data_51010 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51010 _Entry.Title ; Sequential backbone resonance assignment of AT-rich interaction domain of BAF250b ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-07 _Entry.Accession_date 2021-07-07 _Entry.Last_release_date 2021-07-07 _Entry.Original_release_date 2021-07-07 _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 _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 'Backbone resonance assignment of AT-rich interaction domain of BAF250b' _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 Malyasree Giri . . . . 51010 2 Parul Gupta . . . . 51010 3 Mahavir Singh . . . 0000-0003-1251-8248 51010 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51010 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 51010 '15N chemical shifts' 120 51010 '1H chemical shifts' 629 51010 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 . . 2022-05-06 . original BMRB . 51010 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51010 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35481652 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure and DNA binding analysis of AT-rich interaction domain present in human BAF-B specific subunit BAF250b ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 31 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e4294 _Citation.Page_last e4294 _Citation.Year 2022 _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 Malyasree Giri M. . . . 51010 1 2 Parul Gupta P. . . . 51010 1 3 Aditi Maulik A. . . . 51010 1 4 Magaly Gracias M. . . . 51010 1 5 Mahavir Singh M. . . . 51010 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51010 _Assembly.ID 1 _Assembly.Name BAF250b_ARID _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 BAF250b_ARID 1 $entity_1 . . yes native no no . . . 51010 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51010 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSTTTGEKITKVYELGNE PERKLWVDRYLTFMEERGSP VSSLPAVGKKPLDLFRLYVC VKEIGGLAQVNKNKKWRELA TNLNVGTSSSAASSLKKQYI QYLFAFECKIERGEEPPPEV FSTGDTLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'UNP Q8NFD5' _Entity.Polymer_author_seq_details ; 134 residues, residues 126-134 represent a non-native residues L, E and six H of affinity tag. This is the ARID domain of BAF250b. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 51010 1 2 . GLY . 51010 1 3 . SER . 51010 1 4 . SER . 51010 1 5 . THR . 51010 1 6 . THR . 51010 1 7 . THR . 51010 1 8 . GLY . 51010 1 9 . GLU . 51010 1 10 . LYS . 51010 1 11 . ILE . 51010 1 12 . THR . 51010 1 13 . LYS . 51010 1 14 . VAL . 51010 1 15 . TYR . 51010 1 16 . GLU . 51010 1 17 . LEU . 51010 1 18 . GLY . 51010 1 19 . ASN . 51010 1 20 . GLU . 51010 1 21 . PRO . 51010 1 22 . GLU . 51010 1 23 . ARG . 51010 1 24 . LYS . 51010 1 25 . LEU . 51010 1 26 . TRP . 51010 1 27 . VAL . 51010 1 28 . ASP . 51010 1 29 . ARG . 51010 1 30 . TYR . 51010 1 31 . LEU . 51010 1 32 . THR . 51010 1 33 . PHE . 51010 1 34 . MET . 51010 1 35 . GLU . 51010 1 36 . GLU . 51010 1 37 . ARG . 51010 1 38 . GLY . 51010 1 39 . SER . 51010 1 40 . PRO . 51010 1 41 . VAL . 51010 1 42 . SER . 51010 1 43 . SER . 51010 1 44 . LEU . 51010 1 45 . PRO . 51010 1 46 . ALA . 51010 1 47 . VAL . 51010 1 48 . GLY . 51010 1 49 . LYS . 51010 1 50 . LYS . 51010 1 51 . PRO . 51010 1 52 . LEU . 51010 1 53 . ASP . 51010 1 54 . LEU . 51010 1 55 . PHE . 51010 1 56 . ARG . 51010 1 57 . LEU . 51010 1 58 . TYR . 51010 1 59 . VAL . 51010 1 60 . CYS . 51010 1 61 . VAL . 51010 1 62 . LYS . 51010 1 63 . GLU . 51010 1 64 . ILE . 51010 1 65 . GLY . 51010 1 66 . GLY . 51010 1 67 . LEU . 51010 1 68 . ALA . 51010 1 69 . GLN . 51010 1 70 . VAL . 51010 1 71 . ASN . 51010 1 72 . LYS . 51010 1 73 . ASN . 51010 1 74 . LYS . 51010 1 75 . LYS . 51010 1 76 . TRP . 51010 1 77 . ARG . 51010 1 78 . GLU . 51010 1 79 . LEU . 51010 1 80 . ALA . 51010 1 81 . THR . 51010 1 82 . ASN . 51010 1 83 . LEU . 51010 1 84 . ASN . 51010 1 85 . VAL . 51010 1 86 . GLY . 51010 1 87 . THR . 51010 1 88 . SER . 51010 1 89 . SER . 51010 1 90 . SER . 51010 1 91 . ALA . 51010 1 92 . ALA . 51010 1 93 . SER . 51010 1 94 . SER . 51010 1 95 . LEU . 51010 1 96 . LYS . 51010 1 97 . LYS . 51010 1 98 . GLN . 51010 1 99 . TYR . 51010 1 100 . ILE . 51010 1 101 . GLN . 51010 1 102 . TYR . 51010 1 103 . LEU . 51010 1 104 . PHE . 51010 1 105 . ALA . 51010 1 106 . PHE . 51010 1 107 . GLU . 51010 1 108 . CYS . 51010 1 109 . LYS . 51010 1 110 . ILE . 51010 1 111 . GLU . 51010 1 112 . ARG . 51010 1 113 . GLY . 51010 1 114 . GLU . 51010 1 115 . GLU . 51010 1 116 . PRO . 51010 1 117 . PRO . 51010 1 118 . PRO . 51010 1 119 . GLU . 51010 1 120 . VAL . 51010 1 121 . PHE . 51010 1 122 . SER . 51010 1 123 . THR . 51010 1 124 . GLY . 51010 1 125 . ASP . 51010 1 126 . THR . 51010 1 127 . LEU . 51010 1 128 . GLU . 51010 1 129 . HIS . 51010 1 130 . HIS . 51010 1 131 . HIS . 51010 1 132 . HIS . 51010 1 133 . HIS . 51010 1 134 . HIS . 51010 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 51010 1 . GLY 2 2 51010 1 . SER 3 3 51010 1 . SER 4 4 51010 1 . THR 5 5 51010 1 . THR 6 6 51010 1 . THR 7 7 51010 1 . GLY 8 8 51010 1 . GLU 9 9 51010 1 . LYS 10 10 51010 1 . ILE 11 11 51010 1 . THR 12 12 51010 1 . LYS 13 13 51010 1 . VAL 14 14 51010 1 . TYR 15 15 51010 1 . GLU 16 16 51010 1 . LEU 17 17 51010 1 . GLY 18 18 51010 1 . ASN 19 19 51010 1 . GLU 20 20 51010 1 . PRO 21 21 51010 1 . GLU 22 22 51010 1 . ARG 23 23 51010 1 . LYS 24 24 51010 1 . LEU 25 25 51010 1 . TRP 26 26 51010 1 . VAL 27 27 51010 1 . ASP 28 28 51010 1 . ARG 29 29 51010 1 . TYR 30 30 51010 1 . LEU 31 31 51010 1 . THR 32 32 51010 1 . PHE 33 33 51010 1 . MET 34 34 51010 1 . GLU 35 35 51010 1 . GLU 36 36 51010 1 . ARG 37 37 51010 1 . GLY 38 38 51010 1 . SER 39 39 51010 1 . PRO 40 40 51010 1 . VAL 41 41 51010 1 . SER 42 42 51010 1 . SER 43 43 51010 1 . LEU 44 44 51010 1 . PRO 45 45 51010 1 . ALA 46 46 51010 1 . VAL 47 47 51010 1 . GLY 48 48 51010 1 . LYS 49 49 51010 1 . LYS 50 50 51010 1 . PRO 51 51 51010 1 . LEU 52 52 51010 1 . ASP 53 53 51010 1 . LEU 54 54 51010 1 . PHE 55 55 51010 1 . ARG 56 56 51010 1 . LEU 57 57 51010 1 . TYR 58 58 51010 1 . VAL 59 59 51010 1 . CYS 60 60 51010 1 . VAL 61 61 51010 1 . LYS 62 62 51010 1 . GLU 63 63 51010 1 . ILE 64 64 51010 1 . GLY 65 65 51010 1 . GLY 66 66 51010 1 . LEU 67 67 51010 1 . ALA 68 68 51010 1 . GLN 69 69 51010 1 . VAL 70 70 51010 1 . ASN 71 71 51010 1 . LYS 72 72 51010 1 . ASN 73 73 51010 1 . LYS 74 74 51010 1 . LYS 75 75 51010 1 . TRP 76 76 51010 1 . ARG 77 77 51010 1 . GLU 78 78 51010 1 . LEU 79 79 51010 1 . ALA 80 80 51010 1 . THR 81 81 51010 1 . ASN 82 82 51010 1 . LEU 83 83 51010 1 . ASN 84 84 51010 1 . VAL 85 85 51010 1 . GLY 86 86 51010 1 . THR 87 87 51010 1 . SER 88 88 51010 1 . SER 89 89 51010 1 . SER 90 90 51010 1 . ALA 91 91 51010 1 . ALA 92 92 51010 1 . SER 93 93 51010 1 . SER 94 94 51010 1 . LEU 95 95 51010 1 . LYS 96 96 51010 1 . LYS 97 97 51010 1 . GLN 98 98 51010 1 . TYR 99 99 51010 1 . ILE 100 100 51010 1 . GLN 101 101 51010 1 . TYR 102 102 51010 1 . LEU 103 103 51010 1 . PHE 104 104 51010 1 . ALA 105 105 51010 1 . PHE 106 106 51010 1 . GLU 107 107 51010 1 . CYS 108 108 51010 1 . LYS 109 109 51010 1 . ILE 110 110 51010 1 . GLU 111 111 51010 1 . ARG 112 112 51010 1 . GLY 113 113 51010 1 . GLU 114 114 51010 1 . GLU 115 115 51010 1 . PRO 116 116 51010 1 . PRO 117 117 51010 1 . PRO 118 118 51010 1 . GLU 119 119 51010 1 . VAL 120 120 51010 1 . PHE 121 121 51010 1 . SER 122 122 51010 1 . THR 123 123 51010 1 . GLY 124 124 51010 1 . ASP 125 125 51010 1 . THR 126 126 51010 1 . LEU 127 127 51010 1 . GLU 128 128 51010 1 . HIS 129 129 51010 1 . HIS 130 130 51010 1 . HIS 131 131 51010 1 . HIS 132 132 51010 1 . HIS 133 133 51010 1 . HIS 134 134 51010 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51010 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . ARID1B . 51010 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51010 _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' . . . Escherichia coli . . . plasmid . . pET28a . . . 51010 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51010 _Sample.ID 1 _Sample.Name Sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6 +- 0.1 mM; D2O, [U-2H], 10 +- 0.1 %; sodium phosphate 50 +- 0.1 mM; H2O 90 +- 0.1 %' _Sample.Aggregate_sample_number 1 _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 BAF250b_ARID '[U-99% 15N]' . . 1 $entity_1 . . 0.6 . . mM 0.1 . . . 51010 1 2 NaH2PO4 'natural abundance' . . . . . . 50 . . mM 0.1 . . . 51010 1 3 EDTA 'natural abundance' . . . . . . 25 . . uM . . . . 51010 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51010 _Sample.ID 2 _Sample.Name Sample_2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6 +- 0.1 mM; D2O, [U-2H], 10 +- 0.1 %; sodium phosphate 50 +- 0.1 mM; H2O 90 +- 0.1 %' _Sample.Aggregate_sample_number 2 _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 BAF250b_ARID '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.6 . . mM 0.1 . . . 51010 2 2 NaH2PO4 'natural abundance' . . . . . . 50 . . mM 0.1 . . . 51010 2 3 EDTA 'natural abundance' . . . . . . 25 . . uM . . . . 51010 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51010 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_1 _Sample_condition_list.Details '50 mM NaH2PO4 (pH 6), 25 uM EDTA' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 51010 1 pressure 1 . atm 51010 1 temperature 298 . K 51010 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51010 _Software.ID 1 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details Varian loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51010 1 'data analysis' . 51010 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51010 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51010 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51010 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details 'Woonghee Lee' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51010 3 'chemical shift calculation' . 51010 3 'data analysis' . 51010 3 'peak picking' . 51010 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51010 _Software.ID 4 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details 'Cornilescu, Delaglio and Bax' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51010 4 'dihedral angles' . 51010 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 51010 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Agilent DRX 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51010 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51010 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51010 1 3 '3D CBCANH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51010 1 4 '3D C(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51010 1 5 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51010 1 6 '3D HNCACO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51010 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51010 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51010 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 51010 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chemical_shift_reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.25 . . . . . 51010 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 51010 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.10 . . . . . 51010 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 51010 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 51010 1 2 '3D CBCA(CO)NH' . . . 51010 1 3 '3D CBCANH' . . . 51010 1 4 '3D C(CO)NH' . . . 51010 1 5 '3D HNCO' . . . 51010 1 6 '3D HNCACO' . . . 51010 1 7 '3D HBHA(CO)NH' . . . 51010 1 8 '3D H(CCO)NH' . . . 51010 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51010 1 2 $software_2 . . 51010 1 3 $software_3 . . 51010 1 4 $software_4 . . 51010 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 4.553 0.03 . 1 . . . . . 1 MET HA . 51010 1 2 . 1 . 1 1 1 MET HE1 H 1 1.750 0.02 . 1 . . . . . 1 MET HE . 51010 1 3 . 1 . 1 1 1 MET HE2 H 1 1.750 0.02 . 1 . . . . . 1 MET HE . 51010 1 4 . 1 . 1 1 1 MET HE3 H 1 1.750 0.02 . 1 . . . . . 1 MET HE . 51010 1 5 . 1 . 1 1 1 MET C C 13 176.852 0.00 . 1 . . . . . 1 MET C . 51010 1 6 . 1 . 1 1 1 MET CA C 13 55.575 0.00 . 1 . . . . . 1 MET CA . 51010 1 7 . 1 . 1 1 1 MET CB C 13 31.481 0.00 . 1 . . . . . 1 MET CB . 51010 1 8 . 1 . 1 2 2 GLY H H 1 7.653 0.01 . 1 . . . . . 2 GLY H . 51010 1 9 . 1 . 1 2 2 GLY C C 13 174.564 0.00 . 1 . . . . . 2 GLY C . 51010 1 10 . 1 . 1 2 2 GLY CA C 13 46.507 0.00 . 1 . . . . . 2 GLY CA . 51010 1 11 . 1 . 1 2 2 GLY N N 15 109.645 0.16 . 1 . . . . . 2 GLY N . 51010 1 12 . 1 . 1 3 3 SER HA H 1 4.517 0.03 . 1 . . . . . 3 SER HA . 51010 1 13 . 1 . 1 3 3 SER HB2 H 1 3.967 0.10 . 2 . . . . . 3 SER HB2 . 51010 1 14 . 1 . 1 3 3 SER HB3 H 1 3.842 0.01 . 2 . . . . . 3 SER HB3 . 51010 1 15 . 1 . 1 3 3 SER C C 13 174.714 0.00 . 1 . . . . . 3 SER C . 51010 1 16 . 1 . 1 3 3 SER CA C 13 58.118 0.22 . 1 . . . . . 3 SER CA . 51010 1 17 . 1 . 1 3 3 SER CB C 13 63.658 0.34 . 1 . . . . . 3 SER CB . 51010 1 18 . 1 . 1 4 4 SER H H 1 8.612 0.01 . 1 . . . . . 4 SER H . 51010 1 19 . 1 . 1 4 4 SER HA H 1 4.520 0.03 . 1 . . . . . 4 SER HA . 51010 1 20 . 1 . 1 4 4 SER HB2 H 1 3.990 0.08 . 2 . . . . . 4 SER HB2 . 51010 1 21 . 1 . 1 4 4 SER HB3 H 1 3.864 0.02 . 2 . . . . . 4 SER HB3 . 51010 1 22 . 1 . 1 4 4 SER C C 13 176.391 2.08 . 1 . . . . . 4 SER C . 51010 1 23 . 1 . 1 4 4 SER CA C 13 58.396 0.22 . 1 . . . . . 4 SER CA . 51010 1 24 . 1 . 1 4 4 SER CB C 13 63.562 0.29 . 1 . . . . . 4 SER CB . 51010 1 25 . 1 . 1 4 4 SER N N 15 118.064 0.14 . 1 . . . . . 4 SER N . 51010 1 26 . 1 . 1 5 5 THR H H 1 8.274 0.00 . 1 . . . . . 5 THR H . 51010 1 27 . 1 . 1 5 5 THR HA H 1 4.415 0.03 . 1 . . . . . 5 THR HA . 51010 1 28 . 1 . 1 5 5 THR HB H 1 4.274 0.01 . 1 . . . . . 5 THR HB . 51010 1 29 . 1 . 1 5 5 THR HG21 H 1 1.215 0.01 . 1 . . . . . 5 THR HG2 . 51010 1 30 . 1 . 1 5 5 THR HG22 H 1 1.215 0.01 . 1 . . . . . 5 THR HG2 . 51010 1 31 . 1 . 1 5 5 THR HG23 H 1 1.215 0.01 . 1 . . . . . 5 THR HG2 . 51010 1 32 . 1 . 1 5 5 THR C C 13 174.934 0.11 . 1 . . . . . 5 THR C . 51010 1 33 . 1 . 1 5 5 THR CA C 13 61.574 0.22 . 1 . . . . . 5 THR CA . 51010 1 34 . 1 . 1 5 5 THR CB C 13 69.424 0.49 . 1 . . . . . 5 THR CB . 51010 1 35 . 1 . 1 5 5 THR CG2 C 13 21.485 0.00 . 2 . . . . . 5 THR CG2 . 51010 1 36 . 1 . 1 5 5 THR N N 15 115.263 0.08 . 1 . . . . . 5 THR N . 51010 1 37 . 1 . 1 6 6 THR H H 1 8.204 0.00 . 1 . . . . . 6 THR H . 51010 1 38 . 1 . 1 6 6 THR HA H 1 4.493 0.03 . 1 . . . . . 6 THR HA . 51010 1 39 . 1 . 1 6 6 THR HB H 1 4.213 0.02 . 1 . . . . . 6 THR HB . 51010 1 40 . 1 . 1 6 6 THR HG21 H 1 1.183 0.02 . 1 . . . . . 6 THR HG2 . 51010 1 41 . 1 . 1 6 6 THR HG22 H 1 1.183 0.02 . 1 . . . . . 6 THR HG2 . 51010 1 42 . 1 . 1 6 6 THR HG23 H 1 1.183 0.02 . 1 . . . . . 6 THR HG2 . 51010 1 43 . 1 . 1 6 6 THR C C 13 174.734 0.10 . 1 . . . . . 6 THR C . 51010 1 44 . 1 . 1 6 6 THR CA C 13 61.457 0.29 . 1 . . . . . 6 THR CA . 51010 1 45 . 1 . 1 6 6 THR CB C 13 69.669 0.43 . 1 . . . . . 6 THR CB . 51010 1 46 . 1 . 1 6 6 THR CG2 C 13 21.069 0.00 . 2 . . . . . 6 THR CG2 . 51010 1 47 . 1 . 1 6 6 THR N N 15 116.370 0.07 . 1 . . . . . 6 THR N . 51010 1 48 . 1 . 1 7 7 THR H H 1 8.182 0.00 . 1 . . . . . 7 THR H . 51010 1 49 . 1 . 1 7 7 THR HA H 1 3.958 0.02 . 1 . . . . . 7 THR HA . 51010 1 50 . 1 . 1 7 7 THR HB H 1 3.656 0.00 . 1 . . . . . 7 THR HB . 51010 1 51 . 1 . 1 7 7 THR HG21 H 1 1.185 0.02 . 2 . . . . . 7 THR HG2 . 51010 1 52 . 1 . 1 7 7 THR HG22 H 1 1.185 0.02 . 2 . . . . . 7 THR HG2 . 51010 1 53 . 1 . 1 7 7 THR HG23 H 1 1.185 0.02 . 2 . . . . . 7 THR HG2 . 51010 1 54 . 1 . 1 7 7 THR C C 13 175.201 0.08 . 1 . . . . . 7 THR C . 51010 1 55 . 1 . 1 7 7 THR CA C 13 61.814 0.29 . 1 . . . . . 7 THR CA . 51010 1 56 . 1 . 1 7 7 THR CB C 13 69.899 0.06 . 1 . . . . . 7 THR CB . 51010 1 57 . 1 . 1 7 7 THR CG2 C 13 21.405 0.00 . 2 . . . . . 7 THR CG2 . 51010 1 58 . 1 . 1 7 7 THR N N 15 115.207 0.18 . 1 . . . . . 7 THR N . 51010 1 59 . 1 . 1 8 8 GLY H H 1 8.322 0.01 . 1 . . . . . 8 GLY H . 51010 1 60 . 1 . 1 8 8 GLY HA2 H 1 3.958 0.01 . 2 . . . . . 8 GLY HA2 . 51010 1 61 . 1 . 1 8 8 GLY HA3 H 1 3.823 0.15 . 2 . . . . . 8 GLY HA3 . 51010 1 62 . 1 . 1 8 8 GLY C C 13 174.084 0.08 . 1 . . . . . 8 GLY C . 51010 1 63 . 1 . 1 8 8 GLY CA C 13 44.974 0.22 . 1 . . . . . 8 GLY CA . 51010 1 64 . 1 . 1 8 8 GLY N N 15 110.670 0.10 . 1 . . . . . 8 GLY N . 51010 1 65 . 1 . 1 9 9 GLU H H 1 8.544 0.01 . 1 . . . . . 9 GLU H . 51010 1 66 . 1 . 1 9 9 GLU HA H 1 4.396 0.03 . 1 . . . . . 9 GLU HA . 51010 1 67 . 1 . 1 9 9 GLU HB2 H 1 2.191 0.09 . 2 . . . . . 9 GLU HB2 . 51010 1 68 . 1 . 1 9 9 GLU HB3 H 1 2.125 0.18 . 2 . . . . . 9 GLU HB3 . 51010 1 69 . 1 . 1 9 9 GLU HG2 H 1 2.273 0.00 . 2 . . . . . 9 GLU HG2 . 51010 1 70 . 1 . 1 9 9 GLU HG3 H 1 2.273 0.00 . 2 . . . . . 9 GLU HG3 . 51010 1 71 . 1 . 1 9 9 GLU C C 13 176.679 0.09 . 1 . . . . . 9 GLU C . 51010 1 72 . 1 . 1 9 9 GLU CA C 13 55.270 0.18 . 1 . . . . . 9 GLU CA . 51010 1 73 . 1 . 1 9 9 GLU CB C 13 30.796 0.03 . 1 . . . . . 9 GLU CB . 51010 1 74 . 1 . 1 9 9 GLU CG C 13 35.736 0.00 . 1 . . . . . 9 GLU CG . 51010 1 75 . 1 . 1 9 9 GLU N N 15 120.651 0.13 . 1 . . . . . 9 GLU N . 51010 1 76 . 1 . 1 10 10 LYS H H 1 8.930 0.01 . 1 . . . . . 10 LYS H . 51010 1 77 . 1 . 1 10 10 LYS HA H 1 4.423 0.03 . 1 . . . . . 10 LYS HA . 51010 1 78 . 1 . 1 10 10 LYS HB2 H 1 2.038 0.01 . 2 . . . . . 10 LYS HB2 . 51010 1 79 . 1 . 1 10 10 LYS HB3 H 1 2.005 0.07 . 2 . . . . . 10 LYS HB3 . 51010 1 80 . 1 . 1 10 10 LYS HD2 H 1 1.739 0.02 . 2 . . . . . 10 LYS HD2 . 51010 1 81 . 1 . 1 10 10 LYS HD3 H 1 1.739 0.02 . 2 . . . . . 10 LYS HD3 . 51010 1 82 . 1 . 1 10 10 LYS HE2 H 1 2.714 0.02 . 2 . . . . . 10 LYS HE2 . 51010 1 83 . 1 . 1 10 10 LYS HE3 H 1 2.714 0.02 . 2 . . . . . 10 LYS HE3 . 51010 1 84 . 1 . 1 10 10 LYS C C 13 178.605 0.10 . 1 . . . . . 10 LYS C . 51010 1 85 . 1 . 1 10 10 LYS CA C 13 56.803 0.20 . 1 . . . . . 10 LYS CA . 51010 1 86 . 1 . 1 10 10 LYS CB C 13 33.686 0.06 . 1 . . . . . 10 LYS CB . 51010 1 87 . 1 . 1 10 10 LYS CG C 13 26.989 0.00 . 1 . . . . . 10 LYS CG . 51010 1 88 . 1 . 1 10 10 LYS CD C 13 29.267 0.00 . 1 . . . . . 10 LYS CD . 51010 1 89 . 1 . 1 10 10 LYS N N 15 123.155 0.10 . 1 . . . . . 10 LYS N . 51010 1 90 . 1 . 1 11 11 ILE H H 1 7.990 0.00 . 1 . . . . . 11 ILE H . 51010 1 91 . 1 . 1 11 11 ILE HA H 1 4.030 0.02 . 1 . . . . . 11 ILE HA . 51010 1 92 . 1 . 1 11 11 ILE HB H 1 1.399 0.04 . 1 . . . . . 11 ILE HB . 51010 1 93 . 1 . 1 11 11 ILE HG12 H 1 1.093 0.01 . 2 . . . . . 11 ILE HG12 . 51010 1 94 . 1 . 1 11 11 ILE HG13 H 1 1.093 0.01 . 2 . . . . . 11 ILE HG13 . 51010 1 95 . 1 . 1 11 11 ILE C C 13 175.016 0.13 . 1 . . . . . 11 ILE C . 51010 1 96 . 1 . 1 11 11 ILE CA C 13 60.156 0.17 . 1 . . . . . 11 ILE CA . 51010 1 97 . 1 . 1 11 11 ILE CB C 13 38.355 0.10 . 1 . . . . . 11 ILE CB . 51010 1 98 . 1 . 1 11 11 ILE CG2 C 13 18.547 0.00 . 2 . . . . . 11 ILE CG2 . 51010 1 99 . 1 . 1 11 11 ILE N N 15 120.285 0.11 . 1 . . . . . 11 ILE N . 51010 1 100 . 1 . 1 12 12 THR H H 1 7.180 0.00 . 1 . . . . . 12 THR H . 51010 1 101 . 1 . 1 12 12 THR HA H 1 4.473 0.01 . 1 . . . . . 12 THR HA . 51010 1 102 . 1 . 1 12 12 THR HB H 1 4.017 0.02 . 1 . . . . . 12 THR HB . 51010 1 103 . 1 . 1 12 12 THR HG21 H 1 1.452 0.01 . 1 . . . . . 12 THR HG2 . 51010 1 104 . 1 . 1 12 12 THR HG22 H 1 1.452 0.01 . 1 . . . . . 12 THR HG2 . 51010 1 105 . 1 . 1 12 12 THR HG23 H 1 1.452 0.01 . 1 . . . . . 12 THR HG2 . 51010 1 106 . 1 . 1 12 12 THR C C 13 176.379 0.06 . 1 . . . . . 12 THR C . 51010 1 107 . 1 . 1 12 12 THR CA C 13 63.649 0.28 . 1 . . . . . 12 THR CA . 51010 1 108 . 1 . 1 12 12 THR CB C 13 67.991 0.02 . 1 . . . . . 12 THR CB . 51010 1 109 . 1 . 1 12 12 THR CG2 C 13 23.093 0.00 . 2 . . . . . 12 THR CG2 . 51010 1 110 . 1 . 1 12 12 THR N N 15 110.118 0.15 . 1 . . . . . 12 THR N . 51010 1 111 . 1 . 1 13 13 LYS H H 1 8.177 0.00 . 1 . . . . . 13 LYS H . 51010 1 112 . 1 . 1 13 13 LYS HA H 1 4.225 0.08 . 1 . . . . . 13 LYS HA . 51010 1 113 . 1 . 1 13 13 LYS HB2 H 1 1.992 0.07 . 2 . . . . . 13 LYS HB2 . 51010 1 114 . 1 . 1 13 13 LYS HB3 H 1 1.962 0.07 . 2 . . . . . 13 LYS HB3 . 51010 1 115 . 1 . 1 13 13 LYS HG2 H 1 1.548 0.00 . 2 . . . . . 13 LYS HG2 . 51010 1 116 . 1 . 1 13 13 LYS HG3 H 1 1.548 0.00 . 2 . . . . . 13 LYS HG3 . 51010 1 117 . 1 . 1 13 13 LYS HD2 H 1 1.723 0.03 . 2 . . . . . 13 LYS HD2 . 51010 1 118 . 1 . 1 13 13 LYS HD3 H 1 1.720 0.03 . 2 . . . . . 13 LYS HD3 . 51010 1 119 . 1 . 1 13 13 LYS HE2 H 1 2.862 0.01 . 2 . . . . . 13 LYS HE2 . 51010 1 120 . 1 . 1 13 13 LYS HE3 H 1 2.862 0.01 . 2 . . . . . 13 LYS HE3 . 51010 1 121 . 1 . 1 13 13 LYS C C 13 178.783 0.09 . 1 . . . . . 13 LYS C . 51010 1 122 . 1 . 1 13 13 LYS CA C 13 57.629 0.22 . 1 . . . . . 13 LYS CA . 51010 1 123 . 1 . 1 13 13 LYS CB C 13 32.315 0.06 . 1 . . . . . 13 LYS CB . 51010 1 124 . 1 . 1 13 13 LYS CD C 13 28.524 0.00 . 1 . . . . . 13 LYS CD . 51010 1 125 . 1 . 1 13 13 LYS CE C 13 41.464 0.00 . 1 . . . . . 13 LYS CE . 51010 1 126 . 1 . 1 13 13 LYS N N 15 123.820 0.10 . 1 . . . . . 13 LYS N . 51010 1 127 . 1 . 1 14 14 VAL H H 1 8.472 0.01 . 1 . . . . . 14 VAL H . 51010 1 128 . 1 . 1 14 14 VAL HA H 1 3.868 0.03 . 1 . . . . . 14 VAL HA . 51010 1 129 . 1 . 1 14 14 VAL HB H 1 2.200 0.03 . 1 . . . . . 14 VAL HB . 51010 1 130 . 1 . 1 14 14 VAL HG11 H 1 1.220 0.01 . 2 . . . . . 14 VAL HG1 . 51010 1 131 . 1 . 1 14 14 VAL HG12 H 1 1.220 0.01 . 2 . . . . . 14 VAL HG1 . 51010 1 132 . 1 . 1 14 14 VAL HG13 H 1 1.220 0.01 . 2 . . . . . 14 VAL HG1 . 51010 1 133 . 1 . 1 14 14 VAL HG21 H 1 0.928 0.01 . 2 . . . . . 14 VAL HG2 . 51010 1 134 . 1 . 1 14 14 VAL HG22 H 1 0.928 0.01 . 2 . . . . . 14 VAL HG2 . 51010 1 135 . 1 . 1 14 14 VAL HG23 H 1 0.928 0.01 . 2 . . . . . 14 VAL HG2 . 51010 1 136 . 1 . 1 14 14 VAL C C 13 177.038 0.09 . 1 . . . . . 14 VAL C . 51010 1 137 . 1 . 1 14 14 VAL CA C 13 64.511 0.35 . 1 . . . . . 14 VAL CA . 51010 1 138 . 1 . 1 14 14 VAL CB C 13 32.135 0.09 . 1 . . . . . 14 VAL CB . 51010 1 139 . 1 . 1 14 14 VAL CG1 C 13 23.756 0.00 . 2 . . . . . 14 VAL CG1 . 51010 1 140 . 1 . 1 14 14 VAL CG2 C 13 22.467 0.00 . 2 . . . . . 14 VAL CG2 . 51010 1 141 . 1 . 1 14 14 VAL N N 15 117.497 0.09 . 1 . . . . . 14 VAL N . 51010 1 142 . 1 . 1 15 15 TYR H H 1 7.638 0.00 . 1 . . . . . 15 TYR H . 51010 1 143 . 1 . 1 15 15 TYR HA H 1 4.036 0.01 . 1 . . . . . 15 TYR HA . 51010 1 144 . 1 . 1 15 15 TYR HB2 H 1 3.129 0.02 . 2 . . . . . 15 TYR HB2 . 51010 1 145 . 1 . 1 15 15 TYR HB3 H 1 3.129 0.02 . 2 . . . . . 15 TYR HB3 . 51010 1 146 . 1 . 1 15 15 TYR C C 13 176.587 0.12 . 1 . . . . . 15 TYR C . 51010 1 147 . 1 . 1 15 15 TYR CA C 13 62.284 0.01 . 1 . . . . . 15 TYR CA . 51010 1 148 . 1 . 1 15 15 TYR CB C 13 38.612 0.18 . 1 . . . . . 15 TYR CB . 51010 1 149 . 1 . 1 15 15 TYR N N 15 118.766 0.10 . 1 . . . . . 15 TYR N . 51010 1 150 . 1 . 1 16 16 GLU H H 1 7.738 0.00 . 1 . . . . . 16 GLU H . 51010 1 151 . 1 . 1 16 16 GLU HA H 1 4.551 0.02 . 1 . . . . . 16 GLU HA . 51010 1 152 . 1 . 1 16 16 GLU HB2 H 1 2.053 0.00 . 2 . . . . . 16 GLU HB2 . 51010 1 153 . 1 . 1 16 16 GLU HB3 H 1 2.053 0.00 . 2 . . . . . 16 GLU HB3 . 51010 1 154 . 1 . 1 16 16 GLU HG2 H 1 2.357 0.00 . 2 . . . . . 16 GLU HG2 . 51010 1 155 . 1 . 1 16 16 GLU HG3 H 1 2.357 0.00 . 2 . . . . . 16 GLU HG3 . 51010 1 156 . 1 . 1 16 16 GLU C C 13 177.740 0.06 . 1 . . . . . 16 GLU C . 51010 1 157 . 1 . 1 16 16 GLU CA C 13 55.666 0.09 . 1 . . . . . 16 GLU CA . 51010 1 158 . 1 . 1 16 16 GLU CB C 13 30.829 0.00 . 1 . . . . . 16 GLU CB . 51010 1 159 . 1 . 1 16 16 GLU CG C 13 35.956 0.00 . 1 . . . . . 16 GLU CG . 51010 1 160 . 1 . 1 16 16 GLU N N 15 112.943 0.09 . 1 . . . . . 16 GLU N . 51010 1 161 . 1 . 1 17 17 LEU H H 1 6.877 0.01 . 1 . . . . . 17 LEU H . 51010 1 162 . 1 . 1 17 17 LEU HA H 1 4.154 0.02 . 1 . . . . . 17 LEU HA . 51010 1 163 . 1 . 1 17 17 LEU HB2 H 1 1.742 0.01 . 1 . . . . . 17 LEU HB2 . 51010 1 164 . 1 . 1 17 17 LEU HB3 H 1 1.734 0.00 . 2 . . . . . 17 LEU HB3 . 51010 1 165 . 1 . 1 17 17 LEU C C 13 175.579 0.03 . 1 . . . . . 17 LEU C . 51010 1 166 . 1 . 1 17 17 LEU CA C 13 56.189 0.06 . 1 . . . . . 17 LEU CA . 51010 1 167 . 1 . 1 17 17 LEU CB C 13 41.801 0.17 . 1 . . . . . 17 LEU CB . 51010 1 168 . 1 . 1 17 17 LEU CG C 13 27.095 0.00 . 1 . . . . . 17 LEU CG . 51010 1 169 . 1 . 1 17 17 LEU CD1 C 13 25.494 0.00 . 1 . . . . . 17 LEU CD1 . 51010 1 170 . 1 . 1 17 17 LEU CD2 C 13 25.494 0.00 . 1 . . . . . 17 LEU CD2 . 51010 1 171 . 1 . 1 17 17 LEU N N 15 116.795 0.15 . 1 . . . . . 17 LEU N . 51010 1 172 . 1 . 1 18 18 GLY H H 1 7.082 0.00 . 1 . . . . . 18 GLY H . 51010 1 173 . 1 . 1 18 18 GLY HA2 H 1 4.039 0.13 . 2 . . . . . 18 GLY HA2 . 51010 1 174 . 1 . 1 18 18 GLY HA3 H 1 4.039 0.13 . 2 . . . . . 18 GLY HA3 . 51010 1 175 . 1 . 1 18 18 GLY C C 13 172.192 0.09 . 1 . . . . . 18 GLY C . 51010 1 176 . 1 . 1 18 18 GLY CA C 13 45.171 0.15 . 1 . . . . . 18 GLY CA . 51010 1 177 . 1 . 1 18 18 GLY N N 15 103.174 0.22 . 1 . . . . . 18 GLY N . 51010 1 178 . 1 . 1 19 19 ASN H H 1 8.479 0.01 . 1 . . . . . 19 ASN H . 51010 1 179 . 1 . 1 19 19 ASN HA H 1 4.972 0.02 . 1 . . . . . 19 ASN HA . 51010 1 180 . 1 . 1 19 19 ASN HB2 H 1 2.902 0.10 . 2 . . . . . 19 ASN HB2 . 51010 1 181 . 1 . 1 19 19 ASN HB3 H 1 2.798 0.01 . 2 . . . . . 19 ASN HB3 . 51010 1 182 . 1 . 1 19 19 ASN C C 13 175.938 0.08 . 1 . . . . . 19 ASN C . 51010 1 183 . 1 . 1 19 19 ASN CA C 13 52.577 1.52 . 1 . . . . . 19 ASN CA . 51010 1 184 . 1 . 1 19 19 ASN CB C 13 38.530 0.72 . 1 . . . . . 19 ASN CB . 51010 1 185 . 1 . 1 19 19 ASN N N 15 117.304 0.16 . 1 . . . . . 19 ASN N . 51010 1 186 . 1 . 1 20 20 GLU H H 1 10.467 0.74 . 1 . . . . . 20 GLU H . 51010 1 187 . 1 . 1 20 20 GLU C C 13 177.552 0.00 . 1 . . . . . 20 GLU C . 51010 1 188 . 1 . 1 20 20 GLU CA C 13 56.363 0.00 . 1 . . . . . 20 GLU CA . 51010 1 189 . 1 . 1 20 20 GLU CB C 13 27.351 0.00 . 1 . . . . . 20 GLU CB . 51010 1 190 . 1 . 1 20 20 GLU N N 15 125.602 1.26 . 1 . . . . . 20 GLU N . 51010 1 191 . 1 . 1 21 21 PRO HA H 1 4.270 0.02 . 1 . . . . . 21 PRO HA . 51010 1 192 . 1 . 1 21 21 PRO HB2 H 1 2.078 0.08 . 2 . . . . . 21 PRO HB2 . 51010 1 193 . 1 . 1 21 21 PRO HB3 H 1 2.044 0.06 . 2 . . . . . 21 PRO HB3 . 51010 1 194 . 1 . 1 21 21 PRO C C 13 178.363 0.12 . 1 . . . . . 21 PRO C . 51010 1 195 . 1 . 1 21 21 PRO CA C 13 65.085 0.29 . 1 . . . . . 21 PRO CA . 51010 1 196 . 1 . 1 21 21 PRO CB C 13 31.883 0.07 . 1 . . . . . 21 PRO CB . 51010 1 197 . 1 . 1 21 21 PRO CG C 13 28.068 0.00 . 1 . . . . . 21 PRO CG . 51010 1 198 . 1 . 1 22 22 GLU H H 1 9.081 0.00 . 1 . . . . . 22 GLU H . 51010 1 199 . 1 . 1 22 22 GLU HA H 1 4.184 0.03 . 1 . . . . . 22 GLU HA . 51010 1 200 . 1 . 1 22 22 GLU HB2 H 1 2.194 0.00 . 2 . . . . . 22 GLU HB2 . 51010 1 201 . 1 . 1 22 22 GLU HB3 H 1 2.194 0.00 . 2 . . . . . 22 GLU HB3 . 51010 1 202 . 1 . 1 22 22 GLU HG2 H 1 2.458 0.01 . 2 . . . . . 22 GLU HG2 . 51010 1 203 . 1 . 1 22 22 GLU HG3 H 1 2.450 0.02 . 2 . . . . . 22 GLU HG3 . 51010 1 204 . 1 . 1 22 22 GLU C C 13 177.032 0.10 . 1 . . . . . 22 GLU C . 51010 1 205 . 1 . 1 22 22 GLU CA C 13 57.889 0.25 . 1 . . . . . 22 GLU CA . 51010 1 206 . 1 . 1 22 22 GLU CB C 13 29.565 0.04 . 1 . . . . . 22 GLU CB . 51010 1 207 . 1 . 1 22 22 GLU CG C 13 36.581 0.00 . 1 . . . . . 22 GLU CG . 51010 1 208 . 1 . 1 22 22 GLU N N 15 114.186 0.07 . 1 . . . . . 22 GLU N . 51010 1 209 . 1 . 1 23 23 ARG H H 1 7.321 0.00 . 1 . . . . . 23 ARG H . 51010 1 210 . 1 . 1 23 23 ARG HA H 1 4.641 0.02 . 1 . . . . . 23 ARG HA . 51010 1 211 . 1 . 1 23 23 ARG HB2 H 1 1.633 0.10 . 2 . . . . . 23 ARG HB2 . 51010 1 212 . 1 . 1 23 23 ARG HB3 H 1 1.633 0.10 . 2 . . . . . 23 ARG HB3 . 51010 1 213 . 1 . 1 23 23 ARG HG2 H 1 1.099 0.01 . 2 . . . . . 23 ARG HG2 . 51010 1 214 . 1 . 1 23 23 ARG HG3 H 1 1.076 0.04 . 2 . . . . . 23 ARG HG3 . 51010 1 215 . 1 . 1 23 23 ARG HD2 H 1 3.848 0.02 . 2 . . . . . 23 ARG HD2 . 51010 1 216 . 1 . 1 23 23 ARG HD3 H 1 3.848 0.02 . 2 . . . . . 23 ARG HD3 . 51010 1 217 . 1 . 1 23 23 ARG C C 13 176.695 0.10 . 1 . . . . . 23 ARG C . 51010 1 218 . 1 . 1 23 23 ARG CA C 13 59.455 0.30 . 1 . . . . . 23 ARG CA . 51010 1 219 . 1 . 1 23 23 ARG CB C 13 31.356 0.11 . 1 . . . . . 23 ARG CB . 51010 1 220 . 1 . 1 23 23 ARG CG C 13 27.936 0.00 . 1 . . . . . 23 ARG CG . 51010 1 221 . 1 . 1 23 23 ARG N N 15 119.835 0.09 . 1 . . . . . 23 ARG N . 51010 1 222 . 1 . 1 24 24 LYS H H 1 8.009 0.01 . 1 . . . . . 24 LYS H . 51010 1 223 . 1 . 1 24 24 LYS HA H 1 3.933 0.02 . 1 . . . . . 24 LYS HA . 51010 1 224 . 1 . 1 24 24 LYS HB2 H 1 1.940 0.14 . 2 . . . . . 24 LYS HB2 . 51010 1 225 . 1 . 1 24 24 LYS HB3 H 1 1.839 0.03 . 2 . . . . . 24 LYS HB3 . 51010 1 226 . 1 . 1 24 24 LYS HG2 H 1 1.577 0.01 . 2 . . . . . 24 LYS HG2 . 51010 1 227 . 1 . 1 24 24 LYS HG3 H 1 1.577 0.01 . 2 . . . . . 24 LYS HG3 . 51010 1 228 . 1 . 1 24 24 LYS HD2 H 1 1.711 0.02 . 2 . . . . . 24 LYS HD2 . 51010 1 229 . 1 . 1 24 24 LYS HD3 H 1 1.711 0.02 . 2 . . . . . 24 LYS HD3 . 51010 1 230 . 1 . 1 24 24 LYS HE2 H 1 3.000 0.02 . 2 . . . . . 24 LYS HE2 . 51010 1 231 . 1 . 1 24 24 LYS HE3 H 1 3.000 0.02 . 2 . . . . . 24 LYS HE3 . 51010 1 232 . 1 . 1 24 24 LYS C C 13 177.686 0.12 . 1 . . . . . 24 LYS C . 51010 1 233 . 1 . 1 24 24 LYS CA C 13 60.898 0.36 . 1 . . . . . 24 LYS CA . 51010 1 234 . 1 . 1 24 24 LYS CB C 13 32.343 0.02 . 1 . . . . . 24 LYS CB . 51010 1 235 . 1 . 1 24 24 LYS CD C 13 29.125 0.00 . 1 . . . . . 24 LYS CD . 51010 1 236 . 1 . 1 24 24 LYS N N 15 118.496 0.19 . 1 . . . . . 24 LYS N . 51010 1 237 . 1 . 1 25 25 LEU H H 1 7.778 0.01 . 1 . . . . . 25 LEU H . 51010 1 238 . 1 . 1 25 25 LEU HA H 1 4.049 0.10 . 1 . . . . . 25 LEU HA . 51010 1 239 . 1 . 1 25 25 LEU HB2 H 1 1.776 0.10 . 2 . . . . . 25 LEU HB2 . 51010 1 240 . 1 . 1 25 25 LEU HB3 H 1 1.693 0.02 . 2 . . . . . 25 LEU HB3 . 51010 1 241 . 1 . 1 25 25 LEU HG H 1 1.702 0.02 . 1 . . . . . 25 LEU HG . 51010 1 242 . 1 . 1 25 25 LEU HD11 H 1 0.998 0.00 . 1 . . . . . 25 LEU HD1 . 51010 1 243 . 1 . 1 25 25 LEU HD12 H 1 0.998 0.00 . 1 . . . . . 25 LEU HD1 . 51010 1 244 . 1 . 1 25 25 LEU HD13 H 1 0.998 0.00 . 1 . . . . . 25 LEU HD1 . 51010 1 245 . 1 . 1 25 25 LEU HD21 H 1 0.998 0.00 . 1 . . . . . 25 LEU HD2 . 51010 1 246 . 1 . 1 25 25 LEU HD22 H 1 0.998 0.00 . 1 . . . . . 25 LEU HD2 . 51010 1 247 . 1 . 1 25 25 LEU HD23 H 1 0.998 0.00 . 1 . . . . . 25 LEU HD2 . 51010 1 248 . 1 . 1 25 25 LEU C C 13 179.520 0.11 . 1 . . . . . 25 LEU C . 51010 1 249 . 1 . 1 25 25 LEU CA C 13 57.242 0.20 . 1 . . . . . 25 LEU CA . 51010 1 250 . 1 . 1 25 25 LEU CB C 13 41.794 0.17 . 1 . . . . . 25 LEU CB . 51010 1 251 . 1 . 1 25 25 LEU CD1 C 13 24.531 0.00 . 1 . . . . . 25 LEU CD1 . 51010 1 252 . 1 . 1 25 25 LEU CD2 C 13 24.531 0.00 . 1 . . . . . 25 LEU CD2 . 51010 1 253 . 1 . 1 25 25 LEU N N 15 115.812 0.08 . 1 . . . . . 25 LEU N . 51010 1 254 . 1 . 1 26 26 TRP H H 1 7.904 0.01 . 1 . . . . . 26 TRP H . 51010 1 255 . 1 . 1 26 26 TRP HA H 1 3.954 0.03 . 1 . . . . . 26 TRP HA . 51010 1 256 . 1 . 1 26 26 TRP HB2 H 1 3.405 0.01 . 2 . . . . . 26 TRP HB2 . 51010 1 257 . 1 . 1 26 26 TRP HB3 H 1 3.405 0.01 . 2 . . . . . 26 TRP HB3 . 51010 1 258 . 1 . 1 26 26 TRP HE1 H 1 10.576 0.00 . 2 . . . . . 26 TRP HE1 . 51010 1 259 . 1 . 1 26 26 TRP C C 13 177.940 0.15 . 1 . . . . . 26 TRP C . 51010 1 260 . 1 . 1 26 26 TRP CA C 13 62.864 0.02 . 1 . . . . . 26 TRP CA . 51010 1 261 . 1 . 1 26 26 TRP CB C 13 30.224 0.11 . 1 . . . . . 26 TRP CB . 51010 1 262 . 1 . 1 26 26 TRP N N 15 119.605 0.15 . 1 . . . . . 26 TRP N . 51010 1 263 . 1 . 1 26 26 TRP NE1 N 15 129.536 0.00 . 1 . . . . . 26 TRP NE1 . 51010 1 264 . 1 . 1 27 27 VAL H H 1 8.942 0.00 . 1 . . . . . 27 VAL H . 51010 1 265 . 1 . 1 27 27 VAL HA H 1 3.311 0.02 . 1 . . . . . 27 VAL HA . 51010 1 266 . 1 . 1 27 27 VAL HB H 1 1.950 0.01 . 1 . . . . . 27 VAL HB . 51010 1 267 . 1 . 1 27 27 VAL C C 13 177.724 0.12 . 1 . . . . . 27 VAL C . 51010 1 268 . 1 . 1 27 27 VAL CA C 13 67.071 0.06 . 1 . . . . . 27 VAL CA . 51010 1 269 . 1 . 1 27 27 VAL CB C 13 31.607 0.02 . 1 . . . . . 27 VAL CB . 51010 1 270 . 1 . 1 27 27 VAL CG1 C 13 21.942 0.00 . 2 . . . . . 27 VAL CG1 . 51010 1 271 . 1 . 1 27 27 VAL CG2 C 13 21.942 0.00 . 2 . . . . . 27 VAL CG2 . 51010 1 272 . 1 . 1 27 27 VAL N N 15 118.729 0.07 . 1 . . . . . 27 VAL N . 51010 1 273 . 1 . 1 28 28 ASP H H 1 8.602 0.00 . 1 . . . . . 28 ASP H . 51010 1 274 . 1 . 1 28 28 ASP HA H 1 4.250 0.02 . 1 . . . . . 28 ASP HA . 51010 1 275 . 1 . 1 28 28 ASP HB2 H 1 2.884 0.01 . 2 . . . . . 28 ASP HB2 . 51010 1 276 . 1 . 1 28 28 ASP HB3 H 1 2.704 0.01 . 2 . . . . . 28 ASP HB3 . 51010 1 277 . 1 . 1 28 28 ASP C C 13 179.241 0.09 . 1 . . . . . 28 ASP C . 51010 1 278 . 1 . 1 28 28 ASP CA C 13 57.789 0.06 . 1 . . . . . 28 ASP CA . 51010 1 279 . 1 . 1 28 28 ASP CB C 13 40.188 0.18 . 1 . . . . . 28 ASP CB . 51010 1 280 . 1 . 1 28 28 ASP N N 15 118.435 0.16 . 1 . . . . . 28 ASP N . 51010 1 281 . 1 . 1 29 29 ARG H H 1 7.663 0.00 . 1 . . . . . 29 ARG H . 51010 1 282 . 1 . 1 29 29 ARG HA H 1 3.941 0.02 . 1 . . . . . 29 ARG HA . 51010 1 283 . 1 . 1 29 29 ARG HB2 H 1 1.819 0.03 . 2 . . . . . 29 ARG HB2 . 51010 1 284 . 1 . 1 29 29 ARG HB3 H 1 1.819 0.03 . 2 . . . . . 29 ARG HB3 . 51010 1 285 . 1 . 1 29 29 ARG HD2 H 1 3.130 0.01 . 2 . . . . . 29 ARG HD2 . 51010 1 286 . 1 . 1 29 29 ARG HD3 H 1 3.130 0.01 . 2 . . . . . 29 ARG HD3 . 51010 1 287 . 1 . 1 29 29 ARG C C 13 178.748 0.14 . 1 . . . . . 29 ARG C . 51010 1 288 . 1 . 1 29 29 ARG CA C 13 58.993 0.20 . 1 . . . . . 29 ARG CA . 51010 1 289 . 1 . 1 29 29 ARG CB C 13 30.505 0.10 . 1 . . . . . 29 ARG CB . 51010 1 290 . 1 . 1 29 29 ARG CG C 13 27.592 0.00 . 1 . . . . . 29 ARG CG . 51010 1 291 . 1 . 1 29 29 ARG CD C 13 43.397 0.00 . 1 . . . . . 29 ARG CD . 51010 1 292 . 1 . 1 29 29 ARG N N 15 119.564 0.09 . 1 . . . . . 29 ARG N . 51010 1 293 . 1 . 1 30 30 TYR H H 1 8.624 0.00 . 1 . . . . . 30 TYR H . 51010 1 294 . 1 . 1 30 30 TYR HA H 1 3.285 0.03 . 1 . . . . . 30 TYR HA . 51010 1 295 . 1 . 1 30 30 TYR HB2 H 1 1.957 0.02 . 2 . . . . . 30 TYR HB2 . 51010 1 296 . 1 . 1 30 30 TYR HB3 H 1 1.957 0.02 . 2 . . . . . 30 TYR HB3 . 51010 1 297 . 1 . 1 30 30 TYR C C 13 176.916 0.15 . 1 . . . . . 30 TYR C . 51010 1 298 . 1 . 1 30 30 TYR CA C 13 60.870 0.06 . 1 . . . . . 30 TYR CA . 51010 1 299 . 1 . 1 30 30 TYR CB C 13 37.670 0.23 . 1 . . . . . 30 TYR CB . 51010 1 300 . 1 . 1 30 30 TYR N N 15 123.738 0.10 . 1 . . . . . 30 TYR N . 51010 1 301 . 1 . 1 31 31 LEU H H 1 8.966 0.01 . 1 . . . . . 31 LEU H . 51010 1 302 . 1 . 1 31 31 LEU HA H 1 3.620 0.02 . 1 . . . . . 31 LEU HA . 51010 1 303 . 1 . 1 31 31 LEU HB2 H 1 1.898 0.02 . 2 . . . . . 31 LEU HB2 . 51010 1 304 . 1 . 1 31 31 LEU HB3 H 1 1.583 0.21 . 2 . . . . . 31 LEU HB3 . 51010 1 305 . 1 . 1 31 31 LEU HG H 1 1.433 0.01 . 1 . . . . . 31 LEU HG . 51010 1 306 . 1 . 1 31 31 LEU HD11 H 1 0.919 0.01 . 2 . . . . . 31 LEU HD1 . 51010 1 307 . 1 . 1 31 31 LEU HD12 H 1 0.919 0.01 . 2 . . . . . 31 LEU HD1 . 51010 1 308 . 1 . 1 31 31 LEU HD13 H 1 0.919 0.01 . 2 . . . . . 31 LEU HD1 . 51010 1 309 . 1 . 1 31 31 LEU HD21 H 1 0.919 0.01 . 2 . . . . . 31 LEU HD2 . 51010 1 310 . 1 . 1 31 31 LEU HD22 H 1 0.919 0.01 . 2 . . . . . 31 LEU HD2 . 51010 1 311 . 1 . 1 31 31 LEU HD23 H 1 0.919 0.01 . 2 . . . . . 31 LEU HD2 . 51010 1 312 . 1 . 1 31 31 LEU C C 13 181.230 0.09 . 1 . . . . . 31 LEU C . 51010 1 313 . 1 . 1 31 31 LEU CA C 13 58.009 0.02 . 1 . . . . . 31 LEU CA . 51010 1 314 . 1 . 1 31 31 LEU CB C 13 40.138 0.15 . 1 . . . . . 31 LEU CB . 51010 1 315 . 1 . 1 31 31 LEU CG C 13 26.132 0.00 . 1 . . . . . 31 LEU CG . 51010 1 316 . 1 . 1 31 31 LEU CD1 C 13 22.545 0.00 . 1 . . . . . 31 LEU CD1 . 51010 1 317 . 1 . 1 31 31 LEU CD2 C 13 22.545 0.00 . 1 . . . . . 31 LEU CD2 . 51010 1 318 . 1 . 1 31 31 LEU N N 15 118.085 0.07 . 1 . . . . . 31 LEU N . 51010 1 319 . 1 . 1 32 32 THR H H 1 7.549 0.00 . 1 . . . . . 32 THR H . 51010 1 320 . 1 . 1 32 32 THR HA H 1 3.933 0.01 . 1 . . . . . 32 THR HA . 51010 1 321 . 1 . 1 32 32 THR HB H 1 3.936 0.01 . 1 . . . . . 32 THR HB . 51010 1 322 . 1 . 1 32 32 THR C C 13 175.308 0.12 . 1 . . . . . 32 THR C . 51010 1 323 . 1 . 1 32 32 THR CA C 13 66.803 0.06 . 1 . . . . . 32 THR CA . 51010 1 324 . 1 . 1 32 32 THR CB C 13 68.659 0.09 . 1 . . . . . 32 THR CB . 51010 1 325 . 1 . 1 32 32 THR N N 15 115.911 0.07 . 1 . . . . . 32 THR N . 51010 1 326 . 1 . 1 33 33 PHE H H 1 7.983 0.00 . 1 . . . . . 33 PHE H . 51010 1 327 . 1 . 1 33 33 PHE HA H 1 4.143 0.02 . 1 . . . . . 33 PHE HA . 51010 1 328 . 1 . 1 33 33 PHE HB2 H 1 3.209 0.02 . 2 . . . . . 33 PHE HB2 . 51010 1 329 . 1 . 1 33 33 PHE HB3 H 1 3.209 0.02 . 2 . . . . . 33 PHE HB3 . 51010 1 330 . 1 . 1 33 33 PHE C C 13 177.520 0.02 . 1 . . . . . 33 PHE C . 51010 1 331 . 1 . 1 33 33 PHE CA C 13 61.098 0.01 . 1 . . . . . 33 PHE CA . 51010 1 332 . 1 . 1 33 33 PHE CB C 13 38.646 0.24 . 1 . . . . . 33 PHE CB . 51010 1 333 . 1 . 1 33 33 PHE N N 15 123.385 0.13 . 1 . . . . . 33 PHE N . 51010 1 334 . 1 . 1 34 34 MET H H 1 8.065 0.00 . 1 . . . . . 34 MET H . 51010 1 335 . 1 . 1 34 34 MET HA H 1 3.909 0.03 . 1 . . . . . 34 MET HA . 51010 1 336 . 1 . 1 34 34 MET HB2 H 1 1.857 0.21 . 2 . . . . . 34 MET HB2 . 51010 1 337 . 1 . 1 34 34 MET HB3 H 1 1.863 0.21 . 2 . . . . . 34 MET HB3 . 51010 1 338 . 1 . 1 34 34 MET HG2 H 1 2.105 0.00 . 2 . . . . . 34 MET HG2 . 51010 1 339 . 1 . 1 34 34 MET HG3 H 1 2.105 0.00 . 2 . . . . . 34 MET HG3 . 51010 1 340 . 1 . 1 34 34 MET C C 13 178.526 0.07 . 1 . . . . . 34 MET C . 51010 1 341 . 1 . 1 34 34 MET CA C 13 56.430 0.21 . 1 . . . . . 34 MET CA . 51010 1 342 . 1 . 1 34 34 MET CB C 13 30.544 0.06 . 1 . . . . . 34 MET CB . 51010 1 343 . 1 . 1 34 34 MET N N 15 116.903 0.22 . 1 . . . . . 34 MET N . 51010 1 344 . 1 . 1 35 35 GLU H H 1 7.909 0.00 . 1 . . . . . 35 GLU H . 51010 1 345 . 1 . 1 35 35 GLU HA H 1 3.917 0.26 . 1 . . . . . 35 GLU HA . 51010 1 346 . 1 . 1 35 35 GLU HB2 H 1 2.135 0.00 . 2 . . . . . 35 GLU HB2 . 51010 1 347 . 1 . 1 35 35 GLU HB3 H 1 2.135 0.00 . 2 . . . . . 35 GLU HB3 . 51010 1 348 . 1 . 1 35 35 GLU HG2 H 1 2.507 0.26 . 2 . . . . . 35 GLU HG2 . 51010 1 349 . 1 . 1 35 35 GLU HG3 H 1 2.507 0.26 . 2 . . . . . 35 GLU HG3 . 51010 1 350 . 1 . 1 35 35 GLU C C 13 180.458 0.11 . 1 . . . . . 35 GLU C . 51010 1 351 . 1 . 1 35 35 GLU CA C 13 59.872 0.25 . 1 . . . . . 35 GLU CA . 51010 1 352 . 1 . 1 35 35 GLU CB C 13 29.215 0.07 . 1 . . . . . 35 GLU CB . 51010 1 353 . 1 . 1 35 35 GLU CG C 13 35.611 0.00 . 1 . . . . . 35 GLU CG . 51010 1 354 . 1 . 1 35 35 GLU N N 15 120.234 0.13 . 1 . . . . . 35 GLU N . 51010 1 355 . 1 . 1 36 36 GLU H H 1 8.524 0.01 . 1 . . . . . 36 GLU H . 51010 1 356 . 1 . 1 36 36 GLU HA H 1 3.869 0.03 . 1 . . . . . 36 GLU HA . 51010 1 357 . 1 . 1 36 36 GLU HB2 H 1 1.961 0.00 . 2 . . . . . 36 GLU HB2 . 51010 1 358 . 1 . 1 36 36 GLU HB3 H 1 1.961 0.00 . 2 . . . . . 36 GLU HB3 . 51010 1 359 . 1 . 1 36 36 GLU HG2 H 1 2.183 0.01 . 2 . . . . . 36 GLU HG2 . 51010 1 360 . 1 . 1 36 36 GLU HG3 H 1 2.183 0.01 . 2 . . . . . 36 GLU HG3 . 51010 1 361 . 1 . 1 36 36 GLU C C 13 178.202 0.10 . 1 . . . . . 36 GLU C . 51010 1 362 . 1 . 1 36 36 GLU CA C 13 59.034 0.25 . 1 . . . . . 36 GLU CA . 51010 1 363 . 1 . 1 36 36 GLU CB C 13 29.047 0.07 . 1 . . . . . 36 GLU CB . 51010 1 364 . 1 . 1 36 36 GLU CG C 13 36.454 0.00 . 1 . . . . . 36 GLU CG . 51010 1 365 . 1 . 1 36 36 GLU N N 15 120.931 0.09 . 1 . . . . . 36 GLU N . 51010 1 366 . 1 . 1 37 37 ARG H H 1 7.265 0.00 . 1 . . . . . 37 ARG H . 51010 1 367 . 1 . 1 37 37 ARG HA H 1 4.127 0.02 . 1 . . . . . 37 ARG HA . 51010 1 368 . 1 . 1 37 37 ARG HB2 H 1 1.534 0.02 . 2 . . . . . 37 ARG HB2 . 51010 1 369 . 1 . 1 37 37 ARG HB3 H 1 1.534 0.02 . 2 . . . . . 37 ARG HB3 . 51010 1 370 . 1 . 1 37 37 ARG HG2 H 1 1.216 0.02 . 2 . . . . . 37 ARG HG2 . 51010 1 371 . 1 . 1 37 37 ARG HG3 H 1 1.216 0.02 . 2 . . . . . 37 ARG HG3 . 51010 1 372 . 1 . 1 37 37 ARG HD2 H 1 2.679 0.01 . 2 . . . . . 37 ARG HD2 . 51010 1 373 . 1 . 1 37 37 ARG HD3 H 1 2.679 0.01 . 2 . . . . . 37 ARG HD3 . 51010 1 374 . 1 . 1 37 37 ARG C C 13 176.538 0.09 . 1 . . . . . 37 ARG C . 51010 1 375 . 1 . 1 37 37 ARG CA C 13 55.451 0.21 . 1 . . . . . 37 ARG CA . 51010 1 376 . 1 . 1 37 37 ARG CB C 13 30.141 0.11 . 1 . . . . . 37 ARG CB . 51010 1 377 . 1 . 1 37 37 ARG CG C 13 26.908 0.00 . 1 . . . . . 37 ARG CG . 51010 1 378 . 1 . 1 37 37 ARG CD C 13 43.282 0.00 . 1 . . . . . 37 ARG CD . 51010 1 379 . 1 . 1 37 37 ARG N N 15 115.838 0.06 . 1 . . . . . 37 ARG N . 51010 1 380 . 1 . 1 38 38 GLY H H 1 7.737 0.00 . 1 . . . . . 38 GLY H . 51010 1 381 . 1 . 1 38 38 GLY HA2 H 1 3.742 0.02 . 2 . . . . . 38 GLY HA2 . 51010 1 382 . 1 . 1 38 38 GLY HA3 H 1 3.742 0.02 . 2 . . . . . 38 GLY HA3 . 51010 1 383 . 1 . 1 38 38 GLY C C 13 173.749 0.09 . 1 . . . . . 38 GLY C . 51010 1 384 . 1 . 1 38 38 GLY CA C 13 45.024 0.14 . 1 . . . . . 38 GLY CA . 51010 1 385 . 1 . 1 38 38 GLY N N 15 107.336 0.18 . 1 . . . . . 38 GLY N . 51010 1 386 . 1 . 1 39 39 SER H H 1 8.149 0.00 . 1 . . . . . 39 SER H . 51010 1 387 . 1 . 1 39 39 SER C C 13 171.830 0.00 . 1 . . . . . 39 SER C . 51010 1 388 . 1 . 1 39 39 SER CA C 13 62.035 0.00 . 1 . . . . . 39 SER CA . 51010 1 389 . 1 . 1 39 39 SER CB C 13 64.736 0.00 . 1 . . . . . 39 SER CB . 51010 1 390 . 1 . 1 39 39 SER N N 15 114.186 0.08 . 1 . . . . . 39 SER N . 51010 1 391 . 1 . 1 40 40 PRO HA H 1 4.168 0.02 . 1 . . . . . 40 PRO HA . 51010 1 392 . 1 . 1 40 40 PRO HB2 H 1 2.023 0.09 . 2 . . . . . 40 PRO HB2 . 51010 1 393 . 1 . 1 40 40 PRO HB3 H 1 2.023 0.09 . 2 . . . . . 40 PRO HB3 . 51010 1 394 . 1 . 1 40 40 PRO C C 13 176.883 0.00 . 1 . . . . . 40 PRO C . 51010 1 395 . 1 . 1 40 40 PRO CA C 13 62.624 0.00 . 1 . . . . . 40 PRO CA . 51010 1 396 . 1 . 1 40 40 PRO CB C 13 32.258 0.06 . 1 . . . . . 40 PRO CB . 51010 1 397 . 1 . 1 40 40 PRO CG C 13 27.611 0.00 . 1 . . . . . 40 PRO CG . 51010 1 398 . 1 . 1 41 41 VAL H H 1 8.419 0.01 . 1 . . . . . 41 VAL H . 51010 1 399 . 1 . 1 41 41 VAL HA H 1 4.250 0.01 . 1 . . . . . 41 VAL HA . 51010 1 400 . 1 . 1 41 41 VAL HB H 1 2.006 0.03 . 1 . . . . . 41 VAL HB . 51010 1 401 . 1 . 1 41 41 VAL HG11 H 1 1.204 0.02 . 2 . . . . . 41 VAL HG1 . 51010 1 402 . 1 . 1 41 41 VAL HG12 H 1 1.204 0.02 . 2 . . . . . 41 VAL HG1 . 51010 1 403 . 1 . 1 41 41 VAL HG13 H 1 1.204 0.02 . 2 . . . . . 41 VAL HG1 . 51010 1 404 . 1 . 1 41 41 VAL HG21 H 1 1.204 0.02 . 2 . . . . . 41 VAL HG2 . 51010 1 405 . 1 . 1 41 41 VAL HG22 H 1 1.204 0.02 . 2 . . . . . 41 VAL HG2 . 51010 1 406 . 1 . 1 41 41 VAL HG23 H 1 1.204 0.02 . 2 . . . . . 41 VAL HG2 . 51010 1 407 . 1 . 1 41 41 VAL C C 13 175.571 0.12 . 1 . . . . . 41 VAL C . 51010 1 408 . 1 . 1 41 41 VAL CA C 13 61.933 0.22 . 1 . . . . . 41 VAL CA . 51010 1 409 . 1 . 1 41 41 VAL CB C 13 32.959 0.13 . 1 . . . . . 41 VAL CB . 51010 1 410 . 1 . 1 41 41 VAL CG1 C 13 22.045 0.00 . 2 . . . . . 41 VAL CG1 . 51010 1 411 . 1 . 1 41 41 VAL CG2 C 13 22.045 0.00 . 2 . . . . . 41 VAL CG2 . 51010 1 412 . 1 . 1 41 41 VAL N N 15 122.897 0.09 . 1 . . . . . 41 VAL N . 51010 1 413 . 1 . 1 42 42 SER H H 1 8.854 0.01 . 1 . . . . . 42 SER H . 51010 1 414 . 1 . 1 42 42 SER HA H 1 4.641 0.02 . 1 . . . . . 42 SER HA . 51010 1 415 . 1 . 1 42 42 SER HB2 H 1 3.863 0.02 . 2 . . . . . 42 SER HB2 . 51010 1 416 . 1 . 1 42 42 SER HB3 H 1 3.863 0.02 . 2 . . . . . 42 SER HB3 . 51010 1 417 . 1 . 1 42 42 SER C C 13 175.526 0.10 . 1 . . . . . 42 SER C . 51010 1 418 . 1 . 1 42 42 SER CA C 13 59.026 0.41 . 1 . . . . . 42 SER CA . 51010 1 419 . 1 . 1 42 42 SER CB C 13 64.314 0.31 . 1 . . . . . 42 SER CB . 51010 1 420 . 1 . 1 42 42 SER N N 15 119.373 0.09 . 1 . . . . . 42 SER N . 51010 1 421 . 1 . 1 43 43 SER H H 1 8.011 0.00 . 1 . . . . . 43 SER H . 51010 1 422 . 1 . 1 43 43 SER HA H 1 4.978 0.02 . 1 . . . . . 43 SER HA . 51010 1 423 . 1 . 1 43 43 SER HB2 H 1 3.707 0.02 . 2 . . . . . 43 SER HB2 . 51010 1 424 . 1 . 1 43 43 SER HB3 H 1 3.707 0.02 . 2 . . . . . 43 SER HB3 . 51010 1 425 . 1 . 1 43 43 SER C C 13 173.177 0.11 . 1 . . . . . 43 SER C . 51010 1 426 . 1 . 1 43 43 SER CA C 13 57.118 0.17 . 1 . . . . . 43 SER CA . 51010 1 427 . 1 . 1 43 43 SER CB C 13 64.957 0.30 . 1 . . . . . 43 SER CB . 51010 1 428 . 1 . 1 43 43 SER N N 15 118.242 0.10 . 1 . . . . . 43 SER N . 51010 1 429 . 1 . 1 44 44 LEU H H 1 8.487 0.00 . 1 . . . . . 44 LEU H . 51010 1 430 . 1 . 1 44 44 LEU C C 13 174.870 0.00 . 1 . . . . . 44 LEU C . 51010 1 431 . 1 . 1 44 44 LEU CA C 13 52.702 0.00 . 1 . . . . . 44 LEU CA . 51010 1 432 . 1 . 1 44 44 LEU CB C 13 42.893 0.00 . 1 . . . . . 44 LEU CB . 51010 1 433 . 1 . 1 44 44 LEU N N 15 124.967 0.13 . 1 . . . . . 44 LEU N . 51010 1 434 . 1 . 1 45 45 PRO HA H 1 4.464 0.02 . 1 . . . . . 45 PRO HA . 51010 1 435 . 1 . 1 45 45 PRO HB2 H 1 2.303 0.15 . 2 . . . . . 45 PRO HB2 . 51010 1 436 . 1 . 1 45 45 PRO HB3 H 1 2.303 0.15 . 2 . . . . . 45 PRO HB3 . 51010 1 437 . 1 . 1 45 45 PRO HG2 H 1 1.732 0.03 . 2 . . . . . 45 PRO HG2 . 51010 1 438 . 1 . 1 45 45 PRO HG3 H 1 1.732 0.03 . 2 . . . . . 45 PRO HG3 . 51010 1 439 . 1 . 1 45 45 PRO HD2 H 1 2.745 0.04 . 2 . . . . . 45 PRO HD2 . 51010 1 440 . 1 . 1 45 45 PRO HD3 H 1 2.745 0.04 . 2 . . . . . 45 PRO HD3 . 51010 1 441 . 1 . 1 45 45 PRO C C 13 173.276 0.10 . 1 . . . . . 45 PRO C . 51010 1 442 . 1 . 1 45 45 PRO CA C 13 62.354 0.25 . 1 . . . . . 45 PRO CA . 51010 1 443 . 1 . 1 45 45 PRO CB C 13 32.603 0.06 . 1 . . . . . 45 PRO CB . 51010 1 444 . 1 . 1 45 45 PRO CG C 13 26.851 0.00 . 1 . . . . . 45 PRO CG . 51010 1 445 . 1 . 1 46 46 ALA H H 1 8.024 0.01 . 1 . . . . . 46 ALA H . 51010 1 446 . 1 . 1 46 46 ALA HA H 1 4.897 0.03 . 1 . . . . . 46 ALA HA . 51010 1 447 . 1 . 1 46 46 ALA HB1 H 1 0.996 0.03 . 1 . . . . . 46 ALA HB . 51010 1 448 . 1 . 1 46 46 ALA HB2 H 1 0.996 0.03 . 1 . . . . . 46 ALA HB . 51010 1 449 . 1 . 1 46 46 ALA HB3 H 1 0.996 0.03 . 1 . . . . . 46 ALA HB . 51010 1 450 . 1 . 1 46 46 ALA C C 13 177.349 0.11 . 1 . . . . . 46 ALA C . 51010 1 451 . 1 . 1 46 46 ALA CA C 13 50.710 0.01 . 1 . . . . . 46 ALA CA . 51010 1 452 . 1 . 1 46 46 ALA CB C 13 23.602 0.06 . 1 . . . . . 46 ALA CB . 51010 1 453 . 1 . 1 46 46 ALA N N 15 120.243 0.41 . 1 . . . . . 46 ALA N . 51010 1 454 . 1 . 1 47 47 VAL H H 1 8.487 0.00 . 1 . . . . . 47 VAL H . 51010 1 455 . 1 . 1 47 47 VAL HA H 1 4.058 0.02 . 1 . . . . . 47 VAL HA . 51010 1 456 . 1 . 1 47 47 VAL HB H 1 1.873 0.03 . 1 . . . . . 47 VAL HB . 51010 1 457 . 1 . 1 47 47 VAL HG11 H 1 0.897 0.01 . 2 . . . . . 47 VAL HG1 . 51010 1 458 . 1 . 1 47 47 VAL HG12 H 1 0.897 0.01 . 2 . . . . . 47 VAL HG1 . 51010 1 459 . 1 . 1 47 47 VAL HG13 H 1 0.897 0.01 . 2 . . . . . 47 VAL HG1 . 51010 1 460 . 1 . 1 47 47 VAL HG21 H 1 0.897 0.01 . 2 . . . . . 47 VAL HG2 . 51010 1 461 . 1 . 1 47 47 VAL HG22 H 1 0.897 0.01 . 2 . . . . . 47 VAL HG2 . 51010 1 462 . 1 . 1 47 47 VAL HG23 H 1 0.897 0.01 . 2 . . . . . 47 VAL HG2 . 51010 1 463 . 1 . 1 47 47 VAL C C 13 176.834 0.15 . 1 . . . . . 47 VAL C . 51010 1 464 . 1 . 1 47 47 VAL CA C 13 62.023 0.03 . 1 . . . . . 47 VAL CA . 51010 1 465 . 1 . 1 47 47 VAL CB C 13 33.544 0.05 . 1 . . . . . 47 VAL CB . 51010 1 466 . 1 . 1 47 47 VAL CG1 C 13 21.557 0.00 . 2 . . . . . 47 VAL CG1 . 51010 1 467 . 1 . 1 47 47 VAL CG2 C 13 21.557 0.00 . 2 . . . . . 47 VAL CG2 . 51010 1 468 . 1 . 1 47 47 VAL N N 15 120.224 0.07 . 1 . . . . . 47 VAL N . 51010 1 469 . 1 . 1 48 48 GLY H H 1 9.128 0.01 . 1 . . . . . 48 GLY H . 51010 1 470 . 1 . 1 48 48 GLY C C 13 175.312 0.14 . 1 . . . . . 48 GLY C . 51010 1 471 . 1 . 1 48 48 GLY CA C 13 47.150 0.11 . 1 . . . . . 48 GLY CA . 51010 1 472 . 1 . 1 48 48 GLY N N 15 119.073 0.10 . 1 . . . . . 48 GLY N . 51010 1 473 . 1 . 1 49 49 LYS H H 1 8.701 0.24 . 1 . . . . . 49 LYS H . 51010 1 474 . 1 . 1 49 49 LYS HA H 1 4.021 0.02 . 1 . . . . . 49 LYS HA . 51010 1 475 . 1 . 1 49 49 LYS HB2 H 1 2.033 0.17 . 2 . . . . . 49 LYS HB2 . 51010 1 476 . 1 . 1 49 49 LYS HB3 H 1 2.033 0.17 . 2 . . . . . 49 LYS HB3 . 51010 1 477 . 1 . 1 49 49 LYS HG2 H 1 1.442 0.00 . 2 . . . . . 49 LYS HG2 . 51010 1 478 . 1 . 1 49 49 LYS HG3 H 1 1.442 0.00 . 2 . . . . . 49 LYS HG3 . 51010 1 479 . 1 . 1 49 49 LYS HD2 H 1 1.652 0.01 . 2 . . . . . 49 LYS HD2 . 51010 1 480 . 1 . 1 49 49 LYS HD3 H 1 1.652 0.01 . 2 . . . . . 49 LYS HD3 . 51010 1 481 . 1 . 1 49 49 LYS HE2 H 1 2.923 0.01 . 2 . . . . . 49 LYS HE2 . 51010 1 482 . 1 . 1 49 49 LYS HE3 H 1 2.923 0.01 . 2 . . . . . 49 LYS HE3 . 51010 1 483 . 1 . 1 49 49 LYS C C 13 175.925 0.21 . 1 . . . . . 49 LYS C . 51010 1 484 . 1 . 1 49 49 LYS CA C 13 56.681 0.31 . 1 . . . . . 49 LYS CA . 51010 1 485 . 1 . 1 49 49 LYS CB C 13 31.837 0.08 . 1 . . . . . 49 LYS CB . 51010 1 486 . 1 . 1 49 49 LYS CG C 13 25.373 0.00 . 1 . . . . . 49 LYS CG . 51010 1 487 . 1 . 1 49 49 LYS CD C 13 29.166 0.00 . 1 . . . . . 49 LYS CD . 51010 1 488 . 1 . 1 49 49 LYS CE C 13 41.709 0.00 . 1 . . . . . 49 LYS CE . 51010 1 489 . 1 . 1 49 49 LYS N N 15 121.175 2.58 . 1 . . . . . 49 LYS N . 51010 1 490 . 1 . 1 50 50 LYS H H 1 7.933 0.01 . 1 . . . . . 50 LYS H . 51010 1 491 . 1 . 1 50 50 LYS C C 13 173.428 0.00 . 1 . . . . . 50 LYS C . 51010 1 492 . 1 . 1 50 50 LYS CA C 13 52.994 0.00 . 1 . . . . . 50 LYS CA . 51010 1 493 . 1 . 1 50 50 LYS CB C 13 32.843 0.00 . 1 . . . . . 50 LYS CB . 51010 1 494 . 1 . 1 50 50 LYS N N 15 121.827 0.15 . 1 . . . . . 50 LYS N . 51010 1 495 . 1 . 1 51 51 PRO HA H 1 4.238 0.02 . 1 . . . . . 51 PRO HA . 51010 1 496 . 1 . 1 51 51 PRO HB2 H 1 2.096 0.05 . 2 . . . . . 51 PRO HB2 . 51010 1 497 . 1 . 1 51 51 PRO HB3 H 1 2.096 0.05 . 2 . . . . . 51 PRO HB3 . 51010 1 498 . 1 . 1 51 51 PRO HG2 H 1 1.671 0.02 . 2 . . . . . 51 PRO HG2 . 51010 1 499 . 1 . 1 51 51 PRO HG3 H 1 1.671 0.02 . 2 . . . . . 51 PRO HG3 . 51010 1 500 . 1 . 1 51 51 PRO C C 13 176.021 0.08 . 1 . . . . . 51 PRO C . 51010 1 501 . 1 . 1 51 51 PRO CA C 13 62.492 0.24 . 1 . . . . . 51 PRO CA . 51010 1 502 . 1 . 1 51 51 PRO CB C 13 32.623 0.04 . 1 . . . . . 51 PRO CB . 51010 1 503 . 1 . 1 51 51 PRO CG C 13 27.426 0.00 . 1 . . . . . 51 PRO CG . 51010 1 504 . 1 . 1 51 51 PRO CD C 13 50.123 0.00 . 1 . . . . . 51 PRO CD . 51010 1 505 . 1 . 1 52 52 LEU H H 1 8.446 0.00 . 1 . . . . . 52 LEU H . 51010 1 506 . 1 . 1 52 52 LEU HA H 1 4.248 0.02 . 1 . . . . . 52 LEU HA . 51010 1 507 . 1 . 1 52 52 LEU HB2 H 1 1.559 0.10 . 2 . . . . . 52 LEU HB2 . 51010 1 508 . 1 . 1 52 52 LEU HB3 H 1 1.483 0.02 . 2 . . . . . 52 LEU HB3 . 51010 1 509 . 1 . 1 52 52 LEU HG H 1 1.494 0.02 . 1 . . . . . 52 LEU HG . 51010 1 510 . 1 . 1 52 52 LEU HD11 H 1 0.670 0.03 . 2 . . . . . 52 LEU HD1 . 51010 1 511 . 1 . 1 52 52 LEU HD12 H 1 0.670 0.03 . 2 . . . . . 52 LEU HD1 . 51010 1 512 . 1 . 1 52 52 LEU HD13 H 1 0.670 0.03 . 2 . . . . . 52 LEU HD1 . 51010 1 513 . 1 . 1 52 52 LEU HD21 H 1 0.670 0.03 . 2 . . . . . 52 LEU HD2 . 51010 1 514 . 1 . 1 52 52 LEU HD22 H 1 0.670 0.03 . 2 . . . . . 52 LEU HD2 . 51010 1 515 . 1 . 1 52 52 LEU HD23 H 1 0.670 0.03 . 2 . . . . . 52 LEU HD2 . 51010 1 516 . 1 . 1 52 52 LEU C C 13 174.170 0.11 . 1 . . . . . 52 LEU C . 51010 1 517 . 1 . 1 52 52 LEU CA C 13 53.021 0.17 . 1 . . . . . 52 LEU CA . 51010 1 518 . 1 . 1 52 52 LEU CB C 13 43.438 0.15 . 1 . . . . . 52 LEU CB . 51010 1 519 . 1 . 1 52 52 LEU CG C 13 27.041 0.00 . 1 . . . . . 52 LEU CG . 51010 1 520 . 1 . 1 52 52 LEU CD1 C 13 26.036 0.00 . 1 . . . . . 52 LEU CD1 . 51010 1 521 . 1 . 1 52 52 LEU CD2 C 13 26.036 0.00 . 1 . . . . . 52 LEU CD2 . 51010 1 522 . 1 . 1 52 52 LEU N N 15 123.759 0.15 . 1 . . . . . 52 LEU N . 51010 1 523 . 1 . 1 53 53 ASP H H 1 8.524 0.01 . 1 . . . . . 53 ASP H . 51010 1 524 . 1 . 1 53 53 ASP HA H 1 4.259 0.02 . 1 . . . . . 53 ASP HA . 51010 1 525 . 1 . 1 53 53 ASP HB2 H 1 2.868 0.17 . 2 . . . . . 53 ASP HB2 . 51010 1 526 . 1 . 1 53 53 ASP HB3 H 1 2.557 0.04 . 2 . . . . . 53 ASP HB3 . 51010 1 527 . 1 . 1 53 53 ASP C C 13 176.362 0.11 . 1 . . . . . 53 ASP C . 51010 1 528 . 1 . 1 53 53 ASP CA C 13 52.540 0.18 . 1 . . . . . 53 ASP CA . 51010 1 529 . 1 . 1 53 53 ASP CB C 13 39.321 0.16 . 1 . . . . . 53 ASP CB . 51010 1 530 . 1 . 1 53 53 ASP N N 15 123.010 0.12 . 1 . . . . . 53 ASP N . 51010 1 531 . 1 . 1 54 54 LEU H H 1 6.890 0.01 . 1 . . . . . 54 LEU H . 51010 1 532 . 1 . 1 54 54 LEU HA H 1 3.634 0.02 . 1 . . . . . 54 LEU HA . 51010 1 533 . 1 . 1 54 54 LEU HB2 H 1 1.443 0.01 . 2 . . . . . 54 LEU HB2 . 51010 1 534 . 1 . 1 54 54 LEU HB3 H 1 1.443 0.01 . 2 . . . . . 54 LEU HB3 . 51010 1 535 . 1 . 1 54 54 LEU HG H 1 1.447 0.01 . 1 . . . . . 54 LEU HG . 51010 1 536 . 1 . 1 54 54 LEU C C 13 176.606 0.07 . 1 . . . . . 54 LEU C . 51010 1 537 . 1 . 1 54 54 LEU CA C 13 57.617 0.02 . 1 . . . . . 54 LEU CA . 51010 1 538 . 1 . 1 54 54 LEU CB C 13 44.112 0.04 . 1 . . . . . 54 LEU CB . 51010 1 539 . 1 . 1 54 54 LEU N N 15 123.224 0.14 . 1 . . . . . 54 LEU N . 51010 1 540 . 1 . 1 55 55 PHE H H 1 6.954 0.01 . 1 . . . . . 55 PHE H . 51010 1 541 . 1 . 1 55 55 PHE HB2 H 1 2.640 0.07 . 2 . . . . . 55 PHE HB2 . 51010 1 542 . 1 . 1 55 55 PHE HB3 H 1 2.619 0.07 . 2 . . . . . 55 PHE HB3 . 51010 1 543 . 1 . 1 55 55 PHE C C 13 175.064 0.11 . 1 . . . . . 55 PHE C . 51010 1 544 . 1 . 1 55 55 PHE CA C 13 59.752 0.01 . 1 . . . . . 55 PHE CA . 51010 1 545 . 1 . 1 55 55 PHE CB C 13 38.350 0.19 . 1 . . . . . 55 PHE CB . 51010 1 546 . 1 . 1 55 55 PHE N N 15 113.791 0.16 . 1 . . . . . 55 PHE N . 51010 1 547 . 1 . 1 56 56 ARG H H 1 6.782 0.01 . 1 . . . . . 56 ARG H . 51010 1 548 . 1 . 1 56 56 ARG HA H 1 3.837 0.02 . 1 . . . . . 56 ARG HA . 51010 1 549 . 1 . 1 56 56 ARG HB2 H 1 1.814 0.06 . 2 . . . . . 56 ARG HB2 . 51010 1 550 . 1 . 1 56 56 ARG HB3 H 1 1.814 0.06 . 2 . . . . . 56 ARG HB3 . 51010 1 551 . 1 . 1 56 56 ARG HG2 H 1 1.621 0.01 . 2 . . . . . 56 ARG HG2 . 51010 1 552 . 1 . 1 56 56 ARG HG3 H 1 1.621 0.01 . 2 . . . . . 56 ARG HG3 . 51010 1 553 . 1 . 1 56 56 ARG HD2 H 1 3.189 0.02 . 2 . . . . . 56 ARG HD2 . 51010 1 554 . 1 . 1 56 56 ARG HD3 H 1 3.189 0.02 . 2 . . . . . 56 ARG HD3 . 51010 1 555 . 1 . 1 56 56 ARG C C 13 178.449 0.14 . 1 . . . . . 56 ARG C . 51010 1 556 . 1 . 1 56 56 ARG CA C 13 58.509 0.08 . 1 . . . . . 56 ARG CA . 51010 1 557 . 1 . 1 56 56 ARG CB C 13 30.238 0.05 . 1 . . . . . 56 ARG CB . 51010 1 558 . 1 . 1 56 56 ARG CD C 13 42.228 0.00 . 1 . . . . . 56 ARG CD . 51010 1 559 . 1 . 1 56 56 ARG N N 15 118.164 0.11 . 1 . . . . . 56 ARG N . 51010 1 560 . 1 . 1 57 57 LEU H H 1 8.196 0.01 . 1 . . . . . 57 LEU H . 51010 1 561 . 1 . 1 57 57 LEU C C 13 179.513 0.03 . 1 . . . . . 57 LEU C . 51010 1 562 . 1 . 1 57 57 LEU CA C 13 58.291 0.02 . 1 . . . . . 57 LEU CA . 51010 1 563 . 1 . 1 57 57 LEU CB C 13 40.758 0.25 . 1 . . . . . 57 LEU CB . 51010 1 564 . 1 . 1 57 57 LEU N N 15 116.358 0.13 . 1 . . . . . 57 LEU N . 51010 1 565 . 1 . 1 58 58 TYR H H 1 7.819 0.01 . 1 . . . . . 58 TYR H . 51010 1 566 . 1 . 1 58 58 TYR HA H 1 3.781 0.04 . 1 . . . . . 58 TYR HA . 51010 1 567 . 1 . 1 58 58 TYR HB2 H 1 3.021 0.01 . 2 . . . . . 58 TYR HB2 . 51010 1 568 . 1 . 1 58 58 TYR HB3 H 1 2.661 0.25 . 2 . . . . . 58 TYR HB3 . 51010 1 569 . 1 . 1 58 58 TYR C C 13 177.827 0.14 . 1 . . . . . 58 TYR C . 51010 1 570 . 1 . 1 58 58 TYR CA C 13 64.140 0.05 . 1 . . . . . 58 TYR CA . 51010 1 571 . 1 . 1 58 58 TYR CB C 13 38.503 0.19 . 1 . . . . . 58 TYR CB . 51010 1 572 . 1 . 1 58 58 TYR N N 15 118.432 0.21 . 1 . . . . . 58 TYR N . 51010 1 573 . 1 . 1 59 59 VAL H H 1 7.845 0.00 . 1 . . . . . 59 VAL H . 51010 1 574 . 1 . 1 59 59 VAL HA H 1 3.918 0.03 . 1 . . . . . 59 VAL HA . 51010 1 575 . 1 . 1 59 59 VAL HB H 1 1.584 0.04 . 1 . . . . . 59 VAL HB . 51010 1 576 . 1 . 1 59 59 VAL C C 13 178.718 0.09 . 1 . . . . . 59 VAL C . 51010 1 577 . 1 . 1 59 59 VAL CA C 13 66.544 0.12 . 1 . . . . . 59 VAL CA . 51010 1 578 . 1 . 1 59 59 VAL CB C 13 31.564 0.06 . 1 . . . . . 59 VAL CB . 51010 1 579 . 1 . 1 59 59 VAL N N 15 117.430 0.09 . 1 . . . . . 59 VAL N . 51010 1 580 . 1 . 1 60 60 CYS H H 1 8.186 0.01 . 1 . . . . . 60 CYS H . 51010 1 581 . 1 . 1 60 60 CYS HB2 H 1 2.674 0.00 . 2 . . . . . 60 CYS HB2 . 51010 1 582 . 1 . 1 60 60 CYS HB3 H 1 2.674 0.00 . 2 . . . . . 60 CYS HB3 . 51010 1 583 . 1 . 1 60 60 CYS C C 13 178.048 0.09 . 1 . . . . . 60 CYS C . 51010 1 584 . 1 . 1 60 60 CYS CA C 13 63.684 0.02 . 1 . . . . . 60 CYS CA . 51010 1 585 . 1 . 1 60 60 CYS CB C 13 27.179 0.03 . 1 . . . . . 60 CYS CB . 51010 1 586 . 1 . 1 60 60 CYS N N 15 118.071 0.23 . 1 . . . . . 60 CYS N . 51010 1 587 . 1 . 1 61 61 VAL H H 1 7.953 0.00 . 1 . . . . . 61 VAL H . 51010 1 588 . 1 . 1 61 61 VAL HA H 1 3.115 0.03 . 1 . . . . . 61 VAL HA . 51010 1 589 . 1 . 1 61 61 VAL HB H 1 1.771 0.05 . 1 . . . . . 61 VAL HB . 51010 1 590 . 1 . 1 61 61 VAL C C 13 178.072 0.09 . 1 . . . . . 61 VAL C . 51010 1 591 . 1 . 1 61 61 VAL CA C 13 66.513 0.05 . 1 . . . . . 61 VAL CA . 51010 1 592 . 1 . 1 61 61 VAL CB C 13 30.602 0.00 . 1 . . . . . 61 VAL CB . 51010 1 593 . 1 . 1 61 61 VAL N N 15 120.891 0.11 . 1 . . . . . 61 VAL N . 51010 1 594 . 1 . 1 62 62 LYS H H 1 8.399 0.01 . 1 . . . . . 62 LYS H . 51010 1 595 . 1 . 1 62 62 LYS HA H 1 3.586 0.03 . 1 . . . . . 62 LYS HA . 51010 1 596 . 1 . 1 62 62 LYS HB2 H 1 1.583 0.16 . 2 . . . . . 62 LYS HB2 . 51010 1 597 . 1 . 1 62 62 LYS HB3 H 1 1.583 0.16 . 2 . . . . . 62 LYS HB3 . 51010 1 598 . 1 . 1 62 62 LYS HG2 H 1 1.442 0.00 . 2 . . . . . 62 LYS HG2 . 51010 1 599 . 1 . 1 62 62 LYS HG3 H 1 1.442 0.00 . 2 . . . . . 62 LYS HG3 . 51010 1 600 . 1 . 1 62 62 LYS C C 13 179.584 0.10 . 1 . . . . . 62 LYS C . 51010 1 601 . 1 . 1 62 62 LYS CA C 13 59.688 0.00 . 1 . . . . . 62 LYS CA . 51010 1 602 . 1 . 1 62 62 LYS CB C 13 32.085 0.08 . 1 . . . . . 62 LYS CB . 51010 1 603 . 1 . 1 62 62 LYS N N 15 125.982 0.18 . 1 . . . . . 62 LYS N . 51010 1 604 . 1 . 1 63 63 GLU H H 1 7.736 0.00 . 1 . . . . . 63 GLU H . 51010 1 605 . 1 . 1 63 63 GLU HA H 1 3.802 0.04 . 1 . . . . . 63 GLU HA . 51010 1 606 . 1 . 1 63 63 GLU HB2 H 1 2.322 0.10 . 2 . . . . . 63 GLU HB2 . 51010 1 607 . 1 . 1 63 63 GLU HB3 H 1 2.322 0.10 . 2 . . . . . 63 GLU HB3 . 51010 1 608 . 1 . 1 63 63 GLU C C 13 178.222 0.05 . 1 . . . . . 63 GLU C . 51010 1 609 . 1 . 1 63 63 GLU CA C 13 59.064 0.03 . 1 . . . . . 63 GLU CA . 51010 1 610 . 1 . 1 63 63 GLU CB C 13 29.358 0.11 . 1 . . . . . 63 GLU CB . 51010 1 611 . 1 . 1 63 63 GLU N N 15 118.664 0.10 . 1 . . . . . 63 GLU N . 51010 1 612 . 1 . 1 64 64 ILE H H 1 6.890 0.01 . 1 . . . . . 64 ILE H . 51010 1 613 . 1 . 1 64 64 ILE HA H 1 3.691 0.03 . 1 . . . . . 64 ILE HA . 51010 1 614 . 1 . 1 64 64 ILE HB H 1 1.518 0.01 . 1 . . . . . 64 ILE HB . 51010 1 615 . 1 . 1 64 64 ILE HG21 H 1 0.599 0.01 . 1 . . . . . 64 ILE HG2 . 51010 1 616 . 1 . 1 64 64 ILE HG22 H 1 0.599 0.01 . 1 . . . . . 64 ILE HG2 . 51010 1 617 . 1 . 1 64 64 ILE HG23 H 1 0.599 0.01 . 1 . . . . . 64 ILE HG2 . 51010 1 618 . 1 . 1 64 64 ILE HD11 H 1 0.599 0.01 . 2 . . . . . 64 ILE HD1 . 51010 1 619 . 1 . 1 64 64 ILE HD12 H 1 0.599 0.01 . 2 . . . . . 64 ILE HD1 . 51010 1 620 . 1 . 1 64 64 ILE HD13 H 1 0.599 0.01 . 2 . . . . . 64 ILE HD1 . 51010 1 621 . 1 . 1 64 64 ILE C C 13 175.507 0.10 . 1 . . . . . 64 ILE C . 51010 1 622 . 1 . 1 64 64 ILE CA C 13 62.826 0.04 . 1 . . . . . 64 ILE CA . 51010 1 623 . 1 . 1 64 64 ILE CB C 13 38.089 0.03 . 1 . . . . . 64 ILE CB . 51010 1 624 . 1 . 1 64 64 ILE CG2 C 13 17.637 0.00 . 2 . . . . . 64 ILE CG2 . 51010 1 625 . 1 . 1 64 64 ILE N N 15 117.188 0.22 . 1 . . . . . 64 ILE N . 51010 1 626 . 1 . 1 65 65 GLY H H 1 7.598 0.01 . 1 . . . . . 65 GLY H . 51010 1 627 . 1 . 1 65 65 GLY HA2 H 1 3.635 0.01 . 2 . . . . . 65 GLY HA2 . 51010 1 628 . 1 . 1 65 65 GLY HA3 H 1 3.635 0.01 . 2 . . . . . 65 GLY HA3 . 51010 1 629 . 1 . 1 65 65 GLY C C 13 174.786 0.07 . 1 . . . . . 65 GLY C . 51010 1 630 . 1 . 1 65 65 GLY CA C 13 44.650 0.18 . 1 . . . . . 65 GLY CA . 51010 1 631 . 1 . 1 65 65 GLY N N 15 104.204 0.17 . 1 . . . . . 65 GLY N . 51010 1 632 . 1 . 1 66 66 GLY H H 1 7.682 0.00 . 1 . . . . . 66 GLY H . 51010 1 633 . 1 . 1 66 66 GLY HA2 H 1 4.220 0.48 . 2 . . . . . 66 GLY HA2 . 51010 1 634 . 1 . 1 66 66 GLY HA3 H 1 4.220 0.48 . 2 . . . . . 66 GLY HA3 . 51010 1 635 . 1 . 1 66 66 GLY C C 13 173.260 0.09 . 1 . . . . . 66 GLY C . 51010 1 636 . 1 . 1 66 66 GLY CA C 13 43.157 0.16 . 1 . . . . . 66 GLY CA . 51010 1 637 . 1 . 1 66 66 GLY N N 15 110.363 0.09 . 1 . . . . . 66 GLY N . 51010 1 638 . 1 . 1 67 67 LEU H H 1 9.437 0.00 . 1 . . . . . 67 LEU H . 51010 1 639 . 1 . 1 67 67 LEU HA H 1 3.422 0.02 . 1 . . . . . 67 LEU HA . 51010 1 640 . 1 . 1 67 67 LEU HB2 H 1 2.677 0.00 . 1 . . . . . 67 LEU HB2 . 51010 1 641 . 1 . 1 67 67 LEU HB3 H 1 1.913 0.03 . 2 . . . . . 67 LEU HB3 . 51010 1 642 . 1 . 1 67 67 LEU HG H 1 1.918 0.00 . 1 . . . . . 67 LEU HG . 51010 1 643 . 1 . 1 67 67 LEU C C 13 177.162 0.06 . 1 . . . . . 67 LEU C . 51010 1 644 . 1 . 1 67 67 LEU CA C 13 59.764 0.03 . 1 . . . . . 67 LEU CA . 51010 1 645 . 1 . 1 67 67 LEU CB C 13 42.144 0.95 . 1 . . . . . 67 LEU CB . 51010 1 646 . 1 . 1 67 67 LEU CG C 13 25.876 0.00 . 1 . . . . . 67 LEU CG . 51010 1 647 . 1 . 1 67 67 LEU N N 15 122.663 0.12 . 1 . . . . . 67 LEU N . 51010 1 648 . 1 . 1 68 68 ALA H H 1 9.371 0.01 . 1 . . . . . 68 ALA H . 51010 1 649 . 1 . 1 68 68 ALA HA H 1 3.982 0.03 . 1 . . . . . 68 ALA HA . 51010 1 650 . 1 . 1 68 68 ALA HB1 H 1 1.415 0.03 . 1 . . . . . 68 ALA HB . 51010 1 651 . 1 . 1 68 68 ALA HB2 H 1 1.415 0.03 . 1 . . . . . 68 ALA HB . 51010 1 652 . 1 . 1 68 68 ALA HB3 H 1 1.415 0.03 . 1 . . . . . 68 ALA HB . 51010 1 653 . 1 . 1 68 68 ALA C C 13 181.123 0.11 . 1 . . . . . 68 ALA C . 51010 1 654 . 1 . 1 68 68 ALA CA C 13 55.433 0.02 . 1 . . . . . 68 ALA CA . 51010 1 655 . 1 . 1 68 68 ALA CB C 13 17.658 0.09 . 1 . . . . . 68 ALA CB . 51010 1 656 . 1 . 1 68 68 ALA N N 15 117.988 0.12 . 1 . . . . . 68 ALA N . 51010 1 657 . 1 . 1 69 69 GLN H H 1 7.319 0.01 . 1 . . . . . 69 GLN H . 51010 1 658 . 1 . 1 69 69 GLN HA H 1 4.024 0.02 . 1 . . . . . 69 GLN HA . 51010 1 659 . 1 . 1 69 69 GLN HB2 H 1 2.009 0.09 . 2 . . . . . 69 GLN HB2 . 51010 1 660 . 1 . 1 69 69 GLN HB3 H 1 2.009 0.09 . 2 . . . . . 69 GLN HB3 . 51010 1 661 . 1 . 1 69 69 GLN HG2 H 1 2.362 0.01 . 2 . . . . . 69 GLN HG2 . 51010 1 662 . 1 . 1 69 69 GLN HG3 H 1 2.362 0.01 . 2 . . . . . 69 GLN HG3 . 51010 1 663 . 1 . 1 69 69 GLN C C 13 178.533 0.08 . 1 . . . . . 69 GLN C . 51010 1 664 . 1 . 1 69 69 GLN CA C 13 57.398 0.25 . 1 . . . . . 69 GLN CA . 51010 1 665 . 1 . 1 69 69 GLN CB C 13 29.397 0.21 . 1 . . . . . 69 GLN CB . 51010 1 666 . 1 . 1 69 69 GLN CG C 13 33.336 0.00 . 1 . . . . . 69 GLN CG . 51010 1 667 . 1 . 1 69 69 GLN N N 15 116.393 0.08 . 1 . . . . . 69 GLN N . 51010 1 668 . 1 . 1 70 70 VAL H H 1 7.934 0.00 . 1 . . . . . 70 VAL H . 51010 1 669 . 1 . 1 70 70 VAL HA H 1 4.117 0.18 . 1 . . . . . 70 VAL HA . 51010 1 670 . 1 . 1 70 70 VAL HB H 1 2.074 0.49 . 1 . . . . . 70 VAL HB . 51010 1 671 . 1 . 1 70 70 VAL C C 13 178.404 0.14 . 1 . . . . . 70 VAL C . 51010 1 672 . 1 . 1 70 70 VAL CA C 13 66.696 0.04 . 1 . . . . . 70 VAL CA . 51010 1 673 . 1 . 1 70 70 VAL CB C 13 30.707 0.12 . 1 . . . . . 70 VAL CB . 51010 1 674 . 1 . 1 70 70 VAL CG1 C 13 21.485 0.00 . 2 . . . . . 70 VAL CG1 . 51010 1 675 . 1 . 1 70 70 VAL CG2 C 13 21.485 0.00 . 2 . . . . . 70 VAL CG2 . 51010 1 676 . 1 . 1 70 70 VAL N N 15 122.951 0.20 . 1 . . . . . 70 VAL N . 51010 1 677 . 1 . 1 71 71 ASN H H 1 8.218 0.02 . 1 . . . . . 71 ASN H . 51010 1 678 . 1 . 1 71 71 ASN HA H 1 4.248 0.03 . 1 . . . . . 71 ASN HA . 51010 1 679 . 1 . 1 71 71 ASN HB2 H 1 2.908 0.02 . 2 . . . . . 71 ASN HB2 . 51010 1 680 . 1 . 1 71 71 ASN HB3 H 1 2.908 0.02 . 2 . . . . . 71 ASN HB3 . 51010 1 681 . 1 . 1 71 71 ASN C C 13 179.377 0.10 . 1 . . . . . 71 ASN C . 51010 1 682 . 1 . 1 71 71 ASN CA C 13 55.189 0.02 . 1 . . . . . 71 ASN CA . 51010 1 683 . 1 . 1 71 71 ASN CB C 13 37.421 0.12 . 1 . . . . . 71 ASN CB . 51010 1 684 . 1 . 1 71 71 ASN N N 15 116.342 0.11 . 1 . . . . . 71 ASN N . 51010 1 685 . 1 . 1 72 72 LYS H H 1 8.168 0.01 . 1 . . . . . 72 LYS H . 51010 1 686 . 1 . 1 72 72 LYS HA H 1 3.940 0.02 . 1 . . . . . 72 LYS HA . 51010 1 687 . 1 . 1 72 72 LYS HB2 H 1 1.668 0.01 . 2 . . . . . 72 LYS HB2 . 51010 1 688 . 1 . 1 72 72 LYS HB3 H 1 1.668 0.01 . 2 . . . . . 72 LYS HB3 . 51010 1 689 . 1 . 1 72 72 LYS C C 13 177.508 0.12 . 1 . . . . . 72 LYS C . 51010 1 690 . 1 . 1 72 72 LYS CA C 13 59.463 0.05 . 1 . . . . . 72 LYS CA . 51010 1 691 . 1 . 1 72 72 LYS CB C 13 32.902 0.13 . 1 . . . . . 72 LYS CB . 51010 1 692 . 1 . 1 72 72 LYS CG C 13 24.224 0.00 . 1 . . . . . 72 LYS CG . 51010 1 693 . 1 . 1 72 72 LYS CD C 13 29.395 0.00 . 1 . . . . . 72 LYS CD . 51010 1 694 . 1 . 1 72 72 LYS N N 15 121.910 0.12 . 1 . . . . . 72 LYS N . 51010 1 695 . 1 . 1 73 73 ASN H H 1 7.678 0.01 . 1 . . . . . 73 ASN H . 51010 1 696 . 1 . 1 73 73 ASN HA H 1 4.613 0.04 . 1 . . . . . 73 ASN HA . 51010 1 697 . 1 . 1 73 73 ASN HB2 H 1 2.830 0.07 . 2 . . . . . 73 ASN HB2 . 51010 1 698 . 1 . 1 73 73 ASN HB3 H 1 2.501 0.19 . 2 . . . . . 73 ASN HB3 . 51010 1 699 . 1 . 1 73 73 ASN C C 13 173.026 0.09 . 1 . . . . . 73 ASN C . 51010 1 700 . 1 . 1 73 73 ASN CA C 13 53.255 0.04 . 1 . . . . . 73 ASN CA . 51010 1 701 . 1 . 1 73 73 ASN CB C 13 38.850 0.16 . 1 . . . . . 73 ASN CB . 51010 1 702 . 1 . 1 73 73 ASN N N 15 112.824 0.08 . 1 . . . . . 73 ASN N . 51010 1 703 . 1 . 1 74 74 LYS H H 1 7.790 0.00 . 1 . . . . . 74 LYS H . 51010 1 704 . 1 . 1 74 74 LYS HA H 1 4.041 0.02 . 1 . . . . . 74 LYS HA . 51010 1 705 . 1 . 1 74 74 LYS HB2 H 1 1.853 0.11 . 2 . . . . . 74 LYS HB2 . 51010 1 706 . 1 . 1 74 74 LYS HB3 H 1 1.822 0.10 . 2 . . . . . 74 LYS HB3 . 51010 1 707 . 1 . 1 74 74 LYS HD2 H 1 1.601 0.16 . 2 . . . . . 74 LYS HD2 . 51010 1 708 . 1 . 1 74 74 LYS HD3 H 1 1.601 0.16 . 2 . . . . . 74 LYS HD3 . 51010 1 709 . 1 . 1 74 74 LYS C C 13 177.879 0.09 . 1 . . . . . 74 LYS C . 51010 1 710 . 1 . 1 74 74 LYS CA C 13 57.070 0.03 . 1 . . . . . 74 LYS CA . 51010 1 711 . 1 . 1 74 74 LYS CB C 13 29.257 0.12 . 1 . . . . . 74 LYS CB . 51010 1 712 . 1 . 1 74 74 LYS N N 15 118.407 0.10 . 1 . . . . . 74 LYS N . 51010 1 713 . 1 . 1 75 75 LYS H H 1 7.501 0.00 . 1 . . . . . 75 LYS H . 51010 1 714 . 1 . 1 75 75 LYS HA H 1 3.988 0.03 . 1 . . . . . 75 LYS HA . 51010 1 715 . 1 . 1 75 75 LYS HB2 H 1 1.400 0.03 . 2 . . . . . 75 LYS HB2 . 51010 1 716 . 1 . 1 75 75 LYS HB3 H 1 1.410 0.03 . 2 . . . . . 75 LYS HB3 . 51010 1 717 . 1 . 1 75 75 LYS HG2 H 1 1.446 0.00 . 2 . . . . . 75 LYS HG2 . 51010 1 718 . 1 . 1 75 75 LYS HG3 H 1 1.446 0.00 . 2 . . . . . 75 LYS HG3 . 51010 1 719 . 1 . 1 75 75 LYS C C 13 176.323 0.00 . 1 . . . . . 75 LYS C . 51010 1 720 . 1 . 1 75 75 LYS CA C 13 55.421 0.01 . 1 . . . . . 75 LYS CA . 51010 1 721 . 1 . 1 75 75 LYS CB C 13 34.193 0.00 . 1 . . . . . 75 LYS CB . 51010 1 722 . 1 . 1 75 75 LYS N N 15 114.692 0.10 . 1 . . . . . 75 LYS N . 51010 1 723 . 1 . 1 76 76 TRP H H 1 7.348 0.01 . 1 . . . . . 76 TRP H . 51010 1 724 . 1 . 1 76 76 TRP HB2 H 1 3.288 0.00 . 2 . . . . . 76 TRP HB2 . 51010 1 725 . 1 . 1 76 76 TRP HB3 H 1 3.288 0.00 . 2 . . . . . 76 TRP HB3 . 51010 1 726 . 1 . 1 76 76 TRP C C 13 177.342 0.00 . 1 . . . . . 76 TRP C . 51010 1 727 . 1 . 1 76 76 TRP CA C 13 58.211 0.46 . 1 . . . . . 76 TRP CA . 51010 1 728 . 1 . 1 76 76 TRP CB C 13 29.283 0.00 . 1 . . . . . 76 TRP CB . 51010 1 729 . 1 . 1 76 76 TRP N N 15 116.601 0.13 . 1 . . . . . 76 TRP N . 51010 1 730 . 1 . 1 77 77 ARG H H 1 8.259 0.01 . 1 . . . . . 77 ARG H . 51010 1 731 . 1 . 1 77 77 ARG HA H 1 4.087 0.01 . 1 . . . . . 77 ARG HA . 51010 1 732 . 1 . 1 77 77 ARG HB2 H 1 1.990 0.02 . 2 . . . . . 77 ARG HB2 . 51010 1 733 . 1 . 1 77 77 ARG HB3 H 1 1.990 0.02 . 2 . . . . . 77 ARG HB3 . 51010 1 734 . 1 . 1 77 77 ARG HG2 H 1 1.611 0.00 . 2 . . . . . 77 ARG HG2 . 51010 1 735 . 1 . 1 77 77 ARG HG3 H 1 1.611 0.00 . 2 . . . . . 77 ARG HG3 . 51010 1 736 . 1 . 1 77 77 ARG HD2 H 1 3.132 0.02 . 2 . . . . . 77 ARG HD2 . 51010 1 737 . 1 . 1 77 77 ARG HD3 H 1 3.132 0.02 . 2 . . . . . 77 ARG HD3 . 51010 1 738 . 1 . 1 77 77 ARG C C 13 177.818 0.16 . 1 . . . . . 77 ARG C . 51010 1 739 . 1 . 1 77 77 ARG CA C 13 55.740 0.02 . 1 . . . . . 77 ARG CA . 51010 1 740 . 1 . 1 77 77 ARG CB C 13 29.446 0.13 . 1 . . . . . 77 ARG CB . 51010 1 741 . 1 . 1 77 77 ARG N N 15 117.368 0.10 . 1 . . . . . 77 ARG N . 51010 1 742 . 1 . 1 78 78 GLU H H 1 8.305 0.01 . 1 . . . . . 78 GLU H . 51010 1 743 . 1 . 1 78 78 GLU HA H 1 3.878 0.04 . 1 . . . . . 78 GLU HA . 51010 1 744 . 1 . 1 78 78 GLU HB2 H 1 2.042 0.04 . 2 . . . . . 78 GLU HB2 . 51010 1 745 . 1 . 1 78 78 GLU HB3 H 1 2.042 0.04 . 2 . . . . . 78 GLU HB3 . 51010 1 746 . 1 . 1 78 78 GLU HG2 H 1 2.240 0.01 . 2 . . . . . 78 GLU HG2 . 51010 1 747 . 1 . 1 78 78 GLU HG3 H 1 2.240 0.01 . 2 . . . . . 78 GLU HG3 . 51010 1 748 . 1 . 1 78 78 GLU C C 13 178.784 0.20 . 1 . . . . . 78 GLU C . 51010 1 749 . 1 . 1 78 78 GLU CA C 13 59.394 0.15 . 1 . . . . . 78 GLU CA . 51010 1 750 . 1 . 1 78 78 GLU CB C 13 29.709 0.11 . 1 . . . . . 78 GLU CB . 51010 1 751 . 1 . 1 78 78 GLU CG C 13 36.375 0.00 . 1 . . . . . 78 GLU CG . 51010 1 752 . 1 . 1 78 78 GLU N N 15 125.474 0.22 . 1 . . . . . 78 GLU N . 51010 1 753 . 1 . 1 79 79 LEU H H 1 8.013 0.01 . 1 . . . . . 79 LEU H . 51010 1 754 . 1 . 1 79 79 LEU HA H 1 3.841 0.02 . 1 . . . . . 79 LEU HA . 51010 1 755 . 1 . 1 79 79 LEU HB2 H 1 1.745 0.02 . 2 . . . . . 79 LEU HB2 . 51010 1 756 . 1 . 1 79 79 LEU HB3 H 1 1.311 0.29 . 2 . . . . . 79 LEU HB3 . 51010 1 757 . 1 . 1 79 79 LEU HG H 1 1.311 0.29 . 1 . . . . . 79 LEU HG . 51010 1 758 . 1 . 1 79 79 LEU HD11 H 1 0.575 0.02 . 2 . . . . . 79 LEU HD1 . 51010 1 759 . 1 . 1 79 79 LEU HD12 H 1 0.575 0.02 . 2 . . . . . 79 LEU HD1 . 51010 1 760 . 1 . 1 79 79 LEU HD13 H 1 0.575 0.02 . 2 . . . . . 79 LEU HD1 . 51010 1 761 . 1 . 1 79 79 LEU HD21 H 1 0.575 0.02 . 2 . . . . . 79 LEU HD2 . 51010 1 762 . 1 . 1 79 79 LEU HD22 H 1 0.575 0.02 . 2 . . . . . 79 LEU HD2 . 51010 1 763 . 1 . 1 79 79 LEU HD23 H 1 0.575 0.02 . 2 . . . . . 79 LEU HD2 . 51010 1 764 . 1 . 1 79 79 LEU C C 13 178.086 0.07 . 1 . . . . . 79 LEU C . 51010 1 765 . 1 . 1 79 79 LEU CA C 13 58.170 0.01 . 1 . . . . . 79 LEU CA . 51010 1 766 . 1 . 1 79 79 LEU CB C 13 42.195 0.19 . 1 . . . . . 79 LEU CB . 51010 1 767 . 1 . 1 79 79 LEU CG C 13 27.506 0.00 . 1 . . . . . 79 LEU CG . 51010 1 768 . 1 . 1 79 79 LEU N N 15 119.243 0.18 . 1 . . . . . 79 LEU N . 51010 1 769 . 1 . 1 80 80 ALA H H 1 8.360 0.00 . 1 . . . . . 80 ALA H . 51010 1 770 . 1 . 1 80 80 ALA HA H 1 3.785 0.02 . 1 . . . . . 80 ALA HA . 51010 1 771 . 1 . 1 80 80 ALA HB1 H 1 1.375 0.03 . 1 . . . . . 80 ALA HB . 51010 1 772 . 1 . 1 80 80 ALA HB2 H 1 1.375 0.03 . 1 . . . . . 80 ALA HB . 51010 1 773 . 1 . 1 80 80 ALA HB3 H 1 1.375 0.03 . 1 . . . . . 80 ALA HB . 51010 1 774 . 1 . 1 80 80 ALA C C 13 179.254 0.08 . 1 . . . . . 80 ALA C . 51010 1 775 . 1 . 1 80 80 ALA CA C 13 55.652 0.02 . 1 . . . . . 80 ALA CA . 51010 1 776 . 1 . 1 80 80 ALA CB C 13 16.969 0.10 . 1 . . . . . 80 ALA CB . 51010 1 777 . 1 . 1 80 80 ALA N N 15 121.397 0.06 . 1 . . . . . 80 ALA N . 51010 1 778 . 1 . 1 81 81 THR H H 1 7.971 0.01 . 1 . . . . . 81 THR H . 51010 1 779 . 1 . 1 81 81 THR HA H 1 4.134 0.00 . 1 . . . . . 81 THR HA . 51010 1 780 . 1 . 1 81 81 THR HB H 1 3.921 0.00 . 1 . . . . . 81 THR HB . 51010 1 781 . 1 . 1 81 81 THR HG21 H 1 1.128 0.00 . 1 . . . . . 81 THR HG2 . 51010 1 782 . 1 . 1 81 81 THR HG22 H 1 1.128 0.00 . 1 . . . . . 81 THR HG2 . 51010 1 783 . 1 . 1 81 81 THR HG23 H 1 1.128 0.00 . 1 . . . . . 81 THR HG2 . 51010 1 784 . 1 . 1 81 81 THR C C 13 178.457 0.11 . 1 . . . . . 81 THR C . 51010 1 785 . 1 . 1 81 81 THR CA C 13 66.283 0.07 . 1 . . . . . 81 THR CA . 51010 1 786 . 1 . 1 81 81 THR CB C 13 68.850 0.09 . 1 . . . . . 81 THR CB . 51010 1 787 . 1 . 1 81 81 THR CG2 C 13 20.513 0.00 . 2 . . . . . 81 THR CG2 . 51010 1 788 . 1 . 1 81 81 THR N N 15 114.477 0.15 . 1 . . . . . 81 THR N . 51010 1 789 . 1 . 1 82 82 ASN H H 1 8.397 0.01 . 1 . . . . . 82 ASN H . 51010 1 790 . 1 . 1 82 82 ASN HA H 1 4.410 0.05 . 1 . . . . . 82 ASN HA . 51010 1 791 . 1 . 1 82 82 ASN HB2 H 1 2.773 0.01 . 2 . . . . . 82 ASN HB2 . 51010 1 792 . 1 . 1 82 82 ASN HB3 H 1 2.773 0.01 . 2 . . . . . 82 ASN HB3 . 51010 1 793 . 1 . 1 82 82 ASN C C 13 177.234 0.11 . 1 . . . . . 82 ASN C . 51010 1 794 . 1 . 1 82 82 ASN CA C 13 55.801 0.10 . 1 . . . . . 82 ASN CA . 51010 1 795 . 1 . 1 82 82 ASN CB C 13 38.080 0.18 . 1 . . . . . 82 ASN CB . 51010 1 796 . 1 . 1 82 82 ASN N N 15 122.520 0.02 . 1 . . . . . 82 ASN N . 51010 1 797 . 1 . 1 83 83 LEU H H 1 8.192 0.01 . 1 . . . . . 83 LEU H . 51010 1 798 . 1 . 1 83 83 LEU HA H 1 4.253 0.02 . 1 . . . . . 83 LEU HA . 51010 1 799 . 1 . 1 83 83 LEU HB2 H 1 1.741 0.01 . 2 . . . . . 83 LEU HB2 . 51010 1 800 . 1 . 1 83 83 LEU HB3 H 1 1.741 0.01 . 2 . . . . . 83 LEU HB3 . 51010 1 801 . 1 . 1 83 83 LEU HG H 1 1.739 0.01 . 1 . . . . . 83 LEU HG . 51010 1 802 . 1 . 1 83 83 LEU HD11 H 1 0.802 0.01 . 2 . . . . . 83 LEU HD1 . 51010 1 803 . 1 . 1 83 83 LEU HD12 H 1 0.802 0.01 . 2 . . . . . 83 LEU HD1 . 51010 1 804 . 1 . 1 83 83 LEU HD13 H 1 0.802 0.01 . 2 . . . . . 83 LEU HD1 . 51010 1 805 . 1 . 1 83 83 LEU HD21 H 1 0.802 0.01 . 2 . . . . . 83 LEU HD2 . 51010 1 806 . 1 . 1 83 83 LEU HD22 H 1 0.802 0.01 . 2 . . . . . 83 LEU HD2 . 51010 1 807 . 1 . 1 83 83 LEU HD23 H 1 0.802 0.01 . 2 . . . . . 83 LEU HD2 . 51010 1 808 . 1 . 1 83 83 LEU C C 13 175.898 0.13 . 1 . . . . . 83 LEU C . 51010 1 809 . 1 . 1 83 83 LEU CA C 13 54.492 0.09 . 1 . . . . . 83 LEU CA . 51010 1 810 . 1 . 1 83 83 LEU CB C 13 41.408 0.20 . 1 . . . . . 83 LEU CB . 51010 1 811 . 1 . 1 83 83 LEU CG C 13 26.921 0.00 . 1 . . . . . 83 LEU CG . 51010 1 812 . 1 . 1 83 83 LEU CD1 C 13 23.502 0.00 . 1 . . . . . 83 LEU CD1 . 51010 1 813 . 1 . 1 83 83 LEU CD2 C 13 23.502 0.00 . 1 . . . . . 83 LEU CD2 . 51010 1 814 . 1 . 1 83 83 LEU N N 15 118.889 0.17 . 1 . . . . . 83 LEU N . 51010 1 815 . 1 . 1 84 84 ASN H H 1 7.921 0.00 . 1 . . . . . 84 ASN H . 51010 1 816 . 1 . 1 84 84 ASN HA H 1 4.496 0.03 . 1 . . . . . 84 ASN HA . 51010 1 817 . 1 . 1 84 84 ASN HB2 H 1 3.197 0.01 . 2 . . . . . 84 ASN HB2 . 51010 1 818 . 1 . 1 84 84 ASN HB3 H 1 2.789 0.01 . 2 . . . . . 84 ASN HB3 . 51010 1 819 . 1 . 1 84 84 ASN C C 13 175.587 0.10 . 1 . . . . . 84 ASN C . 51010 1 820 . 1 . 1 84 84 ASN CA C 13 54.324 0.06 . 1 . . . . . 84 ASN CA . 51010 1 821 . 1 . 1 84 84 ASN CB C 13 36.998 0.15 . 1 . . . . . 84 ASN CB . 51010 1 822 . 1 . 1 84 84 ASN N N 15 114.755 0.07 . 1 . . . . . 84 ASN N . 51010 1 823 . 1 . 1 85 85 VAL H H 1 8.180 0.00 . 1 . . . . . 85 VAL H . 51010 1 824 . 1 . 1 85 85 VAL HA H 1 4.433 0.02 . 1 . . . . . 85 VAL HA . 51010 1 825 . 1 . 1 85 85 VAL HB H 1 2.401 0.03 . 1 . . . . . 85 VAL HB . 51010 1 826 . 1 . 1 85 85 VAL HG11 H 1 0.853 0.02 . 2 . . . . . 85 VAL HG1 . 51010 1 827 . 1 . 1 85 85 VAL HG12 H 1 0.853 0.02 . 2 . . . . . 85 VAL HG1 . 51010 1 828 . 1 . 1 85 85 VAL HG13 H 1 0.853 0.02 . 2 . . . . . 85 VAL HG1 . 51010 1 829 . 1 . 1 85 85 VAL HG21 H 1 0.882 0.00 . 2 . . . . . 85 VAL HG2 . 51010 1 830 . 1 . 1 85 85 VAL HG22 H 1 0.882 0.00 . 2 . . . . . 85 VAL HG2 . 51010 1 831 . 1 . 1 85 85 VAL HG23 H 1 0.882 0.00 . 2 . . . . . 85 VAL HG2 . 51010 1 832 . 1 . 1 85 85 VAL C C 13 174.871 0.09 . 1 . . . . . 85 VAL C . 51010 1 833 . 1 . 1 85 85 VAL CA C 13 61.017 0.01 . 1 . . . . . 85 VAL CA . 51010 1 834 . 1 . 1 85 85 VAL CB C 13 31.578 0.12 . 1 . . . . . 85 VAL CB . 51010 1 835 . 1 . 1 85 85 VAL CG1 C 13 21.331 0.00 . 2 . . . . . 85 VAL CG1 . 51010 1 836 . 1 . 1 85 85 VAL CG2 C 13 20.345 0.00 . 2 . . . . . 85 VAL CG2 . 51010 1 837 . 1 . 1 85 85 VAL N N 15 109.310 0.16 . 1 . . . . . 85 VAL N . 51010 1 838 . 1 . 1 86 86 GLY H H 1 7.543 0.01 . 1 . . . . . 86 GLY H . 51010 1 839 . 1 . 1 86 86 GLY HA2 H 1 4.352 0.01 . 2 . . . . . 86 GLY HA2 . 51010 1 840 . 1 . 1 86 86 GLY HA3 H 1 3.728 0.02 . 2 . . . . . 86 GLY HA3 . 51010 1 841 . 1 . 1 86 86 GLY C C 13 172.231 0.08 . 1 . . . . . 86 GLY C . 51010 1 842 . 1 . 1 86 86 GLY CA C 13 44.546 0.12 . 1 . . . . . 86 GLY CA . 51010 1 843 . 1 . 1 86 86 GLY N N 15 109.279 0.11 . 1 . . . . . 86 GLY N . 51010 1 844 . 1 . 1 87 87 THR H H 1 8.014 0.00 . 1 . . . . . 87 THR H . 51010 1 845 . 1 . 1 87 87 THR HA H 1 4.457 0.06 . 1 . . . . . 87 THR HA . 51010 1 846 . 1 . 1 87 87 THR HG21 H 1 1.217 0.00 . 1 . . . . . 87 THR HG2 . 51010 1 847 . 1 . 1 87 87 THR HG22 H 1 1.217 0.00 . 1 . . . . . 87 THR HG2 . 51010 1 848 . 1 . 1 87 87 THR HG23 H 1 1.217 0.00 . 1 . . . . . 87 THR HG2 . 51010 1 849 . 1 . 1 87 87 THR C C 13 175.333 0.10 . 1 . . . . . 87 THR C . 51010 1 850 . 1 . 1 87 87 THR CA C 13 60.497 0.22 . 1 . . . . . 87 THR CA . 51010 1 851 . 1 . 1 87 87 THR CB C 13 69.954 0.04 . 1 . . . . . 87 THR CB . 51010 1 852 . 1 . 1 87 87 THR CG2 C 13 21.383 0.00 . 2 . . . . . 87 THR CG2 . 51010 1 853 . 1 . 1 87 87 THR N N 15 104.641 0.17 . 1 . . . . . 87 THR N . 51010 1 854 . 1 . 1 88 88 SER H H 1 7.603 0.00 . 1 . . . . . 88 SER H . 51010 1 855 . 1 . 1 88 88 SER HA H 1 4.603 0.03 . 1 . . . . . 88 SER HA . 51010 1 856 . 1 . 1 88 88 SER C C 13 175.558 0.08 . 1 . . . . . 88 SER C . 51010 1 857 . 1 . 1 88 88 SER CA C 13 56.957 0.02 . 1 . . . . . 88 SER CA . 51010 1 858 . 1 . 1 88 88 SER CB C 13 66.122 0.06 . 1 . . . . . 88 SER CB . 51010 1 859 . 1 . 1 88 88 SER N N 15 116.882 0.13 . 1 . . . . . 88 SER N . 51010 1 860 . 1 . 1 89 89 SER H H 1 9.390 0.01 . 1 . . . . . 89 SER H . 51010 1 861 . 1 . 1 89 89 SER C C 13 177.231 0.00 . 1 . . . . . 89 SER C . 51010 1 862 . 1 . 1 89 89 SER CA C 13 56.844 0.00 . 1 . . . . . 89 SER CA . 51010 1 863 . 1 . 1 89 89 SER CB C 13 66.098 0.00 . 1 . . . . . 89 SER CB . 51010 1 864 . 1 . 1 89 89 SER N N 15 117.582 0.17 . 1 . . . . . 89 SER N . 51010 1 865 . 1 . 1 90 90 SER HA H 1 4.215 0.02 . 1 . . . . . 90 SER HA . 51010 1 866 . 1 . 1 90 90 SER HB2 H 1 3.843 0.01 . 2 . . . . . 90 SER HB2 . 51010 1 867 . 1 . 1 90 90 SER HB3 H 1 3.843 0.01 . 2 . . . . . 90 SER HB3 . 51010 1 868 . 1 . 1 90 90 SER C C 13 176.888 0.18 . 1 . . . . . 90 SER C . 51010 1 869 . 1 . 1 90 90 SER CA C 13 60.975 0.06 . 1 . . . . . 90 SER CA . 51010 1 870 . 1 . 1 90 90 SER CB C 13 62.248 0.00 . 1 . . . . . 90 SER CB . 51010 1 871 . 1 . 1 91 91 ALA H H 1 7.926 0.00 . 1 . . . . . 91 ALA H . 51010 1 872 . 1 . 1 91 91 ALA HA H 1 4.478 0.02 . 1 . . . . . 91 ALA HA . 51010 1 873 . 1 . 1 91 91 ALA HB1 H 1 1.324 0.02 . 1 . . . . . 91 ALA HB . 51010 1 874 . 1 . 1 91 91 ALA HB2 H 1 1.324 0.02 . 1 . . . . . 91 ALA HB . 51010 1 875 . 1 . 1 91 91 ALA HB3 H 1 1.324 0.02 . 1 . . . . . 91 ALA HB . 51010 1 876 . 1 . 1 91 91 ALA C C 13 178.872 0.09 . 1 . . . . . 91 ALA C . 51010 1 877 . 1 . 1 91 91 ALA CA C 13 55.138 0.15 . 1 . . . . . 91 ALA CA . 51010 1 878 . 1 . 1 91 91 ALA CB C 13 17.812 0.07 . 1 . . . . . 91 ALA CB . 51010 1 879 . 1 . 1 91 91 ALA N N 15 127.093 0.14 . 1 . . . . . 91 ALA N . 51010 1 880 . 1 . 1 92 92 ALA H H 1 7.555 0.00 . 1 . . . . . 92 ALA H . 51010 1 881 . 1 . 1 92 92 ALA HA H 1 3.804 0.02 . 1 . . . . . 92 ALA HA . 51010 1 882 . 1 . 1 92 92 ALA HB1 H 1 1.400 0.04 . 1 . . . . . 92 ALA HB . 51010 1 883 . 1 . 1 92 92 ALA HB2 H 1 1.400 0.04 . 1 . . . . . 92 ALA HB . 51010 1 884 . 1 . 1 92 92 ALA HB3 H 1 1.400 0.04 . 1 . . . . . 92 ALA HB . 51010 1 885 . 1 . 1 92 92 ALA C C 13 178.909 0.10 . 1 . . . . . 92 ALA C . 51010 1 886 . 1 . 1 92 92 ALA CA C 13 55.281 0.23 . 1 . . . . . 92 ALA CA . 51010 1 887 . 1 . 1 92 92 ALA CB C 13 18.183 0.06 . 1 . . . . . 92 ALA CB . 51010 1 888 . 1 . 1 92 92 ALA N N 15 119.256 0.14 . 1 . . . . . 92 ALA N . 51010 1 889 . 1 . 1 93 93 SER H H 1 8.046 0.00 . 1 . . . . . 93 SER H . 51010 1 890 . 1 . 1 93 93 SER HA H 1 4.405 0.05 . 1 . . . . . 93 SER HA . 51010 1 891 . 1 . 1 93 93 SER HB2 H 1 3.885 0.04 . 2 . . . . . 93 SER HB2 . 51010 1 892 . 1 . 1 93 93 SER HB3 H 1 3.905 0.07 . 2 . . . . . 93 SER HB3 . 51010 1 893 . 1 . 1 93 93 SER C C 13 177.536 0.19 . 1 . . . . . 93 SER C . 51010 1 894 . 1 . 1 93 93 SER CA C 13 61.239 0.14 . 1 . . . . . 93 SER CA . 51010 1 895 . 1 . 1 93 93 SER CB C 13 62.529 0.02 . 1 . . . . . 93 SER CB . 51010 1 896 . 1 . 1 93 93 SER N N 15 112.570 0.09 . 1 . . . . . 93 SER N . 51010 1 897 . 1 . 1 94 94 SER H H 1 8.183 0.01 . 1 . . . . . 94 SER H . 51010 1 898 . 1 . 1 94 94 SER HB2 H 1 3.907 0.02 . 2 . . . . . 94 SER HB2 . 51010 1 899 . 1 . 1 94 94 SER HB3 H 1 3.907 0.02 . 2 . . . . . 94 SER HB3 . 51010 1 900 . 1 . 1 94 94 SER C C 13 176.111 0.08 . 1 . . . . . 94 SER C . 51010 1 901 . 1 . 1 94 94 SER CA C 13 61.160 0.16 . 1 . . . . . 94 SER CA . 51010 1 902 . 1 . 1 94 94 SER CB C 13 62.761 0.02 . 1 . . . . . 94 SER CB . 51010 1 903 . 1 . 1 94 94 SER N N 15 118.525 0.21 . 1 . . . . . 94 SER N . 51010 1 904 . 1 . 1 95 95 LEU H H 1 8.201 0.01 . 1 . . . . . 95 LEU H . 51010 1 905 . 1 . 1 95 95 LEU HA H 1 3.808 0.03 . 1 . . . . . 95 LEU HA . 51010 1 906 . 1 . 1 95 95 LEU HB2 H 1 2.169 0.02 . 2 . . . . . 95 LEU HB2 . 51010 1 907 . 1 . 1 95 95 LEU HB3 H 1 1.483 0.02 . 2 . . . . . 95 LEU HB3 . 51010 1 908 . 1 . 1 95 95 LEU HG H 1 1.493 0.02 . 1 . . . . . 95 LEU HG . 51010 1 909 . 1 . 1 95 95 LEU HD11 H 1 1.038 0.01 . 2 . . . . . 95 LEU HD1 . 51010 1 910 . 1 . 1 95 95 LEU HD12 H 1 1.038 0.01 . 2 . . . . . 95 LEU HD1 . 51010 1 911 . 1 . 1 95 95 LEU HD13 H 1 1.038 0.01 . 2 . . . . . 95 LEU HD1 . 51010 1 912 . 1 . 1 95 95 LEU HD21 H 1 1.038 0.01 . 2 . . . . . 95 LEU HD2 . 51010 1 913 . 1 . 1 95 95 LEU HD22 H 1 1.038 0.01 . 2 . . . . . 95 LEU HD2 . 51010 1 914 . 1 . 1 95 95 LEU HD23 H 1 1.038 0.01 . 2 . . . . . 95 LEU HD2 . 51010 1 915 . 1 . 1 95 95 LEU C C 13 176.700 0.31 . 1 . . . . . 95 LEU C . 51010 1 916 . 1 . 1 95 95 LEU CA C 13 58.188 0.25 . 1 . . . . . 95 LEU CA . 51010 1 917 . 1 . 1 95 95 LEU CB C 13 41.816 0.14 . 1 . . . . . 95 LEU CB . 51010 1 918 . 1 . 1 95 95 LEU CG C 13 27.000 0.00 . 1 . . . . . 95 LEU CG . 51010 1 919 . 1 . 1 95 95 LEU N N 15 120.449 0.12 . 1 . . . . . 95 LEU N . 51010 1 920 . 1 . 1 96 96 LYS H H 1 7.252 0.00 . 1 . . . . . 96 LYS H . 51010 1 921 . 1 . 1 96 96 LYS HB2 H 1 1.673 0.47 . 2 . . . . . 96 LYS HB2 . 51010 1 922 . 1 . 1 96 96 LYS HB3 H 1 1.673 0.47 . 2 . . . . . 96 LYS HB3 . 51010 1 923 . 1 . 1 96 96 LYS C C 13 177.718 0.14 . 1 . . . . . 96 LYS C . 51010 1 924 . 1 . 1 96 96 LYS CA C 13 59.008 0.05 . 1 . . . . . 96 LYS CA . 51010 1 925 . 1 . 1 96 96 LYS CB C 13 31.757 0.12 . 1 . . . . . 96 LYS CB . 51010 1 926 . 1 . 1 96 96 LYS N N 15 119.690 0.09 . 1 . . . . . 96 LYS N . 51010 1 927 . 1 . 1 97 97 LYS H H 1 7.432 0.01 . 1 . . . . . 97 LYS H . 51010 1 928 . 1 . 1 97 97 LYS HA H 1 3.762 0.03 . 1 . . . . . 97 LYS HA . 51010 1 929 . 1 . 1 97 97 LYS HB2 H 1 1.946 0.01 . 2 . . . . . 97 LYS HB2 . 51010 1 930 . 1 . 1 97 97 LYS HB3 H 1 1.946 0.01 . 2 . . . . . 97 LYS HB3 . 51010 1 931 . 1 . 1 97 97 LYS HD2 H 1 1.621 0.01 . 2 . . . . . 97 LYS HD2 . 51010 1 932 . 1 . 1 97 97 LYS HD3 H 1 1.621 0.01 . 2 . . . . . 97 LYS HD3 . 51010 1 933 . 1 . 1 97 97 LYS HE2 H 1 2.914 0.01 . 2 . . . . . 97 LYS HE2 . 51010 1 934 . 1 . 1 97 97 LYS HE3 H 1 2.914 0.01 . 2 . . . . . 97 LYS HE3 . 51010 1 935 . 1 . 1 97 97 LYS C C 13 179.784 0.11 . 1 . . . . . 97 LYS C . 51010 1 936 . 1 . 1 97 97 LYS CA C 13 59.901 0.15 . 1 . . . . . 97 LYS CA . 51010 1 937 . 1 . 1 97 97 LYS CB C 13 32.189 0.09 . 1 . . . . . 97 LYS CB . 51010 1 938 . 1 . 1 97 97 LYS CG C 13 25.308 0.00 . 1 . . . . . 97 LYS CG . 51010 1 939 . 1 . 1 97 97 LYS CD C 13 29.690 0.00 . 1 . . . . . 97 LYS CD . 51010 1 940 . 1 . 1 97 97 LYS N N 15 116.888 0.08 . 1 . . . . . 97 LYS N . 51010 1 941 . 1 . 1 98 98 GLN H H 1 8.404 0.00 . 1 . . . . . 98 GLN H . 51010 1 942 . 1 . 1 98 98 GLN HA H 1 4.804 0.03 . 1 . . . . . 98 GLN HA . 51010 1 943 . 1 . 1 98 98 GLN HB2 H 1 2.174 0.08 . 2 . . . . . 98 GLN HB2 . 51010 1 944 . 1 . 1 98 98 GLN HB3 H 1 2.174 0.08 . 2 . . . . . 98 GLN HB3 . 51010 1 945 . 1 . 1 98 98 GLN C C 13 178.969 0.10 . 1 . . . . . 98 GLN C . 51010 1 946 . 1 . 1 98 98 GLN CA C 13 57.852 0.20 . 1 . . . . . 98 GLN CA . 51010 1 947 . 1 . 1 98 98 GLN CB C 13 28.929 0.07 . 1 . . . . . 98 GLN CB . 51010 1 948 . 1 . 1 98 98 GLN CG C 13 33.001 0.00 . 1 . . . . . 98 GLN CG . 51010 1 949 . 1 . 1 98 98 GLN N N 15 117.391 0.09 . 1 . . . . . 98 GLN N . 51010 1 950 . 1 . 1 99 99 TYR H H 1 8.990 0.01 . 1 . . . . . 99 TYR H . 51010 1 951 . 1 . 1 99 99 TYR HA H 1 3.777 0.04 . 1 . . . . . 99 TYR HA . 51010 1 952 . 1 . 1 99 99 TYR C C 13 178.925 0.09 . 1 . . . . . 99 TYR C . 51010 1 953 . 1 . 1 99 99 TYR CA C 13 63.641 0.02 . 1 . . . . . 99 TYR CA . 51010 1 954 . 1 . 1 99 99 TYR CB C 13 39.257 0.22 . 1 . . . . . 99 TYR CB . 51010 1 955 . 1 . 1 99 99 TYR N N 15 121.890 0.15 . 1 . . . . . 99 TYR N . 51010 1 956 . 1 . 1 100 100 ILE H H 1 8.590 0.00 . 1 . . . . . 100 ILE H . 51010 1 957 . 1 . 1 100 100 ILE HA H 1 3.655 0.03 . 1 . . . . . 100 ILE HA . 51010 1 958 . 1 . 1 100 100 ILE HB H 1 1.851 0.02 . 1 . . . . . 100 ILE HB . 51010 1 959 . 1 . 1 100 100 ILE C C 13 177.384 0.12 . 1 . . . . . 100 ILE C . 51010 1 960 . 1 . 1 100 100 ILE CA C 13 66.629 0.00 . 1 . . . . . 100 ILE CA . 51010 1 961 . 1 . 1 100 100 ILE CB C 13 38.055 0.05 . 1 . . . . . 100 ILE CB . 51010 1 962 . 1 . 1 100 100 ILE CG2 C 13 18.085 0.00 . 2 . . . . . 100 ILE CG2 . 51010 1 963 . 1 . 1 100 100 ILE N N 15 120.955 0.12 . 1 . . . . . 100 ILE N . 51010 1 964 . 1 . 1 101 101 GLN H H 1 8.308 0.01 . 1 . . . . . 101 GLN H . 51010 1 965 . 1 . 1 101 101 GLN HA H 1 4.023 0.02 . 1 . . . . . 101 GLN HA . 51010 1 966 . 1 . 1 101 101 GLN HB2 H 1 2.000 0.11 . 2 . . . . . 101 GLN HB2 . 51010 1 967 . 1 . 1 101 101 GLN HB3 H 1 2.000 0.11 . 2 . . . . . 101 GLN HB3 . 51010 1 968 . 1 . 1 101 101 GLN C C 13 177.529 0.05 . 1 . . . . . 101 GLN C . 51010 1 969 . 1 . 1 101 101 GLN CA C 13 58.762 0.20 . 1 . . . . . 101 GLN CA . 51010 1 970 . 1 . 1 101 101 GLN CB C 13 29.045 0.08 . 1 . . . . . 101 GLN CB . 51010 1 971 . 1 . 1 101 101 GLN CG C 13 33.053 0.00 . 1 . . . . . 101 GLN CG . 51010 1 972 . 1 . 1 101 101 GLN N N 15 117.218 0.15 . 1 . . . . . 101 GLN N . 51010 1 973 . 1 . 1 102 102 TYR H H 1 8.624 0.01 . 1 . . . . . 102 TYR H . 51010 1 974 . 1 . 1 102 102 TYR HA H 1 4.616 0.04 . 1 . . . . . 102 TYR HA . 51010 1 975 . 1 . 1 102 102 TYR HB2 H 1 2.878 0.01 . 2 . . . . . 102 TYR HB2 . 51010 1 976 . 1 . 1 102 102 TYR HB3 H 1 2.878 0.01 . 2 . . . . . 102 TYR HB3 . 51010 1 977 . 1 . 1 102 102 TYR C C 13 178.509 0.19 . 1 . . . . . 102 TYR C . 51010 1 978 . 1 . 1 102 102 TYR CA C 13 61.562 0.08 . 1 . . . . . 102 TYR CA . 51010 1 979 . 1 . 1 102 102 TYR CB C 13 39.755 0.03 . 1 . . . . . 102 TYR CB . 51010 1 980 . 1 . 1 102 102 TYR N N 15 110.839 0.11 . 1 . . . . . 102 TYR N . 51010 1 981 . 1 . 1 103 103 LEU H H 1 8.890 0.01 . 1 . . . . . 103 LEU H . 51010 1 982 . 1 . 1 103 103 LEU C C 13 177.280 0.11 . 1 . . . . . 103 LEU C . 51010 1 983 . 1 . 1 103 103 LEU CA C 13 55.915 0.02 . 1 . . . . . 103 LEU CA . 51010 1 984 . 1 . 1 103 103 LEU CB C 13 45.186 0.00 . 1 . . . . . 103 LEU CB . 51010 1 985 . 1 . 1 103 103 LEU N N 15 119.287 0.08 . 1 . . . . . 103 LEU N . 51010 1 986 . 1 . 1 104 104 PHE H H 1 7.781 0.00 . 1 . . . . . 104 PHE H . 51010 1 987 . 1 . 1 104 104 PHE HA H 1 4.798 0.03 . 1 . . . . . 104 PHE HA . 51010 1 988 . 1 . 1 104 104 PHE HB2 H 1 3.339 0.02 . 2 . . . . . 104 PHE HB2 . 51010 1 989 . 1 . 1 104 104 PHE HB3 H 1 3.339 0.02 . 2 . . . . . 104 PHE HB3 . 51010 1 990 . 1 . 1 104 104 PHE C C 13 176.659 0.08 . 1 . . . . . 104 PHE C . 51010 1 991 . 1 . 1 104 104 PHE CA C 13 60.828 0.02 . 1 . . . . . 104 PHE CA . 51010 1 992 . 1 . 1 104 104 PHE CB C 13 40.352 0.14 . 1 . . . . . 104 PHE CB . 51010 1 993 . 1 . 1 104 104 PHE N N 15 120.167 0.15 . 1 . . . . . 104 PHE N . 51010 1 994 . 1 . 1 105 105 ALA H H 1 9.456 0.01 . 1 . . . . . 105 ALA H . 51010 1 995 . 1 . 1 105 105 ALA HA H 1 3.833 0.01 . 1 . . . . . 105 ALA HA . 51010 1 996 . 1 . 1 105 105 ALA HB1 H 1 1.613 0.04 . 1 . . . . . 105 ALA HB . 51010 1 997 . 1 . 1 105 105 ALA HB2 H 1 1.613 0.04 . 1 . . . . . 105 ALA HB . 51010 1 998 . 1 . 1 105 105 ALA HB3 H 1 1.613 0.04 . 1 . . . . . 105 ALA HB . 51010 1 999 . 1 . 1 105 105 ALA C C 13 178.899 0.07 . 1 . . . . . 105 ALA C . 51010 1 1000 . 1 . 1 105 105 ALA CA C 13 56.507 0.10 . 1 . . . . . 105 ALA CA . 51010 1 1001 . 1 . 1 105 105 ALA CB C 13 16.516 0.10 . 1 . . . . . 105 ALA CB . 51010 1 1002 . 1 . 1 105 105 ALA N N 15 122.515 0.16 . 1 . . . . . 105 ALA N . 51010 1 1003 . 1 . 1 106 106 PHE H H 1 8.388 0.01 . 1 . . . . . 106 PHE H . 51010 1 1004 . 1 . 1 106 106 PHE HA H 1 3.707 0.02 . 1 . . . . . 106 PHE HA . 51010 1 1005 . 1 . 1 106 106 PHE HB2 H 1 2.900 0.13 . 2 . . . . . 106 PHE HB2 . 51010 1 1006 . 1 . 1 106 106 PHE HB3 H 1 2.900 0.13 . 2 . . . . . 106 PHE HB3 . 51010 1 1007 . 1 . 1 106 106 PHE C C 13 175.864 0.14 . 1 . . . . . 106 PHE C . 51010 1 1008 . 1 . 1 106 106 PHE CA C 13 61.096 0.03 . 1 . . . . . 106 PHE CA . 51010 1 1009 . 1 . 1 106 106 PHE CB C 13 38.148 0.19 . 1 . . . . . 106 PHE CB . 51010 1 1010 . 1 . 1 106 106 PHE N N 15 120.985 0.08 . 1 . . . . . 106 PHE N . 51010 1 1011 . 1 . 1 107 107 GLU H H 1 8.821 0.02 . 1 . . . . . 107 GLU H . 51010 1 1012 . 1 . 1 107 107 GLU HA H 1 4.120 0.01 . 1 . . . . . 107 GLU HA . 51010 1 1013 . 1 . 1 107 107 GLU C C 13 178.923 0.11 . 1 . . . . . 107 GLU C . 51010 1 1014 . 1 . 1 107 107 GLU CA C 13 59.228 0.05 . 1 . . . . . 107 GLU CA . 51010 1 1015 . 1 . 1 107 107 GLU CB C 13 29.575 0.00 . 1 . . . . . 107 GLU CB . 51010 1 1016 . 1 . 1 107 107 GLU CG C 13 35.161 0.00 . 1 . . . . . 107 GLU CG . 51010 1 1017 . 1 . 1 107 107 GLU N N 15 120.043 0.23 . 1 . . . . . 107 GLU N . 51010 1 1018 . 1 . 1 108 108 CYS H H 1 8.131 0.02 . 1 . . . . . 108 CYS H . 51010 1 1019 . 1 . 1 108 108 CYS HA H 1 4.418 0.03 . 1 . . . . . 108 CYS HA . 51010 1 1020 . 1 . 1 108 108 CYS HB2 H 1 2.965 0.20 . 2 . . . . . 108 CYS HB2 . 51010 1 1021 . 1 . 1 108 108 CYS HB3 H 1 2.881 0.20 . 2 . . . . . 108 CYS HB3 . 51010 1 1022 . 1 . 1 108 108 CYS C C 13 177.462 0.11 . 1 . . . . . 108 CYS C . 51010 1 1023 . 1 . 1 108 108 CYS CA C 13 58.760 0.00 . 1 . . . . . 108 CYS CA . 51010 1 1024 . 1 . 1 108 108 CYS CB C 13 27.016 0.09 . 1 . . . . . 108 CYS CB . 51010 1 1025 . 1 . 1 108 108 CYS N N 15 114.235 0.11 . 1 . . . . . 108 CYS N . 51010 1 1026 . 1 . 1 109 109 LYS H H 1 7.988 0.01 . 1 . . . . . 109 LYS H . 51010 1 1027 . 1 . 1 109 109 LYS HA H 1 4.024 0.02 . 1 . . . . . 109 LYS HA . 51010 1 1028 . 1 . 1 109 109 LYS HB2 H 1 1.619 0.04 . 2 . . . . . 109 LYS HB2 . 51010 1 1029 . 1 . 1 109 109 LYS HB3 H 1 1.619 0.04 . 2 . . . . . 109 LYS HB3 . 51010 1 1030 . 1 . 1 109 109 LYS C C 13 178.834 0.02 . 1 . . . . . 109 LYS C . 51010 1 1031 . 1 . 1 109 109 LYS CA C 13 58.418 0.03 . 1 . . . . . 109 LYS CA . 51010 1 1032 . 1 . 1 109 109 LYS CB C 13 32.135 0.15 . 1 . . . . . 109 LYS CB . 51010 1 1033 . 1 . 1 109 109 LYS N N 15 120.265 0.14 . 1 . . . . . 109 LYS N . 51010 1 1034 . 1 . 1 110 110 ILE H H 1 8.713 0.04 . 1 . . . . . 110 ILE H . 51010 1 1035 . 1 . 1 110 110 ILE HA H 1 3.659 0.03 . 1 . . . . . 110 ILE HA . 51010 1 1036 . 1 . 1 110 110 ILE HB H 1 1.377 0.01 . 1 . . . . . 110 ILE HB . 51010 1 1037 . 1 . 1 110 110 ILE HD11 H 1 0.433 0.02 . 2 . . . . . 110 ILE HD1 . 51010 1 1038 . 1 . 1 110 110 ILE HD12 H 1 0.433 0.02 . 2 . . . . . 110 ILE HD1 . 51010 1 1039 . 1 . 1 110 110 ILE HD13 H 1 0.433 0.02 . 2 . . . . . 110 ILE HD1 . 51010 1 1040 . 1 . 1 110 110 ILE C C 13 178.529 0.09 . 1 . . . . . 110 ILE C . 51010 1 1041 . 1 . 1 110 110 ILE CA C 13 62.194 0.06 . 1 . . . . . 110 ILE CA . 51010 1 1042 . 1 . 1 110 110 ILE CB C 13 35.700 0.08 . 1 . . . . . 110 ILE CB . 51010 1 1043 . 1 . 1 110 110 ILE CG2 C 13 19.012 0.00 . 2 . . . . . 110 ILE CG2 . 51010 1 1044 . 1 . 1 110 110 ILE N N 15 119.160 0.07 . 1 . . . . . 110 ILE N . 51010 1 1045 . 1 . 1 111 111 GLU H H 1 8.145 0.02 . 1 . . . . . 111 GLU H . 51010 1 1046 . 1 . 1 111 111 GLU HA H 1 4.484 0.03 . 1 . . . . . 111 GLU HA . 51010 1 1047 . 1 . 1 111 111 GLU HB2 H 1 2.251 0.10 . 2 . . . . . 111 GLU HB2 . 51010 1 1048 . 1 . 1 111 111 GLU HB3 H 1 2.251 0.10 . 2 . . . . . 111 GLU HB3 . 51010 1 1049 . 1 . 1 111 111 GLU HG2 H 1 2.582 0.00 . 2 . . . . . 111 GLU HG2 . 51010 1 1050 . 1 . 1 111 111 GLU HG3 H 1 2.582 0.00 . 2 . . . . . 111 GLU HG3 . 51010 1 1051 . 1 . 1 111 111 GLU C C 13 179.281 0.10 . 1 . . . . . 111 GLU C . 51010 1 1052 . 1 . 1 111 111 GLU CA C 13 56.794 0.01 . 1 . . . . . 111 GLU CA . 51010 1 1053 . 1 . 1 111 111 GLU CB C 13 28.892 0.05 . 1 . . . . . 111 GLU CB . 51010 1 1054 . 1 . 1 111 111 GLU CG C 13 34.756 0.00 . 1 . . . . . 111 GLU CG . 51010 1 1055 . 1 . 1 111 111 GLU N N 15 114.952 0.14 . 1 . . . . . 111 GLU N . 51010 1 1056 . 1 . 1 112 112 ARG H H 1 6.729 0.01 . 1 . . . . . 112 ARG H . 51010 1 1057 . 1 . 1 112 112 ARG HA H 1 4.641 0.03 . 1 . . . . . 112 ARG HA . 51010 1 1058 . 1 . 1 112 112 ARG HB2 H 1 1.955 0.01 . 2 . . . . . 112 ARG HB2 . 51010 1 1059 . 1 . 1 112 112 ARG HB3 H 1 1.955 0.01 . 2 . . . . . 112 ARG HB3 . 51010 1 1060 . 1 . 1 112 112 ARG C C 13 176.498 0.10 . 1 . . . . . 112 ARG C . 51010 1 1061 . 1 . 1 112 112 ARG CA C 13 55.752 0.01 . 1 . . . . . 112 ARG CA . 51010 1 1062 . 1 . 1 112 112 ARG CB C 13 33.227 0.01 . 1 . . . . . 112 ARG CB . 51010 1 1063 . 1 . 1 112 112 ARG N N 15 112.581 0.09 . 1 . . . . . 112 ARG N . 51010 1 1064 . 1 . 1 113 113 GLY H H 1 7.571 0.00 . 1 . . . . . 113 GLY H . 51010 1 1065 . 1 . 1 113 113 GLY HA2 H 1 4.087 0.09 . 2 . . . . . 113 GLY HA2 . 51010 1 1066 . 1 . 1 113 113 GLY HA3 H 1 3.971 0.03 . 2 . . . . . 113 GLY HA3 . 51010 1 1067 . 1 . 1 113 113 GLY C C 13 174.523 0.10 . 1 . . . . . 113 GLY C . 51010 1 1068 . 1 . 1 113 113 GLY CA C 13 46.847 0.17 . 1 . . . . . 113 GLY CA . 51010 1 1069 . 1 . 1 113 113 GLY N N 15 110.411 0.09 . 1 . . . . . 113 GLY N . 51010 1 1070 . 1 . 1 114 114 GLU H H 1 7.794 0.00 . 1 . . . . . 114 GLU H . 51010 1 1071 . 1 . 1 114 114 GLU HA H 1 4.570 0.02 . 1 . . . . . 114 GLU HA . 51010 1 1072 . 1 . 1 114 114 GLU HB2 H 1 1.942 0.18 . 2 . . . . . 114 GLU HB2 . 51010 1 1073 . 1 . 1 114 114 GLU HB3 H 1 1.942 0.18 . 2 . . . . . 114 GLU HB3 . 51010 1 1074 . 1 . 1 114 114 GLU HG2 H 1 2.154 0.00 . 2 . . . . . 114 GLU HG2 . 51010 1 1075 . 1 . 1 114 114 GLU HG3 H 1 2.154 0.00 . 2 . . . . . 114 GLU HG3 . 51010 1 1076 . 1 . 1 114 114 GLU C C 13 175.399 0.17 . 1 . . . . . 114 GLU C . 51010 1 1077 . 1 . 1 114 114 GLU CA C 13 54.141 0.20 . 1 . . . . . 114 GLU CA . 51010 1 1078 . 1 . 1 114 114 GLU CB C 13 33.179 0.01 . 1 . . . . . 114 GLU CB . 51010 1 1079 . 1 . 1 114 114 GLU CG C 13 35.332 0.00 . 1 . . . . . 114 GLU CG . 51010 1 1080 . 1 . 1 114 114 GLU N N 15 119.845 0.09 . 1 . . . . . 114 GLU N . 51010 1 1081 . 1 . 1 115 115 GLU H H 1 8.251 0.01 . 1 . . . . . 115 GLU H . 51010 1 1082 . 1 . 1 115 115 GLU C C 13 174.886 0.00 . 1 . . . . . 115 GLU C . 51010 1 1083 . 1 . 1 115 115 GLU CA C 13 53.991 0.00 . 1 . . . . . 115 GLU CA . 51010 1 1084 . 1 . 1 115 115 GLU CB C 13 29.614 0.00 . 1 . . . . . 115 GLU CB . 51010 1 1085 . 1 . 1 115 115 GLU N N 15 119.488 0.08 . 1 . . . . . 115 GLU N . 51010 1 1086 . 1 . 1 118 118 PRO HA H 1 4.388 0.03 . 1 . . . . . 118 PRO HA . 51010 1 1087 . 1 . 1 118 118 PRO HB2 H 1 2.403 0.07 . 2 . . . . . 118 PRO HB2 . 51010 1 1088 . 1 . 1 118 118 PRO HB3 H 1 2.425 0.07 . 2 . . . . . 118 PRO HB3 . 51010 1 1089 . 1 . 1 118 118 PRO HG2 H 1 2.040 0.01 . 2 . . . . . 118 PRO HG2 . 51010 1 1090 . 1 . 1 118 118 PRO HG3 H 1 2.040 0.01 . 2 . . . . . 118 PRO HG3 . 51010 1 1091 . 1 . 1 118 118 PRO C C 13 178.304 0.00 . 1 . . . . . 118 PRO C . 51010 1 1092 . 1 . 1 118 118 PRO CA C 13 63.785 0.31 . 1 . . . . . 118 PRO CA . 51010 1 1093 . 1 . 1 118 118 PRO CB C 13 32.128 0.07 . 1 . . . . . 118 PRO CB . 51010 1 1094 . 1 . 1 118 118 PRO CG C 13 27.924 0.00 . 1 . . . . . 118 PRO CG . 51010 1 1095 . 1 . 1 119 119 GLU H H 1 9.006 0.00 . 1 . . . . . 119 GLU H . 51010 1 1096 . 1 . 1 119 119 GLU HA H 1 4.179 0.03 . 1 . . . . . 119 GLU HA . 51010 1 1097 . 1 . 1 119 119 GLU HB2 H 1 2.057 0.10 . 2 . . . . . 119 GLU HB2 . 51010 1 1098 . 1 . 1 119 119 GLU HB3 H 1 2.057 0.10 . 2 . . . . . 119 GLU HB3 . 51010 1 1099 . 1 . 1 119 119 GLU HG2 H 1 2.252 0.01 . 2 . . . . . 119 GLU HG2 . 51010 1 1100 . 1 . 1 119 119 GLU HG3 H 1 2.252 0.01 . 2 . . . . . 119 GLU HG3 . 51010 1 1101 . 1 . 1 119 119 GLU C C 13 177.423 0.09 . 1 . . . . . 119 GLU C . 51010 1 1102 . 1 . 1 119 119 GLU CA C 13 57.813 0.24 . 1 . . . . . 119 GLU CA . 51010 1 1103 . 1 . 1 119 119 GLU CB C 13 29.155 0.04 . 1 . . . . . 119 GLU CB . 51010 1 1104 . 1 . 1 119 119 GLU CG C 13 35.957 0.00 . 1 . . . . . 119 GLU CG . 51010 1 1105 . 1 . 1 119 119 GLU N N 15 118.696 0.12 . 1 . . . . . 119 GLU N . 51010 1 1106 . 1 . 1 120 120 VAL H H 1 7.700 0.01 . 1 . . . . . 120 VAL H . 51010 1 1107 . 1 . 1 120 120 VAL HA H 1 3.825 0.02 . 1 . . . . . 120 VAL HA . 51010 1 1108 . 1 . 1 120 120 VAL HB H 1 1.808 0.03 . 1 . . . . . 120 VAL HB . 51010 1 1109 . 1 . 1 120 120 VAL HG11 H 1 0.808 0.01 . 2 . . . . . 120 VAL HG1 . 51010 1 1110 . 1 . 1 120 120 VAL HG12 H 1 0.808 0.01 . 2 . . . . . 120 VAL HG1 . 51010 1 1111 . 1 . 1 120 120 VAL HG13 H 1 0.808 0.01 . 2 . . . . . 120 VAL HG1 . 51010 1 1112 . 1 . 1 120 120 VAL HG21 H 1 0.508 0.00 . 2 . . . . . 120 VAL HG2 . 51010 1 1113 . 1 . 1 120 120 VAL HG22 H 1 0.508 0.00 . 2 . . . . . 120 VAL HG2 . 51010 1 1114 . 1 . 1 120 120 VAL HG23 H 1 0.508 0.00 . 2 . . . . . 120 VAL HG2 . 51010 1 1115 . 1 . 1 120 120 VAL C C 13 176.188 0.08 . 1 . . . . . 120 VAL C . 51010 1 1116 . 1 . 1 120 120 VAL CA C 13 63.295 0.24 . 1 . . . . . 120 VAL CA . 51010 1 1117 . 1 . 1 120 120 VAL CB C 13 32.219 0.04 . 1 . . . . . 120 VAL CB . 51010 1 1118 . 1 . 1 120 120 VAL CG1 C 13 21.057 0.00 . 2 . . . . . 120 VAL CG1 . 51010 1 1119 . 1 . 1 120 120 VAL CG2 C 13 21.057 0.00 . 2 . . . . . 120 VAL CG2 . 51010 1 1120 . 1 . 1 120 120 VAL N N 15 119.687 0.08 . 1 . . . . . 120 VAL N . 51010 1 1121 . 1 . 1 121 121 PHE H H 1 7.737 0.01 . 1 . . . . . 121 PHE H . 51010 1 1122 . 1 . 1 121 121 PHE HA H 1 4.497 0.04 . 1 . . . . . 121 PHE HA . 51010 1 1123 . 1 . 1 121 121 PHE HB2 H 1 3.241 0.02 . 2 . . . . . 121 PHE HB2 . 51010 1 1124 . 1 . 1 121 121 PHE HB3 H 1 2.954 0.02 . 2 . . . . . 121 PHE HB3 . 51010 1 1125 . 1 . 1 121 121 PHE C C 13 176.002 0.10 . 1 . . . . . 121 PHE C . 51010 1 1126 . 1 . 1 121 121 PHE CA C 13 58.183 0.00 . 1 . . . . . 121 PHE CA . 51010 1 1127 . 1 . 1 121 121 PHE CB C 13 39.271 0.17 . 1 . . . . . 121 PHE CB . 51010 1 1128 . 1 . 1 121 121 PHE N N 15 119.808 0.07 . 1 . . . . . 121 PHE N . 51010 1 1129 . 1 . 1 122 122 SER H H 1 8.013 0.01 . 1 . . . . . 122 SER H . 51010 1 1130 . 1 . 1 122 122 SER HA H 1 4.493 0.03 . 1 . . . . . 122 SER HA . 51010 1 1131 . 1 . 1 122 122 SER HB2 H 1 3.841 0.01 . 2 . . . . . 122 SER HB2 . 51010 1 1132 . 1 . 1 122 122 SER HB3 H 1 3.841 0.01 . 2 . . . . . 122 SER HB3 . 51010 1 1133 . 1 . 1 122 122 SER C C 13 175.024 0.13 . 1 . . . . . 122 SER C . 51010 1 1134 . 1 . 1 122 122 SER CA C 13 58.185 0.17 . 1 . . . . . 122 SER CA . 51010 1 1135 . 1 . 1 122 122 SER CB C 13 63.605 0.28 . 1 . . . . . 122 SER CB . 51010 1 1136 . 1 . 1 122 122 SER N N 15 115.663 0.05 . 1 . . . . . 122 SER N . 51010 1 1137 . 1 . 1 123 123 THR H H 1 8.192 0.01 . 1 . . . . . 123 THR H . 51010 1 1138 . 1 . 1 123 123 THR HA H 1 4.277 0.04 . 1 . . . . . 123 THR HA . 51010 1 1139 . 1 . 1 123 123 THR HB H 1 3.755 0.13 . 1 . . . . . 123 THR HB . 51010 1 1140 . 1 . 1 123 123 THR HG21 H 1 1.204 0.01 . 1 . . . . . 123 THR HG2 . 51010 1 1141 . 1 . 1 123 123 THR HG22 H 1 1.204 0.01 . 1 . . . . . 123 THR HG2 . 51010 1 1142 . 1 . 1 123 123 THR HG23 H 1 1.204 0.01 . 1 . . . . . 123 THR HG2 . 51010 1 1143 . 1 . 1 123 123 THR C C 13 175.161 0.08 . 1 . . . . . 123 THR C . 51010 1 1144 . 1 . 1 123 123 THR CA C 13 61.905 0.29 . 1 . . . . . 123 THR CA . 51010 1 1145 . 1 . 1 123 123 THR CB C 13 69.677 0.36 . 1 . . . . . 123 THR CB . 51010 1 1146 . 1 . 1 123 123 THR CG2 C 13 21.405 0.00 . 2 . . . . . 123 THR CG2 . 51010 1 1147 . 1 . 1 123 123 THR N N 15 114.802 0.13 . 1 . . . . . 123 THR N . 51010 1 1148 . 1 . 1 124 124 GLY H H 1 8.331 0.01 . 1 . . . . . 124 GLY H . 51010 1 1149 . 1 . 1 124 124 GLY HA2 H 1 3.907 0.02 . 2 . . . . . 124 GLY HA2 . 51010 1 1150 . 1 . 1 124 124 GLY HA3 H 1 3.708 0.12 . 2 . . . . . 124 GLY HA3 . 51010 1 1151 . 1 . 1 124 124 GLY C C 13 173.974 0.14 . 1 . . . . . 124 GLY C . 51010 1 1152 . 1 . 1 124 124 GLY CA C 13 45.350 0.18 . 1 . . . . . 124 GLY CA . 51010 1 1153 . 1 . 1 124 124 GLY N N 15 110.704 0.15 . 1 . . . . . 124 GLY N . 51010 1 1154 . 1 . 1 125 125 ASP H H 1 8.199 0.00 . 1 . . . . . 125 ASP H . 51010 1 1155 . 1 . 1 125 125 ASP HA H 1 4.608 0.03 . 1 . . . . . 125 ASP HA . 51010 1 1156 . 1 . 1 125 125 ASP HB2 H 1 2.695 0.09 . 2 . . . . . 125 ASP HB2 . 51010 1 1157 . 1 . 1 125 125 ASP HB3 H 1 2.620 0.02 . 2 . . . . . 125 ASP HB3 . 51010 1 1158 . 1 . 1 125 125 ASP C C 13 176.450 0.11 . 1 . . . . . 125 ASP C . 51010 1 1159 . 1 . 1 125 125 ASP CA C 13 54.141 0.18 . 1 . . . . . 125 ASP CA . 51010 1 1160 . 1 . 1 125 125 ASP CB C 13 41.514 0.19 . 1 . . . . . 125 ASP CB . 51010 1 1161 . 1 . 1 125 125 ASP N N 15 120.394 0.09 . 1 . . . . . 125 ASP N . 51010 1 1162 . 1 . 1 126 126 THR H H 1 8.133 0.01 . 1 . . . . . 126 THR H . 51010 1 1163 . 1 . 1 126 126 THR HA H 1 4.233 0.02 . 1 . . . . . 126 THR HA . 51010 1 1164 . 1 . 1 126 126 THR HB H 1 3.965 0.01 . 1 . . . . . 126 THR HB . 51010 1 1165 . 1 . 1 126 126 THR HG21 H 1 1.137 0.01 . 1 . . . . . 126 THR HG2 . 51010 1 1166 . 1 . 1 126 126 THR HG22 H 1 1.137 0.01 . 1 . . . . . 126 THR HG2 . 51010 1 1167 . 1 . 1 126 126 THR HG23 H 1 1.137 0.01 . 1 . . . . . 126 THR HG2 . 51010 1 1168 . 1 . 1 126 126 THR C C 13 174.848 0.09 . 1 . . . . . 126 THR C . 51010 1 1169 . 1 . 1 126 126 THR CA C 13 61.666 0.21 . 1 . . . . . 126 THR CA . 51010 1 1170 . 1 . 1 126 126 THR CB C 13 69.400 0.43 . 1 . . . . . 126 THR CB . 51010 1 1171 . 1 . 1 126 126 THR CG2 C 13 21.468 0.00 . 2 . . . . . 126 THR CG2 . 51010 1 1172 . 1 . 1 126 126 THR N N 15 113.570 0.12 . 1 . . . . . 126 THR N . 51010 1 1173 . 1 . 1 127 127 LEU H H 1 8.227 0.01 . 1 . . . . . 127 LEU H . 51010 1 1174 . 1 . 1 127 127 LEU HA H 1 4.199 0.04 . 1 . . . . . 127 LEU HA . 51010 1 1175 . 1 . 1 127 127 LEU HB2 H 1 1.635 0.11 . 2 . . . . . 127 LEU HB2 . 51010 1 1176 . 1 . 1 127 127 LEU HB3 H 1 1.538 0.01 . 2 . . . . . 127 LEU HB3 . 51010 1 1177 . 1 . 1 127 127 LEU HG H 1 1.538 0.01 . 1 . . . . . 127 LEU HG . 51010 1 1178 . 1 . 1 127 127 LEU HD11 H 1 0.835 0.01 . 2 . . . . . 127 LEU HD1 . 51010 1 1179 . 1 . 1 127 127 LEU HD12 H 1 0.835 0.01 . 2 . . . . . 127 LEU HD1 . 51010 1 1180 . 1 . 1 127 127 LEU HD13 H 1 0.835 0.01 . 2 . . . . . 127 LEU HD1 . 51010 1 1181 . 1 . 1 127 127 LEU HD21 H 1 0.835 0.01 . 2 . . . . . 127 LEU HD2 . 51010 1 1182 . 1 . 1 127 127 LEU HD22 H 1 0.835 0.01 . 2 . . . . . 127 LEU HD2 . 51010 1 1183 . 1 . 1 127 127 LEU HD23 H 1 0.835 0.01 . 2 . . . . . 127 LEU HD2 . 51010 1 1184 . 1 . 1 127 127 LEU C C 13 177.329 0.10 . 1 . . . . . 127 LEU C . 51010 1 1185 . 1 . 1 127 127 LEU CA C 13 55.286 0.23 . 1 . . . . . 127 LEU CA . 51010 1 1186 . 1 . 1 127 127 LEU CB C 13 42.016 0.18 . 1 . . . . . 127 LEU CB . 51010 1 1187 . 1 . 1 127 127 LEU CG C 13 27.113 0.00 . 1 . . . . . 127 LEU CG . 51010 1 1188 . 1 . 1 127 127 LEU CD1 C 13 24.924 0.00 . 1 . . . . . 127 LEU CD1 . 51010 1 1189 . 1 . 1 127 127 LEU CD2 C 13 23.761 0.00 . 1 . . . . . 127 LEU CD2 . 51010 1 1190 . 1 . 1 127 127 LEU N N 15 123.610 0.10 . 1 . . . . . 127 LEU N . 51010 1 1191 . 1 . 1 128 128 GLU H H 1 8.202 0.00 . 1 . . . . . 128 GLU H . 51010 1 1192 . 1 . 1 128 128 GLU HA H 1 4.082 0.03 . 1 . . . . . 128 GLU HA . 51010 1 1193 . 1 . 1 128 128 GLU HB2 H 1 2.127 0.02 . 2 . . . . . 128 GLU HB2 . 51010 1 1194 . 1 . 1 128 128 GLU HB3 H 1 1.917 0.08 . 2 . . . . . 128 GLU HB3 . 51010 1 1195 . 1 . 1 128 128 GLU C C 13 177.578 0.13 . 1 . . . . . 128 GLU C . 51010 1 1196 . 1 . 1 128 128 GLU CA C 13 56.363 0.21 . 1 . . . . . 128 GLU CA . 51010 1 1197 . 1 . 1 128 128 GLU CB C 13 29.882 0.45 . 1 . . . . . 128 GLU CB . 51010 1 1198 . 1 . 1 128 128 GLU CG C 13 35.838 0.00 . 1 . . . . . 128 GLU CG . 51010 1 1199 . 1 . 1 128 128 GLU N N 15 120.705 0.09 . 1 . . . . . 128 GLU N . 51010 1 1200 . 1 . 1 129 129 HIS H H 1 8.348 0.01 . 1 . . . . . 129 HIS H . 51010 1 1201 . 1 . 1 129 129 HIS N N 15 119.361 0.08 . 1 . . . . . 129 HIS N . 51010 1 stop_ save_