data_16517 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16517 _Entry.Title ; Solution structure of an arsenate reductase (ArsC) related protein from Brucella melitensis. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target BrabA.00007.a. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-23 _Entry.Accession_date 2009-09-23 _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 Garry Buchko . W. . 16517 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' . 16517 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'arsenate reductase' . 16517 brucellosis . 16517 SSGCID . 16517 zoonotic . 16517 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16517 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 519 16517 '15N chemical shifts' 118 16517 '1H chemical shifts' 772 16517 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 4 . . 2013-08-08 2009-09-23 update BMRB 'update entry citation' 16517 3 . . 2010-06-03 2009-09-23 update BMRB 'edit assembly name' 16517 2 . . 2010-05-06 2009-09-23 update author 'update entry title' 16517 1 . . 2009-10-23 2009-09-23 original author 'original release' 16517 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID TargetDB BrabA.00007.a . 16517 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16517 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21904062 _Citation.Full_citation . _Citation.Title 'Solution structure of an arsenate reductase-related protein, YffB, from Brucella melitensis, the etiological agent responsible for brucellosis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun.' _Citation.Journal_name_full 'Acta crystallographica. Section F, Structural biology and crystallization communications' _Citation.Journal_volume 67 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1129 _Citation.Page_last 1136 _Citation.Year 2011 _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 Garry Buchko . W. . 16517 1 2 Stephen Hewitt . N. . 16517 1 3 Alberto Napuli . J. . 16517 1 4 Wesley 'Van Voorhis' . C. . 16517 1 5 Peter Myler . J. . 16517 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16517 _Assembly.ID 1 _Assembly.Name BR7 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 BR7 1 $BR7 A . yes native no no . . . 16517 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BR7 _Entity.Sf_category entity _Entity.Sf_framecode BR7 _Entity.Entry_ID 16517 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BR7 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSMSVTIYGIKNCDTMKK ARIWLEDHGIDYTFHDYKKE GLDAETLDRFLKTVPWEQLL NRAGTTFRKLPEDVRSNVDA ASARELMLAQPSMVKRPVLE RDGKLMVGFKPAQYEAYFKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'M5 is the first residue in the native sequence. The first four residues are left over a polyHis tag used to aid protein purification.' _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 120 _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 2KOK . "Solution Structure Of An Arsenate Reductase (Arsc) Related Protein From Brucella Melitensis. Seattle Structural Genomics Center" . . . . . 100.00 120 100.00 100.00 2.72e-83 . . . . 16517 1 2 no EMBL CAJ10355 . "Conserved hypothetical protein, ArsC related:Arsenate reductase and related [Brucella abortus 2308]" . . . . . 96.67 116 100.00 100.00 6.15e-80 . . . . 16517 1 3 no EMBL CDL75783 . "unnamed protein product [Brucella canis str. Oliveri]" . . . . . 96.67 116 99.14 99.14 3.06e-79 . . . . 16517 1 4 no GB AAL52738 . "arsenate reductase [Brucella melitensis bv. 1 str. 16M]" . . . . . 96.67 116 99.14 99.14 3.06e-79 . . . . 16517 1 5 no GB AAN29316 . "conserved hypothetical protein [Brucella suis 1330]" . . . . . 96.67 116 99.14 99.14 3.06e-79 . . . . 16517 1 6 no GB AAX73792 . "conserved hypothetical protein [Brucella abortus bv. 1 str. 9-941]" . . . . . 96.67 116 100.00 100.00 6.15e-80 . . . . 16517 1 7 no GB ABQ60828 . "conserved hypothetical protein [Brucella ovis ATCC 25840]" . . . . . 96.67 116 99.14 99.14 3.06e-79 . . . . 16517 1 8 no GB ABX61465 . "conserved hypothetical protein [Brucella canis ATCC 23365]" . . . . . 96.67 116 99.14 99.14 3.06e-79 . . . . 16517 1 9 no REF WP_002963533 . "MULTISPECIES: arsenate reductase [Brucella]" . . . . . 96.67 116 100.00 100.00 6.15e-80 . . . . 16517 1 10 no REF WP_004682989 . "MULTISPECIES: arsenate reductase [Brucella]" . . . . . 96.67 116 99.14 99.14 3.06e-79 . . . . 16517 1 11 no REF WP_006079395 . "arsenate reductase [Brucella abortus]" . . . . . 96.67 116 99.14 100.00 1.20e-79 . . . . 16517 1 12 no REF WP_006173775 . "MULTISPECIES: arsenate reductase [Brucella]" . . . . . 96.67 116 98.28 98.28 2.90e-78 . . . . 16517 1 13 no REF WP_008508080 . "arsenate reductase [Brucella inopinata]" . . . . . 96.67 116 97.41 99.14 5.12e-78 . . . . 16517 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Arsenate reductase' 16517 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16517 1 2 . PRO . 16517 1 3 . GLY . 16517 1 4 . SER . 16517 1 5 . MET . 16517 1 6 . SER . 16517 1 7 . VAL . 16517 1 8 . THR . 16517 1 9 . ILE . 16517 1 10 . TYR . 16517 1 11 . GLY . 16517 1 12 . ILE . 16517 1 13 . LYS . 16517 1 14 . ASN . 16517 1 15 . CYS . 16517 1 16 . ASP . 16517 1 17 . THR . 16517 1 18 . MET . 16517 1 19 . LYS . 16517 1 20 . LYS . 16517 1 21 . ALA . 16517 1 22 . ARG . 16517 1 23 . ILE . 16517 1 24 . TRP . 16517 1 25 . LEU . 16517 1 26 . GLU . 16517 1 27 . ASP . 16517 1 28 . HIS . 16517 1 29 . GLY . 16517 1 30 . ILE . 16517 1 31 . ASP . 16517 1 32 . TYR . 16517 1 33 . THR . 16517 1 34 . PHE . 16517 1 35 . HIS . 16517 1 36 . ASP . 16517 1 37 . TYR . 16517 1 38 . LYS . 16517 1 39 . LYS . 16517 1 40 . GLU . 16517 1 41 . GLY . 16517 1 42 . LEU . 16517 1 43 . ASP . 16517 1 44 . ALA . 16517 1 45 . GLU . 16517 1 46 . THR . 16517 1 47 . LEU . 16517 1 48 . ASP . 16517 1 49 . ARG . 16517 1 50 . PHE . 16517 1 51 . LEU . 16517 1 52 . LYS . 16517 1 53 . THR . 16517 1 54 . VAL . 16517 1 55 . PRO . 16517 1 56 . TRP . 16517 1 57 . GLU . 16517 1 58 . GLN . 16517 1 59 . LEU . 16517 1 60 . LEU . 16517 1 61 . ASN . 16517 1 62 . ARG . 16517 1 63 . ALA . 16517 1 64 . GLY . 16517 1 65 . THR . 16517 1 66 . THR . 16517 1 67 . PHE . 16517 1 68 . ARG . 16517 1 69 . LYS . 16517 1 70 . LEU . 16517 1 71 . PRO . 16517 1 72 . GLU . 16517 1 73 . ASP . 16517 1 74 . VAL . 16517 1 75 . ARG . 16517 1 76 . SER . 16517 1 77 . ASN . 16517 1 78 . VAL . 16517 1 79 . ASP . 16517 1 80 . ALA . 16517 1 81 . ALA . 16517 1 82 . SER . 16517 1 83 . ALA . 16517 1 84 . ARG . 16517 1 85 . GLU . 16517 1 86 . LEU . 16517 1 87 . MET . 16517 1 88 . LEU . 16517 1 89 . ALA . 16517 1 90 . GLN . 16517 1 91 . PRO . 16517 1 92 . SER . 16517 1 93 . MET . 16517 1 94 . VAL . 16517 1 95 . LYS . 16517 1 96 . ARG . 16517 1 97 . PRO . 16517 1 98 . VAL . 16517 1 99 . LEU . 16517 1 100 . GLU . 16517 1 101 . ARG . 16517 1 102 . ASP . 16517 1 103 . GLY . 16517 1 104 . LYS . 16517 1 105 . LEU . 16517 1 106 . MET . 16517 1 107 . VAL . 16517 1 108 . GLY . 16517 1 109 . PHE . 16517 1 110 . LYS . 16517 1 111 . PRO . 16517 1 112 . ALA . 16517 1 113 . GLN . 16517 1 114 . TYR . 16517 1 115 . GLU . 16517 1 116 . ALA . 16517 1 117 . TYR . 16517 1 118 . PHE . 16517 1 119 . LYS . 16517 1 120 . LEU . 16517 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16517 1 . PRO 2 2 16517 1 . GLY 3 3 16517 1 . SER 4 4 16517 1 . MET 5 5 16517 1 . SER 6 6 16517 1 . VAL 7 7 16517 1 . THR 8 8 16517 1 . ILE 9 9 16517 1 . TYR 10 10 16517 1 . GLY 11 11 16517 1 . ILE 12 12 16517 1 . LYS 13 13 16517 1 . ASN 14 14 16517 1 . CYS 15 15 16517 1 . ASP 16 16 16517 1 . THR 17 17 16517 1 . MET 18 18 16517 1 . LYS 19 19 16517 1 . LYS 20 20 16517 1 . ALA 21 21 16517 1 . ARG 22 22 16517 1 . ILE 23 23 16517 1 . TRP 24 24 16517 1 . LEU 25 25 16517 1 . GLU 26 26 16517 1 . ASP 27 27 16517 1 . HIS 28 28 16517 1 . GLY 29 29 16517 1 . ILE 30 30 16517 1 . ASP 31 31 16517 1 . TYR 32 32 16517 1 . THR 33 33 16517 1 . PHE 34 34 16517 1 . HIS 35 35 16517 1 . ASP 36 36 16517 1 . TYR 37 37 16517 1 . LYS 38 38 16517 1 . LYS 39 39 16517 1 . GLU 40 40 16517 1 . GLY 41 41 16517 1 . LEU 42 42 16517 1 . ASP 43 43 16517 1 . ALA 44 44 16517 1 . GLU 45 45 16517 1 . THR 46 46 16517 1 . LEU 47 47 16517 1 . ASP 48 48 16517 1 . ARG 49 49 16517 1 . PHE 50 50 16517 1 . LEU 51 51 16517 1 . LYS 52 52 16517 1 . THR 53 53 16517 1 . VAL 54 54 16517 1 . PRO 55 55 16517 1 . TRP 56 56 16517 1 . GLU 57 57 16517 1 . GLN 58 58 16517 1 . LEU 59 59 16517 1 . LEU 60 60 16517 1 . ASN 61 61 16517 1 . ARG 62 62 16517 1 . ALA 63 63 16517 1 . GLY 64 64 16517 1 . THR 65 65 16517 1 . THR 66 66 16517 1 . PHE 67 67 16517 1 . ARG 68 68 16517 1 . LYS 69 69 16517 1 . LEU 70 70 16517 1 . PRO 71 71 16517 1 . GLU 72 72 16517 1 . ASP 73 73 16517 1 . VAL 74 74 16517 1 . ARG 75 75 16517 1 . SER 76 76 16517 1 . ASN 77 77 16517 1 . VAL 78 78 16517 1 . ASP 79 79 16517 1 . ALA 80 80 16517 1 . ALA 81 81 16517 1 . SER 82 82 16517 1 . ALA 83 83 16517 1 . ARG 84 84 16517 1 . GLU 85 85 16517 1 . LEU 86 86 16517 1 . MET 87 87 16517 1 . LEU 88 88 16517 1 . ALA 89 89 16517 1 . GLN 90 90 16517 1 . PRO 91 91 16517 1 . SER 92 92 16517 1 . MET 93 93 16517 1 . VAL 94 94 16517 1 . LYS 95 95 16517 1 . ARG 96 96 16517 1 . PRO 97 97 16517 1 . VAL 98 98 16517 1 . LEU 99 99 16517 1 . GLU 100 100 16517 1 . ARG 101 101 16517 1 . ASP 102 102 16517 1 . GLY 103 103 16517 1 . LYS 104 104 16517 1 . LEU 105 105 16517 1 . MET 106 106 16517 1 . VAL 107 107 16517 1 . GLY 108 108 16517 1 . PHE 109 109 16517 1 . LYS 110 110 16517 1 . PRO 111 111 16517 1 . ALA 112 112 16517 1 . GLN 113 113 16517 1 . TYR 114 114 16517 1 . GLU 115 115 16517 1 . ALA 116 116 16517 1 . TYR 117 117 16517 1 . PHE 118 118 16517 1 . LYS 119 119 16517 1 . LEU 120 120 16517 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 16517 _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 $BR7 . 29459 organism . 'Brucella melitensis' 'Brucella melitensis' . . Bacteria . Brucella melitensis 'BIOVAR ABORTUS 2308' . . . . . . . . . . . . . . . ArsC . . . . 16517 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 16517 _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 $BR7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . AVA0421 . . . . . . 16517 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16517 _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 BR7 'natural abundance' . . 1 $BR7 . . 1.5 . . mM 0.2 . . . 16517 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 3 . . . 16517 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 16517 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 16517 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16517 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16517 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16517 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BR7 'natural abundance' . . 1 $BR7 . . 1.0 . . mM 0.2 . . . 16517 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 3 . . . 16517 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 16517 2 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 16517 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16517 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16517 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 0.01 M 16517 1 pH 7.1 0.1 pH 16517 1 pressure 1.0 . atm 16517 1 temperature 293 0.5 K 16517 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16517 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16517 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16517 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16517 _Software.ID 2 _Software.Name FELIX _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16517 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16517 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16517 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16517 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16517 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16517 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16517 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16517 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16517 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16517 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16517 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16517 _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 . 750 . . . 16517 1 2 spectrometer_2 Varian INOVA . 600 . . . 16517 1 3 spectrometer_3 Varian INOVA . 800 . . . 16517 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 16517 _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 . . . . . . . . . . . . . . . . 16517 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16517 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16517 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16517 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16517 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16517 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16517 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16517 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16517 1 10 'deuterium exchange' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16517 1 11 '3D HBHA_CO_NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16517 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 16517 _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 . indirect 0.251449530 . . . . . . . . . 16517 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16517 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16517 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 16517 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 16517 1 3 '3D 1H-15N NOESY' . . . 16517 1 4 '3D 1H-13C NOESY' . . . 16517 1 5 '3D HNCO' . . . 16517 1 8 '3D C(CO)NH' . . . 16517 1 9 '3D H(CCO)NH' . . . 16517 1 11 '3D HBHA_CO_NH' . . . 16517 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $Felix . . 16517 1 3 $SPARKY . . 16517 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 PRO HA H 1 4.50 0.02 . 1 . . . . 2 PRO HA . 16517 1 2 . 1 1 2 2 PRO HB2 H 1 2.35 0.02 . 2 . . . . 2 PRO HB2 . 16517 1 3 . 1 1 2 2 PRO HB3 H 1 2.03 0.02 . 2 . . . . 2 PRO HB3 . 16517 1 4 . 1 1 2 2 PRO HD2 H 1 3.63 0.02 . 2 . . . . 2 PRO HD2 . 16517 1 5 . 1 1 2 2 PRO HD3 H 1 3.61 0.02 . 2 . . . . 2 PRO HD3 . 16517 1 6 . 1 1 2 2 PRO HG2 H 1 2.10 0.02 . 2 . . . . 2 PRO HG2 . 16517 1 7 . 1 1 2 2 PRO HG3 H 1 2.06 0.02 . 2 . . . . 2 PRO HG3 . 16517 1 8 . 1 1 2 2 PRO C C 13 177.5 0.2 . 1 . . . . 2 PRO C . 16517 1 9 . 1 1 2 2 PRO CA C 13 63.5 0.2 . 1 . . . . 2 PRO CA . 16517 1 10 . 1 1 2 2 PRO CB C 13 32.2 0.2 . 1 . . . . 2 PRO CB . 16517 1 11 . 1 1 2 2 PRO CD C 13 49.6 0.2 . 1 . . . . 2 PRO CD . 16517 1 12 . 1 1 2 2 PRO CG C 13 27.2 0.2 . 1 . . . . 2 PRO CG . 16517 1 13 . 1 1 3 3 GLY H H 1 8.113 0.02 . 1 . . . . 3 GLY H . 16517 1 14 . 1 1 3 3 GLY HA2 H 1 4.06 0.02 . 2 . . . . 3 GLY HA2 . 16517 1 15 . 1 1 3 3 GLY HA3 H 1 4.03 0.02 . 2 . . . . 3 GLY HA3 . 16517 1 16 . 1 1 3 3 GLY CA C 13 45.3 0.2 . 1 . . . . 3 GLY CA . 16517 1 17 . 1 1 3 3 GLY N N 15 110.5 0.2 . 1 . . . . 3 GLY N . 16517 1 18 . 1 1 4 4 SER H H 1 8.28 0.02 . 1 . . . . 4 SER H . 16517 1 19 . 1 1 4 4 SER HA H 1 4.52 0.02 . 1 . . . . 4 SER HA . 16517 1 20 . 1 1 4 4 SER HB2 H 1 4.01 0.02 . 2 . . . . 4 SER HB2 . 16517 1 21 . 1 1 4 4 SER HB3 H 1 4.01 0.02 . 2 . . . . 4 SER HB3 . 16517 1 22 . 1 1 4 4 SER C C 13 178.1 0.2 . 1 . . . . 4 SER C . 16517 1 23 . 1 1 4 4 SER CA C 13 58.6 0.2 . 1 . . . . 4 SER CA . 16517 1 24 . 1 1 4 4 SER CB C 13 63.8 0.2 . 1 . . . . 4 SER CB . 16517 1 25 . 1 1 4 4 SER N N 15 115.9 0.2 . 1 . . . . 4 SER N . 16517 1 26 . 1 1 5 5 MET H H 1 8.68 0.02 . 1 . . . . 5 MET H . 16517 1 27 . 1 1 5 5 MET HA H 1 4.70 0.02 . 1 . . . . 5 MET HA . 16517 1 28 . 1 1 5 5 MET HB2 H 1 2.73 0.02 . 2 . . . . 5 MET HB2 . 16517 1 29 . 1 1 5 5 MET HB3 H 1 2.57 0.02 . 2 . . . . 5 MET HB3 . 16517 1 30 . 1 1 5 5 MET HG2 H 1 2.27 0.02 . 2 . . . . 5 MET HG2 . 16517 1 31 . 1 1 5 5 MET HG3 H 1 2.11 0.02 . 2 . . . . 5 MET HG3 . 16517 1 32 . 1 1 5 5 MET C C 13 174.8 0.2 . 1 . . . . 5 MET C . 16517 1 33 . 1 1 5 5 MET CA C 13 54.9 0.2 . 1 . . . . 5 MET CA . 16517 1 34 . 1 1 5 5 MET CB C 13 32.5 0.2 . 1 . . . . 5 MET CB . 16517 1 35 . 1 1 5 5 MET CG C 13 32.5 0.2 . 1 . . . . 5 MET CG . 16517 1 36 . 1 1 5 5 MET N N 15 121.5 0.2 . 1 . . . . 5 MET N . 16517 1 37 . 1 1 6 6 SER H H 1 8.22 0.02 . 1 . . . . 6 SER H . 16517 1 38 . 1 1 6 6 SER HA H 1 4.58 0.02 . 1 . . . . 6 SER HA . 16517 1 39 . 1 1 6 6 SER HB2 H 1 3.97 0.02 . 2 . . . . 6 SER HB2 . 16517 1 40 . 1 1 6 6 SER HB3 H 1 3.91 0.02 . 2 . . . . 6 SER HB3 . 16517 1 41 . 1 1 6 6 SER C C 13 174.2 0.2 . 1 . . . . 6 SER C . 16517 1 42 . 1 1 6 6 SER CA C 13 59.1 0.2 . 1 . . . . 6 SER CA . 16517 1 43 . 1 1 6 6 SER CB C 13 63.8 0.2 . 1 . . . . 6 SER CB . 16517 1 44 . 1 1 6 6 SER N N 15 117.0 0.2 . 1 . . . . 6 SER N . 16517 1 45 . 1 1 7 7 VAL H H 1 8.75 0.02 . 1 . . . . 7 VAL H . 16517 1 46 . 1 1 7 7 VAL HA H 1 4.84 0.02 . 1 . . . . 7 VAL HA . 16517 1 47 . 1 1 7 7 VAL HB H 1 2.58 0.02 . 1 . . . . 7 VAL HB . 16517 1 48 . 1 1 7 7 VAL HG11 H 1 1.33 0.02 . 2 . . . . 7 VAL MG1 . 16517 1 49 . 1 1 7 7 VAL HG12 H 1 1.33 0.02 . 2 . . . . 7 VAL MG1 . 16517 1 50 . 1 1 7 7 VAL HG13 H 1 1.33 0.02 . 2 . . . . 7 VAL MG1 . 16517 1 51 . 1 1 7 7 VAL HG21 H 1 1.07 0.02 . 2 . . . . 7 VAL MG2 . 16517 1 52 . 1 1 7 7 VAL HG22 H 1 1.07 0.02 . 2 . . . . 7 VAL MG2 . 16517 1 53 . 1 1 7 7 VAL HG23 H 1 1.07 0.02 . 2 . . . . 7 VAL MG2 . 16517 1 54 . 1 1 7 7 VAL C C 13 175.8 0.2 . 1 . . . . 7 VAL C . 16517 1 55 . 1 1 7 7 VAL CA C 13 61.8 0.2 . 1 . . . . 7 VAL CA . 16517 1 56 . 1 1 7 7 VAL CB C 13 33.8 0.2 . 1 . . . . 7 VAL CB . 16517 1 57 . 1 1 7 7 VAL CG1 C 13 22.5 0.2 . 2 . . . . 7 VAL CG1 . 16517 1 58 . 1 1 7 7 VAL CG2 C 13 22.5 0.2 . 2 . . . . 7 VAL CG2 . 16517 1 59 . 1 1 7 7 VAL N N 15 124.1 0.2 . 1 . . . . 7 VAL N . 16517 1 60 . 1 1 8 8 THR H H 1 8.88 0.02 . 1 . . . . 8 THR H . 16517 1 61 . 1 1 8 8 THR HA H 1 5.36 0.02 . 1 . . . . 8 THR HA . 16517 1 62 . 1 1 8 8 THR HB H 1 3.98 0.02 . 1 . . . . 8 THR HB . 16517 1 63 . 1 1 8 8 THR HG21 H 1 0.64 0.02 . 1 . . . . 8 THR MG . 16517 1 64 . 1 1 8 8 THR HG22 H 1 0.64 0.02 . 1 . . . . 8 THR MG . 16517 1 65 . 1 1 8 8 THR HG23 H 1 0.64 0.02 . 1 . . . . 8 THR MG . 16517 1 66 . 1 1 8 8 THR C C 13 172.5 0.2 . 1 . . . . 8 THR C . 16517 1 67 . 1 1 8 8 THR CA C 13 61.7 0.2 . 1 . . . . 8 THR CA . 16517 1 68 . 1 1 8 8 THR CB C 13 70.6 0.2 . 1 . . . . 8 THR CB . 16517 1 69 . 1 1 8 8 THR CG2 C 13 21.3 0.2 . 1 . . . . 8 THR CG2 . 16517 1 70 . 1 1 8 8 THR N N 15 124.5 0.2 . 1 . . . . 8 THR N . 16517 1 71 . 1 1 9 9 ILE H H 1 9.17 0.02 . 1 . . . . 9 ILE H . 16517 1 72 . 1 1 9 9 ILE HA H 1 5.61 0.02 . 1 . . . . 9 ILE HA . 16517 1 73 . 1 1 9 9 ILE HB H 1 1.45 0.02 . 1 . . . . 9 ILE HB . 16517 1 74 . 1 1 9 9 ILE HD11 H 1 0.54 0.02 . 1 . . . . 9 ILE MD . 16517 1 75 . 1 1 9 9 ILE HD12 H 1 0.54 0.02 . 1 . . . . 9 ILE MD . 16517 1 76 . 1 1 9 9 ILE HD13 H 1 0.54 0.02 . 1 . . . . 9 ILE MD . 16517 1 77 . 1 1 9 9 ILE HG12 H 1 1.63 0.02 . 2 . . . . 9 ILE HG12 . 16517 1 78 . 1 1 9 9 ILE HG13 H 1 1.03 0.02 . 2 . . . . 9 ILE HG13 . 16517 1 79 . 1 1 9 9 ILE HG21 H 1 0.87 0.02 . 1 . . . . 9 ILE MG . 16517 1 80 . 1 1 9 9 ILE HG22 H 1 0.87 0.02 . 1 . . . . 9 ILE MG . 16517 1 81 . 1 1 9 9 ILE HG23 H 1 0.87 0.02 . 1 . . . . 9 ILE MG . 16517 1 82 . 1 1 9 9 ILE C C 13 172.5 0.2 . 1 . . . . 9 ILE C . 16517 1 83 . 1 1 9 9 ILE CA C 13 58.3 0.2 . 1 . . . . 9 ILE CA . 16517 1 84 . 1 1 9 9 ILE CB C 13 42.4 0.2 . 1 . . . . 9 ILE CB . 16517 1 85 . 1 1 9 9 ILE CD1 C 13 13.8 0.2 . 1 . . . . 9 ILE CD1 . 16517 1 86 . 1 1 9 9 ILE CG1 C 13 28.9 0.2 . 1 . . . . 9 ILE CG1 . 16517 1 87 . 1 1 9 9 ILE CG2 C 13 17.0 0.2 . 1 . . . . 9 ILE CG2 . 16517 1 88 . 1 1 9 9 ILE N N 15 123.9 0.2 . 1 . . . . 9 ILE N . 16517 1 89 . 1 1 10 10 TYR H H 1 9.74 0.02 . 1 . . . . 10 TYR H . 16517 1 90 . 1 1 10 10 TYR HA H 1 5.41 0.02 . 1 . . . . 10 TYR HA . 16517 1 91 . 1 1 10 10 TYR HB2 H 1 3.13 0.02 . 2 . . . . 10 TYR HB2 . 16517 1 92 . 1 1 10 10 TYR HB3 H 1 3.07 0.02 . 2 . . . . 10 TYR HB3 . 16517 1 93 . 1 1 10 10 TYR HD1 H 1 6.95 0.02 . 3 . . . . 10 TYR HD1 . 16517 1 94 . 1 1 10 10 TYR HD2 H 1 6.95 0.02 . 3 . . . . 10 TYR HD2 . 16517 1 95 . 1 1 10 10 TYR C C 13 177.5 0.2 . 1 . . . . 10 TYR C . 16517 1 96 . 1 1 10 10 TYR CA C 13 56.5 0.2 . 1 . . . . 10 TYR CA . 16517 1 97 . 1 1 10 10 TYR CB C 13 40.3 0.2 . 1 . . . . 10 TYR CB . 16517 1 98 . 1 1 10 10 TYR CD1 C 13 131.1 0.2 . 3 . . . . 10 TYR CD1 . 16517 1 99 . 1 1 10 10 TYR CD2 C 13 131.1 0.2 . 3 . . . . 10 TYR CD2 . 16517 1 100 . 1 1 10 10 TYR N N 15 125.3 0.2 . 1 . . . . 10 TYR N . 16517 1 101 . 1 1 11 11 GLY H H 1 7.88 0.02 . 1 . . . . 11 GLY H . 16517 1 102 . 1 1 11 11 GLY HA2 H 1 4.70 0.02 . 2 . . . . 11 GLY HA2 . 16517 1 103 . 1 1 11 11 GLY HA3 H 1 4.70 0.02 . 2 . . . . 11 GLY HA3 . 16517 1 104 . 1 1 11 11 GLY C C 13 170.0 0.2 . 1 . . . . 11 GLY C . 16517 1 105 . 1 1 11 11 GLY CA C 13 46.7 0.2 . 1 . . . . 11 GLY CA . 16517 1 106 . 1 1 11 11 GLY N N 15 108.6 0.2 . 1 . . . . 11 GLY N . 16517 1 107 . 1 1 12 12 ILE H H 1 6.34 0.02 . 1 . . . . 12 ILE H . 16517 1 108 . 1 1 12 12 ILE HA H 1 5.33 0.02 . 1 . . . . 12 ILE HA . 16517 1 109 . 1 1 12 12 ILE HB H 1 2.45 0.02 . 1 . . . . 12 ILE HB . 16517 1 110 . 1 1 12 12 ILE HD11 H 1 1.01 0.02 . 1 . . . . 12 ILE MD . 16517 1 111 . 1 1 12 12 ILE HD12 H 1 1.01 0.02 . 1 . . . . 12 ILE MD . 16517 1 112 . 1 1 12 12 ILE HD13 H 1 1.01 0.02 . 1 . . . . 12 ILE MD . 16517 1 113 . 1 1 12 12 ILE HG12 H 1 1.26 0.02 . 2 . . . . 12 ILE HG12 . 16517 1 114 . 1 1 12 12 ILE HG13 H 1 0.82 0.02 . 2 . . . . 12 ILE HG13 . 16517 1 115 . 1 1 12 12 ILE HG21 H 1 1.24 0.02 . 1 . . . . 12 ILE MG . 16517 1 116 . 1 1 12 12 ILE HG22 H 1 1.24 0.02 . 1 . . . . 12 ILE MG . 16517 1 117 . 1 1 12 12 ILE HG23 H 1 1.24 0.02 . 1 . . . . 12 ILE MG . 16517 1 118 . 1 1 12 12 ILE C C 13 175.1 0.2 . 1 . . . . 12 ILE C . 16517 1 119 . 1 1 12 12 ILE CA C 13 59.3 0.2 . 1 . . . . 12 ILE CA . 16517 1 120 . 1 1 12 12 ILE CB C 13 41.0 0.2 . 1 . . . . 12 ILE CB . 16517 1 121 . 1 1 12 12 ILE CD1 C 13 13.2 0.2 . 1 . . . . 12 ILE CD1 . 16517 1 122 . 1 1 12 12 ILE CG1 C 13 25.6 0.2 . 1 . . . . 12 ILE CG1 . 16517 1 123 . 1 1 12 12 ILE CG2 C 13 18.5 0.2 . 1 . . . . 12 ILE CG2 . 16517 1 124 . 1 1 12 12 ILE N N 15 113.3 0.2 . 1 . . . . 12 ILE N . 16517 1 125 . 1 1 13 13 LYS H H 1 9.45 0.2 . 1 . . . . 13 LYS H . 16517 1 126 . 1 1 13 13 LYS HA H 1 4.09 0.02 . 1 . . . . 13 LYS HA . 16517 1 127 . 1 1 13 13 LYS HB2 H 1 1.97 0.02 . 2 . . . . 13 LYS HB2 . 16517 1 128 . 1 1 13 13 LYS HB3 H 1 1.71 0.02 . 2 . . . . 13 LYS HB3 . 16517 1 129 . 1 1 13 13 LYS C C 13 177.8 0.2 . 1 . . . . 13 LYS C . 16517 1 130 . 1 1 13 13 LYS CA C 13 59.2 0.2 . 1 . . . . 13 LYS CA . 16517 1 131 . 1 1 13 13 LYS CB C 13 33.6 0.2 . 1 . . . . 13 LYS CB . 16517 1 132 . 1 1 13 13 LYS CD C 13 29.5 0.2 . 1 . . . . 13 LYS CD . 16517 1 133 . 1 1 13 13 LYS N N 15 120.9 0.2 . 1 . . . . 13 LYS N . 16517 1 134 . 1 1 14 14 ASN H H 1 8.70 0.02 . 1 . . . . 14 ASN H . 16517 1 135 . 1 1 14 14 ASN HA H 1 4.69 0.02 . 1 . . . . 14 ASN HA . 16517 1 136 . 1 1 14 14 ASN HB2 H 1 2.90 0.02 . 2 . . . . 14 ASN HB2 . 16517 1 137 . 1 1 14 14 ASN HB3 H 1 2.80 0.02 . 2 . . . . 14 ASN HB3 . 16517 1 138 . 1 1 14 14 ASN HD21 H 1 7.52 0.02 . 2 . . . . 14 ASN HD21 . 16517 1 139 . 1 1 14 14 ASN HD22 H 1 6.82 0.02 . 2 . . . . 14 ASN HD22 . 16517 1 140 . 1 1 14 14 ASN C C 13 173.1 0.2 . 1 . . . . 14 ASN C . 16517 1 141 . 1 1 14 14 ASN CA C 13 52.7 0.2 . 1 . . . . 14 ASN CA . 16517 1 142 . 1 1 14 14 ASN CB C 13 36.3 0.2 . 1 . . . . 14 ASN CB . 16517 1 143 . 1 1 14 14 ASN N N 15 116.6 0.2 . 1 . . . . 14 ASN N . 16517 1 144 . 1 1 14 14 ASN ND2 N 15 111.9 0.2 . 1 . . . . 14 ASN ND2 . 16517 1 145 . 1 1 15 15 CYS H H 1 7.44 0.02 . 1 . . . . 15 CYS H . 16517 1 146 . 1 1 15 15 CYS HA H 1 4.51 0.02 . 1 . . . . 15 CYS HA . 16517 1 147 . 1 1 15 15 CYS HB2 H 1 2.72 0.02 . 2 . . . . 15 CYS HB2 . 16517 1 148 . 1 1 15 15 CYS HB3 H 1 2.41 0.02 . 2 . . . . 15 CYS HB3 . 16517 1 149 . 1 1 15 15 CYS CA C 13 59.1 0.2 . 1 . . . . 15 CYS CA . 16517 1 150 . 1 1 15 15 CYS CB C 13 30.8 0.2 . 1 . . . . 15 CYS CB . 16517 1 151 . 1 1 15 15 CYS N N 15 124.4 0.2 . 1 . . . . 15 CYS N . 16517 1 152 . 1 1 16 16 ASP HA H 1 4.46 0.02 . 1 . . . . 16 ASP HA . 16517 1 153 . 1 1 16 16 ASP HB2 H 1 2.77 0.02 . 2 . . . . 16 ASP HB2 . 16517 1 154 . 1 1 16 16 ASP HB3 H 1 2.72 0.02 . 2 . . . . 16 ASP HB3 . 16517 1 155 . 1 1 16 16 ASP C C 13 178.0 0.2 . 1 . . . . 16 ASP C . 16517 1 156 . 1 1 16 16 ASP CA C 13 57.5 0.2 . 1 . . . . 16 ASP CA . 16517 1 157 . 1 1 16 16 ASP CB C 13 41.4 0.2 . 1 . . . . 16 ASP CB . 16517 1 158 . 1 1 17 17 THR H H 1 9.21 0.02 . 1 . . . . 17 THR H . 16517 1 159 . 1 1 17 17 THR HA H 1 4.00 0.02 . 1 . . . . 17 THR HA . 16517 1 160 . 1 1 17 17 THR HB H 1 4.24 0.02 . 1 . . . . 17 THR HB . 16517 1 161 . 1 1 17 17 THR HG21 H 1 1.36 0.02 . 1 . . . . 17 THR MG . 16517 1 162 . 1 1 17 17 THR HG22 H 1 1.36 0.02 . 1 . . . . 17 THR MG . 16517 1 163 . 1 1 17 17 THR HG23 H 1 1.36 0.02 . 1 . . . . 17 THR MG . 16517 1 164 . 1 1 17 17 THR C C 13 176.0 0.2 . 1 . . . . 17 THR C . 16517 1 165 . 1 1 17 17 THR CA C 13 67.4 0.2 . 1 . . . . 17 THR CA . 16517 1 166 . 1 1 17 17 THR CB C 13 68.2 0.2 . 1 . . . . 17 THR CB . 16517 1 167 . 1 1 17 17 THR CG2 C 13 23.3 0.2 . 1 . . . . 17 THR CG2 . 16517 1 168 . 1 1 17 17 THR N N 15 122.2 0.2 . 1 . . . . 17 THR N . 16517 1 169 . 1 1 18 18 MET H H 1 8.94 0.02 . 1 . . . . 18 MET H . 16517 1 170 . 1 1 18 18 MET HA H 1 3.99 0.02 . 1 . . . . 18 MET HA . 16517 1 171 . 1 1 18 18 MET HE1 H 1 1.77 0.02 . 1 . . . . 18 MET ME . 16517 1 172 . 1 1 18 18 MET HE2 H 1 1.77 0.02 . 1 . . . . 18 MET ME . 16517 1 173 . 1 1 18 18 MET HE3 H 1 1.77 0.02 . 1 . . . . 18 MET ME . 16517 1 174 . 1 1 18 18 MET HG2 H 1 3.52 0.02 . 2 . . . . 18 MET HG2 . 16517 1 175 . 1 1 18 18 MET HG3 H 1 3.30 0.02 . 2 . . . . 18 MET HG3 . 16517 1 176 . 1 1 18 18 MET C C 13 178.3 0.2 . 1 . . . . 18 MET C . 16517 1 177 . 1 1 18 18 MET CA C 13 56.0 0.2 . 1 . . . . 18 MET CA . 16517 1 178 . 1 1 18 18 MET CB C 13 31.4 0.2 . 1 . . . . 18 MET CB . 16517 1 179 . 1 1 18 18 MET CE C 13 15.5 0.2 . 1 . . . . 18 MET CE . 16517 1 180 . 1 1 18 18 MET CG C 13 31.6 0.2 . 1 . . . . 18 MET CG . 16517 1 181 . 1 1 18 18 MET N N 15 125.3 0.2 . 1 . . . . 18 MET N . 16517 1 182 . 1 1 19 19 LYS H H 1 8.08 0.02 . 1 . . . . 19 LYS H . 16517 1 183 . 1 1 19 19 LYS HA H 1 3.80 0.02 . 1 . . . . 19 LYS HA . 16517 1 184 . 1 1 19 19 LYS HB2 H 1 1.93 0.02 . 2 . . . . 19 LYS HB2 . 16517 1 185 . 1 1 19 19 LYS HB3 H 1 1.93 0.02 . 2 . . . . 19 LYS HB3 . 16517 1 186 . 1 1 19 19 LYS CA C 13 60.0 0.2 . 1 . . . . 19 LYS CA . 16517 1 187 . 1 1 19 19 LYS CB C 13 32.5 0.2 . 1 . . . . 19 LYS CB . 16517 1 188 . 1 1 19 19 LYS CD C 13 29.6 0.2 . 1 . . . . 19 LYS CD . 16517 1 189 . 1 1 19 19 LYS CE C 13 42.2 0.2 . 1 . . . . 19 LYS CE . 16517 1 190 . 1 1 19 19 LYS CG C 13 25.2 0.2 . 1 . . . . 19 LYS CG . 16517 1 191 . 1 1 19 19 LYS N N 15 117.9 0.2 . 1 . . . . 19 LYS N . 16517 1 192 . 1 1 20 20 LYS H H 1 7.51 0.2 . 1 . . . . 20 LYS H . 16517 1 193 . 1 1 20 20 LYS HA H 1 3.79 0.2 . 1 . . . . 20 LYS HA . 16517 1 194 . 1 1 20 20 LYS HE2 H 1 3.07 0.02 . 2 . . . . 20 LYS HE2 . 16517 1 195 . 1 1 20 20 LYS HE3 H 1 3.07 0.0 . 2 . . . . 20 LYS HE3 . 16517 1 196 . 1 1 20 20 LYS HG2 H 1 1.75 0.02 . 2 . . . . 20 LYS HG2 . 16517 1 197 . 1 1 20 20 LYS HG3 H 1 1.50 0.02 . 2 . . . . 20 LYS HG3 . 16517 1 198 . 1 1 20 20 LYS C C 13 178.5 0.2 . 1 . . . . 20 LYS C . 16517 1 199 . 1 1 20 20 LYS CA C 13 59.5 0.2 . 1 . . . . 20 LYS CA . 16517 1 200 . 1 1 20 20 LYS CB C 13 32.8 0.2 . 1 . . . . 20 LYS CB . 16517 1 201 . 1 1 20 20 LYS CD C 13 29.3 0.2 . 1 . . . . 20 LYS CD . 16517 1 202 . 1 1 20 20 LYS CE C 13 42.3 0.2 . 1 . . . . 20 LYS CE . 16517 1 203 . 1 1 20 20 LYS CG C 13 26.0 0.2 . 1 . . . . 20 LYS CG . 16517 1 204 . 1 1 20 20 LYS N N 15 117.5 0.2 . 1 . . . . 20 LYS N . 16517 1 205 . 1 1 21 21 ALA H H 1 7.73 0.02 . 1 . . . . 21 ALA H . 16517 1 206 . 1 1 21 21 ALA HA H 1 2.54 0.02 . 1 . . . . 21 ALA HA . 16517 1 207 . 1 1 21 21 ALA HB1 H 1 0.86 0.02 . 1 . . . . 21 ALA MB . 16517 1 208 . 1 1 21 21 ALA HB2 H 1 0.86 0.02 . 1 . . . . 21 ALA MB . 16517 1 209 . 1 1 21 21 ALA HB3 H 1 0.86 0.02 . 1 . . . . 21 ALA MB . 16517 1 210 . 1 1 21 21 ALA C C 13 178.7 0.2 . 1 . . . . 21 ALA C . 16517 1 211 . 1 1 21 21 ALA CA C 13 54.4 0.2 . 1 . . . . 21 ALA CA . 16517 1 212 . 1 1 21 21 ALA CB C 13 19.0 0.2 . 1 . . . . 21 ALA CB . 16517 1 213 . 1 1 21 21 ALA N N 15 123.6 0.2 . 1 . . . . 21 ALA N . 16517 1 214 . 1 1 22 22 ARG H H 1 8.11 0.02 . 1 . . . . 22 ARG H . 16517 1 215 . 1 1 22 22 ARG HA H 1 3.49 0.02 . 1 . . . . 22 ARG HA . 16517 1 216 . 1 1 22 22 ARG HB2 H 1 2.01 0.02 . 2 . . . . 22 ARG HB2 . 16517 1 217 . 1 1 22 22 ARG HB3 H 1 1.69 0.02 . 2 . . . . 22 ARG HB3 . 16517 1 218 . 1 1 22 22 ARG HD2 H 1 2.77 0.02 . 2 . . . . 22 ARG HD2 . 16517 1 219 . 1 1 22 22 ARG HD3 H 1 2.54 0.02 . 2 . . . . 22 ARG HD3 . 16517 1 220 . 1 1 22 22 ARG HG2 H 1 1.84 0.02 . 2 . . . . 22 ARG HG2 . 16517 1 221 . 1 1 22 22 ARG HG3 H 1 1.00 0.02 . 2 . . . . 22 ARG HG3 . 16517 1 222 . 1 1 22 22 ARG C C 13 178.2 0.2 . 1 . . . . 22 ARG C . 16517 1 223 . 1 1 22 22 ARG CA C 13 60.5 0.2 . 1 . . . . 22 ARG CA . 16517 1 224 . 1 1 22 22 ARG CB C 13 30.7 0.2 . 1 . . . . 22 ARG CB . 16517 1 225 . 1 1 22 22 ARG CD C 13 44.1 0.2 . 1 . . . . 22 ARG CD . 16517 1 226 . 1 1 22 22 ARG CG C 13 28.2 0.2 . 1 . . . . 22 ARG CG . 16517 1 227 . 1 1 22 22 ARG N N 15 116.1 0.2 . 1 . . . . 22 ARG N . 16517 1 228 . 1 1 23 23 ILE H H 1 7.86 0.02 . 1 . . . . 23 ILE H . 16517 1 229 . 1 1 23 23 ILE HA H 1 3.71 0.02 . 1 . . . . 23 ILE HA . 16517 1 230 . 1 1 23 23 ILE HB H 1 1.76 0.02 . 1 . . . . 23 ILE HB . 16517 1 231 . 1 1 23 23 ILE HD11 H 1 0.82 0.02 . 1 . . . . 23 ILE MD . 16517 1 232 . 1 1 23 23 ILE HD12 H 1 0.82 0.02 . 1 . . . . 23 ILE MD . 16517 1 233 . 1 1 23 23 ILE HD13 H 1 0.82 0.02 . 1 . . . . 23 ILE MD . 16517 1 234 . 1 1 23 23 ILE HG12 H 1 1.68 0.02 . 2 . . . . 23 ILE HG12 . 16517 1 235 . 1 1 23 23 ILE HG13 H 1 1.13 0.02 . 2 . . . . 23 ILE HG13 . 16517 1 236 . 1 1 23 23 ILE HG21 H 1 0.92 0.02 . 1 . . . . 23 ILE MG . 16517 1 237 . 1 1 23 23 ILE HG22 H 1 0.92 0.02 . 1 . . . . 23 ILE MG . 16517 1 238 . 1 1 23 23 ILE HG23 H 1 0.92 0.02 . 1 . . . . 23 ILE MG . 16517 1 239 . 1 1 23 23 ILE C C 13 177.2 0.2 . 1 . . . . 23 ILE C . 16517 1 240 . 1 1 23 23 ILE CA C 13 65.0 0.2 . 1 . . . . 23 ILE CA . 16517 1 241 . 1 1 23 23 ILE CB C 13 38.0 0.2 . 1 . . . . 23 ILE CB . 16517 1 242 . 1 1 23 23 ILE CD1 C 13 13.6 0.2 . 1 . . . . 23 ILE CD1 . 16517 1 243 . 1 1 23 23 ILE CG1 C 13 29.8 0.2 . 1 . . . . 23 ILE CG1 . 16517 1 244 . 1 1 23 23 ILE CG2 C 13 17.4 0.2 . 1 . . . . 23 ILE CG2 . 16517 1 245 . 1 1 23 23 ILE N N 15 119.4 0.2 . 1 . . . . 23 ILE N . 16517 1 246 . 1 1 24 24 TRP H H 1 7.88 0.02 . 1 . . . . 24 TRP H . 16517 1 247 . 1 1 24 24 TRP HA H 1 4.27 0.02 . 1 . . . . 24 TRP HA . 16517 1 248 . 1 1 24 24 TRP HB2 H 1 3.63 0.02 . 2 . . . . 24 TRP HB2 . 16517 1 249 . 1 1 24 24 TRP HB3 H 1 3.24 0.02 . 2 . . . . 24 TRP HB3 . 16517 1 250 . 1 1 24 24 TRP HD1 H 1 7.62 0.02 . 1 . . . . 24 TRP HD1 . 16517 1 251 . 1 1 24 24 TRP HE1 H 1 10.90 0.02 . 1 . . . . 24 TRP HE1 . 16517 1 252 . 1 1 24 24 TRP HE3 H 1 7.28 0.02 . 1 . . . . 24 TRP HE3 . 16517 1 253 . 1 1 24 24 TRP HH2 H 1 6.75 0.02 . 1 . . . . 24 TRP HH2 . 16517 1 254 . 1 1 24 24 TRP HZ2 H 1 6.88 0.02 . 1 . . . . 24 TRP HZ2 . 16517 1 255 . 1 1 24 24 TRP HZ3 H 1 6.52 0.02 . 1 . . . . 24 TRP HZ3 . 16517 1 256 . 1 1 24 24 TRP C C 13 176.1 0.2 . 1 . . . . 24 TRP C . 16517 1 257 . 1 1 24 24 TRP CA C 13 63.1 0.2 . 1 . . . . 24 TRP CA . 16517 1 258 . 1 1 24 24 TRP CB C 13 30.2 0.2 . 1 . . . . 24 TRP CB . 16517 1 259 . 1 1 24 24 TRP CD1 C 13 126.8 0.2 . 1 . . . . 24 TRP CD1 . 16517 1 260 . 1 1 24 24 TRP CE3 C 13 121.3 0.2 . 1 . . . . 24 TRP CE3 . 16517 1 261 . 1 1 24 24 TRP CH2 C 13 123.5 0.2 . 1 . . . . 24 TRP CH2 . 16517 1 262 . 1 1 24 24 TRP CZ2 C 13 113.9 0.2 . 1 . . . . 24 TRP CZ2 . 16517 1 263 . 1 1 24 24 TRP CZ3 C 13 121.2 0.2 . 1 . . . . 24 TRP CZ3 . 16517 1 264 . 1 1 24 24 TRP N N 15 121.0 0.2 . 1 . . . . 24 TRP N . 16517 1 265 . 1 1 24 24 TRP NE1 N 15 130.7 0.2 . 1 . . . . 24 TRP NE1 . 16517 1 266 . 1 1 25 25 LEU H H 1 8.69 0.02 . 1 . . . . 25 LEU H . 16517 1 267 . 1 1 25 25 LEU HA H 1 4.00 0.02 . 1 . . . . 25 LEU HA . 16517 1 268 . 1 1 25 25 LEU HB2 H 1 2.10 0.02 . 2 . . . . 25 LEU HB2 . 16517 1 269 . 1 1 25 25 LEU HB3 H 1 2.10 0.02 . 2 . . . . 25 LEU HB3 . 16517 1 270 . 1 1 25 25 LEU HD11 H 1 0.94 0.02 . 2 . . . . 25 LEU MD1 . 16517 1 271 . 1 1 25 25 LEU HD12 H 1 0.94 0.02 . 2 . . . . 25 LEU MD1 . 16517 1 272 . 1 1 25 25 LEU HD13 H 1 0.94 0.02 . 2 . . . . 25 LEU MD1 . 16517 1 273 . 1 1 25 25 LEU HD21 H 1 0.94 0.02 . 2 . . . . 25 LEU MD2 . 16517 1 274 . 1 1 25 25 LEU HD22 H 1 0.94 0.02 . 2 . . . . 25 LEU MD2 . 16517 1 275 . 1 1 25 25 LEU HD23 H 1 0.94 0.02 . 2 . . . . 25 LEU MD2 . 16517 1 276 . 1 1 25 25 LEU HG H 1 0.36 0.02 . 1 . . . . 25 LEU HG . 16517 1 277 . 1 1 25 25 LEU C C 13 178.6 0.2 . 1 . . . . 25 LEU C . 16517 1 278 . 1 1 25 25 LEU CA C 13 59.7 0.2 . 1 . . . . 25 LEU CA . 16517 1 279 . 1 1 25 25 LEU CB C 13 41.2 0.2 . 1 . . . . 25 LEU CB . 16517 1 280 . 1 1 25 25 LEU CD1 C 13 24.2 0.2 . 2 . . . . 25 LEU CD1 . 16517 1 281 . 1 1 25 25 LEU CD2 C 13 24.2 0.2 . 2 . . . . 25 LEU CD2 . 16517 1 282 . 1 1 25 25 LEU CG C 13 25.8 0.2 . 1 . . . . 25 LEU CG . 16517 1 283 . 1 1 25 25 LEU N N 15 121.8 0.2 . 1 . . . . 25 LEU N . 16517 1 284 . 1 1 26 26 GLU H H 1 8.58 0.02 . 1 . . . . 26 GLU H . 16517 1 285 . 1 1 26 26 GLU HA H 1 4.20 0.02 . 1 . . . . 26 GLU HA . 16517 1 286 . 1 1 26 26 GLU HB2 H 1 2.18 0.02 . 2 . . . . 26 GLU HB2 . 16517 1 287 . 1 1 26 26 GLU HB3 H 1 2.11 0.02 . 2 . . . . 26 GLU HB3 . 16517 1 288 . 1 1 26 26 GLU HG2 H 1 2.92 0.02 . 2 . . . . 26 GLU HG2 . 16517 1 289 . 1 1 26 26 GLU HG3 H 1 2.67 0.02 . 2 . . . . 26 GLU HG3 . 16517 1 290 . 1 1 26 26 GLU C C 13 181.2 0.2 . 1 . . . . 26 GLU C . 16517 1 291 . 1 1 26 26 GLU CA C 13 59.5 0.2 . 1 . . . . 26 GLU CA . 16517 1 292 . 1 1 26 26 GLU CB C 13 28.8 0.2 . 1 . . . . 26 GLU CB . 16517 1 293 . 1 1 26 26 GLU CG C 13 37.6 0.2 . 1 . . . . 26 GLU CG . 16517 1 294 . 1 1 26 26 GLU N N 15 120.6 0.2 . 1 . . . . 26 GLU N . 16517 1 295 . 1 1 27 27 ASP H H 1 9.36 0.02 . 1 . . . . 27 ASP H . 16517 1 296 . 1 1 27 27 ASP HA H 1 4.27 0.02 . 1 . . . . 27 ASP HA . 16517 1 297 . 1 1 27 27 ASP HB2 H 1 2.65 0.02 . 2 . . . . 27 ASP HB2 . 16517 1 298 . 1 1 27 27 ASP HB3 H 1 2.18 0.02 . 2 . . . . 27 ASP HB3 . 16517 1 299 . 1 1 27 27 ASP C C 13 177.4 0.2 . 1 . . . . 27 ASP C . 16517 1 300 . 1 1 27 27 ASP CA C 13 56.4 0.2 . 1 . . . . 27 ASP CA . 16517 1 301 . 1 1 27 27 ASP CB C 13 40.0 0.2 . 1 . . . . 27 ASP CB . 16517 1 302 . 1 1 27 27 ASP N N 15 121.8 0.2 . 1 . . . . 27 ASP N . 16517 1 303 . 1 1 28 28 HIS H H 1 7.34 0.02 . 1 . . . . 28 HIS H . 16517 1 304 . 1 1 28 28 HIS HA H 1 4.25 0.02 . 1 . . . . 28 HIS HA . 16517 1 305 . 1 1 28 28 HIS HB2 H 1 3.19 0.02 . 2 . . . . 28 HIS HB2 . 16517 1 306 . 1 1 28 28 HIS HB3 H 1 2.12 0.02 . 2 . . . . 28 HIS HB3 . 16517 1 307 . 1 1 28 28 HIS HD2 H 1 6.96 0.02 . 1 . . . . 28 HIS HD2 . 16517 1 308 . 1 1 28 28 HIS HE1 H 1 7.40 0.02 . 1 . . . . 28 HIS HE1 . 16517 1 309 . 1 1 28 28 HIS C C 13 173.6 0.2 . 1 . . . . 28 HIS C . 16517 1 310 . 1 1 28 28 HIS CA C 13 56.7 0.2 . 1 . . . . 28 HIS CA . 16517 1 311 . 1 1 28 28 HIS CB C 13 27.5 0.2 . 1 . . . . 28 HIS CB . 16517 1 312 . 1 1 28 28 HIS CD2 C 13 119.4 0.2 . 1 . . . . 28 HIS CD2 . 16517 1 313 . 1 1 28 28 HIS CE1 C 13 134.3 0.2 . 1 . . . . 28 HIS CE1 . 16517 1 314 . 1 1 28 28 HIS N N 15 113.4 0.2 . 1 . . . . 28 HIS N . 16517 1 315 . 1 1 29 29 GLY H H 1 7.79 0.02 . 1 . . . . 29 GLY H . 16517 1 316 . 1 1 29 29 GLY HA2 H 1 3.87 0.02 . 2 . . . . 29 GLY HA2 . 16517 1 317 . 1 1 29 29 GLY HA3 H 1 3.87 0.02 . 2 . . . . 29 GLY HA3 . 16517 1 318 . 1 1 29 29 GLY C C 13 174.2 0.2 . 1 . . . . 29 GLY C . 16517 1 319 . 1 1 29 29 GLY CA C 13 46.9 0.2 . 1 . . . . 29 GLY CA . 16517 1 320 . 1 1 29 29 GLY N N 15 109.4 0.2 . 1 . . . . 29 GLY N . 16517 1 321 . 1 1 30 30 ILE H H 1 8.12 0.02 . 1 . . . . 30 ILE H . 16517 1 322 . 1 1 30 30 ILE HA H 1 4.04 0.02 . 1 . . . . 30 ILE HA . 16517 1 323 . 1 1 30 30 ILE HB H 1 1.73 0.02 . 1 . . . . 30 ILE HB . 16517 1 324 . 1 1 30 30 ILE HD11 H 1 0.28 0.02 . 1 . . . . 30 ILE MD . 16517 1 325 . 1 1 30 30 ILE HD12 H 1 0.28 0.02 . 1 . . . . 30 ILE MD . 16517 1 326 . 1 1 30 30 ILE HD13 H 1 0.28 0.02 . 1 . . . . 30 ILE MD . 16517 1 327 . 1 1 30 30 ILE HG12 H 1 1.05 0.02 . 2 . . . . 30 ILE HG12 . 16517 1 328 . 1 1 30 30 ILE HG13 H 1 0.90 0.02 . 2 . . . . 30 ILE HG13 . 16517 1 329 . 1 1 30 30 ILE HG21 H 1 0.85 0.02 . 1 . . . . 30 ILE MG . 16517 1 330 . 1 1 30 30 ILE HG22 H 1 0.85 0.02 . 1 . . . . 30 ILE MG . 16517 1 331 . 1 1 30 30 ILE HG23 H 1 0.85 0.02 . 1 . . . . 30 ILE MG . 16517 1 332 . 1 1 30 30 ILE C C 13 175.5 0.2 . 1 . . . . 30 ILE C . 16517 1 333 . 1 1 30 30 ILE CA C 13 60.0 0.2 . 1 . . . . 30 ILE CA . 16517 1 334 . 1 1 30 30 ILE CB C 13 38.1 0.2 . 1 . . . . 30 ILE CB . 16517 1 335 . 1 1 30 30 ILE CD1 C 13 12.6 0.2 . 1 . . . . 30 ILE CD1 . 16517 1 336 . 1 1 30 30 ILE CG1 C 13 26.9 0.2 . 1 . . . . 30 ILE CG1 . 16517 1 337 . 1 1 30 30 ILE CG2 C 13 17.9 0.2 . 1 . . . . 30 ILE CG2 . 16517 1 338 . 1 1 30 30 ILE N N 15 121.8 0.2 . 1 . . . . 30 ILE N . 16517 1 339 . 1 1 31 31 ASP H H 1 8.43 0.02 . 1 . . . . 31 ASP H . 16517 1 340 . 1 1 31 31 ASP HA H 1 4.65 0.02 . 1 . . . . 31 ASP HA . 16517 1 341 . 1 1 31 31 ASP HB2 H 1 2.63 0.02 . 2 . . . . 31 ASP HB2 . 16517 1 342 . 1 1 31 31 ASP HB3 H 1 2.63 0.02 . 2 . . . . 31 ASP HB3 . 16517 1 343 . 1 1 31 31 ASP C C 13 175.8 0.2 . 1 . . . . 31 ASP C . 16517 1 344 . 1 1 31 31 ASP CA C 13 54.6 0.2 . 1 . . . . 31 ASP CA . 16517 1 345 . 1 1 31 31 ASP CB C 13 41.6 0.2 . 1 . . . . 31 ASP CB . 16517 1 346 . 1 1 31 31 ASP N N 15 128.5 0.2 . 1 . . . . 31 ASP N . 16517 1 347 . 1 1 32 32 TYR H H 1 7.92 0.02 . 1 . . . . 32 TYR H . 16517 1 348 . 1 1 32 32 TYR HA H 1 5.50 0.02 . 1 . . . . 32 TYR HA . 16517 1 349 . 1 1 32 32 TYR HB2 H 1 2.81 0.02 . 2 . . . . 32 TYR HB2 . 16517 1 350 . 1 1 32 32 TYR HB3 H 1 2.68 0.02 . 2 . . . . 32 TYR HB3 . 16517 1 351 . 1 1 32 32 TYR HD1 H 1 7.02 0.02 . 3 . . . . 32 TYR HD1 . 16517 1 352 . 1 1 32 32 TYR HD2 H 1 7.02 0.02 . 3 . . . . 32 TYR HD2 . 16517 1 353 . 1 1 32 32 TYR HE1 H 1 6.75 0.02 . 3 . . . . 32 TYR HE1 . 16517 1 354 . 1 1 32 32 TYR HE2 H 1 6.75 0.02 . 3 . . . . 32 TYR HE2 . 16517 1 355 . 1 1 32 32 TYR C C 13 173.8 0.2 . 1 . . . . 32 TYR C . 16517 1 356 . 1 1 32 32 TYR CA C 13 56.1 0.2 . 1 . . . . 32 TYR CA . 16517 1 357 . 1 1 32 32 TYR CB C 13 41.7 0.2 . 1 . . . . 32 TYR CB . 16517 1 358 . 1 1 32 32 TYR CD1 C 13 134.4 0.2 . 3 . . . . 32 TYR CD1 . 16517 1 359 . 1 1 32 32 TYR CD2 C 13 134.4 0.2 . 3 . . . . 32 TYR CD2 . 16517 1 360 . 1 1 32 32 TYR CE1 C 13 117.3 0.2 . 3 . . . . 32 TYR CE1 . 16517 1 361 . 1 1 32 32 TYR CE2 C 13 117.3 0.2 . 3 . . . . 32 TYR CE2 . 16517 1 362 . 1 1 32 32 TYR N N 15 117.5 0.2 . 1 . . . . 32 TYR N . 16517 1 363 . 1 1 33 33 THR H H 1 8.90 0.02 . 1 . . . . 33 THR H . 16517 1 364 . 1 1 33 33 THR HA H 1 4.47 0.02 . 1 . . . . 33 THR HA . 16517 1 365 . 1 1 33 33 THR HB H 1 4.12 0.02 . 1 . . . . 33 THR HB . 16517 1 366 . 1 1 33 33 THR HG21 H 1 1.19 0.02 . 1 . . . . 33 THR MG . 16517 1 367 . 1 1 33 33 THR HG22 H 1 1.19 0.02 . 1 . . . . 33 THR MG . 16517 1 368 . 1 1 33 33 THR HG23 H 1 1.19 0.02 . 1 . . . . 33 THR MG . 16517 1 369 . 1 1 33 33 THR C C 13 172.9 0.2 . 1 . . . . 33 THR C . 16517 1 370 . 1 1 33 33 THR CA C 13 61.8 0.2 . 1 . . . . 33 THR CA . 16517 1 371 . 1 1 33 33 THR CB C 13 70.8 0.2 . 1 . . . . 33 THR CB . 16517 1 372 . 1 1 33 33 THR CG2 C 13 21.5 0.2 . 1 . . . . 33 THR CG2 . 16517 1 373 . 1 1 33 33 THR N N 15 117.1 0.2 . 1 . . . . 33 THR N . 16517 1 374 . 1 1 34 34 PHE H H 1 9.28 0.02 . 1 . . . . 34 PHE H . 16517 1 375 . 1 1 34 34 PHE HA H 1 5.52 0.02 . 1 . . . . 34 PHE HA . 16517 1 376 . 1 1 34 34 PHE HB2 H 1 3.21 0.02 . 2 . . . . 34 PHE HB2 . 16517 1 377 . 1 1 34 34 PHE HB3 H 1 3.01 0.02 . 2 . . . . 34 PHE HB3 . 16517 1 378 . 1 1 34 34 PHE HD1 H 1 7.18 0.02 . 3 . . . . 34 PHE HD1 . 16517 1 379 . 1 1 34 34 PHE HD2 H 1 7.18 0.02 . 3 . . . . 34 PHE HD2 . 16517 1 380 . 1 1 34 34 PHE HE1 H 1 7.18 0.02 . 3 . . . . 34 PHE HE1 . 16517 1 381 . 1 1 34 34 PHE HE2 H 1 7.18 0.02 . 3 . . . . 34 PHE HE2 . 16517 1 382 . 1 1 34 34 PHE HZ H 1 6.59 0.02 . 1 . . . . 34 PHE HZ . 16517 1 383 . 1 1 34 34 PHE CA C 13 53.9 0.2 . 1 . . . . 34 PHE CA . 16517 1 384 . 1 1 34 34 PHE CB C 13 39.9 0.2 . 1 . . . . 34 PHE CB . 16517 1 385 . 1 1 34 34 PHE CD1 C 13 131.2 0.2 . 3 . . . . 34 PHE CD1 . 16517 1 386 . 1 1 34 34 PHE CD2 C 13 131.2 0.2 . 3 . . . . 34 PHE CD2 . 16517 1 387 . 1 1 34 34 PHE CE1 C 13 131.2 0.2 . 3 . . . . 34 PHE CE1 . 16517 1 388 . 1 1 34 34 PHE CE2 C 13 131.2 0.2 . 3 . . . . 34 PHE CE2 . 16517 1 389 . 1 1 34 34 PHE CZ C 13 127.5 0.2 . 1 . . . . 34 PHE CZ . 16517 1 390 . 1 1 34 34 PHE N N 15 128.2 0.2 . 1 . . . . 34 PHE N . 16517 1 391 . 1 1 35 35 HIS H H 1 9.21 0.02 . 1 . . . . 35 HIS H . 16517 1 392 . 1 1 35 35 HIS HA H 1 4.24 0.02 . 1 . . . . 35 HIS HA . 16517 1 393 . 1 1 35 35 HIS HB2 H 1 2.71 0.02 . 2 . . . . 35 HIS HB2 . 16517 1 394 . 1 1 35 35 HIS HB3 H 1 2.20 0.02 . 2 . . . . 35 HIS HB3 . 16517 1 395 . 1 1 35 35 HIS HD2 H 1 6.69 0.2 . 1 . . . . 35 HIS HD2 . 16517 1 396 . 1 1 35 35 HIS HE1 H 1 8.15 0.2 . 1 . . . . 35 HIS HE1 . 16517 1 397 . 1 1 35 35 HIS CA C 13 54.9 0.2 . 1 . . . . 35 HIS CA . 16517 1 398 . 1 1 35 35 HIS CB C 13 30.7 0.2 . 1 . . . . 35 HIS CB . 16517 1 399 . 1 1 35 35 HIS CD2 C 13 116.8 0.2 . 1 . . . . 35 HIS CD2 . 16517 1 400 . 1 1 35 35 HIS CE1 C 13 137.7 0.2 . 1 . . . . 35 HIS CE1 . 16517 1 401 . 1 1 35 35 HIS N N 15 133.9 0.2 . 1 . . . . 35 HIS N . 16517 1 402 . 1 1 36 36 ASP H H 1 7.93 0.02 . 1 . . . . 36 ASP H . 16517 1 403 . 1 1 36 36 ASP HA H 1 4.47 0.02 . 1 . . . . 36 ASP HA . 16517 1 404 . 1 1 36 36 ASP HB2 H 1 2.74 0.02 . 2 . . . . 36 ASP HB2 . 16517 1 405 . 1 1 36 36 ASP HB3 H 1 1.80 0.02 . 2 . . . . 36 ASP HB3 . 16517 1 406 . 1 1 36 36 ASP C C 13 178.5 0.2 . 1 . . . . 36 ASP C . 16517 1 407 . 1 1 36 36 ASP CA C 13 50.9 0.2 . 1 . . . . 36 ASP CA . 16517 1 408 . 1 1 36 36 ASP CB C 13 42.2 0.2 . 1 . . . . 36 ASP CB . 16517 1 409 . 1 1 36 36 ASP N N 15 127.0 0.2 . 1 . . . . 36 ASP N . 16517 1 410 . 1 1 37 37 TYR H H 1 9.29 0.02 . 1 . . . . 37 TYR H . 16517 1 411 . 1 1 37 37 TYR HB2 H 1 3.23 0.02 . 2 . . . . 37 TYR HB2 . 16517 1 412 . 1 1 37 37 TYR HB3 H 1 2.65 0.02 . 2 . . . . 37 TYR HB3 . 16517 1 413 . 1 1 37 37 TYR HD1 H 1 7.11 0.02 . 3 . . . . 37 TYR HD1 . 16517 1 414 . 1 1 37 37 TYR HD2 H 1 7.11 0.02 . 3 . . . . 37 TYR HD2 . 16517 1 415 . 1 1 37 37 TYR HE1 H 1 7.16 0.02 . 3 . . . . 37 TYR HE1 . 16517 1 416 . 1 1 37 37 TYR HE2 H 1 7.16 0.02 . 3 . . . . 37 TYR HE2 . 16517 1 417 . 1 1 37 37 TYR C C 13 178.7 0.2 . 1 . . . . 37 TYR C . 16517 1 418 . 1 1 37 37 TYR CA C 13 58.7 0.2 . 1 . . . . 37 TYR CA . 16517 1 419 . 1 1 37 37 TYR CB C 13 39.1 0.2 . 1 . . . . 37 TYR CB . 16517 1 420 . 1 1 37 37 TYR CD1 C 13 131.7 0.2 . 3 . . . . 37 TYR CD1 . 16517 1 421 . 1 1 37 37 TYR CD2 C 13 131.7 0.2 . 3 . . . . 37 TYR CD2 . 16517 1 422 . 1 1 37 37 TYR CE1 C 13 119.3 0.2 . 3 . . . . 37 TYR CE1 . 16517 1 423 . 1 1 37 37 TYR CE2 C 13 119.3 0.2 . 3 . . . . 37 TYR CE2 . 16517 1 424 . 1 1 37 37 TYR N N 15 126.4 0.2 . 1 . . . . 37 TYR N . 16517 1 425 . 1 1 38 38 LYS H H 1 8.88 0.02 . 1 . . . . 38 LYS H . 16517 1 426 . 1 1 38 38 LYS HA H 1 4.30 0.02 . 1 . . . . 38 LYS HA . 16517 1 427 . 1 1 38 38 LYS HB2 H 1 2.09 0.02 . 2 . . . . 38 LYS HB2 . 16517 1 428 . 1 1 38 38 LYS HB3 H 1 2.09 0.02 . 2 . . . . 38 LYS HB3 . 16517 1 429 . 1 1 38 38 LYS CA C 13 57.7 0.2 . 1 . . . . 38 LYS CA . 16517 1 430 . 1 1 38 38 LYS CB C 13 31.6 0.2 . 1 . . . . 38 LYS CB . 16517 1 431 . 1 1 38 38 LYS CD C 13 28.3 0.2 . 1 . . . . 38 LYS CD . 16517 1 432 . 1 1 38 38 LYS CE C 13 42.2 0.2 . 1 . . . . 38 LYS CE . 16517 1 433 . 1 1 38 38 LYS CG C 13 25.3 0.2 . 1 . . . . 38 LYS CG . 16517 1 434 . 1 1 38 38 LYS N N 15 115.8 0.2 . 1 . . . . 38 LYS N . 16517 1 435 . 1 1 39 39 LYS H H 1 7.33 0.02 . 1 . . . . 39 LYS H . 16517 1 436 . 1 1 39 39 LYS HA H 1 4.42 0.02 . 1 . . . . 39 LYS HA . 16517 1 437 . 1 1 39 39 LYS HB2 H 1 1.82 0.02 . 2 . . . . 39 LYS HB2 . 16517 1 438 . 1 1 39 39 LYS HB3 H 1 1.74 0.02 . 2 . . . . 39 LYS HB3 . 16517 1 439 . 1 1 39 39 LYS HE2 H 1 3.02 0.02 . 2 . . . . 39 LYS HE2 . 16517 1 440 . 1 1 39 39 LYS HE3 H 1 3.02 0.02 . 2 . . . . 39 LYS HE3 . 16517 1 441 . 1 1 39 39 LYS HG2 H 1 1.46 0.02 . 2 . . . . 39 LYS HG2 . 16517 1 442 . 1 1 39 39 LYS HG3 H 1 1.33 0.02 . 2 . . . . 39 LYS HG3 . 16517 1 443 . 1 1 39 39 LYS CA C 13 57.5 0.2 . 1 . . . . 39 LYS CA . 16517 1 444 . 1 1 39 39 LYS CB C 13 34.6 0.2 . 1 . . . . 39 LYS CB . 16517 1 445 . 1 1 39 39 LYS CD C 13 28.9 0.2 . 1 . . . . 39 LYS CD . 16517 1 446 . 1 1 39 39 LYS CE C 13 42.04 0.2 . 1 . . . . 39 LYS CE . 16517 1 447 . 1 1 39 39 LYS CG C 13 24.9 0.2 . 1 . . . . 39 LYS CG . 16517 1 448 . 1 1 39 39 LYS N N 15 118.8 0.2 . 1 . . . . 39 LYS N . 16517 1 449 . 1 1 40 40 GLU H H 1 8.57 0.02 . 1 . . . . 40 GLU H . 16517 1 450 . 1 1 40 40 GLU HA H 1 4.28 0.02 . 1 . . . . 40 GLU HA . 16517 1 451 . 1 1 40 40 GLU HB2 H 1 1.75 0.02 . 2 . . . . 40 GLU HB2 . 16517 1 452 . 1 1 40 40 GLU HB3 H 1 1.21 0.02 . 2 . . . . 40 GLU HB3 . 16517 1 453 . 1 1 40 40 GLU HG2 H 1 2.10 0.02 . 2 . . . . 40 GLU HG2 . 16517 1 454 . 1 1 40 40 GLU HG3 H 1 1.92 0.02 . 2 . . . . 40 GLU HG3 . 16517 1 455 . 1 1 40 40 GLU CA C 13 57.9 0.2 . 1 . . . . 40 GLU CA . 16517 1 456 . 1 1 40 40 GLU CB C 13 29.3 0.2 . 1 . . . . 40 GLU CB . 16517 1 457 . 1 1 40 40 GLU CG C 13 37.4 0.2 . 1 . . . . 40 GLU CG . 16517 1 458 . 1 1 40 40 GLU N N 15 117.6 0.2 . 1 . . . . 40 GLU N . 16517 1 459 . 1 1 41 41 GLY H H 1 7.47 0.02 . 1 . . . . 41 GLY H . 16517 1 460 . 1 1 41 41 GLY HA2 H 1 4.31 0.02 . 2 . . . . 41 GLY HA2 . 16517 1 461 . 1 1 41 41 GLY HA3 H 1 4.17 0.02 . 2 . . . . 41 GLY HA3 . 16517 1 462 . 1 1 41 41 GLY CA C 13 44.9 0.2 . 1 . . . . 41 GLY CA . 16517 1 463 . 1 1 41 41 GLY N N 15 106.3 0.2 . 1 . . . . 41 GLY N . 16517 1 464 . 1 1 42 42 LEU H H 1 8.29 0.2 . 1 . . . . 42 LEU H . 16517 1 465 . 1 1 42 42 LEU HA H 1 4.95 0.02 . 1 . . . . 42 LEU HA . 16517 1 466 . 1 1 42 42 LEU HB2 H 1 1.70 0.02 . 2 . . . . 42 LEU HB2 . 16517 1 467 . 1 1 42 42 LEU HB3 H 1 1.12 0.02 . 2 . . . . 42 LEU HB3 . 16517 1 468 . 1 1 42 42 LEU HD11 H 1 0.74 0.02 . 2 . . . . 42 LEU MD1 . 16517 1 469 . 1 1 42 42 LEU HD12 H 1 0.74 0.02 . 2 . . . . 42 LEU MD1 . 16517 1 470 . 1 1 42 42 LEU HD13 H 1 0.74 0.02 . 2 . . . . 42 LEU MD1 . 16517 1 471 . 1 1 42 42 LEU HD21 H 1 0.74 0.02 . 2 . . . . 42 LEU MD2 . 16517 1 472 . 1 1 42 42 LEU HD22 H 1 0.74 0.02 . 2 . . . . 42 LEU MD2 . 16517 1 473 . 1 1 42 42 LEU HD23 H 1 0.74 0.02 . 2 . . . . 42 LEU MD2 . 16517 1 474 . 1 1 42 42 LEU HG H 1 0.57 0.02 . 1 . . . . 42 LEU HG . 16517 1 475 . 1 1 42 42 LEU C C 13 173.8 0.2 . 1 . . . . 42 LEU C . 16517 1 476 . 1 1 42 42 LEU CA C 13 54.5 0.2 . 1 . . . . 42 LEU CA . 16517 1 477 . 1 1 42 42 LEU CB C 13 43.4 0.2 . 1 . . . . 42 LEU CB . 16517 1 478 . 1 1 42 42 LEU CD1 C 13 22.4 0.2 . 2 . . . . 42 LEU CD1 . 16517 1 479 . 1 1 42 42 LEU CD2 C 13 22.4 0.2 . 2 . . . . 42 LEU CD2 . 16517 1 480 . 1 1 42 42 LEU CG C 13 26.3 0.2 . 1 . . . . 42 LEU CG . 16517 1 481 . 1 1 42 42 LEU N N 15 121.0 0.2 . 1 . . . . 42 LEU N . 16517 1 482 . 1 1 43 43 ASP H H 1 8.52 0.02 . 1 . . . . 43 ASP H . 16517 1 483 . 1 1 43 43 ASP HA H 1 4.80 0.02 . 1 . . . . 43 ASP HA . 16517 1 484 . 1 1 43 43 ASP HB2 H 1 3.09 0.02 . 2 . . . . 43 ASP HB2 . 16517 1 485 . 1 1 43 43 ASP HB3 H 1 2.77 0.02 . 2 . . . . 43 ASP HB3 . 16517 1 486 . 1 1 43 43 ASP C C 13 175.4 0.2 . 1 . . . . 43 ASP C . 16517 1 487 . 1 1 43 43 ASP CA C 13 51.6 0.2 . 1 . . . . 43 ASP CA . 16517 1 488 . 1 1 43 43 ASP CB C 13 42.2 0.2 . 1 . . . . 43 ASP CB . 16517 1 489 . 1 1 43 43 ASP N N 15 124.8 0.2 . 1 . . . . 43 ASP N . 16517 1 490 . 1 1 44 44 ALA H H 1 8.64 0.02 . 1 . . . . 44 ALA H . 16517 1 491 . 1 1 44 44 ALA HA H 1 3.78 0.02 . 1 . . . . 44 ALA HA . 16517 1 492 . 1 1 44 44 ALA HB1 H 1 1.33 0.02 . 1 . . . . 44 ALA MB . 16517 1 493 . 1 1 44 44 ALA HB2 H 1 1.33 0.02 . 1 . . . . 44 ALA MB . 16517 1 494 . 1 1 44 44 ALA HB3 H 1 1.33 0.02 . 1 . . . . 44 ALA MB . 16517 1 495 . 1 1 44 44 ALA C C 13 178.1 0.2 . 1 . . . . 44 ALA C . 16517 1 496 . 1 1 44 44 ALA CA C 13 55.4 0.2 . 1 . . . . 44 ALA CA . 16517 1 497 . 1 1 44 44 ALA CB C 13 18.1 0.2 . 1 . . . . 44 ALA CB . 16517 1 498 . 1 1 44 44 ALA N N 15 122.4 0.2 . 1 . . . . 44 ALA N . 16517 1 499 . 1 1 45 45 GLU H H 1 8.24 0.02 . 1 . . . . 45 GLU H . 16517 1 500 . 1 1 45 45 GLU HA H 1 3.92 0.02 . 1 . . . . 45 GLU HA . 16517 1 501 . 1 1 45 45 GLU HB2 H 1 2.05 0.02 . 2 . . . . 45 GLU HB2 . 16517 1 502 . 1 1 45 45 GLU HB3 H 1 1.90 0.02 . 2 . . . . 45 GLU HB3 . 16517 1 503 . 1 1 45 45 GLU HG2 H 1 2.27 0.02 . 2 . . . . 45 GLU HG2 . 16517 1 504 . 1 1 45 45 GLU HG3 H 1 2.25 0.02 . 2 . . . . 45 GLU HG3 . 16517 1 505 . 1 1 45 45 GLU C C 13 179.3 0.2 . 1 . . . . 45 GLU C . 16517 1 506 . 1 1 45 45 GLU CA C 13 59.8 0.2 . 1 . . . . 45 GLU CA . 16517 1 507 . 1 1 45 45 GLU CB C 13 29.2 0.2 . 1 . . . . 45 GLU CB . 16517 1 508 . 1 1 45 45 GLU CG C 13 36.6 0.2 . 1 . . . . 45 GLU CG . 16517 1 509 . 1 1 45 45 GLU N N 15 115.6 0.2 . 1 . . . . 45 GLU N . 16517 1 510 . 1 1 46 46 THR H H 1 7.91 0.02 . 1 . . . . 46 THR H . 16517 1 511 . 1 1 46 46 THR HA H 1 3.50 0.02 . 1 . . . . 46 THR HA . 16517 1 512 . 1 1 46 46 THR HB H 1 3.88 0.02 . 1 . . . . 46 THR HB . 16517 1 513 . 1 1 46 46 THR HG21 H 1 0.30 0.02 . 1 . . . . 46 THR MG . 16517 1 514 . 1 1 46 46 THR HG22 H 1 0.30 0.02 . 1 . . . . 46 THR MG . 16517 1 515 . 1 1 46 46 THR HG23 H 1 0.30 0.02 . 1 . . . . 46 THR MG . 16517 1 516 . 1 1 46 46 THR C C 13 174.3 0.2 . 1 . . . . 46 THR C . 16517 1 517 . 1 1 46 46 THR CA C 13 66.6 0.2 . 1 . . . . 46 THR CA . 16517 1 518 . 1 1 46 46 THR CB C 13 67.7 0.2 . 1 . . . . 46 THR CB . 16517 1 519 . 1 1 46 46 THR CG2 C 13 21.5 0.2 . 1 . . . . 46 THR CG2 . 16517 1 520 . 1 1 46 46 THR N N 15 117.7 0.2 . 1 . . . . 46 THR N . 16517 1 521 . 1 1 47 47 LEU H H 1 7.71 0.02 . 1 . . . . 47 LEU H . 16517 1 522 . 1 1 47 47 LEU HA H 1 3.51 0.02 . 1 . . . . 47 LEU HA . 16517 1 523 . 1 1 47 47 LEU HB2 H 1 1.63 0.02 . 2 . . . . 47 LEU HB2 . 16517 1 524 . 1 1 47 47 LEU HB3 H 1 1.05 0.02 . 2 . . . . 47 LEU HB3 . 16517 1 525 . 1 1 47 47 LEU HD11 H 1 1.02 0.02 . 2 . . . . 47 LEU MD1 . 16517 1 526 . 1 1 47 47 LEU HD12 H 1 1.02 0.02 . 2 . . . . 47 LEU MD1 . 16517 1 527 . 1 1 47 47 LEU HD13 H 1 1.02 0.02 . 2 . . . . 47 LEU MD1 . 16517 1 528 . 1 1 47 47 LEU HD21 H 1 1.02 0.02 . 2 . . . . 47 LEU MD2 . 16517 1 529 . 1 1 47 47 LEU HD22 H 1 1.02 0.02 . 2 . . . . 47 LEU MD2 . 16517 1 530 . 1 1 47 47 LEU HD23 H 1 1.02 0.02 . 2 . . . . 47 LEU MD2 . 16517 1 531 . 1 1 47 47 LEU HG H 1 0.90 0.02 . 1 . . . . 47 LEU HG . 16517 1 532 . 1 1 47 47 LEU C C 13 178.0 0.2 . 1 . . . . 47 LEU C . 16517 1 533 . 1 1 47 47 LEU CA C 13 57.9 0.2 . 1 . . . . 47 LEU CA . 16517 1 534 . 1 1 47 47 LEU CB C 13 41.5 0.2 . 1 . . . . 47 LEU CB . 16517 1 535 . 1 1 47 47 LEU CD1 C 13 23.1 0.2 . 2 . . . . 47 LEU CD1 . 16517 1 536 . 1 1 47 47 LEU CD2 C 13 23.1 0.2 . 2 . . . . 47 LEU CD2 . 16517 1 537 . 1 1 47 47 LEU CG C 13 29.3 0.2 . 1 . . . . 47 LEU CG . 16517 1 538 . 1 1 47 47 LEU N N 15 120.4 0.2 . 1 . . . . 47 LEU N . 16517 1 539 . 1 1 48 48 ASP H H 1 9.00 0.02 . 1 . . . . 48 ASP H . 16517 1 540 . 1 1 48 48 ASP HA H 1 4.49 0.02 . 1 . . . . 48 ASP HA . 16517 1 541 . 1 1 48 48 ASP HB2 H 1 2.69 0.02 . 2 . . . . 48 ASP HB2 . 16517 1 542 . 1 1 48 48 ASP HB3 H 1 2.43 0.02 . 2 . . . . 48 ASP HB3 . 16517 1 543 . 1 1 48 48 ASP C C 13 179.1 0.2 . 1 . . . . 48 ASP C . 16517 1 544 . 1 1 48 48 ASP CA C 13 57.5 0.2 . 1 . . . . 48 ASP CA . 16517 1 545 . 1 1 48 48 ASP CB C 13 39.1 0.2 . 1 . . . . 48 ASP CB . 16517 1 546 . 1 1 48 48 ASP N N 15 116.8 0.2 . 1 . . . . 48 ASP N . 16517 1 547 . 1 1 49 49 ARG H H 1 7.56 0.02 . 1 . . . . 49 ARG H . 16517 1 548 . 1 1 49 49 ARG HA H 1 4.11 0.02 . 1 . . . . 49 ARG HA . 16517 1 549 . 1 1 49 49 ARG HB2 H 1 2.23 0.02 . 2 . . . . 49 ARG HB2 . 16517 1 550 . 1 1 49 49 ARG HB3 H 1 1.86 0.02 . 2 . . . . 49 ARG HB3 . 16517 1 551 . 1 1 49 49 ARG HD2 H 1 3.43 0.02 . 2 . . . . 49 ARG HD2 . 16517 1 552 . 1 1 49 49 ARG HD3 H 1 3.26 0.02 . 2 . . . . 49 ARG HD3 . 16517 1 553 . 1 1 49 49 ARG HG2 H 1 1.71 0.02 . 2 . . . . 49 ARG HG2 . 16517 1 554 . 1 1 49 49 ARG HG3 H 1 1.45 0.02 . 2 . . . . 49 ARG HG3 . 16517 1 555 . 1 1 49 49 ARG C C 13 180.1 0.2 . 1 . . . . 49 ARG C . 16517 1 556 . 1 1 49 49 ARG CA C 13 60.3 0.2 . 1 . . . . 49 ARG CA . 16517 1 557 . 1 1 49 49 ARG CB C 13 29.6 0.2 . 1 . . . . 49 ARG CB . 16517 1 558 . 1 1 49 49 ARG CD C 13 43.4 0.2 . 1 . . . . 49 ARG CD . 16517 1 559 . 1 1 49 49 ARG CG C 13 29.6 0.2 . 1 . . . . 49 ARG CG . 16517 1 560 . 1 1 49 49 ARG N N 15 122.1 0.2 . 1 . . . . 49 ARG N . 16517 1 561 . 1 1 50 50 PHE H H 1 8.30 0.02 . 1 . . . . 50 PHE H . 16517 1 562 . 1 1 50 50 PHE HA H 1 4.55 0.02 . 1 . . . . 50 PHE HA . 16517 1 563 . 1 1 50 50 PHE HB2 H 1 3.69 0.02 . 2 . . . . 50 PHE HB2 . 16517 1 564 . 1 1 50 50 PHE HB3 H 1 2.98 0.02 . 2 . . . . 50 PHE HB3 . 16517 1 565 . 1 1 50 50 PHE HD1 H 1 6.76 0.02 . 3 . . . . 50 PHE HD1 . 16517 1 566 . 1 1 50 50 PHE HD2 H 1 6.76 0.02 . 3 . . . . 50 PHE HD2 . 16517 1 567 . 1 1 50 50 PHE HE1 H 1 6.78 0.02 . 3 . . . . 50 PHE HE1 . 16517 1 568 . 1 1 50 50 PHE HE2 H 1 6.78 0.02 . 3 . . . . 50 PHE HE2 . 16517 1 569 . 1 1 50 50 PHE C C 13 178.4 0.2 . 1 . . . . 50 PHE C . 16517 1 570 . 1 1 50 50 PHE CA C 13 57.5 0.2 . 1 . . . . 50 PHE CA . 16517 1 571 . 1 1 50 50 PHE CB C 13 36.9 0.2 . 1 . . . . 50 PHE CB . 16517 1 572 . 1 1 50 50 PHE CD1 C 13 128.6 0.2 . 3 . . . . 50 PHE CD1 . 16517 1 573 . 1 1 50 50 PHE CD2 C 13 128.6 0.2 . 3 . . . . 50 PHE CD2 . 16517 1 574 . 1 1 50 50 PHE CE1 C 13 130.7 0.2 . 3 . . . . 50 PHE CE1 . 16517 1 575 . 1 1 50 50 PHE CE2 C 13 130.7 0.2 . 3 . . . . 50 PHE CE2 . 16517 1 576 . 1 1 50 50 PHE N N 15 122.1 0.2 . 1 . . . . 50 PHE N . 16517 1 577 . 1 1 51 51 LEU H H 1 8.46 0.02 . 1 . . . . 51 LEU H . 16517 1 578 . 1 1 51 51 LEU HB2 H 1 1.95 0.02 . 2 . . . . 51 LEU HB2 . 16517 1 579 . 1 1 51 51 LEU HB3 H 1 1.63 0.02 . 2 . . . . 51 LEU HB3 . 16517 1 580 . 1 1 51 51 LEU HD11 H 1 1.11 0.02 . 2 . . . . 51 LEU MD1 . 16517 1 581 . 1 1 51 51 LEU HD12 H 1 1.11 0.02 . 2 . . . . 51 LEU MD1 . 16517 1 582 . 1 1 51 51 LEU HD13 H 1 1.11 0.02 . 2 . . . . 51 LEU MD1 . 16517 1 583 . 1 1 51 51 LEU HD21 H 1 1.11 0.02 . 2 . . . . 51 LEU MD2 . 16517 1 584 . 1 1 51 51 LEU HD22 H 1 1.11 0.02 . 2 . . . . 51 LEU MD2 . 16517 1 585 . 1 1 51 51 LEU HD23 H 1 1.11 0.02 . 2 . . . . 51 LEU MD2 . 16517 1 586 . 1 1 51 51 LEU HG H 1 0.95 0.02 . 1 . . . . 51 LEU HG . 16517 1 587 . 1 1 51 51 LEU CA C 13 55.92 . . 1 . . . . 51 LEU CA . 16517 1 588 . 1 1 51 51 LEU CB C 13 42.4 0.2 . 1 . . . . 51 LEU CB . 16517 1 589 . 1 1 51 51 LEU CD1 C 13 23.9 0.2 . 2 . . . . 51 LEU CD1 . 16517 1 590 . 1 1 51 51 LEU CD2 C 13 23.9 0.2 . 2 . . . . 51 LEU CD2 . 16517 1 591 . 1 1 51 51 LEU CG C 13 26.0 0.2 . 1 . . . . 51 LEU CG . 16517 1 592 . 1 1 51 51 LEU N N 15 117.0 0.2 . 1 . . . . 51 LEU N . 16517 1 593 . 1 1 52 52 LYS H H 1 7.66 0.02 . 1 . . . . 52 LYS H . 16517 1 594 . 1 1 52 52 LYS HA H 1 4.18 0.02 . 1 . . . . 52 LYS HA . 16517 1 595 . 1 1 52 52 LYS HB2 H 1 2.12 0.02 . 2 . . . . 52 LYS HB2 . 16517 1 596 . 1 1 52 52 LYS HB3 H 1 2.01 0.02 . 2 . . . . 52 LYS HB3 . 16517 1 597 . 1 1 52 52 LYS HD2 H 1 1.75 0.02 . 2 . . . . 52 LYS HD2 . 16517 1 598 . 1 1 52 52 LYS HD3 H 1 1.75 0.02 . 2 . . . . 52 LYS HD3 . 16517 1 599 . 1 1 52 52 LYS HE2 H 1 3.02 0.02 . 2 . . . . 52 LYS HE2 . 16517 1 600 . 1 1 52 52 LYS HE3 H 1 3.02 0.02 . 2 . . . . 52 LYS HE3 . 16517 1 601 . 1 1 52 52 LYS HG2 H 1 1.82 0.02 . 2 . . . . 52 LYS HG2 . 16517 1 602 . 1 1 52 52 LYS HG3 H 1 1.58 0.02 . 2 . . . . 52 LYS HG3 . 16517 1 603 . 1 1 52 52 LYS C C 13 178.3 0.2 . 1 . . . . 52 LYS C . 16517 1 604 . 1 1 52 52 LYS CA C 13 58.7 0.2 . 1 . . . . 52 LYS CA . 16517 1 605 . 1 1 52 52 LYS CB C 13 32.7 0.2 . 1 . . . . 52 LYS CB . 16517 1 606 . 1 1 52 52 LYS CD C 13 29.2 0.2 . 1 . . . . 52 LYS CD . 16517 1 607 . 1 1 52 52 LYS CE C 13 42.2 0.2 . 1 . . . . 52 LYS CE . 16517 1 608 . 1 1 52 52 LYS CG C 13 25.3 0.2 . 1 . . . . 52 LYS CG . 16517 1 609 . 1 1 52 52 LYS N N 15 119.1 0.2 . 1 . . . . 52 LYS N . 16517 1 610 . 1 1 53 53 THR H H 1 7.43 0.02 . 1 . . . . 53 THR H . 16517 1 611 . 1 1 53 53 THR HA H 1 4.57 0.02 . 1 . . . . 53 THR HA . 16517 1 612 . 1 1 53 53 THR HB H 1 4.26 0.02 . 1 . . . . 53 THR HB . 16517 1 613 . 1 1 53 53 THR HG21 H 1 0.86 0.02 . 1 . . . . 53 THR MG . 16517 1 614 . 1 1 53 53 THR HG22 H 1 0.86 0.02 . 1 . . . . 53 THR MG . 16517 1 615 . 1 1 53 53 THR HG23 H 1 0.86 0.02 . 1 . . . . 53 THR MG . 16517 1 616 . 1 1 53 53 THR C C 13 173.8 0.2 . 1 . . . . 53 THR C . 16517 1 617 . 1 1 53 53 THR CA C 13 62.6 0.2 . 1 . . . . 53 THR CA . 16517 1 618 . 1 1 53 53 THR CB C 13 70.8 0.2 . 1 . . . . 53 THR CB . 16517 1 619 . 1 1 53 53 THR CG2 C 13 22.1 0.2 . 1 . . . . 53 THR CG2 . 16517 1 620 . 1 1 53 53 THR N N 15 107.4 0.2 . 1 . . . . 53 THR N . 16517 1 621 . 1 1 54 54 VAL H H 1 8.50 0.02 . 1 . . . . 54 VAL H . 16517 1 622 . 1 1 54 54 VAL HA H 1 4.54 0.02 . 1 . . . . 54 VAL HA . 16517 1 623 . 1 1 54 54 VAL HB H 1 1.90 0.02 . 1 . . . . 54 VAL HB . 16517 1 624 . 1 1 54 54 VAL HG11 H 1 0.79 0.02 . 2 . . . . 54 VAL MG1 . 16517 1 625 . 1 1 54 54 VAL HG12 H 1 0.79 0.02 . 2 . . . . 54 VAL MG1 . 16517 1 626 . 1 1 54 54 VAL HG13 H 1 0.79 0.02 . 2 . . . . 54 VAL MG1 . 16517 1 627 . 1 1 54 54 VAL HG21 H 1 0.79 0.02 . 2 . . . . 54 VAL MG2 . 16517 1 628 . 1 1 54 54 VAL HG22 H 1 0.79 0.02 . 2 . . . . 54 VAL MG2 . 16517 1 629 . 1 1 54 54 VAL HG23 H 1 0.79 0.02 . 2 . . . . 54 VAL MG2 . 16517 1 630 . 1 1 54 54 VAL C C 13 179.4 0.2 . 1 . . . . 54 VAL C . 16517 1 631 . 1 1 54 54 VAL CA C 13 59.1 0.2 . 1 . . . . 54 VAL CA . 16517 1 632 . 1 1 54 54 VAL CB C 13 33.5 0.2 . 1 . . . . 54 VAL CB . 16517 1 633 . 1 1 54 54 VAL CG1 C 13 21.1 0.2 . 2 . . . . 54 VAL CG1 . 16517 1 634 . 1 1 54 54 VAL CG2 C 13 21.1 0.2 . 2 . . . . 54 VAL CG2 . 16517 1 635 . 1 1 54 54 VAL N N 15 125.2 0.2 . 1 . . . . 54 VAL N . 16517 1 636 . 1 1 55 55 PRO HA H 1 4.59 0.02 . 1 . . . . 55 PRO HA . 16517 1 637 . 1 1 55 55 PRO HB2 H 1 2.38 0.02 . 2 . . . . 55 PRO HB2 . 16517 1 638 . 1 1 55 55 PRO HB3 H 1 1.82 0.02 . 2 . . . . 55 PRO HB3 . 16517 1 639 . 1 1 55 55 PRO HD2 H 1 3.80 0.02 . 2 . . . . 55 PRO HD2 . 16517 1 640 . 1 1 55 55 PRO HD3 H 1 3.51 0.02 . 2 . . . . 55 PRO HD3 . 16517 1 641 . 1 1 55 55 PRO HG2 H 1 1.97 0.02 . 2 . . . . 55 PRO HG2 . 16517 1 642 . 1 1 55 55 PRO HG3 H 1 1.85 0.02 . 2 . . . . 55 PRO HG3 . 16517 1 643 . 1 1 55 55 PRO C C 13 179.4 0.2 . 1 . . . . 55 PRO C . 16517 1 644 . 1 1 55 55 PRO CA C 13 62.1 0.2 . 1 . . . . 55 PRO CA . 16517 1 645 . 1 1 55 55 PRO CB C 13 32.9 0.2 . 1 . . . . 55 PRO CB . 16517 1 646 . 1 1 55 55 PRO CD C 13 50.7 0.2 . 1 . . . . 55 PRO CD . 16517 1 647 . 1 1 55 55 PRO CG C 13 27.9 0.2 . 1 . . . . 55 PRO CG . 16517 1 648 . 1 1 56 56 TRP H H 1 8.69 0.02 . 1 . . . . 56 TRP H . 16517 1 649 . 1 1 56 56 TRP HA H 1 3.99 0.02 . 1 . . . . 56 TRP HA . 16517 1 650 . 1 1 56 56 TRP HB2 H 1 3.31 0.02 . 2 . . . . 56 TRP HB2 . 16517 1 651 . 1 1 56 56 TRP HB3 H 1 3.12 0.02 . 2 . . . . 56 TRP HB3 . 16517 1 652 . 1 1 56 56 TRP HD1 H 1 7.54 0.02 . 1 . . . . 56 TRP HD1 . 16517 1 653 . 1 1 56 56 TRP HE1 H 1 10.08 0.02 . 1 . . . . 56 TRP HE1 . 16517 1 654 . 1 1 56 56 TRP HH2 H 1 6.96 0.02 . 1 . . . . 56 TRP HH2 . 16517 1 655 . 1 1 56 56 TRP HZ2 H 1 7.41 0.02 . 1 . . . . 56 TRP HZ2 . 16517 1 656 . 1 1 56 56 TRP HZ3 H 1 6.57 0.02 . 1 . . . . 56 TRP HZ3 . 16517 1 657 . 1 1 56 56 TRP C C 13 177.5 0.2 . 1 . . . . 56 TRP C . 16517 1 658 . 1 1 56 56 TRP CA C 13 61.0 0.2 . 1 . . . . 56 TRP CA . 16517 1 659 . 1 1 56 56 TRP CB C 13 27.4 0.2 . 1 . . . . 56 TRP CB . 16517 1 660 . 1 1 56 56 TRP CD1 C 13 128.0 0.2 . 1 . . . . 56 TRP CD1 . 16517 1 661 . 1 1 56 56 TRP CH2 C 13 124.5 0.2 . 1 . . . . 56 TRP CH2 . 16517 1 662 . 1 1 56 56 TRP CZ2 C 13 114.4 0.2 . 1 . . . . 56 TRP CZ2 . 16517 1 663 . 1 1 56 56 TRP CZ3 C 13 120.7 0.2 . 1 . . . . 56 TRP CZ3 . 16517 1 664 . 1 1 56 56 TRP N N 15 122.5 0.2 . 1 . . . . 56 TRP N . 16517 1 665 . 1 1 56 56 TRP NE1 N 15 129.8 0.2 . 1 . . . . 56 TRP NE1 . 16517 1 666 . 1 1 57 57 GLU H H 1 8.41 0.02 . 1 . . . . 57 GLU H . 16517 1 667 . 1 1 57 57 GLU HA H 1 3.27 0.02 . 1 . . . . 57 GLU HA . 16517 1 668 . 1 1 57 57 GLU HB2 H 1 1.20 0.02 . 2 . . . . 57 GLU HB2 . 16517 1 669 . 1 1 57 57 GLU HB3 H 1 1.20 0.02 . 2 . . . . 57 GLU HB3 . 16517 1 670 . 1 1 57 57 GLU HG2 H 1 1.39 0.02 . 2 . . . . 57 GLU HG2 . 16517 1 671 . 1 1 57 57 GLU HG3 H 1 0.38 0.02 . 2 . . . . 57 GLU HG3 . 16517 1 672 . 1 1 57 57 GLU C C 13 178.0 0.2 . 1 . . . . 57 GLU C . 16517 1 673 . 1 1 57 57 GLU CA C 13 60.2 0.2 . 1 . . . . 57 GLU CA . 16517 1 674 . 1 1 57 57 GLU CB C 13 28.2 0.2 . 1 . . . . 57 GLU CB . 16517 1 675 . 1 1 57 57 GLU CG C 13 35.0 0.2 . 1 . . . . 57 GLU CG . 16517 1 676 . 1 1 57 57 GLU N N 15 120.6 0.2 . 1 . . . . 57 GLU N . 16517 1 677 . 1 1 58 58 GLN H H 1 7.60 0.02 . 1 . . . . 58 GLN H . 16517 1 678 . 1 1 58 58 GLN HA H 1 4.17 0.02 . 1 . . . . 58 GLN HA . 16517 1 679 . 1 1 58 58 GLN HB2 H 1 2.06 0.02 . 2 . . . . 58 GLN HB2 . 16517 1 680 . 1 1 58 58 GLN HB3 H 1 1.83 0.02 . 2 . . . . 58 GLN HB3 . 16517 1 681 . 1 1 58 58 GLN HG2 H 1 2.24 0.02 . 2 . . . . 58 GLN HG2 . 16517 1 682 . 1 1 58 58 GLN HG3 H 1 2.24 0.02 . 2 . . . . 58 GLN HG3 . 16517 1 683 . 1 1 58 58 GLN C C 13 175.5 0.2 . 1 . . . . 58 GLN C . 16517 1 684 . 1 1 58 58 GLN CA C 13 56.0 0.2 . 1 . . . . 58 GLN CA . 16517 1 685 . 1 1 58 58 GLN CB C 13 29.6 0.2 . 1 . . . . 58 GLN CB . 16517 1 686 . 1 1 58 58 GLN CG C 13 34.1 0.2 . 1 . . . . 58 GLN CG . 16517 1 687 . 1 1 58 58 GLN N N 15 114.7 0.2 . 1 . . . . 58 GLN N . 16517 1 688 . 1 1 59 59 LEU H H 1 7.44 0.02 . 1 . . . . 59 LEU H . 16517 1 689 . 1 1 59 59 LEU HA H 1 4.22 0.02 . 1 . . . . 59 LEU HA . 16517 1 690 . 1 1 59 59 LEU HB2 H 1 1.60 0.02 . 2 . . . . 59 LEU HB2 . 16517 1 691 . 1 1 59 59 LEU HB3 H 1 1.42 0.02 . 2 . . . . 59 LEU HB3 . 16517 1 692 . 1 1 59 59 LEU HD11 H 1 0.81 0.02 . 2 . . . . 59 LEU MD1 . 16517 1 693 . 1 1 59 59 LEU HD12 H 1 0.81 0.02 . 2 . . . . 59 LEU MD1 . 16517 1 694 . 1 1 59 59 LEU HD13 H 1 0.81 0.02 . 2 . . . . 59 LEU MD1 . 16517 1 695 . 1 1 59 59 LEU HD21 H 1 0.81 0.02 . 2 . . . . 59 LEU MD2 . 16517 1 696 . 1 1 59 59 LEU HD22 H 1 0.81 0.02 . 2 . . . . 59 LEU MD2 . 16517 1 697 . 1 1 59 59 LEU HD23 H 1 0.81 0.02 . 2 . . . . 59 LEU MD2 . 16517 1 698 . 1 1 59 59 LEU HG H 1 0.81 0.02 . 1 . . . . 59 LEU HG . 16517 1 699 . 1 1 59 59 LEU C C 13 175.1 0.2 . 1 . . . . 59 LEU C . 16517 1 700 . 1 1 59 59 LEU CA C 13 55.6 0.2 . 1 . . . . 59 LEU CA . 16517 1 701 . 1 1 59 59 LEU CB C 13 44.7 0.2 . 1 . . . . 59 LEU CB . 16517 1 702 . 1 1 59 59 LEU CD1 C 13 24.8 0.2 . 2 . . . . 59 LEU CD1 . 16517 1 703 . 1 1 59 59 LEU CD2 C 13 24.8 0.2 . 2 . . . . 59 LEU CD2 . 16517 1 704 . 1 1 59 59 LEU CG C 13 25.9 0.2 . 1 . . . . 59 LEU CG . 16517 1 705 . 1 1 59 59 LEU N N 15 119.5 0.2 . 1 . . . . 59 LEU N . 16517 1 706 . 1 1 60 60 LEU H H 1 8.12 0.02 . 1 . . . . 60 LEU H . 16517 1 707 . 1 1 60 60 LEU HA H 1 4.41 0.02 . 1 . . . . 60 LEU HA . 16517 1 708 . 1 1 60 60 LEU HB2 H 1 2.07 0.02 . 2 . . . . 60 LEU HB2 . 16517 1 709 . 1 1 60 60 LEU HB3 H 1 1.53 0.02 . 2 . . . . 60 LEU HB3 . 16517 1 710 . 1 1 60 60 LEU HD11 H 1 0.99 0.02 . 2 . . . . 60 LEU MD1 . 16517 1 711 . 1 1 60 60 LEU HD12 H 1 0.99 0.02 . 2 . . . . 60 LEU MD1 . 16517 1 712 . 1 1 60 60 LEU HD13 H 1 0.99 0.02 . 2 . . . . 60 LEU MD1 . 16517 1 713 . 1 1 60 60 LEU HD21 H 1 0.99 0.02 . 2 . . . . 60 LEU MD2 . 16517 1 714 . 1 1 60 60 LEU HD22 H 1 0.99 0.02 . 2 . . . . 60 LEU MD2 . 16517 1 715 . 1 1 60 60 LEU HD23 H 1 0.99 0.02 . 2 . . . . 60 LEU MD2 . 16517 1 716 . 1 1 60 60 LEU HG H 1 0.90 0.02 . 1 . . . . 60 LEU HG . 16517 1 717 . 1 1 60 60 LEU C C 13 176.1 0.2 . 1 . . . . 60 LEU C . 16517 1 718 . 1 1 60 60 LEU CA C 13 55.4 0.2 . 1 . . . . 60 LEU CA . 16517 1 719 . 1 1 60 60 LEU CB C 13 42.9 0.2 . 1 . . . . 60 LEU CB . 16517 1 720 . 1 1 60 60 LEU CD1 C 13 24.2 0.2 . 2 . . . . 60 LEU CD1 . 16517 1 721 . 1 1 60 60 LEU CD2 C 13 24.2 0.2 . 2 . . . . 60 LEU CD2 . 16517 1 722 . 1 1 60 60 LEU CG C 13 27.2 0.2 . 1 . . . . 60 LEU CG . 16517 1 723 . 1 1 60 60 LEU N N 15 119.3 0.2 . 1 . . . . 60 LEU N . 16517 1 724 . 1 1 61 61 ASN H H 1 9.12 0.02 . 1 . . . . 61 ASN H . 16517 1 725 . 1 1 61 61 ASN HB2 H 1 3.28 0.02 . 2 . . . . 61 ASN HB2 . 16517 1 726 . 1 1 61 61 ASN HB3 H 1 2.21 0.02 . 2 . . . . 61 ASN HB3 . 16517 1 727 . 1 1 61 61 ASN HD21 H 1 7.98 0.02 . 2 . . . . 61 ASN HD21 . 16517 1 728 . 1 1 61 61 ASN HD22 H 1 7.32 0.02 . 2 . . . . 61 ASN HD22 . 16517 1 729 . 1 1 61 61 ASN C C 13 175.6 0.2 . 1 . . . . 61 ASN C . 16517 1 730 . 1 1 61 61 ASN CA C 13 51.3 0.2 . 1 . . . . 61 ASN CA . 16517 1 731 . 1 1 61 61 ASN CB C 13 36.8 0.2 . 1 . . . . 61 ASN CB . 16517 1 732 . 1 1 61 61 ASN N N 15 124.9 0.2 . 1 . . . . 61 ASN N . 16517 1 733 . 1 1 61 61 ASN ND2 N 15 111.7 0.2 . 1 . . . . 61 ASN ND2 . 16517 1 734 . 1 1 62 62 ARG H H 1 8.14 0.02 . 1 . . . . 62 ARG H . 16517 1 735 . 1 1 62 62 ARG HA H 1 3.45 0.02 . 1 . . . . 62 ARG HA . 16517 1 736 . 1 1 62 62 ARG HB2 H 1 1.62 0.02 . 2 . . . . 62 ARG HB2 . 16517 1 737 . 1 1 62 62 ARG HB3 H 1 1.49 0.02 . 2 . . . . 62 ARG HB3 . 16517 1 738 . 1 1 62 62 ARG HD2 H 1 3.04 0.02 . 2 . . . . 62 ARG HD2 . 16517 1 739 . 1 1 62 62 ARG HD3 H 1 3.04 0.02 . 2 . . . . 62 ARG HD3 . 16517 1 740 . 1 1 62 62 ARG HG2 H 1 1.13 0.02 . 2 . . . . 62 ARG HG2 . 16517 1 741 . 1 1 62 62 ARG HG3 H 1 -0.08 0.02 . 2 . . . . 62 ARG HG3 . 16517 1 742 . 1 1 62 62 ARG C C 13 175.2 0.2 . 1 . . . . 62 ARG C . 16517 1 743 . 1 1 62 62 ARG CA C 13 57.6 0.2 . 1 . . . . 62 ARG CA . 16517 1 744 . 1 1 62 62 ARG CB C 13 30.2 0.2 . 1 . . . . 62 ARG CB . 16517 1 745 . 1 1 62 62 ARG CD C 13 44.2 0.2 . 1 . . . . 62 ARG CD . 16517 1 746 . 1 1 62 62 ARG CG C 13 28.1 0.2 . 1 . . . . 62 ARG CG . 16517 1 747 . 1 1 62 62 ARG N N 15 125.5 0.2 . 1 . . . . 62 ARG N . 16517 1 748 . 1 1 63 63 ALA H H 1 7.61 0.2 . 1 . . . . 63 ALA H . 16517 1 749 . 1 1 63 63 ALA HA H 1 4.46 0.02 . 1 . . . . 63 ALA HA . 16517 1 750 . 1 1 63 63 ALA HB1 H 1 1.47 0.02 . 1 . . . . 63 ALA MB . 16517 1 751 . 1 1 63 63 ALA HB2 H 1 1.47 0.02 . 1 . . . . 63 ALA MB . 16517 1 752 . 1 1 63 63 ALA HB3 H 1 1.47 0.02 . 1 . . . . 63 ALA MB . 16517 1 753 . 1 1 63 63 ALA C C 13 178.3 0.2 . 1 . . . . 63 ALA C . 16517 1 754 . 1 1 63 63 ALA CA C 13 51.8 0.2 . 1 . . . . 63 ALA CA . 16517 1 755 . 1 1 63 63 ALA CB C 13 19.3 0.2 . 1 . . . . 63 ALA CB . 16517 1 756 . 1 1 63 63 ALA N N 15 118.6 0.2 . 1 . . . . 63 ALA N . 16517 1 757 . 1 1 64 64 GLY H H 1 7.15 0.02 . 1 . . . . 64 GLY H . 16517 1 758 . 1 1 64 64 GLY HA2 H 1 4.41 0.02 . 2 . . . . 64 GLY HA2 . 16517 1 759 . 1 1 64 64 GLY HA3 H 1 4.02 0.02 . 2 . . . . 64 GLY HA3 . 16517 1 760 . 1 1 64 64 GLY C C 13 173.5 0.2 . 1 . . . . 64 GLY C . 16517 1 761 . 1 1 64 64 GLY CA C 13 45.4 0.2 . 1 . . . . 64 GLY CA . 16517 1 762 . 1 1 64 64 GLY N N 15 105.7 0.2 . 1 . . . . 64 GLY N . 16517 1 763 . 1 1 65 65 THR H H 1 8.34 0.02 . 1 . . . . 65 THR H . 16517 1 764 . 1 1 65 65 THR HA H 1 3.88 0.02 . 1 . . . . 65 THR HA . 16517 1 765 . 1 1 65 65 THR HB H 1 4.19 0.02 . 1 . . . . 65 THR HB . 16517 1 766 . 1 1 65 65 THR HG21 H 1 1.34 0.02 . 1 . . . . 65 THR MG . 16517 1 767 . 1 1 65 65 THR HG22 H 1 1.34 0.02 . 1 . . . . 65 THR MG . 16517 1 768 . 1 1 65 65 THR HG23 H 1 1.34 0.02 . 1 . . . . 65 THR MG . 16517 1 769 . 1 1 65 65 THR C C 13 176.3 0.2 . 1 . . . . 65 THR C . 16517 1 770 . 1 1 65 65 THR CA C 13 65.5 0.2 . 1 . . . . 65 THR CA . 16517 1 771 . 1 1 65 65 THR CB C 13 69.0 0.2 . 1 . . . . 65 THR CB . 16517 1 772 . 1 1 65 65 THR CG2 C 13 22.3 0.2 . 1 . . . . 65 THR CG2 . 16517 1 773 . 1 1 65 65 THR N N 15 113.4 0.2 . 1 . . . . 65 THR N . 16517 1 774 . 1 1 66 66 THR H H 1 7.94 0.02 . 1 . . . . 66 THR H . 16517 1 775 . 1 1 66 66 THR HA H 1 3.82 0.02 . 1 . . . . 66 THR HA . 16517 1 776 . 1 1 66 66 THR HB H 1 4.01 0.02 . 1 . . . . 66 THR HB . 16517 1 777 . 1 1 66 66 THR HG21 H 1 1.26 0.02 . 1 . . . . 66 THR MG . 16517 1 778 . 1 1 66 66 THR HG22 H 1 1.26 0.02 . 1 . . . . 66 THR MG . 16517 1 779 . 1 1 66 66 THR HG23 H 1 1.26 0.02 . 1 . . . . 66 THR MG . 16517 1 780 . 1 1 66 66 THR C C 13 176.1 0.2 . 1 . . . . 66 THR C . 16517 1 781 . 1 1 66 66 THR CA C 13 67.0 0.2 . 1 . . . . 66 THR CA . 16517 1 782 . 1 1 66 66 THR CB C 13 68.0 0.2 . 1 . . . . 66 THR CB . 16517 1 783 . 1 1 66 66 THR CG2 C 13 23.0 0.2 . 1 . . . . 66 THR CG2 . 16517 1 784 . 1 1 66 66 THR N N 15 116.2 0.2 . 1 . . . . 66 THR N . 16517 1 785 . 1 1 67 67 PHE H H 1 8.72 0.02 . 1 . . . . 67 PHE H . 16517 1 786 . 1 1 67 67 PHE HA H 1 4.13 0.02 . 1 . . . . 67 PHE HA . 16517 1 787 . 1 1 67 67 PHE HB2 H 1 3.17 0.02 . 2 . . . . 67 PHE HB2 . 16517 1 788 . 1 1 67 67 PHE HB3 H 1 2.98 0.02 . 2 . . . . 67 PHE HB3 . 16517 1 789 . 1 1 67 67 PHE HD1 H 1 7.42 0.02 . 3 . . . . 67 PHE HD1 . 16517 1 790 . 1 1 67 67 PHE HD2 H 1 7.42 0.02 . 3 . . . . 67 PHE HD2 . 16517 1 791 . 1 1 67 67 PHE HE1 H 1 7.28 0.02 . 3 . . . . 67 PHE HE1 . 16517 1 792 . 1 1 67 67 PHE HE2 H 1 7.28 0.02 . 3 . . . . 67 PHE HE2 . 16517 1 793 . 1 1 67 67 PHE C C 13 176.9 0.2 . 1 . . . . 67 PHE C . 16517 1 794 . 1 1 67 67 PHE CA C 13 61.5 0.2 . 1 . . . . 67 PHE CA . 16517 1 795 . 1 1 67 67 PHE CB C 13 39.8 0.2 . 1 . . . . 67 PHE CB . 16517 1 796 . 1 1 67 67 PHE CD1 C 13 133.6 0.2 . 3 . . . . 67 PHE CD1 . 16517 1 797 . 1 1 67 67 PHE CD2 C 13 133.6 0.2 . 3 . . . . 67 PHE CD2 . 16517 1 798 . 1 1 67 67 PHE CE1 C 13 130.6 0.2 . 3 . . . . 67 PHE CE1 . 16517 1 799 . 1 1 67 67 PHE CE2 C 13 130.6 0.2 . 3 . . . . 67 PHE CE2 . 16517 1 800 . 1 1 67 67 PHE N N 15 122.4 0.2 . 1 . . . . 67 PHE N . 16517 1 801 . 1 1 68 68 ARG H H 1 7.75 0.02 . 1 . . . . 68 ARG H . 16517 1 802 . 1 1 68 68 ARG HA H 1 3.79 0.02 . 1 . . . . 68 ARG HA . 16517 1 803 . 1 1 68 68 ARG HB2 H 1 1.98 0.02 . 2 . . . . 68 ARG HB2 . 16517 1 804 . 1 1 68 68 ARG HB3 H 1 1.85 0.02 . 2 . . . . 68 ARG HB3 . 16517 1 805 . 1 1 68 68 ARG HD2 H 1 3.22 0.02 . 2 . . . . 68 ARG HD2 . 16517 1 806 . 1 1 68 68 ARG HD3 H 1 3.18 0.02 . 2 . . . . 68 ARG HD3 . 16517 1 807 . 1 1 68 68 ARG HG2 H 1 2.10 0.02 . 2 . . . . 68 ARG HG2 . 16517 1 808 . 1 1 68 68 ARG HG3 H 1 1.77 0.02 . 2 . . . . 68 ARG HG3 . 16517 1 809 . 1 1 68 68 ARG C C 13 176.8 0.2 . 1 . . . . 68 ARG C . 16517 1 810 . 1 1 68 68 ARG CA C 13 59.2 0.2 . 1 . . . . 68 ARG CA . 16517 1 811 . 1 1 68 68 ARG CB C 13 30.2 0.2 . 1 . . . . 68 ARG CB . 16517 1 812 . 1 1 68 68 ARG CD C 13 43.7 0.2 . 1 . . . . 68 ARG CD . 16517 1 813 . 1 1 68 68 ARG CG C 13 28.9 0.2 . 1 . . . . 68 ARG CG . 16517 1 814 . 1 1 68 68 ARG N N 15 114.4 0.2 . 1 . . . . 68 ARG N . 16517 1 815 . 1 1 69 69 LYS H H 1 7.36 0.02 . 1 . . . . 69 LYS H . 16517 1 816 . 1 1 69 69 LYS HA H 1 4.19 0.02 . 1 . . . . 69 LYS HA . 16517 1 817 . 1 1 69 69 LYS HB2 H 1 1.95 0.02 . 2 . . . . 69 LYS HB2 . 16517 1 818 . 1 1 69 69 LYS HB3 H 1 1.85 0.02 . 2 . . . . 69 LYS HB3 . 16517 1 819 . 1 1 69 69 LYS C C 13 177.4 0.2 . 1 . . . . 69 LYS C . 16517 1 820 . 1 1 69 69 LYS CA C 13 56.7 0.2 . 1 . . . . 69 LYS CA . 16517 1 821 . 1 1 69 69 LYS CB C 13 33.0 0.2 . 1 . . . . 69 LYS CB . 16517 1 822 . 1 1 69 69 LYS CD C 13 29.1 0.2 . 1 . . . . 69 LYS CD . 16517 1 823 . 1 1 69 69 LYS CE C 13 42.0 0.2 . 1 . . . . 69 LYS CE . 16517 1 824 . 1 1 69 69 LYS CG C 13 25.3 0.2 . 1 . . . . 69 LYS CG . 16517 1 825 . 1 1 69 69 LYS N N 15 115.6 0.2 . 1 . . . . 69 LYS N . 16517 1 826 . 1 1 70 70 LEU H H 1 7.44 0.02 . 1 . . . . 70 LEU H . 16517 1 827 . 1 1 70 70 LEU HA H 1 4.35 0.02 . 1 . . . . 70 LEU HA . 16517 1 828 . 1 1 70 70 LEU HB2 H 1 1.51 0.02 . 2 . . . . 70 LEU HB2 . 16517 1 829 . 1 1 70 70 LEU HB3 H 1 0.98 0.02 . 2 . . . . 70 LEU HB3 . 16517 1 830 . 1 1 70 70 LEU CA C 13 53.8 0.2 . 1 . . . . 70 LEU CA . 16517 1 831 . 1 1 70 70 LEU CB C 13 41.0 0.2 . 1 . . . . 70 LEU CB . 16517 1 832 . 1 1 70 70 LEU N N 15 121.4 0.2 . 1 . . . . 70 LEU N . 16517 1 833 . 1 1 71 71 PRO HA H 1 4.46 0.02 . 1 . . . . 71 PRO HA . 16517 1 834 . 1 1 71 71 PRO HB2 H 1 2.50 0.02 . 2 . . . . 71 PRO HB2 . 16517 1 835 . 1 1 71 71 PRO HB3 H 1 1.94 0.02 . 2 . . . . 71 PRO HB3 . 16517 1 836 . 1 1 71 71 PRO HD2 H 1 3.92 0.02 . 2 . . . . 71 PRO HD2 . 16517 1 837 . 1 1 71 71 PRO HD3 H 1 3.31 0.02 . 2 . . . . 71 PRO HD3 . 16517 1 838 . 1 1 71 71 PRO HG2 H 1 2.14 0.02 . 2 . . . . 71 PRO HG2 . 16517 1 839 . 1 1 71 71 PRO HG3 H 1 2.11 0.02 . 2 . . . . 71 PRO HG3 . 16517 1 840 . 1 1 71 71 PRO C C 13 177.5 0.2 . 1 . . . . 71 PRO C . 16517 1 841 . 1 1 71 71 PRO CA C 13 62.8 0.2 . 1 . . . . 71 PRO CA . 16517 1 842 . 1 1 71 71 PRO CB C 13 32.6 0.2 . 1 . . . . 71 PRO CB . 16517 1 843 . 1 1 71 71 PRO CD C 13 50.3 0.2 . 1 . . . . 71 PRO CD . 16517 1 844 . 1 1 71 71 PRO CG C 13 28.0 0.2 . 1 . . . . 71 PRO CG . 16517 1 845 . 1 1 72 72 GLU H H 1 9.01 0.02 . 1 . . . . 72 GLU H . 16517 1 846 . 1 1 72 72 GLU HA H 1 3.65 0.02 . 1 . . . . 72 GLU HA . 16517 1 847 . 1 1 72 72 GLU HB2 H 1 2.10 0.02 . 2 . . . . 72 GLU HB2 . 16517 1 848 . 1 1 72 72 GLU HB3 H 1 2.03 0.02 . 2 . . . . 72 GLU HB3 . 16517 1 849 . 1 1 72 72 GLU HG2 H 1 2.29 0.02 . 2 . . . . 72 GLU HG2 . 16517 1 850 . 1 1 72 72 GLU HG3 H 1 2.29 0.02 . 2 . . . . 72 GLU HG3 . 16517 1 851 . 1 1 72 72 GLU C C 13 177.6 0.2 . 1 . . . . 72 GLU C . 16517 1 852 . 1 1 72 72 GLU CA C 13 60.5 0.2 . 1 . . . . 72 GLU CA . 16517 1 853 . 1 1 72 72 GLU CB C 13 29.9 0.2 . 1 . . . . 72 GLU CB . 16517 1 854 . 1 1 72 72 GLU CG C 13 36.2 0.2 . 1 . . . . 72 GLU CG . 16517 1 855 . 1 1 72 72 GLU N N 15 124.1 0.2 . 1 . . . . 72 GLU N . 16517 1 856 . 1 1 73 73 ASP H H 1 8.86 0.02 . 1 . . . . 73 ASP H . 16517 1 857 . 1 1 73 73 ASP HA H 1 4.29 0.02 . 1 . . . . 73 ASP HA . 16517 1 858 . 1 1 73 73 ASP HB2 H 1 2.66 0.02 . 2 . . . . 73 ASP HB2 . 16517 1 859 . 1 1 73 73 ASP HB3 H 1 2.60 0.02 . 2 . . . . 73 ASP HB3 . 16517 1 860 . 1 1 73 73 ASP C C 13 177.6 0.2 . 1 . . . . 73 ASP C . 16517 1 861 . 1 1 73 73 ASP CA C 13 56.7 0.2 . 1 . . . . 73 ASP CA . 16517 1 862 . 1 1 73 73 ASP CB C 13 39.3 0.2 . 1 . . . . 73 ASP CB . 16517 1 863 . 1 1 73 73 ASP N N 15 116.2 0.2 . 1 . . . . 73 ASP N . 16517 1 864 . 1 1 74 74 VAL H H 1 7.12 0.02 . 1 . . . . 74 VAL H . 16517 1 865 . 1 1 74 74 VAL HA H 1 3.74 0.02 . 1 . . . . 74 VAL HA . 16517 1 866 . 1 1 74 74 VAL HB H 1 1.99 0.02 . 1 . . . . 74 VAL HB . 16517 1 867 . 1 1 74 74 VAL HG11 H 1 0.99 0.02 . 2 . . . . 74 VAL MG1 . 16517 1 868 . 1 1 74 74 VAL HG12 H 1 0.99 0.02 . 2 . . . . 74 VAL MG1 . 16517 1 869 . 1 1 74 74 VAL HG13 H 1 0.99 0.02 . 2 . . . . 74 VAL MG1 . 16517 1 870 . 1 1 74 74 VAL HG21 H 1 0.90 0.02 . 2 . . . . 74 VAL MG2 . 16517 1 871 . 1 1 74 74 VAL HG22 H 1 0.90 0.02 . 2 . . . . 74 VAL MG2 . 16517 1 872 . 1 1 74 74 VAL HG23 H 1 0.90 0.02 . 2 . . . . 74 VAL MG2 . 16517 1 873 . 1 1 74 74 VAL C C 13 178.2 0.2 . 1 . . . . 74 VAL C . 16517 1 874 . 1 1 74 74 VAL CA C 13 65.0 0.2 . 1 . . . . 74 VAL CA . 16517 1 875 . 1 1 74 74 VAL CB C 13 32.1 0.2 . 1 . . . . 74 VAL CB . 16517 1 876 . 1 1 74 74 VAL CG1 C 13 21.9 0.2 . 2 . . . . 74 VAL CG1 . 16517 1 877 . 1 1 74 74 VAL CG2 C 13 21.6 0.2 . 2 . . . . 74 VAL CG2 . 16517 1 878 . 1 1 74 74 VAL N N 15 120.4 0.2 . 1 . . . . 74 VAL N . 16517 1 879 . 1 1 75 75 ARG H H 1 7.70 0.02 . 1 . . . . 75 ARG H . 16517 1 880 . 1 1 75 75 ARG HA H 1 3.79 0.02 . 1 . . . . 75 ARG HA . 16517 1 881 . 1 1 75 75 ARG HB2 H 1 1.75 0.02 . 2 . . . . 75 ARG HB2 . 16517 1 882 . 1 1 75 75 ARG HB3 H 1 1.75 0.02 . 2 . . . . 75 ARG HB3 . 16517 1 883 . 1 1 75 75 ARG HD2 H 1 3.28 0.02 . 2 . . . . 75 ARG HD2 . 16517 1 884 . 1 1 75 75 ARG HD3 H 1 2.91 0.02 . 2 . . . . 75 ARG HD3 . 16517 1 885 . 1 1 75 75 ARG HG2 H 1 1.27 0.02 . 2 . . . . 75 ARG HG2 . 16517 1 886 . 1 1 75 75 ARG HG3 H 1 0.64 0.02 . 2 . . . . 75 ARG HG3 . 16517 1 887 . 1 1 75 75 ARG C C 13 178.5 0.2 . 1 . . . . 75 ARG C . 16517 1 888 . 1 1 75 75 ARG CA C 13 59.6 0.2 . 1 . . . . 75 ARG CA . 16517 1 889 . 1 1 75 75 ARG CB C 13 31.1 0.2 . 1 . . . . 75 ARG CB . 16517 1 890 . 1 1 75 75 ARG CD C 13 43.2 0.2 . 1 . . . . 75 ARG CD . 16517 1 891 . 1 1 75 75 ARG CG C 13 28.7 0.2 . 1 . . . . 75 ARG CG . 16517 1 892 . 1 1 75 75 ARG N N 15 115.9 0.2 . 1 . . . . 75 ARG N . 16517 1 893 . 1 1 76 76 SER H H 1 8.26 0.02 . 1 . . . . 76 SER H . 16517 1 894 . 1 1 76 76 SER HA H 1 4.38 0.02 . 1 . . . . 76 SER HA . 16517 1 895 . 1 1 76 76 SER HB2 H 1 3.97 0.02 . 2 . . . . 76 SER HB2 . 16517 1 896 . 1 1 76 76 SER HB3 H 1 3.97 0.02 . 2 . . . . 76 SER HB3 . 16517 1 897 . 1 1 76 76 SER C C 13 174.7 0.2 . 1 . . . . 76 SER C . 16517 1 898 . 1 1 76 76 SER CA C 13 60.5 0.2 . 1 . . . . 76 SER CA . 16517 1 899 . 1 1 76 76 SER CB C 13 63.5 0.2 . 1 . . . . 76 SER CB . 16517 1 900 . 1 1 76 76 SER N N 15 111.8 0.2 . 1 . . . . 76 SER N . 16517 1 901 . 1 1 77 77 ASN H H 1 7.38 0.02 . 1 . . . . 77 ASN H . 16517 1 902 . 1 1 77 77 ASN HA H 1 5.01 0.02 . 1 . . . . 77 ASN HA . 16517 1 903 . 1 1 77 77 ASN HB2 H 1 2.92 0.02 . 2 . . . . 77 ASN HB2 . 16517 1 904 . 1 1 77 77 ASN HB3 H 1 2.61 0.02 . 2 . . . . 77 ASN HB3 . 16517 1 905 . 1 1 77 77 ASN HD21 H 1 7.84 0.02 . 2 . . . . 77 ASN HD21 . 16517 1 906 . 1 1 77 77 ASN HD22 H 1 6.95 0.02 . 2 . . . . 77 ASN HD22 . 16517 1 907 . 1 1 77 77 ASN C C 13 174.3 0.2 . 1 . . . . 77 ASN C . 16517 1 908 . 1 1 77 77 ASN CA C 13 52.6 0.2 . 1 . . . . 77 ASN CA . 16517 1 909 . 1 1 77 77 ASN CB C 13 39.8 0.2 . 1 . . . . 77 ASN CB . 16517 1 910 . 1 1 77 77 ASN N N 15 118.0 0.2 . 1 . . . . 77 ASN N . 16517 1 911 . 1 1 77 77 ASN ND2 N 15 114.7 0.2 . 1 . . . . 77 ASN ND2 . 16517 1 912 . 1 1 78 78 VAL H H 1 7.30 0.02 . 1 . . . . 78 VAL H . 16517 1 913 . 1 1 78 78 VAL HA H 1 3.85 0.02 . 1 . . . . 78 VAL HA . 16517 1 914 . 1 1 78 78 VAL HB H 1 2.13 0.02 . 1 . . . . 78 VAL HB . 16517 1 915 . 1 1 78 78 VAL HG11 H 1 1.07 0.02 . 2 . . . . 78 VAL MG1 . 16517 1 916 . 1 1 78 78 VAL HG12 H 1 1.07 0.02 . 2 . . . . 78 VAL MG1 . 16517 1 917 . 1 1 78 78 VAL HG13 H 1 1.07 0.02 . 2 . . . . 78 VAL MG1 . 16517 1 918 . 1 1 78 78 VAL HG21 H 1 0.87 0.02 . 2 . . . . 78 VAL MG2 . 16517 1 919 . 1 1 78 78 VAL HG22 H 1 0.87 0.02 . 2 . . . . 78 VAL MG2 . 16517 1 920 . 1 1 78 78 VAL HG23 H 1 0.87 0.02 . 2 . . . . 78 VAL MG2 . 16517 1 921 . 1 1 78 78 VAL C C 13 173.2 0.2 . 1 . . . . 78 VAL C . 16517 1 922 . 1 1 78 78 VAL CA C 13 63.6 0.2 . 1 . . . . 78 VAL CA . 16517 1 923 . 1 1 78 78 VAL CB C 13 32.1 0.2 . 1 . . . . 78 VAL CB . 16517 1 924 . 1 1 78 78 VAL CG1 C 13 22.2 0.2 . 2 . . . . 78 VAL CG1 . 16517 1 925 . 1 1 78 78 VAL CG2 C 13 22.2 0.2 . 2 . . . . 78 VAL CG2 . 16517 1 926 . 1 1 78 78 VAL N N 15 121.2 0.2 . 1 . . . . 78 VAL N . 16517 1 927 . 1 1 79 79 ASP H H 1 7.66 0.02 . 1 . . . . 79 ASP H . 16517 1 928 . 1 1 79 79 ASP HA H 1 4.38 0.02 . 1 . . . . 79 ASP HA . 16517 1 929 . 1 1 79 79 ASP HB2 H 1 3.01 0.02 . 2 . . . . 79 ASP HB2 . 16517 1 930 . 1 1 79 79 ASP HB3 H 1 2.71 0.02 . 2 . . . . 79 ASP HB3 . 16517 1 931 . 1 1 79 79 ASP C C 13 173.7 0.2 . 1 . . . . 79 ASP C . 16517 1 932 . 1 1 79 79 ASP CA C 13 51.5 0.2 . 1 . . . . 79 ASP CA . 16517 1 933 . 1 1 79 79 ASP CB C 13 41.8 0.2 . 1 . . . . 79 ASP CB . 16517 1 934 . 1 1 79 79 ASP N N 15 127.0 0.2 . 1 . . . . 79 ASP N . 16517 1 935 . 1 1 80 80 ALA H H 1 8.11 0.02 . 1 . . . . 80 ALA H . 16517 1 936 . 1 1 80 80 ALA HA H 1 2.42 0.02 . 1 . . . . 80 ALA HA . 16517 1 937 . 1 1 80 80 ALA HB1 H 1 1.36 0.02 . 1 . . . . 80 ALA MB . 16517 1 938 . 1 1 80 80 ALA HB2 H 1 1.36 0.02 . 1 . . . . 80 ALA MB . 16517 1 939 . 1 1 80 80 ALA HB3 H 1 1.36 0.02 . 1 . . . . 80 ALA MB . 16517 1 940 . 1 1 80 80 ALA C C 13 178.7 0.2 . 1 . . . . 80 ALA C . 16517 1 941 . 1 1 80 80 ALA CA C 13 55.6 0.2 . 1 . . . . 80 ALA CA . 16517 1 942 . 1 1 80 80 ALA CB C 13 18.6 0.2 . 1 . . . . 80 ALA CB . 16517 1 943 . 1 1 80 80 ALA N N 15 119.9 0.2 . 1 . . . . 80 ALA N . 16517 1 944 . 1 1 81 81 ALA H H 1 7.76 0.02 . 1 . . . . 81 ALA H . 16517 1 945 . 1 1 81 81 ALA HA H 1 4.03 0.02 . 1 . . . . 81 ALA HA . 16517 1 946 . 1 1 81 81 ALA HB1 H 1 1.41 0.02 . 1 . . . . 81 ALA MB . 16517 1 947 . 1 1 81 81 ALA HB2 H 1 1.41 0.02 . 1 . . . . 81 ALA MB . 16517 1 948 . 1 1 81 81 ALA HB3 H 1 1.41 0.02 . 1 . . . . 81 ALA MB . 16517 1 949 . 1 1 81 81 ALA C C 13 180.7 0.2 . 1 . . . . 81 ALA C . 16517 1 950 . 1 1 81 81 ALA CA C 13 54.8 0.2 . 1 . . . . 81 ALA CA . 16517 1 951 . 1 1 81 81 ALA CB C 13 18.3 0.2 . 1 . . . . 81 ALA CB . 16517 1 952 . 1 1 81 81 ALA N N 15 118.5 0.2 . 1 . . . . 81 ALA N . 16517 1 953 . 1 1 82 82 SER H H 1 8.48 0.02 . 1 . . . . 82 SER H . 16517 1 954 . 1 1 82 82 SER HA H 1 4.24 0.02 . 1 . . . . 82 SER HA . 16517 1 955 . 1 1 82 82 SER HB2 H 1 3.92 0.02 . 2 . . . . 82 SER HB2 . 16517 1 956 . 1 1 82 82 SER HB3 H 1 3.92 0.02 . 2 . . . . 82 SER HB3 . 16517 1 957 . 1 1 82 82 SER C C 13 177.2 0.2 . 1 . . . . 82 SER C . 16517 1 958 . 1 1 82 82 SER CA C 13 60.3 0.2 . 1 . . . . 82 SER CA . 16517 1 959 . 1 1 82 82 SER CB C 13 62.7 0.2 . 1 . . . . 82 SER CB . 16517 1 960 . 1 1 82 82 SER N N 15 115.3 0.2 . 1 . . . . 82 SER N . 16517 1 961 . 1 1 83 83 ALA H H 1 8.97 0.02 . 1 . . . . 83 ALA H . 16517 1 962 . 1 1 83 83 ALA HA H 1 3.82 0.02 . 1 . . . . 83 ALA HA . 16517 1 963 . 1 1 83 83 ALA HB1 H 1 1.01 0.02 . 1 . . . . 83 ALA MB . 16517 1 964 . 1 1 83 83 ALA HB2 H 1 1.01 0.02 . 1 . . . . 83 ALA MB . 16517 1 965 . 1 1 83 83 ALA HB3 H 1 1.01 0.02 . 1 . . . . 83 ALA MB . 16517 1 966 . 1 1 83 83 ALA C C 13 178.6 0.2 . 1 . . . . 83 ALA C . 16517 1 967 . 1 1 83 83 ALA CA C 13 55.6 0.2 . 1 . . . . 83 ALA CA . 16517 1 968 . 1 1 83 83 ALA CB C 13 19.4 0.2 . 1 . . . . 83 ALA CB . 16517 1 969 . 1 1 83 83 ALA N N 15 124.7 0.2 . 1 . . . . 83 ALA N . 16517 1 970 . 1 1 84 84 ARG H H 1 7.25 0.02 . 1 . . . . 84 ARG H . 16517 1 971 . 1 1 84 84 ARG HA H 1 3.74 0.02 . 1 . . . . 84 ARG HA . 16517 1 972 . 1 1 84 84 ARG HB2 H 1 1.86 0.02 . 2 . . . . 84 ARG HB2 . 16517 1 973 . 1 1 84 84 ARG HB3 H 1 1.86 0.02 . 2 . . . . 84 ARG HB3 . 16517 1 974 . 1 1 84 84 ARG HD2 H 1 3.14 0.02 . 2 . . . . 84 ARG HD2 . 16517 1 975 . 1 1 84 84 ARG HD3 H 1 2.98 0.02 . 2 . . . . 84 ARG HD3 . 16517 1 976 . 1 1 84 84 ARG HG2 H 1 1.41 0.02 . 2 . . . . 84 ARG HG2 . 16517 1 977 . 1 1 84 84 ARG HG3 H 1 1.37 0.02 . 2 . . . . 84 ARG HG3 . 16517 1 978 . 1 1 84 84 ARG C C 13 176.6 0.2 . 1 . . . . 84 ARG C . 16517 1 979 . 1 1 84 84 ARG CA C 13 60.1 0.2 . 1 . . . . 84 ARG CA . 16517 1 980 . 1 1 84 84 ARG CB C 13 29.9 0.2 . 1 . . . . 84 ARG CB . 16517 1 981 . 1 1 84 84 ARG CD C 13 43.0 0.2 . 1 . . . . 84 ARG CD . 16517 1 982 . 1 1 84 84 ARG CG C 13 27.8 0.2 . 1 . . . . 84 ARG CG . 16517 1 983 . 1 1 84 84 ARG N N 15 116.5 0.2 . 1 . . . . 84 ARG N . 16517 1 984 . 1 1 85 85 GLU H H 1 7.24 0.02 . 1 . . . . 85 GLU H . 16517 1 985 . 1 1 85 85 GLU HA H 1 3.89 0.02 . 1 . . . . 85 GLU HA . 16517 1 986 . 1 1 85 85 GLU HB2 H 1 2.08 0.02 . 2 . . . . 85 GLU HB2 . 16517 1 987 . 1 1 85 85 GLU HB3 H 1 2.08 0.02 . 2 . . . . 85 GLU HB3 . 16517 1 988 . 1 1 85 85 GLU HG2 H 1 2.38 0.02 . 2 . . . . 85 GLU HG2 . 16517 1 989 . 1 1 85 85 GLU HG3 H 1 2.31 0.02 . 2 . . . . 85 GLU HG3 . 16517 1 990 . 1 1 85 85 GLU C C 13 179.8 0.2 . 1 . . . . 85 GLU C . 16517 1 991 . 1 1 85 85 GLU CA C 13 59.2 0.2 . 1 . . . . 85 GLU CA . 16517 1 992 . 1 1 85 85 GLU CB C 13 29.3 0.2 . 1 . . . . 85 GLU CB . 16517 1 993 . 1 1 85 85 GLU CG C 13 35.8 0.2 . 1 . . . . 85 GLU CG . 16517 1 994 . 1 1 85 85 GLU N N 15 115.6 0.2 . 1 . . . . 85 GLU N . 16517 1 995 . 1 1 86 86 LEU H H 1 8.62 0.02 . 1 . . . . 86 LEU H . 16517 1 996 . 1 1 86 86 LEU HA H 1 4.03 0.02 . 1 . . . . 86 LEU HA . 16517 1 997 . 1 1 86 86 LEU HB2 H 1 2.01 0.02 . 2 . . . . 86 LEU HB2 . 16517 1 998 . 1 1 86 86 LEU HB3 H 1 1.55 0.02 . 2 . . . . 86 LEU HB3 . 16517 1 999 . 1 1 86 86 LEU HD11 H 1 0.86 0.02 . 2 . . . . 86 LEU MD1 . 16517 1 1000 . 1 1 86 86 LEU HD12 H 1 0.86 0.02 . 2 . . . . 86 LEU MD1 . 16517 1 1001 . 1 1 86 86 LEU HD13 H 1 0.86 0.02 . 2 . . . . 86 LEU MD1 . 16517 1 1002 . 1 1 86 86 LEU HD21 H 1 0.86 0.02 . 2 . . . . 86 LEU MD2 . 16517 1 1003 . 1 1 86 86 LEU HD22 H 1 0.86 0.02 . 2 . . . . 86 LEU MD2 . 16517 1 1004 . 1 1 86 86 LEU HD23 H 1 0.86 0.02 . 2 . . . . 86 LEU MD2 . 16517 1 1005 . 1 1 86 86 LEU HG H 1 0.82 0.02 . 1 . . . . 86 LEU HG . 16517 1 1006 . 1 1 86 86 LEU C C 13 178.6 0.2 . 1 . . . . 86 LEU C . 16517 1 1007 . 1 1 86 86 LEU CA C 13 58.1 0.2 . 1 . . . . 86 LEU CA . 16517 1 1008 . 1 1 86 86 LEU CB C 13 42.2 0.2 . 1 . . . . 86 LEU CB . 16517 1 1009 . 1 1 86 86 LEU CD1 C 13 22.9 0.2 . 2 . . . . 86 LEU CD1 . 16517 1 1010 . 1 1 86 86 LEU CD2 C 13 22.87 0.2 . 2 . . . . 86 LEU CD2 . 16517 1 1011 . 1 1 86 86 LEU CG C 13 25.4 0.2 . 1 . . . . 86 LEU CG . 16517 1 1012 . 1 1 86 86 LEU N N 15 120.8 0.2 . 1 . . . . 86 LEU N . 16517 1 1013 . 1 1 87 87 MET H H 1 7.84 0.02 . 1 . . . . 87 MET H . 16517 1 1014 . 1 1 87 87 MET HA H 1 3.68 0.02 . 1 . . . . 87 MET HA . 16517 1 1015 . 1 1 87 87 MET HB2 H 1 2.19 0.02 . 2 . . . . 87 MET HB2 . 16517 1 1016 . 1 1 87 87 MET HB3 H 1 1.56 0.02 . 2 . . . . 87 MET HB3 . 16517 1 1017 . 1 1 87 87 MET HE1 H 1 2.11 0.02 . 1 . . . . 87 MET ME . 16517 1 1018 . 1 1 87 87 MET HE2 H 1 2.11 0.02 . 1 . . . . 87 MET ME . 16517 1 1019 . 1 1 87 87 MET HE3 H 1 2.11 0.02 . 1 . . . . 87 MET ME . 16517 1 1020 . 1 1 87 87 MET HG2 H 1 2.96 0.02 . 2 . . . . 87 MET HG2 . 16517 1 1021 . 1 1 87 87 MET HG3 H 1 1.92 0.02 . 2 . . . . 87 MET HG3 . 16517 1 1022 . 1 1 87 87 MET C C 13 175.6 0.2 . 1 . . . . 87 MET C . 16517 1 1023 . 1 1 87 87 MET CA C 13 60.0 0.2 . 1 . . . . 87 MET CA . 16517 1 1024 . 1 1 87 87 MET CB C 13 34.3 0.2 . 1 . . . . 87 MET CB . 16517 1 1025 . 1 1 87 87 MET CE C 13 18.2 0.2 . 1 . . . . 87 MET CE . 16517 1 1026 . 1 1 87 87 MET CG C 13 34.9 0.2 . 1 . . . . 87 MET CG . 16517 1 1027 . 1 1 87 87 MET N N 15 116.7 0.2 . 1 . . . . 87 MET N . 16517 1 1028 . 1 1 88 88 LEU H H 1 7.49 0.02 . 1 . . . . 88 LEU H . 16517 1 1029 . 1 1 88 88 LEU HA H 1 3.89 0.02 . 1 . . . . 88 LEU HA . 16517 1 1030 . 1 1 88 88 LEU HB2 H 1 1.67 0.02 . 2 . . . . 88 LEU HB2 . 16517 1 1031 . 1 1 88 88 LEU HB3 H 1 1.43 0.02 . 2 . . . . 88 LEU HB3 . 16517 1 1032 . 1 1 88 88 LEU HD11 H 1 0.62 0.02 . 2 . . . . 88 LEU MD1 . 16517 1 1033 . 1 1 88 88 LEU HD12 H 1 0.62 0.02 . 2 . . . . 88 LEU MD1 . 16517 1 1034 . 1 1 88 88 LEU HD13 H 1 0.62 0.02 . 2 . . . . 88 LEU MD1 . 16517 1 1035 . 1 1 88 88 LEU HD21 H 1 0.62 0.02 . 2 . . . . 88 LEU MD2 . 16517 1 1036 . 1 1 88 88 LEU HD22 H 1 0.62 0.02 . 2 . . . . 88 LEU MD2 . 16517 1 1037 . 1 1 88 88 LEU HD23 H 1 0.62 0.02 . 2 . . . . 88 LEU MD2 . 16517 1 1038 . 1 1 88 88 LEU HG H 1 0.72 0.02 . 1 . . . . 88 LEU HG . 16517 1 1039 . 1 1 88 88 LEU C C 13 179.2 0.2 . 1 . . . . 88 LEU C . 16517 1 1040 . 1 1 88 88 LEU CA C 13 57.0 0.2 . 1 . . . . 88 LEU CA . 16517 1 1041 . 1 1 88 88 LEU CB C 13 41.8 0.2 . 1 . . . . 88 LEU CB . 16517 1 1042 . 1 1 88 88 LEU CD1 C 13 23.2 0.2 . 2 . . . . 88 LEU CD1 . 16517 1 1043 . 1 1 88 88 LEU CD2 C 13 23.2 0.2 . 2 . . . . 88 LEU CD2 . 16517 1 1044 . 1 1 88 88 LEU CG C 13 24.7 0.2 . 1 . . . . 88 LEU CG . 16517 1 1045 . 1 1 88 88 LEU N N 15 113.4 0.2 . 1 . . . . 88 LEU N . 16517 1 1046 . 1 1 89 89 ALA H H 1 7.69 0.02 . 1 . . . . 89 ALA H . 16517 1 1047 . 1 1 89 89 ALA HA H 1 4.21 0.02 . 1 . . . . 89 ALA HA . 16517 1 1048 . 1 1 89 89 ALA HB1 H 1 1.53 0.02 . 1 . . . . 89 ALA MB . 16517 1 1049 . 1 1 89 89 ALA HB2 H 1 1.53 0.02 . 1 . . . . 89 ALA MB . 16517 1 1050 . 1 1 89 89 ALA HB3 H 1 1.53 0.02 . 1 . . . . 89 ALA MB . 16517 1 1051 . 1 1 89 89 ALA C C 13 179.1 0.2 . 1 . . . . 89 ALA C . 16517 1 1052 . 1 1 89 89 ALA CA C 13 54.1 0.2 . 1 . . . . 89 ALA CA . 16517 1 1053 . 1 1 89 89 ALA CB C 13 19.2 0.2 . 1 . . . . 89 ALA CB . 16517 1 1054 . 1 1 89 89 ALA N N 15 119.1 0.2 . 1 . . . . 89 ALA N . 16517 1 1055 . 1 1 90 90 GLN H H 1 8.10 0.02 . 1 . . . . 90 GLN H . 16517 1 1056 . 1 1 90 90 GLN HB2 H 1 2.13 0.02 . 2 . . . . 90 GLN HB2 . 16517 1 1057 . 1 1 90 90 GLN HB3 H 1 2.00 0.02 . 2 . . . . 90 GLN HB3 . 16517 1 1058 . 1 1 90 90 GLN HE21 H 1 7.77 0.02 . 2 . . . . 90 GLN HE21 . 16517 1 1059 . 1 1 90 90 GLN HE22 H 1 6.69 0.02 . 2 . . . . 90 GLN HE22 . 16517 1 1060 . 1 1 90 90 GLN HG2 H 1 2.27 0.02 . 2 . . . . 90 GLN HG2 . 16517 1 1061 . 1 1 90 90 GLN HG3 H 1 2.27 0.02 . 2 . . . . 90 GLN HG3 . 16517 1 1062 . 1 1 90 90 GLN CA C 13 53.4 0.2 . 1 . . . . 90 GLN CA . 16517 1 1063 . 1 1 90 90 GLN CB C 13 30.9 0.2 . 1 . . . . 90 GLN CB . 16517 1 1064 . 1 1 90 90 GLN N N 15 115.1 0.2 . 1 . . . . 90 GLN N . 16517 1 1065 . 1 1 90 90 GLN NE2 N 15 111.3 0.2 . 1 . . . . 90 GLN NE2 . 16517 1 1066 . 1 1 91 91 PRO HA H 1 4.53 0.02 . 1 . . . . 91 PRO HA . 16517 1 1067 . 1 1 91 91 PRO HB2 H 1 1.81 0.02 . 2 . . . . 91 PRO HB2 . 16517 1 1068 . 1 1 91 91 PRO HB3 H 1 1.37 0.02 . 2 . . . . 91 PRO HB3 . 16517 1 1069 . 1 1 91 91 PRO HD2 H 1 3.66 0.02 . 2 . . . . 91 PRO HD2 . 16517 1 1070 . 1 1 91 91 PRO HD3 H 1 3.43 0.02 . 2 . . . . 91 PRO HD3 . 16517 1 1071 . 1 1 91 91 PRO HG2 H 1 2.00 0.02 . 2 . . . . 91 PRO HG2 . 16517 1 1072 . 1 1 91 91 PRO HG3 H 1 1.85 0.02 . 2 . . . . 91 PRO HG3 . 16517 1 1073 . 1 1 91 91 PRO C C 13 178.3 0.2 . 1 . . . . 91 PRO C . 16517 1 1074 . 1 1 91 91 PRO CA C 13 64.3 0.2 . 1 . . . . 91 PRO CA . 16517 1 1075 . 1 1 91 91 PRO CB C 13 31.8 0.2 . 1 . . . . 91 PRO CB . 16517 1 1076 . 1 1 91 91 PRO CD C 13 50.2 0.2 . 1 . . . . 91 PRO CD . 16517 1 1077 . 1 1 91 91 PRO CG C 13 27.6 0.2 . 1 . . . . 91 PRO CG . 16517 1 1078 . 1 1 92 92 SER H H 1 8.51 0.02 . 1 . . . . 92 SER H . 16517 1 1079 . 1 1 92 92 SER HA H 1 4.31 0.02 . 1 . . . . 92 SER HA . 16517 1 1080 . 1 1 92 92 SER HB2 H 1 4.14 0.02 . 2 . . . . 92 SER HB2 . 16517 1 1081 . 1 1 92 92 SER HB3 H 1 4.14 0.02 . 2 . . . . 92 SER HB3 . 16517 1 1082 . 1 1 92 92 SER C C 13 174.2 0.2 . 1 . . . . 92 SER C . 16517 1 1083 . 1 1 92 92 SER CA C 13 62.0 0.2 . 1 . . . . 92 SER CA . 16517 1 1084 . 1 1 92 92 SER CB C 13 62.5 0.2 . 1 . . . . 92 SER CB . 16517 1 1085 . 1 1 92 92 SER N N 15 115.0 0.2 . 1 . . . . 92 SER N . 16517 1 1086 . 1 1 93 93 MET H H 1 8.79 0.02 . 1 . . . . 93 MET H . 16517 1 1087 . 1 1 93 93 MET HA H 1 4.56 0.02 . 1 . . . . 93 MET HA . 16517 1 1088 . 1 1 93 93 MET HB2 H 1 2.26 0.02 . 2 . . . . 93 MET HB2 . 16517 1 1089 . 1 1 93 93 MET HB3 H 1 2.10 0.02 . 2 . . . . 93 MET HB3 . 16517 1 1090 . 1 1 93 93 MET HG2 H 1 2.87 0.02 . 2 . . . . 93 MET HG2 . 16517 1 1091 . 1 1 93 93 MET HG3 H 1 2.57 0.02 . 2 . . . . 93 MET HG3 . 16517 1 1092 . 1 1 93 93 MET C C 13 174.9 0.2 . 1 . . . . 93 MET C . 16517 1 1093 . 1 1 93 93 MET CA C 13 56.9 0.2 . 1 . . . . 93 MET CA . 16517 1 1094 . 1 1 93 93 MET CB C 13 35.0 0.2 . 1 . . . . 93 MET CB . 16517 1 1095 . 1 1 93 93 MET CG C 13 33.1 0.2 . 1 . . . . 93 MET CG . 16517 1 1096 . 1 1 93 93 MET N N 15 118.4 0.2 . 1 . . . . 93 MET N . 16517 1 1097 . 1 1 94 94 VAL H H 1 7.54 0.02 . 1 . . . . 94 VAL H . 16517 1 1098 . 1 1 94 94 VAL HA H 1 4.08 0.02 . 1 . . . . 94 VAL HA . 16517 1 1099 . 1 1 94 94 VAL HB H 1 2.18 0.02 . 1 . . . . 94 VAL HB . 16517 1 1100 . 1 1 94 94 VAL HG11 H 1 1.28 0.02 . 2 . . . . 94 VAL MG1 . 16517 1 1101 . 1 1 94 94 VAL HG12 H 1 1.28 0.02 . 2 . . . . 94 VAL MG1 . 16517 1 1102 . 1 1 94 94 VAL HG13 H 1 1.28 0.02 . 2 . . . . 94 VAL MG1 . 16517 1 1103 . 1 1 94 94 VAL HG21 H 1 0.91 0.02 . 2 . . . . 94 VAL MG2 . 16517 1 1104 . 1 1 94 94 VAL HG22 H 1 0.91 0.02 . 2 . . . . 94 VAL MG2 . 16517 1 1105 . 1 1 94 94 VAL HG23 H 1 0.91 0.02 . 2 . . . . 94 VAL MG2 . 16517 1 1106 . 1 1 94 94 VAL C C 13 178.0 0.2 . 1 . . . . 94 VAL C . 16517 1 1107 . 1 1 94 94 VAL CA C 13 63.1 0.2 . 1 . . . . 94 VAL CA . 16517 1 1108 . 1 1 94 94 VAL CB C 13 31.7 0.2 . 1 . . . . 94 VAL CB . 16517 1 1109 . 1 1 94 94 VAL CG1 C 13 21.1 0.2 . 2 . . . . 94 VAL CG1 . 16517 1 1110 . 1 1 94 94 VAL CG2 C 13 22.7 0.2 . 2 . . . . 94 VAL CG2 . 16517 1 1111 . 1 1 94 94 VAL N N 15 121.0 0.2 . 1 . . . . 94 VAL N . 16517 1 1112 . 1 1 95 95 LYS H H 1 9.55 0.02 . 1 . . . . 95 LYS H . 16517 1 1113 . 1 1 95 95 LYS HA H 1 3.94 0.02 . 1 . . . . 95 LYS HA . 16517 1 1114 . 1 1 95 95 LYS HB2 H 1 1.65 0.02 . 2 . . . . 95 LYS HB2 . 16517 1 1115 . 1 1 95 95 LYS HB3 H 1 1.57 0.02 . 2 . . . . 95 LYS HB3 . 16517 1 1116 . 1 1 95 95 LYS CA C 13 58.8 0.2 . 1 . . . . 95 LYS CA . 16517 1 1117 . 1 1 95 95 LYS CB C 13 33.5 0.2 . 1 . . . . 95 LYS CB . 16517 1 1118 . 1 1 95 95 LYS CD C 13 28.9 0.2 . 1 . . . . 95 LYS CD . 16517 1 1119 . 1 1 95 95 LYS CE C 13 42.2 0.2 . 1 . . . . 95 LYS CE . 16517 1 1120 . 1 1 95 95 LYS CG C 13 26.1 0.2 . 1 . . . . 95 LYS CG . 16517 1 1121 . 1 1 95 95 LYS N N 15 131.2 0.2 . 1 . . . . 95 LYS N . 16517 1 1122 . 1 1 96 96 ARG H H 1 8.26 0.02 . 1 . . . . 96 ARG H . 16517 1 1123 . 1 1 96 96 ARG HB2 H 1 2.04 0.02 . 2 . . . . 96 ARG HB2 . 16517 1 1124 . 1 1 96 96 ARG HB3 H 1 1.75 0.02 . 2 . . . . 96 ARG HB3 . 16517 1 1125 . 1 1 96 96 ARG CA C 13 52.7 0.2 . 1 . . . . 96 ARG CA . 16517 1 1126 . 1 1 96 96 ARG CB C 13 34.4 0.2 . 1 . . . . 96 ARG CB . 16517 1 1127 . 1 1 96 96 ARG N N 15 117.1 0.2 . 1 . . . . 96 ARG N . 16517 1 1128 . 1 1 97 97 PRO HB2 H 1 2.40 0.02 . 2 . . . . 97 PRO HB2 . 16517 1 1129 . 1 1 97 97 PRO HB3 H 1 1.95 0.02 . 2 . . . . 97 PRO HB3 . 16517 1 1130 . 1 1 97 97 PRO HD2 H 1 3.52 0.02 . 2 . . . . 97 PRO HD2 . 16517 1 1131 . 1 1 97 97 PRO HD3 H 1 2.93 0.02 . 2 . . . . 97 PRO HD3 . 16517 1 1132 . 1 1 97 97 PRO HG2 H 1 1.93 0.02 . 2 . . . . 97 PRO HG2 . 16517 1 1133 . 1 1 97 97 PRO HG3 H 1 1.59 0.02 . 2 . . . . 97 PRO HG3 . 16517 1 1134 . 1 1 97 97 PRO C C 13 176.6 0.2 . 1 . . . . 97 PRO C . 16517 1 1135 . 1 1 97 97 PRO CA C 13 62.4 0.2 . 1 . . . . 97 PRO CA . 16517 1 1136 . 1 1 97 97 PRO CB C 13 34.7 0.2 . 1 . . . . 97 PRO CB . 16517 1 1137 . 1 1 97 97 PRO CD C 13 49.0 0.2 . 1 . . . . 97 PRO CD . 16517 1 1138 . 1 1 97 97 PRO CG C 13 26.0 0.2 . 1 . . . . 97 PRO CG . 16517 1 1139 . 1 1 98 98 VAL H H 1 7.54 0.02 . 1 . . . . 98 VAL H . 16517 1 1140 . 1 1 98 98 VAL HA H 1 4.46 0.02 . 1 . . . . 98 VAL HA . 16517 1 1141 . 1 1 98 98 VAL HB H 1 1.71 0.02 . 1 . . . . 98 VAL HB . 16517 1 1142 . 1 1 98 98 VAL HG11 H 1 0.80 0.02 . 2 . . . . 98 VAL MG1 . 16517 1 1143 . 1 1 98 98 VAL HG12 H 1 0.80 0.02 . 2 . . . . 98 VAL MG1 . 16517 1 1144 . 1 1 98 98 VAL HG13 H 1 0.80 0.02 . 2 . . . . 98 VAL MG1 . 16517 1 1145 . 1 1 98 98 VAL HG21 H 1 -0.10 0.02 . 2 . . . . 98 VAL MG2 . 16517 1 1146 . 1 1 98 98 VAL HG22 H 1 -0.10 0.02 . 2 . . . . 98 VAL MG2 . 16517 1 1147 . 1 1 98 98 VAL HG23 H 1 -0.10 0.02 . 2 . . . . 98 VAL MG2 . 16517 1 1148 . 1 1 98 98 VAL C C 13 173.5 0.2 . 1 . . . . 98 VAL C . 16517 1 1149 . 1 1 98 98 VAL CA C 13 64.0 0.2 . 1 . . . . 98 VAL CA . 16517 1 1150 . 1 1 98 98 VAL CB C 13 33.6 0.2 . 1 . . . . 98 VAL CB . 16517 1 1151 . 1 1 98 98 VAL CG1 C 13 22.1 0.2 . 2 . . . . 98 VAL CG1 . 16517 1 1152 . 1 1 98 98 VAL CG2 C 13 21.6 0.2 . 2 . . . . 98 VAL CG2 . 16517 1 1153 . 1 1 98 98 VAL N N 15 117.8 0.2 . 1 . . . . 98 VAL N . 16517 1 1154 . 1 1 99 99 LEU H H 1 9.03 0.02 . 1 . . . . 99 LEU H . 16517 1 1155 . 1 1 99 99 LEU HA H 1 5.41 0.02 . 1 . . . . 99 LEU HA . 16517 1 1156 . 1 1 99 99 LEU HB2 H 1 1.41 0.02 . 2 . . . . 99 LEU HB2 . 16517 1 1157 . 1 1 99 99 LEU HB3 H 1 1.26 0.02 . 2 . . . . 99 LEU HB3 . 16517 1 1158 . 1 1 99 99 LEU HD11 H 1 0.32 0.02 . 2 . . . . 99 LEU MD1 . 16517 1 1159 . 1 1 99 99 LEU HD12 H 1 0.32 0.02 . 2 . . . . 99 LEU MD1 . 16517 1 1160 . 1 1 99 99 LEU HD13 H 1 0.32 0.02 . 2 . . . . 99 LEU MD1 . 16517 1 1161 . 1 1 99 99 LEU HD21 H 1 0.32 0.02 . 2 . . . . 99 LEU MD2 . 16517 1 1162 . 1 1 99 99 LEU HD22 H 1 0.32 0.02 . 2 . . . . 99 LEU MD2 . 16517 1 1163 . 1 1 99 99 LEU HD23 H 1 0.32 0.02 . 2 . . . . 99 LEU MD2 . 16517 1 1164 . 1 1 99 99 LEU HG H 1 0.70 0.02 . 1 . . . . 99 LEU HG . 16517 1 1165 . 1 1 99 99 LEU C C 13 173.8 0.2 . 1 . . . . 99 LEU C . 16517 1 1166 . 1 1 99 99 LEU CA C 13 54.3 0.2 . 1 . . . . 99 LEU CA . 16517 1 1167 . 1 1 99 99 LEU CB C 13 45.8 0.2 . 1 . . . . 99 LEU CB . 16517 1 1168 . 1 1 99 99 LEU CD1 C 13 25.0 0.2 . 2 . . . . 99 LEU CD1 . 16517 1 1169 . 1 1 99 99 LEU CD2 C 13 25.0 0.2 . 2 . . . . 99 LEU CD2 . 16517 1 1170 . 1 1 99 99 LEU CG C 13 27.2 0.2 . 1 . . . . 99 LEU CG . 16517 1 1171 . 1 1 99 99 LEU N N 15 131.4 0.2 . 1 . . . . 99 LEU N . 16517 1 1172 . 1 1 100 100 GLU H H 1 9.39 0.02 . 1 . . . . 100 GLU H . 16517 1 1173 . 1 1 100 100 GLU HA H 1 5.05 0.02 . 1 . . . . 100 GLU HA . 16517 1 1174 . 1 1 100 100 GLU HB2 H 1 2.37 0.02 . 2 . . . . 100 GLU HB2 . 16517 1 1175 . 1 1 100 100 GLU HB3 H 1 1.82 0.02 . 2 . . . . 100 GLU HB3 . 16517 1 1176 . 1 1 100 100 GLU HG2 H 1 2.25 0.02 . 2 . . . . 100 GLU HG2 . 16517 1 1177 . 1 1 100 100 GLU HG3 H 1 2.04 0.02 . 2 . . . . 100 GLU HG3 . 16517 1 1178 . 1 1 100 100 GLU C C 13 174.2 0.2 . 1 . . . . 100 GLU C . 16517 1 1179 . 1 1 100 100 GLU CA C 13 55.3 0.2 . 1 . . . . 100 GLU CA . 16517 1 1180 . 1 1 100 100 GLU CB C 13 35.6 0.2 . 1 . . . . 100 GLU CB . 16517 1 1181 . 1 1 100 100 GLU CG C 13 36.8 0.2 . 1 . . . . 100 GLU CG . 16517 1 1182 . 1 1 100 100 GLU N N 15 125.8 0.2 . 1 . . . . 100 GLU N . 16517 1 1183 . 1 1 101 101 ARG H H 1 7.61 0.02 . 1 . . . . 101 ARG H . 16517 1 1184 . 1 1 101 101 ARG C C 13 175.9 0.2 . 1 . . . . 101 ARG C . 16517 1 1185 . 1 1 101 101 ARG CA C 13 56.7 0.2 . 1 . . . . 101 ARG CA . 16517 1 1186 . 1 1 101 101 ARG CB C 13 32.5 0.2 . 1 . . . . 101 ARG CB . 16517 1 1187 . 1 1 101 101 ARG CD C 13 44.1 0.2 . 1 . . . . 101 ARG CD . 16517 1 1188 . 1 1 101 101 ARG CG C 13 26.0 0.2 . 1 . . . . 101 ARG CG . 16517 1 1189 . 1 1 101 101 ARG N N 15 125.1 0.2 . 1 . . . . 101 ARG N . 16517 1 1190 . 1 1 102 102 ASP H H 1 10.08 0.02 . 1 . . . . 102 ASP H . 16517 1 1191 . 1 1 102 102 ASP HA H 1 4.45 0.02 . 1 . . . . 102 ASP HA . 16517 1 1192 . 1 1 102 102 ASP HB2 H 1 3.06 0.02 . 2 . . . . 102 ASP HB2 . 16517 1 1193 . 1 1 102 102 ASP HB3 H 1 2.60 0.02 . 2 . . . . 102 ASP HB3 . 16517 1 1194 . 1 1 102 102 ASP C C 13 175.7 0.2 . 1 . . . . 102 ASP C . 16517 1 1195 . 1 1 102 102 ASP CA C 13 55.3 0.2 . 1 . . . . 102 ASP CA . 16517 1 1196 . 1 1 102 102 ASP CB C 13 40.5 0.02 . 1 . . . . 102 ASP CB . 16517 1 1197 . 1 1 102 102 ASP N N 15 132.0 0.2 . 1 . . . . 102 ASP N . 16517 1 1198 . 1 1 103 103 GLY H H 1 8.87 0.02 . 1 . . . . 103 GLY H . 16517 1 1199 . 1 1 103 103 GLY HA2 H 1 4.12 0.02 . 2 . . . . 103 GLY HA2 . 16517 1 1200 . 1 1 103 103 GLY HA3 H 1 3.83 0.02 . 2 . . . . 103 GLY HA3 . 16517 1 1201 . 1 1 103 103 GLY C C 13 174.0 0.2 . 1 . . . . 103 GLY C . 16517 1 1202 . 1 1 103 103 GLY CA C 13 45.6 0.2 . 1 . . . . 103 GLY CA . 16517 1 1203 . 1 1 103 103 GLY N N 15 102.9 0.2 . 1 . . . . 103 GLY N . 16517 1 1204 . 1 1 104 104 LYS H H 1 8.13 0.02 . 1 . . . . 104 LYS H . 16517 1 1205 . 1 1 104 104 LYS HA H 1 4.65 0.02 . 1 . . . . 104 LYS HA . 16517 1 1206 . 1 1 104 104 LYS HB2 H 1 1.95 0.02 . 2 . . . . 104 LYS HB2 . 16517 1 1207 . 1 1 104 104 LYS HB3 H 1 1.95 0.02 . 2 . . . . 104 LYS HB3 . 16517 1 1208 . 1 1 104 104 LYS C C 13 176.5 0.2 . 1 . . . . 104 LYS C . 16517 1 1209 . 1 1 104 104 LYS CA C 13 55.5 0.2 . 1 . . . . 104 LYS CA . 16517 1 1210 . 1 1 104 104 LYS CB C 13 32.6 0.2 . 1 . . . . 104 LYS CB . 16517 1 1211 . 1 1 104 104 LYS CD C 13 28.9 0.2 . 1 . . . . 104 LYS CD . 16517 1 1212 . 1 1 104 104 LYS CE C 13 42.2 0.2 . 1 . . . . 104 LYS CE . 16517 1 1213 . 1 1 104 104 LYS CG C 13 24.7 0.2 . 1 . . . . 104 LYS CG . 16517 1 1214 . 1 1 104 104 LYS N N 15 122.4 0.2 . 1 . . . . 104 LYS N . 16517 1 1215 . 1 1 105 105 LEU H H 1 8.92 0.02 . 1 . . . . 105 LEU H . 16517 1 1216 . 1 1 105 105 LEU HA H 1 5.42 0.02 . 1 . . . . 105 LEU HA . 16517 1 1217 . 1 1 105 105 LEU HB2 H 1 1.60 0.02 . 2 . . . . 105 LEU HB2 . 16517 1 1218 . 1 1 105 105 LEU HB3 H 1 1.11 0.02 . 2 . . . . 105 LEU HB3 . 16517 1 1219 . 1 1 105 105 LEU HD11 H 1 0.58 0.02 . 2 . . . . 105 LEU MD1 . 16517 1 1220 . 1 1 105 105 LEU HD12 H 1 0.58 0.02 . 2 . . . . 105 LEU MD1 . 16517 1 1221 . 1 1 105 105 LEU HD13 H 1 0.58 0.02 . 2 . . . . 105 LEU MD1 . 16517 1 1222 . 1 1 105 105 LEU HD21 H 1 0.58 0.02 . 2 . . . . 105 LEU MD2 . 16517 1 1223 . 1 1 105 105 LEU HD22 H 1 0.58 0.02 . 2 . . . . 105 LEU MD2 . 16517 1 1224 . 1 1 105 105 LEU HD23 H 1 0.58 0.02 . 2 . . . . 105 LEU MD2 . 16517 1 1225 . 1 1 105 105 LEU HG H 1 1.52 0.02 . 1 . . . . 105 LEU HG . 16517 1 1226 . 1 1 105 105 LEU C C 13 177.2 0.2 . 1 . . . . 105 LEU C . 16517 1 1227 . 1 1 105 105 LEU CA C 13 54.3 0.2 . 1 . . . . 105 LEU CA . 16517 1 1228 . 1 1 105 105 LEU CB C 13 45.4 0.2 . 1 . . . . 105 LEU CB . 16517 1 1229 . 1 1 105 105 LEU CD1 C 13 25.1 0.2 . 2 . . . . 105 LEU CD1 . 16517 1 1230 . 1 1 105 105 LEU CD2 C 13 25.1 0.2 . 2 . . . . 105 LEU CD2 . 16517 1 1231 . 1 1 105 105 LEU CG C 13 28.2 0.2 . 1 . . . . 105 LEU CG . 16517 1 1232 . 1 1 105 105 LEU N N 15 129.2 0.2 . 1 . . . . 105 LEU N . 16517 1 1233 . 1 1 106 106 MET H H 1 8.86 0.02 . 1 . . . . 106 MET H . 16517 1 1234 . 1 1 106 106 MET HA H 1 4.58 0.02 . 1 . . . . 106 MET HA . 16517 1 1235 . 1 1 106 106 MET HB2 H 1 1.58 0.02 . 2 . . . . 106 MET HB2 . 16517 1 1236 . 1 1 106 106 MET HB3 H 1 1.47 0.02 . 2 . . . . 106 MET HB3 . 16517 1 1237 . 1 1 106 106 MET HG2 H 1 2.14 0.02 . 2 . . . . 106 MET HG2 . 16517 1 1238 . 1 1 106 106 MET HG3 H 1 2.07 0.02 . 2 . . . . 106 MET HG3 . 16517 1 1239 . 1 1 106 106 MET C C 13 174.5 0.2 . 1 . . . . 106 MET C . 16517 1 1240 . 1 1 106 106 MET CA C 13 55.3 0.2 . 1 . . . . 106 MET CA . 16517 1 1241 . 1 1 106 106 MET CB C 13 36.5 0.2 . 1 . . . . 106 MET CB . 16517 1 1242 . 1 1 106 106 MET CG C 13 30.1 0.2 . 1 . . . . 106 MET CG . 16517 1 1243 . 1 1 106 106 MET N N 15 121.5 0.2 . 1 . . . . 106 MET N . 16517 1 1244 . 1 1 107 107 VAL H H 1 9.18 0.02 . 1 . . . . 107 VAL H . 16517 1 1245 . 1 1 107 107 VAL HA H 1 4.69 0.02 . 1 . . . . 107 VAL HA . 16517 1 1246 . 1 1 107 107 VAL HB H 1 1.89 0.02 . 1 . . . . 107 VAL HB . 16517 1 1247 . 1 1 107 107 VAL HG11 H 1 0.85 0.02 . 2 . . . . 107 VAL MG1 . 16517 1 1248 . 1 1 107 107 VAL HG12 H 1 0.85 0.02 . 2 . . . . 107 VAL MG1 . 16517 1 1249 . 1 1 107 107 VAL HG13 H 1 0.85 0.02 . 2 . . . . 107 VAL MG1 . 16517 1 1250 . 1 1 107 107 VAL HG21 H 1 0.78 0.02 . 2 . . . . 107 VAL MG2 . 16517 1 1251 . 1 1 107 107 VAL HG22 H 1 0.78 0.02 . 2 . . . . 107 VAL MG2 . 16517 1 1252 . 1 1 107 107 VAL HG23 H 1 0.78 0.02 . 2 . . . . 107 VAL MG2 . 16517 1 1253 . 1 1 107 107 VAL C C 13 176.2 0.2 . 1 . . . . 107 VAL C . 16517 1 1254 . 1 1 107 107 VAL CA C 13 61.4 0.2 . 1 . . . . 107 VAL CA . 16517 1 1255 . 1 1 107 107 VAL CB C 13 33.4 0.2 . 1 . . . . 107 VAL CB . 16517 1 1256 . 1 1 107 107 VAL CG1 C 13 21.6 0.2 . 2 . . . . 107 VAL CG1 . 16517 1 1257 . 1 1 107 107 VAL CG2 C 13 21.6 0.2 . 2 . . . . 107 VAL CG2 . 16517 1 1258 . 1 1 107 107 VAL N N 15 129.5 0.2 . 1 . . . . 107 VAL N . 16517 1 1259 . 1 1 108 108 GLY H H 1 8.73 0.02 . 1 . . . . 108 GLY H . 16517 1 1260 . 1 1 108 108 GLY HA2 H 1 4.43 0.02 . 2 . . . . 108 GLY HA2 . 16517 1 1261 . 1 1 108 108 GLY HA3 H 1 3.85 0.02 . 2 . . . . 108 GLY HA3 . 16517 1 1262 . 1 1 108 108 GLY CA C 13 43.8 0.2 . 1 . . . . 108 GLY CA . 16517 1 1263 . 1 1 108 108 GLY N N 15 113.6 0.2 . 1 . . . . 108 GLY N . 16517 1 1264 . 1 1 109 109 PHE HB2 H 1 2.56 0.02 . 2 . . . . 109 PHE HB2 . 16517 1 1265 . 1 1 109 109 PHE HB3 H 1 2.31 0.02 . 2 . . . . 109 PHE HB3 . 16517 1 1266 . 1 1 109 109 PHE HD1 H 1 5.90 0.02 . 3 . . . . 109 PHE HD1 . 16517 1 1267 . 1 1 109 109 PHE HD2 H 1 5.90 0.02 . 3 . . . . 109 PHE HD2 . 16517 1 1268 . 1 1 109 109 PHE HE1 H 1 6.43 0.02 . 3 . . . . 109 PHE HE1 . 16517 1 1269 . 1 1 109 109 PHE HE2 H 1 6.43 0.02 . 3 . . . . 109 PHE HE2 . 16517 1 1270 . 1 1 109 109 PHE HZ H 1 6.99 0.02 . 1 . . . . 109 PHE HZ . 16517 1 1271 . 1 1 109 109 PHE C C 13 172.7 0.2 . 1 . . . . 109 PHE C . 16517 1 1272 . 1 1 109 109 PHE CA C 13 58.9 0.2 . 1 . . . . 109 PHE CA . 16517 1 1273 . 1 1 109 109 PHE CB C 13 42.1 0.2 . 1 . . . . 109 PHE CB . 16517 1 1274 . 1 1 109 109 PHE CD1 C 13 131.8 0.2 . 3 . . . . 109 PHE CD1 . 16517 1 1275 . 1 1 109 109 PHE CD2 C 13 131.8 0.2 . 3 . . . . 109 PHE CD2 . 16517 1 1276 . 1 1 109 109 PHE CE1 C 13 130.4 0.2 . 3 . . . . 109 PHE CE1 . 16517 1 1277 . 1 1 109 109 PHE CE2 C 13 130.4 0.2 . 3 . . . . 109 PHE CE2 . 16517 1 1278 . 1 1 109 109 PHE CZ C 13 128.5 0.2 . 1 . . . . 109 PHE CZ . 16517 1 1279 . 1 1 110 110 LYS H H 1 6.51 0.2 . 1 . . . . 110 LYS H . 16517 1 1280 . 1 1 110 110 LYS HB2 H 1 1.71 0.02 . 2 . . . . 110 LYS HB2 . 16517 1 1281 . 1 1 110 110 LYS HB3 H 1 1.44 0.02 . 2 . . . . 110 LYS HB3 . 16517 1 1282 . 1 1 110 110 LYS CA C 13 53.5 0.2 . 1 . . . . 110 LYS CA . 16517 1 1283 . 1 1 110 110 LYS CB C 13 34.8 0.2 . 1 . . . . 110 LYS CB . 16517 1 1284 . 1 1 110 110 LYS N N 15 126.6 0.2 . 1 . . . . 110 LYS N . 16517 1 1285 . 1 1 111 111 PRO HA H 1 3.36 0.02 . 1 . . . . 111 PRO HA . 16517 1 1286 . 1 1 111 111 PRO HB2 H 1 2.62 0.02 . 2 . . . . 111 PRO HB2 . 16517 1 1287 . 1 1 111 111 PRO HB3 H 1 2.10 0.02 . 2 . . . . 111 PRO HB3 . 16517 1 1288 . 1 1 111 111 PRO HD2 H 1 3.58 0.02 . 2 . . . . 111 PRO HD2 . 16517 1 1289 . 1 1 111 111 PRO HD3 H 1 3.05 0.02 . 2 . . . . 111 PRO HD3 . 16517 1 1290 . 1 1 111 111 PRO HG2 H 1 2.25 0.02 . 2 . . . . 111 PRO HG2 . 16517 1 1291 . 1 1 111 111 PRO HG3 H 1 2.07 0.02 . 2 . . . . 111 PRO HG3 . 16517 1 1292 . 1 1 111 111 PRO C C 13 177.1 0.2 . 1 . . . . 111 PRO C . 16517 1 1293 . 1 1 111 111 PRO CA C 13 66.6 0.2 . 1 . . . . 111 PRO CA . 16517 1 1294 . 1 1 111 111 PRO CB C 13 31.7 0.2 . 1 . . . . 111 PRO CB . 16517 1 1295 . 1 1 111 111 PRO CD C 13 50.1 0.2 . 1 . . . . 111 PRO CD . 16517 1 1296 . 1 1 111 111 PRO CG C 13 27.5 0.2 . 1 . . . . 111 PRO CG . 16517 1 1297 . 1 1 112 112 ALA H H 1 8.45 0.02 . 1 . . . . 112 ALA H . 16517 1 1298 . 1 1 112 112 ALA HA H 1 4.14 0.02 . 1 . . . . 112 ALA HA . 16517 1 1299 . 1 1 112 112 ALA HB1 H 1 1.38 0.02 . 1 . . . . 112 ALA MB . 16517 1 1300 . 1 1 112 112 ALA HB2 H 1 1.38 0.02 . 1 . . . . 112 ALA MB . 16517 1 1301 . 1 1 112 112 ALA HB3 H 1 1.38 0.02 . 1 . . . . 112 ALA MB . 16517 1 1302 . 1 1 112 112 ALA C C 13 180.3 0.2 . 1 . . . . 112 ALA C . 16517 1 1303 . 1 1 112 112 ALA CA C 13 54.9 0.2 . 1 . . . . 112 ALA CA . 16517 1 1304 . 1 1 112 112 ALA CB C 13 18.8 0.2 . 1 . . . . 112 ALA CB . 16517 1 1305 . 1 1 112 112 ALA N N 15 116.2 0.2 . 1 . . . . 112 ALA N . 16517 1 1306 . 1 1 113 113 GLN H H 1 6.88 0.02 . 1 . . . . 113 GLN H . 16517 1 1307 . 1 1 113 113 GLN HA H 1 4.13 0.02 . 1 . . . . 113 GLN HA . 16517 1 1308 . 1 1 113 113 GLN HB2 H 1 2.37 0.02 . 2 . . . . 113 GLN HB2 . 16517 1 1309 . 1 1 113 113 GLN HB3 H 1 1.96 0.02 . 2 . . . . 113 GLN HB3 . 16517 1 1310 . 1 1 113 113 GLN HE21 H 1 7.12 0.02 . 2 . . . . 113 GLN HE21 . 16517 1 1311 . 1 1 113 113 GLN HE22 H 1 6.48 0.02 . 2 . . . . 113 GLN HE22 . 16517 1 1312 . 1 1 113 113 GLN HG2 H 1 2.49 0.02 . 2 . . . . 113 GLN HG2 . 16517 1 1313 . 1 1 113 113 GLN HG3 H 1 2.38 0.02 . 2 . . . . 113 GLN HG3 . 16517 1 1314 . 1 1 113 113 GLN C C 13 178.4 0.2 . 1 . . . . 113 GLN C . 16517 1 1315 . 1 1 113 113 GLN CA C 13 60.1 0.2 . 1 . . . . 113 GLN CA . 16517 1 1316 . 1 1 113 113 GLN CB C 13 29.1 0.2 . 1 . . . . 113 GLN CB . 16517 1 1317 . 1 1 113 113 GLN CG C 13 33.2 0.2 . 1 . . . . 113 GLN CG . 16517 1 1318 . 1 1 113 113 GLN N N 15 118.2 0.2 . 1 . . . . 113 GLN N . 16517 1 1319 . 1 1 113 113 GLN NE2 N 15 108.9 0.2 . 1 . . . . 113 GLN NE2 . 16517 1 1320 . 1 1 114 114 TYR H H 1 7.60 0.02 . 1 . . . . 114 TYR H . 16517 1 1321 . 1 1 114 114 TYR HA H 1 3.80 0.02 . 1 . . . . 114 TYR HA . 16517 1 1322 . 1 1 114 114 TYR HB2 H 1 1.71 0.02 . 2 . . . . 114 TYR HB2 . 16517 1 1323 . 1 1 114 114 TYR HB3 H 1 0.93 0.02 . 2 . . . . 114 TYR HB3 . 16517 1 1324 . 1 1 114 114 TYR HD1 H 1 6.81 0.02 . 3 . . . . 114 TYR HD1 . 16517 1 1325 . 1 1 114 114 TYR HD2 H 1 6.81 0.02 . 3 . . . . 114 TYR HD2 . 16517 1 1326 . 1 1 114 114 TYR HE1 H 1 6.72 0.02 . 3 . . . . 114 TYR HE1 . 16517 1 1327 . 1 1 114 114 TYR HE2 H 1 6.72 0.02 . 3 . . . . 114 TYR HE2 . 16517 1 1328 . 1 1 114 114 TYR C C 13 177.1 0.2 . 1 . . . . 114 TYR C . 16517 1 1329 . 1 1 114 114 TYR CA C 13 61.7 0.2 . 1 . . . . 114 TYR CA . 16517 1 1330 . 1 1 114 114 TYR CB C 13 33.2 0.2 . 1 . . . . 114 TYR CB . 16517 1 1331 . 1 1 114 114 TYR CD1 C 13 131.0 0.2 . 3 . . . . 114 TYR CD1 . 16517 1 1332 . 1 1 114 114 TYR CD2 C 13 131.0 0.2 . 3 . . . . 114 TYR CD2 . 16517 1 1333 . 1 1 114 114 TYR CE1 C 13 118.6 0.2 . 3 . . . . 114 TYR CE1 . 16517 1 1334 . 1 1 114 114 TYR CE2 C 13 118.6 0.2 . 3 . . . . 114 TYR CE2 . 16517 1 1335 . 1 1 114 114 TYR N N 15 124.9 0.2 . 1 . . . . 114 TYR N . 16517 1 1336 . 1 1 115 115 GLU H H 1 8.61 0.02 . 1 . . . . 115 GLU H . 16517 1 1337 . 1 1 115 115 GLU HA H 1 4.16 0.02 . 1 . . . . 115 GLU HA . 16517 1 1338 . 1 1 115 115 GLU HB2 H 1 2.34 0.02 . 2 . . . . 115 GLU HB2 . 16517 1 1339 . 1 1 115 115 GLU HB3 H 1 2.20 0.02 . 2 . . . . 115 GLU HB3 . 16517 1 1340 . 1 1 115 115 GLU HG2 H 1 2.67 0.02 . 2 . . . . 115 GLU HG2 . 16517 1 1341 . 1 1 115 115 GLU HG3 H 1 2.51 0.02 . 2 . . . . 115 GLU HG3 . 16517 1 1342 . 1 1 115 115 GLU C C 13 178.8 0.2 . 1 . . . . 115 GLU C . 16517 1 1343 . 1 1 115 115 GLU CA C 13 60.1 0.2 . 1 . . . . 115 GLU CA . 16517 1 1344 . 1 1 115 115 GLU CB C 13 30.0 0.2 . 1 . . . . 115 GLU CB . 16517 1 1345 . 1 1 115 115 GLU CG C 13 36.7 0.2 . 1 . . . . 115 GLU CG . 16517 1 1346 . 1 1 115 115 GLU N N 15 119.3 0.2 . 1 . . . . 115 GLU N . 16517 1 1347 . 1 1 116 116 ALA H H 1 7.39 0.02 . 1 . . . . 116 ALA H . 16517 1 1348 . 1 1 116 116 ALA HA H 1 4.21 0.02 . 1 . . . . 116 ALA HA . 16517 1 1349 . 1 1 116 116 ALA HB1 H 1 1.52 0.02 . 1 . . . . 116 ALA MB . 16517 1 1350 . 1 1 116 116 ALA HB2 H 1 1.52 0.02 . 1 . . . . 116 ALA MB . 16517 1 1351 . 1 1 116 116 ALA HB3 H 1 1.52 0.02 . 1 . . . . 116 ALA MB . 16517 1 1352 . 1 1 116 116 ALA C C 13 179.7 0.2 . 1 . . . . 116 ALA C . 16517 1 1353 . 1 1 116 116 ALA CA C 13 54.6 0.2 . 1 . . . . 116 ALA CA . 16517 1 1354 . 1 1 116 116 ALA CB C 13 18.2 0.2 . 1 . . . . 116 ALA CB . 16517 1 1355 . 1 1 116 116 ALA N N 15 118.2 0.2 . 1 . . . . 116 ALA N . 16517 1 1356 . 1 1 117 117 TYR H H 1 7.78 0.02 . 1 . . . . 117 TYR H . 16517 1 1357 . 1 1 117 117 TYR HA H 1 3.89 0.02 . 1 . . . . 117 TYR HA . 16517 1 1358 . 1 1 117 117 TYR HB2 H 1 2.98 0.02 . 2 . . . . 117 TYR HB2 . 16517 1 1359 . 1 1 117 117 TYR HB3 H 1 2.48 0.02 . 2 . . . . 117 TYR HB3 . 16517 1 1360 . 1 1 117 117 TYR HD1 H 1 5.77 0.02 . 3 . . . . 117 TYR HD1 . 16517 1 1361 . 1 1 117 117 TYR HD2 H 1 5.77 0.02 . 3 . . . . 117 TYR HD2 . 16517 1 1362 . 1 1 117 117 TYR HE1 H 1 5.91 0.02 . 3 . . . . 117 TYR HE1 . 16517 1 1363 . 1 1 117 117 TYR HE2 H 1 5.92 0.02 . 3 . . . . 117 TYR HE2 . 16517 1 1364 . 1 1 117 117 TYR C C 13 177.3 0.2 . 1 . . . . 117 TYR C . 16517 1 1365 . 1 1 117 117 TYR CA C 13 61.1 0.2 . 1 . . . . 117 TYR CA . 16517 1 1366 . 1 1 117 117 TYR CB C 13 39.2 0.2 . 1 . . . . 117 TYR CB . 16517 1 1367 . 1 1 117 117 TYR CD1 C 13 133.7 0.2 . 3 . . . . 117 TYR CD1 . 16517 1 1368 . 1 1 117 117 TYR CD2 C 13 133.7 0.2 . 3 . . . . 117 TYR CD2 . 16517 1 1369 . 1 1 117 117 TYR CE1 C 13 116.8 0.2 . 3 . . . . 117 TYR CE1 . 16517 1 1370 . 1 1 117 117 TYR CE2 C 13 116.8 0.2 . 3 . . . . 117 TYR CE2 . 16517 1 1371 . 1 1 117 117 TYR N N 15 120.2 0.2 . 1 . . . . 117 TYR N . 16517 1 1372 . 1 1 118 118 PHE H H 1 7.96 0.02 . 1 . . . . 118 PHE H . 16517 1 1373 . 1 1 118 118 PHE HB2 H 1 3.60 0.02 . 2 . . . . 118 PHE HB2 . 16517 1 1374 . 1 1 118 118 PHE HB3 H 1 3.00 0.02 . 2 . . . . 118 PHE HB3 . 16517 1 1375 . 1 1 118 118 PHE HD1 H 1 7.67 0.02 . 3 . . . . 118 PHE HD1 . 16517 1 1376 . 1 1 118 118 PHE HD2 H 1 7.67 0.02 . 3 . . . . 118 PHE HD2 . 16517 1 1377 . 1 1 118 118 PHE HE1 H 1 6.95 0.02 . 3 . . . . 118 PHE HE1 . 16517 1 1378 . 1 1 118 118 PHE HE2 H 1 6.95 0.02 . 3 . . . . 118 PHE HE2 . 16517 1 1379 . 1 1 118 118 PHE C C 13 174.9 0.2 . 1 . . . . 118 PHE C . 16517 1 1380 . 1 1 118 118 PHE CA C 13 57.85 . . 1 . . . . 118 PHE CA . 16517 1 1381 . 1 1 118 118 PHE CB C 13 39.1 0.2 . 1 . . . . 118 PHE CB . 16517 1 1382 . 1 1 118 118 PHE CD1 C 13 133.0 0.2 . 3 . . . . 118 PHE CD1 . 16517 1 1383 . 1 1 118 118 PHE CD2 C 13 133.0 0.2 . 3 . . . . 118 PHE CD2 . 16517 1 1384 . 1 1 118 118 PHE CE1 C 13 130.9 0.2 . 3 . . . . 118 PHE CE1 . 16517 1 1385 . 1 1 118 118 PHE CE2 C 13 130.9 0.2 . 3 . . . . 118 PHE CE2 . 16517 1 1386 . 1 1 118 118 PHE N N 15 113.1 0.2 . 1 . . . . 118 PHE N . 16517 1 1387 . 1 1 119 119 LYS H H 1 7.67 0.02 . 1 . . . . 119 LYS H . 16517 1 1388 . 1 1 119 119 LYS HA H 1 4.21 0.02 . 1 . . . . 119 LYS HA . 16517 1 1389 . 1 1 119 119 LYS HB2 H 1 2.02 0.02 . 2 . . . . 119 LYS HB2 . 16517 1 1390 . 1 1 119 119 LYS HB3 H 1 1.96 0.02 . 2 . . . . 119 LYS HB3 . 16517 1 1391 . 1 1 119 119 LYS HD2 H 1 1.69 0.02 . 2 . . . . 119 LYS HD2 . 16517 1 1392 . 1 1 119 119 LYS HD3 H 1 1.69 0.02 . 2 . . . . 119 LYS HD3 . 16517 1 1393 . 1 1 119 119 LYS HE2 H 1 2.99 0.02 . 2 . . . . 119 LYS HE2 . 16517 1 1394 . 1 1 119 119 LYS HE3 H 1 2.99 0.02 . 2 . . . . 119 LYS HE3 . 16517 1 1395 . 1 1 119 119 LYS HG2 H 1 1.50 0.02 . 2 . . . . 119 LYS HG2 . 16517 1 1396 . 1 1 119 119 LYS HG3 H 1 1.50 0.02 . 2 . . . . 119 LYS HG3 . 16517 1 1397 . 1 1 119 119 LYS CA C 13 57.3 0.2 . 1 . . . . 119 LYS CA . 16517 1 1398 . 1 1 119 119 LYS CB C 13 31.2 0.2 . 1 . . . . 119 LYS CB . 16517 1 1399 . 1 1 119 119 LYS CD C 13 29.1 0.2 . 1 . . . . 119 LYS CD . 16517 1 1400 . 1 1 119 119 LYS CE C 13 42.2 0.2 . 1 . . . . 119 LYS CE . 16517 1 1401 . 1 1 119 119 LYS CG C 13 24.8 0.2 . 1 . . . . 119 LYS CG . 16517 1 1402 . 1 1 119 119 LYS N N 15 120.2 0.2 . 1 . . . . 119 LYS N . 16517 1 1403 . 1 1 120 120 LEU H H 1 8.00 0.02 . 1 . . . . 120 LEU H . 16517 1 1404 . 1 1 120 120 LEU HA H 1 4.30 0.02 . 1 . . . . 120 LEU HA . 16517 1 1405 . 1 1 120 120 LEU HB2 H 1 1.68 0.02 . 2 . . . . 120 LEU HB2 . 16517 1 1406 . 1 1 120 120 LEU HB3 H 1 1.68 0.02 . 2 . . . . 120 LEU HB3 . 16517 1 1407 . 1 1 120 120 LEU CA C 13 56.5 0.2 . 1 . . . . 120 LEU CA . 16517 1 1408 . 1 1 120 120 LEU CB C 13 43.6 0.2 . 1 . . . . 120 LEU CB . 16517 1 1409 . 1 1 120 120 LEU N N 15 127.4 0.2 . 1 . . . . 120 LEU N . 16517 1 stop_ save_