VAL HG22 H 1 0.807 0.05 . 2 . . . . 15 VAL HG2 . 16572 1 104 . 1 1 15 15 VAL HG23 H 1 0.807 0.05 . 2 . . . . 15 VAL HG2 . 16572 1 105 . 1 1 15 15 VAL CA C 13 61.759 0.5 . 1 . . . . 15 VAL CA . 16572 1 106 . 1 1 15 15 VAL CB C 13 33.23 0.5 . 1 . . . . 15 VAL CB . 16572 1 107 . 1 1 15 15 VAL CG1 C 13 22.09 0.5 . 2 . . . . 15 VAL CG1 . 16572 1 108 . 1 1 15 15 VAL CG2 C 13 21.73 0.5 . 2 . . . . 15 VAL CG2 . 16572 1 109 . 1 1 15 15 VAL N N 15 118.720 0.5 . 1 . . . . 15 VAL N . 16572 1 110 . 1 1 16 16 CYS H H 1 9.060 0.05 . 1 . . . . 16 CYS H . 16572 1 111 . 1 1 16 16 CYS HA H 1 4.899 0.05 . 1 . . . . 16 CYS HA . 16572 1 112 . 1 1 16 16 CYS HB2 H 1 2.947 0.05 . 2 . . . . 16 CYS HB2 . 16572 1 113 . 1 1 16 16 CYS HB3 H 1 3.02 0.05 . 2 . . . . 16 CYS HB3 . 16572 1 114 . 1 1 16 16 CYS CA C 13 54.62 0.5 . 1 . . . . 16 CYS CA . 16572 1 115 . 1 1 16 16 CYS CB C 13 30.9 0.5 . 1 . . . . 16 CYS CB . 16572 1 116 . 1 1 16 16 CYS N N 15 122.674 0.5 . 1 . . . . 16 CYS N . 16572 1 117 . 1 1 17 17 ILE H H 1 8.845 0.05 . 1 . . . . 17 ILE H . 16572 1 118 . 1 1 17 17 ILE HA H 1 4.153 0.05 . 1 . . . . 17 ILE HA . 16572 1 119 . 1 1 17 17 ILE HB H 1 1.736 0.05 . 1 . . . . 17 ILE HB . 16572 1 120 . 1 1 17 17 ILE HD11 H 1 0.682 0.05 . 1 . . . . 17 ILE HD1 . 16572 1 121 . 1 1 17 17 ILE HD12 H 1 0.682 0.05 . 1 . . . . 17 ILE HD1 . 16572 1 122 . 1 1 17 17 ILE HD13 H 1 0.682 0.05 . 1 . . . . 17 ILE HD1 . 16572 1 123 . 1 1 17 17 ILE HG12 H 1 1.429 0.05 . 2 . . . . 17 ILE HG12 . 16572 1 124 . 1 1 17 17 ILE HG13 H 1 1.429 0.05 . 2 . . . . 17 ILE HG13 . 16572 1 125 . 1 1 17 17 ILE HG21 H 1 0.660 0.05 . 1 . . . . 17 ILE HG2 . 16572 1 126 . 1 1 17 17 ILE HG22 H 1 0.660 0.05 . 1 . . . . 17 ILE HG2 . 16572 1 127 . 1 1 17 17 ILE HG23 H 1 0.660 0.05 . 1 . . . . 17 ILE HG2 . 16572 1 128 . 1 1 17 17 ILE CA C 13 61.08 0.5 . 1 . . . . 17 ILE CA . 16572 1 129 . 1 1 17 17 ILE CB C 13 36.397 0.5 . 1 . . . . 17 ILE CB . 16572 1 130 . 1 1 17 17 ILE CD1 C 13 14.554 0.5 . 1 . . . . 17 ILE CD1 . 16572 1 131 . 1 1 17 17 ILE CG1 C 13 27.23 0.5 . 1 . . . . 17 ILE CG1 . 16572 1 132 . 1 1 17 17 ILE CG2 C 13 18.364 0.5 . 1 . . . . 17 ILE CG2 . 16572 1 133 . 1 1 17 17 ILE N N 15 122.609 0.5 . 1 . . . . 17 ILE N . 16572 1 134 . 1 1 18 18 GLU H H 1 8.917 0.05 . 1 . . . . 18 GLU H . 16572 1 135 . 1 1 18 18 GLU HA H 1 4.23 0.05 . 1 . . . . 18 GLU HA . 16572 1 136 . 1 1 18 18 GLU HB2 H 1 1.74 0.05 . 2 . . . . 18 GLU HB2 . 16572 1 137 . 1 1 18 18 GLU HB3 H 1 1.77 0.05 . 2 . . . . 18 GLU HB3 . 16572 1 138 . 1 1 18 18 GLU HG2 H 1 2.25 0.05 . 2 . . . . 18 GLU HG2 . 16572 1 139 . 1 1 18 18 GLU HG3 H 1 2.25 0.05 . 2 . . . . 18 GLU HG3 . 16572 1 140 . 1 1 18 18 GLU CA C 13 57.16 0.5 . 1 . . . . 18 GLU CA . 16572 1 141 . 1 1 18 18 GLU CB C 13 30.55 0.5 . 1 . . . . 18 GLU CB . 16572 1 142 . 1 1 18 18 GLU CG C 13 34.18 0.5 . 1 . . . . 18 GLU CG . 16572 1 143 . 1 1 18 18 GLU N N 15 130.894 0.5 . 1 . . . . 18 GLU N . 16572 1 144 . 1 1 19 19 GLU H H 1 7.853 0.05 . 1 . . . . 19 GLU H . 16572 1 145 . 1 1 19 19 GLU HA H 1 4.47 0.05 . 1 . . . . 19 GLU HA . 16572 1 146 . 1 1 19 19 GLU HB2 H 1 1.802 0.05 . 2 . . . . 19 GLU HB2 . 16572 1 147 . 1 1 19 19 GLU HB3 H 1 2.181 0.05 . 2 . . . . 19 GLU HB3 . 16572 1 148 . 1 1 19 19 GLU HG2 H 1 2.030 0.05 . 2 . . . . 19 GLU HG2 . 16572 1 149 . 1 1 19 19 GLU HG3 H 1 2.370 0.05 . 2 . . . . 19 GLU HG3 . 16572 1 150 . 1 1 19 19 GLU CA C 13 56.11 0.5 . 1 . . . . 19 GLU CA . 16572 1 151 . 1 1 19 19 GLU CB C 13 33.847 0.5 . 1 . . . . 19 GLU CB . 16572 1 152 . 1 1 19 19 GLU CG C 13 35.383 0.5 . 1 . . . . 19 GLU CG . 16572 1 153 . 1 1 19 19 GLU N N 15 115.069 0.5 . 1 . . . . 19 GLU N . 16572 1 154 . 1 1 20 20 ILE H H 1 8.744 0.05 . 1 . . . . 20 ILE H . 16572 1 155 . 1 1 20 20 ILE HA H 1 4.080 0.05 . 1 . . . . 20 ILE HA . 16572 1 156 . 1 1 20 20 ILE HB H 1 1.687 0.05 . 1 . . . . 20 ILE HB . 16572 1 157 . 1 1 20 20 ILE HD11 H 1 0.754 0.05 . 1 . . . . 20 ILE HD1 . 16572 1 158 . 1 1 20 20 ILE HD12 H 1 0.754 0.05 . 1 . . . . 20 ILE HD1 . 16572 1 159 . 1 1 20 20 ILE HD13 H 1 0.754 0.05 . 1 . . . . 20 ILE HD1 . 16572 1 160 . 1 1 20 20 ILE HG12 H 1 0.751 0.05 . 2 . . . . 20 ILE HG12 . 16572 1 161 . 1 1 20 20 ILE HG13 H 1 0.751 0.05 . 2 . . . . 20 ILE HG13 . 16572 1 162 . 1 1 20 20 ILE HG21 H 1 0.952 0.05 . 1 . . . . 20 ILE HG2 . 16572 1 163 . 1 1 20 20 ILE HG22 H 1 0.952 0.05 . 1 . . . . 20 ILE HG2 . 16572 1 164 . 1 1 20 20 ILE HG23 H 1 0.952 0.05 . 1 . . . . 20 ILE HG2 . 16572 1 165 . 1 1 20 20 ILE CA C 13 60.619 0.5 . 1 . . . . 20 ILE CA . 16572 1 166 . 1 1 20 20 ILE CB C 13 39.17 0.5 . 1 . . . . 20 ILE CB . 16572 1 167 . 1 1 20 20 ILE CD1 C 13 14.186 0.5 . 1 . . . . 20 ILE CD1 . 16572 1 168 . 1 1 20 20 ILE CG1 C 13 27.544 0.5 . 1 . . . . 20 ILE CG1 . 16572 1 169 . 1 1 20 20 ILE CG2 C 13 17.63 0.5 . 1 . . . . 20 ILE CG2 . 16572 1 170 . 1 1 20 20 ILE N N 15 127.309 0.5 . 1 . . . . 20 ILE N . 16572 1 171 . 1 1 21 21 ASP H H 1 7.468 0.05 . 1 . . . . 21 ASP H . 16572 1 172 . 1 1 21 21 ASP HA H 1 3.949 0.05 . 1 . . . . 21 ASP HA . 16572 1 173 . 1 1 21 21 ASP HB2 H 1 0.366 0.05 . 2 . . . . 21 ASP HB2 . 16572 1 174 . 1 1 21 21 ASP HB3 H 1 1.842 0.05 . 2 . . . . 21 ASP HB3 . 16572 1 175 . 1 1 21 21 ASP CA C 13 54.97 0.5 . 1 . . . . 21 ASP CA . 16572 1 176 . 1 1 21 21 ASP CB C 13 42.17 0.5 . 1 . . . . 21 ASP CB . 16572 1 177 . 1 1 21 21 ASP N N 15 124.858 0.5 . 1 . . . . 21 ASP N . 16572 1 178 . 1 1 22 22 VAL H H 1 8.65 0.05 . 1 . . . . 22 VAL H . 16572 1 179 . 1 1 22 22 VAL HA H 1 3.998 0.05 . 1 . . . . 22 VAL HA . 16572 1 180 . 1 1 22 22 VAL HB H 1 2.215 0.05 . 1 . . . . 22 VAL HB . 16572 1 181 . 1 1 22 22 VAL HG11 H 1 1.057 0.05 . 2 . . . . 22 VAL HG1 . 16572 1 182 . 1 1 22 22 VAL HG12 H 1 1.057 0.05 . 2 . . . . 22 VAL HG1 . 16572 1 183 . 1 1 22 22 VAL HG13 H 1 1.057 0.05 . 2 . . . . 22 VAL HG1 . 16572 1 184 . 1 1 22 22 VAL HG21 H 1 1.057 0.05 . 2 . . . . 22 VAL HG2 . 16572 1 185 . 1 1 22 22 VAL HG22 H 1 1.057 0.05 . 2 . . . . 22 VAL HG2 . 16572 1 186 . 1 1 22 22 VAL HG23 H 1 1.057 0.05 . 2 . . . . 22 VAL HG2 . 16572 1 187 . 1 1 22 22 VAL CA C 13 64.445 0.5 . 1 . . . . 22 VAL CA . 16572 1 188 . 1 1 22 22 VAL CB C 13 31.244 0.5 . 1 . . . . 22 VAL CB . 16572 1 189 . 1 1 22 22 VAL CG1 C 13 20.355 0.5 . 2 . . . . 22 VAL CG1 . 16572 1 190 . 1 1 22 22 VAL CG2 C 13 20.355 0.5 . 2 . . . . 22 VAL CG2 . 16572 1 191 . 1 1 22 22 VAL N N 15 130.172 0.5 . 1 . . . . 22 VAL N . 16572 1 192 . 1 1 23 23 ASP H H 1 7.482 0.05 . 1 . . . . 23 ASP H . 16572 1 193 . 1 1 23 23 ASP HA H 1 4.711 0.05 . 1 . . . . 23 ASP HA . 16572 1 194 . 1 1 23 23 ASP HB2 H 1 2.812 0.05 . 2 . . . . 23 ASP HB2 . 16572 1 195 . 1 1 23 23 ASP HB3 H 1 2.812 0.05 . 2 . . . . 23 ASP HB3 . 16572 1 196 . 1 1 23 23 ASP CA C 13 53.92 0.5 . 1 . . . . 23 ASP CA . 16572 1 197 . 1 1 23 23 ASP CB C 13 40.100 0.5 . 1 . . . . 23 ASP CB . 16572 1 198 . 1 1 23 23 ASP N N 15 118.547 0.5 . 1 . . . . 23 ASP N . 16572 1 199 . 1 1 24 24 GLY H H 1 7.22 0.05 . 1 . . . . 24 GLY H . 16572 1 200 . 1 1 24 24 GLY HA2 H 1 2.95 0.05 . 2 . . . . 24 GLY HA2 . 16572 1 201 . 1 1 24 24 GLY HA3 H 1 2.407 0.05 . 2 . . . . 24 GLY HA3 . 16572 1 202 . 1 1 24 24 GLY CA C 13 45.04 0.5 . 1 . . . . 24 GLY CA . 16572 1 203 . 1 1 24 24 GLY N N 15 105.293 0.5 . 1 . . . . 24 GLY N . 16572 1 204 . 1 1 25 25 LYS H H 1 8.757 0.05 . 1 . . . . 25 LYS H . 16572 1 205 . 1 1 25 25 LYS HA H 1 3.964 0.05 . 1 . . . . 25 LYS HA . 16572 1 206 . 1 1 25 25 LYS HB2 H 1 2.105 0.05 . 2 . . . . 25 LYS HB2 . 16572 1 207 . 1 1 25 25 LYS HB3 H 1 2.105 0.05 . 2 . . . . 25 LYS HB3 . 16572 1 208 . 1 1 25 25 LYS HD2 H 1 1.772 0.05 . 2 . . . . 25 LYS HD2 . 16572 1 209 . 1 1 25 25 LYS HD3 H 1 1.772 0.05 . 2 . . . . 25 LYS HD3 . 16572 1 210 . 1 1 25 25 LYS HE2 H 1 3.019 0.05 . 2 . . . . 25 LYS HE2 . 16572 1 211 . 1 1 25 25 LYS HE3 H 1 3.019 0.05 . 2 . . . . 25 LYS HE3 . 16572 1 212 . 1 1 25 25 LYS HG2 H 1 1.33 0.05 . 2 . . . . 25 LYS HG2 . 16572 1 213 . 1 1 25 25 LYS HG3 H 1 1.194 0.05 . 2 . . . . 25 LYS HG3 . 16572 1 214 . 1 1 25 25 LYS CA C 13 56.59 0.5 . 1 . . . . 25 LYS CA . 16572 1 215 . 1 1 25 25 LYS CB C 13 33.66 0.5 . 1 . . . . 25 LYS CB . 16572 1 216 . 1 1 25 25 LYS CD C 13 29.16 0.5 . 1 . . . . 25 LYS CD . 16572 1 217 . 1 1 25 25 LYS CE C 13 41.92 0.5 . 1 . . . . 25 LYS CE . 16572 1 218 . 1 1 25 25 LYS CG C 13 25.37 0.5 . 1 . . . . 25 LYS CG . 16572 1 219 . 1 1 25 25 LYS N N 15 111.753 0.5 . 1 . . . . 25 LYS N . 16572 1 220 . 1 1 26 26 PHE H H 1 6.380 0.05 . 1 . . . . 26 PHE H . 16572 1 221 . 1 1 26 26 PHE HA H 1 5.753 0.05 . 1 . . . . 26 PHE HA . 16572 1 222 . 1 1 26 26 PHE HB2 H 1 2.230 0.05 . 2 . . . . 26 PHE HB2 . 16572 1 223 . 1 1 26 26 PHE HB3 H 1 1.865 0.05 . 2 . . . . 26 PHE HB3 . 16572 1 224 . 1 1 26 26 PHE HD1 H 1 6.51 0.05 . 3 . . . . 26 PHE HD1 . 16572 1 225 . 1 1 26 26 PHE HD2 H 1 6.51 0.05 . 3 . . . . 26 PHE HD2 . 16572 1 226 . 1 1 26 26 PHE HE1 H 1 6.911 0.05 . 3 . . . . 26 PHE HE1 . 16572 1 227 . 1 1 26 26 PHE HE2 H 1 6.911 0.05 . 3 . . . . 26 PHE HE2 . 16572 1 228 . 1 1 26 26 PHE HZ H 1 7.15 0.05 . 1 . . . . 26 PHE HZ . 16572 1 229 . 1 1 26 26 PHE CA C 13 56.37 0.5 . 1 . . . . 26 PHE CA . 16572 1 230 . 1 1 26 26 PHE CB C 13 40.03 0.5 . 1 . . . . 26 PHE CB . 16572 1 231 . 1 1 26 26 PHE CD1 C 13 132.9 0.5 . 3 . . . . 26 PHE CD1 . 16572 1 232 . 1 1 26 26 PHE CD2 C 13 132.9 0.5 . 3 . . . . 26 PHE CD2 . 16572 1 233 . 1 1 26 26 PHE CE1 C 13 130.0 0.5 . 3 . . . . 26 PHE CE1 . 16572 1 234 . 1 1 26 26 PHE CE2 C 13 130.0 0.5 . 3 . . . . 26 PHE CE2 . 16572 1 235 . 1 1 26 26 PHE CZ C 13 130.0 0.5 . 1 . . . . 26 PHE CZ . 16572 1 236 . 1 1 26 26 PHE N N 15 110.097 0.5 . 1 . . . . 26 PHE N . 16572 1 237 . 1 1 27 27 ILE H H 1 8.601 0.05 . 1 . . . . 27 ILE H . 16572 1 238 . 1 1 27 27 ILE HA H 1 4.506 0.05 . 1 . . . . 27 ILE HA . 16572 1 239 . 1 1 27 27 ILE HB H 1 1.422 0.05 . 1 . . . . 27 ILE HB . 16572 1 240 . 1 1 27 27 ILE HD11 H 1 0.887 0.05 . 1 . . . . 27 ILE HD1 . 16572 1 241 . 1 1 27 27 ILE HD12 H 1 0.887 0.05 . 1 . . . . 27 ILE HD1 . 16572 1 242 . 1 1 27 27 ILE HD13 H 1 0.887 0.05 . 1 . . . . 27 ILE HD1 . 16572 1 243 . 1 1 27 27 ILE HG12 H 1 1.155 0.05 . 2 . . . . 27 ILE HG12 . 16572 1 244 . 1 1 27 27 ILE HG13 H 1 2.070 0.05 . 2 . . . . 27 ILE HG13 . 16572 1 245 . 1 1 27 27 ILE HG21 H 1 0.962 0.05 . 1 . . . . 27 ILE HG2 . 16572 1 246 . 1 1 27 27 ILE HG22 H 1 0.962 0.05 . 1 . . . . 27 ILE HG2 . 16572 1 247 . 1 1 27 27 ILE HG23 H 1 0.962 0.05 . 1 . . . . 27 ILE HG2 . 16572 1 248 . 1 1 27 27 ILE CA C 13 60.905 0.5 . 1 . . . . 27 ILE CA . 16572 1 249 . 1 1 27 27 ILE CB C 13 43.249 0.5 . 1 . . . . 27 ILE CB . 16572 1 250 . 1 1 27 27 ILE CD1 C 13 14.86 0.5 . 1 . . . . 27 ILE CD1 . 16572 1 251 . 1 1 27 27 ILE CG1 C 13 29.33 0.5 . 1 . . . . 27 ILE CG1 . 16572 1 252 . 1 1 27 27 ILE CG2 C 13 18.427 0.5 . 1 . . . . 27 ILE CG2 . 16572 1 253 . 1 1 27 27 ILE N N 15 119.676 0.5 . 1 . . . . 27 ILE N . 16572 1 254 . 1 1 28 28 ARG H H 1 9.290 0.05 . 1 . . . . 28 ARG H . 16572 1 255 . 1 1 28 28 ARG HA H 1 5.561 0.05 . 1 . . . . 28 ARG HA . 16572 1 256 . 1 1 28 28 ARG HB2 H 1 1.80 0.05 . 2 . . . . 28 ARG HB2 . 16572 1 257 . 1 1 28 28 ARG HB3 H 1 1.615 0.05 . 2 . . . . 28 ARG HB3 . 16572 1 258 . 1 1 28 28 ARG HD2 H 1 3.034 0.05 . 2 . . . . 28 ARG HD2 . 16572 1 259 . 1 1 28 28 ARG HD3 H 1 3.034 0.05 . 2 . . . . 28 ARG HD3 . 16572 1 260 . 1 1 28 28 ARG HG2 H 1 1.40 0.05 . 2 . . . . 28 ARG HG2 . 16572 1 261 . 1 1 28 28 ARG HG3 H 1 1.60 0.05 . 2 . . . . 28 ARG HG3 . 16572 1 262 . 1 1 28 28 ARG CA C 13 54.65 0.5 . 1 . . . . 28 ARG CA . 16572 1 263 . 1 1 28 28 ARG CB C 13 34.18 0.5 . 1 . . . . 28 ARG CB . 16572 1 264 . 1 1 28 28 ARG CD C 13 43.192 0.5 . 1 . . . . 28 ARG CD . 16572 1 265 . 1 1 28 28 ARG CG C 13 28.379 0.5 . 1 . . . . 28 ARG CG . 16572 1 266 . 1 1 28 28 ARG N N 15 127.516 0.5 . 1 . . . . 28 ARG N . 16572 1 267 . 1 1 29 29 LEU H H 1 9.502 0.05 . 1 . . . . 29 LEU H . 16572 1 268 . 1 1 29 29 LEU HA H 1 5.306 0.05 . 1 . . . . 29 LEU HA . 16572 1 269 . 1 1 29 29 LEU HB2 H 1 1.437 0.05 . 2 . . . . 29 LEU HB2 . 16572 1 270 . 1 1 29 29 LEU HB3 H 1 1.629 0.05 . 2 . . . . 29 LEU HB3 . 16572 1 271 . 1 1 29 29 LEU HD11 H 1 0.758 0.05 . 2 . . . . 29 LEU HD1 . 16572 1 272 . 1 1 29 29 LEU HD12 H 1 0.758 0.05 . 2 . . . . 29 LEU HD1 . 16572 1 273 . 1 1 29 29 LEU HD13 H 1 0.758 0.05 . 2 . . . . 29 LEU HD1 . 16572 1 274 . 1 1 29 29 LEU HD21 H 1 0.811 0.05 . 2 . . . . 29 LEU HD2 . 16572 1 275 . 1 1 29 29 LEU HD22 H 1 0.811 0.05 . 2 . . . . 29 LEU HD2 . 16572 1 276 . 1 1 29 29 LEU HD23 H 1 0.811 0.05 . 2 . . . . 29 LEU HD2 . 16572 1 277 . 1 1 29 29 LEU HG H 1 1.57 0.05 . 1 . . . . 29 LEU HG . 16572 1 278 . 1 1 29 29 LEU CA C 13 54.01 0.5 . 1 . . . . 29 LEU CA . 16572 1 279 . 1 1 29 29 LEU CB C 13 44.02 0.5 . 1 . . . . 29 LEU CB . 16572 1 280 . 1 1 29 29 LEU CD1 C 13 26.6 0.5 . 2 . . . . 29 LEU CD1 . 16572 1 281 . 1 1 29 29 LEU CD2 C 13 26.07 0.5 . 2 . . . . 29 LEU CD2 . 16572 1 282 . 1 1 29 29 LEU CG C 13 28.39 0.5 . 1 . . . . 29 LEU CG . 16572 1 283 . 1 1 29 29 LEU N N 15 126.696 0.5 . 1 . . . . 29 LEU N . 16572 1 284 . 1 1 30 30 LYS H H 1 8.641 0.05 . 1 . . . . 30 LYS H . 16572 1 285 . 1 1 30 30 LYS HA H 1 5.108 0.05 . 1 . . . . 30 LYS HA . 16572 1 286 . 1 1 30 30 LYS HB2 H 1 1.493 0.05 . 2 . . . . 30 LYS HB2 . 16572 1 287 . 1 1 30 30 LYS HB3 H 1 1.63 0.05 . 2 . . . . 30 LYS HB3 . 16572 1 288 . 1 1 30 30 LYS HD2 H 1 1.357 0.05 . 2 . . . . 30 LYS HD2 . 16572 1 289 . 1 1 30 30 LYS HD3 H 1 1.357 0.05 . 2 . . . . 30 LYS HD3 . 16572 1 290 . 1 1 30 30 LYS HE2 H 1 2.698 0.05 . 2 . . . . 30 LYS HE2 . 16572 1 291 . 1 1 30 30 LYS HE3 H 1 2.698 0.05 . 2 . . . . 30 LYS HE3 . 16572 1 292 . 1 1 30 30 LYS HG2 H 1 0.81 0.05 . 2 . . . . 30 LYS HG2 . 16572 1 293 . 1 1 30 30 LYS HG3 H 1 0.998 0.05 . 2 . . . . 30 LYS HG3 . 16572 1 294 . 1 1 30 30 LYS CA C 13 54.66 0.5 . 1 . . . . 30 LYS CA . 16572 1 295 . 1 1 30 30 LYS CB C 13 38.07 0.5 . 1 . . . . 30 LYS CB . 16572 1 296 . 1 1 30 30 LYS CD C 13 29.15 0.5 . 1 . . . . 30 LYS CD . 16572 1 297 . 1 1 30 30 LYS CE C 13 41.81 0.5 . 1 . . . . 30 LYS CE . 16572 1 298 . 1 1 30 30 LYS CG C 13 25.20 0.5 . 1 . . . . 30 LYS CG . 16572 1 299 . 1 1 30 30 LYS N N 15 118.761 0.5 . 1 . . . . 30 LYS N . 16572 1 300 . 1 1 31 31 ASN H H 1 8.397 0.05 . 1 . . . . 31 ASN H . 16572 1 301 . 1 1 31 31 ASN HA H 1 5.319 0.05 . 1 . . . . 31 ASN HA . 16572 1 302 . 1 1 31 31 ASN HB2 H 1 3.426 0.05 . 2 . . . . 31 ASN HB2 . 16572 1 303 . 1 1 31 31 ASN HB3 H 1 2.269 0.05 . 2 . . . . 31 ASN HB3 . 16572 1 304 . 1 1 31 31 ASN HD21 H 1 6.611 0.05 . 2 . . . . 31 ASN HD21 . 16572 1 305 . 1 1 31 31 ASN HD22 H 1 8.038 0.05 . 2 . . . . 31 ASN HD22 . 16572 1 306 . 1 1 31 31 ASN CA C 13 50.69 0.5 . 1 . . . . 31 ASN CA . 16572 1 307 . 1 1 31 31 ASN CB C 13 37.49 0.5 . 1 . . . . 31 ASN CB . 16572 1 308 . 1 1 31 31 ASN N N 15 123.996 0.5 . 1 . . . . 31 ASN N . 16572 1 309 . 1 1 31 31 ASN ND2 N 15 111.1 0.5 . 1 . . . . 31 ASN ND2 . 16572 1 310 . 1 1 32 32 THR H H 1 8.455 0.05 . 1 . . . . 32 THR H . 16572 1 311 . 1 1 32 32 THR HA H 1 4.302 0.05 . 1 . . . . 32 THR HA . 16572 1 312 . 1 1 32 32 THR HB H 1 4.591 0.05 . 1 . . . . 32 THR HB . 16572 1 313 . 1 1 32 32 THR HG21 H 1 1.156 0.05 . 1 . . . . 32 THR HG2 . 16572 1 314 . 1 1 32 32 THR HG22 H 1 1.156 0.05 . 1 . . . . 32 THR HG2 . 16572 1 315 . 1 1 32 32 THR HG23 H 1 1.156 0.05 . 1 . . . . 32 THR HG2 . 16572 1 316 . 1 1 32 32 THR CA C 13 61.492 0.5 . 1 . . . . 32 THR CA . 16572 1 317 . 1 1 32 32 THR CB C 13 68.11 0.5 . 1 . . . . 32 THR CB . 16572 1 318 . 1 1 32 32 THR CG2 C 13 22.15 0.5 . 1 . . . . 32 THR CG2 . 16572 1 319 . 1 1 32 32 THR N N 15 115.755 0.5 . 1 . . . . 32 THR N . 16572 1 320 . 1 1 33 33 SER H H 1 8.487 0.05 . 1 . . . . 33 SER H . 16572 1 321 . 1 1 33 33 SER HA H 1 4.793 0.05 . 1 . . . . 33 SER HA . 16572 1 322 . 1 1 33 33 SER HB2 H 1 4.196 0.05 . 2 . . . . 33 SER HB2 . 16572 1 323 . 1 1 33 33 SER HB3 H 1 3.96 0.05 . 2 . . . . 33 SER HB3 . 16572 1 324 . 1 1 33 33 SER CA C 13 57.500 0.5 . 1 . . . . 33 SER CA . 16572 1 325 . 1 1 33 33 SER CB C 13 66.51 0.5 . 1 . . . . 33 SER CB . 16572 1 326 . 1 1 33 33 SER N N 15 120.037 0.5 . 1 . . . . 33 SER N . 16572 1 327 . 1 1 34 34 GLU H H 1 8.355 0.05 . 1 . . . . 34 GLU H . 16572 1 328 . 1 1 34 34 GLU HA H 1 4.335 0.05 . 1 . . . . 34 GLU HA . 16572 1 329 . 1 1 34 34 GLU HB2 H 1 1.878 0.05 . 2 . . . . 34 GLU HB2 . 16572 1 330 . 1 1 34 34 GLU HB3 H 1 2.324 0.05 . 2 . . . . 34 GLU HB3 . 16572 1 331 . 1 1 34 34 GLU HG2 H 1 2.393 0.05 . 2 . . . . 34 GLU HG2 . 16572 1 332 . 1 1 34 34 GLU HG3 H 1 2.296 0.05 . 2 . . . . 34 GLU HG3 . 16572 1 333 . 1 1 34 34 GLU CA C 13 55.84 0.5 . 1 . . . . 34 GLU CA . 16572 1 334 . 1 1 34 34 GLU CB C 13 28.93 0.5 . 1 . . . . 34 GLU CB . 16572 1 335 . 1 1 34 34 GLU CG C 13 35.669 0.5 . 1 . . . . 34 GLU CG . 16572 1 336 . 1 1 34 34 GLU N N 15 116.545 0.5 . 1 . . . . 34 GLU N . 16572 1 337 . 1 1 35 35 GLN H H 1 8.634 0.05 . 1 . . . . 35 GLN H . 16572 1 338 . 1 1 35 35 GLN HA H 1 4.664 0.05 . 1 . . . . 35 GLN HA . 16572 1 339 . 1 1 35 35 GLN HB2 H 1 1.880 0.05 . 2 . . . . 35 GLN HB2 . 16572 1 340 . 1 1 35 35 GLN HB3 H 1 1.963 0.05 . 2 . . . . 35 GLN HB3 . 16572 1 341 . 1 1 35 35 GLN HE21 H 1 7.518 0.05 . 2 . . . . 35 GLN HE21 . 16572 1 342 . 1 1 35 35 GLN HE22 H 1 6.838 0.05 . 2 . . . . 35 GLN HE22 . 16572 1 343 . 1 1 35 35 GLN HG2 H 1 2.325 0.05 . 2 . . . . 35 GLN HG2 . 16572 1 344 . 1 1 35 35 GLN HG3 H 1 2.253 0.05 . 2 . . . . 35 GLN HG3 . 16572 1 345 . 1 1 35 35 GLN CA C 13 53.74 0.5 . 1 . . . . 35 GLN CA . 16572 1 346 . 1 1 35 35 GLN CB C 13 31.696 0.5 . 1 . . . . 35 GLN CB . 16572 1 347 . 1 1 35 35 GLN CG C 13 33.807 0.5 . 1 . . . . 35 GLN CG . 16572 1 348 . 1 1 35 35 GLN N N 15 120.013 0.5 . 1 . . . . 35 GLN N . 16572 1 349 . 1 1 35 35 GLN NE2 N 15 112.3 0.5 . 1 . . . . 35 GLN NE2 . 16572 1 350 . 1 1 36 36 ASP H H 1 8.859 0.05 . 1 . . . . 36 ASP H . 16572 1 351 . 1 1 36 36 ASP HA H 1 4.05 0.05 . 1 . . . . 36 ASP HA . 16572 1 352 . 1 1 36 36 ASP HB2 H 1 2.08 0.05 . 2 . . . . 36 ASP HB2 . 16572 1 353 . 1 1 36 36 ASP HB3 H 1 2.490 0.05 . 2 . . . . 36 ASP HB3 . 16572 1 354 . 1 1 36 36 ASP CA C 13 54.64 0.5 . 1 . . . . 36 ASP CA . 16572 1 355 . 1 1 36 36 ASP CB C 13 40.12 0.5 . 1 . . . . 36 ASP CB . 16572 1 356 . 1 1 36 36 ASP N N 15 124.552 0.5 . 1 . . . . 36 ASP N . 16572 1 357 . 1 1 37 37 GLN H H 1 8.141 0.05 . 1 . . . . 37 GLN H . 16572 1 358 . 1 1 37 37 GLN HA H 1 4.786 0.05 . 1 . . . . 37 GLN HA . 16572 1 359 . 1 1 37 37 GLN HB2 H 1 1.618 0.05 . 2 . . . . 37 GLN HB2 . 16572 1 360 . 1 1 37 37 GLN HB3 H 1 1.89 0.05 . 2 . . . . 37 GLN HB3 . 16572 1 361 . 1 1 37 37 GLN HE21 H 1 7.583 0.05 . 2 . . . . 37 GLN HE21 . 16572 1 362 . 1 1 37 37 GLN HE22 H 1 7.989 0.05 . 2 . . . . 37 GLN HE22 . 16572 1 363 . 1 1 37 37 GLN HG2 H 1 1.320 0.05 . 2 . . . . 37 GLN HG2 . 16572 1 364 . 1 1 37 37 GLN HG3 H 1 1.845 0.05 . 2 . . . . 37 GLN HG3 . 16572 1 365 . 1 1 37 37 GLN CA C 13 50.858 0.5 . 1 . . . . 37 GLN CA . 16572 1 366 . 1 1 37 37 GLN CB C 13 31.86 0.5 . 1 . . . . 37 GLN CB . 16572 1 367 . 1 1 37 37 GLN CG C 13 34.04 0.5 . 1 . . . . 37 GLN CG . 16572 1 368 . 1 1 37 37 GLN N N 15 120.015 0.5 . 1 . . . . 37 GLN N . 16572 1 369 . 1 1 37 37 GLN NE2 N 15 118.1 0.5 . 1 . . . . 37 GLN NE2 . 16572 1 370 . 1 1 38 38 PRO HA H 1 4.367 0.05 . 1 . . . . 38 PRO HA . 16572 1 371 . 1 1 38 38 PRO HB2 H 1 2.393 0.05 . 2 . . . . 38 PRO HB2 . 16572 1 372 . 1 1 38 38 PRO HB3 H 1 2.047 0.05 . 2 . . . . 38 PRO HB3 . 16572 1 373 . 1 1 38 38 PRO HD2 H 1 3.634 0.05 . 2 . . . . 38 PRO HD2 . 16572 1 374 . 1 1 38 38 PRO HD3 H 1 3.783 0.05 . 2 . . . . 38 PRO HD3 . 16572 1 375 . 1 1 38 38 PRO HG2 H 1 1.898 0.05 . 2 . . . . 38 PRO HG2 . 16572 1 376 . 1 1 38 38 PRO HG3 H 1 2.173 0.05 . 2 . . . . 38 PRO HG3 . 16572 1 377 . 1 1 38 38 PRO CA C 13 63.33 0.5 . 1 . . . . 38 PRO CA . 16572 1 378 . 1 1 38 38 PRO CB C 13 31.75 0.5 . 1 . . . . 38 PRO CB . 16572 1 379 . 1 1 38 38 PRO CD C 13 51.4 0.5 . 1 . . . . 38 PRO CD . 16572 1 380 . 1 1 38 38 PRO CG C 13 27.9 0.5 . 1 . . . . 38 PRO CG . 16572 1 381 . 1 1 39 39 MET H H 1 8.392 0.05 . 1 . . . . 39 MET H . 16572 1 382 . 1 1 39 39 MET HA H 1 2.792 0.05 . 1 . . . . 39 MET HA . 16572 1 383 . 1 1 39 39 MET HB2 H 1 0.857 0.05 . 2 . . . . 39 MET HB2 . 16572 1 384 . 1 1 39 39 MET HB3 H 1 1.54 0.05 . 2 . . . . 39 MET HB3 . 16572 1 385 . 1 1 39 39 MET HE1 H 1 0.995 0.05 . 1 . . . . 39 MET HE . 16572 1 386 . 1 1 39 39 MET HE2 H 1 0.995 0.05 . 1 . . . . 39 MET HE . 16572 1 387 . 1 1 39 39 MET HE3 H 1 0.995 0.05 . 1 . . . . 39 MET HE . 16572 1 388 . 1 1 39 39 MET HG2 H 1 1.663 0.05 . 2 . . . . 39 MET HG2 . 16572 1 389 . 1 1 39 39 MET HG3 H 1 0.400 0.05 . 2 . . . . 39 MET HG3 . 16572 1 390 . 1 1 39 39 MET CA C 13 53.78 0.5 . 1 . . . . 39 MET CA . 16572 1 391 . 1 1 39 39 MET CB C 13 34.41 0.5 . 1 . . . . 39 MET CB . 16572 1 392 . 1 1 39 39 MET CE C 13 14.2 0.5 . 1 . . . . 39 MET CE . 16572 1 393 . 1 1 39 39 MET CG C 13 29.57 0.5 . 1 . . . . 39 MET CG . 16572 1 394 . 1 1 39 39 MET N N 15 124.427 0.5 . 1 . . . . 39 MET N . 16572 1 395 . 1 1 40 40 GLY H H 1 7.94 0.05 . 1 . . . . 40 GLY H . 16572 1 396 . 1 1 40 40 GLY HA2 H 1 4.154 0.05 . 2 . . . . 40 GLY HA2 . 16572 1 397 . 1 1 40 40 GLY HA3 H 1 3.763 0.05 . 2 . . . . 40 GLY HA3 . 16572 1 398 . 1 1 40 40 GLY CA C 13 48.114 0.5 . 1 . . . . 40 GLY CA . 16572 1 399 . 1 1 40 40 GLY N N 15 108.664 0.5 . 1 . . . . 40 GLY N . 16572 1 400 . 1 1 41 41 GLY H H 1 7.959 0.05 . 1 . . . . 41 GLY H . 16572 1 401 . 1 1 41 41 GLY HA2 H 1 4.323 0.05 . 2 . . . . 41 GLY HA2 . 16572 1 402 . 1 1 41 41 GLY HA3 H 1 3.769 0.05 . 2 . . . . 41 GLY HA3 . 16572 1 403 . 1 1 41 41 GLY CA C 13 46.02 0.5 . 1 . . . . 41 GLY CA . 16572 1 404 . 1 1 41 41 GLY N N 15 114.027 0.5 . 1 . . . . 41 GLY N . 16572 1 405 . 1 1 42 42 TRP H H 1 8.667 0.05 . 1 . . . . 42 TRP H . 16572 1 406 . 1 1 42 42 TRP HA H 1 4.408 0.05 . 1 . . . . 42 TRP HA . 16572 1 407 . 1 1 42 42 TRP HB2 H 1 3.152 0.05 . 2 . . . . 42 TRP HB2 . 16572 1 408 . 1 1 42 42 TRP HB3 H 1 3.37 0.05 . 2 . . . . 42 TRP HB3 . 16572 1 409 . 1 1 42 42 TRP HD1 H 1 7.075 0.05 . 1 . . . . 42 TRP HD1 . 16572 1 410 . 1 1 42 42 TRP HE1 H 1 10.11 0.05 . 1 . . . . 42 TRP HE1 . 16572 1 411 . 1 1 42 42 TRP HE3 H 1 6.78 0.05 . 1 . . . . 42 TRP HE3 . 16572 1 412 . 1 1 42 42 TRP HH2 H 1 7.19 0.05 . 1 . . . . 42 TRP HH2 . 16572 1 413 . 1 1 42 42 TRP HZ2 H 1 7.612 0.05 . 1 . . . . 42 TRP HZ2 . 16572 1 414 . 1 1 42 42 TRP HZ3 H 1 7.569 0.05 . 1 . . . . 42 TRP HZ3 . 16572 1 415 . 1 1 42 42 TRP CA C 13 58.925 0.5 . 1 . . . . 42 TRP CA . 16572 1 416 . 1 1 42 42 TRP CB C 13 28.12 0.5 . 1 . . . . 42 TRP CB . 16572 1 417 . 1 1 42 42 TRP CD1 C 13 124.8 0.5 . 1 . . . . 42 TRP CD1 . 16572 1 418 . 1 1 42 42 TRP CE3 C 13 121.3 0.5 . 1 . . . . 42 TRP CE3 . 16572 1 419 . 1 1 42 42 TRP CH2 C 13 124.4 0.5 . 1 . . . . 42 TRP CH2 . 16572 1 420 . 1 1 42 42 TRP CZ2 C 13 115.9 0.5 . 1 . . . . 42 TRP CZ2 . 16572 1 421 . 1 1 42 42 TRP CZ3 C 13 121.2 0.5 . 1 . . . . 42 TRP CZ3 . 16572 1 422 . 1 1 42 42 TRP N N 15 122.097 0.5 . 1 . . . . 42 TRP N . 16572 1 423 . 1 1 42 42 TRP NE1 N 15 129.2 0.5 . 1 . . . . 42 TRP NE1 . 16572 1 424 . 1 1 43 43 GLU H H 1 8.74 0.05 . 1 . . . . 43 GLU H . 16572 1 425 . 1 1 43 43 GLU HA H 1 5.462 0.05 . 1 . . . . 43 GLU HA . 16572 1 426 . 1 1 43 43 GLU HB2 H 1 1.763 0.05 . 2 . . . . 43 GLU HB2 . 16572 1 427 . 1 1 43 43 GLU HB3 H 1 1.955 0.05 . 2 . . . . 43 GLU HB3 . 16572 1 428 . 1 1 43 43 GLU HG2 H 1 2.036 0.05 . 2 . . . . 43 GLU HG2 . 16572 1 429 . 1 1 43 43 GLU HG3 H 1 2.117 0.05 . 2 . . . . 43 GLU HG3 . 16572 1 430 . 1 1 43 43 GLU CA C 13 54.41 0.5 . 1 . . . . 43 GLU CA . 16572 1 431 . 1 1 43 43 GLU CB C 13 33.980 0.5 . 1 . . . . 43 GLU CB . 16572 1 432 . 1 1 43 43 GLU CG C 13 35.905 0.5 . 1 . . . . 43 GLU CG . 16572 1 433 . 1 1 43 43 GLU N N 15 120.3 0.5 . 1 . . . . 43 GLU N . 16572 1 434 . 1 1 44 44 MET H H 1 9.658 0.05 . 1 . . . . 44 MET H . 16572 1 435 . 1 1 44 44 MET HA H 1 5.488 0.05 . 1 . . . . 44 MET HA . 16572 1 436 . 1 1 44 44 MET HB2 H 1 1.817 0.05 . 2 . . . . 44 MET HB2 . 16572 1 437 . 1 1 44 44 MET HB3 H 1 2.226 0.05 . 2 . . . . 44 MET HB3 . 16572 1 438 . 1 1 44 44 MET HE1 H 1 1.321 0.05 . 1 . . . . 44 MET HE . 16572 1 439 . 1 1 44 44 MET HE2 H 1 1.321 0.05 . 1 . . . . 44 MET HE . 16572 1 440 . 1 1 44 44 MET HE3 H 1 1.321 0.05 . 1 . . . . 44 MET HE . 16572 1 441 . 1 1 44 44 MET HG2 H 1 2.059 0.05 . 2 . . . . 44 MET HG2 . 16572 1 442 . 1 1 44 44 MET HG3 H 1 2.205 0.05 . 2 . . . . 44 MET HG3 . 16572 1 443 . 1 1 44 44 MET CA C 13 53.36 0.5 . 1 . . . . 44 MET CA . 16572 1 444 . 1 1 44 44 MET CB C 13 37.49 0.5 . 1 . . . . 44 MET CB . 16572 1 445 . 1 1 44 44 MET CE C 13 17.16 0.5 . 1 . . . . 44 MET CE . 16572 1 446 . 1 1 44 44 MET CG C 13 32.26 0.5 . 1 . . . . 44 MET CG . 16572 1 447 . 1 1 44 44 MET N N 15 126.477 0.5 . 1 . . . . 44 MET N . 16572 1 448 . 1 1 45 45 ILE H H 1 9.658 0.05 . 1 . . . . 45 ILE H . 16572 1 449 . 1 1 45 45 ILE HA H 1 4.781 0.05 . 1 . . . . 45 ILE HA . 16572 1 450 . 1 1 45 45 ILE HB H 1 1.732 0.05 . 1 . . . . 45 ILE HB . 16572 1 451 . 1 1 45 45 ILE HD11 H 1 0.767 0.05 . 1 . . . . 45 ILE HD1 . 16572 1 452 . 1 1 45 45 ILE HD12 H 1 0.767 0.05 . 1 . . . . 45 ILE HD1 . 16572 1 453 . 1 1 45 45 ILE HD13 H 1 0.767 0.05 . 1 . . . . 45 ILE HD1 . 16572 1 454 . 1 1 45 45 ILE HG12 H 1 1.415 0.05 . 2 . . . . 45 ILE HG12 . 16572 1 455 . 1 1 45 45 ILE HG13 H 1 1.086 0.05 . 2 . . . . 45 ILE HG13 . 16572 1 456 . 1 1 45 45 ILE HG21 H 1 0.812 0.05 . 1 . . . . 45 ILE HG2 . 16572 1 457 . 1 1 45 45 ILE HG22 H 1 0.812 0.05 . 1 . . . . 45 ILE HG2 . 16572 1 458 . 1 1 45 45 ILE HG23 H 1 0.812 0.05 . 1 . . . . 45 ILE HG2 . 16572 1 459 . 1 1 45 45 ILE CA C 13 60.413 0.5 . 1 . . . . 45 ILE CA . 16572 1 460 . 1 1 45 45 ILE CB C 13 40.804 0.5 . 1 . . . . 45 ILE CB . 16572 1 461 . 1 1 45 45 ILE CD1 C 13 14.087 0.5 . 1 . . . . 45 ILE CD1 . 16572 1 462 . 1 1 45 45 ILE CG1 C 13 27.956 0.5 . 1 . . . . 45 ILE CG1 . 16572 1 463 . 1 1 45 45 ILE CG2 C 13 18.11 0.5 . 1 . . . . 45 ILE CG2 . 16572 1 464 . 1 1 45 45 ILE N N 15 127.329 0.5 . 1 . . . . 45 ILE N . 16572 1 465 . 1 1 46 46 ARG H H 1 9.217 0.05 . 1 . . . . 46 ARG H . 16572 1 466 . 1 1 46 46 ARG HA H 1 5.083 0.05 . 1 . . . . 46 ARG HA . 16572 1 467 . 1 1 46 46 ARG HB2 H 1 1.935 0.05 . 2 . . . . 46 ARG HB2 . 16572 1 468 . 1 1 46 46 ARG HB3 H 1 1.331 0.05 . 2 . . . . 46 ARG HB3 . 16572 1 469 . 1 1 46 46 ARG HD2 H 1 2.87 0.05 . 2 . . . . 46 ARG HD2 . 16572 1 470 . 1 1 46 46 ARG HD3 H 1 2.87 0.05 . 2 . . . . 46 ARG HD3 . 16572 1 471 . 1 1 46 46 ARG HE H 1 6.109 0.05 . 1 . . . . 46 ARG HE . 16572 1 472 . 1 1 46 46 ARG HG2 H 1 1.119 0.05 . 2 . . . . 46 ARG HG2 . 16572 1 473 . 1 1 46 46 ARG HG3 H 1 0.77 0.05 . 2 . . . . 46 ARG HG3 . 16572 1 474 . 1 1 46 46 ARG CA C 13 53.76 0.5 . 1 . . . . 46 ARG CA . 16572 1 475 . 1 1 46 46 ARG CB C 13 33.559 0.5 . 1 . . . . 46 ARG CB . 16572 1 476 . 1 1 46 46 ARG CD C 13 41.80 0.5 . 1 . . . . 46 ARG CD . 16572 1 477 . 1 1 46 46 ARG CG C 13 26.91 0.5 . 1 . . . . 46 ARG CG . 16572 1 478 . 1 1 46 46 ARG N N 15 126.837 0.5 . 1 . . . . 46 ARG N . 16572 1 479 . 1 1 46 46 ARG NE N 15 81.81 0.5 . 1 . . . . 46 ARG NE . 16572 1 480 . 1 1 47 47 LYS H H 1 9.876 0.05 . 1 . . . . 47 LYS H . 16572 1 481 . 1 1 47 47 LYS HA H 1 5.257 0.05 . 1 . . . . 47 LYS HA . 16572 1 482 . 1 1 47 47 LYS HB2 H 1 1.847 0.05 . 2 . . . . 47 LYS HB2 . 16572 1 483 . 1 1 47 47 LYS HB3 H 1 1.562 0.05 . 2 . . . . 47 LYS HB3 . 16572 1 484 . 1 1 47 47 LYS HD2 H 1 1.593 0.05 . 2 . . . . 47 LYS HD2 . 16572 1 485 . 1 1 47 47 LYS HD3 H 1 1.593 0.05 . 2 . . . . 47 LYS HD3 . 16572 1 486 . 1 1 47 47 LYS HE2 H 1 2.89 0.05 . 2 . . . . 47 LYS HE2 . 16572 1 487 . 1 1 47 47 LYS HE3 H 1 2.89 0.05 . 2 . . . . 47 LYS HE3 . 16572 1 488 . 1 1 47 47 LYS HG2 H 1 1.231 0.05 . 2 . . . . 47 LYS HG2 . 16572 1 489 . 1 1 47 47 LYS HG3 H 1 1.231 0.05 . 2 . . . . 47 LYS HG3 . 16572 1 490 . 1 1 47 47 LYS CA C 13 55.26 0.5 . 1 . . . . 47 LYS CA . 16572 1 491 . 1 1 47 47 LYS CB C 13 34.86 0.5 . 1 . . . . 47 LYS CB . 16572 1 492 . 1 1 47 47 LYS CD C 13 29.00 0.5 . 1 . . . . 47 LYS CD . 16572 1 493 . 1 1 47 47 LYS CE C 13 41.62 0.5 . 1 . . . . 47 LYS CE . 16572 1 494 . 1 1 47 47 LYS CG C 13 24.55 0.5 . 1 . . . . 47 LYS CG . 16572 1 495 . 1 1 47 47 LYS N N 15 132.271 0.5 . 1 . . . . 47 LYS N . 16572 1 496 . 1 1 48 48 ILE H H 1 7.909 0.05 . 1 . . . . 48 ILE H . 16572 1 497 . 1 1 48 48 ILE HA H 1 4.360 0.05 . 1 . . . . 48 ILE HA . 16572 1 498 . 1 1 48 48 ILE HB H 1 1.588 0.05 . 1 . . . . 48 ILE HB . 16572 1 499 . 1 1 48 48 ILE HD11 H 1 0.623 0.05 . 1 . . . . 48 ILE HD1 . 16572 1 500 . 1 1 48 48 ILE HD12 H 1 0.623 0.05 . 1 . . . . 48 ILE HD1 . 16572 1 501 . 1 1 48 48 ILE HD13 H 1 0.623 0.05 . 1 . . . . 48 ILE HD1 . 16572 1 502 . 1 1 48 48 ILE HG12 H 1 1.344 0.05 . 2 . . . . 48 ILE HG12 . 16572 1 503 . 1 1 48 48 ILE HG13 H 1 0.993 0.05 . 2 . . . . 48 ILE HG13 . 16572 1 504 . 1 1 48 48 ILE HG21 H 1 0.865 0.05 . 1 . . . . 48 ILE HG2 . 16572 1 505 . 1 1 48 48 ILE HG22 H 1 0.865 0.05 . 1 . . . . 48 ILE HG2 . 16572 1 506 . 1 1 48 48 ILE HG23 H 1 0.865 0.05 . 1 . . . . 48 ILE HG2 . 16572 1 507 . 1 1 48 48 ILE CA C 13 61.132 0.5 . 1 . . . . 48 ILE CA . 16572 1 508 . 1 1 48 48 ILE CB C 13 40.316 0.5 . 1 . . . . 48 ILE CB . 16572 1 509 . 1 1 48 48 ILE CD1 C 13 13.128 0.5 . 1 . . . . 48 ILE CD1 . 16572 1 510 . 1 1 48 48 ILE CG1 C 13 27.8 0.5 . 1 . . . . 48 ILE CG1 . 16572 1 511 . 1 1 48 48 ILE CG2 C 13 16.594 0.5 . 1 . . . . 48 ILE CG2 . 16572 1 512 . 1 1 48 48 ILE N N 15 125.793 0.5 . 1 . . . . 48 ILE N . 16572 1 513 . 1 1 49 49 GLY H H 1 9.576 0.05 . 1 . . . . 49 GLY H . 16572 1 514 . 1 1 49 49 GLY HA2 H 1 4.021 0.05 . 2 . . . . 49 GLY HA2 . 16572 1 515 . 1 1 49 49 GLY HA3 H 1 3.73 0.05 . 2 . . . . 49 GLY HA3 . 16572 1 516 . 1 1 49 49 GLY CA C 13 46.91 0.5 . 1 . . . . 49 GLY CA . 16572 1 517 . 1 1 49 49 GLY N N 15 120.665 0.5 . 1 . . . . 49 GLY N . 16572 1 518 . 1 1 50 50 ASP H H 1 8.935 0.05 . 1 . . . . 50 ASP H . 16572 1 519 . 1 1 50 50 ASP HA H 1 4.777 0.05 . 1 . . . . 50 ASP HA . 16572 1 520 . 1 1 50 50 ASP HB2 H 1 2.686 0.05 . 2 . . . . 50 ASP HB2 . 16572 1 521 . 1 1 50 50 ASP HB3 H 1 2.866 0.05 . 2 . . . . 50 ASP HB3 . 16572 1 522 . 1 1 50 50 ASP CA C 13 54.00 0.5 . 1 . . . . 50 ASP CA . 16572 1 523 . 1 1 50 50 ASP CB C 13 40.52 0.5 . 1 . . . . 50 ASP CB . 16572 1 524 . 1 1 50 50 ASP N N 15 126.343 0.5 . 1 . . . . 50 ASP N . 16572 1 525 . 1 1 51 51 THR H H 1 8.253 0.05 . 1 . . . . 51 THR H . 16572 1 526 . 1 1 51 51 THR HA H 1 4.638 0.05 . 1 . . . . 51 THR HA . 16572 1 527 . 1 1 51 51 THR HB H 1 4.212 0.05 . 1 . . . . 51 THR HB . 16572 1 528 . 1 1 51 51 THR HG21 H 1 1.223 0.05 . 1 . . . . 51 THR HG2 . 16572 1 529 . 1 1 51 51 THR HG22 H 1 1.223 0.05 . 1 . . . . 51 THR HG2 . 16572 1 530 . 1 1 51 51 THR HG23 H 1 1.223 0.05 . 1 . . . . 51 THR HG2 . 16572 1 531 . 1 1 51 51 THR CA C 13 61.69 0.5 . 1 . . . . 51 THR CA . 16572 1 532 . 1 1 51 51 THR CB C 13 71.08 0.5 . 1 . . . . 51 THR CB . 16572 1 533 . 1 1 51 51 THR CG2 C 13 21.336 0.5 . 1 . . . . 51 THR CG2 . 16572 1 534 . 1 1 51 51 THR N N 15 115.167 0.5 . 1 . . . . 51 THR N . 16572 1 535 . 1 1 52 52 SER H H 1 8.710 0.05 . 1 . . . . 52 SER H . 16572 1 536 . 1 1 52 52 SER HA H 1 5.318 0.05 . 1 . . . . 52 SER HA . 16572 1 537 . 1 1 52 52 SER HB2 H 1 3.601 0.05 . 2 . . . . 52 SER HB2 . 16572 1 538 . 1 1 52 52 SER HB3 H 1 3.558 0.05 . 2 . . . . 52 SER HB3 . 16572 1 539 . 1 1 52 52 SER CA C 13 57.29 0.5 . 1 . . . . 52 SER CA . 16572 1 540 . 1 1 52 52 SER CB C 13 64.73 0.5 . 1 . . . . 52 SER CB . 16572 1 541 . 1 1 52 52 SER N N 15 121.442 0.5 . 1 . . . . 52 SER N . 16572 1 542 . 1 1 53 53 VAL H H 1 8.448 0.05 . 1 . . . . 53 VAL H . 16572 1 543 . 1 1 53 53 VAL HA H 1 4.650 0.05 . 1 . . . . 53 VAL HA . 16572 1 544 . 1 1 53 53 VAL HB H 1 1.989 0.05 . 1 . . . . 53 VAL HB . 16572 1 545 . 1 1 53 53 VAL HG11 H 1 0.884 0.05 . 2 . . . . 53 VAL HG1 . 16572 1 546 . 1 1 53 53 VAL HG12 H 1 0.884 0.05 . 2 . . . . 53 VAL HG1 . 16572 1 547 . 1 1 53 53 VAL HG13 H 1 0.884 0.05 . 2 . . . . 53 VAL HG1 . 16572 1 548 . 1 1 53 53 VAL HG21 H 1 0.769 0.05 . 2 . . . . 53 VAL HG2 . 16572 1 549 . 1 1 53 53 VAL HG22 H 1 0.769 0.05 . 2 . . . . 53 VAL HG2 . 16572 1 550 . 1 1 53 53 VAL HG23 H 1 0.769 0.05 . 2 . . . . 53 VAL HG2 . 16572 1 551 . 1 1 53 53 VAL CA C 13 60.449 0.5 . 1 . . . . 53 VAL CA . 16572 1 552 . 1 1 53 53 VAL CB C 13 35.105 0.5 . 1 . . . . 53 VAL CB . 16572 1 553 . 1 1 53 53 VAL CG1 C 13 21.19 0.5 . 2 . . . . 53 VAL CG1 . 16572 1 554 . 1 1 53 53 VAL CG2 C 13 19.92 0.5 . 2 . . . . 53 VAL CG2 . 16572 1 555 . 1 1 53 53 VAL N N 15 121.387 0.5 . 1 . . . . 53 VAL N . 16572 1 556 . 1 1 54 54 SER H H 1 8.761 0.05 . 1 . . . . 54 SER H . 16572 1 557 . 1 1 54 54 SER HA H 1 5.76 0.05 . 1 . . . . 54 SER HA . 16572 1 558 . 1 1 54 54 SER HB2 H 1 3.716 0.05 . 2 . . . . 54 SER HB2 . 16572 1 559 . 1 1 54 54 SER HB3 H 1 3.673 0.05 . 2 . . . . 54 SER HB3 . 16572 1 560 . 1 1 54 54 SER CA C 13 57.18 0.5 . 1 . . . . 54 SER CA . 16572 1 561 . 1 1 54 54 SER CB C 13 65.91 0.5 . 1 . . . . 54 SER CB . 16572 1 562 . 1 1 54 54 SER N N 15 118.025 0.5 . 1 . . . . 54 SER N . 16572 1 563 . 1 1 55 55 TYR H H 1 9.34 0.05 . 1 . . . . 55 TYR H . 16572 1 564 . 1 1 55 55 TYR HA H 1 4.175 0.05 . 1 . . . . 55 TYR HA . 16572 1 565 . 1 1 55 55 TYR HB2 H 1 1.91 0.05 . 2 . . . . 55 TYR HB2 . 16572 1 566 . 1 1 55 55 TYR HB3 H 1 0.788 0.05 . 2 . . . . 55 TYR HB3 . 16572 1 567 . 1 1 55 55 TYR HD1 H 1 5.76 0.05 . 3 . . . . 55 TYR HD1 . 16572 1 568 . 1 1 55 55 TYR HD2 H 1 5.76 0.05 . 3 . . . . 55 TYR HD2 . 16572 1 569 . 1 1 55 55 TYR HE1 H 1 5.59 0.05 . 3 . . . . 55 TYR HE1 . 16572 1 570 . 1 1 55 55 TYR HE2 H 1 5.59 0.05 . 3 . . . . 55 TYR HE2 . 16572 1 571 . 1 1 55 55 TYR CA C 13 57.1 0.5 . 1 . . . . 55 TYR CA . 16572 1 572 . 1 1 55 55 TYR CB C 13 39.87 0.5 . 1 . . . . 55 TYR CB . 16572 1 573 . 1 1 55 55 TYR CD1 C 13 132.2 0.5 . 3 . . . . 55 TYR CD1 . 16572 1 574 . 1 1 55 55 TYR CD2 C 13 132.2 0.5 . 3 . . . . 55 TYR CD2 . 16572 1 575 . 1 1 55 55 TYR CE1 C 13 116.9 0.5 . 3 . . . . 55 TYR CE1 . 16572 1 576 . 1 1 55 55 TYR CE2 C 13 116.9 0.5 . 3 . . . . 55 TYR CE2 . 16572 1 577 . 1 1 55 55 TYR N N 15 128.024 0.5 . 1 . . . . 55 TYR N . 16572 1 578 . 1 1 56 56 LYS H H 1 7.551 0.05 . 1 . . . . 56 LYS H . 16572 1 579 . 1 1 56 56 LYS HA H 1 4.89 0.05 . 1 . . . . 56 LYS HA . 16572 1 580 . 1 1 56 56 LYS HB2 H 1 1.419 0.05 . 2 . . . . 56 LYS HB2 . 16572 1 581 . 1 1 56 56 LYS HB3 H 1 1.574 0.05 . 2 . . . . 56 LYS HB3 . 16572 1 582 . 1 1 56 56 LYS HD2 H 1 1.59 0.05 . 2 . . . . 56 LYS HD2 . 16572 1 583 . 1 1 56 56 LYS HD3 H 1 1.59 0.05 . 2 . . . . 56 LYS HD3 . 16572 1 584 . 1 1 56 56 LYS HE2 H 1 2.90 0.05 . 2 . . . . 56 LYS HE2 . 16572 1 585 . 1 1 56 56 LYS HE3 H 1 2.90 0.05 . 2 . . . . 56 LYS HE3 . 16572 1 586 . 1 1 56 56 LYS HG2 H 1 1.23 0.05 . 2 . . . . 56 LYS HG2 . 16572 1 587 . 1 1 56 56 LYS HG3 H 1 1.28 0.05 . 2 . . . . 56 LYS HG3 . 16572 1 588 . 1 1 56 56 LYS CA C 13 54.117 0.5 . 1 . . . . 56 LYS CA . 16572 1 589 . 1 1 56 56 LYS CB C 13 33.61 0.5 . 1 . . . . 56 LYS CB . 16572 1 590 . 1 1 56 56 LYS CD C 13 29.2 0.5 . 1 . . . . 56 LYS CD . 16572 1 591 . 1 1 56 56 LYS CE C 13 41.2 0.5 . 1 . . . . 56 LYS CE . 16572 1 592 . 1 1 56 56 LYS CG C 13 24.44 0.5 . 1 . . . . 56 LYS CG . 16572 1 593 . 1 1 56 56 LYS N N 15 127.706 0.5 . 1 . . . . 56 LYS N . 16572 1 594 . 1 1 57 57 TYR H H 1 8.247 0.05 . 1 . . . . 57 TYR H . 16572 1 595 . 1 1 57 57 TYR HA H 1 3.996 0.05 . 1 . . . . 57 TYR HA . 16572 1 596 . 1 1 57 57 TYR HB2 H 1 2.769 0.05 . 2 . . . . 57 TYR HB2 . 16572 1 597 . 1 1 57 57 TYR HB3 H 1 3.289 0.05 . 2 . . . . 57 TYR HB3 . 16572 1 598 . 1 1 57 57 TYR HD1 H 1 6.797 0.05 . 3 . . . . 57 TYR HD1 . 16572 1 599 . 1 1 57 57 TYR HD2 H 1 6.797 0.05 . 3 . . . . 57 TYR HD2 . 16572 1 600 . 1 1 57 57 TYR HE1 H 1 6.20 0.05 . 3 . . . . 57 TYR HE1 . 16572 1 601 . 1 1 57 57 TYR HE2 H 1 6.20 0.05 . 3 . . . . 57 TYR HE2 . 16572 1 602 . 1 1 57 57 TYR CA C 13 59.032 0.5 . 1 . . . . 57 TYR CA . 16572 1 603 . 1 1 57 57 TYR CB C 13 39.39 0.5 . 1 . . . . 57 TYR CB . 16572 1 604 . 1 1 57 57 TYR CD1 C 13 133.6 0.5 . 3 . . . . 57 TYR CD1 . 16572 1 605 . 1 1 57 57 TYR CD2 C 13 133.6 0.5 . 3 . . . . 57 TYR CD2 . 16572 1 606 . 1 1 57 57 TYR CE1 C 13 117.3 0.5 . 3 . . . . 57 TYR CE1 . 16572 1 607 . 1 1 57 57 TYR CE2 C 13 117.3 0.5 . 3 . . . . 57 TYR CE2 . 16572 1 608 . 1 1 57 57 TYR N N 15 124.225 0.5 . 1 . . . . 57 TYR N . 16572 1 609 . 1 1 58 58 THR H H 1 8.722 0.05 . 1 . . . . 58 THR H . 16572 1 610 . 1 1 58 58 THR HA H 1 4.259 0.05 . 1 . . . . 58 THR HA . 16572 1 611 . 1 1 58 58 THR HB H 1 4.609 0.05 . 1 . . . . 58 THR HB . 16572 1 612 . 1 1 58 58 THR HG21 H 1 1.437 0.05 . 1 . . . . 58 THR HG2 . 16572 1 613 . 1 1 58 58 THR HG22 H 1 1.437 0.05 . 1 . . . . 58 THR HG2 . 16572 1 614 . 1 1 58 58 THR HG23 H 1 1.437 0.05 . 1 . . . . 58 THR HG2 . 16572 1 615 . 1 1 58 58 THR CA C 13 62.25 0.5 . 1 . . . . 58 THR CA . 16572 1 616 . 1 1 58 58 THR CB C 13 69.28 0.5 . 1 . . . . 58 THR CB . 16572 1 617 . 1 1 58 58 THR CG2 C 13 21.62 0.5 . 1 . . . . 58 THR CG2 . 16572 1 618 . 1 1 58 58 THR N N 15 116.096 0.5 . 1 . . . . 58 THR N . 16572 1 619 . 1 1 59 59 SER H H 1 8.402 0.05 . 1 . . . . 59 SER H . 16572 1 620 . 1 1 59 59 SER HA H 1 4.05 0.05 . 1 . . . . 59 SER HA . 16572 1 621 . 1 1 59 59 SER HB2 H 1 3.99 0.05 . 2 . . . . 59 SER HB2 . 16572 1 622 . 1 1 59 59 SER HB3 H 1 3.966 0.05 . 2 . . . . 59 SER HB3 . 16572 1 623 . 1 1 59 59 SER CA C 13 61.68 0.5 . 1 . . . . 59 SER CA . 16572 1 624 . 1 1 59 59 SER CB C 13 63.21 0.5 . 1 . . . . 59 SER CB . 16572 1 625 . 1 1 59 59 SER N N 15 114.556 0.5 . 1 . . . . 59 SER N . 16572 1 626 . 1 1 60 60 ARG H H 1 8.176 0.05 . 1 . . . . 60 ARG H . 16572 1 627 . 1 1 60 60 ARG HA H 1 4.489 0.05 . 1 . . . . 60 ARG HA . 16572 1 628 . 1 1 60 60 ARG HB2 H 1 2.029 0.05 . 2 . . . . 60 ARG HB2 . 16572 1 629 . 1 1 60 60 ARG HB3 H 1 1.750 0.05 . 2 . . . . 60 ARG HB3 . 16572 1 630 . 1 1 60 60 ARG HD2 H 1 3.20 0.05 . 2 . . . . 60 ARG HD2 . 16572 1 631 . 1 1 60 60 ARG HD3 H 1 3.20 0.05 . 2 . . . . 60 ARG HD3 . 16572 1 632 . 1 1 60 60 ARG HG2 H 1 1.588 0.05 . 2 . . . . 60 ARG HG2 . 16572 1 633 . 1 1 60 60 ARG HG3 H 1 1.676 0.05 . 2 . . . . 60 ARG HG3 . 16572 1 634 . 1 1 60 60 ARG CA C 13 54.96 0.5 . 1 . . . . 60 ARG CA . 16572 1 635 . 1 1 60 60 ARG CB C 13 29.846 0.5 . 1 . . . . 60 ARG CB . 16572 1 636 . 1 1 60 60 ARG CD C 13 43.15 0.5 . 1 . . . . 60 ARG CD . 16572 1 637 . 1 1 60 60 ARG CG C 13 26.99 0.5 . 1 . . . . 60 ARG CG . 16572 1 638 . 1 1 60 60 ARG N N 15 118.244 0.5 . 1 . . . . 60 ARG N . 16572 1 639 . 1 1 61 61 TYR H H 1 7.617 0.05 . 1 . . . . 61 TYR H . 16572 1 640 . 1 1 61 61 TYR HA H 1 3.897 0.05 . 1 . . . . 61 TYR HA . 16572 1 641 . 1 1 61 61 TYR HB2 H 1 3.233 0.05 . 2 . . . . 61 TYR HB2 . 16572 1 642 . 1 1 61 61 TYR HB3 H 1 2.613 0.05 . 2 . . . . 61 TYR HB3 . 16572 1 643 . 1 1 61 61 TYR HD1 H 1 6.898 0.05 . 3 . . . . 61 TYR HD1 . 16572 1 644 . 1 1 61 61 TYR HD2 H 1 6.898 0.05 . 3 . . . . 61 TYR HD2 . 16572 1 645 . 1 1 61 61 TYR HE1 H 1 6.69 0.05 . 3 . . . . 61 TYR HE1 . 16572 1 646 . 1 1 61 61 TYR HE2 H 1 6.69 0.05 . 3 . . . . 61 TYR HE2 . 16572 1 647 . 1 1 61 61 TYR CA C 13 61.93 0.5 . 1 . . . . 61 TYR CA . 16572 1 648 . 1 1 61 61 TYR CB C 13 38.67 0.5 . 1 . . . . 61 TYR CB . 16572 1 649 . 1 1 61 61 TYR CD1 C 13 133.0 0.5 . 3 . . . . 61 TYR CD1 . 16572 1 650 . 1 1 61 61 TYR CD2 C 13 133.0 0.5 . 3 . . . . 61 TYR CD2 . 16572 1 651 . 1 1 61 61 TYR CE1 C 13 117.6 0.5 . 3 . . . . 61 TYR CE1 . 16572 1 652 . 1 1 61 61 TYR CE2 C 13 117.6 0.5 . 3 . . . . 61 TYR CE2 . 16572 1 653 . 1 1 61 61 TYR N N 15 122.301 0.5 . 1 . . . . 61 TYR N . 16572 1 654 . 1 1 62 62 VAL H H 1 7.363 0.05 . 1 . . . . 62 VAL H . 16572 1 655 . 1 1 62 62 VAL HA H 1 3.893 0.05 . 1 . . . . 62 VAL HA . 16572 1 656 . 1 1 62 62 VAL HB H 1 1.589 0.05 . 1 . . . . 62 VAL HB . 16572 1 657 . 1 1 62 62 VAL HG11 H 1 0.387 0.05 . 2 . . . . 62 VAL HG1 . 16572 1 658 . 1 1 62 62 VAL HG12 H 1 0.387 0.05 . 2 . . . . 62 VAL HG1 . 16572 1 659 . 1 1 62 62 VAL HG13 H 1 0.387 0.05 . 2 . . . . 62 VAL HG1 . 16572 1 660 . 1 1 62 62 VAL HG21 H 1 0.707 0.05 . 2 . . . . 62 VAL HG2 . 16572 1 661 . 1 1 62 62 VAL HG22 H 1 0.707 0.05 . 2 . . . . 62 VAL HG2 . 16572 1 662 . 1 1 62 62 VAL HG23 H 1 0.707 0.05 . 2 . . . . 62 VAL HG2 . 16572 1 663 . 1 1 62 62 VAL CA C 13 60.59 0.5 . 1 . . . . 62 VAL CA . 16572 1 664 . 1 1 62 62 VAL CB C 13 35.27 0.5 . 1 . . . . 62 VAL CB . 16572 1 665 . 1 1 62 62 VAL CG1 C 13 20.473 0.5 . 2 . . . . 62 VAL CG1 . 16572 1 666 . 1 1 62 62 VAL CG2 C 13 20.779 0.5 . 2 . . . . 62 VAL CG2 . 16572 1 667 . 1 1 62 62 VAL N N 15 129.952 0.5 . 1 . . . . 62 VAL N . 16572 1 668 . 1 1 63 63 LEU H H 1 7.852 0.05 . 1 . . . . 63 LEU H . 16572 1 669 . 1 1 63 63 LEU HA H 1 4.558 0.05 . 1 . . . . 63 LEU HA . 16572 1 670 . 1 1 63 63 LEU HB2 H 1 1.423 0.05 . 2 . . . . 63 LEU HB2 . 16572 1 671 . 1 1 63 63 LEU HB3 H 1 1.837 0.05 . 2 . . . . 63 LEU HB3 . 16572 1 672 . 1 1 63 63 LEU HD11 H 1 0.881 0.05 . 2 . . . . 63 LEU HD1 . 16572 1 673 . 1 1 63 63 LEU HD12 H 1 0.881 0.05 . 2 . . . . 63 LEU HD1 . 16572 1 674 . 1 1 63 63 LEU HD13 H 1 0.881 0.05 . 2 . . . . 63 LEU HD1 . 16572 1 675 . 1 1 63 63 LEU HD21 H 1 0.881 0.05 . 2 . . . . 63 LEU HD2 . 16572 1 676 . 1 1 63 63 LEU HD22 H 1 0.881 0.05 . 2 . . . . 63 LEU HD2 . 16572 1 677 . 1 1 63 63 LEU HD23 H 1 0.881 0.05 . 2 . . . . 63 LEU HD2 . 16572 1 678 . 1 1 63 63 LEU HG H 1 1.63 0.05 . 1 . . . . 63 LEU HG . 16572 1 679 . 1 1 63 63 LEU CA C 13 51.98 0.5 . 1 . . . . 63 LEU CA . 16572 1 680 . 1 1 63 63 LEU CB C 13 42.60 0.5 . 1 . . . . 63 LEU CB . 16572 1 681 . 1 1 63 63 LEU CD1 C 13 23.47 0.5 . 2 . . . . 63 LEU CD1 . 16572 1 682 . 1 1 63 63 LEU CD2 C 13 23.47 0.5 . 2 . . . . 63 LEU CD2 . 16572 1 683 . 1 1 63 63 LEU CG C 13 27.0 0.5 . 1 . . . . 63 LEU CG . 16572 1 684 . 1 1 63 63 LEU N N 15 128.635 0.5 . 1 . . . . 63 LEU N . 16572 1 685 . 1 1 64 64 LYS H H 1 8.77 0.05 . 1 . . . . 64 LYS H . 16572 1 686 . 1 1 64 64 LYS HA H 1 3.722 0.05 . 1 . . . . 64 LYS HA . 16572 1 687 . 1 1 64 64 LYS HB2 H 1 1.791 0.05 . 2 . . . . 64 LYS HB2 . 16572 1 688 . 1 1 64 64 LYS HB3 H 1 1.465 0.05 . 2 . . . . 64 LYS HB3 . 16572 1 689 . 1 1 64 64 LYS HD2 H 1 1.591 0.05 . 2 . . . . 64 LYS HD2 . 16572 1 690 . 1 1 64 64 LYS HD3 H 1 1.591 0.05 . 2 . . . . 64 LYS HD3 . 16572 1 691 . 1 1 64 64 LYS HE2 H 1 2.93 0.05 . 2 . . . . 64 LYS HE2 . 16572 1 692 . 1 1 64 64 LYS HE3 H 1 2.93 0.05 . 2 . . . . 64 LYS HE3 . 16572 1 693 . 1 1 64 64 LYS HG2 H 1 1.456 0.05 . 2 . . . . 64 LYS HG2 . 16572 1 694 . 1 1 64 64 LYS HG3 H 1 1.148 0.05 . 2 . . . . 64 LYS HG3 . 16572 1 695 . 1 1 64 64 LYS CA C 13 57.36 0.5 . 1 . . . . 64 LYS CA . 16572 1 696 . 1 1 64 64 LYS CB C 13 32.381 0.5 . 1 . . . . 64 LYS CB . 16572 1 697 . 1 1 64 64 LYS CD C 13 28.6 0.5 . 1 . . . . 64 LYS CD . 16572 1 698 . 1 1 64 64 LYS CE C 13 41.72 0.5 . 1 . . . . 64 LYS CE . 16572 1 699 . 1 1 64 64 LYS CG C 13 25.887 0.5 . 1 . . . . 64 LYS CG . 16572 1 700 . 1 1 64 64 LYS N N 15 130.633 0.5 . 1 . . . . 64 LYS N . 16572 1 701 . 1 1 65 65 ALA H H 1 8.628 0.05 . 1 . . . . 65 ALA H . 16572 1 702 . 1 1 65 65 ALA HA H 1 3.557 0.05 . 1 . . . . 65 ALA HA . 16572 1 703 . 1 1 65 65 ALA HB1 H 1 1.042 0.05 . 1 . . . . 65 ALA HB . 16572 1 704 . 1 1 65 65 ALA HB2 H 1 1.042 0.05 . 1 . . . . 65 ALA HB . 16572 1 705 . 1 1 65 65 ALA HB3 H 1 1.042 0.05 . 1 . . . . 65 ALA HB . 16572 1 706 . 1 1 65 65 ALA CA C 13 53.7 0.5 . 1 . . . . 65 ALA CA . 16572 1 707 . 1 1 65 65 ALA CB C 13 18.66 0.5 . 1 . . . . 65 ALA CB . 16572 1 708 . 1 1 65 65 ALA N N 15 123.214 0.5 . 1 . . . . 65 ALA N . 16572 1 709 . 1 1 66 66 GLY H H 1 7.505 0.05 . 1 . . . . 66 GLY H . 16572 1 710 . 1 1 66 66 GLY HA2 H 1 4.020 0.05 . 2 . . . . 66 GLY HA2 . 16572 1 711 . 1 1 66 66 GLY HA3 H 1 4.020 0.05 . 2 . . . . 66 GLY HA3 . 16572 1 712 . 1 1 66 66 GLY CA C 13 46.864 0.5 . 1 . . . . 66 GLY CA . 16572 1 713 . 1 1 66 66 GLY N N 15 112.913 0.5 . 1 . . . . 66 GLY N . 16572 1 714 . 1 1 67 67 GLN H H 1 8.136 0.05 . 1 . . . . 67 GLN H . 16572 1 715 . 1 1 67 67 GLN HA H 1 4.436 0.05 . 1 . . . . 67 GLN HA . 16572 1 716 . 1 1 67 67 GLN HB2 H 1 1.982 0.05 . 2 . . . . 67 GLN HB2 . 16572 1 717 . 1 1 67 67 GLN HB3 H 1 2.32 0.05 . 2 . . . . 67 GLN HB3 . 16572 1 718 . 1 1 67 67 GLN HE21 H 1 6.875 0.05 . 2 . . . . 67 GLN HE21 . 16572 1 719 . 1 1 67 67 GLN HE22 H 1 7.463 0.05 . 2 . . . . 67 GLN HE22 . 16572 1 720 . 1 1 67 67 GLN HG2 H 1 2.396 0.05 . 2 . . . . 67 GLN HG2 . 16572 1 721 . 1 1 67 67 GLN HG3 H 1 2.396 0.05 . 2 . . . . 67 GLN HG3 . 16572 1 722 . 1 1 67 67 GLN CA C 13 55.029 0.5 . 1 . . . . 67 GLN CA . 16572 1 723 . 1 1 67 67 GLN CB C 13 29.7 0.5 . 1 . . . . 67 GLN CB . 16572 1 724 . 1 1 67 67 GLN CG C 13 34.376 0.5 . 1 . . . . 67 GLN CG . 16572 1 725 . 1 1 67 67 GLN N N 15 118.759 0.5 . 1 . . . . 67 GLN N . 16572 1 726 . 1 1 67 67 GLN NE2 N 15 114.1 0.5 . 1 . . . . 67 GLN NE2 . 16572 1 727 . 1 1 68 68 THR H H 1 8.066 0.05 . 1 . . . . 68 THR H . 16572 1 728 . 1 1 68 68 THR HA H 1 5.414 0.05 . 1 . . . . 68 THR HA . 16572 1 729 . 1 1 68 68 THR HB H 1 4.064 0.05 . 1 . . . . 68 THR HB . 16572 1 730 . 1 1 68 68 THR HG21 H 1 1.13 0.05 . 1 . . . . 68 THR HG2 . 16572 1 731 . 1 1 68 68 THR HG22 H 1 1.13 0.05 . 1 . . . . 68 THR HG2 . 16572 1 732 . 1 1 68 68 THR HG23 H 1 1.13 0.05 . 1 . . . . 68 THR HG2 . 16572 1 733 . 1 1 68 68 THR CA C 13 60.05 0.5 . 1 . . . . 68 THR CA . 16572 1 734 . 1 1 68 68 THR CB C 13 72.052 0.5 . 1 . . . . 68 THR CB . 16572 1 735 . 1 1 68 68 THR CG2 C 13 20.69 0.5 . 1 . . . . 68 THR CG2 . 16572 1 736 . 1 1 68 68 THR N N 15 111.842 0.5 . 1 . . . . 68 THR N . 16572 1 737 . 1 1 69 69 VAL H H 1 8.780 0.05 . 1 . . . . 69 VAL H . 16572 1 738 . 1 1 69 69 VAL HA H 1 4.989 0.05 . 1 . . . . 69 VAL HA . 16572 1 739 . 1 1 69 69 VAL HB H 1 2.345 0.05 . 1 . . . . 69 VAL HB . 16572 1 740 . 1 1 69 69 VAL HG11 H 1 0.9535 0.05 . 2 . . . . 69 VAL HG1 . 16572 1 741 . 1 1 69 69 VAL HG12 H 1 0.9535 0.05 . 2 . . . . 69 VAL HG1 . 16572 1 742 . 1 1 69 69 VAL HG13 H 1 0.9535 0.05 . 2 . . . . 69 VAL HG1 . 16572 1 743 . 1 1 69 69 VAL HG21 H 1 0.9535 0.05 . 2 . . . . 69 VAL HG2 . 16572 1 744 . 1 1 69 69 VAL HG22 H 1 0.9535 0.05 . 2 . . . . 69 VAL HG2 . 16572 1 745 . 1 1 69 69 VAL HG23 H 1 0.9535 0.05 . 2 . . . . 69 VAL HG2 . 16572 1 746 . 1 1 69 69 VAL CA C 13 59.265 0.5 . 1 . . . . 69 VAL CA . 16572 1 747 . 1 1 69 69 VAL CB C 13 33.6 0.5 . 1 . . . . 69 VAL CB . 16572 1 748 . 1 1 69 69 VAL CG1 C 13 19.99 0.5 . 2 . . . . 69 VAL CG1 . 16572 1 749 . 1 1 69 69 VAL CG2 C 13 19.99 0.5 . 2 . . . . 69 VAL CG2 . 16572 1 750 . 1 1 69 69 VAL N N 15 120.958 0.5 . 1 . . . . 69 VAL N . 16572 1 751 . 1 1 70 70 THR H H 1 8.66 0.05 . 1 . . . . 70 THR H . 16572 1 752 . 1 1 70 70 THR HA H 1 4.618 0.05 . 1 . . . . 70 THR HA . 16572 1 753 . 1 1 70 70 THR HB H 1 4.07 0.05 . 1 . . . . 70 THR HB . 16572 1 754 . 1 1 70 70 THR HG21 H 1 -0.183 0.05 . 1 . . . . 70 THR HG2 . 16572 1 755 . 1 1 70 70 THR HG22 H 1 -0.183 0.05 . 1 . . . . 70 THR HG2 . 16572 1 756 . 1 1 70 70 THR HG23 H 1 -0.183 0.05 . 1 . . . . 70 THR HG2 . 16572 1 757 . 1 1 70 70 THR CA C 13 61.73 0.5 . 1 . . . . 70 THR CA . 16572 1 758 . 1 1 70 70 THR CB C 13 69.55 0.5 . 1 . . . . 70 THR CB . 16572 1 759 . 1 1 70 70 THR CG2 C 13 21.3 0.5 . 1 . . . . 70 THR CG2 . 16572 1 760 . 1 1 70 70 THR N N 15 125.533 0.5 . 1 . . . . 70 THR N . 16572 1 761 . 1 1 71 71 ILE H H 1 8.994 0.05 . 1 . . . . 71 ILE H . 16572 1 762 . 1 1 71 71 ILE HA H 1 4.369 0.05 . 1 . . . . 71 ILE HA . 16572 1 763 . 1 1 71 71 ILE HB H 1 1.552 0.05 . 1 . . . . 71 ILE HB . 16572 1 764 . 1 1 71 71 ILE HD11 H 1 0.245 0.05 . 1 . . . . 71 ILE HD1 . 16572 1 765 . 1 1 71 71 ILE HD12 H 1 0.245 0.05 . 1 . . . . 71 ILE HD1 . 16572 1 766 . 1 1 71 71 ILE HD13 H 1 0.245 0.05 . 1 . . . . 71 ILE HD1 . 16572 1 767 . 1 1 71 71 ILE HG12 H 1 0.755 0.05 . 2 . . . . 71 ILE HG12 . 16572 1 768 . 1 1 71 71 ILE HG13 H 1 0.625 0.05 . 2 . . . . 71 ILE HG13 . 16572 1 769 . 1 1 71 71 ILE HG21 H 1 0.013 0.05 . 1 . . . . 71 ILE HG2 . 16572 1 770 . 1 1 71 71 ILE HG22 H 1 0.013 0.05 . 1 . . . . 71 ILE HG2 . 16572 1 771 . 1 1 71 71 ILE HG23 H 1 0.013 0.05 . 1 . . . . 71 ILE HG2 . 16572 1 772 . 1 1 71 71 ILE CA C 13 59.162 0.5 . 1 . . . . 71 ILE CA . 16572 1 773 . 1 1 71 71 ILE CB C 13 36.826 0.5 . 1 . . . . 71 ILE CB . 16572 1 774 . 1 1 71 71 ILE CD1 C 13 13.331 0.5 . 1 . . . . 71 ILE CD1 . 16572 1 775 . 1 1 71 71 ILE CG1 C 13 27.475 0.5 . 1 . . . . 71 ILE CG1 . 16572 1 776 . 1 1 71 71 ILE CG2 C 13 18.477 0.5 . 1 . . . . 71 ILE CG2 . 16572 1 777 . 1 1 71 71 ILE N N 15 127.838 0.5 . 1 . . . . 71 ILE N . 16572 1 778 . 1 1 72 72 TRP H H 1 9.27 0.05 . 1 . . . . 72 TRP H . 16572 1 779 . 1 1 72 72 TRP HA H 1 5.167 0.05 . 1 . . . . 72 TRP HA . 16572 1 780 . 1 1 72 72 TRP HB2 H 1 3.41 0.05 . 2 . . . . 72 TRP HB2 . 16572 1 781 . 1 1 72 72 TRP HB3 H 1 3.034 0.05 . 2 . . . . 72 TRP HB3 . 16572 1 782 . 1 1 72 72 TRP HD1 H 1 7.026 0.05 . 1 . . . . 72 TRP HD1 . 16572 1 783 . 1 1 72 72 TRP HE1 H 1 11.50 0.05 . 1 . . . . 72 TRP HE1 . 16572 1 784 . 1 1 72 72 TRP HE3 H 1 7.567 0.05 . 1 . . . . 72 TRP HE3 . 16572 1 785 . 1 1 72 72 TRP HH2 H 1 6.88 0.05 . 1 . . . . 72 TRP HH2 . 16572 1 786 . 1 1 72 72 TRP HZ2 H 1 7.182 0.05 . 1 . . . . 72 TRP HZ2 . 16572 1 787 . 1 1 72 72 TRP HZ3 H 1 7.075 0.05 . 1 . . . . 72 TRP HZ3 . 16572 1 788 . 1 1 72 72 TRP CA C 13 56.18 0.5 . 1 . . . . 72 TRP CA . 16572 1 789 . 1 1 72 72 TRP CB C 13 31.49 0.5 . 1 . . . . 72 TRP CB . 16572 1 790 . 1 1 72 72 TRP CD1 C 13 126.7 0.5 . 1 . . . . 72 TRP CD1 . 16572 1 791 . 1 1 72 72 TRP CE3 C 13 121.050 0.5 . 1 . . . . 72 TRP CE3 . 16572 1 792 . 1 1 72 72 TRP CH2 C 13 124.1 0.5 . 1 . . . . 72 TRP CH2 . 16572 1 793 . 1 1 72 72 TRP CZ2 C 13 114.3 0.5 . 1 . . . . 72 TRP CZ2 . 16572 1 794 . 1 1 72 72 TRP CZ3 C 13 121.3 0.5 . 1 . . . . 72 TRP CZ3 . 16572 1 795 . 1 1 72 72 TRP N N 15 127.112 0.5 . 1 . . . . 72 TRP N . 16572 1 796 . 1 1 72 72 TRP NE1 N 15 132.2 0.5 . 1 . . . . 72 TRP NE1 . 16572 1 797 . 1 1 73 73 ALA H H 1 9.010 0.05 . 1 . . . . 73 ALA H . 16572 1 798 . 1 1 73 73 ALA HA H 1 4.617 0.05 . 1 . . . . 73 ALA HA . 16572 1 799 . 1 1 73 73 ALA HB1 H 1 1.611 0.05 . 1 . . . . 73 ALA HB . 16572 1 800 . 1 1 73 73 ALA HB2 H 1 1.611 0.05 . 1 . . . . 73 ALA HB . 16572 1 801 . 1 1 73 73 ALA HB3 H 1 1.611 0.05 . 1 . . . . 73 ALA HB . 16572 1 802 . 1 1 73 73 ALA CA C 13 52.11 0.5 . 1 . . . . 73 ALA CA . 16572 1 803 . 1 1 73 73 ALA CB C 13 19.07 0.5 . 1 . . . . 73 ALA CB . 16572 1 804 . 1 1 73 73 ALA N N 15 122.140 0.5 . 1 . . . . 73 ALA N . 16572 1 805 . 1 1 74 74 ALA H H 1 9.002 0.05 . 1 . . . . 74 ALA H . 16572 1 806 . 1 1 74 74 ALA HA H 1 4.042 0.05 . 1 . . . . 74 ALA HA . 16572 1 807 . 1 1 74 74 ALA HB1 H 1 1.59 0.05 . 1 . . . . 74 ALA HB . 16572 1 808 . 1 1 74 74 ALA HB2 H 1 1.59 0.05 . 1 . . . . 74 ALA HB . 16572 1 809 . 1 1 74 74 ALA HB3 H 1 1.59 0.05 . 1 . . . . 74 ALA HB . 16572 1 810 . 1 1 74 74 ALA CA C 13 54.65 0.5 . 1 . . . . 74 ALA CA . 16572 1 811 . 1 1 74 74 ALA CB C 13 18.07 0.5 . 1 . . . . 74 ALA CB . 16572 1 812 . 1 1 74 74 ALA N N 15 123.213 0.5 . 1 . . . . 74 ALA N . 16572 1 813 . 1 1 75 75 ASN H H 1 8.162 0.05 . 1 . . . . 75 ASN H . 16572 1 814 . 1 1 75 75 ASN HA H 1 5.015 0.05 . 1 . . . . 75 ASN HA . 16572 1 815 . 1 1 75 75 ASN HB2 H 1 2.676 0.05 . 2 . . . . 75 ASN HB2 . 16572 1 816 . 1 1 75 75 ASN HB3 H 1 3.213 0.05 . 2 . . . . 75 ASN HB3 . 16572 1 817 . 1 1 75 75 ASN HD21 H 1 7.24 0.05 . 2 . . . . 75 ASN HD21 . 16572 1 818 . 1 1 75 75 ASN HD22 H 1 7.826 0.05 . 2 . . . . 75 ASN HD22 . 16572 1 819 . 1 1 75 75 ASN CA C 13 51.65 0.5 . 1 . . . . 75 ASN CA . 16572 1 820 . 1 1 75 75 ASN CB C 13 36.59 0.5 . 1 . . . . 75 ASN CB . 16572 1 821 . 1 1 75 75 ASN N N 15 112.259 0.5 . 1 . . . . 75 ASN N . 16572 1 822 . 1 1 75 75 ASN ND2 N 15 112.6 0.5 . 1 . . . . 75 ASN ND2 . 16572 1 823 . 1 1 76 76 ALA H H 1 7.605 0.05 . 1 . . . . 76 ALA H . 16572 1 824 . 1 1 76 76 ALA HA H 1 4.281 0.05 . 1 . . . . 76 ALA HA . 16572 1 825 . 1 1 76 76 ALA HB1 H 1 1.881 0.05 . 1 . . . . 76 ALA HB . 16572 1 826 . 1 1 76 76 ALA HB2 H 1 1.881 0.05 . 1 . . . . 76 ALA HB . 16572 1 827 . 1 1 76 76 ALA HB3 H 1 1.881 0.05 . 1 . . . . 76 ALA HB . 16572 1 828 . 1 1 76 76 ALA CA C 13 53.203 0.5 . 1 . . . . 76 ALA CA . 16572 1 829 . 1 1 76 76 ALA CB C 13 20.21 0.5 . 1 . . . . 76 ALA CB . 16572 1 830 . 1 1 76 76 ALA N N 15 120.777 0.5 . 1 . . . . 76 ALA N . 16572 1 831 . 1 1 77 77 GLY H H 1 8.449 0.05 . 1 . . . . 77 GLY H . 16572 1 832 . 1 1 77 77 GLY HA2 H 1 3.960 0.05 . 2 . . . . 77 GLY HA2 . 16572 1 833 . 1 1 77 77 GLY HA3 H 1 3.537 0.05 . 2 . . . . 77 GLY HA3 . 16572 1 834 . 1 1 77 77 GLY CA C 13 45.410 0.5 . 1 . . . . 77 GLY CA . 16572 1 835 . 1 1 77 77 GLY N N 15 107.064 0.5 . 1 . . . . 77 GLY N . 16572 1 836 . 1 1 78 78 VAL H H 1 7.286 0.05 . 1 . . . . 78 VAL H . 16572 1 837 . 1 1 78 78 VAL HA H 1 3.804 0.05 . 1 . . . . 78 VAL HA . 16572 1 838 . 1 1 78 78 VAL HB H 1 0.822 0.05 . 1 . . . . 78 VAL HB . 16572 1 839 . 1 1 78 78 VAL HG11 H 1 -0.585 0.05 . 2 . . . . 78 VAL HG1 . 16572 1 840 . 1 1 78 78 VAL HG12 H 1 -0.585 0.05 . 2 . . . . 78 VAL HG1 . 16572 1 841 . 1 1 78 78 VAL HG13 H 1 -0.585 0.05 . 2 . . . . 78 VAL HG1 . 16572 1 842 . 1 1 78 78 VAL HG21 H 1 -0.249 0.05 . 2 . . . . 78 VAL HG2 . 16572 1 843 . 1 1 78 78 VAL HG22 H 1 -0.249 0.05 . 2 . . . . 78 VAL HG2 . 16572 1 844 . 1 1 78 78 VAL HG23 H 1 -0.249 0.05 . 2 . . . . 78 VAL HG2 . 16572 1 845 . 1 1 78 78 VAL CA C 13 60.736 0.5 . 1 . . . . 78 VAL CA . 16572 1 846 . 1 1 78 78 VAL CB C 13 33.59 0.5 . 1 . . . . 78 VAL CB . 16572 1 847 . 1 1 78 78 VAL CG1 C 13 19.204 0.5 . 2 . . . . 78 VAL CG1 . 16572 1 848 . 1 1 78 78 VAL CG2 C 13 18.793 0.5 . 2 . . . . 78 VAL CG2 . 16572 1 849 . 1 1 78 78 VAL N N 15 120.566 0.5 . 1 . . . . 78 VAL N . 16572 1 850 . 1 1 79 79 THR H H 1 8.148 0.05 . 1 . . . . 79 THR H . 16572 1 851 . 1 1 79 79 THR HA H 1 4.145 0.05 . 1 . . . . 79 THR HA . 16572 1 852 . 1 1 79 79 THR HB H 1 3.972 0.05 . 1 . . . . 79 THR HB . 16572 1 853 . 1 1 79 79 THR HG21 H 1 1.24 0.05 . 1 . . . . 79 THR HG2 . 16572 1 854 . 1 1 79 79 THR HG22 H 1 1.24 0.05 . 1 . . . . 79 THR HG2 . 16572 1 855 . 1 1 79 79 THR HG23 H 1 1.24 0.05 . 1 . . . . 79 THR HG2 . 16572 1 856 . 1 1 79 79 THR CA C 13 61.395 0.5 . 1 . . . . 79 THR CA . 16572 1 857 . 1 1 79 79 THR CB C 13 69.62 0.5 . 1 . . . . 79 THR CB . 16572 1 858 . 1 1 79 79 THR CG2 C 13 21.3 0.5 . 1 . . . . 79 THR CG2 . 16572 1 859 . 1 1 79 79 THR N N 15 121.617 0.5 . 1 . . . . 79 THR N . 16572 1 860 . 1 1 80 80 ALA H H 1 8.593 0.05 . 1 . . . . 80 ALA H . 16572 1 861 . 1 1 80 80 ALA HA H 1 3.703 0.05 . 1 . . . . 80 ALA HA . 16572 1 862 . 1 1 80 80 ALA HB1 H 1 1.556 0.05 . 1 . . . . 80 ALA HB . 16572 1 863 . 1 1 80 80 ALA HB2 H 1 1.556 0.05 . 1 . . . . 80 ALA HB . 16572 1 864 . 1 1 80 80 ALA HB3 H 1 1.556 0.05 . 1 . . . . 80 ALA HB . 16572 1 865 . 1 1 80 80 ALA CA C 13 53.41 0.5 . 1 . . . . 80 ALA CA . 16572 1 866 . 1 1 80 80 ALA CB C 13 19.18 0.5 . 1 . . . . 80 ALA CB . 16572 1 867 . 1 1 80 80 ALA N N 15 126.311 0.5 . 1 . . . . 80 ALA N . 16572 1 868 . 1 1 81 81 SER H H 1 9.101 0.05 . 1 . . . . 81 SER H . 16572 1 869 . 1 1 81 81 SER HA H 1 4.747 0.05 . 1 . . . . 81 SER HA . 16572 1 870 . 1 1 81 81 SER HB2 H 1 3.702 0.05 . 2 . . . . 81 SER HB2 . 16572 1 871 . 1 1 81 81 SER HB3 H 1 4.074 0.05 . 2 . . . . 81 SER HB3 . 16572 1 872 . 1 1 81 81 SER CA C 13 55.046 0.5 . 1 . . . . 81 SER CA . 16572 1 873 . 1 1 81 81 SER CB C 13 62.68 0.5 . 1 . . . . 81 SER CB . 16572 1 874 . 1 1 81 81 SER N N 15 114.816 0.5 . 1 . . . . 81 SER N . 16572 1 875 . 1 1 82 82 PRO HA H 1 4.328 0.05 . 1 . . . . 82 PRO HA . 16572 1 876 . 1 1 82 82 PRO HB2 H 1 2.483 0.05 . 2 . . . . 82 PRO HB2 . 16572 1 877 . 1 1 82 82 PRO HB3 H 1 2.099 0.05 . 2 . . . . 82 PRO HB3 . 16572 1 878 . 1 1 82 82 PRO HD2 H 1 3.59 0.05 . 2 . . . . 82 PRO HD2 . 16572 1 879 . 1 1 82 82 PRO HD3 H 1 3.85 0.05 . 2 . . . . 82 PRO HD3 . 16572 1 880 . 1 1 82 82 PRO HG2 H 1 2.223 0.05 . 2 . . . . 82 PRO HG2 . 16572 1 881 . 1 1 82 82 PRO HG3 H 1 2.081 0.05 . 2 . . . . 82 PRO HG3 . 16572 1 882 . 1 1 82 82 PRO CA C 13 62.158 0.5 . 1 . . . . 82 PRO CA . 16572 1 883 . 1 1 82 82 PRO CB C 13 30.48 0.5 . 1 . . . . 82 PRO CB . 16572 1 884 . 1 1 82 82 PRO CD C 13 49.90 0.5 . 1 . . . . 82 PRO CD . 16572 1 885 . 1 1 82 82 PRO CG C 13 27.808 0.5 . 1 . . . . 82 PRO CG . 16572 1 886 . 1 1 83 83 PRO HA H 1 4.821 0.05 . 1 . . . . 83 PRO HA . 16572 1 887 . 1 1 83 83 PRO HB2 H 1 2.508 0.05 . 2 . . . . 83 PRO HB2 . 16572 1 888 . 1 1 83 83 PRO HB3 H 1 2.461 0.05 . 2 . . . . 83 PRO HB3 . 16572 1 889 . 1 1 83 83 PRO HD2 H 1 3.664 0.05 . 2 . . . . 83 PRO HD2 . 16572 1 890 . 1 1 83 83 PRO HD3 H 1 3.816 0.05 . 2 . . . . 83 PRO HD3 . 16572 1 891 . 1 1 83 83 PRO HG2 H 1 1.938 0.05 . 2 . . . . 83 PRO HG2 . 16572 1 892 . 1 1 83 83 PRO HG3 H 1 2.146 0.05 . 2 . . . . 83 PRO HG3 . 16572 1 893 . 1 1 83 83 PRO CA C 13 64.384 0.5 . 1 . . . . 83 PRO CA . 16572 1 894 . 1 1 83 83 PRO CB C 13 34.75 0.5 . 1 . . . . 83 PRO CB . 16572 1 895 . 1 1 83 83 PRO CD C 13 49.83 0.5 . 1 . . . . 83 PRO CD . 16572 1 896 . 1 1 83 83 PRO CG C 13 24.05 0.5 . 1 . . . . 83 PRO CG . 16572 1 897 . 1 1 84 84 THR H H 1 8.007 0.05 . 1 . . . . 84 THR H . 16572 1 898 . 1 1 84 84 THR HA H 1 4.567 0.05 . 1 . . . . 84 THR HA . 16572 1 899 . 1 1 84 84 THR HB H 1 4.406 0.05 . 1 . . . . 84 THR HB . 16572 1 900 . 1 1 84 84 THR HG21 H 1 1.395 0.05 . 1 . . . . 84 THR HG2 . 16572 1 901 . 1 1 84 84 THR HG22 H 1 1.395 0.05 . 1 . . . . 84 THR HG2 . 16572 1 902 . 1 1 84 84 THR HG23 H 1 1.395 0.05 . 1 . . . . 84 THR HG2 . 16572 1 903 . 1 1 84 84 THR CA C 13 64.77 0.5 . 1 . . . . 84 THR CA . 16572 1 904 . 1 1 84 84 THR CB C 13 69.37 0.5 . 1 . . . . 84 THR CB . 16572 1 905 . 1 1 84 84 THR CG2 C 13 21.51 0.5 . 1 . . . . 84 THR CG2 . 16572 1 906 . 1 1 84 84 THR N N 15 114.629 0.5 . 1 . . . . 84 THR N . 16572 1 907 . 1 1 85 85 ASP H H 1 7.952 0.05 . 1 . . . . 85 ASP H . 16572 1 908 . 1 1 85 85 ASP HA H 1 5.950 0.05 . 1 . . . . 85 ASP HA . 16572 1 909 . 1 1 85 85 ASP HB2 H 1 2.582 0.05 . 2 . . . . 85 ASP HB2 . 16572 1 910 . 1 1 85 85 ASP HB3 H 1 2.335 0.05 . 2 . . . . 85 ASP HB3 . 16572 1 911 . 1 1 85 85 ASP CA C 13 54.11 0.5 . 1 . . . . 85 ASP CA . 16572 1 912 . 1 1 85 85 ASP CB C 13 43.51 0.5 . 1 . . . . 85 ASP CB . 16572 1 913 . 1 1 85 85 ASP N N 15 124.539 0.5 . 1 . . . . 85 ASP N . 16572 1 914 . 1 1 86 86 LEU H H 1 9.271 0.05 . 1 . . . . 86 LEU H . 16572 1 915 . 1 1 86 86 LEU HA H 1 4.953 0.05 . 1 . . . . 86 LEU HA . 16572 1 916 . 1 1 86 86 LEU HB2 H 1 1.467 0.05 . 2 . . . . 86 LEU HB2 . 16572 1 917 . 1 1 86 86 LEU HB3 H 1 1.539 0.05 . 2 . . . . 86 LEU HB3 . 16572 1 918 . 1 1 86 86 LEU HD11 H 1 0.603 0.05 . 2 . . . . 86 LEU HD1 . 16572 1 919 . 1 1 86 86 LEU HD12 H 1 0.603 0.05 . 2 . . . . 86 LEU HD1 . 16572 1 920 . 1 1 86 86 LEU HD13 H 1 0.603 0.05 . 2 . . . . 86 LEU HD1 . 16572 1 921 . 1 1 86 86 LEU HD21 H 1 0.928 0.05 . 2 . . . . 86 LEU HD2 . 16572 1 922 . 1 1 86 86 LEU HD22 H 1 0.928 0.05 . 2 . . . . 86 LEU HD2 . 16572 1 923 . 1 1 86 86 LEU HD23 H 1 0.928 0.05 . 2 . . . . 86 LEU HD2 . 16572 1 924 . 1 1 86 86 LEU HG H 1 1.452 0.05 . 1 . . . . 86 LEU HG . 16572 1 925 . 1 1 86 86 LEU CA C 13 52.23 0.5 . 1 . . . . 86 LEU CA . 16572 1 926 . 1 1 86 86 LEU CB C 13 44.07 0.5 . 1 . . . . 86 LEU CB . 16572 1 927 . 1 1 86 86 LEU CD1 C 13 24.99 0.5 . 2 . . . . 86 LEU CD1 . 16572 1 928 . 1 1 86 86 LEU CD2 C 13 22.31 0.5 . 2 . . . . 86 LEU CD2 . 16572 1 929 . 1 1 86 86 LEU CG C 13 26.99 0.5 . 1 . . . . 86 LEU CG . 16572 1 930 . 1 1 86 86 LEU N N 15 124.265 0.5 . 1 . . . . 86 LEU N . 16572 1 931 . 1 1 87 87 ILE H H 1 8.691 0.05 . 1 . . . . 87 ILE H . 16572 1 932 . 1 1 87 87 ILE HA H 1 4.802 0.05 . 1 . . . . 87 ILE HA . 16572 1 933 . 1 1 87 87 ILE HB H 1 2.073 0.05 . 1 . . . . 87 ILE HB . 16572 1 934 . 1 1 87 87 ILE HD11 H 1 0.703 0.05 . 1 . . . . 87 ILE HD1 . 16572 1 935 . 1 1 87 87 ILE HD12 H 1 0.703 0.05 . 1 . . . . 87 ILE HD1 . 16572 1 936 . 1 1 87 87 ILE HD13 H 1 0.703 0.05 . 1 . . . . 87 ILE HD1 . 16572 1 937 . 1 1 87 87 ILE HG12 H 1 1.436 0.05 . 2 . . . . 87 ILE HG12 . 16572 1 938 . 1 1 87 87 ILE HG13 H 1 1.508 0.05 . 2 . . . . 87 ILE HG13 . 16572 1 939 . 1 1 87 87 ILE HG21 H 1 0.957 0.05 . 1 . . . . 87 ILE HG2 . 16572 1 940 . 1 1 87 87 ILE HG22 H 1 0.957 0.05 . 1 . . . . 87 ILE HG2 . 16572 1 941 . 1 1 87 87 ILE HG23 H 1 0.957 0.05 . 1 . . . . 87 ILE HG2 . 16572 1 942 . 1 1 87 87 ILE CA C 13 58.694 0.5 . 1 . . . . 87 ILE CA . 16572 1 943 . 1 1 87 87 ILE CB C 13 37.945 0.5 . 1 . . . . 87 ILE CB . 16572 1 944 . 1 1 87 87 ILE CD1 C 13 10.495 0.5 . 1 . . . . 87 ILE CD1 . 16572 1 945 . 1 1 87 87 ILE CG1 C 13 28.02 0.5 . 1 . . . . 87 ILE CG1 . 16572 1 946 . 1 1 87 87 ILE CG2 C 13 17.389 0.5 . 1 . . . . 87 ILE CG2 . 16572 1 947 . 1 1 87 87 ILE N N 15 119.475 0.5 . 1 . . . . 87 ILE N . 16572 1 948 . 1 1 88 88 TRP H H 1 9.755 0.05 . 1 . . . . 88 TRP H . 16572 1 949 . 1 1 88 88 TRP HA H 1 4.918 0.05 . 1 . . . . 88 TRP HA . 16572 1 950 . 1 1 88 88 TRP HB2 H 1 2.647 0.05 . 2 . . . . 88 TRP HB2 . 16572 1 951 . 1 1 88 88 TRP HB3 H 1 3.726 0.05 . 2 . . . . 88 TRP HB3 . 16572 1 952 . 1 1 88 88 TRP HD1 H 1 7.414 0.05 . 1 . . . . 88 TRP HD1 . 16572 1 953 . 1 1 88 88 TRP HE1 H 1 9.907 0.05 . 1 . . . . 88 TRP HE1 . 16572 1 954 . 1 1 88 88 TRP HE3 H 1 7.20 0.05 . 1 . . . . 88 TRP HE3 . 16572 1 955 . 1 1 88 88 TRP HH2 H 1 6.72 0.05 . 1 . . . . 88 TRP HH2 . 16572 1 956 . 1 1 88 88 TRP HZ2 H 1 6.989 0.05 . 1 . . . . 88 TRP HZ2 . 16572 1 957 . 1 1 88 88 TRP HZ3 H 1 6.388 0.05 . 1 . . . . 88 TRP HZ3 . 16572 1 958 . 1 1 88 88 TRP CA C 13 54.900 0.5 . 1 . . . . 88 TRP CA . 16572 1 959 . 1 1 88 88 TRP CB C 13 27.27 0.5 . 1 . . . . 88 TRP CB . 16572 1 960 . 1 1 88 88 TRP CD1 C 13 123.9 0.5 . 1 . . . . 88 TRP CD1 . 16572 1 961 . 1 1 88 88 TRP CE3 C 13 124.4 0.5 . 1 . . . . 88 TRP CE3 . 16572 1 962 . 1 1 88 88 TRP CH2 C 13 123.8 0.5 . 1 . . . . 88 TRP CH2 . 16572 1 963 . 1 1 88 88 TRP CZ2 C 13 115.1 0.5 . 1 . . . . 88 TRP CZ2 . 16572 1 964 . 1 1 88 88 TRP CZ3 C 13 119.8 0.5 . 1 . . . . 88 TRP CZ3 . 16572 1 965 . 1 1 88 88 TRP N N 15 132.610 0.5 . 1 . . . . 88 TRP N . 16572 1 966 . 1 1 88 88 TRP NE1 N 15 127.4 0.5 . 1 . . . . 88 TRP NE1 . 16572 1 967 . 1 1 89 89 LYS H H 1 8.282 0.05 . 1 . . . . 89 LYS H . 16572 1 968 . 1 1 89 89 LYS HA H 1 3.996 0.05 . 1 . . . . 89 LYS HA . 16572 1 969 . 1 1 89 89 LYS HB2 H 1 1.913 0.05 . 2 . . . . 89 LYS HB2 . 16572 1 970 . 1 1 89 89 LYS HB3 H 1 2.015 0.05 . 2 . . . . 89 LYS HB3 . 16572 1 971 . 1 1 89 89 LYS HD2 H 1 1.818 0.05 . 2 . . . . 89 LYS HD2 . 16572 1 972 . 1 1 89 89 LYS HD3 H 1 1.818 0.05 . 2 . . . . 89 LYS HD3 . 16572 1 973 . 1 1 89 89 LYS HE2 H 1 3.089 0.05 . 2 . . . . 89 LYS HE2 . 16572 1 974 . 1 1 89 89 LYS HE3 H 1 3.089 0.05 . 2 . . . . 89 LYS HE3 . 16572 1 975 . 1 1 89 89 LYS HG2 H 1 1.521 0.05 . 2 . . . . 89 LYS HG2 . 16572 1 976 . 1 1 89 89 LYS HG3 H 1 1.666 0.05 . 2 . . . . 89 LYS HG3 . 16572 1 977 . 1 1 89 89 LYS CA C 13 58.847 0.5 . 1 . . . . 89 LYS CA . 16572 1 978 . 1 1 89 89 LYS CB C 13 32.36 0.5 . 1 . . . . 89 LYS CB . 16572 1 979 . 1 1 89 89 LYS CD C 13 29.12 0.5 . 1 . . . . 89 LYS CD . 16572 1 980 . 1 1 89 89 LYS CE C 13 41.90 0.5 . 1 . . . . 89 LYS CE . 16572 1 981 . 1 1 89 89 LYS CG C 13 24.90 0.5 . 1 . . . . 89 LYS CG . 16572 1 982 . 1 1 89 89 LYS N N 15 125.513 0.5 . 1 . . . . 89 LYS N . 16572 1 983 . 1 1 90 90 ASN H H 1 8.81 0.05 . 1 . . . . 90 ASN H . 16572 1 984 . 1 1 90 90 ASN HA H 1 4.434 0.05 . 1 . . . . 90 ASN HA . 16572 1 985 . 1 1 90 90 ASN HB2 H 1 3.069 0.05 . 2 . . . . 90 ASN HB2 . 16572 1 986 . 1 1 90 90 ASN HB3 H 1 3.048 0.05 . 2 . . . . 90 ASN HB3 . 16572 1 987 . 1 1 90 90 ASN HD21 H 1 7.033 0.05 . 2 . . . . 90 ASN HD21 . 16572 1 988 . 1 1 90 90 ASN HD22 H 1 7.676 0.05 . 2 . . . . 90 ASN HD22 . 16572 1 989 . 1 1 90 90 ASN CA C 13 54.010 0.5 . 1 . . . . 90 ASN CA . 16572 1 990 . 1 1 90 90 ASN CB C 13 37.77 0.5 . 1 . . . . 90 ASN CB . 16572 1 991 . 1 1 90 90 ASN N N 15 114.946 0.5 . 1 . . . . 90 ASN N . 16572 1 992 . 1 1 90 90 ASN ND2 N 15 113.0 0.5 . 1 . . . . 90 ASN ND2 . 16572 1 993 . 1 1 91 91 GLN H H 1 7.546 0.05 . 1 . . . . 91 GLN H . 16572 1 994 . 1 1 91 91 GLN HA H 1 4.412 0.05 . 1 . . . . 91 GLN HA . 16572 1 995 . 1 1 91 91 GLN HB2 H 1 0.929 0.05 . 2 . . . . 91 GLN HB2 . 16572 1 996 . 1 1 91 91 GLN HB3 H 1 1.22 0.05 . 2 . . . . 91 GLN HB3 . 16572 1 997 . 1 1 91 91 GLN HE21 H 1 6.780 0.05 . 2 . . . . 91 GLN HE21 . 16572 1 998 . 1 1 91 91 GLN HE22 H 1 7.408 0.05 . 2 . . . . 91 GLN HE22 . 16572 1 999 . 1 1 91 91 GLN HG2 H 1 0.784 0.05 . 2 . . . . 91 GLN HG2 . 16572 1 1000 . 1 1 91 91 GLN HG3 H 1 1.373 0.05 . 2 . . . . 91 GLN HG3 . 16572 1 1001 . 1 1 91 91 GLN CA C 13 53.52 0.5 . 1 . . . . 91 GLN CA . 16572 1 1002 . 1 1 91 91 GLN CB C 13 28.47 0.5 . 1 . . . . 91 GLN CB . 16572 1 1003 . 1 1 91 91 GLN CG C 13 31.692 0.5 . 1 . . . . 91 GLN CG . 16572 1 1004 . 1 1 91 91 GLN N N 15 117.746 0.5 . 1 . . . . 91 GLN N . 16572 1 1005 . 1 1 91 91 GLN NE2 N 15 113.000 0.5 . 1 . . . . 91 GLN NE2 . 16572 1 1006 . 1 1 92 92 ASN H H 1 8.451 0.05 . 1 . . . . 92 ASN H . 16572 1 1007 . 1 1 92 92 ASN HA H 1 4.876 0.05 . 1 . . . . 92 ASN HA . 16572 1 1008 . 1 1 92 92 ASN HB2 H 1 2.723 0.05 . 2 . . . . 92 ASN HB2 . 16572 1 1009 . 1 1 92 92 ASN HB3 H 1 2.93 0.05 . 2 . . . . 92 ASN HB3 . 16572 1 1010 . 1 1 92 92 ASN HD21 H 1 6.675 0.05 . 2 . . . . 92 ASN HD21 . 16572 1 1011 . 1 1 92 92 ASN HD22 H 1 7.399 0.05 . 2 . . . . 92 ASN HD22 . 16572 1 1012 . 1 1 92 92 ASN CA C 13 52.08 0.5 . 1 . . . . 92 ASN CA . 16572 1 1013 . 1 1 92 92 ASN CB C 13 39.40 0.5 . 1 . . . . 92 ASN CB . 16572 1 1014 . 1 1 92 92 ASN N N 15 123.697 0.5 . 1 . . . . 92 ASN N . 16572 1 1015 . 1 1 92 92 ASN ND2 N 15 110.0 0.5 . 1 . . . . 92 ASN ND2 . 16572 1 1016 . 1 1 93 93 SER H H 1 9.337 0.05 . 1 . . . . 93 SER H . 16572 1 1017 . 1 1 93 93 SER HA H 1 3.977 0.05 . 1 . . . . 93 SER HA . 16572 1 1018 . 1 1 93 93 SER HB2 H 1 3.736 0.05 . 2 . . . . 93 SER HB2 . 16572 1 1019 . 1 1 93 93 SER HB3 H 1 3.516 0.05 . 2 . . . . 93 SER HB3 . 16572 1 1020 . 1 1 93 93 SER CA C 13 58.94 0.5 . 1 . . . . 93 SER CA . 16572 1 1021 . 1 1 93 93 SER CB C 13 62.94 0.5 . 1 . . . . 93 SER CB . 16572 1 1022 . 1 1 93 93 SER N N 15 117.010 0.5 . 1 . . . . 93 SER N . 16572 1 1023 . 1 1 94 94 TRP H H 1 7.857 0.05 . 1 . . . . 94 TRP H . 16572 1 1024 . 1 1 94 94 TRP HA H 1 4.905 0.05 . 1 . . . . 94 TRP HA . 16572 1 1025 . 1 1 94 94 TRP HB2 H 1 3.426 0.05 . 2 . . . . 94 TRP HB2 . 16572 1 1026 . 1 1 94 94 TRP HB3 H 1 2.941 0.05 . 2 . . . . 94 TRP HB3 . 16572 1 1027 . 1 1 94 94 TRP HD1 H 1 7.065 0.05 . 1 . . . . 94 TRP HD1 . 16572 1 1028 . 1 1 94 94 TRP HE1 H 1 10.53 0.05 . 1 . . . . 94 TRP HE1 . 16572 1 1029 . 1 1 94 94 TRP HE3 H 1 7.066 0.05 . 1 . . . . 94 TRP HE3 . 16572 1 1030 . 1 1 94 94 TRP HH2 H 1 6.805 0.05 . 1 . . . . 94 TRP HH2 . 16572 1 1031 . 1 1 94 94 TRP HZ2 H 1 7.064 0.05 . 1 . . . . 94 TRP HZ2 . 16572 1 1032 . 1 1 94 94 TRP HZ3 H 1 7.02 0.05 . 1 . . . . 94 TRP HZ3 . 16572 1 1033 . 1 1 94 94 TRP CA C 13 56.77 0.5 . 1 . . . . 94 TRP CA . 16572 1 1034 . 1 1 94 94 TRP CB C 13 27.9 0.5 . 1 . . . . 94 TRP CB . 16572 1 1035 . 1 1 94 94 TRP CD1 C 13 128.00 0.5 . 1 . . . . 94 TRP CD1 . 16572 1 1036 . 1 1 94 94 TRP CH2 C 13 121.6 0.5 . 1 . . . . 94 TRP CH2 . 16572 1 1037 . 1 1 94 94 TRP CZ2 C 13 113.4 0.5 . 1 . . . . 94 TRP CZ2 . 16572 1 1038 . 1 1 94 94 TRP CZ3 C 13 120.00 0.5 . 1 . . . . 94 TRP CZ3 . 16572 1 1039 . 1 1 94 94 TRP N N 15 120.449 0.5 . 1 . . . . 94 TRP N . 16572 1 1040 . 1 1 94 94 TRP NE1 N 15 131.6 0.5 . 1 . . . . 94 TRP NE1 . 16572 1 1041 . 1 1 95 95 GLY H H 1 7.795 0.05 . 1 . . . . 95 GLY H . 16572 1 1042 . 1 1 95 95 GLY HA2 H 1 3.953 0.05 . 2 . . . . 95 GLY HA2 . 16572 1 1043 . 1 1 95 95 GLY HA3 H 1 3.763 0.05 . 2 . . . . 95 GLY HA3 . 16572 1 1044 . 1 1 95 95 GLY CA C 13 45.487 0.5 . 1 . . . . 95 GLY CA . 16572 1 1045 . 1 1 95 95 GLY N N 15 109.481 0.5 . 1 . . . . 95 GLY N . 16572 1 1046 . 1 1 96 96 THR H H 1 8.028 0.05 . 1 . . . . 96 THR H . 16572 1 1047 . 1 1 96 96 THR HA H 1 4.696 0.05 . 1 . . . . 96 THR HA . 16572 1 1048 . 1 1 96 96 THR HB H 1 4.127 0.05 . 1 . . . . 96 THR HB . 16572 1 1049 . 1 1 96 96 THR HG21 H 1 1.174 0.05 . 1 . . . . 96 THR HG2 . 16572 1 1050 . 1 1 96 96 THR HG22 H 1 1.174 0.05 . 1 . . . . 96 THR HG2 . 16572 1 1051 . 1 1 96 96 THR HG23 H 1 1.174 0.05 . 1 . . . . 96 THR HG2 . 16572 1 1052 . 1 1 96 96 THR CA C 13 60.88 0.5 . 1 . . . . 96 THR CA . 16572 1 1053 . 1 1 96 96 THR CB C 13 70.04 0.5 . 1 . . . . 96 THR CB . 16572 1 1054 . 1 1 96 96 THR CG2 C 13 20.688 0.5 . 1 . . . . 96 THR CG2 . 16572 1 1055 . 1 1 96 96 THR N N 15 112.538 0.5 . 1 . . . . 96 THR N . 16572 1 1056 . 1 1 97 97 GLY H H 1 8.443 0.05 . 1 . . . . 97 GLY H . 16572 1 1057 . 1 1 97 97 GLY HA2 H 1 3.482 0.05 . 2 . . . . 97 GLY HA2 . 16572 1 1058 . 1 1 97 97 GLY HA3 H 1 3.862 0.05 . 2 . . . . 97 GLY HA3 . 16572 1 1059 . 1 1 97 97 GLY CA C 13 45.945 0.5 . 1 . . . . 97 GLY CA . 16572 1 1060 . 1 1 97 97 GLY N N 15 111.464 0.5 . 1 . . . . 97 GLY N . 16572 1 1061 . 1 1 98 98 GLU H H 1 8.010 0.05 . 1 . . . . 98 GLU H . 16572 1 1062 . 1 1 98 98 GLU HA H 1 4.471 0.05 . 1 . . . . 98 GLU HA . 16572 1 1063 . 1 1 98 98 GLU HB2 H 1 1.87 0.05 . 2 . . . . 98 GLU HB2 . 16572 1 1064 . 1 1 98 98 GLU HB3 H 1 1.973 0.05 . 2 . . . . 98 GLU HB3 . 16572 1 1065 . 1 1 98 98 GLU HG2 H 1 2.414 0.05 . 2 . . . . 98 GLU HG2 . 16572 1 1066 . 1 1 98 98 GLU HG3 H 1 2.210 0.05 . 2 . . . . 98 GLU HG3 . 16572 1 1067 . 1 1 98 98 GLU CA C 13 54.73 0.5 . 1 . . . . 98 GLU CA . 16572 1 1068 . 1 1 98 98 GLU CB C 13 30.719 0.5 . 1 . . . . 98 GLU CB . 16572 1 1069 . 1 1 98 98 GLU CG C 13 33.35 0.5 . 1 . . . . 98 GLU CG . 16572 1 1070 . 1 1 98 98 GLU N N 15 118.563 0.5 . 1 . . . . 98 GLU N . 16572 1 1071 . 1 1 99 99 ASP H H 1 8.68 0.05 . 1 . . . . 99 ASP H . 16572 1 1072 . 1 1 99 99 ASP HA H 1 4.612 0.05 . 1 . . . . 99 ASP HA . 16572 1 1073 . 1 1 99 99 ASP HB2 H 1 2.607 0.05 . 2 . . . . 99 ASP HB2 . 16572 1 1074 . 1 1 99 99 ASP HB3 H 1 2.772 0.05 . 2 . . . . 99 ASP HB3 . 16572 1 1075 . 1 1 99 99 ASP CA C 13 54.451 0.5 . 1 . . . . 99 ASP CA . 16572 1 1076 . 1 1 99 99 ASP CB C 13 39.540 0.5 . 1 . . . . 99 ASP CB . 16572 1 1077 . 1 1 99 99 ASP N N 15 122.219 0.5 . 1 . . . . 99 ASP N . 16572 1 1078 . 1 1 100 100 VAL H H 1 8.215 0.05 . 1 . . . . 100 VAL H . 16572 1 1079 . 1 1 100 100 VAL HA H 1 4.495 0.05 . 1 . . . . 100 VAL HA . 16572 1 1080 . 1 1 100 100 VAL HB H 1 1.973 0.05 . 1 . . . . 100 VAL HB . 16572 1 1081 . 1 1 100 100 VAL HG11 H 1 0.827 0.05 . 2 . . . . 100 VAL HG1 . 16572 1 1082 . 1 1 100 100 VAL HG12 H 1 0.827 0.05 . 2 . . . . 100 VAL HG1 . 16572 1 1083 . 1 1 100 100 VAL HG13 H 1 0.827 0.05 . 2 . . . . 100 VAL HG1 . 16572 1 1084 . 1 1 100 100 VAL HG21 H 1 0.589 0.05 . 2 . . . . 100 VAL HG2 . 16572 1 1085 . 1 1 100 100 VAL HG22 H 1 0.589 0.05 . 2 . . . . 100 VAL HG2 . 16572 1 1086 . 1 1 100 100 VAL HG23 H 1 0.589 0.05 . 2 . . . . 100 VAL HG2 . 16572 1 1087 . 1 1 100 100 VAL CA C 13 60.920 0.5 . 1 . . . . 100 VAL CA . 16572 1 1088 . 1 1 100 100 VAL CB C 13 34.15 0.5 . 1 . . . . 100 VAL CB . 16572 1 1089 . 1 1 100 100 VAL CG1 C 13 20.63 0.5 . 2 . . . . 100 VAL CG1 . 16572 1 1090 . 1 1 100 100 VAL CG2 C 13 21.166 0.5 . 2 . . . . 100 VAL CG2 . 16572 1 1091 . 1 1 100 100 VAL N N 15 123.901 0.5 . 1 . . . . 100 VAL N . 16572 1 1092 . 1 1 101 101 LYS H H 1 8.600 0.05 . 1 . . . . 101 LYS H . 16572 1 1093 . 1 1 101 101 LYS HA H 1 5.112 0.05 . 1 . . . . 101 LYS HA . 16572 1 1094 . 1 1 101 101 LYS HB2 H 1 1.761 0.05 . 2 . . . . 101 LYS HB2 . 16572 1 1095 . 1 1 101 101 LYS HB3 H 1 1.761 0.05 . 2 . . . . 101 LYS HB3 . 16572 1 1096 . 1 1 101 101 LYS HD2 H 1 1.60 0.05 . 2 . . . . 101 LYS HD2 . 16572 1 1097 . 1 1 101 101 LYS HD3 H 1 1.60 0.05 . 2 . . . . 101 LYS HD3 . 16572 1 1098 . 1 1 101 101 LYS HE2 H 1 2.868 0.05 . 2 . . . . 101 LYS HE2 . 16572 1 1099 . 1 1 101 101 LYS HE3 H 1 2.868 0.05 . 2 . . . . 101 LYS HE3 . 16572 1 1100 . 1 1 101 101 LYS HG2 H 1 1.226 0.05 . 2 . . . . 101 LYS HG2 . 16572 1 1101 . 1 1 101 101 LYS HG3 H 1 1.372 0.05 . 2 . . . . 101 LYS HG3 . 16572 1 1102 . 1 1 101 101 LYS CA C 13 54.718 0.5 . 1 . . . . 101 LYS CA . 16572 1 1103 . 1 1 101 101 LYS CB C 13 35.326 0.5 . 1 . . . . 101 LYS CB . 16572 1 1104 . 1 1 101 101 LYS CD C 13 29.400 0.5 . 1 . . . . 101 LYS CD . 16572 1 1105 . 1 1 101 101 LYS CE C 13 41.984 0.5 . 1 . . . . 101 LYS CE . 16572 1 1106 . 1 1 101 101 LYS CG C 13 24.826 0.5 . 1 . . . . 101 LYS CG . 16572 1 1107 . 1 1 101 101 LYS N N 15 126.635 0.5 . 1 . . . . 101 LYS N . 16572 1 1108 . 1 1 102 102 VAL H H 1 9.209 0.05 . 1 . . . . 102 VAL H . 16572 1 1109 . 1 1 102 102 VAL HA H 1 5.405 0.05 . 1 . . . . 102 VAL HA . 16572 1 1110 . 1 1 102 102 VAL HB H 1 1.850 0.05 . 1 . . . . 102 VAL HB . 16572 1 1111 . 1 1 102 102 VAL HG11 H 1 0.894 0.05 . 2 . . . . 102 VAL HG1 . 16572 1 1112 . 1 1 102 102 VAL HG12 H 1 0.894 0.05 . 2 . . . . 102 VAL HG1 . 16572 1 1113 . 1 1 102 102 VAL HG13 H 1 0.894 0.05 . 2 . . . . 102 VAL HG1 . 16572 1 1114 . 1 1 102 102 VAL HG21 H 1 0.894 0.05 . 2 . . . . 102 VAL HG2 . 16572 1 1115 . 1 1 102 102 VAL HG22 H 1 0.894 0.05 . 2 . . . . 102 VAL HG2 . 16572 1 1116 . 1 1 102 102 VAL HG23 H 1 0.894 0.05 . 2 . . . . 102 VAL HG2 . 16572 1 1117 . 1 1 102 102 VAL CA C 13 59.95 0.5 . 1 . . . . 102 VAL CA . 16572 1 1118 . 1 1 102 102 VAL CB C 13 34.42 0.5 . 1 . . . . 102 VAL CB . 16572 1 1119 . 1 1 102 102 VAL CG1 C 13 21.47 0.5 . 2 . . . . 102 VAL CG1 . 16572 1 1120 . 1 1 102 102 VAL CG2 C 13 21.87 0.5 . 2 . . . . 102 VAL CG2 . 16572 1 1121 . 1 1 102 102 VAL N N 15 125.573 0.5 . 1 . . . . 102 VAL N . 16572 1 1122 . 1 1 103 103 ILE H H 1 8.968 0.05 . 1 . . . . 103 ILE H . 16572 1 1123 . 1 1 103 103 ILE HA H 1 4.671 0.05 . 1 . . . . 103 ILE HA . 16572 1 1124 . 1 1 103 103 ILE HB H 1 1.66 0.05 . 1 . . . . 103 ILE HB . 16572 1 1125 . 1 1 103 103 ILE HD11 H 1 0.809 0.05 . 1 . . . . 103 ILE HD1 . 16572 1 1126 . 1 1 103 103 ILE HD12 H 1 0.809 0.05 . 1 . . . . 103 ILE HD1 . 16572 1 1127 . 1 1 103 103 ILE HD13 H 1 0.809 0.05 . 1 . . . . 103 ILE HD1 . 16572 1 1128 . 1 1 103 103 ILE HG12 H 1 1.071 0.05 . 2 . . . . 103 ILE HG12 . 16572 1 1129 . 1 1 103 103 ILE HG13 H 1 1.414 0.05 . 2 . . . . 103 ILE HG13 . 16572 1 1130 . 1 1 103 103 ILE HG21 H 1 0.9126 0.05 . 1 . . . . 103 ILE HG2 . 16572 1 1131 . 1 1 103 103 ILE HG22 H 1 0.9126 0.05 . 1 . . . . 103 ILE HG2 . 16572 1 1132 . 1 1 103 103 ILE HG23 H 1 0.9126 0.05 . 1 . . . . 103 ILE HG2 . 16572 1 1133 . 1 1 103 103 ILE CA C 13 59.79 0.5 . 1 . . . . 103 ILE CA . 16572 1 1134 . 1 1 103 103 ILE CB C 13 42.522 0.5 . 1 . . . . 103 ILE CB . 16572 1 1135 . 1 1 103 103 ILE CD1 C 13 14.296 0.5 . 1 . . . . 103 ILE CD1 . 16572 1 1136 . 1 1 103 103 ILE CG1 C 13 28.072 0.5 . 1 . . . . 103 ILE CG1 . 16572 1 1137 . 1 1 103 103 ILE CG2 C 13 18.25 0.5 . 1 . . . . 103 ILE CG2 . 16572 1 1138 . 1 1 103 103 ILE N N 15 125.593 0.5 . 1 . . . . 103 ILE N . 16572 1 1139 . 1 1 104 104 LEU H H 1 9.017 0.05 . 1 . . . . 104 LEU H . 16572 1 1140 . 1 1 104 104 LEU HA H 1 5.361 0.05 . 1 . . . . 104 LEU HA . 16572 1 1141 . 1 1 104 104 LEU HB2 H 1 1.983 0.05 . 2 . . . . 104 LEU HB2 . 16572 1 1142 . 1 1 104 104 LEU HB3 H 1 1.036 0.05 . 2 . . . . 104 LEU HB3 . 16572 1 1143 . 1 1 104 104 LEU HD11 H 1 1.073 0.05 . 2 . . . . 104 LEU HD1 . 16572 1 1144 . 1 1 104 104 LEU HD12 H 1 1.073 0.05 . 2 . . . . 104 LEU HD1 . 16572 1 1145 . 1 1 104 104 LEU HD13 H 1 1.073 0.05 . 2 . . . . 104 LEU HD1 . 16572 1 1146 . 1 1 104 104 LEU HD21 H 1 1.073 0.05 . 2 . . . . 104 LEU HD2 . 16572 1 1147 . 1 1 104 104 LEU HD22 H 1 1.073 0.05 . 2 . . . . 104 LEU HD2 . 16572 1 1148 . 1 1 104 104 LEU HD23 H 1 1.073 0.05 . 2 . . . . 104 LEU HD2 . 16572 1 1149 . 1 1 104 104 LEU HG H 1 0.924 0.05 . 1 . . . . 104 LEU HG . 16572 1 1150 . 1 1 104 104 LEU CA C 13 52.8 0.5 . 1 . . . . 104 LEU CA . 16572 1 1151 . 1 1 104 104 LEU CB C 13 46.2 0.5 . 1 . . . . 104 LEU CB . 16572 1 1152 . 1 1 104 104 LEU CD1 C 13 23.5 0.5 . 2 . . . . 104 LEU CD1 . 16572 1 1153 . 1 1 104 104 LEU CD2 C 13 23.5 0.5 . 2 . . . . 104 LEU CD2 . 16572 1 1154 . 1 1 104 104 LEU CG C 13 26.630 0.5 . 1 . . . . 104 LEU CG . 16572 1 1155 . 1 1 104 104 LEU N N 15 127.791 0.5 . 1 . . . . 104 LEU N . 16572 1 1156 . 1 1 105 105 LYS H H 1 9.674 0.05 . 1 . . . . 105 LYS H . 16572 1 1157 . 1 1 105 105 LYS HA H 1 5.194 0.05 . 1 . . . . 105 LYS HA . 16572 1 1158 . 1 1 105 105 LYS HB2 H 1 1.712 0.05 . 2 . . . . 105 LYS HB2 . 16572 1 1159 . 1 1 105 105 LYS HB3 H 1 1.436 0.05 . 2 . . . . 105 LYS HB3 . 16572 1 1160 . 1 1 105 105 LYS HD2 H 1 1.477 0.05 . 2 . . . . 105 LYS HD2 . 16572 1 1161 . 1 1 105 105 LYS HD3 H 1 1.582 0.05 . 2 . . . . 105 LYS HD3 . 16572 1 1162 . 1 1 105 105 LYS HE2 H 1 2.764 0.05 . 2 . . . . 105 LYS HE2 . 16572 1 1163 . 1 1 105 105 LYS HE3 H 1 2.764 0.05 . 2 . . . . 105 LYS HE3 . 16572 1 1164 . 1 1 105 105 LYS HG2 H 1 1.256 0.05 . 2 . . . . 105 LYS HG2 . 16572 1 1165 . 1 1 105 105 LYS HG3 H 1 0.919 0.05 . 2 . . . . 105 LYS HG3 . 16572 1 1166 . 1 1 105 105 LYS CA C 13 53.78 0.5 . 1 . . . . 105 LYS CA . 16572 1 1167 . 1 1 105 105 LYS CB C 13 36.33 0.5 . 1 . . . . 105 LYS CB . 16572 1 1168 . 1 1 105 105 LYS CD C 13 29.64 0.5 . 1 . . . . 105 LYS CD . 16572 1 1169 . 1 1 105 105 LYS CE C 13 41.6 0.5 . 1 . . . . 105 LYS CE . 16572 1 1170 . 1 1 105 105 LYS CG C 13 25.12 0.5 . 1 . . . . 105 LYS CG . 16572 1 1171 . 1 1 105 105 LYS N N 15 126.536 0.5 . 1 . . . . 105 LYS N . 16572 1 1172 . 1 1 106 106 ASN H H 1 7.774 0.05 . 1 . . . . 106 ASN H . 16572 1 1173 . 1 1 106 106 ASN HA H 1 2.714 0.05 . 1 . . . . 106 ASN HA . 16572 1 1174 . 1 1 106 106 ASN HB2 H 1 2.714 0.05 . 2 . . . . 106 ASN HB2 . 16572 1 1175 . 1 1 106 106 ASN HB3 H 1 1.388 0.05 . 2 . . . . 106 ASN HB3 . 16572 1 1176 . 1 1 106 106 ASN HD21 H 1 7.449 0.05 . 2 . . . . 106 ASN HD21 . 16572 1 1177 . 1 1 106 106 ASN HD22 H 1 7.383 0.05 . 2 . . . . 106 ASN HD22 . 16572 1 1178 . 1 1 106 106 ASN CA C 13 49.53 0.5 . 1 . . . . 106 ASN CA . 16572 1 1179 . 1 1 106 106 ASN CB C 13 36.94 0.5 . 1 . . . . 106 ASN CB . 16572 1 1180 . 1 1 106 106 ASN N N 15 116.550 0.5 . 1 . . . . 106 ASN N . 16572 1 1181 . 1 1 106 106 ASN ND2 N 15 112.3 0.5 . 1 . . . . 106 ASN ND2 . 16572 1 1182 . 1 1 107 107 SER H H 1 6.988 0.05 . 1 . . . . 107 SER H . 16572 1 1183 . 1 1 107 107 SER HA H 1 4.092 0.05 . 1 . . . . 107 SER HA . 16572 1 1184 . 1 1 107 107 SER HB2 H 1 4.151 0.05 . 2 . . . . 107 SER HB2 . 16572 1 1185 . 1 1 107 107 SER HB3 H 1 4.151 0.05 . 2 . . . . 107 SER HB3 . 16572 1 1186 . 1 1 107 107 SER CA C 13 60.49 0.5 . 1 . . . . 107 SER CA . 16572 1 1187 . 1 1 107 107 SER CB C 13 62.51 0.5 . 1 . . . . 107 SER CB . 16572 1 1188 . 1 1 107 107 SER N N 15 112.4 0.5 . 1 . . . . 107 SER N . 16572 1 1189 . 1 1 108 108 GLN H H 1 7.414 0.05 . 1 . . . . 108 GLN H . 16572 1 1190 . 1 1 108 108 GLN HA H 1 4.404 0.05 . 1 . . . . 108 GLN HA . 16572 1 1191 . 1 1 108 108 GLN HB2 H 1 1.89 0.05 . 2 . . . . 108 GLN HB2 . 16572 1 1192 . 1 1 108 108 GLN HB3 H 1 2.238 0.05 . 2 . . . . 108 GLN HB3 . 16572 1 1193 . 1 1 108 108 GLN HE21 H 1 6.780 0.05 . 2 . . . . 108 GLN HE21 . 16572 1 1194 . 1 1 108 108 GLN HE22 H 1 7.445 0.05 . 2 . . . . 108 GLN HE22 . 16572 1 1195 . 1 1 108 108 GLN HG2 H 1 2.297 0.05 . 2 . . . . 108 GLN HG2 . 16572 1 1196 . 1 1 108 108 GLN HG3 H 1 2.256 0.05 . 2 . . . . 108 GLN HG3 . 16572 1 1197 . 1 1 108 108 GLN CA C 13 55.47 0.5 . 1 . . . . 108 GLN CA . 16572 1 1198 . 1 1 108 108 GLN CB C 13 28.4 0.5 . 1 . . . . 108 GLN CB . 16572 1 1199 . 1 1 108 108 GLN CG C 13 34.543 0.5 . 1 . . . . 108 GLN CG . 16572 1 1200 . 1 1 108 108 GLN N N 15 119.000 0.5 . 1 . . . . 108 GLN N . 16572 1 1201 . 1 1 108 108 GLN NE2 N 15 112.6 0.5 . 1 . . . . 108 GLN NE2 . 16572 1 1202 . 1 1 109 109 GLY H H 1 7.835 0.05 . 1 . . . . 109 GLY H . 16572 1 1203 . 1 1 109 109 GLY HA2 H 1 4.136 0.05 . 2 . . . . 109 GLY HA2 . 16572 1 1204 . 1 1 109 109 GLY HA3 H 1 3.530 0.05 . 2 . . . . 109 GLY HA3 . 16572 1 1205 . 1 1 109 109 GLY CA C 13 45.549 0.5 . 1 . . . . 109 GLY CA . 16572 1 1206 . 1 1 109 109 GLY N N 15 107.333 0.5 . 1 . . . . 109 GLY N . 16572 1 1207 . 1 1 110 110 GLU H H 1 7.562 0.05 . 1 . . . . 110 GLU H . 16572 1 1208 . 1 1 110 110 GLU HA H 1 4.209 0.05 . 1 . . . . 110 GLU HA . 16572 1 1209 . 1 1 110 110 GLU HB2 H 1 1.734 0.05 . 2 . . . . 110 GLU HB2 . 16572 1 1210 . 1 1 110 110 GLU HB3 H 1 1.731 0.05 . 2 . . . . 110 GLU HB3 . 16572 1 1211 . 1 1 110 110 GLU HG2 H 1 2.080 0.05 . 2 . . . . 110 GLU HG2 . 16572 1 1212 . 1 1 110 110 GLU HG3 H 1 2.085 0.05 . 2 . . . . 110 GLU HG3 . 16572 1 1213 . 1 1 110 110 GLU CA C 13 54.32 0.5 . 1 . . . . 110 GLU CA . 16572 1 1214 . 1 1 110 110 GLU CB C 13 29.760 0.5 . 1 . . . . 110 GLU CB . 16572 1 1215 . 1 1 110 110 GLU CG C 13 35.231 0.5 . 1 . . . . 110 GLU CG . 16572 1 1216 . 1 1 110 110 GLU N N 15 120.137 0.5 . 1 . . . . 110 GLU N . 16572 1 1217 . 1 1 111 111 GLU H H 1 8.799 0.05 . 1 . . . . 111 GLU H . 16572 1 1218 . 1 1 111 111 GLU HA H 1 4.194 0.05 . 1 . . . . 111 GLU HA . 16572 1 1219 . 1 1 111 111 GLU HB2 H 1 1.952 0.05 . 2 . . . . 111 GLU HB2 . 16572 1 1220 . 1 1 111 111 GLU HB3 H 1 1.862 0.05 . 2 . . . . 111 GLU HB3 . 16572 1 1221 . 1 1 111 111 GLU HG2 H 1 2.295 0.05 . 2 . . . . 111 GLU HG2 . 16572 1 1222 . 1 1 111 111 GLU HG3 H 1 1.979 0.05 . 2 . . . . 111 GLU HG3 . 16572 1 1223 . 1 1 111 111 GLU CA C 13 57.16 0.5 . 1 . . . . 111 GLU CA . 16572 1 1224 . 1 1 111 111 GLU CB C 13 29.175 0.5 . 1 . . . . 111 GLU CB . 16572 1 1225 . 1 1 111 111 GLU CG C 13 35.45 0.5 . 1 . . . . 111 GLU CG . 16572 1 1226 . 1 1 111 111 GLU N N 15 123.867 0.5 . 1 . . . . 111 GLU N . 16572 1 1227 . 1 1 112 112 VAL H H 1 9.093 0.05 . 1 . . . . 112 VAL H . 16572 1 1228 . 1 1 112 112 VAL HA H 1 4.330 0.05 . 1 . . . . 112 VAL HA . 16572 1 1229 . 1 1 112 112 VAL HB H 1 2.03 0.05 . 1 . . . . 112 VAL HB . 16572 1 1230 . 1 1 112 112 VAL HG11 H 1 0.524 0.05 . 2 . . . . 112 VAL HG1 . 16572 1 1231 . 1 1 112 112 VAL HG12 H 1 0.524 0.05 . 2 . . . . 112 VAL HG1 . 16572 1 1232 . 1 1 112 112 VAL HG13 H 1 0.524 0.05 . 2 . . . . 112 VAL HG1 . 16572 1 1233 . 1 1 112 112 VAL HG21 H 1 0.851 0.05 . 2 . . . . 112 VAL HG2 . 16572 1 1234 . 1 1 112 112 VAL HG22 H 1 0.851 0.05 . 2 . . . . 112 VAL HG2 . 16572 1 1235 . 1 1 112 112 VAL HG23 H 1 0.851 0.05 . 2 . . . . 112 VAL HG2 . 16572 1 1236 . 1 1 112 112 VAL CA C 13 61.529 0.5 . 1 . . . . 112 VAL CA . 16572 1 1237 . 1 1 112 112 VAL CB C 13 33.23 0.5 . 1 . . . . 112 VAL CB . 16572 1 1238 . 1 1 112 112 VAL CG1 C 13 19.357 0.5 . 2 . . . . 112 VAL CG1 . 16572 1 1239 . 1 1 112 112 VAL CG2 C 13 21.273 0.5 . 2 . . . . 112 VAL CG2 . 16572 1 1240 . 1 1 112 112 VAL N N 15 122.642 0.5 . 1 . . . . 112 VAL N . 16572 1 1241 . 1 1 113 113 ALA H H 1 7.793 0.05 . 1 . . . . 113 ALA H . 16572 1 1242 . 1 1 113 113 ALA HA H 1 4.770 0.05 . 1 . . . . 113 ALA HA . 16572 1 1243 . 1 1 113 113 ALA HB1 H 1 1.573 0.05 . 1 . . . . 113 ALA HB . 16572 1 1244 . 1 1 113 113 ALA HB2 H 1 1.573 0.05 . 1 . . . . 113 ALA HB . 16572 1 1245 . 1 1 113 113 ALA HB3 H 1 1.573 0.05 . 1 . . . . 113 ALA HB . 16572 1 1246 . 1 1 113 113 ALA CA C 13 52.449 0.5 . 1 . . . . 113 ALA CA . 16572 1 1247 . 1 1 113 113 ALA CB C 13 22.4 0.5 . 1 . . . . 113 ALA CB . 16572 1 1248 . 1 1 113 113 ALA N N 15 121.070 0.5 . 1 . . . . 113 ALA N . 16572 1 1249 . 1 1 114 114 GLN H H 1 8.45 0.05 . 1 . . . . 114 GLN H . 16572 1 1250 . 1 1 114 114 GLN HA H 1 5.404 0.05 . 1 . . . . 114 GLN HA . 16572 1 1251 . 1 1 114 114 GLN HB2 H 1 2.050 0.05 . 2 . . . . 114 GLN HB2 . 16572 1 1252 . 1 1 114 114 GLN HB3 H 1 2.120 0.05 . 2 . . . . 114 GLN HB3 . 16572 1 1253 . 1 1 114 114 GLN HE21 H 1 6.739 0.05 . 2 . . . . 114 GLN HE21 . 16572 1 1254 . 1 1 114 114 GLN HE22 H 1 7.806 0.05 . 2 . . . . 114 GLN HE22 . 16572 1 1255 . 1 1 114 114 GLN HG2 H 1 2.299 0.05 . 2 . . . . 114 GLN HG2 . 16572 1 1256 . 1 1 114 114 GLN HG3 H 1 2.215 0.05 . 2 . . . . 114 GLN HG3 . 16572 1 1257 . 1 1 114 114 GLN CA C 13 54.83 0.5 . 1 . . . . 114 GLN CA . 16572 1 1258 . 1 1 114 114 GLN CB C 13 32.307 0.5 . 1 . . . . 114 GLN CB . 16572 1 1259 . 1 1 114 114 GLN CG C 13 32.54 0.5 . 1 . . . . 114 GLN CG . 16572 1 1260 . 1 1 114 114 GLN N N 15 115.851 0.5 . 1 . . . . 114 GLN N . 16572 1 1261 . 1 1 114 114 GLN NE2 N 15 112.00 0.5 . 1 . . . . 114 GLN NE2 . 16572 1 1262 . 1 1 115 115 ARG H H 1 8.989 0.05 . 1 . . . . 115 ARG H . 16572 1 1263 . 1 1 115 115 ARG HA H 1 4.555 0.05 . 1 . . . . 115 ARG HA . 16572 1 1264 . 1 1 115 115 ARG HB2 H 1 1.467 0.05 . 2 . . . . 115 ARG HB2 . 16572 1 1265 . 1 1 115 115 ARG HB3 H 1 2.007 0.05 . 2 . . . . 115 ARG HB3 . 16572 1 1266 . 1 1 115 115 ARG HD2 H 1 2.986 0.05 . 2 . . . . 115 ARG HD2 . 16572 1 1267 . 1 1 115 115 ARG HD3 H 1 3.219 0.05 . 2 . . . . 115 ARG HD3 . 16572 1 1268 . 1 1 115 115 ARG HG2 H 1 1.847 0.05 . 2 . . . . 115 ARG HG2 . 16572 1 1269 . 1 1 115 115 ARG HG3 H 1 1.610 0.05 . 2 . . . . 115 ARG HG3 . 16572 1 1270 . 1 1 115 115 ARG CA C 13 56.35 0.5 . 1 . . . . 115 ARG CA . 16572 1 1271 . 1 1 115 115 ARG CB C 13 33.73 0.5 . 1 . . . . 115 ARG CB . 16572 1 1272 . 1 1 115 115 ARG CD C 13 43.170 0.5 . 1 . . . . 115 ARG CD . 16572 1 1273 . 1 1 115 115 ARG CG C 13 28.167 0.5 . 1 . . . . 115 ARG CG . 16572 1 1274 . 1 1 115 115 ARG N N 15 122.920 0.5 . 1 . . . . 115 ARG N . 16572 1 1275 . 1 1 116 116 SER H H 1 8.511 0.05 . 1 . . . . 116 SER H . 16572 1 1276 . 1 1 116 116 SER HA H 1 5.756 0.05 . 1 . . . . 116 SER HA . 16572 1 1277 . 1 1 116 116 SER HB2 H 1 3.838 0.05 . 2 . . . . 116 SER HB2 . 16572 1 1278 . 1 1 116 116 SER HB3 H 1 3.888 0.05 . 2 . . . . 116 SER HB3 . 16572 1 1279 . 1 1 116 116 SER CA C 13 56.4 0.5 . 1 . . . . 116 SER CA . 16572 1 1280 . 1 1 116 116 SER CB C 13 65.77 0.5 . 1 . . . . 116 SER CB . 16572 1 1281 . 1 1 116 116 SER N N 15 119.807 0.5 . 1 . . . . 116 SER N . 16572 1 1282 . 1 1 117 117 THR H H 1 8.801 0.05 . 1 . . . . 117 THR H . 16572 1 1283 . 1 1 117 117 THR HA H 1 4.378 0.05 . 1 . . . . 117 THR HA . 16572 1 1284 . 1 1 117 117 THR HB H 1 4.23 0.05 . 1 . . . . 117 THR HB . 16572 1 1285 . 1 1 117 117 THR HG21 H 1 1.242 0.05 . 1 . . . . 117 THR HG2 . 16572 1 1286 . 1 1 117 117 THR HG22 H 1 1.242 0.05 . 1 . . . . 117 THR HG2 . 16572 1 1287 . 1 1 117 117 THR HG23 H 1 1.242 0.05 . 1 . . . . 117 THR HG2 . 16572 1 1288 . 1 1 117 117 THR CA C 13 62.16 0.5 . 1 . . . . 117 THR CA . 16572 1 1289 . 1 1 117 117 THR CB C 13 70.01 0.5 . 1 . . . . 117 THR CB . 16572 1 1290 . 1 1 117 117 THR CG2 C 13 22.753 0.5 . 1 . . . . 117 THR CG2 . 16572 1 1291 . 1 1 117 117 THR N N 15 116.435 0.5 . 1 . . . . 117 THR N . 16572 1 1292 . 1 1 118 118 VAL H H 1 8.165 0.05 . 1 . . . . 118 VAL H . 16572 1 1293 . 1 1 118 118 VAL HA H 1 4.227 0.05 . 1 . . . . 118 VAL HA . 16572 1 1294 . 1 1 118 118 VAL HB H 1 1.959 0.05 . 1 . . . . 118 VAL HB . 16572 1 1295 . 1 1 118 118 VAL HG11 H 1 0.876 0.05 . 2 . . . . 118 VAL HG1 . 16572 1 1296 . 1 1 118 118 VAL HG12 H 1 0.876 0.05 . 2 . . . . 118 VAL HG1 . 16572 1 1297 . 1 1 118 118 VAL HG13 H 1 0.876 0.05 . 2 . . . . 118 VAL HG1 . 16572 1 1298 . 1 1 118 118 VAL HG21 H 1 0.876 0.05 . 2 . . . . 118 VAL HG2 . 16572 1 1299 . 1 1 118 118 VAL HG22 H 1 0.876 0.05 . 2 . . . . 118 VAL HG2 . 16572 1 1300 . 1 1 118 118 VAL HG23 H 1 0.876 0.05 . 2 . . . . 118 VAL HG2 . 16572 1 1301 . 1 1 118 118 VAL CA C 13 61.32 0.5 . 1 . . . . 118 VAL CA . 16572 1 1302 . 1 1 118 118 VAL CB C 13 32.931 0.5 . 1 . . . . 118 VAL CB . 16572 1 1303 . 1 1 118 118 VAL CG1 C 13 20.585 0.5 . 2 . . . . 118 VAL CG1 . 16572 1 1304 . 1 1 118 118 VAL CG2 C 13 20.585 0.5 . 2 . . . . 118 VAL CG2 . 16572 1 1305 . 1 1 118 118 VAL N N 15 122.111 0.5 . 1 . . . . 118 VAL N . 16572 1 1306 . 1 1 119 119 PHE H H 1 8.58 0.05 . 1 . . . . 119 PHE H . 16572 1 1307 . 1 1 119 119 PHE HA H 1 4.655 0.05 . 1 . . . . 119 PHE HA . 16572 1 1308 . 1 1 119 119 PHE HB2 H 1 3.08 0.05 . 2 . . . . 119 PHE HB2 . 16572 1 1309 . 1 1 119 119 PHE HB3 H 1 2.97 0.05 . 2 . . . . 119 PHE HB3 . 16572 1 1310 . 1 1 119 119 PHE HD1 H 1 7.268 0.05 . 3 . . . . 119 PHE HD1 . 16572 1 1311 . 1 1 119 119 PHE HD2 H 1 7.268 0.05 . 3 . . . . 119 PHE HD2 . 16572 1 1312 . 1 1 119 119 PHE HE1 H 1 7.36 0.05 . 3 . . . . 119 PHE HE1 . 16572 1 1313 . 1 1 119 119 PHE HE2 H 1 7.36 0.05 . 3 . . . . 119 PHE HE2 . 16572 1 1314 . 1 1 119 119 PHE CA C 13 57.52 0.5 . 1 . . . . 119 PHE CA . 16572 1 1315 . 1 1 119 119 PHE CB C 13 39.55 0.5 . 1 . . . . 119 PHE CB . 16572 1 1316 . 1 1 119 119 PHE CD1 C 13 131.8 0.5 . 3 . . . . 119 PHE CD1 . 16572 1 1317 . 1 1 119 119 PHE CD2 C 13 131.8 0.5 . 3 . . . . 119 PHE CD2 . 16572 1 1318 . 1 1 119 119 PHE CE1 C 13 131.8 0.5 . 3 . . . . 119 PHE CE1 . 16572 1 1319 . 1 1 119 119 PHE CE2 C 13 131.8 0.5 . 3 . . . . 119 PHE CE2 . 16572 1 1320 . 1 1 119 119 PHE N N 15 126.006 0.5 . 1 . . . . 119 PHE N . 16572 1 1321 . 1 1 120 120 LYS H H 1 8.346 0.05 . 1 . . . . 120 LYS H . 16572 1 1322 . 1 1 120 120 LYS HA H 1 4.432 0.05 . 1 . . . . 120 LYS HA . 16572 1 1323 . 1 1 120 120 LYS HB2 H 1 1.748 0.05 . 2 . . . . 120 LYS HB2 . 16572 1 1324 . 1 1 120 120 LYS HB3 H 1 1.834 0.05 . 2 . . . . 120 LYS HB3 . 16572 1 1325 . 1 1 120 120 LYS HD2 H 1 1.664 0.05 . 2 . . . . 120 LYS HD2 . 16572 1 1326 . 1 1 120 120 LYS HD3 H 1 1.664 0.05 . 2 . . . . 120 LYS HD3 . 16572 1 1327 . 1 1 120 120 LYS HE2 H 1 2.973 0.05 . 2 . . . . 120 LYS HE2 . 16572 1 1328 . 1 1 120 120 LYS HE3 H 1 2.976 0.05 . 2 . . . . 120 LYS HE3 . 16572 1 1329 . 1 1 120 120 LYS HG2 H 1 1.398 0.05 . 2 . . . . 120 LYS HG2 . 16572 1 1330 . 1 1 120 120 LYS HG3 H 1 1.434 0.05 . 2 . . . . 120 LYS HG3 . 16572 1 1331 . 1 1 120 120 LYS CA C 13 55.74 0.5 . 1 . . . . 120 LYS CA . 16572 1 1332 . 1 1 120 120 LYS CB C 13 33.29 0.5 . 1 . . . . 120 LYS CB . 16572 1 1333 . 1 1 120 120 LYS CD C 13 29.190 0.5 . 1 . . . . 120 LYS CD . 16572 1 1334 . 1 1 120 120 LYS CE C 13 42.102 0.5 . 1 . . . . 120 LYS CE . 16572 1 1335 . 1 1 120 120 LYS CG C 13 24.83 0.5 . 1 . . . . 120 LYS CG . 16572 1 1336 . 1 1 120 120 LYS N N 15 124.095 0.5 . 1 . . . . 120 LYS N . 16572 1 1337 . 1 1 121 121 THR H H 1 8.294 0.05 . 1 . . . . 121 THR H . 16572 1 1338 . 1 1 121 121 THR HA H 1 4.394 0.05 . 1 . . . . 121 THR HA . 16572 1 1339 . 1 1 121 121 THR HB H 1 4.293 0.05 . 1 . . . . 121 THR HB . 16572 1 1340 . 1 1 121 121 THR HG21 H 1 1.223 0.05 . 1 . . . . 121 THR HG2 . 16572 1 1341 . 1 1 121 121 THR HG22 H 1 1.223 0.05 . 1 . . . . 121 THR HG2 . 16572 1 1342 . 1 1 121 121 THR HG23 H 1 1.223 0.05 . 1 . . . . 121 THR HG2 . 16572 1 1343 . 1 1 121 121 THR CA C 13 61.61 0.5 . 1 . . . . 121 THR CA . 16572 1 1344 . 1 1 121 121 THR CB C 13 69.64 0.5 . 1 . . . . 121 THR CB . 16572 1 1345 . 1 1 121 121 THR CG2 C 13 21.593 0.5 . 1 . . . . 121 THR CG2 . 16572 1 1346 . 1 1 121 121 THR N N 15 116.359 0.5 . 1 . . . . 121 THR N . 16572 1 1347 . 1 1 122 122 THR H H 1 7.809 0.05 . 1 . . . . 122 THR H . 16572 1 1348 . 1 1 122 122 THR HA H 1 4.17 0.05 . 1 . . . . 122 THR HA . 16572 1 1349 . 1 1 122 122 THR HB H 1 4.27 0.05 . 1 . . . . 122 THR HB . 16572 1 1350 . 1 1 122 122 THR HG21 H 1 1.193 0.05 . 1 . . . . 122 THR HG2 . 16572 1 1351 . 1 1 122 122 THR HG22 H 1 1.193 0.05 . 1 . . . . 122 THR HG2 . 16572 1 1352 . 1 1 122 122 THR HG23 H 1 1.193 0.05 . 1 . . . . 122 THR HG2 . 16572 1 1353 . 1 1 122 122 THR CA C 13 62.83 0.5 . 1 . . . . 122 THR CA . 16572 1 1354 . 1 1 122 122 THR CB C 13 70.30 0.5 . 1 . . . . 122 THR CB . 16572 1 1355 . 1 1 122 122 THR CG2 C 13 21.764 0.5 . 1 . . . . 122 THR CG2 . 16572 1 1356 . 1 1 122 122 THR N N 15 121.0 0.5 . 1 . . . . 122 THR N . 16572 1 stop_ save_