data_17691 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17691 _Entry.Title ; Solution structure of the HMG box DNA-binding domain of human stem cell transcription factor Sox2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-06 _Entry.Accession_date 2011-06-06 _Entry.Last_release_date 2011-07-06 _Entry.Original_release_date 2011-07-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sarata Sahu . C. . 17691 2 John Markley . L. . 17691 3 Marco Tonelli . . . 17691 4 Arash Bahrami . . . 17691 5 Hamid Eghbalnia . R. . 17691 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Center for Eukaryotic Genomics' . 17691 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Center for Eukaryotic Structural Genomics' . 17691 'Protein Structure Initiative' . 17691 PSI . 17691 'Structural Genomics' . 17691 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17691 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 17691 '15N chemical shifts' 80 17691 '1H chemical shifts' 532 17691 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 . . 2011-07-06 2011-06-06 original author . 17691 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LE4 'BMRB Entry Tracking System' 17691 stop_ save_ ############### # Citations # ############### save_ADAPT-NMR _Citation.Sf_category citations _Citation.Sf_framecode ADAPT-NMR _Citation.Entry_ID 17691 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Not known' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sarata Sahu . . . 17691 1 2 John Markley . . . 17691 1 3 Marco Tonelli . . . 17691 1 4 Arash Bahrami . . . 17691 1 5 Hamid Eghbalnia . . . 17691 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17691 _Assembly.ID 1 _Assembly.Name Sox2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Sox2 1 $Sox2 A . yes native no no . . . 17691 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sox2 _Entity.Sf_category entity _Entity.Sf_framecode Sox2 _Entity.Entry_ID 17691 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sox2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SDRVKRPMNAFMVWSRGQRR KMAQENPKMHNSEISKRLGA EWKLLSETEKRPFIDEAKRL RALHMKEHPDYKYRPRRKTK T ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9920.689 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1GT0 . "Crystal Structure Of A PouHMGDNA TERNARY COMPLEX" . . . . . 98.77 80 100.00 100.00 2.53e-50 . . . . 17691 1 2 no PDB 1O4X . "Ternary Complex Of The Dna Binding Domains Of The Oct1 And Sox2 Transcription Factors With A 19mer Oligonucleotide From The Hox" . . . . . 98.77 88 100.00 100.00 4.04e-50 . . . . 17691 1 3 no PDB 2LE4 . "Solution Structure Of The Hmg Box Dna-Binding Domain Of Human Stem Cell Transcription Factor Sox2" . . . . . 100.00 81 100.00 100.00 5.25e-51 . . . . 17691 1 4 no DBJ BAA09168 . "SOX-2 [Gallus gallus]" . . . . . 98.77 312 98.75 98.75 5.16e-49 . . . . 17691 1 5 no DBJ BAC55017 . "Sox family of transcription factor [Halocynthia roretzi]" . . . . . 96.30 360 97.44 98.72 1.75e-42 . . . . 17691 1 6 no DBJ BAC67545 . "SOX2 [Gallus gallus]" . . . . . 98.77 315 98.75 98.75 5.43e-49 . . . . 17691 1 7 no DBJ BAC75668 . "transcriptional factor SOX2 [Mus musculus]" . . . . . 98.77 319 100.00 100.00 6.32e-50 . . . . 17691 1 8 no DBJ BAE20882 . "unnamed protein product [Mus musculus]" . . . . . 85.19 268 100.00 100.00 5.93e-41 . . . . 17691 1 9 no EMBL CAA63847 . "SOX2 protein [Mus musculus]" . . . . . 98.77 319 100.00 100.00 6.32e-50 . . . . 17691 1 10 no EMBL CAA65725 . "SOX-2 protein [Ovis aries]" . . . . . 98.77 320 100.00 100.00 6.27e-50 . . . . 17691 1 11 no EMBL CAA80631 . "sox, partial [Larus fuscus]" . . . . . 69.14 56 98.21 98.21 3.25e-30 . . . . 17691 1 12 no EMBL CAA83435 . "sox-2 [Homo sapiens]" . . . . . 98.77 321 100.00 100.00 7.14e-50 . . . . 17691 1 13 no EMBL CAF91617 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 98.77 322 97.50 98.75 1.77e-48 . . . . 17691 1 14 no GB AAA35997 . "putative, partial [Homo sapiens]" . . . . . 98.77 327 100.00 100.00 9.57e-50 . . . . 17691 1 15 no GB AAB09662 . "Sox2 transcription factor [Gallus gallus]" . . . . . 98.77 315 98.75 98.75 5.43e-49 . . . . 17691 1 16 no GB AAB62821 . "XlSOX-2 [Xenopus laevis]" . . . . . 98.77 311 98.75 98.75 4.38e-49 . . . . 17691 1 17 no GB AAC14215 . "Sry-related HMG factor [Xenopus laevis]" . . . . . 98.77 311 98.75 98.75 5.49e-49 . . . . 17691 1 18 no GB AAC31791 . "high mobility group box protein SOX2 [Mus musculus]" . . . . . 98.77 319 100.00 100.00 6.18e-50 . . . . 17691 1 19 no PRF 1612347C . "Sra2 gene" . . . . . 98.77 98 100.00 100.00 2.17e-50 . . . . 17691 1 20 no REF NP_001081691 . "transcription factor Sox-2 [Xenopus laevis]" . . . . . 98.77 311 98.75 98.75 4.38e-49 . . . . 17691 1 21 no REF NP_001098933 . "transcription factor SOX-2 [Bos taurus]" . . . . . 98.77 320 100.00 100.00 6.27e-50 . . . . 17691 1 22 no REF NP_001102651 . "transcription factor SOX-2 [Rattus norvegicus]" . . . . . 98.77 319 100.00 100.00 6.32e-50 . . . . 17691 1 23 no REF NP_001116669 . "transcription factor SOX-2 [Sus scrofa]" . . . . . 98.77 319 98.75 100.00 2.36e-49 . . . . 17691 1 24 no REF NP_001135190 . "Transcription factor Sox-2 [Salmo salar]" . . . . . 98.77 315 98.75 100.00 2.05e-49 . . . . 17691 1 25 no SP O42569 . "RecName: Full=Transcription factor Sox-2; Short=XSox2; Short=XlSox-2; AltName: Full=SRY (sex determining region Y)-box 2" . . . . . 98.77 311 98.75 98.75 4.38e-49 . . . . 17691 1 26 no SP P48430 . "RecName: Full=Transcription factor SOX-2; Short=cSox2; AltName: Full=delta EF2a" . . . . . 98.77 315 98.75 98.75 5.43e-49 . . . . 17691 1 27 no SP P48431 . "RecName: Full=Transcription factor SOX-2" . . . . . 98.77 317 100.00 100.00 7.30e-50 . . . . 17691 1 28 no SP P48432 . "RecName: Full=Transcription factor SOX-2" . . . . . 98.77 319 100.00 100.00 6.18e-50 . . . . 17691 1 29 no SP P54231 . "RecName: Full=Transcription factor SOX-2" . . . . . 98.77 320 100.00 100.00 6.27e-50 . . . . 17691 1 30 no TPG DAA33313 . "TPA: SRY (sex determining region Y)-box 2 [Bos taurus]" . . . . . 98.77 320 100.00 100.00 6.27e-50 . . . . 17691 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 . SER . 17691 1 2 . ASP . 17691 1 3 . ARG . 17691 1 4 . VAL . 17691 1 5 . LYS . 17691 1 6 . ARG . 17691 1 7 . PRO . 17691 1 8 . MET . 17691 1 9 . ASN . 17691 1 10 . ALA . 17691 1 11 . PHE . 17691 1 12 . MET . 17691 1 13 . VAL . 17691 1 14 . TRP . 17691 1 15 . SER . 17691 1 16 . ARG . 17691 1 17 . GLY . 17691 1 18 . GLN . 17691 1 19 . ARG . 17691 1 20 . ARG . 17691 1 21 . LYS . 17691 1 22 . MET . 17691 1 23 . ALA . 17691 1 24 . GLN . 17691 1 25 . GLU . 17691 1 26 . ASN . 17691 1 27 . PRO . 17691 1 28 . LYS . 17691 1 29 . MET . 17691 1 30 . HIS . 17691 1 31 . ASN . 17691 1 32 . SER . 17691 1 33 . GLU . 17691 1 34 . ILE . 17691 1 35 . SER . 17691 1 36 . LYS . 17691 1 37 . ARG . 17691 1 38 . LEU . 17691 1 39 . GLY . 17691 1 40 . ALA . 17691 1 41 . GLU . 17691 1 42 . TRP . 17691 1 43 . LYS . 17691 1 44 . LEU . 17691 1 45 . LEU . 17691 1 46 . SER . 17691 1 47 . GLU . 17691 1 48 . THR . 17691 1 49 . GLU . 17691 1 50 . LYS . 17691 1 51 . ARG . 17691 1 52 . PRO . 17691 1 53 . PHE . 17691 1 54 . ILE . 17691 1 55 . ASP . 17691 1 56 . GLU . 17691 1 57 . ALA . 17691 1 58 . LYS . 17691 1 59 . ARG . 17691 1 60 . LEU . 17691 1 61 . ARG . 17691 1 62 . ALA . 17691 1 63 . LEU . 17691 1 64 . HIS . 17691 1 65 . MET . 17691 1 66 . LYS . 17691 1 67 . GLU . 17691 1 68 . HIS . 17691 1 69 . PRO . 17691 1 70 . ASP . 17691 1 71 . TYR . 17691 1 72 . LYS . 17691 1 73 . TYR . 17691 1 74 . ARG . 17691 1 75 . PRO . 17691 1 76 . ARG . 17691 1 77 . ARG . 17691 1 78 . LYS . 17691 1 79 . THR . 17691 1 80 . LYS . 17691 1 81 . THR . 17691 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 . SER 1 1 17691 1 . ASP 2 2 17691 1 . ARG 3 3 17691 1 . VAL 4 4 17691 1 . LYS 5 5 17691 1 . ARG 6 6 17691 1 . PRO 7 7 17691 1 . MET 8 8 17691 1 . ASN 9 9 17691 1 . ALA 10 10 17691 1 . PHE 11 11 17691 1 . MET 12 12 17691 1 . VAL 13 13 17691 1 . TRP 14 14 17691 1 . SER 15 15 17691 1 . ARG 16 16 17691 1 . GLY 17 17 17691 1 . GLN 18 18 17691 1 . ARG 19 19 17691 1 . ARG 20 20 17691 1 . LYS 21 21 17691 1 . MET 22 22 17691 1 . ALA 23 23 17691 1 . GLN 24 24 17691 1 . GLU 25 25 17691 1 . ASN 26 26 17691 1 . PRO 27 27 17691 1 . LYS 28 28 17691 1 . MET 29 29 17691 1 . HIS 30 30 17691 1 . ASN 31 31 17691 1 . SER 32 32 17691 1 . GLU 33 33 17691 1 . ILE 34 34 17691 1 . SER 35 35 17691 1 . LYS 36 36 17691 1 . ARG 37 37 17691 1 . LEU 38 38 17691 1 . GLY 39 39 17691 1 . ALA 40 40 17691 1 . GLU 41 41 17691 1 . TRP 42 42 17691 1 . LYS 43 43 17691 1 . LEU 44 44 17691 1 . LEU 45 45 17691 1 . SER 46 46 17691 1 . GLU 47 47 17691 1 . THR 48 48 17691 1 . GLU 49 49 17691 1 . LYS 50 50 17691 1 . ARG 51 51 17691 1 . PRO 52 52 17691 1 . PHE 53 53 17691 1 . ILE 54 54 17691 1 . ASP 55 55 17691 1 . GLU 56 56 17691 1 . ALA 57 57 17691 1 . LYS 58 58 17691 1 . ARG 59 59 17691 1 . LEU 60 60 17691 1 . ARG 61 61 17691 1 . ALA 62 62 17691 1 . LEU 63 63 17691 1 . HIS 64 64 17691 1 . MET 65 65 17691 1 . LYS 66 66 17691 1 . GLU 67 67 17691 1 . HIS 68 68 17691 1 . PRO 69 69 17691 1 . ASP 70 70 17691 1 . TYR 71 71 17691 1 . LYS 72 72 17691 1 . TYR 73 73 17691 1 . ARG 74 74 17691 1 . PRO 75 75 17691 1 . ARG 76 76 17691 1 . ARG 77 77 17691 1 . LYS 78 78 17691 1 . THR 79 79 17691 1 . LYS 80 80 17691 1 . THR 81 81 17691 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 17691 _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 $Sox2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17691 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 17691 _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 $Sox2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pEU-HIS . . . . . . 17691 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17691 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM nanog U-15N/13C, 10 mM MOPS, 5 mM Dithiothreitol, 100 mM NaCl' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O, 5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Sox2 '[U-100% 13C; U-100% 15N]' . . 1 $Sox2 . . 0.7 . . mM 0.02 . . . 17691 1 2 DTT 'natural abundance' . . . . . . 5 . . % 0.05 . . . 17691 1 3 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 17691 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 17691 1 5 H20 'natural abundance' . . . . . . 95 . . % . . . . 17691 1 6 D20 'natural abundance' . . . . . . 5 . . % . . . . 17691 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17691 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 17691 1 pH 6.7 . pH 17691 1 pressure 1 . atm 17691 1 temperature 298 . K 17691 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17691 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 17691 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17691 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17691 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17691 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . . . 17691 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 17691 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17691 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17691 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17691 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_ref1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode ref1 _Chem_shift_reference.Entry_ID 17691 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'using gamma ratios' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17691 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17691 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17691 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_sox2Asn _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode sox2Asn _Assigned_chem_shift_list.Entry_ID 17691 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $ref1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 na _Assigned_chem_shift_list.Details na _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 3D_15N-separated_NOESY . . . 17691 1 2 3D_13C-separated_NOESY . . . 17691 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 17691 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 1H' 2 0 0 17691 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.510 0.020 . 1 . . . . 1 SER HA . 17691 1 2 . 1 1 1 1 SER HB2 H 1 3.875 0.020 . 2 . . . . 1 SER HB2 . 17691 1 3 . 1 1 1 1 SER HB3 H 1 3.870 0.020 . 2 . . . . 1 SER HB3 . 17691 1 4 . 1 1 1 1 SER CA C 13 57.159 0.400 . 1 . . . . 1 SER CA . 17691 1 5 . 1 1 1 1 SER CB C 13 69.697 0.400 . 1 . . . . 1 SER CB . 17691 1 6 . 1 1 2 2 ASP HA H 1 4.651 0.020 . 1 . . . . 2 ASP HA . 17691 1 7 . 1 1 2 2 ASP HB2 H 1 2.592 0.020 . 2 . . . . 2 ASP HB2 . 17691 1 8 . 1 1 2 2 ASP HB3 H 1 2.694 0.020 . 2 . . . . 2 ASP HB3 . 17691 1 9 . 1 1 2 2 ASP C C 13 175.913 0.400 . 1 . . . . 2 ASP C . 17691 1 10 . 1 1 2 2 ASP CA C 13 54.239 0.400 . 1 . . . . 2 ASP CA . 17691 1 11 . 1 1 2 2 ASP CB C 13 41.055 0.400 . 1 . . . . 2 ASP CB . 17691 1 12 . 1 1 2 2 ASP N N 15 118.843 0.400 . 1 . . . . 2 ASP N . 17691 1 13 . 1 1 3 3 ARG HA H 1 4.278 0.020 . 1 . . . . 3 ARG HA . 17691 1 14 . 1 1 3 3 ARG HB2 H 1 1.740 0.020 . 2 . . . . 3 ARG HB2 . 17691 1 15 . 1 1 3 3 ARG HB3 H 1 1.794 0.020 . 2 . . . . 3 ARG HB3 . 17691 1 16 . 1 1 3 3 ARG HG2 H 1 1.573 0.020 . 2 . . . . 3 ARG HG2 . 17691 1 17 . 1 1 3 3 ARG HG3 H 1 1.609 0.020 . 2 . . . . 3 ARG HG3 . 17691 1 18 . 1 1 3 3 ARG HD2 H 1 3.188 0.020 . 2 . . . . 3 ARG HD2 . 17691 1 19 . 1 1 3 3 ARG HD3 H 1 3.147 0.020 . 2 . . . . 3 ARG HD3 . 17691 1 20 . 1 1 3 3 ARG C C 13 176.171 0.400 . 1 . . . . 3 ARG C . 17691 1 21 . 1 1 3 3 ARG CA C 13 56.148 0.400 . 1 . . . . 3 ARG CA . 17691 1 22 . 1 1 3 3 ARG CB C 13 30.596 0.400 . 1 . . . . 3 ARG CB . 17691 1 23 . 1 1 3 3 ARG CG C 13 27.087 0.400 . 1 . . . . 3 ARG CG . 17691 1 24 . 1 1 3 3 ARG CD C 13 43.028 0.400 . 1 . . . . 3 ARG CD . 17691 1 25 . 1 1 3 3 ARG N N 15 121.675 0.400 . 1 . . . . 3 ARG N . 17691 1 26 . 1 1 4 4 VAL HA H 1 4.001 0.020 . 1 . . . . 4 VAL HA . 17691 1 27 . 1 1 4 4 VAL HB H 1 1.974 0.020 . 1 . . . . 4 VAL HB . 17691 1 28 . 1 1 4 4 VAL HG11 H 1 0.860 0.020 . 2 . . . . 4 VAL HG11 . 17691 1 29 . 1 1 4 4 VAL HG12 H 1 0.860 0.020 . 2 . . . . 4 VAL HG12 . 17691 1 30 . 1 1 4 4 VAL HG13 H 1 0.860 0.020 . 2 . . . . 4 VAL HG13 . 17691 1 31 . 1 1 4 4 VAL HG21 H 1 0.877 0.020 . 2 . . . . 4 VAL HG21 . 17691 1 32 . 1 1 4 4 VAL HG22 H 1 0.877 0.020 . 2 . . . . 4 VAL HG22 . 17691 1 33 . 1 1 4 4 VAL HG23 H 1 0.877 0.020 . 2 . . . . 4 VAL HG23 . 17691 1 34 . 1 1 4 4 VAL C C 13 175.866 0.400 . 1 . . . . 4 VAL C . 17691 1 35 . 1 1 4 4 VAL CA C 13 62.301 0.400 . 1 . . . . 4 VAL CA . 17691 1 36 . 1 1 4 4 VAL CB C 13 32.516 0.400 . 1 . . . . 4 VAL CB . 17691 1 37 . 1 1 4 4 VAL CG1 C 13 20.690 0.400 . 1 . . . . 4 VAL CG1 . 17691 1 38 . 1 1 4 4 VAL CG2 C 13 20.848 0.400 . 1 . . . . 4 VAL CG2 . 17691 1 39 . 1 1 4 4 VAL N N 15 121.849 0.400 . 1 . . . . 4 VAL N . 17691 1 40 . 1 1 5 5 LYS HA H 1 4.282 0.020 . 1 . . . . 5 LYS HA . 17691 1 41 . 1 1 5 5 LYS HB2 H 1 1.718 0.020 . 2 . . . . 5 LYS HB2 . 17691 1 42 . 1 1 5 5 LYS HB3 H 1 1.749 0.020 . 2 . . . . 5 LYS HB3 . 17691 1 43 . 1 1 5 5 LYS HG2 H 1 1.411 0.020 . 2 . . . . 5 LYS HG2 . 17691 1 44 . 1 1 5 5 LYS HG3 H 1 1.650 0.020 . 2 . . . . 5 LYS HG3 . 17691 1 45 . 1 1 5 5 LYS HD2 H 1 1.615 0.020 . 2 . . . . 5 LYS HD2 . 17691 1 46 . 1 1 5 5 LYS HD3 H 1 1.610 0.020 . 2 . . . . 5 LYS HD3 . 17691 1 47 . 1 1 5 5 LYS HE2 H 1 2.971 0.020 . 2 . . . . 5 LYS HE2 . 17691 1 48 . 1 1 5 5 LYS HE3 H 1 2.930 0.020 . 2 . . . . 5 LYS HE3 . 17691 1 49 . 1 1 5 5 LYS C C 13 176.233 0.400 . 1 . . . . 5 LYS C . 17691 1 50 . 1 1 5 5 LYS CA C 13 56.115 0.400 . 1 . . . . 5 LYS CA . 17691 1 51 . 1 1 5 5 LYS CB C 13 32.650 0.400 . 1 . . . . 5 LYS CB . 17691 1 52 . 1 1 5 5 LYS CG C 13 24.865 0.400 . 1 . . . . 5 LYS CG . 17691 1 53 . 1 1 5 5 LYS CD C 13 29.559 0.400 . 1 . . . . 5 LYS CD . 17691 1 54 . 1 1 5 5 LYS CE C 13 41.893 0.400 . 1 . . . . 5 LYS CE . 17691 1 55 . 1 1 5 5 LYS N N 15 126.382 0.400 . 1 . . . . 5 LYS N . 17691 1 56 . 1 1 6 6 ARG HA H 1 3.994 0.020 . 1 . . . . 6 ARG HA . 17691 1 57 . 1 1 6 6 ARG HB2 H 1 1.617 0.020 . 2 . . . . 6 ARG HB2 . 17691 1 58 . 1 1 6 6 ARG HB3 H 1 1.758 0.020 . 2 . . . . 6 ARG HB3 . 17691 1 59 . 1 1 6 6 ARG HG2 H 1 1.596 0.020 . 2 . . . . 6 ARG HG2 . 17691 1 60 . 1 1 6 6 ARG HG3 H 1 1.580 0.020 . 2 . . . . 6 ARG HG3 . 17691 1 61 . 1 1 6 6 ARG HD2 H 1 3.142 0.020 . 2 . . . . 6 ARG HD2 . 17691 1 62 . 1 1 6 6 ARG HD3 H 1 3.094 0.020 . 2 . . . . 6 ARG HD3 . 17691 1 63 . 1 1 6 6 ARG CA C 13 53.568 0.400 . 1 . . . . 6 ARG CA . 17691 1 64 . 1 1 6 6 ARG CB C 13 30.020 0.400 . 1 . . . . 6 ARG CB . 17691 1 65 . 1 1 6 6 ARG CG C 13 27.169 0.400 . 1 . . . . 6 ARG CG . 17691 1 66 . 1 1 6 6 ARG CD C 13 43.614 0.400 . 1 . . . . 6 ARG CD . 17691 1 67 . 1 1 6 6 ARG N N 15 123.296 0.400 . 1 . . . . 6 ARG N . 17691 1 68 . 1 1 7 7 PRO HA H 1 4.324 0.020 . 1 . . . . 7 PRO HA . 17691 1 69 . 1 1 7 7 PRO HB2 H 1 2.070 0.020 . 2 . . . . 7 PRO HB2 . 17691 1 70 . 1 1 7 7 PRO HB3 H 1 1.780 0.020 . 2 . . . . 7 PRO HB3 . 17691 1 71 . 1 1 7 7 PRO HG2 H 1 1.953 0.020 . 2 . . . . 7 PRO HG2 . 17691 1 72 . 1 1 7 7 PRO HG3 H 1 1.968 0.020 . 2 . . . . 7 PRO HG3 . 17691 1 73 . 1 1 7 7 PRO HD2 H 1 3.549 0.020 . 2 . . . . 7 PRO HD2 . 17691 1 74 . 1 1 7 7 PRO HD3 H 1 3.352 0.020 . 2 . . . . 7 PRO HD3 . 17691 1 75 . 1 1 7 7 PRO C C 13 176.264 0.400 . 1 . . . . 7 PRO C . 17691 1 76 . 1 1 7 7 PRO CA C 13 62.453 0.400 . 1 . . . . 7 PRO CA . 17691 1 77 . 1 1 7 7 PRO CB C 13 31.557 0.400 . 1 . . . . 7 PRO CB . 17691 1 78 . 1 1 7 7 PRO CG C 13 27.144 0.400 . 1 . . . . 7 PRO CG . 17691 1 79 . 1 1 7 7 PRO CD C 13 49.976 0.400 . 1 . . . . 7 PRO CD . 17691 1 80 . 1 1 8 8 MET HA H 1 4.471 0.020 . 1 . . . . 8 MET HA . 17691 1 81 . 1 1 8 8 MET HB2 H 1 1.888 0.020 . 2 . . . . 8 MET HB2 . 17691 1 82 . 1 1 8 8 MET HB3 H 1 1.975 0.020 . 2 . . . . 8 MET HB3 . 17691 1 83 . 1 1 8 8 MET HG2 H 1 2.603 0.020 . 2 . . . . 8 MET HG2 . 17691 1 84 . 1 1 8 8 MET HG3 H 1 2.534 0.020 . 2 . . . . 8 MET HG3 . 17691 1 85 . 1 1 8 8 MET HE1 H 1 2.098 0.020 . 1 . . . . 8 MET HE1 . 17691 1 86 . 1 1 8 8 MET HE2 H 1 2.098 0.020 . 1 . . . . 8 MET HE2 . 17691 1 87 . 1 1 8 8 MET HE3 H 1 2.098 0.020 . 1 . . . . 8 MET HE3 . 17691 1 88 . 1 1 8 8 MET C C 13 175.348 0.400 . 1 . . . . 8 MET C . 17691 1 89 . 1 1 8 8 MET CA C 13 55.786 0.400 . 1 . . . . 8 MET CA . 17691 1 90 . 1 1 8 8 MET CB C 13 32.465 0.400 . 1 . . . . 8 MET CB . 17691 1 91 . 1 1 8 8 MET CG C 13 32.393 0.400 . 1 . . . . 8 MET CG . 17691 1 92 . 1 1 8 8 MET CE C 13 17.109 0.400 . 1 . . . . 8 MET CE . 17691 1 93 . 1 1 8 8 MET N N 15 120.952 0.400 . 1 . . . . 8 MET N . 17691 1 94 . 1 1 9 9 ASN HA H 1 4.777 0.020 . 1 . . . . 9 ASN HA . 17691 1 95 . 1 1 9 9 ASN HB2 H 1 2.932 0.020 . 2 . . . . 9 ASN HB2 . 17691 1 96 . 1 1 9 9 ASN HB3 H 1 3.397 0.020 . 2 . . . . 9 ASN HB3 . 17691 1 97 . 1 1 9 9 ASN HD21 H 1 7.534 0.020 . 1 . . . . 9 ASN HD21 . 17691 1 98 . 1 1 9 9 ASN HD22 H 1 6.993 0.020 . 1 . . . . 9 ASN HD22 . 17691 1 99 . 1 1 9 9 ASN C C 13 174.710 0.400 . 1 . . . . 9 ASN C . 17691 1 100 . 1 1 9 9 ASN CA C 13 51.094 0.400 . 1 . . . . 9 ASN CA . 17691 1 101 . 1 1 9 9 ASN CB C 13 39.793 0.400 . 1 . . . . 9 ASN CB . 17691 1 102 . 1 1 9 9 ASN N N 15 119.985 0.400 . 1 . . . . 9 ASN N . 17691 1 103 . 1 1 9 9 ASN ND2 N 15 111.227 0.400 . 1 . . . . 9 ASN ND2 . 17691 1 104 . 1 1 10 10 ALA HA H 1 3.923 0.020 . 1 . . . . 10 ALA HA . 17691 1 105 . 1 1 10 10 ALA HB1 H 1 1.680 0.020 . 1 . . . . 10 ALA HB1 . 17691 1 106 . 1 1 10 10 ALA HB2 H 1 1.680 0.020 . 1 . . . . 10 ALA HB2 . 17691 1 107 . 1 1 10 10 ALA HB3 H 1 1.680 0.020 . 1 . . . . 10 ALA HB3 . 17691 1 108 . 1 1 10 10 ALA C C 13 177.482 0.400 . 1 . . . . 10 ALA C . 17691 1 109 . 1 1 10 10 ALA CA C 13 55.910 0.400 . 1 . . . . 10 ALA CA . 17691 1 110 . 1 1 10 10 ALA CB C 13 19.580 0.400 . 1 . . . . 10 ALA CB . 17691 1 111 . 1 1 10 10 ALA N N 15 121.997 0.400 . 1 . . . . 10 ALA N . 17691 1 112 . 1 1 11 11 PHE HA H 1 4.333 0.020 . 1 . . . . 11 PHE HA . 17691 1 113 . 1 1 11 11 PHE HB2 H 1 2.765 0.020 . 2 . . . . 11 PHE HB2 . 17691 1 114 . 1 1 11 11 PHE HB3 H 1 2.725 0.020 . 2 . . . . 11 PHE HB3 . 17691 1 115 . 1 1 11 11 PHE HD1 H 1 6.407 0.020 . 1 . . . . 11 PHE HD1 . 17691 1 116 . 1 1 11 11 PHE HD2 H 1 6.407 0.020 . 1 . . . . 11 PHE HD2 . 17691 1 117 . 1 1 11 11 PHE HE1 H 1 7.227 0.020 . 1 . . . . 11 PHE HE1 . 17691 1 118 . 1 1 11 11 PHE HE2 H 1 7.227 0.020 . 1 . . . . 11 PHE HE2 . 17691 1 119 . 1 1 11 11 PHE HZ H 1 7.219 0.020 . 1 . . . . 11 PHE HZ . 17691 1 120 . 1 1 11 11 PHE C C 13 178.569 0.400 . 1 . . . . 11 PHE C . 17691 1 121 . 1 1 11 11 PHE CA C 13 59.799 0.400 . 1 . . . . 11 PHE CA . 17691 1 122 . 1 1 11 11 PHE CB C 13 38.000 0.400 . 1 . . . . 11 PHE CB . 17691 1 123 . 1 1 11 11 PHE CD1 C 13 131.882 0.400 . 1 . . . . 11 PHE CD1 . 17691 1 124 . 1 1 11 11 PHE CE1 C 13 130.880 0.400 . 1 . . . . 11 PHE CE1 . 17691 1 125 . 1 1 11 11 PHE CZ C 13 129.210 0.400 . 1 . . . . 11 PHE CZ . 17691 1 126 . 1 1 11 11 PHE N N 15 118.296 0.400 . 1 . . . . 11 PHE N . 17691 1 127 . 1 1 12 12 MET HA H 1 3.637 0.020 . 1 . . . . 12 MET HA . 17691 1 128 . 1 1 12 12 MET HB2 H 1 2.162 0.020 . 2 . . . . 12 MET HB2 . 17691 1 129 . 1 1 12 12 MET HB3 H 1 2.109 0.020 . 2 . . . . 12 MET HB3 . 17691 1 130 . 1 1 12 12 MET HG2 H 1 2.628 0.020 . 2 . . . . 12 MET HG2 . 17691 1 131 . 1 1 12 12 MET HG3 H 1 2.830 0.020 . 2 . . . . 12 MET HG3 . 17691 1 132 . 1 1 12 12 MET HE1 H 1 1.759 0.020 . 1 . . . . 12 MET HE1 . 17691 1 133 . 1 1 12 12 MET HE2 H 1 1.759 0.020 . 1 . . . . 12 MET HE2 . 17691 1 134 . 1 1 12 12 MET HE3 H 1 1.759 0.020 . 1 . . . . 12 MET HE3 . 17691 1 135 . 1 1 12 12 MET C C 13 178.582 0.400 . 1 . . . . 12 MET C . 17691 1 136 . 1 1 12 12 MET CA C 13 58.695 0.400 . 1 . . . . 12 MET CA . 17691 1 137 . 1 1 12 12 MET CB C 13 33.013 0.400 . 1 . . . . 12 MET CB . 17691 1 138 . 1 1 12 12 MET CG C 13 32.433 0.400 . 1 . . . . 12 MET CG . 17691 1 139 . 1 1 12 12 MET CE C 13 16.629 0.400 . 1 . . . . 12 MET CE . 17691 1 140 . 1 1 12 12 MET N N 15 121.709 0.400 . 1 . . . . 12 MET N . 17691 1 141 . 1 1 13 13 VAL HA H 1 3.563 0.020 . 1 . . . . 13 VAL HA . 17691 1 142 . 1 1 13 13 VAL HB H 1 2.472 0.020 . 1 . . . . 13 VAL HB . 17691 1 143 . 1 1 13 13 VAL HG11 H 1 1.248 0.020 . 2 . . . . 13 VAL HG11 . 17691 1 144 . 1 1 13 13 VAL HG12 H 1 1.248 0.020 . 2 . . . . 13 VAL HG12 . 17691 1 145 . 1 1 13 13 VAL HG13 H 1 1.248 0.020 . 2 . . . . 13 VAL HG13 . 17691 1 146 . 1 1 13 13 VAL HG21 H 1 1.066 0.020 . 2 . . . . 13 VAL HG21 . 17691 1 147 . 1 1 13 13 VAL HG22 H 1 1.066 0.020 . 2 . . . . 13 VAL HG22 . 17691 1 148 . 1 1 13 13 VAL HG23 H 1 1.066 0.020 . 2 . . . . 13 VAL HG23 . 17691 1 149 . 1 1 13 13 VAL CA C 13 66.518 0.400 . 1 . . . . 13 VAL CA . 17691 1 150 . 1 1 13 13 VAL CB C 13 32.170 0.400 . 1 . . . . 13 VAL CB . 17691 1 151 . 1 1 13 13 VAL CG1 C 13 22.297 0.400 . 1 . . . . 13 VAL CG1 . 17691 1 152 . 1 1 13 13 VAL CG2 C 13 23.027 0.400 . 1 . . . . 13 VAL CG2 . 17691 1 153 . 1 1 13 13 VAL N N 15 119.989 0.400 . 1 . . . . 13 VAL N . 17691 1 154 . 1 1 14 14 TRP HA H 1 3.620 0.020 . 1 . . . . 14 TRP HA . 17691 1 155 . 1 1 14 14 TRP HB2 H 1 2.285 0.020 . 2 . . . . 14 TRP HB2 . 17691 1 156 . 1 1 14 14 TRP HB3 H 1 2.709 0.020 . 2 . . . . 14 TRP HB3 . 17691 1 157 . 1 1 14 14 TRP HD1 H 1 7.160 0.020 . 1 . . . . 14 TRP HD1 . 17691 1 158 . 1 1 14 14 TRP HE3 H 1 6.947 0.020 . 1 . . . . 14 TRP HE3 . 17691 1 159 . 1 1 14 14 TRP HZ2 H 1 7.140 0.020 . 1 . . . . 14 TRP HZ2 . 17691 1 160 . 1 1 14 14 TRP HZ3 H 1 7.181 0.020 . 1 . . . . 14 TRP HZ3 . 17691 1 161 . 1 1 14 14 TRP HH2 H 1 7.423 0.020 . 1 . . . . 14 TRP HH2 . 17691 1 162 . 1 1 14 14 TRP C C 13 178.314 0.400 . 1 . . . . 14 TRP C . 17691 1 163 . 1 1 14 14 TRP CA C 13 61.149 0.400 . 1 . . . . 14 TRP CA . 17691 1 164 . 1 1 14 14 TRP CB C 13 29.354 0.400 . 1 . . . . 14 TRP CB . 17691 1 165 . 1 1 14 14 TRP CD1 C 13 127.680 0.400 . 1 . . . . 14 TRP CD1 . 17691 1 166 . 1 1 14 14 TRP CE3 C 13 120.335 0.400 . 1 . . . . 14 TRP CE3 . 17691 1 167 . 1 1 14 14 TRP CZ2 C 13 114.213 0.400 . 1 . . . . 14 TRP CZ2 . 17691 1 168 . 1 1 14 14 TRP CZ3 C 13 122.405 0.400 . 1 . . . . 14 TRP CZ3 . 17691 1 169 . 1 1 14 14 TRP CH2 C 13 124.316 0.400 . 1 . . . . 14 TRP CH2 . 17691 1 170 . 1 1 14 14 TRP N N 15 122.034 0.400 . 1 . . . . 14 TRP N . 17691 1 171 . 1 1 15 15 SER HA H 1 3.008 0.020 . 1 . . . . 15 SER HA . 17691 1 172 . 1 1 15 15 SER HB2 H 1 3.170 0.020 . 2 . . . . 15 SER HB2 . 17691 1 173 . 1 1 15 15 SER HB3 H 1 3.426 0.020 . 2 . . . . 15 SER HB3 . 17691 1 174 . 1 1 15 15 SER C C 13 175.106 0.400 . 1 . . . . 15 SER C . 17691 1 175 . 1 1 15 15 SER CA C 13 61.527 0.400 . 1 . . . . 15 SER CA . 17691 1 176 . 1 1 15 15 SER CB C 13 62.842 0.400 . 1 . . . . 15 SER CB . 17691 1 177 . 1 1 15 15 SER N N 15 113.240 0.400 . 1 . . . . 15 SER N . 17691 1 178 . 1 1 16 16 ARG HA H 1 3.880 0.020 . 1 . . . . 16 ARG HA . 17691 1 179 . 1 1 16 16 ARG HB2 H 1 1.954 0.020 . 2 . . . . 16 ARG HB2 . 17691 1 180 . 1 1 16 16 ARG HB3 H 1 1.798 0.020 . 2 . . . . 16 ARG HB3 . 17691 1 181 . 1 1 16 16 ARG HG2 H 1 1.657 0.020 . 2 . . . . 16 ARG HG2 . 17691 1 182 . 1 1 16 16 ARG HG3 H 1 1.566 0.020 . 2 . . . . 16 ARG HG3 . 17691 1 183 . 1 1 16 16 ARG HD2 H 1 3.117 0.020 . 2 . . . . 16 ARG HD2 . 17691 1 184 . 1 1 16 16 ARG HD3 H 1 3.164 0.020 . 2 . . . . 16 ARG HD3 . 17691 1 185 . 1 1 16 16 ARG C C 13 178.769 0.400 . 1 . . . . 16 ARG C . 17691 1 186 . 1 1 16 16 ARG CA C 13 59.555 0.400 . 1 . . . . 16 ARG CA . 17691 1 187 . 1 1 16 16 ARG CB C 13 29.618 0.400 . 1 . . . . 16 ARG CB . 17691 1 188 . 1 1 16 16 ARG CG C 13 26.573 0.400 . 1 . . . . 16 ARG CG . 17691 1 189 . 1 1 16 16 ARG CD C 13 43.100 0.400 . 1 . . . . 16 ARG CD . 17691 1 190 . 1 1 16 16 ARG N N 15 122.033 0.400 . 1 . . . . 16 ARG N . 17691 1 191 . 1 1 17 17 GLY HA2 H 1 3.891 0.020 . 1 . . . . 17 GLY HA2 . 17691 1 192 . 1 1 17 17 GLY C C 13 176.252 0.400 . 1 . . . . 17 GLY C . 17691 1 193 . 1 1 17 17 GLY CA C 13 46.024 0.400 . 1 . . . . 17 GLY CA . 17691 1 194 . 1 1 17 17 GLY N N 15 105.042 0.400 . 1 . . . . 17 GLY N . 17691 1 195 . 1 1 18 18 GLN HA H 1 3.825 0.020 . 1 . . . . 18 GLN HA . 17691 1 196 . 1 1 18 18 GLN HB2 H 1 1.265 0.020 . 2 . . . . 18 GLN HB2 . 17691 1 197 . 1 1 18 18 GLN HB3 H 1 0.788 0.020 . 2 . . . . 18 GLN HB3 . 17691 1 198 . 1 1 18 18 GLN HG2 H 1 0.984 0.020 . 2 . . . . 18 GLN HG2 . 17691 1 199 . 1 1 18 18 GLN HG3 H 1 1.373 0.020 . 2 . . . . 18 GLN HG3 . 17691 1 200 . 1 1 18 18 GLN HE21 H 1 7.159 0.020 . 2 . . . . 18 GLN HE21 . 17691 1 201 . 1 1 18 18 GLN HE22 H 1 6.668 0.020 . 2 . . . . 18 GLN HE22 . 17691 1 202 . 1 1 18 18 GLN C C 13 177.801 0.400 . 1 . . . . 18 GLN C . 17691 1 203 . 1 1 18 18 GLN CA C 13 57.116 0.400 . 1 . . . . 18 GLN CA . 17691 1 204 . 1 1 18 18 GLN CB C 13 28.482 0.400 . 1 . . . . 18 GLN CB . 17691 1 205 . 1 1 18 18 GLN CG C 13 31.177 0.400 . 1 . . . . 18 GLN CG . 17691 1 206 . 1 1 18 18 GLN N N 15 120.707 0.400 . 1 . . . . 18 GLN N . 17691 1 207 . 1 1 18 18 GLN NE2 N 15 111.899 0.400 . 1 . . . . 18 GLN NE2 . 17691 1 208 . 1 1 19 19 ARG HA H 1 3.636 0.020 . 1 . . . . 19 ARG HA . 17691 1 209 . 1 1 19 19 ARG HB2 H 1 1.736 0.020 . 2 . . . . 19 ARG HB2 . 17691 1 210 . 1 1 19 19 ARG HB3 H 1 1.672 0.020 . 2 . . . . 19 ARG HB3 . 17691 1 211 . 1 1 19 19 ARG HG2 H 1 1.557 0.020 . 2 . . . . 19 ARG HG2 . 17691 1 212 . 1 1 19 19 ARG HG3 H 1 1.586 0.020 . 2 . . . . 19 ARG HG3 . 17691 1 213 . 1 1 19 19 ARG HD2 H 1 3.151 0.020 . 2 . . . . 19 ARG HD2 . 17691 1 214 . 1 1 19 19 ARG HD3 H 1 3.130 0.020 . 2 . . . . 19 ARG HD3 . 17691 1 215 . 1 1 19 19 ARG C C 13 177.426 0.400 . 1 . . . . 19 ARG C . 17691 1 216 . 1 1 19 19 ARG CA C 13 59.783 0.400 . 1 . . . . 19 ARG CA . 17691 1 217 . 1 1 19 19 ARG CB C 13 29.609 0.400 . 1 . . . . 19 ARG CB . 17691 1 218 . 1 1 19 19 ARG CG C 13 27.025 0.400 . 1 . . . . 19 ARG CG . 17691 1 219 . 1 1 19 19 ARG CD C 13 42.106 0.400 . 1 . . . . 19 ARG CD . 17691 1 220 . 1 1 19 19 ARG N N 15 119.689 0.400 . 1 . . . . 19 ARG N . 17691 1 221 . 1 1 20 20 ARG HA H 1 4.010 0.020 . 1 . . . . 20 ARG HA . 17691 1 222 . 1 1 20 20 ARG HB2 H 1 1.822 0.020 . 2 . . . . 20 ARG HB2 . 17691 1 223 . 1 1 20 20 ARG HB3 H 1 1.788 0.020 . 2 . . . . 20 ARG HB3 . 17691 1 224 . 1 1 20 20 ARG HG2 H 1 1.641 0.020 . 2 . . . . 20 ARG HG2 . 17691 1 225 . 1 1 20 20 ARG HG3 H 1 1.558 0.020 . 2 . . . . 20 ARG HG3 . 17691 1 226 . 1 1 20 20 ARG HD2 H 1 3.176 0.020 . 2 . . . . 20 ARG HD2 . 17691 1 227 . 1 1 20 20 ARG HD3 H 1 3.119 0.020 . 2 . . . . 20 ARG HD3 . 17691 1 228 . 1 1 20 20 ARG C C 13 178.365 0.400 . 1 . . . . 20 ARG C . 17691 1 229 . 1 1 20 20 ARG CA C 13 59.070 0.400 . 1 . . . . 20 ARG CA . 17691 1 230 . 1 1 20 20 ARG CB C 13 29.590 0.400 . 1 . . . . 20 ARG CB . 17691 1 231 . 1 1 20 20 ARG CG C 13 27.503 0.400 . 1 . . . . 20 ARG CG . 17691 1 232 . 1 1 20 20 ARG CD C 13 43.159 0.400 . 1 . . . . 20 ARG CD . 17691 1 233 . 1 1 20 20 ARG N N 15 117.193 0.400 . 1 . . . . 20 ARG N . 17691 1 234 . 1 1 21 21 LYS HA H 1 4.010 0.020 . 1 . . . . 21 LYS HA . 17691 1 235 . 1 1 21 21 LYS HB2 H 1 1.759 0.020 . 2 . . . . 21 LYS HB2 . 17691 1 236 . 1 1 21 21 LYS HB3 H 1 1.699 0.020 . 2 . . . . 21 LYS HB3 . 17691 1 237 . 1 1 21 21 LYS HG2 H 1 1.244 0.020 . 2 . . . . 21 LYS HG2 . 17691 1 238 . 1 1 21 21 LYS HG3 H 1 1.381 0.020 . 2 . . . . 21 LYS HG3 . 17691 1 239 . 1 1 21 21 LYS HD2 H 1 1.582 0.020 . 2 . . . . 21 LYS HD2 . 17691 1 240 . 1 1 21 21 LYS HD3 H 1 1.610 0.020 . 2 . . . . 21 LYS HD3 . 17691 1 241 . 1 1 21 21 LYS HE2 H 1 2.936 0.020 . 2 . . . . 21 LYS HE2 . 17691 1 242 . 1 1 21 21 LYS HE3 H 1 2.912 0.020 . 2 . . . . 21 LYS HE3 . 17691 1 243 . 1 1 21 21 LYS CA C 13 59.172 0.400 . 1 . . . . 21 LYS CA . 17691 1 244 . 1 1 21 21 LYS CB C 13 32.689 0.400 . 1 . . . . 21 LYS CB . 17691 1 245 . 1 1 21 21 LYS CG C 13 24.606 0.400 . 1 . . . . 21 LYS CG . 17691 1 246 . 1 1 21 21 LYS CD C 13 29.149 0.400 . 1 . . . . 21 LYS CD . 17691 1 247 . 1 1 21 21 LYS CE C 13 41.910 0.400 . 1 . . . . 21 LYS CE . 17691 1 248 . 1 1 21 21 LYS N N 15 119.705 0.400 . 1 . . . . 21 LYS N . 17691 1 249 . 1 1 22 22 MET HA H 1 4.031 0.020 . 1 . . . . 22 MET HA . 17691 1 250 . 1 1 22 22 MET HB2 H 1 2.582 0.020 . 2 . . . . 22 MET HB2 . 17691 1 251 . 1 1 22 22 MET HB3 H 1 2.463 0.020 . 2 . . . . 22 MET HB3 . 17691 1 252 . 1 1 22 22 MET HG2 H 1 1.827 0.020 . 2 . . . . 22 MET HG2 . 17691 1 253 . 1 1 22 22 MET HG3 H 1 2.118 0.020 . 2 . . . . 22 MET HG3 . 17691 1 254 . 1 1 22 22 MET HE1 H 1 2.011 0.020 . 1 . . . . 22 MET HE1 . 17691 1 255 . 1 1 22 22 MET HE2 H 1 2.011 0.020 . 1 . . . . 22 MET HE2 . 17691 1 256 . 1 1 22 22 MET HE3 H 1 2.011 0.020 . 1 . . . . 22 MET HE3 . 17691 1 257 . 1 1 22 22 MET C C 13 178.572 0.400 . 1 . . . . 22 MET C . 17691 1 258 . 1 1 22 22 MET CA C 13 59.255 0.400 . 1 . . . . 22 MET CA . 17691 1 259 . 1 1 22 22 MET CB C 13 32.220 0.400 . 1 . . . . 22 MET CB . 17691 1 260 . 1 1 22 22 MET CG C 13 32.788 0.400 . 1 . . . . 22 MET CG . 17691 1 261 . 1 1 22 22 MET CE C 13 17.255 0.400 . 1 . . . . 22 MET CE . 17691 1 262 . 1 1 22 22 MET N N 15 118.108 0.400 . 1 . . . . 22 MET N . 17691 1 263 . 1 1 23 23 ALA HA H 1 4.058 0.020 . 1 . . . . 23 ALA HA . 17691 1 264 . 1 1 23 23 ALA HB1 H 1 1.390 0.020 . 1 . . . . 23 ALA HB1 . 17691 1 265 . 1 1 23 23 ALA HB2 H 1 1.390 0.020 . 1 . . . . 23 ALA HB2 . 17691 1 266 . 1 1 23 23 ALA HB3 H 1 1.390 0.020 . 1 . . . . 23 ALA HB3 . 17691 1 267 . 1 1 23 23 ALA C C 13 179.539 0.400 . 1 . . . . 23 ALA C . 17691 1 268 . 1 1 23 23 ALA CA C 13 54.403 0.400 . 1 . . . . 23 ALA CA . 17691 1 269 . 1 1 23 23 ALA CB C 13 18.150 0.400 . 1 . . . . 23 ALA CB . 17691 1 270 . 1 1 23 23 ALA N N 15 120.771 0.400 . 1 . . . . 23 ALA N . 17691 1 271 . 1 1 24 24 GLN HA H 1 3.992 0.020 . 1 . . . . 24 GLN HA . 17691 1 272 . 1 1 24 24 GLN HB2 H 1 2.154 0.020 . 2 . . . . 24 GLN HB2 . 17691 1 273 . 1 1 24 24 GLN HB3 H 1 2.087 0.020 . 2 . . . . 24 GLN HB3 . 17691 1 274 . 1 1 24 24 GLN HG2 H 1 2.462 0.020 . 2 . . . . 24 GLN HG2 . 17691 1 275 . 1 1 24 24 GLN HG3 H 1 2.374 0.020 . 2 . . . . 24 GLN HG3 . 17691 1 276 . 1 1 24 24 GLN HE21 H 1 7.174 0.020 . 2 . . . . 24 GLN HE21 . 17691 1 277 . 1 1 24 24 GLN HE22 H 1 7.138 0.020 . 2 . . . . 24 GLN HE22 . 17691 1 278 . 1 1 24 24 GLN C C 13 178.077 0.400 . 1 . . . . 24 GLN C . 17691 1 279 . 1 1 24 24 GLN CA C 13 57.930 0.400 . 1 . . . . 24 GLN CA . 17691 1 280 . 1 1 24 24 GLN CB C 13 28.619 0.400 . 1 . . . . 24 GLN CB . 17691 1 281 . 1 1 24 24 GLN CG C 13 33.874 0.400 . 1 . . . . 24 GLN CG . 17691 1 282 . 1 1 24 24 GLN N N 15 116.217 0.400 . 1 . . . . 24 GLN N . 17691 1 283 . 1 1 24 24 GLN NE2 N 15 111.668 0.400 . 1 . . . . 24 GLN NE2 . 17691 1 284 . 1 1 25 25 GLU HA H 1 4.084 0.020 . 1 . . . . 25 GLU HA . 17691 1 285 . 1 1 25 25 GLU HB2 H 1 2.006 0.020 . 1 . . . . 25 GLU HB2 . 17691 1 286 . 1 1 25 25 GLU HB3 H 1 1.948 0.020 . 1 . . . . 25 GLU HB3 . 17691 1 287 . 1 1 25 25 GLU HG2 H 1 2.483 0.020 . 2 . . . . 25 GLU HG2 . 17691 1 288 . 1 1 25 25 GLU HG3 H 1 2.235 0.020 . 2 . . . . 25 GLU HG3 . 17691 1 289 . 1 1 25 25 GLU C C 13 176.439 0.400 . 1 . . . . 25 GLU C . 17691 1 290 . 1 1 25 25 GLU CA C 13 57.383 0.400 . 1 . . . . 25 GLU CA . 17691 1 291 . 1 1 25 25 GLU CB C 13 30.420 0.400 . 1 . . . . 25 GLU CB . 17691 1 292 . 1 1 25 25 GLU CG C 13 36.464 0.400 . 1 . . . . 25 GLU CG . 17691 1 293 . 1 1 25 25 GLU N N 15 116.566 0.400 . 1 . . . . 25 GLU N . 17691 1 294 . 1 1 26 26 ASN HA H 1 5.159 0.020 . 1 . . . . 26 ASN HA . 17691 1 295 . 1 1 26 26 ASN HB2 H 1 2.913 0.020 . 2 . . . . 26 ASN HB2 . 17691 1 296 . 1 1 26 26 ASN HB3 H 1 2.580 0.020 . 2 . . . . 26 ASN HB3 . 17691 1 297 . 1 1 26 26 ASN HD21 H 1 7.678 0.020 . 1 . . . . 26 ASN HD21 . 17691 1 298 . 1 1 26 26 ASN HD22 H 1 7.519 0.020 . 1 . . . . 26 ASN HD22 . 17691 1 299 . 1 1 26 26 ASN CA C 13 50.875 0.400 . 1 . . . . 26 ASN CA . 17691 1 300 . 1 1 26 26 ASN CB C 13 40.083 0.400 . 1 . . . . 26 ASN CB . 17691 1 301 . 1 1 26 26 ASN N N 15 114.776 0.400 . 1 . . . . 26 ASN N . 17691 1 302 . 1 1 26 26 ASN ND2 N 15 116.063 0.400 . 1 . . . . 26 ASN ND2 . 17691 1 303 . 1 1 27 27 PRO HA H 1 4.541 0.020 . 1 . . . . 27 PRO HA . 17691 1 304 . 1 1 27 27 PRO HB2 H 1 1.975 0.020 . 2 . . . . 27 PRO HB2 . 17691 1 305 . 1 1 27 27 PRO HB3 H 1 1.867 0.020 . 2 . . . . 27 PRO HB3 . 17691 1 306 . 1 1 27 27 PRO HG2 H 1 1.940 0.020 . 2 . . . . 27 PRO HG2 . 17691 1 307 . 1 1 27 27 PRO HG3 H 1 2.020 0.020 . 2 . . . . 27 PRO HG3 . 17691 1 308 . 1 1 27 27 PRO HD2 H 1 3.399 0.020 . 2 . . . . 27 PRO HD2 . 17691 1 309 . 1 1 27 27 PRO HD3 H 1 3.671 0.020 . 2 . . . . 27 PRO HD3 . 17691 1 310 . 1 1 27 27 PRO C C 13 177.520 0.400 . 1 . . . . 27 PRO C . 17691 1 311 . 1 1 27 27 PRO CA C 13 64.560 0.400 . 1 . . . . 27 PRO CA . 17691 1 312 . 1 1 27 27 PRO CB C 13 32.088 0.400 . 1 . . . . 27 PRO CB . 17691 1 313 . 1 1 27 27 PRO CG C 13 27.183 0.400 . 1 . . . . 27 PRO CG . 17691 1 314 . 1 1 27 27 PRO CD C 13 50.276 0.400 . 1 . . . . 27 PRO CD . 17691 1 315 . 1 1 28 28 LYS HA H 1 4.302 0.020 . 1 . . . . 28 LYS HA . 17691 1 316 . 1 1 28 28 LYS HB2 H 1 1.745 0.020 . 2 . . . . 28 LYS HB2 . 17691 1 317 . 1 1 28 28 LYS HB3 H 1 1.946 0.020 . 2 . . . . 28 LYS HB3 . 17691 1 318 . 1 1 28 28 LYS HG2 H 1 1.480 0.020 . 2 . . . . 28 LYS HG2 . 17691 1 319 . 1 1 28 28 LYS HG3 H 1 1.371 0.020 . 2 . . . . 28 LYS HG3 . 17691 1 320 . 1 1 28 28 LYS HD2 H 1 1.663 0.020 . 2 . . . . 28 LYS HD2 . 17691 1 321 . 1 1 28 28 LYS HD3 H 1 1.594 0.020 . 2 . . . . 28 LYS HD3 . 17691 1 322 . 1 1 28 28 LYS HE2 H 1 2.981 0.020 . 2 . . . . 28 LYS HE2 . 17691 1 323 . 1 1 28 28 LYS HE3 H 1 2.930 0.020 . 2 . . . . 28 LYS HE3 . 17691 1 324 . 1 1 28 28 LYS C C 13 176.853 0.400 . 1 . . . . 28 LYS C . 17691 1 325 . 1 1 28 28 LYS CA C 13 55.599 0.400 . 1 . . . . 28 LYS CA . 17691 1 326 . 1 1 28 28 LYS CB C 13 31.972 0.400 . 1 . . . . 28 LYS CB . 17691 1 327 . 1 1 28 28 LYS CG C 13 25.229 0.400 . 1 . . . . 28 LYS CG . 17691 1 328 . 1 1 28 28 LYS CD C 13 28.795 0.400 . 1 . . . . 28 LYS CD . 17691 1 329 . 1 1 28 28 LYS CE C 13 41.955 0.400 . 1 . . . . 28 LYS CE . 17691 1 330 . 1 1 28 28 LYS N N 15 116.066 0.400 . 1 . . . . 28 LYS N . 17691 1 331 . 1 1 29 29 MET HA H 1 4.116 0.020 . 1 . . . . 29 MET HA . 17691 1 332 . 1 1 29 29 MET HB2 H 1 1.979 0.020 . 2 . . . . 29 MET HB2 . 17691 1 333 . 1 1 29 29 MET HB3 H 1 1.986 0.020 . 2 . . . . 29 MET HB3 . 17691 1 334 . 1 1 29 29 MET HG2 H 1 1.629 0.020 . 2 . . . . 29 MET HG2 . 17691 1 335 . 1 1 29 29 MET HG3 H 1 2.553 0.020 . 2 . . . . 29 MET HG3 . 17691 1 336 . 1 1 29 29 MET HE1 H 1 1.980 0.020 . 1 . . . . 29 MET HE1 . 17691 1 337 . 1 1 29 29 MET HE2 H 1 1.980 0.020 . 1 . . . . 29 MET HE2 . 17691 1 338 . 1 1 29 29 MET HE3 H 1 1.980 0.020 . 1 . . . . 29 MET HE3 . 17691 1 339 . 1 1 29 29 MET C C 13 175.852 0.400 . 1 . . . . 29 MET C . 17691 1 340 . 1 1 29 29 MET CA C 13 56.586 0.400 . 1 . . . . 29 MET CA . 17691 1 341 . 1 1 29 29 MET CB C 13 34.353 0.400 . 1 . . . . 29 MET CB . 17691 1 342 . 1 1 29 29 MET CG C 13 32.447 0.400 . 1 . . . . 29 MET CG . 17691 1 343 . 1 1 29 29 MET CE C 13 16.960 0.400 . 1 . . . . 29 MET CE . 17691 1 344 . 1 1 29 29 MET N N 15 121.363 0.400 . 1 . . . . 29 MET N . 17691 1 345 . 1 1 30 30 HIS HA H 1 4.314 0.020 . 1 . . . . 30 HIS HA . 17691 1 346 . 1 1 30 30 HIS HB2 H 1 1.761 0.020 . 2 . . . . 30 HIS HB2 . 17691 1 347 . 1 1 30 30 HIS HB3 H 1 1.771 0.020 . 2 . . . . 30 HIS HB3 . 17691 1 348 . 1 1 30 30 HIS HD2 H 1 7.260 0.020 . 1 . . . . 30 HIS HD2 . 17691 1 349 . 1 1 30 30 HIS HE1 H 1 8.080 0.020 . 1 . . . . 30 HIS HE1 . 17691 1 350 . 1 1 30 30 HIS C C 13 176.054 0.400 . 1 . . . . 30 HIS C . 17691 1 351 . 1 1 30 30 HIS CA C 13 55.546 0.400 . 1 . . . . 30 HIS CA . 17691 1 352 . 1 1 30 30 HIS CB C 13 30.434 0.400 . 1 . . . . 30 HIS CB . 17691 1 353 . 1 1 30 30 HIS CD2 C 13 119.840 0.400 . 1 . . . . 30 HIS CD2 . 17691 1 354 . 1 1 30 30 HIS CE1 C 13 136.050 0.400 . 1 . . . . 30 HIS CE1 . 17691 1 355 . 1 1 30 30 HIS N N 15 125.035 0.400 . 1 . . . . 30 HIS N . 17691 1 356 . 1 1 31 31 ASN HA H 1 4.270 0.020 . 1 . . . . 31 ASN HA . 17691 1 357 . 1 1 31 31 ASN HB2 H 1 2.800 0.020 . 2 . . . . 31 ASN HB2 . 17691 1 358 . 1 1 31 31 ASN HB3 H 1 2.725 0.020 . 2 . . . . 31 ASN HB3 . 17691 1 359 . 1 1 31 31 ASN HD21 H 1 7.507 0.020 . 1 . . . . 31 ASN HD21 . 17691 1 360 . 1 1 31 31 ASN HD22 H 1 7.262 0.020 . 1 . . . . 31 ASN HD22 . 17691 1 361 . 1 1 31 31 ASN C C 13 176.580 0.400 . 1 . . . . 31 ASN C . 17691 1 362 . 1 1 31 31 ASN CA C 13 56.029 0.400 . 1 . . . . 31 ASN CA . 17691 1 363 . 1 1 31 31 ASN CB C 13 32.241 0.400 . 1 . . . . 31 ASN CB . 17691 1 364 . 1 1 31 31 ASN N N 15 123.880 0.400 . 1 . . . . 31 ASN N . 17691 1 365 . 1 1 31 31 ASN ND2 N 15 114.908 0.400 . 1 . . . . 31 ASN ND2 . 17691 1 366 . 1 1 32 32 SER HA H 1 4.247 0.020 . 1 . . . . 32 SER HA . 17691 1 367 . 1 1 32 32 SER HB2 H 1 4.004 0.020 . 2 . . . . 32 SER HB2 . 17691 1 368 . 1 1 32 32 SER HB3 H 1 3.944 0.020 . 2 . . . . 32 SER HB3 . 17691 1 369 . 1 1 32 32 SER C C 13 176.838 0.400 . 1 . . . . 32 SER C . 17691 1 370 . 1 1 32 32 SER CA C 13 61.606 0.400 . 1 . . . . 32 SER CA . 17691 1 371 . 1 1 32 32 SER CB C 13 69.767 0.400 . 1 . . . . 32 SER CB . 17691 1 372 . 1 1 32 32 SER N N 15 116.760 0.400 . 1 . . . . 32 SER N . 17691 1 373 . 1 1 33 33 GLU HA H 1 4.220 0.020 . 1 . . . . 33 GLU HA . 17691 1 374 . 1 1 33 33 GLU HB2 H 1 2.234 0.020 . 2 . . . . 33 GLU HB2 . 17691 1 375 . 1 1 33 33 GLU HB3 H 1 2.182 0.020 . 2 . . . . 33 GLU HB3 . 17691 1 376 . 1 1 33 33 GLU HG2 H 1 2.408 0.020 . 2 . . . . 33 GLU HG2 . 17691 1 377 . 1 1 33 33 GLU HG3 H 1 3.235 0.020 . 2 . . . . 33 GLU HG3 . 17691 1 378 . 1 1 33 33 GLU C C 13 178.675 0.400 . 1 . . . . 33 GLU C . 17691 1 379 . 1 1 33 33 GLU CA C 13 58.491 0.400 . 1 . . . . 33 GLU CA . 17691 1 380 . 1 1 33 33 GLU CB C 13 29.355 0.400 . 1 . . . . 33 GLU CB . 17691 1 381 . 1 1 33 33 GLU CG C 13 36.124 0.400 . 1 . . . . 33 GLU CG . 17691 1 382 . 1 1 33 33 GLU N N 15 124.395 0.400 . 1 . . . . 33 GLU N . 17691 1 383 . 1 1 34 34 ILE HA H 1 3.679 0.020 . 1 . . . . 34 ILE HA . 17691 1 384 . 1 1 34 34 ILE HB H 1 2.012 0.020 . 1 . . . . 34 ILE HB . 17691 1 385 . 1 1 34 34 ILE HG12 H 1 1.008 0.020 . 2 . . . . 34 ILE HG12 . 17691 1 386 . 1 1 34 34 ILE HG13 H 1 1.605 0.020 . 2 . . . . 34 ILE HG13 . 17691 1 387 . 1 1 34 34 ILE HG21 H 1 0.956 0.020 . 1 . . . . 34 ILE HG21 . 17691 1 388 . 1 1 34 34 ILE HG22 H 1 0.956 0.020 . 1 . . . . 34 ILE HG22 . 17691 1 389 . 1 1 34 34 ILE HG23 H 1 0.956 0.020 . 1 . . . . 34 ILE HG23 . 17691 1 390 . 1 1 34 34 ILE HD11 H 1 0.815 0.020 . 1 . . . . 34 ILE HD11 . 17691 1 391 . 1 1 34 34 ILE HD12 H 1 0.815 0.020 . 1 . . . . 34 ILE HD12 . 17691 1 392 . 1 1 34 34 ILE HD13 H 1 0.815 0.020 . 1 . . . . 34 ILE HD13 . 17691 1 393 . 1 1 34 34 ILE C C 13 177.895 0.400 . 1 . . . . 34 ILE C . 17691 1 394 . 1 1 34 34 ILE CA C 13 65.752 0.400 . 1 . . . . 34 ILE CA . 17691 1 395 . 1 1 34 34 ILE CB C 13 37.506 0.400 . 1 . . . . 34 ILE CB . 17691 1 396 . 1 1 34 34 ILE CG1 C 13 28.771 0.400 . 1 . . . . 34 ILE CG1 . 17691 1 397 . 1 1 34 34 ILE CG2 C 13 17.196 0.400 . 1 . . . . 34 ILE CG2 . 17691 1 398 . 1 1 34 34 ILE CD1 C 13 12.603 0.400 . 1 . . . . 34 ILE CD1 . 17691 1 399 . 1 1 34 34 ILE N N 15 121.456 0.400 . 1 . . . . 34 ILE N . 17691 1 400 . 1 1 35 35 SER HA H 1 4.176 0.020 . 1 . . . . 35 SER HA . 17691 1 401 . 1 1 35 35 SER HB2 H 1 4.019 0.020 . 2 . . . . 35 SER HB2 . 17691 1 402 . 1 1 35 35 SER HB3 H 1 4.073 0.020 . 2 . . . . 35 SER HB3 . 17691 1 403 . 1 1 35 35 SER C C 13 176.977 0.400 . 1 . . . . 35 SER C . 17691 1 404 . 1 1 35 35 SER CA C 13 62.515 0.400 . 1 . . . . 35 SER CA . 17691 1 405 . 1 1 35 35 SER CB C 13 62.422 0.400 . 1 . . . . 35 SER CB . 17691 1 406 . 1 1 35 35 SER N N 15 114.162 0.400 . 1 . . . . 35 SER N . 17691 1 407 . 1 1 36 36 LYS HA H 1 4.085 0.020 . 1 . . . . 36 LYS HA . 17691 1 408 . 1 1 36 36 LYS HB2 H 1 1.978 0.020 . 2 . . . . 36 LYS HB2 . 17691 1 409 . 1 1 36 36 LYS HB3 H 1 1.583 0.020 . 2 . . . . 36 LYS HB3 . 17691 1 410 . 1 1 36 36 LYS HG2 H 1 1.425 0.020 . 2 . . . . 36 LYS HG2 . 17691 1 411 . 1 1 36 36 LYS HG3 H 1 1.652 0.020 . 2 . . . . 36 LYS HG3 . 17691 1 412 . 1 1 36 36 LYS HD2 H 1 1.612 0.020 . 2 . . . . 36 LYS HD2 . 17691 1 413 . 1 1 36 36 LYS HD3 H 1 1.610 0.020 . 2 . . . . 36 LYS HD3 . 17691 1 414 . 1 1 36 36 LYS HE2 H 1 2.924 0.020 . 2 . . . . 36 LYS HE2 . 17691 1 415 . 1 1 36 36 LYS HE3 H 1 2.939 0.020 . 2 . . . . 36 LYS HE3 . 17691 1 416 . 1 1 36 36 LYS C C 13 179.331 0.400 . 1 . . . . 36 LYS C . 17691 1 417 . 1 1 36 36 LYS CA C 13 59.431 0.400 . 1 . . . . 36 LYS CA . 17691 1 418 . 1 1 36 36 LYS CB C 13 32.601 0.400 . 1 . . . . 36 LYS CB . 17691 1 419 . 1 1 36 36 LYS CG C 13 25.145 0.400 . 1 . . . . 36 LYS CG . 17691 1 420 . 1 1 36 36 LYS CD C 13 28.780 0.400 . 1 . . . . 36 LYS CD . 17691 1 421 . 1 1 36 36 LYS CE C 13 41.780 0.400 . 1 . . . . 36 LYS CE . 17691 1 422 . 1 1 36 36 LYS N N 15 122.601 0.400 . 1 . . . . 36 LYS N . 17691 1 423 . 1 1 37 37 ARG HA H 1 4.220 0.020 . 1 . . . . 37 ARG HA . 17691 1 424 . 1 1 37 37 ARG HB2 H 1 1.976 0.020 . 2 . . . . 37 ARG HB2 . 17691 1 425 . 1 1 37 37 ARG HB3 H 1 1.706 0.020 . 2 . . . . 37 ARG HB3 . 17691 1 426 . 1 1 37 37 ARG HG2 H 1 1.736 0.020 . 2 . . . . 37 ARG HG2 . 17691 1 427 . 1 1 37 37 ARG HG3 H 1 1.807 0.020 . 2 . . . . 37 ARG HG3 . 17691 1 428 . 1 1 37 37 ARG HD2 H 1 3.194 0.020 . 2 . . . . 37 ARG HD2 . 17691 1 429 . 1 1 37 37 ARG HD3 H 1 3.223 0.020 . 2 . . . . 37 ARG HD3 . 17691 1 430 . 1 1 37 37 ARG C C 13 179.087 0.400 . 1 . . . . 37 ARG C . 17691 1 431 . 1 1 37 37 ARG CA C 13 59.128 0.400 . 1 . . . . 37 ARG CA . 17691 1 432 . 1 1 37 37 ARG CB C 13 29.904 0.400 . 1 . . . . 37 ARG CB . 17691 1 433 . 1 1 37 37 ARG CG C 13 27.681 0.400 . 1 . . . . 37 ARG CG . 17691 1 434 . 1 1 37 37 ARG CD C 13 43.112 0.400 . 1 . . . . 37 ARG CD . 17691 1 435 . 1 1 37 37 ARG N N 15 120.938 0.400 . 1 . . . . 37 ARG N . 17691 1 436 . 1 1 38 38 LEU HA H 1 4.411 0.020 . 1 . . . . 38 LEU HA . 17691 1 437 . 1 1 38 38 LEU HB2 H 1 2.204 0.020 . 2 . . . . 38 LEU HB2 . 17691 1 438 . 1 1 38 38 LEU HB3 H 1 1.722 0.020 . 2 . . . . 38 LEU HB3 . 17691 1 439 . 1 1 38 38 LEU HG H 1 2.422 0.020 . 1 . . . . 38 LEU HG . 17691 1 440 . 1 1 38 38 LEU HD11 H 1 0.684 0.020 . 2 . . . . 38 LEU HD11 . 17691 1 441 . 1 1 38 38 LEU HD12 H 1 0.684 0.020 . 2 . . . . 38 LEU HD12 . 17691 1 442 . 1 1 38 38 LEU HD13 H 1 0.684 0.020 . 2 . . . . 38 LEU HD13 . 17691 1 443 . 1 1 38 38 LEU HD21 H 1 0.590 0.020 . 2 . . . . 38 LEU HD21 . 17691 1 444 . 1 1 38 38 LEU HD22 H 1 0.590 0.020 . 2 . . . . 38 LEU HD22 . 17691 1 445 . 1 1 38 38 LEU HD23 H 1 0.590 0.020 . 2 . . . . 38 LEU HD23 . 17691 1 446 . 1 1 38 38 LEU C C 13 179.548 0.400 . 1 . . . . 38 LEU C . 17691 1 447 . 1 1 38 38 LEU CA C 13 58.137 0.400 . 1 . . . . 38 LEU CA . 17691 1 448 . 1 1 38 38 LEU CB C 13 41.701 0.400 . 1 . . . . 38 LEU CB . 17691 1 449 . 1 1 38 38 LEU CG C 13 29.687 0.400 . 1 . . . . 38 LEU CG . 17691 1 450 . 1 1 38 38 LEU CD1 C 13 26.680 0.400 . 1 . . . . 38 LEU CD1 . 17691 1 451 . 1 1 38 38 LEU CD2 C 13 23.806 0.400 . 1 . . . . 38 LEU CD2 . 17691 1 452 . 1 1 38 38 LEU N N 15 119.257 0.400 . 1 . . . . 38 LEU N . 17691 1 453 . 1 1 39 39 GLY HA2 H 1 3.968 0.020 . 1 . . . . 39 GLY HA2 . 17691 1 454 . 1 1 39 39 GLY C C 13 176.038 0.400 . 1 . . . . 39 GLY C . 17691 1 455 . 1 1 39 39 GLY CA C 13 47.495 0.400 . 1 . . . . 39 GLY CA . 17691 1 456 . 1 1 39 39 GLY N N 15 104.849 0.400 . 1 . . . . 39 GLY N . 17691 1 457 . 1 1 40 40 ALA HA H 1 4.188 0.020 . 1 . . . . 40 ALA HA . 17691 1 458 . 1 1 40 40 ALA HB1 H 1 1.567 0.020 . 1 . . . . 40 ALA HB1 . 17691 1 459 . 1 1 40 40 ALA HB2 H 1 1.567 0.020 . 1 . . . . 40 ALA HB2 . 17691 1 460 . 1 1 40 40 ALA HB3 H 1 1.567 0.020 . 1 . . . . 40 ALA HB3 . 17691 1 461 . 1 1 40 40 ALA C C 13 180.431 0.400 . 1 . . . . 40 ALA C . 17691 1 462 . 1 1 40 40 ALA CA C 13 54.604 0.400 . 1 . . . . 40 ALA CA . 17691 1 463 . 1 1 40 40 ALA CB C 13 18.442 0.400 . 1 . . . . 40 ALA CB . 17691 1 464 . 1 1 40 40 ALA N N 15 123.616 0.400 . 1 . . . . 40 ALA N . 17691 1 465 . 1 1 41 41 GLU HA H 1 4.051 0.020 . 1 . . . . 41 GLU HA . 17691 1 466 . 1 1 41 41 GLU HB2 H 1 1.841 0.020 . 2 . . . . 41 GLU HB2 . 17691 1 467 . 1 1 41 41 GLU HB3 H 1 1.750 0.020 . 2 . . . . 41 GLU HB3 . 17691 1 468 . 1 1 41 41 GLU HG2 H 1 2.415 0.020 . 2 . . . . 41 GLU HG2 . 17691 1 469 . 1 1 41 41 GLU HG3 H 1 2.636 0.020 . 2 . . . . 41 GLU HG3 . 17691 1 470 . 1 1 41 41 GLU CA C 13 59.279 0.400 . 1 . . . . 41 GLU CA . 17691 1 471 . 1 1 41 41 GLU CB C 13 29.278 0.400 . 1 . . . . 41 GLU CB . 17691 1 472 . 1 1 41 41 GLU CG C 13 36.552 0.400 . 1 . . . . 41 GLU CG . 17691 1 473 . 1 1 41 41 GLU N N 15 118.594 0.400 . 1 . . . . 41 GLU N . 17691 1 474 . 1 1 42 42 TRP HA H 1 3.595 0.020 . 1 . . . . 42 TRP HA . 17691 1 475 . 1 1 42 42 TRP HB2 H 1 3.059 0.020 . 2 . . . . 42 TRP HB2 . 17691 1 476 . 1 1 42 42 TRP HB3 H 1 3.336 0.020 . 2 . . . . 42 TRP HB3 . 17691 1 477 . 1 1 42 42 TRP HD1 H 1 7.250 0.020 . 1 . . . . 42 TRP HD1 . 17691 1 478 . 1 1 42 42 TRP HE3 H 1 5.565 0.020 . 1 . . . . 42 TRP HE3 . 17691 1 479 . 1 1 42 42 TRP HZ2 H 1 7.140 0.020 . 1 . . . . 42 TRP HZ2 . 17691 1 480 . 1 1 42 42 TRP HZ3 H 1 6.067 0.020 . 1 . . . . 42 TRP HZ3 . 17691 1 481 . 1 1 42 42 TRP HH2 H 1 6.932 0.020 . 1 . . . . 42 TRP HH2 . 17691 1 482 . 1 1 42 42 TRP C C 13 177.529 0.400 . 1 . . . . 42 TRP C . 17691 1 483 . 1 1 42 42 TRP CA C 13 59.221 0.400 . 1 . . . . 42 TRP CA . 17691 1 484 . 1 1 42 42 TRP CB C 13 30.220 0.400 . 1 . . . . 42 TRP CB . 17691 1 485 . 1 1 42 42 TRP CD1 C 13 130.845 0.400 . 1 . . . . 42 TRP CD1 . 17691 1 486 . 1 1 42 42 TRP CE3 C 13 122.432 0.400 . 1 . . . . 42 TRP CE3 . 17691 1 487 . 1 1 42 42 TRP CZ2 C 13 112.815 0.400 . 1 . . . . 42 TRP CZ2 . 17691 1 488 . 1 1 42 42 TRP CZ3 C 13 121.423 0.400 . 1 . . . . 42 TRP CZ3 . 17691 1 489 . 1 1 42 42 TRP CH2 C 13 127.062 0.400 . 1 . . . . 42 TRP CH2 . 17691 1 490 . 1 1 42 42 TRP N N 15 121.111 0.400 . 1 . . . . 42 TRP N . 17691 1 491 . 1 1 43 43 LYS HA H 1 3.769 0.020 . 1 . . . . 43 LYS HA . 17691 1 492 . 1 1 43 43 LYS HB2 H 1 1.847 0.020 . 2 . . . . 43 LYS HB2 . 17691 1 493 . 1 1 43 43 LYS HB3 H 1 1.780 0.020 . 2 . . . . 43 LYS HB3 . 17691 1 494 . 1 1 43 43 LYS HG2 H 1 1.657 0.020 . 2 . . . . 43 LYS HG2 . 17691 1 495 . 1 1 43 43 LYS HG3 H 1 1.447 0.020 . 2 . . . . 43 LYS HG3 . 17691 1 496 . 1 1 43 43 LYS HD2 H 1 1.566 0.020 . 2 . . . . 43 LYS HD2 . 17691 1 497 . 1 1 43 43 LYS HD3 H 1 1.697 0.020 . 2 . . . . 43 LYS HD3 . 17691 1 498 . 1 1 43 43 LYS HE2 H 1 2.909 0.020 . 2 . . . . 43 LYS HE2 . 17691 1 499 . 1 1 43 43 LYS HE3 H 1 2.946 0.020 . 2 . . . . 43 LYS HE3 . 17691 1 500 . 1 1 43 43 LYS C C 13 177.387 0.400 . 1 . . . . 43 LYS C . 17691 1 501 . 1 1 43 43 LYS CA C 13 58.347 0.400 . 1 . . . . 43 LYS CA . 17691 1 502 . 1 1 43 43 LYS CB C 13 32.631 0.400 . 1 . . . . 43 LYS CB . 17691 1 503 . 1 1 43 43 LYS CG C 13 25.341 0.400 . 1 . . . . 43 LYS CG . 17691 1 504 . 1 1 43 43 LYS CD C 13 29.252 0.400 . 1 . . . . 43 LYS CD . 17691 1 505 . 1 1 43 43 LYS CE C 13 42.120 0.400 . 1 . . . . 43 LYS CE . 17691 1 506 . 1 1 43 43 LYS N N 15 114.076 0.400 . 1 . . . . 43 LYS N . 17691 1 507 . 1 1 44 44 LEU HA H 1 4.126 0.020 . 1 . . . . 44 LEU HA . 17691 1 508 . 1 1 44 44 LEU HB2 H 1 1.756 0.020 . 2 . . . . 44 LEU HB2 . 17691 1 509 . 1 1 44 44 LEU HB3 H 1 1.583 0.020 . 2 . . . . 44 LEU HB3 . 17691 1 510 . 1 1 44 44 LEU HG H 1 1.576 0.020 . 1 . . . . 44 LEU HG . 17691 1 511 . 1 1 44 44 LEU HD11 H 1 0.900 0.020 . 2 . . . . 44 LEU HD11 . 17691 1 512 . 1 1 44 44 LEU HD12 H 1 0.900 0.020 . 2 . . . . 44 LEU HD12 . 17691 1 513 . 1 1 44 44 LEU HD13 H 1 0.900 0.020 . 2 . . . . 44 LEU HD13 . 17691 1 514 . 1 1 44 44 LEU HD21 H 1 0.803 0.020 . 2 . . . . 44 LEU HD21 . 17691 1 515 . 1 1 44 44 LEU HD22 H 1 0.803 0.020 . 2 . . . . 44 LEU HD22 . 17691 1 516 . 1 1 44 44 LEU HD23 H 1 0.803 0.020 . 2 . . . . 44 LEU HD23 . 17691 1 517 . 1 1 44 44 LEU C C 13 177.529 0.400 . 1 . . . . 44 LEU C . 17691 1 518 . 1 1 44 44 LEU CA C 13 54.796 0.400 . 1 . . . . 44 LEU CA . 17691 1 519 . 1 1 44 44 LEU CB C 13 42.385 0.400 . 1 . . . . 44 LEU CB . 17691 1 520 . 1 1 44 44 LEU CG C 13 26.113 0.400 . 1 . . . . 44 LEU CG . 17691 1 521 . 1 1 44 44 LEU CD1 C 13 25.380 0.400 . 1 . . . . 44 LEU CD1 . 17691 1 522 . 1 1 44 44 LEU CD2 C 13 22.241 0.400 . 1 . . . . 44 LEU CD2 . 17691 1 523 . 1 1 44 44 LEU N N 15 115.991 0.400 . 1 . . . . 44 LEU N . 17691 1 524 . 1 1 45 45 LEU HA H 1 4.121 0.020 . 1 . . . . 45 LEU HA . 17691 1 525 . 1 1 45 45 LEU HB2 H 1 1.042 0.020 . 2 . . . . 45 LEU HB2 . 17691 1 526 . 1 1 45 45 LEU HB3 H 1 1.064 0.020 . 2 . . . . 45 LEU HB3 . 17691 1 527 . 1 1 45 45 LEU HG H 1 1.621 0.020 . 1 . . . . 45 LEU HG . 17691 1 528 . 1 1 45 45 LEU HD11 H 1 0.590 0.020 . 2 . . . . 45 LEU HD11 . 17691 1 529 . 1 1 45 45 LEU HD12 H 1 0.590 0.020 . 2 . . . . 45 LEU HD12 . 17691 1 530 . 1 1 45 45 LEU HD13 H 1 0.590 0.020 . 2 . . . . 45 LEU HD13 . 17691 1 531 . 1 1 45 45 LEU HD21 H 1 0.377 0.020 . 2 . . . . 45 LEU HD21 . 17691 1 532 . 1 1 45 45 LEU HD22 H 1 0.377 0.020 . 2 . . . . 45 LEU HD22 . 17691 1 533 . 1 1 45 45 LEU HD23 H 1 0.377 0.020 . 2 . . . . 45 LEU HD23 . 17691 1 534 . 1 1 45 45 LEU C C 13 177.285 0.400 . 1 . . . . 45 LEU C . 17691 1 535 . 1 1 45 45 LEU CA C 13 55.198 0.400 . 1 . . . . 45 LEU CA . 17691 1 536 . 1 1 45 45 LEU CB C 13 42.592 0.400 . 1 . . . . 45 LEU CB . 17691 1 537 . 1 1 45 45 LEU CG C 13 26.770 0.400 . 1 . . . . 45 LEU CG . 17691 1 538 . 1 1 45 45 LEU CD1 C 13 23.388 0.400 . 1 . . . . 45 LEU CD1 . 17691 1 539 . 1 1 45 45 LEU CD2 C 13 25.254 0.400 . 1 . . . . 45 LEU CD2 . 17691 1 540 . 1 1 45 45 LEU N N 15 121.326 0.400 . 1 . . . . 45 LEU N . 17691 1 541 . 1 1 46 46 SER HA H 1 4.314 0.020 . 1 . . . . 46 SER HA . 17691 1 542 . 1 1 46 46 SER HB2 H 1 4.022 0.020 . 2 . . . . 46 SER HB2 . 17691 1 543 . 1 1 46 46 SER HB3 H 1 3.968 0.020 . 2 . . . . 46 SER HB3 . 17691 1 544 . 1 1 46 46 SER C C 13 174.737 0.400 . 1 . . . . 46 SER C . 17691 1 545 . 1 1 46 46 SER CA C 13 57.245 0.400 . 1 . . . . 46 SER CA . 17691 1 546 . 1 1 46 46 SER CB C 13 65.048 0.400 . 1 . . . . 46 SER CB . 17691 1 547 . 1 1 46 46 SER N N 15 120.111 0.400 . 1 . . . . 46 SER N . 17691 1 548 . 1 1 47 47 GLU HA H 1 3.786 0.020 . 1 . . . . 47 GLU HA . 17691 1 549 . 1 1 47 47 GLU HB2 H 1 2.027 0.020 . 2 . . . . 47 GLU HB2 . 17691 1 550 . 1 1 47 47 GLU HB3 H 1 2.046 0.020 . 2 . . . . 47 GLU HB3 . 17691 1 551 . 1 1 47 47 GLU HG2 H 1 2.330 0.020 . 2 . . . . 47 GLU HG2 . 17691 1 552 . 1 1 47 47 GLU HG3 H 1 2.257 0.020 . 2 . . . . 47 GLU HG3 . 17691 1 553 . 1 1 47 47 GLU C C 13 179.464 0.400 . 1 . . . . 47 GLU C . 17691 1 554 . 1 1 47 47 GLU CA C 13 59.854 0.400 . 1 . . . . 47 GLU CA . 17691 1 555 . 1 1 47 47 GLU CB C 13 28.943 0.400 . 1 . . . . 47 GLU CB . 17691 1 556 . 1 1 47 47 GLU CG C 13 36.103 0.400 . 1 . . . . 47 GLU CG . 17691 1 557 . 1 1 47 47 GLU N N 15 120.571 0.400 . 1 . . . . 47 GLU N . 17691 1 558 . 1 1 48 48 THR HA H 1 3.207 0.020 . 1 . . . . 48 THR HA . 17691 1 559 . 1 1 48 48 THR HB H 1 3.676 0.020 . 1 . . . . 48 THR HB . 17691 1 560 . 1 1 48 48 THR HG21 H 1 1.218 0.020 . 1 . . . . 48 THR HG21 . 17691 1 561 . 1 1 48 48 THR HG22 H 1 1.218 0.020 . 1 . . . . 48 THR HG22 . 17691 1 562 . 1 1 48 48 THR HG23 H 1 1.218 0.020 . 1 . . . . 48 THR HG23 . 17691 1 563 . 1 1 48 48 THR C C 13 176.740 0.400 . 1 . . . . 48 THR C . 17691 1 564 . 1 1 48 48 THR CA C 13 66.061 0.400 . 1 . . . . 48 THR CA . 17691 1 565 . 1 1 48 48 THR CB C 13 68.502 0.400 . 1 . . . . 48 THR CB . 17691 1 566 . 1 1 48 48 THR CG2 C 13 21.636 0.400 . 1 . . . . 48 THR CG2 . 17691 1 567 . 1 1 48 48 THR N N 15 113.289 0.400 . 1 . . . . 48 THR N . 17691 1 568 . 1 1 49 49 GLU HA H 1 4.095 0.020 . 1 . . . . 49 GLU HA . 17691 1 569 . 1 1 49 49 GLU HB2 H 1 2.168 0.020 . 2 . . . . 49 GLU HB2 . 17691 1 570 . 1 1 49 49 GLU HB3 H 1 2.036 0.020 . 2 . . . . 49 GLU HB3 . 17691 1 571 . 1 1 49 49 GLU HG2 H 1 2.286 0.020 . 2 . . . . 49 GLU HG2 . 17691 1 572 . 1 1 49 49 GLU HG3 H 1 2.310 0.020 . 2 . . . . 49 GLU HG3 . 17691 1 573 . 1 1 49 49 GLU C C 13 178.383 0.400 . 1 . . . . 49 GLU C . 17691 1 574 . 1 1 49 49 GLU CA C 13 58.511 0.400 . 1 . . . . 49 GLU CA . 17691 1 575 . 1 1 49 49 GLU CB C 13 30.476 0.400 . 1 . . . . 49 GLU CB . 17691 1 576 . 1 1 49 49 GLU CG C 13 37.855 0.400 . 1 . . . . 49 GLU CG . 17691 1 577 . 1 1 49 49 GLU N N 15 121.759 0.400 . 1 . . . . 49 GLU N . 17691 1 578 . 1 1 50 50 LYS HA H 1 4.003 0.020 . 1 . . . . 50 LYS HA . 17691 1 579 . 1 1 50 50 LYS HB2 H 1 1.555 0.020 . 2 . . . . 50 LYS HB2 . 17691 1 580 . 1 1 50 50 LYS HB3 H 1 1.629 0.020 . 2 . . . . 50 LYS HB3 . 17691 1 581 . 1 1 50 50 LYS HG2 H 1 1.062 0.020 . 2 . . . . 50 LYS HG2 . 17691 1 582 . 1 1 50 50 LYS HG3 H 1 -0.059 0.020 . 2 . . . . 50 LYS HG3 . 17691 1 583 . 1 1 50 50 LYS HD2 H 1 0.878 0.020 . 2 . . . . 50 LYS HD2 . 17691 1 584 . 1 1 50 50 LYS HD3 H 1 1.017 0.020 . 2 . . . . 50 LYS HD3 . 17691 1 585 . 1 1 50 50 LYS HE2 H 1 1.720 0.020 . 2 . . . . 50 LYS HE2 . 17691 1 586 . 1 1 50 50 LYS HE3 H 1 1.666 0.020 . 2 . . . . 50 LYS HE3 . 17691 1 587 . 1 1 50 50 LYS CA C 13 58.923 0.400 . 1 . . . . 50 LYS CA . 17691 1 588 . 1 1 50 50 LYS CB C 13 34.008 0.400 . 1 . . . . 50 LYS CB . 17691 1 589 . 1 1 50 50 LYS CG C 13 26.885 0.400 . 1 . . . . 50 LYS CG . 17691 1 590 . 1 1 50 50 LYS CD C 13 29.354 0.400 . 1 . . . . 50 LYS CD . 17691 1 591 . 1 1 50 50 LYS CE C 13 41.864 0.400 . 1 . . . . 50 LYS CE . 17691 1 592 . 1 1 50 50 LYS N N 15 115.605 0.400 . 1 . . . . 50 LYS N . 17691 1 593 . 1 1 51 51 ARG HA H 1 4.032 0.020 . 1 . . . . 51 ARG HA . 17691 1 594 . 1 1 51 51 ARG HB2 H 1 2.054 0.020 . 2 . . . . 51 ARG HB2 . 17691 1 595 . 1 1 51 51 ARG HB3 H 1 2.084 0.020 . 2 . . . . 51 ARG HB3 . 17691 1 596 . 1 1 51 51 ARG HG2 H 1 1.741 0.020 . 2 . . . . 51 ARG HG2 . 17691 1 597 . 1 1 51 51 ARG HG3 H 1 1.608 0.020 . 2 . . . . 51 ARG HG3 . 17691 1 598 . 1 1 51 51 ARG HD2 H 1 3.240 0.020 . 2 . . . . 51 ARG HD2 . 17691 1 599 . 1 1 51 51 ARG HD3 H 1 3.180 0.020 . 2 . . . . 51 ARG HD3 . 17691 1 600 . 1 1 51 51 ARG CA C 13 60.709 0.400 . 1 . . . . 51 ARG CA . 17691 1 601 . 1 1 51 51 ARG CB C 13 27.114 0.400 . 1 . . . . 51 ARG CB . 17691 1 602 . 1 1 51 51 ARG CG C 13 26.852 0.400 . 1 . . . . 51 ARG CG . 17691 1 603 . 1 1 51 51 ARG CD C 13 42.739 0.400 . 1 . . . . 51 ARG CD . 17691 1 604 . 1 1 51 51 ARG N N 15 119.570 0.400 . 1 . . . . 51 ARG N . 17691 1 605 . 1 1 52 52 PRO HA H 1 4.301 0.020 . 1 . . . . 52 PRO HA . 17691 1 606 . 1 1 52 52 PRO HB2 H 1 2.107 0.020 . 2 . . . . 52 PRO HB2 . 17691 1 607 . 1 1 52 52 PRO HB3 H 1 1.034 0.020 . 2 . . . . 52 PRO HB3 . 17691 1 608 . 1 1 52 52 PRO HG2 H 1 1.888 0.020 . 2 . . . . 52 PRO HG2 . 17691 1 609 . 1 1 52 52 PRO HG3 H 1 1.776 0.020 . 2 . . . . 52 PRO HG3 . 17691 1 610 . 1 1 52 52 PRO HD2 H 1 3.705 0.020 . 2 . . . . 52 PRO HD2 . 17691 1 611 . 1 1 52 52 PRO HD3 H 1 3.591 0.020 . 2 . . . . 52 PRO HD3 . 17691 1 612 . 1 1 52 52 PRO C C 13 179.426 0.400 . 1 . . . . 52 PRO C . 17691 1 613 . 1 1 52 52 PRO CA C 13 65.548 0.400 . 1 . . . . 52 PRO CA . 17691 1 614 . 1 1 52 52 PRO CB C 13 30.695 0.400 . 1 . . . . 52 PRO CB . 17691 1 615 . 1 1 52 52 PRO CG C 13 28.386 0.400 . 1 . . . . 52 PRO CG . 17691 1 616 . 1 1 52 52 PRO CD C 13 49.343 0.400 . 1 . . . . 52 PRO CD . 17691 1 617 . 1 1 53 53 PHE HA H 1 4.162 0.020 . 1 . . . . 53 PHE HA . 17691 1 618 . 1 1 53 53 PHE HB2 H 1 3.294 0.020 . 2 . . . . 53 PHE HB2 . 17691 1 619 . 1 1 53 53 PHE HB3 H 1 2.103 0.020 . 2 . . . . 53 PHE HB3 . 17691 1 620 . 1 1 53 53 PHE HD1 H 1 7.479 0.020 . 1 . . . . 53 PHE HD1 . 17691 1 621 . 1 1 53 53 PHE HD2 H 1 7.494 0.020 . 1 . . . . 53 PHE HD2 . 17691 1 622 . 1 1 53 53 PHE HE1 H 1 7.685 0.020 . 1 . . . . 53 PHE HE1 . 17691 1 623 . 1 1 53 53 PHE HE2 H 1 7.712 0.020 . 1 . . . . 53 PHE HE2 . 17691 1 624 . 1 1 53 53 PHE HZ H 1 7.704 0.020 . 1 . . . . 53 PHE HZ . 17691 1 625 . 1 1 53 53 PHE C C 13 177.466 0.400 . 1 . . . . 53 PHE C . 17691 1 626 . 1 1 53 53 PHE CA C 13 60.739 0.400 . 1 . . . . 53 PHE CA . 17691 1 627 . 1 1 53 53 PHE CB C 13 36.987 0.400 . 1 . . . . 53 PHE CB . 17691 1 628 . 1 1 53 53 PHE CD1 C 13 131.669 0.400 . 1 . . . . 53 PHE CD1 . 17691 1 629 . 1 1 53 53 PHE CD2 C 13 131.329 0.400 . 1 . . . . 53 PHE CD2 . 17691 1 630 . 1 1 53 53 PHE CE1 C 13 133.002 0.400 . 1 . . . . 53 PHE CE1 . 17691 1 631 . 1 1 53 53 PHE CE2 C 13 131.102 0.400 . 1 . . . . 53 PHE CE2 . 17691 1 632 . 1 1 53 53 PHE CZ C 13 131.492 0.400 . 1 . . . . 53 PHE CZ . 17691 1 633 . 1 1 53 53 PHE N N 15 117.668 0.400 . 1 . . . . 53 PHE N . 17691 1 634 . 1 1 54 54 ILE HA H 1 3.740 0.020 . 1 . . . . 54 ILE HA . 17691 1 635 . 1 1 54 54 ILE HB H 1 1.984 0.020 . 1 . . . . 54 ILE HB . 17691 1 636 . 1 1 54 54 ILE HG12 H 1 1.090 0.020 . 2 . . . . 54 ILE HG12 . 17691 1 637 . 1 1 54 54 ILE HG13 H 1 1.512 0.020 . 2 . . . . 54 ILE HG13 . 17691 1 638 . 1 1 54 54 ILE HG21 H 1 0.876 0.020 . 1 . . . . 54 ILE HG21 . 17691 1 639 . 1 1 54 54 ILE HG22 H 1 0.876 0.020 . 1 . . . . 54 ILE HG22 . 17691 1 640 . 1 1 54 54 ILE HG23 H 1 0.876 0.020 . 1 . . . . 54 ILE HG23 . 17691 1 641 . 1 1 54 54 ILE HD11 H 1 0.682 0.020 . 1 . . . . 54 ILE HD11 . 17691 1 642 . 1 1 54 54 ILE HD12 H 1 0.682 0.020 . 1 . . . . 54 ILE HD12 . 17691 1 643 . 1 1 54 54 ILE HD13 H 1 0.682 0.020 . 1 . . . . 54 ILE HD13 . 17691 1 644 . 1 1 54 54 ILE C C 13 179.408 0.400 . 1 . . . . 54 ILE C . 17691 1 645 . 1 1 54 54 ILE CA C 13 65.302 0.400 . 1 . . . . 54 ILE CA . 17691 1 646 . 1 1 54 54 ILE CB C 13 38.145 0.400 . 1 . . . . 54 ILE CB . 17691 1 647 . 1 1 54 54 ILE CG1 C 13 28.509 0.400 . 1 . . . . 54 ILE CG1 . 17691 1 648 . 1 1 54 54 ILE CG2 C 13 16.782 0.400 . 1 . . . . 54 ILE CG2 . 17691 1 649 . 1 1 54 54 ILE CD1 C 13 15.932 0.400 . 1 . . . . 54 ILE CD1 . 17691 1 650 . 1 1 54 54 ILE N N 15 123.179 0.400 . 1 . . . . 54 ILE N . 17691 1 651 . 1 1 55 55 ASP HA H 1 4.443 0.020 . 1 . . . . 55 ASP HA . 17691 1 652 . 1 1 55 55 ASP HB2 H 1 2.696 0.020 . 2 . . . . 55 ASP HB2 . 17691 1 653 . 1 1 55 55 ASP HB3 H 1 2.631 0.020 . 2 . . . . 55 ASP HB3 . 17691 1 654 . 1 1 55 55 ASP CA C 13 57.654 0.400 . 1 . . . . 55 ASP CA . 17691 1 655 . 1 1 55 55 ASP CB C 13 39.500 0.400 . 1 . . . . 55 ASP CB . 17691 1 656 . 1 1 55 55 ASP N N 15 120.986 0.400 . 1 . . . . 55 ASP N . 17691 1 657 . 1 1 56 56 GLU HA H 1 4.609 0.020 . 1 . . . . 56 GLU HA . 17691 1 658 . 1 1 56 56 GLU HB2 H 1 2.197 0.020 . 2 . . . . 56 GLU HB2 . 17691 1 659 . 1 1 56 56 GLU HB3 H 1 1.980 0.020 . 2 . . . . 56 GLU HB3 . 17691 1 660 . 1 1 56 56 GLU HG2 H 1 2.462 0.020 . 2 . . . . 56 GLU HG2 . 17691 1 661 . 1 1 56 56 GLU HG3 H 1 2.221 0.020 . 2 . . . . 56 GLU HG3 . 17691 1 662 . 1 1 56 56 GLU C C 13 177.905 0.400 . 1 . . . . 56 GLU C . 17691 1 663 . 1 1 56 56 GLU CA C 13 58.289 0.400 . 1 . . . . 56 GLU CA . 17691 1 664 . 1 1 56 56 GLU CB C 13 28.913 0.400 . 1 . . . . 56 GLU CB . 17691 1 665 . 1 1 56 56 GLU CG C 13 34.350 0.400 . 1 . . . . 56 GLU CG . 17691 1 666 . 1 1 56 56 GLU N N 15 122.696 0.400 . 1 . . . . 56 GLU N . 17691 1 667 . 1 1 57 57 ALA HA H 1 4.009 0.020 . 1 . . . . 57 ALA HA . 17691 1 668 . 1 1 57 57 ALA HB1 H 1 1.449 0.020 . 1 . . . . 57 ALA HB1 . 17691 1 669 . 1 1 57 57 ALA HB2 H 1 1.449 0.020 . 1 . . . . 57 ALA HB2 . 17691 1 670 . 1 1 57 57 ALA HB3 H 1 1.449 0.020 . 1 . . . . 57 ALA HB3 . 17691 1 671 . 1 1 57 57 ALA C C 13 179.937 0.400 . 1 . . . . 57 ALA C . 17691 1 672 . 1 1 57 57 ALA CA C 13 55.645 0.400 . 1 . . . . 57 ALA CA . 17691 1 673 . 1 1 57 57 ALA CB C 13 16.998 0.400 . 1 . . . . 57 ALA CB . 17691 1 674 . 1 1 57 57 ALA N N 15 121.271 0.400 . 1 . . . . 57 ALA N . 17691 1 675 . 1 1 58 58 LYS HA H 1 4.042 0.020 . 1 . . . . 58 LYS HA . 17691 1 676 . 1 1 58 58 LYS HB2 H 1 1.975 0.020 . 2 . . . . 58 LYS HB2 . 17691 1 677 . 1 1 58 58 LYS HB3 H 1 2.009 0.020 . 2 . . . . 58 LYS HB3 . 17691 1 678 . 1 1 58 58 LYS HG2 H 1 1.441 0.020 . 2 . . . . 58 LYS HG2 . 17691 1 679 . 1 1 58 58 LYS HG3 H 1 1.729 0.020 . 2 . . . . 58 LYS HG3 . 17691 1 680 . 1 1 58 58 LYS HD2 H 1 1.758 0.020 . 2 . . . . 58 LYS HD2 . 17691 1 681 . 1 1 58 58 LYS HD3 H 1 1.610 0.020 . 2 . . . . 58 LYS HD3 . 17691 1 682 . 1 1 58 58 LYS HE2 H 1 2.987 0.020 . 2 . . . . 58 LYS HE2 . 17691 1 683 . 1 1 58 58 LYS HE3 H 1 2.930 0.020 . 2 . . . . 58 LYS HE3 . 17691 1 684 . 1 1 58 58 LYS CA C 13 60.082 0.400 . 1 . . . . 58 LYS CA . 17691 1 685 . 1 1 58 58 LYS CB C 13 32.440 0.400 . 1 . . . . 58 LYS CB . 17691 1 686 . 1 1 58 58 LYS CG C 13 25.502 0.400 . 1 . . . . 58 LYS CG . 17691 1 687 . 1 1 58 58 LYS CD C 13 29.468 0.400 . 1 . . . . 58 LYS CD . 17691 1 688 . 1 1 58 58 LYS CE C 13 42.133 0.400 . 1 . . . . 58 LYS CE . 17691 1 689 . 1 1 58 58 LYS N N 15 118.389 0.400 . 1 . . . . 58 LYS N . 17691 1 690 . 1 1 59 59 ARG HA H 1 4.040 0.020 . 1 . . . . 59 ARG HA . 17691 1 691 . 1 1 59 59 ARG HB2 H 1 2.110 0.020 . 2 . . . . 59 ARG HB2 . 17691 1 692 . 1 1 59 59 ARG HB3 H 1 1.923 0.020 . 2 . . . . 59 ARG HB3 . 17691 1 693 . 1 1 59 59 ARG HG2 H 1 1.389 0.020 . 2 . . . . 59 ARG HG2 . 17691 1 694 . 1 1 59 59 ARG HG3 H 1 1.706 0.020 . 2 . . . . 59 ARG HG3 . 17691 1 695 . 1 1 59 59 ARG HD2 H 1 3.041 0.020 . 2 . . . . 59 ARG HD2 . 17691 1 696 . 1 1 59 59 ARG HD3 H 1 3.372 0.020 . 2 . . . . 59 ARG HD3 . 17691 1 697 . 1 1 59 59 ARG HE H 1 8.320 0.020 . 1 . . . . 59 ARG HE . 17691 1 698 . 1 1 59 59 ARG C C 13 179.586 0.400 . 1 . . . . 59 ARG C . 17691 1 699 . 1 1 59 59 ARG CA C 13 59.590 0.400 . 1 . . . . 59 ARG CA . 17691 1 700 . 1 1 59 59 ARG CB C 13 30.411 0.400 . 1 . . . . 59 ARG CB . 17691 1 701 . 1 1 59 59 ARG CG C 13 28.057 0.400 . 1 . . . . 59 ARG CG . 17691 1 702 . 1 1 59 59 ARG CD C 13 42.854 0.400 . 1 . . . . 59 ARG CD . 17691 1 703 . 1 1 59 59 ARG N N 15 122.704 0.400 . 1 . . . . 59 ARG N . 17691 1 704 . 1 1 60 60 LEU HA H 1 4.037 0.020 . 1 . . . . 60 LEU HA . 17691 1 705 . 1 1 60 60 LEU HB2 H 1 1.438 0.020 . 2 . . . . 60 LEU HB2 . 17691 1 706 . 1 1 60 60 LEU HB3 H 1 1.954 0.020 . 2 . . . . 60 LEU HB3 . 17691 1 707 . 1 1 60 60 LEU HG H 1 1.540 0.020 . 1 . . . . 60 LEU HG . 17691 1 708 . 1 1 60 60 LEU HD11 H 1 0.938 0.020 . 2 . . . . 60 LEU HD11 . 17691 1 709 . 1 1 60 60 LEU HD12 H 1 0.938 0.020 . 2 . . . . 60 LEU HD12 . 17691 1 710 . 1 1 60 60 LEU HD13 H 1 0.938 0.020 . 2 . . . . 60 LEU HD13 . 17691 1 711 . 1 1 60 60 LEU HD21 H 1 0.872 0.020 . 2 . . . . 60 LEU HD21 . 17691 1 712 . 1 1 60 60 LEU HD22 H 1 0.872 0.020 . 2 . . . . 60 LEU HD22 . 17691 1 713 . 1 1 60 60 LEU HD23 H 1 0.872 0.020 . 2 . . . . 60 LEU HD23 . 17691 1 714 . 1 1 60 60 LEU C C 13 180.103 0.400 . 1 . . . . 60 LEU C . 17691 1 715 . 1 1 60 60 LEU CA C 13 57.525 0.400 . 1 . . . . 60 LEU CA . 17691 1 716 . 1 1 60 60 LEU CB C 13 41.877 0.400 . 1 . . . . 60 LEU CB . 17691 1 717 . 1 1 60 60 LEU CG C 13 26.770 0.400 . 1 . . . . 60 LEU CG . 17691 1 718 . 1 1 60 60 LEU CD1 C 13 25.958 0.400 . 1 . . . . 60 LEU CD1 . 17691 1 719 . 1 1 60 60 LEU CD2 C 13 22.253 0.400 . 1 . . . . 60 LEU CD2 . 17691 1 720 . 1 1 60 60 LEU N N 15 119.412 0.400 . 1 . . . . 60 LEU N . 17691 1 721 . 1 1 61 61 ARG HA H 1 4.045 0.020 . 1 . . . . 61 ARG HA . 17691 1 722 . 1 1 61 61 ARG HB2 H 1 1.790 0.020 . 2 . . . . 61 ARG HB2 . 17691 1 723 . 1 1 61 61 ARG HB3 H 1 1.938 0.020 . 2 . . . . 61 ARG HB3 . 17691 1 724 . 1 1 61 61 ARG HG2 H 1 1.661 0.020 . 2 . . . . 61 ARG HG2 . 17691 1 725 . 1 1 61 61 ARG HG3 H 1 1.580 0.020 . 2 . . . . 61 ARG HG3 . 17691 1 726 . 1 1 61 61 ARG HD2 H 1 3.254 0.020 . 2 . . . . 61 ARG HD2 . 17691 1 727 . 1 1 61 61 ARG HD3 H 1 3.328 0.020 . 2 . . . . 61 ARG HD3 . 17691 1 728 . 1 1 61 61 ARG C C 13 178.186 0.400 . 1 . . . . 61 ARG C . 17691 1 729 . 1 1 61 61 ARG CA C 13 59.451 0.400 . 1 . . . . 61 ARG CA . 17691 1 730 . 1 1 61 61 ARG CB C 13 29.848 0.400 . 1 . . . . 61 ARG CB . 17691 1 731 . 1 1 61 61 ARG CG C 13 27.310 0.400 . 1 . . . . 61 ARG CG . 17691 1 732 . 1 1 61 61 ARG CD C 13 43.600 0.400 . 1 . . . . 61 ARG CD . 17691 1 733 . 1 1 61 61 ARG N N 15 120.696 0.400 . 1 . . . . 61 ARG N . 17691 1 734 . 1 1 62 62 ALA HA H 1 4.203 0.020 . 1 . . . . 62 ALA HA . 17691 1 735 . 1 1 62 62 ALA HB1 H 1 1.506 0.020 . 1 . . . . 62 ALA HB1 . 17691 1 736 . 1 1 62 62 ALA HB2 H 1 1.506 0.020 . 1 . . . . 62 ALA HB2 . 17691 1 737 . 1 1 62 62 ALA HB3 H 1 1.506 0.020 . 1 . . . . 62 ALA HB3 . 17691 1 738 . 1 1 62 62 ALA C C 13 180.023 0.400 . 1 . . . . 62 ALA C . 17691 1 739 . 1 1 62 62 ALA CA C 13 54.447 0.400 . 1 . . . . 62 ALA CA . 17691 1 740 . 1 1 62 62 ALA CB C 13 17.922 0.400 . 1 . . . . 62 ALA CB . 17691 1 741 . 1 1 62 62 ALA N N 15 121.309 0.400 . 1 . . . . 62 ALA N . 17691 1 742 . 1 1 63 63 LEU HA H 1 4.091 0.020 . 1 . . . . 63 LEU HA . 17691 1 743 . 1 1 63 63 LEU HB2 H 1 1.796 0.020 . 1 . . . . 63 LEU HB2 . 17691 1 744 . 1 1 63 63 LEU HB3 H 1 1.612 0.020 . 1 . . . . 63 LEU HB3 . 17691 1 745 . 1 1 63 63 LEU HG H 1 1.705 0.020 . 1 . . . . 63 LEU HG . 17691 1 746 . 1 1 63 63 LEU HD11 H 1 0.869 0.020 . 2 . . . . 63 LEU HD11 . 17691 1 747 . 1 1 63 63 LEU HD12 H 1 0.869 0.020 . 2 . . . . 63 LEU HD12 . 17691 1 748 . 1 1 63 63 LEU HD13 H 1 0.869 0.020 . 2 . . . . 63 LEU HD13 . 17691 1 749 . 1 1 63 63 LEU HD21 H 1 0.760 0.020 . 2 . . . . 63 LEU HD21 . 17691 1 750 . 1 1 63 63 LEU HD22 H 1 0.760 0.020 . 2 . . . . 63 LEU HD22 . 17691 1 751 . 1 1 63 63 LEU HD23 H 1 0.760 0.020 . 2 . . . . 63 LEU HD23 . 17691 1 752 . 1 1 63 63 LEU C C 13 178.543 0.400 . 1 . . . . 63 LEU C . 17691 1 753 . 1 1 63 63 LEU CA C 13 57.172 0.400 . 1 . . . . 63 LEU CA . 17691 1 754 . 1 1 63 63 LEU CB C 13 42.000 0.400 . 1 . . . . 63 LEU CB . 17691 1 755 . 1 1 63 63 LEU CG C 13 26.715 0.400 . 1 . . . . 63 LEU CG . 17691 1 756 . 1 1 63 63 LEU CD1 C 13 23.939 0.400 . 1 . . . . 63 LEU CD1 . 17691 1 757 . 1 1 63 63 LEU CD2 C 13 24.100 0.400 . 1 . . . . 63 LEU CD2 . 17691 1 758 . 1 1 63 63 LEU N N 15 119.205 0.400 . 1 . . . . 63 LEU N . 17691 1 759 . 1 1 64 64 HIS HA H 1 4.456 0.020 . 1 . . . . 64 HIS HA . 17691 1 760 . 1 1 64 64 HIS HB2 H 1 3.182 0.020 . 2 . . . . 64 HIS HB2 . 17691 1 761 . 1 1 64 64 HIS HB3 H 1 3.304 0.020 . 2 . . . . 64 HIS HB3 . 17691 1 762 . 1 1 64 64 HIS HD2 H 1 6.999 0.020 . 1 . . . . 64 HIS HD2 . 17691 1 763 . 1 1 64 64 HIS HE1 H 1 7.995 0.020 . 1 . . . . 64 HIS HE1 . 17691 1 764 . 1 1 64 64 HIS C C 13 176.684 0.400 . 1 . . . . 64 HIS C . 17691 1 765 . 1 1 64 64 HIS CA C 13 58.117 0.400 . 1 . . . . 64 HIS CA . 17691 1 766 . 1 1 64 64 HIS CB C 13 29.981 0.400 . 1 . . . . 64 HIS CB . 17691 1 767 . 1 1 64 64 HIS CD2 C 13 117.385 0.400 . 1 . . . . 64 HIS CD2 . 17691 1 768 . 1 1 64 64 HIS CE1 C 13 138.202 0.400 . 1 . . . . 64 HIS CE1 . 17691 1 769 . 1 1 64 64 HIS N N 15 118.668 0.400 . 1 . . . . 64 HIS N . 17691 1 770 . 1 1 65 65 MET HA H 1 4.098 0.020 . 1 . . . . 65 MET HA . 17691 1 771 . 1 1 65 65 MET HB2 H 1 1.825 0.020 . 2 . . . . 65 MET HB2 . 17691 1 772 . 1 1 65 65 MET HB3 H 1 1.877 0.020 . 2 . . . . 65 MET HB3 . 17691 1 773 . 1 1 65 65 MET HG2 H 1 2.717 0.020 . 2 . . . . 65 MET HG2 . 17691 1 774 . 1 1 65 65 MET HG3 H 1 2.409 0.020 . 2 . . . . 65 MET HG3 . 17691 1 775 . 1 1 65 65 MET HE1 H 1 2.089 0.020 . 1 . . . . 65 MET HE1 . 17691 1 776 . 1 1 65 65 MET HE2 H 1 2.089 0.020 . 1 . . . . 65 MET HE2 . 17691 1 777 . 1 1 65 65 MET HE3 H 1 2.089 0.020 . 1 . . . . 65 MET HE3 . 17691 1 778 . 1 1 65 65 MET C C 13 175.782 0.400 . 1 . . . . 65 MET C . 17691 1 779 . 1 1 65 65 MET CA C 13 56.954 0.400 . 1 . . . . 65 MET CA . 17691 1 780 . 1 1 65 65 MET CB C 13 32.235 0.400 . 1 . . . . 65 MET CB . 17691 1 781 . 1 1 65 65 MET CG C 13 32.185 0.400 . 1 . . . . 65 MET CG . 17691 1 782 . 1 1 65 65 MET CE C 13 17.239 0.400 . 1 . . . . 65 MET CE . 17691 1 783 . 1 1 65 65 MET N N 15 117.960 0.400 . 1 . . . . 65 MET N . 17691 1 784 . 1 1 66 66 LYS HA H 1 4.280 0.020 . 1 . . . . 66 LYS HA . 17691 1 785 . 1 1 66 66 LYS HB2 H 1 1.851 0.020 . 2 . . . . 66 LYS HB2 . 17691 1 786 . 1 1 66 66 LYS HB3 H 1 1.780 0.020 . 2 . . . . 66 LYS HB3 . 17691 1 787 . 1 1 66 66 LYS HG2 H 1 1.545 0.020 . 2 . . . . 66 LYS HG2 . 17691 1 788 . 1 1 66 66 LYS HG3 H 1 1.419 0.020 . 2 . . . . 66 LYS HG3 . 17691 1 789 . 1 1 66 66 LYS HD2 H 1 1.660 0.020 . 2 . . . . 66 LYS HD2 . 17691 1 790 . 1 1 66 66 LYS HD3 H 1 1.610 0.020 . 2 . . . . 66 LYS HD3 . 17691 1 791 . 1 1 66 66 LYS HE2 H 1 2.973 0.020 . 2 . . . . 66 LYS HE2 . 17691 1 792 . 1 1 66 66 LYS HE3 H 1 2.930 0.020 . 2 . . . . 66 LYS HE3 . 17691 1 793 . 1 1 66 66 LYS C C 13 179.120 0.400 . 1 . . . . 66 LYS C . 17691 1 794 . 1 1 66 66 LYS CA C 13 56.840 0.400 . 1 . . . . 66 LYS CA . 17691 1 795 . 1 1 66 66 LYS CB C 13 32.623 0.400 . 1 . . . . 66 LYS CB . 17691 1 796 . 1 1 66 66 LYS CG C 13 24.730 0.400 . 1 . . . . 66 LYS CG . 17691 1 797 . 1 1 66 66 LYS CD C 13 28.780 0.400 . 1 . . . . 66 LYS CD . 17691 1 798 . 1 1 66 66 LYS CE C 13 41.780 0.400 . 1 . . . . 66 LYS CE . 17691 1 799 . 1 1 66 66 LYS N N 15 118.339 0.400 . 1 . . . . 66 LYS N . 17691 1 800 . 1 1 67 67 GLU HA H 1 4.242 0.020 . 1 . . . . 67 GLU HA . 17691 1 801 . 1 1 67 67 GLU HB2 H 1 2.040 0.020 . 2 . . . . 67 GLU HB2 . 17691 1 802 . 1 1 67 67 GLU HB3 H 1 1.425 0.020 . 2 . . . . 67 GLU HB3 . 17691 1 803 . 1 1 67 67 GLU HG2 H 1 2.250 0.020 . 2 . . . . 67 GLU HG2 . 17691 1 804 . 1 1 67 67 GLU HG3 H 1 2.419 0.020 . 2 . . . . 67 GLU HG3 . 17691 1 805 . 1 1 67 67 GLU C C 13 175.923 0.400 . 1 . . . . 67 GLU C . 17691 1 806 . 1 1 67 67 GLU CA C 13 57.420 0.400 . 1 . . . . 67 GLU CA . 17691 1 807 . 1 1 67 67 GLU CB C 13 32.769 0.400 . 1 . . . . 67 GLU CB . 17691 1 808 . 1 1 67 67 GLU CG C 13 36.369 0.400 . 1 . . . . 67 GLU CG . 17691 1 809 . 1 1 67 67 GLU N N 15 117.686 0.400 . 1 . . . . 67 GLU N . 17691 1 810 . 1 1 68 68 HIS HA H 1 4.460 0.020 . 1 . . . . 68 HIS HA . 17691 1 811 . 1 1 68 68 HIS HB2 H 1 1.625 0.020 . 2 . . . . 68 HIS HB2 . 17691 1 812 . 1 1 68 68 HIS HB3 H 1 1.751 0.020 . 2 . . . . 68 HIS HB3 . 17691 1 813 . 1 1 68 68 HIS HD1 H 1 7.963 0.020 . 1 . . . . 68 HIS HD1 . 17691 1 814 . 1 1 68 68 HIS HD2 H 1 7.080 0.020 . 1 . . . . 68 HIS HD2 . 17691 1 815 . 1 1 68 68 HIS HE1 H 1 8.080 0.020 . 1 . . . . 68 HIS HE1 . 17691 1 816 . 1 1 68 68 HIS CA C 13 53.604 0.400 . 1 . . . . 68 HIS CA . 17691 1 817 . 1 1 68 68 HIS CB C 13 30.267 0.400 . 1 . . . . 68 HIS CB . 17691 1 818 . 1 1 68 68 HIS CD2 C 13 121.616 0.400 . 1 . . . . 68 HIS CD2 . 17691 1 819 . 1 1 68 68 HIS CE1 C 13 136.050 0.400 . 1 . . . . 68 HIS CE1 . 17691 1 820 . 1 1 68 68 HIS N N 15 123.010 0.400 . 1 . . . . 68 HIS N . 17691 1 821 . 1 1 69 69 PRO HA H 1 4.418 0.020 . 1 . . . . 69 PRO HA . 17691 1 822 . 1 1 69 69 PRO HB2 H 1 2.235 0.020 . 2 . . . . 69 PRO HB2 . 17691 1 823 . 1 1 69 69 PRO HB3 H 1 1.765 0.020 . 2 . . . . 69 PRO HB3 . 17691 1 824 . 1 1 69 69 PRO HG2 H 1 1.948 0.020 . 2 . . . . 69 PRO HG2 . 17691 1 825 . 1 1 69 69 PRO HG3 H 1 1.912 0.020 . 2 . . . . 69 PRO HG3 . 17691 1 826 . 1 1 69 69 PRO HD2 H 1 3.345 0.020 . 2 . . . . 69 PRO HD2 . 17691 1 827 . 1 1 69 69 PRO HD3 H 1 3.613 0.020 . 2 . . . . 69 PRO HD3 . 17691 1 828 . 1 1 69 69 PRO C C 13 176.656 0.400 . 1 . . . . 69 PRO C . 17691 1 829 . 1 1 69 69 PRO CA C 13 63.703 0.400 . 1 . . . . 69 PRO CA . 17691 1 830 . 1 1 69 69 PRO CB C 13 31.944 0.400 . 1 . . . . 69 PRO CB . 17691 1 831 . 1 1 69 69 PRO CG C 13 27.216 0.400 . 1 . . . . 69 PRO CG . 17691 1 832 . 1 1 69 69 PRO CD C 13 50.152 0.400 . 1 . . . . 69 PRO CD . 17691 1 833 . 1 1 70 70 ASP HA H 1 4.571 0.020 . 1 . . . . 70 ASP HA . 17691 1 834 . 1 1 70 70 ASP HB2 H 1 2.670 0.020 . 2 . . . . 70 ASP HB2 . 17691 1 835 . 1 1 70 70 ASP HB3 H 1 2.627 0.020 . 2 . . . . 70 ASP HB3 . 17691 1 836 . 1 1 70 70 ASP C C 13 176.289 0.400 . 1 . . . . 70 ASP C . 17691 1 837 . 1 1 70 70 ASP CA C 13 53.996 0.400 . 1 . . . . 70 ASP CA . 17691 1 838 . 1 1 70 70 ASP CB C 13 40.806 0.400 . 1 . . . . 70 ASP CB . 17691 1 839 . 1 1 70 70 ASP N N 15 119.377 0.400 . 1 . . . . 70 ASP N . 17691 1 840 . 1 1 71 71 TYR HA H 1 4.448 0.020 . 1 . . . . 71 TYR HA . 17691 1 841 . 1 1 71 71 TYR HB2 H 1 3.021 0.020 . 2 . . . . 71 TYR HB2 . 17691 1 842 . 1 1 71 71 TYR HB3 H 1 2.963 0.020 . 2 . . . . 71 TYR HB3 . 17691 1 843 . 1 1 71 71 TYR HD1 H 1 7.062 0.020 . 1 . . . . 71 TYR HD1 . 17691 1 844 . 1 1 71 71 TYR HD2 H 1 7.062 0.020 . 1 . . . . 71 TYR HD2 . 17691 1 845 . 1 1 71 71 TYR HE1 H 1 6.693 0.020 . 1 . . . . 71 TYR HE1 . 17691 1 846 . 1 1 71 71 TYR HE2 H 1 6.705 0.020 . 1 . . . . 71 TYR HE2 . 17691 1 847 . 1 1 71 71 TYR C C 13 175.806 0.400 . 1 . . . . 71 TYR C . 17691 1 848 . 1 1 71 71 TYR CA C 13 58.121 0.400 . 1 . . . . 71 TYR CA . 17691 1 849 . 1 1 71 71 TYR CB C 13 38.284 0.400 . 1 . . . . 71 TYR CB . 17691 1 850 . 1 1 71 71 TYR CE1 C 13 117.922 0.400 . 1 . . . . 71 TYR CE1 . 17691 1 851 . 1 1 71 71 TYR CE2 C 13 117.907 0.400 . 1 . . . . 71 TYR CE2 . 17691 1 852 . 1 1 71 71 TYR N N 15 121.385 0.400 . 1 . . . . 71 TYR N . 17691 1 853 . 1 1 72 72 LYS HA H 1 4.133 0.020 . 1 . . . . 72 LYS HA . 17691 1 854 . 1 1 72 72 LYS HB2 H 1 1.588 0.020 . 2 . . . . 72 LYS HB2 . 17691 1 855 . 1 1 72 72 LYS HB3 H 1 1.562 0.020 . 2 . . . . 72 LYS HB3 . 17691 1 856 . 1 1 72 72 LYS HG2 H 1 1.332 0.020 . 2 . . . . 72 LYS HG2 . 17691 1 857 . 1 1 72 72 LYS HG3 H 1 1.173 0.020 . 2 . . . . 72 LYS HG3 . 17691 1 858 . 1 1 72 72 LYS HD2 H 1 1.665 0.020 . 2 . . . . 72 LYS HD2 . 17691 1 859 . 1 1 72 72 LYS HD3 H 1 1.610 0.020 . 2 . . . . 72 LYS HD3 . 17691 1 860 . 1 1 72 72 LYS HE2 H 1 2.950 0.020 . 2 . . . . 72 LYS HE2 . 17691 1 861 . 1 1 72 72 LYS HE3 H 1 2.930 0.020 . 2 . . . . 72 LYS HE3 . 17691 1 862 . 1 1 72 72 LYS C C 13 175.650 0.400 . 1 . . . . 72 LYS C . 17691 1 863 . 1 1 72 72 LYS CA C 13 56.324 0.400 . 1 . . . . 72 LYS CA . 17691 1 864 . 1 1 72 72 LYS CB C 13 32.839 0.400 . 1 . . . . 72 LYS CB . 17691 1 865 . 1 1 72 72 LYS CG C 13 24.179 0.400 . 1 . . . . 72 LYS CG . 17691 1 866 . 1 1 72 72 LYS CD C 13 28.780 0.400 . 1 . . . . 72 LYS CD . 17691 1 867 . 1 1 72 72 LYS CE C 13 41.780 0.400 . 1 . . . . 72 LYS CE . 17691 1 868 . 1 1 72 72 LYS N N 15 122.710 0.400 . 1 . . . . 72 LYS N . 17691 1 869 . 1 1 73 73 TYR HA H 1 4.437 0.020 . 1 . . . . 73 TYR HA . 17691 1 870 . 1 1 73 73 TYR HB2 H 1 2.957 0.020 . 2 . . . . 73 TYR HB2 . 17691 1 871 . 1 1 73 73 TYR HB3 H 1 2.910 0.020 . 2 . . . . 73 TYR HB3 . 17691 1 872 . 1 1 73 73 TYR HD1 H 1 7.094 0.020 . 1 . . . . 73 TYR HD1 . 17691 1 873 . 1 1 73 73 TYR HD2 H 1 7.078 0.020 . 1 . . . . 73 TYR HD2 . 17691 1 874 . 1 1 73 73 TYR HE1 H 1 6.772 0.020 . 1 . . . . 73 TYR HE1 . 17691 1 875 . 1 1 73 73 TYR HE2 H 1 6.754 0.020 . 1 . . . . 73 TYR HE2 . 17691 1 876 . 1 1 73 73 TYR C C 13 175.162 0.400 . 1 . . . . 73 TYR C . 17691 1 877 . 1 1 73 73 TYR CA C 13 57.815 0.400 . 1 . . . . 73 TYR CA . 17691 1 878 . 1 1 73 73 TYR CB C 13 38.417 0.400 . 1 . . . . 73 TYR CB . 17691 1 879 . 1 1 73 73 TYR CD1 C 13 133.003 0.400 . 1 . . . . 73 TYR CD1 . 17691 1 880 . 1 1 73 73 TYR CD2 C 13 132.260 0.400 . 1 . . . . 73 TYR CD2 . 17691 1 881 . 1 1 73 73 TYR CE1 C 13 118.000 0.400 . 1 . . . . 73 TYR CE1 . 17691 1 882 . 1 1 73 73 TYR CE2 C 13 117.910 0.400 . 1 . . . . 73 TYR CE2 . 17691 1 883 . 1 1 73 73 TYR N N 15 121.080 0.400 . 1 . . . . 73 TYR N . 17691 1 884 . 1 1 74 74 ARG HA H 1 4.513 0.020 . 1 . . . . 74 ARG HA . 17691 1 885 . 1 1 74 74 ARG HB2 H 1 1.944 0.020 . 2 . . . . 74 ARG HB2 . 17691 1 886 . 1 1 74 74 ARG HB3 H 1 1.628 0.020 . 2 . . . . 74 ARG HB3 . 17691 1 887 . 1 1 74 74 ARG HG2 H 1 1.401 0.020 . 2 . . . . 74 ARG HG2 . 17691 1 888 . 1 1 74 74 ARG HG3 H 1 1.478 0.020 . 2 . . . . 74 ARG HG3 . 17691 1 889 . 1 1 74 74 ARG HD2 H 1 3.126 0.020 . 2 . . . . 74 ARG HD2 . 17691 1 890 . 1 1 74 74 ARG HD3 H 1 3.152 0.020 . 2 . . . . 74 ARG HD3 . 17691 1 891 . 1 1 74 74 ARG CA C 13 53.376 0.400 . 1 . . . . 74 ARG CA . 17691 1 892 . 1 1 74 74 ARG CB C 13 30.325 0.400 . 1 . . . . 74 ARG CB . 17691 1 893 . 1 1 74 74 ARG CG C 13 26.760 0.400 . 1 . . . . 74 ARG CG . 17691 1 894 . 1 1 74 74 ARG CD C 13 43.393 0.400 . 1 . . . . 74 ARG CD . 17691 1 895 . 1 1 74 74 ARG N N 15 125.248 0.400 . 1 . . . . 74 ARG N . 17691 1 896 . 1 1 75 75 PRO HA H 1 4.330 0.020 . 1 . . . . 75 PRO HA . 17691 1 897 . 1 1 75 75 PRO HB2 H 1 2.251 0.020 . 2 . . . . 75 PRO HB2 . 17691 1 898 . 1 1 75 75 PRO HB3 H 1 1.844 0.020 . 2 . . . . 75 PRO HB3 . 17691 1 899 . 1 1 75 75 PRO HG2 H 1 1.518 0.020 . 2 . . . . 75 PRO HG2 . 17691 1 900 . 1 1 75 75 PRO HG3 H 1 1.949 0.020 . 2 . . . . 75 PRO HG3 . 17691 1 901 . 1 1 75 75 PRO HD2 H 1 3.640 0.020 . 2 . . . . 75 PRO HD2 . 17691 1 902 . 1 1 75 75 PRO HD3 H 1 3.630 0.020 . 2 . . . . 75 PRO HD3 . 17691 1 903 . 1 1 75 75 PRO C C 13 177.116 0.400 . 1 . . . . 75 PRO C . 17691 1 904 . 1 1 75 75 PRO CA C 13 62.382 0.400 . 1 . . . . 75 PRO CA . 17691 1 905 . 1 1 75 75 PRO CB C 13 31.683 0.400 . 1 . . . . 75 PRO CB . 17691 1 906 . 1 1 75 75 PRO CG C 13 26.936 0.400 . 1 . . . . 75 PRO CG . 17691 1 907 . 1 1 75 75 PRO CD C 13 50.280 0.400 . 1 . . . . 75 PRO CD . 17691 1 908 . 1 1 76 76 ARG HA H 1 4.269 0.020 . 1 . . . . 76 ARG HA . 17691 1 909 . 1 1 76 76 ARG HB2 H 1 2.139 0.020 . 2 . . . . 76 ARG HB2 . 17691 1 910 . 1 1 76 76 ARG HB3 H 1 1.780 0.020 . 2 . . . . 76 ARG HB3 . 17691 1 911 . 1 1 76 76 ARG HG2 H 1 1.642 0.020 . 2 . . . . 76 ARG HG2 . 17691 1 912 . 1 1 76 76 ARG HG3 H 1 1.573 0.020 . 2 . . . . 76 ARG HG3 . 17691 1 913 . 1 1 76 76 ARG HD2 H 1 3.405 0.020 . 2 . . . . 76 ARG HD2 . 17691 1 914 . 1 1 76 76 ARG HD3 H 1 3.034 0.020 . 2 . . . . 76 ARG HD3 . 17691 1 915 . 1 1 76 76 ARG C C 13 177.167 0.400 . 1 . . . . 76 ARG C . 17691 1 916 . 1 1 76 76 ARG CA C 13 56.559 0.400 . 1 . . . . 76 ARG CA . 17691 1 917 . 1 1 76 76 ARG CB C 13 30.660 0.400 . 1 . . . . 76 ARG CB . 17691 1 918 . 1 1 76 76 ARG CG C 13 24.239 0.400 . 1 . . . . 76 ARG CG . 17691 1 919 . 1 1 76 76 ARG CD C 13 43.100 0.400 . 1 . . . . 76 ARG CD . 17691 1 920 . 1 1 76 76 ARG N N 15 121.158 0.400 . 1 . . . . 76 ARG N . 17691 1 921 . 1 1 77 77 ARG HA H 1 4.270 0.020 . 1 . . . . 77 ARG HA . 17691 1 922 . 1 1 77 77 ARG HB2 H 1 1.798 0.020 . 2 . . . . 77 ARG HB2 . 17691 1 923 . 1 1 77 77 ARG HB3 H 1 2.251 0.020 . 2 . . . . 77 ARG HB3 . 17691 1 924 . 1 1 77 77 ARG HG2 H 1 1.636 0.020 . 2 . . . . 77 ARG HG2 . 17691 1 925 . 1 1 77 77 ARG HG3 H 1 1.580 0.020 . 2 . . . . 77 ARG HG3 . 17691 1 926 . 1 1 77 77 ARG HD2 H 1 3.215 0.020 . 2 . . . . 77 ARG HD2 . 17691 1 927 . 1 1 77 77 ARG HD3 H 1 3.117 0.020 . 2 . . . . 77 ARG HD3 . 17691 1 928 . 1 1 77 77 ARG C C 13 175.892 0.400 . 1 . . . . 77 ARG C . 17691 1 929 . 1 1 77 77 ARG CA C 13 56.950 0.400 . 1 . . . . 77 ARG CA . 17691 1 930 . 1 1 77 77 ARG CB C 13 32.639 0.400 . 1 . . . . 77 ARG CB . 17691 1 931 . 1 1 77 77 ARG CG C 13 27.310 0.400 . 1 . . . . 77 ARG CG . 17691 1 932 . 1 1 77 77 ARG CD C 13 41.852 0.400 . 1 . . . . 77 ARG CD . 17691 1 933 . 1 1 77 77 ARG N N 15 119.622 0.400 . 1 . . . . 77 ARG N . 17691 1 934 . 1 1 78 78 LYS HA H 1 4.345 0.020 . 1 . . . . 78 LYS HA . 17691 1 935 . 1 1 78 78 LYS HB2 H 1 1.822 0.020 . 2 . . . . 78 LYS HB2 . 17691 1 936 . 1 1 78 78 LYS HB3 H 1 1.780 0.020 . 2 . . . . 78 LYS HB3 . 17691 1 937 . 1 1 78 78 LYS HG2 H 1 1.456 0.020 . 2 . . . . 78 LYS HG2 . 17691 1 938 . 1 1 78 78 LYS HG3 H 1 1.560 0.020 . 2 . . . . 78 LYS HG3 . 17691 1 939 . 1 1 78 78 LYS HD2 H 1 1.758 0.020 . 2 . . . . 78 LYS HD2 . 17691 1 940 . 1 1 78 78 LYS HD3 H 1 1.610 0.020 . 2 . . . . 78 LYS HD3 . 17691 1 941 . 1 1 78 78 LYS HE2 H 1 3.092 0.020 . 2 . . . . 78 LYS HE2 . 17691 1 942 . 1 1 78 78 LYS HE3 H 1 2.930 0.020 . 2 . . . . 78 LYS HE3 . 17691 1 943 . 1 1 78 78 LYS C C 13 178.459 0.400 . 1 . . . . 78 LYS C . 17691 1 944 . 1 1 78 78 LYS CA C 13 56.322 0.400 . 1 . . . . 78 LYS CA . 17691 1 945 . 1 1 78 78 LYS CB C 13 32.830 0.400 . 1 . . . . 78 LYS CB . 17691 1 946 . 1 1 78 78 LYS CG C 13 24.910 0.400 . 1 . . . . 78 LYS CG . 17691 1 947 . 1 1 78 78 LYS CD C 13 28.780 0.400 . 1 . . . . 78 LYS CD . 17691 1 948 . 1 1 78 78 LYS CE C 13 41.780 0.400 . 1 . . . . 78 LYS CE . 17691 1 949 . 1 1 78 78 LYS N N 15 124.167 0.400 . 1 . . . . 78 LYS N . 17691 1 950 . 1 1 79 79 THR HA H 1 4.311 0.020 . 1 . . . . 79 THR HA . 17691 1 951 . 1 1 79 79 THR HB H 1 4.181 0.020 . 1 . . . . 79 THR HB . 17691 1 952 . 1 1 79 79 THR HG21 H 1 1.178 0.020 . 1 . . . . 79 THR HG21 . 17691 1 953 . 1 1 79 79 THR HG22 H 1 1.178 0.020 . 1 . . . . 79 THR HG22 . 17691 1 954 . 1 1 79 79 THR HG23 H 1 1.178 0.020 . 1 . . . . 79 THR HG23 . 17691 1 955 . 1 1 79 79 THR CA C 13 61.647 0.400 . 1 . . . . 79 THR CA . 17691 1 956 . 1 1 79 79 THR CB C 13 69.955 0.400 . 1 . . . . 79 THR CB . 17691 1 957 . 1 1 79 79 THR CG2 C 13 21.678 0.400 . 1 . . . . 79 THR CG2 . 17691 1 958 . 1 1 79 79 THR N N 15 116.350 0.400 . 1 . . . . 79 THR N . 17691 1 959 . 1 1 80 80 LYS HA H 1 4.368 0.020 . 1 . . . . 80 LYS HA . 17691 1 960 . 1 1 80 80 LYS HB2 H 1 1.790 0.020 . 2 . . . . 80 LYS HB2 . 17691 1 961 . 1 1 80 80 LYS HB3 H 1 1.761 0.020 . 2 . . . . 80 LYS HB3 . 17691 1 962 . 1 1 80 80 LYS HG2 H 1 1.463 0.020 . 2 . . . . 80 LYS HG2 . 17691 1 963 . 1 1 80 80 LYS HG3 H 1 1.370 0.020 . 2 . . . . 80 LYS HG3 . 17691 1 964 . 1 1 80 80 LYS HD2 H 1 1.760 0.020 . 2 . . . . 80 LYS HD2 . 17691 1 965 . 1 1 80 80 LYS HD3 H 1 1.610 0.020 . 2 . . . . 80 LYS HD3 . 17691 1 966 . 1 1 80 80 LYS HE2 H 1 3.022 0.020 . 2 . . . . 80 LYS HE2 . 17691 1 967 . 1 1 80 80 LYS HE3 H 1 2.930 0.020 . 2 . . . . 80 LYS HE3 . 17691 1 968 . 1 1 80 80 LYS CA C 13 56.589 0.400 . 1 . . . . 80 LYS CA . 17691 1 969 . 1 1 80 80 LYS CB C 13 32.830 0.400 . 1 . . . . 80 LYS CB . 17691 1 970 . 1 1 80 80 LYS CG C 13 24.910 0.400 . 1 . . . . 80 LYS CG . 17691 1 971 . 1 1 80 80 LYS CD C 13 28.780 0.400 . 1 . . . . 80 LYS CD . 17691 1 972 . 1 1 80 80 LYS CE C 13 41.780 0.400 . 1 . . . . 80 LYS CE . 17691 1 973 . 1 1 80 80 LYS N N 15 124.353 0.400 . 1 . . . . 80 LYS N . 17691 1 974 . 1 1 81 81 THR HA H 1 4.314 0.020 . 1 . . . . 81 THR HA . 17691 1 975 . 1 1 81 81 THR HB H 1 4.206 0.020 . 1 . . . . 81 THR HB . 17691 1 976 . 1 1 81 81 THR HG21 H 1 1.180 0.020 . 1 . . . . 81 THR HG21 . 17691 1 977 . 1 1 81 81 THR HG22 H 1 1.180 0.020 . 1 . . . . 81 THR HG22 . 17691 1 978 . 1 1 81 81 THR HG23 H 1 1.180 0.020 . 1 . . . . 81 THR HG23 . 17691 1 979 . 1 1 81 81 THR CA C 13 63.275 0.400 . 1 . . . . 81 THR CA . 17691 1 980 . 1 1 81 81 THR CB C 13 70.158 0.400 . 1 . . . . 81 THR CB . 17691 1 981 . 1 1 81 81 THR CG2 C 13 21.839 0.400 . 1 . . . . 81 THR CG2 . 17691 1 982 . 1 1 81 81 THR N N 15 121.147 0.400 . 1 . . . . 81 THR N . 17691 1 stop_ save_