data_4957 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4957 _Entry.Title ; Solution Structure of the Transcriptional Activation Domain of the Bacteriophage T4 Protein, MotA ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-02-16 _Entry.Accession_date 2001-02-19 _Entry.Last_release_date 2002-04-01 _Entry.Original_release_date 2002-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Ning Li . . . 4957 2 Weixing Zhang . . . 4957 3 Stephen White . W. . 4957 4 Richard Kriwacki . W. . 4957 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4957 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 693 4957 '13C chemical shifts' 413 4957 '15N chemical shifts' 91 4957 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-04-01 2001-02-16 original author . 4957 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4957 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21181601 _Citation.DOI . _Citation.PubMed_ID 11284685 _Citation.Full_citation . _Citation.Title ; Solution Structure of the Transcriptional Activation Domain of the Bacteriophage T4 Protein, MotA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 40 _Citation.Journal_issue 14 _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 4293 _Citation.Page_last 4302 _Citation.Year 2001 _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 Ning Li . . . 4957 1 2 Weixing Zhang . . . 4957 1 3 Stephen White . W. . 4957 1 4 Richard Kriwacki . W. . 4957 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MotNF 4957 1 'transcription activator' 4957 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MotNF _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MotNF _Assembly.Entry_ID 4957 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of MotA, MotNF' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4957 1 stop_ 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 'MotNF subunit 1' 1 $MotNF . . . native . . . . . 4957 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1I1S . . . . . 'Solution structure of MotNF' 4957 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'N-terminal domain of MotA, MotNF' system 4957 1 MotNF abbreviation 4957 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'activator of T4 phage middle-mode gene expression' 4957 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MotNF _Entity.Sf_category entity _Entity.Sf_framecode MotNF _Entity.Entry_ID 4957 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal domain of MotA' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSKVTYIIKASNDVLNEKTA TILITIAKKDFITAAEVREV HPDLGNAVVNSNIGVLIKKG LVEKSGDGLIITGEAQDIIS NAATLYAQENAPELLK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1BJA . "Activation Domain Of The Phage T4 Transcription Factor Mota" . . . . . 98.96 95 100.00 100.00 3.22e-58 . . . . 4957 1 2 no PDB 1I1S . "Solution Structure Of The Transcriptional Activation Domain Of The Bacteriophage T4 Protein Mota" . . . . . 100.00 96 100.00 100.00 2.70e-59 . . . . 4957 1 3 no DBJ BAI83277 . "MotA activator of middle period transcription [Enterobacteria phage AR1]" . . . . . 100.00 211 98.96 98.96 2.72e-57 . . . . 4957 1 4 no EMBL CAA88453 . "MotA [Enterobacteria phage T4]" . . . . . 100.00 211 100.00 100.00 3.91e-58 . . . . 4957 1 5 no EMBL CCI89155 . "protein of unknown function [Yersinia phage phiD1]" . . . . . 100.00 211 98.96 98.96 2.55e-57 . . . . 4957 1 6 no GB AAD42607 . "MotA activator of middle period transcription [Enterobacteria phage T4]" . . . . . 100.00 211 100.00 100.00 3.91e-58 . . . . 4957 1 7 no GB ABI95078 . "activator middle promoter [Enterobacteria phage RB32]" . . . . . 100.00 211 98.96 98.96 2.72e-57 . . . . 4957 1 8 no GB ACP30901 . "MotA [Enterobacteria phage RB14]" . . . . . 100.00 211 98.96 98.96 2.72e-57 . . . . 4957 1 9 no GB ACP31176 . "MotA [Enterobacteria phage RB51]" . . . . . 100.00 211 98.96 98.96 2.31e-57 . . . . 4957 1 10 no GB ADJ39982 . "activator of middle period transcription [Enterobacteria phage T4T]" . . . . . 100.00 211 100.00 100.00 3.91e-58 . . . . 4957 1 11 no REF NP_049873 . "MotA activator of middle period transcription [Enterobacteria phage T4]" . . . . . 100.00 211 100.00 100.00 3.91e-58 . . . . 4957 1 12 no REF YP_002854213 . "MotA [Enterobacteria phage RB51]" . . . . . 100.00 211 98.96 98.96 2.31e-57 . . . . 4957 1 13 no REF YP_002854593 . "MotA [Enterobacteria phage RB14]" . . . . . 100.00 211 98.96 98.96 2.72e-57 . . . . 4957 1 14 no REF YP_004415151 . "putative activator of middle period transcription [Shigella phage Shfl2]" . . . . . 100.00 211 98.96 98.96 2.72e-57 . . . . 4957 1 15 no REF YP_006986818 . "activator of middle period transcription [Enterobacteria phage vB_EcoM_ACG-C40]" . . . . . 100.00 211 98.96 98.96 2.72e-57 . . . . 4957 1 16 no SP P22915 . "RecName: Full=Middle transcription regulatory protein motA [Enterobacteria phage T4]" . . . . . 100.00 211 100.00 100.00 3.91e-58 . . . . 4957 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'N-terminal domain of MotA' common 4957 1 MotNF abbreviation 4957 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4957 1 2 . SER . 4957 1 3 . LYS . 4957 1 4 . VAL . 4957 1 5 . THR . 4957 1 6 . TYR . 4957 1 7 . ILE . 4957 1 8 . ILE . 4957 1 9 . LYS . 4957 1 10 . ALA . 4957 1 11 . SER . 4957 1 12 . ASN . 4957 1 13 . ASP . 4957 1 14 . VAL . 4957 1 15 . LEU . 4957 1 16 . ASN . 4957 1 17 . GLU . 4957 1 18 . LYS . 4957 1 19 . THR . 4957 1 20 . ALA . 4957 1 21 . THR . 4957 1 22 . ILE . 4957 1 23 . LEU . 4957 1 24 . ILE . 4957 1 25 . THR . 4957 1 26 . ILE . 4957 1 27 . ALA . 4957 1 28 . LYS . 4957 1 29 . LYS . 4957 1 30 . ASP . 4957 1 31 . PHE . 4957 1 32 . ILE . 4957 1 33 . THR . 4957 1 34 . ALA . 4957 1 35 . ALA . 4957 1 36 . GLU . 4957 1 37 . VAL . 4957 1 38 . ARG . 4957 1 39 . GLU . 4957 1 40 . VAL . 4957 1 41 . HIS . 4957 1 42 . PRO . 4957 1 43 . ASP . 4957 1 44 . LEU . 4957 1 45 . GLY . 4957 1 46 . ASN . 4957 1 47 . ALA . 4957 1 48 . VAL . 4957 1 49 . VAL . 4957 1 50 . ASN . 4957 1 51 . SER . 4957 1 52 . ASN . 4957 1 53 . ILE . 4957 1 54 . GLY . 4957 1 55 . VAL . 4957 1 56 . LEU . 4957 1 57 . ILE . 4957 1 58 . LYS . 4957 1 59 . LYS . 4957 1 60 . GLY . 4957 1 61 . LEU . 4957 1 62 . VAL . 4957 1 63 . GLU . 4957 1 64 . LYS . 4957 1 65 . SER . 4957 1 66 . GLY . 4957 1 67 . ASP . 4957 1 68 . GLY . 4957 1 69 . LEU . 4957 1 70 . ILE . 4957 1 71 . ILE . 4957 1 72 . THR . 4957 1 73 . GLY . 4957 1 74 . GLU . 4957 1 75 . ALA . 4957 1 76 . GLN . 4957 1 77 . ASP . 4957 1 78 . ILE . 4957 1 79 . ILE . 4957 1 80 . SER . 4957 1 81 . ASN . 4957 1 82 . ALA . 4957 1 83 . ALA . 4957 1 84 . THR . 4957 1 85 . LEU . 4957 1 86 . TYR . 4957 1 87 . ALA . 4957 1 88 . GLN . 4957 1 89 . GLU . 4957 1 90 . ASN . 4957 1 91 . ALA . 4957 1 92 . PRO . 4957 1 93 . GLU . 4957 1 94 . LEU . 4957 1 95 . LEU . 4957 1 96 . LYS . 4957 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4957 1 . SER 2 2 4957 1 . LYS 3 3 4957 1 . VAL 4 4 4957 1 . THR 5 5 4957 1 . TYR 6 6 4957 1 . ILE 7 7 4957 1 . ILE 8 8 4957 1 . LYS 9 9 4957 1 . ALA 10 10 4957 1 . SER 11 11 4957 1 . ASN 12 12 4957 1 . ASP 13 13 4957 1 . VAL 14 14 4957 1 . LEU 15 15 4957 1 . ASN 16 16 4957 1 . GLU 17 17 4957 1 . LYS 18 18 4957 1 . THR 19 19 4957 1 . ALA 20 20 4957 1 . THR 21 21 4957 1 . ILE 22 22 4957 1 . LEU 23 23 4957 1 . ILE 24 24 4957 1 . THR 25 25 4957 1 . ILE 26 26 4957 1 . ALA 27 27 4957 1 . LYS 28 28 4957 1 . LYS 29 29 4957 1 . ASP 30 30 4957 1 . PHE 31 31 4957 1 . ILE 32 32 4957 1 . THR 33 33 4957 1 . ALA 34 34 4957 1 . ALA 35 35 4957 1 . GLU 36 36 4957 1 . VAL 37 37 4957 1 . ARG 38 38 4957 1 . GLU 39 39 4957 1 . VAL 40 40 4957 1 . HIS 41 41 4957 1 . PRO 42 42 4957 1 . ASP 43 43 4957 1 . LEU 44 44 4957 1 . GLY 45 45 4957 1 . ASN 46 46 4957 1 . ALA 47 47 4957 1 . VAL 48 48 4957 1 . VAL 49 49 4957 1 . ASN 50 50 4957 1 . SER 51 51 4957 1 . ASN 52 52 4957 1 . ILE 53 53 4957 1 . GLY 54 54 4957 1 . VAL 55 55 4957 1 . LEU 56 56 4957 1 . ILE 57 57 4957 1 . LYS 58 58 4957 1 . LYS 59 59 4957 1 . GLY 60 60 4957 1 . LEU 61 61 4957 1 . VAL 62 62 4957 1 . GLU 63 63 4957 1 . LYS 64 64 4957 1 . SER 65 65 4957 1 . GLY 66 66 4957 1 . ASP 67 67 4957 1 . GLY 68 68 4957 1 . LEU 69 69 4957 1 . ILE 70 70 4957 1 . ILE 71 71 4957 1 . THR 72 72 4957 1 . GLY 73 73 4957 1 . GLU 74 74 4957 1 . ALA 75 75 4957 1 . GLN 76 76 4957 1 . ASP 77 77 4957 1 . ILE 78 78 4957 1 . ILE 79 79 4957 1 . SER 80 80 4957 1 . ASN 81 81 4957 1 . ALA 82 82 4957 1 . ALA 83 83 4957 1 . THR 84 84 4957 1 . LEU 85 85 4957 1 . TYR 86 86 4957 1 . ALA 87 87 4957 1 . GLN 88 88 4957 1 . GLU 89 89 4957 1 . ASN 90 90 4957 1 . ALA 91 91 4957 1 . PRO 92 92 4957 1 . GLU 93 93 4957 1 . LEU 94 94 4957 1 . LEU 95 95 4957 1 . LYS 96 96 4957 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 4957 _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 $MotNF . . . . 'Coliphage T4 coliphage T4' 'Coliphage T4' . . virus . 'Coliphage T4' 'coliphage T4' . . . . . . . . . . . . . . . . MotA . . . . 4957 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 4957 _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 $MotNF . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . ; MotNF is comprised of the N-terminal domain of MotA, amino acids 1-96. ; . . 4957 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4957 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'N-terminal domain of MotA' '[U-98% 15N]' . . 1 $MotNF . . 2.0 . . mM . . . . 4957 1 2 'potassium phosphate' . . . . . . . 200 . . mM . . . . 4957 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4957 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'N-terminal domain of MotA' '[U-99% 13C; U-98% 15N]' . . 1 $MotNF . . 2.0 . . mM . . . . 4957 2 2 'potassium phosphate' . . . . . . . 200 . . mM . . . . 4957 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4957 _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 pH 6.5 0.1 n/a 4957 1 temperature 301 1 K 4957 1 'ionic strength' 300 . mM 4957 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 4957 _Software.ID 1 _Software.Name Felix _Software.Version 97.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Molecular Simulations, Inc.' 'San Diego, CA' . 4957 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4957 1 'display and analysis' 4957 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4957 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4957 _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 NMR_spectrometer Varian INOVA . 600 . . . 4957 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 4957 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4957 _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 H 1 TSP 'methyl protons' . . . . ppm 0.0 . direct 1.0 external . parallel . . . . . . 4957 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4957 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4957 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set_1 _Assigned_chem_shift_list.Entry_ID 4957 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4957 1 . . 2 $sample_2 . 4957 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 LYS HA H 1 4.33 0.01 . 1 . . . . . . . . 4957 1 2 . 1 1 3 3 LYS HB2 H 1 1.87 0.01 . 2 . . . . . . . . 4957 1 3 . 1 1 3 3 LYS HB3 H 1 1.81 0.01 . 2 . . . . . . . . 4957 1 4 . 1 1 3 3 LYS HG2 H 1 1.38 0.01 . 2 . . . . . . . . 4957 1 5 . 1 1 3 3 LYS HG3 H 1 1.24 0.01 . 2 . . . . . . . . 4957 1 6 . 1 1 3 3 LYS HD2 H 1 1.56 0.01 . 1 . . . . . . . . 4957 1 7 . 1 1 3 3 LYS HD3 H 1 1.56 0.01 . 1 . . . . . . . . 4957 1 8 . 1 1 3 3 LYS C C 13 178.2 0.15 . 1 . . . . . . . . 4957 1 9 . 1 1 3 3 LYS CA C 13 58.5 0.15 . 1 . . . . . . . . 4957 1 10 . 1 1 3 3 LYS CB C 13 32.6 0.15 . 1 . . . . . . . . 4957 1 11 . 1 1 3 3 LYS CG C 13 25.2 0.15 . 1 . . . . . . . . 4957 1 12 . 1 1 3 3 LYS CD C 13 29.1 0.15 . 1 . . . . . . . . 4957 1 13 . 1 1 3 3 LYS CE C 13 41.9 0.15 . 1 . . . . . . . . 4957 1 14 . 1 1 4 4 VAL H H 1 8.09 0.01 . 1 . . . . . . . . 4957 1 15 . 1 1 4 4 VAL HA H 1 3.64 0.01 . 1 . . . . . . . . 4957 1 16 . 1 1 4 4 VAL HB H 1 2.08 0.01 . 1 . . . . . . . . 4957 1 17 . 1 1 4 4 VAL HG11 H 1 0.99 0.01 . 1 . . . . . . . . 4957 1 18 . 1 1 4 4 VAL HG12 H 1 0.99 0.01 . 1 . . . . . . . . 4957 1 19 . 1 1 4 4 VAL HG13 H 1 0.99 0.01 . 1 . . . . . . . . 4957 1 20 . 1 1 4 4 VAL HG21 H 1 0.91 0.01 . 1 . . . . . . . . 4957 1 21 . 1 1 4 4 VAL HG22 H 1 0.91 0.01 . 1 . . . . . . . . 4957 1 22 . 1 1 4 4 VAL HG23 H 1 0.91 0.01 . 1 . . . . . . . . 4957 1 23 . 1 1 4 4 VAL C C 13 176.9 0.15 . 1 . . . . . . . . 4957 1 24 . 1 1 4 4 VAL CA C 13 66.1 0.15 . 1 . . . . . . . . 4957 1 25 . 1 1 4 4 VAL CB C 13 32.0 0.15 . 1 . . . . . . . . 4957 1 26 . 1 1 4 4 VAL CG1 C 13 22.6 0.15 . 1 . . . . . . . . 4957 1 27 . 1 1 4 4 VAL CG2 C 13 21.5 0.15 . 1 . . . . . . . . 4957 1 28 . 1 1 4 4 VAL N N 15 118.7 0.20 . 1 . . . . . . . . 4957 1 29 . 1 1 5 5 THR H H 1 7.80 0.01 . 1 . . . . . . . . 4957 1 30 . 1 1 5 5 THR HA H 1 3.73 0.01 . 1 . . . . . . . . 4957 1 31 . 1 1 5 5 THR HB H 1 3.92 0.01 . 1 . . . . . . . . 4957 1 32 . 1 1 5 5 THR HG21 H 1 1.00 0.01 . 1 . . . . . . . . 4957 1 33 . 1 1 5 5 THR HG22 H 1 1.00 0.01 . 1 . . . . . . . . 4957 1 34 . 1 1 5 5 THR HG23 H 1 1.00 0.01 . 1 . . . . . . . . 4957 1 35 . 1 1 5 5 THR C C 13 176.6 0.15 . 1 . . . . . . . . 4957 1 36 . 1 1 5 5 THR CA C 13 66.3 0.15 . 1 . . . . . . . . 4957 1 37 . 1 1 5 5 THR CB C 13 68.5 0.15 . 1 . . . . . . . . 4957 1 38 . 1 1 5 5 THR CG2 C 13 21.9 0.15 . 1 . . . . . . . . 4957 1 39 . 1 1 5 5 THR N N 15 115.9 0.20 . 1 . . . . . . . . 4957 1 40 . 1 1 6 6 TYR H H 1 7.47 0.01 . 1 . . . . . . . . 4957 1 41 . 1 1 6 6 TYR HA H 1 4.10 0.01 . 1 . . . . . . . . 4957 1 42 . 1 1 6 6 TYR HB2 H 1 3.00 0.01 . 1 . . . . . . . . 4957 1 43 . 1 1 6 6 TYR HB3 H 1 3.28 0.01 . 1 . . . . . . . . 4957 1 44 . 1 1 6 6 TYR HD1 H 1 7.23 0.01 . 1 . . . . . . . . 4957 1 45 . 1 1 6 6 TYR HD2 H 1 7.23 0.01 . 1 . . . . . . . . 4957 1 46 . 1 1 6 6 TYR HE1 H 1 6.92 0.01 . 1 . . . . . . . . 4957 1 47 . 1 1 6 6 TYR HE2 H 1 6.92 0.01 . 1 . . . . . . . . 4957 1 48 . 1 1 6 6 TYR C C 13 177.4 0.15 . 1 . . . . . . . . 4957 1 49 . 1 1 6 6 TYR CA C 13 62.5 0.15 . 1 . . . . . . . . 4957 1 50 . 1 1 6 6 TYR CB C 13 38.2 0.15 . 1 . . . . . . . . 4957 1 51 . 1 1 6 6 TYR CD1 C 13 132.9 0.15 . 1 . . . . . . . . 4957 1 52 . 1 1 6 6 TYR CD2 C 13 132.9 0.15 . 1 . . . . . . . . 4957 1 53 . 1 1 6 6 TYR CE1 C 13 118.7 0.15 . 1 . . . . . . . . 4957 1 54 . 1 1 6 6 TYR CE2 C 13 118.7 0.15 . 1 . . . . . . . . 4957 1 55 . 1 1 6 6 TYR N N 15 120.8 0.20 . 1 . . . . . . . . 4957 1 56 . 1 1 7 7 ILE H H 1 7.75 0.01 . 1 . . . . . . . . 4957 1 57 . 1 1 7 7 ILE HA H 1 3.65 0.01 . 1 . . . . . . . . 4957 1 58 . 1 1 7 7 ILE HB H 1 2.05 0.01 . 1 . . . . . . . . 4957 1 59 . 1 1 7 7 ILE HG12 H 1 1.57 0.01 . 2 . . . . . . . . 4957 1 60 . 1 1 7 7 ILE HG13 H 1 1.13 0.01 . 2 . . . . . . . . 4957 1 61 . 1 1 7 7 ILE HG21 H 1 0.76 0.01 . 1 . . . . . . . . 4957 1 62 . 1 1 7 7 ILE HG22 H 1 0.76 0.01 . 1 . . . . . . . . 4957 1 63 . 1 1 7 7 ILE HG23 H 1 0.76 0.01 . 1 . . . . . . . . 4957 1 64 . 1 1 7 7 ILE HD11 H 1 0.76 0.01 . 1 . . . . . . . . 4957 1 65 . 1 1 7 7 ILE HD12 H 1 0.76 0.01 . 1 . . . . . . . . 4957 1 66 . 1 1 7 7 ILE HD13 H 1 0.76 0.01 . 1 . . . . . . . . 4957 1 67 . 1 1 7 7 ILE C C 13 177.4 0.15 . 1 . . . . . . . . 4957 1 68 . 1 1 7 7 ILE CA C 13 64.5 0.15 . 1 . . . . . . . . 4957 1 69 . 1 1 7 7 ILE CB C 13 36.9 0.15 . 1 . . . . . . . . 4957 1 70 . 1 1 7 7 ILE CG1 C 13 28.9 0.15 . 1 . . . . . . . . 4957 1 71 . 1 1 7 7 ILE CG2 C 13 18.2 0.15 . 1 . . . . . . . . 4957 1 72 . 1 1 7 7 ILE CD1 C 13 13.0 0.15 . 1 . . . . . . . . 4957 1 73 . 1 1 7 7 ILE N N 15 123.1 0.20 . 1 . . . . . . . . 4957 1 74 . 1 1 8 8 ILE H H 1 8.05 0.01 . 1 . . . . . . . . 4957 1 75 . 1 1 8 8 ILE HA H 1 3.31 0.01 . 1 . . . . . . . . 4957 1 76 . 1 1 8 8 ILE HB H 1 1.76 0.01 . 1 . . . . . . . . 4957 1 77 . 1 1 8 8 ILE HG12 H 1 1.52 0.01 . 2 . . . . . . . . 4957 1 78 . 1 1 8 8 ILE HG13 H 1 0.35 0.01 . 2 . . . . . . . . 4957 1 79 . 1 1 8 8 ILE HG21 H 1 0.63 0.01 . 1 . . . . . . . . 4957 1 80 . 1 1 8 8 ILE HG22 H 1 0.63 0.01 . 1 . . . . . . . . 4957 1 81 . 1 1 8 8 ILE HG23 H 1 0.63 0.01 . 1 . . . . . . . . 4957 1 82 . 1 1 8 8 ILE HD11 H 1 0.88 0.01 . 1 . . . . . . . . 4957 1 83 . 1 1 8 8 ILE HD12 H 1 0.88 0.01 . 1 . . . . . . . . 4957 1 84 . 1 1 8 8 ILE HD13 H 1 0.88 0.01 . 1 . . . . . . . . 4957 1 85 . 1 1 8 8 ILE C C 13 181.0 0.15 . 1 . . . . . . . . 4957 1 86 . 1 1 8 8 ILE CA C 13 66.5 0.15 . 1 . . . . . . . . 4957 1 87 . 1 1 8 8 ILE CB C 13 38.4 0.15 . 1 . . . . . . . . 4957 1 88 . 1 1 8 8 ILE CG1 C 13 29.2 0.15 . 1 . . . . . . . . 4957 1 89 . 1 1 8 8 ILE CG2 C 13 16.8 0.15 . 1 . . . . . . . . 4957 1 90 . 1 1 8 8 ILE CD1 C 13 14.0 0.15 . 1 . . . . . . . . 4957 1 91 . 1 1 8 8 ILE N N 15 120.9 0.02 . 1 . . . . . . . . 4957 1 92 . 1 1 9 9 LYS H H 1 8.04 0.01 . 1 . . . . . . . . 4957 1 93 . 1 1 9 9 LYS HA H 1 4.19 0.01 . 1 . . . . . . . . 4957 1 94 . 1 1 9 9 LYS HB2 H 1 1.87 0.01 . 1 . . . . . . . . 4957 1 95 . 1 1 9 9 LYS HB3 H 1 1.87 0.01 . 1 . . . . . . . . 4957 1 96 . 1 1 9 9 LYS HG2 H 1 1.54 0.01 . 2 . . . . . . . . 4957 1 97 . 1 1 9 9 LYS HG3 H 1 1.48 0.01 . 2 . . . . . . . . 4957 1 98 . 1 1 9 9 LYS HD2 H 1 1.47 0.01 . 1 . . . . . . . . 4957 1 99 . 1 1 9 9 LYS HD3 H 1 1.47 0.01 . 1 . . . . . . . . 4957 1 100 . 1 1 9 9 LYS HE2 H 1 2.79 0.01 . 1 . . . . . . . . 4957 1 101 . 1 1 9 9 LYS HE3 H 1 2.79 0.01 . 1 . . . . . . . . 4957 1 102 . 1 1 9 9 LYS C C 13 180.1 0.15 . 1 . . . . . . . . 4957 1 103 . 1 1 9 9 LYS CA C 13 59.7 0.15 . 1 . . . . . . . . 4957 1 104 . 1 1 9 9 LYS CB C 13 32.6 0.15 . 1 . . . . . . . . 4957 1 105 . 1 1 9 9 LYS CG C 13 24.9 0.15 . 1 . . . . . . . . 4957 1 106 . 1 1 9 9 LYS CD C 13 29.3 0.15 . 1 . . . . . . . . 4957 1 107 . 1 1 9 9 LYS CE C 13 41.9 0.15 . 1 . . . . . . . . 4957 1 108 . 1 1 9 9 LYS N N 15 123.2 0.20 . 1 . . . . . . . . 4957 1 109 . 1 1 10 10 ALA H H 1 8.63 0.01 . 1 . . . . . . . . 4957 1 110 . 1 1 10 10 ALA HA H 1 4.25 0.01 . 1 . . . . . . . . 4957 1 111 . 1 1 10 10 ALA HB1 H 1 1.58 0.01 . 1 . . . . . . . . 4957 1 112 . 1 1 10 10 ALA HB2 H 1 1.58 0.01 . 1 . . . . . . . . 4957 1 113 . 1 1 10 10 ALA HB3 H 1 1.58 0.01 . 1 . . . . . . . . 4957 1 114 . 1 1 10 10 ALA C C 13 177.8 0.15 . 1 . . . . . . . . 4957 1 115 . 1 1 10 10 ALA CA C 13 54.4 0.15 . 1 . . . . . . . . 4957 1 116 . 1 1 10 10 ALA CB C 13 19.3 0.15 . 1 . . . . . . . . 4957 1 117 . 1 1 10 10 ALA N N 15 123.7 0.20 . 1 . . . . . . . . 4957 1 118 . 1 1 11 11 SER H H 1 7.96 0.01 . 1 . . . . . . . . 4957 1 119 . 1 1 11 11 SER HA H 1 4.44 0.01 . 1 . . . . . . . . 4957 1 120 . 1 1 11 11 SER HB2 H 1 4.16 0.01 . 1 . . . . . . . . 4957 1 121 . 1 1 11 11 SER HB3 H 1 4.08 0.01 . 1 . . . . . . . . 4957 1 122 . 1 1 11 11 SER C C 13 174.8 0.15 . 1 . . . . . . . . 4957 1 123 . 1 1 11 11 SER CA C 13 58.7 0.15 . 1 . . . . . . . . 4957 1 124 . 1 1 11 11 SER CB C 13 64.8 0.15 . 1 . . . . . . . . 4957 1 125 . 1 1 11 11 SER N N 15 113.6 0.20 . 1 . . . . . . . . 4957 1 126 . 1 1 12 12 ASN H H 1 8.48 0.01 . 1 . . . . . . . . 4957 1 127 . 1 1 12 12 ASN HA H 1 4.46 0.01 . 1 . . . . . . . . 4957 1 128 . 1 1 12 12 ASN HB2 H 1 2.86 0.01 . 1 . . . . . . . . 4957 1 129 . 1 1 12 12 ASN HB3 H 1 3.15 0.01 . 1 . . . . . . . . 4957 1 130 . 1 1 12 12 ASN HD21 H 1 7.51 0.01 . 9 . . . . . . . . 4957 1 131 . 1 1 12 12 ASN HD22 H 1 6.82 0.01 . 9 . . . . . . . . 4957 1 132 . 1 1 12 12 ASN C C 13 174.3 0.15 . 1 . . . . . . . . 4957 1 133 . 1 1 12 12 ASN CA C 13 54.8 0.15 . 1 . . . . . . . . 4957 1 134 . 1 1 12 12 ASN CB C 13 37.0 0.15 . 1 . . . . . . . . 4957 1 135 . 1 1 12 12 ASN N N 15 123.0 0.20 . 1 . . . . . . . . 4957 1 136 . 1 1 13 13 ASP H H 1 7.79 0.01 . 1 . . . . . . . . 4957 1 137 . 1 1 13 13 ASP HA H 1 4.08 0.01 . 1 . . . . . . . . 4957 1 138 . 1 1 13 13 ASP HB2 H 1 2.86 0.01 . 1 . . . . . . . . 4957 1 139 . 1 1 13 13 ASP HB3 H 1 2.92 0.01 . 1 . . . . . . . . 4957 1 140 . 1 1 13 13 ASP C C 13 175.1 0.15 . 1 . . . . . . . . 4957 1 141 . 1 1 13 13 ASP CA C 13 56.5 0.15 . 1 . . . . . . . . 4957 1 142 . 1 1 13 13 ASP CB C 13 39.1 0.15 . 1 . . . . . . . . 4957 1 143 . 1 1 13 13 ASP N N 15 110.4 0.20 . 1 . . . . . . . . 4957 1 144 . 1 1 14 14 VAL H H 1 7.51 0.01 . 1 . . . . . . . . 4957 1 145 . 1 1 14 14 VAL HA H 1 3.89 0.01 . 1 . . . . . . . . 4957 1 146 . 1 1 14 14 VAL HB H 1 1.95 0.01 . 1 . . . . . . . . 4957 1 147 . 1 1 14 14 VAL HG11 H 1 0.97 0.01 . 1 . . . . . . . . 4957 1 148 . 1 1 14 14 VAL HG12 H 1 0.97 0.01 . 1 . . . . . . . . 4957 1 149 . 1 1 14 14 VAL HG13 H 1 0.97 0.01 . 1 . . . . . . . . 4957 1 150 . 1 1 14 14 VAL HG21 H 1 1.13 0.01 . 1 . . . . . . . . 4957 1 151 . 1 1 14 14 VAL HG22 H 1 1.13 0.01 . 1 . . . . . . . . 4957 1 152 . 1 1 14 14 VAL HG23 H 1 1.13 0.01 . 1 . . . . . . . . 4957 1 153 . 1 1 14 14 VAL C C 13 177.7 0.15 . 1 . . . . . . . . 4957 1 154 . 1 1 14 14 VAL CA C 13 65.0 0.15 . 1 . . . . . . . . 4957 1 155 . 1 1 14 14 VAL CB C 13 33.2 0.15 . 1 . . . . . . . . 4957 1 156 . 1 1 14 14 VAL CG1 C 13 20.9 0.15 . 1 . . . . . . . . 4957 1 157 . 1 1 14 14 VAL CG2 C 13 22.6 0.15 . 1 . . . . . . . . 4957 1 158 . 1 1 14 14 VAL N N 15 119.8 0.20 . 1 . . . . . . . . 4957 1 159 . 1 1 15 15 LEU H H 1 7.47 0.01 . 1 . . . . . . . . 4957 1 160 . 1 1 15 15 LEU HA H 1 4.39 0.01 . 1 . . . . . . . . 4957 1 161 . 1 1 15 15 LEU HB2 H 1 1.33 0.01 . 1 . . . . . . . . 4957 1 162 . 1 1 15 15 LEU HB3 H 1 1.49 0.01 . 1 . . . . . . . . 4957 1 163 . 1 1 15 15 LEU HG H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 164 . 1 1 15 15 LEU HD11 H 1 0.66 0.01 . 1 . . . . . . . . 4957 1 165 . 1 1 15 15 LEU HD12 H 1 0.66 0.01 . 1 . . . . . . . . 4957 1 166 . 1 1 15 15 LEU HD13 H 1 0.66 0.01 . 1 . . . . . . . . 4957 1 167 . 1 1 15 15 LEU HD21 H 1 0.66 0.01 . 1 . . . . . . . . 4957 1 168 . 1 1 15 15 LEU HD22 H 1 0.66 0.01 . 1 . . . . . . . . 4957 1 169 . 1 1 15 15 LEU HD23 H 1 0.66 0.01 . 1 . . . . . . . . 4957 1 170 . 1 1 15 15 LEU C C 13 174.1 0.15 . 1 . . . . . . . . 4957 1 171 . 1 1 15 15 LEU CA C 13 53.2 0.15 . 1 . . . . . . . . 4957 1 172 . 1 1 15 15 LEU CB C 13 43.4 0.15 . 1 . . . . . . . . 4957 1 173 . 1 1 15 15 LEU CG C 13 27.3 0.15 . 1 . . . . . . . . 4957 1 174 . 1 1 15 15 LEU CD1 C 13 22.6 0.15 . 1 . . . . . . . . 4957 1 175 . 1 1 15 15 LEU CD2 C 13 22.6 0.15 . 1 . . . . . . . . 4957 1 176 . 1 1 15 15 LEU N N 15 117.8 0.20 . 1 . . . . . . . . 4957 1 177 . 1 1 16 16 ASN H H 1 7.62 0.01 . 1 . . . . . . . . 4957 1 178 . 1 1 16 16 ASN HA H 1 4.67 0.01 . 1 . . . . . . . . 4957 1 179 . 1 1 16 16 ASN HB2 H 1 2.81 0.01 . 1 . . . . . . . . 4957 1 180 . 1 1 16 16 ASN HB3 H 1 3.18 0.01 . 1 . . . . . . . . 4957 1 181 . 1 1 16 16 ASN HD21 H 1 7.17 0.01 . 9 . . . . . . . . 4957 1 182 . 1 1 16 16 ASN HD22 H 1 7.64 0.01 . 9 . . . . . . . . 4957 1 183 . 1 1 16 16 ASN C C 13 174.8 0.15 . 1 . . . . . . . . 4957 1 184 . 1 1 16 16 ASN CA C 13 51.0 0.15 . 1 . . . . . . . . 4957 1 185 . 1 1 16 16 ASN CB C 13 40.4 0.15 . 1 . . . . . . . . 4957 1 186 . 1 1 16 16 ASN N N 15 116.80 0.20 . 1 . . . . . . . . 4957 1 187 . 1 1 17 17 GLU H H 1 9.02 0.01 . 1 . . . . . . . . 4957 1 188 . 1 1 17 17 GLU HA H 1 3.73 0.01 . 1 . . . . . . . . 4957 1 189 . 1 1 17 17 GLU HB2 H 1 2.04 0.01 . 1 . . . . . . . . 4957 1 190 . 1 1 17 17 GLU HB3 H 1 2.04 0.01 . 1 . . . . . . . . 4957 1 191 . 1 1 17 17 GLU HG2 H 1 2.20 0.01 . 2 . . . . . . . . 4957 1 192 . 1 1 17 17 GLU HG3 H 1 2.24 0.01 . 2 . . . . . . . . 4957 1 193 . 1 1 17 17 GLU C C 13 178.5 0.15 . 1 . . . . . . . . 4957 1 194 . 1 1 17 17 GLU CA C 13 61.4 0.15 . 1 . . . . . . . . 4957 1 195 . 1 1 17 17 GLU CB C 13 29.3 0.15 . 1 . . . . . . . . 4957 1 196 . 1 1 17 17 GLU CG C 13 36.4 0.15 . 1 . . . . . . . . 4957 1 197 . 1 1 17 17 GLU N N 15 118.8 0.20 . 1 . . . . . . . . 4957 1 198 . 1 1 18 18 LYS H H 1 8.22 0.01 . 1 . . . . . . . . 4957 1 199 . 1 1 18 18 LYS HA H 1 4.01 0.01 . 1 . . . . . . . . 4957 1 200 . 1 1 18 18 LYS HB2 H 1 1.45 0.01 . 1 . . . . . . . . 4957 1 201 . 1 1 18 18 LYS HB3 H 1 2.03 0.01 . 1 . . . . . . . . 4957 1 202 . 1 1 18 18 LYS HG2 H 1 1.56 0.01 . 2 . . . . . . . . 4957 1 203 . 1 1 18 18 LYS HG3 H 1 1.37 0.01 . 2 . . . . . . . . 4957 1 204 . 1 1 18 18 LYS HD2 H 1 1.73 0.01 . 1 . . . . . . . . 4957 1 205 . 1 1 18 18 LYS HD3 H 1 1.73 0.01 . 1 . . . . . . . . 4957 1 206 . 1 1 18 18 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 4957 1 207 . 1 1 18 18 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 4957 1 208 . 1 1 18 18 LYS C C 13 178.1 0.15 . 1 . . . . . . . . 4957 1 209 . 1 1 18 18 LYS CA C 13 59.9 0.15 . 1 . . . . . . . . 4957 1 210 . 1 1 18 18 LYS CB C 13 32.7 0.15 . 1 . . . . . . . . 4957 1 211 . 1 1 18 18 LYS CG C 13 26.1 0.15 . 1 . . . . . . . . 4957 1 212 . 1 1 18 18 LYS CD C 13 29.3 0.15 . 1 . . . . . . . . 4957 1 213 . 1 1 18 18 LYS CE C 13 42.3 0.15 . 1 . . . . . . . . 4957 1 214 . 1 1 18 18 LYS N N 15 120.3 0.20 . 1 . . . . . . . . 4957 1 215 . 1 1 19 19 THR H H 1 8.38 0.01 . 1 . . . . . . . . 4957 1 216 . 1 1 19 19 THR HA H 1 3.69 0.01 . 1 . . . . . . . . 4957 1 217 . 1 1 19 19 THR HB H 1 4.14 0.01 . 1 . . . . . . . . 4957 1 218 . 1 1 19 19 THR HG21 H 1 1.41 0.01 . 1 . . . . . . . . 4957 1 219 . 1 1 19 19 THR HG22 H 1 1.41 0.01 . 1 . . . . . . . . 4957 1 220 . 1 1 19 19 THR HG23 H 1 1.41 0.01 . 1 . . . . . . . . 4957 1 221 . 1 1 19 19 THR C C 13 177.6 0.15 . 1 . . . . . . . . 4957 1 222 . 1 1 19 19 THR CA C 13 65.4 0.15 . 1 . . . . . . . . 4957 1 223 . 1 1 19 19 THR CB C 13 68.9 0.15 . 1 . . . . . . . . 4957 1 224 . 1 1 19 19 THR CG2 C 13 24.8 0.15 . 1 . . . . . . . . 4957 1 225 . 1 1 19 19 THR N N 15 111.07 0.20 . 1 . . . . . . . . 4957 1 226 . 1 1 20 20 ALA H H 1 9.03 0.01 . 1 . . . . . . . . 4957 1 227 . 1 1 20 20 ALA HA H 1 3.99 0.01 . 1 . . . . . . . . 4957 1 228 . 1 1 20 20 ALA HB1 H 1 1.31 0.01 . 1 . . . . . . . . 4957 1 229 . 1 1 20 20 ALA HB2 H 1 1.31 0.01 . 1 . . . . . . . . 4957 1 230 . 1 1 20 20 ALA HB3 H 1 1.31 0.01 . 1 . . . . . . . . 4957 1 231 . 1 1 20 20 ALA C C 13 178.0 0.15 . 1 . . . . . . . . 4957 1 232 . 1 1 20 20 ALA CA C 13 55.6 0.15 . 1 . . . . . . . . 4957 1 233 . 1 1 20 20 ALA CB C 13 20.0 0.15 . 1 . . . . . . . . 4957 1 234 . 1 1 20 20 ALA N N 15 122.1 0.20 . 1 . . . . . . . . 4957 1 235 . 1 1 21 21 THR H H 1 7.21 0.01 . 1 . . . . . . . . 4957 1 236 . 1 1 21 21 THR HA H 1 3.83 0.01 . 1 . . . . . . . . 4957 1 237 . 1 1 21 21 THR HB H 1 4.26 0.01 . 1 . . . . . . . . 4957 1 238 . 1 1 21 21 THR HG21 H 1 1.13 0.01 . 1 . . . . . . . . 4957 1 239 . 1 1 21 21 THR HG22 H 1 1.13 0.01 . 1 . . . . . . . . 4957 1 240 . 1 1 21 21 THR HG23 H 1 1.13 0.01 . 1 . . . . . . . . 4957 1 241 . 1 1 21 21 THR C C 13 176.0 0.15 . 1 . . . . . . . . 4957 1 242 . 1 1 21 21 THR CA C 13 67.1 0.15 . 1 . . . . . . . . 4957 1 243 . 1 1 21 21 THR CB C 13 69.0 0.15 . 1 . . . . . . . . 4957 1 244 . 1 1 21 21 THR CG2 C 13 21.4 0.15 . 1 . . . . . . . . 4957 1 245 . 1 1 21 21 THR N N 15 113.4 0.20 . 1 . . . . . . . . 4957 1 246 . 1 1 22 22 ILE H H 1 7.34 0.01 . 1 . . . . . . . . 4957 1 247 . 1 1 22 22 ILE HA H 1 3.53 0.01 . 1 . . . . . . . . 4957 1 248 . 1 1 22 22 ILE HB H 1 1.56 0.01 . 1 . . . . . . . . 4957 1 249 . 1 1 22 22 ILE HG12 H 1 1.25 0.01 . 2 . . . . . . . . 4957 1 250 . 1 1 22 22 ILE HG13 H 1 0.73 0.01 . 2 . . . . . . . . 4957 1 251 . 1 1 22 22 ILE HG21 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 252 . 1 1 22 22 ILE HG22 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 253 . 1 1 22 22 ILE HG23 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 254 . 1 1 22 22 ILE HD11 H 1 0.53 0.01 . 1 . . . . . . . . 4957 1 255 . 1 1 22 22 ILE HD12 H 1 0.53 0.01 . 1 . . . . . . . . 4957 1 256 . 1 1 22 22 ILE HD13 H 1 0.53 0.01 . 1 . . . . . . . . 4957 1 257 . 1 1 22 22 ILE C C 13 176.7 0.15 . 1 . . . . . . . . 4957 1 258 . 1 1 22 22 ILE CA C 13 64.2 0.15 . 1 . . . . . . . . 4957 1 259 . 1 1 22 22 ILE CB C 13 37.5 0.15 . 1 . . . . . . . . 4957 1 260 . 1 1 22 22 ILE CG1 C 13 28.8 0.15 . 1 . . . . . . . . 4957 1 261 . 1 1 22 22 ILE CG2 C 13 18.3 0.15 . 1 . . . . . . . . 4957 1 262 . 1 1 22 22 ILE CD1 C 13 13.8 0.15 . 1 . . . . . . . . 4957 1 263 . 1 1 22 22 ILE N N 15 121.8 0.20 . 1 . . . . . . . . 4957 1 264 . 1 1 23 23 LEU H H 1 8.13 0.01 . 1 . . . . . . . . 4957 1 265 . 1 1 23 23 LEU HA H 1 3.77 0.01 . 1 . . . . . . . . 4957 1 266 . 1 1 23 23 LEU HB2 H 1 1.58 0.01 . 2 . . . . . . . . 4957 1 267 . 1 1 23 23 LEU HB3 H 1 2.06 0.01 . 2 . . . . . . . . 4957 1 268 . 1 1 23 23 LEU HG H 1 0.76 0.01 . 1 . . . . . . . . 4957 1 269 . 1 1 23 23 LEU HD11 H 1 0.84 0.01 . 1 . . . . . . . . 4957 1 270 . 1 1 23 23 LEU HD12 H 1 0.84 0.01 . 1 . . . . . . . . 4957 1 271 . 1 1 23 23 LEU HD13 H 1 0.84 0.01 . 1 . . . . . . . . 4957 1 272 . 1 1 23 23 LEU HD21 H 1 0.84 0.01 . 1 . . . . . . . . 4957 1 273 . 1 1 23 23 LEU HD22 H 1 0.84 0.01 . 1 . . . . . . . . 4957 1 274 . 1 1 23 23 LEU HD23 H 1 0.84 0.01 . 1 . . . . . . . . 4957 1 275 . 1 1 23 23 LEU C C 13 177.8 0.15 . 1 . . . . . . . . 4957 1 276 . 1 1 23 23 LEU CA C 13 58.6 0.15 . 1 . . . . . . . . 4957 1 277 . 1 1 23 23 LEU CB C 13 41.8 0.15 . 1 . . . . . . . . 4957 1 278 . 1 1 23 23 LEU CG C 13 26.5 0.15 . 1 . . . . . . . . 4957 1 279 . 1 1 23 23 LEU CD1 C 13 24.9 0.15 . 1 . . . . . . . . 4957 1 280 . 1 1 23 23 LEU CD2 C 13 24.9 0.15 . 1 . . . . . . . . 4957 1 281 . 1 1 23 23 LEU N N 15 121.8 0.20 . 1 . . . . . . . . 4957 1 282 . 1 1 24 24 ILE H H 1 7.66 0.01 . 1 . . . . . . . . 4957 1 283 . 1 1 24 24 ILE HA H 1 3.59 0.01 . 1 . . . . . . . . 4957 1 284 . 1 1 24 24 ILE HB H 1 2.01 0.01 . 1 . . . . . . . . 4957 1 285 . 1 1 24 24 ILE HG12 H 1 1.70 0.01 . 2 . . . . . . . . 4957 1 286 . 1 1 24 24 ILE HG13 H 1 1.10 0.01 . 2 . . . . . . . . 4957 1 287 . 1 1 24 24 ILE HG21 H 1 0.93 0.01 . 1 . . . . . . . . 4957 1 288 . 1 1 24 24 ILE HG22 H 1 0.93 0.01 . 1 . . . . . . . . 4957 1 289 . 1 1 24 24 ILE HG23 H 1 0.93 0.01 . 1 . . . . . . . . 4957 1 290 . 1 1 24 24 ILE HD11 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 291 . 1 1 24 24 ILE HD12 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 292 . 1 1 24 24 ILE HD13 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 293 . 1 1 24 24 ILE C C 13 177.4 0.15 . 1 . . . . . . . . 4957 1 294 . 1 1 24 24 ILE CA C 13 64.8 0.15 . 1 . . . . . . . . 4957 1 295 . 1 1 24 24 ILE CB C 13 37.7 0.15 . 1 . . . . . . . . 4957 1 296 . 1 1 24 24 ILE CG1 C 13 29.0 0.15 . 1 . . . . . . . . 4957 1 297 . 1 1 24 24 ILE CG2 C 13 17.9 0.15 . 1 . . . . . . . . 4957 1 298 . 1 1 24 24 ILE CD1 C 13 13.6 0.15 . 1 . . . . . . . . 4957 1 299 . 1 1 24 24 ILE N N 15 117.9 0.20 . 1 . . . . . . . . 4957 1 300 . 1 1 25 25 THR H H 1 7.45 0.01 . 1 . . . . . . . . 4957 1 301 . 1 1 25 25 THR HA H 1 3.83 0.01 . 1 . . . . . . . . 4957 1 302 . 1 1 25 25 THR HB H 1 4.60 0.01 . 1 . . . . . . . . 4957 1 303 . 1 1 25 25 THR HG21 H 1 1.27 0.01 . 1 . . . . . . . . 4957 1 304 . 1 1 25 25 THR HG22 H 1 1.27 0.01 . 1 . . . . . . . . 4957 1 305 . 1 1 25 25 THR HG23 H 1 1.27 0.01 . 1 . . . . . . . . 4957 1 306 . 1 1 25 25 THR C C 13 176.0 0.15 . 1 . . . . . . . . 4957 1 307 . 1 1 25 25 THR CA C 13 67.1 0.15 . 1 . . . . . . . . 4957 1 308 . 1 1 25 25 THR CB C 13 67.6 0.15 . 1 . . . . . . . . 4957 1 309 . 1 1 25 25 THR CG2 C 13 23.9 0.15 . 1 . . . . . . . . 4957 1 310 . 1 1 25 25 THR N N 15 119.1 0.20 . 1 . . . . . . . . 4957 1 311 . 1 1 26 26 ILE H H 1 7.86 0.01 . 1 . . . . . . . . 4957 1 312 . 1 1 26 26 ILE HA H 1 3.77 0.01 . 1 . . . . . . . . 4957 1 313 . 1 1 26 26 ILE HB H 1 1.63 0.01 . 1 . . . . . . . . 4957 1 314 . 1 1 26 26 ILE HG12 H 1 1.83 0.01 . 2 . . . . . . . . 4957 1 315 . 1 1 26 26 ILE HG13 H 1 0.71 0.01 . 2 . . . . . . . . 4957 1 316 . 1 1 26 26 ILE HG21 H 1 0.71 0.01 . 1 . . . . . . . . 4957 1 317 . 1 1 26 26 ILE HG22 H 1 0.71 0.01 . 1 . . . . . . . . 4957 1 318 . 1 1 26 26 ILE HG23 H 1 0.71 0.01 . 1 . . . . . . . . 4957 1 319 . 1 1 26 26 ILE HD11 H 1 0.67 0.01 . 1 . . . . . . . . 4957 1 320 . 1 1 26 26 ILE HD12 H 1 0.67 0.01 . 1 . . . . . . . . 4957 1 321 . 1 1 26 26 ILE HD13 H 1 0.67 0.01 . 1 . . . . . . . . 4957 1 322 . 1 1 26 26 ILE C C 13 177.6 0.15 . 1 . . . . . . . . 4957 1 323 . 1 1 26 26 ILE CA C 13 64.8 0.15 . 1 . . . . . . . . 4957 1 324 . 1 1 26 26 ILE CB C 13 38.5 0.15 . 1 . . . . . . . . 4957 1 325 . 1 1 26 26 ILE CG1 C 13 29.4 0.15 . 1 . . . . . . . . 4957 1 326 . 1 1 26 26 ILE CG2 C 13 17.0 0.15 . 1 . . . . . . . . 4957 1 327 . 1 1 26 26 ILE CD1 C 13 16.1 0.15 . 1 . . . . . . . . 4957 1 328 . 1 1 26 26 ILE N N 15 122.0 0.20 . 1 . . . . . . . . 4957 1 329 . 1 1 27 27 ALA H H 1 8.66 0.01 . 1 . . . . . . . . 4957 1 330 . 1 1 27 27 ALA HA H 1 4.04 0.01 . 1 . . . . . . . . 4957 1 331 . 1 1 27 27 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 4957 1 332 . 1 1 27 27 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 4957 1 333 . 1 1 27 27 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 4957 1 334 . 1 1 27 27 ALA C C 13 178.8 0.15 . 1 . . . . . . . . 4957 1 335 . 1 1 27 27 ALA CA C 13 54.1 0.15 . 1 . . . . . . . . 4957 1 336 . 1 1 27 27 ALA CB C 13 19.3 0.15 . 1 . . . . . . . . 4957 1 337 . 1 1 27 27 ALA N N 15 122.3 0.20 . 1 . . . . . . . . 4957 1 338 . 1 1 28 28 LYS H H 1 7.39 0.01 . 1 . . . . . . . . 4957 1 339 . 1 1 28 28 LYS HA H 1 4.10 0.01 . 1 . . . . . . . . 4957 1 340 . 1 1 28 28 LYS HB2 H 1 1.71 0.01 . 2 . . . . . . . . 4957 1 341 . 1 1 28 28 LYS HB3 H 1 1.93 0.01 . 2 . . . . . . . . 4957 1 342 . 1 1 28 28 LYS HG2 H 1 1.51 0.01 . 1 . . . . . . . . 4957 1 343 . 1 1 28 28 LYS HG3 H 1 1.51 0.01 . 1 . . . . . . . . 4957 1 344 . 1 1 28 28 LYS HD2 H 1 1.68 0.01 . 1 . . . . . . . . 4957 1 345 . 1 1 28 28 LYS HD3 H 1 1.68 0.01 . 1 . . . . . . . . 4957 1 346 . 1 1 28 28 LYS HE2 H 1 2.96 0.01 . 1 . . . . . . . . 4957 1 347 . 1 1 28 28 LYS HE3 H 1 2.96 0.01 . 1 . . . . . . . . 4957 1 348 . 1 1 28 28 LYS C C 13 176.3 0.15 . 1 . . . . . . . . 4957 1 349 . 1 1 28 28 LYS CA C 13 57.7 0.15 . 1 . . . . . . . . 4957 1 350 . 1 1 28 28 LYS CB C 13 33.5 0.15 . 1 . . . . . . . . 4957 1 351 . 1 1 28 28 LYS CG C 13 25.7 0.15 . 1 . . . . . . . . 4957 1 352 . 1 1 28 28 LYS CD C 13 29.5 0.15 . 1 . . . . . . . . 4957 1 353 . 1 1 28 28 LYS CE C 13 42.1 0.15 . 1 . . . . . . . . 4957 1 354 . 1 1 28 28 LYS N N 15 116.0 0.20 . 1 . . . . . . . . 4957 1 355 . 1 1 29 29 LYS H H 1 7.48 0.01 . 1 . . . . . . . . 4957 1 356 . 1 1 29 29 LYS HA H 1 4.43 0.01 . 1 . . . . . . . . 4957 1 357 . 1 1 29 29 LYS HB2 H 1 1.86 0.01 . 1 . . . . . . . . 4957 1 358 . 1 1 29 29 LYS HB3 H 1 1.58 0.01 . 1 . . . . . . . . 4957 1 359 . 1 1 29 29 LYS HG2 H 1 1.36 0.01 . 2 . . . . . . . . 4957 1 360 . 1 1 29 29 LYS HG3 H 1 1.24 0.01 . 2 . . . . . . . . 4957 1 361 . 1 1 29 29 LYS HD2 H 1 1.69 0.01 . 2 . . . . . . . . 4957 1 362 . 1 1 29 29 LYS HD3 H 1 1.58 0.01 . 2 . . . . . . . . 4957 1 363 . 1 1 29 29 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 4957 1 364 . 1 1 29 29 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 4957 1 365 . 1 1 29 29 LYS C C 13 172.3 0.15 . 1 . . . . . . . . 4957 1 366 . 1 1 29 29 LYS CA C 13 55.5 0.15 . 1 . . . . . . . . 4957 1 367 . 1 1 29 29 LYS CB C 13 34.8 0.15 . 1 . . . . . . . . 4957 1 368 . 1 1 29 29 LYS CG C 13 25.3 0.15 . 1 . . . . . . . . 4957 1 369 . 1 1 29 29 LYS CD C 13 29.6 0.15 . 1 . . . . . . . . 4957 1 370 . 1 1 29 29 LYS CE C 13 42.6 0.15 . 1 . . . . . . . . 4957 1 371 . 1 1 29 29 LYS N N 15 122.7 0.20 . 1 . . . . . . . . 4957 1 372 . 1 1 30 30 ASP H H 1 8.19 0.01 . 1 . . . . . . . . 4957 1 373 . 1 1 30 30 ASP HA H 1 4.39 0.01 . 1 . . . . . . . . 4957 1 374 . 1 1 30 30 ASP HB2 H 1 2.08 0.01 . 2 . . . . . . . . 4957 1 375 . 1 1 30 30 ASP HB3 H 1 2.42 0.01 . 2 . . . . . . . . 4957 1 376 . 1 1 30 30 ASP C C 13 177.3 0.15 . 1 . . . . . . . . 4957 1 377 . 1 1 30 30 ASP CA C 13 56.3 0.15 . 1 . . . . . . . . 4957 1 378 . 1 1 30 30 ASP CB C 13 40.8 0.15 . 1 . . . . . . . . 4957 1 379 . 1 1 30 30 ASP N N 15 125.6 0.20 . 1 . . . . . . . . 4957 1 380 . 1 1 31 31 PHE H H 1 8.10 0.01 . 1 . . . . . . . . 4957 1 381 . 1 1 31 31 PHE HA H 1 4.03 0.01 . 1 . . . . . . . . 4957 1 382 . 1 1 31 31 PHE HB2 H 1 3.37 0.01 . 2 . . . . . . . . 4957 1 383 . 1 1 31 31 PHE HB3 H 1 3.28 0.01 . 2 . . . . . . . . 4957 1 384 . 1 1 31 31 PHE HD1 H 1 7.08 0.01 . 1 . . . . . . . . 4957 1 385 . 1 1 31 31 PHE HD2 H 1 7.08 0.01 . 1 . . . . . . . . 4957 1 386 . 1 1 31 31 PHE HE1 H 1 7.39 0.01 . 1 . . . . . . . . 4957 1 387 . 1 1 31 31 PHE HE2 H 1 7.39 0.01 . 1 . . . . . . . . 4957 1 388 . 1 1 31 31 PHE HZ H 1 7.31 0.01 . 1 . . . . . . . . 4957 1 389 . 1 1 31 31 PHE C C 13 174.5 0.15 . 1 . . . . . . . . 4957 1 390 . 1 1 31 31 PHE CA C 13 60.3 0.15 . 1 . . . . . . . . 4957 1 391 . 1 1 31 31 PHE CB C 13 36.5 0.15 . 1 . . . . . . . . 4957 1 392 . 1 1 31 31 PHE CD1 C 13 131.4 0.15 . 1 . . . . . . . . 4957 1 393 . 1 1 31 31 PHE CD2 C 13 131.4 0.15 . 1 . . . . . . . . 4957 1 394 . 1 1 31 31 PHE CE1 C 13 131.8 0.15 . 1 . . . . . . . . 4957 1 395 . 1 1 31 31 PHE CE2 C 13 131.8 0.15 . 1 . . . . . . . . 4957 1 396 . 1 1 31 31 PHE CZ C 13 129.7 0.15 . 1 . . . . . . . . 4957 1 397 . 1 1 31 31 PHE N N 15 116.6 0.20 . 1 . . . . . . . . 4957 1 398 . 1 1 32 32 ILE H H 1 7.99 0.01 . 1 . . . . . . . . 4957 1 399 . 1 1 32 32 ILE HA H 1 4.25 0.01 . 1 . . . . . . . . 4957 1 400 . 1 1 32 32 ILE HB H 1 2.24 0.01 . 1 . . . . . . . . 4957 1 401 . 1 1 32 32 ILE HG12 H 1 1.72 0.01 . 1 . . . . . . . . 4957 1 402 . 1 1 32 32 ILE HG13 H 1 1.72 0.01 . 1 . . . . . . . . 4957 1 403 . 1 1 32 32 ILE HG21 H 1 0.95 0.01 . 1 . . . . . . . . 4957 1 404 . 1 1 32 32 ILE HG22 H 1 0.95 0.01 . 1 . . . . . . . . 4957 1 405 . 1 1 32 32 ILE HG23 H 1 0.95 0.01 . 1 . . . . . . . . 4957 1 406 . 1 1 32 32 ILE HD11 H 1 0.76 0.01 . 1 . . . . . . . . 4957 1 407 . 1 1 32 32 ILE HD12 H 1 0.76 0.01 . 1 . . . . . . . . 4957 1 408 . 1 1 32 32 ILE HD13 H 1 0.76 0.01 . 1 . . . . . . . . 4957 1 409 . 1 1 32 32 ILE C C 13 172.8 0.15 . 1 . . . . . . . . 4957 1 410 . 1 1 32 32 ILE CA C 13 61.9 0.15 . 1 . . . . . . . . 4957 1 411 . 1 1 32 32 ILE CB C 13 38.6 0.15 . 1 . . . . . . . . 4957 1 412 . 1 1 32 32 ILE CG1 C 13 29.9 0.15 . 1 . . . . . . . . 4957 1 413 . 1 1 32 32 ILE CG2 C 13 17.5 0.15 . 1 . . . . . . . . 4957 1 414 . 1 1 32 32 ILE CD1 C 13 14.4 0.15 . 1 . . . . . . . . 4957 1 415 . 1 1 32 32 ILE N N 15 124.4 0.20 . 1 . . . . . . . . 4957 1 416 . 1 1 33 33 THR H H 1 8.35 0.01 . 1 . . . . . . . . 4957 1 417 . 1 1 33 33 THR HA H 1 4.89 0.01 . 1 . . . . . . . . 4957 1 418 . 1 1 33 33 THR HB H 1 4.73 0.01 . 1 . . . . . . . . 4957 1 419 . 1 1 33 33 THR HG21 H 1 1.36 0.01 . 1 . . . . . . . . 4957 1 420 . 1 1 33 33 THR HG22 H 1 1.36 0.01 . 1 . . . . . . . . 4957 1 421 . 1 1 33 33 THR HG23 H 1 1.36 0.01 . 1 . . . . . . . . 4957 1 422 . 1 1 33 33 THR C C 13 176.2 0.15 . 1 . . . . . . . . 4957 1 423 . 1 1 33 33 THR CA C 13 60.6 0.15 . 1 . . . . . . . . 4957 1 424 . 1 1 33 33 THR CB C 13 72.0 0.15 . 1 . . . . . . . . 4957 1 425 . 1 1 33 33 THR CG2 C 13 22.0 0.15 . 1 . . . . . . . . 4957 1 426 . 1 1 33 33 THR N N 15 116.8 0.20 . 1 . . . . . . . . 4957 1 427 . 1 1 34 34 ALA H H 1 9.26 0.01 . 1 . . . . . . . . 4957 1 428 . 1 1 34 34 ALA HA H 1 3.80 0.01 . 1 . . . . . . . . 4957 1 429 . 1 1 34 34 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 4957 1 430 . 1 1 34 34 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 4957 1 431 . 1 1 34 34 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 4957 1 432 . 1 1 34 34 ALA C C 13 179.3 0.15 . 1 . . . . . . . . 4957 1 433 . 1 1 34 34 ALA CA C 13 56.0 0.15 . 1 . . . . . . . . 4957 1 434 . 1 1 34 34 ALA CB C 13 18.0 0.15 . 1 . . . . . . . . 4957 1 435 . 1 1 34 34 ALA N N 15 124.9 0.20 . 1 . . . . . . . . 4957 1 436 . 1 1 35 35 ALA H H 1 8.28 0.01 . 1 . . . . . . . . 4957 1 437 . 1 1 35 35 ALA HA H 1 3.94 0.01 . 1 . . . . . . . . 4957 1 438 . 1 1 35 35 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 4957 1 439 . 1 1 35 35 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 4957 1 440 . 1 1 35 35 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 4957 1 441 . 1 1 35 35 ALA C C 13 180.3 0.15 . 1 . . . . . . . . 4957 1 442 . 1 1 35 35 ALA CA C 13 55.6 0.15 . 1 . . . . . . . . 4957 1 443 . 1 1 35 35 ALA CB C 13 18.4 0.15 . 1 . . . . . . . . 4957 1 444 . 1 1 35 35 ALA N N 15 119.3 0.20 . 1 . . . . . . . . 4957 1 445 . 1 1 36 36 GLU H H 1 7.68 0.01 . 1 . . . . . . . . 4957 1 446 . 1 1 36 36 GLU HA H 1 4.02 0.01 . 1 . . . . . . . . 4957 1 447 . 1 1 36 36 GLU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 4957 1 448 . 1 1 36 36 GLU HB3 H 1 2.37 0.01 . 2 . . . . . . . . 4957 1 449 . 1 1 36 36 GLU HG2 H 1 2.31 0.01 . 2 . . . . . . . . 4957 1 450 . 1 1 36 36 GLU HG3 H 1 2.23 0.01 . 2 . . . . . . . . 4957 1 451 . 1 1 36 36 GLU C C 13 179.0 0.15 . 1 . . . . . . . . 4957 1 452 . 1 1 36 36 GLU CA C 13 59.4 0.15 . 1 . . . . . . . . 4957 1 453 . 1 1 36 36 GLU CB C 13 29.9 0.15 . 1 . . . . . . . . 4957 1 454 . 1 1 36 36 GLU CG C 13 37.9 0.15 . 1 . . . . . . . . 4957 1 455 . 1 1 36 36 GLU N N 15 120.5 0.20 . 1 . . . . . . . . 4957 1 456 . 1 1 37 37 VAL H H 1 8.04 0.01 . 1 . . . . . . . . 4957 1 457 . 1 1 37 37 VAL HA H 1 3.50 0.01 . 1 . . . . . . . . 4957 1 458 . 1 1 37 37 VAL HB H 1 2.27 0.01 . 1 . . . . . . . . 4957 1 459 . 1 1 37 37 VAL HG11 H 1 0.98 0.01 . 1 . . . . . . . . 4957 1 460 . 1 1 37 37 VAL HG12 H 1 0.98 0.01 . 1 . . . . . . . . 4957 1 461 . 1 1 37 37 VAL HG13 H 1 0.98 0.01 . 1 . . . . . . . . 4957 1 462 . 1 1 37 37 VAL HG21 H 1 0.98 0.01 . 1 . . . . . . . . 4957 1 463 . 1 1 37 37 VAL HG22 H 1 0.98 0.01 . 1 . . . . . . . . 4957 1 464 . 1 1 37 37 VAL HG23 H 1 0.98 0.01 . 1 . . . . . . . . 4957 1 465 . 1 1 37 37 VAL C C 13 178.1 0.15 . 1 . . . . . . . . 4957 1 466 . 1 1 37 37 VAL CA C 13 67.1 0.15 . 1 . . . . . . . . 4957 1 467 . 1 1 37 37 VAL CB C 13 31.1 0.15 . 1 . . . . . . . . 4957 1 468 . 1 1 37 37 VAL CG1 C 13 23.7 0.15 . 1 . . . . . . . . 4957 1 469 . 1 1 37 37 VAL CG2 C 13 23.4 0.15 . 1 . . . . . . . . 4957 1 470 . 1 1 37 37 VAL N N 15 120.9 0.20 . 1 . . . . . . . . 4957 1 471 . 1 1 38 38 ARG H H 1 8.27 0.01 . 1 . . . . . . . . 4957 1 472 . 1 1 38 38 ARG HA H 1 3.86 0.01 . 1 . . . . . . . . 4957 1 473 . 1 1 38 38 ARG HB2 H 1 1.86 0.01 . 2 . . . . . . . . 4957 1 474 . 1 1 38 38 ARG HB3 H 1 2.01 0.01 . 2 . . . . . . . . 4957 1 475 . 1 1 38 38 ARG HG2 H 1 2.07 0.01 . 2 . . . . . . . . 4957 1 476 . 1 1 38 38 ARG HG3 H 1 1.30 0.01 . 2 . . . . . . . . 4957 1 477 . 1 1 38 38 ARG HD2 H 1 3.42 0.01 . 2 . . . . . . . . 4957 1 478 . 1 1 38 38 ARG HD3 H 1 3.05 0.01 . 2 . . . . . . . . 4957 1 479 . 1 1 38 38 ARG C C 13 179.1 0.15 . 1 . . . . . . . . 4957 1 480 . 1 1 38 38 ARG CA C 13 60.9 0.15 . 1 . . . . . . . . 4957 1 481 . 1 1 38 38 ARG CB C 13 30.6 0.15 . 1 . . . . . . . . 4957 1 482 . 1 1 38 38 ARG CG C 13 29.1 0.15 . 1 . . . . . . . . 4957 1 483 . 1 1 38 38 ARG CD C 13 43.8 0.15 . 1 . . . . . . . . 4957 1 484 . 1 1 38 38 ARG N N 15 117.7 0.20 . 1 . . . . . . . . 4957 1 485 . 1 1 39 39 GLU H H 1 7.61 0.01 . 1 . . . . . . . . 4957 1 486 . 1 1 39 39 GLU HA H 1 4.02 0.01 . 1 . . . . . . . . 4957 1 487 . 1 1 39 39 GLU HB2 H 1 2.17 0.01 . 1 . . . . . . . . 4957 1 488 . 1 1 39 39 GLU HB3 H 1 2.17 0.01 . 1 . . . . . . . . 4957 1 489 . 1 1 39 39 GLU HG2 H 1 2.43 0.01 . 2 . . . . . . . . 4957 1 490 . 1 1 39 39 GLU C C 13 178.2 0.15 . 1 . . . . . . . . 4957 1 491 . 1 1 39 39 GLU CA C 13 58.8 0.15 . 1 . . . . . . . . 4957 1 492 . 1 1 39 39 GLU CB C 13 29.8 0.15 . 1 . . . . . . . . 4957 1 493 . 1 1 39 39 GLU CG C 13 36.4 0.15 . 1 . . . . . . . . 4957 1 494 . 1 1 39 39 GLU N N 15 118.6 0.20 . 1 . . . . . . . . 4957 1 495 . 1 1 40 40 VAL H H 1 7.51 0.01 . 1 . . . . . . . . 4957 1 496 . 1 1 40 40 VAL HA H 1 3.94 0.01 . 1 . . . . . . . . 4957 1 497 . 1 1 40 40 VAL HB H 1 2.11 0.01 . 1 . . . . . . . . 4957 1 498 . 1 1 40 40 VAL HG11 H 1 0.97 0.01 . 2 . . . . . . . . 4957 1 499 . 1 1 40 40 VAL HG12 H 1 0.97 0.01 . 2 . . . . . . . . 4957 1 500 . 1 1 40 40 VAL HG13 H 1 0.97 0.01 . 2 . . . . . . . . 4957 1 501 . 1 1 40 40 VAL HG21 H 1 0.63 0.01 . 2 . . . . . . . . 4957 1 502 . 1 1 40 40 VAL HG22 H 1 0.63 0.01 . 2 . . . . . . . . 4957 1 503 . 1 1 40 40 VAL HG23 H 1 0.63 0.01 . 2 . . . . . . . . 4957 1 504 . 1 1 40 40 VAL C C 13 175.1 0.15 . 1 . . . . . . . . 4957 1 505 . 1 1 40 40 VAL CA C 13 63.4 0.15 . 1 . . . . . . . . 4957 1 506 . 1 1 40 40 VAL CB C 13 32.0 0.15 . 1 . . . . . . . . 4957 1 507 . 1 1 40 40 VAL CG1 C 13 21.7 0.15 . 1 . . . . . . . . 4957 1 508 . 1 1 40 40 VAL CG2 C 13 21.7 0.15 . 1 . . . . . . . . 4957 1 509 . 1 1 40 40 VAL N N 15 116.5 0.20 . 1 . . . . . . . . 4957 1 510 . 1 1 41 41 HIS H H 1 7.13 0.01 . 1 . . . . . . . . 4957 1 511 . 1 1 41 41 HIS HA H 1 3.90 0.01 . 1 . . . . . . . . 4957 1 512 . 1 1 41 41 HIS HB2 H 1 3.13 0.01 . 2 . . . . . . . . 4957 1 513 . 1 1 41 41 HIS HB3 H 1 2.80 0.01 . 2 . . . . . . . . 4957 1 514 . 1 1 41 41 HIS HD2 H 1 7.04 0.01 . 1 . . . . . . . . 4957 1 515 . 1 1 41 41 HIS HE1 H 1 7.66 0.01 . 1 . . . . . . . . 4957 1 516 . 1 1 41 41 HIS C C 13 180.8 0.15 . 1 . . . . . . . . 4957 1 517 . 1 1 41 41 HIS CA C 13 54.03 0.15 . 1 . . . . . . . . 4957 1 518 . 1 1 41 41 HIS CB C 13 29.80 0.15 . 1 . . . . . . . . 4957 1 519 . 1 1 41 41 HIS N N 15 118.7 0.20 . 1 . . . . . . . . 4957 1 520 . 1 1 42 42 PRO HA H 1 4.56 0.01 . 1 . . . . . . . . 4957 1 521 . 1 1 42 42 PRO HB2 H 1 1.99 0.01 . 2 . . . . . . . . 4957 1 522 . 1 1 42 42 PRO HB3 H 1 2.26 0.01 . 2 . . . . . . . . 4957 1 523 . 1 1 42 42 PRO HG2 H 1 2.06 0.01 . 2 . . . . . . . . 4957 1 524 . 1 1 42 42 PRO HG3 H 1 1.99 0.01 . 2 . . . . . . . . 4957 1 525 . 1 1 42 42 PRO HD2 H 1 3.62 0.01 . 2 . . . . . . . . 4957 1 526 . 1 1 42 42 PRO HD3 H 1 3.47 0.01 . 2 . . . . . . . . 4957 1 527 . 1 1 42 42 PRO C C 13 177.6 0.15 . 1 . . . . . . . . 4957 1 528 . 1 1 42 42 PRO CA C 13 65.2 0.15 . 1 . . . . . . . . 4957 1 529 . 1 1 42 42 PRO CB C 13 31.5 0.15 . 1 . . . . . . . . 4957 1 530 . 1 1 42 42 PRO CG C 13 27.1 0.15 . 1 . . . . . . . . 4957 1 531 . 1 1 42 42 PRO CD C 13 50.7 0.15 . 1 . . . . . . . . 4957 1 532 . 1 1 43 43 ASP H H 1 9.14 0.01 . 1 . . . . . . . . 4957 1 533 . 1 1 43 43 ASP HA H 1 4.34 0.01 . 1 . . . . . . . . 4957 1 534 . 1 1 43 43 ASP HB2 H 1 2.72 0.01 . 1 . . . . . . . . 4957 1 535 . 1 1 43 43 ASP HB3 H 1 2.63 0.01 . 1 . . . . . . . . 4957 1 536 . 1 1 43 43 ASP C C 13 177.1 0.01 . 1 . . . . . . . . 4957 1 537 . 1 1 43 43 ASP CA C 13 55.0 0.01 . 1 . . . . . . . . 4957 1 538 . 1 1 43 43 ASP CB C 13 39.3 0.01 . 1 . . . . . . . . 4957 1 539 . 1 1 43 43 ASP N N 15 117.8 0.20 . 1 . . . . . . . . 4957 1 540 . 1 1 44 44 LEU H H 1 7.34 0.01 . 1 . . . . . . . . 4957 1 541 . 1 1 44 44 LEU HA H 1 4.38 0.01 . 1 . . . . . . . . 4957 1 542 . 1 1 44 44 LEU HB2 H 1 1.28 0.01 . 1 . . . . . . . . 4957 1 543 . 1 1 44 44 LEU HB3 H 1 1.96 0.01 . 1 . . . . . . . . 4957 1 544 . 1 1 44 44 LEU HG H 1 1.77 0.01 . 1 . . . . . . . . 4957 1 545 . 1 1 44 44 LEU HD11 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 546 . 1 1 44 44 LEU HD12 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 547 . 1 1 44 44 LEU HD13 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 548 . 1 1 44 44 LEU HD21 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 549 . 1 1 44 44 LEU HD22 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 550 . 1 1 44 44 LEU HD23 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 551 . 1 1 44 44 LEU C C 13 178.1 0.15 . 1 . . . . . . . . 4957 1 552 . 1 1 44 44 LEU CA C 13 56.0 0.15 . 1 . . . . . . . . 4957 1 553 . 1 1 44 44 LEU CB C 13 42.9 0.15 . 1 . . . . . . . . 4957 1 554 . 1 1 44 44 LEU CG C 13 27.0 0.15 . 1 . . . . . . . . 4957 1 555 . 1 1 44 44 LEU CD1 C 13 22.9 0.15 . 1 . . . . . . . . 4957 1 556 . 1 1 44 44 LEU CD2 C 13 25.2 0.15 . 1 . . . . . . . . 4957 1 557 . 1 1 44 44 LEU N N 15 120.5 0.20 . 1 . . . . . . . . 4957 1 558 . 1 1 45 45 GLY H H 1 7.43 0.01 . 1 . . . . . . . . 4957 1 559 . 1 1 45 45 GLY HA2 H 1 4.41 0.01 . 2 . . . . . . . . 4957 1 560 . 1 1 45 45 GLY HA3 H 1 3.85 0.01 . 2 . . . . . . . . 4957 1 561 . 1 1 45 45 GLY C C 13 174.1 0.15 . 1 . . . . . . . . 4957 1 562 . 1 1 45 45 GLY CA C 13 44.6 0.15 . 1 . . . . . . . . 4957 1 563 . 1 1 45 45 GLY N N 15 107.2 0.20 . 1 . . . . . . . . 4957 1 564 . 1 1 46 46 ASN H H 1 8.66 0.01 . 1 . . . . . . . . 4957 1 565 . 1 1 46 46 ASN HA H 1 4.02 0.01 . 1 . . . . . . . . 4957 1 566 . 1 1 46 46 ASN HB2 H 1 2.71 0.01 . 1 . . . . . . . . 4957 1 567 . 1 1 46 46 ASN HB3 H 1 2.86 0.01 . 1 . . . . . . . . 4957 1 568 . 1 1 46 46 ASN HD21 H 1 7.04 0.01 . 9 . . . . . . . . 4957 1 569 . 1 1 46 46 ASN HD22 H 1 7.70 0.01 . 9 . . . . . . . . 4957 1 570 . 1 1 46 46 ASN C C 13 176.4 0.15 . 1 . . . . . . . . 4957 1 571 . 1 1 46 46 ASN CA C 13 57.2 0.15 . 1 . . . . . . . . 4957 1 572 . 1 1 46 46 ASN CB C 13 38.4 0.15 . 1 . . . . . . . . 4957 1 573 . 1 1 46 46 ASN N N 15 120.84 0.20 . 1 . . . . . . . . 4957 1 574 . 1 1 47 47 ALA H H 1 8.53 0.01 . 1 . . . . . . . . 4957 1 575 . 1 1 47 47 ALA HA H 1 4.17 0.01 . 1 . . . . . . . . 4957 1 576 . 1 1 47 47 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 4957 1 577 . 1 1 47 47 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 4957 1 578 . 1 1 47 47 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 4957 1 579 . 1 1 47 47 ALA C C 13 180.9 0.15 . 1 . . . . . . . . 4957 1 580 . 1 1 47 47 ALA CA C 13 55.5 0.15 . 1 . . . . . . . . 4957 1 581 . 1 1 47 47 ALA CB C 13 18.1 0.15 . 1 . . . . . . . . 4957 1 582 . 1 1 47 47 ALA N N 15 121.9 0.20 . 1 . . . . . . . . 4957 1 583 . 1 1 48 48 VAL H H 1 7.76 0.01 . 1 . . . . . . . . 4957 1 584 . 1 1 48 48 VAL HA H 1 3.71 0.01 . 1 . . . . . . . . 4957 1 585 . 1 1 48 48 VAL HB H 1 2.06 0.01 . 1 . . . . . . . . 4957 1 586 . 1 1 48 48 VAL HG11 H 1 1.07 0.01 . 1 . . . . . . . . 4957 1 587 . 1 1 48 48 VAL HG12 H 1 1.07 0.01 . 1 . . . . . . . . 4957 1 588 . 1 1 48 48 VAL HG13 H 1 1.07 0.01 . 1 . . . . . . . . 4957 1 589 . 1 1 48 48 VAL HG21 H 1 0.87 0.01 . 1 . . . . . . . . 4957 1 590 . 1 1 48 48 VAL HG22 H 1 0.87 0.01 . 1 . . . . . . . . 4957 1 591 . 1 1 48 48 VAL HG23 H 1 0.87 0.01 . 1 . . . . . . . . 4957 1 592 . 1 1 48 48 VAL C C 13 179.7 0.15 . 1 . . . . . . . . 4957 1 593 . 1 1 48 48 VAL CA C 13 65.7 0.15 . 1 . . . . . . . . 4957 1 594 . 1 1 48 48 VAL CB C 13 31.5 0.15 . 1 . . . . . . . . 4957 1 595 . 1 1 48 48 VAL CG1 C 13 23.0 0.15 . 1 . . . . . . . . 4957 1 596 . 1 1 48 48 VAL CG2 C 13 22.1 0.15 . 1 . . . . . . . . 4957 1 597 . 1 1 48 48 VAL N N 15 121.8 0.20 . 1 . . . . . . . . 4957 1 598 . 1 1 49 49 VAL H H 1 8.44 0.01 . 1 . . . . . . . . 4957 1 599 . 1 1 49 49 VAL HA H 1 3.42 0.01 . 1 . . . . . . . . 4957 1 600 . 1 1 49 49 VAL HB H 1 2.10 0.01 . 1 . . . . . . . . 4957 1 601 . 1 1 49 49 VAL HG11 H 1 1.13 0.01 . 1 . . . . . . . . 4957 1 602 . 1 1 49 49 VAL HG12 H 1 1.13 0.01 . 1 . . . . . . . . 4957 1 603 . 1 1 49 49 VAL HG13 H 1 1.13 0.01 . 1 . . . . . . . . 4957 1 604 . 1 1 49 49 VAL HG21 H 1 0.82 0.01 . 1 . . . . . . . . 4957 1 605 . 1 1 49 49 VAL HG22 H 1 0.82 0.01 . 1 . . . . . . . . 4957 1 606 . 1 1 49 49 VAL HG23 H 1 0.82 0.01 . 1 . . . . . . . . 4957 1 607 . 1 1 49 49 VAL C C 13 177.4 0.15 . 1 . . . . . . . . 4957 1 608 . 1 1 49 49 VAL CA C 13 68.1 0.15 . 1 . . . . . . . . 4957 1 609 . 1 1 49 49 VAL CB C 13 31.3 0.15 . 1 . . . . . . . . 4957 1 610 . 1 1 49 49 VAL CG1 C 13 25.1 0.15 . 1 . . . . . . . . 4957 1 611 . 1 1 49 49 VAL CG2 C 13 22.8 0.15 . 1 . . . . . . . . 4957 1 612 . 1 1 49 49 VAL N N 15 123.6 0.20 . 1 . . . . . . . . 4957 1 613 . 1 1 50 50 ASN H H 1 8.48 0.01 . 1 . . . . . . . . 4957 1 614 . 1 1 50 50 ASN HA H 1 4.37 0.01 . 1 . . . . . . . . 4957 1 615 . 1 1 50 50 ASN HB2 H 1 2.80 0.01 . 1 . . . . . . . . 4957 1 616 . 1 1 50 50 ASN HB3 H 1 2.87 0.01 . 1 . . . . . . . . 4957 1 617 . 1 1 50 50 ASN HD21 H 1 6.64 0.01 . 9 . . . . . . . . 4957 1 618 . 1 1 50 50 ASN HD22 H 1 7.51 0.01 . 9 . . . . . . . . 4957 1 619 . 1 1 50 50 ASN C C 13 179.3 0.15 . 1 . . . . . . . . 4957 1 620 . 1 1 50 50 ASN CA C 13 56.2 0.15 . 1 . . . . . . . . 4957 1 621 . 1 1 50 50 ASN CB C 13 37.4 0.15 . 1 . . . . . . . . 4957 1 622 . 1 1 50 50 ASN N N 15 118.8 0.20 . 1 . . . . . . . . 4957 1 623 . 1 1 51 51 SER H H 1 8.47 0.01 . 1 . . . . . . . . 4957 1 624 . 1 1 51 51 SER HA H 1 4.26 0.01 . 1 . . . . . . . . 4957 1 625 . 1 1 51 51 SER HB2 H 1 3.98 0.01 . 1 . . . . . . . . 4957 1 626 . 1 1 51 51 SER HB3 H 1 3.98 0.01 . 1 . . . . . . . . 4957 1 627 . 1 1 51 51 SER C C 13 177.3 0.15 . 1 . . . . . . . . 4957 1 628 . 1 1 51 51 SER CA C 13 61.8 0.15 . 1 . . . . . . . . 4957 1 629 . 1 1 51 51 SER CB C 13 62.8 0.15 . 1 . . . . . . . . 4957 1 630 . 1 1 51 51 SER N N 15 117.6 0.20 . 1 . . . . . . . . 4957 1 631 . 1 1 52 52 ASN H H 1 8.00 0.01 . 1 . . . . . . . . 4957 1 632 . 1 1 52 52 ASN HA H 1 4.48 0.01 . 1 . . . . . . . . 4957 1 633 . 1 1 52 52 ASN HB2 H 1 2.11 0.01 . 1 . . . . . . . . 4957 1 634 . 1 1 52 52 ASN HB3 H 1 2.72 0.01 . 1 . . . . . . . . 4957 1 635 . 1 1 52 52 ASN HD21 H 1 7.15 0.01 . 9 . . . . . . . . 4957 1 636 . 1 1 52 52 ASN HD22 H 1 7.26 0.01 . 9 . . . . . . . . 4957 1 637 . 1 1 52 52 ASN C C 13 177.6 0.15 . 1 . . . . . . . . 4957 1 638 . 1 1 52 52 ASN CA C 13 57.6 0.15 . 1 . . . . . . . . 4957 1 639 . 1 1 52 52 ASN CB C 13 40.1 0.15 . 1 . . . . . . . . 4957 1 640 . 1 1 52 52 ASN N N 15 121.6 0.20 . 1 . . . . . . . . 4957 1 641 . 1 1 53 53 ILE H H 1 8.71 0.01 . 1 . . . . . . . . 4957 1 642 . 1 1 53 53 ILE HA H 1 3.51 0.01 . 1 . . . . . . . . 4957 1 643 . 1 1 53 53 ILE HB H 1 1.95 0.01 . 1 . . . . . . . . 4957 1 644 . 1 1 53 53 ILE HG12 H 1 2.06 0.01 . 2 . . . . . . . . 4957 1 645 . 1 1 53 53 ILE HG13 H 1 0.64 0.01 . 2 . . . . . . . . 4957 1 646 . 1 1 53 53 ILE HG21 H 1 0.83 0.01 . 1 . . . . . . . . 4957 1 647 . 1 1 53 53 ILE HG22 H 1 0.83 0.01 . 1 . . . . . . . . 4957 1 648 . 1 1 53 53 ILE HG23 H 1 0.83 0.01 . 1 . . . . . . . . 4957 1 649 . 1 1 53 53 ILE HD11 H 1 0.83 0.01 . 1 . . . . . . . . 4957 1 650 . 1 1 53 53 ILE HD12 H 1 0.83 0.01 . 1 . . . . . . . . 4957 1 651 . 1 1 53 53 ILE HD13 H 1 0.83 0.01 . 1 . . . . . . . . 4957 1 652 . 1 1 53 53 ILE C C 13 177.5 0.15 . 1 . . . . . . . . 4957 1 653 . 1 1 53 53 ILE CA C 13 67.5 0.15 . 1 . . . . . . . . 4957 1 654 . 1 1 53 53 ILE CB C 13 38.2 0.15 . 1 . . . . . . . . 4957 1 655 . 1 1 53 53 ILE CG1 C 13 30.6 0.15 . 1 . . . . . . . . 4957 1 656 . 1 1 53 53 ILE CG2 C 13 17.9 0.15 . 1 . . . . . . . . 4957 1 657 . 1 1 53 53 ILE CD1 C 13 14.1 0.15 . 1 . . . . . . . . 4957 1 658 . 1 1 53 53 ILE N N 15 123.5 0.20 . 1 . . . . . . . . 4957 1 659 . 1 1 54 54 GLY H H 1 7.66 0.01 . 1 . . . . . . . . 4957 1 660 . 1 1 54 54 GLY HA2 H 1 3.76 0.01 . 2 . . . . . . . . 4957 1 661 . 1 1 54 54 GLY HA3 H 1 3.99 0.01 . 2 . . . . . . . . 4957 1 662 . 1 1 54 54 GLY C C 13 176.8 0.15 . 1 . . . . . . . . 4957 1 663 . 1 1 54 54 GLY CA C 13 47.7 0.15 . 1 . . . . . . . . 4957 1 664 . 1 1 54 54 GLY N N 15 106.2 0.20 . 1 . . . . . . . . 4957 1 665 . 1 1 55 55 VAL H H 1 7.83 0.01 . 1 . . . . . . . . 4957 1 666 . 1 1 55 55 VAL HA H 1 3.68 0.01 . 1 . . . . . . . . 4957 1 667 . 1 1 55 55 VAL HB H 1 2.23 0.01 . 1 . . . . . . . . 4957 1 668 . 1 1 55 55 VAL HG11 H 1 1.09 0.01 . 1 . . . . . . . . 4957 1 669 . 1 1 55 55 VAL HG12 H 1 1.09 0.01 . 1 . . . . . . . . 4957 1 670 . 1 1 55 55 VAL HG13 H 1 1.09 0.01 . 1 . . . . . . . . 4957 1 671 . 1 1 55 55 VAL HG21 H 1 0.95 0.01 . 1 . . . . . . . . 4957 1 672 . 1 1 55 55 VAL HG22 H 1 0.95 0.01 . 1 . . . . . . . . 4957 1 673 . 1 1 55 55 VAL HG23 H 1 0.95 0.01 . 1 . . . . . . . . 4957 1 674 . 1 1 55 55 VAL C C 13 177.4 0.15 . 1 . . . . . . . . 4957 1 675 . 1 1 55 55 VAL CA C 13 66.8 0.15 . 1 . . . . . . . . 4957 1 676 . 1 1 55 55 VAL CB C 13 31.8 0.15 . 1 . . . . . . . . 4957 1 677 . 1 1 55 55 VAL CG1 C 13 22.5 0.15 . 1 . . . . . . . . 4957 1 678 . 1 1 55 55 VAL CG2 C 13 21.9 0.15 . 1 . . . . . . . . 4957 1 679 . 1 1 55 55 VAL N N 15 124.3 0.20 . 1 . . . . . . . . 4957 1 680 . 1 1 56 56 LEU H H 1 7.69 0.01 . 1 . . . . . . . . 4957 1 681 . 1 1 56 56 LEU HA H 1 3.84 0.01 . 1 . . . . . . . . 4957 1 682 . 1 1 56 56 LEU HB2 H 1 1.21 0.01 . 1 . . . . . . . . 4957 1 683 . 1 1 56 56 LEU HB3 H 1 2.17 0.01 . 1 . . . . . . . . 4957 1 684 . 1 1 56 56 LEU HG H 1 1.95 0.01 . 1 . . . . . . . . 4957 1 685 . 1 1 56 56 LEU HD11 H 1 0.85 0.01 . 1 . . . . . . . . 4957 1 686 . 1 1 56 56 LEU HD12 H 1 0.85 0.01 . 1 . . . . . . . . 4957 1 687 . 1 1 56 56 LEU HD13 H 1 0.85 0.01 . 1 . . . . . . . . 4957 1 688 . 1 1 56 56 LEU HD21 H 1 0.85 0.01 . 1 . . . . . . . . 4957 1 689 . 1 1 56 56 LEU HD22 H 1 0.85 0.01 . 1 . . . . . . . . 4957 1 690 . 1 1 56 56 LEU HD23 H 1 0.85 0.01 . 1 . . . . . . . . 4957 1 691 . 1 1 56 56 LEU C C 13 179.4 0.15 . 1 . . . . . . . . 4957 1 692 . 1 1 56 56 LEU CA C 13 58.6 0.15 . 1 . . . . . . . . 4957 1 693 . 1 1 56 56 LEU CB C 13 42.5 0.15 . 1 . . . . . . . . 4957 1 694 . 1 1 56 56 LEU CG C 13 27.0 0.15 . 1 . . . . . . . . 4957 1 695 . 1 1 56 56 LEU CD1 C 13 25.9 0.15 . 1 . . . . . . . . 4957 1 696 . 1 1 56 56 LEU CD2 C 13 24.8 0.15 . 1 . . . . . . . . 4957 1 697 . 1 1 56 56 LEU N N 15 120.3 0.20 . 1 . . . . . . . . 4957 1 698 . 1 1 57 57 ILE H H 1 8.17 0.01 . 1 . . . . . . . . 4957 1 699 . 1 1 57 57 ILE HA H 1 4.47 0.01 . 1 . . . . . . . . 4957 1 700 . 1 1 57 57 ILE HB H 1 1.90 0.01 . 1 . . . . . . . . 4957 1 701 . 1 1 57 57 ILE HG12 H 1 1.67 0.01 . 2 . . . . . . . . 4957 1 702 . 1 1 57 57 ILE HG13 H 1 0.74 0.01 . 2 . . . . . . . . 4957 1 703 . 1 1 57 57 ILE HG21 H 1 1.00 0.01 . 1 . . . . . . . . 4957 1 704 . 1 1 57 57 ILE HG22 H 1 1.00 0.01 . 1 . . . . . . . . 4957 1 705 . 1 1 57 57 ILE HG23 H 1 1.00 0.01 . 1 . . . . . . . . 4957 1 706 . 1 1 57 57 ILE HD11 H 1 0.74 0.01 . 1 . . . . . . . . 4957 1 707 . 1 1 57 57 ILE HD12 H 1 0.74 0.01 . 1 . . . . . . . . 4957 1 708 . 1 1 57 57 ILE HD13 H 1 0.74 0.01 . 1 . . . . . . . . 4957 1 709 . 1 1 57 57 ILE C C 13 180.9 0.15 . 1 . . . . . . . . 4957 1 710 . 1 1 57 57 ILE CA C 13 64.3 0.15 . 1 . . . . . . . . 4957 1 711 . 1 1 57 57 ILE CB C 13 38.6 0.15 . 1 . . . . . . . . 4957 1 712 . 1 1 57 57 ILE CG1 C 13 29.0 0.15 . 1 . . . . . . . . 4957 1 713 . 1 1 57 57 ILE CG2 C 13 16.8 0.15 . 1 . . . . . . . . 4957 1 714 . 1 1 57 57 ILE CD1 C 13 14.2 0.15 . 1 . . . . . . . . 4957 1 715 . 1 1 57 57 ILE N N 15 121.5 0.20 . 1 . . . . . . . . 4957 1 716 . 1 1 58 58 LYS H H 1 8.44 0.01 . 1 . . . . . . . . 4957 1 717 . 1 1 58 58 LYS HA H 1 4.12 0.01 . 1 . . . . . . . . 4957 1 718 . 1 1 58 58 LYS HB2 H 1 2.04 0.01 . 1 . . . . . . . . 4957 1 719 . 1 1 58 58 LYS HB3 H 1 2.04 0.01 . 1 . . . . . . . . 4957 1 720 . 1 1 58 58 LYS HG2 H 1 1.56 0.01 . 1 . . . . . . . . 4957 1 721 . 1 1 58 58 LYS HG3 H 1 1.56 0.01 . 1 . . . . . . . . 4957 1 722 . 1 1 58 58 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 4957 1 723 . 1 1 58 58 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 4957 1 724 . 1 1 58 58 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 4957 1 725 . 1 1 58 58 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 4957 1 726 . 1 1 58 58 LYS C C 13 179.1 0.15 . 1 . . . . . . . . 4957 1 727 . 1 1 58 58 LYS CA C 13 59.7 0.15 . 1 . . . . . . . . 4957 1 728 . 1 1 58 58 LYS CB C 13 32.3 0.15 . 1 . . . . . . . . 4957 1 729 . 1 1 58 58 LYS CG C 13 25.4 0.15 . 1 . . . . . . . . 4957 1 730 . 1 1 58 58 LYS CD C 13 29.3 0.15 . 1 . . . . . . . . 4957 1 731 . 1 1 58 58 LYS CE C 13 42.2 0.15 . 1 . . . . . . . . 4957 1 732 . 1 1 58 58 LYS N N 15 125.7 0.20 . 1 . . . . . . . . 4957 1 733 . 1 1 59 59 LYS H H 1 8.29 0.01 . 1 . . . . . . . . 4957 1 734 . 1 1 59 59 LYS HA H 1 4.32 0.01 . 1 . . . . . . . . 4957 1 735 . 1 1 59 59 LYS HB2 H 1 2.04 0.01 . 2 . . . . . . . . 4957 1 736 . 1 1 59 59 LYS HB3 H 1 1.74 0.01 . 2 . . . . . . . . 4957 1 737 . 1 1 59 59 LYS HG2 H 1 1.60 0.01 . 1 . . . . . . . . 4957 1 738 . 1 1 59 59 LYS HG3 H 1 1.60 0.01 . 1 . . . . . . . . 4957 1 739 . 1 1 59 59 LYS HD2 H 1 1.47 0.01 . 1 . . . . . . . . 4957 1 740 . 1 1 59 59 LYS HD3 H 1 1.47 0.01 . 1 . . . . . . . . 4957 1 741 . 1 1 59 59 LYS HE2 H 1 3.05 0.01 . 2 . . . . . . . . 4957 1 742 . 1 1 59 59 LYS HE3 H 1 2.88 0.01 . 2 . . . . . . . . 4957 1 743 . 1 1 59 59 LYS C C 13 176.4 0.15 . 1 . . . . . . . . 4957 1 744 . 1 1 59 59 LYS CA C 13 56.5 0.15 . 1 . . . . . . . . 4957 1 745 . 1 1 59 59 LYS CB C 13 33.1 0.15 . 1 . . . . . . . . 4957 1 746 . 1 1 59 59 LYS CG C 13 25.8 0.15 . 1 . . . . . . . . 4957 1 747 . 1 1 59 59 LYS CD C 13 29.0 0.15 . 1 . . . . . . . . 4957 1 748 . 1 1 59 59 LYS CE C 13 42.1 0.15 . 1 . . . . . . . . 4957 1 749 . 1 1 59 59 LYS N N 15 116.1 0.20 . 1 . . . . . . . . 4957 1 750 . 1 1 60 60 GLY H H 1 8.04 0.01 . 1 . . . . . . . . 4957 1 751 . 1 1 60 60 GLY HA2 H 1 4.05 0.01 . 2 . . . . . . . . 4957 1 752 . 1 1 60 60 GLY HA3 H 1 4.14 0.01 . 2 . . . . . . . . 4957 1 753 . 1 1 60 60 GLY C C 13 174.9 0.15 . 1 . . . . . . . . 4957 1 754 . 1 1 60 60 GLY CA C 13 46.1 0.15 . 1 . . . . . . . . 4957 1 755 . 1 1 60 60 GLY N N 15 108.3 0.20 . 1 . . . . . . . . 4957 1 756 . 1 1 61 61 LEU H H 1 8.15 0.01 . 1 . . . . . . . . 4957 1 757 . 1 1 61 61 LEU HA H 1 4.40 0.01 . 1 . . . . . . . . 4957 1 758 . 1 1 61 61 LEU HB2 H 1 1.51 0.01 . 2 . . . . . . . . 4957 1 759 . 1 1 61 61 LEU HB3 H 1 1.81 0.01 . 2 . . . . . . . . 4957 1 760 . 1 1 61 61 LEU HG H 1 1.51 0.01 . 1 . . . . . . . . 4957 1 761 . 1 1 61 61 LEU HD11 H 1 0.69 0.01 . 1 . . . . . . . . 4957 1 762 . 1 1 61 61 LEU HD12 H 1 0.69 0.01 . 1 . . . . . . . . 4957 1 763 . 1 1 61 61 LEU HD13 H 1 0.69 0.01 . 1 . . . . . . . . 4957 1 764 . 1 1 61 61 LEU HD21 H 1 0.82 0.01 . 1 . . . . . . . . 4957 1 765 . 1 1 61 61 LEU HD22 H 1 0.82 0.01 . 1 . . . . . . . . 4957 1 766 . 1 1 61 61 LEU HD23 H 1 0.82 0.01 . 1 . . . . . . . . 4957 1 767 . 1 1 61 61 LEU C C 13 174.6 0.15 . 1 . . . . . . . . 4957 1 768 . 1 1 61 61 LEU CA C 13 55.6 0.15 . 1 . . . . . . . . 4957 1 769 . 1 1 61 61 LEU CB C 13 43.4 0.15 . 1 . . . . . . . . 4957 1 770 . 1 1 61 61 LEU CG C 13 27.3 0.15 . 1 . . . . . . . . 4957 1 771 . 1 1 61 61 LEU CD1 C 13 22.8 0.15 . 1 . . . . . . . . 4957 1 772 . 1 1 61 61 LEU CD2 C 13 26.5 0.15 . 1 . . . . . . . . 4957 1 773 . 1 1 61 61 LEU N N 15 119.6 0.20 . 1 . . . . . . . . 4957 1 774 . 1 1 62 62 VAL H H 1 7.03 0.01 . 1 . . . . . . . . 4957 1 775 . 1 1 62 62 VAL HA H 1 4.76 0.01 . 1 . . . . . . . . 4957 1 776 . 1 1 62 62 VAL HB H 1 1.39 0.01 . 1 . . . . . . . . 4957 1 777 . 1 1 62 62 VAL HG11 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 778 . 1 1 62 62 VAL HG12 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 779 . 1 1 62 62 VAL HG13 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 780 . 1 1 62 62 VAL HG21 H 1 0.82 0.01 . 1 . . . . . . . . 4957 1 781 . 1 1 62 62 VAL HG22 H 1 0.82 0.01 . 1 . . . . . . . . 4957 1 782 . 1 1 62 62 VAL HG23 H 1 0.82 0.01 . 1 . . . . . . . . 4957 1 783 . 1 1 62 62 VAL C C 13 173.1 0.15 . 1 . . . . . . . . 4957 1 784 . 1 1 62 62 VAL CA C 13 59.3 0.15 . 1 . . . . . . . . 4957 1 785 . 1 1 62 62 VAL CB C 13 37.3 0.15 . 1 . . . . . . . . 4957 1 786 . 1 1 62 62 VAL CG1 C 13 24.9 0.15 . 1 . . . . . . . . 4957 1 787 . 1 1 62 62 VAL CG2 C 13 23.4 0.15 . 1 . . . . . . . . 4957 1 788 . 1 1 62 62 VAL N N 15 118.6 0.20 . 1 . . . . . . . . 4957 1 789 . 1 1 63 63 GLU H H 1 9.31 0.01 . 1 . . . . . . . . 4957 1 790 . 1 1 63 63 GLU HA H 1 4.70 0.01 . 1 . . . . . . . . 4957 1 791 . 1 1 63 63 GLU HB2 H 1 1.82 0.01 . 1 . . . . . . . . 4957 1 792 . 1 1 63 63 GLU HB3 H 1 1.82 0.01 . 1 . . . . . . . . 4957 1 793 . 1 1 63 63 GLU HG2 H 1 2.03 0.01 . 1 . . . . . . . . 4957 1 794 . 1 1 63 63 GLU HG3 H 1 2.03 0.01 . 1 . . . . . . . . 4957 1 795 . 1 1 63 63 GLU C C 13 174.0 0.15 . 1 . . . . . . . . 4957 1 796 . 1 1 63 63 GLU CA C 13 54.2 0.15 . 1 . . . . . . . . 4957 1 797 . 1 1 63 63 GLU CB C 13 33.9 0.15 . 1 . . . . . . . . 4957 1 798 . 1 1 63 63 GLU CG C 13 36.2 0.15 . 1 . . . . . . . . 4957 1 799 . 1 1 63 63 GLU N N 15 125.8 0.20 . 1 . . . . . . . . 4957 1 800 . 1 1 64 64 LYS H H 1 8.58 0.01 . 1 . . . . . . . . 4957 1 801 . 1 1 64 64 LYS HA H 1 4.89 0.01 . 1 . . . . . . . . 4957 1 802 . 1 1 64 64 LYS HB2 H 1 1.53 0.01 . 2 . . . . . . . . 4957 1 803 . 1 1 64 64 LYS HB3 H 1 1.88 0.01 . 2 . . . . . . . . 4957 1 804 . 1 1 64 64 LYS HG2 H 1 1.36 0.01 . 1 . . . . . . . . 4957 1 805 . 1 1 64 64 LYS HG3 H 1 1.36 0.01 . 1 . . . . . . . . 4957 1 806 . 1 1 64 64 LYS HD2 H 1 1.68 0.01 . 1 . . . . . . . . 4957 1 807 . 1 1 64 64 LYS HD3 H 1 1.68 0.01 . 1 . . . . . . . . 4957 1 808 . 1 1 64 64 LYS HE2 H 1 2.96 0.01 . 1 . . . . . . . . 4957 1 809 . 1 1 64 64 LYS HE3 H 1 2.96 0.01 . 1 . . . . . . . . 4957 1 810 . 1 1 64 64 LYS C C 13 176.7 0.15 . 1 . . . . . . . . 4957 1 811 . 1 1 64 64 LYS CA C 13 55.9 0.15 . 1 . . . . . . . . 4957 1 812 . 1 1 64 64 LYS CB C 13 33.7 0.15 . 1 . . . . . . . . 4957 1 813 . 1 1 64 64 LYS CG C 13 25.3 0.15 . 1 . . . . . . . . 4957 1 814 . 1 1 64 64 LYS CD C 13 29.5 0.15 . 1 . . . . . . . . 4957 1 815 . 1 1 64 64 LYS CE C 13 42.0 0.15 . 1 . . . . . . . . 4957 1 816 . 1 1 64 64 LYS N N 15 122.6 0.20 . 1 . . . . . . . . 4957 1 817 . 1 1 65 65 SER H H 1 8.56 0.01 . 1 . . . . . . . . 4957 1 818 . 1 1 65 65 SER HA H 1 4.61 0.01 . 1 . . . . . . . . 4957 1 819 . 1 1 65 65 SER HB2 H 1 3.65 0.01 . 1 . . . . . . . . 4957 1 820 . 1 1 65 65 SER HB3 H 1 3.70 0.01 . 1 . . . . . . . . 4957 1 821 . 1 1 65 65 SER C C 13 174.8 0.15 . 1 . . . . . . . . 4957 1 822 . 1 1 65 65 SER CA C 13 56.9 0.15 . 1 . . . . . . . . 4957 1 823 . 1 1 65 65 SER CB C 13 63.8 0.15 . 1 . . . . . . . . 4957 1 824 . 1 1 65 65 SER N N 15 121.4 0.20 . 1 . . . . . . . . 4957 1 825 . 1 1 66 66 GLY H H 1 9.05 0.01 . 1 . . . . . . . . 4957 1 826 . 1 1 66 66 GLY HA2 H 1 3.70 0.01 . 2 . . . . . . . . 4957 1 827 . 1 1 66 66 GLY HA3 H 1 4.02 0.01 . 2 . . . . . . . . 4957 1 828 . 1 1 66 66 GLY C C 13 174.9 0.15 . 1 . . . . . . . . 4957 1 829 . 1 1 66 66 GLY CA C 13 47.23 0.15 . 1 . . . . . . . . 4957 1 830 . 1 1 66 66 GLY N N 15 119.42 0.20 . 1 . . . . . . . . 4957 1 831 . 1 1 67 67 ASP H H 1 8.91 0.01 . 1 . . . . . . . . 4957 1 832 . 1 1 67 67 ASP HA H 1 4.78 0.01 . 1 . . . . . . . . 4957 1 833 . 1 1 67 67 ASP HB2 H 1 2.63 0.01 . 2 . . . . . . . . 4957 1 834 . 1 1 67 67 ASP HB3 H 1 2.87 0.01 . 2 . . . . . . . . 4957 1 835 . 1 1 67 67 ASP C C 13 175.8 0.15 . 1 . . . . . . . . 4957 1 836 . 1 1 67 67 ASP CA C 13 54.7 0.15 . 1 . . . . . . . . 4957 1 837 . 1 1 67 67 ASP CB C 13 41.4 0.15 . 1 . . . . . . . . 4957 1 838 . 1 1 67 67 ASP N N 15 127.5 0.20 . 1 . . . . . . . . 4957 1 839 . 1 1 68 68 GLY H H 1 8.24 0.01 . 1 . . . . . . . . 4957 1 840 . 1 1 68 68 GLY HA2 H 1 3.51 0.01 . 2 . . . . . . . . 4957 1 841 . 1 1 68 68 GLY HA3 H 1 4.45 0.01 . 2 . . . . . . . . 4957 1 842 . 1 1 68 68 GLY C C 13 172.3 0.15 . 1 . . . . . . . . 4957 1 843 . 1 1 68 68 GLY CA C 13 45.3 0.15 . 1 . . . . . . . . 4957 1 844 . 1 1 68 68 GLY N N 15 109.3 0.20 . 1 . . . . . . . . 4957 1 845 . 1 1 69 69 LEU H H 1 8.67 0.01 . 1 . . . . . . . . 4957 1 846 . 1 1 69 69 LEU HA H 1 5.14 0.01 . 1 . . . . . . . . 4957 1 847 . 1 1 69 69 LEU HB2 H 1 1.01 0.01 . 1 . . . . . . . . 4957 1 848 . 1 1 69 69 LEU HB3 H 1 1.79 0.01 . 1 . . . . . . . . 4957 1 849 . 1 1 69 69 LEU HG H 1 1.69 0.01 . 1 . . . . . . . . 4957 1 850 . 1 1 69 69 LEU HD11 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 851 . 1 1 69 69 LEU HD12 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 852 . 1 1 69 69 LEU HD13 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 853 . 1 1 69 69 LEU HD21 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 854 . 1 1 69 69 LEU HD22 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 855 . 1 1 69 69 LEU HD23 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 856 . 1 1 69 69 LEU C C 13 175.1 0.15 . 1 . . . . . . . . 4957 1 857 . 1 1 69 69 LEU CA C 13 54.0 0.15 . 1 . . . . . . . . 4957 1 858 . 1 1 69 69 LEU CB C 13 44.9 0.15 . 1 . . . . . . . . 4957 1 859 . 1 1 69 69 LEU CG C 13 27.0 0.15 . 1 . . . . . . . . 4957 1 860 . 1 1 69 69 LEU CD1 C 13 26.1 0.15 . 1 . . . . . . . . 4957 1 861 . 1 1 69 69 LEU CD2 C 13 23.3 0.15 . 1 . . . . . . . . 4957 1 862 . 1 1 69 69 LEU N N 15 125.1 0.20 . 1 . . . . . . . . 4957 1 863 . 1 1 70 70 ILE H H 1 8.57 0.01 . 1 . . . . . . . . 4957 1 864 . 1 1 70 70 ILE HA H 1 4.90 0.01 . 1 . . . . . . . . 4957 1 865 . 1 1 70 70 ILE HB H 1 1.43 0.01 . 1 . . . . . . . . 4957 1 866 . 1 1 70 70 ILE HG12 H 1 1.29 0.01 . 2 . . . . . . . . 4957 1 867 . 1 1 70 70 ILE HG13 H 1 1.06 0.01 . 2 . . . . . . . . 4957 1 868 . 1 1 70 70 ILE HG21 H 1 0.66 0.01 . 1 . . . . . . . . 4957 1 869 . 1 1 70 70 ILE HG22 H 1 0.66 0.01 . 1 . . . . . . . . 4957 1 870 . 1 1 70 70 ILE HG23 H 1 0.66 0.01 . 1 . . . . . . . . 4957 1 871 . 1 1 70 70 ILE HD11 H 1 0.55 0.01 . 1 . . . . . . . . 4957 1 872 . 1 1 70 70 ILE HD12 H 1 0.55 0.01 . 1 . . . . . . . . 4957 1 873 . 1 1 70 70 ILE HD13 H 1 0.55 0.01 . 1 . . . . . . . . 4957 1 874 . 1 1 70 70 ILE C C 13 174.9 0.15 . 1 . . . . . . . . 4957 1 875 . 1 1 70 70 ILE CA C 13 58.9 0.15 . 1 . . . . . . . . 4957 1 876 . 1 1 70 70 ILE CB C 13 42.6 0.15 . 1 . . . . . . . . 4957 1 877 . 1 1 70 70 ILE CG1 C 13 26.9 0.15 . 1 . . . . . . . . 4957 1 878 . 1 1 70 70 ILE CG2 C 13 17.1 0.15 . 1 . . . . . . . . 4957 1 879 . 1 1 70 70 ILE CD1 C 13 14.1 0.15 . 1 . . . . . . . . 4957 1 880 . 1 1 70 70 ILE N N 15 117.8 0.20 . 1 . . . . . . . . 4957 1 881 . 1 1 71 71 ILE H H 1 8.36 0.01 . 1 . . . . . . . . 4957 1 882 . 1 1 71 71 ILE HA H 1 4.94 0.01 . 1 . . . . . . . . 4957 1 883 . 1 1 71 71 ILE HB H 1 2.15 0.01 . 1 . . . . . . . . 4957 1 884 . 1 1 71 71 ILE HG12 H 1 1.41 0.01 . 1 . . . . . . . . 4957 1 885 . 1 1 71 71 ILE HG13 H 1 1.41 0.01 . 1 . . . . . . . . 4957 1 886 . 1 1 71 71 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 4957 1 887 . 1 1 71 71 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 4957 1 888 . 1 1 71 71 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 4957 1 889 . 1 1 71 71 ILE HD11 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 890 . 1 1 71 71 ILE HD12 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 891 . 1 1 71 71 ILE HD13 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 892 . 1 1 71 71 ILE C C 13 176.4 0.15 . 1 . . . . . . . . 4957 1 893 . 1 1 71 71 ILE CA C 13 61.8 0.15 . 1 . . . . . . . . 4957 1 894 . 1 1 71 71 ILE CB C 13 39.0 0.15 . 1 . . . . . . . . 4957 1 895 . 1 1 71 71 ILE CG1 C 13 25.0 0.15 . 1 . . . . . . . . 4957 1 896 . 1 1 71 71 ILE CG2 C 13 19.0 0.15 . 1 . . . . . . . . 4957 1 897 . 1 1 71 71 ILE CD1 C 13 14.9 0.15 . 1 . . . . . . . . 4957 1 898 . 1 1 71 71 ILE N N 15 118.8 0.20 . 1 . . . . . . . . 4957 1 899 . 1 1 72 72 THR H H 1 7.52 0.01 . 1 . . . . . . . . 4957 1 900 . 1 1 72 72 THR HA H 1 4.61 0.01 . 1 . . . . . . . . 4957 1 901 . 1 1 72 72 THR HB H 1 4.76 0.01 . 1 . . . . . . . . 4957 1 902 . 1 1 72 72 THR HG21 H 1 0.94 0.01 . 1 . . . . . . . . 4957 1 903 . 1 1 72 72 THR HG22 H 1 0.94 0.01 . 1 . . . . . . . . 4957 1 904 . 1 1 72 72 THR HG23 H 1 0.94 0.01 . 1 . . . . . . . . 4957 1 905 . 1 1 72 72 THR C C 13 176.3 0.15 . 1 . . . . . . . . 4957 1 906 . 1 1 72 72 THR CA C 13 59.8 0.15 . 1 . . . . . . . . 4957 1 907 . 1 1 72 72 THR CB C 13 71.9 0.15 . 1 . . . . . . . . 4957 1 908 . 1 1 72 72 THR CG2 C 13 21.4 0.15 . 1 . . . . . . . . 4957 1 909 . 1 1 72 72 THR N N 15 112.3 0.20 . 1 . . . . . . . . 4957 1 910 . 1 1 73 73 GLY H H 1 8.96 0.01 . 1 . . . . . . . . 4957 1 911 . 1 1 73 73 GLY HA2 H 1 3.98 0.01 . 2 . . . . . . . . 4957 1 912 . 1 1 73 73 GLY HA3 H 1 3.86 0.01 . 2 . . . . . . . . 4957 1 913 . 1 1 73 73 GLY C C 13 176.2 0.15 . 1 . . . . . . . . 4957 1 914 . 1 1 73 73 GLY CA C 13 47.6 0.15 . 1 . . . . . . . . 4957 1 915 . 1 1 73 73 GLY N N 15 109.6 0.20 . 1 . . . . . . . . 4957 1 916 . 1 1 74 74 GLU H H 1 8.35 0.01 . 1 . . . . . . . . 4957 1 917 . 1 1 74 74 GLU HA H 1 4.15 0.01 . 1 . . . . . . . . 4957 1 918 . 1 1 74 74 GLU HB2 H 1 2.04 0.01 . 2 . . . . . . . . 4957 1 919 . 1 1 74 74 GLU HB3 H 1 1.81 0.01 . 2 . . . . . . . . 4957 1 920 . 1 1 74 74 GLU HG2 H 1 2.36 0.01 . 1 . . . . . . . . 4957 1 921 . 1 1 74 74 GLU HG3 H 1 2.36 0.01 . 1 . . . . . . . . 4957 1 922 . 1 1 74 74 GLU C C 13 179.5 0.15 . 1 . . . . . . . . 4957 1 923 . 1 1 74 74 GLU CA C 13 59.8 0.15 . 1 . . . . . . . . 4957 1 924 . 1 1 74 74 GLU CB C 13 29.6 0.15 . 1 . . . . . . . . 4957 1 925 . 1 1 74 74 GLU CG C 13 36.7 0.15 . 1 . . . . . . . . 4957 1 926 . 1 1 74 74 GLU N N 15 122.4 0.20 . 1 . . . . . . . . 4957 1 927 . 1 1 75 75 ALA H H 1 7.20 0.01 . 1 . . . . . . . . 4957 1 928 . 1 1 75 75 ALA HA H 1 4.03 0.01 . 1 . . . . . . . . 4957 1 929 . 1 1 75 75 ALA HB1 H 1 1.88 0.01 . 1 . . . . . . . . 4957 1 930 . 1 1 75 75 ALA HB2 H 1 1.88 0.01 . 1 . . . . . . . . 4957 1 931 . 1 1 75 75 ALA HB3 H 1 1.88 0.01 . 1 . . . . . . . . 4957 1 932 . 1 1 75 75 ALA C C 13 179.0 0.15 . 1 . . . . . . . . 4957 1 933 . 1 1 75 75 ALA CA C 13 55.0 0.15 . 1 . . . . . . . . 4957 1 934 . 1 1 75 75 ALA CB C 13 20.7 0.15 . 1 . . . . . . . . 4957 1 935 . 1 1 75 75 ALA N N 15 122.1 0.20 . 1 . . . . . . . . 4957 1 936 . 1 1 76 76 GLN H H 1 8.37 0.01 . 1 . . . . . . . . 4957 1 937 . 1 1 76 76 GLN HA H 1 3.90 0.01 . 1 . . . . . . . . 4957 1 938 . 1 1 76 76 GLN HB2 H 1 2.24 0.01 . 1 . . . . . . . . 4957 1 939 . 1 1 76 76 GLN HB3 H 1 2.24 0.01 . 1 . . . . . . . . 4957 1 940 . 1 1 76 76 GLN HG2 H 1 2.42 0.01 . 1 . . . . . . . . 4957 1 941 . 1 1 76 76 GLN HG3 H 1 2.42 0.01 . 1 . . . . . . . . 4957 1 942 . 1 1 76 76 GLN HE21 H 1 6.75 0.01 . 9 . . . . . . . . 4957 1 943 . 1 1 76 76 GLN HE22 H 1 7.25 0.01 . 9 . . . . . . . . 4957 1 944 . 1 1 76 76 GLN C C 13 178.6 0.15 . 1 . . . . . . . . 4957 1 945 . 1 1 76 76 GLN CA C 13 59.3 0.15 . 1 . . . . . . . . 4957 1 946 . 1 1 76 76 GLN CB C 13 28.0 0.15 . 1 . . . . . . . . 4957 1 947 . 1 1 76 76 GLN CG C 13 33.8 0.15 . 1 . . . . . . . . 4957 1 948 . 1 1 76 76 GLN N N 15 119.3 0.20 . 1 . . . . . . . . 4957 1 949 . 1 1 77 77 ASP H H 1 7.97 0.01 . 1 . . . . . . . . 4957 1 950 . 1 1 77 77 ASP HA H 1 4.44 0.01 . 1 . . . . . . . . 4957 1 951 . 1 1 77 77 ASP HB2 H 1 2.68 0.01 . 1 . . . . . . . . 4957 1 952 . 1 1 77 77 ASP HB3 H 1 2.81 0.01 . 1 . . . . . . . . 4957 1 953 . 1 1 77 77 ASP C C 13 178.2 0.15 . 1 . . . . . . . . 4957 1 954 . 1 1 77 77 ASP CA C 13 57.5 0.15 . 1 . . . . . . . . 4957 1 955 . 1 1 77 77 ASP CB C 13 40.4 0.15 . 1 . . . . . . . . 4957 1 956 . 1 1 77 77 ASP N N 15 121.2 0.20 . 1 . . . . . . . . 4957 1 957 . 1 1 78 78 ILE H H 1 7.38 0.01 . 1 . . . . . . . . 4957 1 958 . 1 1 78 78 ILE HA H 1 3.73 0.01 . 1 . . . . . . . . 4957 1 959 . 1 1 78 78 ILE HB H 1 1.98 0.01 . 1 . . . . . . . . 4957 1 960 . 1 1 78 78 ILE HG12 H 1 1.98 0.01 . 2 . . . . . . . . 4957 1 961 . 1 1 78 78 ILE HG13 H 1 0.80 0.01 . 2 . . . . . . . . 4957 1 962 . 1 1 78 78 ILE HG21 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 963 . 1 1 78 78 ILE HG22 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 964 . 1 1 78 78 ILE HG23 H 1 0.78 0.01 . 1 . . . . . . . . 4957 1 965 . 1 1 78 78 ILE HD11 H 1 0.80 0.01 . 1 . . . . . . . . 4957 1 966 . 1 1 78 78 ILE HD12 H 1 0.80 0.01 . 1 . . . . . . . . 4957 1 967 . 1 1 78 78 ILE HD13 H 1 0.80 0.01 . 1 . . . . . . . . 4957 1 968 . 1 1 78 78 ILE C C 13 177.5 0.15 . 1 . . . . . . . . 4957 1 969 . 1 1 78 78 ILE CA C 13 65.9 0.15 . 1 . . . . . . . . 4957 1 970 . 1 1 78 78 ILE CB C 13 38.6 0.15 . 1 . . . . . . . . 4957 1 971 . 1 1 78 78 ILE CG1 C 13 29.6 0.15 . 1 . . . . . . . . 4957 1 972 . 1 1 78 78 ILE CG2 C 13 18.0 0.15 . 1 . . . . . . . . 4957 1 973 . 1 1 78 78 ILE CD1 C 13 14.3 0.15 . 1 . . . . . . . . 4957 1 974 . 1 1 78 78 ILE N N 15 122.2 0.20 . 1 . . . . . . . . 4957 1 975 . 1 1 79 79 ILE H H 1 8.24 0.01 . 1 . . . . . . . . 4957 1 976 . 1 1 79 79 ILE HA H 1 3.46 0.01 . 1 . . . . . . . . 4957 1 977 . 1 1 79 79 ILE HB H 1 1.88 0.01 . 1 . . . . . . . . 4957 1 978 . 1 1 79 79 ILE HG12 H 1 1.68 0.01 . 2 . . . . . . . . 4957 1 979 . 1 1 79 79 ILE HG13 H 1 0.87 0.01 . 2 . . . . . . . . 4957 1 980 . 1 1 79 79 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 4957 1 981 . 1 1 79 79 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 4957 1 982 . 1 1 79 79 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 4957 1 983 . 1 1 79 79 ILE HD11 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 984 . 1 1 79 79 ILE HD12 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 985 . 1 1 79 79 ILE HD13 H 1 0.70 0.01 . 1 . . . . . . . . 4957 1 986 . 1 1 79 79 ILE C C 13 178.8 0.15 . 1 . . . . . . . . 4957 1 987 . 1 1 79 79 ILE CA C 13 65.9 0.15 . 1 . . . . . . . . 4957 1 988 . 1 1 79 79 ILE CB C 13 37.9 0.15 . 1 . . . . . . . . 4957 1 989 . 1 1 79 79 ILE CG1 C 13 29.8 0.15 . 1 . . . . . . . . 4957 1 990 . 1 1 79 79 ILE CG2 C 13 17.2 0.15 . 1 . . . . . . . . 4957 1 991 . 1 1 79 79 ILE CD1 C 13 13.3 0.15 . 1 . . . . . . . . 4957 1 992 . 1 1 79 79 ILE N N 15 121.3 0.20 . 1 . . . . . . . . 4957 1 993 . 1 1 80 80 SER H H 1 8.71 0.01 . 1 . . . . . . . . 4957 1 994 . 1 1 80 80 SER HA H 1 4.28 0.01 . 1 . . . . . . . . 4957 1 995 . 1 1 80 80 SER HB2 H 1 4.03 0.01 . 1 . . . . . . . . 4957 1 996 . 1 1 80 80 SER HB3 H 1 4.03 0.01 . 1 . . . . . . . . 4957 1 997 . 1 1 80 80 SER C C 13 177.4 0.15 . 1 . . . . . . . . 4957 1 998 . 1 1 80 80 SER CA C 13 61.9 0.15 . 1 . . . . . . . . 4957 1 999 . 1 1 80 80 SER CB C 13 62.8 0.15 . 1 . . . . . . . . 4957 1 1000 . 1 1 80 80 SER N N 15 118.1 0.20 . 1 . . . . . . . . 4957 1 1001 . 1 1 81 81 ASN H H 1 8.55 0.01 . 1 . . . . . . . . 4957 1 1002 . 1 1 81 81 ASN HA H 1 4.58 0.01 . 1 . . . . . . . . 4957 1 1003 . 1 1 81 81 ASN HB2 H 1 2.83 0.01 . 1 . . . . . . . . 4957 1 1004 . 1 1 81 81 ASN HB3 H 1 3.05 0.01 . 1 . . . . . . . . 4957 1 1005 . 1 1 81 81 ASN HD21 H 1 6.90 0.01 . 9 . . . . . . . . 4957 1 1006 . 1 1 81 81 ASN HD22 H 1 7.69 0.01 . 9 . . . . . . . . 4957 1 1007 . 1 1 81 81 ASN C C 13 178.0 0.15 . 1 . . . . . . . . 4957 1 1008 . 1 1 81 81 ASN CA C 13 56.0 0.15 . 1 . . . . . . . . 4957 1 1009 . 1 1 81 81 ASN CB C 13 38.0 0.15 . 1 . . . . . . . . 4957 1 1010 . 1 1 81 81 ASN N N 15 123.1 0.20 . 1 . . . . . . . . 4957 1 1011 . 1 1 82 82 ALA H H 1 8.76 0.01 . 1 . . . . . . . . 4957 1 1012 . 1 1 82 82 ALA HA H 1 4.01 0.01 . 1 . . . . . . . . 4957 1 1013 . 1 1 82 82 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 4957 1 1014 . 1 1 82 82 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 4957 1 1015 . 1 1 82 82 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 4957 1 1016 . 1 1 82 82 ALA C C 13 179.0 0.15 . 1 . . . . . . . . 4957 1 1017 . 1 1 82 82 ALA CA C 13 55.6 0.15 . 1 . . . . . . . . 4957 1 1018 . 1 1 82 82 ALA CB C 13 19.2 0.15 . 1 . . . . . . . . 4957 1 1019 . 1 1 82 82 ALA N N 15 124.7 0.20 . 1 . . . . . . . . 4957 1 1020 . 1 1 83 83 ALA H H 1 7.86 0.01 . 1 . . . . . . . . 4957 1 1021 . 1 1 83 83 ALA HA H 1 4.09 0.01 . 1 . . . . . . . . 4957 1 1022 . 1 1 83 83 ALA HB1 H 1 1.60 0.01 . 1 . . . . . . . . 4957 1 1023 . 1 1 83 83 ALA HB2 H 1 1.60 0.01 . 1 . . . . . . . . 4957 1 1024 . 1 1 83 83 ALA HB3 H 1 1.60 0.01 . 1 . . . . . . . . 4957 1 1025 . 1 1 83 83 ALA C C 13 180.7 0.15 . 1 . . . . . . . . 4957 1 1026 . 1 1 83 83 ALA CA C 13 55.4 0.15 . 1 . . . . . . . . 4957 1 1027 . 1 1 83 83 ALA CB C 13 18.0 0.15 . 1 . . . . . . . . 4957 1 1028 . 1 1 83 83 ALA N N 15 122.2 0.20 . 1 . . . . . . . . 4957 1 1029 . 1 1 84 84 THR H H 1 7.95 0.01 . 1 . . . . . . . . 4957 1 1030 . 1 1 84 84 THR HA H 1 3.98 0.01 . 1 . . . . . . . . 4957 1 1031 . 1 1 84 84 THR HB H 1 4.38 0.01 . 1 . . . . . . . . 4957 1 1032 . 1 1 84 84 THR HG21 H 1 1.26 0.01 . 1 . . . . . . . . 4957 1 1033 . 1 1 84 84 THR HG22 H 1 1.26 0.01 . 1 . . . . . . . . 4957 1 1034 . 1 1 84 84 THR HG23 H 1 1.26 0.01 . 1 . . . . . . . . 4957 1 1035 . 1 1 84 84 THR C C 13 176.1 0.15 . 1 . . . . . . . . 4957 1 1036 . 1 1 84 84 THR CA C 13 66.5 0.15 . 1 . . . . . . . . 4957 1 1037 . 1 1 84 84 THR CB C 13 68.6 0.15 . 1 . . . . . . . . 4957 1 1038 . 1 1 84 84 THR CG2 C 13 22.1 0.15 . 1 . . . . . . . . 4957 1 1039 . 1 1 84 84 THR N N 15 118.5 0.20 . 1 . . . . . . . . 4957 1 1040 . 1 1 85 85 LEU H H 1 8.09 0.01 . 1 . . . . . . . . 4957 1 1041 . 1 1 85 85 LEU HA H 1 4.09 0.01 . 1 . . . . . . . . 4957 1 1042 . 1 1 85 85 LEU HB2 H 1 1.99 0.01 . 1 . . . . . . . . 4957 1 1043 . 1 1 85 85 LEU HB3 H 1 1.65 0.01 . 1 . . . . . . . . 4957 1 1044 . 1 1 85 85 LEU HG H 1 1.90 0.01 . 1 . . . . . . . . 4957 1 1045 . 1 1 85 85 LEU HD11 H 1 0.99 0.01 . 1 . . . . . . . . 4957 1 1046 . 1 1 85 85 LEU HD12 H 1 0.99 0.01 . 1 . . . . . . . . 4957 1 1047 . 1 1 85 85 LEU HD13 H 1 0.99 0.01 . 1 . . . . . . . . 4957 1 1048 . 1 1 85 85 LEU HD21 H 1 0.91 0.01 . 1 . . . . . . . . 4957 1 1049 . 1 1 85 85 LEU HD22 H 1 0.91 0.01 . 1 . . . . . . . . 4957 1 1050 . 1 1 85 85 LEU HD23 H 1 0.91 0.01 . 1 . . . . . . . . 4957 1 1051 . 1 1 85 85 LEU C C 13 178.9 0.15 . 1 . . . . . . . . 4957 1 1052 . 1 1 85 85 LEU CA C 13 58.0 0.15 . 1 . . . . . . . . 4957 1 1053 . 1 1 85 85 LEU CB C 13 42.5 0.15 . 1 . . . . . . . . 4957 1 1054 . 1 1 85 85 LEU CG C 13 26.7 0.15 . 1 . . . . . . . . 4957 1 1055 . 1 1 85 85 LEU CD1 C 13 25.1 0.15 . 1 . . . . . . . . 4957 1 1056 . 1 1 85 85 LEU CD2 C 13 22.9 0.15 . 1 . . . . . . . . 4957 1 1057 . 1 1 85 85 LEU N N 15 123.3 0.20 . 1 . . . . . . . . 4957 1 1058 . 1 1 86 86 TYR H H 1 8.05 0.01 . 1 . . . . . . . . 4957 1 1059 . 1 1 86 86 TYR HA H 1 3.27 0.01 . 1 . . . . . . . . 4957 1 1060 . 1 1 86 86 TYR HB2 H 1 2.81 0.01 . 1 . . . . . . . . 4957 1 1061 . 1 1 86 86 TYR HB3 H 1 2.38 0.01 . 1 . . . . . . . . 4957 1 1062 . 1 1 86 86 TYR HD1 H 1 6.79 0.01 . 1 . . . . . . . . 4957 1 1063 . 1 1 86 86 TYR HD2 H 1 6.79 0.01 . 1 . . . . . . . . 4957 1 1064 . 1 1 86 86 TYR HE1 H 1 6.77 0.01 . 1 . . . . . . . . 4957 1 1065 . 1 1 86 86 TYR HE2 H 1 6.77 0.01 . 1 . . . . . . . . 4957 1 1066 . 1 1 86 86 TYR C C 13 177.5 0.15 . 1 . . . . . . . . 4957 1 1067 . 1 1 86 86 TYR CA C 13 60.9 0.15 . 1 . . . . . . . . 4957 1 1068 . 1 1 86 86 TYR CB C 13 38.1 0.15 . 1 . . . . . . . . 4957 1 1069 . 1 1 86 86 TYR CD1 C 13 133.1 0.15 . 1 . . . . . . . . 4957 1 1070 . 1 1 86 86 TYR CD2 C 13 133.1 0.15 . 1 . . . . . . . . 4957 1 1071 . 1 1 86 86 TYR CE1 C 13 118.1 0.15 . 1 . . . . . . . . 4957 1 1072 . 1 1 86 86 TYR CE2 C 13 118.1 0.15 . 1 . . . . . . . . 4957 1 1073 . 1 1 86 86 TYR N N 15 120.3 0.20 . 1 . . . . . . . . 4957 1 1074 . 1 1 87 87 ALA H H 1 7.88 0.01 . 1 . . . . . . . . 4957 1 1075 . 1 1 87 87 ALA HA H 1 3.92 0.01 . 1 . . . . . . . . 4957 1 1076 . 1 1 87 87 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 4957 1 1077 . 1 1 87 87 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 4957 1 1078 . 1 1 87 87 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 4957 1 1079 . 1 1 87 87 ALA C C 13 179.3 0.15 . 1 . . . . . . . . 4957 1 1080 . 1 1 87 87 ALA CA C 13 54.7 0.15 . 1 . . . . . . . . 4957 1 1081 . 1 1 87 87 ALA CB C 13 18.5 0.15 . 1 . . . . . . . . 4957 1 1082 . 1 1 87 87 ALA N N 15 122.6 0.20 . 1 . . . . . . . . 4957 1 1083 . 1 1 88 88 GLN H H 1 7.92 0.01 . 1 . . . . . . . . 4957 1 1084 . 1 1 88 88 GLN HA H 1 4.06 0.01 . 1 . . . . . . . . 4957 1 1085 . 1 1 88 88 GLN HB2 H 1 2.19 0.01 . 2 . . . . . . . . 4957 1 1086 . 1 1 88 88 GLN HB3 H 1 2.16 0.01 . 2 . . . . . . . . 4957 1 1087 . 1 1 88 88 GLN HG2 H 1 2.59 0.01 . 2 . . . . . . . . 4957 1 1088 . 1 1 88 88 GLN HG3 H 1 2.43 0.01 . 2 . . . . . . . . 4957 1 1089 . 1 1 88 88 GLN HE21 H 1 6.76 0.01 . 9 . . . . . . . . 4957 1 1090 . 1 1 88 88 GLN HE22 H 1 7.40 0.01 . 9 . . . . . . . . 4957 1 1091 . 1 1 88 88 GLN C C 13 177.6 0.15 . 1 . . . . . . . . 4957 1 1092 . 1 1 88 88 GLN CA C 13 58.0 0.15 . 1 . . . . . . . . 4957 1 1093 . 1 1 88 88 GLN CB C 13 28.8 0.15 . 1 . . . . . . . . 4957 1 1094 . 1 1 88 88 GLN CG C 13 34.3 0.15 . 1 . . . . . . . . 4957 1 1095 . 1 1 88 88 GLN N N 15 117.1 0.20 . 1 . . . . . . . . 4957 1 1096 . 1 1 89 89 GLU H H 1 7.56 0.01 . 1 . . . . . . . . 4957 1 1097 . 1 1 89 89 GLU HA H 1 4.25 0.01 . 1 . . . . . . . . 4957 1 1098 . 1 1 89 89 GLU HB2 H 1 1.92 0.01 . 2 . . . . . . . . 4957 1 1099 . 1 1 89 89 GLU HB3 H 1 2.08 0.01 . 2 . . . . . . . . 4957 1 1100 . 1 1 89 89 GLU HG2 H 1 2.50 0.01 . 2 . . . . . . . . 4957 1 1101 . 1 1 89 89 GLU HG3 H 1 2.28 0.01 . 2 . . . . . . . . 4957 1 1102 . 1 1 89 89 GLU C C 13 176.5 0.15 . 1 . . . . . . . . 4957 1 1103 . 1 1 89 89 GLU CA C 13 57.6 0.15 . 1 . . . . . . . . 4957 1 1104 . 1 1 89 89 GLU CB C 13 30.6 0.15 . 1 . . . . . . . . 4957 1 1105 . 1 1 89 89 GLU CG C 13 36.7 0.15 . 1 . . . . . . . . 4957 1 1106 . 1 1 89 89 GLU N N 15 118.1 0.20 . 1 . . . . . . . . 4957 1 1107 . 1 1 90 90 ASN H H 1 7.66 0.01 . 1 . . . . . . . . 4957 1 1108 . 1 1 90 90 ASN HA H 1 4.75 0.01 . 1 . . . . . . . . 4957 1 1109 . 1 1 90 90 ASN HB2 H 1 2.08 0.01 . 2 . . . . . . . . 4957 1 1110 . 1 1 90 90 ASN HB3 H 1 2.52 0.01 . 2 . . . . . . . . 4957 1 1111 . 1 1 90 90 ASN HD21 H 1 6.57 0.01 . 9 . . . . . . . . 4957 1 1112 . 1 1 90 90 ASN HD22 H 1 6.96 0.01 . 9 . . . . . . . . 4957 1 1113 . 1 1 90 90 ASN C C 13 173.8 0.15 . 1 . . . . . . . . 4957 1 1114 . 1 1 90 90 ASN CA C 13 53.2 0.15 . 1 . . . . . . . . 4957 1 1115 . 1 1 90 90 ASN CB C 13 39.9 0.15 . 1 . . . . . . . . 4957 1 1116 . 1 1 90 90 ASN N N 15 118.0 0.20 . 1 . . . . . . . . 4957 1 1117 . 1 1 91 91 ALA H H 1 7.92 0.01 . 1 . . . . . . . . 4957 1 1118 . 1 1 91 91 ALA HA H 1 4.54 0.01 . 1 . . . . . . . . 4957 1 1119 . 1 1 91 91 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 4957 1 1120 . 1 1 91 91 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 4957 1 1121 . 1 1 91 91 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 4957 1 1122 . 1 1 91 91 ALA C C 13 175.2 0.15 . 1 . . . . . . . . 4957 1 1123 . 1 1 91 91 ALA CA C 13 52.0 0.15 . 1 . . . . . . . . 4957 1 1124 . 1 1 91 91 ALA CB C 13 17.9 0.15 . 1 . . . . . . . . 4957 1 1125 . 1 1 91 91 ALA N N 15 125.9 0.20 . 1 . . . . . . . . 4957 1 1126 . 1 1 92 92 PRO HA H 1 4.31 0.01 . 1 . . . . . . . . 4957 1 1127 . 1 1 92 92 PRO HB2 H 1 1.92 0.01 . 2 . . . . . . . . 4957 1 1128 . 1 1 92 92 PRO HB3 H 1 2.29 0.01 . 2 . . . . . . . . 4957 1 1129 . 1 1 92 92 PRO HG2 H 1 1.97 0.01 . 1 . . . . . . . . 4957 1 1130 . 1 1 92 92 PRO HG3 H 1 1.97 0.01 . 1 . . . . . . . . 4957 1 1131 . 1 1 92 92 PRO HD2 H 1 3.70 0.01 . 1 . . . . . . . . 4957 1 1132 . 1 1 92 92 PRO HD3 H 1 3.70 0.01 . 1 . . . . . . . . 4957 1 1133 . 1 1 92 92 PRO C C 13 177.5 0.15 . 1 . . . . . . . . 4957 1 1134 . 1 1 92 92 PRO CA C 13 64.2 0.15 . 1 . . . . . . . . 4957 1 1135 . 1 1 92 92 PRO CB C 13 31.8 0.15 . 1 . . . . . . . . 4957 1 1136 . 1 1 92 92 PRO CG C 13 27.5 0.15 . 1 . . . . . . . . 4957 1 1137 . 1 1 92 92 PRO CD C 13 50.4 0.15 . 1 . . . . . . . . 4957 1 1138 . 1 1 93 93 GLU H H 1 8.60 0.01 . 1 . . . . . . . . 4957 1 1139 . 1 1 93 93 GLU HA H 1 4.21 0.01 . 1 . . . . . . . . 4957 1 1140 . 1 1 93 93 GLU HB2 H 1 2.04 0.01 . 2 . . . . . . . . 4957 1 1141 . 1 1 93 93 GLU HB3 H 1 1.98 0.01 . 2 . . . . . . . . 4957 1 1142 . 1 1 93 93 GLU HG2 H 1 2.31 0.01 . 2 . . . . . . . . 4957 1 1143 . 1 1 93 93 GLU HG3 H 1 2.25 0.01 . 2 . . . . . . . . 4957 1 1144 . 1 1 93 93 GLU C C 13 176.7 0.15 . 1 . . . . . . . . 4957 1 1145 . 1 1 93 93 GLU CA C 13 57.4 0.15 . 1 . . . . . . . . 4957 1 1146 . 1 1 93 93 GLU CB C 13 29.8 0.15 . 1 . . . . . . . . 4957 1 1147 . 1 1 93 93 GLU CG C 13 36.2 0.15 . 1 . . . . . . . . 4957 1 1148 . 1 1 93 93 GLU N N 15 120.8 0.20 . 1 . . . . . . . . 4957 1 1149 . 1 1 94 94 LEU H H 1 8.09 0.01 . 1 . . . . . . . . 4957 1 1150 . 1 1 94 94 LEU HA H 1 4.34 0.01 . 1 . . . . . . . . 4957 1 1151 . 1 1 94 94 LEU HB2 H 1 1.62 0.01 . 1 . . . . . . . . 4957 1 1152 . 1 1 94 94 LEU HB3 H 1 1.62 0.01 . 1 . . . . . . . . 4957 1 1153 . 1 1 94 94 LEU HG H 1 1.62 0.01 . 1 . . . . . . . . 4957 1 1154 . 1 1 94 94 LEU HD11 H 1 0.89 0.01 . 2 . . . . . . . . 4957 1 1155 . 1 1 94 94 LEU HD12 H 1 0.89 0.01 . 2 . . . . . . . . 4957 1 1156 . 1 1 94 94 LEU HD13 H 1 0.89 0.01 . 2 . . . . . . . . 4957 1 1157 . 1 1 94 94 LEU HD21 H 1 0.85 0.01 . 2 . . . . . . . . 4957 1 1158 . 1 1 94 94 LEU HD22 H 1 0.85 0.01 . 2 . . . . . . . . 4957 1 1159 . 1 1 94 94 LEU HD23 H 1 0.85 0.01 . 2 . . . . . . . . 4957 1 1160 . 1 1 94 94 LEU C C 13 177.1 0.15 . 1 . . . . . . . . 4957 1 1161 . 1 1 94 94 LEU CA C 13 55.3 0.15 . 1 . . . . . . . . 4957 1 1162 . 1 1 94 94 LEU CB C 13 42.3 0.15 . 1 . . . . . . . . 4957 1 1163 . 1 1 94 94 LEU CG C 13 27.2 0.15 . 1 . . . . . . . . 4957 1 1164 . 1 1 94 94 LEU CD1 C 13 25.0 0.15 . 2 . . . . . . . . 4957 1 1165 . 1 1 94 94 LEU CD2 C 13 23.6 0.15 . 2 . . . . . . . . 4957 1 1166 . 1 1 94 94 LEU N N 15 123.4 0.20 . 1 . . . . . . . . 4957 1 1167 . 1 1 95 95 LEU H H 1 7.96 0.01 . 1 . . . . . . . . 4957 1 1168 . 1 1 95 95 LEU HA H 1 4.34 0.01 . 1 . . . . . . . . 4957 1 1169 . 1 1 95 95 LEU HB2 H 1 1.65 0.01 . 2 . . . . . . . . 4957 1 1170 . 1 1 95 95 LEU HB3 H 1 1.59 0.01 . 2 . . . . . . . . 4957 1 1171 . 1 1 95 95 LEU HG H 1 1.59 0.01 . 1 . . . . . . . . 4957 1 1172 . 1 1 95 95 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . 4957 1 1173 . 1 1 95 95 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . 4957 1 1174 . 1 1 95 95 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . 4957 1 1175 . 1 1 95 95 LEU HD21 H 1 0.74 0.01 . 2 . . . . . . . . 4957 1 1176 . 1 1 95 95 LEU HD22 H 1 0.74 0.01 . 2 . . . . . . . . 4957 1 1177 . 1 1 95 95 LEU HD23 H 1 0.74 0.01 . 2 . . . . . . . . 4957 1 1178 . 1 1 95 95 LEU C C 13 176.0 0.15 . 1 . . . . . . . . 4957 1 1179 . 1 1 95 95 LEU CA C 13 55.2 0.15 . 1 . . . . . . . . 4957 1 1180 . 1 1 95 95 LEU CB C 13 42.1 0.15 . 1 . . . . . . . . 4957 1 1181 . 1 1 95 95 LEU CG C 13 27.1 0.15 . 1 . . . . . . . . 4957 1 1182 . 1 1 95 95 LEU CD1 C 13 25.1 0.15 . 2 . . . . . . . . 4957 1 1183 . 1 1 95 95 LEU CD2 C 13 23.8 0.15 . 2 . . . . . . . . 4957 1 1184 . 1 1 95 95 LEU N N 15 123.3 0.20 . 1 . . . . . . . . 4957 1 1185 . 1 1 96 96 LYS H H 1 7.63 0.01 . 1 . . . . . . . . 4957 1 1186 . 1 1 96 96 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 4957 1 1187 . 1 1 96 96 LYS HB2 H 1 1.67 0.01 . 2 . . . . . . . . 4957 1 1188 . 1 1 96 96 LYS HB3 H 1 1.79 0.01 . 2 . . . . . . . . 4957 1 1189 . 1 1 96 96 LYS HG2 H 1 1.36 0.01 . 1 . . . . . . . . 4957 1 1190 . 1 1 96 96 LYS HG3 H 1 1.36 0.01 . 1 . . . . . . . . 4957 1 1191 . 1 1 96 96 LYS HD2 H 1 1.63 0.01 . 1 . . . . . . . . 4957 1 1192 . 1 1 96 96 LYS HD3 H 1 1.63 0.01 . 1 . . . . . . . . 4957 1 1193 . 1 1 96 96 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 4957 1 1194 . 1 1 96 96 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 4957 1 1195 . 1 1 96 96 LYS CA C 13 57.8 0.15 . 1 . . . . . . . . 4957 1 1196 . 1 1 96 96 LYS CB C 13 33.9 0.15 . 1 . . . . . . . . 4957 1 1197 . 1 1 96 96 LYS N N 15 127.9 0.20 . 1 . . . . . . . . 4957 1 stop_ save_