data_17014 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17014 _Entry.Title ; Backbone 1H,13C and 15N assignments of ChxR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-22 _Entry.Accession_date 2010-06-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 John Hickey . . . 17014 2 Scott Hefty . . . 17014 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17014 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 17014 '15N chemical shifts' 111 17014 '1H chemical shifts' 728 17014 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-07-15 2010-06-22 update BMRB 'update entry citation' 17014 1 . . 2014-03-24 2010-06-22 original author 'original release' 17014 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17014 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1371/journal.pone.0091760 _Citation.PubMed_ID 24646934 _Citation.Full_citation . _Citation.Title 'Atypical response regulator ChxR from Chlamydia trachomatis is structurally poised for DNA binding.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 9 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _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 e91760 _Citation.Page_last e91760 _Citation.Year 2014 _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 Michael Barta M. L. . 17014 1 2 John Hickey J. M. . 17014 1 3 Asokan Anbanandam A. . . 17014 1 4 Kevin Dyer K. . . 17014 1 5 Michal Hammel M. . . 17014 1 6 'P Scott' Hefty P. S. . 17014 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 17014 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17014 _Assembly.ID 1 _Assembly.Name 'ChxR monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'ChxR monomer' 1 $ChxR_effector_domain A . yes native no no . . . 17014 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ChxR_effector_domain _Entity.Sf_category entity _Entity.Sf_framecode ChxR_effector_domain _Entity.Entry_ID 17014 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ChxR_effector_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HSVPESIRFGPNVFYVLKLT VETPEGSVHLTPSESGILKR LLINKGQLCLRKHLLEEIKN HAKAIVARNVDVHIASLRKK LGAYGSRIVTLRGVGYLFSD DGDKKFSQQDTKLSLE ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2M1B . "Solution Structure Of The Chxr Dna-binding Domain" . . . . . 100.00 122 100.00 100.00 1.62e-76 . . . . 17014 1 2 no EMBL CAP04331 . "transcriptional regulatory protein [Chlamydia trachomatis 434/Bu]" . . . . . 98.28 227 100.00 100.00 4.97e-74 . . . . 17014 1 3 no EMBL CAP07285 . "transcriptional regulatory protein [Chlamydia trachomatis L2b/UCH-1/proctitis]" . . . . . 98.28 227 100.00 100.00 4.97e-74 . . . . 17014 1 4 no EMBL CAX09301 . "transcriptional regulatory protein [Chlamydia trachomatis A2497]" . . . . . 98.28 227 99.12 100.00 4.38e-73 . . . . 17014 1 5 no EMBL CAX10195 . "transcriptional regulatory protein [Chlamydia trachomatis B/TZ1A828/OT]" . . . . . 98.28 227 99.12 100.00 4.38e-73 . . . . 17014 1 6 no EMBL CAX11088 . "transcriptional regulatory protein [Chlamydia trachomatis B/Jali20/OT]" . . . . . 98.28 227 99.12 100.00 3.23e-73 . . . . 17014 1 7 no GB AAC68234 . "HTH Transcriptional Regulatory Protein and Receiver Domain [Chlamydia trachomatis D/UW-3/CX]" . . . . . 98.28 227 99.12 100.00 3.26e-73 . . . . 17014 1 8 no GB AAX50907 . "CpxR [Chlamydia trachomatis A/HAR-13]" . . . . . 98.28 227 99.12 100.00 3.88e-73 . . . . 17014 1 9 no GB ADH17418 . "CpxR [Chlamydia trachomatis E/150]" . . . . . 98.28 227 99.12 100.00 3.76e-73 . . . . 17014 1 10 no GB ADH18341 . "CpxR [Chlamydia trachomatis G/9768]" . . . . . 98.28 227 99.12 100.00 3.88e-73 . . . . 17014 1 11 no GB ADH19265 . "CpxR [Chlamydia trachomatis G/11222]" . . . . . 98.28 227 99.12 100.00 3.88e-73 . . . . 17014 1 12 no REF NP_220147 . "transcriptional regulator [Chlamydia trachomatis D/UW-3/CX]" . . . . . 98.28 227 99.12 100.00 3.26e-73 . . . . 17014 1 13 no REF WP_009871999 . "transcriptional regulator [Chlamydia trachomatis]" . . . . . 98.28 227 99.12 100.00 3.88e-73 . . . . 17014 1 14 no REF WP_009872804 . "transcriptional regulator [Chlamydia trachomatis]" . . . . . 98.28 227 99.12 100.00 3.76e-73 . . . . 17014 1 15 no REF WP_009873961 . "transcriptional regulator [Chlamydia trachomatis]" . . . . . 98.28 227 100.00 100.00 4.97e-74 . . . . 17014 1 16 no REF WP_010725282 . "transcriptional regulator [Chlamydia trachomatis]" . . . . . 98.28 227 99.12 100.00 3.26e-73 . . . . 17014 1 17 no SP A0A0H3MDW1 . "RecName: Full=Atypical response regulator protein ChxR; AltName: Full=Transcriptional regulatory protein" . . . . . 98.28 227 100.00 100.00 4.97e-74 . . . . 17014 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 . HIS . 17014 1 2 . SER . 17014 1 3 . VAL . 17014 1 4 . PRO . 17014 1 5 . GLU . 17014 1 6 . SER . 17014 1 7 . ILE . 17014 1 8 . ARG . 17014 1 9 . PHE . 17014 1 10 . GLY . 17014 1 11 . PRO . 17014 1 12 . ASN . 17014 1 13 . VAL . 17014 1 14 . PHE . 17014 1 15 . TYR . 17014 1 16 . VAL . 17014 1 17 . LEU . 17014 1 18 . LYS . 17014 1 19 . LEU . 17014 1 20 . THR . 17014 1 21 . VAL . 17014 1 22 . GLU . 17014 1 23 . THR . 17014 1 24 . PRO . 17014 1 25 . GLU . 17014 1 26 . GLY . 17014 1 27 . SER . 17014 1 28 . VAL . 17014 1 29 . HIS . 17014 1 30 . LEU . 17014 1 31 . THR . 17014 1 32 . PRO . 17014 1 33 . SER . 17014 1 34 . GLU . 17014 1 35 . SER . 17014 1 36 . GLY . 17014 1 37 . ILE . 17014 1 38 . LEU . 17014 1 39 . LYS . 17014 1 40 . ARG . 17014 1 41 . LEU . 17014 1 42 . LEU . 17014 1 43 . ILE . 17014 1 44 . ASN . 17014 1 45 . LYS . 17014 1 46 . GLY . 17014 1 47 . GLN . 17014 1 48 . LEU . 17014 1 49 . CYS . 17014 1 50 . LEU . 17014 1 51 . ARG . 17014 1 52 . LYS . 17014 1 53 . HIS . 17014 1 54 . LEU . 17014 1 55 . LEU . 17014 1 56 . GLU . 17014 1 57 . GLU . 17014 1 58 . ILE . 17014 1 59 . LYS . 17014 1 60 . ASN . 17014 1 61 . HIS . 17014 1 62 . ALA . 17014 1 63 . LYS . 17014 1 64 . ALA . 17014 1 65 . ILE . 17014 1 66 . VAL . 17014 1 67 . ALA . 17014 1 68 . ARG . 17014 1 69 . ASN . 17014 1 70 . VAL . 17014 1 71 . ASP . 17014 1 72 . VAL . 17014 1 73 . HIS . 17014 1 74 . ILE . 17014 1 75 . ALA . 17014 1 76 . SER . 17014 1 77 . LEU . 17014 1 78 . ARG . 17014 1 79 . LYS . 17014 1 80 . LYS . 17014 1 81 . LEU . 17014 1 82 . GLY . 17014 1 83 . ALA . 17014 1 84 . TYR . 17014 1 85 . GLY . 17014 1 86 . SER . 17014 1 87 . ARG . 17014 1 88 . ILE . 17014 1 89 . VAL . 17014 1 90 . THR . 17014 1 91 . LEU . 17014 1 92 . ARG . 17014 1 93 . GLY . 17014 1 94 . VAL . 17014 1 95 . GLY . 17014 1 96 . TYR . 17014 1 97 . LEU . 17014 1 98 . PHE . 17014 1 99 . SER . 17014 1 100 . ASP . 17014 1 101 . ASP . 17014 1 102 . GLY . 17014 1 103 . ASP . 17014 1 104 . LYS . 17014 1 105 . LYS . 17014 1 106 . PHE . 17014 1 107 . SER . 17014 1 108 . GLN . 17014 1 109 . GLN . 17014 1 110 . ASP . 17014 1 111 . THR . 17014 1 112 . LYS . 17014 1 113 . LEU . 17014 1 114 . SER . 17014 1 115 . LEU . 17014 1 116 . GLU . 17014 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 . HIS 1 1 17014 1 . SER 2 2 17014 1 . VAL 3 3 17014 1 . PRO 4 4 17014 1 . GLU 5 5 17014 1 . SER 6 6 17014 1 . ILE 7 7 17014 1 . ARG 8 8 17014 1 . PHE 9 9 17014 1 . GLY 10 10 17014 1 . PRO 11 11 17014 1 . ASN 12 12 17014 1 . VAL 13 13 17014 1 . PHE 14 14 17014 1 . TYR 15 15 17014 1 . VAL 16 16 17014 1 . LEU 17 17 17014 1 . LYS 18 18 17014 1 . LEU 19 19 17014 1 . THR 20 20 17014 1 . VAL 21 21 17014 1 . GLU 22 22 17014 1 . THR 23 23 17014 1 . PRO 24 24 17014 1 . GLU 25 25 17014 1 . GLY 26 26 17014 1 . SER 27 27 17014 1 . VAL 28 28 17014 1 . HIS 29 29 17014 1 . LEU 30 30 17014 1 . THR 31 31 17014 1 . PRO 32 32 17014 1 . SER 33 33 17014 1 . GLU 34 34 17014 1 . SER 35 35 17014 1 . GLY 36 36 17014 1 . ILE 37 37 17014 1 . LEU 38 38 17014 1 . LYS 39 39 17014 1 . ARG 40 40 17014 1 . LEU 41 41 17014 1 . LEU 42 42 17014 1 . ILE 43 43 17014 1 . ASN 44 44 17014 1 . LYS 45 45 17014 1 . GLY 46 46 17014 1 . GLN 47 47 17014 1 . LEU 48 48 17014 1 . CYS 49 49 17014 1 . LEU 50 50 17014 1 . ARG 51 51 17014 1 . LYS 52 52 17014 1 . HIS 53 53 17014 1 . LEU 54 54 17014 1 . LEU 55 55 17014 1 . GLU 56 56 17014 1 . GLU 57 57 17014 1 . ILE 58 58 17014 1 . LYS 59 59 17014 1 . ASN 60 60 17014 1 . HIS 61 61 17014 1 . ALA 62 62 17014 1 . LYS 63 63 17014 1 . ALA 64 64 17014 1 . ILE 65 65 17014 1 . VAL 66 66 17014 1 . ALA 67 67 17014 1 . ARG 68 68 17014 1 . ASN 69 69 17014 1 . VAL 70 70 17014 1 . ASP 71 71 17014 1 . VAL 72 72 17014 1 . HIS 73 73 17014 1 . ILE 74 74 17014 1 . ALA 75 75 17014 1 . SER 76 76 17014 1 . LEU 77 77 17014 1 . ARG 78 78 17014 1 . LYS 79 79 17014 1 . LYS 80 80 17014 1 . LEU 81 81 17014 1 . GLY 82 82 17014 1 . ALA 83 83 17014 1 . TYR 84 84 17014 1 . GLY 85 85 17014 1 . SER 86 86 17014 1 . ARG 87 87 17014 1 . ILE 88 88 17014 1 . VAL 89 89 17014 1 . THR 90 90 17014 1 . LEU 91 91 17014 1 . ARG 92 92 17014 1 . GLY 93 93 17014 1 . VAL 94 94 17014 1 . GLY 95 95 17014 1 . TYR 96 96 17014 1 . LEU 97 97 17014 1 . PHE 98 98 17014 1 . SER 99 99 17014 1 . ASP 100 100 17014 1 . ASP 101 101 17014 1 . GLY 102 102 17014 1 . ASP 103 103 17014 1 . LYS 104 104 17014 1 . LYS 105 105 17014 1 . PHE 106 106 17014 1 . SER 107 107 17014 1 . GLN 108 108 17014 1 . GLN 109 109 17014 1 . ASP 110 110 17014 1 . THR 111 111 17014 1 . LYS 112 112 17014 1 . LEU 113 113 17014 1 . SER 114 114 17014 1 . LEU 115 115 17014 1 . GLU 116 116 17014 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 17014 _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 $ChxR_effector_domain . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17014 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 17014 _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 $ChxR_effector_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET29b . . . . . . 17014 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17014 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ChxR effector domain' '[U-100% 13C; U-100% 15N]' . . 1 $ChxR_effector_domain . . 1.0 . . mM . . . . 17014 1 2 NaCl 'natural abundance' . . . . . . 400 . . mM . . . . 17014 1 3 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 17014 1 4 KH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 17014 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17014 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17014 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 17014 _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 17014 1 pH 6.8 . pH 17014 1 pressure 1 . atm 17014 1 temperature 298 . K 17014 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17014 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17014 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17014 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 17014 _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 17014 _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 . . . 17014 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 17014 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17014 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17014 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17014 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17014 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17014 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17014 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17014 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17014 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17014 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17014 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17014 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17014 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17014 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17014 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17014 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17014 1 2 '3D HNCA' . . . 17014 1 3 '3D HN(CO)CA' . . . 17014 1 4 '3D HNCO' . . . 17014 1 5 '3D HNCACB' . . . 17014 1 6 '3D CBCA(CO)NH' . . . 17014 1 7 '2D 1H-13C HSQC' . . . 17014 1 8 '3D 1H-13C NOESY' . . . 17014 1 9 '3D 1H-15N NOESY' . . . 17014 1 10 '3D HCCH-TOCSY' . . . 17014 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 2 2 SER HA H 1 4.41 0.02 . . . . . A 2 SER HA . 17014 1 2 . 1 1 2 2 SER HB2 H 1 3.79 0.02 . . . . . A 2 SER HB2 . 17014 1 3 . 1 1 2 2 SER HB3 H 1 3.79 0.02 . . . . . A 2 SER HB3 . 17014 1 4 . 1 1 2 2 SER C C 13 173.78 0.30 . . . . . A 2 SER C . 17014 1 5 . 1 1 2 2 SER CA C 13 58.23 0.30 . . . . . A 2 SER CA . 17014 1 6 . 1 1 2 2 SER CB C 13 63.80 0.30 . . . . . A 2 SER CB . 17014 1 7 . 1 1 3 3 VAL H H 1 8.26 0.02 . . . . . A 3 VAL H . 17014 1 8 . 1 1 3 3 VAL HA H 1 4.38 0.02 . . . . . A 3 VAL HA . 17014 1 9 . 1 1 3 3 VAL HB H 1 1.98 0.02 . . . . . A 3 VAL HB . 17014 1 10 . 1 1 3 3 VAL C C 13 173.99 0.30 . . . . . A 3 VAL C . 17014 1 11 . 1 1 3 3 VAL CA C 13 59.70 0.30 . . . . . A 3 VAL CA . 17014 1 12 . 1 1 3 3 VAL CB C 13 32.84 0.30 . . . . . A 3 VAL CB . 17014 1 13 . 1 1 3 3 VAL N N 15 123.92 0.30 . . . . . A 3 VAL N . 17014 1 14 . 1 1 4 4 PRO HA H 1 4.40 0.02 . . . . . A 4 PRO HA . 17014 1 15 . 1 1 4 4 PRO HB2 H 1 2.29 0.02 . . . . . A 4 PRO HB2 . 17014 1 16 . 1 1 4 4 PRO HB3 H 1 1.82 0.02 . . . . . A 4 PRO HB3 . 17014 1 17 . 1 1 4 4 PRO HG2 H 1 1.99 0.02 . . . . . A 4 PRO HG2 . 17014 1 18 . 1 1 4 4 PRO HG3 H 1 1.93 0.02 . . . . . A 4 PRO HG3 . 17014 1 19 . 1 1 4 4 PRO HD2 H 1 3.86 0.02 . . . . . A 4 PRO HD2 . 17014 1 20 . 1 1 4 4 PRO HD3 H 1 3.51 0.02 . . . . . A 4 PRO HD3 . 17014 1 21 . 1 1 4 4 PRO C C 13 175.71 0.30 . . . . . A 4 PRO C . 17014 1 22 . 1 1 4 4 PRO CA C 13 62.71 0.30 . . . . . A 4 PRO CA . 17014 1 23 . 1 1 4 4 PRO CB C 13 32.35 0.30 . . . . . A 4 PRO CB . 17014 1 24 . 1 1 4 4 PRO CG C 13 27.43 0.30 . . . . . A 4 PRO CG . 17014 1 25 . 1 1 4 4 PRO CD C 13 51.03 0.30 . . . . . A 4 PRO CD . 17014 1 26 . 1 1 5 5 GLU H H 1 8.43 0.02 . . . . . A 5 GLU H . 17014 1 27 . 1 1 5 5 GLU HA H 1 4.06 0.02 . . . . . A 5 GLU HA . 17014 1 28 . 1 1 5 5 GLU HB2 H 1 2.04 0.02 . . . . . A 5 GLU HB2 . 17014 1 29 . 1 1 5 5 GLU HB3 H 1 1.99 0.02 . . . . . A 5 GLU HB3 . 17014 1 30 . 1 1 5 5 GLU HG2 H 1 2.32 0.02 . . . . . A 5 GLU HG2 . 17014 1 31 . 1 1 5 5 GLU HG3 H 1 2.18 0.02 . . . . . A 5 GLU HG3 . 17014 1 32 . 1 1 5 5 GLU C C 13 176.79 0.30 . . . . . A 5 GLU C . 17014 1 33 . 1 1 5 5 GLU CA C 13 57.92 0.30 . . . . . A 5 GLU CA . 17014 1 34 . 1 1 5 5 GLU CB C 13 30.13 0.30 . . . . . A 5 GLU CB . 17014 1 35 . 1 1 5 5 GLU CG C 13 37.00 0.30 . . . . . A 5 GLU CG . 17014 1 36 . 1 1 5 5 GLU N N 15 118.43 0.30 . . . . . A 5 GLU N . 17014 1 37 . 1 1 6 6 SER H H 1 7.71 0.02 . . . . . A 6 SER H . 17014 1 38 . 1 1 6 6 SER HA H 1 5.26 0.02 . . . . . A 6 SER HA . 17014 1 39 . 1 1 6 6 SER HB2 H 1 3.44 0.02 . . . . . A 6 SER HB2 . 17014 1 40 . 1 1 6 6 SER HB3 H 1 3.07 0.02 . . . . . A 6 SER HB3 . 17014 1 41 . 1 1 6 6 SER C C 13 172.87 0.30 . . . . . A 6 SER C . 17014 1 42 . 1 1 6 6 SER CA C 13 56.01 0.30 . . . . . A 6 SER CA . 17014 1 43 . 1 1 6 6 SER CB C 13 65.82 0.30 . . . . . A 6 SER CB . 17014 1 44 . 1 1 6 6 SER N N 15 112.30 0.30 . . . . . A 6 SER N . 17014 1 45 . 1 1 7 7 ILE H H 1 8.64 0.02 . . . . . A 7 ILE H . 17014 1 46 . 1 1 7 7 ILE HA H 1 4.21 0.02 . . . . . A 7 ILE HA . 17014 1 47 . 1 1 7 7 ILE HB H 1 1.61 0.02 . . . . . A 7 ILE HB . 17014 1 48 . 1 1 7 7 ILE HG12 H 1 1.28 0.30 . . . . . A 7 ILE HG12 . 17014 1 49 . 1 1 7 7 ILE HG13 H 1 1.28 0.30 . . . . . A 7 ILE HG13 . 17014 1 50 . 1 1 7 7 ILE HG21 H 1 0.89 0.30 . . . . . A 7 ILE HG21 . 17014 1 51 . 1 1 7 7 ILE HG22 H 1 0.89 0.30 . . . . . A 7 ILE HG22 . 17014 1 52 . 1 1 7 7 ILE HG23 H 1 0.89 0.30 . . . . . A 7 ILE HG23 . 17014 1 53 . 1 1 7 7 ILE HD11 H 1 0.73 0.02 . . . . . A 7 ILE HD11 . 17014 1 54 . 1 1 7 7 ILE HD12 H 1 0.73 0.02 . . . . . A 7 ILE HD12 . 17014 1 55 . 1 1 7 7 ILE HD13 H 1 0.73 0.02 . . . . . A 7 ILE HD13 . 17014 1 56 . 1 1 7 7 ILE C C 13 174.89 0.30 . . . . . A 7 ILE C . 17014 1 57 . 1 1 7 7 ILE CA C 13 61.09 0.30 . . . . . A 7 ILE CA . 17014 1 58 . 1 1 7 7 ILE CB C 13 42.38 0.30 . . . . . A 7 ILE CB . 17014 1 59 . 1 1 7 7 ILE CG1 C 13 27.07 0.30 . . . . . A 7 ILE CG1 . 17014 1 60 . 1 1 7 7 ILE CG2 C 13 18.36 0.30 . . . . . A 7 ILE CG2 . 17014 1 61 . 1 1 7 7 ILE CD1 C 13 14.46 0.30 . . . . . A 7 ILE CD1 . 17014 1 62 . 1 1 7 7 ILE N N 15 120.48 0.30 . . . . . A 7 ILE N . 17014 1 63 . 1 1 8 8 ARG H H 1 8.98 0.02 . . . . . A 8 ARG H . 17014 1 64 . 1 1 8 8 ARG HA H 1 4.96 0.02 . . . . . A 8 ARG HA . 17014 1 65 . 1 1 8 8 ARG HB2 H 1 1.82 0.02 . . . . . A 8 ARG HB2 . 17014 1 66 . 1 1 8 8 ARG HB3 H 1 1.68 0.02 . . . . . A 8 ARG HB3 . 17014 1 67 . 1 1 8 8 ARG HG2 H 1 1.64 0.02 . . . . . A 8 ARG HG2 . 17014 1 68 . 1 1 8 8 ARG HG3 H 1 1.43 0.02 . . . . . A 8 ARG HG3 . 17014 1 69 . 1 1 8 8 ARG HD2 H 1 3.16 0.02 . . . . . A 8 ARG HD2 . 17014 1 70 . 1 1 8 8 ARG HD3 H 1 3.08 0.02 . . . . . A 8 ARG HD3 . 17014 1 71 . 1 1 8 8 ARG C C 13 176.46 0.30 . . . . . A 8 ARG C . 17014 1 72 . 1 1 8 8 ARG CA C 13 55.58 0.30 . . . . . A 8 ARG CA . 17014 1 73 . 1 1 8 8 ARG CB C 13 31.30 0.30 . . . . . A 8 ARG CB . 17014 1 74 . 1 1 8 8 ARG CG C 13 28.16 0.30 . . . . . A 8 ARG CG . 17014 1 75 . 1 1 8 8 ARG CD C 13 42.99 0.30 . . . . . A 8 ARG CD . 17014 1 76 . 1 1 8 8 ARG N N 15 129.19 0.30 . . . . . A 8 ARG N . 17014 1 77 . 1 1 9 9 PHE H H 1 8.22 0.02 . . . . . A 9 PHE H . 17014 1 78 . 1 1 9 9 PHE HA H 1 4.84 0.02 . . . . . A 9 PHE HA . 17014 1 79 . 1 1 9 9 PHE HB2 H 1 2.94 0.02 . . . . . A 9 PHE HB2 . 17014 1 80 . 1 1 9 9 PHE HB3 H 1 2.88 0.02 . . . . . A 9 PHE HB3 . 17014 1 81 . 1 1 9 9 PHE C C 13 174.11 0.30 . . . . . A 9 PHE C . 17014 1 82 . 1 1 9 9 PHE CA C 13 55.47 0.30 . . . . . A 9 PHE CA . 17014 1 83 . 1 1 9 9 PHE CB C 13 39.14 0.30 . . . . . A 9 PHE CB . 17014 1 84 . 1 1 9 9 PHE N N 15 120.90 0.30 . . . . . A 9 PHE N . 17014 1 85 . 1 1 10 10 GLY H H 1 9.35 0.02 . . . . . A 10 GLY H . 17014 1 86 . 1 1 10 10 GLY HA2 H 1 4.06 0.02 . . . . . A 10 GLY HA2 . 17014 1 87 . 1 1 10 10 GLY HA3 H 1 3.65 0.02 . . . . . A 10 GLY HA3 . 17014 1 88 . 1 1 10 10 GLY CA C 13 44.99 0.30 . . . . . A 10 GLY CA . 17014 1 89 . 1 1 10 10 GLY N N 15 118.19 0.30 . . . . . A 10 GLY N . 17014 1 90 . 1 1 11 11 PRO HA H 1 4.52 0.02 . . . . . A 11 PRO HA . 17014 1 91 . 1 1 11 11 PRO HB2 H 1 2.00 0.02 . . . . . A 11 PRO HB2 . 17014 1 92 . 1 1 11 11 PRO HB3 H 1 2.00 0.02 . . . . . A 11 PRO HB3 . 17014 1 93 . 1 1 11 11 PRO HG2 H 1 2.06 0.02 . . . . . A 11 PRO HG2 . 17014 1 94 . 1 1 11 11 PRO HG3 H 1 1.48 0.02 . . . . . A 11 PRO HG3 . 17014 1 95 . 1 1 11 11 PRO HD2 H 1 3.62 0.02 . . . . . A 11 PRO HD2 . 17014 1 96 . 1 1 11 11 PRO HD3 H 1 3.41 0.02 . . . . . A 11 PRO HD3 . 17014 1 97 . 1 1 11 11 PRO C C 13 174.59 0.30 . . . . . A 11 PRO C . 17014 1 98 . 1 1 11 11 PRO CA C 13 63.07 0.30 . . . . . A 11 PRO CA . 17014 1 99 . 1 1 11 11 PRO CB C 13 31.83 0.30 . . . . . A 11 PRO CB . 17014 1 100 . 1 1 11 11 PRO CG C 13 25.26 0.30 . . . . . A 11 PRO CG . 17014 1 101 . 1 1 11 11 PRO CD C 13 50.09 0.30 . . . . . A 11 PRO CD . 17014 1 102 . 1 1 12 12 ASN H H 1 7.53 0.02 . . . . . A 12 ASN H . 17014 1 103 . 1 1 12 12 ASN HA H 1 4.89 0.02 . . . . . A 12 ASN HA . 17014 1 104 . 1 1 12 12 ASN HB2 H 1 1.37 0.02 . . . . . A 12 ASN HB2 . 17014 1 105 . 1 1 12 12 ASN HB3 H 1 0.87 0.02 . . . . . A 12 ASN HB3 . 17014 1 106 . 1 1 12 12 ASN HD21 H 1 7.46 0.02 . . . . . A 12 ASN HD21 . 17014 1 107 . 1 1 12 12 ASN HD22 H 1 7.07 0.02 . . . . . A 12 ASN HD22 . 17014 1 108 . 1 1 12 12 ASN C C 13 174.61 0.30 . . . . . A 12 ASN C . 17014 1 109 . 1 1 12 12 ASN CA C 13 52.02 0.30 . . . . . A 12 ASN CA . 17014 1 110 . 1 1 12 12 ASN CB C 13 40.46 0.30 . . . . . A 12 ASN CB . 17014 1 111 . 1 1 12 12 ASN N N 15 118.63 0.30 . . . . . A 12 ASN N . 17014 1 112 . 1 1 12 12 ASN ND2 N 15 113.81 0.30 . . . . . A 12 ASN ND2 . 17014 1 113 . 1 1 13 13 VAL H H 1 8.40 0.02 . . . . . A 13 VAL H . 17014 1 114 . 1 1 13 13 VAL HA H 1 4.24 0.02 . . . . . A 13 VAL HA . 17014 1 115 . 1 1 13 13 VAL HB H 1 1.74 0.02 . . . . . A 13 VAL HB . 17014 1 116 . 1 1 13 13 VAL HG11 H 1 0.65 0.02 . . . . . A 13 VAL HG11 . 17014 1 117 . 1 1 13 13 VAL HG12 H 1 0.65 0.02 . . . . . A 13 VAL HG12 . 17014 1 118 . 1 1 13 13 VAL HG13 H 1 0.65 0.02 . . . . . A 13 VAL HG13 . 17014 1 119 . 1 1 13 13 VAL HG21 H 1 0.20 0.02 . . . . . A 13 VAL HG21 . 17014 1 120 . 1 1 13 13 VAL HG22 H 1 0.20 0.02 . . . . . A 13 VAL HG22 . 17014 1 121 . 1 1 13 13 VAL HG23 H 1 0.20 0.02 . . . . . A 13 VAL HG23 . 17014 1 122 . 1 1 13 13 VAL C C 13 173.47 0.30 . . . . . A 13 VAL C . 17014 1 123 . 1 1 13 13 VAL CA C 13 61.95 0.30 . . . . . A 13 VAL CA . 17014 1 124 . 1 1 13 13 VAL CB C 13 34.88 0.30 . . . . . A 13 VAL CB . 17014 1 125 . 1 1 13 13 VAL CG1 C 13 20.31 0.30 . . . . . A 13 VAL CG1 . 17014 1 126 . 1 1 13 13 VAL CG2 C 13 21.14 0.30 . . . . . A 13 VAL CG2 . 17014 1 127 . 1 1 13 13 VAL N N 15 119.11 0.30 . . . . . A 13 VAL N . 17014 1 128 . 1 1 14 14 PHE H H 1 9.21 0.02 . . . . . A 14 PHE H . 17014 1 129 . 1 1 14 14 PHE HA H 1 5.39 0.02 . . . . . A 14 PHE HA . 17014 1 130 . 1 1 14 14 PHE HB2 H 1 3.32 0.02 . . . . . A 14 PHE HB2 . 17014 1 131 . 1 1 14 14 PHE HB3 H 1 3.08 0.02 . . . . . A 14 PHE HB3 . 17014 1 132 . 1 1 14 14 PHE C C 13 173.65 0.30 . . . . . A 14 PHE C . 17014 1 133 . 1 1 14 14 PHE CA C 13 52.90 0.30 . . . . . A 14 PHE CA . 17014 1 134 . 1 1 14 14 PHE CB C 13 39.65 0.30 . . . . . A 14 PHE CB . 17014 1 135 . 1 1 14 14 PHE N N 15 127.52 0.30 . . . . . A 14 PHE N . 17014 1 136 . 1 1 15 15 TYR H H 1 9.20 0.02 . . . . . A 15 TYR H . 17014 1 137 . 1 1 15 15 TYR HA H 1 4.52 0.02 . . . . . A 15 TYR HA . 17014 1 138 . 1 1 15 15 TYR HB2 H 1 3.04 0.02 . . . . . A 15 TYR HB2 . 17014 1 139 . 1 1 15 15 TYR HB3 H 1 2.90 0.02 . . . . . A 15 TYR HB3 . 17014 1 140 . 1 1 15 15 TYR C C 13 175.60 0.30 . . . . . A 15 TYR C . 17014 1 141 . 1 1 15 15 TYR CA C 13 58.30 0.30 . . . . . A 15 TYR CA . 17014 1 142 . 1 1 15 15 TYR CB C 13 37.30 0.30 . . . . . A 15 TYR CB . 17014 1 143 . 1 1 15 15 TYR N N 15 129.88 0.30 . . . . . A 15 TYR N . 17014 1 144 . 1 1 16 16 VAL H H 1 6.86 0.02 . . . . . A 16 VAL H . 17014 1 145 . 1 1 16 16 VAL HA H 1 2.55 0.02 . . . . . A 16 VAL HA . 17014 1 146 . 1 1 16 16 VAL HB H 1 1.61 0.02 . . . . . A 16 VAL HB . 17014 1 147 . 1 1 16 16 VAL HG11 H 1 0.57 0.02 . . . . . A 16 VAL HG11 . 17014 1 148 . 1 1 16 16 VAL HG12 H 1 0.57 0.02 . . . . . A 16 VAL HG12 . 17014 1 149 . 1 1 16 16 VAL HG13 H 1 0.57 0.02 . . . . . A 16 VAL HG13 . 17014 1 150 . 1 1 16 16 VAL HG21 H 1 0.20 0.02 . . . . . A 16 VAL HG21 . 17014 1 151 . 1 1 16 16 VAL HG22 H 1 0.20 0.02 . . . . . A 16 VAL HG22 . 17014 1 152 . 1 1 16 16 VAL HG23 H 1 0.20 0.02 . . . . . A 16 VAL HG23 . 17014 1 153 . 1 1 16 16 VAL C C 13 178.45 0.30 . . . . . A 16 VAL C . 17014 1 154 . 1 1 16 16 VAL CA C 13 65.20 0.30 . . . . . A 16 VAL CA . 17014 1 155 . 1 1 16 16 VAL CB C 13 32.12 0.30 . . . . . A 16 VAL CB . 17014 1 156 . 1 1 16 16 VAL CG1 C 13 21.09 0.30 . . . . . A 16 VAL CG1 . 17014 1 157 . 1 1 16 16 VAL CG2 C 13 21.14 0.30 . . . . . A 16 VAL CG2 . 17014 1 158 . 1 1 16 16 VAL N N 15 124.15 0.30 . . . . . A 16 VAL N . 17014 1 159 . 1 1 17 17 LEU H H 1 8.85 0.02 . . . . . A 17 LEU H . 17014 1 160 . 1 1 17 17 LEU HA H 1 4.19 0.02 . . . . . A 17 LEU HA . 17014 1 161 . 1 1 17 17 LEU HB2 H 1 1.77 0.02 . . . . . A 17 LEU HB2 . 17014 1 162 . 1 1 17 17 LEU HB3 H 1 1.57 0.02 . . . . . A 17 LEU HB3 . 17014 1 163 . 1 1 17 17 LEU HG H 1 1.66 0.02 . . . . . A 17 LEU HG . 17014 1 164 . 1 1 17 17 LEU HD11 H 1 0.88 0.02 . . . . . A 17 LEU HD11 . 17014 1 165 . 1 1 17 17 LEU HD12 H 1 0.88 0.02 . . . . . A 17 LEU HD12 . 17014 1 166 . 1 1 17 17 LEU HD13 H 1 0.88 0.02 . . . . . A 17 LEU HD13 . 17014 1 167 . 1 1 17 17 LEU HD21 H 1 0.80 0.02 . . . . . A 17 LEU HD21 . 17014 1 168 . 1 1 17 17 LEU HD22 H 1 0.80 0.02 . . . . . A 17 LEU HD22 . 17014 1 169 . 1 1 17 17 LEU HD23 H 1 0.80 0.02 . . . . . A 17 LEU HD23 . 17014 1 170 . 1 1 17 17 LEU C C 13 178.51 0.30 . . . . . A 17 LEU C . 17014 1 171 . 1 1 17 17 LEU CA C 13 56.08 0.30 . . . . . A 17 LEU CA . 17014 1 172 . 1 1 17 17 LEU CB C 13 40.91 0.30 . . . . . A 17 LEU CB . 17014 1 173 . 1 1 17 17 LEU CG C 13 27.45 0.30 . . . . . A 17 LEU CG . 17014 1 174 . 1 1 17 17 LEU CD1 C 13 24.99 0.30 . . . . . A 17 LEU CD1 . 17014 1 175 . 1 1 17 17 LEU CD2 C 13 22.36 0.30 . . . . . A 17 LEU CD2 . 17014 1 176 . 1 1 17 17 LEU N N 15 116.58 0.30 . . . . . A 17 LEU N . 17014 1 177 . 1 1 18 18 LYS H H 1 7.06 0.02 . . . . . A 18 LYS H . 17014 1 178 . 1 1 18 18 LYS HA H 1 4.41 0.02 . . . . . A 18 LYS HA . 17014 1 179 . 1 1 18 18 LYS HB2 H 1 2.08 0.02 . . . . . A 18 LYS HB2 . 17014 1 180 . 1 1 18 18 LYS HB3 H 1 1.70 0.02 . . . . . A 18 LYS HB3 . 17014 1 181 . 1 1 18 18 LYS HG2 H 1 1.39 0.02 . . . . . A 18 LYS HG2 . 17014 1 182 . 1 1 18 18 LYS HG3 H 1 1.35 0.02 . . . . . A 18 LYS HG3 . 17014 1 183 . 1 1 18 18 LYS HD2 H 1 1.50 0.02 . . . . . A 18 LYS HD2 . 17014 1 184 . 1 1 18 18 LYS HD3 H 1 1.41 0.02 . . . . . A 18 LYS HD3 . 17014 1 185 . 1 1 18 18 LYS HE2 H 1 2.80 0.02 . . . . . A 18 LYS HE2 . 17014 1 186 . 1 1 18 18 LYS HE3 H 1 2.80 0.02 . . . . . A 18 LYS HE3 . 17014 1 187 . 1 1 18 18 LYS C C 13 176.60 0.30 . . . . . A 18 LYS C . 17014 1 188 . 1 1 18 18 LYS CA C 13 55.25 0.30 . . . . . A 18 LYS CA . 17014 1 189 . 1 1 18 18 LYS CB C 13 32.92 0.30 . . . . . A 18 LYS CB . 17014 1 190 . 1 1 18 18 LYS CG C 13 24.48 0.30 . . . . . A 18 LYS CG . 17014 1 191 . 1 1 18 18 LYS CD C 13 28.80 0.30 . . . . . A 18 LYS CD . 17014 1 192 . 1 1 18 18 LYS CE C 13 41.95 0.30 . . . . . A 18 LYS CE . 17014 1 193 . 1 1 18 18 LYS N N 15 114.62 0.30 . . . . . A 18 LYS N . 17014 1 194 . 1 1 19 19 LEU H H 1 7.95 0.02 . . . . . A 19 LEU H . 17014 1 195 . 1 1 19 19 LEU HA H 1 4.07 0.02 . . . . . A 19 LEU HA . 17014 1 196 . 1 1 19 19 LEU HB2 H 1 2.11 0.02 . . . . . A 19 LEU HB2 . 17014 1 197 . 1 1 19 19 LEU HB3 H 1 2.07 0.02 . . . . . A 19 LEU HB3 . 17014 1 198 . 1 1 19 19 LEU HG H 1 1.64 0.02 . . . . . A 19 LEU HG . 17014 1 199 . 1 1 19 19 LEU HD11 H 1 0.89 0.02 . . . . . A 19 LEU HD11 . 17014 1 200 . 1 1 19 19 LEU HD12 H 1 0.89 0.02 . . . . . A 19 LEU HD12 . 17014 1 201 . 1 1 19 19 LEU HD13 H 1 0.89 0.02 . . . . . A 19 LEU HD13 . 17014 1 202 . 1 1 19 19 LEU HD21 H 1 0.89 0.02 . . . . . A 19 LEU HD21 . 17014 1 203 . 1 1 19 19 LEU HD22 H 1 0.89 0.02 . . . . . A 19 LEU HD22 . 17014 1 204 . 1 1 19 19 LEU HD23 H 1 0.89 0.02 . . . . . A 19 LEU HD23 . 17014 1 205 . 1 1 19 19 LEU C C 13 175.01 0.30 . . . . . A 19 LEU C . 17014 1 206 . 1 1 19 19 LEU CA C 13 57.51 0.30 . . . . . A 19 LEU CA . 17014 1 207 . 1 1 19 19 LEU CB C 13 38.28 0.30 . . . . . A 19 LEU CB . 17014 1 208 . 1 1 19 19 LEU CG C 13 28.10 0.30 . . . . . A 19 LEU CG . 17014 1 209 . 1 1 19 19 LEU CD1 C 13 25.51 0.30 . . . . . A 19 LEU CD1 . 17014 1 210 . 1 1 19 19 LEU CD2 C 13 25.25 0.30 . . . . . A 19 LEU CD2 . 17014 1 211 . 1 1 19 19 LEU N N 15 119.01 0.30 . . . . . A 19 LEU N . 17014 1 212 . 1 1 20 20 THR H H 1 7.47 0.02 . . . . . A 20 THR H . 17014 1 213 . 1 1 20 20 THR HA H 1 5.42 0.02 . . . . . A 20 THR HA . 17014 1 214 . 1 1 20 20 THR HB H 1 3.82 0.02 . . . . . A 20 THR HB . 17014 1 215 . 1 1 20 20 THR HG21 H 1 0.99 0.02 . . . . . A 20 THR HG21 . 17014 1 216 . 1 1 20 20 THR HG22 H 1 0.99 0.02 . . . . . A 20 THR HG22 . 17014 1 217 . 1 1 20 20 THR HG23 H 1 0.99 0.02 . . . . . A 20 THR HG23 . 17014 1 218 . 1 1 20 20 THR C C 13 173.07 0.30 . . . . . A 20 THR C . 17014 1 219 . 1 1 20 20 THR CA C 13 61.32 0.30 . . . . . A 20 THR CA . 17014 1 220 . 1 1 20 20 THR CB C 13 73.81 0.30 . . . . . A 20 THR CB . 17014 1 221 . 1 1 20 20 THR CG2 C 13 21.01 0.30 . . . . . A 20 THR CG2 . 17014 1 222 . 1 1 20 20 THR N N 15 109.12 0.30 . . . . . A 20 THR N . 17014 1 223 . 1 1 21 21 VAL H H 1 9.30 0.02 . . . . . A 21 VAL H . 17014 1 224 . 1 1 21 21 VAL HA H 1 4.99 0.02 . . . . . A 21 VAL HA . 17014 1 225 . 1 1 21 21 VAL HB H 1 1.88 0.02 . . . . . A 21 VAL HB . 17014 1 226 . 1 1 21 21 VAL HG11 H 1 0.69 0.02 . . . . . A 21 VAL HG11 . 17014 1 227 . 1 1 21 21 VAL HG12 H 1 0.69 0.02 . . . . . A 21 VAL HG12 . 17014 1 228 . 1 1 21 21 VAL HG13 H 1 0.69 0.02 . . . . . A 21 VAL HG13 . 17014 1 229 . 1 1 21 21 VAL HG21 H 1 0.69 0.02 . . . . . A 21 VAL HG21 . 17014 1 230 . 1 1 21 21 VAL HG22 H 1 0.69 0.02 . . . . . A 21 VAL HG22 . 17014 1 231 . 1 1 21 21 VAL HG23 H 1 0.69 0.02 . . . . . A 21 VAL HG23 . 17014 1 232 . 1 1 21 21 VAL C C 13 174.72 0.30 . . . . . A 21 VAL C . 17014 1 233 . 1 1 21 21 VAL CA C 13 60.51 0.30 . . . . . A 21 VAL CA . 17014 1 234 . 1 1 21 21 VAL CB C 13 33.81 0.30 . . . . . A 21 VAL CB . 17014 1 235 . 1 1 21 21 VAL CG1 C 13 22.07 0.30 . . . . . A 21 VAL CG1 . 17014 1 236 . 1 1 21 21 VAL CG2 C 13 22.23 0.30 . . . . . A 21 VAL CG2 . 17014 1 237 . 1 1 21 21 VAL N N 15 124.95 0.30 . . . . . A 21 VAL N . 17014 1 238 . 1 1 22 22 GLU H H 1 9.59 0.02 . . . . . A 22 GLU H . 17014 1 239 . 1 1 22 22 GLU HA H 1 4.80 0.02 . . . . . A 22 GLU HA . 17014 1 240 . 1 1 22 22 GLU HB2 H 1 2.13 0.02 . . . . . A 22 GLU HB2 . 17014 1 241 . 1 1 22 22 GLU HB3 H 1 2.05 0.02 . . . . . A 22 GLU HB3 . 17014 1 242 . 1 1 22 22 GLU HG2 H 1 2.39 0.02 . . . . . A 22 GLU HG2 . 17014 1 243 . 1 1 22 22 GLU HG3 H 1 2.28 0.02 . . . . . A 22 GLU HG3 . 17014 1 244 . 1 1 22 22 GLU C C 13 175.81 0.30 . . . . . A 22 GLU C . 17014 1 245 . 1 1 22 22 GLU CA C 13 55.83 0.30 . . . . . A 22 GLU CA . 17014 1 246 . 1 1 22 22 GLU CB C 13 30.32 0.30 . . . . . A 22 GLU CB . 17014 1 247 . 1 1 22 22 GLU CG C 13 35.43 0.30 . . . . . A 22 GLU CG . 17014 1 248 . 1 1 22 22 GLU N N 15 128.32 0.30 . . . . . A 22 GLU N . 17014 1 249 . 1 1 23 23 THR H H 1 8.05 0.02 . . . . . A 23 THR H . 17014 1 250 . 1 1 23 23 THR HA H 1 5.40 0.02 . . . . . A 23 THR HA . 17014 1 251 . 1 1 23 23 THR HB H 1 4.54 0.02 . . . . . A 23 THR HB . 17014 1 252 . 1 1 23 23 THR HG21 H 1 1.04 0.02 . . . . . A 23 THR HG21 . 17014 1 253 . 1 1 23 23 THR HG22 H 1 1.04 0.02 . . . . . A 23 THR HG22 . 17014 1 254 . 1 1 23 23 THR HG23 H 1 1.04 0.02 . . . . . A 23 THR HG23 . 17014 1 255 . 1 1 23 23 THR C C 13 174.93 0.30 . . . . . A 23 THR C . 17014 1 256 . 1 1 23 23 THR CA C 13 59.24 0.30 . . . . . A 23 THR CA . 17014 1 257 . 1 1 23 23 THR CB C 13 70.12 0.30 . . . . . A 23 THR CB . 17014 1 258 . 1 1 23 23 THR CG2 C 13 20.86 0.30 . . . . . A 23 THR CG2 . 17014 1 259 . 1 1 23 23 THR N N 15 118.41 0.30 . . . . . A 23 THR N . 17014 1 260 . 1 1 24 24 PRO HA H 1 4.38 0.02 . . . . . A 24 PRO HA . 17014 1 261 . 1 1 24 24 PRO HB2 H 1 2.44 0.02 . . . . . A 24 PRO HB2 . 17014 1 262 . 1 1 24 24 PRO HB3 H 1 2.44 0.02 . . . . . A 24 PRO HB3 . 17014 1 263 . 1 1 24 24 PRO HG2 H 1 2.12 0.02 . . . . . A 24 PRO HG2 . 17014 1 264 . 1 1 24 24 PRO HG3 H 1 1.93 0.02 . . . . . A 24 PRO HG3 . 17014 1 265 . 1 1 24 24 PRO HD2 H 1 3.79 0.02 . . . . . A 24 PRO HD2 . 17014 1 266 . 1 1 24 24 PRO HD3 H 1 3.74 0.02 . . . . . A 24 PRO HD3 . 17014 1 267 . 1 1 24 24 PRO C C 13 177.12 0.30 . . . . . A 24 PRO C . 17014 1 268 . 1 1 24 24 PRO CA C 13 65.00 0.30 . . . . . A 24 PRO CA . 17014 1 269 . 1 1 24 24 PRO CB C 13 31.78 0.30 . . . . . A 24 PRO CB . 17014 1 270 . 1 1 24 24 PRO CG C 13 28.33 0.30 . . . . . A 24 PRO CG . 17014 1 271 . 1 1 24 24 PRO CD C 13 50.62 0.30 . . . . . A 24 PRO CD . 17014 1 272 . 1 1 25 25 GLU H H 1 7.71 0.02 . . . . . A 25 GLU H . 17014 1 273 . 1 1 25 25 GLU HA H 1 4.39 0.02 . . . . . A 25 GLU HA . 17014 1 274 . 1 1 25 25 GLU HB2 H 1 2.20 0.02 . . . . . A 25 GLU HB2 . 17014 1 275 . 1 1 25 25 GLU HB3 H 1 1.86 0.02 . . . . . A 25 GLU HB3 . 17014 1 276 . 1 1 25 25 GLU HG2 H 1 2.32 0.02 . . . . . A 25 GLU HG2 . 17014 1 277 . 1 1 25 25 GLU HG3 H 1 2.18 0.02 . . . . . A 25 GLU HG3 . 17014 1 278 . 1 1 25 25 GLU C C 13 175.81 0.30 . . . . . A 25 GLU C . 17014 1 279 . 1 1 25 25 GLU CA C 13 56.44 0.30 . . . . . A 25 GLU CA . 17014 1 280 . 1 1 25 25 GLU CB C 13 29.92 0.30 . . . . . A 25 GLU CB . 17014 1 281 . 1 1 25 25 GLU CG C 13 37.00 0.30 . . . . . A 25 GLU CG . 17014 1 282 . 1 1 25 25 GLU N N 15 113.42 0.30 . . . . . A 25 GLU N . 17014 1 283 . 1 1 26 26 GLY H H 1 7.67 0.02 . . . . . A 26 GLY H . 17014 1 284 . 1 1 26 26 GLY HA2 H 1 4.60 0.02 . . . . . A 26 GLY HA2 . 17014 1 285 . 1 1 26 26 GLY HA3 H 1 3.89 0.02 . . . . . A 26 GLY HA3 . 17014 1 286 . 1 1 26 26 GLY C C 13 174.00 0.30 . . . . . A 26 GLY C . 17014 1 287 . 1 1 26 26 GLY CA C 13 44.41 0.30 . . . . . A 26 GLY CA . 17014 1 288 . 1 1 26 26 GLY N N 15 108.33 0.30 . . . . . A 26 GLY N . 17014 1 289 . 1 1 27 27 SER H H 1 8.69 0.02 . . . . . A 27 SER H . 17014 1 290 . 1 1 27 27 SER HA H 1 4.96 0.02 . . . . . A 27 SER HA . 17014 1 291 . 1 1 27 27 SER HB2 H 1 3.64 0.02 . . . . . A 27 SER HB2 . 17014 1 292 . 1 1 27 27 SER HB3 H 1 3.52 0.02 . . . . . A 27 SER HB3 . 17014 1 293 . 1 1 27 27 SER C C 13 174.03 0.30 . . . . . A 27 SER C . 17014 1 294 . 1 1 27 27 SER CA C 13 58.84 0.30 . . . . . A 27 SER CA . 17014 1 295 . 1 1 27 27 SER CB C 13 64.04 0.30 . . . . . A 27 SER CB . 17014 1 296 . 1 1 27 27 SER N N 15 117.66 0.30 . . . . . A 27 SER N . 17014 1 297 . 1 1 28 28 VAL H H 1 9.28 0.02 . . . . . A 28 VAL H . 17014 1 298 . 1 1 28 28 VAL HA H 1 4.21 0.02 . . . . . A 28 VAL HA . 17014 1 299 . 1 1 28 28 VAL HB H 1 2.04 0.02 . . . . . A 28 VAL HB . 17014 1 300 . 1 1 28 28 VAL HG11 H 1 0.99 0.02 . . . . . A 28 VAL HG11 . 17014 1 301 . 1 1 28 28 VAL HG12 H 1 0.99 0.02 . . . . . A 28 VAL HG12 . 17014 1 302 . 1 1 28 28 VAL HG13 H 1 0.99 0.02 . . . . . A 28 VAL HG13 . 17014 1 303 . 1 1 28 28 VAL HG21 H 1 0.93 0.02 . . . . . A 28 VAL HG21 . 17014 1 304 . 1 1 28 28 VAL HG22 H 1 0.93 0.02 . . . . . A 28 VAL HG22 . 17014 1 305 . 1 1 28 28 VAL HG23 H 1 0.93 0.02 . . . . . A 28 VAL HG23 . 17014 1 306 . 1 1 28 28 VAL C C 13 174.46 0.30 . . . . . A 28 VAL C . 17014 1 307 . 1 1 28 28 VAL CA C 13 61.57 0.30 . . . . . A 28 VAL CA . 17014 1 308 . 1 1 28 28 VAL CB C 13 34.07 0.30 . . . . . A 28 VAL CB . 17014 1 309 . 1 1 28 28 VAL CG1 C 13 21.01 0.30 . . . . . A 28 VAL CG1 . 17014 1 310 . 1 1 28 28 VAL CG2 C 13 20.98 0.30 . . . . . A 28 VAL CG2 . 17014 1 311 . 1 1 28 28 VAL N N 15 125.89 0.30 . . . . . A 28 VAL N . 17014 1 312 . 1 1 29 29 HIS H H 1 8.79 0.02 . . . . . A 29 HIS H . 17014 1 313 . 1 1 29 29 HIS HA H 1 4.96 0.02 . . . . . A 29 HIS HA . 17014 1 314 . 1 1 29 29 HIS HB2 H 1 3.28 0.02 . . . . . A 29 HIS HB2 . 17014 1 315 . 1 1 29 29 HIS HB3 H 1 3.11 0.02 . . . . . A 29 HIS HB3 . 17014 1 316 . 1 1 29 29 HIS C C 13 174.61 0.30 . . . . . A 29 HIS C . 17014 1 317 . 1 1 29 29 HIS CA C 13 56.34 0.30 . . . . . A 29 HIS CA . 17014 1 318 . 1 1 29 29 HIS CB C 13 30.29 0.30 . . . . . A 29 HIS CB . 17014 1 319 . 1 1 29 29 HIS N N 15 126.81 0.30 . . . . . A 29 HIS N . 17014 1 320 . 1 1 30 30 LEU H H 1 8.71 0.02 . . . . . A 30 LEU H . 17014 1 321 . 1 1 30 30 LEU HA H 1 4.68 0.02 . . . . . A 30 LEU HA . 17014 1 322 . 1 1 30 30 LEU HB2 H 1 1.58 0.02 . . . . . A 30 LEU HB2 . 17014 1 323 . 1 1 30 30 LEU HB3 H 1 1.58 0.02 . . . . . A 30 LEU HB3 . 17014 1 324 . 1 1 30 30 LEU HG H 1 1.51 0.02 . . . . . A 30 LEU HG . 17014 1 325 . 1 1 30 30 LEU HD11 H 1 0.55 0.02 . . . . . A 30 LEU HD11 . 17014 1 326 . 1 1 30 30 LEU HD12 H 1 0.55 0.02 . . . . . A 30 LEU HD12 . 17014 1 327 . 1 1 30 30 LEU HD13 H 1 0.55 0.02 . . . . . A 30 LEU HD13 . 17014 1 328 . 1 1 30 30 LEU HD21 H 1 0.45 0.02 . . . . . A 30 LEU HD21 . 17014 1 329 . 1 1 30 30 LEU HD22 H 1 0.45 0.02 . . . . . A 30 LEU HD22 . 17014 1 330 . 1 1 30 30 LEU HD23 H 1 0.45 0.02 . . . . . A 30 LEU HD23 . 17014 1 331 . 1 1 30 30 LEU C C 13 176.58 0.30 . . . . . A 30 LEU C . 17014 1 332 . 1 1 30 30 LEU CA C 13 53.12 0.30 . . . . . A 30 LEU CA . 17014 1 333 . 1 1 30 30 LEU CB C 13 44.18 0.30 . . . . . A 30 LEU CB . 17014 1 334 . 1 1 30 30 LEU CG C 13 27.09 0.30 . . . . . A 30 LEU CG . 17014 1 335 . 1 1 30 30 LEU CD1 C 13 23.04 0.30 . . . . . A 30 LEU CD1 . 17014 1 336 . 1 1 30 30 LEU CD2 C 13 27.05 0.30 . . . . . A 30 LEU CD2 . 17014 1 337 . 1 1 30 30 LEU N N 15 124.06 0.30 . . . . . A 30 LEU N . 17014 1 338 . 1 1 31 31 THR H H 1 8.81 0.02 . . . . . A 31 THR H . 17014 1 339 . 1 1 31 31 THR HA H 1 4.68 0.02 . . . . . A 31 THR HA . 17014 1 340 . 1 1 31 31 THR HB H 1 3.93 0.02 . . . . . A 31 THR HB . 17014 1 341 . 1 1 31 31 THR HG21 H 1 1.32 0.02 . . . . . A 31 THR HG21 . 17014 1 342 . 1 1 31 31 THR HG22 H 1 1.32 0.02 . . . . . A 31 THR HG22 . 17014 1 343 . 1 1 31 31 THR HG23 H 1 1.32 0.02 . . . . . A 31 THR HG23 . 17014 1 344 . 1 1 31 31 THR C C 13 174.45 0.30 . . . . . A 31 THR C . 17014 1 345 . 1 1 31 31 THR CA C 13 60.30 0.30 . . . . . A 31 THR CA . 17014 1 346 . 1 1 31 31 THR CB C 13 67.96 0.30 . . . . . A 31 THR CB . 17014 1 347 . 1 1 31 31 THR CG2 C 13 21.99 0.30 . . . . . A 31 THR CG2 . 17014 1 348 . 1 1 31 31 THR N N 15 111.54 0.30 . . . . . A 31 THR N . 17014 1 349 . 1 1 32 32 PRO HA H 1 4.17 0.02 . . . . . A 32 PRO HA . 17014 1 350 . 1 1 32 32 PRO HB2 H 1 2.24 0.02 . . . . . A 32 PRO HB2 . 17014 1 351 . 1 1 32 32 PRO HB3 H 1 1.63 0.02 . . . . . A 32 PRO HB3 . 17014 1 352 . 1 1 32 32 PRO HG2 H 1 2.21 0.02 . . . . . A 32 PRO HG2 . 17014 1 353 . 1 1 32 32 PRO HG3 H 1 1.98 0.02 . . . . . A 32 PRO HG3 . 17014 1 354 . 1 1 32 32 PRO HD2 H 1 3.92 0.02 . . . . . A 32 PRO HD2 . 17014 1 355 . 1 1 32 32 PRO HD3 H 1 3.89 0.02 . . . . . A 32 PRO HD3 . 17014 1 356 . 1 1 32 32 PRO C C 13 179.76 0.30 . . . . . A 32 PRO C . 17014 1 357 . 1 1 32 32 PRO CA C 13 66.57 0.30 . . . . . A 32 PRO CA . 17014 1 358 . 1 1 32 32 PRO CB C 13 31.61 0.30 . . . . . A 32 PRO CB . 17014 1 359 . 1 1 32 32 PRO CG C 13 28.33 0.30 . . . . . A 32 PRO CG . 17014 1 360 . 1 1 32 32 PRO CD C 13 50.15 0.30 . . . . . A 32 PRO CD . 17014 1 361 . 1 1 33 33 SER H H 1 8.17 0.02 . . . . . A 33 SER H . 17014 1 362 . 1 1 33 33 SER HA H 1 4.15 0.02 . . . . . A 33 SER HA . 17014 1 363 . 1 1 33 33 SER HB2 H 1 3.33 0.02 . . . . . A 33 SER HB2 . 17014 1 364 . 1 1 33 33 SER HB3 H 1 2.91 0.02 . . . . . A 33 SER HB3 . 17014 1 365 . 1 1 33 33 SER C C 13 175.29 0.30 . . . . . A 33 SER C . 17014 1 366 . 1 1 33 33 SER CA C 13 62.86 0.30 . . . . . A 33 SER CA . 17014 1 367 . 1 1 33 33 SER CB C 13 62.86 0.30 . . . . . A 33 SER CB . 17014 1 368 . 1 1 33 33 SER N N 15 113.76 0.30 . . . . . A 33 SER N . 17014 1 369 . 1 1 34 34 GLU H H 1 7.46 0.02 . . . . . A 34 GLU H . 17014 1 370 . 1 1 34 34 GLU HA H 1 3.51 0.02 . . . . . A 34 GLU HA . 17014 1 371 . 1 1 34 34 GLU HB2 H 1 2.43 0.02 . . . . . A 34 GLU HB2 . 17014 1 372 . 1 1 34 34 GLU HB3 H 1 1.73 0.02 . . . . . A 34 GLU HB3 . 17014 1 373 . 1 1 34 34 GLU HG2 H 1 2.45 0.02 . . . . . A 34 GLU HG2 . 17014 1 374 . 1 1 34 34 GLU HG3 H 1 2.34 0.02 . . . . . A 34 GLU HG3 . 17014 1 375 . 1 1 34 34 GLU C C 13 177.91 0.30 . . . . . A 34 GLU C . 17014 1 376 . 1 1 34 34 GLU CA C 13 59.55 0.30 . . . . . A 34 GLU CA . 17014 1 377 . 1 1 34 34 GLU CB C 13 31.03 0.30 . . . . . A 34 GLU CB . 17014 1 378 . 1 1 34 34 GLU CG C 13 36.43 0.30 . . . . . A 34 GLU CG . 17014 1 379 . 1 1 34 34 GLU N N 15 120.41 0.30 . . . . . A 34 GLU N . 17014 1 380 . 1 1 35 35 SER H H 1 8.67 0.02 . . . . . A 35 SER H . 17014 1 381 . 1 1 35 35 SER HA H 1 3.95 0.02 . . . . . A 35 SER HA . 17014 1 382 . 1 1 35 35 SER HB2 H 1 3.99 0.02 . . . . . A 35 SER HB2 . 17014 1 383 . 1 1 35 35 SER HB3 H 1 3.79 0.02 . . . . . A 35 SER HB3 . 17014 1 384 . 1 1 35 35 SER C C 13 176.81 0.30 . . . . . A 35 SER C . 17014 1 385 . 1 1 35 35 SER CA C 13 61.58 0.30 . . . . . A 35 SER CA . 17014 1 386 . 1 1 35 35 SER CB C 13 64.00 0.30 . . . . . A 35 SER CB . 17014 1 387 . 1 1 35 35 SER N N 15 111.90 0.30 . . . . . A 35 SER N . 17014 1 388 . 1 1 36 36 GLY H H 1 8.14 0.02 . . . . . A 36 GLY H . 17014 1 389 . 1 1 36 36 GLY HA2 H 1 3.87 0.02 . . . . . A 36 GLY HA2 . 17014 1 390 . 1 1 36 36 GLY HA3 H 1 3.74 0.02 . . . . . A 36 GLY HA3 . 17014 1 391 . 1 1 36 36 GLY C C 13 176.07 0.30 . . . . . A 36 GLY C . 17014 1 392 . 1 1 36 36 GLY CA C 13 47.52 0.30 . . . . . A 36 GLY CA . 17014 1 393 . 1 1 36 36 GLY N N 15 106.53 0.30 . . . . . A 36 GLY N . 17014 1 394 . 1 1 37 37 ILE H H 1 7.60 0.02 . . . . . A 37 ILE H . 17014 1 395 . 1 1 37 37 ILE HA H 1 3.46 0.02 . . . . . A 37 ILE HA . 17014 1 396 . 1 1 37 37 ILE HB H 1 1.69 0.02 . . . . . A 37 ILE HB . 17014 1 397 . 1 1 37 37 ILE HG12 H 1 1.79 0.02 . . . . . A 37 ILE HG12 . 17014 1 398 . 1 1 37 37 ILE HG13 H 1 0.83 0.02 . . . . . A 37 ILE HG13 . 17014 1 399 . 1 1 37 37 ILE HG21 H 1 0.60 0.02 . . . . . A 37 ILE HG21 . 17014 1 400 . 1 1 37 37 ILE HG22 H 1 0.60 0.02 . . . . . A 37 ILE HG22 . 17014 1 401 . 1 1 37 37 ILE HG23 H 1 0.60 0.02 . . . . . A 37 ILE HG23 . 17014 1 402 . 1 1 37 37 ILE HD11 H 1 0.63 0.02 . . . . . A 37 ILE HD11 . 17014 1 403 . 1 1 37 37 ILE HD12 H 1 0.63 0.02 . . . . . A 37 ILE HD12 . 17014 1 404 . 1 1 37 37 ILE HD13 H 1 0.63 0.02 . . . . . A 37 ILE HD13 . 17014 1 405 . 1 1 37 37 ILE C C 13 176.53 0.30 . . . . . A 37 ILE C . 17014 1 406 . 1 1 37 37 ILE CA C 13 65.96 0.30 . . . . . A 37 ILE CA . 17014 1 407 . 1 1 37 37 ILE CB C 13 37.70 0.30 . . . . . A 37 ILE CB . 17014 1 408 . 1 1 37 37 ILE CG1 C 13 29.98 0.30 . . . . . A 37 ILE CG1 . 17014 1 409 . 1 1 37 37 ILE CG2 C 13 17.45 0.30 . . . . . A 37 ILE CG2 . 17014 1 410 . 1 1 37 37 ILE CD1 C 13 14.50 0.30 . . . . . A 37 ILE CD1 . 17014 1 411 . 1 1 37 37 ILE N N 15 120.29 0.30 . . . . . A 37 ILE N . 17014 1 412 . 1 1 38 38 LEU H H 1 8.39 0.02 . . . . . A 38 LEU H . 17014 1 413 . 1 1 38 38 LEU HA H 1 3.68 0.02 . . . . . A 38 LEU HA . 17014 1 414 . 1 1 38 38 LEU HB2 H 1 1.45 0.02 . . . . . A 38 LEU HB2 . 17014 1 415 . 1 1 38 38 LEU HB3 H 1 1.13 0.02 . . . . . A 38 LEU HB3 . 17014 1 416 . 1 1 38 38 LEU HG H 1 0.88 0.02 . . . . . A 38 LEU HG . 17014 1 417 . 1 1 38 38 LEU HD11 H 1 0.40 0.02 . . . . . A 38 LEU HD11 . 17014 1 418 . 1 1 38 38 LEU HD12 H 1 0.40 0.02 . . . . . A 38 LEU HD12 . 17014 1 419 . 1 1 38 38 LEU HD13 H 1 0.40 0.02 . . . . . A 38 LEU HD13 . 17014 1 420 . 1 1 38 38 LEU HD21 H 1 -0.33 0.02 . . . . . A 38 LEU HD21 . 17014 1 421 . 1 1 38 38 LEU HD22 H 1 -0.33 0.02 . . . . . A 38 LEU HD22 . 17014 1 422 . 1 1 38 38 LEU HD23 H 1 -0.33 0.02 . . . . . A 38 LEU HD23 . 17014 1 423 . 1 1 38 38 LEU C C 13 177.53 0.30 . . . . . A 38 LEU C . 17014 1 424 . 1 1 38 38 LEU CA C 13 57.97 0.30 . . . . . A 38 LEU CA . 17014 1 425 . 1 1 38 38 LEU CB C 13 39.62 0.30 . . . . . A 38 LEU CB . 17014 1 426 . 1 1 38 38 LEU CG C 13 26.45 0.30 . . . . . A 38 LEU CG . 17014 1 427 . 1 1 38 38 LEU CD1 C 13 22.04 0.30 . . . . . A 38 LEU CD1 . 17014 1 428 . 1 1 38 38 LEU CD2 C 13 25.11 0.30 . . . . . A 38 LEU CD2 . 17014 1 429 . 1 1 38 38 LEU N N 15 120.25 0.30 . . . . . A 38 LEU N . 17014 1 430 . 1 1 39 39 LYS H H 1 8.61 0.02 . . . . . A 39 LYS H . 17014 1 431 . 1 1 39 39 LYS HA H 1 3.69 0.02 . . . . . A 39 LYS HA . 17014 1 432 . 1 1 39 39 LYS HB2 H 1 2.13 0.02 . . . . . A 39 LYS HB2 . 17014 1 433 . 1 1 39 39 LYS HB3 H 1 2.00 0.02 . . . . . A 39 LYS HB3 . 17014 1 434 . 1 1 39 39 LYS HG2 H 1 1.18 0.02 . . . . . A 39 LYS HG2 . 17014 1 435 . 1 1 39 39 LYS HG3 H 1 1.18 0.02 . . . . . A 39 LYS HG3 . 17014 1 436 . 1 1 39 39 LYS HD2 H 1 1.86 0.02 . . . . . A 39 LYS HD2 . 17014 1 437 . 1 1 39 39 LYS HD3 H 1 1.69 0.02 . . . . . A 39 LYS HD3 . 17014 1 438 . 1 1 39 39 LYS HE2 H 1 3.01 0.02 . . . . . A 39 LYS HE2 . 17014 1 439 . 1 1 39 39 LYS HE3 H 1 3.01 0.02 . . . . . A 39 LYS HE3 . 17014 1 440 . 1 1 39 39 LYS C C 13 176.89 0.30 . . . . . A 39 LYS C . 17014 1 441 . 1 1 39 39 LYS CA C 13 60.67 0.30 . . . . . A 39 LYS CA . 17014 1 442 . 1 1 39 39 LYS CB C 13 31.39 0.30 . . . . . A 39 LYS CB . 17014 1 443 . 1 1 39 39 LYS CG C 13 24.37 0.30 . . . . . A 39 LYS CG . 17014 1 444 . 1 1 39 39 LYS CD C 13 29.06 0.30 . . . . . A 39 LYS CD . 17014 1 445 . 1 1 39 39 LYS CE C 13 41.25 0.30 . . . . . A 39 LYS CE . 17014 1 446 . 1 1 39 39 LYS N N 15 117.05 0.30 . . . . . A 39 LYS N . 17014 1 447 . 1 1 40 40 ARG H H 1 7.58 0.02 . . . . . A 40 ARG H . 17014 1 448 . 1 1 40 40 ARG HA H 1 3.83 0.02 . . . . . A 40 ARG HA . 17014 1 449 . 1 1 40 40 ARG HB2 H 1 1.94 0.02 . . . . . A 40 ARG HB2 . 17014 1 450 . 1 1 40 40 ARG HB3 H 1 1.85 0.02 . . . . . A 40 ARG HB3 . 17014 1 451 . 1 1 40 40 ARG HG2 H 1 1.65 0.02 . . . . . A 40 ARG HG2 . 17014 1 452 . 1 1 40 40 ARG HG3 H 1 1.58 0.02 . . . . . A 40 ARG HG3 . 17014 1 453 . 1 1 40 40 ARG HD2 H 1 3.19 0.02 . . . . . A 40 ARG HD2 . 17014 1 454 . 1 1 40 40 ARG HD3 H 1 3.07 0.02 . . . . . A 40 ARG HD3 . 17014 1 455 . 1 1 40 40 ARG C C 13 178.54 0.30 . . . . . A 40 ARG C . 17014 1 456 . 1 1 40 40 ARG CA C 13 58.49 0.30 . . . . . A 40 ARG CA . 17014 1 457 . 1 1 40 40 ARG CB C 13 29.43 0.30 . . . . . A 40 ARG CB . 17014 1 458 . 1 1 40 40 ARG CG C 13 27.34 0.30 . . . . . A 40 ARG CG . 17014 1 459 . 1 1 40 40 ARG CD C 13 42.19 0.30 . . . . . A 40 ARG CD . 17014 1 460 . 1 1 40 40 ARG N N 15 117.29 0.30 . . . . . A 40 ARG N . 17014 1 461 . 1 1 41 41 LEU H H 1 8.27 0.02 . . . . . A 41 LEU H . 17014 1 462 . 1 1 41 41 LEU HA H 1 3.97 0.02 . . . . . A 41 LEU HA . 17014 1 463 . 1 1 41 41 LEU HB2 H 1 1.91 0.02 . . . . . A 41 LEU HB2 . 17014 1 464 . 1 1 41 41 LEU HB3 H 1 1.38 0.02 . . . . . A 41 LEU HB3 . 17014 1 465 . 1 1 41 41 LEU HG H 1 1.89 0.02 . . . . . A 41 LEU HG . 17014 1 466 . 1 1 41 41 LEU HD11 H 1 0.89 0.02 . . . . . A 41 LEU HD11 . 17014 1 467 . 1 1 41 41 LEU HD12 H 1 0.89 0.02 . . . . . A 41 LEU HD12 . 17014 1 468 . 1 1 41 41 LEU HD13 H 1 0.89 0.02 . . . . . A 41 LEU HD13 . 17014 1 469 . 1 1 41 41 LEU HD21 H 1 0.62 0.02 . . . . . A 41 LEU HD21 . 17014 1 470 . 1 1 41 41 LEU HD22 H 1 0.62 0.02 . . . . . A 41 LEU HD22 . 17014 1 471 . 1 1 41 41 LEU HD23 H 1 0.62 0.02 . . . . . A 41 LEU HD23 . 17014 1 472 . 1 1 41 41 LEU C C 13 180.71 0.30 . . . . . A 41 LEU C . 17014 1 473 . 1 1 41 41 LEU CA C 13 57.78 0.30 . . . . . A 41 LEU CA . 17014 1 474 . 1 1 41 41 LEU CB C 13 42.68 0.30 . . . . . A 41 LEU CB . 17014 1 475 . 1 1 41 41 LEU CG C 13 26.74 0.30 . . . . . A 41 LEU CG . 17014 1 476 . 1 1 41 41 LEU CD1 C 13 23.27 0.30 . . . . . A 41 LEU CD1 . 17014 1 477 . 1 1 41 41 LEU CD2 C 13 27.13 0.30 . . . . . A 41 LEU CD2 . 17014 1 478 . 1 1 41 41 LEU N N 15 117.30 0.30 . . . . . A 41 LEU N . 17014 1 479 . 1 1 42 42 LEU H H 1 8.14 0.02 . . . . . A 42 LEU H . 17014 1 480 . 1 1 42 42 LEU HA H 1 3.71 0.02 . . . . . A 42 LEU HA . 17014 1 481 . 1 1 42 42 LEU HB2 H 1 1.69 0.02 . . . . . A 42 LEU HB2 . 17014 1 482 . 1 1 42 42 LEU HB3 H 1 1.09 0.02 . . . . . A 42 LEU HB3 . 17014 1 483 . 1 1 42 42 LEU HG H 1 0.91 0.02 . . . . . A 42 LEU HG . 17014 1 484 . 1 1 42 42 LEU HD11 H 1 0.10 0.02 . . . . . A 42 LEU HD11 . 17014 1 485 . 1 1 42 42 LEU HD12 H 1 0.10 0.02 . . . . . A 42 LEU HD12 . 17014 1 486 . 1 1 42 42 LEU HD13 H 1 0.10 0.02 . . . . . A 42 LEU HD13 . 17014 1 487 . 1 1 42 42 LEU HD21 H 1 -0.60 0.02 . . . . . A 42 LEU HD21 . 17014 1 488 . 1 1 42 42 LEU HD22 H 1 -0.60 0.02 . . . . . A 42 LEU HD22 . 17014 1 489 . 1 1 42 42 LEU HD23 H 1 -0.60 0.02 . . . . . A 42 LEU HD23 . 17014 1 490 . 1 1 42 42 LEU C C 13 181.23 0.30 . . . . . A 42 LEU C . 17014 1 491 . 1 1 42 42 LEU CA C 13 56.93 0.30 . . . . . A 42 LEU CA . 17014 1 492 . 1 1 42 42 LEU CB C 13 42.53 0.30 . . . . . A 42 LEU CB . 17014 1 493 . 1 1 42 42 LEU CG C 13 26.51 0.30 . . . . . A 42 LEU CG . 17014 1 494 . 1 1 42 42 LEU CD1 C 13 26.32 0.30 . . . . . A 42 LEU CD1 . 17014 1 495 . 1 1 42 42 LEU CD2 C 13 20.48 0.30 . . . . . A 42 LEU CD2 . 17014 1 496 . 1 1 42 42 LEU N N 15 115.68 0.30 . . . . . A 42 LEU N . 17014 1 497 . 1 1 43 43 ILE H H 1 8.71 0.02 . . . . . A 43 ILE H . 17014 1 498 . 1 1 43 43 ILE HA H 1 3.92 0.02 . . . . . A 43 ILE HA . 17014 1 499 . 1 1 43 43 ILE HB H 1 1.91 0.02 . . . . . A 43 ILE HB . 17014 1 500 . 1 1 43 43 ILE HG12 H 1 1.58 0.02 . . . . . A 43 ILE HG12 . 17014 1 501 . 1 1 43 43 ILE HG13 H 1 1.38 0.02 . . . . . A 43 ILE HG13 . 17014 1 502 . 1 1 43 43 ILE HG21 H 1 0.94 0.02 . . . . . A 43 ILE HG21 . 17014 1 503 . 1 1 43 43 ILE HG22 H 1 0.94 0.02 . . . . . A 43 ILE HG22 . 17014 1 504 . 1 1 43 43 ILE HG23 H 1 0.94 0.02 . . . . . A 43 ILE HG23 . 17014 1 505 . 1 1 43 43 ILE HD11 H 1 0.78 0.02 . . . . . A 43 ILE HD11 . 17014 1 506 . 1 1 43 43 ILE HD12 H 1 0.78 0.02 . . . . . A 43 ILE HD12 . 17014 1 507 . 1 1 43 43 ILE HD13 H 1 0.78 0.02 . . . . . A 43 ILE HD13 . 17014 1 508 . 1 1 43 43 ILE C C 13 176.76 0.30 . . . . . A 43 ILE C . 17014 1 509 . 1 1 43 43 ILE CA C 13 64.47 0.30 . . . . . A 43 ILE CA . 17014 1 510 . 1 1 43 43 ILE CB C 13 37.20 0.30 . . . . . A 43 ILE CB . 17014 1 511 . 1 1 43 43 ILE CG1 C 13 27.48 0.30 . . . . . A 43 ILE CG1 . 17014 1 512 . 1 1 43 43 ILE CG2 C 13 16.88 0.30 . . . . . A 43 ILE CG2 . 17014 1 513 . 1 1 43 43 ILE CD1 C 13 13.59 0.30 . . . . . A 43 ILE CD1 . 17014 1 514 . 1 1 43 43 ILE N N 15 120.90 0.30 . . . . . A 43 ILE N . 17014 1 515 . 1 1 44 44 ASN H H 1 7.04 0.02 . . . . . A 44 ASN H . 17014 1 516 . 1 1 44 44 ASN HA H 1 4.96 0.02 . . . . . A 44 ASN HA . 17014 1 517 . 1 1 44 44 ASN HB2 H 1 2.83 0.02 . . . . . A 44 ASN HB2 . 17014 1 518 . 1 1 44 44 ASN HB3 H 1 2.43 0.02 . . . . . A 44 ASN HB3 . 17014 1 519 . 1 1 44 44 ASN HD21 H 1 7.46 0.02 . . . . . A 44 ASN HD21 . 17014 1 520 . 1 1 44 44 ASN HD22 H 1 7.06 0.02 . . . . . A 44 ASN HD22 . 17014 1 521 . 1 1 44 44 ASN C C 13 173.85 0.30 . . . . . A 44 ASN C . 17014 1 522 . 1 1 44 44 ASN CA C 13 51.81 0.30 . . . . . A 44 ASN CA . 17014 1 523 . 1 1 44 44 ASN CB C 13 39.42 0.30 . . . . . A 44 ASN CB . 17014 1 524 . 1 1 44 44 ASN N N 15 118.13 0.30 . . . . . A 44 ASN N . 17014 1 525 . 1 1 44 44 ASN ND2 N 15 114.28 0.30 . . . . . A 44 ASN ND2 . 17014 1 526 . 1 1 45 45 LYS H H 1 6.85 0.02 . . . . . A 45 LYS H . 17014 1 527 . 1 1 45 45 LYS HA H 1 4.24 0.02 . . . . . A 45 LYS HA . 17014 1 528 . 1 1 45 45 LYS HB2 H 1 2.10 0.02 . . . . . A 45 LYS HB2 . 17014 1 529 . 1 1 45 45 LYS HB3 H 1 1.93 0.02 . . . . . A 45 LYS HB3 . 17014 1 530 . 1 1 45 45 LYS HG2 H 1 1.51 0.02 . . . . . A 45 LYS HG2 . 17014 1 531 . 1 1 45 45 LYS HG3 H 1 1.51 0.02 . . . . . A 45 LYS HG3 . 17014 1 532 . 1 1 45 45 LYS HD2 H 1 1.79 0.02 . . . . . A 45 LYS HD2 . 17014 1 533 . 1 1 45 45 LYS HD3 H 1 1.73 0.02 . . . . . A 45 LYS HD3 . 17014 1 534 . 1 1 45 45 LYS HE2 H 1 3.07 0.02 . . . . . A 45 LYS HE2 . 17014 1 535 . 1 1 45 45 LYS HE3 H 1 3.00 0.02 . . . . . A 45 LYS HE3 . 17014 1 536 . 1 1 45 45 LYS C C 13 177.40 0.30 . . . . . A 45 LYS C . 17014 1 537 . 1 1 45 45 LYS CA C 13 59.92 0.30 . . . . . A 45 LYS CA . 17014 1 538 . 1 1 45 45 LYS CB C 13 32.40 0.30 . . . . . A 45 LYS CB . 17014 1 539 . 1 1 45 45 LYS CG C 13 24.48 0.30 . . . . . A 45 LYS CG . 17014 1 540 . 1 1 45 45 LYS CD C 13 29.93 0.30 . . . . . A 45 LYS CD . 17014 1 541 . 1 1 45 45 LYS CE C 13 41.50 0.30 . . . . . A 45 LYS CE . 17014 1 542 . 1 1 45 45 LYS N N 15 119.78 0.30 . . . . . A 45 LYS N . 17014 1 543 . 1 1 46 46 GLY H H 1 9.10 0.02 . . . . . A 46 GLY H . 17014 1 544 . 1 1 46 46 GLY HA2 H 1 4.40 0.02 . . . . . A 46 GLY HA2 . 17014 1 545 . 1 1 46 46 GLY HA3 H 1 3.78 0.02 . . . . . A 46 GLY HA3 . 17014 1 546 . 1 1 46 46 GLY C C 13 173.00 0.30 . . . . . A 46 GLY C . 17014 1 547 . 1 1 46 46 GLY CA C 13 45.64 0.30 . . . . . A 46 GLY CA . 17014 1 548 . 1 1 46 46 GLY N N 15 113.83 0.30 . . . . . A 46 GLY N . 17014 1 549 . 1 1 47 47 GLN H H 1 8.61 0.02 . . . . . A 47 GLN H . 17014 1 550 . 1 1 47 47 GLN HA H 1 4.63 0.02 . . . . . A 47 GLN HA . 17014 1 551 . 1 1 47 47 GLN HB2 H 1 2.14 0.02 . . . . . A 47 GLN HB2 . 17014 1 552 . 1 1 47 47 GLN HB3 H 1 2.00 0.02 . . . . . A 47 GLN HB3 . 17014 1 553 . 1 1 47 47 GLN HG2 H 1 2.26 0.02 . . . . . A 47 GLN HG2 . 17014 1 554 . 1 1 47 47 GLN HG3 H 1 2.22 0.02 . . . . . A 47 GLN HG3 . 17014 1 555 . 1 1 47 47 GLN HE21 H 1 7.55 0.02 . . . . . A 47 GLN HE21 . 17014 1 556 . 1 1 47 47 GLN HE22 H 1 6.85 0.02 . . . . . A 47 GLN HE22 . 17014 1 557 . 1 1 47 47 GLN C C 13 173.98 0.30 . . . . . A 47 GLN C . 17014 1 558 . 1 1 47 47 GLN CA C 13 53.69 0.30 . . . . . A 47 GLN CA . 17014 1 559 . 1 1 47 47 GLN CB C 13 31.25 0.30 . . . . . A 47 GLN CB . 17014 1 560 . 1 1 47 47 GLN CG C 13 33.50 0.30 . . . . . A 47 GLN CG . 17014 1 561 . 1 1 47 47 GLN N N 15 118.85 0.30 . . . . . A 47 GLN N . 17014 1 562 . 1 1 47 47 GLN NE2 N 15 112.74 0.30 . . . . . A 47 GLN NE2 . 17014 1 563 . 1 1 48 48 LEU H H 1 8.34 0.02 . . . . . A 48 LEU H . 17014 1 564 . 1 1 48 48 LEU HA H 1 3.96 0.02 . . . . . A 48 LEU HA . 17014 1 565 . 1 1 48 48 LEU HB2 H 1 1.65 0.02 . . . . . A 48 LEU HB2 . 17014 1 566 . 1 1 48 48 LEU HB3 H 1 1.42 0.02 . . . . . A 48 LEU HB3 . 17014 1 567 . 1 1 48 48 LEU HG H 1 1.35 0.02 . . . . . A 48 LEU HG . 17014 1 568 . 1 1 48 48 LEU HD11 H 1 0.77 0.02 . . . . . A 48 LEU HD11 . 17014 1 569 . 1 1 48 48 LEU HD12 H 1 0.77 0.02 . . . . . A 48 LEU HD12 . 17014 1 570 . 1 1 48 48 LEU HD13 H 1 0.77 0.02 . . . . . A 48 LEU HD13 . 17014 1 571 . 1 1 48 48 LEU HD21 H 1 0.68 0.02 . . . . . A 48 LEU HD21 . 17014 1 572 . 1 1 48 48 LEU HD22 H 1 0.68 0.02 . . . . . A 48 LEU HD22 . 17014 1 573 . 1 1 48 48 LEU HD23 H 1 0.68 0.02 . . . . . A 48 LEU HD23 . 17014 1 574 . 1 1 48 48 LEU C C 13 176.94 0.30 . . . . . A 48 LEU C . 17014 1 575 . 1 1 48 48 LEU CA C 13 56.27 0.30 . . . . . A 48 LEU CA . 17014 1 576 . 1 1 48 48 LEU CB C 13 43.00 0.30 . . . . . A 48 LEU CB . 17014 1 577 . 1 1 48 48 LEU CG C 13 27.03 0.30 . . . . . A 48 LEU CG . 17014 1 578 . 1 1 48 48 LEU CD1 C 13 25.82 0.30 . . . . . A 48 LEU CD1 . 17014 1 579 . 1 1 48 48 LEU CD2 C 13 24.13 0.30 . . . . . A 48 LEU CD2 . 17014 1 580 . 1 1 48 48 LEU N N 15 121.29 0.30 . . . . . A 48 LEU N . 17014 1 581 . 1 1 49 49 CYS H H 1 9.36 0.03 . . . . . A 49 CYS H . 17014 1 582 . 1 1 49 49 CYS HA H 1 4.96 0.03 . . . . . A 49 CYS HA . 17014 1 583 . 1 1 49 49 CYS HB2 H 1 3.05 0.02 . . . . . A 49 CYS HB2 . 17014 1 584 . 1 1 49 49 CYS HB3 H 1 2.45 0.02 . . . . . A 49 CYS HB3 . 17014 1 585 . 1 1 49 49 CYS C C 13 174.36 0.30 . . . . . A 49 CYS C . 17014 1 586 . 1 1 49 49 CYS CA C 13 57.87 0.30 . . . . . A 49 CYS CA . 17014 1 587 . 1 1 49 49 CYS CB C 13 29.23 0.30 . . . . . A 49 CYS CB . 17014 1 588 . 1 1 49 49 CYS N N 15 124.70 0.30 . . . . . A 49 CYS N . 17014 1 589 . 1 1 50 50 LEU H H 1 9.34 0.02 . . . . . A 50 LEU H . 17014 1 590 . 1 1 50 50 LEU HA H 1 4.41 0.02 . . . . . A 50 LEU HA . 17014 1 591 . 1 1 50 50 LEU HB2 H 1 1.63 0.02 . . . . . A 50 LEU HB2 . 17014 1 592 . 1 1 50 50 LEU HB3 H 1 1.29 0.02 . . . . . A 50 LEU HB3 . 17014 1 593 . 1 1 50 50 LEU HG H 1 1.78 0.02 . . . . . A 50 LEU HG . 17014 1 594 . 1 1 50 50 LEU HD11 H 1 0.85 0.02 . . . . . A 50 LEU HD11 . 17014 1 595 . 1 1 50 50 LEU HD12 H 1 0.85 0.02 . . . . . A 50 LEU HD12 . 17014 1 596 . 1 1 50 50 LEU HD13 H 1 0.85 0.02 . . . . . A 50 LEU HD13 . 17014 1 597 . 1 1 50 50 LEU HD21 H 1 0.82 0.02 . . . . . A 50 LEU HD21 . 17014 1 598 . 1 1 50 50 LEU HD22 H 1 0.82 0.02 . . . . . A 50 LEU HD22 . 17014 1 599 . 1 1 50 50 LEU HD23 H 1 0.82 0.02 . . . . . A 50 LEU HD23 . 17014 1 600 . 1 1 50 50 LEU C C 13 178.96 0.30 . . . . . A 50 LEU C . 17014 1 601 . 1 1 50 50 LEU CA C 13 55.02 0.30 . . . . . A 50 LEU CA . 17014 1 602 . 1 1 50 50 LEU CB C 13 41.83 0.30 . . . . . A 50 LEU CB . 17014 1 603 . 1 1 50 50 LEU CG C 13 27.28 0.30 . . . . . A 50 LEU CG . 17014 1 604 . 1 1 50 50 LEU CD1 C 13 22.72 0.30 . . . . . A 50 LEU CD1 . 17014 1 605 . 1 1 50 50 LEU CD2 C 13 25.17 0.30 . . . . . A 50 LEU CD2 . 17014 1 606 . 1 1 50 50 LEU N N 15 124.72 0.30 . . . . . A 50 LEU N . 17014 1 607 . 1 1 51 51 ARG H H 1 8.69 0.02 . . . . . A 51 ARG H . 17014 1 608 . 1 1 51 51 ARG HA H 1 3.88 0.02 . . . . . A 51 ARG HA . 17014 1 609 . 1 1 51 51 ARG HB2 H 1 1.91 0.02 . . . . . A 51 ARG HB2 . 17014 1 610 . 1 1 51 51 ARG HB3 H 1 1.91 0.02 . . . . . A 51 ARG HB3 . 17014 1 611 . 1 1 51 51 ARG HG2 H 1 1.63 0.02 . . . . . A 51 ARG HG2 . 17014 1 612 . 1 1 51 51 ARG HG3 H 1 1.60 0.02 . . . . . A 51 ARG HG3 . 17014 1 613 . 1 1 51 51 ARG HD2 H 1 3.30 0.02 . . . . . A 51 ARG HD2 . 17014 1 614 . 1 1 51 51 ARG HD3 H 1 3.23 0.02 . . . . . A 51 ARG HD3 . 17014 1 615 . 1 1 51 51 ARG C C 13 177.97 0.30 . . . . . A 51 ARG C . 17014 1 616 . 1 1 51 51 ARG CA C 13 61.61 0.30 . . . . . A 51 ARG CA . 17014 1 617 . 1 1 51 51 ARG CB C 13 30.10 0.30 . . . . . A 51 ARG CB . 17014 1 618 . 1 1 51 51 ARG CG C 13 28.28 0.30 . . . . . A 51 ARG CG . 17014 1 619 . 1 1 51 51 ARG CD C 13 43.27 0.30 . . . . . A 51 ARG CD . 17014 1 620 . 1 1 51 51 ARG N N 15 122.67 0.30 . . . . . A 51 ARG N . 17014 1 621 . 1 1 52 52 LYS H H 1 8.67 0.02 . . . . . A 52 LYS H . 17014 1 622 . 1 1 52 52 LYS HA H 1 4.05 0.02 . . . . . A 52 LYS HA . 17014 1 623 . 1 1 52 52 LYS HB2 H 1 1.87 0.02 . . . . . A 52 LYS HB2 . 17014 1 624 . 1 1 52 52 LYS HB3 H 1 1.59 0.02 . . . . . A 52 LYS HB3 . 17014 1 625 . 1 1 52 52 LYS HG2 H 1 1.18 0.02 . . . . . A 52 LYS HG2 . 17014 1 626 . 1 1 52 52 LYS HG3 H 1 1.10 0.02 . . . . . A 52 LYS HG3 . 17014 1 627 . 1 1 52 52 LYS HD2 H 1 1.63 0.02 . . . . . A 52 LYS HD2 . 17014 1 628 . 1 1 52 52 LYS HD3 H 1 1.60 0.02 . . . . . A 52 LYS HD3 . 17014 1 629 . 1 1 52 52 LYS C C 13 177.82 0.30 . . . . . A 52 LYS C . 17014 1 630 . 1 1 52 52 LYS CA C 13 59.35 0.30 . . . . . A 52 LYS CA . 17014 1 631 . 1 1 52 52 LYS CB C 13 31.89 0.30 . . . . . A 52 LYS CB . 17014 1 632 . 1 1 52 52 LYS CG C 13 24.21 0.30 . . . . . A 52 LYS CG . 17014 1 633 . 1 1 52 52 LYS CD C 13 28.78 0.30 . . . . . A 52 LYS CD . 17014 1 634 . 1 1 52 52 LYS N N 15 114.75 0.30 . . . . . A 52 LYS N . 17014 1 635 . 1 1 53 53 HIS H H 1 6.89 0.02 . . . . . A 53 HIS H . 17014 1 636 . 1 1 53 53 HIS HA H 1 4.62 0.02 . . . . . A 53 HIS HA . 17014 1 637 . 1 1 53 53 HIS HB2 H 1 3.28 0.02 . . . . . A 53 HIS HB2 . 17014 1 638 . 1 1 53 53 HIS HB3 H 1 3.13 0.02 . . . . . A 53 HIS HB3 . 17014 1 639 . 1 1 53 53 HIS C C 13 177.79 0.30 . . . . . A 53 HIS C . 17014 1 640 . 1 1 53 53 HIS CA C 13 57.67 0.30 . . . . . A 53 HIS CA . 17014 1 641 . 1 1 53 53 HIS CB C 13 31.63 0.30 . . . . . A 53 HIS CB . 17014 1 642 . 1 1 53 53 HIS N N 15 118.79 0.30 . . . . . A 53 HIS N . 17014 1 643 . 1 1 54 54 LEU H H 1 7.72 0.02 . . . . . A 54 LEU H . 17014 1 644 . 1 1 54 54 LEU HA H 1 4.02 0.02 . . . . . A 54 LEU HA . 17014 1 645 . 1 1 54 54 LEU HB2 H 1 1.96 0.02 . . . . . A 54 LEU HB2 . 17014 1 646 . 1 1 54 54 LEU HB3 H 1 1.26 0.02 . . . . . A 54 LEU HB3 . 17014 1 647 . 1 1 54 54 LEU HG H 1 1.78 0.02 . . . . . A 54 LEU HG . 17014 1 648 . 1 1 54 54 LEU HD11 H 1 0.79 0.02 . . . . . A 54 LEU HD11 . 17014 1 649 . 1 1 54 54 LEU HD12 H 1 0.79 0.02 . . . . . A 54 LEU HD12 . 17014 1 650 . 1 1 54 54 LEU HD13 H 1 0.79 0.02 . . . . . A 54 LEU HD13 . 17014 1 651 . 1 1 54 54 LEU HD21 H 1 0.79 0.02 . . . . . A 54 LEU HD21 . 17014 1 652 . 1 1 54 54 LEU HD22 H 1 0.79 0.02 . . . . . A 54 LEU HD22 . 17014 1 653 . 1 1 54 54 LEU HD23 H 1 0.79 0.02 . . . . . A 54 LEU HD23 . 17014 1 654 . 1 1 54 54 LEU C C 13 178.42 0.30 . . . . . A 54 LEU C . 17014 1 655 . 1 1 54 54 LEU CA C 13 57.47 0.30 . . . . . A 54 LEU CA . 17014 1 656 . 1 1 54 54 LEU CB C 13 41.31 0.30 . . . . . A 54 LEU CB . 17014 1 657 . 1 1 54 54 LEU CG C 13 27.11 0.30 . . . . . A 54 LEU CG . 17014 1 658 . 1 1 54 54 LEU CD1 C 13 27.02 0.30 . . . . . A 54 LEU CD1 . 17014 1 659 . 1 1 54 54 LEU CD2 C 13 23.07 0.30 . . . . . A 54 LEU CD2 . 17014 1 660 . 1 1 54 54 LEU N N 15 118.09 0.30 . . . . . A 54 LEU N . 17014 1 661 . 1 1 55 55 LEU H H 1 8.26 0.02 . . . . . A 55 LEU H . 17014 1 662 . 1 1 55 55 LEU HA H 1 3.87 0.02 . . . . . A 55 LEU HA . 17014 1 663 . 1 1 55 55 LEU HB2 H 1 1.73 0.02 . . . . . A 55 LEU HB2 . 17014 1 664 . 1 1 55 55 LEU HB3 H 1 1.64 0.02 . . . . . A 55 LEU HB3 . 17014 1 665 . 1 1 55 55 LEU HG H 1 1.59 0.02 . . . . . A 55 LEU HG . 17014 1 666 . 1 1 55 55 LEU HD11 H 1 0.85 0.02 . . . . . A 55 LEU HD11 . 17014 1 667 . 1 1 55 55 LEU HD12 H 1 0.85 0.02 . . . . . A 55 LEU HD12 . 17014 1 668 . 1 1 55 55 LEU HD13 H 1 0.85 0.02 . . . . . A 55 LEU HD13 . 17014 1 669 . 1 1 55 55 LEU HD21 H 1 0.89 0.02 . . . . . A 55 LEU HD21 . 17014 1 670 . 1 1 55 55 LEU HD22 H 1 0.89 0.02 . . . . . A 55 LEU HD22 . 17014 1 671 . 1 1 55 55 LEU HD23 H 1 0.89 0.02 . . . . . A 55 LEU HD23 . 17014 1 672 . 1 1 55 55 LEU C C 13 178.85 0.30 . . . . . A 55 LEU C . 17014 1 673 . 1 1 55 55 LEU CA C 13 57.65 0.30 . . . . . A 55 LEU CA . 17014 1 674 . 1 1 55 55 LEU CB C 13 41.73 0.30 . . . . . A 55 LEU CB . 17014 1 675 . 1 1 55 55 LEU CG C 13 27.05 0.30 . . . . . A 55 LEU CG . 17014 1 676 . 1 1 55 55 LEU CD1 C 13 24.74 0.30 . . . . . A 55 LEU CD1 . 17014 1 677 . 1 1 55 55 LEU CD2 C 13 24.74 0.30 . . . . . A 55 LEU CD2 . 17014 1 678 . 1 1 55 55 LEU N N 15 119.17 0.30 . . . . . A 55 LEU N . 17014 1 679 . 1 1 56 56 GLU H H 1 7.35 0.02 . . . . . A 56 GLU H . 17014 1 680 . 1 1 56 56 GLU HA H 1 3.93 0.02 . . . . . A 56 GLU HA . 17014 1 681 . 1 1 56 56 GLU HB2 H 1 2.19 0.02 . . . . . A 56 GLU HB2 . 17014 1 682 . 1 1 56 56 GLU HB3 H 1 2.11 0.02 . . . . . A 56 GLU HB3 . 17014 1 683 . 1 1 56 56 GLU HG2 H 1 2.52 0.02 . . . . . A 56 GLU HG2 . 17014 1 684 . 1 1 56 56 GLU HG3 H 1 2.32 0.02 . . . . . A 56 GLU HG3 . 17014 1 685 . 1 1 56 56 GLU C C 13 178.18 0.30 . . . . . A 56 GLU C . 17014 1 686 . 1 1 56 56 GLU CA C 13 58.76 0.30 . . . . . A 56 GLU CA . 17014 1 687 . 1 1 56 56 GLU CB C 13 29.59 0.30 . . . . . A 56 GLU CB . 17014 1 688 . 1 1 56 56 GLU CG C 13 36.18 0.30 . . . . . A 56 GLU CG . 17014 1 689 . 1 1 56 56 GLU N N 15 116.64 0.30 . . . . . A 56 GLU N . 17014 1 690 . 1 1 57 57 GLU H H 1 7.39 0.02 . . . . . A 57 GLU H . 17014 1 691 . 1 1 57 57 GLU HA H 1 4.20 0.02 . . . . . A 57 GLU HA . 17014 1 692 . 1 1 57 57 GLU HB2 H 1 2.05 0.02 . . . . . A 57 GLU HB2 . 17014 1 693 . 1 1 57 57 GLU HB3 H 1 2.05 0.02 . . . . . A 57 GLU HB3 . 17014 1 694 . 1 1 57 57 GLU HG2 H 1 2.35 0.02 . . . . . A 57 GLU HG2 . 17014 1 695 . 1 1 57 57 GLU HG3 H 1 2.10 0.02 . . . . . A 57 GLU HG3 . 17014 1 696 . 1 1 57 57 GLU C C 13 177.72 0.30 . . . . . A 57 GLU C . 17014 1 697 . 1 1 57 57 GLU CA C 13 56.93 0.30 . . . . . A 57 GLU CA . 17014 1 698 . 1 1 57 57 GLU CB C 13 29.50 0.30 . . . . . A 57 GLU CB . 17014 1 699 . 1 1 57 57 GLU CG C 13 34.65 0.30 . . . . . A 57 GLU CG . 17014 1 700 . 1 1 57 57 GLU N N 15 115.29 0.30 . . . . . A 57 GLU N . 17014 1 701 . 1 1 58 58 ILE H H 1 7.29 0.02 . . . . . A 58 ILE H . 17014 1 702 . 1 1 58 58 ILE HA H 1 3.97 0.02 . . . . . A 58 ILE HA . 17014 1 703 . 1 1 58 58 ILE HB H 1 2.00 0.02 . . . . . A 58 ILE HB . 17014 1 704 . 1 1 58 58 ILE HG12 H 1 1.46 0.02 . . . . . A 58 ILE HG12 . 17014 1 705 . 1 1 58 58 ILE HG13 H 1 1.03 0.02 . . . . . A 58 ILE HG13 . 17014 1 706 . 1 1 58 58 ILE HG21 H 1 0.81 0.02 . . . . . A 58 ILE HG21 . 17014 1 707 . 1 1 58 58 ILE HG22 H 1 0.81 0.02 . . . . . A 58 ILE HG22 . 17014 1 708 . 1 1 58 58 ILE HG23 H 1 0.81 0.02 . . . . . A 58 ILE HG23 . 17014 1 709 . 1 1 58 58 ILE HD11 H 1 0.73 0.02 . . . . . A 58 ILE HD11 . 17014 1 710 . 1 1 58 58 ILE HD12 H 1 0.73 0.02 . . . . . A 58 ILE HD12 . 17014 1 711 . 1 1 58 58 ILE HD13 H 1 0.73 0.02 . . . . . A 58 ILE HD13 . 17014 1 712 . 1 1 58 58 ILE C C 13 176.73 0.30 . . . . . A 58 ILE C . 17014 1 713 . 1 1 58 58 ILE CA C 13 62.20 0.30 . . . . . A 58 ILE CA . 17014 1 714 . 1 1 58 58 ILE CB C 13 37.84 0.30 . . . . . A 58 ILE CB . 17014 1 715 . 1 1 58 58 ILE CG1 C 13 27.06 0.30 . . . . . A 58 ILE CG1 . 17014 1 716 . 1 1 58 58 ILE CG2 C 13 17.95 0.30 . . . . . A 58 ILE CG2 . 17014 1 717 . 1 1 58 58 ILE CD1 C 13 14.46 0.30 . . . . . A 58 ILE CD1 . 17014 1 718 . 1 1 58 58 ILE N N 15 113.71 0.30 . . . . . A 58 ILE N . 17014 1 719 . 1 1 59 59 LYS H H 1 7.81 0.02 . . . . . A 59 LYS H . 17014 1 720 . 1 1 59 59 LYS HA H 1 4.16 0.02 . . . . . A 59 LYS HA . 17014 1 721 . 1 1 59 59 LYS HB2 H 1 1.75 0.02 . . . . . A 59 LYS HB2 . 17014 1 722 . 1 1 59 59 LYS HB3 H 1 1.75 0.02 . . . . . A 59 LYS HB3 . 17014 1 723 . 1 1 59 59 LYS C C 13 176.52 0.30 . . . . . A 59 LYS C . 17014 1 724 . 1 1 59 59 LYS CA C 13 57.60 0.30 . . . . . A 59 LYS CA . 17014 1 725 . 1 1 59 59 LYS CB C 13 32.83 0.30 . . . . . A 59 LYS CB . 17014 1 726 . 1 1 59 59 LYS N N 15 123.85 0.30 . . . . . A 59 LYS N . 17014 1 727 . 1 1 60 60 ASN H H 1 8.26 0.02 . . . . . A 60 ASN H . 17014 1 728 . 1 1 60 60 ASN HA H 1 4.58 0.02 . . . . . A 60 ASN HA . 17014 1 729 . 1 1 60 60 ASN HB2 H 1 2.68 0.02 . . . . . A 60 ASN HB2 . 17014 1 730 . 1 1 60 60 ASN HB3 H 1 2.54 0.02 . . . . . A 60 ASN HB3 . 17014 1 731 . 1 1 60 60 ASN HD21 H 1 7.51 0.02 . . . . . A 60 ASN HD21 . 17014 1 732 . 1 1 60 60 ASN HD22 H 1 6.95 0.02 . . . . . A 60 ASN HD22 . 17014 1 733 . 1 1 60 60 ASN CA C 13 53.89 0.30 . . . . . A 60 ASN CA . 17014 1 734 . 1 1 60 60 ASN CB C 13 38.45 0.30 . . . . . A 60 ASN CB . 17014 1 735 . 1 1 60 60 ASN N N 15 116.73 0.30 . . . . . A 60 ASN N . 17014 1 736 . 1 1 60 60 ASN ND2 N 15 112.94 0.30 . . . . . A 60 ASN ND2 . 17014 1 737 . 1 1 61 61 HIS HA H 1 4.63 0.02 . . . . . A 61 HIS HA . 17014 1 738 . 1 1 61 61 HIS HB2 H 1 3.14 0.02 . . . . . A 61 HIS HB2 . 17014 1 739 . 1 1 61 61 HIS HB3 H 1 2.95 0.02 . . . . . A 61 HIS HB3 . 17014 1 740 . 1 1 61 61 HIS C C 13 175.14 0.30 . . . . . A 61 HIS C . 17014 1 741 . 1 1 61 61 HIS CA C 13 56.46 0.30 . . . . . A 61 HIS CA . 17014 1 742 . 1 1 61 61 HIS CB C 13 30.54 0.30 . . . . . A 61 HIS CB . 17014 1 743 . 1 1 62 62 ALA H H 1 8.03 0.02 . . . . . A 62 ALA H . 17014 1 744 . 1 1 62 62 ALA HA H 1 4.31 0.02 . . . . . A 62 ALA HA . 17014 1 745 . 1 1 62 62 ALA HB1 H 1 1.35 0.02 . . . . . A 62 ALA HB1 . 17014 1 746 . 1 1 62 62 ALA HB2 H 1 1.35 0.02 . . . . . A 62 ALA HB2 . 17014 1 747 . 1 1 62 62 ALA HB3 H 1 1.35 0.02 . . . . . A 62 ALA HB3 . 17014 1 748 . 1 1 62 62 ALA C C 13 177.16 0.30 . . . . . A 62 ALA C . 17014 1 749 . 1 1 62 62 ALA CA C 13 52.63 0.30 . . . . . A 62 ALA CA . 17014 1 750 . 1 1 62 62 ALA CB C 13 19.35 0.30 . . . . . A 62 ALA CB . 17014 1 751 . 1 1 62 62 ALA N N 15 123.64 0.30 . . . . . A 62 ALA N . 17014 1 752 . 1 1 63 63 LYS H H 1 8.22 0.02 . . . . . A 63 LYS H . 17014 1 753 . 1 1 63 63 LYS HA H 1 4.24 0.02 . . . . . A 63 LYS HA . 17014 1 754 . 1 1 63 63 LYS HB2 H 1 1.90 0.02 . . . . . A 63 LYS HB2 . 17014 1 755 . 1 1 63 63 LYS HB3 H 1 1.78 0.02 . . . . . A 63 LYS HB3 . 17014 1 756 . 1 1 63 63 LYS C C 13 176.46 0.30 . . . . . A 63 LYS C . 17014 1 757 . 1 1 63 63 LYS CA C 13 56.75 0.30 . . . . . A 63 LYS CA . 17014 1 758 . 1 1 63 63 LYS CB C 13 32.63 0.30 . . . . . A 63 LYS CB . 17014 1 759 . 1 1 63 63 LYS N N 15 120.90 0.30 . . . . . A 63 LYS N . 17014 1 760 . 1 1 64 64 ALA H H 1 8.07 0.02 . . . . . A 64 ALA H . 17014 1 761 . 1 1 64 64 ALA HA H 1 4.30 0.02 . . . . . A 64 ALA HA . 17014 1 762 . 1 1 64 64 ALA HB1 H 1 1.36 0.02 . . . . . A 64 ALA HB1 . 17014 1 763 . 1 1 64 64 ALA HB2 H 1 1.36 0.02 . . . . . A 64 ALA HB2 . 17014 1 764 . 1 1 64 64 ALA HB3 H 1 1.36 0.02 . . . . . A 64 ALA HB3 . 17014 1 765 . 1 1 64 64 ALA C C 13 177.39 0.30 . . . . . A 64 ALA C . 17014 1 766 . 1 1 64 64 ALA CA C 13 52.53 0.30 . . . . . A 64 ALA CA . 17014 1 767 . 1 1 64 64 ALA CB C 13 19.27 0.30 . . . . . A 64 ALA CB . 17014 1 768 . 1 1 64 64 ALA N N 15 122.72 0.30 . . . . . A 64 ALA N . 17014 1 769 . 1 1 65 65 ILE H H 1 8.11 0.02 . . . . . A 65 ILE H . 17014 1 770 . 1 1 65 65 ILE HA H 1 4.07 0.02 . . . . . A 65 ILE HA . 17014 1 771 . 1 1 65 65 ILE HB H 1 1.87 0.02 . . . . . A 65 ILE HB . 17014 1 772 . 1 1 65 65 ILE HG12 H 1 1.48 0.02 . . . . . A 65 ILE HG12 . 17014 1 773 . 1 1 65 65 ILE HG13 H 1 1.20 0.02 . . . . . A 65 ILE HG13 . 17014 1 774 . 1 1 65 65 ILE HG21 H 1 0.88 0.02 . . . . . A 65 ILE HG21 . 17014 1 775 . 1 1 65 65 ILE HG22 H 1 0.88 0.02 . . . . . A 65 ILE HG22 . 17014 1 776 . 1 1 65 65 ILE HG23 H 1 0.88 0.02 . . . . . A 65 ILE HG23 . 17014 1 777 . 1 1 65 65 ILE HD11 H 1 0.84 0.02 . . . . . A 65 ILE HD11 . 17014 1 778 . 1 1 65 65 ILE HD12 H 1 0.84 0.02 . . . . . A 65 ILE HD12 . 17014 1 779 . 1 1 65 65 ILE HD13 H 1 0.84 0.02 . . . . . A 65 ILE HD13 . 17014 1 780 . 1 1 65 65 ILE C C 13 176.57 0.30 . . . . . A 65 ILE C . 17014 1 781 . 1 1 65 65 ILE CA C 13 61.93 0.30 . . . . . A 65 ILE CA . 17014 1 782 . 1 1 65 65 ILE CB C 13 38.29 0.30 . . . . . A 65 ILE CB . 17014 1 783 . 1 1 65 65 ILE CG1 C 13 27.53 0.30 . . . . . A 65 ILE CG1 . 17014 1 784 . 1 1 65 65 ILE CG2 C 13 17.63 0.30 . . . . . A 65 ILE CG2 . 17014 1 785 . 1 1 65 65 ILE CD1 C 13 12.92 0.30 . . . . . A 65 ILE CD1 . 17014 1 786 . 1 1 65 65 ILE N N 15 119.38 0.30 . . . . . A 65 ILE N . 17014 1 787 . 1 1 66 66 VAL H H 1 7.90 0.02 . . . . . A 66 VAL H . 17014 1 788 . 1 1 66 66 VAL HA H 1 4.22 0.02 . . . . . A 66 VAL HA . 17014 1 789 . 1 1 66 66 VAL HB H 1 2.12 0.02 . . . . . A 66 VAL HB . 17014 1 790 . 1 1 66 66 VAL HG11 H 1 0.93 0.02 . . . . . A 66 VAL HG11 . 17014 1 791 . 1 1 66 66 VAL HG12 H 1 0.93 0.02 . . . . . A 66 VAL HG12 . 17014 1 792 . 1 1 66 66 VAL HG13 H 1 0.93 0.02 . . . . . A 66 VAL HG13 . 17014 1 793 . 1 1 66 66 VAL HG21 H 1 0.93 0.02 . . . . . A 66 VAL HG21 . 17014 1 794 . 1 1 66 66 VAL HG22 H 1 0.93 0.02 . . . . . A 66 VAL HG22 . 17014 1 795 . 1 1 66 66 VAL HG23 H 1 0.93 0.02 . . . . . A 66 VAL HG23 . 17014 1 796 . 1 1 66 66 VAL C C 13 176.03 0.30 . . . . . A 66 VAL C . 17014 1 797 . 1 1 66 66 VAL CA C 13 61.85 0.30 . . . . . A 66 VAL CA . 17014 1 798 . 1 1 66 66 VAL CB C 13 33.08 0.30 . . . . . A 66 VAL CB . 17014 1 799 . 1 1 66 66 VAL CG1 C 13 21.19 0.30 . . . . . A 66 VAL CG1 . 17014 1 800 . 1 1 66 66 VAL CG2 C 13 20.61 0.30 . . . . . A 66 VAL CG2 . 17014 1 801 . 1 1 66 66 VAL N N 15 121.30 0.30 . . . . . A 66 VAL N . 17014 1 802 . 1 1 67 67 ALA H H 1 8.33 0.02 . . . . . A 67 ALA H . 17014 1 803 . 1 1 67 67 ALA HA H 1 4.31 0.02 . . . . . A 67 ALA HA . 17014 1 804 . 1 1 67 67 ALA HB1 H 1 1.40 0.02 . . . . . A 67 ALA HB1 . 17014 1 805 . 1 1 67 67 ALA HB2 H 1 1.40 0.02 . . . . . A 67 ALA HB2 . 17014 1 806 . 1 1 67 67 ALA HB3 H 1 1.40 0.02 . . . . . A 67 ALA HB3 . 17014 1 807 . 1 1 67 67 ALA C C 13 178.15 0.30 . . . . . A 67 ALA C . 17014 1 808 . 1 1 67 67 ALA CA C 13 53.40 0.30 . . . . . A 67 ALA CA . 17014 1 809 . 1 1 67 67 ALA CB C 13 18.82 0.30 . . . . . A 67 ALA CB . 17014 1 810 . 1 1 67 67 ALA N N 15 126.12 0.30 . . . . . A 67 ALA N . 17014 1 811 . 1 1 68 68 ARG H H 1 8.37 0.02 . . . . . A 68 ARG H . 17014 1 812 . 1 1 68 68 ARG HA H 1 4.27 0.02 . . . . . A 68 ARG HA . 17014 1 813 . 1 1 68 68 ARG HB2 H 1 1.82 0.02 . . . . . A 68 ARG HB2 . 17014 1 814 . 1 1 68 68 ARG HB3 H 1 1.82 0.02 . . . . . A 68 ARG HB3 . 17014 1 815 . 1 1 68 68 ARG C C 13 175.47 0.30 . . . . . A 68 ARG C . 17014 1 816 . 1 1 68 68 ARG CA C 13 56.19 0.30 . . . . . A 68 ARG CA . 17014 1 817 . 1 1 68 68 ARG CB C 13 29.62 0.30 . . . . . A 68 ARG CB . 17014 1 818 . 1 1 68 68 ARG N N 15 119.42 0.30 . . . . . A 68 ARG N . 17014 1 819 . 1 1 69 69 ASN H H 1 7.76 0.02 . . . . . A 69 ASN H . 17014 1 820 . 1 1 69 69 ASN HA H 1 4.71 0.02 . . . . . A 69 ASN HA . 17014 1 821 . 1 1 69 69 ASN HB2 H 1 2.86 0.02 . . . . . A 69 ASN HB2 . 17014 1 822 . 1 1 69 69 ASN HB3 H 1 2.81 0.02 . . . . . A 69 ASN HB3 . 17014 1 823 . 1 1 69 69 ASN HD21 H 1 7.68 0.02 . . . . . A 69 ASN HD21 . 17014 1 824 . 1 1 69 69 ASN HD22 H 1 7.08 0.02 . . . . . A 69 ASN HD22 . 17014 1 825 . 1 1 69 69 ASN C C 13 176.02 0.30 . . . . . A 69 ASN C . 17014 1 826 . 1 1 69 69 ASN CA C 13 53.15 0.30 . . . . . A 69 ASN CA . 17014 1 827 . 1 1 69 69 ASN CB C 13 39.30 0.30 . . . . . A 69 ASN CB . 17014 1 828 . 1 1 69 69 ASN N N 15 117.94 0.30 . . . . . A 69 ASN N . 17014 1 829 . 1 1 69 69 ASN ND2 N 15 112.11 0.30 . . . . . A 69 ASN ND2 . 17014 1 830 . 1 1 70 70 VAL H H 1 8.52 0.02 . . . . . A 70 VAL H . 17014 1 831 . 1 1 70 70 VAL HA H 1 3.59 0.02 . . . . . A 70 VAL HA . 17014 1 832 . 1 1 70 70 VAL HB H 1 2.08 0.02 . . . . . A 70 VAL HB . 17014 1 833 . 1 1 70 70 VAL HG11 H 1 1.02 0.02 . . . . . A 70 VAL HG11 . 17014 1 834 . 1 1 70 70 VAL HG12 H 1 1.02 0.02 . . . . . A 70 VAL HG12 . 17014 1 835 . 1 1 70 70 VAL HG13 H 1 1.02 0.02 . . . . . A 70 VAL HG13 . 17014 1 836 . 1 1 70 70 VAL HG21 H 1 0.85 0.02 . . . . . A 70 VAL HG21 . 17014 1 837 . 1 1 70 70 VAL HG22 H 1 0.85 0.02 . . . . . A 70 VAL HG22 . 17014 1 838 . 1 1 70 70 VAL HG23 H 1 0.85 0.02 . . . . . A 70 VAL HG23 . 17014 1 839 . 1 1 70 70 VAL C C 13 176.36 0.30 . . . . . A 70 VAL C . 17014 1 840 . 1 1 70 70 VAL CA C 13 66.24 0.30 . . . . . A 70 VAL CA . 17014 1 841 . 1 1 70 70 VAL CB C 13 32.64 0.30 . . . . . A 70 VAL CB . 17014 1 842 . 1 1 70 70 VAL CG1 C 13 23.01 0.30 . . . . . A 70 VAL CG1 . 17014 1 843 . 1 1 70 70 VAL CG2 C 13 22.74 0.30 . . . . . A 70 VAL CG2 . 17014 1 844 . 1 1 70 70 VAL N N 15 121.67 0.30 . . . . . A 70 VAL N . 17014 1 845 . 1 1 71 71 ASP H H 1 8.03 0.02 . . . . . A 71 ASP H . 17014 1 846 . 1 1 71 71 ASP HA H 1 4.16 0.02 . . . . . A 71 ASP HA . 17014 1 847 . 1 1 71 71 ASP HB2 H 1 2.72 0.02 . . . . . A 71 ASP HB2 . 17014 1 848 . 1 1 71 71 ASP HB3 H 1 2.72 0.02 . . . . . A 71 ASP HB3 . 17014 1 849 . 1 1 71 71 ASP C C 13 178.67 0.30 . . . . . A 71 ASP C . 17014 1 850 . 1 1 71 71 ASP CA C 13 58.05 0.30 . . . . . A 71 ASP CA . 17014 1 851 . 1 1 71 71 ASP CB C 13 40.43 0.30 . . . . . A 71 ASP CB . 17014 1 852 . 1 1 71 71 ASP N N 15 118.13 0.30 . . . . . A 71 ASP N . 17014 1 853 . 1 1 72 72 VAL H H 1 7.54 0.02 . . . . . A 72 VAL H . 17014 1 854 . 1 1 72 72 VAL HA H 1 3.70 0.02 . . . . . A 72 VAL HA . 17014 1 855 . 1 1 72 72 VAL HB H 1 1.83 0.02 . . . . . A 72 VAL HB . 17014 1 856 . 1 1 72 72 VAL HG11 H 1 0.86 0.02 . . . . . A 72 VAL HG11 . 17014 1 857 . 1 1 72 72 VAL HG12 H 1 0.86 0.02 . . . . . A 72 VAL HG12 . 17014 1 858 . 1 1 72 72 VAL HG13 H 1 0.86 0.02 . . . . . A 72 VAL HG13 . 17014 1 859 . 1 1 72 72 VAL HG21 H 1 0.65 0.02 . . . . . A 72 VAL HG21 . 17014 1 860 . 1 1 72 72 VAL HG22 H 1 0.65 0.02 . . . . . A 72 VAL HG22 . 17014 1 861 . 1 1 72 72 VAL HG23 H 1 0.65 0.02 . . . . . A 72 VAL HG23 . 17014 1 862 . 1 1 72 72 VAL C C 13 178.02 0.30 . . . . . A 72 VAL C . 17014 1 863 . 1 1 72 72 VAL CA C 13 65.61 0.30 . . . . . A 72 VAL CA . 17014 1 864 . 1 1 72 72 VAL CB C 13 31.72 0.30 . . . . . A 72 VAL CB . 17014 1 865 . 1 1 72 72 VAL CG1 C 13 21.72 0.30 . . . . . A 72 VAL CG1 . 17014 1 866 . 1 1 72 72 VAL CG2 C 13 20.41 0.30 . . . . . A 72 VAL CG2 . 17014 1 867 . 1 1 72 72 VAL N N 15 119.41 0.30 . . . . . A 72 VAL N . 17014 1 868 . 1 1 73 73 HIS H H 1 6.87 0.02 . . . . . A 73 HIS H . 17014 1 869 . 1 1 73 73 HIS HA H 1 4.55 0.02 . . . . . A 73 HIS HA . 17014 1 870 . 1 1 73 73 HIS HB2 H 1 2.82 0.02 . . . . . A 73 HIS HB2 . 17014 1 871 . 1 1 73 73 HIS HB3 H 1 2.64 0.02 . . . . . A 73 HIS HB3 . 17014 1 872 . 1 1 73 73 HIS C C 13 177.86 0.30 . . . . . A 73 HIS C . 17014 1 873 . 1 1 73 73 HIS CA C 13 58.33 0.30 . . . . . A 73 HIS CA . 17014 1 874 . 1 1 73 73 HIS CB C 13 31.31 0.30 . . . . . A 73 HIS CB . 17014 1 875 . 1 1 73 73 HIS N N 15 119.97 0.30 . . . . . A 73 HIS N . 17014 1 876 . 1 1 74 74 ILE H H 1 7.99 0.02 . . . . . A 74 ILE H . 17014 1 877 . 1 1 74 74 ILE HA H 1 3.56 0.02 . . . . . A 74 ILE HA . 17014 1 878 . 1 1 74 74 ILE HB H 1 1.92 0.02 . . . . . A 74 ILE HB . 17014 1 879 . 1 1 74 74 ILE HG12 H 1 1.05 0.02 . . . . . A 74 ILE HG12 . 17014 1 880 . 1 1 74 74 ILE HG13 H 1 0.55 0.02 . . . . . A 74 ILE HG13 . 17014 1 881 . 1 1 74 74 ILE HG21 H 1 0.56 0.02 . . . . . A 74 ILE HG21 . 17014 1 882 . 1 1 74 74 ILE HG22 H 1 0.56 0.02 . . . . . A 74 ILE HG22 . 17014 1 883 . 1 1 74 74 ILE HG23 H 1 0.56 0.02 . . . . . A 74 ILE HG23 . 17014 1 884 . 1 1 74 74 ILE HD11 H 1 0.02 0.02 . . . . . A 74 ILE HD11 . 17014 1 885 . 1 1 74 74 ILE HD12 H 1 0.02 0.02 . . . . . A 74 ILE HD12 . 17014 1 886 . 1 1 74 74 ILE HD13 H 1 0.02 0.02 . . . . . A 74 ILE HD13 . 17014 1 887 . 1 1 74 74 ILE C C 13 177.31 0.30 . . . . . A 74 ILE C . 17014 1 888 . 1 1 74 74 ILE CA C 13 62.69 0.30 . . . . . A 74 ILE CA . 17014 1 889 . 1 1 74 74 ILE CB C 13 35.22 0.30 . . . . . A 74 ILE CB . 17014 1 890 . 1 1 74 74 ILE CG1 C 13 26.86 0.30 . . . . . A 74 ILE CG1 . 17014 1 891 . 1 1 74 74 ILE CG2 C 13 16.24 0.30 . . . . . A 74 ILE CG2 . 17014 1 892 . 1 1 74 74 ILE CD1 C 13 10.15 0.30 . . . . . A 74 ILE CD1 . 17014 1 893 . 1 1 74 74 ILE N N 15 119.70 0.30 . . . . . A 74 ILE N . 17014 1 894 . 1 1 75 75 ALA H H 1 7.92 0.02 . . . . . A 75 ALA H . 17014 1 895 . 1 1 75 75 ALA HA H 1 4.06 0.02 . . . . . A 75 ALA HA . 17014 1 896 . 1 1 75 75 ALA HB1 H 1 1.46 0.02 . . . . . A 75 ALA HB1 . 17014 1 897 . 1 1 75 75 ALA HB2 H 1 1.46 0.02 . . . . . A 75 ALA HB2 . 17014 1 898 . 1 1 75 75 ALA HB3 H 1 1.46 0.02 . . . . . A 75 ALA HB3 . 17014 1 899 . 1 1 75 75 ALA C C 13 180.71 0.30 . . . . . A 75 ALA C . 17014 1 900 . 1 1 75 75 ALA CA C 13 55.34 0.30 . . . . . A 75 ALA CA . 17014 1 901 . 1 1 75 75 ALA CB C 13 17.68 0.30 . . . . . A 75 ALA CB . 17014 1 902 . 1 1 75 75 ALA N N 15 121.21 0.30 . . . . . A 75 ALA N . 17014 1 903 . 1 1 76 76 SER H H 1 7.76 0.02 . . . . . A 76 SER H . 17014 1 904 . 1 1 76 76 SER HA H 1 4.22 0.02 . . . . . A 76 SER HA . 17014 1 905 . 1 1 76 76 SER HB2 H 1 3.97 0.02 . . . . . A 76 SER HB2 . 17014 1 906 . 1 1 76 76 SER HB3 H 1 3.97 0.02 . . . . . A 76 SER HB3 . 17014 1 907 . 1 1 76 76 SER C C 13 177.24 0.30 . . . . . A 76 SER C . 17014 1 908 . 1 1 76 76 SER CA C 13 61.16 0.30 . . . . . A 76 SER CA . 17014 1 909 . 1 1 76 76 SER CB C 13 62.30 0.30 . . . . . A 76 SER CB . 17014 1 910 . 1 1 76 76 SER N N 15 113.70 0.30 . . . . . A 76 SER N . 17014 1 911 . 1 1 77 77 LEU H H 1 8.32 0.02 . . . . . A 77 LEU H . 17014 1 912 . 1 1 77 77 LEU HA H 1 3.80 0.02 . . . . . A 77 LEU HA . 17014 1 913 . 1 1 77 77 LEU HB2 H 1 1.78 0.02 . . . . . A 77 LEU HB2 . 17014 1 914 . 1 1 77 77 LEU HB3 H 1 1.78 0.02 . . . . . A 77 LEU HB3 . 17014 1 915 . 1 1 77 77 LEU HG H 1 1.78 0.02 . . . . . A 77 LEU HG . 17014 1 916 . 1 1 77 77 LEU HD11 H 1 0.76 0.02 . . . . . A 77 LEU HD11 . 17014 1 917 . 1 1 77 77 LEU HD12 H 1 0.76 0.02 . . . . . A 77 LEU HD12 . 17014 1 918 . 1 1 77 77 LEU HD13 H 1 0.76 0.02 . . . . . A 77 LEU HD13 . 17014 1 919 . 1 1 77 77 LEU HD21 H 1 0.77 0.02 . . . . . A 77 LEU HD21 . 17014 1 920 . 1 1 77 77 LEU HD22 H 1 0.77 0.02 . . . . . A 77 LEU HD22 . 17014 1 921 . 1 1 77 77 LEU HD23 H 1 0.77 0.02 . . . . . A 77 LEU HD23 . 17014 1 922 . 1 1 77 77 LEU C C 13 177.96 0.30 . . . . . A 77 LEU C . 17014 1 923 . 1 1 77 77 LEU CA C 13 58.37 0.30 . . . . . A 77 LEU CA . 17014 1 924 . 1 1 77 77 LEU CB C 13 43.03 0.30 . . . . . A 77 LEU CB . 17014 1 925 . 1 1 77 77 LEU CG C 13 27.11 0.30 . . . . . A 77 LEU CG . 17014 1 926 . 1 1 77 77 LEU CD1 C 13 26.07 0.30 . . . . . A 77 LEU CD1 . 17014 1 927 . 1 1 77 77 LEU CD2 C 13 24.26 0.30 . . . . . A 77 LEU CD2 . 17014 1 928 . 1 1 77 77 LEU N N 15 123.25 0.30 . . . . . A 77 LEU N . 17014 1 929 . 1 1 78 78 ARG H H 1 8.63 0.02 . . . . . A 78 ARG H . 17014 1 930 . 1 1 78 78 ARG HA H 1 3.70 0.02 . . . . . A 78 ARG HA . 17014 1 931 . 1 1 78 78 ARG HB2 H 1 1.87 0.02 . . . . . A 78 ARG HB2 . 17014 1 932 . 1 1 78 78 ARG HB3 H 1 1.74 0.02 . . . . . A 78 ARG HB3 . 17014 1 933 . 1 1 78 78 ARG HG2 H 1 1.69 0.02 . . . . . A 78 ARG HG2 . 17014 1 934 . 1 1 78 78 ARG HG3 H 1 1.59 0.02 . . . . . A 78 ARG HG3 . 17014 1 935 . 1 1 78 78 ARG HD2 H 1 3.11 0.02 . . . . . A 78 ARG HD2 . 17014 1 936 . 1 1 78 78 ARG HD3 H 1 3.07 0.02 . . . . . A 78 ARG HD3 . 17014 1 937 . 1 1 78 78 ARG C C 13 178.94 0.30 . . . . . A 78 ARG C . 17014 1 938 . 1 1 78 78 ARG CA C 13 60.91 0.30 . . . . . A 78 ARG CA . 17014 1 939 . 1 1 78 78 ARG CB C 13 30.39 0.30 . . . . . A 78 ARG CB . 17014 1 940 . 1 1 78 78 ARG CG C 13 28.75 0.30 . . . . . A 78 ARG CG . 17014 1 941 . 1 1 78 78 ARG CD C 13 44.09 0.30 . . . . . A 78 ARG CD . 17014 1 942 . 1 1 78 78 ARG N N 15 115.89 0.30 . . . . . A 78 ARG N . 17014 1 943 . 1 1 79 79 LYS H H 1 7.41 0.02 . . . . . A 79 LYS H . 17014 1 944 . 1 1 79 79 LYS HA H 1 4.06 0.02 . . . . . A 79 LYS HA . 17014 1 945 . 1 1 79 79 LYS HB2 H 1 1.97 0.02 . . . . . A 79 LYS HB2 . 17014 1 946 . 1 1 79 79 LYS HB3 H 1 1.97 0.02 . . . . . A 79 LYS HB3 . 17014 1 947 . 1 1 79 79 LYS HG2 H 1 1.53 0.02 . . . . . A 79 LYS HG2 . 17014 1 948 . 1 1 79 79 LYS HG3 H 1 1.42 0.02 . . . . . A 79 LYS HG3 . 17014 1 949 . 1 1 79 79 LYS HD2 H 1 1.70 0.02 . . . . . A 79 LYS HD2 . 17014 1 950 . 1 1 79 79 LYS HD3 H 1 1.70 0.02 . . . . . A 79 LYS HD3 . 17014 1 951 . 1 1 79 79 LYS C C 13 180.19 0.30 . . . . . A 79 LYS C . 17014 1 952 . 1 1 79 79 LYS CA C 13 59.17 0.30 . . . . . A 79 LYS CA . 17014 1 953 . 1 1 79 79 LYS CB C 13 32.40 0.02 . . . . . A 79 LYS CB . 17014 1 954 . 1 1 79 79 LYS CG C 13 25.95 0.30 . . . . . A 79 LYS CG . 17014 1 955 . 1 1 79 79 LYS CD C 13 29.39 0.30 . . . . . A 79 LYS CD . 17014 1 956 . 1 1 79 79 LYS N N 15 117.34 0.30 . . . . . A 79 LYS N . 17014 1 957 . 1 1 80 80 LYS H H 1 8.37 0.02 . . . . . A 80 LYS H . 17014 1 958 . 1 1 80 80 LYS HA H 1 4.02 0.02 . . . . . A 80 LYS HA . 17014 1 959 . 1 1 80 80 LYS HB2 H 1 1.75 0.02 . . . . . A 80 LYS HB2 . 17014 1 960 . 1 1 80 80 LYS HB3 H 1 1.66 0.02 . . . . . A 80 LYS HB3 . 17014 1 961 . 1 1 80 80 LYS C C 13 178.00 0.30 . . . . . A 80 LYS C . 17014 1 962 . 1 1 80 80 LYS CA C 13 59.61 0.30 . . . . . A 80 LYS CA . 17014 1 963 . 1 1 80 80 LYS CB C 13 32.91 0.30 . . . . . A 80 LYS CB . 17014 1 964 . 1 1 80 80 LYS N N 15 119.42 0.30 . . . . . A 80 LYS N . 17014 1 965 . 1 1 81 81 LEU H H 1 7.76 0.02 . . . . . A 81 LEU H . 17014 1 966 . 1 1 81 81 LEU HA H 1 4.23 0.02 . . . . . A 81 LEU HA . 17014 1 967 . 1 1 81 81 LEU HB2 H 1 1.67 0.02 . . . . . A 81 LEU HB2 . 17014 1 968 . 1 1 81 81 LEU HB3 H 1 1.53 0.02 . . . . . A 81 LEU HB3 . 17014 1 969 . 1 1 81 81 LEU HG H 1 1.90 0.02 . . . . . A 81 LEU HG . 17014 1 970 . 1 1 81 81 LEU HD11 H 1 0.79 0.02 . . . . . A 81 LEU HD11 . 17014 1 971 . 1 1 81 81 LEU HD12 H 1 0.79 0.02 . . . . . A 81 LEU HD12 . 17014 1 972 . 1 1 81 81 LEU HD13 H 1 0.79 0.02 . . . . . A 81 LEU HD13 . 17014 1 973 . 1 1 81 81 LEU HD21 H 1 0.81 0.02 . . . . . A 81 LEU HD21 . 17014 1 974 . 1 1 81 81 LEU HD22 H 1 0.81 0.02 . . . . . A 81 LEU HD22 . 17014 1 975 . 1 1 81 81 LEU HD23 H 1 0.81 0.02 . . . . . A 81 LEU HD23 . 17014 1 976 . 1 1 81 81 LEU C C 13 177.96 0.30 . . . . . A 81 LEU C . 17014 1 977 . 1 1 81 81 LEU CA C 13 54.72 0.30 . . . . . A 81 LEU CA . 17014 1 978 . 1 1 81 81 LEU CB C 13 41.99 0.30 . . . . . A 81 LEU CB . 17014 1 979 . 1 1 81 81 LEU CG C 13 26.69 0.30 . . . . . A 81 LEU CG . 17014 1 980 . 1 1 81 81 LEU CD1 C 13 25.61 0.30 . . . . . A 81 LEU CD1 . 17014 1 981 . 1 1 81 81 LEU CD2 C 13 22.32 0.30 . . . . . A 81 LEU CD2 . 17014 1 982 . 1 1 81 81 LEU N N 15 114.41 0.30 . . . . . A 81 LEU N . 17014 1 983 . 1 1 82 82 GLY H H 1 7.67 0.02 . . . . . A 82 GLY H . 17014 1 984 . 1 1 82 82 GLY HA2 H 1 4.02 0.02 . . . . . A 82 GLY HA2 . 17014 1 985 . 1 1 82 82 GLY HA3 H 1 3.83 0.02 . . . . . A 82 GLY HA3 . 17014 1 986 . 1 1 82 82 GLY C C 13 177.19 0.30 . . . . . A 82 GLY C . 17014 1 987 . 1 1 82 82 GLY CA C 13 46.89 0.30 . . . . . A 82 GLY CA . 17014 1 988 . 1 1 82 82 GLY N N 15 109.70 0.30 . . . . . A 82 GLY N . 17014 1 989 . 1 1 83 83 ALA H H 1 9.56 0.02 . . . . . A 83 ALA H . 17014 1 990 . 1 1 83 83 ALA HA H 1 4.15 0.02 . . . . . A 83 ALA HA . 17014 1 991 . 1 1 83 83 ALA HB1 H 1 1.39 0.02 . . . . . A 83 ALA HB1 . 17014 1 992 . 1 1 83 83 ALA HB2 H 1 1.39 0.02 . . . . . A 83 ALA HB2 . 17014 1 993 . 1 1 83 83 ALA HB3 H 1 1.39 0.02 . . . . . A 83 ALA HB3 . 17014 1 994 . 1 1 83 83 ALA C C 13 179.42 0.30 . . . . . A 83 ALA C . 17014 1 995 . 1 1 83 83 ALA CA C 13 54.78 0.30 . . . . . A 83 ALA CA . 17014 1 996 . 1 1 83 83 ALA CB C 13 18.20 0.30 . . . . . A 83 ALA CB . 17014 1 997 . 1 1 83 83 ALA N N 15 132.17 0.30 . . . . . A 83 ALA N . 17014 1 998 . 1 1 84 84 TYR H H 1 8.13 0.02 . . . . . A 84 TYR H . 17014 1 999 . 1 1 84 84 TYR HA H 1 4.25 0.02 . . . . . A 84 TYR HA . 17014 1 1000 . 1 1 84 84 TYR HB2 H 1 3.22 0.02 . . . . . A 84 TYR HB2 . 17014 1 1001 . 1 1 84 84 TYR HB3 H 1 3.22 0.02 . . . . . A 84 TYR HB3 . 17014 1 1002 . 1 1 84 84 TYR C C 13 177.00 0.30 . . . . . A 84 TYR C . 17014 1 1003 . 1 1 84 84 TYR CA C 13 60.00 0.30 . . . . . A 84 TYR CA . 17014 1 1004 . 1 1 84 84 TYR CB C 13 38.45 0.30 . . . . . A 84 TYR CB . 17014 1 1005 . 1 1 84 84 TYR N N 15 115.07 0.30 . . . . . A 84 TYR N . 17014 1 1006 . 1 1 85 85 GLY H H 1 8.34 0.02 . . . . . A 85 GLY H . 17014 1 1007 . 1 1 85 85 GLY HA2 H 1 4.14 0.02 . . . . . A 85 GLY HA2 . 17014 1 1008 . 1 1 85 85 GLY HA3 H 1 3.66 0.02 . . . . . A 85 GLY HA3 . 17014 1 1009 . 1 1 85 85 GLY C C 13 175.13 0.30 . . . . . A 85 GLY C . 17014 1 1010 . 1 1 85 85 GLY CA C 13 47.86 0.30 . . . . . A 85 GLY CA . 17014 1 1011 . 1 1 85 85 GLY N N 15 108.33 0.30 . . . . . A 85 GLY N . 17014 1 1012 . 1 1 86 86 SER H H 1 7.49 0.02 . . . . . A 86 SER H . 17014 1 1013 . 1 1 86 86 SER HA H 1 4.17 0.02 . . . . . A 86 SER HA . 17014 1 1014 . 1 1 86 86 SER HB2 H 1 3.93 0.02 . . . . . A 86 SER HB2 . 17014 1 1015 . 1 1 86 86 SER HB3 H 1 3.86 0.02 . . . . . A 86 SER HB3 . 17014 1 1016 . 1 1 86 86 SER C C 13 175.09 0.30 . . . . . A 86 SER C . 17014 1 1017 . 1 1 86 86 SER CA C 13 59.77 0.30 . . . . . A 86 SER CA . 17014 1 1018 . 1 1 86 86 SER CB C 13 62.81 0.30 . . . . . A 86 SER CB . 17014 1 1019 . 1 1 86 86 SER N N 15 112.97 0.30 . . . . . A 86 SER N . 17014 1 1020 . 1 1 87 87 ARG H H 1 7.31 0.02 . . . . . A 87 ARG H . 17014 1 1021 . 1 1 87 87 ARG HA H 1 3.87 0.02 . . . . . A 87 ARG HA . 17014 1 1022 . 1 1 87 87 ARG HB2 H 1 1.24 0.02 . . . . . A 87 ARG HB2 . 17014 1 1023 . 1 1 87 87 ARG HB3 H 1 1.19 0.02 . . . . . A 87 ARG HB3 . 17014 1 1024 . 1 1 87 87 ARG HG2 H 1 1.55 0.02 . . . . . A 87 ARG HG2 . 17014 1 1025 . 1 1 87 87 ARG HG3 H 1 1.50 0.02 . . . . . A 87 ARG HG3 . 17014 1 1026 . 1 1 87 87 ARG HD2 H 1 2.92 0.02 . . . . . A 87 ARG HD2 . 17014 1 1027 . 1 1 87 87 ARG HD3 H 1 2.92 0.02 . . . . . A 87 ARG HD3 . 17014 1 1028 . 1 1 87 87 ARG C C 13 175.56 0.30 . . . . . A 87 ARG C . 17014 1 1029 . 1 1 87 87 ARG CA C 13 56.15 0.30 . . . . . A 87 ARG CA . 17014 1 1030 . 1 1 87 87 ARG CB C 13 29.28 0.30 . . . . . A 87 ARG CB . 17014 1 1031 . 1 1 87 87 ARG CG C 13 28.16 0.30 . . . . . A 87 ARG CG . 17014 1 1032 . 1 1 87 87 ARG CD C 13 42.15 0.30 . . . . . A 87 ARG CD . 17014 1 1033 . 1 1 87 87 ARG N N 15 118.88 0.30 . . . . . A 87 ARG N . 17014 1 1034 . 1 1 88 88 ILE H H 1 7.25 0.02 . . . . . A 88 ILE H . 17014 1 1035 . 1 1 88 88 ILE HA H 1 4.31 0.02 . . . . . A 88 ILE HA . 17014 1 1036 . 1 1 88 88 ILE HB H 1 1.85 0.02 . . . . . A 88 ILE HB . 17014 1 1037 . 1 1 88 88 ILE HG12 H 1 1.54 0.02 . . . . . A 88 ILE HG12 . 17014 1 1038 . 1 1 88 88 ILE HG13 H 1 0.75 0.02 . . . . . A 88 ILE HG13 . 17014 1 1039 . 1 1 88 88 ILE HG21 H 1 0.68 0.02 . . . . . A 88 ILE HG21 . 17014 1 1040 . 1 1 88 88 ILE HG22 H 1 0.68 0.02 . . . . . A 88 ILE HG22 . 17014 1 1041 . 1 1 88 88 ILE HG23 H 1 0.68 0.02 . . . . . A 88 ILE HG23 . 17014 1 1042 . 1 1 88 88 ILE HD11 H 1 0.70 0.02 . . . . . A 88 ILE HD11 . 17014 1 1043 . 1 1 88 88 ILE HD12 H 1 0.70 0.02 . . . . . A 88 ILE HD12 . 17014 1 1044 . 1 1 88 88 ILE HD13 H 1 0.70 0.02 . . . . . A 88 ILE HD13 . 17014 1 1045 . 1 1 88 88 ILE C C 13 175.18 0.30 . . . . . A 88 ILE C . 17014 1 1046 . 1 1 88 88 ILE CA C 13 61.45 0.30 . . . . . A 88 ILE CA . 17014 1 1047 . 1 1 88 88 ILE CB C 13 36.82 0.30 . . . . . A 88 ILE CB . 17014 1 1048 . 1 1 88 88 ILE CG1 C 13 28.45 0.30 . . . . . A 88 ILE CG1 . 17014 1 1049 . 1 1 88 88 ILE CG2 C 13 17.40 0.30 . . . . . A 88 ILE CG2 . 17014 1 1050 . 1 1 88 88 ILE CD1 C 13 13.83 0.30 . . . . . A 88 ILE CD1 . 17014 1 1051 . 1 1 88 88 ILE N N 15 116.85 0.30 . . . . . A 88 ILE N . 17014 1 1052 . 1 1 89 89 VAL H H 1 9.65 0.02 . . . . . A 89 VAL H . 17014 1 1053 . 1 1 89 89 VAL HA H 1 4.17 0.02 . . . . . A 89 VAL HA . 17014 1 1054 . 1 1 89 89 VAL HB H 1 1.92 0.02 . . . . . A 89 VAL HB . 17014 1 1055 . 1 1 89 89 VAL HG11 H 1 0.84 0.02 . . . . . A 89 VAL HG11 . 17014 1 1056 . 1 1 89 89 VAL HG12 H 1 0.84 0.02 . . . . . A 89 VAL HG12 . 17014 1 1057 . 1 1 89 89 VAL HG13 H 1 0.84 0.02 . . . . . A 89 VAL HG13 . 17014 1 1058 . 1 1 89 89 VAL HG21 H 1 0.80 0.02 . . . . . A 89 VAL HG21 . 17014 1 1059 . 1 1 89 89 VAL HG22 H 1 0.80 0.02 . . . . . A 89 VAL HG22 . 17014 1 1060 . 1 1 89 89 VAL HG23 H 1 0.80 0.02 . . . . . A 89 VAL HG23 . 17014 1 1061 . 1 1 89 89 VAL C C 13 175.53 0.30 . . . . . A 89 VAL C . 17014 1 1062 . 1 1 89 89 VAL CA C 13 61.78 0.30 . . . . . A 89 VAL CA . 17014 1 1063 . 1 1 89 89 VAL CB C 13 34.22 0.30 . . . . . A 89 VAL CB . 17014 1 1064 . 1 1 89 89 VAL CG1 C 13 21.19 0.30 . . . . . A 89 VAL CG1 . 17014 1 1065 . 1 1 89 89 VAL CG2 C 13 21.13 0.30 . . . . . A 89 VAL CG2 . 17014 1 1066 . 1 1 89 89 VAL N N 15 133.14 0.30 . . . . . A 89 VAL N . 17014 1 1067 . 1 1 90 90 THR H H 1 8.81 0.02 . . . . . A 90 THR H . 17014 1 1068 . 1 1 90 90 THR HA H 1 4.18 0.02 . . . . . A 90 THR HA . 17014 1 1069 . 1 1 90 90 THR HB H 1 4.03 0.02 . . . . . A 90 THR HB . 17014 1 1070 . 1 1 90 90 THR HG21 H 1 1.01 0.02 . . . . . A 90 THR HG21 . 17014 1 1071 . 1 1 90 90 THR HG22 H 1 1.01 0.02 . . . . . A 90 THR HG22 . 17014 1 1072 . 1 1 90 90 THR HG23 H 1 1.01 0.02 . . . . . A 90 THR HG23 . 17014 1 1073 . 1 1 90 90 THR C C 13 173.57 0.30 . . . . . A 90 THR C . 17014 1 1074 . 1 1 90 90 THR CA C 13 62.35 0.30 . . . . . A 90 THR CA . 17014 1 1075 . 1 1 90 90 THR CB C 13 69.80 0.30 . . . . . A 90 THR CB . 17014 1 1076 . 1 1 90 90 THR CG2 C 13 21.88 0.30 . . . . . A 90 THR CG2 . 17014 1 1077 . 1 1 90 90 THR N N 15 122.79 0.30 . . . . . A 90 THR N . 17014 1 1078 . 1 1 91 91 LEU H H 1 8.25 0.02 . . . . . A 91 LEU H . 17014 1 1079 . 1 1 91 91 LEU HA H 1 4.59 0.02 . . . . . A 91 LEU HA . 17014 1 1080 . 1 1 91 91 LEU HB2 H 1 1.36 0.02 . . . . . A 91 LEU HB2 . 17014 1 1081 . 1 1 91 91 LEU HB3 H 1 1.11 0.02 . . . . . A 91 LEU HB3 . 17014 1 1082 . 1 1 91 91 LEU HG H 1 1.38 0.02 . . . . . A 91 LEU HG . 17014 1 1083 . 1 1 91 91 LEU HD11 H 1 0.77 0.02 . . . . . A 91 LEU HD11 . 17014 1 1084 . 1 1 91 91 LEU HD12 H 1 0.77 0.02 . . . . . A 91 LEU HD12 . 17014 1 1085 . 1 1 91 91 LEU HD13 H 1 0.77 0.02 . . . . . A 91 LEU HD13 . 17014 1 1086 . 1 1 91 91 LEU HD21 H 1 0.73 0.02 . . . . . A 91 LEU HD21 . 17014 1 1087 . 1 1 91 91 LEU HD22 H 1 0.73 0.02 . . . . . A 91 LEU HD22 . 17014 1 1088 . 1 1 91 91 LEU HD23 H 1 0.73 0.02 . . . . . A 91 LEU HD23 . 17014 1 1089 . 1 1 91 91 LEU C C 13 175.41 0.30 . . . . . A 91 LEU C . 17014 1 1090 . 1 1 91 91 LEU CA C 13 53.47 0.30 . . . . . A 91 LEU CA . 17014 1 1091 . 1 1 91 91 LEU CB C 13 40.81 0.30 . . . . . A 91 LEU CB . 17014 1 1092 . 1 1 91 91 LEU CG C 13 27.69 0.30 . . . . . A 91 LEU CG . 17014 1 1093 . 1 1 91 91 LEU CD1 C 13 24.88 0.30 . . . . . A 91 LEU CD1 . 17014 1 1094 . 1 1 91 91 LEU CD2 C 13 24.88 0.30 . . . . . A 91 LEU CD2 . 17014 1 1095 . 1 1 91 91 LEU N N 15 130.20 0.30 . . . . . A 91 LEU N . 17014 1 1096 . 1 1 93 93 GLY HA2 H 1 4.09 0.02 . . . . . A 93 GLY HA2 . 17014 1 1097 . 1 1 93 93 GLY HA3 H 1 3.79 0.02 . . . . . A 93 GLY HA3 . 17014 1 1098 . 1 1 93 93 GLY C C 13 174.12 0.02 . . . . . A 93 GLY C . 17014 1 1099 . 1 1 93 93 GLY CA C 13 45.53 0.02 . . . . . A 93 GLY CA . 17014 1 1100 . 1 1 94 94 VAL H H 1 8.16 0.02 . . . . . A 94 VAL H . 17014 1 1101 . 1 1 94 94 VAL HA H 1 4.25 0.02 . . . . . A 94 VAL HA . 17014 1 1102 . 1 1 94 94 VAL HB H 1 1.74 0.02 . . . . . A 94 VAL HB . 17014 1 1103 . 1 1 94 94 VAL HG11 H 1 0.86 0.02 . . . . . A 94 VAL HG11 . 17014 1 1104 . 1 1 94 94 VAL HG12 H 1 0.86 0.02 . . . . . A 94 VAL HG12 . 17014 1 1105 . 1 1 94 94 VAL HG13 H 1 0.86 0.02 . . . . . A 94 VAL HG13 . 17014 1 1106 . 1 1 94 94 VAL HG21 H 1 0.79 0.02 . . . . . A 94 VAL HG21 . 17014 1 1107 . 1 1 94 94 VAL HG22 H 1 0.79 0.02 . . . . . A 94 VAL HG22 . 17014 1 1108 . 1 1 94 94 VAL HG23 H 1 0.79 0.02 . . . . . A 94 VAL HG23 . 17014 1 1109 . 1 1 94 94 VAL C C 13 176.71 0.30 . . . . . A 94 VAL C . 17014 1 1110 . 1 1 94 94 VAL CA C 13 63.80 0.30 . . . . . A 94 VAL CA . 17014 1 1111 . 1 1 94 94 VAL CB C 13 34.82 0.30 . . . . . A 94 VAL CB . 17014 1 1112 . 1 1 94 94 VAL CG1 C 13 21.72 0.30 . . . . . A 94 VAL CG1 . 17014 1 1113 . 1 1 94 94 VAL CG2 C 13 20.30 0.30 . . . . . A 94 VAL CG2 . 17014 1 1114 . 1 1 94 94 VAL N N 15 118.23 0.30 . . . . . A 94 VAL N . 17014 1 1115 . 1 1 95 95 GLY H H 1 8.03 0.02 . . . . . A 95 GLY H . 17014 1 1116 . 1 1 95 95 GLY HA2 H 1 4.51 0.02 . . . . . A 95 GLY HA2 . 17014 1 1117 . 1 1 95 95 GLY HA3 H 1 3.58 0.02 . . . . . A 95 GLY HA3 . 17014 1 1118 . 1 1 95 95 GLY C C 13 169.77 0.30 . . . . . A 95 GLY C . 17014 1 1119 . 1 1 95 95 GLY CA C 13 46.52 0.30 . . . . . A 95 GLY CA . 17014 1 1120 . 1 1 95 95 GLY N N 15 106.76 0.30 . . . . . A 95 GLY N . 17014 1 1121 . 1 1 96 96 TYR H H 1 8.72 0.02 . . . . . A 96 TYR H . 17014 1 1122 . 1 1 96 96 TYR HA H 1 5.45 0.02 . . . . . A 96 TYR HA . 17014 1 1123 . 1 1 96 96 TYR HB2 H 1 2.79 0.02 . . . . . A 96 TYR HB2 . 17014 1 1124 . 1 1 96 96 TYR HB3 H 1 2.30 0.02 . . . . . A 96 TYR HB3 . 17014 1 1125 . 1 1 96 96 TYR C C 13 173.00 0.30 . . . . . A 96 TYR C . 17014 1 1126 . 1 1 96 96 TYR CA C 13 56.34 0.30 . . . . . A 96 TYR CA . 17014 1 1127 . 1 1 96 96 TYR CB C 13 44.16 0.30 . . . . . A 96 TYR CB . 17014 1 1128 . 1 1 96 96 TYR N N 15 119.83 0.30 . . . . . A 96 TYR N . 17014 1 1129 . 1 1 97 97 LEU H H 1 8.89 0.02 . . . . . A 97 LEU H . 17014 1 1130 . 1 1 97 97 LEU HA H 1 4.90 0.02 . . . . . A 97 LEU HA . 17014 1 1131 . 1 1 97 97 LEU HB2 H 1 1.49 0.02 . . . . . A 97 LEU HB2 . 17014 1 1132 . 1 1 97 97 LEU HB3 H 1 1.28 0.02 . . . . . A 97 LEU HB3 . 17014 1 1133 . 1 1 97 97 LEU HG H 1 1.66 0.02 . . . . . A 97 LEU HG . 17014 1 1134 . 1 1 97 97 LEU HD11 H 1 0.58 0.02 . . . . . A 97 LEU HD11 . 17014 1 1135 . 1 1 97 97 LEU HD12 H 1 0.58 0.02 . . . . . A 97 LEU HD12 . 17014 1 1136 . 1 1 97 97 LEU HD13 H 1 0.58 0.02 . . . . . A 97 LEU HD13 . 17014 1 1137 . 1 1 97 97 LEU HD21 H 1 0.59 0.02 . . . . . A 97 LEU HD21 . 17014 1 1138 . 1 1 97 97 LEU HD22 H 1 0.59 0.02 . . . . . A 97 LEU HD22 . 17014 1 1139 . 1 1 97 97 LEU HD23 H 1 0.59 0.02 . . . . . A 97 LEU HD23 . 17014 1 1140 . 1 1 97 97 LEU C C 13 173.54 0.30 . . . . . A 97 LEU C . 17014 1 1141 . 1 1 97 97 LEU CA C 13 54.82 0.30 . . . . . A 97 LEU CA . 17014 1 1142 . 1 1 97 97 LEU CB C 13 46.93 0.30 . . . . . A 97 LEU CB . 17014 1 1143 . 1 1 97 97 LEU CG C 13 27.69 0.30 . . . . . A 97 LEU CG . 17014 1 1144 . 1 1 97 97 LEU CD1 C 13 25.87 0.30 . . . . . A 97 LEU CD1 . 17014 1 1145 . 1 1 97 97 LEU CD2 C 13 26.26 0.30 . . . . . A 97 LEU CD2 . 17014 1 1146 . 1 1 97 97 LEU N N 15 119.70 0.30 . . . . . A 97 LEU N . 17014 1 1147 . 1 1 98 98 PHE H H 1 9.80 0.02 . . . . . A 98 PHE H . 17014 1 1148 . 1 1 98 98 PHE HA H 1 5.07 0.02 . . . . . A 98 PHE HA . 17014 1 1149 . 1 1 98 98 PHE HB2 H 1 3.14 0.02 . . . . . A 98 PHE HB2 . 17014 1 1150 . 1 1 98 98 PHE HB3 H 1 2.43 0.02 . . . . . A 98 PHE HB3 . 17014 1 1151 . 1 1 98 98 PHE C C 13 174.81 0.30 . . . . . A 98 PHE C . 17014 1 1152 . 1 1 98 98 PHE CA C 13 56.23 0.30 . . . . . A 98 PHE CA . 17014 1 1153 . 1 1 98 98 PHE CB C 13 41.10 0.30 . . . . . A 98 PHE CB . 17014 1 1154 . 1 1 98 98 PHE N N 15 126.47 0.30 . . . . . A 98 PHE N . 17014 1 1155 . 1 1 99 99 SER H H 1 9.01 0.02 . . . . . A 99 SER H . 17014 1 1156 . 1 1 99 99 SER HA H 1 4.27 0.02 . . . . . A 99 SER HA . 17014 1 1157 . 1 1 99 99 SER HB2 H 1 3.74 0.02 . . . . . A 99 SER HB2 . 17014 1 1158 . 1 1 99 99 SER HB3 H 1 3.68 0.02 . . . . . A 99 SER HB3 . 17014 1 1159 . 1 1 99 99 SER C C 13 173.88 0.30 . . . . . A 99 SER C . 17014 1 1160 . 1 1 99 99 SER CA C 13 58.31 0.30 . . . . . A 99 SER CA . 17014 1 1161 . 1 1 99 99 SER CB C 13 64.33 0.30 . . . . . A 99 SER CB . 17014 1 1162 . 1 1 99 99 SER N N 15 124.28 0.30 . . . . . A 99 SER N . 17014 1 1163 . 1 1 100 100 ASP H H 1 8.80 0.02 . . . . . A 100 ASP H . 17014 1 1164 . 1 1 100 100 ASP HA H 1 4.71 0.02 . . . . . A 100 ASP HA . 17014 1 1165 . 1 1 100 100 ASP HB2 H 1 2.72 0.02 . . . . . A 100 ASP HB2 . 17014 1 1166 . 1 1 100 100 ASP HB3 H 1 2.66 0.02 . . . . . A 100 ASP HB3 . 17014 1 1167 . 1 1 100 100 ASP C C 13 176.11 0.30 . . . . . A 100 ASP C . 17014 1 1168 . 1 1 100 100 ASP CA C 13 53.91 0.30 . . . . . A 100 ASP CA . 17014 1 1169 . 1 1 100 100 ASP CB C 13 42.19 0.30 . . . . . A 100 ASP CB . 17014 1 1170 . 1 1 100 100 ASP N N 15 123.59 0.30 . . . . . A 100 ASP N . 17014 1 1171 . 1 1 101 101 ASP H H 1 8.40 0.02 . . . . . A 101 ASP H . 17014 1 1172 . 1 1 101 101 ASP HA H 1 4.55 0.02 . . . . . A 101 ASP HA . 17014 1 1173 . 1 1 101 101 ASP HB2 H 1 2.72 0.02 . . . . . A 101 ASP HB2 . 17014 1 1174 . 1 1 101 101 ASP HB3 H 1 2.66 0.02 . . . . . A 101 ASP HB3 . 17014 1 1175 . 1 1 101 101 ASP C C 13 176.96 0.30 . . . . . A 101 ASP C . 17014 1 1176 . 1 1 101 101 ASP CA C 13 54.93 0.30 . . . . . A 101 ASP CA . 17014 1 1177 . 1 1 101 101 ASP CB C 13 41.07 0.30 . . . . . A 101 ASP CB . 17014 1 1178 . 1 1 101 101 ASP N N 15 120.94 0.30 . . . . . A 101 ASP N . 17014 1 1179 . 1 1 102 102 GLY H H 1 8.50 0.02 . . . . . A 102 GLY H . 17014 1 1180 . 1 1 102 102 GLY HA2 H 1 3.91 0.02 . . . . . A 102 GLY HA2 . 17014 1 1181 . 1 1 102 102 GLY HA3 H 1 3.91 0.02 . . . . . A 102 GLY HA3 . 17014 1 1182 . 1 1 102 102 GLY C C 13 174.17 0.30 . . . . . A 102 GLY C . 17014 1 1183 . 1 1 102 102 GLY CA C 13 45.73 0.30 . . . . . A 102 GLY CA . 17014 1 1184 . 1 1 102 102 GLY N N 15 109.10 0.30 . . . . . A 102 GLY N . 17014 1 1185 . 1 1 103 103 ASP H H 1 8.20 0.02 . . . . . A 103 ASP H . 17014 1 1186 . 1 1 103 103 ASP HA H 1 4.55 0.02 . . . . . A 103 ASP HA . 17014 1 1187 . 1 1 103 103 ASP HB2 H 1 2.72 0.02 . . . . . A 103 ASP HB2 . 17014 1 1188 . 1 1 103 103 ASP HB3 H 1 2.66 0.02 . . . . . A 103 ASP HB3 . 17014 1 1189 . 1 1 103 103 ASP C C 13 176.64 0.30 . . . . . A 103 ASP C . 17014 1 1190 . 1 1 103 103 ASP CA C 13 54.58 0.30 . . . . . A 103 ASP CA . 17014 1 1191 . 1 1 103 103 ASP CB C 13 41.05 0.30 . . . . . A 103 ASP CB . 17014 1 1192 . 1 1 103 103 ASP N N 15 120.43 0.30 . . . . . A 103 ASP N . 17014 1 1193 . 1 1 104 104 LYS H H 1 8.21 0.02 . . . . . A 104 LYS H . 17014 1 1194 . 1 1 104 104 LYS HA H 1 4.22 0.02 . . . . . A 104 LYS HA . 17014 1 1195 . 1 1 104 104 LYS HB2 H 1 1.73 0.02 . . . . . A 104 LYS HB2 . 17014 1 1196 . 1 1 104 104 LYS HB3 H 1 1.36 0.02 . . . . . A 104 LYS HB3 . 17014 1 1197 . 1 1 104 104 LYS C C 13 176.75 0.30 . . . . . A 104 LYS C . 17014 1 1198 . 1 1 104 104 LYS CA C 13 56.66 0.30 . . . . . A 104 LYS CA . 17014 1 1199 . 1 1 104 104 LYS CB C 13 32.82 0.30 . . . . . A 104 LYS CB . 17014 1 1200 . 1 1 104 104 LYS N N 15 121.75 0.30 . . . . . A 104 LYS N . 17014 1 1201 . 1 1 105 105 LYS H H 1 8.24 0.02 . . . . . A 105 LYS H . 17014 1 1202 . 1 1 105 105 LYS HA H 1 4.14 0.02 . . . . . A 105 LYS HA . 17014 1 1203 . 1 1 105 105 LYS HB2 H 1 1.84 0.02 . . . . . A 105 LYS HB2 . 17014 1 1204 . 1 1 105 105 LYS HB3 H 1 1.62 0.02 . . . . . A 105 LYS HB3 . 17014 1 1205 . 1 1 105 105 LYS C C 13 176.53 0.30 . . . . . A 105 LYS C . 17014 1 1206 . 1 1 105 105 LYS CA C 13 56.64 0.30 . . . . . A 105 LYS CA . 17014 1 1207 . 1 1 105 105 LYS CB C 13 32.82 0.30 . . . . . A 105 LYS CB . 17014 1 1208 . 1 1 105 105 LYS N N 15 121.53 0.30 . . . . . A 105 LYS N . 17014 1 1209 . 1 1 106 106 PHE H H 1 8.19 0.02 . . . . . A 106 PHE H . 17014 1 1210 . 1 1 106 106 PHE HA H 1 4.64 0.02 . . . . . A 106 PHE HA . 17014 1 1211 . 1 1 106 106 PHE HB2 H 1 3.14 0.02 . . . . . A 106 PHE HB2 . 17014 1 1212 . 1 1 106 106 PHE HB3 H 1 2.97 0.02 . . . . . A 106 PHE HB3 . 17014 1 1213 . 1 1 106 106 PHE C C 13 175.82 0.30 . . . . . A 106 PHE C . 17014 1 1214 . 1 1 106 106 PHE CA C 13 57.84 0.30 . . . . . A 106 PHE CA . 17014 1 1215 . 1 1 106 106 PHE CB C 13 39.47 0.30 . . . . . A 106 PHE CB . 17014 1 1216 . 1 1 106 106 PHE N N 15 120.45 0.30 . . . . . A 106 PHE N . 17014 1 1217 . 1 1 107 107 SER H H 1 8.20 0.02 . . . . . A 107 SER H . 17014 1 1218 . 1 1 107 107 SER HA H 1 4.40 0.02 . . . . . A 107 SER HA . 17014 1 1219 . 1 1 107 107 SER HB2 H 1 3.85 0.02 . . . . . A 107 SER HB2 . 17014 1 1220 . 1 1 107 107 SER HB3 H 1 3.81 0.02 . . . . . A 107 SER HB3 . 17014 1 1221 . 1 1 107 107 SER C C 13 174.44 0.30 . . . . . A 107 SER C . 17014 1 1222 . 1 1 107 107 SER CA C 13 58.25 0.30 . . . . . A 107 SER CA . 17014 1 1223 . 1 1 107 107 SER CB C 13 64.04 0.30 . . . . . A 107 SER CB . 17014 1 1224 . 1 1 107 107 SER N N 15 117.19 0.30 . . . . . A 107 SER N . 17014 1 1225 . 1 1 108 108 GLN H H 1 8.41 0.02 . . . . . A 108 GLN H . 17014 1 1226 . 1 1 108 108 GLN HA H 1 4.35 0.02 . . . . . A 108 GLN HA . 17014 1 1227 . 1 1 108 108 GLN HB2 H 1 2.16 0.02 . . . . . A 108 GLN HB2 . 17014 1 1228 . 1 1 108 108 GLN HB3 H 1 2.03 0.02 . . . . . A 108 GLN HB3 . 17014 1 1229 . 1 1 108 108 GLN C C 13 177.28 0.30 . . . . . A 108 GLN C . 17014 1 1230 . 1 1 108 108 GLN CA C 13 55.99 0.30 . . . . . A 108 GLN CA . 17014 1 1231 . 1 1 108 108 GLN CB C 13 29.64 0.30 . . . . . A 108 GLN CB . 17014 1 1232 . 1 1 108 108 GLN N N 15 122.25 0.30 . . . . . A 108 GLN N . 17014 1 1233 . 1 1 109 109 GLN H H 1 8.36 0.02 . . . . . A 109 GLN H . 17014 1 1234 . 1 1 109 109 GLN HA H 1 4.31 0.02 . . . . . A 109 GLN HA . 17014 1 1235 . 1 1 109 109 GLN HB2 H 1 2.14 0.02 . . . . . A 109 GLN HB2 . 17014 1 1236 . 1 1 109 109 GLN HB3 H 1 2.00 0.02 . . . . . A 109 GLN HB3 . 17014 1 1237 . 1 1 109 109 GLN C C 13 175.75 0.30 . . . . . A 109 GLN C . 17014 1 1238 . 1 1 109 109 GLN CA C 13 56.21 0.30 . . . . . A 109 GLN CA . 17014 1 1239 . 1 1 109 109 GLN CB C 13 29.40 0.30 . . . . . A 109 GLN CB . 17014 1 1240 . 1 1 109 109 GLN N N 15 120.95 0.30 . . . . . A 109 GLN N . 17014 1 1241 . 1 1 110 110 ASP H H 1 8.34 0.02 . . . . . A 110 ASP H . 17014 1 1242 . 1 1 110 110 ASP HA H 1 4.61 0.02 . . . . . A 110 ASP HA . 17014 1 1243 . 1 1 110 110 ASP HB2 H 1 2.72 0.02 . . . . . A 110 ASP HB2 . 17014 1 1244 . 1 1 110 110 ASP HB3 H 1 2.66 0.02 . . . . . A 110 ASP HB3 . 17014 1 1245 . 1 1 110 110 ASP C C 13 176.74 0.30 . . . . . A 110 ASP C . 17014 1 1246 . 1 1 110 110 ASP CA C 13 54.60 0.30 . . . . . A 110 ASP CA . 17014 1 1247 . 1 1 110 110 ASP CB C 13 41.04 0.30 . . . . . A 110 ASP CB . 17014 1 1248 . 1 1 110 110 ASP N N 15 121.54 0.30 . . . . . A 110 ASP N . 17014 1 1249 . 1 1 111 111 THR H H 1 8.11 0.02 . . . . . A 111 THR H . 17014 1 1250 . 1 1 111 111 THR HA H 1 4.26 0.02 . . . . . A 111 THR HA . 17014 1 1251 . 1 1 111 111 THR HB H 1 4.16 0.02 . . . . . A 111 THR HB . 17014 1 1252 . 1 1 111 111 THR HG21 H 1 1.19 0.02 . . . . . A 111 THR HG21 . 17014 1 1253 . 1 1 111 111 THR HG22 H 1 1.19 0.02 . . . . . A 111 THR HG22 . 17014 1 1254 . 1 1 111 111 THR HG23 H 1 1.19 0.02 . . . . . A 111 THR HG23 . 17014 1 1255 . 1 1 111 111 THR C C 13 174.87 0.30 . . . . . A 111 THR C . 17014 1 1256 . 1 1 111 111 THR CA C 13 62.50 0.30 . . . . . A 111 THR CA . 17014 1 1257 . 1 1 111 111 THR CB C 13 69.81 0.30 . . . . . A 111 THR CB . 17014 1 1258 . 1 1 111 111 THR CG2 C 13 21.55 0.30 . . . . . A 111 THR CG2 . 17014 1 1259 . 1 1 111 111 THR N N 15 115.14 0.30 . . . . . A 111 THR N . 17014 1 1260 . 1 1 112 112 LYS H H 1 8.30 0.02 . . . . . A 112 LYS H . 17014 1 1261 . 1 1 112 112 LYS HA H 1 4.25 0.02 . . . . . A 112 LYS HA . 17014 1 1262 . 1 1 112 112 LYS HB2 H 1 1.78 0.02 . . . . . A 112 LYS HB2 . 17014 1 1263 . 1 1 112 112 LYS HB3 H 1 1.78 0.02 . . . . . A 112 LYS HB3 . 17014 1 1264 . 1 1 112 112 LYS C C 13 176.76 0.30 . . . . . A 112 LYS C . 17014 1 1265 . 1 1 112 112 LYS CA C 13 56.81 0.30 . . . . . A 112 LYS CA . 17014 1 1266 . 1 1 112 112 LYS CB C 13 32.68 0.30 . . . . . A 112 LYS CB . 17014 1 1267 . 1 1 112 112 LYS N N 15 123.26 0.30 . . . . . A 112 LYS N . 17014 1 1268 . 1 1 113 113 LEU H H 1 8.12 0.02 . . . . . A 113 LEU H . 17014 1 1269 . 1 1 113 113 LEU HA H 1 4.27 0.02 . . . . . A 113 LEU HA . 17014 1 1270 . 1 1 113 113 LEU HB2 H 1 1.57 0.02 . . . . . A 113 LEU HB2 . 17014 1 1271 . 1 1 113 113 LEU HB3 H 1 1.57 0.02 . . . . . A 113 LEU HB3 . 17014 1 1272 . 1 1 113 113 LEU C C 13 177.44 0.30 . . . . . A 113 LEU C . 17014 1 1273 . 1 1 113 113 LEU CA C 13 55.33 0.30 . . . . . A 113 LEU CA . 17014 1 1274 . 1 1 113 113 LEU CB C 13 42.22 0.30 . . . . . A 113 LEU CB . 17014 1 1275 . 1 1 113 113 LEU N N 15 122.38 0.30 . . . . . A 113 LEU N . 17014 1 1276 . 1 1 114 114 SER H H 1 8.24 0.02 . . . . . A 114 SER H . 17014 1 1277 . 1 1 114 114 SER HA H 1 4.39 0.02 . . . . . A 114 SER HA . 17014 1 1278 . 1 1 114 114 SER HB2 H 1 3.87 0.02 . . . . . A 114 SER HB2 . 17014 1 1279 . 1 1 114 114 SER HB3 H 1 3.82 0.02 . . . . . A 114 SER HB3 . 17014 1 1280 . 1 1 114 114 SER C C 13 174.75 0.30 . . . . . A 114 SER C . 17014 1 1281 . 1 1 114 114 SER CA C 13 58.31 0.30 . . . . . A 114 SER CA . 17014 1 1282 . 1 1 114 114 SER CB C 13 63.61 0.30 . . . . . A 114 SER CB . 17014 1 1283 . 1 1 114 114 SER N N 15 116.50 0.30 . . . . . A 114 SER N . 17014 1 1284 . 1 1 115 115 LEU H H 1 8.24 0.02 . . . . . A 115 LEU H . 17014 1 1285 . 1 1 115 115 LEU HA H 1 4.26 0.02 . . . . . A 115 LEU HA . 17014 1 1286 . 1 1 115 115 LEU HB2 H 1 1.72 0.02 . . . . . A 115 LEU HB2 . 17014 1 1287 . 1 1 115 115 LEU HB3 H 1 1.56 0.02 . . . . . A 115 LEU HB3 . 17014 1 1288 . 1 1 115 115 LEU C C 13 177.51 0.30 . . . . . A 115 LEU C . 17014 1 1289 . 1 1 115 115 LEU CA C 13 55.45 0.30 . . . . . A 115 LEU CA . 17014 1 1290 . 1 1 115 115 LEU CB C 13 42.20 0.30 . . . . . A 115 LEU CB . 17014 1 1291 . 1 1 115 115 LEU N N 15 123.94 0.30 . . . . . A 115 LEU N . 17014 1 stop_ save_