data_16186 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16186 _Entry.Title ; Solution NMR structure of PSPTO_3016 from Pseudomonas syringae. Northeast Structural Genomics Consortium target PsR293. ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2009-02-24 _Entry.Accession_date 2009-02-24 _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 Erik Feldmann . A. . 16186 2 Theresa Ramelot . A. . 16186 3 Li Zhao . . . 16186 4 Keith Hamilton . . . 16186 5 Colleen Ciccosanti . . . 16186 6 Rong Xiao . . . 16186 7 Rajesh Nair . . . 16186 8 John Everett . K. . 16186 9 G.V.T. Swapna . . . 16186 10 Thomas Acton . B. . 16186 11 Burkhard Rost . . . 16186 12 Gaetano Montelione . T. . 16186 13 Michael Kennedy . A. . 16186 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' . 16186 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID alpha . 16186 beta . 16186 double-wing . 16186 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16186 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 561 16186 '15N chemical shifts' 124 16186 '1H chemical shifts' 884 16186 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-05-27 2009-02-24 update BMRB 'edit entity/assembly name' 16186 2 . . 2009-06-01 2009-02-24 update BMRB 'added time domain data' 16186 1 . . 2009-03-05 2009-02-24 original author 'original release' 16186 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16186 _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 'Solution NMR structure of PSPTO_3016 from Pseudomonas syringae. Northeast Structural Genomics Consortium target PsR293.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Erik Feldmann . A. . 16186 1 2 Theresa Ramelot . A. . 16186 1 3 Li Zhao . . . 16186 1 4 Keith Hamilton . . . 16186 1 5 Colleen Ciccosanti . . . 16186 1 6 Rong Xiao . . . 16186 1 7 Rajesh Nair . . . 16186 1 8 John Everett . K. . 16186 1 9 G.V.T. Swapna . . . 16186 1 10 Thomas Acton . B. . 16186 1 11 Burkhard Rost . . . 16186 1 12 Gaetano Montelione . T. . 16186 1 13 Michael Kennedy . A. . 16186 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16186 _Assembly.ID 1 _Assembly.Name PSPTO_3016 _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 PSPTO_3016 1 $entity A . yes native no no . . . 16186 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16186 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PSPTO_3016 _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 ; MNRQQFIDYAQKKYDTKPDH PWEKFPDYAVFRHSDNDKWY ALLMDIPAEKIGINGDKRVD VIDLKVQPELVGSLRKKPGI YPAYHMNKEHWITVLLNGPL GAKEIHSLIEDSFQLTRLEH HHHHH ; _Entity.Polymer_seq_one_letter_code ; MNRQQFIDYAQKKYDTKPDH PWEKFPDYAVFRHSDNDKWY ALLMDIPAEKIGINGDKRVD VIDLKVQPELVGSLRKKPGI YPAYHMNKEHWITVLLNGPL GAKEIHSLIEDSFQLTRLEH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'full length followed by 8 non-native C-terminal residues (LEHHHHHH)' _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 125 _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 14802 _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 2KFP . "Solution Nmr Structure Of Pspto_3016 From Pseudomonas Syringae. Northeast Structural Genomics Consortium Target Psr293" . . . . . 100.00 125 100.00 100.00 4.50e-86 . . . . 16186 1 2 no PDB 3H9X . "Crystal Structure Of The Pspto_3016 Protein From Pseudomonas Syringae, Northeast Structural Genomics Consortium Target Psr293" . . . . . 99.20 125 98.39 98.39 5.38e-83 . . . . 16186 1 3 no GB AAO56506 . "conserved hypothetical protein [Pseudomonas syringae pv. tomato str. DC3000]" . . . . . 93.60 117 100.00 100.00 8.21e-80 . . . . 16186 1 4 no GB EEB58193 . "conserved hypothetical protein [Pseudomonas syringae pv. tomato T1]" . . . . . 93.60 117 99.15 99.15 3.39e-79 . . . . 16186 1 5 no GB EGH95472 . "hypothetical protein PLA106_05602 [Pseudomonas amygdali pv. lachrymans str. M302278]" . . . . . 59.20 74 100.00 100.00 1.34e-44 . . . . 16186 1 6 no GB KGK93803 . "hypothetical protein NB04_19785 [Pseudomonas syringae pv. tomato]" . . . . . 93.60 117 99.15 99.15 3.39e-79 . . . . 16186 1 7 no GB KKI26969 . "hypothetical protein WX98_06435 [Pseudomonas syringae pv. persicae]" . . . . . 93.60 117 100.00 100.00 8.21e-80 . . . . 16186 1 8 no REF NP_792811 . "hypothetical protein PSPTO_3016 [Pseudomonas syringae pv. tomato str. DC3000]" . . . . . 93.60 117 100.00 100.00 8.21e-80 . . . . 16186 1 9 no REF WP_007246459 . "MULTISPECIES: hypothetical protein [Pseudomonas syringae group]" . . . . . 93.60 117 99.15 99.15 3.39e-79 . . . . 16186 1 10 no REF WP_011104332 . "hypothetical protein [Pseudomonas syringae group genomosp. 3]" . . . . . 93.60 117 100.00 100.00 8.21e-80 . . . . 16186 1 11 no REF WP_044389995 . "hypothetical protein [Pseudomonas syringae group genomosp. 3]" . . . . . 93.60 117 98.29 99.15 7.69e-79 . . . . 16186 1 12 no REF WP_057415793 . "hypothetical protein [Pseudomonas syringae group genomosp. 3]" . . . . . 93.60 117 98.29 98.29 2.15e-78 . . . . 16186 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 . 16186 1 2 . ASN . 16186 1 3 . ARG . 16186 1 4 . GLN . 16186 1 5 . GLN . 16186 1 6 . PHE . 16186 1 7 . ILE . 16186 1 8 . ASP . 16186 1 9 . TYR . 16186 1 10 . ALA . 16186 1 11 . GLN . 16186 1 12 . LYS . 16186 1 13 . LYS . 16186 1 14 . TYR . 16186 1 15 . ASP . 16186 1 16 . THR . 16186 1 17 . LYS . 16186 1 18 . PRO . 16186 1 19 . ASP . 16186 1 20 . HIS . 16186 1 21 . PRO . 16186 1 22 . TRP . 16186 1 23 . GLU . 16186 1 24 . LYS . 16186 1 25 . PHE . 16186 1 26 . PRO . 16186 1 27 . ASP . 16186 1 28 . TYR . 16186 1 29 . ALA . 16186 1 30 . VAL . 16186 1 31 . PHE . 16186 1 32 . ARG . 16186 1 33 . HIS . 16186 1 34 . SER . 16186 1 35 . ASP . 16186 1 36 . ASN . 16186 1 37 . ASP . 16186 1 38 . LYS . 16186 1 39 . TRP . 16186 1 40 . TYR . 16186 1 41 . ALA . 16186 1 42 . LEU . 16186 1 43 . LEU . 16186 1 44 . MET . 16186 1 45 . ASP . 16186 1 46 . ILE . 16186 1 47 . PRO . 16186 1 48 . ALA . 16186 1 49 . GLU . 16186 1 50 . LYS . 16186 1 51 . ILE . 16186 1 52 . GLY . 16186 1 53 . ILE . 16186 1 54 . ASN . 16186 1 55 . GLY . 16186 1 56 . ASP . 16186 1 57 . LYS . 16186 1 58 . ARG . 16186 1 59 . VAL . 16186 1 60 . ASP . 16186 1 61 . VAL . 16186 1 62 . ILE . 16186 1 63 . ASP . 16186 1 64 . LEU . 16186 1 65 . LYS . 16186 1 66 . VAL . 16186 1 67 . GLN . 16186 1 68 . PRO . 16186 1 69 . GLU . 16186 1 70 . LEU . 16186 1 71 . VAL . 16186 1 72 . GLY . 16186 1 73 . SER . 16186 1 74 . LEU . 16186 1 75 . ARG . 16186 1 76 . LYS . 16186 1 77 . LYS . 16186 1 78 . PRO . 16186 1 79 . GLY . 16186 1 80 . ILE . 16186 1 81 . TYR . 16186 1 82 . PRO . 16186 1 83 . ALA . 16186 1 84 . TYR . 16186 1 85 . HIS . 16186 1 86 . MET . 16186 1 87 . ASN . 16186 1 88 . LYS . 16186 1 89 . GLU . 16186 1 90 . HIS . 16186 1 91 . TRP . 16186 1 92 . ILE . 16186 1 93 . THR . 16186 1 94 . VAL . 16186 1 95 . LEU . 16186 1 96 . LEU . 16186 1 97 . ASN . 16186 1 98 . GLY . 16186 1 99 . PRO . 16186 1 100 . LEU . 16186 1 101 . GLY . 16186 1 102 . ALA . 16186 1 103 . LYS . 16186 1 104 . GLU . 16186 1 105 . ILE . 16186 1 106 . HIS . 16186 1 107 . SER . 16186 1 108 . LEU . 16186 1 109 . ILE . 16186 1 110 . GLU . 16186 1 111 . ASP . 16186 1 112 . SER . 16186 1 113 . PHE . 16186 1 114 . GLN . 16186 1 115 . LEU . 16186 1 116 . THR . 16186 1 117 . ARG . 16186 1 118 . LEU . 16186 1 119 . GLU . 16186 1 120 . HIS . 16186 1 121 . HIS . 16186 1 122 . HIS . 16186 1 123 . HIS . 16186 1 124 . HIS . 16186 1 125 . HIS . 16186 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 16186 1 . ASN 2 2 16186 1 . ARG 3 3 16186 1 . GLN 4 4 16186 1 . GLN 5 5 16186 1 . PHE 6 6 16186 1 . ILE 7 7 16186 1 . ASP 8 8 16186 1 . TYR 9 9 16186 1 . ALA 10 10 16186 1 . GLN 11 11 16186 1 . LYS 12 12 16186 1 . LYS 13 13 16186 1 . TYR 14 14 16186 1 . ASP 15 15 16186 1 . THR 16 16 16186 1 . LYS 17 17 16186 1 . PRO 18 18 16186 1 . ASP 19 19 16186 1 . HIS 20 20 16186 1 . PRO 21 21 16186 1 . TRP 22 22 16186 1 . GLU 23 23 16186 1 . LYS 24 24 16186 1 . PHE 25 25 16186 1 . PRO 26 26 16186 1 . ASP 27 27 16186 1 . TYR 28 28 16186 1 . ALA 29 29 16186 1 . VAL 30 30 16186 1 . PHE 31 31 16186 1 . ARG 32 32 16186 1 . HIS 33 33 16186 1 . SER 34 34 16186 1 . ASP 35 35 16186 1 . ASN 36 36 16186 1 . ASP 37 37 16186 1 . LYS 38 38 16186 1 . TRP 39 39 16186 1 . TYR 40 40 16186 1 . ALA 41 41 16186 1 . LEU 42 42 16186 1 . LEU 43 43 16186 1 . MET 44 44 16186 1 . ASP 45 45 16186 1 . ILE 46 46 16186 1 . PRO 47 47 16186 1 . ALA 48 48 16186 1 . GLU 49 49 16186 1 . LYS 50 50 16186 1 . ILE 51 51 16186 1 . GLY 52 52 16186 1 . ILE 53 53 16186 1 . ASN 54 54 16186 1 . GLY 55 55 16186 1 . ASP 56 56 16186 1 . LYS 57 57 16186 1 . ARG 58 58 16186 1 . VAL 59 59 16186 1 . ASP 60 60 16186 1 . VAL 61 61 16186 1 . ILE 62 62 16186 1 . ASP 63 63 16186 1 . LEU 64 64 16186 1 . LYS 65 65 16186 1 . VAL 66 66 16186 1 . GLN 67 67 16186 1 . PRO 68 68 16186 1 . GLU 69 69 16186 1 . LEU 70 70 16186 1 . VAL 71 71 16186 1 . GLY 72 72 16186 1 . SER 73 73 16186 1 . LEU 74 74 16186 1 . ARG 75 75 16186 1 . LYS 76 76 16186 1 . LYS 77 77 16186 1 . PRO 78 78 16186 1 . GLY 79 79 16186 1 . ILE 80 80 16186 1 . TYR 81 81 16186 1 . PRO 82 82 16186 1 . ALA 83 83 16186 1 . TYR 84 84 16186 1 . HIS 85 85 16186 1 . MET 86 86 16186 1 . ASN 87 87 16186 1 . LYS 88 88 16186 1 . GLU 89 89 16186 1 . HIS 90 90 16186 1 . TRP 91 91 16186 1 . ILE 92 92 16186 1 . THR 93 93 16186 1 . VAL 94 94 16186 1 . LEU 95 95 16186 1 . LEU 96 96 16186 1 . ASN 97 97 16186 1 . GLY 98 98 16186 1 . PRO 99 99 16186 1 . LEU 100 100 16186 1 . GLY 101 101 16186 1 . ALA 102 102 16186 1 . LYS 103 103 16186 1 . GLU 104 104 16186 1 . ILE 105 105 16186 1 . HIS 106 106 16186 1 . SER 107 107 16186 1 . LEU 108 108 16186 1 . ILE 109 109 16186 1 . GLU 110 110 16186 1 . ASP 111 111 16186 1 . SER 112 112 16186 1 . PHE 113 113 16186 1 . GLN 114 114 16186 1 . LEU 115 115 16186 1 . THR 116 116 16186 1 . ARG 117 117 16186 1 . LEU 118 118 16186 1 . GLU 119 119 16186 1 . HIS 120 120 16186 1 . HIS 121 121 16186 1 . HIS 122 122 16186 1 . HIS 123 123 16186 1 . HIS 124 124 16186 1 . HIS 125 125 16186 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 16186 _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 $entity . 317 organism . 'Pseudomonas syringae' 'Pseudomonas syringae' . . Bacteria . Pseudomonas syringae . . . . . . . . . . . . . . . . PSPTO_3016 . . . . 16186 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 16186 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMGK . . . . . . . . . . . . . . . pET21-23C . . . . . . 16186 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 16186 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.1 . . mM 0.1 . . . 16186 1 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 16186 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 16186 1 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16186 1 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16186 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16186 1 7 DSS 'natural abundance' . . . . . . 50 . . uM 2.5 . . . 16186 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16186 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16186 1 stop_ save_ save_NC5_sample _Sample.Sf_category sample _Sample.Sf_framecode NC5_sample _Sample.Entry_ID 16186 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-5% 13C; U-100% 15N]' . . 1 $entity . . 1.1 . . mM 0.1 . . . 16186 2 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 16186 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 16186 2 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16186 2 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16186 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16186 2 7 DSS 'natural abundance' . . . . . . 50 . . uM 2.5 . . . 16186 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16186 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16186 2 stop_ save_ save_NC_sample_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode NC_sample_in_D2O _Sample.Entry_ID 16186 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.0 . . mM 0.1 . . . 16186 3 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 16186 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 16186 3 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16186 3 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16186 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16186 3 7 DSS 'natural abundance' . . . . . . 50 . . uM 2.5 . . . 16186 3 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16186 3 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 16186 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.01 M 16186 1 pH 4.5 0.1 pH 16186 1 pressure 1 . atm 16186 1 temperature 293 1 K 16186 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16186 _Software.ID 1 _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' . . 16186 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16186 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16186 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16186 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16186 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16186 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16186 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16186 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16186 _Software.ID 4 _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' . . 16186 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16186 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16186 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.20 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16186 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16186 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16186 _Software.ID 6 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16186 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16186 6 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16186 _Software.ID 7 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16186 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16186 7 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16186 _Software.ID 8 _Software.Name AutoAssign _Software.Version 2.3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16186 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16186 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_600 _NMR_spectrometer.Entry_ID 16186 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_850 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_850 _NMR_spectrometer.Entry_ID 16186 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 16186 _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_600 Varian INOVA . 600 'cold probe' . . 16186 1 2 spectrometer_850 Bruker AvanceIII . 850 . . . 16186 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 16186 _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' yes 1 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1 2 '2D 1H-13C HSQC' yes 2 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1 3 '2D 1H-13C HSQC' yes 3 . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1 4 '2D 1H-15N HSQC (swN)' yes 4 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1 5 '3D 1H-15N NOESY' yes 5 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1 6 '3D 1H-13C NOESY (aliph)' yes 6 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1 7 '2D 1H-13C HSQC' yes 7 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1 8 '4D CC NOESY' yes 8 . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1 9 '3D HNCO' yes 9 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1 10 '3D HNCA' yes 10 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1 11 '3D HNCACB' yes 11 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1 12 '3D CBCA(CO)NH' yes 12 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1 13 '3D HBHA(CO)NH' yes 13 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1 14 '3D H(C)CH-TOCSY' yes 14 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1 15 '3D (H)CCH-TOCSY' yes 15 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1 16 '3D CBCA(CO)NH' yes 16 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1 17 '3D H(CCO)NH' yes 17 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1 18 '3D HN(CO)CA' yes 18 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1 19 '3D C(CO)NH' yes 19 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1 20 '3D H(C)CH COSY' yes 20 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1 21 '2D 1H-15N HSQC (NH2 only)' yes 21 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1 22 '3D 1H-13C NOESY (arom)' yes 22 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 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 16186 _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_850 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/2_Nhsqc_6_18_08.bruker/' . . . . . . . 16186 1 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/2_Nhsqc_6_18_08.bruker/' . . . . . . . 16186 1 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/2_Nhsqc_6_18_08.bruker/' . . . . . . . 16186 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/2_Nhsqc_6_18_08.bruker/' . . . . . . . 16186 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 16186 _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_850 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/3_Chsqc_6_18_08.bruker/' . . . . . . . 16186 2 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/3_Chsqc_6_18_08.bruker/' . . . . . . . 16186 2 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/3_Chsqc_6_18_08.bruker/' . . . . . . . 16186 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/3_Chsqc_6_18_08.bruker/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 3 _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_850 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/6_nc5_Chsqc_ct_8_13_08.850mhz/' . . . . . . . 16186 3 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/6_nc5_Chsqc_ct_8_13_08.850mhz/' . . . . . . . 16186 3 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/6_nc5_Chsqc_ct_8_13_08.850mhz/' . . . . . . . 16186 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/6_nc5_Chsqc_ct_8_13_08.850mhz/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-15N HSQC (swN)' _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_600 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Nhsqc_swN150p_7_25_08.fid/' . . . . . . . 16186 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Nhsqc_swN150p_7_25_08.fid/' . . . . . . . 16186 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Nhsqc_swN150p_7_25_08.fid/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 5 _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_850 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/21_Nnoesy_6_21_08.bruker/' . . . . . . . 16186 5 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/21_Nnoesy_6_21_08.bruker/' . . . . . . . 16186 5 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/21_Nnoesy_6_21_08.bruker/' . . . . . . . 16186 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/21_Nnoesy_6_21_08.bruker/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-13C NOESY (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_850 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/22_Cnoesy_aliph_7_2_08.bruker/' . . . . . . . 16186 6 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/22_Cnoesy_aliph_7_2_08.bruker/' . . . . . . . 16186 6 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/22_Cnoesy_aliph_7_2_08.bruker/' . . . . . . . 16186 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/22_Cnoesy_aliph_7_2_08.bruker/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 7 _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_600 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Chsqc_arom_ct_8_8_08.fid/' . . . . . . . 16186 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Chsqc_arom_ct_8_8_08.fid/' . . . . . . . 16186 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Chsqc_arom_ct_8_8_08.fid/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '4D CC 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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_600 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_d2o_4d_cc_noesy_8_29_08.fid/' . . . . . . . 16186 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_d2o_4d_cc_noesy_8_29_08.fid/' . . . . . . . 16186 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_d2o_4d_cc_noesy_8_29_08.fid/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 9 _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_600 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_hnco_06_18_08.fid/' . . . . . . . 16186 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_hnco_06_18_08.fid/' . . . . . . . 16186 9 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_hnco_06_18_08.fid/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_600 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_hnca_06_18_08.fid/' . . . . . . . 16186 10 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_hnca_06_18_08.fid/' . . . . . . . 16186 10 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_hnca_06_18_08.fid/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 11 _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_850 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/39_hncacb_7_13_08.bruker/' . . . . . . . 16186 11 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/39_hncacb_7_13_08.bruker/' . . . . . . . 16186 11 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/39_hncacb_7_13_08.bruker/' . . . . . . . 16186 11 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/39_hncacb_7_13_08.bruker/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 12 _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_850 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/38_cbcaconh_7_17_08.bruker/' . . . . . . . 16186 12 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/38_cbcaconh_7_17_08.bruker/' . . . . . . . 16186 12 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/38_cbcaconh_7_17_08.bruker/' . . . . . . . 16186 12 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/38_cbcaconh_7_17_08.bruker/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 13 _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_850 _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 acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/33_hbhaconh_7_5_08.bruker/' . . . . . . . 16186 13 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/33_hbhaconh_7_5_08.bruker/' . . . . . . . 16186 13 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/33_hbhaconh_7_5_08.bruker/' . . . . . . . 16186 13 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/33_hbhaconh_7_5_08.bruker/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D H(C)CH-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_600 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcch_tocsy_7_31_08.fid/' . . . . . . . 16186 14 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcch_tocsy_7_31_08.fid/' . . . . . . . 16186 14 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcch_tocsy_7_31_08.fid/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 15 _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_600 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_cch_tocsy_8_25_08.fid/' . . . . . . . 16186 15 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_cch_tocsy_8_25_08.fid/' . . . . . . . 16186 15 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_cch_tocsy_8_25_08.fid/' . . . . . . . 16186 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 16186 _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_600 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_cbcaconh_8_6_08.fid/' . . . . . . . 16186 16 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_cbcaconh_8_6_08.fid/' . . . . . . . 16186 16 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_cbcaconh_8_6_08.fid/' . . . . . . . 16186 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 16186 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '3D H(CCO)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_600 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcconh_tocsy_7_27_08.fid/' . . . . . . . 16186 17 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcconh_tocsy_7_27_08.fid/' . . . . . . . 16186 17 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcconh_tocsy_7_27_08.fid/' . . . . . . . 16186 17 stop_ save_ save_NMR_spectrometer_expt_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_18 _NMR_spec_expt.Entry_ID 16186 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_600 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hncoca_7_25_08.fid/' . . . . . . . 16186 18 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hncoca_7_25_08.fid/' . . . . . . . 16186 18 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hncoca_7_25_08.fid/' . . . . . . . 16186 18 stop_ save_ save_NMR_spectrometer_expt_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_19 _NMR_spec_expt.Entry_ID 16186 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '3D C(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_600 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_ccconh_tocsy_7_29_08.fid/' . . . . . . . 16186 19 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_ccconh_tocsy_7_29_08.fid/' . . . . . . . 16186 19 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_ccconh_tocsy_7_29_08.fid/' . . . . . . . 16186 19 stop_ save_ save_NMR_spectrometer_expt_20 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_20 _NMR_spec_expt.Entry_ID 16186 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name '3D H(C)CH COSY' _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_600 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcch_cosy_8_8_08.fid/' . . . . . . . 16186 20 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcch_cosy_8_8_08.fid/' . . . . . . . 16186 20 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcch_cosy_8_8_08.fid/' . . . . . . . 16186 20 stop_ save_ save_NMR_spectrometer_expt_21 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_21 _NMR_spec_expt.Entry_ID 16186 _NMR_spec_expt.ID 21 _NMR_spec_expt.Name '2D 1H-15N HSQC (NH2 only)' _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_600 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_Nhsqc_nh2only_7_29_08.fid/' . . . . . . . 16186 21 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_Nhsqc_nh2only_7_29_08.fid/' . . . . . . . 16186 21 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_Nhsqc_nh2only_7_29_08.fid/' . . . . . . . 16186 21 stop_ save_ save_NMR_spectrometer_expt_22 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_22 _NMR_spec_expt.Entry_ID 16186 _NMR_spec_expt.ID 22 _NMR_spec_expt.Name '3D 1H-13C NOESY (arom)' _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_850 _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/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Chsqc_arom_ct_8_8_08.fid/' . . . . . . . 16186 22 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Chsqc_arom_ct_8_8_08.fid/' . . . . . . . 16186 22 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Chsqc_arom_ct_8_8_08.fid/' . . . . . . . 16186 22 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 16186 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16186 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16186 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16186 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16186 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16186 1 2 '2D 1H-13C HSQC' . . . 16186 1 5 '3D 1H-15N NOESY' . . . 16186 1 6 '3D 1H-13C NOESY (aliph)' . . . 16186 1 22 '3D 1H-13C NOESY (arom)' . . . 16186 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.21 0.02 . 1 . . . . 1 MET HA . 16186 1 2 . 1 1 1 1 MET HB2 H 1 2.12 0.02 . 2 . . . . 1 MET HB2 . 16186 1 3 . 1 1 1 1 MET HB3 H 1 2.00 0.02 . 2 . . . . 1 MET HB3 . 16186 1 4 . 1 1 1 1 MET HE1 H 1 1.88 0.02 . 1 . . . . 1 MET HE . 16186 1 5 . 1 1 1 1 MET HE2 H 1 1.88 0.02 . 1 . . . . 1 MET HE . 16186 1 6 . 1 1 1 1 MET HE3 H 1 1.88 0.02 . 1 . . . . 1 MET HE . 16186 1 7 . 1 1 1 1 MET HG2 H 1 2.79 0.02 . 2 . . . . 1 MET HG2 . 16186 1 8 . 1 1 1 1 MET HG3 H 1 2.54 0.02 . 2 . . . . 1 MET HG3 . 16186 1 9 . 1 1 1 1 MET C C 13 171.2 0.2 . 1 . . . . 1 MET C . 16186 1 10 . 1 1 1 1 MET CA C 13 55.0 0.2 . 1 . . . . 1 MET CA . 16186 1 11 . 1 1 1 1 MET CB C 13 34.6 0.2 . 1 . . . . 1 MET CB . 16186 1 12 . 1 1 1 1 MET CE C 13 16.8 0.2 . 1 . . . . 1 MET CE . 16186 1 13 . 1 1 1 1 MET CG C 13 31.2 0.2 . 1 . . . . 1 MET CG . 16186 1 14 . 1 1 2 2 ASN H H 1 8.50 0.02 . 1 . . . . 2 ASN H . 16186 1 15 . 1 1 2 2 ASN HA H 1 4.99 0.02 . 1 . . . . 2 ASN HA . 16186 1 16 . 1 1 2 2 ASN HB2 H 1 3.33 0.02 . 2 . . . . 2 ASN HB2 . 16186 1 17 . 1 1 2 2 ASN HB3 H 1 2.92 0.02 . 2 . . . . 2 ASN HB3 . 16186 1 18 . 1 1 2 2 ASN HD21 H 1 7.46 0.02 . 1 . . . . 2 ASN HD21 . 16186 1 19 . 1 1 2 2 ASN HD22 H 1 6.94 0.02 . 1 . . . . 2 ASN HD22 . 16186 1 20 . 1 1 2 2 ASN C C 13 175.6 0.2 . 1 . . . . 2 ASN C . 16186 1 21 . 1 1 2 2 ASN CA C 13 51.0 0.2 . 1 . . . . 2 ASN CA . 16186 1 22 . 1 1 2 2 ASN CB C 13 40.0 0.2 . 1 . . . . 2 ASN CB . 16186 1 23 . 1 1 2 2 ASN CG C 13 175.4 0.2 . 1 . . . . 2 ASN CG . 16186 1 24 . 1 1 2 2 ASN N N 15 122.0 0.2 . 1 . . . . 2 ASN N . 16186 1 25 . 1 1 2 2 ASN ND2 N 15 111.1 0.2 . 1 . . . . 2 ASN ND2 . 16186 1 26 . 1 1 3 3 ARG H H 1 8.95 0.02 . 1 . . . . 3 ARG H . 16186 1 27 . 1 1 3 3 ARG HA H 1 3.85 0.02 . 1 . . . . 3 ARG HA . 16186 1 28 . 1 1 3 3 ARG HB2 H 1 1.89 0.02 . 2 . . . . 3 ARG HB2 . 16186 1 29 . 1 1 3 3 ARG HB3 H 1 1.80 0.02 . 2 . . . . 3 ARG HB3 . 16186 1 30 . 1 1 3 3 ARG HD2 H 1 3.26 0.02 . 2 . . . . 3 ARG HD2 . 16186 1 31 . 1 1 3 3 ARG HD3 H 1 3.26 0.02 . 2 . . . . 3 ARG HD3 . 16186 1 32 . 1 1 3 3 ARG HE H 1 7.65 0.02 . 1 . . . . 3 ARG HE . 16186 1 33 . 1 1 3 3 ARG HG2 H 1 1.63 0.02 . 2 . . . . 3 ARG HG2 . 16186 1 34 . 1 1 3 3 ARG HG3 H 1 1.65 0.02 . 2 . . . . 3 ARG HG3 . 16186 1 35 . 1 1 3 3 ARG C C 13 175.6 0.2 . 1 . . . . 3 ARG C . 16186 1 36 . 1 1 3 3 ARG CA C 13 60.4 0.2 . 1 . . . . 3 ARG CA . 16186 1 37 . 1 1 3 3 ARG CB C 13 30.9 0.2 . 1 . . . . 3 ARG CB . 16186 1 38 . 1 1 3 3 ARG CD C 13 43.7 0.2 . 1 . . . . 3 ARG CD . 16186 1 39 . 1 1 3 3 ARG CG C 13 27.0 0.2 . 1 . . . . 3 ARG CG . 16186 1 40 . 1 1 3 3 ARG CZ C 13 159.8 0.2 . 1 . . . . 3 ARG CZ . 16186 1 41 . 1 1 3 3 ARG N N 15 117.6 0.2 . 1 . . . . 3 ARG N . 16186 1 42 . 1 1 3 3 ARG NE N 15 84.7 0.2 . 1 . . . . 3 ARG NE . 16186 1 43 . 1 1 4 4 GLN H H 1 8.37 0.02 . 1 . . . . 4 GLN H . 16186 1 44 . 1 1 4 4 GLN HA H 1 3.90 0.02 . 1 . . . . 4 GLN HA . 16186 1 45 . 1 1 4 4 GLN HB2 H 1 2.10 0.02 . 2 . . . . 4 GLN HB2 . 16186 1 46 . 1 1 4 4 GLN HB3 H 1 2.00 0.02 . 2 . . . . 4 GLN HB3 . 16186 1 47 . 1 1 4 4 GLN HE21 H 1 7.85 0.02 . 1 . . . . 4 GLN HE21 . 16186 1 48 . 1 1 4 4 GLN HE22 H 1 6.92 0.02 . 1 . . . . 4 GLN HE22 . 16186 1 49 . 1 1 4 4 GLN HG2 H 1 2.43 0.02 . 2 . . . . 4 GLN HG2 . 16186 1 50 . 1 1 4 4 GLN HG3 H 1 2.43 0.02 . 2 . . . . 4 GLN HG3 . 16186 1 51 . 1 1 4 4 GLN C C 13 178.3 0.2 . 1 . . . . 4 GLN C . 16186 1 52 . 1 1 4 4 GLN CA C 13 58.9 0.2 . 1 . . . . 4 GLN CA . 16186 1 53 . 1 1 4 4 GLN CB C 13 28.2 0.2 . 1 . . . . 4 GLN CB . 16186 1 54 . 1 1 4 4 GLN CD C 13 180.4 0.2 . 1 . . . . 4 GLN CD . 16186 1 55 . 1 1 4 4 GLN CG C 13 33.7 0.2 . 1 . . . . 4 GLN CG . 16186 1 56 . 1 1 4 4 GLN N N 15 120.7 0.2 . 1 . . . . 4 GLN N . 16186 1 57 . 1 1 4 4 GLN NE2 N 15 115.3 0.2 . 1 . . . . 4 GLN NE2 . 16186 1 58 . 1 1 5 5 GLN H H 1 8.67 0.02 . 1 . . . . 5 GLN H . 16186 1 59 . 1 1 5 5 GLN HA H 1 4.19 0.02 . 1 . . . . 5 GLN HA . 16186 1 60 . 1 1 5 5 GLN HB2 H 1 2.31 0.02 . 2 . . . . 5 GLN HB2 . 16186 1 61 . 1 1 5 5 GLN HB3 H 1 1.96 0.02 . 2 . . . . 5 GLN HB3 . 16186 1 62 . 1 1 5 5 GLN HE21 H 1 7.56 0.02 . 1 . . . . 5 GLN HE21 . 16186 1 63 . 1 1 5 5 GLN HE22 H 1 6.82 0.02 . 1 . . . . 5 GLN HE22 . 16186 1 64 . 1 1 5 5 GLN HG2 H 1 2.76 0.02 . 2 . . . . 5 GLN HG2 . 16186 1 65 . 1 1 5 5 GLN HG3 H 1 2.50 0.02 . 2 . . . . 5 GLN HG3 . 16186 1 66 . 1 1 5 5 GLN C C 13 180.0 0.2 . 1 . . . . 5 GLN C . 16186 1 67 . 1 1 5 5 GLN CA C 13 58.5 0.2 . 1 . . . . 5 GLN CA . 16186 1 68 . 1 1 5 5 GLN CB C 13 28.9 0.2 . 1 . . . . 5 GLN CB . 16186 1 69 . 1 1 5 5 GLN CD C 13 180.5 0.2 . 1 . . . . 5 GLN CD . 16186 1 70 . 1 1 5 5 GLN CG C 13 34.3 0.2 . 1 . . . . 5 GLN CG . 16186 1 71 . 1 1 5 5 GLN N N 15 117.7 0.2 . 1 . . . . 5 GLN N . 16186 1 72 . 1 1 5 5 GLN NE2 N 15 111.5 0.2 . 1 . . . . 5 GLN NE2 . 16186 1 73 . 1 1 6 6 PHE H H 1 8.27 0.02 . 1 . . . . 6 PHE H . 16186 1 74 . 1 1 6 6 PHE HA H 1 4.13 0.02 . 1 . . . . 6 PHE HA . 16186 1 75 . 1 1 6 6 PHE HB2 H 1 3.19 0.02 . 2 . . . . 6 PHE HB2 . 16186 1 76 . 1 1 6 6 PHE HB3 H 1 3.08 0.02 . 2 . . . . 6 PHE HB3 . 16186 1 77 . 1 1 6 6 PHE HD1 H 1 6.93 0.02 . 3 . . . . 6 PHE HD1 . 16186 1 78 . 1 1 6 6 PHE HD2 H 1 6.93 0.02 . 3 . . . . 6 PHE HD2 . 16186 1 79 . 1 1 6 6 PHE HE1 H 1 6.43 0.02 . 3 . . . . 6 PHE HE1 . 16186 1 80 . 1 1 6 6 PHE HE2 H 1 6.43 0.02 . 3 . . . . 6 PHE HE2 . 16186 1 81 . 1 1 6 6 PHE HZ H 1 6.33 0.02 . 1 . . . . 6 PHE HZ . 16186 1 82 . 1 1 6 6 PHE C C 13 175.5 0.2 . 1 . . . . 6 PHE C . 16186 1 83 . 1 1 6 6 PHE CA C 13 62.7 0.2 . 1 . . . . 6 PHE CA . 16186 1 84 . 1 1 6 6 PHE CB C 13 39.0 0.2 . 1 . . . . 6 PHE CB . 16186 1 85 . 1 1 6 6 PHE CD1 C 13 131.3 0.02 . 3 . . . . 6 PHE CD1 . 16186 1 86 . 1 1 6 6 PHE CD2 C 13 131.3 0.02 . 3 . . . . 6 PHE CD2 . 16186 1 87 . 1 1 6 6 PHE CE1 C 13 130.9 0.02 . 3 . . . . 6 PHE CE1 . 16186 1 88 . 1 1 6 6 PHE CE2 C 13 130.9 0.02 . 3 . . . . 6 PHE CE2 . 16186 1 89 . 1 1 6 6 PHE CZ C 13 127.7 0.2 . 1 . . . . 6 PHE CZ . 16186 1 90 . 1 1 6 6 PHE N N 15 121.2 0.2 . 1 . . . . 6 PHE N . 16186 1 91 . 1 1 7 7 ILE H H 1 8.39 0.02 . 1 . . . . 7 ILE H . 16186 1 92 . 1 1 7 7 ILE HA H 1 3.28 0.02 . 1 . . . . 7 ILE HA . 16186 1 93 . 1 1 7 7 ILE HB H 1 1.99 0.02 . 1 . . . . 7 ILE HB . 16186 1 94 . 1 1 7 7 ILE HD11 H 1 0.94 0.02 . 1 . . . . 7 ILE HD1 . 16186 1 95 . 1 1 7 7 ILE HD12 H 1 0.94 0.02 . 1 . . . . 7 ILE HD1 . 16186 1 96 . 1 1 7 7 ILE HD13 H 1 0.94 0.02 . 1 . . . . 7 ILE HD1 . 16186 1 97 . 1 1 7 7 ILE HG12 H 1 1.06 0.02 . 2 . . . . 7 ILE HG12 . 16186 1 98 . 1 1 7 7 ILE HG13 H 1 2.13 0.02 . 2 . . . . 7 ILE HG13 . 16186 1 99 . 1 1 7 7 ILE HG21 H 1 1.05 0.02 . 1 . . . . 7 ILE HG2 . 16186 1 100 . 1 1 7 7 ILE HG22 H 1 1.05 0.02 . 1 . . . . 7 ILE HG2 . 16186 1 101 . 1 1 7 7 ILE HG23 H 1 1.05 0.02 . 1 . . . . 7 ILE HG2 . 16186 1 102 . 1 1 7 7 ILE C C 13 178.9 0.2 . 1 . . . . 7 ILE C . 16186 1 103 . 1 1 7 7 ILE CA C 13 66.4 0.2 . 1 . . . . 7 ILE CA . 16186 1 104 . 1 1 7 7 ILE CB C 13 38.5 0.2 . 1 . . . . 7 ILE CB . 16186 1 105 . 1 1 7 7 ILE CD1 C 13 13.9 0.2 . 1 . . . . 7 ILE CD1 . 16186 1 106 . 1 1 7 7 ILE CG1 C 13 31.3 0.2 . 1 . . . . 7 ILE CG1 . 16186 1 107 . 1 1 7 7 ILE CG2 C 13 17.2 0.2 . 1 . . . . 7 ILE CG2 . 16186 1 108 . 1 1 7 7 ILE N N 15 121.0 0.2 . 1 . . . . 7 ILE N . 16186 1 109 . 1 1 8 8 ASP H H 1 8.71 0.02 . 1 . . . . 8 ASP H . 16186 1 110 . 1 1 8 8 ASP HA H 1 4.37 0.02 . 1 . . . . 8 ASP HA . 16186 1 111 . 1 1 8 8 ASP HB2 H 1 2.74 0.02 . 2 . . . . 8 ASP HB2 . 16186 1 112 . 1 1 8 8 ASP HB3 H 1 2.64 0.02 . 2 . . . . 8 ASP HB3 . 16186 1 113 . 1 1 8 8 ASP C C 13 178.0 0.2 . 1 . . . . 8 ASP C . 16186 1 114 . 1 1 8 8 ASP CA C 13 57.3 0.2 . 1 . . . . 8 ASP CA . 16186 1 115 . 1 1 8 8 ASP CB C 13 40.6 0.2 . 1 . . . . 8 ASP CB . 16186 1 116 . 1 1 8 8 ASP N N 15 119.8 0.2 . 1 . . . . 8 ASP N . 16186 1 117 . 1 1 9 9 TYR H H 1 8.06 0.02 . 1 . . . . 9 TYR H . 16186 1 118 . 1 1 9 9 TYR HA H 1 4.00 0.02 . 1 . . . . 9 TYR HA . 16186 1 119 . 1 1 9 9 TYR HB2 H 1 3.18 0.02 . 2 . . . . 9 TYR HB2 . 16186 1 120 . 1 1 9 9 TYR HB3 H 1 2.86 0.02 . 2 . . . . 9 TYR HB3 . 16186 1 121 . 1 1 9 9 TYR HD1 H 1 6.71 0.02 . 3 . . . . 9 TYR HD1 . 16186 1 122 . 1 1 9 9 TYR HD2 H 1 6.71 0.02 . 3 . . . . 9 TYR HD2 . 16186 1 123 . 1 1 9 9 TYR HE1 H 1 6.39 0.02 . 3 . . . . 9 TYR HE1 . 16186 1 124 . 1 1 9 9 TYR HE2 H 1 6.39 0.02 . 3 . . . . 9 TYR HE2 . 16186 1 125 . 1 1 9 9 TYR C C 13 176.5 0.2 . 1 . . . . 9 TYR C . 16186 1 126 . 1 1 9 9 TYR CA C 13 61.7 0.2 . 1 . . . . 9 TYR CA . 16186 1 127 . 1 1 9 9 TYR CB C 13 38.6 0.2 . 1 . . . . 9 TYR CB . 16186 1 128 . 1 1 9 9 TYR CD1 C 13 132.2 0.02 . 3 . . . . 9 TYR CD1 . 16186 1 129 . 1 1 9 9 TYR CD2 C 13 132.2 0.02 . 3 . . . . 9 TYR CD2 . 16186 1 130 . 1 1 9 9 TYR CE1 C 13 116.7 0.02 . 3 . . . . 9 TYR CE1 . 16186 1 131 . 1 1 9 9 TYR CE2 C 13 116.7 0.02 . 3 . . . . 9 TYR CE2 . 16186 1 132 . 1 1 9 9 TYR N N 15 121.6 0.2 . 1 . . . . 9 TYR N . 16186 1 133 . 1 1 10 10 ALA H H 1 8.34 0.02 . 1 . . . . 10 ALA H . 16186 1 134 . 1 1 10 10 ALA HA H 1 3.73 0.02 . 1 . . . . 10 ALA HA . 16186 1 135 . 1 1 10 10 ALA HB1 H 1 1.02 0.02 . 1 . . . . 10 ALA HB . 16186 1 136 . 1 1 10 10 ALA HB2 H 1 1.02 0.02 . 1 . . . . 10 ALA HB . 16186 1 137 . 1 1 10 10 ALA HB3 H 1 1.02 0.02 . 1 . . . . 10 ALA HB . 16186 1 138 . 1 1 10 10 ALA C C 13 180.2 0.2 . 1 . . . . 10 ALA C . 16186 1 139 . 1 1 10 10 ALA CA C 13 55.2 0.2 . 1 . . . . 10 ALA CA . 16186 1 140 . 1 1 10 10 ALA CB C 13 17.3 0.2 . 1 . . . . 10 ALA CB . 16186 1 141 . 1 1 10 10 ALA N N 15 120.7 0.2 . 1 . . . . 10 ALA N . 16186 1 142 . 1 1 11 11 GLN H H 1 7.83 0.02 . 1 . . . . 11 GLN H . 16186 1 143 . 1 1 11 11 GLN HA H 1 4.13 0.02 . 1 . . . . 11 GLN HA . 16186 1 144 . 1 1 11 11 GLN HB2 H 1 2.31 0.02 . 2 . . . . 11 GLN HB2 . 16186 1 145 . 1 1 11 11 GLN HB3 H 1 2.18 0.02 . 2 . . . . 11 GLN HB3 . 16186 1 146 . 1 1 11 11 GLN HE21 H 1 7.27 0.02 . 1 . . . . 11 GLN HE21 . 16186 1 147 . 1 1 11 11 GLN HE22 H 1 6.75 0.02 . 1 . . . . 11 GLN HE22 . 16186 1 148 . 1 1 11 11 GLN HG2 H 1 2.35 0.02 . 2 . . . . 11 GLN HG2 . 16186 1 149 . 1 1 11 11 GLN HG3 H 1 2.35 0.02 . 2 . . . . 11 GLN HG3 . 16186 1 150 . 1 1 11 11 GLN C C 13 178.3 0.2 . 1 . . . . 11 GLN C . 16186 1 151 . 1 1 11 11 GLN CA C 13 59.2 0.2 . 1 . . . . 11 GLN CA . 16186 1 152 . 1 1 11 11 GLN CB C 13 28.6 0.2 . 1 . . . . 11 GLN CB . 16186 1 153 . 1 1 11 11 GLN CD C 13 179.7 0.2 . 1 . . . . 11 GLN CD . 16186 1 154 . 1 1 11 11 GLN CG C 13 34.3 0.2 . 1 . . . . 11 GLN CG . 16186 1 155 . 1 1 11 11 GLN N N 15 116.6 0.2 . 1 . . . . 11 GLN N . 16186 1 156 . 1 1 11 11 GLN NE2 N 15 111.7 0.2 . 1 . . . . 11 GLN NE2 . 16186 1 157 . 1 1 12 12 LYS H H 1 8.04 0.02 . 1 . . . . 12 LYS H . 16186 1 158 . 1 1 12 12 LYS HA H 1 3.89 0.02 . 1 . . . . 12 LYS HA . 16186 1 159 . 1 1 12 12 LYS HB2 H 1 1.72 0.02 . 2 . . . . 12 LYS HB2 . 16186 1 160 . 1 1 12 12 LYS HB3 H 1 1.62 0.02 . 2 . . . . 12 LYS HB3 . 16186 1 161 . 1 1 12 12 LYS HD2 H 1 1.62 0.02 . 2 . . . . 12 LYS HD2 . 16186 1 162 . 1 1 12 12 LYS HD3 H 1 1.63 0.02 . 2 . . . . 12 LYS HD3 . 16186 1 163 . 1 1 12 12 LYS HE2 H 1 2.92 0.02 . 2 . . . . 12 LYS HE2 . 16186 1 164 . 1 1 12 12 LYS HE3 H 1 2.92 0.02 . 2 . . . . 12 LYS HE3 . 16186 1 165 . 1 1 12 12 LYS HG2 H 1 1.36 0.02 . 2 . . . . 12 LYS HG2 . 16186 1 166 . 1 1 12 12 LYS HG3 H 1 1.36 0.02 . 2 . . . . 12 LYS HG3 . 16186 1 167 . 1 1 12 12 LYS C C 13 178.2 0.2 . 1 . . . . 12 LYS C . 16186 1 168 . 1 1 12 12 LYS CA C 13 58.8 0.2 . 1 . . . . 12 LYS CA . 16186 1 169 . 1 1 12 12 LYS CB C 13 32.7 0.2 . 1 . . . . 12 LYS CB . 16186 1 170 . 1 1 12 12 LYS CD C 13 29.1 0.2 . 1 . . . . 12 LYS CD . 16186 1 171 . 1 1 12 12 LYS CE C 13 42.3 0.2 . 1 . . . . 12 LYS CE . 16186 1 172 . 1 1 12 12 LYS CG C 13 25.1 0.2 . 1 . . . . 12 LYS CG . 16186 1 173 . 1 1 12 12 LYS N N 15 119.3 0.2 . 1 . . . . 12 LYS N . 16186 1 174 . 1 1 13 13 LYS H H 1 8.44 0.02 . 1 . . . . 13 LYS H . 16186 1 175 . 1 1 13 13 LYS HA H 1 3.61 0.02 . 1 . . . . 13 LYS HA . 16186 1 176 . 1 1 13 13 LYS HB2 H 1 0.43 0.02 . 2 . . . . 13 LYS HB2 . 16186 1 177 . 1 1 13 13 LYS HB3 H 1 0.32 0.02 . 2 . . . . 13 LYS HB3 . 16186 1 178 . 1 1 13 13 LYS HD2 H 1 1.07 0.02 . 2 . . . . 13 LYS HD2 . 16186 1 179 . 1 1 13 13 LYS HD3 H 1 0.90 0.02 . 2 . . . . 13 LYS HD3 . 16186 1 180 . 1 1 13 13 LYS HE2 H 1 2.47 0.02 . 2 . . . . 13 LYS HE2 . 16186 1 181 . 1 1 13 13 LYS HE3 H 1 2.58 0.02 . 2 . . . . 13 LYS HE3 . 16186 1 182 . 1 1 13 13 LYS HG2 H 1 0.09 0.02 . 2 . . . . 13 LYS HG2 . 16186 1 183 . 1 1 13 13 LYS HG3 H 1 -0.31 0.02 . 2 . . . . 13 LYS HG3 . 16186 1 184 . 1 1 13 13 LYS C C 13 177.6 0.2 . 1 . . . . 13 LYS C . 16186 1 185 . 1 1 13 13 LYS CA C 13 56.9 0.2 . 1 . . . . 13 LYS CA . 16186 1 186 . 1 1 13 13 LYS CB C 13 32.00 0.2 . 1 . . . . 13 LYS CB . 16186 1 187 . 1 1 13 13 LYS CD C 13 27.9 0.2 . 1 . . . . 13 LYS CD . 16186 1 188 . 1 1 13 13 LYS CE C 13 42.1 0.2 . 1 . . . . 13 LYS CE . 16186 1 189 . 1 1 13 13 LYS CG C 13 23.6 0.2 . 1 . . . . 13 LYS CG . 16186 1 190 . 1 1 13 13 LYS N N 15 117.7 0.2 . 1 . . . . 13 LYS N . 16186 1 191 . 1 1 14 14 TYR H H 1 6.78 0.02 . 1 . . . . 14 TYR H . 16186 1 192 . 1 1 14 14 TYR HA H 1 4.53 0.02 . 1 . . . . 14 TYR HA . 16186 1 193 . 1 1 14 14 TYR HB2 H 1 3.07 0.02 . 2 . . . . 14 TYR HB2 . 16186 1 194 . 1 1 14 14 TYR HB3 H 1 2.82 0.02 . 2 . . . . 14 TYR HB3 . 16186 1 195 . 1 1 14 14 TYR HD1 H 1 6.19 0.02 . 3 . . . . 14 TYR HD1 . 16186 1 196 . 1 1 14 14 TYR HD2 H 1 6.19 0.02 . 3 . . . . 14 TYR HD2 . 16186 1 197 . 1 1 14 14 TYR HE1 H 1 6.03 0.02 . 3 . . . . 14 TYR HE1 . 16186 1 198 . 1 1 14 14 TYR HE2 H 1 6.03 0.02 . 3 . . . . 14 TYR HE2 . 16186 1 199 . 1 1 14 14 TYR C C 13 175.8 0.2 . 1 . . . . 14 TYR C . 16186 1 200 . 1 1 14 14 TYR CA C 13 56.6 0.2 . 1 . . . . 14 TYR CA . 16186 1 201 . 1 1 14 14 TYR CB C 13 39.5 0.2 . 1 . . . . 14 TYR CB . 16186 1 202 . 1 1 14 14 TYR CD1 C 13 132.4 0.02 . 3 . . . . 14 TYR CD1 . 16186 1 203 . 1 1 14 14 TYR CD2 C 13 132.4 0.02 . 3 . . . . 14 TYR CD2 . 16186 1 204 . 1 1 14 14 TYR CE1 C 13 116.0 0.02 . 3 . . . . 14 TYR CE1 . 16186 1 205 . 1 1 14 14 TYR CE2 C 13 116.0 0.02 . 3 . . . . 14 TYR CE2 . 16186 1 206 . 1 1 14 14 TYR N N 15 113.1 0.2 . 1 . . . . 14 TYR N . 16186 1 207 . 1 1 15 15 ASP H H 1 7.62 0.02 . 1 . . . . 15 ASP H . 16186 1 208 . 1 1 15 15 ASP HA H 1 4.81 0.02 . 1 . . . . 15 ASP HA . 16186 1 209 . 1 1 15 15 ASP HB2 H 1 3.20 0.02 . 2 . . . . 15 ASP HB2 . 16186 1 210 . 1 1 15 15 ASP HB3 H 1 2.56 0.02 . 2 . . . . 15 ASP HB3 . 16186 1 211 . 1 1 15 15 ASP C C 13 175.2 0.2 . 1 . . . . 15 ASP C . 16186 1 212 . 1 1 15 15 ASP CA C 13 55.1 0.2 . 1 . . . . 15 ASP CA . 16186 1 213 . 1 1 15 15 ASP CB C 13 39.3 0.2 . 1 . . . . 15 ASP CB . 16186 1 214 . 1 1 15 15 ASP N N 15 119.6 0.2 . 1 . . . . 15 ASP N . 16186 1 215 . 1 1 16 16 THR H H 1 7.56 0.02 . 1 . . . . 16 THR H . 16186 1 216 . 1 1 16 16 THR HA H 1 4.65 0.02 . 1 . . . . 16 THR HA . 16186 1 217 . 1 1 16 16 THR HB H 1 3.91 0.02 . 1 . . . . 16 THR HB . 16186 1 218 . 1 1 16 16 THR HG1 H 1 6.25 0.02 . 1 . . . . 16 THR HG1 . 16186 1 219 . 1 1 16 16 THR HG21 H 1 1.48 0.02 . 1 . . . . 16 THR HG2 . 16186 1 220 . 1 1 16 16 THR HG22 H 1 1.48 0.02 . 1 . . . . 16 THR HG2 . 16186 1 221 . 1 1 16 16 THR HG23 H 1 1.48 0.02 . 1 . . . . 16 THR HG2 . 16186 1 222 . 1 1 16 16 THR C C 13 173.2 0.2 . 1 . . . . 16 THR C . 16186 1 223 . 1 1 16 16 THR CA C 13 61.5 0.2 . 1 . . . . 16 THR CA . 16186 1 224 . 1 1 16 16 THR CB C 13 71.0 0.2 . 1 . . . . 16 THR CB . 16186 1 225 . 1 1 16 16 THR CG2 C 13 23.8 0.2 . 1 . . . . 16 THR CG2 . 16186 1 226 . 1 1 16 16 THR N N 15 113.1 0.2 . 1 . . . . 16 THR N . 16186 1 227 . 1 1 17 17 LYS H H 1 8.83 0.02 . 1 . . . . 17 LYS H . 16186 1 228 . 1 1 17 17 LYS HA H 1 4.69 0.02 . 1 . . . . 17 LYS HA . 16186 1 229 . 1 1 17 17 LYS HB2 H 1 1.66 0.02 . 2 . . . . 17 LYS HB2 . 16186 1 230 . 1 1 17 17 LYS HB3 H 1 1.77 0.02 . 2 . . . . 17 LYS HB3 . 16186 1 231 . 1 1 17 17 LYS HD2 H 1 1.47 0.02 . 2 . . . . 17 LYS HD2 . 16186 1 232 . 1 1 17 17 LYS HD3 H 1 1.47 0.02 . 2 . . . . 17 LYS HD3 . 16186 1 233 . 1 1 17 17 LYS HE2 H 1 2.85 0.02 . 2 . . . . 17 LYS HE2 . 16186 1 234 . 1 1 17 17 LYS HE3 H 1 2.85 0.02 . 2 . . . . 17 LYS HE3 . 16186 1 235 . 1 1 17 17 LYS C C 13 173.2 0.2 . 1 . . . . 17 LYS C . 16186 1 236 . 1 1 17 17 LYS CA C 13 53.6 0.2 . 1 . . . . 17 LYS CA . 16186 1 237 . 1 1 17 17 LYS CB C 13 32.8 0.2 . 1 . . . . 17 LYS CB . 16186 1 238 . 1 1 17 17 LYS CD C 13 28.8 0.2 . 1 . . . . 17 LYS CD . 16186 1 239 . 1 1 17 17 LYS CE C 13 42.1 0.2 . 1 . . . . 17 LYS CE . 16186 1 240 . 1 1 17 17 LYS CG C 13 24.6 0.2 . 1 . . . . 17 LYS CG . 16186 1 241 . 1 1 17 17 LYS N N 15 127.2 0.2 . 1 . . . . 17 LYS N . 16186 1 242 . 1 1 18 18 PRO HA H 1 3.54 0.02 . 1 . . . . 18 PRO HA . 16186 1 243 . 1 1 18 18 PRO HB2 H 1 1.08 0.02 . 2 . . . . 18 PRO HB2 . 16186 1 244 . 1 1 18 18 PRO HB3 H 1 1.08 0.02 . 2 . . . . 18 PRO HB3 . 16186 1 245 . 1 1 18 18 PRO HD2 H 1 3.69 0.02 . 2 . . . . 18 PRO HD2 . 16186 1 246 . 1 1 18 18 PRO HD3 H 1 3.62 0.02 . 2 . . . . 18 PRO HD3 . 16186 1 247 . 1 1 18 18 PRO HG2 H 1 1.99 0.02 . 2 . . . . 18 PRO HG2 . 16186 1 248 . 1 1 18 18 PRO HG3 H 1 1.99 0.02 . 2 . . . . 18 PRO HG3 . 16186 1 249 . 1 1 18 18 PRO C C 13 175.8 0.2 . 1 . . . . 18 PRO C . 16186 1 250 . 1 1 18 18 PRO CA C 13 62.0 0.2 . 1 . . . . 18 PRO CA . 16186 1 251 . 1 1 18 18 PRO CB C 13 32.2 0.2 . 1 . . . . 18 PRO CB . 16186 1 252 . 1 1 18 18 PRO CD C 13 50.0 0.2 . 1 . . . . 18 PRO CD . 16186 1 253 . 1 1 18 18 PRO CG C 13 27.1 0.2 . 1 . . . . 18 PRO CG . 16186 1 254 . 1 1 19 19 ASP H H 1 8.31 0.02 . 1 . . . . 19 ASP H . 16186 1 255 . 1 1 19 19 ASP HA H 1 4.74 0.02 . 1 . . . . 19 ASP HA . 16186 1 256 . 1 1 19 19 ASP HB2 H 1 2.24 0.02 . 2 . . . . 19 ASP HB2 . 16186 1 257 . 1 1 19 19 ASP HB3 H 1 2.24 0.02 . 2 . . . . 19 ASP HB3 . 16186 1 258 . 1 1 19 19 ASP C C 13 175.1 0.2 . 1 . . . . 19 ASP C . 16186 1 259 . 1 1 19 19 ASP CA C 13 52.3 0.2 . 1 . . . . 19 ASP CA . 16186 1 260 . 1 1 19 19 ASP CB C 13 43.7 0.2 . 1 . . . . 19 ASP CB . 16186 1 261 . 1 1 19 19 ASP N N 15 120.3 0.2 . 1 . . . . 19 ASP N . 16186 1 262 . 1 1 20 20 HIS H H 1 8.62 0.02 . 1 . . . . 20 HIS H . 16186 1 263 . 1 1 20 20 HIS HA H 1 5.17 0.02 . 1 . . . . 20 HIS HA . 16186 1 264 . 1 1 20 20 HIS HB2 H 1 3.09 0.02 . 2 . . . . 20 HIS HB2 . 16186 1 265 . 1 1 20 20 HIS HB3 H 1 3.38 0.02 . 2 . . . . 20 HIS HB3 . 16186 1 266 . 1 1 20 20 HIS CA C 13 53.2 0.2 . 1 . . . . 20 HIS CA . 16186 1 267 . 1 1 20 20 HIS CB C 13 28.8 0.2 . 1 . . . . 20 HIS CB . 16186 1 268 . 1 1 20 20 HIS N N 15 118.8 0.2 . 1 . . . . 20 HIS N . 16186 1 269 . 1 1 21 21 PRO HA H 1 4.19 0.02 . 1 . . . . 21 PRO HA . 16186 1 270 . 1 1 21 21 PRO HB2 H 1 1.78 0.02 . 2 . . . . 21 PRO HB2 . 16186 1 271 . 1 1 21 21 PRO HB3 H 1 0.73 0.02 . 2 . . . . 21 PRO HB3 . 16186 1 272 . 1 1 21 21 PRO HD2 H 1 3.07 0.02 . 2 . . . . 21 PRO HD2 . 16186 1 273 . 1 1 21 21 PRO HD3 H 1 2.93 0.02 . 2 . . . . 21 PRO HD3 . 16186 1 274 . 1 1 21 21 PRO HG2 H 1 0.30 0.02 . 2 . . . . 21 PRO HG2 . 16186 1 275 . 1 1 21 21 PRO HG3 H 1 0.93 0.02 . 2 . . . . 21 PRO HG3 . 16186 1 276 . 1 1 21 21 PRO C C 13 176.6 0.2 . 1 . . . . 21 PRO C . 16186 1 277 . 1 1 21 21 PRO CA C 13 63.9 0.2 . 1 . . . . 21 PRO CA . 16186 1 278 . 1 1 21 21 PRO CB C 13 32.1 0.2 . 1 . . . . 21 PRO CB . 16186 1 279 . 1 1 21 21 PRO CD C 13 49.5 0.2 . 1 . . . . 21 PRO CD . 16186 1 280 . 1 1 21 21 PRO CG C 13 25.5 0.2 . 1 . . . . 21 PRO CG . 16186 1 281 . 1 1 22 22 TRP H H 1 8.34 0.02 . 1 . . . . 22 TRP H . 16186 1 282 . 1 1 22 22 TRP HA H 1 5.00 0.02 . 1 . . . . 22 TRP HA . 16186 1 283 . 1 1 22 22 TRP HB2 H 1 3.28 0.02 . 2 . . . . 22 TRP HB2 . 16186 1 284 . 1 1 22 22 TRP HB3 H 1 3.39 0.02 . 2 . . . . 22 TRP HB3 . 16186 1 285 . 1 1 22 22 TRP HD1 H 1 7.39 0.02 . 1 . . . . 22 TRP HD1 . 16186 1 286 . 1 1 22 22 TRP HE1 H 1 10.31 0.02 . 1 . . . . 22 TRP HE1 . 16186 1 287 . 1 1 22 22 TRP HE3 H 1 7.85 0.02 . 1 . . . . 22 TRP HE3 . 16186 1 288 . 1 1 22 22 TRP HH2 H 1 6.90 0.02 . 1 . . . . 22 TRP HH2 . 16186 1 289 . 1 1 22 22 TRP HZ2 H 1 7.62 0.02 . 1 . . . . 22 TRP HZ2 . 16186 1 290 . 1 1 22 22 TRP HZ3 H 1 6.66 0.02 . 1 . . . . 22 TRP HZ3 . 16186 1 291 . 1 1 22 22 TRP C C 13 174.2 0.2 . 1 . . . . 22 TRP C . 16186 1 292 . 1 1 22 22 TRP CA C 13 57.1 0.2 . 1 . . . . 22 TRP CA . 16186 1 293 . 1 1 22 22 TRP CB C 13 29.4 0.2 . 1 . . . . 22 TRP CB . 16186 1 294 . 1 1 22 22 TRP CD1 C 13 126.3 0.2 . 1 . . . . 22 TRP CD1 . 16186 1 295 . 1 1 22 22 TRP CE3 C 13 120.9 0.2 . 1 . . . . 22 TRP CE3 . 16186 1 296 . 1 1 22 22 TRP CH2 C 13 124.7 0.2 . 1 . . . . 22 TRP CH2 . 16186 1 297 . 1 1 22 22 TRP CZ2 C 13 114.5 0.2 . 1 . . . . 22 TRP CZ2 . 16186 1 298 . 1 1 22 22 TRP CZ3 C 13 120.9 0.2 . 1 . . . . 22 TRP CZ3 . 16186 1 299 . 1 1 22 22 TRP N N 15 118.7 0.2 . 1 . . . . 22 TRP N . 16186 1 300 . 1 1 22 22 TRP NE1 N 15 130.2 0.2 . 1 . . . . 22 TRP NE1 . 16186 1 301 . 1 1 23 23 GLU H H 1 9.03 0.02 . 1 . . . . 23 GLU H . 16186 1 302 . 1 1 23 23 GLU HA H 1 4.00 0.02 . 1 . . . . 23 GLU HA . 16186 1 303 . 1 1 23 23 GLU HB2 H 1 2.00 0.02 . 2 . . . . 23 GLU HB2 . 16186 1 304 . 1 1 23 23 GLU HB3 H 1 2.06 0.02 . 2 . . . . 23 GLU HB3 . 16186 1 305 . 1 1 23 23 GLU HG2 H 1 2.33 0.02 . 2 . . . . 23 GLU HG2 . 16186 1 306 . 1 1 23 23 GLU HG3 H 1 2.27 0.02 . 2 . . . . 23 GLU HG3 . 16186 1 307 . 1 1 23 23 GLU C C 13 177.9 0.2 . 1 . . . . 23 GLU C . 16186 1 308 . 1 1 23 23 GLU CA C 13 59.1 0.2 . 1 . . . . 23 GLU CA . 16186 1 309 . 1 1 23 23 GLU CB C 13 29.2 0.2 . 1 . . . . 23 GLU CB . 16186 1 310 . 1 1 23 23 GLU CG C 13 35.4 0.2 . 1 . . . . 23 GLU CG . 16186 1 311 . 1 1 23 23 GLU N N 15 128.4 0.2 . 1 . . . . 23 GLU N . 16186 1 312 . 1 1 24 24 LYS H H 1 8.50 0.02 . 1 . . . . 24 LYS H . 16186 1 313 . 1 1 24 24 LYS HA H 1 3.89 0.02 . 1 . . . . 24 LYS HA . 16186 1 314 . 1 1 24 24 LYS HB2 H 1 1.43 0.02 . 2 . . . . 24 LYS HB2 . 16186 1 315 . 1 1 24 24 LYS HB3 H 1 1.24 0.02 . 2 . . . . 24 LYS HB3 . 16186 1 316 . 1 1 24 24 LYS HD2 H 1 1.47 0.02 . 2 . . . . 24 LYS HD2 . 16186 1 317 . 1 1 24 24 LYS HD3 H 1 1.47 0.02 . 2 . . . . 24 LYS HD3 . 16186 1 318 . 1 1 24 24 LYS HE2 H 1 2.84 0.02 . 2 . . . . 24 LYS HE2 . 16186 1 319 . 1 1 24 24 LYS HE3 H 1 2.84 0.02 . 2 . . . . 24 LYS HE3 . 16186 1 320 . 1 1 24 24 LYS HG2 H 1 1.17 0.02 . 2 . . . . 24 LYS HG2 . 16186 1 321 . 1 1 24 24 LYS HG3 H 1 1.00 0.02 . 2 . . . . 24 LYS HG3 . 16186 1 322 . 1 1 24 24 LYS C C 13 175.3 0.2 . 1 . . . . 24 LYS C . 16186 1 323 . 1 1 24 24 LYS CA C 13 57.1 0.2 . 1 . . . . 24 LYS CA . 16186 1 324 . 1 1 24 24 LYS CB C 13 32.3 0.2 . 1 . . . . 24 LYS CB . 16186 1 325 . 1 1 24 24 LYS CD C 13 25.3 0.2 . 1 . . . . 24 LYS CD . 16186 1 326 . 1 1 24 24 LYS CE C 13 42.2 0.2 . 1 . . . . 24 LYS CE . 16186 1 327 . 1 1 24 24 LYS CG C 13 25.1 0.2 . 1 . . . . 24 LYS CG . 16186 1 328 . 1 1 24 24 LYS N N 15 115.1 0.2 . 1 . . . . 24 LYS N . 16186 1 329 . 1 1 25 25 PHE H H 1 7.01 0.02 . 1 . . . . 25 PHE H . 16186 1 330 . 1 1 25 25 PHE HA H 1 4.74 0.02 . 1 . . . . 25 PHE HA . 16186 1 331 . 1 1 25 25 PHE HB2 H 1 2.21 0.02 . 2 . . . . 25 PHE HB2 . 16186 1 332 . 1 1 25 25 PHE HB3 H 1 1.79 0.02 . 2 . . . . 25 PHE HB3 . 16186 1 333 . 1 1 25 25 PHE HD1 H 1 6.61 0.02 . 3 . . . . 25 PHE HD1 . 16186 1 334 . 1 1 25 25 PHE HD2 H 1 6.61 0.02 . 3 . . . . 25 PHE HD2 . 16186 1 335 . 1 1 25 25 PHE HE1 H 1 7.06 0.02 . 3 . . . . 25 PHE HE1 . 16186 1 336 . 1 1 25 25 PHE HE2 H 1 7.06 0.02 . 3 . . . . 25 PHE HE2 . 16186 1 337 . 1 1 25 25 PHE HZ H 1 7.07 0.02 . 1 . . . . 25 PHE HZ . 16186 1 338 . 1 1 25 25 PHE C C 13 175.3 0.2 . 1 . . . . 25 PHE C . 16186 1 339 . 1 1 25 25 PHE CA C 13 54.3 0.2 . 1 . . . . 25 PHE CA . 16186 1 340 . 1 1 25 25 PHE CB C 13 39.2 0.2 . 1 . . . . 25 PHE CB . 16186 1 341 . 1 1 25 25 PHE CD1 C 13 132.1 0.02 . 3 . . . . 25 PHE CD1 . 16186 1 342 . 1 1 25 25 PHE CD2 C 13 132.1 0.02 . 3 . . . . 25 PHE CD2 . 16186 1 343 . 1 1 25 25 PHE CE1 C 13 130.4 0.02 . 3 . . . . 25 PHE CE1 . 16186 1 344 . 1 1 25 25 PHE CE2 C 13 130.4 0.02 . 3 . . . . 25 PHE CE2 . 16186 1 345 . 1 1 25 25 PHE CZ C 13 128.7 0.2 . 1 . . . . 25 PHE CZ . 16186 1 346 . 1 1 25 25 PHE N N 15 115.1 0.2 . 1 . . . . 25 PHE N . 16186 1 347 . 1 1 26 26 PRO HA H 1 4.38 0.02 . 1 . . . . 26 PRO HA . 16186 1 348 . 1 1 26 26 PRO HB2 H 1 2.25 0.02 . 2 . . . . 26 PRO HB2 . 16186 1 349 . 1 1 26 26 PRO HB3 H 1 1.88 0.02 . 2 . . . . 26 PRO HB3 . 16186 1 350 . 1 1 26 26 PRO HD2 H 1 3.26 0.02 . 2 . . . . 26 PRO HD2 . 16186 1 351 . 1 1 26 26 PRO HD3 H 1 3.52 0.02 . 2 . . . . 26 PRO HD3 . 16186 1 352 . 1 1 26 26 PRO HG2 H 1 1.95 0.02 . 2 . . . . 26 PRO HG2 . 16186 1 353 . 1 1 26 26 PRO HG3 H 1 1.87 0.02 . 2 . . . . 26 PRO HG3 . 16186 1 354 . 1 1 26 26 PRO C C 13 176.9 0.2 . 1 . . . . 26 PRO C . 16186 1 355 . 1 1 26 26 PRO CA C 13 64.9 0.2 . 1 . . . . 26 PRO CA . 16186 1 356 . 1 1 26 26 PRO CB C 13 32.2 0.2 . 1 . . . . 26 PRO CB . 16186 1 357 . 1 1 26 26 PRO CD C 13 50.0 0.2 . 1 . . . . 26 PRO CD . 16186 1 358 . 1 1 26 26 PRO CG C 13 26.8 0.2 . 1 . . . . 26 PRO CG . 16186 1 359 . 1 1 27 27 ASP H H 1 8.86 0.02 . 1 . . . . 27 ASP H . 16186 1 360 . 1 1 27 27 ASP HA H 1 4.81 0.02 . 1 . . . . 27 ASP HA . 16186 1 361 . 1 1 27 27 ASP HB2 H 1 2.88 0.02 . 2 . . . . 27 ASP HB2 . 16186 1 362 . 1 1 27 27 ASP HB3 H 1 2.81 0.02 . 2 . . . . 27 ASP HB3 . 16186 1 363 . 1 1 27 27 ASP C C 13 177.2 0.2 . 1 . . . . 27 ASP C . 16186 1 364 . 1 1 27 27 ASP CA C 13 53.9 0.2 . 1 . . . . 27 ASP CA . 16186 1 365 . 1 1 27 27 ASP CB C 13 39.9 0.2 . 1 . . . . 27 ASP CB . 16186 1 366 . 1 1 27 27 ASP N N 15 114.4 0.2 . 1 . . . . 27 ASP N . 16186 1 367 . 1 1 28 28 TYR H H 1 8.30 0.02 . 1 . . . . 28 TYR H . 16186 1 368 . 1 1 28 28 TYR HA H 1 5.50 0.02 . 1 . . . . 28 TYR HA . 16186 1 369 . 1 1 28 28 TYR HB2 H 1 3.93 0.02 . 2 . . . . 28 TYR HB2 . 16186 1 370 . 1 1 28 28 TYR HB3 H 1 2.98 0.02 . 2 . . . . 28 TYR HB3 . 16186 1 371 . 1 1 28 28 TYR HD1 H 1 6.76 0.02 . 3 . . . . 28 TYR HD1 . 16186 1 372 . 1 1 28 28 TYR HD2 H 1 6.76 0.02 . 3 . . . . 28 TYR HD2 . 16186 1 373 . 1 1 28 28 TYR HE1 H 1 6.33 0.02 . 3 . . . . 28 TYR HE1 . 16186 1 374 . 1 1 28 28 TYR HE2 H 1 6.33 0.02 . 3 . . . . 28 TYR HE2 . 16186 1 375 . 1 1 28 28 TYR C C 13 175.9 0.2 . 1 . . . . 28 TYR C . 16186 1 376 . 1 1 28 28 TYR CA C 13 55.6 0.2 . 1 . . . . 28 TYR CA . 16186 1 377 . 1 1 28 28 TYR CB C 13 36.4 0.2 . 1 . . . . 28 TYR CB . 16186 1 378 . 1 1 28 28 TYR CD1 C 13 130.2 0.02 . 3 . . . . 28 TYR CD1 . 16186 1 379 . 1 1 28 28 TYR CD2 C 13 130.2 0.02 . 3 . . . . 28 TYR CD2 . 16186 1 380 . 1 1 28 28 TYR CE1 C 13 118.2 0.02 . 3 . . . . 28 TYR CE1 . 16186 1 381 . 1 1 28 28 TYR CE2 C 13 118.2 0.02 . 3 . . . . 28 TYR CE2 . 16186 1 382 . 1 1 28 28 TYR N N 15 123.7 0.2 . 1 . . . . 28 TYR N . 16186 1 383 . 1 1 29 29 ALA H H 1 9.24 0.02 . 1 . . . . 29 ALA H . 16186 1 384 . 1 1 29 29 ALA HA H 1 5.03 0.02 . 1 . . . . 29 ALA HA . 16186 1 385 . 1 1 29 29 ALA HB1 H 1 1.10 0.02 . 1 . . . . 29 ALA HB . 16186 1 386 . 1 1 29 29 ALA HB2 H 1 1.10 0.02 . 1 . . . . 29 ALA HB . 16186 1 387 . 1 1 29 29 ALA HB3 H 1 1.10 0.02 . 1 . . . . 29 ALA HB . 16186 1 388 . 1 1 29 29 ALA C C 13 174.6 0.2 . 1 . . . . 29 ALA C . 16186 1 389 . 1 1 29 29 ALA CA C 13 49.7 0.2 . 1 . . . . 29 ALA CA . 16186 1 390 . 1 1 29 29 ALA CB C 13 22.8 0.2 . 1 . . . . 29 ALA CB . 16186 1 391 . 1 1 29 29 ALA N N 15 126.0 0.2 . 1 . . . . 29 ALA N . 16186 1 392 . 1 1 30 30 VAL H H 1 8.53 0.02 . 1 . . . . 30 VAL H . 16186 1 393 . 1 1 30 30 VAL HA H 1 4.25 0.02 . 1 . . . . 30 VAL HA . 16186 1 394 . 1 1 30 30 VAL HB H 1 0.99 0.02 . 1 . . . . 30 VAL HB . 16186 1 395 . 1 1 30 30 VAL HG11 H 1 -0.45 0.02 . 2 . . . . 30 VAL HG1 . 16186 1 396 . 1 1 30 30 VAL HG12 H 1 -0.45 0.02 . 2 . . . . 30 VAL HG1 . 16186 1 397 . 1 1 30 30 VAL HG13 H 1 -0.45 0.02 . 2 . . . . 30 VAL HG1 . 16186 1 398 . 1 1 30 30 VAL HG21 H 1 -0.17 0.02 . 2 . . . . 30 VAL HG2 . 16186 1 399 . 1 1 30 30 VAL HG22 H 1 -0.17 0.02 . 2 . . . . 30 VAL HG2 . 16186 1 400 . 1 1 30 30 VAL HG23 H 1 -0.17 0.02 . 2 . . . . 30 VAL HG2 . 16186 1 401 . 1 1 30 30 VAL C C 13 173.4 0.2 . 1 . . . . 30 VAL C . 16186 1 402 . 1 1 30 30 VAL CA C 13 60.3 0.2 . 1 . . . . 30 VAL CA . 16186 1 403 . 1 1 30 30 VAL CB C 13 34.1 0.2 . 1 . . . . 30 VAL CB . 16186 1 404 . 1 1 30 30 VAL CG1 C 13 20.1 0.02 . 2 . . . . 30 VAL CG1 . 16186 1 405 . 1 1 30 30 VAL CG2 C 13 21.2 0.02 . 2 . . . . 30 VAL CG2 . 16186 1 406 . 1 1 30 30 VAL N N 15 119.7 0.2 . 1 . . . . 30 VAL N . 16186 1 407 . 1 1 31 31 PHE H H 1 8.04 0.02 . 1 . . . . 31 PHE H . 16186 1 408 . 1 1 31 31 PHE HA H 1 4.25 0.02 . 1 . . . . 31 PHE HA . 16186 1 409 . 1 1 31 31 PHE HB2 H 1 2.31 0.02 . 2 . . . . 31 PHE HB2 . 16186 1 410 . 1 1 31 31 PHE HB3 H 1 2.28 0.02 . 2 . . . . 31 PHE HB3 . 16186 1 411 . 1 1 31 31 PHE HD1 H 1 6.90 0.02 . 3 . . . . 31 PHE HD1 . 16186 1 412 . 1 1 31 31 PHE HD2 H 1 6.90 0.02 . 3 . . . . 31 PHE HD2 . 16186 1 413 . 1 1 31 31 PHE HE1 H 1 7.24 0.02 . 3 . . . . 31 PHE HE1 . 16186 1 414 . 1 1 31 31 PHE HE2 H 1 7.24 0.02 . 3 . . . . 31 PHE HE2 . 16186 1 415 . 1 1 31 31 PHE HZ H 1 7.07 0.02 . 1 . . . . 31 PHE HZ . 16186 1 416 . 1 1 31 31 PHE C C 13 173.2 0.2 . 1 . . . . 31 PHE C . 16186 1 417 . 1 1 31 31 PHE CA C 13 56.7 0.2 . 1 . . . . 31 PHE CA . 16186 1 418 . 1 1 31 31 PHE CB C 13 38.5 0.2 . 1 . . . . 31 PHE CB . 16186 1 419 . 1 1 31 31 PHE CD1 C 13 131.9 0.02 . 3 . . . . 31 PHE CD1 . 16186 1 420 . 1 1 31 31 PHE CD2 C 13 131.9 0.02 . 3 . . . . 31 PHE CD2 . 16186 1 421 . 1 1 31 31 PHE CE1 C 13 131.0 0.02 . 3 . . . . 31 PHE CE1 . 16186 1 422 . 1 1 31 31 PHE CE2 C 13 131.0 0.02 . 3 . . . . 31 PHE CE2 . 16186 1 423 . 1 1 31 31 PHE CZ C 13 128.4 0.2 . 1 . . . . 31 PHE CZ . 16186 1 424 . 1 1 31 31 PHE N N 15 124.1 0.2 . 1 . . . . 31 PHE N . 16186 1 425 . 1 1 32 32 ARG H H 1 8.72 0.02 . 1 . . . . 32 ARG H . 16186 1 426 . 1 1 32 32 ARG HA H 1 5.32 0.02 . 1 . . . . 32 ARG HA . 16186 1 427 . 1 1 32 32 ARG HB2 H 1 1.64 0.02 . 2 . . . . 32 ARG HB2 . 16186 1 428 . 1 1 32 32 ARG HB3 H 1 1.57 0.02 . 2 . . . . 32 ARG HB3 . 16186 1 429 . 1 1 32 32 ARG HD2 H 1 3.10 0.02 . 2 . . . . 32 ARG HD2 . 16186 1 430 . 1 1 32 32 ARG HD3 H 1 3.06 0.02 . 2 . . . . 32 ARG HD3 . 16186 1 431 . 1 1 32 32 ARG HE H 1 7.51 0.02 . 1 . . . . 32 ARG HE . 16186 1 432 . 1 1 32 32 ARG HG2 H 1 1.63 0.02 . 2 . . . . 32 ARG HG2 . 16186 1 433 . 1 1 32 32 ARG HG3 H 1 1.25 0.02 . 2 . . . . 32 ARG HG3 . 16186 1 434 . 1 1 32 32 ARG C C 13 176.4 0.2 . 1 . . . . 32 ARG C . 16186 1 435 . 1 1 32 32 ARG CA C 13 53.4 0.2 . 1 . . . . 32 ARG CA . 16186 1 436 . 1 1 32 32 ARG CB C 13 34.2 0.2 . 1 . . . . 32 ARG CB . 16186 1 437 . 1 1 32 32 ARG CD C 13 43.1 0.2 . 1 . . . . 32 ARG CD . 16186 1 438 . 1 1 32 32 ARG CG C 13 27.9 0.2 . 1 . . . . 32 ARG CG . 16186 1 439 . 1 1 32 32 ARG CZ C 13 159.6 0.2 . 1 . . . . 32 ARG CZ . 16186 1 440 . 1 1 32 32 ARG N N 15 122.3 0.2 . 1 . . . . 32 ARG N . 16186 1 441 . 1 1 32 32 ARG NE N 15 84.4 0.2 . 1 . . . . 32 ARG NE . 16186 1 442 . 1 1 33 33 HIS H H 1 8.56 0.02 . 1 . . . . 33 HIS H . 16186 1 443 . 1 1 33 33 HIS HA H 1 4.71 0.02 . 1 . . . . 33 HIS HA . 16186 1 444 . 1 1 33 33 HIS HB2 H 1 3.42 0.02 . 2 . . . . 33 HIS HB2 . 16186 1 445 . 1 1 33 33 HIS HB3 H 1 3.94 0.02 . 2 . . . . 33 HIS HB3 . 16186 1 446 . 1 1 33 33 HIS C C 13 176.4 0.2 . 1 . . . . 33 HIS C . 16186 1 447 . 1 1 33 33 HIS CA C 13 56.5 0.2 . 1 . . . . 33 HIS CA . 16186 1 448 . 1 1 33 33 HIS CB C 13 28.9 0.2 . 1 . . . . 33 HIS CB . 16186 1 449 . 1 1 33 33 HIS N N 15 119.8 0.2 . 1 . . . . 33 HIS N . 16186 1 450 . 1 1 34 34 SER H H 1 9.16 0.02 . 1 . . . . 34 SER H . 16186 1 451 . 1 1 34 34 SER HA H 1 4.39 0.02 . 1 . . . . 34 SER HA . 16186 1 452 . 1 1 34 34 SER HB2 H 1 4.07 0.02 . 2 . . . . 34 SER HB2 . 16186 1 453 . 1 1 34 34 SER HB3 H 1 4.07 0.02 . 2 . . . . 34 SER HB3 . 16186 1 454 . 1 1 34 34 SER C C 13 174.9 0.2 . 1 . . . . 34 SER C . 16186 1 455 . 1 1 34 34 SER CA C 13 60.4 0.2 . 1 . . . . 34 SER CA . 16186 1 456 . 1 1 34 34 SER CB C 13 63.2 0.2 . 1 . . . . 34 SER CB . 16186 1 457 . 1 1 34 34 SER N N 15 118.7 0.2 . 1 . . . . 34 SER N . 16186 1 458 . 1 1 35 35 ASP H H 1 8.66 0.02 . 1 . . . . 35 ASP H . 16186 1 459 . 1 1 35 35 ASP HA H 1 4.57 0.02 . 1 . . . . 35 ASP HA . 16186 1 460 . 1 1 35 35 ASP HB2 H 1 2.78 0.02 . 2 . . . . 35 ASP HB2 . 16186 1 461 . 1 1 35 35 ASP HB3 H 1 2.78 0.02 . 2 . . . . 35 ASP HB3 . 16186 1 462 . 1 1 35 35 ASP C C 13 177.0 0.2 . 1 . . . . 35 ASP C . 16186 1 463 . 1 1 35 35 ASP CA C 13 54.3 0.2 . 1 . . . . 35 ASP CA . 16186 1 464 . 1 1 35 35 ASP CB C 13 39.7 0.2 . 1 . . . . 35 ASP CB . 16186 1 465 . 1 1 35 35 ASP N N 15 118.2 0.2 . 1 . . . . 35 ASP N . 16186 1 466 . 1 1 36 36 ASN H H 1 7.90 0.02 . 1 . . . . 36 ASN H . 16186 1 467 . 1 1 36 36 ASN HA H 1 4.66 0.02 . 1 . . . . 36 ASN HA . 16186 1 468 . 1 1 36 36 ASN HB2 H 1 3.14 0.02 . 2 . . . . 36 ASN HB2 . 16186 1 469 . 1 1 36 36 ASN HB3 H 1 2.57 0.02 . 2 . . . . 36 ASN HB3 . 16186 1 470 . 1 1 36 36 ASN HD21 H 1 7.22 0.02 . 1 . . . . 36 ASN HD21 . 16186 1 471 . 1 1 36 36 ASN HD22 H 1 6.74 0.02 . 1 . . . . 36 ASN HD22 . 16186 1 472 . 1 1 36 36 ASN C C 13 175.1 0.2 . 1 . . . . 36 ASN C . 16186 1 473 . 1 1 36 36 ASN CA C 13 52.0 0.2 . 1 . . . . 36 ASN CA . 16186 1 474 . 1 1 36 36 ASN CB C 13 38.9 0.2 . 1 . . . . 36 ASN CB . 16186 1 475 . 1 1 36 36 ASN CG C 13 175.9 0.2 . 1 . . . . 36 ASN CG . 16186 1 476 . 1 1 36 36 ASN N N 15 116.2 0.2 . 1 . . . . 36 ASN N . 16186 1 477 . 1 1 36 36 ASN ND2 N 15 109.3 0.2 . 1 . . . . 36 ASN ND2 . 16186 1 478 . 1 1 37 37 ASP H H 1 7.89 0.02 . 1 . . . . 37 ASP H . 16186 1 479 . 1 1 37 37 ASP HA H 1 4.67 0.02 . 1 . . . . 37 ASP HA . 16186 1 480 . 1 1 37 37 ASP HB2 H 1 3.02 0.02 . 2 . . . . 37 ASP HB2 . 16186 1 481 . 1 1 37 37 ASP HB3 H 1 2.78 0.02 . 2 . . . . 37 ASP HB3 . 16186 1 482 . 1 1 37 37 ASP C C 13 175.8 0.2 . 1 . . . . 37 ASP C . 16186 1 483 . 1 1 37 37 ASP CA C 13 55.8 0.2 . 1 . . . . 37 ASP CA . 16186 1 484 . 1 1 37 37 ASP CB C 13 40.5 0.2 . 1 . . . . 37 ASP CB . 16186 1 485 . 1 1 37 37 ASP N N 15 115.3 0.2 . 1 . . . . 37 ASP N . 16186 1 486 . 1 1 38 38 LYS H H 1 8.31 0.02 . 1 . . . . 38 LYS H . 16186 1 487 . 1 1 38 38 LYS HA H 1 4.39 0.02 . 1 . . . . 38 LYS HA . 16186 1 488 . 1 1 38 38 LYS HB2 H 1 2.13 0.02 . 2 . . . . 38 LYS HB2 . 16186 1 489 . 1 1 38 38 LYS HB3 H 1 2.13 0.02 . 2 . . . . 38 LYS HB3 . 16186 1 490 . 1 1 38 38 LYS HD2 H 1 1.82 0.02 . 2 . . . . 38 LYS HD2 . 16186 1 491 . 1 1 38 38 LYS HD3 H 1 1.82 0.02 . 2 . . . . 38 LYS HD3 . 16186 1 492 . 1 1 38 38 LYS HE2 H 1 2.93 0.02 . 2 . . . . 38 LYS HE2 . 16186 1 493 . 1 1 38 38 LYS HE3 H 1 2.93 0.02 . 2 . . . . 38 LYS HE3 . 16186 1 494 . 1 1 38 38 LYS HG2 H 1 1.62 0.02 . 2 . . . . 38 LYS HG2 . 16186 1 495 . 1 1 38 38 LYS HG3 H 1 1.62 0.02 . 2 . . . . 38 LYS HG3 . 16186 1 496 . 1 1 38 38 LYS C C 13 175.3 0.2 . 1 . . . . 38 LYS C . 16186 1 497 . 1 1 38 38 LYS CA C 13 56.7 0.2 . 1 . . . . 38 LYS CA . 16186 1 498 . 1 1 38 38 LYS CB C 13 32.5 0.2 . 1 . . . . 38 LYS CB . 16186 1 499 . 1 1 38 38 LYS CD C 13 30.3 0.2 . 1 . . . . 38 LYS CD . 16186 1 500 . 1 1 38 38 LYS CE C 13 42.1 0.2 . 1 . . . . 38 LYS CE . 16186 1 501 . 1 1 38 38 LYS CG C 13 29.1 0.2 . 1 . . . . 38 LYS CG . 16186 1 502 . 1 1 38 38 LYS N N 15 119.3 0.2 . 1 . . . . 38 LYS N . 16186 1 503 . 1 1 39 39 TRP HA H 1 5.00 0.02 . 1 . . . . 39 TRP HA . 16186 1 504 . 1 1 39 39 TRP HB2 H 1 3.08 0.02 . 2 . . . . 39 TRP HB2 . 16186 1 505 . 1 1 39 39 TRP HB3 H 1 3.38 0.02 . 2 . . . . 39 TRP HB3 . 16186 1 506 . 1 1 39 39 TRP HD1 H 1 7.15 0.02 . 1 . . . . 39 TRP HD1 . 16186 1 507 . 1 1 39 39 TRP HE1 H 1 9.92 0.02 . 1 . . . . 39 TRP HE1 . 16186 1 508 . 1 1 39 39 TRP HE3 H 1 7.11 0.02 . 1 . . . . 39 TRP HE3 . 16186 1 509 . 1 1 39 39 TRP HH2 H 1 7.17 0.02 . 1 . . . . 39 TRP HH2 . 16186 1 510 . 1 1 39 39 TRP HZ2 H 1 7.40 0.02 . 1 . . . . 39 TRP HZ2 . 16186 1 511 . 1 1 39 39 TRP HZ3 H 1 7.15 0.02 . 1 . . . . 39 TRP HZ3 . 16186 1 512 . 1 1 39 39 TRP C C 13 176.1 0.2 . 1 . . . . 39 TRP C . 16186 1 513 . 1 1 39 39 TRP CA C 13 55.7 0.2 . 1 . . . . 39 TRP CA . 16186 1 514 . 1 1 39 39 TRP CB C 13 30.3 0.2 . 1 . . . . 39 TRP CB . 16186 1 515 . 1 1 39 39 TRP CD1 C 13 124.7 0.2 . 1 . . . . 39 TRP CD1 . 16186 1 516 . 1 1 39 39 TRP CE3 C 13 120.2 0.2 . 1 . . . . 39 TRP CE3 . 16186 1 517 . 1 1 39 39 TRP CH2 C 13 125.3 0.2 . 1 . . . . 39 TRP CH2 . 16186 1 518 . 1 1 39 39 TRP CZ2 C 13 114.5 0.2 . 1 . . . . 39 TRP CZ2 . 16186 1 519 . 1 1 39 39 TRP CZ3 C 13 122.3 0.2 . 1 . . . . 39 TRP CZ3 . 16186 1 520 . 1 1 39 39 TRP NE1 N 15 128.0 0.2 . 1 . . . . 39 TRP NE1 . 16186 1 521 . 1 1 40 40 TYR H H 1 9.27 0.02 . 1 . . . . 40 TYR H . 16186 1 522 . 1 1 40 40 TYR HA H 1 5.28 0.02 . 1 . . . . 40 TYR HA . 16186 1 523 . 1 1 40 40 TYR HB2 H 1 2.97 0.02 . 2 . . . . 40 TYR HB2 . 16186 1 524 . 1 1 40 40 TYR HB3 H 1 2.84 0.02 . 2 . . . . 40 TYR HB3 . 16186 1 525 . 1 1 40 40 TYR C C 13 175.4 0.2 . 1 . . . . 40 TYR C . 16186 1 526 . 1 1 40 40 TYR CA C 13 55.7 0.2 . 1 . . . . 40 TYR CA . 16186 1 527 . 1 1 40 40 TYR CB C 13 40.3 0.2 . 1 . . . . 40 TYR CB . 16186 1 528 . 1 1 40 40 TYR N N 15 114.0 0.2 . 1 . . . . 40 TYR N . 16186 1 529 . 1 1 41 41 ALA H H 1 7.76 0.02 . 1 . . . . 41 ALA H . 16186 1 530 . 1 1 41 41 ALA HA H 1 5.58 0.02 . 1 . . . . 41 ALA HA . 16186 1 531 . 1 1 41 41 ALA HB1 H 1 1.34 0.02 . 1 . . . . 41 ALA HB . 16186 1 532 . 1 1 41 41 ALA HB2 H 1 1.34 0.02 . 1 . . . . 41 ALA HB . 16186 1 533 . 1 1 41 41 ALA HB3 H 1 1.34 0.02 . 1 . . . . 41 ALA HB . 16186 1 534 . 1 1 41 41 ALA C C 13 177.3 0.2 . 1 . . . . 41 ALA C . 16186 1 535 . 1 1 41 41 ALA CA C 13 52.9 0.2 . 1 . . . . 41 ALA CA . 16186 1 536 . 1 1 41 41 ALA CB C 13 21.9 0.2 . 1 . . . . 41 ALA CB . 16186 1 537 . 1 1 41 41 ALA N N 15 121.5 0.2 . 1 . . . . 41 ALA N . 16186 1 538 . 1 1 42 42 LEU H H 1 8.30 0.02 . 1 . . . . 42 LEU H . 16186 1 539 . 1 1 42 42 LEU HA H 1 5.20 0.02 . 1 . . . . 42 LEU HA . 16186 1 540 . 1 1 42 42 LEU HB2 H 1 1.64 0.02 . 2 . . . . 42 LEU HB2 . 16186 1 541 . 1 1 42 42 LEU HB3 H 1 1.36 0.02 . 2 . . . . 42 LEU HB3 . 16186 1 542 . 1 1 42 42 LEU HD11 H 1 0.88 0.02 . 2 . . . . 42 LEU HD1 . 16186 1 543 . 1 1 42 42 LEU HD12 H 1 0.88 0.02 . 2 . . . . 42 LEU HD1 . 16186 1 544 . 1 1 42 42 LEU HD13 H 1 0.88 0.02 . 2 . . . . 42 LEU HD1 . 16186 1 545 . 1 1 42 42 LEU HD21 H 1 0.74 0.02 . 2 . . . . 42 LEU HD2 . 16186 1 546 . 1 1 42 42 LEU HD22 H 1 0.74 0.02 . 2 . . . . 42 LEU HD2 . 16186 1 547 . 1 1 42 42 LEU HD23 H 1 0.74 0.02 . 2 . . . . 42 LEU HD2 . 16186 1 548 . 1 1 42 42 LEU HG H 1 1.32 0.02 . 1 . . . . 42 LEU HG . 16186 1 549 . 1 1 42 42 LEU C C 13 173.3 0.2 . 1 . . . . 42 LEU C . 16186 1 550 . 1 1 42 42 LEU CA C 13 54.1 0.2 . 1 . . . . 42 LEU CA . 16186 1 551 . 1 1 42 42 LEU CB C 13 45.9 0.2 . 1 . . . . 42 LEU CB . 16186 1 552 . 1 1 42 42 LEU CD1 C 13 26.7 0.02 . 2 . . . . 42 LEU CD1 . 16186 1 553 . 1 1 42 42 LEU CD2 C 13 23.6 0.02 . 2 . . . . 42 LEU CD2 . 16186 1 554 . 1 1 42 42 LEU CG C 13 28.3 0.2 . 1 . . . . 42 LEU CG . 16186 1 555 . 1 1 42 42 LEU N N 15 123.7 0.2 . 1 . . . . 42 LEU N . 16186 1 556 . 1 1 43 43 LEU H H 1 9.70 0.02 . 1 . . . . 43 LEU H . 16186 1 557 . 1 1 43 43 LEU HA H 1 5.25 0.02 . 1 . . . . 43 LEU HA . 16186 1 558 . 1 1 43 43 LEU HB2 H 1 2.21 0.02 . 2 . . . . 43 LEU HB2 . 16186 1 559 . 1 1 43 43 LEU HB3 H 1 1.36 0.02 . 2 . . . . 43 LEU HB3 . 16186 1 560 . 1 1 43 43 LEU HD11 H 1 1.07 0.02 . 2 . . . . 43 LEU HD1 . 16186 1 561 . 1 1 43 43 LEU HD12 H 1 1.07 0.02 . 2 . . . . 43 LEU HD1 . 16186 1 562 . 1 1 43 43 LEU HD13 H 1 1.07 0.02 . 2 . . . . 43 LEU HD1 . 16186 1 563 . 1 1 43 43 LEU HD21 H 1 0.75 0.02 . 2 . . . . 43 LEU HD2 . 16186 1 564 . 1 1 43 43 LEU HD22 H 1 0.75 0.02 . 2 . . . . 43 LEU HD2 . 16186 1 565 . 1 1 43 43 LEU HD23 H 1 0.75 0.02 . 2 . . . . 43 LEU HD2 . 16186 1 566 . 1 1 43 43 LEU HG H 1 1.63 0.02 . 1 . . . . 43 LEU HG . 16186 1 567 . 1 1 43 43 LEU C C 13 173.3 0.2 . 1 . . . . 43 LEU C . 16186 1 568 . 1 1 43 43 LEU CA C 13 54.0 0.2 . 1 . . . . 43 LEU CA . 16186 1 569 . 1 1 43 43 LEU CB C 13 46.0 0.2 . 1 . . . . 43 LEU CB . 16186 1 570 . 1 1 43 43 LEU CD1 C 13 27.0 0.02 . 2 . . . . 43 LEU CD1 . 16186 1 571 . 1 1 43 43 LEU CD2 C 13 23.6 0.02 . 2 . . . . 43 LEU CD2 . 16186 1 572 . 1 1 43 43 LEU CG C 13 27.7 0.2 . 1 . . . . 43 LEU CG . 16186 1 573 . 1 1 43 43 LEU N N 15 130.4 0.2 . 1 . . . . 43 LEU N . 16186 1 574 . 1 1 44 44 MET H H 1 8.80 0.02 . 1 . . . . 44 MET H . 16186 1 575 . 1 1 44 44 MET HA H 1 4.42 0.02 . 1 . . . . 44 MET HA . 16186 1 576 . 1 1 44 44 MET HB2 H 1 1.18 0.02 . 2 . . . . 44 MET HB2 . 16186 1 577 . 1 1 44 44 MET HB3 H 1 1.05 0.02 . 2 . . . . 44 MET HB3 . 16186 1 578 . 1 1 44 44 MET HE1 H 1 1.72 0.02 . 1 . . . . 44 MET HE . 16186 1 579 . 1 1 44 44 MET HE2 H 1 1.72 0.02 . 1 . . . . 44 MET HE . 16186 1 580 . 1 1 44 44 MET HE3 H 1 1.72 0.02 . 1 . . . . 44 MET HE . 16186 1 581 . 1 1 44 44 MET HG2 H 1 1.51 0.02 . 2 . . . . 44 MET HG2 . 16186 1 582 . 1 1 44 44 MET HG3 H 1 1.51 0.02 . 2 . . . . 44 MET HG3 . 16186 1 583 . 1 1 44 44 MET C C 13 172.5 0.2 . 1 . . . . 44 MET C . 16186 1 584 . 1 1 44 44 MET CA C 13 55.0 0.2 . 1 . . . . 44 MET CA . 16186 1 585 . 1 1 44 44 MET CB C 13 39.1 0.2 . 1 . . . . 44 MET CB . 16186 1 586 . 1 1 44 44 MET CE C 13 18.0 0.2 . 1 . . . . 44 MET CE . 16186 1 587 . 1 1 44 44 MET CG C 13 32.0 0.2 . 1 . . . . 44 MET CG . 16186 1 588 . 1 1 44 44 MET N N 15 122.8 0.2 . 1 . . . . 44 MET N . 16186 1 589 . 1 1 45 45 ASP H H 1 7.96 0.02 . 1 . . . . 45 ASP H . 16186 1 590 . 1 1 45 45 ASP HA H 1 5.49 0.02 . 1 . . . . 45 ASP HA . 16186 1 591 . 1 1 45 45 ASP HB2 H 1 2.75 0.02 . 2 . . . . 45 ASP HB2 . 16186 1 592 . 1 1 45 45 ASP HB3 H 1 2.33 0.02 . 2 . . . . 45 ASP HB3 . 16186 1 593 . 1 1 45 45 ASP C C 13 175.2 0.2 . 1 . . . . 45 ASP C . 16186 1 594 . 1 1 45 45 ASP CA C 13 51.9 0.2 . 1 . . . . 45 ASP CA . 16186 1 595 . 1 1 45 45 ASP CB C 13 40.8 0.2 . 1 . . . . 45 ASP CB . 16186 1 596 . 1 1 45 45 ASP N N 15 119.4 0.2 . 1 . . . . 45 ASP N . 16186 1 597 . 1 1 46 46 ILE H H 1 8.80 0.02 . 1 . . . . 46 ILE H . 16186 1 598 . 1 1 46 46 ILE HA H 1 4.87 0.02 . 1 . . . . 46 ILE HA . 16186 1 599 . 1 1 46 46 ILE HB H 1 1.28 0.02 . 1 . . . . 46 ILE HB . 16186 1 600 . 1 1 46 46 ILE HD11 H 1 0.01 0.02 . 1 . . . . 46 ILE HD1 . 16186 1 601 . 1 1 46 46 ILE HD12 H 1 0.01 0.02 . 1 . . . . 46 ILE HD1 . 16186 1 602 . 1 1 46 46 ILE HD13 H 1 0.01 0.02 . 1 . . . . 46 ILE HD1 . 16186 1 603 . 1 1 46 46 ILE HG12 H 1 0.51 0.02 . 2 . . . . 46 ILE HG12 . 16186 1 604 . 1 1 46 46 ILE HG13 H 1 0.99 0.02 . 2 . . . . 46 ILE HG13 . 16186 1 605 . 1 1 46 46 ILE HG21 H 1 0.44 0.02 . 1 . . . . 46 ILE HG2 . 16186 1 606 . 1 1 46 46 ILE HG22 H 1 0.44 0.02 . 1 . . . . 46 ILE HG2 . 16186 1 607 . 1 1 46 46 ILE HG23 H 1 0.44 0.02 . 1 . . . . 46 ILE HG2 . 16186 1 608 . 1 1 46 46 ILE CA C 13 57.7 0.2 . 1 . . . . 46 ILE CA . 16186 1 609 . 1 1 46 46 ILE CB C 13 40.1 0.2 . 1 . . . . 46 ILE CB . 16186 1 610 . 1 1 46 46 ILE CD1 C 13 14.5 0.2 . 1 . . . . 46 ILE CD1 . 16186 1 611 . 1 1 46 46 ILE CG1 C 13 24.7 0.2 . 1 . . . . 46 ILE CG1 . 16186 1 612 . 1 1 46 46 ILE CG2 C 13 19.0 0.2 . 1 . . . . 46 ILE CG2 . 16186 1 613 . 1 1 46 46 ILE N N 15 117.4 0.2 . 1 . . . . 46 ILE N . 16186 1 614 . 1 1 47 47 PRO HA H 1 4.42 0.02 . 1 . . . . 47 PRO HA . 16186 1 615 . 1 1 47 47 PRO HB2 H 1 2.46 0.02 . 2 . . . . 47 PRO HB2 . 16186 1 616 . 1 1 47 47 PRO HB3 H 1 1.83 0.02 . 2 . . . . 47 PRO HB3 . 16186 1 617 . 1 1 47 47 PRO HD2 H 1 3.34 0.02 . 2 . . . . 47 PRO HD2 . 16186 1 618 . 1 1 47 47 PRO HD3 H 1 3.80 0.02 . 2 . . . . 47 PRO HD3 . 16186 1 619 . 1 1 47 47 PRO HG2 H 1 1.97 0.02 . 2 . . . . 47 PRO HG2 . 16186 1 620 . 1 1 47 47 PRO HG3 H 1 2.09 0.02 . 2 . . . . 47 PRO HG3 . 16186 1 621 . 1 1 47 47 PRO C C 13 177.8 0.2 . 1 . . . . 47 PRO C . 16186 1 622 . 1 1 47 47 PRO CA C 13 63.0 0.2 . 1 . . . . 47 PRO CA . 16186 1 623 . 1 1 47 47 PRO CB C 13 31.9 0.2 . 1 . . . . 47 PRO CB . 16186 1 624 . 1 1 47 47 PRO CD C 13 51.1 0.2 . 1 . . . . 47 PRO CD . 16186 1 625 . 1 1 47 47 PRO CG C 13 28.4 0.2 . 1 . . . . 47 PRO CG . 16186 1 626 . 1 1 48 48 ALA H H 1 8.55 0.02 . 1 . . . . 48 ALA H . 16186 1 627 . 1 1 48 48 ALA HA H 1 3.55 0.02 . 1 . . . . 48 ALA HA . 16186 1 628 . 1 1 48 48 ALA HB1 H 1 1.17 0.02 . 1 . . . . 48 ALA HB . 16186 1 629 . 1 1 48 48 ALA HB2 H 1 1.17 0.02 . 1 . . . . 48 ALA HB . 16186 1 630 . 1 1 48 48 ALA HB3 H 1 1.17 0.02 . 1 . . . . 48 ALA HB . 16186 1 631 . 1 1 48 48 ALA C C 13 179.2 0.2 . 1 . . . . 48 ALA C . 16186 1 632 . 1 1 48 48 ALA CA C 13 55.2 0.2 . 1 . . . . 48 ALA CA . 16186 1 633 . 1 1 48 48 ALA CB C 13 17.7 0.2 . 1 . . . . 48 ALA CB . 16186 1 634 . 1 1 48 48 ALA N N 15 130.1 0.2 . 1 . . . . 48 ALA N . 16186 1 635 . 1 1 49 49 GLU H H 1 8.70 0.02 . 1 . . . . 49 GLU H . 16186 1 636 . 1 1 49 49 GLU HA H 1 4.18 0.02 . 1 . . . . 49 GLU HA . 16186 1 637 . 1 1 49 49 GLU HB2 H 1 2.10 0.02 . 2 . . . . 49 GLU HB2 . 16186 1 638 . 1 1 49 49 GLU HB3 H 1 2.10 0.02 . 2 . . . . 49 GLU HB3 . 16186 1 639 . 1 1 49 49 GLU HG2 H 1 2.28 0.02 . 2 . . . . 49 GLU HG2 . 16186 1 640 . 1 1 49 49 GLU HG3 H 1 2.28 0.02 . 2 . . . . 49 GLU HG3 . 16186 1 641 . 1 1 49 49 GLU C C 13 179.8 0.2 . 1 . . . . 49 GLU C . 16186 1 642 . 1 1 49 49 GLU CA C 13 58.2 0.2 . 1 . . . . 49 GLU CA . 16186 1 643 . 1 1 49 49 GLU CB C 13 28.2 0.2 . 1 . . . . 49 GLU CB . 16186 1 644 . 1 1 49 49 GLU CG C 13 34.6 0.2 . 1 . . . . 49 GLU CG . 16186 1 645 . 1 1 49 49 GLU N N 15 114.9 0.2 . 1 . . . . 49 GLU N . 16186 1 646 . 1 1 50 50 LYS H H 1 7.91 0.02 . 1 . . . . 50 LYS H . 16186 1 647 . 1 1 50 50 LYS HA H 1 4.06 0.02 . 1 . . . . 50 LYS HA . 16186 1 648 . 1 1 50 50 LYS HB2 H 1 1.73 0.02 . 2 . . . . 50 LYS HB2 . 16186 1 649 . 1 1 50 50 LYS HB3 H 1 1.71 0.02 . 2 . . . . 50 LYS HB3 . 16186 1 650 . 1 1 50 50 LYS HD2 H 1 1.63 0.02 . 2 . . . . 50 LYS HD2 . 16186 1 651 . 1 1 50 50 LYS HD3 H 1 1.64 0.02 . 2 . . . . 50 LYS HD3 . 16186 1 652 . 1 1 50 50 LYS HE2 H 1 2.75 0.02 . 2 . . . . 50 LYS HE2 . 16186 1 653 . 1 1 50 50 LYS HE3 H 1 2.86 0.02 . 2 . . . . 50 LYS HE3 . 16186 1 654 . 1 1 50 50 LYS HG2 H 1 1.42 0.02 . 2 . . . . 50 LYS HG2 . 16186 1 655 . 1 1 50 50 LYS HG3 H 1 1.42 0.02 . 2 . . . . 50 LYS HG3 . 16186 1 656 . 1 1 50 50 LYS C C 13 178.1 0.2 . 1 . . . . 50 LYS C . 16186 1 657 . 1 1 50 50 LYS CA C 13 56.9 0.2 . 1 . . . . 50 LYS CA . 16186 1 658 . 1 1 50 50 LYS CB C 13 31.7 0.2 . 1 . . . . 50 LYS CB . 16186 1 659 . 1 1 50 50 LYS CD C 13 27.7 0.2 . 1 . . . . 50 LYS CD . 16186 1 660 . 1 1 50 50 LYS CE C 13 42.6 0.2 . 1 . . . . 50 LYS CE . 16186 1 661 . 1 1 50 50 LYS CG C 13 25.2 0.2 . 1 . . . . 50 LYS CG . 16186 1 662 . 1 1 50 50 LYS N N 15 118.1 0.2 . 1 . . . . 50 LYS N . 16186 1 663 . 1 1 51 51 ILE H H 1 7.19 0.02 . 1 . . . . 51 ILE H . 16186 1 664 . 1 1 51 51 ILE HA H 1 4.49 0.02 . 1 . . . . 51 ILE HA . 16186 1 665 . 1 1 51 51 ILE HB H 1 1.73 0.02 . 1 . . . . 51 ILE HB . 16186 1 666 . 1 1 51 51 ILE HD11 H 1 0.10 0.02 . 1 . . . . 51 ILE HD1 . 16186 1 667 . 1 1 51 51 ILE HD12 H 1 0.10 0.02 . 1 . . . . 51 ILE HD1 . 16186 1 668 . 1 1 51 51 ILE HD13 H 1 0.10 0.02 . 1 . . . . 51 ILE HD1 . 16186 1 669 . 1 1 51 51 ILE HG12 H 1 0.95 0.02 . 2 . . . . 51 ILE HG12 . 16186 1 670 . 1 1 51 51 ILE HG13 H 1 0.56 0.02 . 2 . . . . 51 ILE HG13 . 16186 1 671 . 1 1 51 51 ILE HG21 H 1 0.40 0.02 . 1 . . . . 51 ILE HG2 . 16186 1 672 . 1 1 51 51 ILE HG22 H 1 0.40 0.02 . 1 . . . . 51 ILE HG2 . 16186 1 673 . 1 1 51 51 ILE HG23 H 1 0.40 0.02 . 1 . . . . 51 ILE HG2 . 16186 1 674 . 1 1 51 51 ILE C C 13 175.3 0.2 . 1 . . . . 51 ILE C . 16186 1 675 . 1 1 51 51 ILE CA C 13 60.1 0.2 . 1 . . . . 51 ILE CA . 16186 1 676 . 1 1 51 51 ILE CB C 13 37.4 0.2 . 1 . . . . 51 ILE CB . 16186 1 677 . 1 1 51 51 ILE CD1 C 13 14.4 0.2 . 1 . . . . 51 ILE CD1 . 16186 1 678 . 1 1 51 51 ILE CG1 C 13 25.9 0.2 . 1 . . . . 51 ILE CG1 . 16186 1 679 . 1 1 51 51 ILE CG2 C 13 17.1 0.2 . 1 . . . . 51 ILE CG2 . 16186 1 680 . 1 1 51 51 ILE N N 15 109.0 0.2 . 1 . . . . 51 ILE N . 16186 1 681 . 1 1 52 52 GLY H H 1 7.37 0.02 . 1 . . . . 52 GLY H . 16186 1 682 . 1 1 52 52 GLY HA2 H 1 4.05 0.02 . 2 . . . . 52 GLY HA2 . 16186 1 683 . 1 1 52 52 GLY HA3 H 1 3.73 0.02 . 2 . . . . 52 GLY HA3 . 16186 1 684 . 1 1 52 52 GLY C C 13 174.2 0.2 . 1 . . . . 52 GLY C . 16186 1 685 . 1 1 52 52 GLY CA C 13 46.1 0.2 . 1 . . . . 52 GLY CA . 16186 1 686 . 1 1 52 52 GLY N N 15 106.9 0.2 . 1 . . . . 52 GLY N . 16186 1 687 . 1 1 53 53 ILE H H 1 7.26 0.02 . 1 . . . . 53 ILE H . 16186 1 688 . 1 1 53 53 ILE HA H 1 4.04 0.02 . 1 . . . . 53 ILE HA . 16186 1 689 . 1 1 53 53 ILE HB H 1 1.45 0.02 . 1 . . . . 53 ILE HB . 16186 1 690 . 1 1 53 53 ILE HD11 H 1 0.59 0.02 . 1 . . . . 53 ILE HD1 . 16186 1 691 . 1 1 53 53 ILE HD12 H 1 0.59 0.02 . 1 . . . . 53 ILE HD1 . 16186 1 692 . 1 1 53 53 ILE HD13 H 1 0.59 0.02 . 1 . . . . 53 ILE HD1 . 16186 1 693 . 1 1 53 53 ILE HG12 H 1 0.85 0.02 . 2 . . . . 53 ILE HG12 . 16186 1 694 . 1 1 53 53 ILE HG13 H 1 1.22 0.02 . 2 . . . . 53 ILE HG13 . 16186 1 695 . 1 1 53 53 ILE HG21 H 1 0.79 0.02 . 1 . . . . 53 ILE HG2 . 16186 1 696 . 1 1 53 53 ILE HG22 H 1 0.79 0.02 . 1 . . . . 53 ILE HG2 . 16186 1 697 . 1 1 53 53 ILE HG23 H 1 0.79 0.02 . 1 . . . . 53 ILE HG2 . 16186 1 698 . 1 1 53 53 ILE C C 13 174.7 0.2 . 1 . . . . 53 ILE C . 16186 1 699 . 1 1 53 53 ILE CA C 13 60.5 0.2 . 1 . . . . 53 ILE CA . 16186 1 700 . 1 1 53 53 ILE CB C 13 38.7 0.2 . 1 . . . . 53 ILE CB . 16186 1 701 . 1 1 53 53 ILE CD1 C 13 14.0 0.2 . 1 . . . . 53 ILE CD1 . 16186 1 702 . 1 1 53 53 ILE CG1 C 13 27.8 0.2 . 1 . . . . 53 ILE CG1 . 16186 1 703 . 1 1 53 53 ILE CG2 C 13 16.8 0.2 . 1 . . . . 53 ILE CG2 . 16186 1 704 . 1 1 53 53 ILE N N 15 121.9 0.2 . 1 . . . . 53 ILE N . 16186 1 705 . 1 1 54 54 ASN H H 1 8.28 0.02 . 1 . . . . 54 ASN H . 16186 1 706 . 1 1 54 54 ASN HA H 1 4.54 0.02 . 1 . . . . 54 ASN HA . 16186 1 707 . 1 1 54 54 ASN HB2 H 1 2.82 0.02 . 2 . . . . 54 ASN HB2 . 16186 1 708 . 1 1 54 54 ASN HB3 H 1 2.69 0.02 . 2 . . . . 54 ASN HB3 . 16186 1 709 . 1 1 54 54 ASN HD21 H 1 7.60 0.02 . 1 . . . . 54 ASN HD21 . 16186 1 710 . 1 1 54 54 ASN HD22 H 1 6.93 0.02 . 1 . . . . 54 ASN HD22 . 16186 1 711 . 1 1 54 54 ASN C C 13 175.4 0.2 . 1 . . . . 54 ASN C . 16186 1 712 . 1 1 54 54 ASN CA C 13 53.7 0.2 . 1 . . . . 54 ASN CA . 16186 1 713 . 1 1 54 54 ASN CB C 13 39.0 0.2 . 1 . . . . 54 ASN CB . 16186 1 714 . 1 1 54 54 ASN CG C 13 176.7 0.2 . 1 . . . . 54 ASN CG . 16186 1 715 . 1 1 54 54 ASN N N 15 123.3 0.2 . 1 . . . . 54 ASN N . 16186 1 716 . 1 1 54 54 ASN ND2 N 15 113.0 0.2 . 1 . . . . 54 ASN ND2 . 16186 1 717 . 1 1 55 55 GLY H H 1 8.24 0.02 . 1 . . . . 55 GLY H . 16186 1 718 . 1 1 55 55 GLY HA2 H 1 4.23 0.02 . 2 . . . . 55 GLY HA2 . 16186 1 719 . 1 1 55 55 GLY HA3 H 1 3.74 0.02 . 2 . . . . 55 GLY HA3 . 16186 1 720 . 1 1 55 55 GLY C C 13 173.2 0.2 . 1 . . . . 55 GLY C . 16186 1 721 . 1 1 55 55 GLY CA C 13 44.8 0.2 . 1 . . . . 55 GLY CA . 16186 1 722 . 1 1 55 55 GLY N N 15 110.2 0.2 . 1 . . . . 55 GLY N . 16186 1 723 . 1 1 56 56 ASP H H 1 8.32 0.02 . 1 . . . . 56 ASP H . 16186 1 724 . 1 1 56 56 ASP HA H 1 4.70 0.02 . 1 . . . . 56 ASP HA . 16186 1 725 . 1 1 56 56 ASP HB2 H 1 2.64 0.02 . 2 . . . . 56 ASP HB2 . 16186 1 726 . 1 1 56 56 ASP HB3 H 1 2.69 0.02 . 2 . . . . 56 ASP HB3 . 16186 1 727 . 1 1 56 56 ASP C C 13 175.8 0.2 . 1 . . . . 56 ASP C . 16186 1 728 . 1 1 56 56 ASP CA C 13 53.4 0.2 . 1 . . . . 56 ASP CA . 16186 1 729 . 1 1 56 56 ASP CB C 13 40.5 0.2 . 1 . . . . 56 ASP CB . 16186 1 730 . 1 1 56 56 ASP N N 15 119.0 0.2 . 1 . . . . 56 ASP N . 16186 1 731 . 1 1 57 57 LYS H H 1 7.78 0.02 . 1 . . . . 57 LYS H . 16186 1 732 . 1 1 57 57 LYS HA H 1 4.40 0.02 . 1 . . . . 57 LYS HA . 16186 1 733 . 1 1 57 57 LYS HB2 H 1 1.82 0.02 . 2 . . . . 57 LYS HB2 . 16186 1 734 . 1 1 57 57 LYS HB3 H 1 1.74 0.02 . 2 . . . . 57 LYS HB3 . 16186 1 735 . 1 1 57 57 LYS HD2 H 1 1.62 0.02 . 2 . . . . 57 LYS HD2 . 16186 1 736 . 1 1 57 57 LYS HD3 H 1 1.62 0.02 . 2 . . . . 57 LYS HD3 . 16186 1 737 . 1 1 57 57 LYS HE2 H 1 2.91 0.02 . 2 . . . . 57 LYS HE2 . 16186 1 738 . 1 1 57 57 LYS HE3 H 1 2.91 0.02 . 2 . . . . 57 LYS HE3 . 16186 1 739 . 1 1 57 57 LYS HG2 H 1 1.31 0.02 . 2 . . . . 57 LYS HG2 . 16186 1 740 . 1 1 57 57 LYS HG3 H 1 1.31 0.02 . 2 . . . . 57 LYS HG3 . 16186 1 741 . 1 1 57 57 LYS C C 13 175.7 0.2 . 1 . . . . 57 LYS C . 16186 1 742 . 1 1 57 57 LYS CA C 13 55.6 0.2 . 1 . . . . 57 LYS CA . 16186 1 743 . 1 1 57 57 LYS CB C 13 33.7 0.2 . 1 . . . . 57 LYS CB . 16186 1 744 . 1 1 57 57 LYS CD C 13 28.9 0.2 . 1 . . . . 57 LYS CD . 16186 1 745 . 1 1 57 57 LYS CE C 13 42.2 0.2 . 1 . . . . 57 LYS CE . 16186 1 746 . 1 1 57 57 LYS CG C 13 24.7 0.2 . 1 . . . . 57 LYS CG . 16186 1 747 . 1 1 57 57 LYS N N 15 119.5 0.2 . 1 . . . . 57 LYS N . 16186 1 748 . 1 1 58 58 ARG H H 1 8.41 0.02 . 1 . . . . 58 ARG H . 16186 1 749 . 1 1 58 58 ARG HA H 1 4.74 0.02 . 1 . . . . 58 ARG HA . 16186 1 750 . 1 1 58 58 ARG HB2 H 1 1.61 0.02 . 2 . . . . 58 ARG HB2 . 16186 1 751 . 1 1 58 58 ARG HB3 H 1 1.57 0.02 . 2 . . . . 58 ARG HB3 . 16186 1 752 . 1 1 58 58 ARG HD2 H 1 3.20 0.02 . 2 . . . . 58 ARG HD2 . 16186 1 753 . 1 1 58 58 ARG HD3 H 1 3.02 0.02 . 2 . . . . 58 ARG HD3 . 16186 1 754 . 1 1 58 58 ARG HE H 1 7.79 0.02 . 1 . . . . 58 ARG HE . 16186 1 755 . 1 1 58 58 ARG HG2 H 1 1.32 0.02 . 2 . . . . 58 ARG HG2 . 16186 1 756 . 1 1 58 58 ARG HG3 H 1 1.59 0.02 . 2 . . . . 58 ARG HG3 . 16186 1 757 . 1 1 58 58 ARG C C 13 176.2 0.2 . 1 . . . . 58 ARG C . 16186 1 758 . 1 1 58 58 ARG CA C 13 55.3 0.2 . 1 . . . . 58 ARG CA . 16186 1 759 . 1 1 58 58 ARG CB C 13 31.7 0.2 . 1 . . . . 58 ARG CB . 16186 1 760 . 1 1 58 58 ARG CD C 13 43.9 0.2 . 1 . . . . 58 ARG CD . 16186 1 761 . 1 1 58 58 ARG CG C 13 26.7 0.2 . 1 . . . . 58 ARG CG . 16186 1 762 . 1 1 58 58 ARG CZ C 13 160.2 0.2 . 1 . . . . 58 ARG CZ . 16186 1 763 . 1 1 58 58 ARG N N 15 120.9 0.2 . 1 . . . . 58 ARG N . 16186 1 764 . 1 1 58 58 ARG NE N 15 85.8 0.2 . 1 . . . . 58 ARG NE . 16186 1 765 . 1 1 59 59 VAL H H 1 9.03 0.02 . 1 . . . . 59 VAL H . 16186 1 766 . 1 1 59 59 VAL HA H 1 4.57 0.02 . 1 . . . . 59 VAL HA . 16186 1 767 . 1 1 59 59 VAL HB H 1 1.95 0.02 . 1 . . . . 59 VAL HB . 16186 1 768 . 1 1 59 59 VAL HG11 H 1 0.74 0.02 . 2 . . . . 59 VAL HG1 . 16186 1 769 . 1 1 59 59 VAL HG12 H 1 0.74 0.02 . 2 . . . . 59 VAL HG1 . 16186 1 770 . 1 1 59 59 VAL HG13 H 1 0.74 0.02 . 2 . . . . 59 VAL HG1 . 16186 1 771 . 1 1 59 59 VAL HG21 H 1 0.48 0.02 . 2 . . . . 59 VAL HG2 . 16186 1 772 . 1 1 59 59 VAL HG22 H 1 0.48 0.02 . 2 . . . . 59 VAL HG2 . 16186 1 773 . 1 1 59 59 VAL HG23 H 1 0.48 0.02 . 2 . . . . 59 VAL HG2 . 16186 1 774 . 1 1 59 59 VAL C C 13 173.9 0.2 . 1 . . . . 59 VAL C . 16186 1 775 . 1 1 59 59 VAL CA C 13 58.7 0.2 . 1 . . . . 59 VAL CA . 16186 1 776 . 1 1 59 59 VAL CB C 13 34.7 0.2 . 1 . . . . 59 VAL CB . 16186 1 777 . 1 1 59 59 VAL CG1 C 13 22.4 0.02 . 2 . . . . 59 VAL CG1 . 16186 1 778 . 1 1 59 59 VAL CG2 C 13 18.3 0.02 . 2 . . . . 59 VAL CG2 . 16186 1 779 . 1 1 59 59 VAL N N 15 115.6 0.2 . 1 . . . . 59 VAL N . 16186 1 780 . 1 1 60 60 ASP H H 1 8.29 0.02 . 1 . . . . 60 ASP H . 16186 1 781 . 1 1 60 60 ASP HA H 1 5.56 0.02 . 1 . . . . 60 ASP HA . 16186 1 782 . 1 1 60 60 ASP HB2 H 1 2.51 0.02 . 2 . . . . 60 ASP HB2 . 16186 1 783 . 1 1 60 60 ASP HB3 H 1 2.24 0.02 . 2 . . . . 60 ASP HB3 . 16186 1 784 . 1 1 60 60 ASP C C 13 175.8 0.2 . 1 . . . . 60 ASP C . 16186 1 785 . 1 1 60 60 ASP CA C 13 53.6 0.2 . 1 . . . . 60 ASP CA . 16186 1 786 . 1 1 60 60 ASP CB C 13 43.1 0.2 . 1 . . . . 60 ASP CB . 16186 1 787 . 1 1 60 60 ASP N N 15 120.7 0.2 . 1 . . . . 60 ASP N . 16186 1 788 . 1 1 61 61 VAL H H 1 9.08 0.02 . 1 . . . . 61 VAL H . 16186 1 789 . 1 1 61 61 VAL HA H 1 5.15 0.02 . 1 . . . . 61 VAL HA . 16186 1 790 . 1 1 61 61 VAL HB H 1 1.99 0.02 . 1 . . . . 61 VAL HB . 16186 1 791 . 1 1 61 61 VAL HG11 H 1 0.54 0.02 . 2 . . . . 61 VAL HG1 . 16186 1 792 . 1 1 61 61 VAL HG12 H 1 0.54 0.02 . 2 . . . . 61 VAL HG1 . 16186 1 793 . 1 1 61 61 VAL HG13 H 1 0.54 0.02 . 2 . . . . 61 VAL HG1 . 16186 1 794 . 1 1 61 61 VAL HG21 H 1 0.52 0.02 . 2 . . . . 61 VAL HG2 . 16186 1 795 . 1 1 61 61 VAL HG22 H 1 0.52 0.02 . 2 . . . . 61 VAL HG2 . 16186 1 796 . 1 1 61 61 VAL HG23 H 1 0.52 0.02 . 2 . . . . 61 VAL HG2 . 16186 1 797 . 1 1 61 61 VAL C C 13 173.8 0.2 . 1 . . . . 61 VAL C . 16186 1 798 . 1 1 61 61 VAL CA C 13 57.6 0.2 . 1 . . . . 61 VAL CA . 16186 1 799 . 1 1 61 61 VAL CB C 13 35.5 0.2 . 1 . . . . 61 VAL CB . 16186 1 800 . 1 1 61 61 VAL CG1 C 13 21.0 0.02 . 2 . . . . 61 VAL CG1 . 16186 1 801 . 1 1 61 61 VAL CG2 C 13 18.3 0.02 . 2 . . . . 61 VAL CG2 . 16186 1 802 . 1 1 61 61 VAL N N 15 115.2 0.2 . 1 . . . . 61 VAL N . 16186 1 803 . 1 1 62 62 ILE H H 1 8.53 0.02 . 1 . . . . 62 ILE H . 16186 1 804 . 1 1 62 62 ILE HA H 1 5.55 0.02 . 1 . . . . 62 ILE HA . 16186 1 805 . 1 1 62 62 ILE HB H 1 1.25 0.02 . 1 . . . . 62 ILE HB . 16186 1 806 . 1 1 62 62 ILE HD11 H 1 0.34 0.02 . 1 . . . . 62 ILE HD1 . 16186 1 807 . 1 1 62 62 ILE HD12 H 1 0.34 0.02 . 1 . . . . 62 ILE HD1 . 16186 1 808 . 1 1 62 62 ILE HD13 H 1 0.34 0.02 . 1 . . . . 62 ILE HD1 . 16186 1 809 . 1 1 62 62 ILE HG12 H 1 1.45 0.02 . 2 . . . . 62 ILE HG12 . 16186 1 810 . 1 1 62 62 ILE HG13 H 1 0.72 0.02 . 2 . . . . 62 ILE HG13 . 16186 1 811 . 1 1 62 62 ILE HG21 H 1 0.12 0.02 . 1 . . . . 62 ILE HG2 . 16186 1 812 . 1 1 62 62 ILE HG22 H 1 0.12 0.02 . 1 . . . . 62 ILE HG2 . 16186 1 813 . 1 1 62 62 ILE HG23 H 1 0.12 0.02 . 1 . . . . 62 ILE HG2 . 16186 1 814 . 1 1 62 62 ILE CA C 13 57.8 0.2 . 1 . . . . 62 ILE CA . 16186 1 815 . 1 1 62 62 ILE CB C 13 41.7 0.2 . 1 . . . . 62 ILE CB . 16186 1 816 . 1 1 62 62 ILE CD1 C 13 14.6 0.2 . 1 . . . . 62 ILE CD1 . 16186 1 817 . 1 1 62 62 ILE CG1 C 13 25.7 0.2 . 1 . . . . 62 ILE CG1 . 16186 1 818 . 1 1 62 62 ILE CG2 C 13 18.5 0.2 . 1 . . . . 62 ILE CG2 . 16186 1 819 . 1 1 62 62 ILE N N 15 112.0 0.2 . 1 . . . . 62 ILE N . 16186 1 820 . 1 1 64 64 LEU HA H 1 4.96 0.02 . 1 . . . . 64 LEU HA . 16186 1 821 . 1 1 64 64 LEU HB2 H 1 1.47 0.02 . 2 . . . . 64 LEU HB2 . 16186 1 822 . 1 1 64 64 LEU HB3 H 1 1.43 0.02 . 2 . . . . 64 LEU HB3 . 16186 1 823 . 1 1 64 64 LEU HD11 H 1 0.79 0.02 . 2 . . . . 64 LEU HD1 . 16186 1 824 . 1 1 64 64 LEU HD12 H 1 0.79 0.02 . 2 . . . . 64 LEU HD1 . 16186 1 825 . 1 1 64 64 LEU HD13 H 1 0.79 0.02 . 2 . . . . 64 LEU HD1 . 16186 1 826 . 1 1 64 64 LEU HD21 H 1 1.30 0.02 . 2 . . . . 64 LEU HD2 . 16186 1 827 . 1 1 64 64 LEU HD22 H 1 1.30 0.02 . 2 . . . . 64 LEU HD2 . 16186 1 828 . 1 1 64 64 LEU HD23 H 1 1.30 0.02 . 2 . . . . 64 LEU HD2 . 16186 1 829 . 1 1 64 64 LEU HG H 1 1.53 0.02 . 1 . . . . 64 LEU HG . 16186 1 830 . 1 1 64 64 LEU C C 13 173.1 0.2 . 1 . . . . 64 LEU C . 16186 1 831 . 1 1 64 64 LEU CA C 13 53.5 0.2 . 1 . . . . 64 LEU CA . 16186 1 832 . 1 1 64 64 LEU CB C 13 47.0 0.2 . 1 . . . . 64 LEU CB . 16186 1 833 . 1 1 64 64 LEU CD1 C 13 27.4 0.02 . 2 . . . . 64 LEU CD1 . 16186 1 834 . 1 1 64 64 LEU CD2 C 13 24.8 0.02 . 2 . . . . 64 LEU CD2 . 16186 1 835 . 1 1 64 64 LEU CG C 13 26.8 0.2 . 1 . . . . 64 LEU CG . 16186 1 836 . 1 1 65 65 LYS H H 1 8.47 0.02 . 1 . . . . 65 LYS H . 16186 1 837 . 1 1 65 65 LYS HA H 1 3.76 0.02 . 1 . . . . 65 LYS HA . 16186 1 838 . 1 1 65 65 LYS HB2 H 1 1.23 0.02 . 2 . . . . 65 LYS HB2 . 16186 1 839 . 1 1 65 65 LYS HB3 H 1 1.23 0.02 . 2 . . . . 65 LYS HB3 . 16186 1 840 . 1 1 65 65 LYS HD2 H 1 1.17 0.02 . 2 . . . . 65 LYS HD2 . 16186 1 841 . 1 1 65 65 LYS HD3 H 1 1.07 0.02 . 2 . . . . 65 LYS HD3 . 16186 1 842 . 1 1 65 65 LYS HE2 H 1 2.86 0.02 . 2 . . . . 65 LYS HE2 . 16186 1 843 . 1 1 65 65 LYS HE3 H 1 2.75 0.02 . 2 . . . . 65 LYS HE3 . 16186 1 844 . 1 1 65 65 LYS HG2 H 1 0.93 0.02 . 2 . . . . 65 LYS HG2 . 16186 1 845 . 1 1 65 65 LYS HG3 H 1 0.25 0.02 . 2 . . . . 65 LYS HG3 . 16186 1 846 . 1 1 65 65 LYS C C 13 175.1 0.2 . 1 . . . . 65 LYS C . 16186 1 847 . 1 1 65 65 LYS CA C 13 55.7 0.2 . 1 . . . . 65 LYS CA . 16186 1 848 . 1 1 65 65 LYS CB C 13 33.6 0.2 . 1 . . . . 65 LYS CB . 16186 1 849 . 1 1 65 65 LYS CD C 13 30.6 0.2 . 1 . . . . 65 LYS CD . 16186 1 850 . 1 1 65 65 LYS CE C 13 42.4 0.2 . 1 . . . . 65 LYS CE . 16186 1 851 . 1 1 65 65 LYS CG C 13 26.3 0.2 . 1 . . . . 65 LYS CG . 16186 1 852 . 1 1 65 65 LYS N N 15 126.7 0.2 . 1 . . . . 65 LYS N . 16186 1 853 . 1 1 66 66 VAL H H 1 7.84 0.02 . 1 . . . . 66 VAL H . 16186 1 854 . 1 1 66 66 VAL HA H 1 4.41 0.02 . 1 . . . . 66 VAL HA . 16186 1 855 . 1 1 66 66 VAL HB H 1 1.74 0.02 . 1 . . . . 66 VAL HB . 16186 1 856 . 1 1 66 66 VAL HG11 H 1 0.68 0.02 . 2 . . . . 66 VAL HG1 . 16186 1 857 . 1 1 66 66 VAL HG12 H 1 0.68 0.02 . 2 . . . . 66 VAL HG1 . 16186 1 858 . 1 1 66 66 VAL HG13 H 1 0.68 0.02 . 2 . . . . 66 VAL HG1 . 16186 1 859 . 1 1 66 66 VAL HG21 H 1 0.42 0.02 . 2 . . . . 66 VAL HG2 . 16186 1 860 . 1 1 66 66 VAL HG22 H 1 0.42 0.02 . 2 . . . . 66 VAL HG2 . 16186 1 861 . 1 1 66 66 VAL HG23 H 1 0.42 0.02 . 2 . . . . 66 VAL HG2 . 16186 1 862 . 1 1 66 66 VAL C C 13 175.3 0.2 . 1 . . . . 66 VAL C . 16186 1 863 . 1 1 66 66 VAL CA C 13 58.3 0.2 . 1 . . . . 66 VAL CA . 16186 1 864 . 1 1 66 66 VAL CB C 13 36.4 0.2 . 1 . . . . 66 VAL CB . 16186 1 865 . 1 1 66 66 VAL CG1 C 13 21.9 0.02 . 2 . . . . 66 VAL CG1 . 16186 1 866 . 1 1 66 66 VAL CG2 C 13 20.1 0.02 . 2 . . . . 66 VAL CG2 . 16186 1 867 . 1 1 66 66 VAL N N 15 116.0 0.2 . 1 . . . . 66 VAL N . 16186 1 868 . 1 1 67 67 GLN H H 1 8.62 0.02 . 1 . . . . 67 GLN H . 16186 1 869 . 1 1 67 67 GLN HA H 1 4.35 0.02 . 1 . . . . 67 GLN HA . 16186 1 870 . 1 1 67 67 GLN HB2 H 1 2.26 0.02 . 2 . . . . 67 GLN HB2 . 16186 1 871 . 1 1 67 67 GLN HB3 H 1 1.75 0.02 . 2 . . . . 67 GLN HB3 . 16186 1 872 . 1 1 67 67 GLN HE21 H 1 7.82 0.02 . 1 . . . . 67 GLN HE21 . 16186 1 873 . 1 1 67 67 GLN HE22 H 1 6.90 0.02 . 1 . . . . 67 GLN HE22 . 16186 1 874 . 1 1 67 67 GLN HG2 H 1 2.51 0.02 . 2 . . . . 67 GLN HG2 . 16186 1 875 . 1 1 67 67 GLN HG3 H 1 2.51 0.02 . 2 . . . . 67 GLN HG3 . 16186 1 876 . 1 1 67 67 GLN CA C 13 54.9 0.2 . 1 . . . . 67 GLN CA . 16186 1 877 . 1 1 67 67 GLN CB C 13 27.6 0.2 . 1 . . . . 67 GLN CB . 16186 1 878 . 1 1 67 67 GLN CD C 13 180.2 0.2 . 1 . . . . 67 GLN CD . 16186 1 879 . 1 1 67 67 GLN CG C 13 34.1 0.2 . 1 . . . . 67 GLN CG . 16186 1 880 . 1 1 67 67 GLN N N 15 123.0 0.2 . 1 . . . . 67 GLN N . 16186 1 881 . 1 1 67 67 GLN NE2 N 15 112.6 0.2 . 1 . . . . 67 GLN NE2 . 16186 1 882 . 1 1 68 68 PRO HA H 1 4.20 0.02 . 1 . . . . 68 PRO HA . 16186 1 883 . 1 1 68 68 PRO HB2 H 1 1.99 0.02 . 2 . . . . 68 PRO HB2 . 16186 1 884 . 1 1 68 68 PRO HB3 H 1 1.89 0.02 . 2 . . . . 68 PRO HB3 . 16186 1 885 . 1 1 68 68 PRO HD2 H 1 3.91 0.02 . 2 . . . . 68 PRO HD2 . 16186 1 886 . 1 1 68 68 PRO HD3 H 1 3.97 0.02 . 2 . . . . 68 PRO HD3 . 16186 1 887 . 1 1 68 68 PRO HG2 H 1 1.99 0.02 . 2 . . . . 68 PRO HG2 . 16186 1 888 . 1 1 68 68 PRO HG3 H 1 1.99 0.02 . 2 . . . . 68 PRO HG3 . 16186 1 889 . 1 1 68 68 PRO C C 13 179.4 0.2 . 1 . . . . 68 PRO C . 16186 1 890 . 1 1 68 68 PRO CA C 13 65.1 0.2 . 1 . . . . 68 PRO CA . 16186 1 891 . 1 1 68 68 PRO CB C 13 31.7 0.2 . 1 . . . . 68 PRO CB . 16186 1 892 . 1 1 68 68 PRO CD C 13 50.9 0.2 . 1 . . . . 68 PRO CD . 16186 1 893 . 1 1 68 68 PRO CG C 13 28.1 0.2 . 1 . . . . 68 PRO CG . 16186 1 894 . 1 1 69 69 GLU H H 1 9.62 0.02 . 1 . . . . 69 GLU H . 16186 1 895 . 1 1 69 69 GLU HA H 1 4.19 0.02 . 1 . . . . 69 GLU HA . 16186 1 896 . 1 1 69 69 GLU HB2 H 1 2.04 0.02 . 2 . . . . 69 GLU HB2 . 16186 1 897 . 1 1 69 69 GLU HB3 H 1 2.00 0.02 . 2 . . . . 69 GLU HB3 . 16186 1 898 . 1 1 69 69 GLU HG2 H 1 2.33 0.02 . 2 . . . . 69 GLU HG2 . 16186 1 899 . 1 1 69 69 GLU HG3 H 1 2.26 0.02 . 2 . . . . 69 GLU HG3 . 16186 1 900 . 1 1 69 69 GLU C C 13 177.1 0.2 . 1 . . . . 69 GLU C . 16186 1 901 . 1 1 69 69 GLU CA C 13 58.6 0.2 . 1 . . . . 69 GLU CA . 16186 1 902 . 1 1 69 69 GLU CB C 13 28.1 0.2 . 1 . . . . 69 GLU CB . 16186 1 903 . 1 1 69 69 GLU CG C 13 35.9 0.2 . 1 . . . . 69 GLU CG . 16186 1 904 . 1 1 69 69 GLU N N 15 116.9 0.2 . 1 . . . . 69 GLU N . 16186 1 905 . 1 1 70 70 LEU H H 1 7.94 0.02 . 1 . . . . 70 LEU H . 16186 1 906 . 1 1 70 70 LEU HA H 1 4.46 0.02 . 1 . . . . 70 LEU HA . 16186 1 907 . 1 1 70 70 LEU HB2 H 1 1.71 0.02 . 2 . . . . 70 LEU HB2 . 16186 1 908 . 1 1 70 70 LEU HB3 H 1 1.54 0.02 . 2 . . . . 70 LEU HB3 . 16186 1 909 . 1 1 70 70 LEU HD11 H 1 0.90 0.02 . 2 . . . . 70 LEU HD1 . 16186 1 910 . 1 1 70 70 LEU HD12 H 1 0.90 0.02 . 2 . . . . 70 LEU HD1 . 16186 1 911 . 1 1 70 70 LEU HD13 H 1 0.90 0.02 . 2 . . . . 70 LEU HD1 . 16186 1 912 . 1 1 70 70 LEU HD21 H 1 0.78 0.02 . 2 . . . . 70 LEU HD2 . 16186 1 913 . 1 1 70 70 LEU HD22 H 1 0.78 0.02 . 2 . . . . 70 LEU HD2 . 16186 1 914 . 1 1 70 70 LEU HD23 H 1 0.78 0.02 . 2 . . . . 70 LEU HD2 . 16186 1 915 . 1 1 70 70 LEU HG H 1 1.46 0.02 . 1 . . . . 70 LEU HG . 16186 1 916 . 1 1 70 70 LEU C C 13 177.6 0.2 . 1 . . . . 70 LEU C . 16186 1 917 . 1 1 70 70 LEU CA C 13 54.5 0.2 . 1 . . . . 70 LEU CA . 16186 1 918 . 1 1 70 70 LEU CB C 13 42.8 0.2 . 1 . . . . 70 LEU CB . 16186 1 919 . 1 1 70 70 LEU CD1 C 13 25.2 0.02 . 2 . . . . 70 LEU CD1 . 16186 1 920 . 1 1 70 70 LEU CD2 C 13 22.5 0.02 . 2 . . . . 70 LEU CD2 . 16186 1 921 . 1 1 70 70 LEU CG C 13 27.3 0.2 . 1 . . . . 70 LEU CG . 16186 1 922 . 1 1 70 70 LEU N N 15 118.7 0.2 . 1 . . . . 70 LEU N . 16186 1 923 . 1 1 71 71 VAL H H 1 7.08 0.02 . 1 . . . . 71 VAL H . 16186 1 924 . 1 1 71 71 VAL HA H 1 3.21 0.02 . 1 . . . . 71 VAL HA . 16186 1 925 . 1 1 71 71 VAL HB H 1 1.88 0.02 . 1 . . . . 71 VAL HB . 16186 1 926 . 1 1 71 71 VAL HG11 H 1 0.75 0.02 . 2 . . . . 71 VAL HG1 . 16186 1 927 . 1 1 71 71 VAL HG12 H 1 0.75 0.02 . 2 . . . . 71 VAL HG1 . 16186 1 928 . 1 1 71 71 VAL HG13 H 1 0.75 0.02 . 2 . . . . 71 VAL HG1 . 16186 1 929 . 1 1 71 71 VAL HG21 H 1 0.88 0.02 . 2 . . . . 71 VAL HG2 . 16186 1 930 . 1 1 71 71 VAL HG22 H 1 0.88 0.02 . 2 . . . . 71 VAL HG2 . 16186 1 931 . 1 1 71 71 VAL HG23 H 1 0.88 0.02 . 2 . . . . 71 VAL HG2 . 16186 1 932 . 1 1 71 71 VAL C C 13 176.8 0.2 . 1 . . . . 71 VAL C . 16186 1 933 . 1 1 71 71 VAL CA C 13 67.7 0.2 . 1 . . . . 71 VAL CA . 16186 1 934 . 1 1 71 71 VAL CB C 13 32.0 0.2 . 1 . . . . 71 VAL CB . 16186 1 935 . 1 1 71 71 VAL CG1 C 13 23.4 0.02 . 2 . . . . 71 VAL CG1 . 16186 1 936 . 1 1 71 71 VAL CG2 C 13 21.3 0.02 . 2 . . . . 71 VAL CG2 . 16186 1 937 . 1 1 71 71 VAL N N 15 120.3 0.2 . 1 . . . . 71 VAL N . 16186 1 938 . 1 1 72 72 GLY H H 1 8.54 0.02 . 1 . . . . 72 GLY H . 16186 1 939 . 1 1 72 72 GLY HA2 H 1 3.77 0.02 . 2 . . . . 72 GLY HA2 . 16186 1 940 . 1 1 72 72 GLY HA3 H 1 3.63 0.02 . 2 . . . . 72 GLY HA3 . 16186 1 941 . 1 1 72 72 GLY C C 13 176.3 0.2 . 1 . . . . 72 GLY C . 16186 1 942 . 1 1 72 72 GLY CA C 13 47.0 0.2 . 1 . . . . 72 GLY CA . 16186 1 943 . 1 1 72 72 GLY N N 15 105.3 0.2 . 1 . . . . 72 GLY N . 16186 1 944 . 1 1 73 73 SER H H 1 7.87 0.02 . 1 . . . . 73 SER H . 16186 1 945 . 1 1 73 73 SER HA H 1 4.17 0.02 . 1 . . . . 73 SER HA . 16186 1 946 . 1 1 73 73 SER HB2 H 1 3.84 0.02 . 2 . . . . 73 SER HB2 . 16186 1 947 . 1 1 73 73 SER HB3 H 1 3.84 0.02 . 2 . . . . 73 SER HB3 . 16186 1 948 . 1 1 73 73 SER C C 13 178.0 0.2 . 1 . . . . 73 SER C . 16186 1 949 . 1 1 73 73 SER CA C 13 60.6 0.2 . 1 . . . . 73 SER CA . 16186 1 950 . 1 1 73 73 SER CB C 13 62.7 0.2 . 1 . . . . 73 SER CB . 16186 1 951 . 1 1 73 73 SER N N 15 115.7 0.2 . 1 . . . . 73 SER N . 16186 1 952 . 1 1 74 74 LEU H H 1 8.34 0.02 . 1 . . . . 74 LEU H . 16186 1 953 . 1 1 74 74 LEU HA H 1 4.00 0.02 . 1 . . . . 74 LEU HA . 16186 1 954 . 1 1 74 74 LEU HB2 H 1 1.81 0.02 . 2 . . . . 74 LEU HB2 . 16186 1 955 . 1 1 74 74 LEU HB3 H 1 1.32 0.02 . 2 . . . . 74 LEU HB3 . 16186 1 956 . 1 1 74 74 LEU HD11 H 1 0.78 0.02 . 2 . . . . 74 LEU HD1 . 16186 1 957 . 1 1 74 74 LEU HD12 H 1 0.78 0.02 . 2 . . . . 74 LEU HD1 . 16186 1 958 . 1 1 74 74 LEU HD13 H 1 0.78 0.02 . 2 . . . . 74 LEU HD1 . 16186 1 959 . 1 1 74 74 LEU HD21 H 1 0.79 0.02 . 2 . . . . 74 LEU HD2 . 16186 1 960 . 1 1 74 74 LEU HD22 H 1 0.79 0.02 . 2 . . . . 74 LEU HD2 . 16186 1 961 . 1 1 74 74 LEU HD23 H 1 0.79 0.02 . 2 . . . . 74 LEU HD2 . 16186 1 962 . 1 1 74 74 LEU HG H 1 1.77 0.02 . 1 . . . . 74 LEU HG . 16186 1 963 . 1 1 74 74 LEU C C 13 178.4 0.2 . 1 . . . . 74 LEU C . 16186 1 964 . 1 1 74 74 LEU CA C 13 57.9 0.2 . 1 . . . . 74 LEU CA . 16186 1 965 . 1 1 74 74 LEU CB C 13 41.7 0.2 . 1 . . . . 74 LEU CB . 16186 1 966 . 1 1 74 74 LEU CD1 C 13 26.8 0.02 . 2 . . . . 74 LEU CD1 . 16186 1 967 . 1 1 74 74 LEU CD2 C 13 22.8 0.02 . 2 . . . . 74 LEU CD2 . 16186 1 968 . 1 1 74 74 LEU CG C 13 27.0 0.2 . 1 . . . . 74 LEU CG . 16186 1 969 . 1 1 74 74 LEU N N 15 124.6 0.2 . 1 . . . . 74 LEU N . 16186 1 970 . 1 1 75 75 ARG H H 1 7.85 0.02 . 1 . . . . 75 ARG H . 16186 1 971 . 1 1 75 75 ARG HA H 1 3.75 0.02 . 1 . . . . 75 ARG HA . 16186 1 972 . 1 1 75 75 ARG HB2 H 1 1.89 0.02 . 2 . . . . 75 ARG HB2 . 16186 1 973 . 1 1 75 75 ARG HB3 H 1 1.83 0.02 . 2 . . . . 75 ARG HB3 . 16186 1 974 . 1 1 75 75 ARG HD2 H 1 3.11 0.02 . 2 . . . . 75 ARG HD2 . 16186 1 975 . 1 1 75 75 ARG HD3 H 1 3.11 0.02 . 2 . . . . 75 ARG HD3 . 16186 1 976 . 1 1 75 75 ARG HE H 1 7.25 0.02 . 1 . . . . 75 ARG HE . 16186 1 977 . 1 1 75 75 ARG HG2 H 1 1.42 0.02 . 2 . . . . 75 ARG HG2 . 16186 1 978 . 1 1 75 75 ARG HG3 H 1 1.81 0.02 . 2 . . . . 75 ARG HG3 . 16186 1 979 . 1 1 75 75 ARG C C 13 176.5 0.2 . 1 . . . . 75 ARG C . 16186 1 980 . 1 1 75 75 ARG CA C 13 57.8 0.2 . 1 . . . . 75 ARG CA . 16186 1 981 . 1 1 75 75 ARG CB C 13 29.5 0.2 . 1 . . . . 75 ARG CB . 16186 1 982 . 1 1 75 75 ARG CD C 13 43.5 0.2 . 1 . . . . 75 ARG CD . 16186 1 983 . 1 1 75 75 ARG CG C 13 27.9 0.2 . 1 . . . . 75 ARG CG . 16186 1 984 . 1 1 75 75 ARG CZ C 13 159.7 0.2 . 1 . . . . 75 ARG CZ . 16186 1 985 . 1 1 75 75 ARG N N 15 113.3 0.2 . 1 . . . . 75 ARG N . 16186 1 986 . 1 1 75 75 ARG NE N 15 82.9 0.2 . 1 . . . . 75 ARG NE . 16186 1 987 . 1 1 76 76 LYS H H 1 7.10 0.02 . 1 . . . . 76 LYS H . 16186 1 988 . 1 1 76 76 LYS HA H 1 4.21 0.02 . 1 . . . . 76 LYS HA . 16186 1 989 . 1 1 76 76 LYS HB2 H 1 1.98 0.02 . 2 . . . . 76 LYS HB2 . 16186 1 990 . 1 1 76 76 LYS HB3 H 1 1.75 0.02 . 2 . . . . 76 LYS HB3 . 16186 1 991 . 1 1 76 76 LYS HD2 H 1 1.64 0.02 . 2 . . . . 76 LYS HD2 . 16186 1 992 . 1 1 76 76 LYS HD3 H 1 1.64 0.02 . 2 . . . . 76 LYS HD3 . 16186 1 993 . 1 1 76 76 LYS HE2 H 1 2.91 0.02 . 2 . . . . 76 LYS HE2 . 16186 1 994 . 1 1 76 76 LYS HE3 H 1 2.91 0.02 . 2 . . . . 76 LYS HE3 . 16186 1 995 . 1 1 76 76 LYS HG2 H 1 1.41 0.02 . 2 . . . . 76 LYS HG2 . 16186 1 996 . 1 1 76 76 LYS HG3 H 1 1.61 0.02 . 2 . . . . 76 LYS HG3 . 16186 1 997 . 1 1 76 76 LYS C C 13 177.0 0.2 . 1 . . . . 76 LYS C . 16186 1 998 . 1 1 76 76 LYS CA C 13 56.5 0.2 . 1 . . . . 76 LYS CA . 16186 1 999 . 1 1 76 76 LYS CB C 13 32.7 0.2 . 1 . . . . 76 LYS CB . 16186 1 1000 . 1 1 76 76 LYS CD C 13 29.2 0.2 . 1 . . . . 76 LYS CD . 16186 1 1001 . 1 1 76 76 LYS CE C 13 42.0 0.2 . 1 . . . . 76 LYS CE . 16186 1 1002 . 1 1 76 76 LYS CG C 13 25.2 0.2 . 1 . . . . 76 LYS CG . 16186 1 1003 . 1 1 76 76 LYS N N 15 116.6 0.2 . 1 . . . . 76 LYS N . 16186 1 1004 . 1 1 77 77 LYS H H 1 7.83 0.02 . 1 . . . . 77 LYS H . 16186 1 1005 . 1 1 77 77 LYS HA H 1 4.47 0.02 . 1 . . . . 77 LYS HA . 16186 1 1006 . 1 1 77 77 LYS HB2 H 1 1.72 0.02 . 2 . . . . 77 LYS HB2 . 16186 1 1007 . 1 1 77 77 LYS HB3 H 1 1.72 0.02 . 2 . . . . 77 LYS HB3 . 16186 1 1008 . 1 1 77 77 LYS HD2 H 1 1.46 0.02 . 2 . . . . 77 LYS HD2 . 16186 1 1009 . 1 1 77 77 LYS HD3 H 1 1.46 0.02 . 2 . . . . 77 LYS HD3 . 16186 1 1010 . 1 1 77 77 LYS HE2 H 1 3.09 0.02 . 2 . . . . 77 LYS HE2 . 16186 1 1011 . 1 1 77 77 LYS HE3 H 1 3.09 0.02 . 2 . . . . 77 LYS HE3 . 16186 1 1012 . 1 1 77 77 LYS HG2 H 1 1.57 0.02 . 2 . . . . 77 LYS HG2 . 16186 1 1013 . 1 1 77 77 LYS HG3 H 1 1.40 0.02 . 2 . . . . 77 LYS HG3 . 16186 1 1014 . 1 1 77 77 LYS CA C 13 54.5 0.2 . 1 . . . . 77 LYS CA . 16186 1 1015 . 1 1 77 77 LYS CB C 13 31.8 0.2 . 1 . . . . 77 LYS CB . 16186 1 1016 . 1 1 77 77 LYS CD C 13 27.3 0.2 . 1 . . . . 77 LYS CD . 16186 1 1017 . 1 1 77 77 LYS CE C 13 42.5 0.2 . 1 . . . . 77 LYS CE . 16186 1 1018 . 1 1 77 77 LYS CG C 13 25.0 0.2 . 1 . . . . 77 LYS CG . 16186 1 1019 . 1 1 77 77 LYS N N 15 122.9 0.2 . 1 . . . . 77 LYS N . 16186 1 1020 . 1 1 78 78 PRO HA H 1 4.19 0.02 . 1 . . . . 78 PRO HA . 16186 1 1021 . 1 1 78 78 PRO HB2 H 1 2.26 0.02 . 2 . . . . 78 PRO HB2 . 16186 1 1022 . 1 1 78 78 PRO HB3 H 1 1.71 0.02 . 2 . . . . 78 PRO HB3 . 16186 1 1023 . 1 1 78 78 PRO HD2 H 1 3.93 0.02 . 2 . . . . 78 PRO HD2 . 16186 1 1024 . 1 1 78 78 PRO HD3 H 1 3.93 0.02 . 2 . . . . 78 PRO HD3 . 16186 1 1025 . 1 1 78 78 PRO HG2 H 1 2.06 0.02 . 2 . . . . 78 PRO HG2 . 16186 1 1026 . 1 1 78 78 PRO HG3 H 1 2.06 0.02 . 2 . . . . 78 PRO HG3 . 16186 1 1027 . 1 1 78 78 PRO C C 13 176.6 0.2 . 1 . . . . 78 PRO C . 16186 1 1028 . 1 1 78 78 PRO CA C 13 63.7 0.2 . 1 . . . . 78 PRO CA . 16186 1 1029 . 1 1 78 78 PRO CB C 13 31.9 0.2 . 1 . . . . 78 PRO CB . 16186 1 1030 . 1 1 78 78 PRO CD C 13 51.0 0.2 . 1 . . . . 78 PRO CD . 16186 1 1031 . 1 1 78 78 PRO CG C 13 28.1 0.2 . 1 . . . . 78 PRO CG . 16186 1 1032 . 1 1 79 79 GLY H H 1 8.29 0.02 . 1 . . . . 79 GLY H . 16186 1 1033 . 1 1 79 79 GLY HA2 H 1 4.35 0.02 . 2 . . . . 79 GLY HA2 . 16186 1 1034 . 1 1 79 79 GLY HA3 H 1 3.59 0.02 . 2 . . . . 79 GLY HA3 . 16186 1 1035 . 1 1 79 79 GLY C C 13 172.0 0.2 . 1 . . . . 79 GLY C . 16186 1 1036 . 1 1 79 79 GLY CA C 13 45.5 0.2 . 1 . . . . 79 GLY CA . 16186 1 1037 . 1 1 79 79 GLY N N 15 109.3 0.2 . 1 . . . . 79 GLY N . 16186 1 1038 . 1 1 80 80 ILE H H 1 7.30 0.02 . 1 . . . . 80 ILE H . 16186 1 1039 . 1 1 80 80 ILE HA H 1 4.77 0.02 . 1 . . . . 80 ILE HA . 16186 1 1040 . 1 1 80 80 ILE HB H 1 2.03 0.02 . 1 . . . . 80 ILE HB . 16186 1 1041 . 1 1 80 80 ILE HD11 H 1 0.76 0.02 . 1 . . . . 80 ILE HD1 . 16186 1 1042 . 1 1 80 80 ILE HD12 H 1 0.76 0.02 . 1 . . . . 80 ILE HD1 . 16186 1 1043 . 1 1 80 80 ILE HD13 H 1 0.76 0.02 . 1 . . . . 80 ILE HD1 . 16186 1 1044 . 1 1 80 80 ILE HG12 H 1 1.49 0.02 . 2 . . . . 80 ILE HG12 . 16186 1 1045 . 1 1 80 80 ILE HG13 H 1 1.49 0.02 . 2 . . . . 80 ILE HG13 . 16186 1 1046 . 1 1 80 80 ILE HG21 H 1 0.68 0.02 . 1 . . . . 80 ILE HG2 . 16186 1 1047 . 1 1 80 80 ILE HG22 H 1 0.68 0.02 . 1 . . . . 80 ILE HG2 . 16186 1 1048 . 1 1 80 80 ILE HG23 H 1 0.68 0.02 . 1 . . . . 80 ILE HG2 . 16186 1 1049 . 1 1 80 80 ILE C C 13 174.2 0.2 . 1 . . . . 80 ILE C . 16186 1 1050 . 1 1 80 80 ILE CA C 13 60.5 0.2 . 1 . . . . 80 ILE CA . 16186 1 1051 . 1 1 80 80 ILE CB C 13 37.0 0.2 . 1 . . . . 80 ILE CB . 16186 1 1052 . 1 1 80 80 ILE CD1 C 13 13.2 0.2 . 1 . . . . 80 ILE CD1 . 16186 1 1053 . 1 1 80 80 ILE CG1 C 13 27.9 0.2 . 1 . . . . 80 ILE CG1 . 16186 1 1054 . 1 1 80 80 ILE CG2 C 13 18.8 0.2 . 1 . . . . 80 ILE CG2 . 16186 1 1055 . 1 1 80 80 ILE N N 15 119.2 0.2 . 1 . . . . 80 ILE N . 16186 1 1056 . 1 1 81 81 TYR H H 1 9.49 0.02 . 1 . . . . 81 TYR H . 16186 1 1057 . 1 1 81 81 TYR HA H 1 4.84 0.02 . 1 . . . . 81 TYR HA . 16186 1 1058 . 1 1 81 81 TYR HB2 H 1 3.19 0.02 . 2 . . . . 81 TYR HB2 . 16186 1 1059 . 1 1 81 81 TYR HB3 H 1 2.26 0.02 . 2 . . . . 81 TYR HB3 . 16186 1 1060 . 1 1 81 81 TYR HD1 H 1 7.05 0.02 . 3 . . . . 81 TYR HD1 . 16186 1 1061 . 1 1 81 81 TYR HD2 H 1 7.05 0.02 . 3 . . . . 81 TYR HD2 . 16186 1 1062 . 1 1 81 81 TYR HE1 H 1 6.67 0.02 . 3 . . . . 81 TYR HE1 . 16186 1 1063 . 1 1 81 81 TYR HE2 H 1 6.67 0.02 . 3 . . . . 81 TYR HE2 . 16186 1 1064 . 1 1 81 81 TYR CA C 13 56.8 0.2 . 1 . . . . 81 TYR CA . 16186 1 1065 . 1 1 81 81 TYR CB C 13 39.8 0.2 . 1 . . . . 81 TYR CB . 16186 1 1066 . 1 1 81 81 TYR CD1 C 13 133.2 0.02 . 3 . . . . 81 TYR CD1 . 16186 1 1067 . 1 1 81 81 TYR CD2 C 13 133.2 0.02 . 3 . . . . 81 TYR CD2 . 16186 1 1068 . 1 1 81 81 TYR CE1 C 13 118.0 0.02 . 3 . . . . 81 TYR CE1 . 16186 1 1069 . 1 1 81 81 TYR CE2 C 13 118.0 0.02 . 3 . . . . 81 TYR CE2 . 16186 1 1070 . 1 1 81 81 TYR N N 15 126.1 0.2 . 1 . . . . 81 TYR N . 16186 1 1071 . 1 1 82 82 PRO HA H 1 4.61 0.02 . 1 . . . . 82 PRO HA . 16186 1 1072 . 1 1 82 82 PRO HB2 H 1 2.31 0.02 . 2 . . . . 82 PRO HB2 . 16186 1 1073 . 1 1 82 82 PRO HB3 H 1 1.92 0.02 . 2 . . . . 82 PRO HB3 . 16186 1 1074 . 1 1 82 82 PRO HD2 H 1 3.98 0.02 . 2 . . . . 82 PRO HD2 . 16186 1 1075 . 1 1 82 82 PRO HD3 H 1 3.90 0.02 . 2 . . . . 82 PRO HD3 . 16186 1 1076 . 1 1 82 82 PRO HG2 H 1 1.97 0.02 . 2 . . . . 82 PRO HG2 . 16186 1 1077 . 1 1 82 82 PRO HG3 H 1 2.25 0.02 . 2 . . . . 82 PRO HG3 . 16186 1 1078 . 1 1 82 82 PRO CA C 13 62.3 0.2 . 1 . . . . 82 PRO CA . 16186 1 1079 . 1 1 82 82 PRO CB C 13 32.0 0.2 . 1 . . . . 82 PRO CB . 16186 1 1080 . 1 1 82 82 PRO CD C 13 51.1 0.2 . 1 . . . . 82 PRO CD . 16186 1 1081 . 1 1 82 82 PRO CG C 13 28.3 0.2 . 1 . . . . 82 PRO CG . 16186 1 1082 . 1 1 83 83 ALA HA H 1 4.14 0.02 . 1 . . . . 83 ALA HA . 16186 1 1083 . 1 1 83 83 ALA HB1 H 1 1.32 0.02 . 1 . . . . 83 ALA HB . 16186 1 1084 . 1 1 83 83 ALA HB2 H 1 1.32 0.02 . 1 . . . . 83 ALA HB . 16186 1 1085 . 1 1 83 83 ALA HB3 H 1 1.32 0.02 . 1 . . . . 83 ALA HB . 16186 1 1086 . 1 1 84 84 TYR HA H 1 4.47 0.02 . 1 . . . . 84 TYR HA . 16186 1 1087 . 1 1 84 84 TYR HB2 H 1 2.65 0.02 . 2 . . . . 84 TYR HB2 . 16186 1 1088 . 1 1 84 84 TYR HB3 H 1 2.47 0.02 . 2 . . . . 84 TYR HB3 . 16186 1 1089 . 1 1 84 84 TYR HD1 H 1 6.84 0.02 . 3 . . . . 84 TYR HD1 . 16186 1 1090 . 1 1 84 84 TYR HD2 H 1 6.84 0.02 . 3 . . . . 84 TYR HD2 . 16186 1 1091 . 1 1 84 84 TYR HE1 H 1 6.51 0.02 . 3 . . . . 84 TYR HE1 . 16186 1 1092 . 1 1 84 84 TYR HE2 H 1 6.51 0.02 . 3 . . . . 84 TYR HE2 . 16186 1 1093 . 1 1 84 84 TYR CA C 13 57.5 0.2 . 1 . . . . 84 TYR CA . 16186 1 1094 . 1 1 84 84 TYR CB C 13 39.5 0.2 . 1 . . . . 84 TYR CB . 16186 1 1095 . 1 1 84 84 TYR CD1 C 13 133.1 0.02 . 3 . . . . 84 TYR CD1 . 16186 1 1096 . 1 1 84 84 TYR CD2 C 13 133.1 0.02 . 3 . . . . 84 TYR CD2 . 16186 1 1097 . 1 1 84 84 TYR CE1 C 13 117.9 0.02 . 3 . . . . 84 TYR CE1 . 16186 1 1098 . 1 1 84 84 TYR CE2 C 13 117.9 0.02 . 3 . . . . 84 TYR CE2 . 16186 1 1099 . 1 1 87 87 ASN HA H 1 4.41 0.02 . 1 . . . . 87 ASN HA . 16186 1 1100 . 1 1 87 87 ASN HB2 H 1 3.01 0.02 . 2 . . . . 87 ASN HB2 . 16186 1 1101 . 1 1 87 87 ASN HB3 H 1 2.86 0.02 . 2 . . . . 87 ASN HB3 . 16186 1 1102 . 1 1 87 87 ASN HD21 H 1 7.89 0.02 . 1 . . . . 87 ASN HD21 . 16186 1 1103 . 1 1 87 87 ASN HD22 H 1 7.52 0.02 . 1 . . . . 87 ASN HD22 . 16186 1 1104 . 1 1 87 87 ASN C C 13 176.5 0.2 . 1 . . . . 87 ASN C . 16186 1 1105 . 1 1 87 87 ASN CA C 13 55.1 0.2 . 1 . . . . 87 ASN CA . 16186 1 1106 . 1 1 87 87 ASN CB C 13 40.6 0.2 . 1 . . . . 87 ASN CB . 16186 1 1107 . 1 1 87 87 ASN CG C 13 176.7 0.2 . 1 . . . . 87 ASN CG . 16186 1 1108 . 1 1 87 87 ASN ND2 N 15 115.7 0.2 . 1 . . . . 87 ASN ND2 . 16186 1 1109 . 1 1 88 88 LYS H H 1 8.71 0.02 . 1 . . . . 88 LYS H . 16186 1 1110 . 1 1 88 88 LYS HA H 1 4.32 0.02 . 1 . . . . 88 LYS HA . 16186 1 1111 . 1 1 88 88 LYS HB2 H 1 2.00 0.02 . 2 . . . . 88 LYS HB2 . 16186 1 1112 . 1 1 88 88 LYS HB3 H 1 1.91 0.02 . 2 . . . . 88 LYS HB3 . 16186 1 1113 . 1 1 88 88 LYS HD2 H 1 1.62 0.02 . 2 . . . . 88 LYS HD2 . 16186 1 1114 . 1 1 88 88 LYS HD3 H 1 1.65 0.02 . 2 . . . . 88 LYS HD3 . 16186 1 1115 . 1 1 88 88 LYS HE2 H 1 3.07 0.02 . 2 . . . . 88 LYS HE2 . 16186 1 1116 . 1 1 88 88 LYS HE3 H 1 3.07 0.02 . 2 . . . . 88 LYS HE3 . 16186 1 1117 . 1 1 88 88 LYS HG2 H 1 1.63 0.02 . 2 . . . . 88 LYS HG2 . 16186 1 1118 . 1 1 88 88 LYS HG3 H 1 1.40 0.02 . 2 . . . . 88 LYS HG3 . 16186 1 1119 . 1 1 88 88 LYS C C 13 177.6 0.2 . 1 . . . . 88 LYS C . 16186 1 1120 . 1 1 88 88 LYS CA C 13 58.1 0.2 . 1 . . . . 88 LYS CA . 16186 1 1121 . 1 1 88 88 LYS CB C 13 33.0 0.2 . 1 . . . . 88 LYS CB . 16186 1 1122 . 1 1 88 88 LYS CD C 13 29.2 0.2 . 1 . . . . 88 LYS CD . 16186 1 1123 . 1 1 88 88 LYS CE C 13 42.4 0.2 . 1 . . . . 88 LYS CE . 16186 1 1124 . 1 1 88 88 LYS CG C 13 25.6 0.2 . 1 . . . . 88 LYS CG . 16186 1 1125 . 1 1 88 88 LYS N N 15 123.8 0.2 . 1 . . . . 88 LYS N . 16186 1 1126 . 1 1 89 89 GLU H H 1 8.39 0.02 . 1 . . . . 89 GLU H . 16186 1 1127 . 1 1 89 89 GLU HA H 1 4.27 0.02 . 1 . . . . 89 GLU HA . 16186 1 1128 . 1 1 89 89 GLU HB2 H 1 2.10 0.02 . 2 . . . . 89 GLU HB2 . 16186 1 1129 . 1 1 89 89 GLU HB3 H 1 2.10 0.02 . 2 . . . . 89 GLU HB3 . 16186 1 1130 . 1 1 89 89 GLU HG2 H 1 2.24 0.02 . 2 . . . . 89 GLU HG2 . 16186 1 1131 . 1 1 89 89 GLU HG3 H 1 2.24 0.02 . 2 . . . . 89 GLU HG3 . 16186 1 1132 . 1 1 89 89 GLU C C 13 176.5 0.2 . 1 . . . . 89 GLU C . 16186 1 1133 . 1 1 89 89 GLU CA C 13 57.8 0.2 . 1 . . . . 89 GLU CA . 16186 1 1134 . 1 1 89 89 GLU CB C 13 30.1 0.2 . 1 . . . . 89 GLU CB . 16186 1 1135 . 1 1 89 89 GLU CG C 13 37.4 0.2 . 1 . . . . 89 GLU CG . 16186 1 1136 . 1 1 89 89 GLU N N 15 117.0 0.2 . 1 . . . . 89 GLU N . 16186 1 1137 . 1 1 90 90 HIS H H 1 7.60 0.02 . 1 . . . . 90 HIS H . 16186 1 1138 . 1 1 90 90 HIS HA H 1 4.58 0.02 . 1 . . . . 90 HIS HA . 16186 1 1139 . 1 1 90 90 HIS HB2 H 1 3.34 0.02 . 2 . . . . 90 HIS HB2 . 16186 1 1140 . 1 1 90 90 HIS HB3 H 1 3.01 0.02 . 2 . . . . 90 HIS HB3 . 16186 1 1141 . 1 1 90 90 HIS HD1 H 1 7.35 0.02 . 1 . . . . 90 HIS HD1 . 16186 1 1142 . 1 1 90 90 HIS C C 13 170.8 0.2 . 1 . . . . 90 HIS C . 16186 1 1143 . 1 1 90 90 HIS CA C 13 55.5 0.2 . 1 . . . . 90 HIS CA . 16186 1 1144 . 1 1 90 90 HIS CB C 13 32.2 0.2 . 1 . . . . 90 HIS CB . 16186 1 1145 . 1 1 90 90 HIS N N 15 111.5 0.2 . 1 . . . . 90 HIS N . 16186 1 1146 . 1 1 91 91 TRP H H 1 7.65 0.02 . 1 . . . . 91 TRP H . 16186 1 1147 . 1 1 91 91 TRP HA H 1 5.61 0.02 . 1 . . . . 91 TRP HA . 16186 1 1148 . 1 1 91 91 TRP HB2 H 1 2.92 0.02 . 2 . . . . 91 TRP HB2 . 16186 1 1149 . 1 1 91 91 TRP HB3 H 1 2.88 0.02 . 2 . . . . 91 TRP HB3 . 16186 1 1150 . 1 1 91 91 TRP HD1 H 1 7.47 0.02 . 1 . . . . 91 TRP HD1 . 16186 1 1151 . 1 1 91 91 TRP HE1 H 1 10.31 0.02 . 1 . . . . 91 TRP HE1 . 16186 1 1152 . 1 1 91 91 TRP HE3 H 1 7.31 0.02 . 1 . . . . 91 TRP HE3 . 16186 1 1153 . 1 1 91 91 TRP HH2 H 1 6.97 0.02 . 1 . . . . 91 TRP HH2 . 16186 1 1154 . 1 1 91 91 TRP HZ2 H 1 7.48 0.02 . 1 . . . . 91 TRP HZ2 . 16186 1 1155 . 1 1 91 91 TRP HZ3 H 1 6.86 0.02 . 1 . . . . 91 TRP HZ3 . 16186 1 1156 . 1 1 91 91 TRP C C 13 174.6 0.2 . 1 . . . . 91 TRP C . 16186 1 1157 . 1 1 91 91 TRP CA C 13 55.5 0.2 . 1 . . . . 91 TRP CA . 16186 1 1158 . 1 1 91 91 TRP CB C 13 31.7 0.2 . 1 . . . . 91 TRP CB . 16186 1 1159 . 1 1 91 91 TRP CD1 C 13 127.0 0.2 . 1 . . . . 91 TRP CD1 . 16186 1 1160 . 1 1 91 91 TRP CH2 C 13 123.7 0.2 . 1 . . . . 91 TRP CH2 . 16186 1 1161 . 1 1 91 91 TRP CZ2 C 13 115.0 0.2 . 1 . . . . 91 TRP CZ2 . 16186 1 1162 . 1 1 91 91 TRP CZ3 C 13 120.9 0.2 . 1 . . . . 91 TRP CZ3 . 16186 1 1163 . 1 1 91 91 TRP N N 15 117.4 0.2 . 1 . . . . 91 TRP N . 16186 1 1164 . 1 1 91 91 TRP NE1 N 15 129.6 0.2 . 1 . . . . 91 TRP NE1 . 16186 1 1165 . 1 1 92 92 ILE H H 1 9.10 0.02 . 1 . . . . 92 ILE H . 16186 1 1166 . 1 1 92 92 ILE HA H 1 4.63 0.02 . 1 . . . . 92 ILE HA . 16186 1 1167 . 1 1 92 92 ILE HB H 1 1.95 0.02 . 1 . . . . 92 ILE HB . 16186 1 1168 . 1 1 92 92 ILE HD11 H 1 0.76 0.02 . 1 . . . . 92 ILE HD1 . 16186 1 1169 . 1 1 92 92 ILE HD12 H 1 0.76 0.02 . 1 . . . . 92 ILE HD1 . 16186 1 1170 . 1 1 92 92 ILE HD13 H 1 0.76 0.02 . 1 . . . . 92 ILE HD1 . 16186 1 1171 . 1 1 92 92 ILE HG12 H 1 1.17 0.02 . 2 . . . . 92 ILE HG12 . 16186 1 1172 . 1 1 92 92 ILE HG13 H 1 1.10 0.02 . 2 . . . . 92 ILE HG13 . 16186 1 1173 . 1 1 92 92 ILE HG21 H 1 0.82 0.02 . 1 . . . . 92 ILE HG2 . 16186 1 1174 . 1 1 92 92 ILE HG22 H 1 0.82 0.02 . 1 . . . . 92 ILE HG2 . 16186 1 1175 . 1 1 92 92 ILE HG23 H 1 0.82 0.02 . 1 . . . . 92 ILE HG2 . 16186 1 1176 . 1 1 92 92 ILE C C 13 174.5 0.2 . 1 . . . . 92 ILE C . 16186 1 1177 . 1 1 92 92 ILE CA C 13 59.8 0.2 . 1 . . . . 92 ILE CA . 16186 1 1178 . 1 1 92 92 ILE CB C 13 42.5 0.2 . 1 . . . . 92 ILE CB . 16186 1 1179 . 1 1 92 92 ILE CD1 C 13 14.8 0.2 . 1 . . . . 92 ILE CD1 . 16186 1 1180 . 1 1 92 92 ILE CG1 C 13 25.3 0.2 . 1 . . . . 92 ILE CG1 . 16186 1 1181 . 1 1 92 92 ILE CG2 C 13 19.3 0.2 . 1 . . . . 92 ILE CG2 . 16186 1 1182 . 1 1 92 92 ILE N N 15 111.7 0.2 . 1 . . . . 92 ILE N . 16186 1 1183 . 1 1 93 93 THR H H 1 8.57 0.02 . 1 . . . . 93 THR H . 16186 1 1184 . 1 1 93 93 THR HA H 1 4.25 0.02 . 1 . . . . 93 THR HA . 16186 1 1185 . 1 1 93 93 THR HB H 1 3.83 0.02 . 1 . . . . 93 THR HB . 16186 1 1186 . 1 1 93 93 THR HG1 H 1 4.80 0.02 . 1 . . . . 93 THR HG1 . 16186 1 1187 . 1 1 93 93 THR HG21 H 1 1.14 0.02 . 1 . . . . 93 THR HG2 . 16186 1 1188 . 1 1 93 93 THR HG22 H 1 1.14 0.02 . 1 . . . . 93 THR HG2 . 16186 1 1189 . 1 1 93 93 THR HG23 H 1 1.14 0.02 . 1 . . . . 93 THR HG2 . 16186 1 1190 . 1 1 93 93 THR CA C 13 61.8 0.2 . 1 . . . . 93 THR CA . 16186 1 1191 . 1 1 93 93 THR CB C 13 70.2 0.2 . 1 . . . . 93 THR CB . 16186 1 1192 . 1 1 93 93 THR CG2 C 13 21.6 0.2 . 1 . . . . 93 THR CG2 . 16186 1 1193 . 1 1 93 93 THR N N 15 117.6 0.2 . 1 . . . . 93 THR N . 16186 1 1194 . 1 1 94 94 VAL HA H 1 4.68 0.02 . 1 . . . . 94 VAL HA . 16186 1 1195 . 1 1 94 94 VAL HB H 1 2.01 0.02 . 1 . . . . 94 VAL HB . 16186 1 1196 . 1 1 94 94 VAL HG11 H 1 0.78 0.02 . 2 . . . . 94 VAL HG1 . 16186 1 1197 . 1 1 94 94 VAL HG12 H 1 0.78 0.02 . 2 . . . . 94 VAL HG1 . 16186 1 1198 . 1 1 94 94 VAL HG13 H 1 0.78 0.02 . 2 . . . . 94 VAL HG1 . 16186 1 1199 . 1 1 94 94 VAL HG21 H 1 0.87 0.02 . 2 . . . . 94 VAL HG2 . 16186 1 1200 . 1 1 94 94 VAL HG22 H 1 0.87 0.02 . 2 . . . . 94 VAL HG2 . 16186 1 1201 . 1 1 94 94 VAL HG23 H 1 0.87 0.02 . 2 . . . . 94 VAL HG2 . 16186 1 1202 . 1 1 94 94 VAL C C 13 175.4 0.2 . 1 . . . . 94 VAL C . 16186 1 1203 . 1 1 94 94 VAL CA C 13 60.7 0.2 . 1 . . . . 94 VAL CA . 16186 1 1204 . 1 1 94 94 VAL CB C 13 34.1 0.2 . 1 . . . . 94 VAL CB . 16186 1 1205 . 1 1 94 94 VAL CG1 C 13 21.5 0.02 . 2 . . . . 94 VAL CG1 . 16186 1 1206 . 1 1 94 94 VAL CG2 C 13 21.1 0.02 . 2 . . . . 94 VAL CG2 . 16186 1 1207 . 1 1 95 95 LEU H H 1 8.08 0.02 . 1 . . . . 95 LEU H . 16186 1 1208 . 1 1 95 95 LEU HA H 1 4.33 0.02 . 1 . . . . 95 LEU HA . 16186 1 1209 . 1 1 95 95 LEU HB2 H 1 2.04 0.02 . 2 . . . . 95 LEU HB2 . 16186 1 1210 . 1 1 95 95 LEU HB3 H 1 1.41 0.02 . 2 . . . . 95 LEU HB3 . 16186 1 1211 . 1 1 95 95 LEU HD11 H 1 0.84 0.02 . 2 . . . . 95 LEU HD1 . 16186 1 1212 . 1 1 95 95 LEU HD12 H 1 0.84 0.02 . 2 . . . . 95 LEU HD1 . 16186 1 1213 . 1 1 95 95 LEU HD13 H 1 0.84 0.02 . 2 . . . . 95 LEU HD1 . 16186 1 1214 . 1 1 95 95 LEU HD21 H 1 0.93 0.02 . 2 . . . . 95 LEU HD2 . 16186 1 1215 . 1 1 95 95 LEU HD22 H 1 0.93 0.02 . 2 . . . . 95 LEU HD2 . 16186 1 1216 . 1 1 95 95 LEU HD23 H 1 0.93 0.02 . 2 . . . . 95 LEU HD2 . 16186 1 1217 . 1 1 95 95 LEU HG H 1 1.56 0.02 . 1 . . . . 95 LEU HG . 16186 1 1218 . 1 1 95 95 LEU C C 13 176.4 0.2 . 1 . . . . 95 LEU C . 16186 1 1219 . 1 1 95 95 LEU CA C 13 55.0 0.2 . 1 . . . . 95 LEU CA . 16186 1 1220 . 1 1 95 95 LEU CB C 13 44.3 0.2 . 1 . . . . 95 LEU CB . 16186 1 1221 . 1 1 95 95 LEU CD1 C 13 24.2 0.02 . 2 . . . . 95 LEU CD1 . 16186 1 1222 . 1 1 95 95 LEU CD2 C 13 26.2 0.02 . 2 . . . . 95 LEU CD2 . 16186 1 1223 . 1 1 95 95 LEU CG C 13 26.8 0.2 . 1 . . . . 95 LEU CG . 16186 1 1224 . 1 1 95 95 LEU N N 15 127.5 0.2 . 1 . . . . 95 LEU N . 16186 1 1225 . 1 1 96 96 LEU H H 1 8.05 0.02 . 1 . . . . 96 LEU H . 16186 1 1226 . 1 1 96 96 LEU HA H 1 4.15 0.02 . 1 . . . . 96 LEU HA . 16186 1 1227 . 1 1 96 96 LEU HB2 H 1 1.49 0.02 . 2 . . . . 96 LEU HB2 . 16186 1 1228 . 1 1 96 96 LEU HB3 H 1 1.58 0.02 . 2 . . . . 96 LEU HB3 . 16186 1 1229 . 1 1 96 96 LEU HD11 H 1 0.49 0.02 . 2 . . . . 96 LEU HD1 . 16186 1 1230 . 1 1 96 96 LEU HD12 H 1 0.49 0.02 . 2 . . . . 96 LEU HD1 . 16186 1 1231 . 1 1 96 96 LEU HD13 H 1 0.49 0.02 . 2 . . . . 96 LEU HD1 . 16186 1 1232 . 1 1 96 96 LEU HD21 H 1 0.58 0.02 . 2 . . . . 96 LEU HD2 . 16186 1 1233 . 1 1 96 96 LEU HD22 H 1 0.58 0.02 . 2 . . . . 96 LEU HD2 . 16186 1 1234 . 1 1 96 96 LEU HD23 H 1 0.58 0.02 . 2 . . . . 96 LEU HD2 . 16186 1 1235 . 1 1 96 96 LEU HG H 1 1.36 0.02 . 1 . . . . 96 LEU HG . 16186 1 1236 . 1 1 96 96 LEU C C 13 177.4 0.2 . 1 . . . . 96 LEU C . 16186 1 1237 . 1 1 96 96 LEU CA C 13 56.5 0.2 . 1 . . . . 96 LEU CA . 16186 1 1238 . 1 1 96 96 LEU CB C 13 40.5 0.2 . 1 . . . . 96 LEU CB . 16186 1 1239 . 1 1 96 96 LEU CD1 C 13 25.4 0.02 . 2 . . . . 96 LEU CD1 . 16186 1 1240 . 1 1 96 96 LEU CD2 C 13 22.6 0.02 . 2 . . . . 96 LEU CD2 . 16186 1 1241 . 1 1 96 96 LEU CG C 13 27.0 0.2 . 1 . . . . 96 LEU CG . 16186 1 1242 . 1 1 96 96 LEU N N 15 128.1 0.2 . 1 . . . . 96 LEU N . 16186 1 1243 . 1 1 97 97 ASN H H 1 8.69 0.02 . 1 . . . . 97 ASN H . 16186 1 1244 . 1 1 97 97 ASN HA H 1 4.74 0.02 . 1 . . . . 97 ASN HA . 16186 1 1245 . 1 1 97 97 ASN HB2 H 1 2.94 0.02 . 2 . . . . 97 ASN HB2 . 16186 1 1246 . 1 1 97 97 ASN HB3 H 1 2.90 0.02 . 2 . . . . 97 ASN HB3 . 16186 1 1247 . 1 1 97 97 ASN HD21 H 1 7.68 0.02 . 1 . . . . 97 ASN HD21 . 16186 1 1248 . 1 1 97 97 ASN HD22 H 1 7.13 0.02 . 1 . . . . 97 ASN HD22 . 16186 1 1249 . 1 1 97 97 ASN C C 13 174.9 0.2 . 1 . . . . 97 ASN C . 16186 1 1250 . 1 1 97 97 ASN CA C 13 53.0 0.2 . 1 . . . . 97 ASN CA . 16186 1 1251 . 1 1 97 97 ASN CB C 13 37.7 0.2 . 1 . . . . 97 ASN CB . 16186 1 1252 . 1 1 97 97 ASN N N 15 117.2 0.2 . 1 . . . . 97 ASN N . 16186 1 1253 . 1 1 97 97 ASN ND2 N 15 113.6 0.2 . 1 . . . . 97 ASN ND2 . 16186 1 1254 . 1 1 98 98 GLY H H 1 7.82 0.02 . 1 . . . . 98 GLY H . 16186 1 1255 . 1 1 98 98 GLY HA2 H 1 4.47 0.02 . 2 . . . . 98 GLY HA2 . 16186 1 1256 . 1 1 98 98 GLY HA3 H 1 3.74 0.02 . 2 . . . . 98 GLY HA3 . 16186 1 1257 . 1 1 98 98 GLY C C 13 174.9 0.2 . 1 . . . . 98 GLY C . 16186 1 1258 . 1 1 98 98 GLY CA C 13 44.9 0.2 . 1 . . . . 98 GLY CA . 16186 1 1259 . 1 1 98 98 GLY N N 15 108.6 0.2 . 1 . . . . 98 GLY N . 16186 1 1260 . 1 1 99 99 PRO HA H 1 4.38 0.02 . 1 . . . . 99 PRO HA . 16186 1 1261 . 1 1 99 99 PRO HB2 H 1 2.24 0.02 . 2 . . . . 99 PRO HB2 . 16186 1 1262 . 1 1 99 99 PRO HB3 H 1 1.86 0.02 . 2 . . . . 99 PRO HB3 . 16186 1 1263 . 1 1 99 99 PRO HD2 H 1 3.69 0.02 . 2 . . . . 99 PRO HD2 . 16186 1 1264 . 1 1 99 99 PRO HD3 H 1 3.69 0.02 . 2 . . . . 99 PRO HD3 . 16186 1 1265 . 1 1 99 99 PRO HG2 H 1 1.94 0.02 . 2 . . . . 99 PRO HG2 . 16186 1 1266 . 1 1 99 99 PRO HG3 H 1 1.94 0.02 . 2 . . . . 99 PRO HG3 . 16186 1 1267 . 1 1 99 99 PRO C C 13 177.4 0.2 . 1 . . . . 99 PRO C . 16186 1 1268 . 1 1 99 99 PRO CA C 13 63.9 0.2 . 1 . . . . 99 PRO CA . 16186 1 1269 . 1 1 99 99 PRO CB C 13 32.4 0.2 . 1 . . . . 99 PRO CB . 16186 1 1270 . 1 1 99 99 PRO CD C 13 50.0 0.2 . 1 . . . . 99 PRO CD . 16186 1 1271 . 1 1 99 99 PRO CG C 13 26.9 0.2 . 1 . . . . 99 PRO CG . 16186 1 1272 . 1 1 100 100 LEU H H 1 7.75 0.02 . 1 . . . . 100 LEU H . 16186 1 1273 . 1 1 100 100 LEU HA H 1 4.28 0.02 . 1 . . . . 100 LEU HA . 16186 1 1274 . 1 1 100 100 LEU HB2 H 1 1.45 0.02 . 2 . . . . 100 LEU HB2 . 16186 1 1275 . 1 1 100 100 LEU HB3 H 1 1.70 0.02 . 2 . . . . 100 LEU HB3 . 16186 1 1276 . 1 1 100 100 LEU HD11 H 1 0.76 0.02 . 2 . . . . 100 LEU HD1 . 16186 1 1277 . 1 1 100 100 LEU HD12 H 1 0.76 0.02 . 2 . . . . 100 LEU HD1 . 16186 1 1278 . 1 1 100 100 LEU HD13 H 1 0.76 0.02 . 2 . . . . 100 LEU HD1 . 16186 1 1279 . 1 1 100 100 LEU HD21 H 1 0.85 0.02 . 2 . . . . 100 LEU HD2 . 16186 1 1280 . 1 1 100 100 LEU HD22 H 1 0.85 0.02 . 2 . . . . 100 LEU HD2 . 16186 1 1281 . 1 1 100 100 LEU HD23 H 1 0.85 0.02 . 2 . . . . 100 LEU HD2 . 16186 1 1282 . 1 1 100 100 LEU HG H 1 1.72 0.02 . 1 . . . . 100 LEU HG . 16186 1 1283 . 1 1 100 100 LEU C C 13 177.4 0.2 . 1 . . . . 100 LEU C . 16186 1 1284 . 1 1 100 100 LEU CA C 13 55.8 0.2 . 1 . . . . 100 LEU CA . 16186 1 1285 . 1 1 100 100 LEU CB C 13 42.6 0.2 . 1 . . . . 100 LEU CB . 16186 1 1286 . 1 1 100 100 LEU CD1 C 13 25.3 0.02 . 2 . . . . 100 LEU CD1 . 16186 1 1287 . 1 1 100 100 LEU CD2 C 13 25.1 0.02 . 2 . . . . 100 LEU CD2 . 16186 1 1288 . 1 1 100 100 LEU CG C 13 27.7 0.2 . 1 . . . . 100 LEU CG . 16186 1 1289 . 1 1 100 100 LEU N N 15 120.3 0.2 . 1 . . . . 100 LEU N . 16186 1 1290 . 1 1 101 101 GLY H H 1 8.62 0.02 . 1 . . . . 101 GLY H . 16186 1 1291 . 1 1 101 101 GLY HA2 H 1 4.11 0.02 . 2 . . . . 101 GLY HA2 . 16186 1 1292 . 1 1 101 101 GLY HA3 H 1 3.89 0.02 . 2 . . . . 101 GLY HA3 . 16186 1 1293 . 1 1 101 101 GLY C C 13 173.6 0.2 . 1 . . . . 101 GLY C . 16186 1 1294 . 1 1 101 101 GLY CA C 13 44.3 0.2 . 1 . . . . 101 GLY CA . 16186 1 1295 . 1 1 101 101 GLY N N 15 110.6 0.2 . 1 . . . . 101 GLY N . 16186 1 1296 . 1 1 102 102 ALA H H 1 8.31 0.02 . 1 . . . . 102 ALA H . 16186 1 1297 . 1 1 102 102 ALA HA H 1 3.52 0.02 . 1 . . . . 102 ALA HA . 16186 1 1298 . 1 1 102 102 ALA HB1 H 1 1.12 0.02 . 1 . . . . 102 ALA HB . 16186 1 1299 . 1 1 102 102 ALA HB2 H 1 1.12 0.02 . 1 . . . . 102 ALA HB . 16186 1 1300 . 1 1 102 102 ALA HB3 H 1 1.12 0.02 . 1 . . . . 102 ALA HB . 16186 1 1301 . 1 1 102 102 ALA C C 13 178.9 0.2 . 1 . . . . 102 ALA C . 16186 1 1302 . 1 1 102 102 ALA CA C 13 55.4 0.2 . 1 . . . . 102 ALA CA . 16186 1 1303 . 1 1 102 102 ALA CB C 13 18.6 0.2 . 1 . . . . 102 ALA CB . 16186 1 1304 . 1 1 102 102 ALA N N 15 122.0 0.2 . 1 . . . . 102 ALA N . 16186 1 1305 . 1 1 103 103 LYS H H 1 8.36 0.02 . 1 . . . . 103 LYS H . 16186 1 1306 . 1 1 103 103 LYS HA H 1 3.73 0.02 . 1 . . . . 103 LYS HA . 16186 1 1307 . 1 1 103 103 LYS HB2 H 1 1.80 0.02 . 2 . . . . 103 LYS HB2 . 16186 1 1308 . 1 1 103 103 LYS HB3 H 1 1.72 0.02 . 2 . . . . 103 LYS HB3 . 16186 1 1309 . 1 1 103 103 LYS HD2 H 1 1.63 0.02 . 2 . . . . 103 LYS HD2 . 16186 1 1310 . 1 1 103 103 LYS HD3 H 1 1.63 0.02 . 2 . . . . 103 LYS HD3 . 16186 1 1311 . 1 1 103 103 LYS HE2 H 1 2.95 0.02 . 2 . . . . 103 LYS HE2 . 16186 1 1312 . 1 1 103 103 LYS HE3 H 1 2.93 0.02 . 2 . . . . 103 LYS HE3 . 16186 1 1313 . 1 1 103 103 LYS HG2 H 1 1.47 0.02 . 2 . . . . 103 LYS HG2 . 16186 1 1314 . 1 1 103 103 LYS HG3 H 1 1.34 0.02 . 2 . . . . 103 LYS HG3 . 16186 1 1315 . 1 1 103 103 LYS C C 13 179.4 0.2 . 1 . . . . 103 LYS C . 16186 1 1316 . 1 1 103 103 LYS CA C 13 60.0 0.2 . 1 . . . . 103 LYS CA . 16186 1 1317 . 1 1 103 103 LYS CB C 13 31.9 0.2 . 1 . . . . 103 LYS CB . 16186 1 1318 . 1 1 103 103 LYS CD C 13 29.4 0.2 . 1 . . . . 103 LYS CD . 16186 1 1319 . 1 1 103 103 LYS CE C 13 42.2 0.2 . 1 . . . . 103 LYS CE . 16186 1 1320 . 1 1 103 103 LYS CG C 13 25.4 0.2 . 1 . . . . 103 LYS CG . 16186 1 1321 . 1 1 103 103 LYS N N 15 116.5 0.2 . 1 . . . . 103 LYS N . 16186 1 1322 . 1 1 104 104 GLU H H 1 7.89 0.02 . 1 . . . . 104 GLU H . 16186 1 1323 . 1 1 104 104 GLU HA H 1 4.08 0.02 . 1 . . . . 104 GLU HA . 16186 1 1324 . 1 1 104 104 GLU HB2 H 1 2.16 0.02 . 2 . . . . 104 GLU HB2 . 16186 1 1325 . 1 1 104 104 GLU HB3 H 1 1.85 0.02 . 2 . . . . 104 GLU HB3 . 16186 1 1326 . 1 1 104 104 GLU HG2 H 1 2.33 0.02 . 2 . . . . 104 GLU HG2 . 16186 1 1327 . 1 1 104 104 GLU HG3 H 1 2.26 0.02 . 2 . . . . 104 GLU HG3 . 16186 1 1328 . 1 1 104 104 GLU C C 13 179.3 0.2 . 1 . . . . 104 GLU C . 16186 1 1329 . 1 1 104 104 GLU CA C 13 59.5 0.2 . 1 . . . . 104 GLU CA . 16186 1 1330 . 1 1 104 104 GLU CB C 13 29.1 0.2 . 1 . . . . 104 GLU CB . 16186 1 1331 . 1 1 104 104 GLU CG C 13 36.5 0.2 . 1 . . . . 104 GLU CG . 16186 1 1332 . 1 1 104 104 GLU N N 15 120.0 0.2 . 1 . . . . 104 GLU N . 16186 1 1333 . 1 1 105 105 ILE H H 1 8.17 0.02 . 1 . . . . 105 ILE H . 16186 1 1334 . 1 1 105 105 ILE HA H 1 3.52 0.02 . 1 . . . . 105 ILE HA . 16186 1 1335 . 1 1 105 105 ILE HB H 1 1.64 0.02 . 1 . . . . 105 ILE HB . 16186 1 1336 . 1 1 105 105 ILE HD11 H 1 0.76 0.02 . 1 . . . . 105 ILE HD1 . 16186 1 1337 . 1 1 105 105 ILE HD12 H 1 0.76 0.02 . 1 . . . . 105 ILE HD1 . 16186 1 1338 . 1 1 105 105 ILE HD13 H 1 0.76 0.02 . 1 . . . . 105 ILE HD1 . 16186 1 1339 . 1 1 105 105 ILE HG12 H 1 1.76 0.02 . 2 . . . . 105 ILE HG12 . 16186 1 1340 . 1 1 105 105 ILE HG13 H 1 0.68 0.02 . 2 . . . . 105 ILE HG13 . 16186 1 1341 . 1 1 105 105 ILE HG21 H 1 0.85 0.02 . 1 . . . . 105 ILE HG2 . 16186 1 1342 . 1 1 105 105 ILE HG22 H 1 0.85 0.02 . 1 . . . . 105 ILE HG2 . 16186 1 1343 . 1 1 105 105 ILE HG23 H 1 0.85 0.02 . 1 . . . . 105 ILE HG2 . 16186 1 1344 . 1 1 105 105 ILE C C 13 178.1 0.2 . 1 . . . . 105 ILE C . 16186 1 1345 . 1 1 105 105 ILE CA C 13 66.7 0.2 . 1 . . . . 105 ILE CA . 16186 1 1346 . 1 1 105 105 ILE CB C 13 37.7 0.2 . 1 . . . . 105 ILE CB . 16186 1 1347 . 1 1 105 105 ILE CD1 C 13 13.7 0.2 . 1 . . . . 105 ILE CD1 . 16186 1 1348 . 1 1 105 105 ILE CG1 C 13 30.6 0.2 . 1 . . . . 105 ILE CG1 . 16186 1 1349 . 1 1 105 105 ILE CG2 C 13 17.6 0.2 . 1 . . . . 105 ILE CG2 . 16186 1 1350 . 1 1 105 105 ILE N N 15 119.5 0.2 . 1 . . . . 105 ILE N . 16186 1 1351 . 1 1 106 106 HIS H H 1 8.93 0.02 . 1 . . . . 106 HIS H . 16186 1 1352 . 1 1 106 106 HIS HA H 1 4.23 0.02 . 1 . . . . 106 HIS HA . 16186 1 1353 . 1 1 106 106 HIS HB2 H 1 3.43 0.02 . 2 . . . . 106 HIS HB2 . 16186 1 1354 . 1 1 106 106 HIS HB3 H 1 3.26 0.02 . 2 . . . . 106 HIS HB3 . 16186 1 1355 . 1 1 106 106 HIS HD2 H 1 5.67 0.02 . 1 . . . . 106 HIS HD2 . 16186 1 1356 . 1 1 106 106 HIS C C 13 178.0 0.2 . 1 . . . . 106 HIS C . 16186 1 1357 . 1 1 106 106 HIS CA C 13 57.6 0.2 . 1 . . . . 106 HIS CA . 16186 1 1358 . 1 1 106 106 HIS CB C 13 28.4 0.2 . 1 . . . . 106 HIS CB . 16186 1 1359 . 1 1 106 106 HIS CD2 C 13 115.1 0.2 . 1 . . . . 106 HIS CD2 . 16186 1 1360 . 1 1 106 106 HIS N N 15 116.7 0.2 . 1 . . . . 106 HIS N . 16186 1 1361 . 1 1 107 107 SER H H 1 8.06 0.02 . 1 . . . . 107 SER H . 16186 1 1362 . 1 1 107 107 SER HA H 1 4.31 0.02 . 1 . . . . 107 SER HA . 16186 1 1363 . 1 1 107 107 SER HB2 H 1 4.17 0.02 . 2 . . . . 107 SER HB2 . 16186 1 1364 . 1 1 107 107 SER HB3 H 1 4.04 0.02 . 2 . . . . 107 SER HB3 . 16186 1 1365 . 1 1 107 107 SER C C 13 175.9 0.2 . 1 . . . . 107 SER C . 16186 1 1366 . 1 1 107 107 SER CA C 13 62.2 0.2 . 1 . . . . 107 SER CA . 16186 1 1367 . 1 1 107 107 SER CB C 13 62.5 0.2 . 1 . . . . 107 SER CB . 16186 1 1368 . 1 1 107 107 SER N N 15 117.0 0.2 . 1 . . . . 107 SER N . 16186 1 1369 . 1 1 108 108 LEU H H 1 7.95 0.02 . 1 . . . . 108 LEU H . 16186 1 1370 . 1 1 108 108 LEU HA H 1 4.18 0.02 . 1 . . . . 108 LEU HA . 16186 1 1371 . 1 1 108 108 LEU HB2 H 1 1.88 0.02 . 2 . . . . 108 LEU HB2 . 16186 1 1372 . 1 1 108 108 LEU HB3 H 1 1.95 0.02 . 2 . . . . 108 LEU HB3 . 16186 1 1373 . 1 1 108 108 LEU HD11 H 1 0.69 0.02 . 2 . . . . 108 LEU HD1 . 16186 1 1374 . 1 1 108 108 LEU HD12 H 1 0.69 0.02 . 2 . . . . 108 LEU HD1 . 16186 1 1375 . 1 1 108 108 LEU HD13 H 1 0.69 0.02 . 2 . . . . 108 LEU HD1 . 16186 1 1376 . 1 1 108 108 LEU HD21 H 1 0.83 0.02 . 2 . . . . 108 LEU HD2 . 16186 1 1377 . 1 1 108 108 LEU HD22 H 1 0.83 0.02 . 2 . . . . 108 LEU HD2 . 16186 1 1378 . 1 1 108 108 LEU HD23 H 1 0.83 0.02 . 2 . . . . 108 LEU HD2 . 16186 1 1379 . 1 1 108 108 LEU HG H 1 1.87 0.02 . 1 . . . . 108 LEU HG . 16186 1 1380 . 1 1 108 108 LEU C C 13 180.6 0.2 . 1 . . . . 108 LEU C . 16186 1 1381 . 1 1 108 108 LEU CA C 13 57.9 0.2 . 1 . . . . 108 LEU CA . 16186 1 1382 . 1 1 108 108 LEU CB C 13 42.5 0.2 . 1 . . . . 108 LEU CB . 16186 1 1383 . 1 1 108 108 LEU CD1 C 13 26.6 0.02 . 2 . . . . 108 LEU CD1 . 16186 1 1384 . 1 1 108 108 LEU CD2 C 13 22.8 0.02 . 2 . . . . 108 LEU CD2 . 16186 1 1385 . 1 1 108 108 LEU CG C 13 26.6 0.2 . 1 . . . . 108 LEU CG . 16186 1 1386 . 1 1 108 108 LEU N N 15 121.8 0.2 . 1 . . . . 108 LEU N . 16186 1 1387 . 1 1 109 109 ILE H H 1 8.73 0.02 . 1 . . . . 109 ILE H . 16186 1 1388 . 1 1 109 109 ILE HA H 1 3.83 0.02 . 1 . . . . 109 ILE HA . 16186 1 1389 . 1 1 109 109 ILE HB H 1 2.20 0.02 . 1 . . . . 109 ILE HB . 16186 1 1390 . 1 1 109 109 ILE HD11 H 1 1.03 0.02 . 1 . . . . 109 ILE HD1 . 16186 1 1391 . 1 1 109 109 ILE HD12 H 1 1.03 0.02 . 1 . . . . 109 ILE HD1 . 16186 1 1392 . 1 1 109 109 ILE HD13 H 1 1.03 0.02 . 1 . . . . 109 ILE HD1 . 16186 1 1393 . 1 1 109 109 ILE HG12 H 1 1.06 0.02 . 2 . . . . 109 ILE HG12 . 16186 1 1394 . 1 1 109 109 ILE HG13 H 1 2.19 0.02 . 2 . . . . 109 ILE HG13 . 16186 1 1395 . 1 1 109 109 ILE HG21 H 1 1.24 0.02 . 1 . . . . 109 ILE HG2 . 16186 1 1396 . 1 1 109 109 ILE HG22 H 1 1.24 0.02 . 1 . . . . 109 ILE HG2 . 16186 1 1397 . 1 1 109 109 ILE HG23 H 1 1.24 0.02 . 1 . . . . 109 ILE HG2 . 16186 1 1398 . 1 1 109 109 ILE C C 13 176.8 0.2 . 1 . . . . 109 ILE C . 16186 1 1399 . 1 1 109 109 ILE CA C 13 65.8 0.2 . 1 . . . . 109 ILE CA . 16186 1 1400 . 1 1 109 109 ILE CB C 13 38.6 0.2 . 1 . . . . 109 ILE CB . 16186 1 1401 . 1 1 109 109 ILE CD1 C 13 16.6 0.2 . 1 . . . . 109 ILE CD1 . 16186 1 1402 . 1 1 109 109 ILE CG1 C 13 29.5 0.2 . 1 . . . . 109 ILE CG1 . 16186 1 1403 . 1 1 109 109 ILE CG2 C 13 18.7 0.2 . 1 . . . . 109 ILE CG2 . 16186 1 1404 . 1 1 109 109 ILE N N 15 120.2 0.2 . 1 . . . . 109 ILE N . 16186 1 1405 . 1 1 110 110 GLU H H 1 7.96 0.02 . 1 . . . . 110 GLU H . 16186 1 1406 . 1 1 110 110 GLU HA H 1 4.28 0.02 . 1 . . . . 110 GLU HA . 16186 1 1407 . 1 1 110 110 GLU HB2 H 1 2.20 0.02 . 2 . . . . 110 GLU HB2 . 16186 1 1408 . 1 1 110 110 GLU HB3 H 1 2.20 0.02 . 2 . . . . 110 GLU HB3 . 16186 1 1409 . 1 1 110 110 GLU HG2 H 1 2.50 0.02 . 2 . . . . 110 GLU HG2 . 16186 1 1410 . 1 1 110 110 GLU HG3 H 1 2.35 0.02 . 2 . . . . 110 GLU HG3 . 16186 1 1411 . 1 1 110 110 GLU C C 13 178.5 0.2 . 1 . . . . 110 GLU C . 16186 1 1412 . 1 1 110 110 GLU CA C 13 58.8 0.2 . 1 . . . . 110 GLU CA . 16186 1 1413 . 1 1 110 110 GLU CB C 13 28.2 0.2 . 1 . . . . 110 GLU CB . 16186 1 1414 . 1 1 110 110 GLU CG C 13 34.5 0.2 . 1 . . . . 110 GLU CG . 16186 1 1415 . 1 1 110 110 GLU N N 15 120.8 0.2 . 1 . . . . 110 GLU N . 16186 1 1416 . 1 1 111 111 ASP H H 1 8.29 0.02 . 1 . . . . 111 ASP H . 16186 1 1417 . 1 1 111 111 ASP HA H 1 4.47 0.02 . 1 . . . . 111 ASP HA . 16186 1 1418 . 1 1 111 111 ASP HB2 H 1 3.02 0.02 . 2 . . . . 111 ASP HB2 . 16186 1 1419 . 1 1 111 111 ASP HB3 H 1 2.79 0.02 . 2 . . . . 111 ASP HB3 . 16186 1 1420 . 1 1 111 111 ASP C C 13 178.2 0.2 . 1 . . . . 111 ASP C . 16186 1 1421 . 1 1 111 111 ASP CA C 13 57.1 0.2 . 1 . . . . 111 ASP CA . 16186 1 1422 . 1 1 111 111 ASP CB C 13 39.3 0.2 . 1 . . . . 111 ASP CB . 16186 1 1423 . 1 1 111 111 ASP N N 15 119.2 0.2 . 1 . . . . 111 ASP N . 16186 1 1424 . 1 1 112 112 SER H H 1 7.80 0.02 . 1 . . . . 112 SER H . 16186 1 1425 . 1 1 112 112 SER HA H 1 4.20 0.02 . 1 . . . . 112 SER HA . 16186 1 1426 . 1 1 112 112 SER HB2 H 1 4.52 0.02 . 2 . . . . 112 SER HB2 . 16186 1 1427 . 1 1 112 112 SER HB3 H 1 4.26 0.02 . 2 . . . . 112 SER HB3 . 16186 1 1428 . 1 1 112 112 SER C C 13 178.6 0.2 . 1 . . . . 112 SER C . 16186 1 1429 . 1 1 112 112 SER CA C 13 61.2 0.2 . 1 . . . . 112 SER CA . 16186 1 1430 . 1 1 112 112 SER CB C 13 64.2 0.2 . 1 . . . . 112 SER CB . 16186 1 1431 . 1 1 112 112 SER N N 15 114.7 0.2 . 1 . . . . 112 SER N . 16186 1 1432 . 1 1 113 113 PHE H H 1 9.16 0.02 . 1 . . . . 113 PHE H . 16186 1 1433 . 1 1 113 113 PHE HA H 1 3.21 0.02 . 1 . . . . 113 PHE HA . 16186 1 1434 . 1 1 113 113 PHE HB2 H 1 2.02 0.02 . 2 . . . . 113 PHE HB2 . 16186 1 1435 . 1 1 113 113 PHE HB3 H 1 3.10 0.02 . 2 . . . . 113 PHE HB3 . 16186 1 1436 . 1 1 113 113 PHE C C 13 178.1 0.2 . 1 . . . . 113 PHE C . 16186 1 1437 . 1 1 113 113 PHE CA C 13 62.9 0.2 . 1 . . . . 113 PHE CA . 16186 1 1438 . 1 1 113 113 PHE CB C 13 39.1 0.2 . 1 . . . . 113 PHE CB . 16186 1 1439 . 1 1 113 113 PHE N N 15 121.4 0.2 . 1 . . . . 113 PHE N . 16186 1 1440 . 1 1 114 114 GLN H H 1 8.87 0.02 . 1 . . . . 114 GLN H . 16186 1 1441 . 1 1 114 114 GLN HA H 1 4.00 0.02 . 1 . . . . 114 GLN HA . 16186 1 1442 . 1 1 114 114 GLN HB2 H 1 2.23 0.02 . 2 . . . . 114 GLN HB2 . 16186 1 1443 . 1 1 114 114 GLN HB3 H 1 2.23 0.02 . 2 . . . . 114 GLN HB3 . 16186 1 1444 . 1 1 114 114 GLN HE21 H 1 8.14 0.02 . 1 . . . . 114 GLN HE21 . 16186 1 1445 . 1 1 114 114 GLN HE22 H 1 6.98 0.02 . 1 . . . . 114 GLN HE22 . 16186 1 1446 . 1 1 114 114 GLN HG2 H 1 2.72 0.02 . 2 . . . . 114 GLN HG2 . 16186 1 1447 . 1 1 114 114 GLN HG3 H 1 2.87 0.02 . 2 . . . . 114 GLN HG3 . 16186 1 1448 . 1 1 114 114 GLN C C 13 179.7 0.2 . 1 . . . . 114 GLN C . 16186 1 1449 . 1 1 114 114 GLN CA C 13 58.3 0.2 . 1 . . . . 114 GLN CA . 16186 1 1450 . 1 1 114 114 GLN CB C 13 27.6 0.2 . 1 . . . . 114 GLN CB . 16186 1 1451 . 1 1 114 114 GLN CD C 13 180.2 0.2 . 1 . . . . 114 GLN CD . 16186 1 1452 . 1 1 114 114 GLN CG C 13 32.9 0.2 . 1 . . . . 114 GLN CG . 16186 1 1453 . 1 1 114 114 GLN N N 15 116.8 0.2 . 1 . . . . 114 GLN N . 16186 1 1454 . 1 1 114 114 GLN NE2 N 15 112.6 0.2 . 1 . . . . 114 GLN NE2 . 16186 1 1455 . 1 1 115 115 LEU H H 1 8.57 0.02 . 1 . . . . 115 LEU H . 16186 1 1456 . 1 1 115 115 LEU HA H 1 4.09 0.02 . 1 . . . . 115 LEU HA . 16186 1 1457 . 1 1 115 115 LEU HB2 H 1 1.80 0.02 . 2 . . . . 115 LEU HB2 . 16186 1 1458 . 1 1 115 115 LEU HB3 H 1 1.44 0.02 . 2 . . . . 115 LEU HB3 . 16186 1 1459 . 1 1 115 115 LEU HD11 H 1 0.67 0.02 . 2 . . . . 115 LEU HD1 . 16186 1 1460 . 1 1 115 115 LEU HD12 H 1 0.67 0.02 . 2 . . . . 115 LEU HD1 . 16186 1 1461 . 1 1 115 115 LEU HD13 H 1 0.67 0.02 . 2 . . . . 115 LEU HD1 . 16186 1 1462 . 1 1 115 115 LEU HD21 H 1 0.73 0.02 . 2 . . . . 115 LEU HD2 . 16186 1 1463 . 1 1 115 115 LEU HD22 H 1 0.73 0.02 . 2 . . . . 115 LEU HD2 . 16186 1 1464 . 1 1 115 115 LEU HD23 H 1 0.73 0.02 . 2 . . . . 115 LEU HD2 . 16186 1 1465 . 1 1 115 115 LEU HG H 1 1.77 0.02 . 1 . . . . 115 LEU HG . 16186 1 1466 . 1 1 115 115 LEU C C 13 178.6 0.2 . 1 . . . . 115 LEU C . 16186 1 1467 . 1 1 115 115 LEU CA C 13 57.3 0.2 . 1 . . . . 115 LEU CA . 16186 1 1468 . 1 1 115 115 LEU CB C 13 43.2 0.2 . 1 . . . . 115 LEU CB . 16186 1 1469 . 1 1 115 115 LEU CD1 C 13 24.9 0.02 . 2 . . . . 115 LEU CD1 . 16186 1 1470 . 1 1 115 115 LEU CD2 C 13 23.9 0.02 . 2 . . . . 115 LEU CD2 . 16186 1 1471 . 1 1 115 115 LEU CG C 13 26.8 0.2 . 1 . . . . 115 LEU CG . 16186 1 1472 . 1 1 115 115 LEU N N 15 119.8 0.2 . 1 . . . . 115 LEU N . 16186 1 1473 . 1 1 116 116 THR H H 1 7.24 0.02 . 1 . . . . 116 THR H . 16186 1 1474 . 1 1 116 116 THR HA H 1 4.27 0.02 . 1 . . . . 116 THR HA . 16186 1 1475 . 1 1 116 116 THR HB H 1 4.46 0.02 . 1 . . . . 116 THR HB . 16186 1 1476 . 1 1 116 116 THR HG1 H 1 5.35 0.02 . 1 . . . . 116 THR HG1 . 16186 1 1477 . 1 1 116 116 THR HG21 H 1 1.42 0.02 . 1 . . . . 116 THR HG2 . 16186 1 1478 . 1 1 116 116 THR HG22 H 1 1.42 0.02 . 1 . . . . 116 THR HG2 . 16186 1 1479 . 1 1 116 116 THR HG23 H 1 1.42 0.02 . 1 . . . . 116 THR HG2 . 16186 1 1480 . 1 1 116 116 THR C C 13 173.2 0.2 . 1 . . . . 116 THR C . 16186 1 1481 . 1 1 116 116 THR CA C 13 60.7 0.2 . 1 . . . . 116 THR CA . 16186 1 1482 . 1 1 116 116 THR CB C 13 70.8 0.2 . 1 . . . . 116 THR CB . 16186 1 1483 . 1 1 116 116 THR CG2 C 13 22.6 0.2 . 1 . . . . 116 THR CG2 . 16186 1 1484 . 1 1 116 116 THR N N 15 104.9 0.2 . 1 . . . . 116 THR N . 16186 1 1485 . 1 1 117 117 ARG H H 1 6.84 0.02 . 1 . . . . 117 ARG H . 16186 1 1486 . 1 1 117 117 ARG HA H 1 3.06 0.02 . 1 . . . . 117 ARG HA . 16186 1 1487 . 1 1 117 117 ARG HB2 H 1 1.50 0.02 . 2 . . . . 117 ARG HB2 . 16186 1 1488 . 1 1 117 117 ARG HB3 H 1 1.50 0.02 . 2 . . . . 117 ARG HB3 . 16186 1 1489 . 1 1 117 117 ARG HD2 H 1 3.10 0.02 . 2 . . . . 117 ARG HD2 . 16186 1 1490 . 1 1 117 117 ARG HD3 H 1 3.04 0.02 . 2 . . . . 117 ARG HD3 . 16186 1 1491 . 1 1 117 117 ARG HE H 1 7.36 0.02 . 1 . . . . 117 ARG HE . 16186 1 1492 . 1 1 117 117 ARG HG2 H 1 1.30 0.02 . 2 . . . . 117 ARG HG2 . 16186 1 1493 . 1 1 117 117 ARG HG3 H 1 1.40 0.02 . 2 . . . . 117 ARG HG3 . 16186 1 1494 . 1 1 117 117 ARG C C 13 175.2 0.2 . 1 . . . . 117 ARG C . 16186 1 1495 . 1 1 117 117 ARG CA C 13 55.9 0.2 . 1 . . . . 117 ARG CA . 16186 1 1496 . 1 1 117 117 ARG CB C 13 31.1 0.2 . 1 . . . . 117 ARG CB . 16186 1 1497 . 1 1 117 117 ARG CD C 13 44.1 0.2 . 1 . . . . 117 ARG CD . 16186 1 1498 . 1 1 117 117 ARG CG C 13 26.6 0.2 . 1 . . . . 117 ARG CG . 16186 1 1499 . 1 1 117 117 ARG CZ C 13 159.7 0.2 . 1 . . . . 117 ARG CZ . 16186 1 1500 . 1 1 117 117 ARG N N 15 120.9 0.2 . 1 . . . . 117 ARG N . 16186 1 1501 . 1 1 117 117 ARG NE N 15 84.3 0.2 . 1 . . . . 117 ARG NE . 16186 1 1502 . 1 1 118 118 LEU H H 1 8.38 0.02 . 1 . . . . 118 LEU H . 16186 1 1503 . 1 1 118 118 LEU HA H 1 4.10 0.02 . 1 . . . . 118 LEU HA . 16186 1 1504 . 1 1 118 118 LEU HB2 H 1 1.50 0.02 . 2 . . . . 118 LEU HB2 . 16186 1 1505 . 1 1 118 118 LEU HB3 H 1 1.31 0.02 . 2 . . . . 118 LEU HB3 . 16186 1 1506 . 1 1 118 118 LEU HD11 H 1 0.73 0.02 . 2 . . . . 118 LEU HD1 . 16186 1 1507 . 1 1 118 118 LEU HD12 H 1 0.73 0.02 . 2 . . . . 118 LEU HD1 . 16186 1 1508 . 1 1 118 118 LEU HD13 H 1 0.73 0.02 . 2 . . . . 118 LEU HD1 . 16186 1 1509 . 1 1 118 118 LEU HD21 H 1 0.82 0.02 . 2 . . . . 118 LEU HD2 . 16186 1 1510 . 1 1 118 118 LEU HD22 H 1 0.82 0.02 . 2 . . . . 118 LEU HD2 . 16186 1 1511 . 1 1 118 118 LEU HD23 H 1 0.82 0.02 . 2 . . . . 118 LEU HD2 . 16186 1 1512 . 1 1 118 118 LEU HG H 1 1.31 0.02 . 1 . . . . 118 LEU HG . 16186 1 1513 . 1 1 118 118 LEU C C 13 176.5 0.2 . 1 . . . . 118 LEU C . 16186 1 1514 . 1 1 118 118 LEU CA C 13 55.3 0.2 . 1 . . . . 118 LEU CA . 16186 1 1515 . 1 1 118 118 LEU CB C 13 42.4 0.2 . 1 . . . . 118 LEU CB . 16186 1 1516 . 1 1 118 118 LEU CD1 C 13 24.6 0.02 . 2 . . . . 118 LEU CD1 . 16186 1 1517 . 1 1 118 118 LEU CD2 C 13 24.6 0.02 . 2 . . . . 118 LEU CD2 . 16186 1 1518 . 1 1 118 118 LEU CG C 13 26.8 0.2 . 1 . . . . 118 LEU CG . 16186 1 1519 . 1 1 118 118 LEU N N 15 122.6 0.2 . 1 . . . . 118 LEU N . 16186 1 1520 . 1 1 119 119 GLU H H 1 8.33 0.02 . 1 . . . . 119 GLU H . 16186 1 1521 . 1 1 119 119 GLU HA H 1 4.16 0.02 . 1 . . . . 119 GLU HA . 16186 1 1522 . 1 1 119 119 GLU HB2 H 1 1.81 0.02 . 2 . . . . 119 GLU HB2 . 16186 1 1523 . 1 1 119 119 GLU HB3 H 1 1.81 0.02 . 2 . . . . 119 GLU HB3 . 16186 1 1524 . 1 1 119 119 GLU HG2 H 1 2.17 0.02 . 2 . . . . 119 GLU HG2 . 16186 1 1525 . 1 1 119 119 GLU HG3 H 1 2.10 0.02 . 2 . . . . 119 GLU HG3 . 16186 1 1526 . 1 1 119 119 GLU C C 13 175.8 0.2 . 1 . . . . 119 GLU C . 16186 1 1527 . 1 1 119 119 GLU CA C 13 56.0 0.2 . 1 . . . . 119 GLU CA . 16186 1 1528 . 1 1 119 119 GLU CB C 13 30.3 0.2 . 1 . . . . 119 GLU CB . 16186 1 1529 . 1 1 119 119 GLU CG C 13 35.8 0.2 . 1 . . . . 119 GLU CG . 16186 1 1530 . 1 1 119 119 GLU N N 15 124.0 0.2 . 1 . . . . 119 GLU N . 16186 1 1531 . 1 1 120 120 HIS H H 1 8.52 0.02 . 1 . . . . 120 HIS H . 16186 1 1532 . 1 1 120 120 HIS HA H 1 4.62 0.02 . 1 . . . . 120 HIS HA . 16186 1 1533 . 1 1 120 120 HIS HB2 H 1 3.16 0.02 . 2 . . . . 120 HIS HB2 . 16186 1 1534 . 1 1 120 120 HIS HB3 H 1 3.09 0.02 . 2 . . . . 120 HIS HB3 . 16186 1 1535 . 1 1 120 120 HIS C C 13 174.0 0.2 . 1 . . . . 120 HIS C . 16186 1 1536 . 1 1 120 120 HIS CA C 13 55.3 0.2 . 1 . . . . 120 HIS CA . 16186 1 1537 . 1 1 120 120 HIS CB C 13 29.3 0.2 . 1 . . . . 120 HIS CB . 16186 1 1538 . 1 1 120 120 HIS N N 15 120.1 0.2 . 1 . . . . 120 HIS N . 16186 1 1539 . 1 1 121 121 HIS H H 1 8.58 0.02 . 1 . . . . 121 HIS H . 16186 1 1540 . 1 1 121 121 HIS HA H 1 4.62 0.02 . 1 . . . . 121 HIS HA . 16186 1 1541 . 1 1 121 121 HIS HB2 H 1 3.20 0.02 . 2 . . . . 121 HIS HB2 . 16186 1 1542 . 1 1 121 121 HIS HB3 H 1 3.11 0.02 . 2 . . . . 121 HIS HB3 . 16186 1 1543 . 1 1 121 121 HIS C C 13 173.5 0.2 . 1 . . . . 121 HIS C . 16186 1 1544 . 1 1 121 121 HIS CA C 13 55.3 0.2 . 1 . . . . 121 HIS CA . 16186 1 1545 . 1 1 121 121 HIS CB C 13 29.2 0.2 . 1 . . . . 121 HIS CB . 16186 1 1546 . 1 1 121 121 HIS N N 15 120.8 0.2 . 1 . . . . 121 HIS N . 16186 1 1547 . 1 1 122 122 HIS H H 1 8.40 0.02 . 1 . . . . 122 HIS H . 16186 1 1548 . 1 1 122 122 HIS HA H 1 4.62 0.02 . 1 . . . . 122 HIS HA . 16186 1 1549 . 1 1 122 122 HIS HB2 H 1 3.12 0.02 . 2 . . . . 122 HIS HB2 . 16186 1 1550 . 1 1 122 122 HIS HB3 H 1 3.02 0.02 . 2 . . . . 122 HIS HB3 . 16186 1 1551 . 1 1 122 122 HIS CA C 13 55.3 0.2 . 1 . . . . 122 HIS CA . 16186 1 1552 . 1 1 122 122 HIS CB C 13 29.2 0.2 . 1 . . . . 122 HIS CB . 16186 1 1553 . 1 1 122 122 HIS N N 15 125.7 0.2 . 1 . . . . 122 HIS N . 16186 1 1554 . 1 1 123 123 HIS H H 1 8.69 0.02 . 1 . . . . 123 HIS H . 16186 1 1555 . 1 1 123 123 HIS HA H 1 4.64 0.02 . 1 . . . . 123 HIS HA . 16186 1 1556 . 1 1 123 123 HIS HB2 H 1 3.17 0.02 . 2 . . . . 123 HIS HB2 . 16186 1 1557 . 1 1 123 123 HIS HB3 H 1 3.09 0.02 . 2 . . . . 123 HIS HB3 . 16186 1 1558 . 1 1 123 123 HIS C C 13 174.1 0.2 . 1 . . . . 123 HIS C . 16186 1 1559 . 1 1 123 123 HIS CA C 13 55.3 0.2 . 1 . . . . 123 HIS CA . 16186 1 1560 . 1 1 123 123 HIS CB C 13 29.3 0.2 . 1 . . . . 123 HIS CB . 16186 1 1561 . 1 1 123 123 HIS N N 15 120.2 0.2 . 1 . . . . 123 HIS N . 16186 1 1562 . 1 1 124 124 HIS H H 1 8.71 0.02 . 1 . . . . 124 HIS H . 16186 1 1563 . 1 1 124 124 HIS HA H 1 4.64 0.02 . 1 . . . . 124 HIS HA . 16186 1 1564 . 1 1 124 124 HIS HB2 H 1 3.17 0.02 . 2 . . . . 124 HIS HB2 . 16186 1 1565 . 1 1 124 124 HIS HB3 H 1 3.09 0.02 . 2 . . . . 124 HIS HB3 . 16186 1 1566 . 1 1 124 124 HIS C C 13 174.2 0.2 . 1 . . . . 124 HIS C . 16186 1 1567 . 1 1 124 124 HIS CA C 13 55.3 0.2 . 1 . . . . 124 HIS CA . 16186 1 1568 . 1 1 124 124 HIS CB C 13 29.3 0.2 . 1 . . . . 124 HIS CB . 16186 1 1569 . 1 1 124 124 HIS N N 15 120.7 0.2 . 1 . . . . 124 HIS N . 16186 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 16186 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 104.894 4.797 7.236 16033069 104.902 4.469 7.238 5010670 104.903 4.094 7.235 5742350 104.905 8.848 7.234 1939750 104.906 5.342 7.237 18871322 104.910 8.572 7.237 14231020 104.911 7.239 7.237 114330576 104.911 4.262 7.237 10763196 104.911 1.798 7.236 7354156 104.912 1.430 7.237 24741168 104.914 6.830 7.237 26843124 105.292 8.359 8.539 6069484 105.322 3.198 8.539 9787158 105.342 7.070 8.540 22944026 105.346 1.874 8.540 34803428 105.346 3.766 8.540 57606804 105.346 3.613 8.540 46665864 105.347 8.546 8.541 297158240 105.349 0.866 8.541 20204342 105.349 7.874 8.540 35172060 105.351 0.758 8.539 13340631 105.360 4.172 8.541 4358736 106.925 0.404 7.361 6208402 106.935 1.453 7.361 3807825 106.935 0.554 7.364 7819240 106.936 4.173 7.362 18148310 106.937 0.959 7.362 5451232 106.940 3.723 7.362 52142848 106.941 7.365 7.362 312379040 106.943 2.091 7.362 3710904 106.943 7.213 7.363 67555712 106.944 4.046 7.362 44866536 106.948 4.485 7.362 23280398 106.959 1.715 7.362 5014492 106.971 7.906 7.365 5423193 108.619 0.906 7.817 7193796 108.625 4.147 7.819 8381519 108.630 4.470 7.818 28597440 108.632 3.723 7.817 34943716 108.633 7.821 7.817 383708896 108.633 4.740 7.817 39162452 108.639 1.567 7.818 9364207 108.642 8.683 7.818 19065246 108.649 2.918 7.817 9131216 108.846 8.702 7.176 1940255 108.962 3.547 7.188 3330705 108.969 0.957 7.186 16191610 108.971 0.098 7.185 5998264 108.975 0.406 7.186 12983840 108.977 7.912 7.186 23013546 108.978 4.484 7.186 14281331 108.983 1.428 7.186 4408652 108.984 1.717 7.185 10226677 108.984 0.551 7.186 22956752 108.988 7.193 7.187 186776352 108.988 7.361 7.187 35410632 108.988 4.171 7.186 4161880 109.004 4.061 7.185 9402956 109.014 3.725 7.187 3212950 109.201 1.624 6.741 2537103 109.211 2.576 6.750 2345536 109.216 4.786 8.290 5197236 109.218 1.952 8.287 10309874 109.233 6.741 6.740 29356874 109.234 1.707 8.287 16646648 109.234 7.226 6.742 29255700 109.235 4.347 8.287 28477390 109.237 4.193 8.287 96703936 109.239 3.578 8.287 34643300 109.240 2.256 8.288 14208377 109.240 2.577 7.218 4354583 109.241 8.289 8.288 281249504 109.242 1.317 7.217 4196278 109.243 3.135 7.219 4955335 109.244 7.294 8.287 45924864 109.246 6.742 7.219 37686184 109.246 3.127 6.738 2746751 109.247 6.665 8.288 5739974 109.252 0.841 8.295 6368602 109.272 1.311 6.742 2526642 109.367 8.557 8.311 3440452 109.384 8.315 8.312 99438576 109.389 3.877 8.309 9878038 109.440 4.681 8.310 4363528 110.232 4.051 8.232 4608059 110.240 2.088 8.235 8154400 110.240 0.794 8.234 9240129 110.241 4.534 8.234 203897008 110.242 8.238 8.234 1030331584 110.242 3.735 8.234 94843536 110.242 4.385 8.233 6706884 110.243 4.213 8.234 68603352 110.243 2.690 8.234 68879968 110.250 2.283 8.234 6842597 110.257 1.164 8.236 8166892 110.579 7.744 8.612 8057690 110.624 2.167 8.613 9736628 110.628 1.456 8.613 15121305 110.632 1.717 8.613 18768682 110.633 8.615 8.613 346422880 110.633 4.282 8.613 99165392 110.633 3.884 8.613 55141176 110.634 0.831 8.613 13172245 110.635 8.311 8.614 9597653 110.635 4.116 8.613 40323948 110.636 0.770 8.613 14606974 110.644 7.891 8.612 4426026 111.008 7.457 7.454 72857552 111.012 2.766 7.461 2496338 111.027 3.325 7.453 6634944 111.046 2.766 6.938 2496499 111.053 3.333 6.937 4321887 111.056 6.934 6.937 66444052 111.066 6.937 7.453 59319392 111.068 2.922 7.453 9673418 111.069 7.457 6.936 66858880 111.091 2.922 6.936 6756447 111.382 2.086 7.587 2489322 111.400 8.382 7.598 10117143 111.400 8.382 7.598 10117143 111.408 7.604 7.603 36688648 111.415 4.283 7.603 2291852 111.420 3.007 7.596 3622547 111.431 4.574 7.604 3164507 111.470 8.385 7.591 7785809 111.470 7.616 7.597 37515128 111.470 7.842 7.600 996979 111.471 2.760 7.556 7233740 111.482 2.506 6.821 9530181 111.486 2.498 7.555 11366844 111.516 2.758 6.822 6097340 111.650 2.963 7.276 3479379 111.685 1.034 7.276 3401809 111.694 1.453 6.748 2441065 111.701 7.278 6.750 457867744 111.702 1.376 9.086 4735182 111.702 6.754 6.750 878260352 111.705 6.754 7.274 395242528 111.711 7.278 7.275 993307392 111.713 2.915 9.087 3741486 111.713 4.135 7.275 2754680 111.715 2.337 7.275 25513132 111.717 4.799 6.746 5383075 111.721 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9.607 8.292 4115126 123.722 4.242 8.292 7251707 123.722 5.187 8.292 4908313 123.722 5.569 8.292 42059292 123.722 1.328 8.295 26783592 123.722 1.792 8.298 9837817 123.722 0.858 8.304 4240039 123.724 8.854 8.293 46552116 123.727 4.796 8.292 33847368 123.729 6.758 8.293 16653316 123.733 3.931 8.292 26064940 123.743 8.699 8.697 32200750 123.746 4.381 8.292 5232333 123.748 1.914 8.697 5362236 123.748 4.321 8.697 7004865 123.754 8.297 8.292 419734912 123.763 0.723 8.300 4964066 123.763 4.399 8.697 13431499 123.777 2.206 8.300 6050090 123.780 1.633 8.700 6118254 123.854 4.248 8.289 8973358 123.985 7.213 8.326 3639130 124.008 1.494 8.328 18305310 124.012 2.151 8.327 18262196 124.016 0.812 8.328 26615664 124.018 8.331 8.328 655097664 124.018 1.805 8.328 74632176 124.024 1.306 8.329 26374990 124.026 4.100 8.328 122650960 124.027 8.478 8.329 24032444 124.036 5.189 8.040 2741656 124.037 3.073 8.330 3677888 124.060 4.562 8.314 3738785 124.073 2.280 8.034 9425513 124.077 6.900 8.035 10051170 124.078 7.755 8.031 2307068 124.086 -0.452 8.035 8721247 124.090 4.246 8.034 27768412 124.096 8.042 8.034 50684408 124.140 0.975 8.034 3671484 124.650 3.836 8.332 24611276 124.650 8.560 8.332 5906104 124.655 3.993 8.332 22288234 124.658 1.317 8.333 20414528 124.662 7.862 8.332 61394468 124.662 0.771 8.331 39478840 124.666 7.093 8.334 5236334 124.670 8.332 8.331 274877248 124.670 1.775 8.332 60504364 124.674 3.198 8.331 9805419 124.683 4.165 8.330 10427363 124.770 4.471 8.325 3563965 125.621 3.183 8.393 45924036 125.635 4.414 8.386 31304506 125.638 4.608 8.393 104641248 125.664 4.797 8.395 156085408 125.664 8.394 8.395 2618651136 125.942 6.746 9.232 4778306 125.948 4.417 9.238 2969882 125.954 0.728 9.232 6598722 125.965 5.027 9.232 8512055 125.965 1.348 9.234 4037891 125.973 9.237 9.234 118256312 125.974 1.091 9.234 27125424 125.976 2.966 9.232 6249885 125.977 5.492 9.233 41074448 125.979 2.209 9.233 5466134 125.980 9.690 9.232 7667504 126.084 2.267 9.488 9681909 126.086 8.568 9.488 5532415 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128.028 7.410 9.913 13603385 128.029 3.020 9.913 2686132 128.029 -0.166 9.913 2347138 128.030 9.912 9.913 155658224 128.031 7.142 9.913 26342494 128.037 -0.452 9.914 5406470 128.047 5.153 8.046 2023977 128.062 8.060 8.051 10845791 128.062 8.060 8.051 10845791 128.064 8.294 8.050 964656 128.066 1.360 8.052 2718170 128.080 4.334 8.058 4159270 128.080 0.838 8.054 3059806 128.088 3.193 9.903 2113192 128.406 1.444 9.022 3462841 128.430 2.302 9.026 18130046 128.430 7.007 9.026 3763760 128.431 3.981 9.025 35043652 128.434 2.035 9.025 63350120 128.435 9.028 9.025 341126048 128.436 4.994 9.025 88328920 128.439 8.507 9.025 29185762 128.441 3.276 9.025 7915984 128.444 4.804 9.024 6689954 128.468 7.387 9.024 5132690 129.561 3.342 10.299 4290498 129.561 2.783 10.298 8720382 129.564 10.309 10.300 202339600 129.566 2.854 10.301 9502791 129.571 7.472 10.300 45980964 129.574 3.006 10.301 7451446 129.585 0.748 10.300 5106156 129.592 4.798 10.296 3034544 129.623 1.155 10.300 3716149 130.024 7.771 8.539 2352297 130.069 1.289 8.541 6724567 130.075 7.913 8.544 1415011 130.080 0.755 8.544 7526748 130.081 1.614 8.542 4935082 130.085 3.551 8.542 22161000 130.086 4.733 8.542 20021206 130.087 1.165 8.542 62675920 130.087 4.419 8.542 62780624 130.087 8.547 8.542 194704448 130.091 0.485 8.542 9419583 130.096 1.813 8.541 6516166 130.100 2.461 8.542 9425378 130.103 8.695 8.542 19213674 130.107 9.026 8.540 7173150 130.154 7.385 10.298 62796232 130.161 7.620 10.297 23641864 130.169 0.727 10.296 3574986 130.173 4.997 10.299 2487039 130.185 1.024 8.543 1679704 130.413 7.230 9.694 2601976 130.415 1.629 9.693 2802669 130.436 2.201 9.690 7567084 130.440 5.198 9.692 20524722 130.447 9.695 9.692 44509940 130.456 1.350 9.692 10190666 130.468 1.078 9.692 5764618 130.468 0.725 9.692 8594694 130.478 9.247 9.694 3697831 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 N 1 2590.674 . . . 16186 1 2 H 1 H 2 10000.000 . . . 16186 1 3 H 1 HN 1 12755.102 . . . 16186 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 6 $SPARKY . . 16186 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 16186 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY (aliph)' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 13.138 1.029 0.758 94945392 13.142 2.903 0.762 17588412 13.148 7.290 0.762 14721810 13.173 4.009 0.766 27391374 13.176 8.295 0.759 11504588 13.199 1.482 0.764 162393168 13.203 0.761 0.762 6176378880 13.207 7.830 0.763 19103030 13.218 3.753 0.763 9425718 13.236 2.006 0.763 96300944 13.256 4.783 0.761 50043036 13.305 4.150 0.758 33997428 13.369 1.726 0.759 198351296 13.394 7.433 0.757 -5548070 13.422 8.165 0.758 30156280 13.445 3.518 0.757 65390852 13.478 2.544 0.755 5844236 13.891 7.648 0.942 5559626 13.893 1.723 0.593 7124382 13.899 7.222 0.944 10529558 13.913 6.924 0.944 17761326 13.918 2.125 0.944 118648200 13.919 1.641 0.944 57674692 13.922 8.390 0.944 32334440 13.922 0.947 0.944 2485936384 13.923 1.989 0.944 97990112 13.927 7.083 0.944 20445286 13.930 3.270 0.944 51982472 13.932 3.911 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0.818 4.042 98060808 60.499 7.254 4.042 26767938 60.499 8.277 4.042 140418592 60.502 1.451 4.041 27253648 60.518 4.043 4.042 474379584 60.689 1.953 4.175 7839704 60.708 9.712 4.679 4566365 60.724 3.841 4.173 160203008 60.728 8.333 4.173 15413378 60.735 7.101 4.175 13958559 60.735 2.929 4.173 18632222 60.741 1.627 4.173 61875492 60.744 7.869 4.173 57019924 60.744 4.174 4.173 699898304 60.764 4.270 4.269 410761376 60.785 6.841 4.271 14489169 60.792 0.808 4.680 65236416 60.805 8.076 4.679 42355468 60.807 2.027 4.678 15674574 60.813 1.621 4.272 15878092 60.815 1.428 4.271 84227400 60.818 4.684 4.680 130712384 60.837 4.805 4.272 8256808 60.840 7.238 4.270 18438924 60.857 1.694 4.074 6621860 60.887 2.150 4.270 5658330 60.904 5.341 4.270 6883980 60.946 3.834 4.179 77699008 60.946 1.629 4.175 37154740 60.946 4.193 4.179 501332640 60.946 1.409 4.175 17458844 60.946 8.556 4.179 9479340 60.963 1.816 4.262 8871136 61.014 1.784 4.184 24029744 61.239 8.557 4.194 13453372 61.245 4.511 4.200 24171752 61.245 1.445 4.192 26692816 61.288 1.240 4.199 16139391 61.293 0.692 4.200 23199374 61.329 7.393 4.199 8575165 61.571 5.844 4.657 10046815 61.574 1.659 4.648 7944798 61.600 1.485 4.651 52999368 61.602 4.655 4.652 265325760 61.602 8.825 4.651 94406344 61.603 3.917 4.653 18381284 61.604 7.563 4.653 19005398 61.660 8.360 3.993 10230773 61.664 1.631 3.989 22335798 61.675 2.865 3.986 25105926 61.695 3.990 3.988 311429152 61.695 8.438 3.988 8804039 61.702 8.007 4.255 9648867 61.706 3.188 3.986 39600296 61.710 6.716 3.986 35844652 61.719 8.055 3.989 39039036 61.724 4.255 4.254 195352480 61.778 1.136 4.257 21772758 61.785 8.322 4.256 25792326 61.857 8.538 3.537 5753894 61.903 1.836 3.536 8857908 61.910 3.918 3.538 6762170 61.916 2.004 3.535 7276517 61.952 8.699 3.537 4054711 61.952 3.540 3.537 244133328 61.953 1.084 3.537 91369760 61.957 8.305 3.536 78169384 61.962 4.252 3.538 10641127 61.986 1.485 3.539 8671876 61.987 4.779 3.538 10066029 62.015 2.247 3.537 8854151 62.032 7.234 3.537 5671652 62.223 4.330 4.327 311792576 62.243 4.804 4.330 8889456 62.246 2.200 4.328 22214614 62.257 0.851 4.060 30577464 62.266 8.277 4.325 4348052 62.284 4.032 4.036 421656992 62.284 4.054 4.326 73381776 62.284 4.325 4.040 42798300 62.298 8.043 4.329 25481934 62.298 7.960 4.327 19827148 62.346 0.817 4.608 9881617 62.349 4.784 4.606 17908240 62.353 4.609 4.605 240637488 62.356 2.304 4.606 50118956 62.362 8.115 4.606 44772964 62.363 1.117 4.605 11453087 62.369 3.101 4.607 22401758 62.372 1.948 4.606 46606720 62.453 3.924 4.607 7964164 62.517 4.126 4.126 294994144 62.546 1.880 4.127 20016320 62.558 8.281 4.129 25901648 62.560 3.175 4.127 41072200 62.564 8.059 4.123 11139972 62.570 3.119 4.127 39873276 62.572 6.929 4.127 27402876 62.573 2.865 4.127 23024420 62.593 8.692 4.120 2696199 62.594 4.054 4.036 875945088 62.597 1.037 4.130 7695642 62.634 2.207 4.030 8297670 62.663 1.863 4.044 16702593 62.721 4.798 4.028 19534874 62.820 4.442 3.843 36577780 62.835 3.842 3.842 2796504576 62.836 4.797 3.842 46957252 62.842 4.173 3.842 224414656 62.918 4.046 4.033 763909888 62.984 4.794 3.215 24158748 62.985 2.029 3.211 18863936 62.987 9.162 3.215 15255902 62.987 6.847 3.207 3264130 62.992 3.213 3.213 100113400 62.997 2.843 3.216 15094782 63.016 5.309 3.216 14746150 63.064 7.244 3.216 3419652 63.071 4.508 3.218 2190042 63.108 4.736 4.420 47560452 63.109 2.146 4.417 12546911 63.110 2.463 4.420 47770436 63.111 8.551 4.420 89698744 63.111 9.029 4.418 12894816 63.112 1.826 4.419 29748790 63.116 1.239 4.420 26364022 63.116 4.421 4.421 318332736 63.116 8.702 4.420 7317226 63.124 1.627 4.419 18569260 63.214 1.935 4.410 20188804 63.217 4.076 4.069 1388970624 63.221 2.779 4.077 6600140 63.262 4.588 4.073 13092553 63.323 3.613 4.080 5816081 63.334 4.794 4.073 68334568 63.337 8.659 4.073 19385790 63.343 9.156 4.073 52744004 63.347 4.387 4.072 163064112 63.566 3.603 4.192 20263736 63.577 1.951 4.194 37821236 63.585 7.294 4.193 21328506 63.589 2.261 4.193 72768624 63.591 8.291 4.192 124963088 63.591 8.291 4.192 124963088 63.715 4.196 4.193 840361536 63.756 1.758 4.194 93196208 63.766 3.084 4.195 6732390 63.899 2.238 4.387 130451816 63.899 7.750 4.388 21627834 63.901 4.388 4.388 921263360 63.901 1.866 4.387 76888576 63.909 3.679 4.387 18495638 63.914 1.724 4.386 22464578 64.226 1.453 4.520 10975351 64.247 3.836 4.520 7459188 64.247 9.159 4.519 8215410 64.255 3.834 4.256 4429168 64.256 1.299 4.519 18015618 64.260 4.521 4.262 36988528 64.263 4.250 4.520 44528712 64.274 7.800 4.517 16396490 64.276 4.522 4.521 42419016 64.281 7.399 4.521 16552681 64.988 4.377 4.374 454499680 65.003 2.222 4.375 90852960 65.009 8.860 4.374 9257416 65.011 3.280 4.372 13298873 65.012 1.897 4.374 78868336 65.017 4.796 4.375 33350834 65.028 3.989 4.377 10346000 65.031 8.309 4.373 6576609 65.032 3.516 4.372 8861007 65.058 4.568 4.205 11041277 65.072 7.941 4.201 7513186 65.106 4.204 4.203 397642784 65.108 0.753 4.204 66218508 65.121 1.957 4.203 78443056 65.133 7.080 4.204 10097562 65.139 3.949 4.203 15153348 65.165 0.422 4.210 7674252 65.194 9.616 4.202 9070573 65.842 0.793 3.836 41247840 65.842 7.795 3.836 7583732 65.842 2.185 3.837 41501936 65.845 8.735 3.839 17046060 65.846 4.244 3.836 15518393 65.851 1.047 3.836 41093256 65.853 1.276 3.837 93171632 65.869 7.962 3.841 6850311 65.876 4.521 3.837 14774063 66.050 3.827 3.825 973693120 66.431 8.707 3.283 5798146 66.432 7.066 3.288 11137870 66.435 1.986 3.289 21679200 66.438 3.287 3.286 287789824 66.438 1.042 3.287 109895760 66.440 8.383 3.286 25568806 66.442 7.240 3.288 14685098 66.449 6.923 3.289 11710204 66.449 2.127 3.287 26528336 66.653 1.030 3.510 8869651 66.701 2.189 3.513 7518978 66.747 1.845 3.510 41720836 66.760 7.943 3.512 15301461 66.762 3.512 3.510 353797824 66.767 0.719 3.510 100314904 66.768 8.934 3.510 6303269 66.776 8.167 3.512 23914232 66.783 1.354 3.511 12076918 66.925 8.730 3.506 2900458 67.801 0.423 3.203 25646588 67.821 1.323 3.203 11206509 67.828 3.201 3.202 526061440 67.831 0.769 3.202 130583648 67.842 7.079 3.203 38047952 67.845 7.877 3.200 10623196 67.849 1.852 3.203 54877688 67.854 8.337 3.204 11307407 67.876 8.550 3.203 10071401 69.805 4.799 4.167 14879516 69.814 8.005 4.164 9708944 69.835 1.136 4.165 48122184 69.853 4.169 4.167 315921344 69.858 8.325 4.169 6863803 70.874 5.341 4.463 8885111 70.879 4.790 4.463 16076648 70.885 2.135 4.463 18195262 70.896 7.115 4.463 15533422 70.899 1.855 4.463 21817142 70.899 1.427 4.463 72914704 70.899 2.881 4.463 5055608 70.900 4.465 4.463 197398384 70.903 4.276 4.463 50696940 70.910 1.617 4.462 12864216 70.924 2.307 3.907 5879362 70.946 5.838 3.908 11249426 70.969 1.021 3.911 29627634 70.970 8.819 3.908 7253585 70.971 6.900 3.912 19828494 70.973 4.794 3.910 24841048 70.976 1.486 3.911 74126080 70.978 7.558 3.911 36735752 70.979 3.914 3.911 275832288 70.986 8.645 3.912 23220590 70.989 4.662 3.909 25673904 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C 1 14705.883 . . . 16186 2 2 H 1 H 2 10000.000 . . . 16186 2 3 H 1 HC 1 12755.102 . . . 16186 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 6 $SPARKY . . 16186 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 16186 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 22 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY (arom)' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 114.399 9.914 7.410 5202450 114.527 7.412 7.409 81167016 114.528 7.616 7.618 81952864 114.530 7.171 7.411 15457329 114.537 10.310 7.618 5166068 114.567 6.880 7.621 7605332 114.961 0.844 5.672 5477214 115.000 4.236 5.668 13139052 115.002 1.880 5.668 7364778 115.007 4.800 5.670 11439541 115.008 1.030 5.666 10570064 115.021 5.669 5.671 134380928 115.023 8.937 5.659 4326870 115.970 6.372 6.039 5303108 116.103 4.794 6.039 15986924 116.134 1.057 6.031 3645288 116.139 6.038 6.036 118173440 116.145 6.179 6.036 27473876 116.197 1.255 6.035 12571283 116.360 1.259 6.395 3902060 116.439 6.395 6.388 89872480 116.768 4.796 6.393 19791902 116.780 1.031 6.394 12499165 116.786 6.396 6.392 174729008 116.818 6.714 6.392 31189354 116.852 6.041 6.393 7054680 116.894 1.257 6.395 7336292 116.939 6.836 6.510 5447154 117.037 7.046 6.738 6352720 117.152 6.397 6.395 105424080 117.243 6.745 6.328 5436502 117.287 6.046 6.395 3704588 117.290 1.030 6.388 6204304 117.453 3.591 6.668 3706390 117.551 0.439 6.517 6871836 117.948 1.697 6.517 7756878 117.960 0.438 6.513 11855225 117.970 6.841 6.513 43687240 117.996 3.587 6.663 6786977 118.014 2.042 6.668 6652323 118.015 1.407 6.669 9152635 118.051 7.015 6.672 43975116 118.055 0.919 6.671 11735426 118.114 4.796 6.729 16511724 118.126 7.038 6.736 60987776 118.343 6.324 6.325 170158656 118.389 4.795 6.324 15239665 120.225 4.465 7.111 6037644 120.228 3.923 7.122 3011372 120.238 2.135 7.114 3991850 120.240 4.797 7.121 13127855 120.262 3.386 7.119 3012442 120.268 8.556 7.100 5623013 120.276 7.849 7.848 7434812 120.471 6.855 6.844 8598502 120.719 4.456 7.111 4907088 120.756 2.140 7.111 5611724 120.762 4.794 7.114 8815939 120.893 7.286 6.851 5291418 120.916 7.847 7.846 15965295 120.934 6.851 6.847 12675352 120.951 7.850 6.666 7689078 120.969 6.661 7.844 9363475 121.024 6.671 6.666 18496508 121.074 0.721 6.666 3475249 122.250 6.958 6.971 5302976 122.283 7.378 7.124 3106248 122.386 0.886 7.126 6145758 122.673 0.864 7.117 4188998 123.851 7.149 7.136 8802563 124.467 3.181 7.141 3424196 124.521 1.562 7.143 5538372 124.528 0.892 6.895 3074595 124.560 7.145 7.145 67482392 124.563 9.923 7.142 11342134 124.591 -0.443 7.125 3323433 124.650 7.611 6.882 4964068 124.660 6.879 6.884 27859454 124.688 6.649 6.892 6476486 125.090 7.146 7.150 82942920 125.095 9.922 7.143 10488869 125.108 -0.449 7.142 4033061 125.701 10.302 7.389 3674133 126.253 10.308 7.390 27084266 126.255 7.387 7.388 165767136 126.264 4.999 7.386 9857578 126.471 3.269 7.380 3021420 126.738 10.305 7.391 25231918 126.745 7.386 7.388 167954128 126.750 4.998 7.388 8207525 127.007 10.308 7.473 9512701 127.021 1.109 7.492 2775158 127.025 3.351 7.478 4092890 127.026 7.470 7.472 49409232 127.061 3.004 7.471 11009797 127.078 2.865 7.474 9451528 127.477 3.008 7.474 9200971 127.492 7.470 7.474 46194224 127.500 2.867 7.474 9717336 127.500 10.310 7.472 9367941 127.838 6.331 6.329 70740360 127.849 1.326 6.331 13385528 127.852 6.947 6.316 3686890 128.280 1.065 7.077 19010456 128.630 7.064 7.065 152565920 128.751 6.604 7.065 6640022 129.601 6.442 6.431 5794372 130.101 4.427 6.757 3426372 130.178 3.929 6.760 4681736 130.213 2.970 6.764 4872934 130.215 6.324 6.759 17689774 130.227 6.761 6.759 72278072 130.262 5.499 6.754 6471450 130.366 4.804 6.754 3185147 130.376 1.241 7.066 3366616 130.384 1.321 6.435 3609584 130.447 1.447 7.067 4329426 130.481 7.060 7.062 276603328 130.484 6.611 7.062 33465202 130.686 0.347 6.443 4016825 130.689 1.350 7.237 3261016 130.705 6.438 6.435 48203868 130.870 1.336 6.913 2717952 130.904 1.052 6.926 7859424 130.988 1.353 7.231 3018188 131.028 6.916 7.233 11164999 131.098 7.234 7.234 100698784 131.124 1.063 7.234 16850042 131.192 2.187 7.235 4732285 131.224 3.151 6.938 5158614 131.731 1.271 6.707 2678417 131.772 1.036 6.919 8342618 131.804 3.180 6.930 4985822 131.819 3.257 6.607 3467546 131.859 8.052 6.905 3651186 131.863 6.907 6.910 97890432 131.872 1.483 6.900 7815467 131.911 1.241 6.600 3662708 131.948 2.305 6.898 9907052 132.009 1.342 6.907 5695426 132.092 2.219 6.609 8433375 132.101 1.435 6.611 5149182 132.152 3.402 6.601 4227728 132.158 8.051 6.907 3411276 132.176 2.862 6.710 12134989 132.178 3.987 6.715 10845546 132.179 4.750 6.608 9275420 132.185 6.605 6.608 220037360 132.199 7.057 6.608 50795064 132.230 3.186 6.713 10845759 132.235 6.712 6.712 146803728 132.248 1.803 6.607 9177179 132.256 6.397 6.714 31393066 132.301 1.031 6.198 3951315 132.329 4.521 6.195 9401077 132.332 6.780 6.192 4775506 132.359 1.036 6.716 10028099 132.400 3.714 6.192 8223424 132.467 3.071 6.192 7624932 132.484 6.191 6.194 89450712 132.509 6.046 6.194 27035346 132.729 4.801 6.842 2663534 133.146 0.441 6.841 6592385 133.147 0.015 6.842 3996898 133.164 1.717 6.842 10778013 133.175 6.511 6.842 30256466 133.183 4.463 6.839 6909248 133.193 2.642 6.847 9577670 133.214 2.466 6.840 8858964 133.260 7.039 7.040 354982688 133.262 6.723 7.037 53049268 133.264 9.486 7.015 6794382 133.325 3.215 7.020 8016173 133.387 4.806 7.022 13187423 133.462 2.262 7.017 9421736 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 'C arom' 1 5988.024 . . . 16186 3 2 H 1 H 2 10000.000 . . . 16186 3 3 H 1 HC 1 12755.102 . . . 16186 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 6 $SPARKY . . 16186 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 16186 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $NC_sample_in_D2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 8 _Spectral_peak_list.Experiment_name '4D CC NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 w4 Data Height 13.617 28.541 -0.085 0.944 -14472 13.617 28.908 1.625 0.676 -160341 13.617 24.724 1.322 0.707 -214979 13.617 28.876 1.617 0.099 -42593 13.617 28.876 1.617 0.099 -42593 13.617 28.908 1.625 0.676 -160341 13.617 32.864 1.539 0.055 -58480 13.617 32.864 1.539 0.055 -58480 13.617 32.799 1.548 0.547 -79381 13.617 32.864 1.539 0.055 -58480 13.617 32.775 1.541 0.613 -57649 13.617 27.832 0.943 0.091 -18351 13.617 33.986 0.768 0.769 -10395899 13.617 16.827 1.883 0.766 115199 13.617 19.106 4.774 0.773 64158 13.617 13.983 3.524 0.765 78747 13.617 30.578 0.710 0.764 208866 13.617 32.796 1.551 0.744 -56861 13.617 32.796 1.551 0.744 -56861 13.617 16.344 0.219 0.773 -36233 13.617 17.288 0.431 0.754 31151 13.617 13.617 2.025 0.767 -69780 13.617 28.116 0.863 0.771 131898 13.617 23.856 0.739 0.742 -2140267 13.617 17.611 0.864 0.770 395401 13.617 18.724 0.694 0.776 260466 13.617 18.555 1.128 0.766 58335 13.617 19.073 1.353 0.734 -104509 13.617 16.059 0.770 0.764 71642 13.617 18.386 0.126 0.738 -131934 13.617 21.770 1.710 0.760 -52475 13.617 21.421 1.546 0.725 18636 13.617 23.601 1.492 0.762 -32443 13.617 25.278 3.523 0.764 71944 13.617 26.150 3.194 0.758 -21147 13.617 30.577 1.770 0.765 158687 13.617 31.791 2.708 0.728 -11250 13.617 31.257 2.795 0.776 16769 13.617 31.244 2.785 0.780 17480 13.617 31.029 2.549 0.757 16256 13.617 29.316 3.098 3.120 -615707 13.617 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22.469 1.413 1.064 50670 30.487 22.538 1.432 1.198 53103 30.488 30.494 1.162 1.198 180805 30.503 22.457 1.425 1.091 48832 30.504 26.312 0.929 1.189 42028 30.547 21.986 1.722 0.680 -21409 30.558 13.617 0.758 0.689 157713 30.562 25.247 3.521 0.691 50550 30.567 30.522 1.770 0.692 100212 30.572 21.842 1.705 0.699 -15333 30.573 25.167 0.844 0.705 46928 30.573 25.167 0.844 0.705 46928 30.575 30.571 0.695 0.696 120048 30.581 16.785 1.672 0.683 -29809 30.582 30.559 0.689 1.770 115744 30.582 30.559 0.689 1.770 115744 30.600 24.790 0.841 1.047 25452 30.607 17.703 0.867 0.684 46367 30.629 19.320 3.856 1.933 97608 30.663 24.884 0.716 1.071 19700 30.677 27.097 1.601 1.814 539521 30.703 24.926 0.873 1.499 -49475 30.712 32.746 2.158 2.566 66224 30.718 21.616 0.809 1.778 44302 30.743 23.469 0.766 0.687 27569 30.756 30.752 2.542 2.548 3640772 30.763 27.051 1.652 1.900 188948 30.810 18.933 3.856 1.791 61224 30.841 30.779 3.671 1.088 -30599 30.873 32.424 2.544 2.551 114234 31.011 25.003 1.452 1.644 86154 31.017 23.545 0.785 2.535 25237 31.026 16.935 4.009 1.494 47150 31.030 14.448 3.061 1.498 112802 31.059 26.544 1.376 1.501 212796 31.073 31.065 1.501 1.498 852355 31.080 24.959 3.298 2.129 45084 31.091 23.225 3.085 1.495 -113917 31.107 31.103 5.501 5.504 548527 31.115 32.817 5.598 5.506 116562 31.138 22.556 0.612 2.794 29717 31.139 20.041 2.362 5.503 75701 31.144 20.012 2.755 5.504 80408 31.145 16.809 1.876 2.796 40056 31.158 31.143 1.072 2.132 66841 31.158 31.107 2.793 2.555 280690 31.165 31.156 2.557 2.808 293819 31.190 24.751 0.680 0.685 -74898 31.193 16.784 1.891 2.551 69217 31.205 31.210 2.803 2.806 478962 31.218 14.261 5.622 2.924 30933 31.225 13.834 0.954 2.134 103060 31.227 13.837 0.953 1.073 98167 31.243 31.185 2.134 1.071 58038 31.256 17.066 1.057 2.136 52931 31.277 28.851 -0.140 2.138 -16041 31.367 17.276 1.036 1.080 52384 31.367 17.276 1.036 1.080 52384 31.367 17.276 1.036 1.080 52384 31.375 24.933 3.292 1.064 29823 31.408 21.399 0.754 1.056 13801 31.417 23.667 1.495 1.493 -44245 31.440 20.071 0.426 0.429 -80219 31.509 24.681 0.088 1.078 -26287 31.575 17.333 1.029 1.028 53028 31.597 29.126 1.657 1.632 -177429 31.611 13.822 4.743 1.624 65069 31.620 27.890 1.638 1.612 181372 31.629 27.984 1.271 1.606 84015 31.634 31.642 4.421 4.425 336246 31.641 22.306 3.082 1.609 -97242 31.644 21.719 0.171 7.412 -97116 31.649 13.960 5.620 2.912 31647 31.653 24.719 1.313 0.697 -28816 31.688 31.686 0.412 7.409 656570 31.701 22.119 4.199 2.262 138705 31.715 31.713 1.630 1.625 606407 31.739 15.484 4.069 1.730 31394 31.747 28.902 1.616 2.249 -82451 31.754 25.053 0.864 1.495 -74858 31.759 31.755 2.253 1.716 212383 31.759 16.278 0.216 7.486 118053 31.773 21.085 0.866 1.492 -77036 31.776 29.874 3.629 1.712 -55706 31.781 31.783 1.753 2.259 233716 31.790 18.569 3.735 1.720 118399 31.809 27.565 1.938 1.720 128821 31.815 27.802 1.076 0.432 33109 31.816 22.142 4.194 1.727 94050 31.843 24.877 0.863 1.024 39792 31.843 24.877 0.863 1.024 39792 31.852 21.082 2.873 2.228 32742 31.860 29.892 3.626 1.734 -55596 31.875 29.313 3.128 2.465 -39280 31.905 15.382 3.618 0.435 90703 31.908 23.571 0.095 0.434 88652 31.911 31.911 0.399 0.433 309511 31.919 33.531 4.494 1.713 -74730 31.938 23.611 -0.305 0.432 47312 31.938 31.947 2.472 2.472 557232 31.944 27.727 0.907 0.431 40727 31.981 18.277 4.618 4.100 -39618 31.986 31.982 1.887 1.890 3882907 31.990 31.914 0.913 1.516 46398 31.990 18.068 1.727 1.505 43977 31.993 28.208 1.997 2.466 62883 31.994 31.992 1.830 2.462 138802 31.998 28.320 2.142 2.471 53983 32.005 27.166 1.957 2.244 290946 32.017 32.013 1.735 1.726 2009851 32.019 32.064 0.736 0.734 186804 32.021 32.023 4.103 4.103 800505 32.023 22.357 4.195 0.742 50918 32.023 32.005 1.781 0.733 121151 32.067 29.684 3.638 2.260 -48080 32.069 28.931 1.629 1.512 102687 32.085 32.086 0.482 7.486 539220 32.088 21.880 1.343 5.594 -217633 32.094 24.776 1.302 5.594 -103810 32.098 21.612 4.431 2.466 76553 32.099 32.100 2.253 2.255 1430119 32.105 32.110 2.246 2.249 1360110 32.116 20.212 -0.021 7.487 -73369 32.129 32.721 4.961 5.592 48785 32.154 29.050 1.634 1.725 378358 32.154 29.050 1.634 1.725 378358 32.163 22.754 4.211 1.848 46603 32.173 32.243 3.016 3.024 53780 32.183 20.430 3.537 1.096 123866 32.201 32.195 1.095 1.092 341463 32.223 27.041 1.998 1.089 55109 32.233 22.780 1.114 1.089 77645 32.240 26.947 1.856 1.095 59541 32.250 32.227 1.869 2.242 570078 32.272 16.882 2.919 4.725 182266 32.278 32.233 3.361 3.053 60305 32.278 32.233 3.361 3.053 60305 32.289 32.258 2.228 1.869 594713 32.297 17.588 0.868 5.682 48884 32.316 16.186 4.239 5.684 95195 32.328 32.342 5.674 5.683 687375 32.329 13.934 4.577 3.017 33318 32.331 28.750 3.949 4.763 56328 32.335 16.807 1.887 5.684 111977 32.335 16.679 1.029 5.685 58487 32.343 32.331 4.734 4.739 3932452 32.347 22.344 4.387 1.867 137613 32.353 22.350 4.385 2.242 233253 32.364 26.711 1.733 2.245 65703 32.386 13.798 2.301 2.461 -38636 32.453 24.853 1.442 1.786 491165 32.455 24.948 1.416 1.740 467807 32.607 32.528 4.692 1.777 -68420 32.607 24.940 1.399 1.645 470255 32.632 32.598 5.597 5.599 607722 32.638 21.275 2.900 1.855 -50303 32.661 13.617 1.625 5.340 64073 32.664 32.658 1.758 1.771 2831472 32.687 17.274 3.892 1.627 140788 32.696 14.879 4.239 1.767 148479 32.723 32.728 5.331 5.338 299637 32.738 32.740 4.961 4.964 448595 32.751 14.205 5.007 5.337 -86954 32.771 24.816 1.306 4.964 -150070 32.796 14.897 4.169 1.652 103637 32.800 28.398 3.772 4.756 -33303 32.881 32.873 1.652 1.650 2957429 32.888 28.903 1.623 1.750 444636 32.935 32.894 1.550 5.589 -60901 32.970 32.857 1.549 5.227 -68934 32.976 16.227 0.213 5.666 -43275 32.980 16.499 2.243 1.626 46094 32.984 29.032 1.649 1.635 -474286 32.988 32.859 1.551 5.183 -68391 32.989 32.822 1.545 5.343 -69043 33.012 16.274 0.219 5.568 -38166 33.020 29.227 3.148 2.996 90162 33.025 17.138 1.036 1.648 -93851 33.174 16.317 5.556 5.264 -95873 33.206 24.943 1.401 0.772 -72796 33.228 18.407 0.127 5.264 -102460 33.238 33.191 1.753 1.745 1958041 33.262 23.618 0.750 5.255 -146633 33.296 33.299 5.212 5.209 565891 33.304 18.859 4.249 5.202 -98670 33.317 23.610 0.738 5.214 -147337 33.330 25.139 1.378 5.209 47648 33.359 25.300 1.656 5.203 32804 33.368 20.059 2.595 4.484 57395 33.453 13.829 1.905 0.760 22559 33.506 17.991 1.685 0.747 70729 33.513 27.266 1.011 0.744 -235952 33.534 33.460 1.240 1.232 71399 33.563 33.550 1.798 1.827 1505994 33.571 29.896 3.993 4.488 129795 33.604 27.701 1.973 4.483 -37233 33.617 14.136 4.401 1.831 155901 33.618 14.148 4.407 1.744 141720 33.645 33.693 0.764 6.393 -49438 33.659 26.648 0.711 0.771 -141394 33.662 33.716 0.773 6.370 -47145 33.666 33.670 4.464 4.464 2111379 33.688 33.686 0.764 5.244 -49658 33.697 21.214 3.835 4.456 -48451 33.724 27.172 1.473 4.458 -75827 33.734 16.681 1.882 6.371 16470 33.738 25.073 0.900 4.456 -83687 33.740 22.074 1.706 4.457 76596 33.742 31.784 1.904 0.773 -94763 33.747 22.441 0.790 4.456 -400248 33.747 16.516 4.004 0.771 -58187 33.792 28.027 0.848 0.773 -234566 33.801 22.036 1.546 4.457 90132 33.986 32.820 1.529 5.193 56314 33.986 18.593 1.115 1.721 201172 33.986 18.704 1.255 6.402 81035 33.986 16.728 1.030 6.403 82258 33.986 28.764 -0.280 6.402 -361316 33.986 32.824 1.529 6.365 102370 33.986 33.986 6.399 6.403 1328617 33.986 33.295 6.048 6.405 79161 33.986 25.282 3.521 0.763 -75927 33.986 19.103 4.773 0.772 -95679 33.986 13.828 4.616 0.758 60152 33.986 15.408 4.172 0.768 -50842 33.986 16.863 1.659 0.765 155787 33.986 16.310 2.039 0.773 132867 33.986 13.617 2.025 0.767 65541 33.986 17.579 0.857 0.770 -495530 33.986 18.731 0.694 0.774 -387961 33.986 23.871 0.739 0.742 1656881 33.986 25.157 0.896 0.762 -257857 33.986 21.755 1.710 0.761 60340 33.986 21.963 1.438 0.761 63616 33.986 30.509 0.717 0.766 -225494 33.986 30.576 1.771 0.765 -174289 33.986 18.378 0.126 0.737 101207 33.986 19.079 1.354 0.734 75728 33.986 32.835 1.546 0.746 44465 33.986 14.276 0.098 0.718 82993 33.986 13.825 4.620 0.716 60126 33.986 21.144 2.565 6.400 -23352 33.986 20.181 3.995 6.409 22148 33.986 16.193 4.240 6.402 32524 33.986 17.695 2.205 6.400 -27806 33.986 18.053 2.884 6.404 -15283 33.986 17.039 1.888 6.411 20153 33.986 23.636 0.092 6.396 29148 33.986 27.819 0.921 6.405 40961 33.986 31.823 0.405 6.403 21968 33.986 14.646 0.350 0.767 -30327 33.986 18.378 0.126 0.737 101207 33.986 20.742 2.900 0.771 49142 33.986 18.378 0.126 0.737 101207 33.986 22.514 0.582 0.766 -82510 33.986 31.296 2.788 0.767 -21156 33.986 30.992 2.550 0.762 -18406 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C 1 3121.342 . . . 16186 4 2 C 13 C 2 3121.342 . . . 16186 4 3 H 1 H 2 4197.272 . . . 16186 4 4 H 1 H 1 8000.000 . . . 16186 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 6 $SPARKY . . 16186 4 stop_ save_