data_35015 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 35015 _Entry.Title ; tbPEX38(65-134) in complex with tbPEX19(1-50) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-08-22 _Entry.Accession_date 2025-08-22 _Entry.Last_release_date 2025-10-08 _Entry.Original_release_date 2025-10-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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.ORCID _Entry_author.Entry_ID 1 S. Gaussmann S. . . . 35015 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 35015 PEX19 . 35015 PEX38 . 35015 Peroxin . 35015 'Peroxisome Biogenesis' . 35015 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 35015 spectral_peak_list 1 35015 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 407 35015 '15N chemical shifts' 135 35015 '1H chemical shifts' 848 35015 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-06-25 . original BMRB . 35015 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9SGX 'BMRB Entry Tracking System' 35015 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 35015 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; PEX38 is a novel essential peroxisomal membrane protein import co-receptor of kinetoplastids. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Krishna C. K. . . 35015 1 2 S. Gaussmann S. . . . 35015 1 3 H. Das H. . . . 35015 1 4 M. Jung M. . . . 35015 1 5 S. Oeljeklaus S. . . . 35015 1 6 M. Sattler M. . . . 35015 1 7 B. Warscheid B. . . . 35015 1 8 V. Kalel V. C. . . 35015 1 9 R. Erdmann R. . . . 35015 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 35015 _Assembly.ID 1 _Assembly.Name 'Peroxin 19, STI1 domain-containing protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A B yes . . . . . . 35015 1 2 unit_2 2 $entity_2 B A yes . . . . . . 35015 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 35015 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSHPDNDADLDALLDDCLNT MDEQERIHEEKAQERAATRA VDQKSATAELSGGY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5983.396 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'extended with SGGY' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 35015 1 2 . SER . 35015 1 3 . HIS . 35015 1 4 . PRO . 35015 1 5 . ASP . 35015 1 6 . ASN . 35015 1 7 . ASP . 35015 1 8 . ALA . 35015 1 9 . ASP . 35015 1 10 . LEU . 35015 1 11 . ASP . 35015 1 12 . ALA . 35015 1 13 . LEU . 35015 1 14 . LEU . 35015 1 15 . ASP . 35015 1 16 . ASP . 35015 1 17 . CYS . 35015 1 18 . LEU . 35015 1 19 . ASN . 35015 1 20 . THR . 35015 1 21 . MET . 35015 1 22 . ASP . 35015 1 23 . GLU . 35015 1 24 . GLN . 35015 1 25 . GLU . 35015 1 26 . ARG . 35015 1 27 . ILE . 35015 1 28 . HIS . 35015 1 29 . GLU . 35015 1 30 . GLU . 35015 1 31 . LYS . 35015 1 32 . ALA . 35015 1 33 . GLN . 35015 1 34 . GLU . 35015 1 35 . ARG . 35015 1 36 . ALA . 35015 1 37 . ALA . 35015 1 38 . THR . 35015 1 39 . ARG . 35015 1 40 . ALA . 35015 1 41 . VAL . 35015 1 42 . ASP . 35015 1 43 . GLN . 35015 1 44 . LYS . 35015 1 45 . SER . 35015 1 46 . ALA . 35015 1 47 . THR . 35015 1 48 . ALA . 35015 1 49 . GLU . 35015 1 50 . LEU . 35015 1 51 . SER . 35015 1 52 . GLY . 35015 1 53 . GLY . 35015 1 54 . TYR . 35015 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 35015 1 . SER 2 2 35015 1 . HIS 3 3 35015 1 . PRO 4 4 35015 1 . ASP 5 5 35015 1 . ASN 6 6 35015 1 . ASP 7 7 35015 1 . ALA 8 8 35015 1 . ASP 9 9 35015 1 . LEU 10 10 35015 1 . ASP 11 11 35015 1 . ALA 12 12 35015 1 . LEU 13 13 35015 1 . LEU 14 14 35015 1 . ASP 15 15 35015 1 . ASP 16 16 35015 1 . CYS 17 17 35015 1 . LEU 18 18 35015 1 . ASN 19 19 35015 1 . THR 20 20 35015 1 . MET 21 21 35015 1 . ASP 22 22 35015 1 . GLU 23 23 35015 1 . GLN 24 24 35015 1 . GLU 25 25 35015 1 . ARG 26 26 35015 1 . ILE 27 27 35015 1 . HIS 28 28 35015 1 . GLU 29 29 35015 1 . GLU 30 30 35015 1 . LYS 31 31 35015 1 . ALA 32 32 35015 1 . GLN 33 33 35015 1 . GLU 34 34 35015 1 . ARG 35 35 35015 1 . ALA 36 36 35015 1 . ALA 37 37 35015 1 . THR 38 38 35015 1 . ARG 39 39 35015 1 . ALA 40 40 35015 1 . VAL 41 41 35015 1 . ASP 42 42 35015 1 . GLN 43 43 35015 1 . LYS 44 44 35015 1 . SER 45 45 35015 1 . ALA 46 46 35015 1 . THR 47 47 35015 1 . ALA 48 48 35015 1 . GLU 49 49 35015 1 . LEU 50 50 35015 1 . SER 51 51 35015 1 . GLY 52 52 35015 1 . GLY 53 53 35015 1 . TYR 54 54 35015 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 35015 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TGVAVLPAFQQALNEMKKSV SIQQDDKFNAFLDLLRKKGY FAGAEEGSEEYNSRLEKARE KFEKRNNPYE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8086.023 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 65 THR . 35015 2 2 66 GLY . 35015 2 3 67 VAL . 35015 2 4 68 ALA . 35015 2 5 69 VAL . 35015 2 6 70 LEU . 35015 2 7 71 PRO . 35015 2 8 72 ALA . 35015 2 9 73 PHE . 35015 2 10 74 GLN . 35015 2 11 75 GLN . 35015 2 12 76 ALA . 35015 2 13 77 LEU . 35015 2 14 78 ASN . 35015 2 15 79 GLU . 35015 2 16 80 MET . 35015 2 17 81 LYS . 35015 2 18 82 LYS . 35015 2 19 83 SER . 35015 2 20 84 VAL . 35015 2 21 85 SER . 35015 2 22 86 ILE . 35015 2 23 87 GLN . 35015 2 24 88 GLN . 35015 2 25 89 ASP . 35015 2 26 90 ASP . 35015 2 27 91 LYS . 35015 2 28 92 PHE . 35015 2 29 93 ASN . 35015 2 30 94 ALA . 35015 2 31 95 PHE . 35015 2 32 96 LEU . 35015 2 33 97 ASP . 35015 2 34 98 LEU . 35015 2 35 99 LEU . 35015 2 36 100 ARG . 35015 2 37 101 LYS . 35015 2 38 102 LYS . 35015 2 39 103 GLY . 35015 2 40 104 TYR . 35015 2 41 105 PHE . 35015 2 42 106 ALA . 35015 2 43 107 GLY . 35015 2 44 108 ALA . 35015 2 45 109 GLU . 35015 2 46 110 GLU . 35015 2 47 111 GLY . 35015 2 48 112 SER . 35015 2 49 113 GLU . 35015 2 50 114 GLU . 35015 2 51 115 TYR . 35015 2 52 116 ASN . 35015 2 53 117 SER . 35015 2 54 118 ARG . 35015 2 55 119 LEU . 35015 2 56 120 GLU . 35015 2 57 121 LYS . 35015 2 58 122 ALA . 35015 2 59 123 ARG . 35015 2 60 124 GLU . 35015 2 61 125 LYS . 35015 2 62 126 PHE . 35015 2 63 127 GLU . 35015 2 64 128 LYS . 35015 2 65 129 ARG . 35015 2 66 130 ASN . 35015 2 67 131 ASN . 35015 2 68 132 PRO . 35015 2 69 133 TYR . 35015 2 70 134 GLU . 35015 2 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 . THR 1 1 35015 2 . GLY 2 2 35015 2 . VAL 3 3 35015 2 . ALA 4 4 35015 2 . VAL 5 5 35015 2 . LEU 6 6 35015 2 . PRO 7 7 35015 2 . ALA 8 8 35015 2 . PHE 9 9 35015 2 . GLN 10 10 35015 2 . GLN 11 11 35015 2 . ALA 12 12 35015 2 . LEU 13 13 35015 2 . ASN 14 14 35015 2 . GLU 15 15 35015 2 . MET 16 16 35015 2 . LYS 17 17 35015 2 . LYS 18 18 35015 2 . SER 19 19 35015 2 . VAL 20 20 35015 2 . SER 21 21 35015 2 . ILE 22 22 35015 2 . GLN 23 23 35015 2 . GLN 24 24 35015 2 . ASP 25 25 35015 2 . ASP 26 26 35015 2 . LYS 27 27 35015 2 . PHE 28 28 35015 2 . ASN 29 29 35015 2 . ALA 30 30 35015 2 . PHE 31 31 35015 2 . LEU 32 32 35015 2 . ASP 33 33 35015 2 . LEU 34 34 35015 2 . LEU 35 35 35015 2 . ARG 36 36 35015 2 . LYS 37 37 35015 2 . LYS 38 38 35015 2 . GLY 39 39 35015 2 . TYR 40 40 35015 2 . PHE 41 41 35015 2 . ALA 42 42 35015 2 . GLY 43 43 35015 2 . ALA 44 44 35015 2 . GLU 45 45 35015 2 . GLU 46 46 35015 2 . GLY 47 47 35015 2 . SER 48 48 35015 2 . GLU 49 49 35015 2 . GLU 50 50 35015 2 . TYR 51 51 35015 2 . ASN 52 52 35015 2 . SER 53 53 35015 2 . ARG 54 54 35015 2 . LEU 55 55 35015 2 . GLU 56 56 35015 2 . LYS 57 57 35015 2 . ALA 58 58 35015 2 . ARG 59 59 35015 2 . GLU 60 60 35015 2 . LYS 61 61 35015 2 . PHE 62 62 35015 2 . GLU 63 63 35015 2 . LYS 64 64 35015 2 . ARG 65 65 35015 2 . ASN 66 66 35015 2 . ASN 67 67 35015 2 . PRO 68 68 35015 2 . TYR 69 69 35015 2 . GLU 70 70 35015 2 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 35015 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 5702 organism . 'Trypanosoma brucei brucei' 'Trypanosoma brucei brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . 35015 1 2 2 $entity_2 . 5702 organism . 'Trypanosoma brucei brucei' 'Trypanosoma brucei brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . 'Tb06.4F7.320, Tb927.6.4000' . 35015 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 35015 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 35015 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 35015 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 35015 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 400 uM [U-100% 15N] tbPEX19, 1000 uM tbPEX38, 20 mM sodium phosphate, 100 mM sodium chloride, 1 mM dithiothreitol, 90% H2O/10% D2O ; _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 tbPEX19 '[U-100% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 35015 1 2 tbPEX38 'natural abundance' . . 2 $entity_2 . . 1000 . . uM . . . . 35015 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 35015 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 35015 1 5 dithiothreitol 'natural abundance' . . . . . . 1 . . mM . . . . 35015 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 35015 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 400 uM [U-100% 13C; U-100% 15N] tbPEX19, 1000 mM tbPEX38, 20 mM sodium phosphate, 100 mM sodium chloride, 1 mM dithiothreitol, 100% D2O ; _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 tbPEX19 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 35015 2 2 tbPEX38 'natural abundance' . . 2 $entity_2 . . 1000 . . mM . . . . 35015 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 35015 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 35015 2 5 dithiothreitol 'natural abundance' . . . . . . 1 . . mM . . . . 35015 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 35015 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-100% 15N] tbPEX38, 800 uM tbPEX19, 20 mM sodium phosphate, 100 mM sodium chloride, 1 mM dithiothreitol, 90% H2O/10% D2O ; _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 tbPEX19 'natural abundance' . . 1 $entity_1 . . 800 . . uM . . . . 35015 3 2 tbPEX38 '[U-100% 15N]' . . 2 $entity_2 . . 300 . . uM . . . . 35015 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 35015 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 35015 3 5 dithiothreitol 'natural abundance' . . . . . . 1 . . mM . . . . 35015 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 35015 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-100% 13C; U-100% 15N] tbPEX38, 800 uM tbPEX19, 20 mM sodium phosphate, 100 mM sodium chloride, 1 mM dithiothreitol, 100% D2O ; _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 tbPEX19 'natural abundance' . . 1 $entity_1 . . 800 . . uM . . . . 35015 4 2 tbPEX38 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 300 . . uM . . . . 35015 4 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 35015 4 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 35015 4 5 dithiothreitol 'natural abundance' . . . . . . 1 . . mM . . . . 35015 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 35015 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 400 uM [U-100% 13C; U-100% 15N] tbPEX19, 1000 mM tbPEX38, 20 mM sodium phosphate, 100 mM sodium chloride, 1 mM dithiothreitol, 90% H2O/10% D2O ; _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 tbPEX19 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 35015 5 2 tbPEX38 'natural abundance' . . 2 $entity_2 . . 1000 . . mM . . . . 35015 5 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 35015 5 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 35015 5 5 dithiothreitol 'natural abundance' . . . . . . 1 . . mM . . . . 35015 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 35015 _Sample.ID 6 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-100% 13C; U-100% 15N] tbPEX38, 800 uM tbPEX19, 20 mM sodium phosphate, 100 mM sodium chloride, 1 mM dithiothreitol, 90% H2O/10% D2O ; _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 tbPEX19 'natural abundance' . . 1 $entity_1 . . 800 . . uM . . . . 35015 6 2 tbPEX38 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 300 . . uM . . . . 35015 6 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 35015 6 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 35015 6 5 dithiothreitol 'natural abundance' . . . . . . 1 . . mM . . . . 35015 6 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 35015 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.22 . mM 35015 1 pH 6.5 . pH 35015 1 pressure 1 . atm 35015 1 temperature 298 . K 35015 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 35015 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 35015 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 35015 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 35015 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken, Boucher et al. 2005' . . 35015 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 35015 2 'peak picking' . 35015 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 35015 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.98.15 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 35015 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 35015 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 35015 _Software.ID 4 _Software.Type . _Software.Name Amber _Software.Version 20 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 35015 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 35015 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 35015 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 35015 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 35015 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1200 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 35015 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 900 . . . 35015 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 950 . . . 35015 1 3 NMR_spectrometer_3 Bruker 'AVANCE NEO' . 1200 . . . 35015 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 35015 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 35015 1 2 '3D HNCO' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 35015 1 3 '3D H(CCO)NH' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 35015 1 4 '3D HNCACB' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 35015 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 35015 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 35015 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35015 1 8 '3D HCACO' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35015 1 9 '3D HNCO' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35015 1 10 '3D H(CCO)NH' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35015 1 11 '3D HNCACB' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35015 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35015 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35015 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35015 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 35015 1 16 '3D HCCH-TOCSY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35015 1 17 '3D HCACO' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 35015 1 18 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35015 1 19 '3D HCCH-TOCSY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 35015 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 35015 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal indirect 1 . . . . . 35015 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 35015 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 35015 1 2 '3D HNCO' . . . 35015 1 3 '3D H(CCO)NH' . . . 35015 1 4 '3D HNCACB' . . . 35015 1 5 '2D 1H-13C HSQC' . . . 35015 1 6 '3D 1H-15N NOESY' . . . 35015 1 7 '3D 1H-13C NOESY' . . . 35015 1 8 '3D HCACO' . . . 35015 1 9 '3D HNCO' . . . 35015 1 10 '3D H(CCO)NH' . . . 35015 1 11 '3D HNCACB' . . . 35015 1 12 '2D 1H-13C HSQC aliphatic' . . . 35015 1 13 '2D 1H-15N HSQC' . . . 35015 1 14 '3D 1H-15N NOESY' . . . 35015 1 15 '3D 1H-13C NOESY' . . . 35015 1 16 '3D HCCH-TOCSY' . . . 35015 1 17 '3D HCACO' . . . 35015 1 18 '2D 1H-13C HSQC aromatic' . . . 35015 1 19 '3D HCCH-TOCSY' . . . 35015 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.102 0.020 . 1 . . . . B 1 MET HA . 35015 1 2 . 1 . 1 1 1 MET HB2 H 1 2.129 0.020 . 2 . . . . B 1 MET HB2 . 35015 1 3 . 1 . 1 1 1 MET HB3 H 1 2.129 0.020 . 2 . . . . B 1 MET HB3 . 35015 1 4 . 1 . 1 1 1 MET HG2 H 1 2.576 0.020 . 2 . . . . B 1 MET HG2 . 35015 1 5 . 1 . 1 1 1 MET HG3 H 1 2.515 0.020 . 2 . . . . B 1 MET HG3 . 35015 1 6 . 1 . 1 1 1 MET HE1 H 1 2.089 0.020 . 1 . . . . B 1 MET HE1 . 35015 1 7 . 1 . 1 1 1 MET HE2 H 1 2.089 0.020 . 1 . . . . B 1 MET HE2 . 35015 1 8 . 1 . 1 1 1 MET HE3 H 1 2.089 0.020 . 1 . . . . B 1 MET HE3 . 35015 1 9 . 1 . 1 1 1 MET CA C 13 55.072 0.300 . 1 . . . . B 1 MET CA . 35015 1 10 . 1 . 1 1 1 MET CB C 13 33.105 0.300 . 1 . . . . B 1 MET CB . 35015 1 11 . 1 . 1 1 1 MET CG C 13 30.894 0.300 . 1 . . . . B 1 MET CG . 35015 1 12 . 1 . 1 1 1 MET CE C 13 16.854 0.300 . 1 . . . . B 1 MET CE . 35015 1 13 . 1 . 1 2 2 SER HA H 1 4.474 0.020 . 1 . . . . B 2 SER HA . 35015 1 14 . 1 . 1 2 2 SER HB2 H 1 3.808 0.020 . 2 . . . . B 2 SER HB2 . 35015 1 15 . 1 . 1 2 2 SER HB3 H 1 3.808 0.020 . 2 . . . . B 2 SER HB3 . 35015 1 16 . 1 . 1 2 2 SER CA C 13 58.304 0.300 . 1 . . . . B 2 SER CA . 35015 1 17 . 1 . 1 2 2 SER CB C 13 63.734 0.300 . 1 . . . . B 2 SER CB . 35015 1 18 . 1 . 1 3 3 HIS H H 1 8.506 0.020 . 1 . . . . B 3 HIS H . 35015 1 19 . 1 . 1 3 3 HIS HA H 1 4.936 0.020 . 1 . . . . B 3 HIS HA . 35015 1 20 . 1 . 1 3 3 HIS HB2 H 1 3.093 0.020 . 2 . . . . B 3 HIS HB2 . 35015 1 21 . 1 . 1 3 3 HIS HB3 H 1 3.195 0.020 . 2 . . . . B 3 HIS HB3 . 35015 1 22 . 1 . 1 3 3 HIS HD2 H 1 7.218 0.020 . 1 . . . . B 3 HIS HD2 . 35015 1 23 . 1 . 1 3 3 HIS HE1 H 1 8.316 0.020 . 1 . . . . B 3 HIS HE1 . 35015 1 24 . 1 . 1 3 3 HIS CA C 13 53.830 0.300 . 1 . . . . B 3 HIS CA . 35015 1 25 . 1 . 1 3 3 HIS CB C 13 29.593 0.003 . 1 . . . . B 3 HIS CB . 35015 1 26 . 1 . 1 3 3 HIS CD2 C 13 120.227 0.300 . 1 . . . . B 3 HIS CD2 . 35015 1 27 . 1 . 1 3 3 HIS CE1 C 13 136.981 0.300 . 1 . . . . B 3 HIS CE1 . 35015 1 28 . 1 . 1 3 3 HIS N N 15 121.305 0.500 . 1 . . . . B 3 HIS N . 35015 1 29 . 1 . 1 4 4 PRO HA H 1 4.437 0.020 . 1 . . . . B 4 PRO HA . 35015 1 30 . 1 . 1 4 4 PRO HB2 H 1 1.914 0.020 . 2 . . . . B 4 PRO HB2 . 35015 1 31 . 1 . 1 4 4 PRO HB3 H 1 2.234 0.020 . 2 . . . . B 4 PRO HB3 . 35015 1 32 . 1 . 1 4 4 PRO HG2 H 1 1.965 0.013 . 2 . . . . B 4 PRO HG2 . 35015 1 33 . 1 . 1 4 4 PRO HG3 H 1 1.965 0.013 . 2 . . . . B 4 PRO HG3 . 35015 1 34 . 1 . 1 4 4 PRO HD2 H 1 3.532 0.020 . 2 . . . . B 4 PRO HD2 . 35015 1 35 . 1 . 1 4 4 PRO HD3 H 1 3.699 0.020 . 2 . . . . B 4 PRO HD3 . 35015 1 36 . 1 . 1 4 4 PRO CA C 13 63.545 0.300 . 1 . . . . B 4 PRO CA . 35015 1 37 . 1 . 1 4 4 PRO CB C 13 32.203 0.002 . 1 . . . . B 4 PRO CB . 35015 1 38 . 1 . 1 4 4 PRO CG C 13 27.495 0.300 . 1 . . . . B 4 PRO CG . 35015 1 39 . 1 . 1 4 4 PRO CD C 13 50.706 0.300 . 1 . . . . B 4 PRO CD . 35015 1 40 . 1 . 1 5 5 ASP H H 1 8.751 0.020 . 1 . . . . B 5 ASP H . 35015 1 41 . 1 . 1 5 5 ASP HA H 1 4.619 0.020 . 1 . . . . B 5 ASP HA . 35015 1 42 . 1 . 1 5 5 ASP HB2 H 1 2.625 0.020 . 2 . . . . B 5 ASP HB2 . 35015 1 43 . 1 . 1 5 5 ASP HB3 H 1 2.701 0.020 . 2 . . . . B 5 ASP HB3 . 35015 1 44 . 1 . 1 5 5 ASP CA C 13 54.550 0.300 . 1 . . . . B 5 ASP CA . 35015 1 45 . 1 . 1 5 5 ASP CB C 13 41.239 0.013 . 1 . . . . B 5 ASP CB . 35015 1 46 . 1 . 1 5 5 ASP N N 15 120.898 0.500 . 1 . . . . B 5 ASP N . 35015 1 47 . 1 . 1 6 6 ASN H H 1 8.224 0.020 . 1 . . . . B 6 ASN H . 35015 1 48 . 1 . 1 6 6 ASN HA H 1 4.715 0.020 . 1 . . . . B 6 ASN HA . 35015 1 49 . 1 . 1 6 6 ASN HB2 H 1 2.850 0.020 . 2 . . . . B 6 ASN HB2 . 35015 1 50 . 1 . 1 6 6 ASN HB3 H 1 2.812 0.020 . 2 . . . . B 6 ASN HB3 . 35015 1 51 . 1 . 1 6 6 ASN HD21 H 1 6.840 0.020 . 2 . . . . B 6 ASN HD21 . 35015 1 52 . 1 . 1 6 6 ASN HD22 H 1 7.629 0.020 . 2 . . . . B 6 ASN HD22 . 35015 1 53 . 1 . 1 6 6 ASN CA C 13 53.292 0.300 . 1 . . . . B 6 ASN CA . 35015 1 54 . 1 . 1 6 6 ASN CB C 13 39.234 0.003 . 1 . . . . B 6 ASN CB . 35015 1 55 . 1 . 1 6 6 ASN N N 15 117.958 0.500 . 1 . . . . B 6 ASN N . 35015 1 56 . 1 . 1 6 6 ASN ND2 N 15 112.726 0.005 . 1 . . . . B 6 ASN ND2 . 35015 1 57 . 1 . 1 7 7 ASP H H 1 8.365 0.020 . 1 . . . . B 7 ASP H . 35015 1 58 . 1 . 1 7 7 ASP HA H 1 4.462 0.020 . 1 . . . . B 7 ASP HA . 35015 1 59 . 1 . 1 7 7 ASP HB2 H 1 2.686 0.020 . 2 . . . . B 7 ASP HB2 . 35015 1 60 . 1 . 1 7 7 ASP HB3 H 1 2.637 0.020 . 2 . . . . B 7 ASP HB3 . 35015 1 61 . 1 . 1 7 7 ASP CA C 13 55.884 0.300 . 1 . . . . B 7 ASP CA . 35015 1 62 . 1 . 1 7 7 ASP CB C 13 40.995 0.001 . 1 . . . . B 7 ASP CB . 35015 1 63 . 1 . 1 7 7 ASP N N 15 120.632 0.500 . 1 . . . . B 7 ASP N . 35015 1 64 . 1 . 1 8 8 ALA H H 1 8.172 0.020 . 1 . . . . B 8 ALA H . 35015 1 65 . 1 . 1 8 8 ALA HA H 1 4.212 0.020 . 1 . . . . B 8 ALA HA . 35015 1 66 . 1 . 1 8 8 ALA HB1 H 1 1.395 0.020 . 1 . . . . B 8 ALA HB1 . 35015 1 67 . 1 . 1 8 8 ALA HB2 H 1 1.395 0.020 . 1 . . . . B 8 ALA HB2 . 35015 1 68 . 1 . 1 8 8 ALA HB3 H 1 1.395 0.020 . 1 . . . . B 8 ALA HB3 . 35015 1 69 . 1 . 1 8 8 ALA CA C 13 54.004 0.300 . 1 . . . . B 8 ALA CA . 35015 1 70 . 1 . 1 8 8 ALA CB C 13 18.710 0.300 . 1 . . . . B 8 ALA CB . 35015 1 71 . 1 . 1 8 8 ALA N N 15 123.253 0.500 . 1 . . . . B 8 ALA N . 35015 1 72 . 1 . 1 9 9 ASP H H 1 8.216 0.020 . 1 . . . . B 9 ASP H . 35015 1 73 . 1 . 1 9 9 ASP HA H 1 4.535 0.020 . 1 . . . . B 9 ASP HA . 35015 1 74 . 1 . 1 9 9 ASP HB2 H 1 2.697 0.020 . 2 . . . . B 9 ASP HB2 . 35015 1 75 . 1 . 1 9 9 ASP HB3 H 1 2.769 0.020 . 2 . . . . B 9 ASP HB3 . 35015 1 76 . 1 . 1 9 9 ASP CA C 13 55.497 0.300 . 1 . . . . B 9 ASP CA . 35015 1 77 . 1 . 1 9 9 ASP CB C 13 40.523 0.005 . 1 . . . . B 9 ASP CB . 35015 1 78 . 1 . 1 9 9 ASP N N 15 119.914 0.500 . 1 . . . . B 9 ASP N . 35015 1 79 . 1 . 1 10 10 LEU H H 1 8.097 0.020 . 1 . . . . B 10 LEU H . 35015 1 80 . 1 . 1 10 10 LEU HA H 1 4.124 0.020 . 1 . . . . B 10 LEU HA . 35015 1 81 . 1 . 1 10 10 LEU HB2 H 1 1.920 0.020 . 2 . . . . B 10 LEU HB2 . 35015 1 82 . 1 . 1 10 10 LEU HB3 H 1 1.538 0.020 . 2 . . . . B 10 LEU HB3 . 35015 1 83 . 1 . 1 10 10 LEU HG H 1 1.712 0.020 . 1 . . . . B 10 LEU HG . 35015 1 84 . 1 . 1 10 10 LEU HD11 H 1 0.630 0.020 . 1 . . . . B 10 LEU HD11 . 35015 1 85 . 1 . 1 10 10 LEU HD12 H 1 0.630 0.020 . 1 . . . . B 10 LEU HD12 . 35015 1 86 . 1 . 1 10 10 LEU HD13 H 1 0.630 0.020 . 1 . . . . B 10 LEU HD13 . 35015 1 87 . 1 . 1 10 10 LEU HD21 H 1 0.696 0.020 . 1 . . . . B 10 LEU HD21 . 35015 1 88 . 1 . 1 10 10 LEU HD22 H 1 0.696 0.020 . 1 . . . . B 10 LEU HD22 . 35015 1 89 . 1 . 1 10 10 LEU HD23 H 1 0.696 0.020 . 1 . . . . B 10 LEU HD23 . 35015 1 90 . 1 . 1 10 10 LEU CA C 13 58.029 0.300 . 1 . . . . B 10 LEU CA . 35015 1 91 . 1 . 1 10 10 LEU CB C 13 41.305 0.001 . 1 . . . . B 10 LEU CB . 35015 1 92 . 1 . 1 10 10 LEU CG C 13 26.820 0.300 . 1 . . . . B 10 LEU CG . 35015 1 93 . 1 . 1 10 10 LEU CD1 C 13 22.713 0.300 . 1 . . . . B 10 LEU CD1 . 35015 1 94 . 1 . 1 10 10 LEU CD2 C 13 25.522 0.300 . 1 . . . . B 10 LEU CD2 . 35015 1 95 . 1 . 1 10 10 LEU N N 15 122.561 0.500 . 1 . . . . B 10 LEU N . 35015 1 96 . 1 . 1 11 11 ASP H H 1 8.135 0.020 . 1 . . . . B 11 ASP H . 35015 1 97 . 1 . 1 11 11 ASP HA H 1 4.457 0.020 . 1 . . . . B 11 ASP HA . 35015 1 98 . 1 . 1 11 11 ASP HB2 H 1 2.677 0.020 . 2 . . . . B 11 ASP HB2 . 35015 1 99 . 1 . 1 11 11 ASP HB3 H 1 2.738 0.020 . 2 . . . . B 11 ASP HB3 . 35015 1 100 . 1 . 1 11 11 ASP CA C 13 57.950 0.300 . 1 . . . . B 11 ASP CA . 35015 1 101 . 1 . 1 11 11 ASP CB C 13 40.996 0.002 . 1 . . . . B 11 ASP CB . 35015 1 102 . 1 . 1 11 11 ASP N N 15 118.983 0.500 . 1 . . . . B 11 ASP N . 35015 1 103 . 1 . 1 12 12 ALA H H 1 7.826 0.020 . 1 . . . . B 12 ALA H . 35015 1 104 . 1 . 1 12 12 ALA HA H 1 4.208 0.020 . 1 . . . . B 12 ALA HA . 35015 1 105 . 1 . 1 12 12 ALA HB1 H 1 1.512 0.020 . 1 . . . . B 12 ALA HB1 . 35015 1 106 . 1 . 1 12 12 ALA HB2 H 1 1.512 0.020 . 1 . . . . B 12 ALA HB2 . 35015 1 107 . 1 . 1 12 12 ALA HB3 H 1 1.512 0.020 . 1 . . . . B 12 ALA HB3 . 35015 1 108 . 1 . 1 12 12 ALA CA C 13 54.827 0.300 . 1 . . . . B 12 ALA CA . 35015 1 109 . 1 . 1 12 12 ALA CB C 13 18.038 0.300 . 1 . . . . B 12 ALA CB . 35015 1 110 . 1 . 1 12 12 ALA N N 15 121.395 0.500 . 1 . . . . B 12 ALA N . 35015 1 111 . 1 . 1 13 13 LEU H H 1 7.734 0.020 . 1 . . . . B 13 LEU H . 35015 1 112 . 1 . 1 13 13 LEU HA H 1 4.229 0.020 . 1 . . . . B 13 LEU HA . 35015 1 113 . 1 . 1 13 13 LEU HB2 H 1 1.671 0.020 . 2 . . . . B 13 LEU HB2 . 35015 1 114 . 1 . 1 13 13 LEU HB3 H 1 1.993 0.020 . 2 . . . . B 13 LEU HB3 . 35015 1 115 . 1 . 1 13 13 LEU HG H 1 1.764 0.020 . 1 . . . . B 13 LEU HG . 35015 1 116 . 1 . 1 13 13 LEU HD11 H 1 0.936 0.020 . 1 . . . . B 13 LEU HD11 . 35015 1 117 . 1 . 1 13 13 LEU HD12 H 1 0.936 0.020 . 1 . . . . B 13 LEU HD12 . 35015 1 118 . 1 . 1 13 13 LEU HD13 H 1 0.936 0.020 . 1 . . . . B 13 LEU HD13 . 35015 1 119 . 1 . 1 13 13 LEU HD21 H 1 0.900 0.020 . 1 . . . . B 13 LEU HD21 . 35015 1 120 . 1 . 1 13 13 LEU HD22 H 1 0.900 0.020 . 1 . . . . B 13 LEU HD22 . 35015 1 121 . 1 . 1 13 13 LEU HD23 H 1 0.900 0.020 . 1 . . . . B 13 LEU HD23 . 35015 1 122 . 1 . 1 13 13 LEU CA C 13 57.990 0.300 . 1 . . . . B 13 LEU CA . 35015 1 123 . 1 . 1 13 13 LEU CB C 13 42.633 0.009 . 1 . . . . B 13 LEU CB . 35015 1 124 . 1 . 1 13 13 LEU CG C 13 27.358 0.300 . 1 . . . . B 13 LEU CG . 35015 1 125 . 1 . 1 13 13 LEU CD1 C 13 25.050 0.300 . 1 . . . . B 13 LEU CD1 . 35015 1 126 . 1 . 1 13 13 LEU CD2 C 13 25.066 0.300 . 1 . . . . B 13 LEU CD2 . 35015 1 127 . 1 . 1 13 13 LEU N N 15 120.128 0.500 . 1 . . . . B 13 LEU N . 35015 1 128 . 1 . 1 14 14 LEU H H 1 8.136 0.020 . 1 . . . . B 14 LEU H . 35015 1 129 . 1 . 1 14 14 LEU HA H 1 3.741 0.020 . 1 . . . . B 14 LEU HA . 35015 1 130 . 1 . 1 14 14 LEU HB2 H 1 2.128 0.020 . 2 . . . . B 14 LEU HB2 . 35015 1 131 . 1 . 1 14 14 LEU HB3 H 1 1.515 0.020 . 2 . . . . B 14 LEU HB3 . 35015 1 132 . 1 . 1 14 14 LEU HG H 1 1.740 0.020 . 1 . . . . B 14 LEU HG . 35015 1 133 . 1 . 1 14 14 LEU HD11 H 1 0.674 0.020 . 1 . . . . B 14 LEU HD11 . 35015 1 134 . 1 . 1 14 14 LEU HD12 H 1 0.674 0.020 . 1 . . . . B 14 LEU HD12 . 35015 1 135 . 1 . 1 14 14 LEU HD13 H 1 0.674 0.020 . 1 . . . . B 14 LEU HD13 . 35015 1 136 . 1 . 1 14 14 LEU HD21 H 1 0.974 0.020 . 1 . . . . B 14 LEU HD21 . 35015 1 137 . 1 . 1 14 14 LEU HD22 H 1 0.974 0.020 . 1 . . . . B 14 LEU HD22 . 35015 1 138 . 1 . 1 14 14 LEU HD23 H 1 0.974 0.020 . 1 . . . . B 14 LEU HD23 . 35015 1 139 . 1 . 1 14 14 LEU CA C 13 58.922 0.300 . 1 . . . . B 14 LEU CA . 35015 1 140 . 1 . 1 14 14 LEU CB C 13 42.407 0.014 . 1 . . . . B 14 LEU CB . 35015 1 141 . 1 . 1 14 14 LEU CG C 13 27.099 0.300 . 1 . . . . B 14 LEU CG . 35015 1 142 . 1 . 1 14 14 LEU CD1 C 13 25.656 0.300 . 1 . . . . B 14 LEU CD1 . 35015 1 143 . 1 . 1 14 14 LEU CD2 C 13 25.712 0.300 . 1 . . . . B 14 LEU CD2 . 35015 1 144 . 1 . 1 14 14 LEU N N 15 120.496 0.500 . 1 . . . . B 14 LEU N . 35015 1 145 . 1 . 1 15 15 ASP H H 1 7.997 0.020 . 1 . . . . B 15 ASP H . 35015 1 146 . 1 . 1 15 15 ASP HA H 1 4.380 0.020 . 1 . . . . B 15 ASP HA . 35015 1 147 . 1 . 1 15 15 ASP HB2 H 1 2.632 0.020 . 2 . . . . B 15 ASP HB2 . 35015 1 148 . 1 . 1 15 15 ASP HB3 H 1 2.743 0.020 . 2 . . . . B 15 ASP HB3 . 35015 1 149 . 1 . 1 15 15 ASP CA C 13 57.887 0.300 . 1 . . . . B 15 ASP CA . 35015 1 150 . 1 . 1 15 15 ASP CB C 13 40.465 0.009 . 1 . . . . B 15 ASP CB . 35015 1 151 . 1 . 1 15 15 ASP N N 15 118.574 0.500 . 1 . . . . B 15 ASP N . 35015 1 152 . 1 . 1 16 16 ASP H H 1 8.295 0.020 . 1 . . . . B 16 ASP H . 35015 1 153 . 1 . 1 16 16 ASP HA H 1 4.477 0.020 . 1 . . . . B 16 ASP HA . 35015 1 154 . 1 . 1 16 16 ASP HB2 H 1 2.857 0.020 . 2 . . . . B 16 ASP HB2 . 35015 1 155 . 1 . 1 16 16 ASP HB3 H 1 2.917 0.020 . 2 . . . . B 16 ASP HB3 . 35015 1 156 . 1 . 1 16 16 ASP CA C 13 57.606 0.300 . 1 . . . . B 16 ASP CA . 35015 1 157 . 1 . 1 16 16 ASP CB C 13 41.803 0.006 . 1 . . . . B 16 ASP CB . 35015 1 158 . 1 . 1 16 16 ASP N N 15 120.028 0.500 . 1 . . . . B 16 ASP N . 35015 1 159 . 1 . 1 17 17 CYS H H 1 8.486 0.020 . 1 . . . . B 17 CYS H . 35015 1 160 . 1 . 1 17 17 CYS HA H 1 4.244 0.020 . 1 . . . . B 17 CYS HA . 35015 1 161 . 1 . 1 17 17 CYS HB2 H 1 2.630 0.020 . 2 . . . . B 17 CYS HB2 . 35015 1 162 . 1 . 1 17 17 CYS HB3 H 1 3.099 0.020 . 2 . . . . B 17 CYS HB3 . 35015 1 163 . 1 . 1 17 17 CYS CA C 13 64.521 0.300 . 1 . . . . B 17 CYS CA . 35015 1 164 . 1 . 1 17 17 CYS CB C 13 27.416 0.002 . 1 . . . . B 17 CYS CB . 35015 1 165 . 1 . 1 17 17 CYS N N 15 117.657 0.500 . 1 . . . . B 17 CYS N . 35015 1 166 . 1 . 1 18 18 LEU H H 1 8.616 0.020 . 1 . . . . B 18 LEU H . 35015 1 167 . 1 . 1 18 18 LEU HA H 1 4.002 0.020 . 1 . . . . B 18 LEU HA . 35015 1 168 . 1 . 1 18 18 LEU HB2 H 1 1.957 0.020 . 2 . . . . B 18 LEU HB2 . 35015 1 169 . 1 . 1 18 18 LEU HB3 H 1 1.435 0.020 . 2 . . . . B 18 LEU HB3 . 35015 1 170 . 1 . 1 18 18 LEU HG H 1 1.853 0.020 . 1 . . . . B 18 LEU HG . 35015 1 171 . 1 . 1 18 18 LEU HD11 H 1 0.431 0.020 . 1 . . . . B 18 LEU HD11 . 35015 1 172 . 1 . 1 18 18 LEU HD12 H 1 0.431 0.020 . 1 . . . . B 18 LEU HD12 . 35015 1 173 . 1 . 1 18 18 LEU HD13 H 1 0.431 0.020 . 1 . . . . B 18 LEU HD13 . 35015 1 174 . 1 . 1 18 18 LEU HD21 H 1 0.722 0.020 . 1 . . . . B 18 LEU HD21 . 35015 1 175 . 1 . 1 18 18 LEU HD22 H 1 0.722 0.020 . 1 . . . . B 18 LEU HD22 . 35015 1 176 . 1 . 1 18 18 LEU HD23 H 1 0.722 0.020 . 1 . . . . B 18 LEU HD23 . 35015 1 177 . 1 . 1 18 18 LEU CA C 13 58.468 0.300 . 1 . . . . B 18 LEU CA . 35015 1 178 . 1 . 1 18 18 LEU CB C 13 41.085 0.001 . 1 . . . . B 18 LEU CB . 35015 1 179 . 1 . 1 18 18 LEU CG C 13 26.791 0.300 . 1 . . . . B 18 LEU CG . 35015 1 180 . 1 . 1 18 18 LEU CD1 C 13 24.352 0.300 . 1 . . . . B 18 LEU CD1 . 35015 1 181 . 1 . 1 18 18 LEU CD2 C 13 25.949 0.300 . 1 . . . . B 18 LEU CD2 . 35015 1 182 . 1 . 1 18 18 LEU N N 15 122.118 0.500 . 1 . . . . B 18 LEU N . 35015 1 183 . 1 . 1 19 19 ASN H H 1 8.268 0.020 . 1 . . . . B 19 ASN H . 35015 1 184 . 1 . 1 19 19 ASN HA H 1 4.464 0.020 . 1 . . . . B 19 ASN HA . 35015 1 185 . 1 . 1 19 19 ASN HB2 H 1 2.958 0.020 . 2 . . . . B 19 ASN HB2 . 35015 1 186 . 1 . 1 19 19 ASN HB3 H 1 3.067 0.020 . 2 . . . . B 19 ASN HB3 . 35015 1 187 . 1 . 1 19 19 ASN HD21 H 1 7.821 0.020 . 2 . . . . B 19 ASN HD21 . 35015 1 188 . 1 . 1 19 19 ASN HD22 H 1 6.934 0.020 . 2 . . . . B 19 ASN HD22 . 35015 1 189 . 1 . 1 19 19 ASN CA C 13 56.184 0.300 . 1 . . . . B 19 ASN CA . 35015 1 190 . 1 . 1 19 19 ASN CB C 13 37.768 0.001 . 1 . . . . B 19 ASN CB . 35015 1 191 . 1 . 1 19 19 ASN N N 15 118.202 0.500 . 1 . . . . B 19 ASN N . 35015 1 192 . 1 . 1 19 19 ASN ND2 N 15 113.330 0.003 . 1 . . . . B 19 ASN ND2 . 35015 1 193 . 1 . 1 20 20 THR H H 1 8.276 0.020 . 1 . . . . B 20 THR H . 35015 1 194 . 1 . 1 20 20 THR HA H 1 4.076 0.020 . 1 . . . . B 20 THR HA . 35015 1 195 . 1 . 1 20 20 THR HB H 1 4.387 0.020 . 1 . . . . B 20 THR HB . 35015 1 196 . 1 . 1 20 20 THR HG21 H 1 1.275 0.020 . 1 . . . . B 20 THR HG21 . 35015 1 197 . 1 . 1 20 20 THR HG22 H 1 1.275 0.020 . 1 . . . . B 20 THR HG22 . 35015 1 198 . 1 . 1 20 20 THR HG23 H 1 1.275 0.020 . 1 . . . . B 20 THR HG23 . 35015 1 199 . 1 . 1 20 20 THR CA C 13 66.337 0.300 . 1 . . . . B 20 THR CA . 35015 1 200 . 1 . 1 20 20 THR CB C 13 68.819 0.300 . 1 . . . . B 20 THR CB . 35015 1 201 . 1 . 1 20 20 THR CG2 C 13 21.863 0.300 . 1 . . . . B 20 THR CG2 . 35015 1 202 . 1 . 1 20 20 THR N N 15 117.429 0.500 . 1 . . . . B 20 THR N . 35015 1 203 . 1 . 1 21 21 MET H H 1 7.986 0.020 . 1 . . . . B 21 MET H . 35015 1 204 . 1 . 1 21 21 MET HA H 1 4.211 0.020 . 1 . . . . B 21 MET HA . 35015 1 205 . 1 . 1 21 21 MET HB2 H 1 2.254 0.020 . 2 . . . . B 21 MET HB2 . 35015 1 206 . 1 . 1 21 21 MET HB3 H 1 2.287 0.020 . 2 . . . . B 21 MET HB3 . 35015 1 207 . 1 . 1 21 21 MET HG2 H 1 2.727 0.020 . 2 . . . . B 21 MET HG2 . 35015 1 208 . 1 . 1 21 21 MET HG3 H 1 2.787 0.020 . 2 . . . . B 21 MET HG3 . 35015 1 209 . 1 . 1 21 21 MET HE1 H 1 2.196 0.020 . 1 . . . . B 21 MET HE1 . 35015 1 210 . 1 . 1 21 21 MET HE2 H 1 2.196 0.020 . 1 . . . . B 21 MET HE2 . 35015 1 211 . 1 . 1 21 21 MET HE3 H 1 2.196 0.020 . 1 . . . . B 21 MET HE3 . 35015 1 212 . 1 . 1 21 21 MET CA C 13 58.507 0.300 . 1 . . . . B 21 MET CA . 35015 1 213 . 1 . 1 21 21 MET CB C 13 32.133 0.007 . 1 . . . . B 21 MET CB . 35015 1 214 . 1 . 1 21 21 MET CG C 13 32.520 0.002 . 1 . . . . B 21 MET CG . 35015 1 215 . 1 . 1 21 21 MET CE C 13 17.429 0.300 . 1 . . . . B 21 MET CE . 35015 1 216 . 1 . 1 21 21 MET N N 15 120.877 0.500 . 1 . . . . B 21 MET N . 35015 1 217 . 1 . 1 22 22 ASP H H 1 8.002 0.020 . 1 . . . . B 22 ASP H . 35015 1 218 . 1 . 1 22 22 ASP HA H 1 4.459 0.020 . 1 . . . . B 22 ASP HA . 35015 1 219 . 1 . 1 22 22 ASP HB2 H 1 2.814 0.020 . 2 . . . . B 22 ASP HB2 . 35015 1 220 . 1 . 1 22 22 ASP HB3 H 1 2.723 0.020 . 2 . . . . B 22 ASP HB3 . 35015 1 221 . 1 . 1 22 22 ASP CA C 13 56.831 0.300 . 1 . . . . B 22 ASP CA . 35015 1 222 . 1 . 1 22 22 ASP CB C 13 40.716 0.005 . 1 . . . . B 22 ASP CB . 35015 1 223 . 1 . 1 22 22 ASP N N 15 120.021 0.500 . 1 . . . . B 22 ASP N . 35015 1 224 . 1 . 1 23 23 GLU H H 1 8.093 0.020 . 1 . . . . B 23 GLU H . 35015 1 225 . 1 . 1 23 23 GLU HA H 1 4.117 0.020 . 1 . . . . B 23 GLU HA . 35015 1 226 . 1 . 1 23 23 GLU HB2 H 1 2.165 0.020 . 2 . . . . B 23 GLU HB2 . 35015 1 227 . 1 . 1 23 23 GLU HB3 H 1 2.138 0.020 . 2 . . . . B 23 GLU HB3 . 35015 1 228 . 1 . 1 23 23 GLU HG2 H 1 2.262 0.020 . 2 . . . . B 23 GLU HG2 . 35015 1 229 . 1 . 1 23 23 GLU HG3 H 1 2.363 0.020 . 2 . . . . B 23 GLU HG3 . 35015 1 230 . 1 . 1 23 23 GLU CA C 13 58.679 0.300 . 1 . . . . B 23 GLU CA . 35015 1 231 . 1 . 1 23 23 GLU CB C 13 29.726 0.003 . 1 . . . . B 23 GLU CB . 35015 1 232 . 1 . 1 23 23 GLU CG C 13 36.204 0.078 . 1 . . . . B 23 GLU CG . 35015 1 233 . 1 . 1 23 23 GLU N N 15 120.595 0.500 . 1 . . . . B 23 GLU N . 35015 1 234 . 1 . 1 24 24 GLN H H 1 8.196 0.020 . 1 . . . . B 24 GLN H . 35015 1 235 . 1 . 1 24 24 GLN HA H 1 4.092 0.020 . 1 . . . . B 24 GLN HA . 35015 1 236 . 1 . 1 24 24 GLN HB2 H 1 2.162 0.020 . 2 . . . . B 24 GLN HB2 . 35015 1 237 . 1 . 1 24 24 GLN HB3 H 1 2.191 0.020 . 2 . . . . B 24 GLN HB3 . 35015 1 238 . 1 . 1 24 24 GLN HG2 H 1 2.547 0.020 . 2 . . . . B 24 GLN HG2 . 35015 1 239 . 1 . 1 24 24 GLN HG3 H 1 2.472 0.020 . 2 . . . . B 24 GLN HG3 . 35015 1 240 . 1 . 1 24 24 GLN HE21 H 1 7.532 0.020 . 2 . . . . B 24 GLN HE21 . 35015 1 241 . 1 . 1 24 24 GLN HE22 H 1 6.792 0.020 . 2 . . . . B 24 GLN HE22 . 35015 1 242 . 1 . 1 24 24 GLN CA C 13 57.944 0.300 . 1 . . . . B 24 GLN CA . 35015 1 243 . 1 . 1 24 24 GLN CB C 13 28.599 0.001 . 1 . . . . B 24 GLN CB . 35015 1 244 . 1 . 1 24 24 GLN CG C 13 34.151 0.002 . 1 . . . . B 24 GLN CG . 35015 1 245 . 1 . 1 24 24 GLN N N 15 118.010 0.500 . 1 . . . . B 24 GLN N . 35015 1 246 . 1 . 1 24 24 GLN NE2 N 15 111.769 0.001 . 1 . . . . B 24 GLN NE2 . 35015 1 247 . 1 . 1 25 25 GLU H H 1 8.055 0.020 . 1 . . . . B 25 GLU H . 35015 1 248 . 1 . 1 25 25 GLU HA H 1 4.200 0.020 . 1 . . . . B 25 GLU HA . 35015 1 249 . 1 . 1 25 25 GLU HB2 H 1 2.130 0.004 . 2 . . . . B 25 GLU HB2 . 35015 1 250 . 1 . 1 25 25 GLU HB3 H 1 2.130 0.004 . 2 . . . . B 25 GLU HB3 . 35015 1 251 . 1 . 1 25 25 GLU HG2 H 1 2.310 0.020 . 2 . . . . B 25 GLU HG2 . 35015 1 252 . 1 . 1 25 25 GLU HG3 H 1 2.405 0.020 . 2 . . . . B 25 GLU HG3 . 35015 1 253 . 1 . 1 25 25 GLU CA C 13 57.951 0.300 . 1 . . . . B 25 GLU CA . 35015 1 254 . 1 . 1 25 25 GLU CB C 13 29.792 0.001 . 1 . . . . B 25 GLU CB . 35015 1 255 . 1 . 1 25 25 GLU CG C 13 36.377 0.029 . 1 . . . . B 25 GLU CG . 35015 1 256 . 1 . 1 25 25 GLU N N 15 119.645 0.500 . 1 . . . . B 25 GLU N . 35015 1 257 . 1 . 1 26 26 ARG H H 1 7.913 0.020 . 1 . . . . B 26 ARG H . 35015 1 258 . 1 . 1 26 26 ARG HA H 1 4.196 0.020 . 1 . . . . B 26 ARG HA . 35015 1 259 . 1 . 1 26 26 ARG HB2 H 1 1.893 0.011 . 2 . . . . B 26 ARG HB2 . 35015 1 260 . 1 . 1 26 26 ARG HB3 H 1 1.893 0.011 . 2 . . . . B 26 ARG HB3 . 35015 1 261 . 1 . 1 26 26 ARG HG2 H 1 1.595 0.020 . 2 . . . . B 26 ARG HG2 . 35015 1 262 . 1 . 1 26 26 ARG HG3 H 1 1.701 0.020 . 2 . . . . B 26 ARG HG3 . 35015 1 263 . 1 . 1 26 26 ARG HD2 H 1 3.190 0.020 . 2 . . . . B 26 ARG HD2 . 35015 1 264 . 1 . 1 26 26 ARG HD3 H 1 3.190 0.020 . 2 . . . . B 26 ARG HD3 . 35015 1 265 . 1 . 1 26 26 ARG CA C 13 58.072 0.300 . 1 . . . . B 26 ARG CA . 35015 1 266 . 1 . 1 26 26 ARG CB C 13 30.393 0.001 . 1 . . . . B 26 ARG CB . 35015 1 267 . 1 . 1 26 26 ARG CG C 13 27.451 0.016 . 1 . . . . B 26 ARG CG . 35015 1 268 . 1 . 1 26 26 ARG CD C 13 43.350 0.300 . 1 . . . . B 26 ARG CD . 35015 1 269 . 1 . 1 26 26 ARG N N 15 120.247 0.500 . 1 . . . . B 26 ARG N . 35015 1 270 . 1 . 1 27 27 ILE H H 1 7.966 0.020 . 1 . . . . B 27 ILE H . 35015 1 271 . 1 . 1 27 27 ILE HA H 1 3.955 0.020 . 1 . . . . B 27 ILE HA . 35015 1 272 . 1 . 1 27 27 ILE HB H 1 1.847 0.020 . 1 . . . . B 27 ILE HB . 35015 1 273 . 1 . 1 27 27 ILE HG12 H 1 1.176 0.020 . 2 . . . . B 27 ILE HG12 . 35015 1 274 . 1 . 1 27 27 ILE HG13 H 1 1.519 0.020 . 2 . . . . B 27 ILE HG13 . 35015 1 275 . 1 . 1 27 27 ILE HG21 H 1 0.850 0.020 . 1 . . . . B 27 ILE HG21 . 35015 1 276 . 1 . 1 27 27 ILE HG22 H 1 0.850 0.020 . 1 . . . . B 27 ILE HG22 . 35015 1 277 . 1 . 1 27 27 ILE HG23 H 1 0.850 0.020 . 1 . . . . B 27 ILE HG23 . 35015 1 278 . 1 . 1 27 27 ILE HD11 H 1 0.831 0.020 . 1 . . . . B 27 ILE HD11 . 35015 1 279 . 1 . 1 27 27 ILE HD12 H 1 0.831 0.020 . 1 . . . . B 27 ILE HD12 . 35015 1 280 . 1 . 1 27 27 ILE HD13 H 1 0.831 0.020 . 1 . . . . B 27 ILE HD13 . 35015 1 281 . 1 . 1 27 27 ILE CA C 13 62.833 0.300 . 1 . . . . B 27 ILE CA . 35015 1 282 . 1 . 1 27 27 ILE CB C 13 38.340 0.300 . 1 . . . . B 27 ILE CB . 35015 1 283 . 1 . 1 27 27 ILE CG1 C 13 28.142 0.300 . 1 . . . . B 27 ILE CG1 . 35015 1 284 . 1 . 1 27 27 ILE CG2 C 13 17.348 0.300 . 1 . . . . B 27 ILE CG2 . 35015 1 285 . 1 . 1 27 27 ILE CD1 C 13 13.146 0.300 . 1 . . . . B 27 ILE CD1 . 35015 1 286 . 1 . 1 27 27 ILE N N 15 119.862 0.500 . 1 . . . . B 27 ILE N . 35015 1 287 . 1 . 1 28 28 HIS H H 1 8.214 0.020 . 1 . . . . B 28 HIS H . 35015 1 288 . 1 . 1 28 28 HIS HA H 1 4.541 0.020 . 1 . . . . B 28 HIS HA . 35015 1 289 . 1 . 1 28 28 HIS HB2 H 1 3.257 0.041 . 2 . . . . B 28 HIS HB2 . 35015 1 290 . 1 . 1 28 28 HIS HB3 H 1 3.257 0.041 . 2 . . . . B 28 HIS HB3 . 35015 1 291 . 1 . 1 28 28 HIS HD2 H 1 7.217 0.020 . 1 . . . . B 28 HIS HD2 . 35015 1 292 . 1 . 1 28 28 HIS HE1 H 1 8.318 0.020 . 1 . . . . B 28 HIS HE1 . 35015 1 293 . 1 . 1 28 28 HIS CA C 13 57.103 0.300 . 1 . . . . B 28 HIS CA . 35015 1 294 . 1 . 1 28 28 HIS CB C 13 29.423 0.006 . 1 . . . . B 28 HIS CB . 35015 1 295 . 1 . 1 28 28 HIS CD2 C 13 120.134 0.300 . 1 . . . . B 28 HIS CD2 . 35015 1 296 . 1 . 1 28 28 HIS CE1 C 13 137.039 0.300 . 1 . . . . B 28 HIS CE1 . 35015 1 297 . 1 . 1 28 28 HIS N N 15 120.842 0.500 . 1 . . . . B 28 HIS N . 35015 1 298 . 1 . 1 29 29 GLU H H 1 8.278 0.020 . 1 . . . . B 29 GLU H . 35015 1 299 . 1 . 1 29 29 GLU HA H 1 4.216 0.020 . 1 . . . . B 29 GLU HA . 35015 1 300 . 1 . 1 29 29 GLU HB2 H 1 2.055 0.020 . 2 . . . . B 29 GLU HB2 . 35015 1 301 . 1 . 1 29 29 GLU HB3 H 1 2.036 0.020 . 2 . . . . B 29 GLU HB3 . 35015 1 302 . 1 . 1 29 29 GLU HG2 H 1 2.281 0.020 . 2 . . . . B 29 GLU HG2 . 35015 1 303 . 1 . 1 29 29 GLU HG3 H 1 2.281 0.020 . 2 . . . . B 29 GLU HG3 . 35015 1 304 . 1 . 1 29 29 GLU CA C 13 57.443 0.300 . 1 . . . . B 29 GLU CA . 35015 1 305 . 1 . 1 29 29 GLU CB C 13 30.073 0.300 . 1 . . . . B 29 GLU CB . 35015 1 306 . 1 . 1 29 29 GLU CG C 13 36.217 0.300 . 1 . . . . B 29 GLU CG . 35015 1 307 . 1 . 1 29 29 GLU N N 15 121.617 0.500 . 1 . . . . B 29 GLU N . 35015 1 308 . 1 . 1 30 30 GLU H H 1 8.444 0.020 . 1 . . . . B 30 GLU H . 35015 1 309 . 1 . 1 30 30 GLU HA H 1 4.171 0.020 . 1 . . . . B 30 GLU HA . 35015 1 310 . 1 . 1 30 30 GLU HB2 H 1 2.049 0.020 . 2 . . . . B 30 GLU HB2 . 35015 1 311 . 1 . 1 30 30 GLU HB3 H 1 2.024 0.020 . 2 . . . . B 30 GLU HB3 . 35015 1 312 . 1 . 1 30 30 GLU HG2 H 1 2.250 0.020 . 2 . . . . B 30 GLU HG2 . 35015 1 313 . 1 . 1 30 30 GLU HG3 H 1 2.357 0.020 . 2 . . . . B 30 GLU HG3 . 35015 1 314 . 1 . 1 30 30 GLU CA C 13 57.726 0.300 . 1 . . . . B 30 GLU CA . 35015 1 315 . 1 . 1 30 30 GLU CB C 13 30.020 0.300 . 1 . . . . B 30 GLU CB . 35015 1 316 . 1 . 1 30 30 GLU CG C 13 36.389 0.002 . 1 . . . . B 30 GLU CG . 35015 1 317 . 1 . 1 30 30 GLU N N 15 121.979 0.500 . 1 . . . . B 30 GLU N . 35015 1 318 . 1 . 1 31 31 LYS H H 1 8.279 0.020 . 1 . . . . B 31 LYS H . 35015 1 319 . 1 . 1 31 31 LYS HA H 1 4.244 0.020 . 1 . . . . B 31 LYS HA . 35015 1 320 . 1 . 1 31 31 LYS HB2 H 1 1.843 0.020 . 2 . . . . B 31 LYS HB2 . 35015 1 321 . 1 . 1 31 31 LYS HB3 H 1 1.809 0.020 . 2 . . . . B 31 LYS HB3 . 35015 1 322 . 1 . 1 31 31 LYS HG2 H 1 1.447 0.020 . 2 . . . . B 31 LYS HG2 . 35015 1 323 . 1 . 1 31 31 LYS HG3 H 1 1.498 0.020 . 2 . . . . B 31 LYS HG3 . 35015 1 324 . 1 . 1 31 31 LYS HD2 H 1 1.653 0.020 . 2 . . . . B 31 LYS HD2 . 35015 1 325 . 1 . 1 31 31 LYS HD3 H 1 1.653 0.020 . 2 . . . . B 31 LYS HD3 . 35015 1 326 . 1 . 1 31 31 LYS HE2 H 1 2.953 0.020 . 2 . . . . B 31 LYS HE2 . 35015 1 327 . 1 . 1 31 31 LYS HE3 H 1 2.961 0.020 . 2 . . . . B 31 LYS HE3 . 35015 1 328 . 1 . 1 31 31 LYS CA C 13 56.817 0.300 . 1 . . . . B 31 LYS CA . 35015 1 329 . 1 . 1 31 31 LYS CB C 13 32.550 0.001 . 1 . . . . B 31 LYS CB . 35015 1 330 . 1 . 1 31 31 LYS CG C 13 24.910 0.002 . 1 . . . . B 31 LYS CG . 35015 1 331 . 1 . 1 31 31 LYS CD C 13 28.846 0.300 . 1 . . . . B 31 LYS CD . 35015 1 332 . 1 . 1 31 31 LYS CE C 13 41.992 0.002 . 1 . . . . B 31 LYS CE . 35015 1 333 . 1 . 1 31 31 LYS N N 15 121.221 0.500 . 1 . . . . B 31 LYS N . 35015 1 334 . 1 . 1 32 32 ALA H H 1 8.174 0.020 . 1 . . . . B 32 ALA H . 35015 1 335 . 1 . 1 32 32 ALA HA H 1 4.190 0.020 . 1 . . . . B 32 ALA HA . 35015 1 336 . 1 . 1 32 32 ALA HB1 H 1 1.402 0.020 . 1 . . . . B 32 ALA HB1 . 35015 1 337 . 1 . 1 32 32 ALA HB2 H 1 1.402 0.020 . 1 . . . . B 32 ALA HB2 . 35015 1 338 . 1 . 1 32 32 ALA HB3 H 1 1.402 0.020 . 1 . . . . B 32 ALA HB3 . 35015 1 339 . 1 . 1 32 32 ALA CA C 13 53.484 0.300 . 1 . . . . B 32 ALA CA . 35015 1 340 . 1 . 1 32 32 ALA CB C 13 18.715 0.300 . 1 . . . . B 32 ALA CB . 35015 1 341 . 1 . 1 32 32 ALA N N 15 124.218 0.500 . 1 . . . . B 32 ALA N . 35015 1 342 . 1 . 1 33 33 GLN H H 1 8.258 0.020 . 1 . . . . B 33 GLN H . 35015 1 343 . 1 . 1 33 33 GLN HA H 1 4.223 0.020 . 1 . . . . B 33 GLN HA . 35015 1 344 . 1 . 1 33 33 GLN HB2 H 1 2.034 0.020 . 2 . . . . B 33 GLN HB2 . 35015 1 345 . 1 . 1 33 33 GLN HB3 H 1 2.122 0.020 . 2 . . . . B 33 GLN HB3 . 35015 1 346 . 1 . 1 33 33 GLN HG2 H 1 2.386 0.020 . 2 . . . . B 33 GLN HG2 . 35015 1 347 . 1 . 1 33 33 GLN HG3 H 1 2.425 0.020 . 2 . . . . B 33 GLN HG3 . 35015 1 348 . 1 . 1 33 33 GLN HE21 H 1 7.573 0.020 . 2 . . . . B 33 GLN HE21 . 35015 1 349 . 1 . 1 33 33 GLN HE22 H 1 6.846 0.020 . 2 . . . . B 33 GLN HE22 . 35015 1 350 . 1 . 1 33 33 GLN CA C 13 56.621 0.300 . 1 . . . . B 33 GLN CA . 35015 1 351 . 1 . 1 33 33 GLN CB C 13 29.032 0.004 . 1 . . . . B 33 GLN CB . 35015 1 352 . 1 . 1 33 33 GLN CG C 13 33.803 0.002 . 1 . . . . B 33 GLN CG . 35015 1 353 . 1 . 1 33 33 GLN N N 15 118.823 0.500 . 1 . . . . B 33 GLN N . 35015 1 354 . 1 . 1 33 33 GLN NE2 N 15 112.415 0.001 . 1 . . . . B 33 GLN NE2 . 35015 1 355 . 1 . 1 34 34 GLU H H 1 8.254 0.020 . 1 . . . . B 34 GLU H . 35015 1 356 . 1 . 1 34 34 GLU HA H 1 4.200 0.020 . 1 . . . . B 34 GLU HA . 35015 1 357 . 1 . 1 34 34 GLU HB2 H 1 2.013 0.020 . 2 . . . . B 34 GLU HB2 . 35015 1 358 . 1 . 1 34 34 GLU HB3 H 1 2.063 0.020 . 2 . . . . B 34 GLU HB3 . 35015 1 359 . 1 . 1 34 34 GLU HG2 H 1 2.233 0.020 . 2 . . . . B 34 GLU HG2 . 35015 1 360 . 1 . 1 34 34 GLU HG3 H 1 2.304 0.020 . 2 . . . . B 34 GLU HG3 . 35015 1 361 . 1 . 1 34 34 GLU CA C 13 57.385 0.300 . 1 . . . . B 34 GLU CA . 35015 1 362 . 1 . 1 34 34 GLU CB C 13 30.032 0.010 . 1 . . . . B 34 GLU CB . 35015 1 363 . 1 . 1 34 34 GLU CG C 13 36.211 0.005 . 1 . . . . B 34 GLU CG . 35015 1 364 . 1 . 1 34 34 GLU N N 15 121.774 0.500 . 1 . . . . B 34 GLU N . 35015 1 365 . 1 . 1 35 35 ARG H H 1 8.231 0.020 . 1 . . . . B 35 ARG H . 35015 1 366 . 1 . 1 35 35 ARG HA H 1 4.265 0.020 . 1 . . . . B 35 ARG HA . 35015 1 367 . 1 . 1 35 35 ARG HB2 H 1 1.790 0.020 . 2 . . . . B 35 ARG HB2 . 35015 1 368 . 1 . 1 35 35 ARG HB3 H 1 1.857 0.020 . 2 . . . . B 35 ARG HB3 . 35015 1 369 . 1 . 1 35 35 ARG HG2 H 1 1.618 0.020 . 2 . . . . B 35 ARG HG2 . 35015 1 370 . 1 . 1 35 35 ARG HG3 H 1 1.677 0.020 . 2 . . . . B 35 ARG HG3 . 35015 1 371 . 1 . 1 35 35 ARG HD2 H 1 3.187 0.020 . 2 . . . . B 35 ARG HD2 . 35015 1 372 . 1 . 1 35 35 ARG HD3 H 1 3.187 0.020 . 2 . . . . B 35 ARG HD3 . 35015 1 373 . 1 . 1 35 35 ARG CA C 13 56.606 0.300 . 1 . . . . B 35 ARG CA . 35015 1 374 . 1 . 1 35 35 ARG CB C 13 30.673 0.300 . 1 . . . . B 35 ARG CB . 35015 1 375 . 1 . 1 35 35 ARG CG C 13 27.292 0.008 . 1 . . . . B 35 ARG CG . 35015 1 376 . 1 . 1 35 35 ARG CD C 13 43.319 0.300 . 1 . . . . B 35 ARG CD . 35015 1 377 . 1 . 1 35 35 ARG N N 15 121.319 0.500 . 1 . . . . B 35 ARG N . 35015 1 378 . 1 . 1 36 36 ALA H H 1 8.175 0.020 . 1 . . . . B 36 ALA H . 35015 1 379 . 1 . 1 36 36 ALA HA H 1 4.240 0.020 . 1 . . . . B 36 ALA HA . 35015 1 380 . 1 . 1 36 36 ALA HB1 H 1 1.405 0.020 . 1 . . . . B 36 ALA HB1 . 35015 1 381 . 1 . 1 36 36 ALA HB2 H 1 1.405 0.020 . 1 . . . . B 36 ALA HB2 . 35015 1 382 . 1 . 1 36 36 ALA HB3 H 1 1.405 0.020 . 1 . . . . B 36 ALA HB3 . 35015 1 383 . 1 . 1 36 36 ALA CA C 13 52.895 0.300 . 1 . . . . B 36 ALA CA . 35015 1 384 . 1 . 1 36 36 ALA CB C 13 19.097 0.300 . 1 . . . . B 36 ALA CB . 35015 1 385 . 1 . 1 36 36 ALA N N 15 124.332 0.500 . 1 . . . . B 36 ALA N . 35015 1 386 . 1 . 1 37 37 ALA H H 1 8.194 0.020 . 1 . . . . B 37 ALA H . 35015 1 387 . 1 . 1 37 37 ALA HA H 1 4.310 0.020 . 1 . . . . B 37 ALA HA . 35015 1 388 . 1 . 1 37 37 ALA HB1 H 1 1.413 0.020 . 1 . . . . B 37 ALA HB1 . 35015 1 389 . 1 . 1 37 37 ALA HB2 H 1 1.413 0.020 . 1 . . . . B 37 ALA HB2 . 35015 1 390 . 1 . 1 37 37 ALA HB3 H 1 1.413 0.020 . 1 . . . . B 37 ALA HB3 . 35015 1 391 . 1 . 1 37 37 ALA CA C 13 52.638 0.300 . 1 . . . . B 37 ALA CA . 35015 1 392 . 1 . 1 37 37 ALA CB C 13 19.174 0.300 . 1 . . . . B 37 ALA CB . 35015 1 393 . 1 . 1 37 37 ALA N N 15 122.713 0.500 . 1 . . . . B 37 ALA N . 35015 1 394 . 1 . 1 38 38 THR H H 1 8.011 0.020 . 1 . . . . B 38 THR H . 35015 1 395 . 1 . 1 38 38 THR HA H 1 4.269 0.020 . 1 . . . . B 38 THR HA . 35015 1 396 . 1 . 1 38 38 THR HB H 1 4.208 0.020 . 1 . . . . B 38 THR HB . 35015 1 397 . 1 . 1 38 38 THR HG21 H 1 1.190 0.020 . 1 . . . . B 38 THR HG21 . 35015 1 398 . 1 . 1 38 38 THR HG22 H 1 1.190 0.020 . 1 . . . . B 38 THR HG22 . 35015 1 399 . 1 . 1 38 38 THR HG23 H 1 1.190 0.020 . 1 . . . . B 38 THR HG23 . 35015 1 400 . 1 . 1 38 38 THR CA C 13 62.126 0.300 . 1 . . . . B 38 THR CA . 35015 1 401 . 1 . 1 38 38 THR CB C 13 69.706 0.300 . 1 . . . . B 38 THR CB . 35015 1 402 . 1 . 1 38 38 THR CG2 C 13 21.613 0.300 . 1 . . . . B 38 THR CG2 . 35015 1 403 . 1 . 1 38 38 THR N N 15 113.085 0.500 . 1 . . . . B 38 THR N . 35015 1 404 . 1 . 1 39 39 ARG H H 1 8.207 0.020 . 1 . . . . B 39 ARG H . 35015 1 405 . 1 . 1 39 39 ARG HA H 1 4.326 0.020 . 1 . . . . B 39 ARG HA . 35015 1 406 . 1 . 1 39 39 ARG HB2 H 1 1.763 0.020 . 2 . . . . B 39 ARG HB2 . 35015 1 407 . 1 . 1 39 39 ARG HB3 H 1 1.847 0.020 . 2 . . . . B 39 ARG HB3 . 35015 1 408 . 1 . 1 39 39 ARG HG2 H 1 1.620 0.020 . 2 . . . . B 39 ARG HG2 . 35015 1 409 . 1 . 1 39 39 ARG HG3 H 1 1.637 0.020 . 2 . . . . B 39 ARG HG3 . 35015 1 410 . 1 . 1 39 39 ARG HD2 H 1 3.185 0.020 . 2 . . . . B 39 ARG HD2 . 35015 1 411 . 1 . 1 39 39 ARG HD3 H 1 3.185 0.020 . 2 . . . . B 39 ARG HD3 . 35015 1 412 . 1 . 1 39 39 ARG CA C 13 56.044 0.300 . 1 . . . . B 39 ARG CA . 35015 1 413 . 1 . 1 39 39 ARG CB C 13 30.955 0.003 . 1 . . . . B 39 ARG CB . 35015 1 414 . 1 . 1 39 39 ARG CG C 13 27.139 0.017 . 1 . . . . B 39 ARG CG . 35015 1 415 . 1 . 1 39 39 ARG CD C 13 43.350 0.300 . 1 . . . . B 39 ARG CD . 35015 1 416 . 1 . 1 39 39 ARG N N 15 123.388 0.500 . 1 . . . . B 39 ARG N . 35015 1 417 . 1 . 1 40 40 ALA H H 1 8.317 0.020 . 1 . . . . B 40 ALA H . 35015 1 418 . 1 . 1 40 40 ALA HA H 1 4.311 0.020 . 1 . . . . B 40 ALA HA . 35015 1 419 . 1 . 1 40 40 ALA HB1 H 1 1.417 0.020 . 1 . . . . B 40 ALA HB1 . 35015 1 420 . 1 . 1 40 40 ALA HB2 H 1 1.417 0.020 . 1 . . . . B 40 ALA HB2 . 35015 1 421 . 1 . 1 40 40 ALA HB3 H 1 1.417 0.020 . 1 . . . . B 40 ALA HB3 . 35015 1 422 . 1 . 1 40 40 ALA CA C 13 52.842 0.300 . 1 . . . . B 40 ALA CA . 35015 1 423 . 1 . 1 40 40 ALA CB C 13 19.133 0.300 . 1 . . . . B 40 ALA CB . 35015 1 424 . 1 . 1 40 40 ALA N N 15 125.738 0.500 . 1 . . . . B 40 ALA N . 35015 1 425 . 1 . 1 41 41 VAL H H 1 8.074 0.020 . 1 . . . . B 41 VAL H . 35015 1 426 . 1 . 1 41 41 VAL HA H 1 4.057 0.020 . 1 . . . . B 41 VAL HA . 35015 1 427 . 1 . 1 41 41 VAL HB H 1 2.080 0.020 . 1 . . . . B 41 VAL HB . 35015 1 428 . 1 . 1 41 41 VAL HG11 H 1 0.930 0.020 . 1 . . . . B 41 VAL HG11 . 35015 1 429 . 1 . 1 41 41 VAL HG12 H 1 0.930 0.020 . 1 . . . . B 41 VAL HG12 . 35015 1 430 . 1 . 1 41 41 VAL HG13 H 1 0.930 0.020 . 1 . . . . B 41 VAL HG13 . 35015 1 431 . 1 . 1 41 41 VAL HG21 H 1 0.918 0.020 . 1 . . . . B 41 VAL HG21 . 35015 1 432 . 1 . 1 41 41 VAL HG22 H 1 0.918 0.020 . 1 . . . . B 41 VAL HG22 . 35015 1 433 . 1 . 1 41 41 VAL HG23 H 1 0.918 0.020 . 1 . . . . B 41 VAL HG23 . 35015 1 434 . 1 . 1 41 41 VAL CA C 13 62.477 0.300 . 1 . . . . B 41 VAL CA . 35015 1 435 . 1 . 1 41 41 VAL CB C 13 32.777 0.300 . 1 . . . . B 41 VAL CB . 35015 1 436 . 1 . 1 41 41 VAL CG1 C 13 20.467 0.300 . 1 . . . . B 41 VAL CG1 . 35015 1 437 . 1 . 1 41 41 VAL CG2 C 13 21.115 0.300 . 1 . . . . B 41 VAL CG2 . 35015 1 438 . 1 . 1 41 41 VAL N N 15 118.684 0.500 . 1 . . . . B 41 VAL N . 35015 1 439 . 1 . 1 42 42 ASP H H 1 8.293 0.020 . 1 . . . . B 42 ASP H . 35015 1 440 . 1 . 1 42 42 ASP HA H 1 4.578 0.020 . 1 . . . . B 42 ASP HA . 35015 1 441 . 1 . 1 42 42 ASP HB2 H 1 2.632 0.020 . 2 . . . . B 42 ASP HB2 . 35015 1 442 . 1 . 1 42 42 ASP HB3 H 1 2.708 0.020 . 2 . . . . B 42 ASP HB3 . 35015 1 443 . 1 . 1 42 42 ASP CA C 13 54.273 0.300 . 1 . . . . B 42 ASP CA . 35015 1 444 . 1 . 1 42 42 ASP CB C 13 41.218 0.007 . 1 . . . . B 42 ASP CB . 35015 1 445 . 1 . 1 42 42 ASP N N 15 123.239 0.500 . 1 . . . . B 42 ASP N . 35015 1 446 . 1 . 1 43 43 GLN H H 1 8.283 0.020 . 1 . . . . B 43 GLN H . 35015 1 447 . 1 . 1 43 43 GLN HA H 1 4.271 0.020 . 1 . . . . B 43 GLN HA . 35015 1 448 . 1 . 1 43 43 GLN HB2 H 1 1.979 0.020 . 2 . . . . B 43 GLN HB2 . 35015 1 449 . 1 . 1 43 43 GLN HB3 H 1 2.122 0.020 . 2 . . . . B 43 GLN HB3 . 35015 1 450 . 1 . 1 43 43 GLN HG2 H 1 2.348 0.006 . 2 . . . . B 43 GLN HG2 . 35015 1 451 . 1 . 1 43 43 GLN HG3 H 1 2.348 0.006 . 2 . . . . B 43 GLN HG3 . 35015 1 452 . 1 . 1 43 43 GLN HE21 H 1 7.511 0.020 . 2 . . . . B 43 GLN HE21 . 35015 1 453 . 1 . 1 43 43 GLN HE22 H 1 6.847 0.020 . 2 . . . . B 43 GLN HE22 . 35015 1 454 . 1 . 1 43 43 GLN CA C 13 56.138 0.300 . 1 . . . . B 43 GLN CA . 35015 1 455 . 1 . 1 43 43 GLN CB C 13 29.305 0.002 . 1 . . . . B 43 GLN CB . 35015 1 456 . 1 . 1 43 43 GLN CG C 13 33.800 0.001 . 1 . . . . B 43 GLN CG . 35015 1 457 . 1 . 1 43 43 GLN N N 15 121.125 0.500 . 1 . . . . B 43 GLN N . 35015 1 458 . 1 . 1 43 43 GLN NE2 N 15 112.505 0.500 . 1 . . . . B 43 GLN NE2 . 35015 1 459 . 1 . 1 44 44 LYS H H 1 8.358 0.020 . 1 . . . . B 44 LYS H . 35015 1 460 . 1 . 1 44 44 LYS HA H 1 4.286 0.020 . 1 . . . . B 44 LYS HA . 35015 1 461 . 1 . 1 44 44 LYS HB2 H 1 1.793 0.020 . 2 . . . . B 44 LYS HB2 . 35015 1 462 . 1 . 1 44 44 LYS HB3 H 1 1.841 0.020 . 2 . . . . B 44 LYS HB3 . 35015 1 463 . 1 . 1 44 44 LYS HG2 H 1 1.410 0.020 . 2 . . . . B 44 LYS HG2 . 35015 1 464 . 1 . 1 44 44 LYS HG3 H 1 1.446 0.020 . 2 . . . . B 44 LYS HG3 . 35015 1 465 . 1 . 1 44 44 LYS HD2 H 1 1.675 0.020 . 2 . . . . B 44 LYS HD2 . 35015 1 466 . 1 . 1 44 44 LYS HD3 H 1 1.675 0.020 . 2 . . . . B 44 LYS HD3 . 35015 1 467 . 1 . 1 44 44 LYS HE2 H 1 2.981 0.020 . 2 . . . . B 44 LYS HE2 . 35015 1 468 . 1 . 1 44 44 LYS HE3 H 1 2.984 0.020 . 2 . . . . B 44 LYS HE3 . 35015 1 469 . 1 . 1 44 44 LYS CA C 13 56.673 0.300 . 1 . . . . B 44 LYS CA . 35015 1 470 . 1 . 1 44 44 LYS CB C 13 32.804 0.001 . 1 . . . . B 44 LYS CB . 35015 1 471 . 1 . 1 44 44 LYS CG C 13 24.799 0.002 . 1 . . . . B 44 LYS CG . 35015 1 472 . 1 . 1 44 44 LYS CD C 13 28.934 0.300 . 1 . . . . B 44 LYS CD . 35015 1 473 . 1 . 1 44 44 LYS CE C 13 41.905 0.054 . 1 . . . . B 44 LYS CE . 35015 1 474 . 1 . 1 44 44 LYS N N 15 122.122 0.500 . 1 . . . . B 44 LYS N . 35015 1 475 . 1 . 1 45 45 SER H H 1 8.246 0.020 . 1 . . . . B 45 SER H . 35015 1 476 . 1 . 1 45 45 SER HA H 1 4.412 0.020 . 1 . . . . B 45 SER HA . 35015 1 477 . 1 . 1 45 45 SER HB2 H 1 3.865 0.020 . 2 . . . . B 45 SER HB2 . 35015 1 478 . 1 . 1 45 45 SER HB3 H 1 3.822 0.020 . 2 . . . . B 45 SER HB3 . 35015 1 479 . 1 . 1 45 45 SER CA C 13 58.372 0.300 . 1 . . . . B 45 SER CA . 35015 1 480 . 1 . 1 45 45 SER CB C 13 63.743 0.004 . 1 . . . . B 45 SER CB . 35015 1 481 . 1 . 1 45 45 SER N N 15 116.565 0.500 . 1 . . . . B 45 SER N . 35015 1 482 . 1 . 1 46 46 ALA H H 1 8.373 0.020 . 1 . . . . B 46 ALA H . 35015 1 483 . 1 . 1 46 46 ALA HA H 1 4.364 0.020 . 1 . . . . B 46 ALA HA . 35015 1 484 . 1 . 1 46 46 ALA HB1 H 1 1.415 0.020 . 1 . . . . B 46 ALA HB1 . 35015 1 485 . 1 . 1 46 46 ALA HB2 H 1 1.415 0.020 . 1 . . . . B 46 ALA HB2 . 35015 1 486 . 1 . 1 46 46 ALA HB3 H 1 1.415 0.020 . 1 . . . . B 46 ALA HB3 . 35015 1 487 . 1 . 1 46 46 ALA CA C 13 52.884 0.300 . 1 . . . . B 46 ALA CA . 35015 1 488 . 1 . 1 46 46 ALA CB C 13 19.082 0.300 . 1 . . . . B 46 ALA CB . 35015 1 489 . 1 . 1 46 46 ALA N N 15 126.138 0.500 . 1 . . . . B 46 ALA N . 35015 1 490 . 1 . 1 47 47 THR H H 1 8.032 0.020 . 1 . . . . B 47 THR H . 35015 1 491 . 1 . 1 47 47 THR HA H 1 4.288 0.020 . 1 . . . . B 47 THR HA . 35015 1 492 . 1 . 1 47 47 THR HB H 1 4.229 0.020 . 1 . . . . B 47 THR HB . 35015 1 493 . 1 . 1 47 47 THR HG21 H 1 1.208 0.020 . 1 . . . . B 47 THR HG21 . 35015 1 494 . 1 . 1 47 47 THR HG22 H 1 1.208 0.020 . 1 . . . . B 47 THR HG22 . 35015 1 495 . 1 . 1 47 47 THR HG23 H 1 1.208 0.020 . 1 . . . . B 47 THR HG23 . 35015 1 496 . 1 . 1 47 47 THR CA C 13 61.817 0.300 . 1 . . . . B 47 THR CA . 35015 1 497 . 1 . 1 47 47 THR CB C 13 69.683 0.300 . 1 . . . . B 47 THR CB . 35015 1 498 . 1 . 1 47 47 THR CG2 C 13 21.615 0.300 . 1 . . . . B 47 THR CG2 . 35015 1 499 . 1 . 1 47 47 THR N N 15 112.582 0.500 . 1 . . . . B 47 THR N . 35015 1 500 . 1 . 1 48 48 ALA H H 1 8.197 0.020 . 1 . . . . B 48 ALA H . 35015 1 501 . 1 . 1 48 48 ALA HA H 1 4.278 0.020 . 1 . . . . B 48 ALA HA . 35015 1 502 . 1 . 1 48 48 ALA HB1 H 1 1.378 0.020 . 1 . . . . B 48 ALA HB1 . 35015 1 503 . 1 . 1 48 48 ALA HB2 H 1 1.378 0.020 . 1 . . . . B 48 ALA HB2 . 35015 1 504 . 1 . 1 48 48 ALA HB3 H 1 1.378 0.020 . 1 . . . . B 48 ALA HB3 . 35015 1 505 . 1 . 1 48 48 ALA CA C 13 52.836 0.300 . 1 . . . . B 48 ALA CA . 35015 1 506 . 1 . 1 48 48 ALA CB C 13 19.153 0.300 . 1 . . . . B 48 ALA CB . 35015 1 507 . 1 . 1 48 48 ALA N N 15 126.208 0.500 . 1 . . . . B 48 ALA N . 35015 1 508 . 1 . 1 49 49 GLU H H 1 8.333 0.020 . 1 . . . . B 49 GLU H . 35015 1 509 . 1 . 1 49 49 GLU HA H 1 4.219 0.020 . 1 . . . . B 49 GLU HA . 35015 1 510 . 1 . 1 49 49 GLU HB2 H 1 1.926 0.020 . 2 . . . . B 49 GLU HB2 . 35015 1 511 . 1 . 1 49 49 GLU HB3 H 1 2.015 0.020 . 2 . . . . B 49 GLU HB3 . 35015 1 512 . 1 . 1 49 49 GLU HG2 H 1 2.230 0.020 . 2 . . . . B 49 GLU HG2 . 35015 1 513 . 1 . 1 49 49 GLU HG3 H 1 2.326 0.020 . 2 . . . . B 49 GLU HG3 . 35015 1 514 . 1 . 1 49 49 GLU CA C 13 56.732 0.300 . 1 . . . . B 49 GLU CA . 35015 1 515 . 1 . 1 49 49 GLU CB C 13 30.127 0.005 . 1 . . . . B 49 GLU CB . 35015 1 516 . 1 . 1 49 49 GLU CG C 13 36.306 0.016 . 1 . . . . B 49 GLU CG . 35015 1 517 . 1 . 1 49 49 GLU N N 15 119.870 0.500 . 1 . . . . B 49 GLU N . 35015 1 518 . 1 . 1 50 50 LEU H H 1 8.205 0.020 . 1 . . . . B 50 LEU H . 35015 1 519 . 1 . 1 50 50 LEU HA H 1 4.372 0.020 . 1 . . . . B 50 LEU HA . 35015 1 520 . 1 . 1 50 50 LEU HB2 H 1 1.628 0.036 . 2 . . . . B 50 LEU HB2 . 35015 1 521 . 1 . 1 50 50 LEU HB3 H 1 1.628 0.036 . 2 . . . . B 50 LEU HB3 . 35015 1 522 . 1 . 1 50 50 LEU HG H 1 1.618 0.020 . 1 . . . . B 50 LEU HG . 35015 1 523 . 1 . 1 50 50 LEU HD11 H 1 0.846 0.020 . 1 . . . . B 50 LEU HD11 . 35015 1 524 . 1 . 1 50 50 LEU HD12 H 1 0.846 0.020 . 1 . . . . B 50 LEU HD12 . 35015 1 525 . 1 . 1 50 50 LEU HD13 H 1 0.846 0.020 . 1 . . . . B 50 LEU HD13 . 35015 1 526 . 1 . 1 50 50 LEU HD21 H 1 0.908 0.020 . 1 . . . . B 50 LEU HD21 . 35015 1 527 . 1 . 1 50 50 LEU HD22 H 1 0.908 0.020 . 1 . . . . B 50 LEU HD22 . 35015 1 528 . 1 . 1 50 50 LEU HD23 H 1 0.908 0.020 . 1 . . . . B 50 LEU HD23 . 35015 1 529 . 1 . 1 50 50 LEU CA C 13 55.207 0.300 . 1 . . . . B 50 LEU CA . 35015 1 530 . 1 . 1 50 50 LEU CB C 13 42.245 0.001 . 1 . . . . B 50 LEU CB . 35015 1 531 . 1 . 1 50 50 LEU CG C 13 26.954 0.300 . 1 . . . . B 50 LEU CG . 35015 1 532 . 1 . 1 50 50 LEU CD1 C 13 23.356 0.300 . 1 . . . . B 50 LEU CD1 . 35015 1 533 . 1 . 1 50 50 LEU CD2 C 13 24.887 0.300 . 1 . . . . B 50 LEU CD2 . 35015 1 534 . 1 . 1 50 50 LEU N N 15 122.880 0.500 . 1 . . . . B 50 LEU N . 35015 1 535 . 1 . 1 51 51 SER H H 1 8.277 0.020 . 1 . . . . B 51 SER H . 35015 1 536 . 1 . 1 51 51 SER HA H 1 4.433 0.020 . 1 . . . . B 51 SER HA . 35015 1 537 . 1 . 1 51 51 SER HB2 H 1 3.866 0.019 . 2 . . . . B 51 SER HB2 . 35015 1 538 . 1 . 1 51 51 SER HB3 H 1 3.866 0.019 . 2 . . . . B 51 SER HB3 . 35015 1 539 . 1 . 1 51 51 SER CA C 13 58.441 0.300 . 1 . . . . B 51 SER CA . 35015 1 540 . 1 . 1 51 51 SER CB C 13 63.740 0.004 . 1 . . . . B 51 SER CB . 35015 1 541 . 1 . 1 51 51 SER N N 15 116.327 0.500 . 1 . . . . B 51 SER N . 35015 1 542 . 1 . 1 52 52 GLY H H 1 8.346 0.020 . 1 . . . . B 52 GLY H . 35015 1 543 . 1 . 1 52 52 GLY HA2 H 1 3.948 0.020 . 2 . . . . B 52 GLY HA2 . 35015 1 544 . 1 . 1 52 52 GLY HA3 H 1 3.948 0.020 . 2 . . . . B 52 GLY HA3 . 35015 1 545 . 1 . 1 52 52 GLY CA C 13 45.371 0.300 . 1 . . . . B 52 GLY CA . 35015 1 546 . 1 . 1 52 52 GLY N N 15 110.654 0.500 . 1 . . . . B 52 GLY N . 35015 1 547 . 1 . 1 53 53 GLY H H 1 8.153 0.020 . 1 . . . . B 53 GLY H . 35015 1 548 . 1 . 1 53 53 GLY HA2 H 1 3.856 0.020 . 2 . . . . B 53 GLY HA2 . 35015 1 549 . 1 . 1 53 53 GLY HA3 H 1 3.830 0.020 . 2 . . . . B 53 GLY HA3 . 35015 1 550 . 1 . 1 53 53 GLY CA C 13 45.111 0.001 . 1 . . . . B 53 GLY CA . 35015 1 551 . 1 . 1 53 53 GLY N N 15 108.673 0.500 . 1 . . . . B 53 GLY N . 35015 1 552 . 1 . 1 54 54 TYR H H 1 7.553 0.020 . 1 . . . . B 54 TYR H . 35015 1 553 . 1 . 1 54 54 TYR HA H 1 4.372 0.020 . 1 . . . . B 54 TYR HA . 35015 1 554 . 1 . 1 54 54 TYR HB2 H 1 2.858 0.020 . 2 . . . . B 54 TYR HB2 . 35015 1 555 . 1 . 1 54 54 TYR HB3 H 1 3.068 0.020 . 2 . . . . B 54 TYR HB3 . 35015 1 556 . 1 . 1 54 54 TYR HD1 H 1 7.085 0.020 . 3 . . . . B 54 TYR HD1 . 35015 1 557 . 1 . 1 54 54 TYR HD2 H 1 7.085 0.020 . 3 . . . . B 54 TYR HD2 . 35015 1 558 . 1 . 1 54 54 TYR HE1 H 1 6.806 0.020 . 3 . . . . B 54 TYR HE1 . 35015 1 559 . 1 . 1 54 54 TYR HE2 H 1 6.806 0.020 . 3 . . . . B 54 TYR HE2 . 35015 1 560 . 1 . 1 54 54 TYR CA C 13 59.117 0.300 . 1 . . . . B 54 TYR CA . 35015 1 561 . 1 . 1 54 54 TYR CB C 13 39.494 0.300 . 1 . . . . B 54 TYR CB . 35015 1 562 . 1 . 1 54 54 TYR CD1 C 13 133.278 0.300 . 1 . . . . B 54 TYR CD1 . 35015 1 563 . 1 . 1 54 54 TYR CD2 C 13 133.278 0.300 . 1 . . . . B 54 TYR CD2 . 35015 1 564 . 1 . 1 54 54 TYR CE1 C 13 117.964 0.300 . 1 . . . . B 54 TYR CE1 . 35015 1 565 . 1 . 1 54 54 TYR CE2 C 13 117.964 0.300 . 1 . . . . B 54 TYR CE2 . 35015 1 566 . 1 . 1 54 54 TYR N N 15 124.452 0.500 . 1 . . . . B 54 TYR N . 35015 1 567 . 2 . 2 1 1 THR HA H 1 3.847 0.020 . 1 . . . . A 65 THR HA . 35015 1 568 . 2 . 2 1 1 THR HB H 1 4.151 0.020 . 1 . . . . A 65 THR HB . 35015 1 569 . 2 . 2 1 1 THR HG21 H 1 1.301 0.020 . 1 . . . . A 65 THR HG21 . 35015 1 570 . 2 . 2 1 1 THR HG22 H 1 1.301 0.020 . 1 . . . . A 65 THR HG22 . 35015 1 571 . 2 . 2 1 1 THR HG23 H 1 1.301 0.020 . 1 . . . . A 65 THR HG23 . 35015 1 572 . 2 . 2 1 1 THR CA C 13 61.532 0.300 . 1 . . . . A 65 THR CA . 35015 1 573 . 2 . 2 1 1 THR CB C 13 69.149 0.300 . 1 . . . . A 65 THR CB . 35015 1 574 . 2 . 2 1 1 THR CG2 C 13 21.322 0.300 . 1 . . . . A 65 THR CG2 . 35015 1 575 . 2 . 2 2 2 GLY HA2 H 1 4.007 0.020 . 2 . . . . A 66 GLY HA2 . 35015 1 576 . 2 . 2 2 2 GLY HA3 H 1 4.054 0.020 . 2 . . . . A 66 GLY HA3 . 35015 1 577 . 2 . 2 2 2 GLY CA C 13 44.925 0.300 . 1 . . . . A 66 GLY CA . 35015 1 578 . 2 . 2 3 3 VAL H H 1 8.117 0.020 . 1 . . . . A 67 VAL H . 35015 1 579 . 2 . 2 3 3 VAL HA H 1 4.108 0.020 . 1 . . . . A 67 VAL HA . 35015 1 580 . 2 . 2 3 3 VAL HB H 1 2.040 0.020 . 1 . . . . A 67 VAL HB . 35015 1 581 . 2 . 2 3 3 VAL HG11 H 1 0.912 0.020 . 1 . . . . A 67 VAL HG11 . 35015 1 582 . 2 . 2 3 3 VAL HG12 H 1 0.912 0.020 . 1 . . . . A 67 VAL HG12 . 35015 1 583 . 2 . 2 3 3 VAL HG13 H 1 0.912 0.020 . 1 . . . . A 67 VAL HG13 . 35015 1 584 . 2 . 2 3 3 VAL HG21 H 1 0.907 0.020 . 1 . . . . A 67 VAL HG21 . 35015 1 585 . 2 . 2 3 3 VAL HG22 H 1 0.907 0.020 . 1 . . . . A 67 VAL HG22 . 35015 1 586 . 2 . 2 3 3 VAL HG23 H 1 0.907 0.020 . 1 . . . . A 67 VAL HG23 . 35015 1 587 . 2 . 2 3 3 VAL CA C 13 61.982 0.300 . 1 . . . . A 67 VAL CA . 35015 1 588 . 2 . 2 3 3 VAL CB C 13 32.868 0.300 . 1 . . . . A 67 VAL CB . 35015 1 589 . 2 . 2 3 3 VAL CG1 C 13 21.066 0.300 . 1 . . . . A 67 VAL CG1 . 35015 1 590 . 2 . 2 3 3 VAL CG2 C 13 20.267 0.300 . 1 . . . . A 67 VAL CG2 . 35015 1 591 . 2 . 2 3 3 VAL N N 15 119.656 0.500 . 1 . . . . A 67 VAL N . 35015 1 592 . 2 . 2 4 4 ALA H H 1 8.360 0.020 . 1 . . . . A 68 ALA H . 35015 1 593 . 2 . 2 4 4 ALA HA H 1 4.327 0.020 . 1 . . . . A 68 ALA HA . 35015 1 594 . 2 . 2 4 4 ALA HB1 H 1 1.335 0.020 . 1 . . . . A 68 ALA HB1 . 35015 1 595 . 2 . 2 4 4 ALA HB2 H 1 1.335 0.020 . 1 . . . . A 68 ALA HB2 . 35015 1 596 . 2 . 2 4 4 ALA HB3 H 1 1.335 0.020 . 1 . . . . A 68 ALA HB3 . 35015 1 597 . 2 . 2 4 4 ALA CA C 13 52.240 0.300 . 1 . . . . A 68 ALA CA . 35015 1 598 . 2 . 2 4 4 ALA CB C 13 19.212 0.300 . 1 . . . . A 68 ALA CB . 35015 1 599 . 2 . 2 4 4 ALA N N 15 128.217 0.500 . 1 . . . . A 68 ALA N . 35015 1 600 . 2 . 2 5 5 VAL H H 1 8.110 0.020 . 1 . . . . A 69 VAL H . 35015 1 601 . 2 . 2 5 5 VAL HA H 1 4.064 0.020 . 1 . . . . A 69 VAL HA . 35015 1 602 . 2 . 2 5 5 VAL HB H 1 1.998 0.020 . 1 . . . . A 69 VAL HB . 35015 1 603 . 2 . 2 5 5 VAL HG11 H 1 0.905 0.020 . 1 . . . . A 69 VAL HG11 . 35015 1 604 . 2 . 2 5 5 VAL HG12 H 1 0.905 0.020 . 1 . . . . A 69 VAL HG12 . 35015 1 605 . 2 . 2 5 5 VAL HG13 H 1 0.905 0.020 . 1 . . . . A 69 VAL HG13 . 35015 1 606 . 2 . 2 5 5 VAL HG21 H 1 0.890 0.020 . 1 . . . . A 69 VAL HG21 . 35015 1 607 . 2 . 2 5 5 VAL HG22 H 1 0.890 0.020 . 1 . . . . A 69 VAL HG22 . 35015 1 608 . 2 . 2 5 5 VAL HG23 H 1 0.890 0.020 . 1 . . . . A 69 VAL HG23 . 35015 1 609 . 2 . 2 5 5 VAL CA C 13 61.852 0.300 . 1 . . . . A 69 VAL CA . 35015 1 610 . 2 . 2 5 5 VAL CB C 13 32.835 0.300 . 1 . . . . A 69 VAL CB . 35015 1 611 . 2 . 2 5 5 VAL CG1 C 13 20.556 0.300 . 1 . . . . A 69 VAL CG1 . 35015 1 612 . 2 . 2 5 5 VAL CG2 C 13 21.196 0.300 . 1 . . . . A 69 VAL CG2 . 35015 1 613 . 2 . 2 5 5 VAL N N 15 120.346 0.500 . 1 . . . . A 69 VAL N . 35015 1 614 . 2 . 2 6 6 LEU H H 1 8.334 0.020 . 1 . . . . A 70 LEU H . 35015 1 615 . 2 . 2 6 6 LEU HA H 1 4.611 0.020 . 1 . . . . A 70 LEU HA . 35015 1 616 . 2 . 2 6 6 LEU HB2 H 1 1.529 0.020 . 2 . . . . A 70 LEU HB2 . 35015 1 617 . 2 . 2 6 6 LEU HB3 H 1 1.591 0.020 . 2 . . . . A 70 LEU HB3 . 35015 1 618 . 2 . 2 6 6 LEU HG H 1 1.656 0.020 . 1 . . . . A 70 LEU HG . 35015 1 619 . 2 . 2 6 6 LEU HD11 H 1 0.880 0.020 . 1 . . . . A 70 LEU HD11 . 35015 1 620 . 2 . 2 6 6 LEU HD12 H 1 0.880 0.020 . 1 . . . . A 70 LEU HD12 . 35015 1 621 . 2 . 2 6 6 LEU HD13 H 1 0.880 0.020 . 1 . . . . A 70 LEU HD13 . 35015 1 622 . 2 . 2 6 6 LEU HD21 H 1 0.910 0.020 . 1 . . . . A 70 LEU HD21 . 35015 1 623 . 2 . 2 6 6 LEU HD22 H 1 0.910 0.020 . 1 . . . . A 70 LEU HD22 . 35015 1 624 . 2 . 2 6 6 LEU HD23 H 1 0.910 0.020 . 1 . . . . A 70 LEU HD23 . 35015 1 625 . 2 . 2 6 6 LEU CA C 13 52.892 0.300 . 1 . . . . A 70 LEU CA . 35015 1 626 . 2 . 2 6 6 LEU CB C 13 41.811 0.002 . 1 . . . . A 70 LEU CB . 35015 1 627 . 2 . 2 6 6 LEU CG C 13 27.076 0.300 . 1 . . . . A 70 LEU CG . 35015 1 628 . 2 . 2 6 6 LEU CD1 C 13 23.372 0.300 . 1 . . . . A 70 LEU CD1 . 35015 1 629 . 2 . 2 6 6 LEU CD2 C 13 25.176 0.300 . 1 . . . . A 70 LEU CD2 . 35015 1 630 . 2 . 2 6 6 LEU N N 15 127.839 0.500 . 1 . . . . A 70 LEU N . 35015 1 631 . 2 . 2 7 7 PRO HA H 1 4.340 0.020 . 1 . . . . A 71 PRO HA . 35015 1 632 . 2 . 2 7 7 PRO HB2 H 1 1.777 0.020 . 2 . . . . A 71 PRO HB2 . 35015 1 633 . 2 . 2 7 7 PRO HB3 H 1 2.271 0.020 . 2 . . . . A 71 PRO HB3 . 35015 1 634 . 2 . 2 7 7 PRO HG2 H 1 1.995 0.020 . 2 . . . . A 71 PRO HG2 . 35015 1 635 . 2 . 2 7 7 PRO HG3 H 1 1.995 0.020 . 2 . . . . A 71 PRO HG3 . 35015 1 636 . 2 . 2 7 7 PRO HD2 H 1 3.614 0.020 . 2 . . . . A 71 PRO HD2 . 35015 1 637 . 2 . 2 7 7 PRO HD3 H 1 3.858 0.020 . 2 . . . . A 71 PRO HD3 . 35015 1 638 . 2 . 2 7 7 PRO CA C 13 63.261 0.300 . 1 . . . . A 71 PRO CA . 35015 1 639 . 2 . 2 7 7 PRO CB C 13 32.121 0.001 . 1 . . . . A 71 PRO CB . 35015 1 640 . 2 . 2 7 7 PRO CG C 13 27.530 0.300 . 1 . . . . A 71 PRO CG . 35015 1 641 . 2 . 2 7 7 PRO CD C 13 50.606 0.013 . 1 . . . . A 71 PRO CD . 35015 1 642 . 2 . 2 8 8 ALA H H 1 8.333 0.020 . 1 . . . . A 72 ALA H . 35015 1 643 . 2 . 2 8 8 ALA HA H 1 4.164 0.020 . 1 . . . . A 72 ALA HA . 35015 1 644 . 2 . 2 8 8 ALA HB1 H 1 1.305 0.020 . 1 . . . . A 72 ALA HB1 . 35015 1 645 . 2 . 2 8 8 ALA HB2 H 1 1.305 0.020 . 1 . . . . A 72 ALA HB2 . 35015 1 646 . 2 . 2 8 8 ALA HB3 H 1 1.305 0.020 . 1 . . . . A 72 ALA HB3 . 35015 1 647 . 2 . 2 8 8 ALA CA C 13 53.146 0.300 . 1 . . . . A 72 ALA CA . 35015 1 648 . 2 . 2 8 8 ALA CB C 13 18.847 0.300 . 1 . . . . A 72 ALA CB . 35015 1 649 . 2 . 2 8 8 ALA N N 15 123.458 0.500 . 1 . . . . A 72 ALA N . 35015 1 650 . 2 . 2 9 9 PHE H H 1 8.088 0.020 . 1 . . . . A 73 PHE H . 35015 1 651 . 2 . 2 9 9 PHE HA H 1 4.542 0.020 . 1 . . . . A 73 PHE HA . 35015 1 652 . 2 . 2 9 9 PHE HB2 H 1 3.111 0.008 . 2 . . . . A 73 PHE HB2 . 35015 1 653 . 2 . 2 9 9 PHE HB3 H 1 3.111 0.008 . 2 . . . . A 73 PHE HB3 . 35015 1 654 . 2 . 2 9 9 PHE HD1 H 1 7.233 0.020 . 3 . . . . A 73 PHE HD1 . 35015 1 655 . 2 . 2 9 9 PHE HD2 H 1 7.233 0.020 . 3 . . . . A 73 PHE HD2 . 35015 1 656 . 2 . 2 9 9 PHE HE1 H 1 7.345 0.020 . 3 . . . . A 73 PHE HE1 . 35015 1 657 . 2 . 2 9 9 PHE HE2 H 1 7.345 0.020 . 3 . . . . A 73 PHE HE2 . 35015 1 658 . 2 . 2 9 9 PHE HZ H 1 7.300 0.020 . 1 . . . . A 73 PHE HZ . 35015 1 659 . 2 . 2 9 9 PHE CA C 13 58.059 0.300 . 1 . . . . A 73 PHE CA . 35015 1 660 . 2 . 2 9 9 PHE CB C 13 39.181 0.001 . 1 . . . . A 73 PHE CB . 35015 1 661 . 2 . 2 9 9 PHE CD1 C 13 131.904 0.300 . 1 . . . . A 73 PHE CD1 . 35015 1 662 . 2 . 2 9 9 PHE CD2 C 13 131.904 0.300 . 1 . . . . A 73 PHE CD2 . 35015 1 663 . 2 . 2 9 9 PHE CE1 C 13 131.434 0.300 . 1 . . . . A 73 PHE CE1 . 35015 1 664 . 2 . 2 9 9 PHE CE2 C 13 131.434 0.300 . 1 . . . . A 73 PHE CE2 . 35015 1 665 . 2 . 2 9 9 PHE CZ C 13 129.951 0.300 . 1 . . . . A 73 PHE CZ . 35015 1 666 . 2 . 2 9 9 PHE N N 15 118.173 0.500 . 1 . . . . A 73 PHE N . 35015 1 667 . 2 . 2 10 10 GLN H H 1 7.980 0.020 . 1 . . . . A 74 GLN H . 35015 1 668 . 2 . 2 10 10 GLN HA H 1 4.156 0.020 . 1 . . . . A 74 GLN HA . 35015 1 669 . 2 . 2 10 10 GLN HB2 H 1 1.893 0.020 . 2 . . . . A 74 GLN HB2 . 35015 1 670 . 2 . 2 10 10 GLN HB3 H 1 2.014 0.020 . 2 . . . . A 74 GLN HB3 . 35015 1 671 . 2 . 2 10 10 GLN HG2 H 1 2.263 0.020 . 2 . . . . A 74 GLN HG2 . 35015 1 672 . 2 . 2 10 10 GLN HG3 H 1 2.222 0.020 . 2 . . . . A 74 GLN HG3 . 35015 1 673 . 2 . 2 10 10 GLN HE21 H 1 6.841 0.020 . 2 . . . . A 74 GLN HE21 . 35015 1 674 . 2 . 2 10 10 GLN HE22 H 1 7.453 0.020 . 2 . . . . A 74 GLN HE22 . 35015 1 675 . 2 . 2 10 10 GLN CA C 13 56.199 0.300 . 1 . . . . A 74 GLN CA . 35015 1 676 . 2 . 2 10 10 GLN CB C 13 29.338 0.007 . 1 . . . . A 74 GLN CB . 35015 1 677 . 2 . 2 10 10 GLN CG C 13 33.766 0.001 . 1 . . . . A 74 GLN CG . 35015 1 678 . 2 . 2 10 10 GLN N N 15 121.532 0.500 . 1 . . . . A 74 GLN N . 35015 1 679 . 2 . 2 10 10 GLN NE2 N 15 112.348 0.001 . 1 . . . . A 74 GLN NE2 . 35015 1 680 . 2 . 2 11 11 GLN H H 1 8.222 0.020 . 1 . . . . A 75 GLN H . 35015 1 681 . 2 . 2 11 11 GLN HA H 1 4.165 0.020 . 1 . . . . A 75 GLN HA . 35015 1 682 . 2 . 2 11 11 GLN HB2 H 1 2.067 0.020 . 2 . . . . A 75 GLN HB2 . 35015 1 683 . 2 . 2 11 11 GLN HB3 H 1 1.989 0.020 . 2 . . . . A 75 GLN HB3 . 35015 1 684 . 2 . 2 11 11 GLN HG2 H 1 2.347 0.020 . 2 . . . . A 75 GLN HG2 . 35015 1 685 . 2 . 2 11 11 GLN HG3 H 1 2.347 0.020 . 2 . . . . A 75 GLN HG3 . 35015 1 686 . 2 . 2 11 11 GLN HE21 H 1 6.845 0.020 . 2 . . . . A 75 GLN HE21 . 35015 1 687 . 2 . 2 11 11 GLN HE22 H 1 7.571 0.020 . 2 . . . . A 75 GLN HE22 . 35015 1 688 . 2 . 2 11 11 GLN CA C 13 56.658 0.300 . 1 . . . . A 75 GLN CA . 35015 1 689 . 2 . 2 11 11 GLN CB C 13 29.187 0.008 . 1 . . . . A 75 GLN CB . 35015 1 690 . 2 . 2 11 11 GLN CG C 13 33.709 0.300 . 1 . . . . A 75 GLN CG . 35015 1 691 . 2 . 2 11 11 GLN N N 15 121.264 0.500 . 1 . . . . A 75 GLN N . 35015 1 692 . 2 . 2 11 11 GLN NE2 N 15 112.404 0.007 . 1 . . . . A 75 GLN NE2 . 35015 1 693 . 2 . 2 12 12 ALA H H 1 8.220 0.020 . 1 . . . . A 76 ALA H . 35015 1 694 . 2 . 2 12 12 ALA HA H 1 4.254 0.020 . 1 . . . . A 76 ALA HA . 35015 1 695 . 2 . 2 12 12 ALA HB1 H 1 1.384 0.020 . 1 . . . . A 76 ALA HB1 . 35015 1 696 . 2 . 2 12 12 ALA HB2 H 1 1.384 0.020 . 1 . . . . A 76 ALA HB2 . 35015 1 697 . 2 . 2 12 12 ALA HB3 H 1 1.384 0.020 . 1 . . . . A 76 ALA HB3 . 35015 1 698 . 2 . 2 12 12 ALA CA C 13 52.944 0.300 . 1 . . . . A 76 ALA CA . 35015 1 699 . 2 . 2 12 12 ALA CB C 13 18.779 0.300 . 1 . . . . A 76 ALA CB . 35015 1 700 . 2 . 2 12 12 ALA N N 15 124.294 0.500 . 1 . . . . A 76 ALA N . 35015 1 701 . 2 . 2 13 13 LEU H H 1 8.063 0.020 . 1 . . . . A 77 LEU H . 35015 1 702 . 2 . 2 13 13 LEU HA H 1 4.217 0.020 . 1 . . . . A 77 LEU HA . 35015 1 703 . 2 . 2 13 13 LEU HB2 H 1 1.545 0.020 . 2 . . . . A 77 LEU HB2 . 35015 1 704 . 2 . 2 13 13 LEU HB3 H 1 1.656 0.020 . 2 . . . . A 77 LEU HB3 . 35015 1 705 . 2 . 2 13 13 LEU HG H 1 1.607 0.020 . 1 . . . . A 77 LEU HG . 35015 1 706 . 2 . 2 13 13 LEU HD11 H 1 0.847 0.020 . 1 . . . . A 77 LEU HD11 . 35015 1 707 . 2 . 2 13 13 LEU HD12 H 1 0.847 0.020 . 1 . . . . A 77 LEU HD12 . 35015 1 708 . 2 . 2 13 13 LEU HD13 H 1 0.847 0.020 . 1 . . . . A 77 LEU HD13 . 35015 1 709 . 2 . 2 13 13 LEU HD21 H 1 0.893 0.020 . 1 . . . . A 77 LEU HD21 . 35015 1 710 . 2 . 2 13 13 LEU HD22 H 1 0.893 0.020 . 1 . . . . A 77 LEU HD22 . 35015 1 711 . 2 . 2 13 13 LEU HD23 H 1 0.893 0.020 . 1 . . . . A 77 LEU HD23 . 35015 1 712 . 2 . 2 13 13 LEU CA C 13 55.972 0.300 . 1 . . . . A 77 LEU CA . 35015 1 713 . 2 . 2 13 13 LEU CB C 13 42.137 0.001 . 1 . . . . A 77 LEU CB . 35015 1 714 . 2 . 2 13 13 LEU CG C 13 26.961 0.300 . 1 . . . . A 77 LEU CG . 35015 1 715 . 2 . 2 13 13 LEU CD1 C 13 23.529 0.300 . 1 . . . . A 77 LEU CD1 . 35015 1 716 . 2 . 2 13 13 LEU CD2 C 13 24.912 0.300 . 1 . . . . A 77 LEU CD2 . 35015 1 717 . 2 . 2 13 13 LEU N N 15 120.824 0.500 . 1 . . . . A 77 LEU N . 35015 1 718 . 2 . 2 14 14 ASN H H 1 8.305 0.020 . 1 . . . . A 78 ASN H . 35015 1 719 . 2 . 2 14 14 ASN HA H 1 4.583 0.020 . 1 . . . . A 78 ASN HA . 35015 1 720 . 2 . 2 14 14 ASN HB2 H 1 2.811 0.020 . 2 . . . . A 78 ASN HB2 . 35015 1 721 . 2 . 2 14 14 ASN HB3 H 1 2.792 0.020 . 2 . . . . A 78 ASN HB3 . 35015 1 722 . 2 . 2 14 14 ASN HD21 H 1 7.587 0.020 . 2 . . . . A 78 ASN HD21 . 35015 1 723 . 2 . 2 14 14 ASN HD22 H 1 6.907 0.020 . 2 . . . . A 78 ASN HD22 . 35015 1 724 . 2 . 2 14 14 ASN CA C 13 53.840 0.300 . 1 . . . . A 78 ASN CA . 35015 1 725 . 2 . 2 14 14 ASN CB C 13 38.514 0.001 . 1 . . . . A 78 ASN CB . 35015 1 726 . 2 . 2 14 14 ASN N N 15 118.569 0.500 . 1 . . . . A 78 ASN N . 35015 1 727 . 2 . 2 14 14 ASN ND2 N 15 112.509 0.002 . 1 . . . . A 78 ASN ND2 . 35015 1 728 . 2 . 2 15 15 GLU H H 1 8.197 0.020 . 1 . . . . A 79 GLU H . 35015 1 729 . 2 . 2 15 15 GLU HA H 1 4.210 0.020 . 1 . . . . A 79 GLU HA . 35015 1 730 . 2 . 2 15 15 GLU HB2 H 1 2.059 0.020 . 2 . . . . A 79 GLU HB2 . 35015 1 731 . 2 . 2 15 15 GLU HB3 H 1 1.965 0.020 . 2 . . . . A 79 GLU HB3 . 35015 1 732 . 2 . 2 15 15 GLU HG2 H 1 2.227 0.020 . 2 . . . . A 79 GLU HG2 . 35015 1 733 . 2 . 2 15 15 GLU HG3 H 1 2.279 0.020 . 2 . . . . A 79 GLU HG3 . 35015 1 734 . 2 . 2 15 15 GLU CA C 13 57.070 0.300 . 1 . . . . A 79 GLU CA . 35015 1 735 . 2 . 2 15 15 GLU CB C 13 30.136 0.001 . 1 . . . . A 79 GLU CB . 35015 1 736 . 2 . 2 15 15 GLU CG C 13 36.293 0.001 . 1 . . . . A 79 GLU CG . 35015 1 737 . 2 . 2 15 15 GLU N N 15 120.596 0.500 . 1 . . . . A 79 GLU N . 35015 1 738 . 2 . 2 16 16 MET H H 1 8.165 0.020 . 1 . . . . A 80 MET H . 35015 1 739 . 2 . 2 16 16 MET HA H 1 4.378 0.020 . 1 . . . . A 80 MET HA . 35015 1 740 . 2 . 2 16 16 MET HB2 H 1 2.052 0.020 . 2 . . . . A 80 MET HB2 . 35015 1 741 . 2 . 2 16 16 MET HB3 H 1 2.079 0.020 . 2 . . . . A 80 MET HB3 . 35015 1 742 . 2 . 2 16 16 MET HG2 H 1 2.535 0.020 . 2 . . . . A 80 MET HG2 . 35015 1 743 . 2 . 2 16 16 MET HG3 H 1 2.620 0.020 . 2 . . . . A 80 MET HG3 . 35015 1 744 . 2 . 2 16 16 MET HE1 H 1 2.074 0.020 . 1 . . . . A 80 MET HE1 . 35015 1 745 . 2 . 2 16 16 MET HE2 H 1 2.074 0.020 . 1 . . . . A 80 MET HE2 . 35015 1 746 . 2 . 2 16 16 MET HE3 H 1 2.074 0.020 . 1 . . . . A 80 MET HE3 . 35015 1 747 . 2 . 2 16 16 MET CA C 13 56.053 0.300 . 1 . . . . A 80 MET CA . 35015 1 748 . 2 . 2 16 16 MET CB C 13 32.640 0.002 . 1 . . . . A 80 MET CB . 35015 1 749 . 2 . 2 16 16 MET CG C 13 32.063 0.300 . 1 . . . . A 80 MET CG . 35015 1 750 . 2 . 2 16 16 MET CE C 13 16.979 0.300 . 1 . . . . A 80 MET CE . 35015 1 751 . 2 . 2 16 16 MET N N 15 120.671 0.500 . 1 . . . . A 80 MET N . 35015 1 752 . 2 . 2 17 17 LYS H H 1 8.169 0.020 . 1 . . . . A 81 LYS H . 35015 1 753 . 2 . 2 17 17 LYS HA H 1 4.256 0.020 . 1 . . . . A 81 LYS HA . 35015 1 754 . 2 . 2 17 17 LYS HB2 H 1 1.765 0.020 . 2 . . . . A 81 LYS HB2 . 35015 1 755 . 2 . 2 17 17 LYS HB3 H 1 1.832 0.020 . 2 . . . . A 81 LYS HB3 . 35015 1 756 . 2 . 2 17 17 LYS HG2 H 1 1.411 0.020 . 2 . . . . A 81 LYS HG2 . 35015 1 757 . 2 . 2 17 17 LYS HG3 H 1 1.469 0.020 . 2 . . . . A 81 LYS HG3 . 35015 1 758 . 2 . 2 17 17 LYS HD2 H 1 1.672 0.020 . 2 . . . . A 81 LYS HD2 . 35015 1 759 . 2 . 2 17 17 LYS HD3 H 1 1.672 0.020 . 2 . . . . A 81 LYS HD3 . 35015 1 760 . 2 . 2 17 17 LYS HE2 H 1 2.961 0.020 . 2 . . . . A 81 LYS HE2 . 35015 1 761 . 2 . 2 17 17 LYS HE3 H 1 2.961 0.020 . 2 . . . . A 81 LYS HE3 . 35015 1 762 . 2 . 2 17 17 LYS CA C 13 56.554 0.300 . 1 . . . . A 81 LYS CA . 35015 1 763 . 2 . 2 17 17 LYS CB C 13 32.809 0.001 . 1 . . . . A 81 LYS CB . 35015 1 764 . 2 . 2 17 17 LYS CG C 13 24.864 0.006 . 1 . . . . A 81 LYS CG . 35015 1 765 . 2 . 2 17 17 LYS CD C 13 29.095 0.300 . 1 . . . . A 81 LYS CD . 35015 1 766 . 2 . 2 17 17 LYS CE C 13 42.047 0.300 . 1 . . . . A 81 LYS CE . 35015 1 767 . 2 . 2 17 17 LYS N N 15 121.918 0.500 . 1 . . . . A 81 LYS N . 35015 1 768 . 2 . 2 18 18 LYS H H 1 8.208 0.020 . 1 . . . . A 82 LYS H . 35015 1 769 . 2 . 2 18 18 LYS HA H 1 4.311 0.020 . 1 . . . . A 82 LYS HA . 35015 1 770 . 2 . 2 18 18 LYS HB2 H 1 1.761 0.020 . 2 . . . . A 82 LYS HB2 . 35015 1 771 . 2 . 2 18 18 LYS HB3 H 1 1.837 0.020 . 2 . . . . A 82 LYS HB3 . 35015 1 772 . 2 . 2 18 18 LYS HG2 H 1 1.460 0.020 . 2 . . . . A 82 LYS HG2 . 35015 1 773 . 2 . 2 18 18 LYS HG3 H 1 1.404 0.020 . 2 . . . . A 82 LYS HG3 . 35015 1 774 . 2 . 2 18 18 LYS HD2 H 1 1.666 0.020 . 2 . . . . A 82 LYS HD2 . 35015 1 775 . 2 . 2 18 18 LYS HD3 H 1 1.666 0.020 . 2 . . . . A 82 LYS HD3 . 35015 1 776 . 2 . 2 18 18 LYS HE2 H 1 2.967 0.020 . 2 . . . . A 82 LYS HE2 . 35015 1 777 . 2 . 2 18 18 LYS HE3 H 1 2.967 0.020 . 2 . . . . A 82 LYS HE3 . 35015 1 778 . 2 . 2 18 18 LYS CA C 13 56.487 0.300 . 1 . . . . A 82 LYS CA . 35015 1 779 . 2 . 2 18 18 LYS CB C 13 33.130 0.300 . 1 . . . . A 82 LYS CB . 35015 1 780 . 2 . 2 18 18 LYS CG C 13 24.865 0.002 . 1 . . . . A 82 LYS CG . 35015 1 781 . 2 . 2 18 18 LYS CD C 13 29.082 0.300 . 1 . . . . A 82 LYS CD . 35015 1 782 . 2 . 2 18 18 LYS CE C 13 41.842 0.300 . 1 . . . . A 82 LYS CE . 35015 1 783 . 2 . 2 18 18 LYS N N 15 122.258 0.500 . 1 . . . . A 82 LYS N . 35015 1 784 . 2 . 2 19 19 SER H H 1 8.288 0.020 . 1 . . . . A 83 SER H . 35015 1 785 . 2 . 2 19 19 SER HA H 1 4.449 0.020 . 1 . . . . A 83 SER HA . 35015 1 786 . 2 . 2 19 19 SER HB2 H 1 3.869 0.020 . 2 . . . . A 83 SER HB2 . 35015 1 787 . 2 . 2 19 19 SER HB3 H 1 3.869 0.020 . 2 . . . . A 83 SER HB3 . 35015 1 788 . 2 . 2 19 19 SER CA C 13 58.364 0.300 . 1 . . . . A 83 SER CA . 35015 1 789 . 2 . 2 19 19 SER CB C 13 63.663 0.300 . 1 . . . . A 83 SER CB . 35015 1 790 . 2 . 2 19 19 SER N N 15 117.115 0.500 . 1 . . . . A 83 SER N . 35015 1 791 . 2 . 2 20 20 VAL H H 1 8.172 0.020 . 1 . . . . A 84 VAL H . 35015 1 792 . 2 . 2 20 20 VAL HA H 1 4.163 0.020 . 1 . . . . A 84 VAL HA . 35015 1 793 . 2 . 2 20 20 VAL HB H 1 2.110 0.020 . 1 . . . . A 84 VAL HB . 35015 1 794 . 2 . 2 20 20 VAL HG11 H 1 0.935 0.020 . 1 . . . . A 84 VAL HG11 . 35015 1 795 . 2 . 2 20 20 VAL HG12 H 1 0.935 0.020 . 1 . . . . A 84 VAL HG12 . 35015 1 796 . 2 . 2 20 20 VAL HG13 H 1 0.935 0.020 . 1 . . . . A 84 VAL HG13 . 35015 1 797 . 2 . 2 20 20 VAL HG21 H 1 0.933 0.020 . 1 . . . . A 84 VAL HG21 . 35015 1 798 . 2 . 2 20 20 VAL HG22 H 1 0.933 0.020 . 1 . . . . A 84 VAL HG22 . 35015 1 799 . 2 . 2 20 20 VAL HG23 H 1 0.933 0.020 . 1 . . . . A 84 VAL HG23 . 35015 1 800 . 2 . 2 20 20 VAL CA C 13 62.458 0.300 . 1 . . . . A 84 VAL CA . 35015 1 801 . 2 . 2 20 20 VAL CB C 13 32.799 0.300 . 1 . . . . A 84 VAL CB . 35015 1 802 . 2 . 2 20 20 VAL CG1 C 13 20.507 0.300 . 1 . . . . A 84 VAL CG1 . 35015 1 803 . 2 . 2 20 20 VAL CG2 C 13 21.223 0.300 . 1 . . . . A 84 VAL CG2 . 35015 1 804 . 2 . 2 20 20 VAL N N 15 121.468 0.500 . 1 . . . . A 84 VAL N . 35015 1 805 . 2 . 2 21 21 SER H H 1 8.338 0.020 . 1 . . . . A 85 SER H . 35015 1 806 . 2 . 2 21 21 SER HA H 1 4.467 0.020 . 1 . . . . A 85 SER HA . 35015 1 807 . 2 . 2 21 21 SER HB2 H 1 3.838 0.020 . 2 . . . . A 85 SER HB2 . 35015 1 808 . 2 . 2 21 21 SER HB3 H 1 3.838 0.020 . 2 . . . . A 85 SER HB3 . 35015 1 809 . 2 . 2 21 21 SER CA C 13 58.372 0.300 . 1 . . . . A 85 SER CA . 35015 1 810 . 2 . 2 21 21 SER CB C 13 63.638 0.300 . 1 . . . . A 85 SER CB . 35015 1 811 . 2 . 2 21 21 SER N N 15 119.058 0.500 . 1 . . . . A 85 SER N . 35015 1 812 . 2 . 2 22 22 ILE H H 1 8.175 0.020 . 1 . . . . A 86 ILE H . 35015 1 813 . 2 . 2 22 22 ILE HA H 1 4.157 0.020 . 1 . . . . A 86 ILE HA . 35015 1 814 . 2 . 2 22 22 ILE HB H 1 1.870 0.020 . 1 . . . . A 86 ILE HB . 35015 1 815 . 2 . 2 22 22 ILE HG12 H 1 1.453 0.020 . 2 . . . . A 86 ILE HG12 . 35015 1 816 . 2 . 2 22 22 ILE HG13 H 1 1.172 0.020 . 2 . . . . A 86 ILE HG13 . 35015 1 817 . 2 . 2 22 22 ILE HG21 H 1 0.889 0.020 . 1 . . . . A 86 ILE HG21 . 35015 1 818 . 2 . 2 22 22 ILE HG22 H 1 0.889 0.020 . 1 . . . . A 86 ILE HG22 . 35015 1 819 . 2 . 2 22 22 ILE HG23 H 1 0.889 0.020 . 1 . . . . A 86 ILE HG23 . 35015 1 820 . 2 . 2 22 22 ILE HD11 H 1 0.834 0.020 . 1 . . . . A 86 ILE HD11 . 35015 1 821 . 2 . 2 22 22 ILE HD12 H 1 0.834 0.020 . 1 . . . . A 86 ILE HD12 . 35015 1 822 . 2 . 2 22 22 ILE HD13 H 1 0.834 0.020 . 1 . . . . A 86 ILE HD13 . 35015 1 823 . 2 . 2 22 22 ILE CA C 13 61.662 0.300 . 1 . . . . A 86 ILE CA . 35015 1 824 . 2 . 2 22 22 ILE CB C 13 38.629 0.300 . 1 . . . . A 86 ILE CB . 35015 1 825 . 2 . 2 22 22 ILE CG1 C 13 27.564 0.300 . 1 . . . . A 86 ILE CG1 . 35015 1 826 . 2 . 2 22 22 ILE CG2 C 13 17.554 0.300 . 1 . . . . A 86 ILE CG2 . 35015 1 827 . 2 . 2 22 22 ILE CD1 C 13 13.086 0.300 . 1 . . . . A 86 ILE CD1 . 35015 1 828 . 2 . 2 22 22 ILE N N 15 122.954 0.500 . 1 . . . . A 86 ILE N . 35015 1 829 . 2 . 2 23 23 GLN H H 1 8.392 0.020 . 1 . . . . A 87 GLN H . 35015 1 830 . 2 . 2 23 23 GLN HA H 1 4.304 0.020 . 1 . . . . A 87 GLN HA . 35015 1 831 . 2 . 2 23 23 GLN HB2 H 1 2.041 0.020 . 2 . . . . A 87 GLN HB2 . 35015 1 832 . 2 . 2 23 23 GLN HB3 H 1 2.145 0.020 . 2 . . . . A 87 GLN HB3 . 35015 1 833 . 2 . 2 23 23 GLN HG2 H 1 2.398 0.020 . 2 . . . . A 87 GLN HG2 . 35015 1 834 . 2 . 2 23 23 GLN HG3 H 1 2.398 0.020 . 2 . . . . A 87 GLN HG3 . 35015 1 835 . 2 . 2 23 23 GLN HE21 H 1 7.600 0.020 . 2 . . . . A 87 GLN HE21 . 35015 1 836 . 2 . 2 23 23 GLN HE22 H 1 6.832 0.020 . 2 . . . . A 87 GLN HE22 . 35015 1 837 . 2 . 2 23 23 GLN CA C 13 56.490 0.300 . 1 . . . . A 87 GLN CA . 35015 1 838 . 2 . 2 23 23 GLN CB C 13 29.096 0.001 . 1 . . . . A 87 GLN CB . 35015 1 839 . 2 . 2 23 23 GLN CG C 13 33.936 0.300 . 1 . . . . A 87 GLN CG . 35015 1 840 . 2 . 2 23 23 GLN N N 15 123.174 0.500 . 1 . . . . A 87 GLN N . 35015 1 841 . 2 . 2 23 23 GLN NE2 N 15 112.128 0.002 . 1 . . . . A 87 GLN NE2 . 35015 1 842 . 2 . 2 24 24 GLN H H 1 8.430 0.020 . 1 . . . . A 88 GLN H . 35015 1 843 . 2 . 2 24 24 GLN HA H 1 4.353 0.020 . 1 . . . . A 88 GLN HA . 35015 1 844 . 2 . 2 24 24 GLN HB2 H 1 2.053 0.020 . 2 . . . . A 88 GLN HB2 . 35015 1 845 . 2 . 2 24 24 GLN HB3 H 1 2.203 0.020 . 2 . . . . A 88 GLN HB3 . 35015 1 846 . 2 . 2 24 24 GLN HG2 H 1 2.399 0.020 . 2 . . . . A 88 GLN HG2 . 35015 1 847 . 2 . 2 24 24 GLN HG3 H 1 2.399 0.020 . 2 . . . . A 88 GLN HG3 . 35015 1 848 . 2 . 2 24 24 GLN HE21 H 1 6.827 0.020 . 2 . . . . A 88 GLN HE21 . 35015 1 849 . 2 . 2 24 24 GLN HE22 H 1 7.592 0.020 . 2 . . . . A 88 GLN HE22 . 35015 1 850 . 2 . 2 24 24 GLN CA C 13 56.514 0.300 . 1 . . . . A 88 GLN CA . 35015 1 851 . 2 . 2 24 24 GLN CB C 13 29.128 0.300 . 1 . . . . A 88 GLN CB . 35015 1 852 . 2 . 2 24 24 GLN CG C 13 33.788 0.300 . 1 . . . . A 88 GLN CG . 35015 1 853 . 2 . 2 24 24 GLN N N 15 121.194 0.500 . 1 . . . . A 88 GLN N . 35015 1 854 . 2 . 2 24 24 GLN NE2 N 15 112.127 0.001 . 1 . . . . A 88 GLN NE2 . 35015 1 855 . 2 . 2 25 25 ASP H H 1 8.364 0.020 . 1 . . . . A 89 ASP H . 35015 1 856 . 2 . 2 25 25 ASP HA H 1 4.636 0.020 . 1 . . . . A 89 ASP HA . 35015 1 857 . 2 . 2 25 25 ASP HB2 H 1 2.832 0.020 . 2 . . . . A 89 ASP HB2 . 35015 1 858 . 2 . 2 25 25 ASP HB3 H 1 2.706 0.020 . 2 . . . . A 89 ASP HB3 . 35015 1 859 . 2 . 2 25 25 ASP CA C 13 55.202 0.300 . 1 . . . . A 89 ASP CA . 35015 1 860 . 2 . 2 25 25 ASP CB C 13 41.257 0.300 . 1 . . . . A 89 ASP CB . 35015 1 861 . 2 . 2 25 25 ASP N N 15 121.501 0.500 . 1 . . . . A 89 ASP N . 35015 1 862 . 2 . 2 26 26 ASP H H 1 8.430 0.020 . 1 . . . . A 90 ASP H . 35015 1 863 . 2 . 2 26 26 ASP HA H 1 4.524 0.020 . 1 . . . . A 90 ASP HA . 35015 1 864 . 2 . 2 26 26 ASP HB2 H 1 2.751 0.020 . 2 . . . . A 90 ASP HB2 . 35015 1 865 . 2 . 2 26 26 ASP HB3 H 1 2.751 0.020 . 2 . . . . A 90 ASP HB3 . 35015 1 866 . 2 . 2 26 26 ASP CA C 13 56.596 0.300 . 1 . . . . A 90 ASP CA . 35015 1 867 . 2 . 2 26 26 ASP CB C 13 40.790 0.300 . 1 . . . . A 90 ASP CB . 35015 1 868 . 2 . 2 26 26 ASP N N 15 121.872 0.500 . 1 . . . . A 90 ASP N . 35015 1 869 . 2 . 2 27 27 LYS H H 1 8.422 0.020 . 1 . . . . A 91 LYS H . 35015 1 870 . 2 . 2 27 27 LYS HA H 1 4.186 0.020 . 1 . . . . A 91 LYS HA . 35015 1 871 . 2 . 2 27 27 LYS HB2 H 1 2.096 0.020 . 2 . . . . A 91 LYS HB2 . 35015 1 872 . 2 . 2 27 27 LYS HB3 H 1 2.166 0.020 . 2 . . . . A 91 LYS HB3 . 35015 1 873 . 2 . 2 27 27 LYS HG2 H 1 1.559 0.020 . 2 . . . . A 91 LYS HG2 . 35015 1 874 . 2 . 2 27 27 LYS HG3 H 1 1.710 0.020 . 2 . . . . A 91 LYS HG3 . 35015 1 875 . 2 . 2 27 27 LYS HD2 H 1 1.664 0.020 . 2 . . . . A 91 LYS HD2 . 35015 1 876 . 2 . 2 27 27 LYS HD3 H 1 1.770 0.020 . 2 . . . . A 91 LYS HD3 . 35015 1 877 . 2 . 2 27 27 LYS HE2 H 1 3.001 0.020 . 2 . . . . A 91 LYS HE2 . 35015 1 878 . 2 . 2 27 27 LYS HE3 H 1 2.895 0.020 . 2 . . . . A 91 LYS HE3 . 35015 1 879 . 2 . 2 27 27 LYS CA C 13 59.308 0.300 . 1 . . . . A 91 LYS CA . 35015 1 880 . 2 . 2 27 27 LYS CB C 13 32.430 0.006 . 1 . . . . A 91 LYS CB . 35015 1 881 . 2 . 2 27 27 LYS CG C 13 25.846 0.007 . 1 . . . . A 91 LYS CG . 35015 1 882 . 2 . 2 27 27 LYS CD C 13 29.191 0.013 . 1 . . . . A 91 LYS CD . 35015 1 883 . 2 . 2 27 27 LYS CE C 13 41.910 0.300 . 1 . . . . A 91 LYS CE . 35015 1 884 . 2 . 2 27 27 LYS N N 15 122.470 0.500 . 1 . . . . A 91 LYS N . 35015 1 885 . 2 . 2 28 28 PHE H H 1 8.480 0.020 . 1 . . . . A 92 PHE H . 35015 1 886 . 2 . 2 28 28 PHE HA H 1 3.521 0.020 . 1 . . . . A 92 PHE HA . 35015 1 887 . 2 . 2 28 28 PHE HB2 H 1 2.726 0.020 . 2 . . . . A 92 PHE HB2 . 35015 1 888 . 2 . 2 28 28 PHE HB3 H 1 2.825 0.020 . 2 . . . . A 92 PHE HB3 . 35015 1 889 . 2 . 2 28 28 PHE HD1 H 1 6.584 0.020 . 3 . . . . A 92 PHE HD1 . 35015 1 890 . 2 . 2 28 28 PHE HD2 H 1 6.584 0.020 . 3 . . . . A 92 PHE HD2 . 35015 1 891 . 2 . 2 28 28 PHE HE1 H 1 7.157 0.020 . 3 . . . . A 92 PHE HE1 . 35015 1 892 . 2 . 2 28 28 PHE HE2 H 1 7.157 0.020 . 3 . . . . A 92 PHE HE2 . 35015 1 893 . 2 . 2 28 28 PHE HZ H 1 7.122 0.020 . 1 . . . . A 92 PHE HZ . 35015 1 894 . 2 . 2 28 28 PHE CA C 13 60.700 0.300 . 1 . . . . A 92 PHE CA . 35015 1 895 . 2 . 2 28 28 PHE CB C 13 38.232 0.013 . 1 . . . . A 92 PHE CB . 35015 1 896 . 2 . 2 28 28 PHE CD1 C 13 132.068 0.300 . 1 . . . . A 92 PHE CD1 . 35015 1 897 . 2 . 2 28 28 PHE CD2 C 13 132.068 0.300 . 1 . . . . A 92 PHE CD2 . 35015 1 898 . 2 . 2 28 28 PHE CE1 C 13 130.630 0.300 . 1 . . . . A 92 PHE CE1 . 35015 1 899 . 2 . 2 28 28 PHE CZ C 13 128.655 0.300 . 1 . . . . A 92 PHE CZ . 35015 1 900 . 2 . 2 28 28 PHE N N 15 120.977 0.500 . 1 . . . . A 92 PHE N . 35015 1 901 . 2 . 2 29 29 ASN H H 1 8.264 0.020 . 1 . . . . A 93 ASN H . 35015 1 902 . 2 . 2 29 29 ASN HA H 1 4.198 0.020 . 1 . . . . A 93 ASN HA . 35015 1 903 . 2 . 2 29 29 ASN HB2 H 1 2.842 0.020 . 2 . . . . A 93 ASN HB2 . 35015 1 904 . 2 . 2 29 29 ASN HB3 H 1 2.746 0.020 . 2 . . . . A 93 ASN HB3 . 35015 1 905 . 2 . 2 29 29 ASN HD21 H 1 7.733 0.020 . 2 . . . . A 93 ASN HD21 . 35015 1 906 . 2 . 2 29 29 ASN HD22 H 1 6.897 0.020 . 2 . . . . A 93 ASN HD22 . 35015 1 907 . 2 . 2 29 29 ASN CA C 13 56.506 0.300 . 1 . . . . A 93 ASN CA . 35015 1 908 . 2 . 2 29 29 ASN CB C 13 37.668 0.005 . 1 . . . . A 93 ASN CB . 35015 1 909 . 2 . 2 29 29 ASN N N 15 117.067 0.500 . 1 . . . . A 93 ASN N . 35015 1 910 . 2 . 2 29 29 ASN ND2 N 15 112.805 0.004 . 1 . . . . A 93 ASN ND2 . 35015 1 911 . 2 . 2 30 30 ALA H H 1 7.795 0.020 . 1 . . . . A 94 ALA H . 35015 1 912 . 2 . 2 30 30 ALA HA H 1 4.215 0.020 . 1 . . . . A 94 ALA HA . 35015 1 913 . 2 . 2 30 30 ALA HB1 H 1 1.574 0.020 . 1 . . . . A 94 ALA HB1 . 35015 1 914 . 2 . 2 30 30 ALA HB2 H 1 1.574 0.020 . 1 . . . . A 94 ALA HB2 . 35015 1 915 . 2 . 2 30 30 ALA HB3 H 1 1.574 0.020 . 1 . . . . A 94 ALA HB3 . 35015 1 916 . 2 . 2 30 30 ALA CA C 13 55.040 0.300 . 1 . . . . A 94 ALA CA . 35015 1 917 . 2 . 2 30 30 ALA CB C 13 17.811 0.300 . 1 . . . . A 94 ALA CB . 35015 1 918 . 2 . 2 30 30 ALA N N 15 123.437 0.500 . 1 . . . . A 94 ALA N . 35015 1 919 . 2 . 2 31 31 PHE H H 1 7.967 0.020 . 1 . . . . A 95 PHE H . 35015 1 920 . 2 . 2 31 31 PHE HA H 1 4.533 0.020 . 1 . . . . A 95 PHE HA . 35015 1 921 . 2 . 2 31 31 PHE HB2 H 1 3.180 0.020 . 2 . . . . A 95 PHE HB2 . 35015 1 922 . 2 . 2 31 31 PHE HB3 H 1 3.122 0.020 . 2 . . . . A 95 PHE HB3 . 35015 1 923 . 2 . 2 31 31 PHE HD1 H 1 7.053 0.020 . 3 . . . . A 95 PHE HD1 . 35015 1 924 . 2 . 2 31 31 PHE HD2 H 1 7.053 0.020 . 3 . . . . A 95 PHE HD2 . 35015 1 925 . 2 . 2 31 31 PHE HE1 H 1 7.126 0.020 . 3 . . . . A 95 PHE HE1 . 35015 1 926 . 2 . 2 31 31 PHE HE2 H 1 7.126 0.020 . 3 . . . . A 95 PHE HE2 . 35015 1 927 . 2 . 2 31 31 PHE HZ H 1 7.276 0.020 . 1 . . . . A 95 PHE HZ . 35015 1 928 . 2 . 2 31 31 PHE CA C 13 59.586 0.300 . 1 . . . . A 95 PHE CA . 35015 1 929 . 2 . 2 31 31 PHE CB C 13 38.780 0.300 . 1 . . . . A 95 PHE CB . 35015 1 930 . 2 . 2 31 31 PHE CD1 C 13 132.076 0.300 . 1 . . . . A 95 PHE CD1 . 35015 1 931 . 2 . 2 31 31 PHE CD2 C 13 132.076 0.300 . 1 . . . . A 95 PHE CD2 . 35015 1 932 . 2 . 2 31 31 PHE CE1 C 13 129.529 0.300 . 1 . . . . A 95 PHE CE1 . 35015 1 933 . 2 . 2 31 31 PHE CE2 C 13 129.529 0.300 . 1 . . . . A 95 PHE CE2 . 35015 1 934 . 2 . 2 31 31 PHE CZ C 13 130.900 0.300 . 1 . . . . A 95 PHE CZ . 35015 1 935 . 2 . 2 31 31 PHE N N 15 122.635 0.500 . 1 . . . . A 95 PHE N . 35015 1 936 . 2 . 2 32 32 LEU H H 1 8.266 0.020 . 1 . . . . A 96 LEU H . 35015 1 937 . 2 . 2 32 32 LEU HA H 1 3.538 0.020 . 1 . . . . A 96 LEU HA . 35015 1 938 . 2 . 2 32 32 LEU HB2 H 1 1.203 0.020 . 2 . . . . A 96 LEU HB2 . 35015 1 939 . 2 . 2 32 32 LEU HB3 H 1 1.655 0.020 . 2 . . . . A 96 LEU HB3 . 35015 1 940 . 2 . 2 32 32 LEU HG H 1 1.552 0.020 . 1 . . . . A 96 LEU HG . 35015 1 941 . 2 . 2 32 32 LEU HD11 H 1 0.576 0.020 . 1 . . . . A 96 LEU HD11 . 35015 1 942 . 2 . 2 32 32 LEU HD12 H 1 0.576 0.020 . 1 . . . . A 96 LEU HD12 . 35015 1 943 . 2 . 2 32 32 LEU HD13 H 1 0.576 0.020 . 1 . . . . A 96 LEU HD13 . 35015 1 944 . 2 . 2 32 32 LEU HD21 H 1 0.659 0.020 . 1 . . . . A 96 LEU HD21 . 35015 1 945 . 2 . 2 32 32 LEU HD22 H 1 0.659 0.020 . 1 . . . . A 96 LEU HD22 . 35015 1 946 . 2 . 2 32 32 LEU HD23 H 1 0.659 0.020 . 1 . . . . A 96 LEU HD23 . 35015 1 947 . 2 . 2 32 32 LEU CA C 13 57.828 0.300 . 1 . . . . A 96 LEU CA . 35015 1 948 . 2 . 2 32 32 LEU CB C 13 41.632 0.015 . 1 . . . . A 96 LEU CB . 35015 1 949 . 2 . 2 32 32 LEU CG C 13 26.962 0.300 . 1 . . . . A 96 LEU CG . 35015 1 950 . 2 . 2 32 32 LEU CD1 C 13 23.092 0.300 . 1 . . . . A 96 LEU CD1 . 35015 1 951 . 2 . 2 32 32 LEU CD2 C 13 25.671 0.300 . 1 . . . . A 96 LEU CD2 . 35015 1 952 . 2 . 2 32 32 LEU N N 15 118.364 0.500 . 1 . . . . A 96 LEU N . 35015 1 953 . 2 . 2 33 33 ASP H H 1 7.786 0.020 . 1 . . . . A 97 ASP H . 35015 1 954 . 2 . 2 33 33 ASP HA H 1 4.375 0.020 . 1 . . . . A 97 ASP HA . 35015 1 955 . 2 . 2 33 33 ASP HB2 H 1 2.651 0.020 . 2 . . . . A 97 ASP HB2 . 35015 1 956 . 2 . 2 33 33 ASP HB3 H 1 2.755 0.020 . 2 . . . . A 97 ASP HB3 . 35015 1 957 . 2 . 2 33 33 ASP CA C 13 57.774 0.300 . 1 . . . . A 97 ASP CA . 35015 1 958 . 2 . 2 33 33 ASP CB C 13 41.127 0.002 . 1 . . . . A 97 ASP CB . 35015 1 959 . 2 . 2 33 33 ASP N N 15 118.614 0.500 . 1 . . . . A 97 ASP N . 35015 1 960 . 2 . 2 34 34 LEU H H 1 7.561 0.020 . 1 . . . . A 98 LEU H . 35015 1 961 . 2 . 2 34 34 LEU HA H 1 4.074 0.020 . 1 . . . . A 98 LEU HA . 35015 1 962 . 2 . 2 34 34 LEU HB2 H 1 1.836 0.020 . 2 . . . . A 98 LEU HB2 . 35015 1 963 . 2 . 2 34 34 LEU HB3 H 1 1.786 0.020 . 2 . . . . A 98 LEU HB3 . 35015 1 964 . 2 . 2 34 34 LEU HG H 1 1.757 0.020 . 1 . . . . A 98 LEU HG . 35015 1 965 . 2 . 2 34 34 LEU HD11 H 1 1.013 0.020 . 1 . . . . A 98 LEU HD11 . 35015 1 966 . 2 . 2 34 34 LEU HD12 H 1 1.013 0.020 . 1 . . . . A 98 LEU HD12 . 35015 1 967 . 2 . 2 34 34 LEU HD13 H 1 1.013 0.020 . 1 . . . . A 98 LEU HD13 . 35015 1 968 . 2 . 2 34 34 LEU HD21 H 1 0.994 0.020 . 1 . . . . A 98 LEU HD21 . 35015 1 969 . 2 . 2 34 34 LEU HD22 H 1 0.994 0.020 . 1 . . . . A 98 LEU HD22 . 35015 1 970 . 2 . 2 34 34 LEU HD23 H 1 0.994 0.020 . 1 . . . . A 98 LEU HD23 . 35015 1 971 . 2 . 2 34 34 LEU CA C 13 58.154 0.300 . 1 . . . . A 98 LEU CA . 35015 1 972 . 2 . 2 34 34 LEU CB C 13 41.903 0.006 . 1 . . . . A 98 LEU CB . 35015 1 973 . 2 . 2 34 34 LEU CG C 13 27.059 0.300 . 1 . . . . A 98 LEU CG . 35015 1 974 . 2 . 2 34 34 LEU CD1 C 13 24.633 0.300 . 1 . . . . A 98 LEU CD1 . 35015 1 975 . 2 . 2 34 34 LEU CD2 C 13 25.457 0.300 . 1 . . . . A 98 LEU CD2 . 35015 1 976 . 2 . 2 34 34 LEU N N 15 121.530 0.500 . 1 . . . . A 98 LEU N . 35015 1 977 . 2 . 2 35 35 LEU H H 1 8.134 0.020 . 1 . . . . A 99 LEU H . 35015 1 978 . 2 . 2 35 35 LEU HA H 1 3.677 0.020 . 1 . . . . A 99 LEU HA . 35015 1 979 . 2 . 2 35 35 LEU HB2 H 1 0.744 0.020 . 2 . . . . A 99 LEU HB2 . 35015 1 980 . 2 . 2 35 35 LEU HB3 H 1 1.747 0.020 . 2 . . . . A 99 LEU HB3 . 35015 1 981 . 2 . 2 35 35 LEU HD11 H 1 -0.423 0.020 . 1 . . . . A 99 LEU HD11 . 35015 1 982 . 2 . 2 35 35 LEU HD12 H 1 -0.423 0.020 . 1 . . . . A 99 LEU HD12 . 35015 1 983 . 2 . 2 35 35 LEU HD13 H 1 -0.423 0.020 . 1 . . . . A 99 LEU HD13 . 35015 1 984 . 2 . 2 35 35 LEU HD21 H 1 0.062 0.020 . 1 . . . . A 99 LEU HD21 . 35015 1 985 . 2 . 2 35 35 LEU HD22 H 1 0.062 0.020 . 1 . . . . A 99 LEU HD22 . 35015 1 986 . 2 . 2 35 35 LEU HD23 H 1 0.062 0.020 . 1 . . . . A 99 LEU HD23 . 35015 1 987 . 2 . 2 35 35 LEU CA C 13 57.716 0.300 . 1 . . . . A 99 LEU CA . 35015 1 988 . 2 . 2 35 35 LEU CB C 13 40.934 0.020 . 1 . . . . A 99 LEU CB . 35015 1 989 . 2 . 2 35 35 LEU CD1 C 13 25.164 0.300 . 1 . . . . A 99 LEU CD1 . 35015 1 990 . 2 . 2 35 35 LEU CD2 C 13 21.754 0.300 . 1 . . . . A 99 LEU CD2 . 35015 1 991 . 2 . 2 35 35 LEU N N 15 118.747 0.500 . 1 . . . . A 99 LEU N . 35015 1 992 . 2 . 2 36 36 ARG H H 1 8.755 0.020 . 1 . . . . A 100 ARG H . 35015 1 993 . 2 . 2 36 36 ARG HA H 1 4.330 0.020 . 1 . . . . A 100 ARG HA . 35015 1 994 . 2 . 2 36 36 ARG HB2 H 1 2.172 0.020 . 2 . . . . A 100 ARG HB2 . 35015 1 995 . 2 . 2 36 36 ARG HB3 H 1 2.110 0.020 . 2 . . . . A 100 ARG HB3 . 35015 1 996 . 2 . 2 36 36 ARG HG2 H 1 1.975 0.020 . 2 . . . . A 100 ARG HG2 . 35015 1 997 . 2 . 2 36 36 ARG HG3 H 1 1.743 0.020 . 2 . . . . A 100 ARG HG3 . 35015 1 998 . 2 . 2 36 36 ARG HD2 H 1 3.224 0.020 . 2 . . . . A 100 ARG HD2 . 35015 1 999 . 2 . 2 36 36 ARG HD3 H 1 3.291 0.020 . 2 . . . . A 100 ARG HD3 . 35015 1 1000 . 2 . 2 36 36 ARG HE H 1 7.202 0.020 . 1 . . . . A 100 ARG HE . 35015 1 1001 . 2 . 2 36 36 ARG CA C 13 59.751 0.300 . 1 . . . . A 100 ARG CA . 35015 1 1002 . 2 . 2 36 36 ARG CB C 13 30.357 0.001 . 1 . . . . A 100 ARG CB . 35015 1 1003 . 2 . 2 36 36 ARG CG C 13 28.738 0.009 . 1 . . . . A 100 ARG CG . 35015 1 1004 . 2 . 2 36 36 ARG CD C 13 43.216 0.001 . 1 . . . . A 100 ARG CD . 35015 1 1005 . 2 . 2 36 36 ARG N N 15 119.327 0.500 . 1 . . . . A 100 ARG N . 35015 1 1006 . 2 . 2 36 36 ARG NE N 15 83.710 0.500 . 1 . . . . A 100 ARG NE . 35015 1 1007 . 2 . 2 37 37 LYS H H 1 8.100 0.020 . 1 . . . . A 101 LYS H . 35015 1 1008 . 2 . 2 37 37 LYS HA H 1 4.076 0.020 . 1 . . . . A 101 LYS HA . 35015 1 1009 . 2 . 2 37 37 LYS HB2 H 1 1.993 0.020 . 2 . . . . A 101 LYS HB2 . 35015 1 1010 . 2 . 2 37 37 LYS HB3 H 1 2.038 0.020 . 2 . . . . A 101 LYS HB3 . 35015 1 1011 . 2 . 2 37 37 LYS HG2 H 1 1.514 0.020 . 2 . . . . A 101 LYS HG2 . 35015 1 1012 . 2 . 2 37 37 LYS HG3 H 1 1.645 0.020 . 2 . . . . A 101 LYS HG3 . 35015 1 1013 . 2 . 2 37 37 LYS HD2 H 1 1.646 0.020 . 2 . . . . A 101 LYS HD2 . 35015 1 1014 . 2 . 2 37 37 LYS HD3 H 1 1.646 0.020 . 2 . . . . A 101 LYS HD3 . 35015 1 1015 . 2 . 2 37 37 LYS HE2 H 1 2.960 0.020 . 2 . . . . A 101 LYS HE2 . 35015 1 1016 . 2 . 2 37 37 LYS HE3 H 1 2.960 0.020 . 2 . . . . A 101 LYS HE3 . 35015 1 1017 . 2 . 2 37 37 LYS CA C 13 59.323 0.300 . 1 . . . . A 101 LYS CA . 35015 1 1018 . 2 . 2 37 37 LYS CB C 13 32.561 0.006 . 1 . . . . A 101 LYS CB . 35015 1 1019 . 2 . 2 37 37 LYS CG C 13 25.802 0.002 . 1 . . . . A 101 LYS CG . 35015 1 1020 . 2 . 2 37 37 LYS CD C 13 29.016 0.300 . 1 . . . . A 101 LYS CD . 35015 1 1021 . 2 . 2 37 37 LYS CE C 13 41.877 0.300 . 1 . . . . A 101 LYS CE . 35015 1 1022 . 2 . 2 37 37 LYS N N 15 121.275 0.500 . 1 . . . . A 101 LYS N . 35015 1 1023 . 2 . 2 38 38 LYS H H 1 7.887 0.020 . 1 . . . . A 102 LYS H . 35015 1 1024 . 2 . 2 38 38 LYS HA H 1 4.322 0.020 . 1 . . . . A 102 LYS HA . 35015 1 1025 . 2 . 2 38 38 LYS HB2 H 1 2.009 0.020 . 2 . . . . A 102 LYS HB2 . 35015 1 1026 . 2 . 2 38 38 LYS HB3 H 1 2.053 0.020 . 2 . . . . A 102 LYS HB3 . 35015 1 1027 . 2 . 2 38 38 LYS HG2 H 1 1.502 0.020 . 2 . . . . A 102 LYS HG2 . 35015 1 1028 . 2 . 2 38 38 LYS HG3 H 1 1.532 0.020 . 2 . . . . A 102 LYS HG3 . 35015 1 1029 . 2 . 2 38 38 LYS HD2 H 1 1.695 0.020 . 2 . . . . A 102 LYS HD2 . 35015 1 1030 . 2 . 2 38 38 LYS HD3 H 1 1.695 0.020 . 2 . . . . A 102 LYS HD3 . 35015 1 1031 . 2 . 2 38 38 LYS HE2 H 1 2.966 0.020 . 2 . . . . A 102 LYS HE2 . 35015 1 1032 . 2 . 2 38 38 LYS HE3 H 1 2.966 0.020 . 2 . . . . A 102 LYS HE3 . 35015 1 1033 . 2 . 2 38 38 LYS CA C 13 55.739 0.300 . 1 . . . . A 102 LYS CA . 35015 1 1034 . 2 . 2 38 38 LYS CB C 13 32.514 0.029 . 1 . . . . A 102 LYS CB . 35015 1 1035 . 2 . 2 38 38 LYS CG C 13 25.437 0.001 . 1 . . . . A 102 LYS CG . 35015 1 1036 . 2 . 2 38 38 LYS CD C 13 28.963 0.300 . 1 . . . . A 102 LYS CD . 35015 1 1037 . 2 . 2 38 38 LYS CE C 13 41.929 0.300 . 1 . . . . A 102 LYS CE . 35015 1 1038 . 2 . 2 38 38 LYS N N 15 116.614 0.500 . 1 . . . . A 102 LYS N . 35015 1 1039 . 2 . 2 39 39 GLY H H 1 7.572 0.020 . 1 . . . . A 103 GLY H . 35015 1 1040 . 2 . 2 39 39 GLY HA2 H 1 3.985 0.020 . 2 . . . . A 103 GLY HA2 . 35015 1 1041 . 2 . 2 39 39 GLY HA3 H 1 4.293 0.020 . 2 . . . . A 103 GLY HA3 . 35015 1 1042 . 2 . 2 39 39 GLY CA C 13 45.901 0.011 . 1 . . . . A 103 GLY CA . 35015 1 1043 . 2 . 2 39 39 GLY N N 15 104.878 0.500 . 1 . . . . A 103 GLY N . 35015 1 1044 . 2 . 2 40 40 TYR H H 1 8.191 0.020 . 1 . . . . A 104 TYR H . 35015 1 1045 . 2 . 2 40 40 TYR HA H 1 3.794 0.020 . 1 . . . . A 104 TYR HA . 35015 1 1046 . 2 . 2 40 40 TYR HB2 H 1 2.619 0.020 . 2 . . . . A 104 TYR HB2 . 35015 1 1047 . 2 . 2 40 40 TYR HB3 H 1 1.897 0.020 . 2 . . . . A 104 TYR HB3 . 35015 1 1048 . 2 . 2 40 40 TYR HD1 H 1 6.913 0.020 . 3 . . . . A 104 TYR HD1 . 35015 1 1049 . 2 . 2 40 40 TYR HD2 H 1 6.913 0.020 . 3 . . . . A 104 TYR HD2 . 35015 1 1050 . 2 . 2 40 40 TYR CA C 13 60.667 0.300 . 1 . . . . A 104 TYR CA . 35015 1 1051 . 2 . 2 40 40 TYR CB C 13 41.331 0.300 . 1 . . . . A 104 TYR CB . 35015 1 1052 . 2 . 2 40 40 TYR CD1 C 13 131.964 0.300 . 1 . . . . A 104 TYR CD1 . 35015 1 1053 . 2 . 2 40 40 TYR CD2 C 13 131.964 0.300 . 1 . . . . A 104 TYR CD2 . 35015 1 1054 . 2 . 2 40 40 TYR N N 15 120.741 0.500 . 1 . . . . A 104 TYR N . 35015 1 1055 . 2 . 2 41 41 PHE H H 1 8.285 0.020 . 1 . . . . A 105 PHE H . 35015 1 1056 . 2 . 2 41 41 PHE HA H 1 4.242 0.020 . 1 . . . . A 105 PHE HA . 35015 1 1057 . 2 . 2 41 41 PHE HB2 H 1 2.792 0.020 . 2 . . . . A 105 PHE HB2 . 35015 1 1058 . 2 . 2 41 41 PHE HB3 H 1 3.724 0.020 . 2 . . . . A 105 PHE HB3 . 35015 1 1059 . 2 . 2 41 41 PHE HD1 H 1 6.797 0.020 . 3 . . . . A 105 PHE HD1 . 35015 1 1060 . 2 . 2 41 41 PHE HD2 H 1 6.797 0.020 . 3 . . . . A 105 PHE HD2 . 35015 1 1061 . 2 . 2 41 41 PHE HE1 H 1 6.918 0.020 . 3 . . . . A 105 PHE HE1 . 35015 1 1062 . 2 . 2 41 41 PHE HE2 H 1 6.918 0.020 . 3 . . . . A 105 PHE HE2 . 35015 1 1063 . 2 . 2 41 41 PHE HZ H 1 6.857 0.020 . 1 . . . . A 105 PHE HZ . 35015 1 1064 . 2 . 2 41 41 PHE CA C 13 57.697 0.300 . 1 . . . . A 105 PHE CA . 35015 1 1065 . 2 . 2 41 41 PHE CB C 13 38.998 0.003 . 1 . . . . A 105 PHE CB . 35015 1 1066 . 2 . 2 41 41 PHE CD1 C 13 131.929 0.300 . 1 . . . . A 105 PHE CD1 . 35015 1 1067 . 2 . 2 41 41 PHE CD2 C 13 131.929 0.300 . 1 . . . . A 105 PHE CD2 . 35015 1 1068 . 2 . 2 41 41 PHE CE1 C 13 130.976 0.300 . 1 . . . . A 105 PHE CE1 . 35015 1 1069 . 2 . 2 41 41 PHE CE2 C 13 130.976 0.300 . 1 . . . . A 105 PHE CE2 . 35015 1 1070 . 2 . 2 41 41 PHE CZ C 13 128.180 0.300 . 1 . . . . A 105 PHE CZ . 35015 1 1071 . 2 . 2 41 41 PHE N N 15 110.303 0.500 . 1 . . . . A 105 PHE N . 35015 1 1072 . 2 . 2 42 42 ALA H H 1 7.233 0.020 . 1 . . . . A 106 ALA H . 35015 1 1073 . 2 . 2 42 42 ALA HA H 1 4.105 0.020 . 1 . . . . A 106 ALA HA . 35015 1 1074 . 2 . 2 42 42 ALA HB1 H 1 1.368 0.020 . 1 . . . . A 106 ALA HB1 . 35015 1 1075 . 2 . 2 42 42 ALA HB2 H 1 1.368 0.020 . 1 . . . . A 106 ALA HB2 . 35015 1 1076 . 2 . 2 42 42 ALA HB3 H 1 1.368 0.020 . 1 . . . . A 106 ALA HB3 . 35015 1 1077 . 2 . 2 42 42 ALA CA C 13 54.047 0.300 . 1 . . . . A 106 ALA CA . 35015 1 1078 . 2 . 2 42 42 ALA CB C 13 18.067 0.300 . 1 . . . . A 106 ALA CB . 35015 1 1079 . 2 . 2 42 42 ALA N N 15 123.457 0.500 . 1 . . . . A 106 ALA N . 35015 1 1080 . 2 . 2 43 43 GLY H H 1 8.891 0.020 . 1 . . . . A 107 GLY H . 35015 1 1081 . 2 . 2 43 43 GLY HA2 H 1 3.688 0.020 . 2 . . . . A 107 GLY HA2 . 35015 1 1082 . 2 . 2 43 43 GLY HA3 H 1 4.194 0.020 . 2 . . . . A 107 GLY HA3 . 35015 1 1083 . 2 . 2 43 43 GLY CA C 13 45.315 0.013 . 1 . . . . A 107 GLY CA . 35015 1 1084 . 2 . 2 43 43 GLY N N 15 112.083 0.500 . 1 . . . . A 107 GLY N . 35015 1 1085 . 2 . 2 44 44 ALA H H 1 8.079 0.020 . 1 . . . . A 108 ALA H . 35015 1 1086 . 2 . 2 44 44 ALA HA H 1 4.729 0.020 . 1 . . . . A 108 ALA HA . 35015 1 1087 . 2 . 2 44 44 ALA HB1 H 1 1.126 0.020 . 1 . . . . A 108 ALA HB1 . 35015 1 1088 . 2 . 2 44 44 ALA HB2 H 1 1.126 0.020 . 1 . . . . A 108 ALA HB2 . 35015 1 1089 . 2 . 2 44 44 ALA HB3 H 1 1.126 0.020 . 1 . . . . A 108 ALA HB3 . 35015 1 1090 . 2 . 2 44 44 ALA CA C 13 49.814 0.300 . 1 . . . . A 108 ALA CA . 35015 1 1091 . 2 . 2 44 44 ALA CB C 13 19.039 0.300 . 1 . . . . A 108 ALA CB . 35015 1 1092 . 2 . 2 44 44 ALA N N 15 124.113 0.500 . 1 . . . . A 108 ALA N . 35015 1 1093 . 2 . 2 45 45 GLU H H 1 8.730 0.020 . 1 . . . . A 109 GLU H . 35015 1 1094 . 2 . 2 45 45 GLU HA H 1 4.200 0.020 . 1 . . . . A 109 GLU HA . 35015 1 1095 . 2 . 2 45 45 GLU HB2 H 1 1.871 0.020 . 2 . . . . A 109 GLU HB2 . 35015 1 1096 . 2 . 2 45 45 GLU HB3 H 1 1.953 0.020 . 2 . . . . A 109 GLU HB3 . 35015 1 1097 . 2 . 2 45 45 GLU HG2 H 1 2.318 0.020 . 2 . . . . A 109 GLU HG2 . 35015 1 1098 . 2 . 2 45 45 GLU HG3 H 1 2.288 0.020 . 2 . . . . A 109 GLU HG3 . 35015 1 1099 . 2 . 2 45 45 GLU CA C 13 55.743 0.300 . 1 . . . . A 109 GLU CA . 35015 1 1100 . 2 . 2 45 45 GLU CB C 13 30.340 0.006 . 1 . . . . A 109 GLU CB . 35015 1 1101 . 2 . 2 45 45 GLU CG C 13 36.022 0.003 . 1 . . . . A 109 GLU CG . 35015 1 1102 . 2 . 2 45 45 GLU N N 15 122.266 0.500 . 1 . . . . A 109 GLU N . 35015 1 1103 . 2 . 2 46 46 GLU H H 1 8.895 0.020 . 1 . . . . A 110 GLU H . 35015 1 1104 . 2 . 2 46 46 GLU HA H 1 2.327 0.020 . 1 . . . . A 110 GLU HA . 35015 1 1105 . 2 . 2 46 46 GLU HB2 H 1 1.510 0.020 . 2 . . . . A 110 GLU HB2 . 35015 1 1106 . 2 . 2 46 46 GLU HB3 H 1 1.539 0.020 . 2 . . . . A 110 GLU HB3 . 35015 1 1107 . 2 . 2 46 46 GLU HG2 H 1 1.723 0.020 . 2 . . . . A 110 GLU HG2 . 35015 1 1108 . 2 . 2 46 46 GLU HG3 H 1 1.723 0.020 . 2 . . . . A 110 GLU HG3 . 35015 1 1109 . 2 . 2 46 46 GLU CA C 13 58.686 0.300 . 1 . . . . A 110 GLU CA . 35015 1 1110 . 2 . 2 46 46 GLU CB C 13 28.701 0.009 . 1 . . . . A 110 GLU CB . 35015 1 1111 . 2 . 2 46 46 GLU CG C 13 36.204 0.300 . 1 . . . . A 110 GLU CG . 35015 1 1112 . 2 . 2 46 46 GLU N N 15 126.571 0.500 . 1 . . . . A 110 GLU N . 35015 1 1113 . 2 . 2 47 47 GLY H H 1 7.136 0.020 . 1 . . . . A 111 GLY H . 35015 1 1114 . 2 . 2 47 47 GLY HA2 H 1 4.200 0.020 . 2 . . . . A 111 GLY HA2 . 35015 1 1115 . 2 . 2 47 47 GLY HA3 H 1 3.689 0.020 . 2 . . . . A 111 GLY HA3 . 35015 1 1116 . 2 . 2 47 47 GLY CA C 13 45.063 0.300 . 1 . . . . A 111 GLY CA . 35015 1 1117 . 2 . 2 47 47 GLY N N 15 112.358 0.500 . 1 . . . . A 111 GLY N . 35015 1 1118 . 2 . 2 48 48 SER H H 1 7.986 0.020 . 1 . . . . A 112 SER H . 35015 1 1119 . 2 . 2 48 48 SER HA H 1 4.570 0.020 . 1 . . . . A 112 SER HA . 35015 1 1120 . 2 . 2 48 48 SER HB2 H 1 4.046 0.020 . 2 . . . . A 112 SER HB2 . 35015 1 1121 . 2 . 2 48 48 SER HB3 H 1 4.450 0.020 . 2 . . . . A 112 SER HB3 . 35015 1 1122 . 2 . 2 48 48 SER CA C 13 57.992 0.300 . 1 . . . . A 112 SER CA . 35015 1 1123 . 2 . 2 48 48 SER CB C 13 66.166 0.300 . 1 . . . . A 112 SER CB . 35015 1 1124 . 2 . 2 48 48 SER N N 15 115.361 0.500 . 1 . . . . A 112 SER N . 35015 1 1125 . 2 . 2 49 49 GLU H H 1 9.119 0.020 . 1 . . . . A 113 GLU H . 35015 1 1126 . 2 . 2 49 49 GLU HA H 1 4.169 0.020 . 1 . . . . A 113 GLU HA . 35015 1 1127 . 2 . 2 49 49 GLU HB2 H 1 2.116 0.020 . 2 . . . . A 113 GLU HB2 . 35015 1 1128 . 2 . 2 49 49 GLU HB3 H 1 2.116 0.020 . 2 . . . . A 113 GLU HB3 . 35015 1 1129 . 2 . 2 49 49 GLU HG2 H 1 2.368 0.020 . 2 . . . . A 113 GLU HG2 . 35015 1 1130 . 2 . 2 49 49 GLU HG3 H 1 2.432 0.020 . 2 . . . . A 113 GLU HG3 . 35015 1 1131 . 2 . 2 49 49 GLU CA C 13 59.868 0.300 . 1 . . . . A 113 GLU CA . 35015 1 1132 . 2 . 2 49 49 GLU CB C 13 29.232 0.300 . 1 . . . . A 113 GLU CB . 35015 1 1133 . 2 . 2 49 49 GLU CG C 13 36.444 0.002 . 1 . . . . A 113 GLU CG . 35015 1 1134 . 2 . 2 49 49 GLU N N 15 122.448 0.500 . 1 . . . . A 113 GLU N . 35015 1 1135 . 2 . 2 50 50 GLU H H 1 8.886 0.020 . 1 . . . . A 114 GLU H . 35015 1 1136 . 2 . 2 50 50 GLU HA H 1 4.163 0.020 . 1 . . . . A 114 GLU HA . 35015 1 1137 . 2 . 2 50 50 GLU HB2 H 1 1.824 0.020 . 2 . . . . A 114 GLU HB2 . 35015 1 1138 . 2 . 2 50 50 GLU HB3 H 1 2.242 0.020 . 2 . . . . A 114 GLU HB3 . 35015 1 1139 . 2 . 2 50 50 GLU HG2 H 1 2.091 0.020 . 2 . . . . A 114 GLU HG2 . 35015 1 1140 . 2 . 2 50 50 GLU HG3 H 1 2.478 0.020 . 2 . . . . A 114 GLU HG3 . 35015 1 1141 . 2 . 2 50 50 GLU CA C 13 59.232 0.300 . 1 . . . . A 114 GLU CA . 35015 1 1142 . 2 . 2 50 50 GLU CB C 13 29.061 0.010 . 1 . . . . A 114 GLU CB . 35015 1 1143 . 2 . 2 50 50 GLU CG C 13 35.522 0.300 . 1 . . . . A 114 GLU CG . 35015 1 1144 . 2 . 2 50 50 GLU N N 15 119.915 0.500 . 1 . . . . A 114 GLU N . 35015 1 1145 . 2 . 2 51 51 TYR H H 1 7.896 0.020 . 1 . . . . A 115 TYR H . 35015 1 1146 . 2 . 2 51 51 TYR HA H 1 3.676 0.020 . 1 . . . . A 115 TYR HA . 35015 1 1147 . 2 . 2 51 51 TYR HB2 H 1 2.704 0.020 . 2 . . . . A 115 TYR HB2 . 35015 1 1148 . 2 . 2 51 51 TYR HB3 H 1 3.166 0.020 . 2 . . . . A 115 TYR HB3 . 35015 1 1149 . 2 . 2 51 51 TYR HD1 H 1 7.048 0.020 . 3 . . . . A 115 TYR HD1 . 35015 1 1150 . 2 . 2 51 51 TYR HD2 H 1 7.048 0.020 . 3 . . . . A 115 TYR HD2 . 35015 1 1151 . 2 . 2 51 51 TYR HE1 H 1 6.326 0.020 . 3 . . . . A 115 TYR HE1 . 35015 1 1152 . 2 . 2 51 51 TYR HE2 H 1 6.326 0.020 . 3 . . . . A 115 TYR HE2 . 35015 1 1153 . 2 . 2 51 51 TYR CA C 13 62.650 0.300 . 1 . . . . A 115 TYR CA . 35015 1 1154 . 2 . 2 51 51 TYR CB C 13 38.968 0.300 . 1 . . . . A 115 TYR CB . 35015 1 1155 . 2 . 2 51 51 TYR CD1 C 13 133.060 0.300 . 1 . . . . A 115 TYR CD1 . 35015 1 1156 . 2 . 2 51 51 TYR CD2 C 13 133.060 0.300 . 1 . . . . A 115 TYR CD2 . 35015 1 1157 . 2 . 2 51 51 TYR CE1 C 13 118.276 0.300 . 1 . . . . A 115 TYR CE1 . 35015 1 1158 . 2 . 2 51 51 TYR CE2 C 13 118.276 0.300 . 1 . . . . A 115 TYR CE2 . 35015 1 1159 . 2 . 2 51 51 TYR N N 15 121.047 0.500 . 1 . . . . A 115 TYR N . 35015 1 1160 . 2 . 2 52 52 ASN H H 1 8.458 0.020 . 1 . . . . A 116 ASN H . 35015 1 1161 . 2 . 2 52 52 ASN HA H 1 4.530 0.020 . 1 . . . . A 116 ASN HA . 35015 1 1162 . 2 . 2 52 52 ASN HB2 H 1 2.951 0.020 . 2 . . . . A 116 ASN HB2 . 35015 1 1163 . 2 . 2 52 52 ASN HB3 H 1 2.951 0.020 . 2 . . . . A 116 ASN HB3 . 35015 1 1164 . 2 . 2 52 52 ASN HD21 H 1 7.569 0.020 . 2 . . . . A 116 ASN HD21 . 35015 1 1165 . 2 . 2 52 52 ASN HD22 H 1 6.763 0.020 . 2 . . . . A 116 ASN HD22 . 35015 1 1166 . 2 . 2 52 52 ASN CA C 13 56.312 0.300 . 1 . . . . A 116 ASN CA . 35015 1 1167 . 2 . 2 52 52 ASN CB C 13 37.544 0.300 . 1 . . . . A 116 ASN CB . 35015 1 1168 . 2 . 2 52 52 ASN N N 15 117.684 0.500 . 1 . . . . A 116 ASN N . 35015 1 1169 . 2 . 2 52 52 ASN ND2 N 15 111.647 0.001 . 1 . . . . A 116 ASN ND2 . 35015 1 1170 . 2 . 2 53 53 SER H H 1 8.587 0.020 . 1 . . . . A 117 SER H . 35015 1 1171 . 2 . 2 53 53 SER HA H 1 4.329 0.020 . 1 . . . . A 117 SER HA . 35015 1 1172 . 2 . 2 53 53 SER HB2 H 1 4.032 0.020 . 2 . . . . A 117 SER HB2 . 35015 1 1173 . 2 . 2 53 53 SER HB3 H 1 4.032 0.020 . 2 . . . . A 117 SER HB3 . 35015 1 1174 . 2 . 2 53 53 SER CA C 13 61.511 0.300 . 1 . . . . A 117 SER CA . 35015 1 1175 . 2 . 2 53 53 SER CB C 13 62.523 0.300 . 1 . . . . A 117 SER CB . 35015 1 1176 . 2 . 2 53 53 SER N N 15 116.899 0.500 . 1 . . . . A 117 SER N . 35015 1 1177 . 2 . 2 54 54 ARG H H 1 8.166 0.020 . 1 . . . . A 118 ARG H . 35015 1 1178 . 2 . 2 54 54 ARG HA H 1 4.050 0.020 . 1 . . . . A 118 ARG HA . 35015 1 1179 . 2 . 2 54 54 ARG HB2 H 1 1.360 0.020 . 2 . . . . A 118 ARG HB2 . 35015 1 1180 . 2 . 2 54 54 ARG HB3 H 1 1.461 0.020 . 2 . . . . A 118 ARG HB3 . 35015 1 1181 . 2 . 2 54 54 ARG HD2 H 1 2.274 0.020 . 2 . . . . A 118 ARG HD2 . 35015 1 1182 . 2 . 2 54 54 ARG HD3 H 1 2.542 0.020 . 2 . . . . A 118 ARG HD3 . 35015 1 1183 . 2 . 2 54 54 ARG HE H 1 7.972 0.020 . 1 . . . . A 118 ARG HE . 35015 1 1184 . 2 . 2 54 54 ARG CA C 13 59.867 0.300 . 1 . . . . A 118 ARG CA . 35015 1 1185 . 2 . 2 54 54 ARG CB C 13 29.611 0.015 . 1 . . . . A 118 ARG CB . 35015 1 1186 . 2 . 2 54 54 ARG CD C 13 44.171 0.003 . 1 . . . . A 118 ARG CD . 35015 1 1187 . 2 . 2 54 54 ARG N N 15 121.218 0.500 . 1 . . . . A 118 ARG N . 35015 1 1188 . 2 . 2 54 54 ARG NE N 15 84.944 0.500 . 1 . . . . A 118 ARG NE . 35015 1 1189 . 2 . 2 55 55 LEU H H 1 9.135 0.020 . 1 . . . . A 119 LEU H . 35015 1 1190 . 2 . 2 55 55 LEU HA H 1 4.244 0.020 . 1 . . . . A 119 LEU HA . 35015 1 1191 . 2 . 2 55 55 LEU HB2 H 1 1.592 0.020 . 2 . . . . A 119 LEU HB2 . 35015 1 1192 . 2 . 2 55 55 LEU HB3 H 1 2.120 0.020 . 2 . . . . A 119 LEU HB3 . 35015 1 1193 . 2 . 2 55 55 LEU HG H 1 1.788 0.020 . 1 . . . . A 119 LEU HG . 35015 1 1194 . 2 . 2 55 55 LEU HD11 H 1 1.107 0.020 . 1 . . . . A 119 LEU HD11 . 35015 1 1195 . 2 . 2 55 55 LEU HD12 H 1 1.107 0.020 . 1 . . . . A 119 LEU HD12 . 35015 1 1196 . 2 . 2 55 55 LEU HD13 H 1 1.107 0.020 . 1 . . . . A 119 LEU HD13 . 35015 1 1197 . 2 . 2 55 55 LEU HD21 H 1 1.148 0.020 . 1 . . . . A 119 LEU HD21 . 35015 1 1198 . 2 . 2 55 55 LEU HD22 H 1 1.148 0.020 . 1 . . . . A 119 LEU HD22 . 35015 1 1199 . 2 . 2 55 55 LEU HD23 H 1 1.148 0.020 . 1 . . . . A 119 LEU HD23 . 35015 1 1200 . 2 . 2 55 55 LEU CA C 13 59.274 0.300 . 1 . . . . A 119 LEU CA . 35015 1 1201 . 2 . 2 55 55 LEU CB C 13 42.230 0.009 . 1 . . . . A 119 LEU CB . 35015 1 1202 . 2 . 2 55 55 LEU CG C 13 27.596 0.300 . 1 . . . . A 119 LEU CG . 35015 1 1203 . 2 . 2 55 55 LEU CD1 C 13 25.578 0.300 . 1 . . . . A 119 LEU CD1 . 35015 1 1204 . 2 . 2 55 55 LEU CD2 C 13 25.103 0.300 . 1 . . . . A 119 LEU CD2 . 35015 1 1205 . 2 . 2 55 55 LEU N N 15 126.199 0.500 . 1 . . . . A 119 LEU N . 35015 1 1206 . 2 . 2 56 56 GLU H H 1 8.439 0.020 . 1 . . . . A 120 GLU H . 35015 1 1207 . 2 . 2 56 56 GLU HA H 1 4.208 0.020 . 1 . . . . A 120 GLU HA . 35015 1 1208 . 2 . 2 56 56 GLU HB2 H 1 2.193 0.020 . 2 . . . . A 120 GLU HB2 . 35015 1 1209 . 2 . 2 56 56 GLU HB3 H 1 2.193 0.020 . 2 . . . . A 120 GLU HB3 . 35015 1 1210 . 2 . 2 56 56 GLU HG2 H 1 2.439 0.020 . 2 . . . . A 120 GLU HG2 . 35015 1 1211 . 2 . 2 56 56 GLU HG3 H 1 2.439 0.020 . 2 . . . . A 120 GLU HG3 . 35015 1 1212 . 2 . 2 56 56 GLU CA C 13 59.341 0.300 . 1 . . . . A 120 GLU CA . 35015 1 1213 . 2 . 2 56 56 GLU CB C 13 29.138 0.300 . 1 . . . . A 120 GLU CB . 35015 1 1214 . 2 . 2 56 56 GLU CG C 13 35.905 0.300 . 1 . . . . A 120 GLU CG . 35015 1 1215 . 2 . 2 56 56 GLU N N 15 119.786 0.500 . 1 . . . . A 120 GLU N . 35015 1 1216 . 2 . 2 57 57 LYS H H 1 7.959 0.020 . 1 . . . . A 121 LYS H . 35015 1 1217 . 2 . 2 57 57 LYS HA H 1 4.197 0.020 . 1 . . . . A 121 LYS HA . 35015 1 1218 . 2 . 2 57 57 LYS HB2 H 1 1.984 0.020 . 2 . . . . A 121 LYS HB2 . 35015 1 1219 . 2 . 2 57 57 LYS HB3 H 1 1.863 0.020 . 2 . . . . A 121 LYS HB3 . 35015 1 1220 . 2 . 2 57 57 LYS HG2 H 1 1.461 0.020 . 2 . . . . A 121 LYS HG2 . 35015 1 1221 . 2 . 2 57 57 LYS HG3 H 1 1.658 0.020 . 2 . . . . A 121 LYS HG3 . 35015 1 1222 . 2 . 2 57 57 LYS HD2 H 1 1.659 0.020 . 2 . . . . A 121 LYS HD2 . 35015 1 1223 . 2 . 2 57 57 LYS HD3 H 1 1.659 0.020 . 2 . . . . A 121 LYS HD3 . 35015 1 1224 . 2 . 2 57 57 LYS HE2 H 1 2.913 0.020 . 2 . . . . A 121 LYS HE2 . 35015 1 1225 . 2 . 2 57 57 LYS HE3 H 1 2.913 0.020 . 2 . . . . A 121 LYS HE3 . 35015 1 1226 . 2 . 2 57 57 LYS CA C 13 59.327 0.300 . 1 . . . . A 121 LYS CA . 35015 1 1227 . 2 . 2 57 57 LYS CB C 13 32.536 0.002 . 1 . . . . A 121 LYS CB . 35015 1 1228 . 2 . 2 57 57 LYS CG C 13 25.105 0.004 . 1 . . . . A 121 LYS CG . 35015 1 1229 . 2 . 2 57 57 LYS CD C 13 28.985 0.300 . 1 . . . . A 121 LYS CD . 35015 1 1230 . 2 . 2 57 57 LYS CE C 13 41.890 0.300 . 1 . . . . A 121 LYS CE . 35015 1 1231 . 2 . 2 57 57 LYS N N 15 119.651 0.500 . 1 . . . . A 121 LYS N . 35015 1 1232 . 2 . 2 58 58 ALA H H 1 7.837 0.020 . 1 . . . . A 122 ALA H . 35015 1 1233 . 2 . 2 58 58 ALA HA H 1 4.274 0.020 . 1 . . . . A 122 ALA HA . 35015 1 1234 . 2 . 2 58 58 ALA HB1 H 1 1.458 0.020 . 1 . . . . A 122 ALA HB1 . 35015 1 1235 . 2 . 2 58 58 ALA HB2 H 1 1.458 0.020 . 1 . . . . A 122 ALA HB2 . 35015 1 1236 . 2 . 2 58 58 ALA HB3 H 1 1.458 0.020 . 1 . . . . A 122 ALA HB3 . 35015 1 1237 . 2 . 2 58 58 ALA CA C 13 55.478 0.300 . 1 . . . . A 122 ALA CA . 35015 1 1238 . 2 . 2 58 58 ALA CB C 13 17.951 0.300 . 1 . . . . A 122 ALA CB . 35015 1 1239 . 2 . 2 58 58 ALA N N 15 121.277 0.500 . 1 . . . . A 122 ALA N . 35015 1 1240 . 2 . 2 59 59 ARG H H 1 8.809 0.020 . 1 . . . . A 123 ARG H . 35015 1 1241 . 2 . 2 59 59 ARG HA H 1 3.960 0.020 . 1 . . . . A 123 ARG HA . 35015 1 1242 . 2 . 2 59 59 ARG HB2 H 1 1.852 0.020 . 2 . . . . A 123 ARG HB2 . 35015 1 1243 . 2 . 2 59 59 ARG HB3 H 1 2.014 0.020 . 2 . . . . A 123 ARG HB3 . 35015 1 1244 . 2 . 2 59 59 ARG HG2 H 1 1.419 0.020 . 2 . . . . A 123 ARG HG2 . 35015 1 1245 . 2 . 2 59 59 ARG HG3 H 1 1.276 0.020 . 2 . . . . A 123 ARG HG3 . 35015 1 1246 . 2 . 2 59 59 ARG HD2 H 1 2.896 0.020 . 2 . . . . A 123 ARG HD2 . 35015 1 1247 . 2 . 2 59 59 ARG HD3 H 1 2.978 0.020 . 2 . . . . A 123 ARG HD3 . 35015 1 1248 . 2 . 2 59 59 ARG HE H 1 7.621 0.020 . 1 . . . . A 123 ARG HE . 35015 1 1249 . 2 . 2 59 59 ARG CA C 13 60.095 0.300 . 1 . . . . A 123 ARG CA . 35015 1 1250 . 2 . 2 59 59 ARG CB C 13 29.773 0.032 . 1 . . . . A 123 ARG CB . 35015 1 1251 . 2 . 2 59 59 ARG CG C 13 26.611 0.005 . 1 . . . . A 123 ARG CG . 35015 1 1252 . 2 . 2 59 59 ARG CD C 13 42.648 0.004 . 1 . . . . A 123 ARG CD . 35015 1 1253 . 2 . 2 59 59 ARG N N 15 119.597 0.500 . 1 . . . . A 123 ARG N . 35015 1 1254 . 2 . 2 59 59 ARG NE N 15 83.154 0.500 . 1 . . . . A 123 ARG NE . 35015 1 1255 . 2 . 2 60 60 GLU H H 1 8.337 0.020 . 1 . . . . A 124 GLU H . 35015 1 1256 . 2 . 2 60 60 GLU HA H 1 4.039 0.020 . 1 . . . . A 124 GLU HA . 35015 1 1257 . 2 . 2 60 60 GLU HB2 H 1 2.198 0.020 . 2 . . . . A 124 GLU HB2 . 35015 1 1258 . 2 . 2 60 60 GLU HB3 H 1 2.131 0.020 . 2 . . . . A 124 GLU HB3 . 35015 1 1259 . 2 . 2 60 60 GLU HG2 H 1 2.210 0.020 . 2 . . . . A 124 GLU HG2 . 35015 1 1260 . 2 . 2 60 60 GLU HG3 H 1 2.454 0.020 . 2 . . . . A 124 GLU HG3 . 35015 1 1261 . 2 . 2 60 60 GLU CA C 13 59.696 0.300 . 1 . . . . A 124 GLU CA . 35015 1 1262 . 2 . 2 60 60 GLU CB C 13 29.664 0.300 . 1 . . . . A 124 GLU CB . 35015 1 1263 . 2 . 2 60 60 GLU CG C 13 36.276 0.001 . 1 . . . . A 124 GLU CG . 35015 1 1264 . 2 . 2 60 60 GLU N N 15 118.851 0.500 . 1 . . . . A 124 GLU N . 35015 1 1265 . 2 . 2 61 61 LYS H H 1 7.865 0.020 . 1 . . . . A 125 LYS H . 35015 1 1266 . 2 . 2 61 61 LYS HA H 1 4.030 0.020 . 1 . . . . A 125 LYS HA . 35015 1 1267 . 2 . 2 61 61 LYS HB2 H 1 2.074 0.020 . 2 . . . . A 125 LYS HB2 . 35015 1 1268 . 2 . 2 61 61 LYS HB3 H 1 1.961 0.020 . 2 . . . . A 125 LYS HB3 . 35015 1 1269 . 2 . 2 61 61 LYS HG2 H 1 1.583 0.020 . 2 . . . . A 125 LYS HG2 . 35015 1 1270 . 2 . 2 61 61 LYS HG3 H 1 1.636 0.020 . 2 . . . . A 125 LYS HG3 . 35015 1 1271 . 2 . 2 61 61 LYS HD2 H 1 1.681 0.020 . 2 . . . . A 125 LYS HD2 . 35015 1 1272 . 2 . 2 61 61 LYS HD3 H 1 1.681 0.020 . 2 . . . . A 125 LYS HD3 . 35015 1 1273 . 2 . 2 61 61 LYS HE2 H 1 2.899 0.020 . 2 . . . . A 125 LYS HE2 . 35015 1 1274 . 2 . 2 61 61 LYS HE3 H 1 2.899 0.020 . 2 . . . . A 125 LYS HE3 . 35015 1 1275 . 2 . 2 61 61 LYS CA C 13 58.824 0.300 . 1 . . . . A 125 LYS CA . 35015 1 1276 . 2 . 2 61 61 LYS CB C 13 32.247 0.003 . 1 . . . . A 125 LYS CB . 35015 1 1277 . 2 . 2 61 61 LYS CG C 13 25.746 0.300 . 1 . . . . A 125 LYS CG . 35015 1 1278 . 2 . 2 61 61 LYS CD C 13 28.967 0.300 . 1 . . . . A 125 LYS CD . 35015 1 1279 . 2 . 2 61 61 LYS CE C 13 41.904 0.300 . 1 . . . . A 125 LYS CE . 35015 1 1280 . 2 . 2 61 61 LYS N N 15 117.599 0.500 . 1 . . . . A 125 LYS N . 35015 1 1281 . 2 . 2 62 62 PHE H H 1 8.590 0.020 . 1 . . . . A 126 PHE H . 35015 1 1282 . 2 . 2 62 62 PHE HA H 1 3.715 0.020 . 1 . . . . A 126 PHE HA . 35015 1 1283 . 2 . 2 62 62 PHE HB2 H 1 3.204 0.020 . 2 . . . . A 126 PHE HB2 . 35015 1 1284 . 2 . 2 62 62 PHE HB3 H 1 3.326 0.020 . 2 . . . . A 126 PHE HB3 . 35015 1 1285 . 2 . 2 62 62 PHE HD1 H 1 6.580 0.020 . 3 . . . . A 126 PHE HD1 . 35015 1 1286 . 2 . 2 62 62 PHE HD2 H 1 6.580 0.020 . 3 . . . . A 126 PHE HD2 . 35015 1 1287 . 2 . 2 62 62 PHE HE1 H 1 7.163 0.020 . 3 . . . . A 126 PHE HE1 . 35015 1 1288 . 2 . 2 62 62 PHE HE2 H 1 7.163 0.020 . 3 . . . . A 126 PHE HE2 . 35015 1 1289 . 2 . 2 62 62 PHE HZ H 1 7.149 0.020 . 1 . . . . A 126 PHE HZ . 35015 1 1290 . 2 . 2 62 62 PHE CA C 13 62.139 0.300 . 1 . . . . A 126 PHE CA . 35015 1 1291 . 2 . 2 62 62 PHE CB C 13 40.100 0.300 . 1 . . . . A 126 PHE CB . 35015 1 1292 . 2 . 2 62 62 PHE CD1 C 13 132.173 0.300 . 1 . . . . A 126 PHE CD1 . 35015 1 1293 . 2 . 2 62 62 PHE CE1 C 13 131.336 0.300 . 1 . . . . A 126 PHE CE1 . 35015 1 1294 . 2 . 2 62 62 PHE CZ C 13 129.773 0.300 . 1 . . . . A 126 PHE CZ . 35015 1 1295 . 2 . 2 62 62 PHE N N 15 119.599 0.500 . 1 . . . . A 126 PHE N . 35015 1 1296 . 2 . 2 63 63 GLU H H 1 8.776 0.020 . 1 . . . . A 127 GLU H . 35015 1 1297 . 2 . 2 63 63 GLU HA H 1 3.910 0.020 . 1 . . . . A 127 GLU HA . 35015 1 1298 . 2 . 2 63 63 GLU HB2 H 1 2.137 0.020 . 2 . . . . A 127 GLU HB2 . 35015 1 1299 . 2 . 2 63 63 GLU HB3 H 1 2.078 0.020 . 2 . . . . A 127 GLU HB3 . 35015 1 1300 . 2 . 2 63 63 GLU HG2 H 1 2.554 0.020 . 2 . . . . A 127 GLU HG2 . 35015 1 1301 . 2 . 2 63 63 GLU HG3 H 1 2.321 0.020 . 2 . . . . A 127 GLU HG3 . 35015 1 1302 . 2 . 2 63 63 GLU CA C 13 59.052 0.300 . 1 . . . . A 127 GLU CA . 35015 1 1303 . 2 . 2 63 63 GLU CB C 13 29.405 0.002 . 1 . . . . A 127 GLU CB . 35015 1 1304 . 2 . 2 63 63 GLU CG C 13 37.055 0.001 . 1 . . . . A 127 GLU CG . 35015 1 1305 . 2 . 2 63 63 GLU N N 15 118.757 0.500 . 1 . . . . A 127 GLU N . 35015 1 1306 . 2 . 2 64 64 LYS H H 1 7.639 0.020 . 1 . . . . A 128 LYS H . 35015 1 1307 . 2 . 2 64 64 LYS HA H 1 4.136 0.020 . 1 . . . . A 128 LYS HA . 35015 1 1308 . 2 . 2 64 64 LYS HB2 H 1 1.867 0.020 . 2 . . . . A 128 LYS HB2 . 35015 1 1309 . 2 . 2 64 64 LYS HB3 H 1 1.894 0.020 . 2 . . . . A 128 LYS HB3 . 35015 1 1310 . 2 . 2 64 64 LYS HG2 H 1 1.473 0.020 . 2 . . . . A 128 LYS HG2 . 35015 1 1311 . 2 . 2 64 64 LYS HG3 H 1 1.580 0.020 . 2 . . . . A 128 LYS HG3 . 35015 1 1312 . 2 . 2 64 64 LYS HD2 H 1 1.666 0.020 . 2 . . . . A 128 LYS HD2 . 35015 1 1313 . 2 . 2 64 64 LYS HD3 H 1 1.666 0.020 . 2 . . . . A 128 LYS HD3 . 35015 1 1314 . 2 . 2 64 64 LYS HE2 H 1 2.956 0.020 . 2 . . . . A 128 LYS HE2 . 35015 1 1315 . 2 . 2 64 64 LYS HE3 H 1 2.954 0.020 . 2 . . . . A 128 LYS HE3 . 35015 1 1316 . 2 . 2 64 64 LYS CA C 13 57.627 0.300 . 1 . . . . A 128 LYS CA . 35015 1 1317 . 2 . 2 64 64 LYS CB C 13 32.262 0.001 . 1 . . . . A 128 LYS CB . 35015 1 1318 . 2 . 2 64 64 LYS CG C 13 25.390 0.004 . 1 . . . . A 128 LYS CG . 35015 1 1319 . 2 . 2 64 64 LYS CD C 13 28.976 0.300 . 1 . . . . A 128 LYS CD . 35015 1 1320 . 2 . 2 64 64 LYS CE C 13 41.941 0.002 . 1 . . . . A 128 LYS CE . 35015 1 1321 . 2 . 2 64 64 LYS N N 15 117.601 0.500 . 1 . . . . A 128 LYS N . 35015 1 1322 . 2 . 2 65 65 ARG H H 1 7.211 0.020 . 1 . . . . A 129 ARG H . 35015 1 1323 . 2 . 2 65 65 ARG HA H 1 4.100 0.020 . 1 . . . . A 129 ARG HA . 35015 1 1324 . 2 . 2 65 65 ARG HB2 H 1 1.676 0.014 . 2 . . . . A 129 ARG HB2 . 35015 1 1325 . 2 . 2 65 65 ARG HB3 H 1 1.676 0.014 . 2 . . . . A 129 ARG HB3 . 35015 1 1326 . 2 . 2 65 65 ARG HG2 H 1 1.504 0.020 . 2 . . . . A 129 ARG HG2 . 35015 1 1327 . 2 . 2 65 65 ARG HG3 H 1 1.417 0.020 . 2 . . . . A 129 ARG HG3 . 35015 1 1328 . 2 . 2 65 65 ARG HD2 H 1 3.021 0.020 . 2 . . . . A 129 ARG HD2 . 35015 1 1329 . 2 . 2 65 65 ARG HD3 H 1 2.866 0.020 . 2 . . . . A 129 ARG HD3 . 35015 1 1330 . 2 . 2 65 65 ARG HE H 1 7.291 0.020 . 1 . . . . A 129 ARG HE . 35015 1 1331 . 2 . 2 65 65 ARG CA C 13 56.613 0.300 . 1 . . . . A 129 ARG CA . 35015 1 1332 . 2 . 2 65 65 ARG CB C 13 30.139 0.006 . 1 . . . . A 129 ARG CB . 35015 1 1333 . 2 . 2 65 65 ARG CG C 13 26.855 0.004 . 1 . . . . A 129 ARG CG . 35015 1 1334 . 2 . 2 65 65 ARG CD C 13 42.684 0.007 . 1 . . . . A 129 ARG CD . 35015 1 1335 . 2 . 2 65 65 ARG N N 15 117.690 0.500 . 1 . . . . A 129 ARG N . 35015 1 1336 . 2 . 2 65 65 ARG NE N 15 84.035 0.500 . 1 . . . . A 129 ARG NE . 35015 1 1337 . 2 . 2 66 66 ASN H H 1 7.798 0.020 . 1 . . . . A 130 ASN H . 35015 1 1338 . 2 . 2 66 66 ASN HA H 1 4.532 0.020 . 1 . . . . A 130 ASN HA . 35015 1 1339 . 2 . 2 66 66 ASN HB2 H 1 2.523 0.020 . 2 . . . . A 130 ASN HB2 . 35015 1 1340 . 2 . 2 66 66 ASN HB3 H 1 2.231 0.020 . 2 . . . . A 130 ASN HB3 . 35015 1 1341 . 2 . 2 66 66 ASN HD21 H 1 6.787 0.020 . 2 . . . . A 130 ASN HD21 . 35015 1 1342 . 2 . 2 66 66 ASN HD22 H 1 6.529 0.020 . 2 . . . . A 130 ASN HD22 . 35015 1 1343 . 2 . 2 66 66 ASN CA C 13 53.492 0.300 . 1 . . . . A 130 ASN CA . 35015 1 1344 . 2 . 2 66 66 ASN CB C 13 39.367 0.001 . 1 . . . . A 130 ASN CB . 35015 1 1345 . 2 . 2 66 66 ASN N N 15 116.740 0.500 . 1 . . . . A 130 ASN N . 35015 1 1346 . 2 . 2 66 66 ASN ND2 N 15 113.422 0.001 . 1 . . . . A 130 ASN ND2 . 35015 1 1347 . 2 . 2 67 67 ASN H H 1 8.008 0.020 . 1 . . . . A 131 ASN H . 35015 1 1348 . 2 . 2 67 67 ASN HA H 1 4.917 0.020 . 1 . . . . A 131 ASN HA . 35015 1 1349 . 2 . 2 67 67 ASN HB2 H 1 2.786 0.020 . 2 . . . . A 131 ASN HB2 . 35015 1 1350 . 2 . 2 67 67 ASN HB3 H 1 2.681 0.020 . 2 . . . . A 131 ASN HB3 . 35015 1 1351 . 2 . 2 67 67 ASN HD21 H 1 6.905 0.020 . 2 . . . . A 131 ASN HD21 . 35015 1 1352 . 2 . 2 67 67 ASN HD22 H 1 7.624 0.020 . 2 . . . . A 131 ASN HD22 . 35015 1 1353 . 2 . 2 67 67 ASN CA C 13 51.318 0.300 . 1 . . . . A 131 ASN CA . 35015 1 1354 . 2 . 2 67 67 ASN CB C 13 38.889 0.002 . 1 . . . . A 131 ASN CB . 35015 1 1355 . 2 . 2 67 67 ASN N N 15 119.621 0.500 . 1 . . . . A 131 ASN N . 35015 1 1356 . 2 . 2 67 67 ASN ND2 N 15 112.753 0.006 . 1 . . . . A 131 ASN ND2 . 35015 1 1357 . 2 . 2 68 68 PRO HA H 1 4.352 0.020 . 1 . . . . A 132 PRO HA . 35015 1 1358 . 2 . 2 68 68 PRO HB2 H 1 1.608 0.020 . 2 . . . . A 132 PRO HB2 . 35015 1 1359 . 2 . 2 68 68 PRO HB3 H 1 2.090 0.020 . 2 . . . . A 132 PRO HB3 . 35015 1 1360 . 2 . 2 68 68 PRO HG2 H 1 1.834 0.020 . 2 . . . . A 132 PRO HG2 . 35015 1 1361 . 2 . 2 68 68 PRO HG3 H 1 1.557 0.020 . 2 . . . . A 132 PRO HG3 . 35015 1 1362 . 2 . 2 68 68 PRO HD2 H 1 3.552 0.020 . 2 . . . . A 132 PRO HD2 . 35015 1 1363 . 2 . 2 68 68 PRO HD3 H 1 3.627 0.020 . 2 . . . . A 132 PRO HD3 . 35015 1 1364 . 2 . 2 68 68 PRO CA C 13 63.519 0.300 . 1 . . . . A 132 PRO CA . 35015 1 1365 . 2 . 2 68 68 PRO CB C 13 31.912 0.001 . 1 . . . . A 132 PRO CB . 35015 1 1366 . 2 . 2 68 68 PRO CG C 13 26.715 0.001 . 1 . . . . A 132 PRO CG . 35015 1 1367 . 2 . 2 68 68 PRO CD C 13 50.504 0.300 . 1 . . . . A 132 PRO CD . 35015 1 1368 . 2 . 2 69 69 TYR H H 1 7.981 0.020 . 1 . . . . A 133 TYR H . 35015 1 1369 . 2 . 2 69 69 TYR HA H 1 4.588 0.020 . 1 . . . . A 133 TYR HA . 35015 1 1370 . 2 . 2 69 69 TYR HB2 H 1 2.904 0.020 . 2 . . . . A 133 TYR HB2 . 35015 1 1371 . 2 . 2 69 69 TYR HB3 H 1 3.164 0.020 . 2 . . . . A 133 TYR HB3 . 35015 1 1372 . 2 . 2 69 69 TYR HD1 H 1 7.147 0.020 . 3 . . . . A 133 TYR HD1 . 35015 1 1373 . 2 . 2 69 69 TYR HD2 H 1 7.147 0.020 . 3 . . . . A 133 TYR HD2 . 35015 1 1374 . 2 . 2 69 69 TYR HE1 H 1 6.822 0.020 . 3 . . . . A 133 TYR HE1 . 35015 1 1375 . 2 . 2 69 69 TYR HE2 H 1 6.822 0.020 . 3 . . . . A 133 TYR HE2 . 35015 1 1376 . 2 . 2 69 69 TYR CA C 13 57.468 0.300 . 1 . . . . A 133 TYR CA . 35015 1 1377 . 2 . 2 69 69 TYR CB C 13 38.487 0.300 . 1 . . . . A 133 TYR CB . 35015 1 1378 . 2 . 2 69 69 TYR CD2 C 13 133.190 0.300 . 1 . . . . A 133 TYR CD2 . 35015 1 1379 . 2 . 2 69 69 TYR CE1 C 13 118.148 0.300 . 1 . . . . A 133 TYR CE1 . 35015 1 1380 . 2 . 2 69 69 TYR N N 15 119.283 0.500 . 1 . . . . A 133 TYR N . 35015 1 1381 . 2 . 2 70 70 GLU H H 1 7.579 0.020 . 1 . . . . A 134 GLU H . 35015 1 1382 . 2 . 2 70 70 GLU HA H 1 4.081 0.020 . 1 . . . . A 134 GLU HA . 35015 1 1383 . 2 . 2 70 70 GLU HB2 H 1 1.851 0.020 . 2 . . . . A 134 GLU HB2 . 35015 1 1384 . 2 . 2 70 70 GLU HB3 H 1 1.998 0.020 . 2 . . . . A 134 GLU HB3 . 35015 1 1385 . 2 . 2 70 70 GLU HG2 H 1 2.153 0.020 . 2 . . . . A 134 GLU HG2 . 35015 1 1386 . 2 . 2 70 70 GLU HG3 H 1 2.153 0.020 . 2 . . . . A 134 GLU HG3 . 35015 1 1387 . 2 . 2 70 70 GLU CA C 13 57.850 0.300 . 1 . . . . A 134 GLU CA . 35015 1 1388 . 2 . 2 70 70 GLU CB C 13 31.358 0.002 . 1 . . . . A 134 GLU CB . 35015 1 1389 . 2 . 2 70 70 GLU CG C 13 36.469 0.300 . 1 . . . . A 134 GLU CG . 35015 1 1390 . 2 . 2 70 70 GLU N N 15 126.232 0.500 . 1 . . . . A 134 GLU N . 35015 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 35015 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 14 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Volume H3N-S2HA-H3H 121.266 4.484 8.508 1 -- D5N-P4HB2-D5H 120.892 1.934 8.751 2 -- D5N-P4QG-D5H 120.892 1.934 8.751 2 -- D5N-P4HB3-D5H 120.883 2.242 8.751 2 -- D5N-D5HB2-D5H 120.888 2.637 8.751 1 -- D5N-D5HB3-D5H 120.898 2.714 8.753 1 -- D5N-P4HD2-D5H 120.895 3.535 8.752 1 -- D5N-P4HD3-D5H 120.898 3.714 8.753 1 -- D5N-P4HA-D5H 120.891 4.447 8.750 1 -- D5N-D5HA-D5H 120.894 4.638 8.752 1 -- D5N-N6H-D5H 120.891 8.235 8.751 1 -- D5N-D9H-D5H 120.891 8.235 8.751 1 -- N6N-D5H-N6H 117.951 8.756 8.223 1 -- N6N-N6HD22-N6H 117.986 7.644 8.224 1 -- N6N-N6HD21-N6H 117.944 6.865 8.223 1 -- N6N-D5HA-N6H 117.962 4.633 8.224 1 -- N6N-N6HA-N6H 117.960 4.732 8.223 1 -- Q24N-D22HA-Q24H 117.958 4.473 8.225 1 -- N6N-D5HB3-N6H 117.958 2.703 8.223 1 -- N6N-N6HB2-N6H 117.958 2.830 8.225 2 -- Q24N-R26HG3-Q24H 117.885 1.707 8.222 1 -- N6N-P4HB2-N6H 117.958 1.932 8.224 2 -- N6N-A8QB-N6H 117.958 1.416 8.224 1 -- D7N-N6H-D7H 120.628 8.200 8.366 1 -- D7N-A8H-D7H 120.628 8.200 8.366 1 -- D7N-N6H-D7H 120.632 8.225 8.365 1 -- D7N-N6HD22-D7H 120.620 7.643 8.368 1 -- D7N-N6HA-D7H 120.634 4.731 8.366 1 -- D7N-D7HA-D7H 120.631 4.477 8.366 1 -- D7N-A8HA-D7H 120.627 4.222 8.366 1 -- D7N-D7HB3-D7H 120.634 2.664 8.366 1 -- D7N-N6HB2-D7H 120.629 2.831 8.366 3 -- D7N-N6HB3-D7H 120.629 2.831 8.366 3 -- D7N-A8QB-D7H 120.649 1.400 8.365 1 -- D7N-L10QD2-D7H 120.681 0.703 8.364 2 -- A8N-D7H-A8H 123.236 8.371 8.171 1 -- A8N-L10H-A8H 123.242 8.066 8.171 1 -- A8N-D7HA-A8H 123.242 4.478 8.172 1 -- A8N-A8HA-A8H 123.238 4.224 8.172 1 -- L50N-E49HA-L50H 123.238 4.224 8.172 1 -- R39N-R39HA-R39H 123.293 4.342 8.172 1 -- R39N-A40HA-R39H 123.293 4.342 8.172 1 -- A8N-N6HB2-A8H 123.236 2.812 8.171 3 -- A8N-D7HB2-A8H 123.239 2.674 8.172 1 -- A8N-D7HB3-A8H 123.239 2.674 8.172 1 -- R39N-R39HB2-R39H 123.262 1.749 8.176 1 -- A8N-A8QB-A8H 123.240 1.401 8.172 1 -- A8N-L10QD2-A8H 123.240 0.674 8.171 2 -- D9N-L10QD2-D9H 119.895 0.673 8.214 2 -- D9N-A8QB-D9H 119.881 1.400 8.214 1 -- D9N-P4HB2-D9H 119.887 1.925 8.214 2 -- D9N-D9HB2-D9H 119.882 2.707 8.214 2 -- D9N-D9HB3-D9H 119.914 2.762 8.216 2 -- D9N-A8HA-D9H 119.884 4.222 8.214 1 -- D9N-D9HA-D9H 119.881 4.547 8.214 1 -- D9N-A12H-D9H 119.922 7.845 8.214 1 -- D9N-L10H-D9H 119.888 8.113 8.214 1 -- D9N-D7H-D9H 119.879 8.344 8.213 1 -- L10N-D9H-L10H 122.561 8.212 8.094 1 -- L10N-A12H-L10H 122.550 7.834 8.095 1 -- L10N-L13H-L10H 122.586 7.740 8.094 1 -- L10N-D7H-L10H 122.514 8.379 8.090 1 -- L10N-D9HA-L10H 122.562 4.546 8.095 1 -- L10N-D7HA-L10H 122.561 4.477 8.096 1 -- L10N-L10HA-L10H 122.548 4.131 8.095 1 -- L10N-A8HA-L10H 122.585 4.229 8.095 1 -- L10N-D9HB2-L10H 122.553 2.710 8.095 2 -- L10N-L10HB2-L10H 122.551 1.923 8.095 2 -- L10N-L10HG-L10H 122.556 1.715 8.095 1 -- L10N-L10HB3-L10H 122.563 1.539 8.095 2 -- L10N-A8QB-L10H 122.565 1.410 8.095 1 -- L10N-L10QD2-L10H 122.557 0.671 8.095 2 -- D11N-L14QD2-D11H 118.989 0.966 8.133 2 -- D11N-L10QD2-D11H 118.978 0.680 8.133 2 -- D11N-L10HB2-D11H 118.982 1.924 8.133 2 -- D11N-L10HG-D11H 118.980 1.715 8.132 1 -- D11N-L14HG-D11H 118.980 1.715 8.132 1 -- D11N-L10HB3-D11H 118.985 1.529 8.133 2 -- D11N-A8QB-D11H 118.972 1.405 8.133 1 -- D11N-L14HB2-D11H 118.983 2.113 8.135 2 -- D11N-D11HB3-D11H 118.980 2.729 8.133 1 -- D11N-D11HB2-D11H 118.983 2.670 8.137 1 -- D11N-A8HA-D11H 118.990 4.221 8.132 1 -- D11N-L10HA-D11H 118.973 4.135 8.133 1 -- D11N-D11HA-D11H 118.982 4.464 8.133 1 -- D11N-D9HA-D11H 118.983 4.533 8.136 1 -- D11N-L13H-D11H 118.983 7.735 8.135 1 -- D11N-A12H-D11H 118.982 7.836 8.133 1 -- A12N-D11H-A12H 121.382 8.140 7.825 1 -- A12N-L13H-A12H 121.390 7.727 7.825 1 -- A12N-L10HA-A12H 121.380 4.112 7.824 1 -- A12N-A12HA-A12H 121.383 4.220 7.825 1 -- A12N-D11HA-A12H 121.384 4.464 7.825 1 -- A12N-D9HA-A12H 121.388 4.537 7.825 1 -- A12N-D11HB3-A12H 121.376 2.726 7.826 1 -- A12N-L14HB2-A12H 121.396 2.123 7.824 2 -- A12N-L13HB3-A12H 121.399 1.966 7.824 1 -- A12N-A12QB-A12H 121.385 1.519 7.825 1 -- L13N-L13QD1-L13H 120.130 0.927 7.734 1 -- L13N-L13QD2-L13H 120.130 0.927 7.734 1 -- L13N-L13HB2-L13H 120.132 1.692 7.734 1 -- L13N-A12QB-L13H 120.130 1.520 7.733 1 -- L13N-L13HB3-L13H 120.130 1.991 7.733 1 -- L13N-L14HB2-L13H 120.129 2.122 7.733 2 -- L13N-L13HG-L13H 120.128 1.755 7.736 1 -- L13N-D16HB2-L13H 120.136 2.868 7.733 1 -- L13N-L14HA-L13H 120.158 3.736 7.734 1 -- L13N-L13HA-L13H 120.127 4.235 7.733 1 -- L13N-L10HA-L13H 120.133 4.130 7.733 1 -- L13N-D11HA-L13H 120.121 4.471 7.734 1 -- L13N-D9HA-L13H 120.128 4.520 7.737 1 -- L13N-L14H-L13H 120.136 8.144 7.733 1 -- L13N-D16H-L13H 120.106 8.274 7.733 1 -- L13N-A12H-L13H 120.125 7.847 7.732 1 -- L14N-D15H-L14H 120.491 8.016 8.135 1 -- L14N-D16H-L14H 120.504 8.272 8.137 1 -- L14N-A12H-L14H 120.467 7.849 8.133 1 -- L14N-L13H-L14H 120.492 7.741 8.135 1 -- L14N-F95QE-L14H 120.476 7.098 8.135 1 -- L14N-F95HZ-L14H 120.553 7.303 8.135 1 -- L14N-D11HA-L14H 120.496 4.463 8.134 1 -- L14N-L13HA-L14H 120.501 4.236 8.135 1 -- L14N-L10HA-L14H 120.492 4.136 8.132 1 -- E23N-E23HA-E23H 120.492 4.136 8.132 1 -- L14N-L14HA-L14H 120.488 3.744 8.135 1 -- L14N-C17HB3-L14H 120.505 3.115 8.134 2 -- L14N-D16HB2-L14H 120.460 2.897 8.137 1 -- L14N-D15HB3-L14H 120.485 2.721 8.135 1 -- L14N-L14HB2-L14H 120.486 2.122 8.135 2 -- L14N-L13HB3-L14H 120.489 1.995 8.135 1 -- L14N-L14HG-L14H 120.488 1.735 8.135 2 -- L14N-L14HB3-L14H 120.486 1.522 8.135 2 -- L14N-L13QD1-L14H 120.495 0.963 8.135 1 -- L14N-L14QD2-L14H 120.495 0.963 8.135 1 -- L14N-L14QD1-L14H 120.488 0.678 8.134 2 -- L14N-L99QD2-L14H 120.496 0.060 8.136 2 -- D15N-L99QD2-D15H 118.551 0.056 7.994 2 -- D15N-L14QD2-D15H 118.537 0.965 7.994 2 -- D15N-L18QD2-D15H 118.567 0.697 7.994 2 -- D15N-L14HB2-D15H 118.556 2.127 7.994 2 -- D15N-L18HB2-D15H 118.570 1.979 7.996 1 -- D15N-K125HB3-D15H 118.570 1.979 7.996 1 -- D15N-L14HG-D15H 118.556 1.733 7.994 1 -- D15N-L14HB3-D15H 118.567 1.520 7.994 2 -- D15N-D16HB2-D15H 118.555 2.877 7.994 1 -- D15N-K125QE-D15H 118.555 2.877 7.994 1 -- D15N-D15HB3-D15H 118.569 2.742 7.995 1 -- D15N-D15HB2-D15H 118.562 2.646 7.994 1 -- D15N-L14HA-D15H 118.524 3.745 7.994 1 -- D15N-D15HA-D15H 118.564 4.391 7.995 1 -- D15N-A12HA-D15H 118.556 4.225 7.994 1 -- D15N-L18H-D15H 118.588 8.619 7.994 1 -- D15N-D16H-D15H 118.578 8.300 7.995 1 -- D15N-L14H-D15H 118.614 8.123 7.995 1 -- D15N-L13H-D15H 118.545 7.728 7.993 1 -- D16N-D15H-D16H 120.025 8.008 8.293 1 -- D16N-N19HD21-D16H 119.993 7.834 8.294 1 -- D16N-L18H-D16H 120.027 8.611 8.294 1 -- D16N-C17H-D16H 120.036 8.492 8.294 1 -- D16N-N19HD22-D16H 120.048 6.954 8.292 1 -- D16N-D16HA-D16H 120.022 4.486 8.293 1 -- D16N-D15HA-D16H 120.019 4.385 8.294 1 -- D16N-L13HA-D16H 120.024 4.237 8.294 1 -- E49N-E49HA-E49H 120.024 4.237 8.294 1 -- D16N-L14HA-D16H 120.042 3.740 8.296 1 -- D16N-C17HB3-D16H 120.057 3.086 8.292 2 -- D16N-D16HB3-D16H 120.024 2.899 8.293 1 -- D16N-D15HB3-D16H 120.024 2.745 8.293 1 -- D16N-D15HB2-D16H 120.030 2.643 8.294 1 -- D16N-L14HB2-D16H 120.033 2.123 8.293 2 -- D16N-L18HB2-D16H 119.999 1.972 8.294 2 -- D16N-A12QB-D16H 120.024 1.519 8.293 1 -- D16N-L14HB3-D16H 120.024 1.519 8.293 1 -- D16N-L13QD1-D16H 120.023 0.929 8.293 1 -- D16N-L18QD2-D16H 120.001 0.718 8.296 1 -- D16N-L99QD2-D16H 119.983 0.070 8.291 2 -- C17N-L13QD1-C17H 117.644 0.935 8.484 1 -- C17N-L14QD1-C17H 117.667 0.703 8.486 2 -- C17N-L18QD2-C17H 117.667 0.703 8.486 2 -- C17N-L18QD1-C17H 117.645 0.448 8.488 1 -- C17N-L99QD2-C17H 117.644 0.063 8.484 2 -- C17N-L18HB2-C17H 117.671 1.954 8.487 2 -- C17N-L18HG-C17H 117.659 1.855 8.485 1 -- C17N-L13HG-C17H 117.650 1.739 8.485 1 -- C17N-L14HB3-C17H 117.668 1.518 8.484 2 -- C17N-C17HB3-C17H 117.650 3.102 8.484 2 -- C17N-D16HB2-C17H 117.654 2.881 8.485 3 -- C17N-D16HB3-C17H 117.654 2.881 8.485 3 -- C17N-C17HB2-C17H 117.653 2.647 8.485 2 -- C17N-D16HA-C17H 117.660 4.485 8.484 1 -- C17N-D15HA-C17H 117.657 4.386 8.485 1 -- C17N-C17HA-C17H 117.657 4.247 8.485 1 -- C17N-L18HA-C17H 117.621 4.026 8.486 1 -- C17N-L14HA-C17H 117.674 3.743 8.486 1 -- C17N-L18H-C17H 117.658 8.621 8.484 1 -- C17N-D16H-C17H 117.654 8.300 8.485 1 -- C17N-L14H-C17H 117.648 8.157 8.484 1 -- C17N-D15H-C17H 117.661 8.006 8.486 1 -- C17N-F95HZ-C17H 117.675 7.297 8.487 1 -- C17N-F95QD-C17H 117.632 7.072 8.480 1 -- L18N-F95HZ-L18H 122.096 7.298 8.616 1 -- L18N-F95QE-L18H 122.105 7.129 8.614 1 -- L18N-N19HD22-L18H 122.105 6.904 8.612 1 -- L18N-D15H-L18H 122.076 8.005 8.615 1 -- L18N-M21H-L18H 122.076 8.005 8.615 1 -- L18N-C17H-L18H 122.096 8.499 8.616 1 -- L18N-N19H-L18H 122.115 8.279 8.617 1 -- L18N-D16HA-L18H 122.096 4.476 8.616 1 -- L18N-D15HA-L18H 122.102 4.388 8.617 1 -- L18N-C17HA-L18H 122.108 4.249 8.616 1 -- L18N-L18HA-L18H 122.099 4.007 8.617 1 -- L18N-L14HA-L18H 122.077 3.742 8.615 1 -- L18N-C17HB3-L18H 122.109 3.096 8.616 2 -- L18N-D16HB3-L18H 122.132 2.948 8.614 1 -- L18N-D16HB2-L18H 122.102 2.866 8.616 3 -- L18N-M21HG2-L18H 122.101 2.743 8.616 1 -- L18N-C17HB2-L18H 122.084 2.649 8.616 2 -- L18N-L18HB2-L18H 122.100 1.956 8.617 2 -- L18N-L18HG-L18H 122.098 1.850 8.616 1 -- L18N-L18HB3-L18H 122.105 1.432 8.617 2 -- L18N-L13QD1-L18H 122.100 0.970 8.612 1 -- L18N-L18QD2-L18H 122.100 0.723 8.617 1 -- L18N-L18QD1-L18H 122.096 0.435 8.616 1 -- L18N-L99QD2-L18H 122.100 0.061 8.616 2 -- N19N-L18HB3-N19H 118.188 1.437 8.267 2 -- N19N-L18QD2-N19H 118.182 0.723 8.267 1 -- N19N-L18QD1-N19H 118.205 0.440 8.268 1 -- N19N-M21HB2-N19H 118.188 2.278 8.262 2 -- N19N-L18HB2-N19H 118.195 1.955 8.267 2 -- N19N-L18HG-N19H 118.166 1.849 8.267 1 -- N19N-N19HB3-N19H 118.186 3.073 8.267 1 -- N19N-N19HB2-N19H 118.188 2.964 8.267 1 -- N19N-M21HG2-N19H 118.203 2.723 8.266 1 -- N19N-N19HA-N19H 118.190 4.479 8.267 1 -- N19N-L18HA-N19H 118.201 4.015 8.267 1 -- N19N-N19HD22-N19H 118.177 6.935 8.268 1 -- N19N-M21H-N19H 118.198 7.992 8.265 1 -- N19N-N19HD21-N19H 118.184 7.832 8.267 1 -- N19N-L18H-N19H 118.185 8.628 8.266 1 -- T20N-M21H-T20H 117.428 7.997 8.275 1 -- T20N-N19HD21-T20H 117.407 7.849 8.277 1 -- T20N-T20HB-T20H 117.417 4.395 8.275 1 -- T20N-C17HA-T20H 117.427 4.245 8.274 1 -- T20N-T20HA-T20H 117.419 4.087 8.274 1 -- T20N-N19HA-T20H 117.429 4.464 8.278 1 -- T20N-N19HB3-T20H 117.413 3.072 8.275 1 -- T20N-N19HB2-T20H 117.409 2.967 8.275 1 -- T20N-M21HG2-T20H 117.409 2.749 8.277 1 -- T20N-M21HB2-T20H 117.405 2.270 8.274 2 -- T20N-M21QE-T20H 117.412 2.185 8.276 1 -- T20N-E23HB2-T20H 117.412 2.185 8.276 1 -- T20N-L18HB2-T20H 117.412 1.962 8.276 2 -- T20N-T20QG2-T20H 117.423 1.282 8.275 1 -- D22N-T20QG2-D22H 119.987 1.293 8.000 1 -- D22N-M21HB2-D22H 120.018 2.266 8.000 2 -- D22N-E23HB2-D22H 120.021 2.172 8.002 2 -- D22N-D22HB2-D22H 120.012 2.802 8.000 2 -- D22N-D22HB3-D22H 120.021 2.748 8.002 2 -- D22N-M21HA-D22H 119.985 4.221 7.998 2 -- I27N-R26HA-I27H 119.985 4.221 7.998 2 -- D22N-T20HA-D22H 120.003 4.107 8.000 1 -- I27N-Q24HA-I27H 120.003 4.107 8.000 1 -- D22N-D22HA-D22H 120.016 4.473 8.000 1 -- D22N-T20H-D22H 120.023 8.284 7.999 1 -- I27N-E29H-I27H 120.023 8.284 7.999 1 -- E23N-Q24H-E23H 120.597 8.208 8.091 1 -- E23N-D22H-E23H 120.586 8.000 8.091 1 -- E23N-D22HA-E23H 120.579 4.474 8.091 1 -- E23N-E23HA-E23H 120.581 4.119 8.090 1 -- E23N-M21HA-E23H 120.595 4.215 8.093 1 -- E23N-D22HB2-E23H 120.582 2.805 8.091 2 -- E23N-D22HB3-E23H 120.579 2.753 8.091 2 -- E23N-E23HB2-E23H 120.589 2.159 8.090 1 -- E23N-E23HG3-E23H 120.595 2.350 8.093 2 -- E23N-T20QG2-E23H 120.595 1.292 8.090 1 -- Q24N-T20QG2-Q24H 118.046 1.283 8.195 1 -- Q24N-I27QD1-Q24H 118.021 0.847 8.196 1 -- Q24N-I27HG12-Q24H 117.999 1.175 8.192 2 -- N6N-A8QB-N6H 118.054 1.424 8.185 1 -- Q24N-R26HG2-Q24H 118.009 1.569 8.195 1 -- Q24N-R26HG3-Q24H 117.984 1.724 8.195 1 -- N6N-P4HB2-N6H 118.072 1.942 8.185 2 -- N6N-P4HB2-N6H 118.010 1.880 8.195 2 -- Q24N-Q24HB3-Q24H 118.020 2.172 8.195 1 -- Q24N-Q24HG2-Q24H 118.029 2.528 8.196 2 -- N6N-D5HB3-N6H 118.010 2.713 8.197 1 -- N6N-N6HB2-N6H 118.010 2.817 8.196 3 -- N6N-N6HB3-N6H 118.010 2.817 8.196 3 -- Q24N-M21HA-Q24H 118.028 4.211 8.195 1 -- Q24N-Q24HA-Q24H 118.023 4.106 8.195 1 -- Q24N-D22HA-Q24H 118.067 4.492 8.188 1 -- Q24N-Q24HE21-Q24H 118.010 7.525 8.198 1 -- N6N-N6HD22-N6H 118.030 7.641 8.194 1 -- Q24N-M21H-Q24H 118.023 7.949 8.194 1 -- Q24N-R26H-Q24H 118.023 7.949 8.194 1 -- Q24N-E23H-Q24H 118.022 8.078 8.194 1 -- Q24N-E25H-Q24H 118.022 8.078 8.194 1 -- E25N-Q24H-E25H 119.652 8.198 8.051 1 -- E25N-R26H-E25H 119.634 7.924 8.052 1 -- E25N-D22HA-E25H 119.652 4.476 8.053 1 -- E25N-E25HA-E25H 119.642 4.208 8.053 1 -- E25N-Q24HA-E25H 119.641 4.110 8.053 1 -- E25N-R26QD-E25H 119.630 3.225 8.054 1 -- E25N-D22HB3-E25H 119.623 2.741 8.055 2 -- E25N-E25HG3-E25H 119.645 2.404 8.053 2 -- E25N-E25HG2-E25H 119.639 2.325 8.054 2 -- E25N-E25QB-E25H 119.640 2.144 8.053 1 -- E25N-R26QB-E25H 119.635 1.884 8.052 1 -- E25N-I27HB-E25H 119.635 1.884 8.052 1 -- E25N-R26HG3-E25H 119.677 1.721 8.054 1 -- E25N-R26HG2-E25H 119.651 1.563 8.054 1 -- E25N-Q24HG2-E25H 119.645 2.522 8.054 2 -- E25N-T20QG2-E25H 119.643 1.276 8.055 1 -- E25N-I27QD1-E25H 119.605 0.831 8.054 1 -- R26N-I27QD1-R26H 120.247 0.843 7.913 1 -- R26N-I27HG12-R26H 120.247 1.175 7.913 2 -- R26N-E25HG2-R26H 120.229 2.306 7.913 2 -- R26N-E25QB-R26H 120.245 2.139 7.912 1 -- R26N-R26QB-R26H 120.235 1.890 7.912 1 -- R26N-R26HG3-R26H 120.243 1.712 7.912 1 -- R26N-R26HG2-R26H 120.235 1.598 7.911 1 -- R26N-R26QD-R26H 120.227 3.207 7.913 1 -- R26N-R26HA-R26H 120.233 4.207 7.912 1 -- R26N-I27HA-R26H 120.247 3.971 7.914 1 -- R26N-E23HA-R26H 120.247 4.116 7.912 1 -- R26N-E25H-R26H 120.218 8.049 7.911 1 -- R26N-Q24H-R26H 120.222 8.208 7.911 1 -- R26N-H28H-R26H 120.222 8.208 7.911 1 -- I27N-H28H-I27H 119.854 8.230 7.964 1 -- D22N-M21HA-D22H 119.852 4.209 7.964 2 -- I27N-R26HA-I27H 119.852 4.209 7.964 2 -- I27N-Q24HA-I27H 119.862 4.117 7.965 1 -- I27N-I27HA-I27H 119.855 3.969 7.964 1 -- I27N-R26QD-I27H 119.838 3.210 7.963 1 -- D22N-E23HB2-D22H 119.860 2.156 7.969 3 -- I27N-E25QB-I27H 119.860 2.156 7.969 3 -- I27N-I27HB-I27H 119.855 1.866 7.964 1 -- I27N-R26HG3-I27H 119.843 1.712 7.963 1 -- I27N-I27HG13-I27H 119.855 1.521 7.964 2 -- I27N-I27HG12-I27H 119.854 1.185 7.964 2 -- D22N-M21HB3-D22H 119.862 2.306 7.968 2 -- I27N-I27QD1-I27H 119.851 0.851 7.964 1 -- H28N-I27QG2-H28H 120.823 0.852 8.212 1 -- H28N-I27HG12-H28H 120.831 1.190 8.215 2 -- H28N-I27HG13-H28H 120.839 1.528 8.213 2 -- H28N-I27HB-H28H 120.889 1.853 8.214 1 -- H28N-E30HG3-H28H 120.793 2.322 8.214 2 -- H28N-H28QB-H28H 120.833 3.229 8.212 1 -- H28N-H28QB-H28H 120.842 3.282 8.215 1 -- H28N-I27HA-H28H 120.822 3.968 8.213 1 -- H28N-E25HA-H28H 120.842 4.205 8.213 1 -- H28N-R26HA-H28H 120.842 4.205 8.213 1 -- H28N-H28HA-H28H 120.830 4.554 8.213 1 -- H28N-H28HD2-H28H 120.842 7.209 8.214 1 -- H28N-I27H-H28H 120.844 7.964 8.212 1 -- E29N-H28HA-E29H 121.617 4.557 8.279 1 -- K31N-H28HA-K31H 121.617 4.557 8.279 1 -- E29N-E29HA-E29H 121.617 4.222 8.277 1 -- K31N-K31HA-K31H 121.617 4.222 8.277 1 -- E34N-E34HA-E34H 121.617 4.222 8.277 1 -- E29N-H28QB-E29H 121.604 3.284 8.277 1 -- E29N-E29QG-E29H 121.591 2.295 8.277 1 -- E34N-E34HG3-E34H 121.591 2.295 8.277 1 -- E29N-E29HB2-E29H 121.617 2.043 8.279 1 -- E34N-Q33HB2-E34H 121.617 2.043 8.279 1 -- E34N-E34HB2-E34H 121.617 2.043 8.279 1 -- K31N-K31HB2-K31H 121.617 1.824 8.276 3 -- K31N-K31HB3-K31H 121.617 1.824 8.276 3 -- K31N-K31QD-K31H 121.617 1.665 8.279 1 -- K31N-K31HG2-K31H 121.617 1.444 8.277 1 -- E29N-I27QG2-E29H 121.617 0.842 8.279 1 -- K31N-I27QG2-K31H 121.617 0.842 8.279 1 -- E30N-I27QG2-E30H 121.998 0.854 8.444 1 -- E30N-I27QD1-E30H 121.998 0.854 8.444 1 -- E30N-K31HG2-E30H 121.966 1.427 8.443 1 -- E30N-A32QB-E30H 121.966 1.427 8.443 1 -- E30N-E30HG3-E30H 121.968 2.358 8.443 1 -- E30N-E29QG-E30H 121.964 2.264 8.442 1 -- E30N-E30HG2-E30H 121.964 2.264 8.442 1 -- E30N-E29HB2-E30H 121.969 2.051 8.443 1 -- E30N-E30HB2-E30H 121.969 2.051 8.443 1 -- E30N-R26QB-E30H 121.950 1.876 8.443 3 -- E30N-K31HB3-E30H 121.979 1.804 8.445 3 -- E30N-R26QD-E30H 121.987 3.226 8.439 1 -- E30N-H28QB-E30H 121.987 3.226 8.439 1 -- E30N-E30HA-E30H 121.974 4.208 8.443 1 -- E30N-I27HA-E30H 121.963 3.965 8.442 1 -- E30N-H28HA-E30H 121.958 4.558 8.441 1 -- E30N-E29H-E30H 121.967 8.294 8.443 1 -- E30N-K31H-E30H 121.967 8.294 8.443 1 -- E29N-E30H-E29H 121.279 8.438 8.278 1 -- K31N-E30H-K31H 121.279 8.438 8.278 1 -- Q43N-D42HA-Q43H 121.159 4.585 8.281 1 -- K31N-K31HE3-K31H 121.133 2.962 8.277 3 -- Q43N-D42HB2-Q43H 121.109 2.653 8.282 1 -- E29N-E29HA-E29H 121.221 4.224 8.280 1 -- K31N-K31HA-K31H 121.221 4.224 8.280 1 -- E29N-I27HA-E29H 121.221 3.987 8.280 1 -- K31N-I27HA-K31H 121.221 3.987 8.280 1 -- E29N-R26QD-E29H 121.221 3.200 8.281 1 -- E29N-H28QB-E29H 121.221 3.281 8.279 1 -- E29N-E29QG-E29H 121.221 2.268 8.280 1 -- K31N-E30HG2-K31H 121.221 2.268 8.280 1 -- K31N-E30HG3-K31H 121.221 2.347 8.281 1 -- Q43N-Q43QG-Q43H 121.221 2.347 8.281 1 -- E29N-E29HB2-E29H 121.221 2.050 8.280 1 -- K31N-E30HB2-K31H 121.221 2.050 8.280 1 -- K31N-K31HB3-K31H 121.221 1.824 8.280 3 -- K31N-K31QD-K31H 121.224 1.671 8.277 1 -- K31N-K31HG2-K31H 121.221 1.461 8.279 3 -- K31N-I27QG2-K31H 121.221 0.845 8.279 1 -- A32N-H28HA-A32H 124.206 4.567 8.172 1 -- A32N-Q33HG2-A32H 124.257 2.398 8.171 3 -- A32N-E29QG-A32H 124.251 2.305 8.173 1 -- A32N-E34HG3-A32H 124.251 2.305 8.173 1 -- A32N-K31HB2-A32H 124.243 1.829 8.172 3 -- A32N-K31HB3-A32H 124.243 1.829 8.172 3 -- A36N-R35HB2-A36H 124.243 1.829 8.172 3 -- A32N-A32QB-A32H 124.252 1.410 8.173 1 -- A36N-A36QB-A36H 124.252 1.410 8.173 1 -- A36N-R35HG2-A36H 124.287 1.658 8.172 3 -- A36N-R35HG3-A36H 124.287 1.658 8.172 3 -- A36N-R35QD-A36H 124.262 3.201 8.172 1 -- A36N-A36HA-A36H 124.257 4.245 8.173 1 -- Q33N-Q33HA-Q33H 118.817 4.217 8.257 1 -- Q33N-A32H-Q33H 118.823 8.167 8.259 1 -- Q33N-Q33HG2-Q33H 118.824 2.419 8.257 3 -- Q33N-Q33HG3-Q33H 118.824 2.419 8.257 3 -- Q33N-E34HG3-Q33H 118.790 2.294 8.257 1 -- Q33N-Q33HB2-Q33H 118.813 2.044 8.257 2 -- Q33N-K31HB2-Q33H 118.802 1.835 8.256 3 -- Q33N-K31HB3-Q33H 118.802 1.835 8.256 3 -- Q33N-R35HG2-Q33H 118.756 1.632 8.252 3 -- Q33N-A32QB-Q33H 118.815 1.408 8.257 1 -- E29N-E29HA-E29H 121.740 4.223 8.253 1 -- E34N-E34HA-E34H 121.740 4.223 8.253 1 -- E29N-E29QG-E29H 121.728 2.306 8.253 1 -- E34N-E34HG3-E34H 121.728 2.306 8.253 1 -- E29N-E29HB2-E29H 121.743 2.039 8.253 1 -- E34N-Q33HB2-E34H 121.743 2.039 8.253 1 -- E34N-E34HB2-E34H 121.743 2.039 8.253 1 -- E34N-A32QB-E34H 121.752 1.415 8.252 2 -- E29N-K31HB3-E29H 121.774 1.819 8.254 2 -- E34N-R35HB2-E34H 121.774 1.819 8.254 2 -- E34N-R35HG3-E34H 121.774 1.660 8.251 1 -- R35N-E34HG3-R35H 121.340 2.279 8.230 1 -- R35N-E34HB2-R35H 121.342 2.047 8.231 1 -- R35N-R35HB2-R35H 121.287 1.816 8.230 2 -- R35N-R35HG3-R35H 121.304 1.668 8.230 1 -- R35N-A36QB-R35H 121.322 1.417 8.230 1 -- R35N-R35QD-R35H 121.319 3.202 8.233 1 -- R35N-R35HA-R35H 121.315 4.227 8.230 1 -- A37N-T38H-A37H 122.699 8.022 8.189 1 -- L50N-E49HA-L50H 122.764 4.248 8.196 1 -- A37N-A37HA-A37H 122.713 4.309 8.194 1 -- A37N-A36QB-A37H 122.712 1.422 8.193 1 -- A37N-A37QB-A37H 122.712 1.422 8.193 1 -- A37N-T38QG2-A37H 122.696 1.228 8.190 1 -- T38N-R39HB2-T38H 113.112 1.794 8.011 1 -- T38N-R39HG2-T38H 113.120 1.639 8.009 3 -- T38N-R39HG3-T38H 113.120 1.639 8.009 3 -- T38N-A37QB-T38H 113.095 1.422 8.009 1 -- T38N-T38QG2-T38H 113.083 1.211 8.009 1 -- T38N-A37HA-T38H 113.090 4.301 8.010 1 -- T38N-T38HA-T38H 113.090 4.301 8.010 1 -- T38N-T38HA-T38H 113.085 4.232 8.012 1 -- T38N-A37H-T38H 113.080 8.195 8.009 1 -- T38N-R39H-T38H 113.080 8.195 8.009 1 -- R39N-T38H-R39H 123.412 8.038 8.204 1 -- R39N-T38HA-R39H 123.365 4.297 8.205 1 -- R39N-R39HA-R39H 123.365 4.297 8.205 1 -- R39N-R39QD-R39H 123.388 3.205 8.210 1 -- R39N-R39HB2-R39H 123.370 1.778 8.205 1 -- R39N-R39HG2-R39H 123.388 1.643 8.206 3 -- R39N-R39HG3-R39H 123.388 1.643 8.206 3 -- R39N-T38QG2-R39H 123.345 1.215 8.206 1 -- A40N-R39HB3-A40H 125.734 1.843 8.316 1 -- A40N-R39HG2-A40H 125.765 1.648 8.314 3 -- A40N-R39HG3-A40H 125.765 1.648 8.314 3 -- A40N-A40QB-A40H 125.729 1.387 8.316 1 -- A40N-T38QG2-A40H 125.795 1.221 8.313 1 -- A40N-V41QG1-A40H 125.705 0.927 8.315 3 -- A40N-V41QG2-A40H 125.705 0.927 8.315 3 -- A40N-R39HA-A40H 125.731 4.331 8.316 1 -- A40N-A40HA-A40H 125.731 4.331 8.316 1 -- A40N-R39H-A40H 125.704 8.195 8.317 1 -- A40N-V41H-A40H 125.719 8.074 8.316 1 -- V41N-A40HA-V41H 118.672 4.322 8.072 1 -- V41N-V41HA-V41H 118.684 4.076 8.070 1 -- V41N-D42HB3-V41H 118.684 2.712 8.073 1 -- V41N-V41HB-V41H 118.677 2.090 8.072 1 -- V41N-A40QB-V41H 118.686 1.388 8.072 1 -- V41N-V41QG1-V41H 118.678 0.933 8.072 3 -- D42N-V41HB-D42H 123.218 2.092 8.292 1 -- D42N-V41QG1-D42H 123.225 0.930 8.292 3 -- D42N-V41QG2-D42H 123.225 0.930 8.292 3 -- D42N-D42HB2-D42H 123.223 2.651 8.292 1 -- D42N-D42HB3-D42H 123.239 2.697 8.293 1 -- D42N-V41HA-D42H 123.220 4.069 8.292 1 -- D42N-D42HA-D42H 123.220 4.592 8.292 1 -- D42N-A40HA-D42H 123.221 4.315 8.292 1 -- D42N-V41H-D42H 123.226 8.083 8.291 1 -- K31N-E30HG3-K31H 121.125 2.359 8.284 1 -- Q43N-Q43QG-Q43H 121.125 2.359 8.284 1 -- K44N-K44HG2-K44H 122.106 1.436 8.357 3 -- K44N-K44HG3-K44H 122.106 1.436 8.357 3 -- K44N-Q43HB3-K44H 122.116 2.129 8.359 1 -- K44N-Q43HB2-K44H 122.115 1.978 8.355 1 -- K44N-K44HB2-K44H 122.106 1.814 8.358 3 -- K44N-K44HB3-K44H 122.106 1.814 8.358 3 -- K44N-Q43QG-K44H 122.071 2.354 8.361 1 -- K44N-K44HA-K44H 122.111 4.287 8.357 1 -- K44N-S45H-K44H 122.166 8.234 8.356 1 -- A46N-S45HA-A46H 126.132 4.405 8.372 1 -- A46N-S45HB2-A46H 126.112 3.883 8.371 1 -- A46N-A46QB-A46H 126.134 1.424 8.372 1 -- T47N-A46QB-T47H 112.588 1.417 8.031 1 -- T47N-T47QG2-T47H 112.603 1.198 8.031 1 -- T47N-A46HA-T47H 112.582 4.377 8.031 1 -- T47N-T47HA-T47H 112.582 4.265 8.031 1 -- T47N-T47HB-T47H 112.582 4.265 8.031 1 -- T47N-A46H-T47H 112.573 8.394 8.031 1 -- A48N-T47HA-A48H 126.200 4.292 8.196 1 -- A48N-A48HA-A48H 126.200 4.292 8.196 1 -- A48N-A48QB-A48H 126.197 1.387 8.196 1 -- A48N-T47QG2-A48H 126.229 1.206 8.197 1 -- E49N-E49HG2-E49H 119.855 2.257 8.332 1 -- E49N-E49HB3-E49H 119.858 2.036 8.332 2 -- E49N-E49HB2-E49H 119.862 1.934 8.331 2 -- E49N-A48QB-E49H 119.862 1.390 8.332 1 -- E49N-A48HA-E49H 119.859 4.277 8.331 1 -- L50N-L50HA-L50H 122.902 4.377 8.203 1 -- L50N-S51QB-L50H 122.880 3.886 8.203 1 -- L50N-E49HB3-L50H 122.843 2.036 8.203 2 -- A8N-P4HB2-A8H 122.885 1.934 8.203 2 -- L50N-E49HB2-L50H 122.885 1.934 8.203 2 -- L50N-L50QB-L50H 122.890 1.653 8.204 1 -- S51N-L50QB-S51H 116.345 1.640 8.275 2 -- S51N-E49HB3-S51H 116.297 2.041 8.275 2 -- S45N-S45HB2-S45H 116.330 3.884 8.275 1 -- S51N-S51QB-S51H 116.330 3.884 8.275 1 -- S45N-S45HA-S45H 116.309 4.426 8.274 1 -- S51N-S51HA-S51H 116.309 4.426 8.274 1 -- G52N-S51HA-G52H 110.644 4.450 8.344 1 -- G52N-G52QA-G52H 110.647 3.961 8.354 1 -- G53N-G53HA2-G53H 108.674 3.860 8.154 3 -- G53N-G53HA3-G53H 108.674 3.860 8.154 3 -- Y54N-G53HA2-Y54H 124.445 3.857 7.554 3 -- Y54N-G53HA3-Y54H 124.445 3.857 7.554 3 -- Y54N-Y54HB2-Y54H 124.461 2.864 7.553 1 -- Y54N-Y54HA-Y54H 124.459 4.399 7.565 1 -- L13N-L99QD2-L13H 120.127 0.065 7.734 2 -- N6ND2-N6HB2-N6HD21 112.678 2.841 6.846 3 -- N6ND2-N6HB3-N6HD21 112.678 2.841 6.846 3 -- N19ND2-N19HD22-N19HD21 113.298 6.942 7.820 1 -- N19ND2-D16HA-N19HD21 113.288 4.483 7.820 1 -- N19ND2-N19HA-N19HD21 113.288 4.483 7.820 1 -- N19ND2-N19HB2-N19HD21 113.294 2.964 7.820 1 -- N19ND2-N19HB3-N19HD21 113.299 3.072 7.820 1 -- N19ND2-D15HB2-N19HD21 113.295 2.645 7.820 1 -- N19ND2-L18QD2-N19HD22 113.359 0.748 6.935 1 -- N19ND2-D15HB2-N19HD22 113.292 2.651 6.938 1 -- N19ND2-N19HB2-N19HD22 113.307 2.968 6.938 1 -- N19ND2-N19HB3-N19HD22 113.297 3.073 6.938 1 -- N19ND2-D16HA-N19HD22 113.311 4.486 6.939 1 -- N19ND2-N19HA-N19HD22 113.311 4.486 6.939 1 -- N19ND2-D15HA-N19HD22 113.258 4.379 6.940 1 -- T20N-N19HD22-T20H 117.347 6.953 8.273 1 -- M21N-L18QD1-M21H 120.885 0.447 7.984 1 -- M21N-L98QD1-M21H 120.855 0.977 7.983 2 -- M21N-T20QG2-M21H 120.870 1.282 7.983 1 -- M21N-L18QD2-M21H 120.925 0.703 7.983 1 -- M21N-L18HB2-M21H 120.885 1.971 7.982 2 -- M21N-M21HB2-M21H 120.872 2.264 7.984 2 -- M21N-M21HG3-M21H 120.877 2.761 7.984 3 -- M21N-M21HG2-M21H 120.877 2.761 7.984 3 -- M21N-N19HB3-M21H 120.874 3.089 7.985 1 -- M21N-T20HA-M21H 120.868 4.087 7.984 1 -- M21N-M21HA-M21H 120.863 4.229 7.984 1 -- M21N-T20HB-M21H 120.865 4.396 7.984 1 -- M21N-T20H-M21H 120.876 8.284 7.983 1 -- Q24NE2-Q24HE22-Q24HE21 111.739 6.799 7.533 1 -- Q24NE2-Q24HA-Q24HE21 111.728 4.096 7.532 1 -- Q24NE2-E25HA-Q24HE21 111.758 4.225 7.532 1 -- Q24NE2-Q24HG3-Q24HE21 111.743 2.490 7.532 2 -- Q24NE2-Q24HB2-Q24HE21 111.742 2.176 7.532 3 -- Q24NE2-Q24HB3-Q24HE21 111.742 2.176 7.532 3 -- Q24NE2-I27HB-Q24HE21 111.744 1.824 7.532 1 -- Q24NE2-I27QG2-Q24HE21 111.726 0.854 7.532 1 -- Q24NE2-I27QD1-Q24HE21 111.726 0.854 7.532 1 -- Q24NE2-Q24HE21-Q24HE22 111.740 7.543 6.796 1 -- Q24NE2-Q24HA-Q24HE22 111.744 4.087 6.796 1 -- Q24NE2-E25HA-Q24HE22 111.752 4.221 6.795 1 -- Q24NE2-Q24HB2-Q24HE22 111.742 2.179 6.796 3 -- Q24NE2-Q24HG3-Q24HE22 111.738 2.494 6.796 2 -- Q24NE2-I27QG2-Q24HE22 111.741 0.847 6.795 1 -- Q33NE2-Q33HE22-Q33HE21 112.402 6.856 7.572 1 -- Q33NE2-Q33HA-Q33HE21 112.382 4.221 7.572 1 -- Q33NE2-Q33HG2-Q33HE21 112.369 2.418 7.572 3 -- Q33NE2-Q33HG3-Q33HE21 112.369 2.418 7.572 3 -- Q33NE2-Q33HB2-Q33HE21 112.418 2.055 7.572 2 -- Q33NE2-Q33HE21-Q33HE22 112.442 7.553 6.851 1 -- Q33NE2-Q33HA-Q33HE22 112.414 4.221 6.850 1 -- Q33NE2-Q33HG2-Q33HE22 112.395 2.400 6.851 3 -- Q33NE2-Q33HG3-Q33HE22 112.395 2.400 6.851 3 -- Q33NE2-Q33HB2-Q33HE22 112.466 2.055 6.850 2 -- Q43NE2-Q43HE22-Q43HE21 112.480 6.855 7.511 1 -- S45N-K44HB2-S45H 116.581 1.825 8.245 3 -- S45N-K44HB3-S45H 116.581 1.825 8.245 3 -- S45N-S45HB2-S45H 116.549 3.876 8.245 1 -- S51N-S51QB-S51H 116.549 3.876 8.245 1 -- S45N-K44HA-S45H 116.562 4.295 8.244 1 -- S45N-S45HA-S45H 116.558 4.422 8.243 1 -- S51N-S51HA-S51H 116.558 4.422 8.243 1 -- N6N-D7H-N6H 117.977 8.362 8.223 1 -- D15N-C17H-D15H 118.530 8.490 7.994 1 -- N6N-D5HA-N6H 118.192 4.621 8.257 1 -- L14N-L13QD1-L14H 120.544 0.974 8.098 1 -- L14N-L14QD2-L14H 120.544 0.974 8.098 1 -- H3N-H3HA-H3H 121.214 4.938 8.510 1 -- Q24NE2-I27HG13-Q24HE22 111.701 1.531 6.795 2 -- N6ND2-N6HD21-N6HD22 112.699 6.851 7.628 1 -- N6ND2-N6HB2-N6HD22 112.691 2.841 7.628 3 -- N6ND2-N6HB3-N6HD22 112.691 2.841 7.628 3 -- ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 N . aliased 1824.152 Hz . . . 117.5 . . 35015 1 2 . . H 1 H . aliased 6352.352 Hz . . . 8.776 . . 35015 1 3 . . H 1 H 1 'not observed' 11709.602 Hz . . . 4.780 . . 35015 1 stop_ save_