data_18431 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18431 _Entry.Title ; Solution structure of the mouse Rev1 C-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-30 _Entry.Accession_date 2012-04-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jiangxin Liu . . . 18431 2 Jessica Wojtaszek . . . 18431 3 Pei Zhou . . . 18431 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18431 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CTD . 18431 Rev1 . 18431 'translesion DNA polymerase' . 18431 Y-family . 18431 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18431 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 363 18431 '15N chemical shifts' 100 18431 '1H chemical shifts' 764 18431 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-11 2012-04-30 update BMRB 'update entry citation' 18431 1 . . 2012-06-18 2012-04-30 original author 'original release' 18431 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18433 'mouse Rev1 CTD in complex with the RIR of Pol Kappa' 18431 PDB 2LSG 'BMRB Entry Tracking System' 18431 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18431 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22700975 _Citation.Full_citation . _Citation.Title 'Multifaceted recognition of vertebrate Rev1 by translesion polymerases and .' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 31 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 26400 _Citation.Page_last 26408 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jessica Wojtaszek . . . 18431 1 2 Jiangxin Liu . . . 18431 1 3 Sanjay Wang . . . 18431 1 4 Su Xue . . . 18431 1 5 Yaohua Walker . . . 18431 1 6 Graham Zhou . C. . 18431 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18431 _Assembly.ID 1 _Assembly.Name 'mouse Rev1 C-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'mouse Rev1 C-terminal domain' 1 $Rev1 A . yes native no no . . . 18431 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rev1 _Entity.Sf_category entity _Entity.Sf_framecode Rev1 _Entity.Entry_ID 18431 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGGFRPAAPNLAGAVEFSD VKTLLKEWITTISDPMEEDI LQVVRYCTDLIEEKDLEKLD LVIKYMKRLMQQSVESVWNM AFDFILDNVQVVLQQTYGST LKVT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11166.953 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18433 . entity_1 . . . . . 99.04 119 98.06 98.06 2.76e-65 . . . . 18431 1 2 no PDB 2LSG . "Solution Structure Of The Mouse Rev1 C-terminal Domain" . . . . . 100.00 104 100.00 100.00 9.87e-69 . . . . 18431 1 3 no PDB 2LSJ . "Solution Structure Of The Mouse Rev1 Ctd In Complex With The Rev1- Interacting Region (rir)of Pol Kappa" . . . . . 99.04 119 98.06 98.06 2.76e-65 . . . . 18431 1 4 no PDB 4FJO . "Structure Of The Rev1 Ctd-rev3/7-pol Kappa Rir Complex" . . . . . 93.27 97 100.00 100.00 4.15e-62 . . . . 18431 1 5 no DBJ BAB64933 . "deoxycytidyl transferase [Mus musculus]" . . . . . 99.04 1249 98.06 98.06 4.59e-60 . . . . 18431 1 6 no GB AAF23323 . "REV1 protein [Mus musculus]" . . . . . 99.04 1249 98.06 98.06 4.59e-60 . . . . 18431 1 7 no GB AAH58093 . "REV1 homolog (S. cerevisiae) [Mus musculus]" . . . . . 99.04 1249 98.06 98.06 4.59e-60 . . . . 18431 1 8 no GB EDL14541 . "REV1-like (S. cerevisiae) [Mus musculus]" . . . . . 99.04 1249 98.06 98.06 4.59e-60 . . . . 18431 1 9 no GB EGW11994 . "DNA repair protein REV1 [Cricetulus griseus]" . . . . . 95.19 701 96.97 97.98 3.32e-58 . . . . 18431 1 10 no GB EHB10584 . "DNA repair protein REV1 [Heterocephalus glaber]" . . . . . 95.19 1252 96.97 98.99 2.56e-57 . . . . 18431 1 11 no REF NP_062516 . "DNA repair protein REV1 [Mus musculus]" . . . . . 99.04 1249 98.06 98.06 4.59e-60 . . . . 18431 1 12 no REF XP_001490149 . "PREDICTED: DNA repair protein REV1 isoform X1 [Equus caballus]" . . . . . 95.19 1254 97.98 98.99 5.35e-58 . . . . 18431 1 13 no REF XP_002709984 . "PREDICTED: DNA repair protein REV1 isoform X3 [Oryctolagus cuniculus]" . . . . . 95.19 1248 96.97 97.98 2.08e-57 . . . . 18431 1 14 no REF XP_003503378 . "PREDICTED: DNA repair protein REV1 isoform X1 [Cricetulus griseus]" . . . . . 95.19 1258 96.97 97.98 4.71e-57 . . . . 18431 1 15 no REF XP_004669836 . "PREDICTED: DNA repair protein REV1 isoform X1 [Jaculus jaculus]" . . . . . 95.19 1248 97.98 98.99 2.04e-57 . . . . 18431 1 16 no SP Q920Q2 . "RecName: Full=DNA repair protein REV1; AltName: Full=Rev1-like terminal deoxycytidyl transferase" . . . . . 99.04 1249 98.06 98.06 4.59e-60 . . . . 18431 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18431 1 2 . SER . 18431 1 3 . GLY . 18431 1 4 . GLY . 18431 1 5 . PHE . 18431 1 6 . ARG . 18431 1 7 . PRO . 18431 1 8 . ALA . 18431 1 9 . ALA . 18431 1 10 . PRO . 18431 1 11 . ASN . 18431 1 12 . LEU . 18431 1 13 . ALA . 18431 1 14 . GLY . 18431 1 15 . ALA . 18431 1 16 . VAL . 18431 1 17 . GLU . 18431 1 18 . PHE . 18431 1 19 . SER . 18431 1 20 . ASP . 18431 1 21 . VAL . 18431 1 22 . LYS . 18431 1 23 . THR . 18431 1 24 . LEU . 18431 1 25 . LEU . 18431 1 26 . LYS . 18431 1 27 . GLU . 18431 1 28 . TRP . 18431 1 29 . ILE . 18431 1 30 . THR . 18431 1 31 . THR . 18431 1 32 . ILE . 18431 1 33 . SER . 18431 1 34 . ASP . 18431 1 35 . PRO . 18431 1 36 . MET . 18431 1 37 . GLU . 18431 1 38 . GLU . 18431 1 39 . ASP . 18431 1 40 . ILE . 18431 1 41 . LEU . 18431 1 42 . GLN . 18431 1 43 . VAL . 18431 1 44 . VAL . 18431 1 45 . ARG . 18431 1 46 . TYR . 18431 1 47 . CYS . 18431 1 48 . THR . 18431 1 49 . ASP . 18431 1 50 . LEU . 18431 1 51 . ILE . 18431 1 52 . GLU . 18431 1 53 . GLU . 18431 1 54 . LYS . 18431 1 55 . ASP . 18431 1 56 . LEU . 18431 1 57 . GLU . 18431 1 58 . LYS . 18431 1 59 . LEU . 18431 1 60 . ASP . 18431 1 61 . LEU . 18431 1 62 . VAL . 18431 1 63 . ILE . 18431 1 64 . LYS . 18431 1 65 . TYR . 18431 1 66 . MET . 18431 1 67 . LYS . 18431 1 68 . ARG . 18431 1 69 . LEU . 18431 1 70 . MET . 18431 1 71 . GLN . 18431 1 72 . GLN . 18431 1 73 . SER . 18431 1 74 . VAL . 18431 1 75 . GLU . 18431 1 76 . SER . 18431 1 77 . VAL . 18431 1 78 . TRP . 18431 1 79 . ASN . 18431 1 80 . MET . 18431 1 81 . ALA . 18431 1 82 . PHE . 18431 1 83 . ASP . 18431 1 84 . PHE . 18431 1 85 . ILE . 18431 1 86 . LEU . 18431 1 87 . ASP . 18431 1 88 . ASN . 18431 1 89 . VAL . 18431 1 90 . GLN . 18431 1 91 . VAL . 18431 1 92 . VAL . 18431 1 93 . LEU . 18431 1 94 . GLN . 18431 1 95 . GLN . 18431 1 96 . THR . 18431 1 97 . TYR . 18431 1 98 . GLY . 18431 1 99 . SER . 18431 1 100 . THR . 18431 1 101 . LEU . 18431 1 102 . LYS . 18431 1 103 . VAL . 18431 1 104 . THR . 18431 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 . GLY 1 1 18431 1 . SER 2 2 18431 1 . GLY 3 3 18431 1 . GLY 4 4 18431 1 . PHE 5 5 18431 1 . ARG 6 6 18431 1 . PRO 7 7 18431 1 . ALA 8 8 18431 1 . ALA 9 9 18431 1 . PRO 10 10 18431 1 . ASN 11 11 18431 1 . LEU 12 12 18431 1 . ALA 13 13 18431 1 . GLY 14 14 18431 1 . ALA 15 15 18431 1 . VAL 16 16 18431 1 . GLU 17 17 18431 1 . PHE 18 18 18431 1 . SER 19 19 18431 1 . ASP 20 20 18431 1 . VAL 21 21 18431 1 . LYS 22 22 18431 1 . THR 23 23 18431 1 . LEU 24 24 18431 1 . LEU 25 25 18431 1 . LYS 26 26 18431 1 . GLU 27 27 18431 1 . TRP 28 28 18431 1 . ILE 29 29 18431 1 . THR 30 30 18431 1 . THR 31 31 18431 1 . ILE 32 32 18431 1 . SER 33 33 18431 1 . ASP 34 34 18431 1 . PRO 35 35 18431 1 . MET 36 36 18431 1 . GLU 37 37 18431 1 . GLU 38 38 18431 1 . ASP 39 39 18431 1 . ILE 40 40 18431 1 . LEU 41 41 18431 1 . GLN 42 42 18431 1 . VAL 43 43 18431 1 . VAL 44 44 18431 1 . ARG 45 45 18431 1 . TYR 46 46 18431 1 . CYS 47 47 18431 1 . THR 48 48 18431 1 . ASP 49 49 18431 1 . LEU 50 50 18431 1 . ILE 51 51 18431 1 . GLU 52 52 18431 1 . GLU 53 53 18431 1 . LYS 54 54 18431 1 . ASP 55 55 18431 1 . LEU 56 56 18431 1 . GLU 57 57 18431 1 . LYS 58 58 18431 1 . LEU 59 59 18431 1 . ASP 60 60 18431 1 . LEU 61 61 18431 1 . VAL 62 62 18431 1 . ILE 63 63 18431 1 . LYS 64 64 18431 1 . TYR 65 65 18431 1 . MET 66 66 18431 1 . LYS 67 67 18431 1 . ARG 68 68 18431 1 . LEU 69 69 18431 1 . MET 70 70 18431 1 . GLN 71 71 18431 1 . GLN 72 72 18431 1 . SER 73 73 18431 1 . VAL 74 74 18431 1 . GLU 75 75 18431 1 . SER 76 76 18431 1 . VAL 77 77 18431 1 . TRP 78 78 18431 1 . ASN 79 79 18431 1 . MET 80 80 18431 1 . ALA 81 81 18431 1 . PHE 82 82 18431 1 . ASP 83 83 18431 1 . PHE 84 84 18431 1 . ILE 85 85 18431 1 . LEU 86 86 18431 1 . ASP 87 87 18431 1 . ASN 88 88 18431 1 . VAL 89 89 18431 1 . GLN 90 90 18431 1 . VAL 91 91 18431 1 . VAL 92 92 18431 1 . LEU 93 93 18431 1 . GLN 94 94 18431 1 . GLN 95 95 18431 1 . THR 96 96 18431 1 . TYR 97 97 18431 1 . GLY 98 98 18431 1 . SER 99 99 18431 1 . THR 100 100 18431 1 . LEU 101 101 18431 1 . LYS 102 102 18431 1 . VAL 103 103 18431 1 . THR 104 104 18431 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18431 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Rev1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 18431 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18431 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Rev1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pMAL-C2 . . . . . . 18431 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18431 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rev1 '[U-100% 15N]' . . 1 $Rev1 . . . 0.9 1 mM . . . . 18431 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18431 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18431 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18431 1 5 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 18431 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18431 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18431 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18431 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18431 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rev1 '[U-100% 13C; U-100% 15N]' . . 1 $Rev1 . . . 0.9 1 mM . . . . 18431 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18431 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18431 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18431 2 5 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 18431 2 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18431 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18431 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18431 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18431 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rev1 '[U-100% 13C; U-100% 15N]' . . 1 $Rev1 . . 1 0.9 1 mM . . . . 18431 3 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18431 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18431 3 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18431 3 5 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 18431 3 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18431 3 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18431 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18431 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.113 0.012 M 18431 1 pH 7 . pH 18431 1 pressure 1 . atm 18431 1 temperature 298 . K 18431 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18431 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18431 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18431 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18431 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18431 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18431 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18431 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details TALOS+ loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18431 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18431 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18431 _Software.ID 4 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18431 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 18431 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18431 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18431 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18431 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18431 1 2 spectrometer_2 Varian INOVA . 800 . . . 18431 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18431 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 4 '3D (HCA)CO(CA)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 7 '3D HN(CA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 8 '3D HNCO(CA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 9 '3D HA(CA)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 10 '3D HA(CACO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 13 '4D HCCONH TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 14 '4D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 15 '4D 13C-HMQC-NOESY-HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 16 '4D 13C-HMQC-NOESY-15N-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18431 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18431 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18431 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18431 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18431 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18431 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18431 1 2 '2D 1H-13C HSQC' . . . 18431 1 3 '3D HNCO' . . . 18431 1 4 '3D (HCA)CO(CA)NH' . . . 18431 1 5 '3D HNCA' . . . 18431 1 6 '3D HN(CO)CA' . . . 18431 1 7 '3D HN(CA)CB' . . . 18431 1 8 '3D HNCO(CA)CB' . . . 18431 1 9 '3D HA(CA)NH' . . . 18431 1 10 '3D HA(CACO)NH' . . . 18431 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY HA2 H 1 3.977 0.000 . . . . . . 3 GLY HA2 . 18431 1 2 . 1 1 3 3 GLY HA3 H 1 3.977 0.000 . . . . . . 3 GLY HA3 . 18431 1 3 . 1 1 3 3 GLY CA C 13 45.388 0.000 . . . . . . 3 GLY CA . 18431 1 4 . 1 1 4 4 GLY H H 1 8.251 0.001 . . . . . . 4 GLY H . 18431 1 5 . 1 1 4 4 GLY HA2 H 1 3.895 0.012 . . . . . . 4 GLY HA2 . 18431 1 6 . 1 1 4 4 GLY HA3 H 1 3.895 0.012 . . . . . . 4 GLY HA3 . 18431 1 7 . 1 1 4 4 GLY CA C 13 44.934 0.054 . . . . . . 4 GLY CA . 18431 1 8 . 1 1 4 4 GLY N N 15 108.668 0.040 . . . . . . 4 GLY N . 18431 1 9 . 1 1 5 5 PHE H H 1 8.161 0.003 . . . . . . 5 PHE H . 18431 1 10 . 1 1 5 5 PHE HA H 1 4.561 0.010 . . . . . . 5 PHE HA . 18431 1 11 . 1 1 5 5 PHE HB2 H 1 3.016 0.014 . . . . . . 5 PHE HB2 . 18431 1 12 . 1 1 5 5 PHE HB3 H 1 3.016 0.014 . . . . . . 5 PHE HB3 . 18431 1 13 . 1 1 5 5 PHE HD1 H 1 7.190 0.009 . . . . . . 5 PHE HD1 . 18431 1 14 . 1 1 5 5 PHE HD2 H 1 7.190 0.009 . . . . . . 5 PHE HD2 . 18431 1 15 . 1 1 5 5 PHE HE1 H 1 7.269 0.011 . . . . . . 5 PHE HE1 . 18431 1 16 . 1 1 5 5 PHE HE2 H 1 7.269 0.011 . . . . . . 5 PHE HE2 . 18431 1 17 . 1 1 5 5 PHE HZ H 1 7.235 0.006 . . . . . . 5 PHE HZ . 18431 1 18 . 1 1 5 5 PHE CA C 13 57.634 0.032 . . . . . . 5 PHE CA . 18431 1 19 . 1 1 5 5 PHE CB C 13 39.615 0.172 . . . . . . 5 PHE CB . 18431 1 20 . 1 1 5 5 PHE CD1 C 13 131.170 0.068 . . . . . . 5 PHE CD1 . 18431 1 21 . 1 1 5 5 PHE CE1 C 13 130.867 0.010 . . . . . . 5 PHE CE1 . 18431 1 22 . 1 1 5 5 PHE CZ C 13 129.159 0.098 . . . . . . 5 PHE CZ . 18431 1 23 . 1 1 5 5 PHE N N 15 120.371 0.132 . . . . . . 5 PHE N . 18431 1 24 . 1 1 6 6 ARG H H 1 8.161 0.001 . . . . . . 6 ARG H . 18431 1 25 . 1 1 6 6 ARG HA H 1 4.544 0.010 . . . . . . 6 ARG HA . 18431 1 26 . 1 1 6 6 ARG HB2 H 1 1.633 0.009 . . . . . . 6 ARG HB2 . 18431 1 27 . 1 1 6 6 ARG HB3 H 1 1.753 0.010 . . . . . . 6 ARG HB3 . 18431 1 28 . 1 1 6 6 ARG HG2 H 1 1.550 0.012 . . . . . . 6 ARG HG2 . 18431 1 29 . 1 1 6 6 ARG HG3 H 1 1.550 0.012 . . . . . . 6 ARG HG3 . 18431 1 30 . 1 1 6 6 ARG HD2 H 1 3.155 0.012 . . . . . . 6 ARG HD2 . 18431 1 31 . 1 1 6 6 ARG HD3 H 1 3.155 0.012 . . . . . . 6 ARG HD3 . 18431 1 32 . 1 1 6 6 ARG CA C 13 53.393 0.218 . . . . . . 6 ARG CA . 18431 1 33 . 1 1 6 6 ARG CB C 13 30.495 0.086 . . . . . . 6 ARG CB . 18431 1 34 . 1 1 6 6 ARG CG C 13 26.505 0.171 . . . . . . 6 ARG CG . 18431 1 35 . 1 1 6 6 ARG CD C 13 43.162 0.118 . . . . . . 6 ARG CD . 18431 1 36 . 1 1 6 6 ARG N N 15 125.018 0.134 . . . . . . 6 ARG N . 18431 1 37 . 1 1 7 7 PRO HA H 1 4.298 0.012 . . . . . . 7 PRO HA . 18431 1 38 . 1 1 7 7 PRO HB2 H 1 1.917 0.004 . . . . . . 7 PRO HB2 . 18431 1 39 . 1 1 7 7 PRO HB3 H 1 2.274 0.010 . . . . . . 7 PRO HB3 . 18431 1 40 . 1 1 7 7 PRO HG2 H 1 1.957 0.009 . . . . . . 7 PRO HG2 . 18431 1 41 . 1 1 7 7 PRO HG3 H 1 1.957 0.009 . . . . . . 7 PRO HG3 . 18431 1 42 . 1 1 7 7 PRO HD2 H 1 3.562 0.009 . . . . . . 7 PRO HD2 . 18431 1 43 . 1 1 7 7 PRO HD3 H 1 3.562 0.009 . . . . . . 7 PRO HD3 . 18431 1 44 . 1 1 7 7 PRO CA C 13 62.909 0.112 . . . . . . 7 PRO CA . 18431 1 45 . 1 1 7 7 PRO CB C 13 31.862 0.154 . . . . . . 7 PRO CB . 18431 1 46 . 1 1 7 7 PRO CG C 13 27.039 0.100 . . . . . . 7 PRO CG . 18431 1 47 . 1 1 7 7 PRO CD C 13 50.376 0.043 . . . . . . 7 PRO CD . 18431 1 48 . 1 1 8 8 ALA H H 1 8.273 0.010 . . . . . A 8 ALA H . 18431 1 49 . 1 1 8 8 ALA HA H 1 4.273 0.013 . . . . . A 8 ALA HA . 18431 1 50 . 1 1 8 8 ALA HB1 H 1 1.344 0.013 . . . . . A 8 ALA HB1 . 18431 1 51 . 1 1 8 8 ALA HB2 H 1 1.344 0.013 . . . . . A 8 ALA HB2 . 18431 1 52 . 1 1 8 8 ALA HB3 H 1 1.344 0.013 . . . . . A 8 ALA HB3 . 18431 1 53 . 1 1 8 8 ALA CA C 13 51.803 0.092 . . . . . A 8 ALA CA . 18431 1 54 . 1 1 8 8 ALA CB C 13 19.277 0.052 . . . . . A 8 ALA CB . 18431 1 55 . 1 1 8 8 ALA N N 15 123.694 0.066 . . . . . A 8 ALA N . 18431 1 56 . 1 1 9 9 ALA H H 1 7.992 0.013 . . . . . A 9 ALA H . 18431 1 57 . 1 1 9 9 ALA HA H 1 4.549 0.009 . . . . . A 9 ALA HA . 18431 1 58 . 1 1 9 9 ALA HB1 H 1 1.327 0.010 . . . . . A 9 ALA HB1 . 18431 1 59 . 1 1 9 9 ALA HB2 H 1 1.327 0.010 . . . . . A 9 ALA HB2 . 18431 1 60 . 1 1 9 9 ALA HB3 H 1 1.327 0.010 . . . . . A 9 ALA HB3 . 18431 1 61 . 1 1 9 9 ALA CA C 13 50.151 0.105 . . . . . A 9 ALA CA . 18431 1 62 . 1 1 9 9 ALA CB C 13 18.185 0.061 . . . . . A 9 ALA CB . 18431 1 63 . 1 1 9 9 ALA N N 15 123.345 0.062 . . . . . A 9 ALA N . 18431 1 64 . 1 1 10 10 PRO HA H 1 4.299 0.004 . . . . . A 10 PRO HA . 18431 1 65 . 1 1 10 10 PRO HB2 H 1 1.892 0.013 . . . . . A 10 PRO HB2 . 18431 1 66 . 1 1 10 10 PRO HB3 H 1 2.264 0.008 . . . . . A 10 PRO HB3 . 18431 1 67 . 1 1 10 10 PRO HG2 H 1 1.942 0.011 . . . . . A 10 PRO HG2 . 18431 1 68 . 1 1 10 10 PRO HG3 H 1 1.942 0.011 . . . . . A 10 PRO HG3 . 18431 1 69 . 1 1 10 10 PRO HD2 H 1 3.582 0.008 . . . . . A 10 PRO HD2 . 18431 1 70 . 1 1 10 10 PRO HD3 H 1 3.714 0.002 . . . . . A 10 PRO HD3 . 18431 1 71 . 1 1 10 10 PRO CA C 13 62.937 0.155 . . . . . A 10 PRO CA . 18431 1 72 . 1 1 10 10 PRO CB C 13 31.902 0.293 . . . . . A 10 PRO CB . 18431 1 73 . 1 1 10 10 PRO CG C 13 27.127 0.213 . . . . . A 10 PRO CG . 18431 1 74 . 1 1 10 10 PRO CD C 13 50.376 0.341 . . . . . A 10 PRO CD . 18431 1 75 . 1 1 11 11 ASN H H 1 8.467 0.007 . . . . . A 11 ASN H . 18431 1 76 . 1 1 11 11 ASN HA H 1 4.646 0.015 . . . . . A 11 ASN HA . 18431 1 77 . 1 1 11 11 ASN HB2 H 1 2.757 0.000 . . . . . A 11 ASN HB2 . 18431 1 78 . 1 1 11 11 ASN HB3 H 1 2.816 0.010 . . . . . A 11 ASN HB3 . 18431 1 79 . 1 1 11 11 ASN CA C 13 53.077 0.071 . . . . . A 11 ASN CA . 18431 1 80 . 1 1 11 11 ASN CB C 13 38.590 0.062 . . . . . A 11 ASN CB . 18431 1 81 . 1 1 11 11 ASN N N 15 117.877 0.058 . . . . . A 11 ASN N . 18431 1 82 . 1 1 12 12 LEU H H 1 8.196 0.001 . . . . . A 12 LEU H . 18431 1 83 . 1 1 12 12 LEU HA H 1 4.290 0.013 . . . . . A 12 LEU HA . 18431 1 84 . 1 1 12 12 LEU HB2 H 1 1.598 0.010 . . . . . A 12 LEU HB2 . 18431 1 85 . 1 1 12 12 LEU HB3 H 1 1.598 0.010 . . . . . A 12 LEU HB3 . 18431 1 86 . 1 1 12 12 LEU HG H 1 1.565 0.006 . . . . . A 12 LEU HG . 18431 1 87 . 1 1 12 12 LEU HD11 H 1 0.814 0.010 . . . . . A 12 LEU HD11 . 18431 1 88 . 1 1 12 12 LEU HD12 H 1 0.814 0.010 . . . . . A 12 LEU HD12 . 18431 1 89 . 1 1 12 12 LEU HD13 H 1 0.814 0.010 . . . . . A 12 LEU HD13 . 18431 1 90 . 1 1 12 12 LEU HD21 H 1 0.868 0.013 . . . . . A 12 LEU HD21 . 18431 1 91 . 1 1 12 12 LEU HD22 H 1 0.868 0.013 . . . . . A 12 LEU HD22 . 18431 1 92 . 1 1 12 12 LEU HD23 H 1 0.868 0.013 . . . . . A 12 LEU HD23 . 18431 1 93 . 1 1 12 12 LEU CA C 13 55.170 0.135 . . . . . A 12 LEU CA . 18431 1 94 . 1 1 12 12 LEU CB C 13 42.131 0.074 . . . . . A 12 LEU CB . 18431 1 95 . 1 1 12 12 LEU CG C 13 26.870 0.041 . . . . . A 12 LEU CG . 18431 1 96 . 1 1 12 12 LEU CD1 C 13 23.319 0.104 . . . . . A 12 LEU CD1 . 18431 1 97 . 1 1 12 12 LEU CD2 C 13 24.898 0.121 . . . . . A 12 LEU CD2 . 18431 1 98 . 1 1 12 12 LEU N N 15 122.874 0.012 . . . . . A 12 LEU N . 18431 1 99 . 1 1 13 13 ALA H H 1 8.214 0.012 . . . . . A 13 ALA H . 18431 1 100 . 1 1 13 13 ALA HA H 1 4.243 0.015 . . . . . A 13 ALA HA . 18431 1 101 . 1 1 13 13 ALA HB1 H 1 1.357 0.012 . . . . . A 13 ALA HB1 . 18431 1 102 . 1 1 13 13 ALA HB2 H 1 1.357 0.012 . . . . . A 13 ALA HB2 . 18431 1 103 . 1 1 13 13 ALA HB3 H 1 1.357 0.012 . . . . . A 13 ALA HB3 . 18431 1 104 . 1 1 13 13 ALA CA C 13 52.672 0.052 . . . . . A 13 ALA CA . 18431 1 105 . 1 1 13 13 ALA CB C 13 18.923 0.116 . . . . . A 13 ALA CB . 18431 1 106 . 1 1 13 13 ALA N N 15 123.854 0.013 . . . . . A 13 ALA N . 18431 1 107 . 1 1 14 14 GLY H H 1 8.246 0.016 . . . . . A 14 GLY H . 18431 1 108 . 1 1 14 14 GLY HA2 H 1 3.885 0.013 . . . . . A 14 GLY HA2 . 18431 1 109 . 1 1 14 14 GLY HA3 H 1 3.885 0.013 . . . . . A 14 GLY HA3 . 18431 1 110 . 1 1 14 14 GLY CA C 13 44.989 0.083 . . . . . A 14 GLY CA . 18431 1 111 . 1 1 14 14 GLY N N 15 107.993 0.057 . . . . . A 14 GLY N . 18431 1 112 . 1 1 15 15 ALA H H 1 8.017 0.018 . . . . . A 15 ALA H . 18431 1 113 . 1 1 15 15 ALA HA H 1 4.330 0.007 . . . . . A 15 ALA HA . 18431 1 114 . 1 1 15 15 ALA HB1 H 1 1.263 0.007 . . . . . A 15 ALA HB1 . 18431 1 115 . 1 1 15 15 ALA HB2 H 1 1.263 0.007 . . . . . A 15 ALA HB2 . 18431 1 116 . 1 1 15 15 ALA HB3 H 1 1.263 0.007 . . . . . A 15 ALA HB3 . 18431 1 117 . 1 1 15 15 ALA CA C 13 52.147 0.134 . . . . . A 15 ALA CA . 18431 1 118 . 1 1 15 15 ALA CB C 13 18.941 0.123 . . . . . A 15 ALA CB . 18431 1 119 . 1 1 15 15 ALA N N 15 123.594 0.055 . . . . . A 15 ALA N . 18431 1 120 . 1 1 16 16 VAL H H 1 8.060 0.000 . . . . . A 16 VAL H . 18431 1 121 . 1 1 16 16 VAL HA H 1 4.036 0.012 . . . . . A 16 VAL HA . 18431 1 122 . 1 1 16 16 VAL HB H 1 1.991 0.018 . . . . . A 16 VAL HB . 18431 1 123 . 1 1 16 16 VAL HG11 H 1 0.870 0.006 . . . . . A 16 VAL HG11 . 18431 1 124 . 1 1 16 16 VAL HG12 H 1 0.870 0.006 . . . . . A 16 VAL HG12 . 18431 1 125 . 1 1 16 16 VAL HG13 H 1 0.870 0.006 . . . . . A 16 VAL HG13 . 18431 1 126 . 1 1 16 16 VAL HG21 H 1 0.804 0.013 . . . . . A 16 VAL HG21 . 18431 1 127 . 1 1 16 16 VAL HG22 H 1 0.804 0.013 . . . . . A 16 VAL HG22 . 18431 1 128 . 1 1 16 16 VAL HG23 H 1 0.804 0.013 . . . . . A 16 VAL HG23 . 18431 1 129 . 1 1 16 16 VAL CA C 13 62.127 0.102 . . . . . A 16 VAL CA . 18431 1 130 . 1 1 16 16 VAL CB C 13 32.727 0.090 . . . . . A 16 VAL CB . 18431 1 131 . 1 1 16 16 VAL CG1 C 13 20.707 0.131 . . . . . A 16 VAL CG1 . 18431 1 132 . 1 1 16 16 VAL CG2 C 13 20.775 0.272 . . . . . A 16 VAL CG2 . 18431 1 133 . 1 1 16 16 VAL N N 15 119.010 0.000 . . . . . A 16 VAL N . 18431 1 134 . 1 1 17 17 GLU H H 1 8.436 0.003 . . . . . A 17 GLU H . 18431 1 135 . 1 1 17 17 GLU HA H 1 4.429 0.005 . . . . . A 17 GLU HA . 18431 1 136 . 1 1 17 17 GLU HB2 H 1 2.216 0.009 . . . . . A 17 GLU HB2 . 18431 1 137 . 1 1 17 17 GLU HB3 H 1 2.216 0.009 . . . . . A 17 GLU HB3 . 18431 1 138 . 1 1 17 17 GLU HG2 H 1 2.274 0.007 . . . . . A 17 GLU HG2 . 18431 1 139 . 1 1 17 17 GLU HG3 H 1 2.413 0.000 . . . . . A 17 GLU HG3 . 18431 1 140 . 1 1 17 17 GLU CA C 13 57.429 0.223 . . . . . A 17 GLU CA . 18431 1 141 . 1 1 17 17 GLU CB C 13 29.421 0.201 . . . . . A 17 GLU CB . 18431 1 142 . 1 1 17 17 GLU CG C 13 36.344 0.113 . . . . . A 17 GLU CG . 18431 1 143 . 1 1 17 17 GLU N N 15 124.211 0.079 . . . . . A 17 GLU N . 18431 1 144 . 1 1 18 18 PHE HA H 1 4.291 0.010 . . . . . A 18 PHE HA . 18431 1 145 . 1 1 18 18 PHE HB2 H 1 3.047 0.010 . . . . . A 18 PHE HB2 . 18431 1 146 . 1 1 18 18 PHE HB3 H 1 3.264 0.015 . . . . . A 18 PHE HB3 . 18431 1 147 . 1 1 18 18 PHE HD1 H 1 7.185 0.011 . . . . . A 18 PHE HD1 . 18431 1 148 . 1 1 18 18 PHE HD2 H 1 7.185 0.011 . . . . . A 18 PHE HD2 . 18431 1 149 . 1 1 18 18 PHE HE1 H 1 7.125 0.012 . . . . . A 18 PHE HE1 . 18431 1 150 . 1 1 18 18 PHE HE2 H 1 7.125 0.012 . . . . . A 18 PHE HE2 . 18431 1 151 . 1 1 18 18 PHE HZ H 1 6.940 0.008 . . . . . A 18 PHE HZ . 18431 1 152 . 1 1 18 18 PHE CA C 13 60.955 0.058 . . . . . A 18 PHE CA . 18431 1 153 . 1 1 18 18 PHE CB C 13 38.464 0.137 . . . . . A 18 PHE CB . 18431 1 154 . 1 1 18 18 PHE CD2 C 13 131.084 0.101 . . . . . A 18 PHE CD2 . 18431 1 155 . 1 1 18 18 PHE CE2 C 13 130.486 0.034 . . . . . A 18 PHE CE2 . 18431 1 156 . 1 1 18 18 PHE CZ C 13 128.717 0.067 . . . . . A 18 PHE CZ . 18431 1 157 . 1 1 19 19 SER H H 1 8.871 0.009 . . . . . A 19 SER H . 18431 1 158 . 1 1 19 19 SER HA H 1 3.659 0.003 . . . . . A 19 SER HA . 18431 1 159 . 1 1 19 19 SER HB2 H 1 3.827 0.004 . . . . . A 19 SER HB2 . 18431 1 160 . 1 1 19 19 SER HB3 H 1 3.827 0.004 . . . . . A 19 SER HB3 . 18431 1 161 . 1 1 19 19 SER CA C 13 61.576 0.032 . . . . . A 19 SER CA . 18431 1 162 . 1 1 19 19 SER CB C 13 61.649 0.077 . . . . . A 19 SER CB . 18431 1 163 . 1 1 19 19 SER N N 15 112.147 0.037 . . . . . A 19 SER N . 18431 1 164 . 1 1 20 20 ASP H H 1 7.019 0.004 . . . . . A 20 ASP H . 18431 1 165 . 1 1 20 20 ASP HA H 1 4.492 0.009 . . . . . A 20 ASP HA . 18431 1 166 . 1 1 20 20 ASP HB2 H 1 2.699 0.005 . . . . . A 20 ASP HB2 . 18431 1 167 . 1 1 20 20 ASP HB3 H 1 2.819 0.004 . . . . . A 20 ASP HB3 . 18431 1 168 . 1 1 20 20 ASP CA C 13 56.696 0.092 . . . . . A 20 ASP CA . 18431 1 169 . 1 1 20 20 ASP CB C 13 40.543 0.110 . . . . . A 20 ASP CB . 18431 1 170 . 1 1 20 20 ASP N N 15 120.916 0.087 . . . . . A 20 ASP N . 18431 1 171 . 1 1 21 21 VAL HA H 1 3.224 0.008 . . . . . A 21 VAL HA . 18431 1 172 . 1 1 21 21 VAL HB H 1 2.080 0.009 . . . . . A 21 VAL HB . 18431 1 173 . 1 1 21 21 VAL HG11 H 1 0.814 0.005 . . . . . A 21 VAL HG11 . 18431 1 174 . 1 1 21 21 VAL HG12 H 1 0.814 0.005 . . . . . A 21 VAL HG12 . 18431 1 175 . 1 1 21 21 VAL HG13 H 1 0.814 0.005 . . . . . A 21 VAL HG13 . 18431 1 176 . 1 1 21 21 VAL HG21 H 1 0.823 0.009 . . . . . A 21 VAL HG21 . 18431 1 177 . 1 1 21 21 VAL HG22 H 1 0.823 0.009 . . . . . A 21 VAL HG22 . 18431 1 178 . 1 1 21 21 VAL HG23 H 1 0.823 0.009 . . . . . A 21 VAL HG23 . 18431 1 179 . 1 1 21 21 VAL CA C 13 66.801 0.058 . . . . . A 21 VAL CA . 18431 1 180 . 1 1 21 21 VAL CB C 13 31.741 0.098 . . . . . A 21 VAL CB . 18431 1 181 . 1 1 21 21 VAL CG1 C 13 20.573 0.037 . . . . . A 21 VAL CG1 . 18431 1 182 . 1 1 21 21 VAL CG2 C 13 22.505 0.071 . . . . . A 21 VAL CG2 . 18431 1 183 . 1 1 22 22 LYS HA H 1 3.435 0.011 . . . . . A 22 LYS HA . 18431 1 184 . 1 1 22 22 LYS HB2 H 1 1.026 0.010 . . . . . A 22 LYS HB2 . 18431 1 185 . 1 1 22 22 LYS HB3 H 1 1.176 0.008 . . . . . A 22 LYS HB3 . 18431 1 186 . 1 1 22 22 LYS HG2 H 1 -0.087 0.006 . . . . . A 22 LYS HG2 . 18431 1 187 . 1 1 22 22 LYS HG3 H 1 0.314 0.008 . . . . . A 22 LYS HG3 . 18431 1 188 . 1 1 22 22 LYS HD2 H 1 0.895 0.005 . . . . . A 22 LYS HD2 . 18431 1 189 . 1 1 22 22 LYS HD3 H 1 0.994 0.007 . . . . . A 22 LYS HD3 . 18431 1 190 . 1 1 22 22 LYS HE2 H 1 2.155 0.009 . . . . . A 22 LYS HE2 . 18431 1 191 . 1 1 22 22 LYS HE3 H 1 2.308 0.004 . . . . . A 22 LYS HE3 . 18431 1 192 . 1 1 22 22 LYS CA C 13 60.282 0.079 . . . . . A 22 LYS CA . 18431 1 193 . 1 1 22 22 LYS CB C 13 31.283 0.148 . . . . . A 22 LYS CB . 18431 1 194 . 1 1 22 22 LYS CG C 13 24.171 0.075 . . . . . A 22 LYS CG . 18431 1 195 . 1 1 22 22 LYS CD C 13 29.498 0.076 . . . . . A 22 LYS CD . 18431 1 196 . 1 1 22 22 LYS CE C 13 40.796 0.057 . . . . . A 22 LYS CE . 18431 1 197 . 1 1 23 23 THR H H 1 7.391 0.004 . . . . . A 23 THR H . 18431 1 198 . 1 1 23 23 THR HA H 1 3.796 0.013 . . . . . A 23 THR HA . 18431 1 199 . 1 1 23 23 THR HB H 1 4.201 0.014 . . . . . A 23 THR HB . 18431 1 200 . 1 1 23 23 THR HG21 H 1 1.209 0.009 . . . . . A 23 THR HG21 . 18431 1 201 . 1 1 23 23 THR HG22 H 1 1.209 0.009 . . . . . A 23 THR HG22 . 18431 1 202 . 1 1 23 23 THR HG23 H 1 1.209 0.009 . . . . . A 23 THR HG23 . 18431 1 203 . 1 1 23 23 THR CA C 13 66.591 0.182 . . . . . A 23 THR CA . 18431 1 204 . 1 1 23 23 THR CB C 13 68.361 0.126 . . . . . A 23 THR CB . 18431 1 205 . 1 1 23 23 THR CG2 C 13 21.629 0.111 . . . . . A 23 THR CG2 . 18431 1 206 . 1 1 23 23 THR N N 15 116.224 0.025 . . . . . A 23 THR N . 18431 1 207 . 1 1 24 24 LEU H H 1 7.699 0.002 . . . . . A 24 LEU H . 18431 1 208 . 1 1 24 24 LEU HA H 1 4.022 0.011 . . . . . A 24 LEU HA . 18431 1 209 . 1 1 24 24 LEU HB2 H 1 1.379 0.009 . . . . . A 24 LEU HB2 . 18431 1 210 . 1 1 24 24 LEU HB3 H 1 1.694 0.011 . . . . . A 24 LEU HB3 . 18431 1 211 . 1 1 24 24 LEU HG H 1 1.513 0.012 . . . . . A 24 LEU HG . 18431 1 212 . 1 1 24 24 LEU HD11 H 1 0.687 0.011 . . . . . A 24 LEU HD11 . 18431 1 213 . 1 1 24 24 LEU HD12 H 1 0.687 0.011 . . . . . A 24 LEU HD12 . 18431 1 214 . 1 1 24 24 LEU HD13 H 1 0.687 0.011 . . . . . A 24 LEU HD13 . 18431 1 215 . 1 1 24 24 LEU HD21 H 1 0.742 0.005 . . . . . A 24 LEU HD21 . 18431 1 216 . 1 1 24 24 LEU HD22 H 1 0.742 0.005 . . . . . A 24 LEU HD22 . 18431 1 217 . 1 1 24 24 LEU HD23 H 1 0.742 0.005 . . . . . A 24 LEU HD23 . 18431 1 218 . 1 1 24 24 LEU CA C 13 57.911 0.094 . . . . . A 24 LEU CA . 18431 1 219 . 1 1 24 24 LEU CB C 13 42.110 0.093 . . . . . A 24 LEU CB . 18431 1 220 . 1 1 24 24 LEU CG C 13 26.028 0.227 . . . . . A 24 LEU CG . 18431 1 221 . 1 1 24 24 LEU CD1 C 13 24.075 0.075 . . . . . A 24 LEU CD1 . 18431 1 222 . 1 1 24 24 LEU CD2 C 13 25.791 0.036 . . . . . A 24 LEU CD2 . 18431 1 223 . 1 1 25 25 LEU H H 1 8.331 0.002 . . . . . A 25 LEU H . 18431 1 224 . 1 1 25 25 LEU HA H 1 4.135 0.017 . . . . . A 25 LEU HA . 18431 1 225 . 1 1 25 25 LEU HB2 H 1 2.183 0.009 . . . . . A 25 LEU HB2 . 18431 1 226 . 1 1 25 25 LEU HB3 H 1 1.344 0.013 . . . . . A 25 LEU HB3 . 18431 1 227 . 1 1 25 25 LEU HG H 1 1.840 0.018 . . . . . A 25 LEU HG . 18431 1 228 . 1 1 25 25 LEU HD11 H 1 0.947 0.019 . . . . . A 25 LEU HD11 . 18431 1 229 . 1 1 25 25 LEU HD12 H 1 0.947 0.019 . . . . . A 25 LEU HD12 . 18431 1 230 . 1 1 25 25 LEU HD13 H 1 0.947 0.019 . . . . . A 25 LEU HD13 . 18431 1 231 . 1 1 25 25 LEU HD21 H 1 0.983 0.013 . . . . . A 25 LEU HD21 . 18431 1 232 . 1 1 25 25 LEU HD22 H 1 0.983 0.013 . . . . . A 25 LEU HD22 . 18431 1 233 . 1 1 25 25 LEU HD23 H 1 0.983 0.013 . . . . . A 25 LEU HD23 . 18431 1 234 . 1 1 25 25 LEU CA C 13 57.864 0.146 . . . . . A 25 LEU CA . 18431 1 235 . 1 1 25 25 LEU CB C 13 42.653 0.119 . . . . . A 25 LEU CB . 18431 1 236 . 1 1 25 25 LEU CG C 13 26.680 0.024 . . . . . A 25 LEU CG . 18431 1 237 . 1 1 25 25 LEU CD1 C 13 26.701 0.096 . . . . . A 25 LEU CD1 . 18431 1 238 . 1 1 25 25 LEU CD2 C 13 23.160 0.087 . . . . . A 25 LEU CD2 . 18431 1 239 . 1 1 25 25 LEU N N 15 118.389 0.072 . . . . . A 25 LEU N . 18431 1 240 . 1 1 26 26 LYS H H 1 8.464 0.007 . . . . . A 26 LYS H . 18431 1 241 . 1 1 26 26 LYS HA H 1 3.833 0.015 . . . . . A 26 LYS HA . 18431 1 242 . 1 1 26 26 LYS HB2 H 1 1.984 0.011 . . . . . A 26 LYS HB2 . 18431 1 243 . 1 1 26 26 LYS HB3 H 1 2.256 0.011 . . . . . A 26 LYS HB3 . 18431 1 244 . 1 1 26 26 LYS HG2 H 1 1.349 0.006 . . . . . A 26 LYS HG2 . 18431 1 245 . 1 1 26 26 LYS HG3 H 1 1.349 0.006 . . . . . A 26 LYS HG3 . 18431 1 246 . 1 1 26 26 LYS HD2 H 1 1.655 0.005 . . . . . A 26 LYS HD2 . 18431 1 247 . 1 1 26 26 LYS HD3 H 1 1.718 0.002 . . . . . A 26 LYS HD3 . 18431 1 248 . 1 1 26 26 LYS HE2 H 1 2.935 0.003 . . . . . A 26 LYS HE2 . 18431 1 249 . 1 1 26 26 LYS HE3 H 1 2.935 0.003 . . . . . A 26 LYS HE3 . 18431 1 250 . 1 1 26 26 LYS CA C 13 60.095 0.138 . . . . . A 26 LYS CA . 18431 1 251 . 1 1 26 26 LYS CB C 13 31.623 0.132 . . . . . A 26 LYS CB . 18431 1 252 . 1 1 26 26 LYS CG C 13 25.051 0.055 . . . . . A 26 LYS CG . 18431 1 253 . 1 1 26 26 LYS CD C 13 29.321 0.003 . . . . . A 26 LYS CD . 18431 1 254 . 1 1 26 26 LYS CE C 13 41.681 0.109 . . . . . A 26 LYS CE . 18431 1 255 . 1 1 26 26 LYS N N 15 118.433 0.047 . . . . . A 26 LYS N . 18431 1 256 . 1 1 27 27 GLU H H 1 8.246 0.013 . . . . . A 27 GLU H . 18431 1 257 . 1 1 27 27 GLU HA H 1 3.945 0.015 . . . . . A 27 GLU HA . 18431 1 258 . 1 1 27 27 GLU HB2 H 1 2.124 0.015 . . . . . A 27 GLU HB2 . 18431 1 259 . 1 1 27 27 GLU HB3 H 1 2.124 0.015 . . . . . A 27 GLU HB3 . 18431 1 260 . 1 1 27 27 GLU HG2 H 1 2.290 0.007 . . . . . A 27 GLU HG2 . 18431 1 261 . 1 1 27 27 GLU HG3 H 1 2.375 0.007 . . . . . A 27 GLU HG3 . 18431 1 262 . 1 1 27 27 GLU CA C 13 59.509 0.101 . . . . . A 27 GLU CA . 18431 1 263 . 1 1 27 27 GLU CB C 13 29.199 0.128 . . . . . A 27 GLU CB . 18431 1 264 . 1 1 27 27 GLU CG C 13 36.106 0.110 . . . . . A 27 GLU CG . 18431 1 265 . 1 1 27 27 GLU N N 15 120.838 0.047 . . . . . A 27 GLU N . 18431 1 266 . 1 1 28 28 TRP H H 1 8.143 0.008 . . . . . A 28 TRP H . 18431 1 267 . 1 1 28 28 TRP HA H 1 4.597 0.015 . . . . . A 28 TRP HA . 18431 1 268 . 1 1 28 28 TRP HB2 H 1 3.554 0.015 . . . . . A 28 TRP HB2 . 18431 1 269 . 1 1 28 28 TRP HB3 H 1 3.239 0.011 . . . . . A 28 TRP HB3 . 18431 1 270 . 1 1 28 28 TRP HD1 H 1 7.342 0.011 . . . . . A 28 TRP HD1 . 18431 1 271 . 1 1 28 28 TRP HE1 H 1 10.715 0.006 . . . . . A 28 TRP HE1 . 18431 1 272 . 1 1 28 28 TRP HE3 H 1 7.487 0.008 . . . . . A 28 TRP HE3 . 18431 1 273 . 1 1 28 28 TRP HZ2 H 1 7.322 0.008 . . . . . A 28 TRP HZ2 . 18431 1 274 . 1 1 28 28 TRP HZ3 H 1 6.902 0.012 . . . . . A 28 TRP HZ3 . 18431 1 275 . 1 1 28 28 TRP HH2 H 1 7.012 0.010 . . . . . A 28 TRP HH2 . 18431 1 276 . 1 1 28 28 TRP CA C 13 59.443 0.060 . . . . . A 28 TRP CA . 18431 1 277 . 1 1 28 28 TRP CB C 13 29.083 0.155 . . . . . A 28 TRP CB . 18431 1 278 . 1 1 28 28 TRP CD1 C 13 125.819 0.106 . . . . . A 28 TRP CD1 . 18431 1 279 . 1 1 28 28 TRP CE3 C 13 120.084 0.000 . . . . . A 28 TRP CE3 . 18431 1 280 . 1 1 28 28 TRP CZ2 C 13 113.641 0.037 . . . . . A 28 TRP CZ2 . 18431 1 281 . 1 1 28 28 TRP CZ3 C 13 120.247 0.031 . . . . . A 28 TRP CZ3 . 18431 1 282 . 1 1 28 28 TRP CH2 C 13 122.625 0.159 . . . . . A 28 TRP CH2 . 18431 1 283 . 1 1 28 28 TRP N N 15 122.200 0.082 . . . . . A 28 TRP N . 18431 1 284 . 1 1 28 28 TRP NE1 N 15 129.885 0.011 . . . . . A 28 TRP NE1 . 18431 1 285 . 1 1 29 29 ILE H H 1 7.999 0.006 . . . . . A 29 ILE H . 18431 1 286 . 1 1 29 29 ILE HA H 1 2.742 0.012 . . . . . A 29 ILE HA . 18431 1 287 . 1 1 29 29 ILE HB H 1 1.105 0.010 . . . . . A 29 ILE HB . 18431 1 288 . 1 1 29 29 ILE HG12 H 1 -0.350 0.009 . . . . . A 29 ILE HG12 . 18431 1 289 . 1 1 29 29 ILE HG13 H 1 1.104 0.011 . . . . . A 29 ILE HG13 . 18431 1 290 . 1 1 29 29 ILE HG21 H 1 -0.232 0.009 . . . . . A 29 ILE HG21 . 18431 1 291 . 1 1 29 29 ILE HG22 H 1 -0.232 0.009 . . . . . A 29 ILE HG22 . 18431 1 292 . 1 1 29 29 ILE HG23 H 1 -0.232 0.009 . . . . . A 29 ILE HG23 . 18431 1 293 . 1 1 29 29 ILE HD11 H 1 0.466 0.013 . . . . . A 29 ILE HD11 . 18431 1 294 . 1 1 29 29 ILE HD12 H 1 0.466 0.013 . . . . . A 29 ILE HD12 . 18431 1 295 . 1 1 29 29 ILE HD13 H 1 0.466 0.013 . . . . . A 29 ILE HD13 . 18431 1 296 . 1 1 29 29 ILE CA C 13 62.759 0.052 . . . . . A 29 ILE CA . 18431 1 297 . 1 1 29 29 ILE CB C 13 37.992 0.132 . . . . . A 29 ILE CB . 18431 1 298 . 1 1 29 29 ILE CG1 C 13 29.063 0.169 . . . . . A 29 ILE CG1 . 18431 1 299 . 1 1 29 29 ILE CG2 C 13 16.580 0.136 . . . . . A 29 ILE CG2 . 18431 1 300 . 1 1 29 29 ILE CD1 C 13 15.771 0.140 . . . . . A 29 ILE CD1 . 18431 1 301 . 1 1 29 29 ILE N N 15 114.954 0.044 . . . . . A 29 ILE N . 18431 1 302 . 1 1 30 30 THR H H 1 7.622 0.011 . . . . . A 30 THR H . 18431 1 303 . 1 1 30 30 THR HA H 1 4.117 0.011 . . . . . A 30 THR HA . 18431 1 304 . 1 1 30 30 THR HB H 1 4.278 0.013 . . . . . A 30 THR HB . 18431 1 305 . 1 1 30 30 THR HG21 H 1 1.210 0.016 . . . . . A 30 THR HG21 . 18431 1 306 . 1 1 30 30 THR HG22 H 1 1.210 0.016 . . . . . A 30 THR HG22 . 18431 1 307 . 1 1 30 30 THR HG23 H 1 1.210 0.016 . . . . . A 30 THR HG23 . 18431 1 308 . 1 1 30 30 THR CA C 13 63.447 0.097 . . . . . A 30 THR CA . 18431 1 309 . 1 1 30 30 THR CB C 13 70.045 0.146 . . . . . A 30 THR CB . 18431 1 310 . 1 1 30 30 THR CG2 C 13 21.307 0.107 . . . . . A 30 THR CG2 . 18431 1 311 . 1 1 30 30 THR N N 15 106.869 0.101 . . . . . A 30 THR N . 18431 1 312 . 1 1 31 31 THR H H 1 7.588 0.009 . . . . . A 31 THR H . 18431 1 313 . 1 1 31 31 THR HA H 1 4.503 0.011 . . . . . A 31 THR HA . 18431 1 314 . 1 1 31 31 THR HB H 1 4.338 0.012 . . . . . A 31 THR HB . 18431 1 315 . 1 1 31 31 THR HG21 H 1 1.323 0.018 . . . . . A 31 THR HG21 . 18431 1 316 . 1 1 31 31 THR HG22 H 1 1.323 0.018 . . . . . A 31 THR HG22 . 18431 1 317 . 1 1 31 31 THR HG23 H 1 1.323 0.018 . . . . . A 31 THR HG23 . 18431 1 318 . 1 1 31 31 THR CA C 13 63.231 0.155 . . . . . A 31 THR CA . 18431 1 319 . 1 1 31 31 THR CB C 13 70.556 0.160 . . . . . A 31 THR CB . 18431 1 320 . 1 1 31 31 THR CG2 C 13 21.167 0.108 . . . . . A 31 THR CG2 . 18431 1 321 . 1 1 31 31 THR N N 15 111.890 0.061 . . . . . A 31 THR N . 18431 1 322 . 1 1 32 32 ILE H H 1 7.929 0.008 . . . . . A 32 ILE H . 18431 1 323 . 1 1 32 32 ILE HA H 1 4.499 0.013 . . . . . A 32 ILE HA . 18431 1 324 . 1 1 32 32 ILE HB H 1 2.457 0.013 . . . . . A 32 ILE HB . 18431 1 325 . 1 1 32 32 ILE HG12 H 1 1.658 0.014 . . . . . A 32 ILE HG12 . 18431 1 326 . 1 1 32 32 ILE HG13 H 1 1.658 0.014 . . . . . A 32 ILE HG13 . 18431 1 327 . 1 1 32 32 ILE HG21 H 1 0.890 0.012 . . . . . A 32 ILE HG21 . 18431 1 328 . 1 1 32 32 ILE HG22 H 1 0.890 0.012 . . . . . A 32 ILE HG22 . 18431 1 329 . 1 1 32 32 ILE HG23 H 1 0.890 0.012 . . . . . A 32 ILE HG23 . 18431 1 330 . 1 1 32 32 ILE HD11 H 1 0.882 0.014 . . . . . A 32 ILE HD11 . 18431 1 331 . 1 1 32 32 ILE HD12 H 1 0.882 0.014 . . . . . A 32 ILE HD12 . 18431 1 332 . 1 1 32 32 ILE HD13 H 1 0.882 0.014 . . . . . A 32 ILE HD13 . 18431 1 333 . 1 1 32 32 ILE CA C 13 59.426 0.119 . . . . . A 32 ILE CA . 18431 1 334 . 1 1 32 32 ILE CB C 13 37.378 0.111 . . . . . A 32 ILE CB . 18431 1 335 . 1 1 32 32 ILE CG1 C 13 27.292 0.112 . . . . . A 32 ILE CG1 . 18431 1 336 . 1 1 32 32 ILE CG2 C 13 17.621 0.108 . . . . . A 32 ILE CG2 . 18431 1 337 . 1 1 32 32 ILE CD1 C 13 11.550 0.128 . . . . . A 32 ILE CD1 . 18431 1 338 . 1 1 32 32 ILE N N 15 123.663 0.055 . . . . . A 32 ILE N . 18431 1 339 . 1 1 33 33 SER H H 1 8.418 0.008 . . . . . A 33 SER H . 18431 1 340 . 1 1 33 33 SER HA H 1 4.523 0.012 . . . . . A 33 SER HA . 18431 1 341 . 1 1 33 33 SER HB2 H 1 3.894 0.008 . . . . . A 33 SER HB2 . 18431 1 342 . 1 1 33 33 SER HB3 H 1 4.163 0.006 . . . . . A 33 SER HB3 . 18431 1 343 . 1 1 33 33 SER CA C 13 59.189 0.165 . . . . . A 33 SER CA . 18431 1 344 . 1 1 33 33 SER CB C 13 63.838 0.112 . . . . . A 33 SER CB . 18431 1 345 . 1 1 33 33 SER N N 15 119.544 0.095 . . . . . A 33 SER N . 18431 1 346 . 1 1 34 34 ASP H H 1 7.730 0.000 . . . . . A 34 ASP H . 18431 1 347 . 1 1 34 34 ASP HA H 1 4.821 0.007 . . . . . A 34 ASP HA . 18431 1 348 . 1 1 34 34 ASP HB2 H 1 2.371 0.003 . . . . . A 34 ASP HB2 . 18431 1 349 . 1 1 34 34 ASP HB3 H 1 2.490 0.004 . . . . . A 34 ASP HB3 . 18431 1 350 . 1 1 34 34 ASP CA C 13 51.168 0.161 . . . . . A 34 ASP CA . 18431 1 351 . 1 1 34 34 ASP CB C 13 41.139 0.061 . . . . . A 34 ASP CB . 18431 1 352 . 1 1 35 35 PRO HA H 1 4.167 0.016 . . . . . A 35 PRO HA . 18431 1 353 . 1 1 35 35 PRO HB2 H 1 1.403 0.008 . . . . . A 35 PRO HB2 . 18431 1 354 . 1 1 35 35 PRO HB3 H 1 1.403 0.008 . . . . . A 35 PRO HB3 . 18431 1 355 . 1 1 35 35 PRO HG2 H 1 -0.199 0.001 . . . . . A 35 PRO HG2 . 18431 1 356 . 1 1 35 35 PRO HG3 H 1 1.164 0.006 . . . . . A 35 PRO HG3 . 18431 1 357 . 1 1 35 35 PRO HD2 H 1 2.164 0.003 . . . . . A 35 PRO HD2 . 18431 1 358 . 1 1 35 35 PRO HD3 H 1 3.096 0.005 . . . . . A 35 PRO HD3 . 18431 1 359 . 1 1 35 35 PRO CA C 13 62.085 0.076 . . . . . A 35 PRO CA . 18431 1 360 . 1 1 35 35 PRO CB C 13 31.767 0.033 . . . . . A 35 PRO CB . 18431 1 361 . 1 1 35 35 PRO CG C 13 25.575 0.042 . . . . . A 35 PRO CG . 18431 1 362 . 1 1 35 35 PRO CD C 13 49.781 0.203 . . . . . A 35 PRO CD . 18431 1 363 . 1 1 36 36 MET H H 1 9.165 0.021 . . . . . A 36 MET H . 18431 1 364 . 1 1 36 36 MET HA H 1 4.565 0.014 . . . . . A 36 MET HA . 18431 1 365 . 1 1 36 36 MET HB2 H 1 2.654 0.007 . . . . . A 36 MET HB2 . 18431 1 366 . 1 1 36 36 MET HB3 H 1 2.842 0.008 . . . . . A 36 MET HB3 . 18431 1 367 . 1 1 36 36 MET HG2 H 1 2.116 0.011 . . . . . A 36 MET HG2 . 18431 1 368 . 1 1 36 36 MET HG3 H 1 2.306 0.010 . . . . . A 36 MET HG3 . 18431 1 369 . 1 1 36 36 MET HE1 H 1 2.128 0.006 . . . . . A 36 MET HE1 . 18431 1 370 . 1 1 36 36 MET HE2 H 1 2.128 0.006 . . . . . A 36 MET HE2 . 18431 1 371 . 1 1 36 36 MET HE3 H 1 2.128 0.006 . . . . . A 36 MET HE3 . 18431 1 372 . 1 1 36 36 MET CA C 13 53.867 0.110 . . . . . A 36 MET CA . 18431 1 373 . 1 1 36 36 MET CB C 13 32.411 0.090 . . . . . A 36 MET CB . 18431 1 374 . 1 1 36 36 MET CG C 13 33.910 0.207 . . . . . A 36 MET CG . 18431 1 375 . 1 1 36 36 MET CE C 13 16.899 0.000 . . . . . A 36 MET CE . 18431 1 376 . 1 1 36 36 MET N N 15 121.309 0.079 . . . . . A 36 MET N . 18431 1 377 . 1 1 37 37 GLU H H 1 9.034 0.010 . . . . . A 37 GLU H . 18431 1 378 . 1 1 37 37 GLU HA H 1 3.744 0.013 . . . . . A 37 GLU HA . 18431 1 379 . 1 1 37 37 GLU HB2 H 1 1.935 0.008 . . . . . A 37 GLU HB2 . 18431 1 380 . 1 1 37 37 GLU HB3 H 1 2.029 0.010 . . . . . A 37 GLU HB3 . 18431 1 381 . 1 1 37 37 GLU HG2 H 1 2.290 0.008 . . . . . A 37 GLU HG2 . 18431 1 382 . 1 1 37 37 GLU HG3 H 1 2.118 0.010 . . . . . A 37 GLU HG3 . 18431 1 383 . 1 1 37 37 GLU CA C 13 60.307 0.110 . . . . . A 37 GLU CA . 18431 1 384 . 1 1 37 37 GLU CB C 13 29.448 0.192 . . . . . A 37 GLU CB . 18431 1 385 . 1 1 37 37 GLU CG C 13 36.247 0.149 . . . . . A 37 GLU CG . 18431 1 386 . 1 1 37 37 GLU N N 15 125.284 0.008 . . . . . A 37 GLU N . 18431 1 387 . 1 1 38 38 GLU H H 1 9.356 0.014 . . . . . A 38 GLU H . 18431 1 388 . 1 1 38 38 GLU HA H 1 4.003 0.019 . . . . . A 38 GLU HA . 18431 1 389 . 1 1 38 38 GLU HB2 H 1 2.141 0.010 . . . . . A 38 GLU HB2 . 18431 1 390 . 1 1 38 38 GLU HB3 H 1 1.988 0.003 . . . . . A 38 GLU HB3 . 18431 1 391 . 1 1 38 38 GLU HG2 H 1 2.081 0.002 . . . . . A 38 GLU HG2 . 18431 1 392 . 1 1 38 38 GLU HG3 H 1 2.278 0.009 . . . . . A 38 GLU HG3 . 18431 1 393 . 1 1 38 38 GLU CA C 13 59.588 0.128 . . . . . A 38 GLU CA . 18431 1 394 . 1 1 38 38 GLU CB C 13 29.280 0.180 . . . . . A 38 GLU CB . 18431 1 395 . 1 1 38 38 GLU CG C 13 33.811 0.096 . . . . . A 38 GLU CG . 18431 1 396 . 1 1 38 38 GLU N N 15 116.000 0.000 . . . . . A 38 GLU N . 18431 1 397 . 1 1 39 39 ASP H H 1 7.169 0.014 . . . . . A 39 ASP H . 18431 1 398 . 1 1 39 39 ASP HA H 1 4.493 0.016 . . . . . A 39 ASP HA . 18431 1 399 . 1 1 39 39 ASP HB2 H 1 2.531 0.011 . . . . . A 39 ASP HB2 . 18431 1 400 . 1 1 39 39 ASP HB3 H 1 3.000 0.012 . . . . . A 39 ASP HB3 . 18431 1 401 . 1 1 39 39 ASP CA C 13 57.231 0.095 . . . . . A 39 ASP CA . 18431 1 402 . 1 1 39 39 ASP CB C 13 41.226 0.134 . . . . . A 39 ASP CB . 18431 1 403 . 1 1 39 39 ASP N N 15 118.974 0.124 . . . . . A 39 ASP N . 18431 1 404 . 1 1 40 40 ILE H H 1 7.766 0.012 . . . . . A 40 ILE H . 18431 1 405 . 1 1 40 40 ILE HA H 1 3.845 0.015 . . . . . A 40 ILE HA . 18431 1 406 . 1 1 40 40 ILE HB H 1 2.089 0.017 . . . . . A 40 ILE HB . 18431 1 407 . 1 1 40 40 ILE HG12 H 1 1.157 0.017 . . . . . A 40 ILE HG12 . 18431 1 408 . 1 1 40 40 ILE HG13 H 1 1.802 0.011 . . . . . A 40 ILE HG13 . 18431 1 409 . 1 1 40 40 ILE HG21 H 1 1.072 0.013 . . . . . A 40 ILE HG21 . 18431 1 410 . 1 1 40 40 ILE HG22 H 1 1.072 0.013 . . . . . A 40 ILE HG22 . 18431 1 411 . 1 1 40 40 ILE HG23 H 1 1.072 0.013 . . . . . A 40 ILE HG23 . 18431 1 412 . 1 1 40 40 ILE HD11 H 1 0.664 0.010 . . . . . A 40 ILE HD11 . 18431 1 413 . 1 1 40 40 ILE HD12 H 1 0.664 0.010 . . . . . A 40 ILE HD12 . 18431 1 414 . 1 1 40 40 ILE HD13 H 1 0.664 0.010 . . . . . A 40 ILE HD13 . 18431 1 415 . 1 1 40 40 ILE CA C 13 65.345 0.132 . . . . . A 40 ILE CA . 18431 1 416 . 1 1 40 40 ILE CB C 13 37.500 0.072 . . . . . A 40 ILE CB . 18431 1 417 . 1 1 40 40 ILE CG1 C 13 29.119 0.046 . . . . . A 40 ILE CG1 . 18431 1 418 . 1 1 40 40 ILE CG2 C 13 18.356 0.079 . . . . . A 40 ILE CG2 . 18431 1 419 . 1 1 40 40 ILE CD1 C 13 12.788 0.127 . . . . . A 40 ILE CD1 . 18431 1 420 . 1 1 40 40 ILE N N 15 120.269 0.017 . . . . . A 40 ILE N . 18431 1 421 . 1 1 41 41 LEU H H 1 8.726 0.008 . . . . . A 41 LEU H . 18431 1 422 . 1 1 41 41 LEU HA H 1 4.131 0.017 . . . . . A 41 LEU HA . 18431 1 423 . 1 1 41 41 LEU HB2 H 1 1.554 0.013 . . . . . A 41 LEU HB2 . 18431 1 424 . 1 1 41 41 LEU HB3 H 1 1.928 0.013 . . . . . A 41 LEU HB3 . 18431 1 425 . 1 1 41 41 LEU HG H 1 1.868 0.016 . . . . . A 41 LEU HG . 18431 1 426 . 1 1 41 41 LEU HD11 H 1 0.950 0.011 . . . . . A 41 LEU HD11 . 18431 1 427 . 1 1 41 41 LEU HD12 H 1 0.950 0.011 . . . . . A 41 LEU HD12 . 18431 1 428 . 1 1 41 41 LEU HD13 H 1 0.950 0.011 . . . . . A 41 LEU HD13 . 18431 1 429 . 1 1 41 41 LEU HD21 H 1 1.015 0.014 . . . . . A 41 LEU HD21 . 18431 1 430 . 1 1 41 41 LEU HD22 H 1 1.015 0.014 . . . . . A 41 LEU HD22 . 18431 1 431 . 1 1 41 41 LEU HD23 H 1 1.015 0.014 . . . . . A 41 LEU HD23 . 18431 1 432 . 1 1 41 41 LEU CA C 13 57.835 0.091 . . . . . A 41 LEU CA . 18431 1 433 . 1 1 41 41 LEU CB C 13 40.819 0.064 . . . . . A 41 LEU CB . 18431 1 434 . 1 1 41 41 LEU CG C 13 27.026 0.150 . . . . . A 41 LEU CG . 18431 1 435 . 1 1 41 41 LEU CD1 C 13 25.008 0.103 . . . . . A 41 LEU CD1 . 18431 1 436 . 1 1 41 41 LEU CD2 C 13 22.226 0.138 . . . . . A 41 LEU CD2 . 18431 1 437 . 1 1 41 41 LEU N N 15 118.715 0.070 . . . . . A 41 LEU N . 18431 1 438 . 1 1 42 42 GLN H H 1 7.768 0.009 . . . . . A 42 GLN H . 18431 1 439 . 1 1 42 42 GLN HA H 1 4.177 0.013 . . . . . A 42 GLN HA . 18431 1 440 . 1 1 42 42 GLN HB2 H 1 2.205 0.010 . . . . . A 42 GLN HB2 . 18431 1 441 . 1 1 42 42 GLN HB3 H 1 2.371 0.011 . . . . . A 42 GLN HB3 . 18431 1 442 . 1 1 42 42 GLN HG2 H 1 2.436 0.012 . . . . . A 42 GLN HG2 . 18431 1 443 . 1 1 42 42 GLN HG3 H 1 2.635 0.010 . . . . . A 42 GLN HG3 . 18431 1 444 . 1 1 42 42 GLN HE21 H 1 6.853 0.001 . . . . . A 42 GLN HE21 . 18431 1 445 . 1 1 42 42 GLN HE22 H 1 7.374 0.008 . . . . . A 42 GLN HE22 . 18431 1 446 . 1 1 42 42 GLN CA C 13 59.241 0.073 . . . . . A 42 GLN CA . 18431 1 447 . 1 1 42 42 GLN CB C 13 28.518 0.115 . . . . . A 42 GLN CB . 18431 1 448 . 1 1 42 42 GLN CG C 13 34.303 0.189 . . . . . A 42 GLN CG . 18431 1 449 . 1 1 42 42 GLN N N 15 119.539 0.029 . . . . . A 42 GLN N . 18431 1 450 . 1 1 42 42 GLN NE2 N 15 112.126 0.077 . . . . . A 42 GLN NE2 . 18431 1 451 . 1 1 43 43 VAL H H 1 7.712 0.004 . . . . . A 43 VAL H . 18431 1 452 . 1 1 43 43 VAL HA H 1 3.787 0.015 . . . . . A 43 VAL HA . 18431 1 453 . 1 1 43 43 VAL HB H 1 2.583 0.012 . . . . . A 43 VAL HB . 18431 1 454 . 1 1 43 43 VAL HG11 H 1 1.066 0.017 . . . . . A 43 VAL HG11 . 18431 1 455 . 1 1 43 43 VAL HG12 H 1 1.066 0.017 . . . . . A 43 VAL HG12 . 18431 1 456 . 1 1 43 43 VAL HG13 H 1 1.066 0.017 . . . . . A 43 VAL HG13 . 18431 1 457 . 1 1 43 43 VAL HG21 H 1 1.179 0.016 . . . . . A 43 VAL HG21 . 18431 1 458 . 1 1 43 43 VAL HG22 H 1 1.179 0.016 . . . . . A 43 VAL HG22 . 18431 1 459 . 1 1 43 43 VAL HG23 H 1 1.179 0.016 . . . . . A 43 VAL HG23 . 18431 1 460 . 1 1 43 43 VAL CA C 13 66.760 0.248 . . . . . A 43 VAL CA . 18431 1 461 . 1 1 43 43 VAL CB C 13 31.423 0.155 . . . . . A 43 VAL CB . 18431 1 462 . 1 1 43 43 VAL CG1 C 13 23.045 0.186 . . . . . A 43 VAL CG1 . 18431 1 463 . 1 1 43 43 VAL CG2 C 13 22.539 0.317 . . . . . A 43 VAL CG2 . 18431 1 464 . 1 1 43 43 VAL N N 15 121.194 0.038 . . . . . A 43 VAL N . 18431 1 465 . 1 1 44 44 VAL H H 1 8.232 0.012 . . . . . A 44 VAL H . 18431 1 466 . 1 1 44 44 VAL HA H 1 3.422 0.014 . . . . . A 44 VAL HA . 18431 1 467 . 1 1 44 44 VAL HB H 1 2.395 0.010 . . . . . A 44 VAL HB . 18431 1 468 . 1 1 44 44 VAL HG11 H 1 0.871 0.009 . . . . . A 44 VAL HG11 . 18431 1 469 . 1 1 44 44 VAL HG12 H 1 0.871 0.009 . . . . . A 44 VAL HG12 . 18431 1 470 . 1 1 44 44 VAL HG13 H 1 0.871 0.009 . . . . . A 44 VAL HG13 . 18431 1 471 . 1 1 44 44 VAL HG21 H 1 1.216 0.014 . . . . . A 44 VAL HG21 . 18431 1 472 . 1 1 44 44 VAL HG22 H 1 1.216 0.014 . . . . . A 44 VAL HG22 . 18431 1 473 . 1 1 44 44 VAL HG23 H 1 1.216 0.014 . . . . . A 44 VAL HG23 . 18431 1 474 . 1 1 44 44 VAL CA C 13 67.910 0.164 . . . . . A 44 VAL CA . 18431 1 475 . 1 1 44 44 VAL CB C 13 31.392 0.084 . . . . . A 44 VAL CB . 18431 1 476 . 1 1 44 44 VAL CG1 C 13 21.585 0.222 . . . . . A 44 VAL CG1 . 18431 1 477 . 1 1 44 44 VAL CG2 C 13 24.511 0.085 . . . . . A 44 VAL CG2 . 18431 1 478 . 1 1 44 44 VAL N N 15 120.876 0.049 . . . . . A 44 VAL N . 18431 1 479 . 1 1 45 45 ARG H H 1 8.489 0.014 . . . . . A 45 ARG H . 18431 1 480 . 1 1 45 45 ARG HA H 1 4.148 0.010 . . . . . A 45 ARG HA . 18431 1 481 . 1 1 45 45 ARG HB2 H 1 1.979 0.007 . . . . . A 45 ARG HB2 . 18431 1 482 . 1 1 45 45 ARG HB3 H 1 2.080 0.008 . . . . . A 45 ARG HB3 . 18431 1 483 . 1 1 45 45 ARG HG2 H 1 1.764 0.011 . . . . . A 45 ARG HG2 . 18431 1 484 . 1 1 45 45 ARG HG3 H 1 1.807 0.005 . . . . . A 45 ARG HG3 . 18431 1 485 . 1 1 45 45 ARG HD2 H 1 3.248 0.006 . . . . . A 45 ARG HD2 . 18431 1 486 . 1 1 45 45 ARG HD3 H 1 3.284 0.004 . . . . . A 45 ARG HD3 . 18431 1 487 . 1 1 45 45 ARG CA C 13 58.593 0.194 . . . . . A 45 ARG CA . 18431 1 488 . 1 1 45 45 ARG CB C 13 29.608 0.128 . . . . . A 45 ARG CB . 18431 1 489 . 1 1 45 45 ARG CG C 13 26.913 0.119 . . . . . A 45 ARG CG . 18431 1 490 . 1 1 45 45 ARG CD C 13 42.990 0.111 . . . . . A 45 ARG CD . 18431 1 491 . 1 1 45 45 ARG N N 15 120.934 0.048 . . . . . A 45 ARG N . 18431 1 492 . 1 1 46 46 TYR H H 1 7.870 0.013 . . . . . A 46 TYR H . 18431 1 493 . 1 1 46 46 TYR HA H 1 4.547 0.017 . . . . . A 46 TYR HA . 18431 1 494 . 1 1 46 46 TYR HB2 H 1 3.215 0.009 . . . . . A 46 TYR HB2 . 18431 1 495 . 1 1 46 46 TYR HB3 H 1 3.309 0.010 . . . . . A 46 TYR HB3 . 18431 1 496 . 1 1 46 46 TYR HD1 H 1 6.996 0.013 . . . . . A 46 TYR HD1 . 18431 1 497 . 1 1 46 46 TYR HD2 H 1 6.996 0.013 . . . . . A 46 TYR HD2 . 18431 1 498 . 1 1 46 46 TYR HE1 H 1 6.568 0.010 . . . . . A 46 TYR HE1 . 18431 1 499 . 1 1 46 46 TYR HE2 H 1 6.568 0.010 . . . . . A 46 TYR HE2 . 18431 1 500 . 1 1 46 46 TYR CA C 13 60.926 0.067 . . . . . A 46 TYR CA . 18431 1 501 . 1 1 46 46 TYR CB C 13 38.447 0.116 . . . . . A 46 TYR CB . 18431 1 502 . 1 1 46 46 TYR CD1 C 13 132.419 0.101 . . . . . A 46 TYR CD1 . 18431 1 503 . 1 1 46 46 TYR CE1 C 13 116.840 0.077 . . . . . A 46 TYR CE1 . 18431 1 504 . 1 1 46 46 TYR N N 15 120.548 0.038 . . . . . A 46 TYR N . 18431 1 505 . 1 1 47 47 CYS H H 1 8.109 0.017 . . . . . A 47 CYS H . 18431 1 506 . 1 1 47 47 CYS HA H 1 3.738 0.010 . . . . . A 47 CYS HA . 18431 1 507 . 1 1 47 47 CYS HB2 H 1 2.410 0.010 . . . . . A 47 CYS HB2 . 18431 1 508 . 1 1 47 47 CYS HB3 H 1 3.209 0.011 . . . . . A 47 CYS HB3 . 18431 1 509 . 1 1 47 47 CYS CA C 13 64.313 0.055 . . . . . A 47 CYS CA . 18431 1 510 . 1 1 47 47 CYS CB C 13 27.744 0.118 . . . . . A 47 CYS CB . 18431 1 511 . 1 1 47 47 CYS N N 15 115.132 0.041 . . . . . A 47 CYS N . 18431 1 512 . 1 1 48 48 THR H H 1 8.776 0.009 . . . . . A 48 THR H . 18431 1 513 . 1 1 48 48 THR HA H 1 3.877 0.016 . . . . . A 48 THR HA . 18431 1 514 . 1 1 48 48 THR HB H 1 4.476 0.010 . . . . . A 48 THR HB . 18431 1 515 . 1 1 48 48 THR HG21 H 1 1.229 0.017 . . . . . A 48 THR HG21 . 18431 1 516 . 1 1 48 48 THR HG22 H 1 1.229 0.017 . . . . . A 48 THR HG22 . 18431 1 517 . 1 1 48 48 THR HG23 H 1 1.229 0.017 . . . . . A 48 THR HG23 . 18431 1 518 . 1 1 48 48 THR CA C 13 66.755 0.082 . . . . . A 48 THR CA . 18431 1 519 . 1 1 48 48 THR CB C 13 67.593 0.071 . . . . . A 48 THR CB . 18431 1 520 . 1 1 48 48 THR CG2 C 13 21.198 0.140 . . . . . A 48 THR CG2 . 18431 1 521 . 1 1 48 48 THR N N 15 114.153 0.044 . . . . . A 48 THR N . 18431 1 522 . 1 1 49 49 ASP H H 1 8.697 0.006 . . . . . A 49 ASP H . 18431 1 523 . 1 1 49 49 ASP HA H 1 4.425 0.010 . . . . . A 49 ASP HA . 18431 1 524 . 1 1 49 49 ASP HB2 H 1 2.537 0.009 . . . . . A 49 ASP HB2 . 18431 1 525 . 1 1 49 49 ASP HB3 H 1 3.136 0.014 . . . . . A 49 ASP HB3 . 18431 1 526 . 1 1 49 49 ASP CA C 13 57.688 0.133 . . . . . A 49 ASP CA . 18431 1 527 . 1 1 49 49 ASP CB C 13 39.249 0.232 . . . . . A 49 ASP CB . 18431 1 528 . 1 1 49 49 ASP N N 15 126.528 0.040 . . . . . A 49 ASP N . 18431 1 529 . 1 1 50 50 LEU HA H 1 3.924 0.009 . . . . . A 50 LEU HA . 18431 1 530 . 1 1 50 50 LEU HB2 H 1 2.129 0.002 . . . . . A 50 LEU HB2 . 18431 1 531 . 1 1 50 50 LEU HB3 H 1 1.272 0.006 . . . . . A 50 LEU HB3 . 18431 1 532 . 1 1 50 50 LEU HG H 1 1.355 0.004 . . . . . A 50 LEU HG . 18431 1 533 . 1 1 50 50 LEU HD11 H 1 0.540 0.006 . . . . . A 50 LEU HD11 . 18431 1 534 . 1 1 50 50 LEU HD12 H 1 0.540 0.006 . . . . . A 50 LEU HD12 . 18431 1 535 . 1 1 50 50 LEU HD13 H 1 0.540 0.006 . . . . . A 50 LEU HD13 . 18431 1 536 . 1 1 50 50 LEU HD21 H 1 0.787 0.007 . . . . . A 50 LEU HD21 . 18431 1 537 . 1 1 50 50 LEU HD22 H 1 0.787 0.007 . . . . . A 50 LEU HD22 . 18431 1 538 . 1 1 50 50 LEU HD23 H 1 0.787 0.007 . . . . . A 50 LEU HD23 . 18431 1 539 . 1 1 50 50 LEU CA C 13 58.157 0.043 . . . . . A 50 LEU CA . 18431 1 540 . 1 1 50 50 LEU CB C 13 41.408 0.058 . . . . . A 50 LEU CB . 18431 1 541 . 1 1 50 50 LEU CG C 13 25.554 0.004 . . . . . A 50 LEU CG . 18431 1 542 . 1 1 50 50 LEU CD1 C 13 25.288 0.102 . . . . . A 50 LEU CD1 . 18431 1 543 . 1 1 50 50 LEU CD2 C 13 22.764 0.070 . . . . . A 50 LEU CD2 . 18431 1 544 . 1 1 51 51 ILE H H 1 7.639 0.013 . . . . . A 51 ILE H . 18431 1 545 . 1 1 51 51 ILE HA H 1 3.417 0.020 . . . . . A 51 ILE HA . 18431 1 546 . 1 1 51 51 ILE HB H 1 2.152 0.005 . . . . . A 51 ILE HB . 18431 1 547 . 1 1 51 51 ILE HG12 H 1 0.740 0.006 . . . . . A 51 ILE HG12 . 18431 1 548 . 1 1 51 51 ILE HG13 H 1 2.057 0.004 . . . . . A 51 ILE HG13 . 18431 1 549 . 1 1 51 51 ILE HG21 H 1 0.947 0.006 . . . . . A 51 ILE HG21 . 18431 1 550 . 1 1 51 51 ILE HG22 H 1 0.947 0.006 . . . . . A 51 ILE HG22 . 18431 1 551 . 1 1 51 51 ILE HG23 H 1 0.947 0.006 . . . . . A 51 ILE HG23 . 18431 1 552 . 1 1 51 51 ILE HD11 H 1 0.849 0.006 . . . . . A 51 ILE HD11 . 18431 1 553 . 1 1 51 51 ILE HD12 H 1 0.849 0.006 . . . . . A 51 ILE HD12 . 18431 1 554 . 1 1 51 51 ILE HD13 H 1 0.849 0.006 . . . . . A 51 ILE HD13 . 18431 1 555 . 1 1 51 51 ILE CA C 13 66.261 0.097 . . . . . A 51 ILE CA . 18431 1 556 . 1 1 51 51 ILE CB C 13 37.691 0.073 . . . . . A 51 ILE CB . 18431 1 557 . 1 1 51 51 ILE CG1 C 13 30.720 0.055 . . . . . A 51 ILE CG1 . 18431 1 558 . 1 1 51 51 ILE CG2 C 13 17.874 0.102 . . . . . A 51 ILE CG2 . 18431 1 559 . 1 1 51 51 ILE CD1 C 13 15.064 0.131 . . . . . A 51 ILE CD1 . 18431 1 560 . 1 1 51 51 ILE N N 15 118.832 0.081 . . . . . A 51 ILE N . 18431 1 561 . 1 1 52 52 GLU H H 1 8.506 0.009 . . . . . A 52 GLU H . 18431 1 562 . 1 1 52 52 GLU HA H 1 4.001 0.013 . . . . . A 52 GLU HA . 18431 1 563 . 1 1 52 52 GLU HB2 H 1 2.123 0.006 . . . . . A 52 GLU HB2 . 18431 1 564 . 1 1 52 52 GLU HB3 H 1 2.192 0.012 . . . . . A 52 GLU HB3 . 18431 1 565 . 1 1 52 52 GLU HG2 H 1 2.280 0.005 . . . . . A 52 GLU HG2 . 18431 1 566 . 1 1 52 52 GLU HG3 H 1 2.475 0.008 . . . . . A 52 GLU HG3 . 18431 1 567 . 1 1 52 52 GLU CA C 13 59.592 0.079 . . . . . A 52 GLU CA . 18431 1 568 . 1 1 52 52 GLU CB C 13 29.068 0.108 . . . . . A 52 GLU CB . 18431 1 569 . 1 1 52 52 GLU CG C 13 36.300 0.165 . . . . . A 52 GLU CG . 18431 1 570 . 1 1 52 52 GLU N N 15 123.247 0.032 . . . . . A 52 GLU N . 18431 1 571 . 1 1 53 53 GLU H H 1 7.716 0.012 . . . . . A 53 GLU H . 18431 1 572 . 1 1 53 53 GLU HA H 1 4.294 0.017 . . . . . A 53 GLU HA . 18431 1 573 . 1 1 53 53 GLU HB2 H 1 2.257 0.011 . . . . . A 53 GLU HB2 . 18431 1 574 . 1 1 53 53 GLU HB3 H 1 1.973 0.010 . . . . . A 53 GLU HB3 . 18431 1 575 . 1 1 53 53 GLU HG2 H 1 2.226 0.004 . . . . . A 53 GLU HG2 . 18431 1 576 . 1 1 53 53 GLU HG3 H 1 2.383 0.007 . . . . . A 53 GLU HG3 . 18431 1 577 . 1 1 53 53 GLU CA C 13 55.907 0.233 . . . . . A 53 GLU CA . 18431 1 578 . 1 1 53 53 GLU CB C 13 29.710 0.204 . . . . . A 53 GLU CB . 18431 1 579 . 1 1 53 53 GLU CG C 13 36.207 0.077 . . . . . A 53 GLU CG . 18431 1 580 . 1 1 53 53 GLU N N 15 116.384 0.031 . . . . . A 53 GLU N . 18431 1 581 . 1 1 54 54 LYS H H 1 8.089 0.014 . . . . . A 54 LYS H . 18431 1 582 . 1 1 54 54 LYS HA H 1 3.662 0.007 . . . . . A 54 LYS HA . 18431 1 583 . 1 1 54 54 LYS HB2 H 1 2.080 0.010 . . . . . A 54 LYS HB2 . 18431 1 584 . 1 1 54 54 LYS HB3 H 1 2.172 0.010 . . . . . A 54 LYS HB3 . 18431 1 585 . 1 1 54 54 LYS HG2 H 1 1.458 0.008 . . . . . A 54 LYS HG2 . 18431 1 586 . 1 1 54 54 LYS HG3 H 1 1.268 0.007 . . . . . A 54 LYS HG3 . 18431 1 587 . 1 1 54 54 LYS HD2 H 1 1.647 0.003 . . . . . A 54 LYS HD2 . 18431 1 588 . 1 1 54 54 LYS HD3 H 1 1.731 0.004 . . . . . A 54 LYS HD3 . 18431 1 589 . 1 1 54 54 LYS HE2 H 1 2.842 0.005 . . . . . A 54 LYS HE2 . 18431 1 590 . 1 1 54 54 LYS HE3 H 1 2.924 0.011 . . . . . A 54 LYS HE3 . 18431 1 591 . 1 1 54 54 LYS CA C 13 57.278 0.084 . . . . . A 54 LYS CA . 18431 1 592 . 1 1 54 54 LYS CB C 13 29.785 0.109 . . . . . A 54 LYS CB . 18431 1 593 . 1 1 54 54 LYS CG C 13 26.033 0.116 . . . . . A 54 LYS CG . 18431 1 594 . 1 1 54 54 LYS CD C 13 29.469 0.012 . . . . . A 54 LYS CD . 18431 1 595 . 1 1 54 54 LYS CE C 13 41.945 0.105 . . . . . A 54 LYS CE . 18431 1 596 . 1 1 54 54 LYS N N 15 116.934 0.076 . . . . . A 54 LYS N . 18431 1 597 . 1 1 55 55 ASP H H 1 8.497 0.012 . . . . . A 55 ASP H . 18431 1 598 . 1 1 55 55 ASP HA H 1 5.058 0.008 . . . . . A 55 ASP HA . 18431 1 599 . 1 1 55 55 ASP HB2 H 1 3.038 0.011 . . . . . A 55 ASP HB2 . 18431 1 600 . 1 1 55 55 ASP HB3 H 1 2.237 0.011 . . . . . A 55 ASP HB3 . 18431 1 601 . 1 1 55 55 ASP CA C 13 51.306 0.095 . . . . . A 55 ASP CA . 18431 1 602 . 1 1 55 55 ASP CB C 13 38.856 0.197 . . . . . A 55 ASP CB . 18431 1 603 . 1 1 55 55 ASP N N 15 122.549 0.034 . . . . . A 55 ASP N . 18431 1 604 . 1 1 56 56 LEU H H 1 7.578 0.009 . . . . . A 56 LEU H . 18431 1 605 . 1 1 56 56 LEU HA H 1 3.901 0.011 . . . . . A 56 LEU HA . 18431 1 606 . 1 1 56 56 LEU HB2 H 1 1.431 0.014 . . . . . A 56 LEU HB2 . 18431 1 607 . 1 1 56 56 LEU HB3 H 1 1.703 0.005 . . . . . A 56 LEU HB3 . 18431 1 608 . 1 1 56 56 LEU HG H 1 1.465 0.008 . . . . . A 56 LEU HG . 18431 1 609 . 1 1 56 56 LEU HD11 H 1 0.632 0.014 . . . . . A 56 LEU HD11 . 18431 1 610 . 1 1 56 56 LEU HD12 H 1 0.632 0.014 . . . . . A 56 LEU HD12 . 18431 1 611 . 1 1 56 56 LEU HD13 H 1 0.632 0.014 . . . . . A 56 LEU HD13 . 18431 1 612 . 1 1 56 56 LEU HD21 H 1 0.619 0.017 . . . . . A 56 LEU HD21 . 18431 1 613 . 1 1 56 56 LEU HD22 H 1 0.619 0.017 . . . . . A 56 LEU HD22 . 18431 1 614 . 1 1 56 56 LEU HD23 H 1 0.619 0.017 . . . . . A 56 LEU HD23 . 18431 1 615 . 1 1 56 56 LEU CA C 13 56.528 0.075 . . . . . A 56 LEU CA . 18431 1 616 . 1 1 56 56 LEU CB C 13 40.034 0.094 . . . . . A 56 LEU CB . 18431 1 617 . 1 1 56 56 LEU CG C 13 27.359 0.112 . . . . . A 56 LEU CG . 18431 1 618 . 1 1 56 56 LEU CD1 C 13 22.394 0.074 . . . . . A 56 LEU CD1 . 18431 1 619 . 1 1 56 56 LEU CD2 C 13 24.588 0.054 . . . . . A 56 LEU CD2 . 18431 1 620 . 1 1 56 56 LEU N N 15 119.627 0.033 . . . . . A 56 LEU N . 18431 1 621 . 1 1 57 57 GLU H H 1 8.614 0.016 . . . . . A 57 GLU H . 18431 1 622 . 1 1 57 57 GLU HA H 1 4.041 0.020 . . . . . A 57 GLU HA . 18431 1 623 . 1 1 57 57 GLU HB2 H 1 1.939 0.006 . . . . . A 57 GLU HB2 . 18431 1 624 . 1 1 57 57 GLU HB3 H 1 2.035 0.010 . . . . . A 57 GLU HB3 . 18431 1 625 . 1 1 57 57 GLU HG2 H 1 2.167 0.007 . . . . . A 57 GLU HG2 . 18431 1 626 . 1 1 57 57 GLU HG3 H 1 2.282 0.012 . . . . . A 57 GLU HG3 . 18431 1 627 . 1 1 57 57 GLU CA C 13 59.321 0.138 . . . . . A 57 GLU CA . 18431 1 628 . 1 1 57 57 GLU CB C 13 29.229 0.100 . . . . . A 57 GLU CB . 18431 1 629 . 1 1 57 57 GLU CG C 13 36.372 0.133 . . . . . A 57 GLU CG . 18431 1 630 . 1 1 57 57 GLU N N 15 121.433 0.039 . . . . . A 57 GLU N . 18431 1 631 . 1 1 58 58 LYS H H 1 7.527 0.005 . . . . . A 58 LYS H . 18431 1 632 . 1 1 58 58 LYS HA H 1 3.760 0.015 . . . . . A 58 LYS HA . 18431 1 633 . 1 1 58 58 LYS HB2 H 1 1.546 0.005 . . . . . A 58 LYS HB2 . 18431 1 634 . 1 1 58 58 LYS HB3 H 1 1.789 0.009 . . . . . A 58 LYS HB3 . 18431 1 635 . 1 1 58 58 LYS HG2 H 1 1.288 0.011 . . . . . A 58 LYS HG2 . 18431 1 636 . 1 1 58 58 LYS HG3 H 1 1.362 0.002 . . . . . A 58 LYS HG3 . 18431 1 637 . 1 1 58 58 LYS HD2 H 1 1.640 0.007 . . . . . A 58 LYS HD2 . 18431 1 638 . 1 1 58 58 LYS HD3 H 1 1.640 0.007 . . . . . A 58 LYS HD3 . 18431 1 639 . 1 1 58 58 LYS HE2 H 1 2.989 0.007 . . . . . A 58 LYS HE2 . 18431 1 640 . 1 1 58 58 LYS HE3 H 1 2.989 0.007 . . . . . A 58 LYS HE3 . 18431 1 641 . 1 1 58 58 LYS CA C 13 59.273 0.168 . . . . . A 58 LYS CA . 18431 1 642 . 1 1 58 58 LYS CB C 13 32.370 0.043 . . . . . A 58 LYS CB . 18431 1 643 . 1 1 58 58 LYS CG C 13 25.485 0.120 . . . . . A 58 LYS CG . 18431 1 644 . 1 1 58 58 LYS CD C 13 29.009 0.068 . . . . . A 58 LYS CD . 18431 1 645 . 1 1 58 58 LYS CE C 13 41.239 0.210 . . . . . A 58 LYS CE . 18431 1 646 . 1 1 58 58 LYS N N 15 119.832 0.082 . . . . . A 58 LYS N . 18431 1 647 . 1 1 59 59 LEU H H 1 7.570 0.006 . . . . . A 59 LEU H . 18431 1 648 . 1 1 59 59 LEU HA H 1 3.912 0.014 . . . . . A 59 LEU HA . 18431 1 649 . 1 1 59 59 LEU HB2 H 1 1.327 0.015 . . . . . A 59 LEU HB2 . 18431 1 650 . 1 1 59 59 LEU HB3 H 1 1.977 0.009 . . . . . A 59 LEU HB3 . 18431 1 651 . 1 1 59 59 LEU HD11 H 1 0.868 0.014 . . . . . A 59 LEU HD11 . 18431 1 652 . 1 1 59 59 LEU HD12 H 1 0.868 0.014 . . . . . A 59 LEU HD12 . 18431 1 653 . 1 1 59 59 LEU HD13 H 1 0.868 0.014 . . . . . A 59 LEU HD13 . 18431 1 654 . 1 1 59 59 LEU HD21 H 1 0.968 0.017 . . . . . A 59 LEU HD21 . 18431 1 655 . 1 1 59 59 LEU HD22 H 1 0.968 0.017 . . . . . A 59 LEU HD22 . 18431 1 656 . 1 1 59 59 LEU HD23 H 1 0.968 0.017 . . . . . A 59 LEU HD23 . 18431 1 657 . 1 1 59 59 LEU CA C 13 57.865 0.078 . . . . . A 59 LEU CA . 18431 1 658 . 1 1 59 59 LEU CB C 13 41.382 0.115 . . . . . A 59 LEU CB . 18431 1 659 . 1 1 59 59 LEU CD1 C 13 26.456 0.120 . . . . . A 59 LEU CD1 . 18431 1 660 . 1 1 59 59 LEU CD2 C 13 23.154 0.079 . . . . . A 59 LEU CD2 . 18431 1 661 . 1 1 59 59 LEU N N 15 117.844 0.030 . . . . . A 59 LEU N . 18431 1 662 . 1 1 60 60 ASP H H 1 7.849 0.018 . . . . . A 60 ASP H . 18431 1 663 . 1 1 60 60 ASP HA H 1 4.273 0.016 . . . . . A 60 ASP HA . 18431 1 664 . 1 1 60 60 ASP HB2 H 1 2.717 0.014 . . . . . A 60 ASP HB2 . 18431 1 665 . 1 1 60 60 ASP HB3 H 1 2.717 0.014 . . . . . A 60 ASP HB3 . 18431 1 666 . 1 1 60 60 ASP CA C 13 57.695 0.188 . . . . . A 60 ASP CA . 18431 1 667 . 1 1 60 60 ASP CB C 13 42.074 0.067 . . . . . A 60 ASP CB . 18431 1 668 . 1 1 60 60 ASP N N 15 117.630 0.039 . . . . . A 60 ASP N . 18431 1 669 . 1 1 61 61 LEU H H 1 7.484 0.014 . . . . . A 61 LEU H . 18431 1 670 . 1 1 61 61 LEU HA H 1 3.924 0.019 . . . . . A 61 LEU HA . 18431 1 671 . 1 1 61 61 LEU HB2 H 1 0.962 0.007 . . . . . A 61 LEU HB2 . 18431 1 672 . 1 1 61 61 LEU HB3 H 1 1.628 0.013 . . . . . A 61 LEU HB3 . 18431 1 673 . 1 1 61 61 LEU HG H 1 1.740 0.016 . . . . . A 61 LEU HG . 18431 1 674 . 1 1 61 61 LEU HD11 H 1 0.571 0.019 . . . . . A 61 LEU HD11 . 18431 1 675 . 1 1 61 61 LEU HD12 H 1 0.571 0.019 . . . . . A 61 LEU HD12 . 18431 1 676 . 1 1 61 61 LEU HD13 H 1 0.571 0.019 . . . . . A 61 LEU HD13 . 18431 1 677 . 1 1 61 61 LEU HD21 H 1 0.714 0.017 . . . . . A 61 LEU HD21 . 18431 1 678 . 1 1 61 61 LEU HD22 H 1 0.714 0.017 . . . . . A 61 LEU HD22 . 18431 1 679 . 1 1 61 61 LEU HD23 H 1 0.714 0.017 . . . . . A 61 LEU HD23 . 18431 1 680 . 1 1 61 61 LEU CA C 13 57.886 0.099 . . . . . A 61 LEU CA . 18431 1 681 . 1 1 61 61 LEU CB C 13 41.825 0.080 . . . . . A 61 LEU CB . 18431 1 682 . 1 1 61 61 LEU CG C 13 26.103 0.121 . . . . . A 61 LEU CG . 18431 1 683 . 1 1 61 61 LEU CD1 C 13 25.297 0.177 . . . . . A 61 LEU CD1 . 18431 1 684 . 1 1 61 61 LEU CD2 C 13 22.454 0.093 . . . . . A 61 LEU CD2 . 18431 1 685 . 1 1 61 61 LEU N N 15 116.500 0.000 . . . . . A 61 LEU N . 18431 1 686 . 1 1 62 62 VAL H H 1 8.682 0.008 . . . . . A 62 VAL H . 18431 1 687 . 1 1 62 62 VAL HA H 1 3.963 0.013 . . . . . A 62 VAL HA . 18431 1 688 . 1 1 62 62 VAL HB H 1 2.479 0.015 . . . . . A 62 VAL HB . 18431 1 689 . 1 1 62 62 VAL HG11 H 1 1.245 0.016 . . . . . A 62 VAL HG11 . 18431 1 690 . 1 1 62 62 VAL HG12 H 1 1.245 0.016 . . . . . A 62 VAL HG12 . 18431 1 691 . 1 1 62 62 VAL HG13 H 1 1.245 0.016 . . . . . A 62 VAL HG13 . 18431 1 692 . 1 1 62 62 VAL HG21 H 1 1.326 0.014 . . . . . A 62 VAL HG21 . 18431 1 693 . 1 1 62 62 VAL HG22 H 1 1.326 0.014 . . . . . A 62 VAL HG22 . 18431 1 694 . 1 1 62 62 VAL HG23 H 1 1.326 0.014 . . . . . A 62 VAL HG23 . 18431 1 695 . 1 1 62 62 VAL CA C 13 66.843 0.107 . . . . . A 62 VAL CA . 18431 1 696 . 1 1 62 62 VAL CB C 13 31.954 0.069 . . . . . A 62 VAL CB . 18431 1 697 . 1 1 62 62 VAL CG1 C 13 21.118 0.148 . . . . . A 62 VAL CG1 . 18431 1 698 . 1 1 62 62 VAL CG2 C 13 24.090 0.098 . . . . . A 62 VAL CG2 . 18431 1 699 . 1 1 62 62 VAL N N 15 120.681 0.005 . . . . . A 62 VAL N . 18431 1 700 . 1 1 63 63 ILE H H 1 8.824 0.016 . . . . . A 63 ILE H . 18431 1 701 . 1 1 63 63 ILE HA H 1 3.995 0.017 . . . . . A 63 ILE HA . 18431 1 702 . 1 1 63 63 ILE HB H 1 2.323 0.013 . . . . . A 63 ILE HB . 18431 1 703 . 1 1 63 63 ILE HG12 H 1 1.538 0.007 . . . . . A 63 ILE HG12 . 18431 1 704 . 1 1 63 63 ILE HG13 H 1 1.647 0.014 . . . . . A 63 ILE HG13 . 18431 1 705 . 1 1 63 63 ILE HG21 H 1 1.068 0.018 . . . . . A 63 ILE HG21 . 18431 1 706 . 1 1 63 63 ILE HG22 H 1 1.068 0.018 . . . . . A 63 ILE HG22 . 18431 1 707 . 1 1 63 63 ILE HG23 H 1 1.068 0.018 . . . . . A 63 ILE HG23 . 18431 1 708 . 1 1 63 63 ILE HD11 H 1 0.830 0.012 . . . . . A 63 ILE HD11 . 18431 1 709 . 1 1 63 63 ILE HD12 H 1 0.830 0.012 . . . . . A 63 ILE HD12 . 18431 1 710 . 1 1 63 63 ILE HD13 H 1 0.830 0.012 . . . . . A 63 ILE HD13 . 18431 1 711 . 1 1 63 63 ILE CA C 13 63.777 0.079 . . . . . A 63 ILE CA . 18431 1 712 . 1 1 63 63 ILE CB C 13 35.707 0.125 . . . . . A 63 ILE CB . 18431 1 713 . 1 1 63 63 ILE CG1 C 13 27.882 0.014 . . . . . A 63 ILE CG1 . 18431 1 714 . 1 1 63 63 ILE CG2 C 13 17.635 0.088 . . . . . A 63 ILE CG2 . 18431 1 715 . 1 1 63 63 ILE CD1 C 13 10.375 0.089 . . . . . A 63 ILE CD1 . 18431 1 716 . 1 1 63 63 ILE N N 15 122.448 0.070 . . . . . A 63 ILE N . 18431 1 717 . 1 1 64 64 LYS H H 1 8.368 0.006 . . . . . A 64 LYS H . 18431 1 718 . 1 1 64 64 LYS HA H 1 3.889 0.009 . . . . . A 64 LYS HA . 18431 1 719 . 1 1 64 64 LYS HB2 H 1 1.876 0.011 . . . . . A 64 LYS HB2 . 18431 1 720 . 1 1 64 64 LYS HB3 H 1 1.960 0.011 . . . . . A 64 LYS HB3 . 18431 1 721 . 1 1 64 64 LYS HG2 H 1 1.463 0.011 . . . . . A 64 LYS HG2 . 18431 1 722 . 1 1 64 64 LYS HG3 H 1 1.731 0.012 . . . . . A 64 LYS HG3 . 18431 1 723 . 1 1 64 64 LYS HD2 H 1 1.642 0.014 . . . . . A 64 LYS HD2 . 18431 1 724 . 1 1 64 64 LYS HD3 H 1 1.642 0.014 . . . . . A 64 LYS HD3 . 18431 1 725 . 1 1 64 64 LYS HE2 H 1 2.985 0.019 . . . . . A 64 LYS HE2 . 18431 1 726 . 1 1 64 64 LYS HE3 H 1 2.985 0.019 . . . . . A 64 LYS HE3 . 18431 1 727 . 1 1 64 64 LYS CA C 13 60.416 0.177 . . . . . A 64 LYS CA . 18431 1 728 . 1 1 64 64 LYS CB C 13 32.563 0.084 . . . . . A 64 LYS CB . 18431 1 729 . 1 1 64 64 LYS CG C 13 27.122 0.159 . . . . . A 64 LYS CG . 18431 1 730 . 1 1 64 64 LYS CD C 13 28.833 0.123 . . . . . A 64 LYS CD . 18431 1 731 . 1 1 64 64 LYS CE C 13 41.618 0.267 . . . . . A 64 LYS CE . 18431 1 732 . 1 1 64 64 LYS N N 15 118.898 0.046 . . . . . A 64 LYS N . 18431 1 733 . 1 1 65 65 TYR H H 1 8.200 0.013 . . . . . A 65 TYR H . 18431 1 734 . 1 1 65 65 TYR HA H 1 4.330 0.014 . . . . . A 65 TYR HA . 18431 1 735 . 1 1 65 65 TYR HB2 H 1 3.108 0.014 . . . . . A 65 TYR HB2 . 18431 1 736 . 1 1 65 65 TYR HB3 H 1 3.466 0.018 . . . . . A 65 TYR HB3 . 18431 1 737 . 1 1 65 65 TYR HD1 H 1 7.042 0.014 . . . . . A 65 TYR HD1 . 18431 1 738 . 1 1 65 65 TYR HD2 H 1 7.042 0.014 . . . . . A 65 TYR HD2 . 18431 1 739 . 1 1 65 65 TYR HE1 H 1 6.843 0.016 . . . . . A 65 TYR HE1 . 18431 1 740 . 1 1 65 65 TYR HE2 H 1 6.843 0.016 . . . . . A 65 TYR HE2 . 18431 1 741 . 1 1 65 65 TYR CA C 13 61.779 0.112 . . . . . A 65 TYR CA . 18431 1 742 . 1 1 65 65 TYR CB C 13 38.898 0.079 . . . . . A 65 TYR CB . 18431 1 743 . 1 1 65 65 TYR CD2 C 13 131.492 0.097 . . . . . A 65 TYR CD2 . 18431 1 744 . 1 1 65 65 TYR CE2 C 13 118.796 0.133 . . . . . A 65 TYR CE2 . 18431 1 745 . 1 1 65 65 TYR N N 15 121.217 0.053 . . . . . A 65 TYR N . 18431 1 746 . 1 1 66 66 MET H H 1 8.681 0.011 . . . . . A 66 MET H . 18431 1 747 . 1 1 66 66 MET HA H 1 3.682 0.014 . . . . . A 66 MET HA . 18431 1 748 . 1 1 66 66 MET HB2 H 1 2.680 0.013 . . . . . A 66 MET HB2 . 18431 1 749 . 1 1 66 66 MET HB3 H 1 2.355 0.012 . . . . . A 66 MET HB3 . 18431 1 750 . 1 1 66 66 MET HG2 H 1 2.371 0.016 . . . . . A 66 MET HG2 . 18431 1 751 . 1 1 66 66 MET HG3 H 1 3.258 0.015 . . . . . A 66 MET HG3 . 18431 1 752 . 1 1 66 66 MET HE1 H 1 2.120 0.014 . . . . . A 66 MET HE1 . 18431 1 753 . 1 1 66 66 MET HE2 H 1 2.120 0.014 . . . . . A 66 MET HE2 . 18431 1 754 . 1 1 66 66 MET HE3 H 1 2.120 0.014 . . . . . A 66 MET HE3 . 18431 1 755 . 1 1 66 66 MET CA C 13 60.444 0.209 . . . . . A 66 MET CA . 18431 1 756 . 1 1 66 66 MET CB C 13 33.627 0.135 . . . . . A 66 MET CB . 18431 1 757 . 1 1 66 66 MET CG C 13 33.627 0.124 . . . . . A 66 MET CG . 18431 1 758 . 1 1 66 66 MET CE C 13 16.805 0.129 . . . . . A 66 MET CE . 18431 1 759 . 1 1 66 66 MET N N 15 116.741 0.080 . . . . . A 66 MET N . 18431 1 760 . 1 1 67 67 LYS H H 1 8.563 0.007 . . . . . A 67 LYS H . 18431 1 761 . 1 1 67 67 LYS HA H 1 2.637 0.012 . . . . . A 67 LYS HA . 18431 1 762 . 1 1 67 67 LYS HB2 H 1 1.643 0.015 . . . . . A 67 LYS HB2 . 18431 1 763 . 1 1 67 67 LYS HB3 H 1 1.643 0.015 . . . . . A 67 LYS HB3 . 18431 1 764 . 1 1 67 67 LYS HG2 H 1 0.583 0.011 . . . . . A 67 LYS HG2 . 18431 1 765 . 1 1 67 67 LYS HG3 H 1 0.934 0.013 . . . . . A 67 LYS HG3 . 18431 1 766 . 1 1 67 67 LYS HD2 H 1 1.497 0.011 . . . . . A 67 LYS HD2 . 18431 1 767 . 1 1 67 67 LYS HD3 H 1 1.753 0.016 . . . . . A 67 LYS HD3 . 18431 1 768 . 1 1 67 67 LYS HE2 H 1 2.887 0.012 . . . . . A 67 LYS HE2 . 18431 1 769 . 1 1 67 67 LYS HE3 H 1 2.887 0.012 . . . . . A 67 LYS HE3 . 18431 1 770 . 1 1 67 67 LYS CA C 13 59.949 0.196 . . . . . A 67 LYS CA . 18431 1 771 . 1 1 67 67 LYS CB C 13 32.596 0.175 . . . . . A 67 LYS CB . 18431 1 772 . 1 1 67 67 LYS CG C 13 24.452 0.105 . . . . . A 67 LYS CG . 18431 1 773 . 1 1 67 67 LYS CD C 13 29.355 0.101 . . . . . A 67 LYS CD . 18431 1 774 . 1 1 67 67 LYS CE C 13 41.817 0.171 . . . . . A 67 LYS CE . 18431 1 775 . 1 1 67 67 LYS N N 15 119.826 0.039 . . . . . A 67 LYS N . 18431 1 776 . 1 1 68 68 ARG H H 1 7.117 0.011 . . . . . A 68 ARG H . 18431 1 777 . 1 1 68 68 ARG HA H 1 3.859 0.012 . . . . . A 68 ARG HA . 18431 1 778 . 1 1 68 68 ARG HB2 H 1 1.804 0.017 . . . . . A 68 ARG HB2 . 18431 1 779 . 1 1 68 68 ARG HB3 H 1 1.804 0.017 . . . . . A 68 ARG HB3 . 18431 1 780 . 1 1 68 68 ARG HG2 H 1 1.613 0.013 . . . . . A 68 ARG HG2 . 18431 1 781 . 1 1 68 68 ARG HG3 H 1 1.459 0.015 . . . . . A 68 ARG HG3 . 18431 1 782 . 1 1 68 68 ARG HD2 H 1 3.138 0.012 . . . . . A 68 ARG HD2 . 18431 1 783 . 1 1 68 68 ARG HD3 H 1 3.138 0.012 . . . . . A 68 ARG HD3 . 18431 1 784 . 1 1 68 68 ARG CA C 13 58.254 0.126 . . . . . A 68 ARG CA . 18431 1 785 . 1 1 68 68 ARG CB C 13 29.605 0.196 . . . . . A 68 ARG CB . 18431 1 786 . 1 1 68 68 ARG CG C 13 26.832 0.298 . . . . . A 68 ARG CG . 18431 1 787 . 1 1 68 68 ARG CD C 13 43.208 0.159 . . . . . A 68 ARG CD . 18431 1 788 . 1 1 68 68 ARG N N 15 116.343 0.078 . . . . . A 68 ARG N . 18431 1 789 . 1 1 69 69 LEU H H 1 7.360 0.014 . . . . . A 69 LEU H . 18431 1 790 . 1 1 69 69 LEU HA H 1 3.847 0.009 . . . . . A 69 LEU HA . 18431 1 791 . 1 1 69 69 LEU HB2 H 1 1.061 0.015 . . . . . A 69 LEU HB2 . 18431 1 792 . 1 1 69 69 LEU HB3 H 1 1.360 0.017 . . . . . A 69 LEU HB3 . 18431 1 793 . 1 1 69 69 LEU HG H 1 1.162 0.015 . . . . . A 69 LEU HG . 18431 1 794 . 1 1 69 69 LEU HD11 H 1 0.455 0.019 . . . . . A 69 LEU HD11 . 18431 1 795 . 1 1 69 69 LEU HD12 H 1 0.455 0.019 . . . . . A 69 LEU HD12 . 18431 1 796 . 1 1 69 69 LEU HD13 H 1 0.455 0.019 . . . . . A 69 LEU HD13 . 18431 1 797 . 1 1 69 69 LEU HD21 H 1 0.539 0.012 . . . . . A 69 LEU HD21 . 18431 1 798 . 1 1 69 69 LEU HD22 H 1 0.539 0.012 . . . . . A 69 LEU HD22 . 18431 1 799 . 1 1 69 69 LEU HD23 H 1 0.539 0.012 . . . . . A 69 LEU HD23 . 18431 1 800 . 1 1 69 69 LEU CA C 13 56.861 0.081 . . . . . A 69 LEU CA . 18431 1 801 . 1 1 69 69 LEU CB C 13 42.950 0.096 . . . . . A 69 LEU CB . 18431 1 802 . 1 1 69 69 LEU CG C 13 26.742 0.119 . . . . . A 69 LEU CG . 18431 1 803 . 1 1 69 69 LEU CD1 C 13 25.603 0.069 . . . . . A 69 LEU CD1 . 18431 1 804 . 1 1 69 69 LEU CD2 C 13 22.574 0.082 . . . . . A 69 LEU CD2 . 18431 1 805 . 1 1 69 69 LEU N N 15 116.573 0.080 . . . . . A 69 LEU N . 18431 1 806 . 1 1 70 70 MET H H 1 8.769 0.012 . . . . . A 70 MET H . 18431 1 807 . 1 1 70 70 MET HA H 1 3.823 0.016 . . . . . A 70 MET HA . 18431 1 808 . 1 1 70 70 MET HB2 H 1 2.380 0.015 . . . . . A 70 MET HB2 . 18431 1 809 . 1 1 70 70 MET HB3 H 1 1.967 0.012 . . . . . A 70 MET HB3 . 18431 1 810 . 1 1 70 70 MET HG2 H 1 2.363 0.013 . . . . . A 70 MET HG2 . 18431 1 811 . 1 1 70 70 MET HG3 H 1 2.812 0.019 . . . . . A 70 MET HG3 . 18431 1 812 . 1 1 70 70 MET HE1 H 1 2.251 0.012 . . . . . A 70 MET HE1 . 18431 1 813 . 1 1 70 70 MET HE2 H 1 2.251 0.012 . . . . . A 70 MET HE2 . 18431 1 814 . 1 1 70 70 MET HE3 H 1 2.251 0.012 . . . . . A 70 MET HE3 . 18431 1 815 . 1 1 70 70 MET CA C 13 59.195 0.074 . . . . . A 70 MET CA . 18431 1 816 . 1 1 70 70 MET CB C 13 32.315 0.079 . . . . . A 70 MET CB . 18431 1 817 . 1 1 70 70 MET CG C 13 35.277 0.235 . . . . . A 70 MET CG . 18431 1 818 . 1 1 70 70 MET CE C 13 18.966 0.094 . . . . . A 70 MET CE . 18431 1 819 . 1 1 70 70 MET N N 15 115.874 0.039 . . . . . A 70 MET N . 18431 1 820 . 1 1 71 71 GLN H H 1 7.522 0.013 . . . . . A 71 GLN H . 18431 1 821 . 1 1 71 71 GLN HA H 1 4.416 0.014 . . . . . A 71 GLN HA . 18431 1 822 . 1 1 71 71 GLN HB2 H 1 1.970 0.016 . . . . . A 71 GLN HB2 . 18431 1 823 . 1 1 71 71 GLN HB3 H 1 1.970 0.016 . . . . . A 71 GLN HB3 . 18431 1 824 . 1 1 71 71 GLN HG2 H 1 2.262 0.013 . . . . . A 71 GLN HG2 . 18431 1 825 . 1 1 71 71 GLN HG3 H 1 2.262 0.013 . . . . . A 71 GLN HG3 . 18431 1 826 . 1 1 71 71 GLN HE21 H 1 6.926 0.010 . . . . . A 71 GLN HE21 . 18431 1 827 . 1 1 71 71 GLN HE22 H 1 7.733 0.003 . . . . . A 71 GLN HE22 . 18431 1 828 . 1 1 71 71 GLN CA C 13 56.527 0.193 . . . . . A 71 GLN CA . 18431 1 829 . 1 1 71 71 GLN CB C 13 27.446 0.245 . . . . . A 71 GLN CB . 18431 1 830 . 1 1 71 71 GLN CG C 13 34.053 0.151 . . . . . A 71 GLN CG . 18431 1 831 . 1 1 71 71 GLN N N 15 114.286 0.049 . . . . . A 71 GLN N . 18431 1 832 . 1 1 71 71 GLN NE2 N 15 112.886 0.005 . . . . . A 71 GLN NE2 . 18431 1 833 . 1 1 72 72 GLN H H 1 7.279 0.006 . . . . . A 72 GLN H . 18431 1 834 . 1 1 72 72 GLN HA H 1 4.198 0.012 . . . . . A 72 GLN HA . 18431 1 835 . 1 1 72 72 GLN HB2 H 1 2.083 0.010 . . . . . A 72 GLN HB2 . 18431 1 836 . 1 1 72 72 GLN HB3 H 1 2.083 0.010 . . . . . A 72 GLN HB3 . 18431 1 837 . 1 1 72 72 GLN HG2 H 1 2.382 0.015 . . . . . A 72 GLN HG2 . 18431 1 838 . 1 1 72 72 GLN HG3 H 1 2.382 0.015 . . . . . A 72 GLN HG3 . 18431 1 839 . 1 1 72 72 GLN CA C 13 56.549 0.069 . . . . . A 72 GLN CA . 18431 1 840 . 1 1 72 72 GLN CB C 13 28.824 0.084 . . . . . A 72 GLN CB . 18431 1 841 . 1 1 72 72 GLN CG C 13 33.784 0.119 . . . . . A 72 GLN CG . 18431 1 842 . 1 1 72 72 GLN N N 15 117.645 0.033 . . . . . A 72 GLN N . 18431 1 843 . 1 1 73 73 SER H H 1 7.588 0.007 . . . . . A 73 SER H . 18431 1 844 . 1 1 73 73 SER HA H 1 4.504 0.016 . . . . . A 73 SER HA . 18431 1 845 . 1 1 73 73 SER HB2 H 1 3.863 0.013 . . . . . A 73 SER HB2 . 18431 1 846 . 1 1 73 73 SER HB3 H 1 3.863 0.013 . . . . . A 73 SER HB3 . 18431 1 847 . 1 1 73 73 SER CA C 13 57.600 0.137 . . . . . A 73 SER CA . 18431 1 848 . 1 1 73 73 SER CB C 13 63.542 0.118 . . . . . A 73 SER CB . 18431 1 849 . 1 1 73 73 SER N N 15 113.600 0.015 . . . . . A 73 SER N . 18431 1 850 . 1 1 74 74 VAL H H 1 8.300 0.007 . . . . . A 74 VAL H . 18431 1 851 . 1 1 74 74 VAL HA H 1 4.136 0.012 . . . . . A 74 VAL HA . 18431 1 852 . 1 1 74 74 VAL HB H 1 2.229 0.011 . . . . . A 74 VAL HB . 18431 1 853 . 1 1 74 74 VAL HG11 H 1 0.974 0.020 . . . . . A 74 VAL HG11 . 18431 1 854 . 1 1 74 74 VAL HG12 H 1 0.974 0.020 . . . . . A 74 VAL HG12 . 18431 1 855 . 1 1 74 74 VAL HG13 H 1 0.974 0.020 . . . . . A 74 VAL HG13 . 18431 1 856 . 1 1 74 74 VAL HG21 H 1 1.003 0.020 . . . . . A 74 VAL HG21 . 18431 1 857 . 1 1 74 74 VAL HG22 H 1 1.003 0.020 . . . . . A 74 VAL HG22 . 18431 1 858 . 1 1 74 74 VAL HG23 H 1 1.003 0.020 . . . . . A 74 VAL HG23 . 18431 1 859 . 1 1 74 74 VAL CA C 13 62.985 0.134 . . . . . A 74 VAL CA . 18431 1 860 . 1 1 74 74 VAL CB C 13 31.797 0.212 . . . . . A 74 VAL CB . 18431 1 861 . 1 1 74 74 VAL CG1 C 13 19.826 0.051 . . . . . A 74 VAL CG1 . 18431 1 862 . 1 1 74 74 VAL CG2 C 13 20.964 0.076 . . . . . A 74 VAL CG2 . 18431 1 863 . 1 1 74 74 VAL N N 15 121.652 0.029 . . . . . A 74 VAL N . 18431 1 864 . 1 1 75 75 GLU H H 1 8.486 0.013 . . . . . A 75 GLU H . 18431 1 865 . 1 1 75 75 GLU HA H 1 4.415 0.012 . . . . . A 75 GLU HA . 18431 1 866 . 1 1 75 75 GLU HB2 H 1 2.184 0.017 . . . . . A 75 GLU HB2 . 18431 1 867 . 1 1 75 75 GLU HB3 H 1 2.069 0.012 . . . . . A 75 GLU HB3 . 18431 1 868 . 1 1 75 75 GLU HG2 H 1 2.335 0.016 . . . . . A 75 GLU HG2 . 18431 1 869 . 1 1 75 75 GLU HG3 H 1 2.335 0.016 . . . . . A 75 GLU HG3 . 18431 1 870 . 1 1 75 75 GLU CA C 13 56.061 0.154 . . . . . A 75 GLU CA . 18431 1 871 . 1 1 75 75 GLU CB C 13 29.153 0.182 . . . . . A 75 GLU CB . 18431 1 872 . 1 1 75 75 GLU CG C 13 35.823 0.029 . . . . . A 75 GLU CG . 18431 1 873 . 1 1 75 75 GLU N N 15 120.481 0.010 . . . . . A 75 GLU N . 18431 1 874 . 1 1 76 76 SER H H 1 8.142 0.000 . . . . . A 76 SER H . 18431 1 875 . 1 1 76 76 SER HA H 1 4.498 0.011 . . . . . A 76 SER HA . 18431 1 876 . 1 1 76 76 SER HB2 H 1 4.000 0.001 . . . . . A 76 SER HB2 . 18431 1 877 . 1 1 76 76 SER HB3 H 1 4.159 0.005 . . . . . A 76 SER HB3 . 18431 1 878 . 1 1 76 76 SER CA C 13 59.426 0.175 . . . . . A 76 SER CA . 18431 1 879 . 1 1 76 76 SER CB C 13 64.071 0.021 . . . . . A 76 SER CB . 18431 1 880 . 1 1 77 77 VAL H H 1 8.750 0.004 . . . . . A 77 VAL H . 18431 1 881 . 1 1 77 77 VAL HA H 1 4.036 0.019 . . . . . A 77 VAL HA . 18431 1 882 . 1 1 77 77 VAL HB H 1 2.028 0.012 . . . . . A 77 VAL HB . 18431 1 883 . 1 1 77 77 VAL HG11 H 1 0.760 0.022 . . . . . A 77 VAL HG11 . 18431 1 884 . 1 1 77 77 VAL HG12 H 1 0.760 0.022 . . . . . A 77 VAL HG12 . 18431 1 885 . 1 1 77 77 VAL HG13 H 1 0.760 0.022 . . . . . A 77 VAL HG13 . 18431 1 886 . 1 1 77 77 VAL HG21 H 1 0.837 0.012 . . . . . A 77 VAL HG21 . 18431 1 887 . 1 1 77 77 VAL HG22 H 1 0.837 0.012 . . . . . A 77 VAL HG22 . 18431 1 888 . 1 1 77 77 VAL HG23 H 1 0.837 0.012 . . . . . A 77 VAL HG23 . 18431 1 889 . 1 1 77 77 VAL CA C 13 64.600 0.121 . . . . . A 77 VAL CA . 18431 1 890 . 1 1 77 77 VAL CB C 13 30.843 0.165 . . . . . A 77 VAL CB . 18431 1 891 . 1 1 77 77 VAL CG1 C 13 20.766 0.143 . . . . . A 77 VAL CG1 . 18431 1 892 . 1 1 77 77 VAL CG2 C 13 20.943 0.227 . . . . . A 77 VAL CG2 . 18431 1 893 . 1 1 77 77 VAL N N 15 122.712 0.029 . . . . . A 77 VAL N . 18431 1 894 . 1 1 78 78 TRP H H 1 7.837 0.011 . . . . . A 78 TRP H . 18431 1 895 . 1 1 78 78 TRP HA H 1 4.507 0.019 . . . . . A 78 TRP HA . 18431 1 896 . 1 1 78 78 TRP HB2 H 1 3.225 0.018 . . . . . A 78 TRP HB2 . 18431 1 897 . 1 1 78 78 TRP HB3 H 1 3.332 0.017 . . . . . A 78 TRP HB3 . 18431 1 898 . 1 1 78 78 TRP HD1 H 1 7.312 0.016 . . . . . A 78 TRP HD1 . 18431 1 899 . 1 1 78 78 TRP HE1 H 1 9.990 0.002 . . . . . A 78 TRP HE1 . 18431 1 900 . 1 1 78 78 TRP HE3 H 1 7.484 0.010 . . . . . A 78 TRP HE3 . 18431 1 901 . 1 1 78 78 TRP HZ2 H 1 7.049 0.013 . . . . . A 78 TRP HZ2 . 18431 1 902 . 1 1 78 78 TRP HZ3 H 1 5.909 0.008 . . . . . A 78 TRP HZ3 . 18431 1 903 . 1 1 78 78 TRP HH2 H 1 5.170 0.008 . . . . . A 78 TRP HH2 . 18431 1 904 . 1 1 78 78 TRP CA C 13 59.753 0.117 . . . . . A 78 TRP CA . 18431 1 905 . 1 1 78 78 TRP CB C 13 29.332 0.091 . . . . . A 78 TRP CB . 18431 1 906 . 1 1 78 78 TRP CD1 C 13 126.022 0.089 . . . . . A 78 TRP CD1 . 18431 1 907 . 1 1 78 78 TRP CE3 C 13 118.392 0.067 . . . . . A 78 TRP CE3 . 18431 1 908 . 1 1 78 78 TRP CZ2 C 13 115.004 0.019 . . . . . A 78 TRP CZ2 . 18431 1 909 . 1 1 78 78 TRP CH2 C 13 124.125 0.000 . . . . . A 78 TRP CH2 . 18431 1 910 . 1 1 78 78 TRP N N 15 121.247 0.050 . . . . . A 78 TRP N . 18431 1 911 . 1 1 78 78 TRP NE1 N 15 129.193 0.016 . . . . . A 78 TRP NE1 . 18431 1 912 . 1 1 79 79 ASN H H 1 7.856 0.009 . . . . . A 79 ASN H . 18431 1 913 . 1 1 79 79 ASN HA H 1 4.382 0.014 . . . . . A 79 ASN HA . 18431 1 914 . 1 1 79 79 ASN HB2 H 1 3.018 0.018 . . . . . A 79 ASN HB2 . 18431 1 915 . 1 1 79 79 ASN HB3 H 1 3.018 0.018 . . . . . A 79 ASN HB3 . 18431 1 916 . 1 1 79 79 ASN HD21 H 1 7.640 0.009 . . . . . A 79 ASN HD21 . 18431 1 917 . 1 1 79 79 ASN HD22 H 1 7.182 0.015 . . . . . A 79 ASN HD22 . 18431 1 918 . 1 1 79 79 ASN CA C 13 57.406 0.159 . . . . . A 79 ASN CA . 18431 1 919 . 1 1 79 79 ASN CB C 13 38.813 0.125 . . . . . A 79 ASN CB . 18431 1 920 . 1 1 79 79 ASN N N 15 119.032 0.084 . . . . . A 79 ASN N . 18431 1 921 . 1 1 79 79 ASN ND2 N 15 113.439 0.054 . . . . . A 79 ASN ND2 . 18431 1 922 . 1 1 80 80 MET H H 1 7.765 0.009 . . . . . A 80 MET H . 18431 1 923 . 1 1 80 80 MET HA H 1 4.383 0.013 . . . . . A 80 MET HA . 18431 1 924 . 1 1 80 80 MET HB2 H 1 2.186 0.017 . . . . . A 80 MET HB2 . 18431 1 925 . 1 1 80 80 MET HB3 H 1 2.728 0.003 . . . . . A 80 MET HB3 . 18431 1 926 . 1 1 80 80 MET HG2 H 1 2.667 0.010 . . . . . A 80 MET HG2 . 18431 1 927 . 1 1 80 80 MET HG3 H 1 2.762 0.014 . . . . . A 80 MET HG3 . 18431 1 928 . 1 1 80 80 MET CA C 13 58.111 0.079 . . . . . A 80 MET CA . 18431 1 929 . 1 1 80 80 MET CB C 13 32.350 0.119 . . . . . A 80 MET CB . 18431 1 930 . 1 1 80 80 MET CG C 13 32.130 0.107 . . . . . A 80 MET CG . 18431 1 931 . 1 1 80 80 MET N N 15 117.280 0.037 . . . . . A 80 MET N . 18431 1 932 . 1 1 81 81 ALA H H 1 8.019 0.017 . . . . . A 81 ALA H . 18431 1 933 . 1 1 81 81 ALA HA H 1 4.220 0.014 . . . . . A 81 ALA HA . 18431 1 934 . 1 1 81 81 ALA HB1 H 1 1.553 0.018 . . . . . A 81 ALA HB1 . 18431 1 935 . 1 1 81 81 ALA HB2 H 1 1.553 0.018 . . . . . A 81 ALA HB2 . 18431 1 936 . 1 1 81 81 ALA HB3 H 1 1.553 0.018 . . . . . A 81 ALA HB3 . 18431 1 937 . 1 1 81 81 ALA CA C 13 54.997 0.145 . . . . . A 81 ALA CA . 18431 1 938 . 1 1 81 81 ALA CB C 13 17.615 0.065 . . . . . A 81 ALA CB . 18431 1 939 . 1 1 81 81 ALA N N 15 123.582 0.057 . . . . . A 81 ALA N . 18431 1 940 . 1 1 82 82 PHE H H 1 8.455 0.013 . . . . . A 82 PHE H . 18431 1 941 . 1 1 82 82 PHE HA H 1 4.201 0.017 . . . . . A 82 PHE HA . 18431 1 942 . 1 1 82 82 PHE HB2 H 1 3.552 0.017 . . . . . A 82 PHE HB2 . 18431 1 943 . 1 1 82 82 PHE HB3 H 1 3.187 0.018 . . . . . A 82 PHE HB3 . 18431 1 944 . 1 1 82 82 PHE HD1 H 1 7.442 0.013 . . . . . A 82 PHE HD1 . 18431 1 945 . 1 1 82 82 PHE HD2 H 1 7.442 0.013 . . . . . A 82 PHE HD2 . 18431 1 946 . 1 1 82 82 PHE HE1 H 1 7.422 0.016 . . . . . A 82 PHE HE1 . 18431 1 947 . 1 1 82 82 PHE HE2 H 1 7.422 0.016 . . . . . A 82 PHE HE2 . 18431 1 948 . 1 1 82 82 PHE HZ H 1 7.098 0.016 . . . . . A 82 PHE HZ . 18431 1 949 . 1 1 82 82 PHE CA C 13 62.679 0.099 . . . . . A 82 PHE CA . 18431 1 950 . 1 1 82 82 PHE CB C 13 38.078 0.088 . . . . . A 82 PHE CB . 18431 1 951 . 1 1 82 82 PHE CD2 C 13 131.230 0.185 . . . . . A 82 PHE CD2 . 18431 1 952 . 1 1 82 82 PHE CE2 C 13 130.642 0.174 . . . . . A 82 PHE CE2 . 18431 1 953 . 1 1 82 82 PHE CZ C 13 128.835 0.101 . . . . . A 82 PHE CZ . 18431 1 954 . 1 1 82 82 PHE N N 15 117.853 0.077 . . . . . A 82 PHE N . 18431 1 955 . 1 1 83 83 ASP H H 1 7.615 0.019 . . . . . A 83 ASP H . 18431 1 956 . 1 1 83 83 ASP HA H 1 4.250 0.012 . . . . . A 83 ASP HA . 18431 1 957 . 1 1 83 83 ASP HB2 H 1 2.756 0.010 . . . . . A 83 ASP HB2 . 18431 1 958 . 1 1 83 83 ASP HB3 H 1 2.756 0.010 . . . . . A 83 ASP HB3 . 18431 1 959 . 1 1 83 83 ASP CA C 13 57.602 0.114 . . . . . A 83 ASP CA . 18431 1 960 . 1 1 83 83 ASP CB C 13 40.117 0.008 . . . . . A 83 ASP CB . 18431 1 961 . 1 1 83 83 ASP N N 15 118.244 0.038 . . . . . A 83 ASP N . 18431 1 962 . 1 1 84 84 PHE H H 1 7.849 0.008 . . . . . A 84 PHE H . 18431 1 963 . 1 1 84 84 PHE HA H 1 4.319 0.016 . . . . . A 84 PHE HA . 18431 1 964 . 1 1 84 84 PHE HB2 H 1 3.266 0.011 . . . . . A 84 PHE HB2 . 18431 1 965 . 1 1 84 84 PHE HB3 H 1 3.381 0.016 . . . . . A 84 PHE HB3 . 18431 1 966 . 1 1 84 84 PHE HD1 H 1 7.170 0.018 . . . . . A 84 PHE HD1 . 18431 1 967 . 1 1 84 84 PHE HD2 H 1 7.170 0.018 . . . . . A 84 PHE HD2 . 18431 1 968 . 1 1 84 84 PHE HE1 H 1 7.261 0.019 . . . . . A 84 PHE HE1 . 18431 1 969 . 1 1 84 84 PHE HE2 H 1 7.261 0.019 . . . . . A 84 PHE HE2 . 18431 1 970 . 1 1 84 84 PHE HZ H 1 7.338 0.003 . . . . . A 84 PHE HZ . 18431 1 971 . 1 1 84 84 PHE CA C 13 61.110 0.169 . . . . . A 84 PHE CA . 18431 1 972 . 1 1 84 84 PHE CB C 13 39.225 0.096 . . . . . A 84 PHE CB . 18431 1 973 . 1 1 84 84 PHE CD2 C 13 132.080 0.111 . . . . . A 84 PHE CD2 . 18431 1 974 . 1 1 84 84 PHE CE2 C 13 130.800 0.071 . . . . . A 84 PHE CE2 . 18431 1 975 . 1 1 84 84 PHE CZ C 13 129.722 0.000 . . . . . A 84 PHE CZ . 18431 1 976 . 1 1 84 84 PHE N N 15 120.090 0.083 . . . . . A 84 PHE N . 18431 1 977 . 1 1 85 85 ILE H H 1 8.687 0.012 . . . . . A 85 ILE H . 18431 1 978 . 1 1 85 85 ILE HA H 1 3.372 0.015 . . . . . A 85 ILE HA . 18431 1 979 . 1 1 85 85 ILE HB H 1 1.950 0.013 . . . . . A 85 ILE HB . 18431 1 980 . 1 1 85 85 ILE HG12 H 1 2.185 0.014 . . . . . A 85 ILE HG12 . 18431 1 981 . 1 1 85 85 ILE HG13 H 1 1.047 0.018 . . . . . A 85 ILE HG13 . 18431 1 982 . 1 1 85 85 ILE HG21 H 1 0.831 0.011 . . . . . A 85 ILE HG21 . 18431 1 983 . 1 1 85 85 ILE HG22 H 1 0.831 0.011 . . . . . A 85 ILE HG22 . 18431 1 984 . 1 1 85 85 ILE HG23 H 1 0.831 0.011 . . . . . A 85 ILE HG23 . 18431 1 985 . 1 1 85 85 ILE HD11 H 1 1.191 0.015 . . . . . A 85 ILE HD11 . 18431 1 986 . 1 1 85 85 ILE HD12 H 1 1.191 0.015 . . . . . A 85 ILE HD12 . 18431 1 987 . 1 1 85 85 ILE HD13 H 1 1.191 0.015 . . . . . A 85 ILE HD13 . 18431 1 988 . 1 1 85 85 ILE CA C 13 65.864 0.077 . . . . . A 85 ILE CA . 18431 1 989 . 1 1 85 85 ILE CB C 13 38.422 0.141 . . . . . A 85 ILE CB . 18431 1 990 . 1 1 85 85 ILE CG1 C 13 30.134 0.155 . . . . . A 85 ILE CG1 . 18431 1 991 . 1 1 85 85 ILE CG2 C 13 16.828 0.184 . . . . . A 85 ILE CG2 . 18431 1 992 . 1 1 85 85 ILE CD1 C 13 14.394 0.074 . . . . . A 85 ILE CD1 . 18431 1 993 . 1 1 85 85 ILE N N 15 122.915 0.044 . . . . . A 85 ILE N . 18431 1 994 . 1 1 86 86 LEU H H 1 8.682 0.005 . . . . . A 86 LEU H . 18431 1 995 . 1 1 86 86 LEU HA H 1 3.715 0.016 . . . . . A 86 LEU HA . 18431 1 996 . 1 1 86 86 LEU HB2 H 1 0.954 0.009 . . . . . A 86 LEU HB2 . 18431 1 997 . 1 1 86 86 LEU HB3 H 1 1.564 0.012 . . . . . A 86 LEU HB3 . 18431 1 998 . 1 1 86 86 LEU HG H 1 1.550 0.012 . . . . . A 86 LEU HG . 18431 1 999 . 1 1 86 86 LEU HD11 H 1 0.864 0.020 . . . . . A 86 LEU HD11 . 18431 1 1000 . 1 1 86 86 LEU HD12 H 1 0.864 0.020 . . . . . A 86 LEU HD12 . 18431 1 1001 . 1 1 86 86 LEU HD13 H 1 0.864 0.020 . . . . . A 86 LEU HD13 . 18431 1 1002 . 1 1 86 86 LEU HD21 H 1 0.923 0.019 . . . . . A 86 LEU HD21 . 18431 1 1003 . 1 1 86 86 LEU HD22 H 1 0.923 0.019 . . . . . A 86 LEU HD22 . 18431 1 1004 . 1 1 86 86 LEU HD23 H 1 0.923 0.019 . . . . . A 86 LEU HD23 . 18431 1 1005 . 1 1 86 86 LEU CA C 13 57.875 0.045 . . . . . A 86 LEU CA . 18431 1 1006 . 1 1 86 86 LEU CB C 13 40.602 0.134 . . . . . A 86 LEU CB . 18431 1 1007 . 1 1 86 86 LEU CG C 13 26.561 0.084 . . . . . A 86 LEU CG . 18431 1 1008 . 1 1 86 86 LEU CD1 C 13 23.672 0.196 . . . . . A 86 LEU CD1 . 18431 1 1009 . 1 1 86 86 LEU CD2 C 13 25.411 0.130 . . . . . A 86 LEU CD2 . 18431 1 1010 . 1 1 86 86 LEU N N 15 119.481 0.021 . . . . . A 86 LEU N . 18431 1 1011 . 1 1 87 87 ASP H H 1 8.301 0.012 . . . . . A 87 ASP H . 18431 1 1012 . 1 1 87 87 ASP HA H 1 4.255 0.009 . . . . . A 87 ASP HA . 18431 1 1013 . 1 1 87 87 ASP HB2 H 1 2.723 0.009 . . . . . A 87 ASP HB2 . 18431 1 1014 . 1 1 87 87 ASP HB3 H 1 2.488 0.014 . . . . . A 87 ASP HB3 . 18431 1 1015 . 1 1 87 87 ASP CA C 13 57.604 0.232 . . . . . A 87 ASP CA . 18431 1 1016 . 1 1 87 87 ASP CB C 13 40.580 0.077 . . . . . A 87 ASP CB . 18431 1 1017 . 1 1 87 87 ASP N N 15 118.290 0.039 . . . . . A 87 ASP N . 18431 1 1018 . 1 1 88 88 ASN H H 1 7.421 0.014 . . . . . A 88 ASN H . 18431 1 1019 . 1 1 88 88 ASN HA H 1 4.139 0.014 . . . . . A 88 ASN HA . 18431 1 1020 . 1 1 88 88 ASN HB2 H 1 2.261 0.016 . . . . . A 88 ASN HB2 . 18431 1 1021 . 1 1 88 88 ASN HB3 H 1 2.602 0.012 . . . . . A 88 ASN HB3 . 18431 1 1022 . 1 1 88 88 ASN HD21 H 1 6.695 0.013 . . . . . A 88 ASN HD21 . 18431 1 1023 . 1 1 88 88 ASN HD22 H 1 5.481 0.009 . . . . . A 88 ASN HD22 . 18431 1 1024 . 1 1 88 88 ASN CA C 13 57.067 0.099 . . . . . A 88 ASN CA . 18431 1 1025 . 1 1 88 88 ASN CB C 13 39.734 0.091 . . . . . A 88 ASN CB . 18431 1 1026 . 1 1 88 88 ASN N N 15 115.606 0.084 . . . . . A 88 ASN N . 18431 1 1027 . 1 1 88 88 ASN ND2 N 15 112.511 0.015 . . . . . A 88 ASN ND2 . 18431 1 1028 . 1 1 89 89 VAL H H 1 8.367 0.012 . . . . . A 89 VAL H . 18431 1 1029 . 1 1 89 89 VAL HA H 1 3.421 0.014 . . . . . A 89 VAL HA . 18431 1 1030 . 1 1 89 89 VAL HB H 1 2.273 0.011 . . . . . A 89 VAL HB . 18431 1 1031 . 1 1 89 89 VAL HG11 H 1 0.918 0.020 . . . . . A 89 VAL HG11 . 18431 1 1032 . 1 1 89 89 VAL HG12 H 1 0.918 0.020 . . . . . A 89 VAL HG12 . 18431 1 1033 . 1 1 89 89 VAL HG13 H 1 0.918 0.020 . . . . . A 89 VAL HG13 . 18431 1 1034 . 1 1 89 89 VAL HG21 H 1 1.073 0.011 . . . . . A 89 VAL HG21 . 18431 1 1035 . 1 1 89 89 VAL HG22 H 1 1.073 0.011 . . . . . A 89 VAL HG22 . 18431 1 1036 . 1 1 89 89 VAL HG23 H 1 1.073 0.011 . . . . . A 89 VAL HG23 . 18431 1 1037 . 1 1 89 89 VAL CA C 13 66.777 0.130 . . . . . A 89 VAL CA . 18431 1 1038 . 1 1 89 89 VAL CB C 13 31.592 0.201 . . . . . A 89 VAL CB . 18431 1 1039 . 1 1 89 89 VAL CG1 C 13 21.633 0.095 . . . . . A 89 VAL CG1 . 18431 1 1040 . 1 1 89 89 VAL CG2 C 13 23.692 0.107 . . . . . A 89 VAL CG2 . 18431 1 1041 . 1 1 89 89 VAL N N 15 120.092 0.066 . . . . . A 89 VAL N . 18431 1 1042 . 1 1 90 90 GLN H H 1 8.780 0.012 . . . . . A 90 GLN H . 18431 1 1043 . 1 1 90 90 GLN HA H 1 4.427 0.021 . . . . . A 90 GLN HA . 18431 1 1044 . 1 1 90 90 GLN HB2 H 1 2.202 0.020 . . . . . A 90 GLN HB2 . 18431 1 1045 . 1 1 90 90 GLN HB3 H 1 2.069 0.017 . . . . . A 90 GLN HB3 . 18431 1 1046 . 1 1 90 90 GLN HG2 H 1 2.451 0.008 . . . . . A 90 GLN HG2 . 18431 1 1047 . 1 1 90 90 GLN HG3 H 1 2.521 0.009 . . . . . A 90 GLN HG3 . 18431 1 1048 . 1 1 90 90 GLN HE21 H 1 7.302 0.007 . . . . . A 90 GLN HE21 . 18431 1 1049 . 1 1 90 90 GLN HE22 H 1 7.145 0.008 . . . . . A 90 GLN HE22 . 18431 1 1050 . 1 1 90 90 GLN CA C 13 58.918 0.174 . . . . . A 90 GLN CA . 18431 1 1051 . 1 1 90 90 GLN CB C 13 28.471 0.080 . . . . . A 90 GLN CB . 18431 1 1052 . 1 1 90 90 GLN CG C 13 33.050 0.072 . . . . . A 90 GLN CG . 18431 1 1053 . 1 1 90 90 GLN N N 15 118.315 0.055 . . . . . A 90 GLN N . 18431 1 1054 . 1 1 90 90 GLN NE2 N 15 110.301 0.003 . . . . . A 90 GLN NE2 . 18431 1 1055 . 1 1 91 91 VAL H H 1 7.640 0.015 . . . . . A 91 VAL H . 18431 1 1056 . 1 1 91 91 VAL HA H 1 3.720 0.012 . . . . . A 91 VAL HA . 18431 1 1057 . 1 1 91 91 VAL HB H 1 2.106 0.013 . . . . . A 91 VAL HB . 18431 1 1058 . 1 1 91 91 VAL HG11 H 1 0.886 0.015 . . . . . A 91 VAL HG11 . 18431 1 1059 . 1 1 91 91 VAL HG12 H 1 0.886 0.015 . . . . . A 91 VAL HG12 . 18431 1 1060 . 1 1 91 91 VAL HG13 H 1 0.886 0.015 . . . . . A 91 VAL HG13 . 18431 1 1061 . 1 1 91 91 VAL HG21 H 1 1.042 0.014 . . . . . A 91 VAL HG21 . 18431 1 1062 . 1 1 91 91 VAL HG22 H 1 1.042 0.014 . . . . . A 91 VAL HG22 . 18431 1 1063 . 1 1 91 91 VAL HG23 H 1 1.042 0.014 . . . . . A 91 VAL HG23 . 18431 1 1064 . 1 1 91 91 VAL CA C 13 66.303 0.126 . . . . . A 91 VAL CA . 18431 1 1065 . 1 1 91 91 VAL CB C 13 31.641 0.075 . . . . . A 91 VAL CB . 18431 1 1066 . 1 1 91 91 VAL CG1 C 13 20.909 0.124 . . . . . A 91 VAL CG1 . 18431 1 1067 . 1 1 91 91 VAL CG2 C 13 22.587 0.220 . . . . . A 91 VAL CG2 . 18431 1 1068 . 1 1 91 91 VAL N N 15 118.757 0.055 . . . . . A 91 VAL N . 18431 1 1069 . 1 1 92 92 VAL H H 1 7.382 0.012 . . . . . A 92 VAL H . 18431 1 1070 . 1 1 92 92 VAL HA H 1 3.728 0.017 . . . . . A 92 VAL HA . 18431 1 1071 . 1 1 92 92 VAL HB H 1 2.073 0.020 . . . . . A 92 VAL HB . 18431 1 1072 . 1 1 92 92 VAL HG11 H 1 1.012 0.010 . . . . . A 92 VAL HG11 . 18431 1 1073 . 1 1 92 92 VAL HG12 H 1 1.012 0.010 . . . . . A 92 VAL HG12 . 18431 1 1074 . 1 1 92 92 VAL HG13 H 1 1.012 0.010 . . . . . A 92 VAL HG13 . 18431 1 1075 . 1 1 92 92 VAL HG21 H 1 1.039 0.010 . . . . . A 92 VAL HG21 . 18431 1 1076 . 1 1 92 92 VAL HG22 H 1 1.039 0.010 . . . . . A 92 VAL HG22 . 18431 1 1077 . 1 1 92 92 VAL HG23 H 1 1.039 0.010 . . . . . A 92 VAL HG23 . 18431 1 1078 . 1 1 92 92 VAL CA C 13 66.270 0.090 . . . . . A 92 VAL CA . 18431 1 1079 . 1 1 92 92 VAL CB C 13 31.354 0.162 . . . . . A 92 VAL CB . 18431 1 1080 . 1 1 92 92 VAL CG1 C 13 22.183 0.039 . . . . . A 92 VAL CG1 . 18431 1 1081 . 1 1 92 92 VAL CG2 C 13 22.400 0.163 . . . . . A 92 VAL CG2 . 18431 1 1082 . 1 1 92 92 VAL N N 15 120.289 0.027 . . . . . A 92 VAL N . 18431 1 1083 . 1 1 93 93 LEU H H 1 8.813 0.007 . . . . . A 93 LEU H . 18431 1 1084 . 1 1 93 93 LEU HA H 1 4.038 0.019 . . . . . A 93 LEU HA . 18431 1 1085 . 1 1 93 93 LEU HB2 H 1 1.855 0.013 . . . . . A 93 LEU HB2 . 18431 1 1086 . 1 1 93 93 LEU HB3 H 1 1.892 0.004 . . . . . A 93 LEU HB3 . 18431 1 1087 . 1 1 93 93 LEU HG H 1 1.782 0.009 . . . . . A 93 LEU HG . 18431 1 1088 . 1 1 93 93 LEU HD11 H 1 0.824 0.021 . . . . . A 93 LEU HD11 . 18431 1 1089 . 1 1 93 93 LEU HD12 H 1 0.824 0.021 . . . . . A 93 LEU HD12 . 18431 1 1090 . 1 1 93 93 LEU HD13 H 1 0.824 0.021 . . . . . A 93 LEU HD13 . 18431 1 1091 . 1 1 93 93 LEU HD21 H 1 0.862 0.014 . . . . . A 93 LEU HD21 . 18431 1 1092 . 1 1 93 93 LEU HD22 H 1 0.862 0.014 . . . . . A 93 LEU HD22 . 18431 1 1093 . 1 1 93 93 LEU HD23 H 1 0.862 0.014 . . . . . A 93 LEU HD23 . 18431 1 1094 . 1 1 93 93 LEU CA C 13 58.777 0.142 . . . . . A 93 LEU CA . 18431 1 1095 . 1 1 93 93 LEU CB C 13 41.790 0.080 . . . . . A 93 LEU CB . 18431 1 1096 . 1 1 93 93 LEU CG C 13 26.596 0.117 . . . . . A 93 LEU CG . 18431 1 1097 . 1 1 93 93 LEU CD1 C 13 24.745 0.131 . . . . . A 93 LEU CD1 . 18431 1 1098 . 1 1 93 93 LEU CD2 C 13 26.325 0.118 . . . . . A 93 LEU CD2 . 18431 1 1099 . 1 1 93 93 LEU N N 15 123.817 0.038 . . . . . A 93 LEU N . 18431 1 1100 . 1 1 94 94 GLN H H 1 8.469 0.009 . . . . . A 94 GLN H . 18431 1 1101 . 1 1 94 94 GLN HA H 1 3.990 0.005 . . . . . A 94 GLN HA . 18431 1 1102 . 1 1 94 94 GLN HB2 H 1 2.138 0.009 . . . . . A 94 GLN HB2 . 18431 1 1103 . 1 1 94 94 GLN HB3 H 1 2.138 0.009 . . . . . A 94 GLN HB3 . 18431 1 1104 . 1 1 94 94 GLN HG2 H 1 2.353 0.006 . . . . . A 94 GLN HG2 . 18431 1 1105 . 1 1 94 94 GLN HG3 H 1 2.435 0.002 . . . . . A 94 GLN HG3 . 18431 1 1106 . 1 1 94 94 GLN HE21 H 1 6.705 0.012 . . . . . A 94 GLN HE21 . 18431 1 1107 . 1 1 94 94 GLN HE22 H 1 7.402 0.007 . . . . . A 94 GLN HE22 . 18431 1 1108 . 1 1 94 94 GLN CA C 13 58.977 0.085 . . . . . A 94 GLN CA . 18431 1 1109 . 1 1 94 94 GLN CB C 13 28.270 0.111 . . . . . A 94 GLN CB . 18431 1 1110 . 1 1 94 94 GLN CG C 13 33.709 0.059 . . . . . A 94 GLN CG . 18431 1 1111 . 1 1 94 94 GLN N N 15 119.660 0.126 . . . . . A 94 GLN N . 18431 1 1112 . 1 1 94 94 GLN NE2 N 15 111.321 0.015 . . . . . A 94 GLN NE2 . 18431 1 1113 . 1 1 95 95 GLN H H 1 8.088 0.010 . . . . . A 95 GLN H . 18431 1 1114 . 1 1 95 95 GLN HA H 1 4.068 0.012 . . . . . A 95 GLN HA . 18431 1 1115 . 1 1 95 95 GLN HB2 H 1 2.220 0.016 . . . . . A 95 GLN HB2 . 18431 1 1116 . 1 1 95 95 GLN HB3 H 1 2.126 0.018 . . . . . A 95 GLN HB3 . 18431 1 1117 . 1 1 95 95 GLN HG2 H 1 2.554 0.018 . . . . . A 95 GLN HG2 . 18431 1 1118 . 1 1 95 95 GLN HG3 H 1 2.429 0.015 . . . . . A 95 GLN HG3 . 18431 1 1119 . 1 1 95 95 GLN HE21 H 1 6.747 0.007 . . . . . A 95 GLN HE21 . 18431 1 1120 . 1 1 95 95 GLN HE22 H 1 7.376 0.007 . . . . . A 95 GLN HE22 . 18431 1 1121 . 1 1 95 95 GLN CA C 13 57.991 0.087 . . . . . A 95 GLN CA . 18431 1 1122 . 1 1 95 95 GLN CB C 13 28.548 0.081 . . . . . A 95 GLN CB . 18431 1 1123 . 1 1 95 95 GLN CG C 13 33.651 0.158 . . . . . A 95 GLN CG . 18431 1 1124 . 1 1 95 95 GLN N N 15 117.593 0.045 . . . . . A 95 GLN N . 18431 1 1125 . 1 1 95 95 GLN NE2 N 15 111.132 0.043 . . . . . A 95 GLN NE2 . 18431 1 1126 . 1 1 96 96 THR H H 1 7.970 0.005 . . . . . A 96 THR H . 18431 1 1127 . 1 1 96 96 THR HA H 1 4.003 0.011 . . . . . A 96 THR HA . 18431 1 1128 . 1 1 96 96 THR HB H 1 3.774 0.018 . . . . . A 96 THR HB . 18431 1 1129 . 1 1 96 96 THR HG21 H 1 0.649 0.010 . . . . . A 96 THR HG21 . 18431 1 1130 . 1 1 96 96 THR HG22 H 1 0.649 0.010 . . . . . A 96 THR HG22 . 18431 1 1131 . 1 1 96 96 THR HG23 H 1 0.649 0.010 . . . . . A 96 THR HG23 . 18431 1 1132 . 1 1 96 96 THR CA C 13 64.857 0.091 . . . . . A 96 THR CA . 18431 1 1133 . 1 1 96 96 THR CB C 13 69.618 0.236 . . . . . A 96 THR CB . 18431 1 1134 . 1 1 96 96 THR CG2 C 13 20.666 0.186 . . . . . A 96 THR CG2 . 18431 1 1135 . 1 1 96 96 THR N N 15 113.065 0.070 . . . . . A 96 THR N . 18431 1 1136 . 1 1 97 97 TYR H H 1 8.438 0.007 . . . . . A 97 TYR H . 18431 1 1137 . 1 1 97 97 TYR HA H 1 4.717 0.014 . . . . . A 97 TYR HA . 18431 1 1138 . 1 1 97 97 TYR HB2 H 1 2.767 0.014 . . . . . A 97 TYR HB2 . 18431 1 1139 . 1 1 97 97 TYR HB3 H 1 3.275 0.023 . . . . . A 97 TYR HB3 . 18431 1 1140 . 1 1 97 97 TYR HD1 H 1 7.166 0.014 . . . . . A 97 TYR HD1 . 18431 1 1141 . 1 1 97 97 TYR HD2 H 1 7.166 0.014 . . . . . A 97 TYR HD2 . 18431 1 1142 . 1 1 97 97 TYR HE1 H 1 6.818 0.012 . . . . . A 97 TYR HE1 . 18431 1 1143 . 1 1 97 97 TYR HE2 H 1 6.818 0.012 . . . . . A 97 TYR HE2 . 18431 1 1144 . 1 1 97 97 TYR CA C 13 58.312 0.165 . . . . . A 97 TYR CA . 18431 1 1145 . 1 1 97 97 TYR CB C 13 40.223 0.094 . . . . . A 97 TYR CB . 18431 1 1146 . 1 1 97 97 TYR CD2 C 13 132.361 0.107 . . . . . A 97 TYR CD2 . 18431 1 1147 . 1 1 97 97 TYR CE2 C 13 117.827 0.060 . . . . . A 97 TYR CE2 . 18431 1 1148 . 1 1 97 97 TYR N N 15 118.178 0.067 . . . . . A 97 TYR N . 18431 1 1149 . 1 1 98 98 GLY H H 1 8.014 0.009 . . . . . A 98 GLY H . 18431 1 1150 . 1 1 98 98 GLY HA2 H 1 3.963 0.002 . . . . . A 98 GLY HA2 . 18431 1 1151 . 1 1 98 98 GLY HA3 H 1 4.090 0.026 . . . . . A 98 GLY HA3 . 18431 1 1152 . 1 1 98 98 GLY CA C 13 45.908 0.115 . . . . . A 98 GLY CA . 18431 1 1153 . 1 1 98 98 GLY N N 15 109.735 0.081 . . . . . A 98 GLY N . 18431 1 1154 . 1 1 99 99 SER H H 1 7.666 0.008 . . . . . A 99 SER H . 18431 1 1155 . 1 1 99 99 SER HA H 1 4.642 0.011 . . . . . A 99 SER HA . 18431 1 1156 . 1 1 99 99 SER HB2 H 1 3.757 0.013 . . . . . A 99 SER HB2 . 18431 1 1157 . 1 1 99 99 SER HB3 H 1 3.808 0.013 . . . . . A 99 SER HB3 . 18431 1 1158 . 1 1 99 99 SER CA C 13 57.226 0.135 . . . . . A 99 SER CA . 18431 1 1159 . 1 1 99 99 SER CB C 13 64.294 0.167 . . . . . A 99 SER CB . 18431 1 1160 . 1 1 99 99 SER N N 15 114.137 0.025 . . . . . A 99 SER N . 18431 1 1161 . 1 1 100 100 THR H H 1 7.899 0.005 . . . . . A 100 THR H . 18431 1 1162 . 1 1 100 100 THR HA H 1 4.424 0.013 . . . . . A 100 THR HA . 18431 1 1163 . 1 1 100 100 THR HB H 1 4.240 0.010 . . . . . A 100 THR HB . 18431 1 1164 . 1 1 100 100 THR HG21 H 1 1.183 0.013 . . . . . A 100 THR HG21 . 18431 1 1165 . 1 1 100 100 THR HG22 H 1 1.183 0.013 . . . . . A 100 THR HG22 . 18431 1 1166 . 1 1 100 100 THR HG23 H 1 1.183 0.013 . . . . . A 100 THR HG23 . 18431 1 1167 . 1 1 100 100 THR CA C 13 60.964 0.117 . . . . . A 100 THR CA . 18431 1 1168 . 1 1 100 100 THR CB C 13 70.303 0.077 . . . . . A 100 THR CB . 18431 1 1169 . 1 1 100 100 THR CG2 C 13 21.637 0.216 . . . . . A 100 THR CG2 . 18431 1 1170 . 1 1 100 100 THR N N 15 110.514 0.048 . . . . . A 100 THR N . 18431 1 1171 . 1 1 101 101 LEU H H 1 8.847 0.009 . . . . . A 101 LEU H . 18431 1 1172 . 1 1 101 101 LEU HA H 1 4.313 0.009 . . . . . A 101 LEU HA . 18431 1 1173 . 1 1 101 101 LEU HB2 H 1 1.490 0.010 . . . . . A 101 LEU HB2 . 18431 1 1174 . 1 1 101 101 LEU HB3 H 1 1.490 0.010 . . . . . A 101 LEU HB3 . 18431 1 1175 . 1 1 101 101 LEU HG H 1 1.511 0.017 . . . . . A 101 LEU HG . 18431 1 1176 . 1 1 101 101 LEU HD11 H 1 0.770 0.014 . . . . . A 101 LEU HD11 . 18431 1 1177 . 1 1 101 101 LEU HD12 H 1 0.770 0.014 . . . . . A 101 LEU HD12 . 18431 1 1178 . 1 1 101 101 LEU HD13 H 1 0.770 0.014 . . . . . A 101 LEU HD13 . 18431 1 1179 . 1 1 101 101 LEU HD21 H 1 0.805 0.019 . . . . . A 101 LEU HD21 . 18431 1 1180 . 1 1 101 101 LEU HD22 H 1 0.805 0.019 . . . . . A 101 LEU HD22 . 18431 1 1181 . 1 1 101 101 LEU HD23 H 1 0.805 0.019 . . . . . A 101 LEU HD23 . 18431 1 1182 . 1 1 101 101 LEU CA C 13 54.930 0.160 . . . . . A 101 LEU CA . 18431 1 1183 . 1 1 101 101 LEU CB C 13 42.501 0.314 . . . . . A 101 LEU CB . 18431 1 1184 . 1 1 101 101 LEU CG C 13 26.524 0.105 . . . . . A 101 LEU CG . 18431 1 1185 . 1 1 101 101 LEU CD1 C 13 23.707 0.263 . . . . . A 101 LEU CD1 . 18431 1 1186 . 1 1 101 101 LEU CD2 C 13 24.936 0.172 . . . . . A 101 LEU CD2 . 18431 1 1187 . 1 1 101 101 LEU N N 15 124.047 0.078 . . . . . A 101 LEU N . 18431 1 1188 . 1 1 102 102 LYS H H 1 8.578 0.011 . . . . . A 102 LYS H . 18431 1 1189 . 1 1 102 102 LYS HA H 1 4.415 0.013 . . . . . A 102 LYS HA . 18431 1 1190 . 1 1 102 102 LYS HB2 H 1 1.725 0.017 . . . . . A 102 LYS HB2 . 18431 1 1191 . 1 1 102 102 LYS HB3 H 1 1.810 0.011 . . . . . A 102 LYS HB3 . 18431 1 1192 . 1 1 102 102 LYS HG2 H 1 0.750 0.000 . . . . . A 102 LYS HG2 . 18431 1 1193 . 1 1 102 102 LYS HG3 H 1 1.358 0.013 . . . . . A 102 LYS HG3 . 18431 1 1194 . 1 1 102 102 LYS HD2 H 1 1.614 0.022 . . . . . A 102 LYS HD2 . 18431 1 1195 . 1 1 102 102 LYS HD3 H 1 1.614 0.022 . . . . . A 102 LYS HD3 . 18431 1 1196 . 1 1 102 102 LYS HE2 H 1 2.949 0.014 . . . . . A 102 LYS HE2 . 18431 1 1197 . 1 1 102 102 LYS HE3 H 1 2.949 0.014 . . . . . A 102 LYS HE3 . 18431 1 1198 . 1 1 102 102 LYS CA C 13 55.588 0.085 . . . . . A 102 LYS CA . 18431 1 1199 . 1 1 102 102 LYS CB C 13 32.596 0.084 . . . . . A 102 LYS CB . 18431 1 1200 . 1 1 102 102 LYS CG C 13 24.635 0.151 . . . . . A 102 LYS CG . 18431 1 1201 . 1 1 102 102 LYS CD C 13 28.963 0.076 . . . . . A 102 LYS CD . 18431 1 1202 . 1 1 102 102 LYS CE C 13 41.977 0.119 . . . . . A 102 LYS CE . 18431 1 1203 . 1 1 102 102 LYS N N 15 124.883 0.031 . . . . . A 102 LYS N . 18431 1 1204 . 1 1 103 103 VAL H H 1 8.348 0.009 . . . . . A 103 VAL H . 18431 1 1205 . 1 1 103 103 VAL HA H 1 4.237 0.021 . . . . . A 103 VAL HA . 18431 1 1206 . 1 1 103 103 VAL HB H 1 2.125 0.018 . . . . . A 103 VAL HB . 18431 1 1207 . 1 1 103 103 VAL HG11 H 1 0.920 0.016 . . . . . A 103 VAL HG11 . 18431 1 1208 . 1 1 103 103 VAL HG12 H 1 0.920 0.016 . . . . . A 103 VAL HG12 . 18431 1 1209 . 1 1 103 103 VAL HG13 H 1 0.920 0.016 . . . . . A 103 VAL HG13 . 18431 1 1210 . 1 1 103 103 VAL HG21 H 1 0.934 0.013 . . . . . A 103 VAL HG21 . 18431 1 1211 . 1 1 103 103 VAL HG22 H 1 0.934 0.013 . . . . . A 103 VAL HG22 . 18431 1 1212 . 1 1 103 103 VAL HG23 H 1 0.934 0.013 . . . . . A 103 VAL HG23 . 18431 1 1213 . 1 1 103 103 VAL CA C 13 61.956 0.129 . . . . . A 103 VAL CA . 18431 1 1214 . 1 1 103 103 VAL CB C 13 32.747 0.108 . . . . . A 103 VAL CB . 18431 1 1215 . 1 1 103 103 VAL CG1 C 13 20.487 0.120 . . . . . A 103 VAL CG1 . 18431 1 1216 . 1 1 103 103 VAL CG2 C 13 21.475 0.088 . . . . . A 103 VAL CG2 . 18431 1 1217 . 1 1 103 103 VAL N N 15 122.753 0.036 . . . . . A 103 VAL N . 18431 1 1218 . 1 1 104 104 THR H H 1 7.716 0.008 . . . . . A 104 THR H . 18431 1 1219 . 1 1 104 104 THR HA H 1 4.146 0.009 . . . . . A 104 THR HA . 18431 1 1220 . 1 1 104 104 THR HB H 1 4.214 0.013 . . . . . A 104 THR HB . 18431 1 1221 . 1 1 104 104 THR HG21 H 1 1.148 0.022 . . . . . A 104 THR HG21 . 18431 1 1222 . 1 1 104 104 THR HG22 H 1 1.148 0.022 . . . . . A 104 THR HG22 . 18431 1 1223 . 1 1 104 104 THR HG23 H 1 1.148 0.022 . . . . . A 104 THR HG23 . 18431 1 1224 . 1 1 104 104 THR CA C 13 62.514 0.274 . . . . . A 104 THR CA . 18431 1 1225 . 1 1 104 104 THR CB C 13 70.677 0.156 . . . . . A 104 THR CB . 18431 1 1226 . 1 1 104 104 THR CG2 C 13 21.932 0.112 . . . . . A 104 THR CG2 . 18431 1 1227 . 1 1 104 104 THR N N 15 122.264 0.050 . . . . . A 104 THR N . 18431 1 stop_ save_