data_15517 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15517 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for ca-free rat alpha-parvalbumin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-10 _Entry.Accession_date 2007-10-10 _Entry.Last_release_date 2008-06-26 _Entry.Original_release_date 2008-06-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Michael Henzl . T. . 15517 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Missouri Department of Biochemistry' . 15517 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15517 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 438 15517 '15N chemical shifts' 108 15517 '1H chemical shifts' 726 15517 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-06-26 2007-10-10 original author . 15517 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15517 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18218708 _Citation.Full_citation . _Citation.Title 'Solution structure of Ca2+-free rat alpha-parvalbumin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 3 _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 431 _Citation.Page_last 438 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael Henzl . T. . 15517 1 2 John Tanner . J. . 15517 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15517 _Assembly.ID 1 _Assembly.Name 'rat alpha-parvalbumin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'subunit 1' 1 $parvalbumin A . yes native no no . . . 15517 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_parvalbumin _Entity.Sf_category entity _Entity.Sf_framecode parvalbumin _Entity.Entry_ID 15517 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name parvalbumin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SMTDLLSAEDIKKAIGAFTA ADSFDHKKFFQMVGLKKKSA DDVKKVFHILDKDKSGFIEE DELGSILKGFSSDARDLSAK ETKTLMAAGDKDGDGKIGVE EFSTLVAES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-11-26 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 1G33 . "Crystal Structure Of Rat Parvalbumin Without The N-Terminal Domain" . . . . . 66.06 73 100.00 100.00 1.16e-38 . . . . 15517 1 2 no PDB 1RTP . "Refined X-ray Structure Of Rat Parvalbumin, A Mammalian Alpha-lineage Parvalbumin, At 2.0 A Resolution" . . . . . 100.00 109 100.00 100.00 1.58e-65 . . . . 15517 1 3 no PDB 1RWY . "Crystal Structure Of Rat Alpha-parvalbumin At 1.05 Resolution" . . . . . 100.00 109 100.00 100.00 1.58e-65 . . . . 15517 1 4 no PDB 1S3P . "Crystal Structure Of Rat Alpha-parvalbumin S55d/e59d Mutant" . . . . . 100.00 109 98.17 99.08 5.24e-64 . . . . 15517 1 5 no PDB 1XVJ . "Crystal Structure Of Rat Alpha-Parvalbumin D94sG98E MUTANT" . . . . . 100.00 109 98.17 98.17 1.06e-63 . . . . 15517 1 6 no PDB 2JWW . "Calcium-Free Rat Alpha-Parvalbumin" . . . . . 100.00 109 100.00 100.00 1.58e-65 . . . . 15517 1 7 no PDB 3F45 . "Structure Of The R75a Mutant Of Rat Alpha-Parvalbumin" . . . . . 100.00 109 99.08 99.08 2.17e-64 . . . . 15517 1 8 no GB AAA41799 . "parvalbumin [Rattus norvegicus]" . . . . . 100.00 110 100.00 100.00 1.23e-65 . . . . 15517 1 9 no GB AAA41800 . "parvalbumin [Rattus norvegicus]" . . . . . 100.00 110 100.00 100.00 1.23e-65 . . . . 15517 1 10 no GB AAI26091 . "Parvalbumin [Rattus norvegicus]" . . . . . 100.00 110 100.00 100.00 1.23e-65 . . . . 15517 1 11 no GB EDM15886 . "parvalbumin, isoform CRA_a [Rattus norvegicus]" . . . . . 71.56 78 100.00 100.00 5.97e-43 . . . . 15517 1 12 no GB EDM15887 . "parvalbumin, isoform CRA_b [Rattus norvegicus]" . . . . . 91.74 140 100.00 100.00 7.11e-60 . . . . 15517 1 13 no REF NP_071944 . "parvalbumin alpha [Rattus norvegicus]" . . . . . 100.00 110 100.00 100.00 1.23e-65 . . . . 15517 1 14 no REF XP_006241991 . "PREDICTED: parvalbumin alpha isoform X1 [Rattus norvegicus]" . . . . . 100.00 110 100.00 100.00 1.23e-65 . . . . 15517 1 15 no SP P02625 . "RecName: Full=Parvalbumin alpha" . . . . . 100.00 110 100.00 100.00 1.23e-65 . . . . 15517 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 15517 1 2 . MET . 15517 1 3 . THR . 15517 1 4 . ASP . 15517 1 5 . LEU . 15517 1 6 . LEU . 15517 1 7 . SER . 15517 1 8 . ALA . 15517 1 9 . GLU . 15517 1 10 . ASP . 15517 1 11 . ILE . 15517 1 12 . LYS . 15517 1 13 . LYS . 15517 1 14 . ALA . 15517 1 15 . ILE . 15517 1 16 . GLY . 15517 1 17 . ALA . 15517 1 18 . PHE . 15517 1 19 . THR . 15517 1 20 . ALA . 15517 1 21 . ALA . 15517 1 22 . ASP . 15517 1 23 . SER . 15517 1 24 . PHE . 15517 1 25 . ASP . 15517 1 26 . HIS . 15517 1 27 . LYS . 15517 1 28 . LYS . 15517 1 29 . PHE . 15517 1 30 . PHE . 15517 1 31 . GLN . 15517 1 32 . MET . 15517 1 33 . VAL . 15517 1 34 . GLY . 15517 1 35 . LEU . 15517 1 36 . LYS . 15517 1 37 . LYS . 15517 1 38 . LYS . 15517 1 39 . SER . 15517 1 40 . ALA . 15517 1 41 . ASP . 15517 1 42 . ASP . 15517 1 43 . VAL . 15517 1 44 . LYS . 15517 1 45 . LYS . 15517 1 46 . VAL . 15517 1 47 . PHE . 15517 1 48 . HIS . 15517 1 49 . ILE . 15517 1 50 . LEU . 15517 1 51 . ASP . 15517 1 52 . LYS . 15517 1 53 . ASP . 15517 1 54 . LYS . 15517 1 55 . SER . 15517 1 56 . GLY . 15517 1 57 . PHE . 15517 1 58 . ILE . 15517 1 59 . GLU . 15517 1 60 . GLU . 15517 1 61 . ASP . 15517 1 62 . GLU . 15517 1 63 . LEU . 15517 1 64 . GLY . 15517 1 65 . SER . 15517 1 66 . ILE . 15517 1 67 . LEU . 15517 1 68 . LYS . 15517 1 69 . GLY . 15517 1 70 . PHE . 15517 1 71 . SER . 15517 1 72 . SER . 15517 1 73 . ASP . 15517 1 74 . ALA . 15517 1 75 . ARG . 15517 1 76 . ASP . 15517 1 77 . LEU . 15517 1 78 . SER . 15517 1 79 . ALA . 15517 1 80 . LYS . 15517 1 81 . GLU . 15517 1 82 . THR . 15517 1 83 . LYS . 15517 1 84 . THR . 15517 1 85 . LEU . 15517 1 86 . MET . 15517 1 87 . ALA . 15517 1 88 . ALA . 15517 1 89 . GLY . 15517 1 90 . ASP . 15517 1 91 . LYS . 15517 1 92 . ASP . 15517 1 93 . GLY . 15517 1 94 . ASP . 15517 1 95 . GLY . 15517 1 96 . LYS . 15517 1 97 . ILE . 15517 1 98 . GLY . 15517 1 99 . VAL . 15517 1 100 . GLU . 15517 1 101 . GLU . 15517 1 102 . PHE . 15517 1 103 . SER . 15517 1 104 . THR . 15517 1 105 . LEU . 15517 1 106 . VAL . 15517 1 107 . ALA . 15517 1 108 . GLU . 15517 1 109 . SER . 15517 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 15517 1 . MET 2 2 15517 1 . THR 3 3 15517 1 . ASP 4 4 15517 1 . LEU 5 5 15517 1 . LEU 6 6 15517 1 . SER 7 7 15517 1 . ALA 8 8 15517 1 . GLU 9 9 15517 1 . ASP 10 10 15517 1 . ILE 11 11 15517 1 . LYS 12 12 15517 1 . LYS 13 13 15517 1 . ALA 14 14 15517 1 . ILE 15 15 15517 1 . GLY 16 16 15517 1 . ALA 17 17 15517 1 . PHE 18 18 15517 1 . THR 19 19 15517 1 . ALA 20 20 15517 1 . ALA 21 21 15517 1 . ASP 22 22 15517 1 . SER 23 23 15517 1 . PHE 24 24 15517 1 . ASP 25 25 15517 1 . HIS 26 26 15517 1 . LYS 27 27 15517 1 . LYS 28 28 15517 1 . PHE 29 29 15517 1 . PHE 30 30 15517 1 . GLN 31 31 15517 1 . MET 32 32 15517 1 . VAL 33 33 15517 1 . GLY 34 34 15517 1 . LEU 35 35 15517 1 . LYS 36 36 15517 1 . LYS 37 37 15517 1 . LYS 38 38 15517 1 . SER 39 39 15517 1 . ALA 40 40 15517 1 . ASP 41 41 15517 1 . ASP 42 42 15517 1 . VAL 43 43 15517 1 . LYS 44 44 15517 1 . LYS 45 45 15517 1 . VAL 46 46 15517 1 . PHE 47 47 15517 1 . HIS 48 48 15517 1 . ILE 49 49 15517 1 . LEU 50 50 15517 1 . ASP 51 51 15517 1 . LYS 52 52 15517 1 . ASP 53 53 15517 1 . LYS 54 54 15517 1 . SER 55 55 15517 1 . GLY 56 56 15517 1 . PHE 57 57 15517 1 . ILE 58 58 15517 1 . GLU 59 59 15517 1 . GLU 60 60 15517 1 . ASP 61 61 15517 1 . GLU 62 62 15517 1 . LEU 63 63 15517 1 . GLY 64 64 15517 1 . SER 65 65 15517 1 . ILE 66 66 15517 1 . LEU 67 67 15517 1 . LYS 68 68 15517 1 . GLY 69 69 15517 1 . PHE 70 70 15517 1 . SER 71 71 15517 1 . SER 72 72 15517 1 . ASP 73 73 15517 1 . ALA 74 74 15517 1 . ARG 75 75 15517 1 . ASP 76 76 15517 1 . LEU 77 77 15517 1 . SER 78 78 15517 1 . ALA 79 79 15517 1 . LYS 80 80 15517 1 . GLU 81 81 15517 1 . THR 82 82 15517 1 . LYS 83 83 15517 1 . THR 84 84 15517 1 . LEU 85 85 15517 1 . MET 86 86 15517 1 . ALA 87 87 15517 1 . ALA 88 88 15517 1 . GLY 89 89 15517 1 . ASP 90 90 15517 1 . LYS 91 91 15517 1 . ASP 92 92 15517 1 . GLY 93 93 15517 1 . ASP 94 94 15517 1 . GLY 95 95 15517 1 . LYS 96 96 15517 1 . ILE 97 97 15517 1 . GLY 98 98 15517 1 . VAL 99 99 15517 1 . GLU 100 100 15517 1 . GLU 101 101 15517 1 . PHE 102 102 15517 1 . SER 103 103 15517 1 . THR 104 104 15517 1 . LEU 105 105 15517 1 . VAL 106 106 15517 1 . ALA 107 107 15517 1 . GLU 108 108 15517 1 . SER 109 109 15517 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 15517 _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 $parvalbumin . 10116 organism . 'Rattus norvegicus' rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 15517 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 15517 _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 $parvalbumin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET11 . . . . . . 15517 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15517 _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 alpha-parvalbumin '[U-100% 15N]' . . 1 $parvalbumin . . 3 . . mM 0.3 . . . 15517 1 2 MES 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 15517 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 1 . . . 15517 1 4 EDTA 'natural abundance' . . . . . . 5 . . mM .05 . . . 15517 1 5 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % 0.001 . . . 15517 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15517 1 7 D2O . . . . . . . 10 . . % . . . . 15517 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15517 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 alpha-parvalbumin '[U-98% 13C; U-98% 15N]' . . 1 $parvalbumin . . 3 . . mM 0.3 . . . 15517 2 2 MES 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 15517 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 1 . . . 15517 2 4 EDTA 'natural abundance' . . . . . . 5 . . mM .05 . . . 15517 2 5 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % 0.001 . . . 15517 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15517 2 7 D2O . . . . . . . 10 . . % . . . . 15517 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 15517 _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' 170 5 mM 15517 1 pH 6.0 0.05 pH 15517 1 pressure 1 . atm 15517 1 temperature 298 0.5 K 15517 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15517 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15517 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15517 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15517 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15517 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15517 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15517 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15517 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15517 3 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 15517 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15517 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15517 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 15517 _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 . . . . . . . . . . . . . . . . 15517 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15517 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15517 1 4 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15517 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15517 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15517 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15517 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15517 1 9 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15517 1 10 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15517 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15517 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 15517 _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 . . . 1 $citation_1 . . 1 $citation_1 15517 1 H 1 water protons . . . . ppm 4.78 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 15517 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 15517 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 15517 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15517 1 7 '3D HNCACB' . . . 15517 1 8 '3D HBHA(CO)NH' . . . 15517 1 11 '3D HCCH-TOCSY' . . . 15517 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER C C 13 178.200 0.10 . 1 . . . . 1 SER C . 15517 1 2 . 1 1 2 2 MET HA H 1 4.426 0.02 . 1 . . . . 2 MET HA . 15517 1 3 . 1 1 2 2 MET HB2 H 1 2.130 0.02 . 2 . . . . 2 MET HB2 . 15517 1 4 . 1 1 2 2 MET HB3 H 1 2.210 0.02 . 2 . . . . 2 MET HB3 . 15517 1 5 . 1 1 2 2 MET HG2 H 1 2.620 0.02 . 2 . . . . 2 MET HG2 . 15517 1 6 . 1 1 2 2 MET HG3 H 1 2.510 0.02 . 2 . . . . 2 MET HG3 . 15517 1 7 . 1 1 2 2 MET C C 13 178.200 0.10 . 1 . . . . 2 MET C . 15517 1 8 . 1 1 2 2 MET CA C 13 57.600 0.05 . 1 . . . . 2 MET CA . 15517 1 9 . 1 1 2 2 MET CB C 13 31.900 0.05 . 1 . . . . 2 MET CB . 15517 1 10 . 1 1 2 2 MET CG C 13 32.400 0.05 . 1 . . . . 2 MET CG . 15517 1 11 . 1 1 3 3 THR H H 1 7.791 0.02 . 1 . . . . 3 THR H . 15517 1 12 . 1 1 3 3 THR HA H 1 4.908 0.02 . 1 . . . . 3 THR HA . 15517 1 13 . 1 1 3 3 THR HB H 1 4.590 0.02 . 1 . . . . 3 THR HB . 15517 1 14 . 1 1 3 3 THR HG21 H 1 1.293 0.02 . 2 . . . . 3 THR HG2 . 15517 1 15 . 1 1 3 3 THR HG22 H 1 1.293 0.02 . 2 . . . . 3 THR HG2 . 15517 1 16 . 1 1 3 3 THR HG23 H 1 1.293 0.02 . 2 . . . . 3 THR HG2 . 15517 1 17 . 1 1 3 3 THR C C 13 175.300 0.10 . 1 . . . . 3 THR C . 15517 1 18 . 1 1 3 3 THR CA C 13 62.927 0.05 . 1 . . . . 3 THR CA . 15517 1 19 . 1 1 3 3 THR CB C 13 67.923 0.05 . 1 . . . . 3 THR CB . 15517 1 20 . 1 1 3 3 THR CG2 C 13 22.400 0.05 . 1 . . . . 3 THR CG2 . 15517 1 21 . 1 1 3 3 THR N N 15 106.600 0.05 . 1 . . . . 3 THR N . 15517 1 22 . 1 1 4 4 ASP H H 1 7.618 0.02 . 1 . . . . 4 ASP H . 15517 1 23 . 1 1 4 4 ASP HA H 1 4.648 0.02 . 1 . . . . 4 ASP HA . 15517 1 24 . 1 1 4 4 ASP HB2 H 1 2.770 0.02 . 2 . . . . 4 ASP HB2 . 15517 1 25 . 1 1 4 4 ASP HB3 H 1 2.770 0.02 . 2 . . . . 4 ASP HB3 . 15517 1 26 . 1 1 4 4 ASP C C 13 176.300 0.10 . 1 . . . . 4 ASP C . 15517 1 27 . 1 1 4 4 ASP CA C 13 55.850 0.05 . 1 . . . . 4 ASP CA . 15517 1 28 . 1 1 4 4 ASP CB C 13 41.200 0.05 . 1 . . . . 4 ASP CB . 15517 1 29 . 1 1 4 4 ASP N N 15 119.000 0.05 . 1 . . . . 4 ASP N . 15517 1 30 . 1 1 5 5 LEU H H 1 7.460 0.02 . 1 . . . . 5 LEU H . 15517 1 31 . 1 1 5 5 LEU HA H 1 4.367 0.02 . 1 . . . . 5 LEU HA . 15517 1 32 . 1 1 5 5 LEU HB2 H 1 1.837 0.02 . 2 . . . . 5 LEU HB2 . 15517 1 33 . 1 1 5 5 LEU HB3 H 1 1.273 0.02 . 2 . . . . 5 LEU HB3 . 15517 1 34 . 1 1 5 5 LEU HD11 H 1 0.860 0.02 . 2 . . . . 5 LEU HD1 . 15517 1 35 . 1 1 5 5 LEU HD12 H 1 0.860 0.02 . 2 . . . . 5 LEU HD1 . 15517 1 36 . 1 1 5 5 LEU HD13 H 1 0.860 0.02 . 2 . . . . 5 LEU HD1 . 15517 1 37 . 1 1 5 5 LEU HD21 H 1 0.835 0.02 . 2 . . . . 5 LEU HD2 . 15517 1 38 . 1 1 5 5 LEU HD22 H 1 0.835 0.02 . 2 . . . . 5 LEU HD2 . 15517 1 39 . 1 1 5 5 LEU HD23 H 1 0.835 0.02 . 2 . . . . 5 LEU HD2 . 15517 1 40 . 1 1 5 5 LEU HG H 1 1.570 0.02 . 1 . . . . 5 LEU HG . 15517 1 41 . 1 1 5 5 LEU C C 13 175.400 0.10 . 1 . . . . 5 LEU C . 15517 1 42 . 1 1 5 5 LEU CA C 13 56.300 0.05 . 1 . . . . 5 LEU CA . 15517 1 43 . 1 1 5 5 LEU CB C 13 45.370 0.05 . 1 . . . . 5 LEU CB . 15517 1 44 . 1 1 5 5 LEU CD1 C 13 26.500 0.05 . 1 . . . . 5 LEU CD1 . 15517 1 45 . 1 1 5 5 LEU CD2 C 13 23.600 0.05 . 1 . . . . 5 LEU CD2 . 15517 1 46 . 1 1 5 5 LEU CG C 13 27.340 0.05 . 1 . . . . 5 LEU CG . 15517 1 47 . 1 1 5 5 LEU N N 15 119.200 0.05 . 1 . . . . 5 LEU N . 15517 1 48 . 1 1 6 6 LEU H H 1 7.930 0.02 . 1 . . . . 6 LEU H . 15517 1 49 . 1 1 6 6 LEU HA H 1 4.721 0.02 . 1 . . . . 6 LEU HA . 15517 1 50 . 1 1 6 6 LEU HB2 H 1 1.616 0.02 . 2 . . . . 6 LEU HB2 . 15517 1 51 . 1 1 6 6 LEU HB3 H 1 1.616 0.02 . 2 . . . . 6 LEU HB3 . 15517 1 52 . 1 1 6 6 LEU HD11 H 1 1.210 0.02 . 2 . . . . 6 LEU HD1 . 15517 1 53 . 1 1 6 6 LEU HD12 H 1 1.210 0.02 . 2 . . . . 6 LEU HD1 . 15517 1 54 . 1 1 6 6 LEU HD13 H 1 1.210 0.02 . 2 . . . . 6 LEU HD1 . 15517 1 55 . 1 1 6 6 LEU HD21 H 1 0.921 0.02 . 2 . . . . 6 LEU HD2 . 15517 1 56 . 1 1 6 6 LEU HD22 H 1 0.921 0.02 . 2 . . . . 6 LEU HD2 . 15517 1 57 . 1 1 6 6 LEU HD23 H 1 0.921 0.02 . 2 . . . . 6 LEU HD2 . 15517 1 58 . 1 1 6 6 LEU HG H 1 1.590 0.02 . 1 . . . . 6 LEU HG . 15517 1 59 . 1 1 6 6 LEU C C 13 175.100 0.10 . 1 . . . . 6 LEU C . 15517 1 60 . 1 1 6 6 LEU CA C 13 52.300 0.05 . 1 . . . . 6 LEU CA . 15517 1 61 . 1 1 6 6 LEU CB C 13 45.100 0.05 . 1 . . . . 6 LEU CB . 15517 1 62 . 1 1 6 6 LEU CD1 C 13 27.180 0.05 . 1 . . . . 6 LEU CD1 . 15517 1 63 . 1 1 6 6 LEU CD2 C 13 22.500 0.05 . 1 . . . . 6 LEU CD2 . 15517 1 64 . 1 1 6 6 LEU CG C 13 27.000 0.05 . 1 . . . . 6 LEU CG . 15517 1 65 . 1 1 6 6 LEU N N 15 118.330 0.05 . 1 . . . . 6 LEU N . 15517 1 66 . 1 1 7 7 SER H H 1 8.446 0.02 . 1 . . . . 7 SER H . 15517 1 67 . 1 1 7 7 SER HA H 1 4.554 0.02 . 1 . . . . 7 SER HA . 15517 1 68 . 1 1 7 7 SER HB2 H 1 4.119 0.02 . 2 . . . . 7 SER HB2 . 15517 1 69 . 1 1 7 7 SER HB3 H 1 3.941 0.02 . 2 . . . . 7 SER HB3 . 15517 1 70 . 1 1 7 7 SER C C 13 176.700 0.10 . 1 . . . . 7 SER C . 15517 1 71 . 1 1 7 7 SER CA C 13 57.300 0.05 . 1 . . . . 7 SER CA . 15517 1 72 . 1 1 7 7 SER CB C 13 63.700 0.05 . 1 . . . . 7 SER CB . 15517 1 73 . 1 1 7 7 SER N N 15 113.700 0.05 . 1 . . . . 7 SER N . 15517 1 74 . 1 1 8 8 ALA H H 1 9.268 0.02 . 1 . . . . 8 ALA H . 15517 1 75 . 1 1 8 8 ALA HA H 1 4.017 0.02 . 1 . . . . 8 ALA HA . 15517 1 76 . 1 1 8 8 ALA HB1 H 1 1.554 0.02 . 2 . . . . 8 ALA HB . 15517 1 77 . 1 1 8 8 ALA HB2 H 1 1.554 0.02 . 2 . . . . 8 ALA HB . 15517 1 78 . 1 1 8 8 ALA HB3 H 1 1.554 0.02 . 2 . . . . 8 ALA HB . 15517 1 79 . 1 1 8 8 ALA C C 13 180.200 0.10 . 1 . . . . 8 ALA C . 15517 1 80 . 1 1 8 8 ALA CA C 13 55.571 0.05 . 1 . . . . 8 ALA CA . 15517 1 81 . 1 1 8 8 ALA CB C 13 18.500 0.05 . 1 . . . . 8 ALA CB . 15517 1 82 . 1 1 8 8 ALA N N 15 130.285 0.05 . 1 . . . . 8 ALA N . 15517 1 83 . 1 1 9 9 GLU H H 1 8.443 0.02 . 1 . . . . 9 GLU H . 15517 1 84 . 1 1 9 9 GLU HA H 1 4.064 0.02 . 1 . . . . 9 GLU HA . 15517 1 85 . 1 1 9 9 GLU HB2 H 1 1.977 0.02 . 2 . . . . 9 GLU HB2 . 15517 1 86 . 1 1 9 9 GLU HB3 H 1 1.977 0.02 . 2 . . . . 9 GLU HB3 . 15517 1 87 . 1 1 9 9 GLU HG2 H 1 2.314 0.02 . 2 . . . . 9 GLU HG2 . 15517 1 88 . 1 1 9 9 GLU HG3 H 1 2.314 0.02 . 2 . . . . 9 GLU HG3 . 15517 1 89 . 1 1 9 9 GLU C C 13 178.800 0.10 . 1 . . . . 9 GLU C . 15517 1 90 . 1 1 9 9 GLU CA C 13 59.200 0.05 . 1 . . . . 9 GLU CA . 15517 1 91 . 1 1 9 9 GLU CB C 13 29.370 0.05 . 1 . . . . 9 GLU CB . 15517 1 92 . 1 1 9 9 GLU CG C 13 36.230 0.05 . 1 . . . . 9 GLU CG . 15517 1 93 . 1 1 9 9 GLU N N 15 117.700 0.05 . 1 . . . . 9 GLU N . 15517 1 94 . 1 1 10 10 ASP H H 1 7.341 0.02 . 1 . . . . 10 ASP H . 15517 1 95 . 1 1 10 10 ASP HA H 1 4.459 0.02 . 1 . . . . 10 ASP HA . 15517 1 96 . 1 1 10 10 ASP HB2 H 1 2.886 0.02 . 2 . . . . 10 ASP HB2 . 15517 1 97 . 1 1 10 10 ASP HB3 H 1 2.886 0.02 . 2 . . . . 10 ASP HB3 . 15517 1 98 . 1 1 10 10 ASP C C 13 178.700 0.10 . 1 . . . . 10 ASP C . 15517 1 99 . 1 1 10 10 ASP CA C 13 57.100 0.05 . 1 . . . . 10 ASP CA . 15517 1 100 . 1 1 10 10 ASP CB C 13 39.500 0.05 . 1 . . . . 10 ASP CB . 15517 1 101 . 1 1 10 10 ASP N N 15 121.300 0.05 . 1 . . . . 10 ASP N . 15517 1 102 . 1 1 11 11 ILE H H 1 8.313 0.02 . 1 . . . . 11 ILE H . 15517 1 103 . 1 1 11 11 ILE HA H 1 3.603 0.02 . 1 . . . . 11 ILE HA . 15517 1 104 . 1 1 11 11 ILE HB H 1 1.947 0.02 . 1 . . . . 11 ILE HB . 15517 1 105 . 1 1 11 11 ILE HD11 H 1 0.970 0.02 . 2 . . . . 11 ILE HD1 . 15517 1 106 . 1 1 11 11 ILE HD12 H 1 0.970 0.02 . 2 . . . . 11 ILE HD1 . 15517 1 107 . 1 1 11 11 ILE HD13 H 1 0.970 0.02 . 2 . . . . 11 ILE HD1 . 15517 1 108 . 1 1 11 11 ILE HG12 H 1 0.870 0.02 . 2 . . . . 11 ILE HG12 . 15517 1 109 . 1 1 11 11 ILE HG13 H 1 0.870 0.02 . 2 . . . . 11 ILE HG13 . 15517 1 110 . 1 1 11 11 ILE HG21 H 1 1.010 0.02 . 2 . . . . 11 ILE HG2 . 15517 1 111 . 1 1 11 11 ILE HG22 H 1 1.010 0.02 . 2 . . . . 11 ILE HG2 . 15517 1 112 . 1 1 11 11 ILE HG23 H 1 1.010 0.02 . 2 . . . . 11 ILE HG2 . 15517 1 113 . 1 1 11 11 ILE C C 13 176.600 0.10 . 1 . . . . 11 ILE C . 15517 1 114 . 1 1 11 11 ILE CA C 13 66.621 0.05 . 1 . . . . 11 ILE CA . 15517 1 115 . 1 1 11 11 ILE CB C 13 38.817 0.05 . 1 . . . . 11 ILE CB . 15517 1 116 . 1 1 11 11 ILE CD1 C 13 14.200 0.05 . 1 . . . . 11 ILE CD1 . 15517 1 117 . 1 1 11 11 ILE CG1 C 13 30.100 0.05 . 1 . . . . 11 ILE CG1 . 15517 1 118 . 1 1 11 11 ILE CG2 C 13 18.500 0.05 . 1 . . . . 11 ILE CG2 . 15517 1 119 . 1 1 11 11 ILE N N 15 119.900 0.05 . 1 . . . . 11 ILE N . 15517 1 120 . 1 1 12 12 LYS H H 1 7.940 0.02 . 1 . . . . 12 LYS H . 15517 1 121 . 1 1 12 12 LYS HA H 1 3.961 0.02 . 1 . . . . 12 LYS HA . 15517 1 122 . 1 1 12 12 LYS HB2 H 1 1.910 0.02 . 2 . . . . 12 LYS HB2 . 15517 1 123 . 1 1 12 12 LYS HB3 H 1 1.910 0.02 . 2 . . . . 12 LYS HB3 . 15517 1 124 . 1 1 12 12 LYS HD2 H 1 1.680 0.02 . 2 . . . . 12 LYS HD2 . 15517 1 125 . 1 1 12 12 LYS HD3 H 1 1.680 0.02 . 2 . . . . 12 LYS HD3 . 15517 1 126 . 1 1 12 12 LYS HE2 H 1 2.940 0.02 . 2 . . . . 12 LYS HE2 . 15517 1 127 . 1 1 12 12 LYS HE3 H 1 2.940 0.02 . 1 . . . . 12 LYS HE3 . 15517 1 128 . 1 1 12 12 LYS HG2 H 1 1.400 0.02 . 2 . . . . 12 LYS HG2 . 15517 1 129 . 1 1 12 12 LYS HG3 H 1 1.540 0.02 . 2 . . . . 12 LYS HG3 . 15517 1 130 . 1 1 12 12 LYS C C 13 180.200 0.10 . 1 . . . . 12 LYS C . 15517 1 131 . 1 1 12 12 LYS CA C 13 59.900 0.05 . 1 . . . . 12 LYS CA . 15517 1 132 . 1 1 12 12 LYS CB C 13 32.500 0.05 . 1 . . . . 12 LYS CB . 15517 1 133 . 1 1 12 12 LYS CD C 13 29.600 0.05 . 1 . . . . 12 LYS CD . 15517 1 134 . 1 1 12 12 LYS CE C 13 42.100 0.05 . 1 . . . . 12 LYS CE . 15517 1 135 . 1 1 12 12 LYS CG C 13 25.100 0.05 . 1 . . . . 12 LYS CG . 15517 1 136 . 1 1 12 12 LYS N N 15 118.400 0.05 . 1 . . . . 12 LYS N . 15517 1 137 . 1 1 13 13 LYS H H 1 7.767 0.02 . 1 . . . . 13 LYS H . 15517 1 138 . 1 1 13 13 LYS HA H 1 3.950 0.02 . 1 . . . . 13 LYS HA . 15517 1 139 . 1 1 13 13 LYS HB2 H 1 1.910 0.02 . 2 . . . . 13 LYS HB2 . 15517 1 140 . 1 1 13 13 LYS HB3 H 1 1.910 0.02 . 2 . . . . 13 LYS HB3 . 15517 1 141 . 1 1 13 13 LYS HD2 H 1 1.680 0.02 . 2 . . . . 13 LYS HD2 . 15517 1 142 . 1 1 13 13 LYS HD3 H 1 1.680 0.02 . 2 . . . . 13 LYS HD3 . 15517 1 143 . 1 1 13 13 LYS HE2 H 1 2.930 0.02 . 2 . . . . 13 LYS HE2 . 15517 1 144 . 1 1 13 13 LYS HE3 H 1 2.930 0.02 . 1 . . . . 13 LYS HE3 . 15517 1 145 . 1 1 13 13 LYS HG2 H 1 1.390 0.02 . 2 . . . . 13 LYS HG2 . 15517 1 146 . 1 1 13 13 LYS HG3 H 1 1.550 0.02 . 2 . . . . 13 LYS HG3 . 15517 1 147 . 1 1 13 13 LYS C C 13 178.600 0.10 . 1 . . . . 13 LYS C . 15517 1 148 . 1 1 13 13 LYS CA C 13 59.400 0.05 . 1 . . . . 13 LYS CA . 15517 1 149 . 1 1 13 13 LYS CB C 13 32.700 0.05 . 1 . . . . 13 LYS CB . 15517 1 150 . 1 1 13 13 LYS CD C 13 29.300 0.05 . 1 . . . . 13 LYS CD . 15517 1 151 . 1 1 13 13 LYS CE C 13 42.400 0.05 . 1 . . . . 13 LYS CE . 15517 1 152 . 1 1 13 13 LYS CG C 13 24.800 0.05 . 1 . . . . 13 LYS CG . 15517 1 153 . 1 1 13 13 LYS N N 15 119.400 0.05 . 1 . . . . 13 LYS N . 15517 1 154 . 1 1 14 14 ALA H H 1 8.350 0.02 . 1 . . . . 14 ALA H . 15517 1 155 . 1 1 14 14 ALA HA H 1 4.237 0.02 . 1 . . . . 14 ALA HA . 15517 1 156 . 1 1 14 14 ALA HB1 H 1 1.282 0.02 . 2 . . . . 14 ALA HB . 15517 1 157 . 1 1 14 14 ALA HB2 H 1 1.282 0.02 . 2 . . . . 14 ALA HB . 15517 1 158 . 1 1 14 14 ALA HB3 H 1 1.282 0.02 . 2 . . . . 14 ALA HB . 15517 1 159 . 1 1 14 14 ALA C C 13 178.800 0.10 . 1 . . . . 14 ALA C . 15517 1 160 . 1 1 14 14 ALA CA C 13 54.900 0.05 . 1 . . . . 14 ALA CA . 15517 1 161 . 1 1 14 14 ALA CB C 13 19.900 0.05 . 1 . . . . 14 ALA CB . 15517 1 162 . 1 1 14 14 ALA N N 15 122.100 0.05 . 1 . . . . 14 ALA N . 15517 1 163 . 1 1 15 15 ILE H H 1 8.714 0.02 . 1 . . . . 15 ILE H . 15517 1 164 . 1 1 15 15 ILE HA H 1 3.958 0.02 . 1 . . . . 15 ILE HA . 15517 1 165 . 1 1 15 15 ILE HB H 1 2.153 0.02 . 1 . . . . 15 ILE HB . 15517 1 166 . 1 1 15 15 ILE HD11 H 1 0.970 0.02 . 2 . . . . 15 ILE HD1 . 15517 1 167 . 1 1 15 15 ILE HD12 H 1 0.970 0.02 . 2 . . . . 15 ILE HD1 . 15517 1 168 . 1 1 15 15 ILE HD13 H 1 0.970 0.02 . 2 . . . . 15 ILE HD1 . 15517 1 169 . 1 1 15 15 ILE HG12 H 1 1.779 0.02 . 2 . . . . 15 ILE HG12 . 15517 1 170 . 1 1 15 15 ILE HG13 H 1 1.654 0.02 . 2 . . . . 15 ILE HG13 . 15517 1 171 . 1 1 15 15 ILE HG21 H 1 0.980 0.02 . 2 . . . . 15 ILE HG2 . 15517 1 172 . 1 1 15 15 ILE HG22 H 1 0.980 0.02 . 2 . . . . 15 ILE HG2 . 15517 1 173 . 1 1 15 15 ILE HG23 H 1 0.980 0.02 . 2 . . . . 15 ILE HG2 . 15517 1 174 . 1 1 15 15 ILE C C 13 180.400 0.10 . 1 . . . . 15 ILE C . 15517 1 175 . 1 1 15 15 ILE CA C 13 64.000 0.05 . 1 . . . . 15 ILE CA . 15517 1 176 . 1 1 15 15 ILE CB C 13 36.900 0.05 . 1 . . . . 15 ILE CB . 15517 1 177 . 1 1 15 15 ILE CD1 C 13 13.100 0.05 . 1 . . . . 15 ILE CD1 . 15517 1 178 . 1 1 15 15 ILE CG1 C 13 28.700 0.05 . 1 . . . . 15 ILE CG1 . 15517 1 179 . 1 1 15 15 ILE CG2 C 13 17.500 0.05 . 1 . . . . 15 ILE CG2 . 15517 1 180 . 1 1 15 15 ILE N N 15 114.700 0.05 . 1 . . . . 15 ILE N . 15517 1 181 . 1 1 16 16 GLY H H 1 7.943 0.02 . 1 . . . . 16 GLY H . 15517 1 182 . 1 1 16 16 GLY HA2 H 1 3.920 0.02 . 2 . . . . 16 GLY HA2 . 15517 1 183 . 1 1 16 16 GLY HA3 H 1 3.818 0.02 . 2 . . . . 16 GLY HA3 . 15517 1 184 . 1 1 16 16 GLY C C 13 174.700 0.10 . 1 . . . . 16 GLY C . 15517 1 185 . 1 1 16 16 GLY CA C 13 46.340 0.05 . 1 . . . . 16 GLY CA . 15517 1 186 . 1 1 16 16 GLY N N 15 106.900 0.05 . 1 . . . . 16 GLY N . 15517 1 187 . 1 1 17 17 ALA H H 1 7.262 0.02 . 1 . . . . 17 ALA H . 15517 1 188 . 1 1 17 17 ALA HA H 1 4.081 0.02 . 1 . . . . 17 ALA HA . 15517 1 189 . 1 1 17 17 ALA HB1 H 1 0.861 0.02 . 2 . . . . 17 ALA HB . 15517 1 190 . 1 1 17 17 ALA HB2 H 1 0.861 0.02 . 2 . . . . 17 ALA HB . 15517 1 191 . 1 1 17 17 ALA HB3 H 1 0.861 0.02 . 2 . . . . 17 ALA HB . 15517 1 192 . 1 1 17 17 ALA C C 13 178.100 0.10 . 1 . . . . 17 ALA C . 15517 1 193 . 1 1 17 17 ALA CA C 13 53.000 0.05 . 1 . . . . 17 ALA CA . 15517 1 194 . 1 1 17 17 ALA CB C 13 18.100 0.05 . 1 . . . . 17 ALA CB . 15517 1 195 . 1 1 17 17 ALA N N 15 121.200 0.05 . 1 . . . . 17 ALA N . 15517 1 196 . 1 1 18 18 PHE H H 1 7.362 0.02 . 1 . . . . 18 PHE H . 15517 1 197 . 1 1 18 18 PHE HA H 1 5.298 0.02 . 1 . . . . 18 PHE HA . 15517 1 198 . 1 1 18 18 PHE HB2 H 1 3.595 0.02 . 2 . . . . 18 PHE HB2 . 15517 1 199 . 1 1 18 18 PHE HB3 H 1 2.598 0.02 . 2 . . . . 18 PHE HB3 . 15517 1 200 . 1 1 18 18 PHE HD1 H 1 7.620 0.02 . 2 . . . . 18 PHE HD1 . 15517 1 201 . 1 1 18 18 PHE HD2 H 1 7.620 0.02 . 2 . . . . 18 PHE HD2 . 15517 1 202 . 1 1 18 18 PHE HE1 H 1 7.350 0.02 . 3 . . . . 18 PHE HE1 . 15517 1 203 . 1 1 18 18 PHE HE2 H 1 7.350 0.02 . 3 . . . . 18 PHE HE2 . 15517 1 204 . 1 1 18 18 PHE C C 13 176.400 0.10 . 1 . . . . 18 PHE C . 15517 1 205 . 1 1 18 18 PHE CA C 13 56.300 0.05 . 1 . . . . 18 PHE CA . 15517 1 206 . 1 1 18 18 PHE CB C 13 39.200 0.05 . 1 . . . . 18 PHE CB . 15517 1 207 . 1 1 18 18 PHE N N 15 115.500 0.05 . 1 . . . . 18 PHE N . 15517 1 208 . 1 1 19 19 THR H H 1 7.504 0.02 . 1 . . . . 19 THR H . 15517 1 209 . 1 1 19 19 THR HA H 1 3.950 0.02 . 1 . . . . 19 THR HA . 15517 1 210 . 1 1 19 19 THR HB H 1 4.220 0.02 . 1 . . . . 19 THR HB . 15517 1 211 . 1 1 19 19 THR HG21 H 1 1.335 0.02 . 2 . . . . 19 THR HG2 . 15517 1 212 . 1 1 19 19 THR HG22 H 1 1.335 0.02 . 2 . . . . 19 THR HG2 . 15517 1 213 . 1 1 19 19 THR HG23 H 1 1.335 0.02 . 2 . . . . 19 THR HG2 . 15517 1 214 . 1 1 19 19 THR C C 13 175.400 0.10 . 1 . . . . 19 THR C . 15517 1 215 . 1 1 19 19 THR CA C 13 65.120 0.05 . 1 . . . . 19 THR CA . 15517 1 216 . 1 1 19 19 THR CB C 13 68.800 0.05 . 1 . . . . 19 THR CB . 15517 1 217 . 1 1 19 19 THR CG2 C 13 21.900 0.05 . 1 . . . . 19 THR CG2 . 15517 1 218 . 1 1 19 19 THR N N 15 114.700 0.05 . 1 . . . . 19 THR N . 15517 1 219 . 1 1 20 20 ALA H H 1 8.226 0.02 . 1 . . . . 20 ALA H . 15517 1 220 . 1 1 20 20 ALA HA H 1 4.284 0.02 . 1 . . . . 20 ALA HA . 15517 1 221 . 1 1 20 20 ALA HB1 H 1 1.370 0.02 . 2 . . . . 20 ALA HB . 15517 1 222 . 1 1 20 20 ALA HB2 H 1 1.370 0.02 . 2 . . . . 20 ALA HB . 15517 1 223 . 1 1 20 20 ALA HB3 H 1 1.370 0.02 . 2 . . . . 20 ALA HB . 15517 1 224 . 1 1 20 20 ALA C C 13 178.200 0.10 . 1 . . . . 20 ALA C . 15517 1 225 . 1 1 20 20 ALA CA C 13 51.900 0.05 . 1 . . . . 20 ALA CA . 15517 1 226 . 1 1 20 20 ALA CB C 13 18.800 0.05 . 1 . . . . 20 ALA CB . 15517 1 227 . 1 1 20 20 ALA N N 15 123.000 0.05 . 1 . . . . 20 ALA N . 15517 1 228 . 1 1 21 21 ALA H H 1 8.665 0.02 . 1 . . . . 21 ALA H . 15517 1 229 . 1 1 21 21 ALA HA H 1 4.054 0.02 . 1 . . . . 21 ALA HA . 15517 1 230 . 1 1 21 21 ALA HB1 H 1 1.365 0.02 . 2 . . . . 21 ALA HB . 15517 1 231 . 1 1 21 21 ALA HB2 H 1 1.365 0.02 . 2 . . . . 21 ALA HB . 15517 1 232 . 1 1 21 21 ALA HB3 H 1 1.365 0.02 . 2 . . . . 21 ALA HB . 15517 1 233 . 1 1 21 21 ALA C C 13 177.900 0.10 . 1 . . . . 21 ALA C . 15517 1 234 . 1 1 21 21 ALA CA C 13 53.300 0.05 . 1 . . . . 21 ALA CA . 15517 1 235 . 1 1 21 21 ALA CB C 13 18.800 0.05 . 1 . . . . 21 ALA CB . 15517 1 236 . 1 1 21 21 ALA N N 15 125.500 0.05 . 1 . . . . 21 ALA N . 15517 1 237 . 1 1 22 22 ASP H H 1 8.704 0.02 . 1 . . . . 22 ASP H . 15517 1 238 . 1 1 22 22 ASP HA H 1 4.366 0.02 . 1 . . . . 22 ASP HA . 15517 1 239 . 1 1 22 22 ASP HB2 H 1 2.660 0.02 . 2 . . . . 22 ASP HB2 . 15517 1 240 . 1 1 22 22 ASP HB3 H 1 2.660 0.02 . 2 . . . . 22 ASP HB3 . 15517 1 241 . 1 1 22 22 ASP C C 13 175.500 0.10 . 1 . . . . 22 ASP C . 15517 1 242 . 1 1 22 22 ASP CA C 13 56.700 0.05 . 1 . . . . 22 ASP CA . 15517 1 243 . 1 1 22 22 ASP CB C 13 39.300 0.05 . 1 . . . . 22 ASP CB . 15517 1 244 . 1 1 22 22 ASP N N 15 116.900 0.05 . 1 . . . . 22 ASP N . 15517 1 245 . 1 1 23 23 SER H H 1 7.598 0.02 . 1 . . . . 23 SER H . 15517 1 246 . 1 1 23 23 SER HA H 1 4.389 0.02 . 1 . . . . 23 SER HA . 15517 1 247 . 1 1 23 23 SER HB2 H 1 4.250 0.02 . 2 . . . . 23 SER HB2 . 15517 1 248 . 1 1 23 23 SER HB3 H 1 3.673 0.02 . 2 . . . . 23 SER HB3 . 15517 1 249 . 1 1 23 23 SER C C 13 176.300 0.10 . 1 . . . . 23 SER C . 15517 1 250 . 1 1 23 23 SER CA C 13 58.900 0.05 . 1 . . . . 23 SER CA . 15517 1 251 . 1 1 23 23 SER CB C 13 65.600 0.05 . 1 . . . . 23 SER CB . 15517 1 252 . 1 1 23 23 SER N N 15 111.400 0.05 . 1 . . . . 23 SER N . 15517 1 253 . 1 1 24 24 PHE H H 1 9.603 0.02 . 1 . . . . 24 PHE H . 15517 1 254 . 1 1 24 24 PHE HA H 1 3.560 0.02 . 1 . . . . 24 PHE HA . 15517 1 255 . 1 1 24 24 PHE HB2 H 1 2.920 0.02 . 2 . . . . 24 PHE HB2 . 15517 1 256 . 1 1 24 24 PHE HB3 H 1 2.920 0.02 . 2 . . . . 24 PHE HB3 . 15517 1 257 . 1 1 24 24 PHE HD1 H 1 7.580 0.02 . 2 . . . . 24 PHE HD1 . 15517 1 258 . 1 1 24 24 PHE HD2 H 1 7.580 0.02 . 2 . . . . 24 PHE HD2 . 15517 1 259 . 1 1 24 24 PHE HE1 H 1 7.350 0.02 . 3 . . . . 24 PHE HE1 . 15517 1 260 . 1 1 24 24 PHE HE2 H 1 7.350 0.02 . 3 . . . . 24 PHE HE2 . 15517 1 261 . 1 1 24 24 PHE C C 13 173.700 0.10 . 1 . . . . 24 PHE C . 15517 1 262 . 1 1 24 24 PHE CA C 13 61.600 0.05 . 1 . . . . 24 PHE CA . 15517 1 263 . 1 1 24 24 PHE CB C 13 39.000 0.05 . 1 . . . . 24 PHE CB . 15517 1 264 . 1 1 24 24 PHE N N 15 124.100 0.05 . 1 . . . . 24 PHE N . 15517 1 265 . 1 1 25 25 ASP HA H 1 4.426 0.02 . 1 . . . . 25 ASP HA . 15517 1 266 . 1 1 25 25 ASP HB2 H 1 2.522 0.02 . 2 . . . . 25 ASP HB2 . 15517 1 267 . 1 1 25 25 ASP HB3 H 1 2.522 0.02 . 2 . . . . 25 ASP HB3 . 15517 1 268 . 1 1 25 25 ASP C C 13 175.500 0.10 . 1 . . . . 25 ASP C . 15517 1 269 . 1 1 25 25 ASP CA C 13 51.900 0.05 . 1 . . . . 25 ASP CA . 15517 1 270 . 1 1 25 25 ASP CB C 13 42.820 0.05 . 1 . . . . 25 ASP CB . 15517 1 271 . 1 1 26 26 HIS H H 1 8.590 0.02 . 1 . . . . 26 HIS H . 15517 1 272 . 1 1 26 26 HIS HA H 1 3.095 0.02 . 1 . . . . 26 HIS HA . 15517 1 273 . 1 1 26 26 HIS HB2 H 1 2.684 0.02 . 2 . . . . 26 HIS HB2 . 15517 1 274 . 1 1 26 26 HIS HB3 H 1 2.491 0.02 . 2 . . . . 26 HIS HB3 . 15517 1 275 . 1 1 26 26 HIS C C 13 174.500 0.10 . 1 . . . . 26 HIS C . 15517 1 276 . 1 1 26 26 HIS CA C 13 59.500 0.05 . 1 . . . . 26 HIS CA . 15517 1 277 . 1 1 26 26 HIS CB C 13 29.300 0.05 . 1 . . . . 26 HIS CB . 15517 1 278 . 1 1 26 26 HIS N N 15 122.600 0.05 . 1 . . . . 26 HIS N . 15517 1 279 . 1 1 27 27 LYS H H 1 6.876 0.02 . 1 . . . . 27 LYS H . 15517 1 280 . 1 1 27 27 LYS HA H 1 3.963 0.02 . 1 . . . . 27 LYS HA . 15517 1 281 . 1 1 27 27 LYS HB2 H 1 1.776 0.02 . 2 . . . . 27 LYS HB2 . 15517 1 282 . 1 1 27 27 LYS HB3 H 1 1.647 0.02 . 2 . . . . 27 LYS HB3 . 15517 1 283 . 1 1 27 27 LYS HD2 H 1 1.150 0.02 . 2 . . . . 27 LYS HD2 . 15517 1 284 . 1 1 27 27 LYS HD3 H 1 1.150 0.02 . 2 . . . . 27 LYS HD3 . 15517 1 285 . 1 1 27 27 LYS HE2 H 1 2.960 0.02 . 2 . . . . 27 LYS HE2 . 15517 1 286 . 1 1 27 27 LYS HE3 H 1 2.960 0.02 . 1 . . . . 27 LYS HE3 . 15517 1 287 . 1 1 27 27 LYS HG2 H 1 0.760 0.02 . 2 . . . . 27 LYS HG2 . 15517 1 288 . 1 1 27 27 LYS HG3 H 1 0.760 0.02 . 2 . . . . 27 LYS HG3 . 15517 1 289 . 1 1 27 27 LYS C C 13 178.900 0.10 . 1 . . . . 27 LYS C . 15517 1 290 . 1 1 27 27 LYS CA C 13 59.100 0.05 . 1 . . . . 27 LYS CA . 15517 1 291 . 1 1 27 27 LYS CB C 13 31.300 0.05 . 1 . . . . 27 LYS CB . 15517 1 292 . 1 1 27 27 LYS CD C 13 29.300 0.05 . 1 . . . . 27 LYS CD . 15517 1 293 . 1 1 27 27 LYS CE C 13 42.270 0.05 . 1 . . . . 27 LYS CE . 15517 1 294 . 1 1 27 27 LYS CG C 13 25.500 0.05 . 1 . . . . 27 LYS CG . 15517 1 295 . 1 1 27 27 LYS N N 15 120.900 0.05 . 1 . . . . 27 LYS N . 15517 1 296 . 1 1 28 28 LYS H H 1 7.001 0.02 . 1 . . . . 28 LYS H . 15517 1 297 . 1 1 28 28 LYS HA H 1 4.002 0.02 . 1 . . . . 28 LYS HA . 15517 1 298 . 1 1 28 28 LYS HB2 H 1 1.829 0.02 . 2 . . . . 28 LYS HB2 . 15517 1 299 . 1 1 28 28 LYS HB3 H 1 1.829 0.02 . 2 . . . . 28 LYS HB3 . 15517 1 300 . 1 1 28 28 LYS HD2 H 1 1.720 0.02 . 2 . . . . 28 LYS HD2 . 15517 1 301 . 1 1 28 28 LYS HD3 H 1 1.720 0.02 . 2 . . . . 28 LYS HD3 . 15517 1 302 . 1 1 28 28 LYS HE2 H 1 2.940 0.02 . 2 . . . . 28 LYS HE2 . 15517 1 303 . 1 1 28 28 LYS HE3 H 1 2.940 0.02 . 1 . . . . 28 LYS HE3 . 15517 1 304 . 1 1 28 28 LYS HG2 H 1 1.543 0.02 . 2 . . . . 28 LYS HG2 . 15517 1 305 . 1 1 28 28 LYS HG3 H 1 1.405 0.02 . 2 . . . . 28 LYS HG3 . 15517 1 306 . 1 1 28 28 LYS C C 13 178.600 0.10 . 1 . . . . 28 LYS C . 15517 1 307 . 1 1 28 28 LYS CA C 13 58.710 0.05 . 1 . . . . 28 LYS CA . 15517 1 308 . 1 1 28 28 LYS CB C 13 33.190 0.05 . 1 . . . . 28 LYS CB . 15517 1 309 . 1 1 28 28 LYS CD C 13 29.660 0.05 . 1 . . . . 28 LYS CD . 15517 1 310 . 1 1 28 28 LYS CE C 13 42.400 0.05 . 1 . . . . 28 LYS CE . 15517 1 311 . 1 1 28 28 LYS CG C 13 25.610 0.05 . 1 . . . . 28 LYS CG . 15517 1 312 . 1 1 28 28 LYS N N 15 118.600 0.05 . 1 . . . . 28 LYS N . 15517 1 313 . 1 1 29 29 PHE H H 1 8.270 0.02 . 1 . . . . 29 PHE H . 15517 1 314 . 1 1 29 29 PHE HA H 1 4.013 0.02 . 1 . . . . 29 PHE HA . 15517 1 315 . 1 1 29 29 PHE HB2 H 1 2.480 0.02 . 2 . . . . 29 PHE HB2 . 15517 1 316 . 1 1 29 29 PHE HB3 H 1 2.240 0.02 . 2 . . . . 29 PHE HB3 . 15517 1 317 . 1 1 29 29 PHE HD1 H 1 6.840 0.02 . 2 . . . . 29 PHE HD1 . 15517 1 318 . 1 1 29 29 PHE HD2 H 1 6.840 0.02 . 2 . . . . 29 PHE HD2 . 15517 1 319 . 1 1 29 29 PHE HE1 H 1 6.580 0.02 . 3 . . . . 29 PHE HE1 . 15517 1 320 . 1 1 29 29 PHE HE2 H 1 6.580 0.02 . 3 . . . . 29 PHE HE2 . 15517 1 321 . 1 1 29 29 PHE C C 13 176.300 0.10 . 1 . . . . 29 PHE C . 15517 1 322 . 1 1 29 29 PHE CA C 13 62.940 0.05 . 1 . . . . 29 PHE CA . 15517 1 323 . 1 1 29 29 PHE CB C 13 39.500 0.05 . 1 . . . . 29 PHE CB . 15517 1 324 . 1 1 29 29 PHE N N 15 119.100 0.05 . 1 . . . . 29 PHE N . 15517 1 325 . 1 1 30 30 PHE H H 1 8.694 0.02 . 1 . . . . 30 PHE H . 15517 1 326 . 1 1 30 30 PHE HA H 1 4.367 0.02 . 1 . . . . 30 PHE HA . 15517 1 327 . 1 1 30 30 PHE HB2 H 1 3.400 0.02 . 2 . . . . 30 PHE HB2 . 15517 1 328 . 1 1 30 30 PHE HB3 H 1 2.970 0.02 . 2 . . . . 30 PHE HB3 . 15517 1 329 . 1 1 30 30 PHE HD1 H 1 7.360 0.02 . 2 . . . . 30 PHE HD1 . 15517 1 330 . 1 1 30 30 PHE HD2 H 1 7.360 0.02 . 2 . . . . 30 PHE HD2 . 15517 1 331 . 1 1 30 30 PHE HE1 H 1 7.140 0.02 . 3 . . . . 30 PHE HE1 . 15517 1 332 . 1 1 30 30 PHE HE2 H 1 7.140 0.02 . 3 . . . . 30 PHE HE2 . 15517 1 333 . 1 1 30 30 PHE C C 13 178.700 0.10 . 1 . . . . 30 PHE C . 15517 1 334 . 1 1 30 30 PHE CA C 13 58.600 0.05 . 1 . . . . 30 PHE CA . 15517 1 335 . 1 1 30 30 PHE CB C 13 36.800 0.05 . 1 . . . . 30 PHE CB . 15517 1 336 . 1 1 30 30 PHE N N 15 116.280 0.05 . 1 . . . . 30 PHE N . 15517 1 337 . 1 1 31 31 GLN H H 1 7.765 0.02 . 1 . . . . 31 GLN H . 15517 1 338 . 1 1 31 31 GLN HA H 1 4.046 0.02 . 1 . . . . 31 GLN HA . 15517 1 339 . 1 1 31 31 GLN HB2 H 1 2.231 0.02 . 2 . . . . 31 GLN HB2 . 15517 1 340 . 1 1 31 31 GLN HB3 H 1 2.231 0.02 . 2 . . . . 31 GLN HB3 . 15517 1 341 . 1 1 31 31 GLN HE21 H 1 6.690 0.02 . 2 . . . . 31 GLN HE21 . 15517 1 342 . 1 1 31 31 GLN HE22 H 1 7.720 0.02 . 2 . . . . 31 GLN HE22 . 15517 1 343 . 1 1 31 31 GLN HG2 H 1 2.320 0.02 . 2 . . . . 31 GLN HG2 . 15517 1 344 . 1 1 31 31 GLN HG3 H 1 2.520 0.02 . 2 . . . . 31 GLN HG3 . 15517 1 345 . 1 1 31 31 GLN C C 13 179.300 0.10 . 1 . . . . 31 GLN C . 15517 1 346 . 1 1 31 31 GLN CA C 13 59.200 0.05 . 1 . . . . 31 GLN CA . 15517 1 347 . 1 1 31 31 GLN CB C 13 28.200 0.05 . 1 . . . . 31 GLN CB . 15517 1 348 . 1 1 31 31 GLN CG C 13 33.200 0.05 . 1 . . . . 31 GLN CG . 15517 1 349 . 1 1 31 31 GLN N N 15 118.000 0.05 . 1 . . . . 31 GLN N . 15517 1 350 . 1 1 31 31 GLN NE2 N 15 111.860 0.05 . 1 . . . . 31 GLN NE2 . 15517 1 351 . 1 1 32 32 MET H H 1 8.698 0.02 . 1 . . . . 32 MET H . 15517 1 352 . 1 1 32 32 MET HA H 1 3.931 0.02 . 1 . . . . 32 MET HA . 15517 1 353 . 1 1 32 32 MET HB2 H 1 1.990 0.02 . 2 . . . . 32 MET HB2 . 15517 1 354 . 1 1 32 32 MET HB3 H 1 1.880 0.02 . 2 . . . . 32 MET HB3 . 15517 1 355 . 1 1 32 32 MET HG2 H 1 2.400 0.02 . 2 . . . . 32 MET HG2 . 15517 1 356 . 1 1 32 32 MET HG3 H 1 2.910 0.02 . 2 . . . . 32 MET HG3 . 15517 1 357 . 1 1 32 32 MET C C 13 178.100 0.10 . 1 . . . . 32 MET C . 15517 1 358 . 1 1 32 32 MET CA C 13 59.500 0.05 . 1 . . . . 32 MET CA . 15517 1 359 . 1 1 32 32 MET CB C 13 28.230 0.05 . 1 . . . . 32 MET CB . 15517 1 360 . 1 1 32 32 MET CG C 13 32.800 0.05 . 1 . . . . 32 MET CG . 15517 1 361 . 1 1 32 32 MET N N 15 119.700 0.05 . 1 . . . . 32 MET N . 15517 1 362 . 1 1 33 33 VAL H H 1 8.282 0.02 . 1 . . . . 33 VAL H . 15517 1 363 . 1 1 33 33 VAL HA H 1 3.766 0.02 . 1 . . . . 33 VAL HA . 15517 1 364 . 1 1 33 33 VAL HB H 1 1.384 0.02 . 1 . . . . 33 VAL HB . 15517 1 365 . 1 1 33 33 VAL HG11 H 1 0.910 0.02 . 2 . . . . 33 VAL HG1 . 15517 1 366 . 1 1 33 33 VAL HG12 H 1 0.910 0.02 . 2 . . . . 33 VAL HG1 . 15517 1 367 . 1 1 33 33 VAL HG13 H 1 0.910 0.02 . 2 . . . . 33 VAL HG1 . 15517 1 368 . 1 1 33 33 VAL HG21 H 1 0.630 0.02 . 2 . . . . 33 VAL HG2 . 15517 1 369 . 1 1 33 33 VAL HG22 H 1 0.630 0.02 . 2 . . . . 33 VAL HG2 . 15517 1 370 . 1 1 33 33 VAL HG23 H 1 0.630 0.02 . 2 . . . . 33 VAL HG2 . 15517 1 371 . 1 1 33 33 VAL C C 13 174.600 0.10 . 1 . . . . 33 VAL C . 15517 1 372 . 1 1 33 33 VAL CA C 13 62.420 0.05 . 1 . . . . 33 VAL CA . 15517 1 373 . 1 1 33 33 VAL CB C 13 31.800 0.05 . 1 . . . . 33 VAL CB . 15517 1 374 . 1 1 33 33 VAL CG1 C 13 23.700 0.05 . 1 . . . . 33 VAL CG1 . 15517 1 375 . 1 1 33 33 VAL CG2 C 13 21.200 0.05 . 1 . . . . 33 VAL CG2 . 15517 1 376 . 1 1 33 33 VAL N N 15 114.300 0.05 . 1 . . . . 33 VAL N . 15517 1 377 . 1 1 34 34 GLY H H 1 7.172 0.02 . 1 . . . . 34 GLY H . 15517 1 378 . 1 1 34 34 GLY HA2 H 1 4.330 0.02 . 2 . . . . 34 GLY HA2 . 15517 1 379 . 1 1 34 34 GLY HA3 H 1 3.916 0.02 . 2 . . . . 34 GLY HA3 . 15517 1 380 . 1 1 34 34 GLY C C 13 176.600 0.10 . 1 . . . . 34 GLY C . 15517 1 381 . 1 1 34 34 GLY CA C 13 45.670 0.05 . 1 . . . . 34 GLY CA . 15517 1 382 . 1 1 34 34 GLY N N 15 105.000 0.05 . 1 . . . . 34 GLY N . 15517 1 383 . 1 1 35 35 LEU H H 1 7.402 0.02 . 1 . . . . 35 LEU H . 15517 1 384 . 1 1 35 35 LEU HA H 1 4.004 0.02 . 1 . . . . 35 LEU HA . 15517 1 385 . 1 1 35 35 LEU HB2 H 1 1.540 0.02 . 2 . . . . 35 LEU HB2 . 15517 1 386 . 1 1 35 35 LEU HB3 H 1 1.540 0.02 . 2 . . . . 35 LEU HB3 . 15517 1 387 . 1 1 35 35 LEU HD11 H 1 1.080 0.02 . 2 . . . . 35 LEU HD1 . 15517 1 388 . 1 1 35 35 LEU HD12 H 1 1.080 0.02 . 2 . . . . 35 LEU HD1 . 15517 1 389 . 1 1 35 35 LEU HD13 H 1 1.080 0.02 . 2 . . . . 35 LEU HD1 . 15517 1 390 . 1 1 35 35 LEU HD21 H 1 0.970 0.02 . 2 . . . . 35 LEU HD2 . 15517 1 391 . 1 1 35 35 LEU HD22 H 1 0.970 0.02 . 2 . . . . 35 LEU HD2 . 15517 1 392 . 1 1 35 35 LEU HD23 H 1 0.970 0.02 . 2 . . . . 35 LEU HD2 . 15517 1 393 . 1 1 35 35 LEU HG H 1 1.750 0.02 . 1 . . . . 35 LEU HG . 15517 1 394 . 1 1 35 35 LEU C C 13 177.300 0.10 . 1 . . . . 35 LEU C . 15517 1 395 . 1 1 35 35 LEU CA C 13 56.900 0.05 . 1 . . . . 35 LEU CA . 15517 1 396 . 1 1 35 35 LEU CB C 13 43.200 0.05 . 1 . . . . 35 LEU CB . 15517 1 397 . 1 1 35 35 LEU CD1 C 13 25.700 0.05 . 1 . . . . 35 LEU CD1 . 15517 1 398 . 1 1 35 35 LEU CD2 C 13 26.200 0.05 . 1 . . . . 35 LEU CD2 . 15517 1 399 . 1 1 35 35 LEU CG C 13 28.100 0.05 . 1 . . . . 35 LEU CG . 15517 1 400 . 1 1 35 35 LEU N N 15 119.600 0.05 . 1 . . . . 35 LEU N . 15517 1 401 . 1 1 36 36 LYS H H 1 7.997 0.02 . 1 . . . . 36 LYS H . 15517 1 402 . 1 1 36 36 LYS HA H 1 3.930 0.02 . 1 . . . . 36 LYS HA . 15517 1 403 . 1 1 36 36 LYS HB2 H 1 1.921 0.02 . 2 . . . . 36 LYS HB2 . 15517 1 404 . 1 1 36 36 LYS HB3 H 1 1.744 0.02 . 2 . . . . 36 LYS HB3 . 15517 1 405 . 1 1 36 36 LYS HD2 H 1 1.620 0.02 . 2 . . . . 36 LYS HD2 . 15517 1 406 . 1 1 36 36 LYS HD3 H 1 1.740 0.02 . 2 . . . . 36 LYS HD3 . 15517 1 407 . 1 1 36 36 LYS HE2 H 1 2.950 0.02 . 2 . . . . 36 LYS HE2 . 15517 1 408 . 1 1 36 36 LYS HE3 H 1 3.050 0.02 . 1 . . . . 36 LYS HE3 . 15517 1 409 . 1 1 36 36 LYS HG2 H 1 1.376 0.02 . 2 . . . . 36 LYS HG2 . 15517 1 410 . 1 1 36 36 LYS HG3 H 1 1.376 0.02 . 2 . . . . 36 LYS HG3 . 15517 1 411 . 1 1 36 36 LYS C C 13 176.700 0.10 . 1 . . . . 36 LYS C . 15517 1 412 . 1 1 36 36 LYS CA C 13 57.330 0.05 . 1 . . . . 36 LYS CA . 15517 1 413 . 1 1 36 36 LYS CB C 13 30.600 0.05 . 1 . . . . 36 LYS CB . 15517 1 414 . 1 1 36 36 LYS CD C 13 28.100 0.05 . 1 . . . . 36 LYS CD . 15517 1 415 . 1 1 36 36 LYS CE C 13 41.810 0.05 . 1 . . . . 36 LYS CE . 15517 1 416 . 1 1 36 36 LYS CG C 13 25.000 0.05 . 1 . . . . 36 LYS CG . 15517 1 417 . 1 1 36 36 LYS N N 15 115.350 0.05 . 1 . . . . 36 LYS N . 15517 1 418 . 1 1 37 37 LYS H H 1 7.033 0.02 . 1 . . . . 37 LYS H . 15517 1 419 . 1 1 37 37 LYS HA H 1 4.383 0.02 . 1 . . . . 37 LYS HA . 15517 1 420 . 1 1 37 37 LYS HB2 H 1 2.010 0.02 . 2 . . . . 37 LYS HB2 . 15517 1 421 . 1 1 37 37 LYS HB3 H 1 1.740 0.02 . 2 . . . . 37 LYS HB3 . 15517 1 422 . 1 1 37 37 LYS HD2 H 1 1.680 0.02 . 2 . . . . 37 LYS HD2 . 15517 1 423 . 1 1 37 37 LYS HD3 H 1 1.680 0.02 . 2 . . . . 37 LYS HD3 . 15517 1 424 . 1 1 37 37 LYS HE2 H 1 2.980 0.02 . 2 . . . . 37 LYS HE2 . 15517 1 425 . 1 1 37 37 LYS HE3 H 1 2.980 0.02 . 1 . . . . 37 LYS HE3 . 15517 1 426 . 1 1 37 37 LYS HG2 H 1 1.380 0.02 . 2 . . . . 37 LYS HG2 . 15517 1 427 . 1 1 37 37 LYS HG3 H 1 1.380 0.02 . 2 . . . . 37 LYS HG3 . 15517 1 428 . 1 1 37 37 LYS C C 13 176.600 0.10 . 1 . . . . 37 LYS C . 15517 1 429 . 1 1 37 37 LYS CA C 13 55.600 0.05 . 1 . . . . 37 LYS CA . 15517 1 430 . 1 1 37 37 LYS CB C 13 32.600 0.05 . 1 . . . . 37 LYS CB . 15517 1 431 . 1 1 37 37 LYS CD C 13 29.470 0.05 . 1 . . . . 37 LYS CD . 15517 1 432 . 1 1 37 37 LYS CE C 13 42.520 0.05 . 1 . . . . 37 LYS CE . 15517 1 433 . 1 1 37 37 LYS CG C 13 25.160 0.05 . 1 . . . . 37 LYS CG . 15517 1 434 . 1 1 37 37 LYS N N 15 114.600 0.05 . 1 . . . . 37 LYS N . 15517 1 435 . 1 1 38 38 LYS H H 1 6.908 0.02 . 1 . . . . 38 LYS H . 15517 1 436 . 1 1 38 38 LYS HA H 1 4.612 0.02 . 1 . . . . 38 LYS HA . 15517 1 437 . 1 1 38 38 LYS HB2 H 1 2.039 0.02 . 2 . . . . 38 LYS HB2 . 15517 1 438 . 1 1 38 38 LYS HB3 H 1 2.039 0.02 . 2 . . . . 38 LYS HB3 . 15517 1 439 . 1 1 38 38 LYS HD2 H 1 1.772 0.02 . 2 . . . . 38 LYS HD2 . 15517 1 440 . 1 1 38 38 LYS HD3 H 1 1.772 0.02 . 2 . . . . 38 LYS HD3 . 15517 1 441 . 1 1 38 38 LYS HE2 H 1 2.870 0.02 . 2 . . . . 38 LYS HE2 . 15517 1 442 . 1 1 38 38 LYS HE3 H 1 3.120 0.02 . 1 . . . . 38 LYS HE3 . 15517 1 443 . 1 1 38 38 LYS HG2 H 1 1.300 0.02 . 2 . . . . 38 LYS HG2 . 15517 1 444 . 1 1 38 38 LYS HG3 H 1 1.300 0.02 . 2 . . . . 38 LYS HG3 . 15517 1 445 . 1 1 38 38 LYS C C 13 176.300 0.10 . 1 . . . . 38 LYS C . 15517 1 446 . 1 1 38 38 LYS CA C 13 53.100 0.05 . 1 . . . . 38 LYS CA . 15517 1 447 . 1 1 38 38 LYS CB C 13 32.730 0.05 . 1 . . . . 38 LYS CB . 15517 1 448 . 1 1 38 38 LYS CD C 13 27.340 0.05 . 1 . . . . 38 LYS CD . 15517 1 449 . 1 1 38 38 LYS CE C 13 42.500 0.05 . 1 . . . . 38 LYS CE . 15517 1 450 . 1 1 38 38 LYS CG C 13 24.500 0.05 . 1 . . . . 38 LYS CG . 15517 1 451 . 1 1 38 38 LYS N N 15 117.300 0.05 . 1 . . . . 38 LYS N . 15517 1 452 . 1 1 39 39 SER H H 1 9.320 0.02 . 1 . . . . 39 SER H . 15517 1 453 . 1 1 39 39 SER HA H 1 4.370 0.02 . 1 . . . . 39 SER HA . 15517 1 454 . 1 1 39 39 SER HB2 H 1 4.090 0.02 . 2 . . . . 39 SER HB2 . 15517 1 455 . 1 1 39 39 SER HB3 H 1 4.320 0.02 . 2 . . . . 39 SER HB3 . 15517 1 456 . 1 1 39 39 SER C C 13 174.300 0.10 . 1 . . . . 39 SER C . 15517 1 457 . 1 1 39 39 SER CA C 13 57.300 0.05 . 1 . . . . 39 SER CA . 15517 1 458 . 1 1 39 39 SER CB C 13 64.900 0.05 . 1 . . . . 39 SER CB . 15517 1 459 . 1 1 39 39 SER N N 15 118.000 0.05 . 1 . . . . 39 SER N . 15517 1 460 . 1 1 40 40 ALA H H 1 8.832 0.02 . 1 . . . . 40 ALA H . 15517 1 461 . 1 1 40 40 ALA HA H 1 4.044 0.02 . 1 . . . . 40 ALA HA . 15517 1 462 . 1 1 40 40 ALA HB1 H 1 1.443 0.02 . 2 . . . . 40 ALA HB . 15517 1 463 . 1 1 40 40 ALA HB2 H 1 1.443 0.02 . 2 . . . . 40 ALA HB . 15517 1 464 . 1 1 40 40 ALA HB3 H 1 1.443 0.02 . 2 . . . . 40 ALA HB . 15517 1 465 . 1 1 40 40 ALA C C 13 180.700 0.10 . 1 . . . . 40 ALA C . 15517 1 466 . 1 1 40 40 ALA CA C 13 55.530 0.05 . 1 . . . . 40 ALA CA . 15517 1 467 . 1 1 40 40 ALA CB C 13 18.100 0.05 . 1 . . . . 40 ALA CB . 15517 1 468 . 1 1 40 40 ALA N N 15 123.600 0.05 . 1 . . . . 40 ALA N . 15517 1 469 . 1 1 41 41 ASP H H 1 8.301 0.02 . 1 . . . . 41 ASP H . 15517 1 470 . 1 1 41 41 ASP HA H 1 4.340 0.02 . 1 . . . . 41 ASP HA . 15517 1 471 . 1 1 41 41 ASP HB2 H 1 2.563 0.02 . 2 . . . . 41 ASP HB2 . 15517 1 472 . 1 1 41 41 ASP HB3 H 1 2.563 0.02 . 2 . . . . 41 ASP HB3 . 15517 1 473 . 1 1 41 41 ASP C C 13 175.000 0.10 . 1 . . . . 41 ASP C . 15517 1 474 . 1 1 41 41 ASP CA C 13 57.400 0.05 . 1 . . . . 41 ASP CA . 15517 1 475 . 1 1 41 41 ASP CB C 13 40.600 0.05 . 1 . . . . 41 ASP CB . 15517 1 476 . 1 1 41 41 ASP N N 15 116.300 0.05 . 1 . . . . 41 ASP N . 15517 1 477 . 1 1 42 42 ASP H H 1 7.774 0.02 . 1 . . . . 42 ASP H . 15517 1 478 . 1 1 42 42 ASP HA H 1 4.560 0.02 . 1 . . . . 42 ASP HA . 15517 1 479 . 1 1 42 42 ASP HB2 H 1 2.960 0.02 . 2 . . . . 42 ASP HB2 . 15517 1 480 . 1 1 42 42 ASP HB3 H 1 2.960 0.02 . 2 . . . . 42 ASP HB3 . 15517 1 481 . 1 1 42 42 ASP C C 13 178.600 0.10 . 1 . . . . 42 ASP C . 15517 1 482 . 1 1 42 42 ASP CA C 13 57.420 0.05 . 1 . . . . 42 ASP CA . 15517 1 483 . 1 1 42 42 ASP CB C 13 40.710 0.05 . 1 . . . . 42 ASP CB . 15517 1 484 . 1 1 42 42 ASP N N 15 122.200 0.05 . 1 . . . . 42 ASP N . 15517 1 485 . 1 1 43 43 VAL H H 1 8.350 0.02 . 1 . . . . 43 VAL H . 15517 1 486 . 1 1 43 43 VAL HA H 1 3.450 0.02 . 1 . . . . 43 VAL HA . 15517 1 487 . 1 1 43 43 VAL HB H 1 2.245 0.02 . 1 . . . . 43 VAL HB . 15517 1 488 . 1 1 43 43 VAL HG11 H 1 0.970 0.02 . 2 . . . . 43 VAL HG1 . 15517 1 489 . 1 1 43 43 VAL HG12 H 1 0.970 0.02 . 2 . . . . 43 VAL HG1 . 15517 1 490 . 1 1 43 43 VAL HG13 H 1 0.970 0.02 . 2 . . . . 43 VAL HG1 . 15517 1 491 . 1 1 43 43 VAL HG21 H 1 0.976 0.02 . 2 . . . . 43 VAL HG2 . 15517 1 492 . 1 1 43 43 VAL HG22 H 1 0.976 0.02 . 2 . . . . 43 VAL HG2 . 15517 1 493 . 1 1 43 43 VAL HG23 H 1 0.976 0.02 . 2 . . . . 43 VAL HG2 . 15517 1 494 . 1 1 43 43 VAL C C 13 178.600 0.10 . 1 . . . . 43 VAL C . 15517 1 495 . 1 1 43 43 VAL CA C 13 67.900 0.05 . 1 . . . . 43 VAL CA . 15517 1 496 . 1 1 43 43 VAL CB C 13 31.300 0.05 . 1 . . . . 43 VAL CB . 15517 1 497 . 1 1 43 43 VAL CG1 C 13 22.300 0.05 . 1 . . . . 43 VAL CG1 . 15517 1 498 . 1 1 43 43 VAL CG2 C 13 23.900 0.05 . 1 . . . . 43 VAL CG2 . 15517 1 499 . 1 1 43 43 VAL N N 15 122.100 0.05 . 1 . . . . 43 VAL N . 15517 1 500 . 1 1 44 44 LYS H H 1 7.640 0.02 . 1 . . . . 44 LYS H . 15517 1 501 . 1 1 44 44 LYS HA H 1 3.870 0.02 . 1 . . . . 44 LYS HA . 15517 1 502 . 1 1 44 44 LYS HB2 H 1 1.990 0.02 . 2 . . . . 44 LYS HB2 . 15517 1 503 . 1 1 44 44 LYS HB3 H 1 1.810 0.02 . 2 . . . . 44 LYS HB3 . 15517 1 504 . 1 1 44 44 LYS HD2 H 1 1.680 0.02 . 2 . . . . 44 LYS HD2 . 15517 1 505 . 1 1 44 44 LYS HD3 H 1 1.680 0.02 . 2 . . . . 44 LYS HD3 . 15517 1 506 . 1 1 44 44 LYS HE2 H 1 2.840 0.02 . 2 . . . . 44 LYS HE2 . 15517 1 507 . 1 1 44 44 LYS HE3 H 1 2.840 0.02 . 1 . . . . 44 LYS HE3 . 15517 1 508 . 1 1 44 44 LYS HG2 H 1 1.150 0.02 . 2 . . . . 44 LYS HG2 . 15517 1 509 . 1 1 44 44 LYS HG3 H 1 1.150 0.02 . 2 . . . . 44 LYS HG3 . 15517 1 510 . 1 1 44 44 LYS C C 13 178.400 0.10 . 1 . . . . 44 LYS C . 15517 1 511 . 1 1 44 44 LYS CA C 13 60.100 0.05 . 1 . . . . 44 LYS CA . 15517 1 512 . 1 1 44 44 LYS CB C 13 31.900 0.05 . 1 . . . . 44 LYS CB . 15517 1 513 . 1 1 44 44 LYS CD C 13 29.900 0.05 . 1 . . . . 44 LYS CD . 15517 1 514 . 1 1 44 44 LYS CE C 13 42.570 0.05 . 1 . . . . 44 LYS CE . 15517 1 515 . 1 1 44 44 LYS CG C 13 26.200 0.05 . 1 . . . . 44 LYS CG . 15517 1 516 . 1 1 44 44 LYS N N 15 118.100 0.05 . 1 . . . . 44 LYS N . 15517 1 517 . 1 1 45 45 LYS H H 1 7.566 0.02 . 1 . . . . 45 LYS H . 15517 1 518 . 1 1 45 45 LYS HA H 1 4.030 0.02 . 1 . . . . 45 LYS HA . 15517 1 519 . 1 1 45 45 LYS HB2 H 1 2.203 0.02 . 2 . . . . 45 LYS HB2 . 15517 1 520 . 1 1 45 45 LYS HB3 H 1 1.860 0.02 . 2 . . . . 45 LYS HB3 . 15517 1 521 . 1 1 45 45 LYS HD2 H 1 1.730 0.02 . 2 . . . . 45 LYS HD2 . 15517 1 522 . 1 1 45 45 LYS HD3 H 1 1.730 0.02 . 2 . . . . 45 LYS HD3 . 15517 1 523 . 1 1 45 45 LYS HE2 H 1 2.910 0.02 . 2 . . . . 45 LYS HE2 . 15517 1 524 . 1 1 45 45 LYS HE3 H 1 2.960 0.02 . 1 . . . . 45 LYS HE3 . 15517 1 525 . 1 1 45 45 LYS HG2 H 1 1.420 0.02 . 2 . . . . 45 LYS HG2 . 15517 1 526 . 1 1 45 45 LYS HG3 H 1 1.420 0.02 . 2 . . . . 45 LYS HG3 . 15517 1 527 . 1 1 45 45 LYS C C 13 179.800 0.10 . 1 . . . . 45 LYS C . 15517 1 528 . 1 1 45 45 LYS CA C 13 60.600 0.05 . 1 . . . . 45 LYS CA . 15517 1 529 . 1 1 45 45 LYS CB C 13 33.000 0.05 . 1 . . . . 45 LYS CB . 15517 1 530 . 1 1 45 45 LYS CD C 13 30.180 0.05 . 1 . . . . 45 LYS CD . 15517 1 531 . 1 1 45 45 LYS CE C 13 42.900 0.05 . 1 . . . . 45 LYS CE . 15517 1 532 . 1 1 45 45 LYS CG C 13 26.600 0.05 . 1 . . . . 45 LYS CG . 15517 1 533 . 1 1 45 45 LYS N N 15 118.800 0.05 . 1 . . . . 45 LYS N . 15517 1 534 . 1 1 46 46 VAL H H 1 7.864 0.02 . 1 . . . . 46 VAL H . 15517 1 535 . 1 1 46 46 VAL HA H 1 3.367 0.02 . 1 . . . . 46 VAL HA . 15517 1 536 . 1 1 46 46 VAL HB H 1 2.590 0.02 . 1 . . . . 46 VAL HB . 15517 1 537 . 1 1 46 46 VAL HG11 H 1 0.960 0.02 . 2 . . . . 46 VAL HG1 . 15517 1 538 . 1 1 46 46 VAL HG12 H 1 0.960 0.02 . 2 . . . . 46 VAL HG1 . 15517 1 539 . 1 1 46 46 VAL HG13 H 1 0.960 0.02 . 2 . . . . 46 VAL HG1 . 15517 1 540 . 1 1 46 46 VAL HG21 H 1 1.160 0.02 . 2 . . . . 46 VAL HG2 . 15517 1 541 . 1 1 46 46 VAL HG22 H 1 1.160 0.02 . 2 . . . . 46 VAL HG2 . 15517 1 542 . 1 1 46 46 VAL HG23 H 1 1.160 0.02 . 2 . . . . 46 VAL HG2 . 15517 1 543 . 1 1 46 46 VAL C C 13 177.100 0.10 . 1 . . . . 46 VAL C . 15517 1 544 . 1 1 46 46 VAL CA C 13 66.800 0.05 . 1 . . . . 46 VAL CA . 15517 1 545 . 1 1 46 46 VAL CB C 13 31.200 0.05 . 1 . . . . 46 VAL CB . 15517 1 546 . 1 1 46 46 VAL CG1 C 13 21.000 0.05 . 1 . . . . 46 VAL CG1 . 15517 1 547 . 1 1 46 46 VAL CG2 C 13 23.100 0.05 . 1 . . . . 46 VAL CG2 . 15517 1 548 . 1 1 46 46 VAL N N 15 120.900 0.05 . 1 . . . . 46 VAL N . 15517 1 549 . 1 1 47 47 PHE H H 1 8.004 0.02 . 1 . . . . 47 PHE H . 15517 1 550 . 1 1 47 47 PHE HA H 1 2.925 0.02 . 1 . . . . 47 PHE HA . 15517 1 551 . 1 1 47 47 PHE HB2 H 1 3.130 0.02 . 2 . . . . 47 PHE HB2 . 15517 1 552 . 1 1 47 47 PHE HB3 H 1 2.690 0.02 . 2 . . . . 47 PHE HB3 . 15517 1 553 . 1 1 47 47 PHE HD1 H 1 6.195 0.02 . 2 . . . . 47 PHE HD1 . 15517 1 554 . 1 1 47 47 PHE HD2 H 1 6.195 0.02 . 2 . . . . 47 PHE HD2 . 15517 1 555 . 1 1 47 47 PHE HE1 H 1 6.850 0.02 . 3 . . . . 47 PHE HE1 . 15517 1 556 . 1 1 47 47 PHE HE2 H 1 6.850 0.02 . 3 . . . . 47 PHE HE2 . 15517 1 557 . 1 1 47 47 PHE C C 13 175.800 0.10 . 1 . . . . 47 PHE C . 15517 1 558 . 1 1 47 47 PHE CA C 13 62.000 0.05 . 1 . . . . 47 PHE CA . 15517 1 559 . 1 1 47 47 PHE CB C 13 38.000 0.05 . 1 . . . . 47 PHE CB . 15517 1 560 . 1 1 47 47 PHE N N 15 119.600 0.05 . 1 . . . . 47 PHE N . 15517 1 561 . 1 1 48 48 HIS H H 1 7.862 0.02 . 1 . . . . 48 HIS H . 15517 1 562 . 1 1 48 48 HIS HA H 1 4.137 0.02 . 1 . . . . 48 HIS HA . 15517 1 563 . 1 1 48 48 HIS HB2 H 1 3.219 0.02 . 2 . . . . 48 HIS HB2 . 15517 1 564 . 1 1 48 48 HIS HB3 H 1 3.219 0.02 . 2 . . . . 48 HIS HB3 . 15517 1 565 . 1 1 48 48 HIS C C 13 176.500 0.10 . 1 . . . . 48 HIS C . 15517 1 566 . 1 1 48 48 HIS CA C 13 58.800 0.05 . 1 . . . . 48 HIS CA . 15517 1 567 . 1 1 48 48 HIS CB C 13 28.700 0.05 . 1 . . . . 48 HIS CB . 15517 1 568 . 1 1 48 48 HIS N N 15 113.450 0.05 . 1 . . . . 48 HIS N . 15517 1 569 . 1 1 49 49 ILE H H 1 7.233 0.02 . 1 . . . . 49 ILE H . 15517 1 570 . 1 1 49 49 ILE HA H 1 3.508 0.02 . 1 . . . . 49 ILE HA . 15517 1 571 . 1 1 49 49 ILE HB H 1 1.753 0.02 . 1 . . . . 49 ILE HB . 15517 1 572 . 1 1 49 49 ILE HD11 H 1 0.720 0.02 . 2 . . . . 49 ILE HD1 . 15517 1 573 . 1 1 49 49 ILE HD12 H 1 0.720 0.02 . 2 . . . . 49 ILE HD1 . 15517 1 574 . 1 1 49 49 ILE HD13 H 1 0.720 0.02 . 2 . . . . 49 ILE HD1 . 15517 1 575 . 1 1 49 49 ILE HG12 H 1 1.730 0.02 . 2 . . . . 49 ILE HG12 . 15517 1 576 . 1 1 49 49 ILE HG13 H 1 0.940 0.02 . 2 . . . . 49 ILE HG13 . 15517 1 577 . 1 1 49 49 ILE HG21 H 1 0.710 0.02 . 2 . . . . 49 ILE HG2 . 15517 1 578 . 1 1 49 49 ILE HG22 H 1 0.710 0.02 . 2 . . . . 49 ILE HG2 . 15517 1 579 . 1 1 49 49 ILE HG23 H 1 0.710 0.02 . 2 . . . . 49 ILE HG2 . 15517 1 580 . 1 1 49 49 ILE C C 13 177.500 0.10 . 1 . . . . 49 ILE C . 15517 1 581 . 1 1 49 49 ILE CA C 13 64.300 0.05 . 1 . . . . 49 ILE CA . 15517 1 582 . 1 1 49 49 ILE CB C 13 38.000 0.05 . 1 . . . . 49 ILE CB . 15517 1 583 . 1 1 49 49 ILE CD1 C 13 13.700 0.05 . 1 . . . . 49 ILE CD1 . 15517 1 584 . 1 1 49 49 ILE CG1 C 13 29.200 0.05 . 1 . . . . 49 ILE CG1 . 15517 1 585 . 1 1 49 49 ILE CG2 C 13 17.400 0.05 . 1 . . . . 49 ILE CG2 . 15517 1 586 . 1 1 49 49 ILE N N 15 118.200 0.05 . 1 . . . . 49 ILE N . 15517 1 587 . 1 1 50 50 LEU H H 1 7.049 0.02 . 1 . . . . 50 LEU H . 15517 1 588 . 1 1 50 50 LEU HA H 1 3.692 0.02 . 1 . . . . 50 LEU HA . 15517 1 589 . 1 1 50 50 LEU HB2 H 1 1.340 0.02 . 2 . . . . 50 LEU HB2 . 15517 1 590 . 1 1 50 50 LEU HB3 H 1 0.980 0.02 . 2 . . . . 50 LEU HB3 . 15517 1 591 . 1 1 50 50 LEU HD11 H 1 0.590 0.02 . 2 . . . . 50 LEU HD1 . 15517 1 592 . 1 1 50 50 LEU HD12 H 1 0.590 0.02 . 2 . . . . 50 LEU HD1 . 15517 1 593 . 1 1 50 50 LEU HD13 H 1 0.590 0.02 . 2 . . . . 50 LEU HD1 . 15517 1 594 . 1 1 50 50 LEU HD21 H 1 0.510 0.02 . 2 . . . . 50 LEU HD2 . 15517 1 595 . 1 1 50 50 LEU HD22 H 1 0.510 0.02 . 2 . . . . 50 LEU HD2 . 15517 1 596 . 1 1 50 50 LEU HD23 H 1 0.510 0.02 . 2 . . . . 50 LEU HD2 . 15517 1 597 . 1 1 50 50 LEU HG H 1 1.570 0.02 . 1 . . . . 50 LEU HG . 15517 1 598 . 1 1 50 50 LEU C C 13 176.700 0.10 . 1 . . . . 50 LEU C . 15517 1 599 . 1 1 50 50 LEU CA C 13 55.700 0.05 . 1 . . . . 50 LEU CA . 15517 1 600 . 1 1 50 50 LEU CB C 13 41.300 0.05 . 1 . . . . 50 LEU CB . 15517 1 601 . 1 1 50 50 LEU CD1 C 13 25.700 0.05 . 1 . . . . 50 LEU CD1 . 15517 1 602 . 1 1 50 50 LEU CD2 C 13 21.900 0.05 . 1 . . . . 50 LEU CD2 . 15517 1 603 . 1 1 50 50 LEU CG C 13 25.700 0.05 . 1 . . . . 50 LEU CG . 15517 1 604 . 1 1 50 50 LEU N N 15 118.700 0.05 . 1 . . . . 50 LEU N . 15517 1 605 . 1 1 51 51 ASP H H 1 7.043 0.02 . 1 . . . . 51 ASP H . 15517 1 606 . 1 1 51 51 ASP HA H 1 4.130 0.02 . 1 . . . . 51 ASP HA . 15517 1 607 . 1 1 51 51 ASP HB2 H 1 2.421 0.02 . 2 . . . . 51 ASP HB2 . 15517 1 608 . 1 1 51 51 ASP HB3 H 1 1.420 0.02 . 2 . . . . 51 ASP HB3 . 15517 1 609 . 1 1 51 51 ASP C C 13 176.700 0.10 . 1 . . . . 51 ASP C . 15517 1 610 . 1 1 51 51 ASP CA C 13 52.000 0.05 . 1 . . . . 51 ASP CA . 15517 1 611 . 1 1 51 51 ASP CB C 13 38.600 0.05 . 1 . . . . 51 ASP CB . 15517 1 612 . 1 1 51 51 ASP N N 15 117.900 0.05 . 1 . . . . 51 ASP N . 15517 1 613 . 1 1 52 52 LYS H H 1 7.390 0.02 . 1 . . . . 52 LYS H . 15517 1 614 . 1 1 52 52 LYS HA H 1 3.758 0.02 . 1 . . . . 52 LYS HA . 15517 1 615 . 1 1 52 52 LYS HB2 H 1 1.790 0.02 . 2 . . . . 52 LYS HB2 . 15517 1 616 . 1 1 52 52 LYS HB3 H 1 1.790 0.02 . 2 . . . . 52 LYS HB3 . 15517 1 617 . 1 1 52 52 LYS HD2 H 1 1.680 0.02 . 2 . . . . 52 LYS HD2 . 15517 1 618 . 1 1 52 52 LYS HD3 H 1 1.680 0.02 . 2 . . . . 52 LYS HD3 . 15517 1 619 . 1 1 52 52 LYS HE2 H 1 2.947 0.02 . 2 . . . . 52 LYS HE2 . 15517 1 620 . 1 1 52 52 LYS HE3 H 1 2.947 0.02 . 1 . . . . 52 LYS HE3 . 15517 1 621 . 1 1 52 52 LYS HG2 H 1 1.370 0.02 . 2 . . . . 52 LYS HG2 . 15517 1 622 . 1 1 52 52 LYS HG3 H 1 1.500 0.02 . 2 . . . . 52 LYS HG3 . 15517 1 623 . 1 1 52 52 LYS C C 13 178.100 0.10 . 1 . . . . 52 LYS C . 15517 1 624 . 1 1 52 52 LYS CA C 13 59.500 0.05 . 1 . . . . 52 LYS CA . 15517 1 625 . 1 1 52 52 LYS CB C 13 32.300 0.05 . 1 . . . . 52 LYS CB . 15517 1 626 . 1 1 52 52 LYS CD C 13 29.310 0.05 . 1 . . . . 52 LYS CD . 15517 1 627 . 1 1 52 52 LYS CE C 13 42.140 0.05 . 1 . . . . 52 LYS CE . 15517 1 628 . 1 1 52 52 LYS CG C 13 24.600 0.05 . 1 . . . . 52 LYS CG . 15517 1 629 . 1 1 52 52 LYS N N 15 125.800 0.05 . 1 . . . . 52 LYS N . 15517 1 630 . 1 1 53 53 ASP H H 1 8.536 0.02 . 1 . . . . 53 ASP H . 15517 1 631 . 1 1 53 53 ASP HA H 1 4.500 0.02 . 1 . . . . 53 ASP HA . 15517 1 632 . 1 1 53 53 ASP HB2 H 1 2.990 0.02 . 2 . . . . 53 ASP HB2 . 15517 1 633 . 1 1 53 53 ASP HB3 H 1 2.620 0.02 . 2 . . . . 53 ASP HB3 . 15517 1 634 . 1 1 53 53 ASP C C 13 175.800 0.10 . 1 . . . . 53 ASP C . 15517 1 635 . 1 1 53 53 ASP CA C 13 52.700 0.05 . 1 . . . . 53 ASP CA . 15517 1 636 . 1 1 53 53 ASP CB C 13 38.800 0.05 . 1 . . . . 53 ASP CB . 15517 1 637 . 1 1 53 53 ASP N N 15 115.700 0.05 . 1 . . . . 53 ASP N . 15517 1 638 . 1 1 54 54 LYS H H 1 7.749 0.02 . 1 . . . . 54 LYS H . 15517 1 639 . 1 1 54 54 LYS HA H 1 3.924 0.02 . 1 . . . . 54 LYS HA . 15517 1 640 . 1 1 54 54 LYS HB2 H 1 2.010 0.02 . 2 . . . . 54 LYS HB2 . 15517 1 641 . 1 1 54 54 LYS HB3 H 1 1.830 0.02 . 2 . . . . 54 LYS HB3 . 15517 1 642 . 1 1 54 54 LYS HD2 H 1 1.500 0.02 . 2 . . . . 54 LYS HD2 . 15517 1 643 . 1 1 54 54 LYS HD3 H 1 1.500 0.02 . 2 . . . . 54 LYS HD3 . 15517 1 644 . 1 1 54 54 LYS HE2 H 1 2.840 0.02 . 2 . . . . 54 LYS HE2 . 15517 1 645 . 1 1 54 54 LYS HE3 H 1 2.840 0.02 . 1 . . . . 54 LYS HE3 . 15517 1 646 . 1 1 54 54 LYS HG2 H 1 1.270 0.02 . 2 . . . . 54 LYS HG2 . 15517 1 647 . 1 1 54 54 LYS HG3 H 1 1.330 0.02 . 2 . . . . 54 LYS HG3 . 15517 1 648 . 1 1 54 54 LYS C C 13 176.700 0.10 . 1 . . . . 54 LYS C . 15517 1 649 . 1 1 54 54 LYS CA C 13 56.200 0.05 . 1 . . . . 54 LYS CA . 15517 1 650 . 1 1 54 54 LYS CB C 13 28.400 0.05 . 1 . . . . 54 LYS CB . 15517 1 651 . 1 1 54 54 LYS CD C 13 28.200 0.05 . 1 . . . . 54 LYS CD . 15517 1 652 . 1 1 54 54 LYS CE C 13 42.950 0.05 . 1 . . . . 54 LYS CE . 15517 1 653 . 1 1 54 54 LYS CG C 13 24.400 0.05 . 1 . . . . 54 LYS CG . 15517 1 654 . 1 1 54 54 LYS N N 15 116.900 0.05 . 1 . . . . 54 LYS N . 15517 1 655 . 1 1 55 55 SER H H 1 9.030 0.02 . 1 . . . . 55 SER H . 15517 1 656 . 1 1 55 55 SER HA H 1 4.333 0.02 . 1 . . . . 55 SER HA . 15517 1 657 . 1 1 55 55 SER HB2 H 1 4.070 0.02 . 2 . . . . 55 SER HB2 . 15517 1 658 . 1 1 55 55 SER HB3 H 1 3.806 0.02 . 2 . . . . 55 SER HB3 . 15517 1 659 . 1 1 55 55 SER C C 13 176.400 0.10 . 1 . . . . 55 SER C . 15517 1 660 . 1 1 55 55 SER CA C 13 59.100 0.05 . 1 . . . . 55 SER CA . 15517 1 661 . 1 1 55 55 SER CB C 13 64.400 0.05 . 1 . . . . 55 SER CB . 15517 1 662 . 1 1 55 55 SER N N 15 117.700 0.05 . 1 . . . . 55 SER N . 15517 1 663 . 1 1 56 56 GLY H H 1 10.840 0.02 . 1 . . . . 56 GLY H . 15517 1 664 . 1 1 56 56 GLY HA2 H 1 4.127 0.02 . 2 . . . . 56 GLY HA2 . 15517 1 665 . 1 1 56 56 GLY HA3 H 1 3.394 0.02 . 2 . . . . 56 GLY HA3 . 15517 1 666 . 1 1 56 56 GLY C C 13 172.000 0.10 . 1 . . . . 56 GLY C . 15517 1 667 . 1 1 56 56 GLY CA C 13 44.600 0.05 . 1 . . . . 56 GLY CA . 15517 1 668 . 1 1 56 56 GLY N N 15 115.900 0.05 . 1 . . . . 56 GLY N . 15517 1 669 . 1 1 57 57 PHE H H 1 7.914 0.02 . 1 . . . . 57 PHE H . 15517 1 670 . 1 1 57 57 PHE HA H 1 5.260 0.02 . 1 . . . . 57 PHE HA . 15517 1 671 . 1 1 57 57 PHE HB2 H 1 2.643 0.02 . 2 . . . . 57 PHE HB2 . 15517 1 672 . 1 1 57 57 PHE HB3 H 1 2.643 0.02 . 2 . . . . 57 PHE HB3 . 15517 1 673 . 1 1 57 57 PHE HD1 H 1 6.950 0.02 . 2 . . . . 57 PHE HD1 . 15517 1 674 . 1 1 57 57 PHE HD2 H 1 6.950 0.02 . 2 . . . . 57 PHE HD2 . 15517 1 675 . 1 1 57 57 PHE HE1 H 1 7.400 0.02 . 3 . . . . 57 PHE HE1 . 15517 1 676 . 1 1 57 57 PHE HE2 H 1 7.400 0.02 . 3 . . . . 57 PHE HE2 . 15517 1 677 . 1 1 57 57 PHE C C 13 173.600 0.10 . 1 . . . . 57 PHE C . 15517 1 678 . 1 1 57 57 PHE CA C 13 56.200 0.05 . 1 . . . . 57 PHE CA . 15517 1 679 . 1 1 57 57 PHE CB C 13 43.770 0.05 . 1 . . . . 57 PHE CB . 15517 1 680 . 1 1 57 57 PHE N N 15 115.700 0.05 . 1 . . . . 57 PHE N . 15517 1 681 . 1 1 58 58 ILE H H 1 9.296 0.02 . 1 . . . . 58 ILE H . 15517 1 682 . 1 1 58 58 ILE HA H 1 4.320 0.02 . 1 . . . . 58 ILE HA . 15517 1 683 . 1 1 58 58 ILE HB H 1 1.710 0.02 . 1 . . . . 58 ILE HB . 15517 1 684 . 1 1 58 58 ILE HD11 H 1 0.307 0.02 . 2 . . . . 58 ILE HD1 . 15517 1 685 . 1 1 58 58 ILE HD12 H 1 0.307 0.02 . 2 . . . . 58 ILE HD1 . 15517 1 686 . 1 1 58 58 ILE HD13 H 1 0.307 0.02 . 2 . . . . 58 ILE HD1 . 15517 1 687 . 1 1 58 58 ILE HG12 H 1 1.250 0.02 . 2 . . . . 58 ILE HG12 . 15517 1 688 . 1 1 58 58 ILE HG13 H 1 1.250 0.02 . 2 . . . . 58 ILE HG13 . 15517 1 689 . 1 1 58 58 ILE HG21 H 1 0.790 0.02 . 2 . . . . 58 ILE HG2 . 15517 1 690 . 1 1 58 58 ILE HG22 H 1 0.790 0.02 . 2 . . . . 58 ILE HG2 . 15517 1 691 . 1 1 58 58 ILE HG23 H 1 0.790 0.02 . 2 . . . . 58 ILE HG2 . 15517 1 692 . 1 1 58 58 ILE C C 13 176.300 0.10 . 1 . . . . 58 ILE C . 15517 1 693 . 1 1 58 58 ILE CA C 13 61.100 0.05 . 1 . . . . 58 ILE CA . 15517 1 694 . 1 1 58 58 ILE CB C 13 38.800 0.05 . 1 . . . . 58 ILE CB . 15517 1 695 . 1 1 58 58 ILE CD1 C 13 13.900 0.05 . 1 . . . . 58 ILE CD1 . 15517 1 696 . 1 1 58 58 ILE CG1 C 13 26.500 0.05 . 1 . . . . 58 ILE CG1 . 15517 1 697 . 1 1 58 58 ILE CG2 C 13 18.100 0.05 . 1 . . . . 58 ILE CG2 . 15517 1 698 . 1 1 58 58 ILE N N 15 121.200 0.05 . 1 . . . . 58 ILE N . 15517 1 699 . 1 1 59 59 GLU H H 1 8.694 0.02 . 1 . . . . 59 GLU H . 15517 1 700 . 1 1 59 59 GLU HA H 1 4.480 0.02 . 1 . . . . 59 GLU HA . 15517 1 701 . 1 1 59 59 GLU HB2 H 1 2.374 0.02 . 2 . . . . 59 GLU HB2 . 15517 1 702 . 1 1 59 59 GLU HB3 H 1 1.957 0.02 . 2 . . . . 59 GLU HB3 . 15517 1 703 . 1 1 59 59 GLU HG2 H 1 2.297 0.02 . 2 . . . . 59 GLU HG2 . 15517 1 704 . 1 1 59 59 GLU HG3 H 1 2.297 0.02 . 2 . . . . 59 GLU HG3 . 15517 1 705 . 1 1 59 59 GLU C C 13 177.100 0.10 . 1 . . . . 59 GLU C . 15517 1 706 . 1 1 59 59 GLU CA C 13 55.600 0.05 . 1 . . . . 59 GLU CA . 15517 1 707 . 1 1 59 59 GLU CB C 13 30.500 0.05 . 1 . . . . 59 GLU CB . 15517 1 708 . 1 1 59 59 GLU CG C 13 36.840 0.05 . 1 . . . . 59 GLU CG . 15517 1 709 . 1 1 59 59 GLU N N 15 126.700 0.05 . 1 . . . . 59 GLU N . 15517 1 710 . 1 1 60 60 GLU H H 1 9.154 0.02 . 1 . . . . 60 GLU H . 15517 1 711 . 1 1 60 60 GLU HA H 1 3.651 0.02 . 1 . . . . 60 GLU HA . 15517 1 712 . 1 1 60 60 GLU HB2 H 1 2.027 0.02 . 2 . . . . 60 GLU HB2 . 15517 1 713 . 1 1 60 60 GLU HB3 H 1 2.122 0.02 . 2 . . . . 60 GLU HB3 . 15517 1 714 . 1 1 60 60 GLU HG2 H 1 2.120 0.02 . 2 . . . . 60 GLU HG2 . 15517 1 715 . 1 1 60 60 GLU HG3 H 1 2.210 0.02 . 2 . . . . 60 GLU HG3 . 15517 1 716 . 1 1 60 60 GLU C C 13 177.900 0.10 . 1 . . . . 60 GLU C . 15517 1 717 . 1 1 60 60 GLU CA C 13 61.300 0.05 . 1 . . . . 60 GLU CA . 15517 1 718 . 1 1 60 60 GLU CB C 13 29.600 0.05 . 1 . . . . 60 GLU CB . 15517 1 719 . 1 1 60 60 GLU CG C 13 36.300 0.05 . 1 . . . . 60 GLU CG . 15517 1 720 . 1 1 60 60 GLU N N 15 122.100 0.05 . 1 . . . . 60 GLU N . 15517 1 721 . 1 1 61 61 ASP H H 1 8.717 0.02 . 1 . . . . 61 ASP H . 15517 1 722 . 1 1 61 61 ASP HA H 1 4.360 0.02 . 1 . . . . 61 ASP HA . 15517 1 723 . 1 1 61 61 ASP HB2 H 1 2.660 0.02 . 2 . . . . 61 ASP HB2 . 15517 1 724 . 1 1 61 61 ASP HB3 H 1 2.660 0.02 . 2 . . . . 61 ASP HB3 . 15517 1 725 . 1 1 61 61 ASP C C 13 178.000 0.10 . 1 . . . . 61 ASP C . 15517 1 726 . 1 1 61 61 ASP CA C 13 56.460 0.05 . 1 . . . . 61 ASP CA . 15517 1 727 . 1 1 61 61 ASP CB C 13 39.720 0.05 . 1 . . . . 61 ASP CB . 15517 1 728 . 1 1 61 61 ASP N N 15 115.300 0.05 . 1 . . . . 61 ASP N . 15517 1 729 . 1 1 62 62 GLU H H 1 7.450 0.02 . 1 . . . . 62 GLU H . 15517 1 730 . 1 1 62 62 GLU HA H 1 4.200 0.02 . 1 . . . . 62 GLU HA . 15517 1 731 . 1 1 62 62 GLU HB2 H 1 1.920 0.02 . 2 . . . . 62 GLU HB2 . 15517 1 732 . 1 1 62 62 GLU HB3 H 1 1.920 0.02 . 2 . . . . 62 GLU HB3 . 15517 1 733 . 1 1 62 62 GLU C C 13 178.600 0.10 . 1 . . . . 62 GLU C . 15517 1 734 . 1 1 62 62 GLU CA C 13 57.250 0.05 . 1 . . . . 62 GLU CA . 15517 1 735 . 1 1 62 62 GLU CB C 13 32.900 0.05 . 1 . . . . 62 GLU CB . 15517 1 736 . 1 1 62 62 GLU N N 15 119.300 0.05 . 1 . . . . 62 GLU N . 15517 1 737 . 1 1 63 63 LEU H H 1 8.210 0.02 . 1 . . . . 63 LEU H . 15517 1 738 . 1 1 63 63 LEU HA H 1 3.900 0.02 . 1 . . . . 63 LEU HA . 15517 1 739 . 1 1 63 63 LEU HB2 H 1 1.780 0.02 . 2 . . . . 63 LEU HB2 . 15517 1 740 . 1 1 63 63 LEU HB3 H 1 1.505 0.02 . 2 . . . . 63 LEU HB3 . 15517 1 741 . 1 1 63 63 LEU HD11 H 1 0.890 0.02 . 2 . . . . 63 LEU HD1 . 15517 1 742 . 1 1 63 63 LEU HD12 H 1 0.890 0.02 . 2 . . . . 63 LEU HD1 . 15517 1 743 . 1 1 63 63 LEU HD13 H 1 0.890 0.02 . 2 . . . . 63 LEU HD1 . 15517 1 744 . 1 1 63 63 LEU HD21 H 1 0.887 0.02 . 2 . . . . 63 LEU HD2 . 15517 1 745 . 1 1 63 63 LEU HD22 H 1 0.887 0.02 . 2 . . . . 63 LEU HD2 . 15517 1 746 . 1 1 63 63 LEU HD23 H 1 0.887 0.02 . 2 . . . . 63 LEU HD2 . 15517 1 747 . 1 1 63 63 LEU C C 13 178.200 0.10 . 1 . . . . 63 LEU C . 15517 1 748 . 1 1 63 63 LEU CA C 13 57.000 0.05 . 1 . . . . 63 LEU CA . 15517 1 749 . 1 1 63 63 LEU CB C 13 42.000 0.05 . 1 . . . . 63 LEU CB . 15517 1 750 . 1 1 63 63 LEU CD1 C 13 23.900 0.05 . 1 . . . . 63 LEU CD1 . 15517 1 751 . 1 1 63 63 LEU CD2 C 13 26.100 0.05 . 1 . . . . 63 LEU CD2 . 15517 1 752 . 1 1 63 63 LEU CG C 13 32.800 0.05 . 1 . . . . 63 LEU CG . 15517 1 753 . 1 1 63 63 LEU N N 15 123.300 0.05 . 1 . . . . 63 LEU N . 15517 1 754 . 1 1 64 64 GLY H H 1 8.097 0.02 . 1 . . . . 64 GLY H . 15517 1 755 . 1 1 64 64 GLY HA2 H 1 3.960 0.02 . 2 . . . . 64 GLY HA2 . 15517 1 756 . 1 1 64 64 GLY HA3 H 1 3.890 0.02 . 2 . . . . 64 GLY HA3 . 15517 1 757 . 1 1 64 64 GLY C C 13 175.900 0.10 . 1 . . . . 64 GLY C . 15517 1 758 . 1 1 64 64 GLY CA C 13 46.800 0.05 . 1 . . . . 64 GLY CA . 15517 1 759 . 1 1 64 64 GLY N N 15 103.430 0.05 . 1 . . . . 64 GLY N . 15517 1 760 . 1 1 65 65 SER H H 1 7.340 0.02 . 1 . . . . 65 SER H . 15517 1 761 . 1 1 65 65 SER HA H 1 4.870 0.02 . 1 . . . . 65 SER HA . 15517 1 762 . 1 1 65 65 SER HB2 H 1 4.090 0.02 . 2 . . . . 65 SER HB2 . 15517 1 763 . 1 1 65 65 SER HB3 H 1 3.860 0.02 . 2 . . . . 65 SER HB3 . 15517 1 764 . 1 1 65 65 SER C C 13 176.600 0.10 . 1 . . . . 65 SER C . 15517 1 765 . 1 1 65 65 SER CA C 13 57.600 0.05 . 1 . . . . 65 SER CA . 15517 1 766 . 1 1 65 65 SER CB C 13 63.700 0.05 . 1 . . . . 65 SER CB . 15517 1 767 . 1 1 65 65 SER N N 15 114.100 0.05 . 1 . . . . 65 SER N . 15517 1 768 . 1 1 66 66 ILE H H 1 7.677 0.02 . 1 . . . . 66 ILE H . 15517 1 769 . 1 1 66 66 ILE HA H 1 4.008 0.02 . 1 . . . . 66 ILE HA . 15517 1 770 . 1 1 66 66 ILE HB H 1 2.200 0.02 . 1 . . . . 66 ILE HB . 15517 1 771 . 1 1 66 66 ILE HD11 H 1 0.980 0.02 . 2 . . . . 66 ILE HD1 . 15517 1 772 . 1 1 66 66 ILE HD12 H 1 0.980 0.02 . 2 . . . . 66 ILE HD1 . 15517 1 773 . 1 1 66 66 ILE HD13 H 1 0.980 0.02 . 2 . . . . 66 ILE HD1 . 15517 1 774 . 1 1 66 66 ILE HG12 H 1 1.781 0.02 . 2 . . . . 66 ILE HG12 . 15517 1 775 . 1 1 66 66 ILE HG13 H 1 1.255 0.02 . 2 . . . . 66 ILE HG13 . 15517 1 776 . 1 1 66 66 ILE HG21 H 1 0.727 0.02 . 2 . . . . 66 ILE HG2 . 15517 1 777 . 1 1 66 66 ILE HG22 H 1 0.727 0.02 . 2 . . . . 66 ILE HG2 . 15517 1 778 . 1 1 66 66 ILE HG23 H 1 0.727 0.02 . 2 . . . . 66 ILE HG2 . 15517 1 779 . 1 1 66 66 ILE C C 13 176.400 0.10 . 1 . . . . 66 ILE C . 15517 1 780 . 1 1 66 66 ILE CA C 13 65.100 0.05 . 1 . . . . 66 ILE CA . 15517 1 781 . 1 1 66 66 ILE CB C 13 37.800 0.05 . 1 . . . . 66 ILE CB . 15517 1 782 . 1 1 66 66 ILE CD1 C 13 13.700 0.05 . 1 . . . . 66 ILE CD1 . 15517 1 783 . 1 1 66 66 ILE CG1 C 13 29.100 0.05 . 1 . . . . 66 ILE CG1 . 15517 1 784 . 1 1 66 66 ILE CG2 C 13 16.200 0.05 . 1 . . . . 66 ILE CG2 . 15517 1 785 . 1 1 66 66 ILE N N 15 122.400 0.05 . 1 . . . . 66 ILE N . 15517 1 786 . 1 1 67 67 LEU H H 1 8.712 0.02 . 1 . . . . 67 LEU H . 15517 1 787 . 1 1 67 67 LEU HA H 1 4.019 0.02 . 1 . . . . 67 LEU HA . 15517 1 788 . 1 1 67 67 LEU HB2 H 1 1.871 0.02 . 2 . . . . 67 LEU HB2 . 15517 1 789 . 1 1 67 67 LEU HB3 H 1 1.114 0.02 . 2 . . . . 67 LEU HB3 . 15517 1 790 . 1 1 67 67 LEU HD11 H 1 0.489 0.02 . 2 . . . . 67 LEU HD1 . 15517 1 791 . 1 1 67 67 LEU HD12 H 1 0.489 0.02 . 2 . . . . 67 LEU HD1 . 15517 1 792 . 1 1 67 67 LEU HD13 H 1 0.489 0.02 . 2 . . . . 67 LEU HD1 . 15517 1 793 . 1 1 67 67 LEU HD21 H 1 -0.094 0.02 . 2 . . . . 67 LEU HD2 . 15517 1 794 . 1 1 67 67 LEU HD22 H 1 -0.094 0.02 . 2 . . . . 67 LEU HD2 . 15517 1 795 . 1 1 67 67 LEU HD23 H 1 -0.094 0.02 . 2 . . . . 67 LEU HD2 . 15517 1 796 . 1 1 67 67 LEU HG H 1 1.150 0.02 . 1 . . . . 67 LEU HG . 15517 1 797 . 1 1 67 67 LEU C C 13 180.400 0.10 . 1 . . . . 67 LEU C . 15517 1 798 . 1 1 67 67 LEU CA C 13 58.300 0.05 . 1 . . . . 67 LEU CA . 15517 1 799 . 1 1 67 67 LEU CB C 13 40.700 0.05 . 1 . . . . 67 LEU CB . 15517 1 800 . 1 1 67 67 LEU CD1 C 13 24.300 0.05 . 1 . . . . 67 LEU CD1 . 15517 1 801 . 1 1 67 67 LEU CD2 C 13 21.800 0.05 . 1 . . . . 67 LEU CD2 . 15517 1 802 . 1 1 67 67 LEU CG C 13 26.200 0.05 . 1 . . . . 67 LEU CG . 15517 1 803 . 1 1 67 67 LEU N N 15 118.900 0.05 . 1 . . . . 67 LEU N . 15517 1 804 . 1 1 68 68 LYS H H 1 7.430 0.02 . 1 . . . . 68 LYS H . 15517 1 805 . 1 1 68 68 LYS HA H 1 4.703 0.02 . 1 . . . . 68 LYS HA . 15517 1 806 . 1 1 68 68 LYS HB2 H 1 1.820 0.02 . 2 . . . . 68 LYS HB2 . 15517 1 807 . 1 1 68 68 LYS HB3 H 1 1.900 0.02 . 2 . . . . 68 LYS HB3 . 15517 1 808 . 1 1 68 68 LYS HD2 H 1 1.670 0.02 . 2 . . . . 68 LYS HD2 . 15517 1 809 . 1 1 68 68 LYS HD3 H 1 1.670 0.02 . 2 . . . . 68 LYS HD3 . 15517 1 810 . 1 1 68 68 LYS HE2 H 1 3.060 0.02 . 2 . . . . 68 LYS HE2 . 15517 1 811 . 1 1 68 68 LYS HE3 H 1 3.000 0.02 . 1 . . . . 68 LYS HE3 . 15517 1 812 . 1 1 68 68 LYS HG2 H 1 1.380 0.02 . 2 . . . . 68 LYS HG2 . 15517 1 813 . 1 1 68 68 LYS HG3 H 1 1.280 0.02 . 2 . . . . 68 LYS HG3 . 15517 1 814 . 1 1 68 68 LYS C C 13 178.700 0.10 . 1 . . . . 68 LYS C . 15517 1 815 . 1 1 68 68 LYS CA C 13 57.400 0.05 . 1 . . . . 68 LYS CA . 15517 1 816 . 1 1 68 68 LYS CB C 13 32.890 0.05 . 1 . . . . 68 LYS CB . 15517 1 817 . 1 1 68 68 LYS CD C 13 30.290 0.05 . 1 . . . . 68 LYS CD . 15517 1 818 . 1 1 68 68 LYS CE C 13 43.300 0.05 . 1 . . . . 68 LYS CE . 15517 1 819 . 1 1 68 68 LYS CG C 13 27.120 0.05 . 1 . . . . 68 LYS CG . 15517 1 820 . 1 1 68 68 LYS N N 15 117.300 0.05 . 1 . . . . 68 LYS N . 15517 1 821 . 1 1 69 69 GLY H H 1 7.711 0.02 . 1 . . . . 69 GLY H . 15517 1 822 . 1 1 69 69 GLY HA2 H 1 3.750 0.02 . 2 . . . . 69 GLY HA2 . 15517 1 823 . 1 1 69 69 GLY HA3 H 1 3.291 0.02 . 2 . . . . 69 GLY HA3 . 15517 1 824 . 1 1 69 69 GLY C C 13 173.700 0.10 . 1 . . . . 69 GLY C . 15517 1 825 . 1 1 69 69 GLY CA C 13 45.800 0.05 . 1 . . . . 69 GLY CA . 15517 1 826 . 1 1 69 69 GLY N N 15 105.500 0.05 . 1 . . . . 69 GLY N . 15517 1 827 . 1 1 70 70 PHE H H 1 7.617 0.02 . 1 . . . . 70 PHE H . 15517 1 828 . 1 1 70 70 PHE HA H 1 4.326 0.02 . 1 . . . . 70 PHE HA . 15517 1 829 . 1 1 70 70 PHE HB2 H 1 3.448 0.02 . 2 . . . . 70 PHE HB2 . 15517 1 830 . 1 1 70 70 PHE HB3 H 1 3.063 0.02 . 2 . . . . 70 PHE HB3 . 15517 1 831 . 1 1 70 70 PHE HD1 H 1 6.720 0.02 . 2 . . . . 70 PHE HD1 . 15517 1 832 . 1 1 70 70 PHE HD2 H 1 6.720 0.02 . 2 . . . . 70 PHE HD2 . 15517 1 833 . 1 1 70 70 PHE C C 13 175.500 0.10 . 1 . . . . 70 PHE C . 15517 1 834 . 1 1 70 70 PHE CA C 13 60.200 0.05 . 1 . . . . 70 PHE CA . 15517 1 835 . 1 1 70 70 PHE CB C 13 39.200 0.05 . 1 . . . . 70 PHE CB . 15517 1 836 . 1 1 70 70 PHE HE1 H 1 6.390 0.05 . 3 . . . . 70 PHE HE1 . 15517 1 837 . 1 1 70 70 PHE HE2 H 1 6.390 0.05 . 3 . . . . 70 PHE HE2 . 15517 1 838 . 1 1 70 70 PHE N N 15 117.060 0.05 . 1 . . . . 70 PHE N . 15517 1 839 . 1 1 71 71 SER H H 1 8.030 0.02 . 1 . . . . 71 SER H . 15517 1 840 . 1 1 71 71 SER HA H 1 4.576 0.02 . 1 . . . . 71 SER HA . 15517 1 841 . 1 1 71 71 SER HB2 H 1 3.620 0.02 . 2 . . . . 71 SER HB2 . 15517 1 842 . 1 1 71 71 SER HB3 H 1 3.620 0.02 . 2 . . . . 71 SER HB3 . 15517 1 843 . 1 1 71 71 SER C C 13 175.500 0.10 . 1 . . . . 71 SER C . 15517 1 844 . 1 1 71 71 SER CA C 13 57.800 0.05 . 1 . . . . 71 SER CA . 15517 1 845 . 1 1 71 71 SER CB C 13 64.700 0.05 . 1 . . . . 71 SER CB . 15517 1 846 . 1 1 71 71 SER N N 15 112.200 0.05 . 1 . . . . 71 SER N . 15517 1 847 . 1 1 72 72 SER H H 1 8.993 0.02 . 1 . . . . 72 SER H . 15517 1 848 . 1 1 72 72 SER HA H 1 4.323 0.02 . 1 . . . . 72 SER HA . 15517 1 849 . 1 1 72 72 SER HB2 H 1 3.982 0.02 . 2 . . . . 72 SER HB2 . 15517 1 850 . 1 1 72 72 SER HB3 H 1 3.982 0.02 . 2 . . . . 72 SER HB3 . 15517 1 851 . 1 1 72 72 SER C C 13 173.700 0.10 . 1 . . . . 72 SER C . 15517 1 852 . 1 1 72 72 SER CA C 13 61.900 0.05 . 1 . . . . 72 SER CA . 15517 1 853 . 1 1 72 72 SER CB C 13 63.050 0.05 . 1 . . . . 72 SER CB . 15517 1 854 . 1 1 72 72 SER N N 15 123.900 0.05 . 1 . . . . 72 SER N . 15517 1 855 . 1 1 73 73 ASP H H 1 8.084 0.02 . 1 . . . . 73 ASP H . 15517 1 856 . 1 1 73 73 ASP HA H 1 4.593 0.02 . 1 . . . . 73 ASP HA . 15517 1 857 . 1 1 73 73 ASP HB2 H 1 2.660 0.02 . 2 . . . . 73 ASP HB2 . 15517 1 858 . 1 1 73 73 ASP HB3 H 1 2.660 0.02 . 2 . . . . 73 ASP HB3 . 15517 1 859 . 1 1 73 73 ASP C C 13 175.900 0.10 . 1 . . . . 73 ASP C . 15517 1 860 . 1 1 73 73 ASP CA C 13 53.400 0.05 . 1 . . . . 73 ASP CA . 15517 1 861 . 1 1 73 73 ASP CB C 13 40.500 0.05 . 1 . . . . 73 ASP CB . 15517 1 862 . 1 1 73 73 ASP N N 15 118.500 0.05 . 1 . . . . 73 ASP N . 15517 1 863 . 1 1 74 74 ALA H H 1 7.760 0.02 . 1 . . . . 74 ALA H . 15517 1 864 . 1 1 74 74 ALA HA H 1 4.210 0.02 . 1 . . . . 74 ALA HA . 15517 1 865 . 1 1 74 74 ALA HB1 H 1 1.370 0.02 . 2 . . . . 74 ALA HB . 15517 1 866 . 1 1 74 74 ALA HB2 H 1 1.370 0.02 . 2 . . . . 74 ALA HB . 15517 1 867 . 1 1 74 74 ALA HB3 H 1 1.370 0.02 . 2 . . . . 74 ALA HB . 15517 1 868 . 1 1 74 74 ALA C C 13 176.100 0.10 . 1 . . . . 74 ALA C . 15517 1 869 . 1 1 74 74 ALA CA C 13 51.900 0.05 . 1 . . . . 74 ALA CA . 15517 1 870 . 1 1 74 74 ALA CB C 13 22.200 0.05 . 1 . . . . 74 ALA CB . 15517 1 871 . 1 1 74 74 ALA N N 15 123.100 0.05 . 1 . . . . 74 ALA N . 15517 1 872 . 1 1 75 75 ARG H H 1 8.159 0.02 . 1 . . . . 75 ARG H . 15517 1 873 . 1 1 75 75 ARG HA H 1 4.325 0.02 . 1 . . . . 75 ARG HA . 15517 1 874 . 1 1 75 75 ARG HB2 H 1 1.950 0.02 . 2 . . . . 75 ARG HB2 . 15517 1 875 . 1 1 75 75 ARG HB3 H 1 1.790 0.02 . 2 . . . . 75 ARG HB3 . 15517 1 876 . 1 1 75 75 ARG HD2 H 1 3.140 0.02 . 2 . . . . 75 ARG HD2 . 15517 1 877 . 1 1 75 75 ARG HD3 H 1 3.050 0.02 . 2 . . . . 75 ARG HD3 . 15517 1 878 . 1 1 75 75 ARG HE H 1 6.974 0.02 . 1 . . . . 75 ARG HE . 15517 1 879 . 1 1 75 75 ARG HG2 H 1 1.140 0.02 . 2 . . . . 75 ARG HG2 . 15517 1 880 . 1 1 75 75 ARG HG3 H 1 1.440 0.02 . 2 . . . . 75 ARG HG3 . 15517 1 881 . 1 1 75 75 ARG C C 13 175.600 0.10 . 1 . . . . 75 ARG C . 15517 1 882 . 1 1 75 75 ARG CA C 13 54.700 0.05 . 1 . . . . 75 ARG CA . 15517 1 883 . 1 1 75 75 ARG CB C 13 30.900 0.05 . 1 . . . . 75 ARG CB . 15517 1 884 . 1 1 75 75 ARG CD C 13 43.700 0.05 . 1 . . . . 75 ARG CD . 15517 1 885 . 1 1 75 75 ARG CG C 13 26.500 0.05 . 1 . . . . 75 ARG CG . 15517 1 886 . 1 1 75 75 ARG N N 15 116.800 0.05 . 1 . . . . 75 ARG N . 15517 1 887 . 1 1 75 75 ARG NE N 15 119.400 0.05 . 1 . . . . 75 ARG NE . 15517 1 888 . 1 1 76 76 ASP H H 1 8.078 0.02 . 1 . . . . 76 ASP H . 15517 1 889 . 1 1 76 76 ASP HA H 1 4.720 0.02 . 1 . . . . 76 ASP HA . 15517 1 890 . 1 1 76 76 ASP HB2 H 1 2.550 0.02 . 2 . . . . 76 ASP HB2 . 15517 1 891 . 1 1 76 76 ASP HB3 H 1 2.310 0.02 . 2 . . . . 76 ASP HB3 . 15517 1 892 . 1 1 76 76 ASP C C 13 178.300 0.10 . 1 . . . . 76 ASP C . 15517 1 893 . 1 1 76 76 ASP CA C 13 54.300 0.05 . 1 . . . . 76 ASP CA . 15517 1 894 . 1 1 76 76 ASP CB C 13 41.300 0.05 . 1 . . . . 76 ASP CB . 15517 1 895 . 1 1 76 76 ASP N N 15 117.060 0.05 . 1 . . . . 76 ASP N . 15517 1 896 . 1 1 77 77 LEU H H 1 8.774 0.02 . 1 . . . . 77 LEU H . 15517 1 897 . 1 1 77 77 LEU HA H 1 4.306 0.02 . 1 . . . . 77 LEU HA . 15517 1 898 . 1 1 77 77 LEU HB2 H 1 1.846 0.02 . 2 . . . . 77 LEU HB2 . 15517 1 899 . 1 1 77 77 LEU HB3 H 1 1.508 0.02 . 2 . . . . 77 LEU HB3 . 15517 1 900 . 1 1 77 77 LEU HD11 H 1 0.321 0.02 . 2 . . . . 77 LEU HD1 . 15517 1 901 . 1 1 77 77 LEU HD12 H 1 0.321 0.02 . 2 . . . . 77 LEU HD1 . 15517 1 902 . 1 1 77 77 LEU HD13 H 1 0.321 0.02 . 2 . . . . 77 LEU HD1 . 15517 1 903 . 1 1 77 77 LEU HD21 H 1 -0.016 0.02 . 2 . . . . 77 LEU HD2 . 15517 1 904 . 1 1 77 77 LEU HD22 H 1 -0.016 0.02 . 2 . . . . 77 LEU HD2 . 15517 1 905 . 1 1 77 77 LEU HD23 H 1 -0.016 0.02 . 2 . . . . 77 LEU HD2 . 15517 1 906 . 1 1 77 77 LEU HG H 1 1.510 0.02 . 1 . . . . 77 LEU HG . 15517 1 907 . 1 1 77 77 LEU C C 13 178.200 0.10 . 1 . . . . 77 LEU C . 15517 1 908 . 1 1 77 77 LEU CA C 13 54.200 0.05 . 1 . . . . 77 LEU CA . 15517 1 909 . 1 1 77 77 LEU CB C 13 41.900 0.05 . 1 . . . . 77 LEU CB . 15517 1 910 . 1 1 77 77 LEU CD1 C 13 25.600 0.05 . 1 . . . . 77 LEU CD1 . 15517 1 911 . 1 1 77 77 LEU CD2 C 13 21.200 0.05 . 1 . . . . 77 LEU CD2 . 15517 1 912 . 1 1 77 77 LEU CG C 13 26.800 0.05 . 1 . . . . 77 LEU CG . 15517 1 913 . 1 1 77 77 LEU N N 15 121.100 0.05 . 1 . . . . 77 LEU N . 15517 1 914 . 1 1 78 78 SER H H 1 10.219 0.02 . 1 . . . . 78 SER H . 15517 1 915 . 1 1 78 78 SER HA H 1 4.547 0.02 . 1 . . . . 78 SER HA . 15517 1 916 . 1 1 78 78 SER HB2 H 1 4.520 0.02 . 2 . . . . 78 SER HB2 . 15517 1 917 . 1 1 78 78 SER HB3 H 1 4.150 0.02 . 2 . . . . 78 SER HB3 . 15517 1 918 . 1 1 78 78 SER C C 13 175.900 0.10 . 1 . . . . 78 SER C . 15517 1 919 . 1 1 78 78 SER CA C 13 56.900 0.05 . 1 . . . . 78 SER CA . 15517 1 920 . 1 1 78 78 SER CB C 13 66.000 0.05 . 1 . . . . 78 SER CB . 15517 1 921 . 1 1 78 78 SER N N 15 119.400 0.05 . 1 . . . . 78 SER N . 15517 1 922 . 1 1 79 79 ALA H H 1 9.111 0.02 . 1 . . . . 79 ALA H . 15517 1 923 . 1 1 79 79 ALA HA H 1 4.193 0.02 . 1 . . . . 79 ALA HA . 15517 1 924 . 1 1 79 79 ALA HB1 H 1 1.476 0.02 . 2 . . . . 79 ALA HB . 15517 1 925 . 1 1 79 79 ALA HB2 H 1 1.476 0.02 . 2 . . . . 79 ALA HB . 15517 1 926 . 1 1 79 79 ALA HB3 H 1 1.476 0.02 . 2 . . . . 79 ALA HB . 15517 1 927 . 1 1 79 79 ALA C C 13 180.200 0.10 . 1 . . . . 79 ALA C . 15517 1 928 . 1 1 79 79 ALA CA C 13 55.600 0.05 . 1 . . . . 79 ALA CA . 15517 1 929 . 1 1 79 79 ALA CB C 13 17.600 0.05 . 1 . . . . 79 ALA CB . 15517 1 930 . 1 1 79 79 ALA N N 15 125.800 0.05 . 1 . . . . 79 ALA N . 15517 1 931 . 1 1 80 80 LYS H H 1 8.390 0.02 . 1 . . . . 80 LYS H . 15517 1 932 . 1 1 80 80 LYS HA H 1 4.040 0.02 . 1 . . . . 80 LYS HA . 15517 1 933 . 1 1 80 80 LYS HB2 H 1 1.880 0.02 . 2 . . . . 80 LYS HB2 . 15517 1 934 . 1 1 80 80 LYS HB3 H 1 1.750 0.02 . 2 . . . . 80 LYS HB3 . 15517 1 935 . 1 1 80 80 LYS HD2 H 1 1.670 0.02 . 2 . . . . 80 LYS HD2 . 15517 1 936 . 1 1 80 80 LYS HD3 H 1 1.670 0.02 . 2 . . . . 80 LYS HD3 . 15517 1 937 . 1 1 80 80 LYS HE2 H 1 2.950 0.02 . 2 . . . . 80 LYS HE2 . 15517 1 938 . 1 1 80 80 LYS HE3 H 1 2.950 0.02 . 1 . . . . 80 LYS HE3 . 15517 1 939 . 1 1 80 80 LYS HG2 H 1 1.360 0.02 . 2 . . . . 80 LYS HG2 . 15517 1 940 . 1 1 80 80 LYS HG3 H 1 1.360 0.02 . 2 . . . . 80 LYS HG3 . 15517 1 941 . 1 1 80 80 LYS C C 13 179.800 0.10 . 1 . . . . 80 LYS C . 15517 1 942 . 1 1 80 80 LYS CA C 13 59.500 0.05 . 1 . . . . 80 LYS CA . 15517 1 943 . 1 1 80 80 LYS CB C 13 32.600 0.05 . 1 . . . . 80 LYS CB . 15517 1 944 . 1 1 80 80 LYS CD C 13 29.700 0.05 . 1 . . . . 80 LYS CD . 15517 1 945 . 1 1 80 80 LYS CE C 13 42.600 0.05 . 1 . . . . 80 LYS CE . 15517 1 946 . 1 1 80 80 LYS CG C 13 24.500 0.05 . 1 . . . . 80 LYS CG . 15517 1 947 . 1 1 80 80 LYS N N 15 118.700 0.05 . 1 . . . . 80 LYS N . 15517 1 948 . 1 1 81 81 GLU H H 1 8.032 0.02 . 1 . . . . 81 GLU H . 15517 1 949 . 1 1 81 81 GLU HA H 1 4.055 0.02 . 1 . . . . 81 GLU HA . 15517 1 950 . 1 1 81 81 GLU HB2 H 1 2.550 0.02 . 2 . . . . 81 GLU HB2 . 15517 1 951 . 1 1 81 81 GLU HB3 H 1 1.930 0.02 . 2 . . . . 81 GLU HB3 . 15517 1 952 . 1 1 81 81 GLU HG2 H 1 2.460 0.02 . 2 . . . . 81 GLU HG2 . 15517 1 953 . 1 1 81 81 GLU HG3 H 1 2.700 0.02 . 2 . . . . 81 GLU HG3 . 15517 1 954 . 1 1 81 81 GLU C C 13 180.100 0.10 . 1 . . . . 81 GLU C . 15517 1 955 . 1 1 81 81 GLU CA C 13 59.100 0.05 . 1 . . . . 81 GLU CA . 15517 1 956 . 1 1 81 81 GLU CB C 13 31.900 0.05 . 1 . . . . 81 GLU CB . 15517 1 957 . 1 1 81 81 GLU CG C 13 38.100 0.05 . 1 . . . . 81 GLU CG . 15517 1 958 . 1 1 81 81 GLU N N 15 120.200 0.05 . 1 . . . . 81 GLU N . 15517 1 959 . 1 1 82 82 THR H H 1 8.860 0.02 . 1 . . . . 82 THR H . 15517 1 960 . 1 1 82 82 THR HA H 1 4.240 0.02 . 1 . . . . 82 THR HA . 15517 1 961 . 1 1 82 82 THR HB H 1 3.570 0.02 . 1 . . . . 82 THR HB . 15517 1 962 . 1 1 82 82 THR HG21 H 1 1.119 0.02 . 2 . . . . 82 THR HG2 . 15517 1 963 . 1 1 82 82 THR HG22 H 1 1.119 0.02 . 2 . . . . 82 THR HG2 . 15517 1 964 . 1 1 82 82 THR HG23 H 1 1.119 0.02 . 2 . . . . 82 THR HG2 . 15517 1 965 . 1 1 82 82 THR C C 13 175.900 0.10 . 1 . . . . 82 THR C . 15517 1 966 . 1 1 82 82 THR CA C 13 67.400 0.05 . 1 . . . . 82 THR CA . 15517 1 967 . 1 1 82 82 THR CB C 13 67.400 0.05 . 1 . . . . 82 THR CB . 15517 1 968 . 1 1 82 82 THR CG2 C 13 22.500 0.05 . 1 . . . . 82 THR CG2 . 15517 1 969 . 1 1 82 82 THR N N 15 117.500 0.05 . 1 . . . . 82 THR N . 15517 1 970 . 1 1 83 83 LYS H H 1 8.300 0.02 . 1 . . . . 83 LYS H . 15517 1 971 . 1 1 83 83 LYS HA H 1 3.948 0.02 . 1 . . . . 83 LYS HA . 15517 1 972 . 1 1 83 83 LYS HB2 H 1 1.930 0.02 . 2 . . . . 83 LYS HB2 . 15517 1 973 . 1 1 83 83 LYS HB3 H 1 1.930 0.02 . 2 . . . . 83 LYS HB3 . 15517 1 974 . 1 1 83 83 LYS HD2 H 1 1.670 0.02 . 2 . . . . 83 LYS HD2 . 15517 1 975 . 1 1 83 83 LYS HD3 H 1 1.670 0.02 . 2 . . . . 83 LYS HD3 . 15517 1 976 . 1 1 83 83 LYS HE2 H 1 2.930 0.02 . 2 . . . . 83 LYS HE2 . 15517 1 977 . 1 1 83 83 LYS HE3 H 1 2.930 0.02 . 1 . . . . 83 LYS HE3 . 15517 1 978 . 1 1 83 83 LYS HG2 H 1 1.540 0.02 . 2 . . . . 83 LYS HG2 . 15517 1 979 . 1 1 83 83 LYS HG3 H 1 1.390 0.02 . 2 . . . . 83 LYS HG3 . 15517 1 980 . 1 1 83 83 LYS C C 13 179.800 0.10 . 1 . . . . 83 LYS C . 15517 1 981 . 1 1 83 83 LYS CA C 13 59.700 0.05 . 1 . . . . 83 LYS CA . 15517 1 982 . 1 1 83 83 LYS CB C 13 32.300 0.05 . 1 . . . . 83 LYS CB . 15517 1 983 . 1 1 83 83 LYS CD C 13 29.200 0.05 . 1 . . . . 83 LYS CD . 15517 1 984 . 1 1 83 83 LYS CE C 13 42.400 0.05 . 1 . . . . 83 LYS CE . 15517 1 985 . 1 1 83 83 LYS CG C 13 25.400 0.05 . 1 . . . . 83 LYS CG . 15517 1 986 . 1 1 83 83 LYS N N 15 122.300 0.05 . 1 . . . . 83 LYS N . 15517 1 987 . 1 1 84 84 THR H H 1 8.000 0.02 . 1 . . . . 84 THR H . 15517 1 988 . 1 1 84 84 THR HA H 1 4.322 0.02 . 1 . . . . 84 THR HA . 15517 1 989 . 1 1 84 84 THR HB H 1 3.937 0.02 . 1 . . . . 84 THR HB . 15517 1 990 . 1 1 84 84 THR HG21 H 1 1.330 0.02 . 2 . . . . 84 THR HG2 . 15517 1 991 . 1 1 84 84 THR HG22 H 1 1.330 0.02 . 2 . . . . 84 THR HG2 . 15517 1 992 . 1 1 84 84 THR HG23 H 1 1.330 0.02 . 2 . . . . 84 THR HG2 . 15517 1 993 . 1 1 84 84 THR C C 13 176.200 0.10 . 1 . . . . 84 THR C . 15517 1 994 . 1 1 84 84 THR CA C 13 68.800 0.05 . 1 . . . . 84 THR CA . 15517 1 995 . 1 1 84 84 THR CB C 13 66.800 0.05 . 1 . . . . 84 THR CB . 15517 1 996 . 1 1 84 84 THR CG2 C 13 21.800 0.05 . 1 . . . . 84 THR CG2 . 15517 1 997 . 1 1 84 84 THR N N 15 117.200 0.05 . 1 . . . . 84 THR N . 15517 1 998 . 1 1 85 85 LEU H H 1 7.746 0.02 . 1 . . . . 85 LEU H . 15517 1 999 . 1 1 85 85 LEU HA H 1 4.017 0.02 . 1 . . . . 85 LEU HA . 15517 1 1000 . 1 1 85 85 LEU HB2 H 1 1.937 0.02 . 2 . . . . 85 LEU HB2 . 15517 1 1001 . 1 1 85 85 LEU HB3 H 1 1.558 0.02 . 2 . . . . 85 LEU HB3 . 15517 1 1002 . 1 1 85 85 LEU HD11 H 1 0.790 0.02 . 2 . . . . 85 LEU HD1 . 15517 1 1003 . 1 1 85 85 LEU HD12 H 1 0.790 0.02 . 2 . . . . 85 LEU HD1 . 15517 1 1004 . 1 1 85 85 LEU HD13 H 1 0.790 0.02 . 2 . . . . 85 LEU HD1 . 15517 1 1005 . 1 1 85 85 LEU HD21 H 1 0.830 0.02 . 2 . . . . 85 LEU HD2 . 15517 1 1006 . 1 1 85 85 LEU HD22 H 1 0.830 0.02 . 2 . . . . 85 LEU HD2 . 15517 1 1007 . 1 1 85 85 LEU HD23 H 1 0.830 0.02 . 2 . . . . 85 LEU HD2 . 15517 1 1008 . 1 1 85 85 LEU HG H 1 1.570 0.02 . 1 . . . . 85 LEU HG . 15517 1 1009 . 1 1 85 85 LEU C C 13 177.800 0.10 . 1 . . . . 85 LEU C . 15517 1 1010 . 1 1 85 85 LEU CA C 13 57.700 0.05 . 1 . . . . 85 LEU CA . 15517 1 1011 . 1 1 85 85 LEU CB C 13 41.800 0.05 . 1 . . . . 85 LEU CB . 15517 1 1012 . 1 1 85 85 LEU CD1 C 13 24.300 0.05 . 1 . . . . 85 LEU CD1 . 15517 1 1013 . 1 1 85 85 LEU CD2 C 13 26.800 0.05 . 1 . . . . 85 LEU CD2 . 15517 1 1014 . 1 1 85 85 LEU CG C 13 27.000 0.05 . 1 . . . . 85 LEU CG . 15517 1 1015 . 1 1 85 85 LEU N N 15 124.100 0.05 . 1 . . . . 85 LEU N . 15517 1 1016 . 1 1 86 86 MET H H 1 8.695 0.02 . 1 . . . . 86 MET H . 15517 1 1017 . 1 1 86 86 MET HA H 1 4.200 0.02 . 1 . . . . 86 MET HA . 15517 1 1018 . 1 1 86 86 MET HB2 H 1 2.140 0.02 . 2 . . . . 86 MET HB2 . 15517 1 1019 . 1 1 86 86 MET HB3 H 1 1.900 0.02 . 2 . . . . 86 MET HB3 . 15517 1 1020 . 1 1 86 86 MET HG2 H 1 2.510 0.02 . 2 . . . . 86 MET HG2 . 15517 1 1021 . 1 1 86 86 MET HG3 H 1 2.590 0.02 . 2 . . . . 86 MET HG3 . 15517 1 1022 . 1 1 86 86 MET C C 13 177.700 0.10 . 1 . . . . 86 MET C . 15517 1 1023 . 1 1 86 86 MET CA C 13 57.300 0.05 . 1 . . . . 86 MET CA . 15517 1 1024 . 1 1 86 86 MET CB C 13 31.200 0.05 . 1 . . . . 86 MET CB . 15517 1 1025 . 1 1 86 86 MET CG C 13 45.500 0.05 . 1 . . . . 86 MET CG . 15517 1 1026 . 1 1 86 86 MET N N 15 119.100 0.05 . 1 . . . . 86 MET N . 15517 1 1027 . 1 1 87 87 ALA H H 1 7.991 0.02 . 1 . . . . 87 ALA H . 15517 1 1028 . 1 1 87 87 ALA HA H 1 4.230 0.02 . 1 . . . . 87 ALA HA . 15517 1 1029 . 1 1 87 87 ALA HB1 H 1 1.943 0.02 . 2 . . . . 87 ALA HB . 15517 1 1030 . 1 1 87 87 ALA HB2 H 1 1.943 0.02 . 2 . . . . 87 ALA HB . 15517 1 1031 . 1 1 87 87 ALA HB3 H 1 1.943 0.02 . 2 . . . . 87 ALA HB . 15517 1 1032 . 1 1 87 87 ALA C C 13 179.800 0.10 . 1 . . . . 87 ALA C . 15517 1 1033 . 1 1 87 87 ALA CA C 13 55.000 0.05 . 1 . . . . 87 ALA CA . 15517 1 1034 . 1 1 87 87 ALA CB C 13 17.000 0.05 . 1 . . . . 87 ALA CB . 15517 1 1035 . 1 1 87 87 ALA N N 15 118.900 0.05 . 1 . . . . 87 ALA N . 15517 1 1036 . 1 1 88 88 ALA H H 1 7.370 0.02 . 1 . . . . 88 ALA H . 15517 1 1037 . 1 1 88 88 ALA HA H 1 4.201 0.02 . 1 . . . . 88 ALA HA . 15517 1 1038 . 1 1 88 88 ALA HB1 H 1 1.364 0.02 . 2 . . . . 88 ALA HB . 15517 1 1039 . 1 1 88 88 ALA HB2 H 1 1.364 0.02 . 2 . . . . 88 ALA HB . 15517 1 1040 . 1 1 88 88 ALA HB3 H 1 1.364 0.02 . 2 . . . . 88 ALA HB . 15517 1 1041 . 1 1 88 88 ALA C C 13 179.100 0.10 . 1 . . . . 88 ALA C . 15517 1 1042 . 1 1 88 88 ALA CA C 13 53.700 0.05 . 1 . . . . 88 ALA CA . 15517 1 1043 . 1 1 88 88 ALA CB C 13 18.800 0.05 . 1 . . . . 88 ALA CB . 15517 1 1044 . 1 1 88 88 ALA N N 15 117.700 0.05 . 1 . . . . 88 ALA N . 15517 1 1045 . 1 1 89 89 GLY H H 1 8.149 0.02 . 1 . . . . 89 GLY H . 15517 1 1046 . 1 1 89 89 GLY HA2 H 1 4.150 0.02 . 2 . . . . 89 GLY HA2 . 15517 1 1047 . 1 1 89 89 GLY HA3 H 1 3.270 0.02 . 2 . . . . 89 GLY HA3 . 15517 1 1048 . 1 1 89 89 GLY C C 13 173.100 0.10 . 1 . . . . 89 GLY C . 15517 1 1049 . 1 1 89 89 GLY CA C 13 46.100 0.05 . 1 . . . . 89 GLY CA . 15517 1 1050 . 1 1 89 89 GLY N N 15 102.700 0.05 . 1 . . . . 89 GLY N . 15517 1 1051 . 1 1 90 90 ASP H H 1 8.519 0.02 . 1 . . . . 90 ASP H . 15517 1 1052 . 1 1 90 90 ASP HA H 1 4.763 0.02 . 1 . . . . 90 ASP HA . 15517 1 1053 . 1 1 90 90 ASP HB2 H 1 2.881 0.02 . 2 . . . . 90 ASP HB2 . 15517 1 1054 . 1 1 90 90 ASP HB3 H 1 2.471 0.02 . 2 . . . . 90 ASP HB3 . 15517 1 1055 . 1 1 90 90 ASP C C 13 177.000 0.10 . 1 . . . . 90 ASP C . 15517 1 1056 . 1 1 90 90 ASP CA C 13 53.500 0.05 . 1 . . . . 90 ASP CA . 15517 1 1057 . 1 1 90 90 ASP CB C 13 39.800 0.05 . 1 . . . . 90 ASP CB . 15517 1 1058 . 1 1 90 90 ASP N N 15 120.200 0.05 . 1 . . . . 90 ASP N . 15517 1 1059 . 1 1 91 91 LYS H H 1 8.791 0.02 . 1 . . . . 91 LYS H . 15517 1 1060 . 1 1 91 91 LYS HA H 1 4.206 0.02 . 1 . . . . 91 LYS HA . 15517 1 1061 . 1 1 91 91 LYS HB2 H 1 1.920 0.02 . 2 . . . . 91 LYS HB2 . 15517 1 1062 . 1 1 91 91 LYS HB3 H 1 1.920 0.02 . 2 . . . . 91 LYS HB3 . 15517 1 1063 . 1 1 91 91 LYS HD2 H 1 1.670 0.02 . 2 . . . . 91 LYS HD2 . 15517 1 1064 . 1 1 91 91 LYS HD3 H 1 1.670 0.02 . 2 . . . . 91 LYS HD3 . 15517 1 1065 . 1 1 91 91 LYS HE2 H 1 2.990 0.02 . 2 . . . . 91 LYS HE2 . 15517 1 1066 . 1 1 91 91 LYS HE3 H 1 2.990 0.02 . 1 . . . . 91 LYS HE3 . 15517 1 1067 . 1 1 91 91 LYS HG2 H 1 1.540 0.02 . 2 . . . . 91 LYS HG2 . 15517 1 1068 . 1 1 91 91 LYS HG3 H 1 1.540 0.02 . 2 . . . . 91 LYS HG3 . 15517 1 1069 . 1 1 91 91 LYS C C 13 178.500 0.10 . 1 . . . . 91 LYS C . 15517 1 1070 . 1 1 91 91 LYS CA C 13 57.000 0.05 . 1 . . . . 91 LYS CA . 15517 1 1071 . 1 1 91 91 LYS CB C 13 33.000 0.05 . 1 . . . . 91 LYS CB . 15517 1 1072 . 1 1 91 91 LYS CD C 13 28.800 0.05 . 1 . . . . 91 LYS CD . 15517 1 1073 . 1 1 91 91 LYS CE C 13 42.700 0.05 . 1 . . . . 91 LYS CE . 15517 1 1074 . 1 1 91 91 LYS CG C 13 24.900 0.05 . 1 . . . . 91 LYS CG . 15517 1 1075 . 1 1 91 91 LYS N N 15 127.000 0.05 . 1 . . . . 91 LYS N . 15517 1 1076 . 1 1 92 92 ASP H H 1 8.665 0.02 . 1 . . . . 92 ASP H . 15517 1 1077 . 1 1 92 92 ASP HA H 1 4.640 0.02 . 1 . . . . 92 ASP HA . 15517 1 1078 . 1 1 92 92 ASP HB2 H 1 2.700 0.02 . 2 . . . . 92 ASP HB2 . 15517 1 1079 . 1 1 92 92 ASP HB3 H 1 2.700 0.02 . 2 . . . . 92 ASP HB3 . 15517 1 1080 . 1 1 92 92 ASP C C 13 177.500 0.10 . 1 . . . . 92 ASP C . 15517 1 1081 . 1 1 92 92 ASP CA C 13 54.200 0.05 . 1 . . . . 92 ASP CA . 15517 1 1082 . 1 1 92 92 ASP CB C 13 40.080 0.05 . 1 . . . . 92 ASP CB . 15517 1 1083 . 1 1 92 92 ASP N N 15 117.700 0.05 . 1 . . . . 92 ASP N . 15517 1 1084 . 1 1 93 93 GLY H H 1 8.286 0.02 . 1 . . . . 93 GLY H . 15517 1 1085 . 1 1 93 93 GLY HA2 H 1 3.970 0.02 . 2 . . . . 93 GLY HA2 . 15517 1 1086 . 1 1 93 93 GLY HA3 H 1 3.830 0.02 . 2 . . . . 93 GLY HA3 . 15517 1 1087 . 1 1 93 93 GLY C C 13 175.500 0.10 . 1 . . . . 93 GLY C . 15517 1 1088 . 1 1 93 93 GLY CA C 13 46.900 0.05 . 1 . . . . 93 GLY CA . 15517 1 1089 . 1 1 93 93 GLY N N 15 111.000 0.05 . 1 . . . . 93 GLY N . 15517 1 1090 . 1 1 94 94 ASP H H 1 8.862 0.02 . 1 . . . . 94 ASP H . 15517 1 1091 . 1 1 94 94 ASP HA H 1 4.528 0.02 . 1 . . . . 94 ASP HA . 15517 1 1092 . 1 1 94 94 ASP HB2 H 1 2.810 0.02 . 2 . . . . 94 ASP HB2 . 15517 1 1093 . 1 1 94 94 ASP HB3 H 1 2.420 0.02 . 2 . . . . 94 ASP HB3 . 15517 1 1094 . 1 1 94 94 ASP C C 13 177.500 0.10 . 1 . . . . 94 ASP C . 15517 1 1095 . 1 1 94 94 ASP CA C 13 53.100 0.05 . 1 . . . . 94 ASP CA . 15517 1 1096 . 1 1 94 94 ASP CB C 13 40.200 0.05 . 1 . . . . 94 ASP CB . 15517 1 1097 . 1 1 94 94 ASP N N 15 120.800 0.05 . 1 . . . . 94 ASP N . 15517 1 1098 . 1 1 95 95 GLY H H 1 10.070 0.02 . 1 . . . . 95 GLY H . 15517 1 1099 . 1 1 95 95 GLY HA2 H 1 3.919 0.02 . 2 . . . . 95 GLY HA2 . 15517 1 1100 . 1 1 95 95 GLY HA3 H 1 3.569 0.02 . 2 . . . . 95 GLY HA3 . 15517 1 1101 . 1 1 95 95 GLY C C 13 173.100 0.10 . 1 . . . . 95 GLY C . 15517 1 1102 . 1 1 95 95 GLY CA C 13 46.300 0.05 . 1 . . . . 95 GLY CA . 15517 1 1103 . 1 1 95 95 GLY N N 15 112.600 0.05 . 1 . . . . 95 GLY N . 15517 1 1104 . 1 1 96 96 LYS H H 1 7.617 0.02 . 1 . . . . 96 LYS H . 15517 1 1105 . 1 1 96 96 LYS HA H 1 4.688 0.02 . 1 . . . . 96 LYS HA . 15517 1 1106 . 1 1 96 96 LYS HB2 H 1 1.620 0.02 . 2 . . . . 96 LYS HB2 . 15517 1 1107 . 1 1 96 96 LYS HB3 H 1 1.470 0.02 . 2 . . . . 96 LYS HB3 . 15517 1 1108 . 1 1 96 96 LYS HD2 H 1 0.750 0.02 . 2 . . . . 96 LYS HD2 . 15517 1 1109 . 1 1 96 96 LYS HD3 H 1 0.950 0.02 . 2 . . . . 96 LYS HD3 . 15517 1 1110 . 1 1 96 96 LYS HE2 H 1 1.860 0.02 . 2 . . . . 96 LYS HE2 . 15517 1 1111 . 1 1 96 96 LYS HE3 H 1 2.160 0.02 . 1 . . . . 96 LYS HE3 . 15517 1 1112 . 1 1 96 96 LYS HG2 H 1 0.750 0.02 . 2 . . . . 96 LYS HG2 . 15517 1 1113 . 1 1 96 96 LYS HG3 H 1 0.950 0.02 . 2 . . . . 96 LYS HG3 . 15517 1 1114 . 1 1 96 96 LYS C C 13 173.900 0.10 . 1 . . . . 96 LYS C . 15517 1 1115 . 1 1 96 96 LYS CA C 13 54.300 0.05 . 1 . . . . 96 LYS CA . 15517 1 1116 . 1 1 96 96 LYS CB C 13 35.800 0.05 . 1 . . . . 96 LYS CB . 15517 1 1117 . 1 1 96 96 LYS CD C 13 29.400 0.05 . 1 . . . . 96 LYS CD . 15517 1 1118 . 1 1 96 96 LYS CE C 13 41.600 0.05 . 1 . . . . 96 LYS CE . 15517 1 1119 . 1 1 96 96 LYS CG C 13 23.200 0.05 . 1 . . . . 96 LYS CG . 15517 1 1120 . 1 1 96 96 LYS N N 15 116.300 0.05 . 1 . . . . 96 LYS N . 15517 1 1121 . 1 1 97 97 ILE H H 1 8.453 0.02 . 1 . . . . 97 ILE H . 15517 1 1122 . 1 1 97 97 ILE HA H 1 4.682 0.02 . 1 . . . . 97 ILE HA . 15517 1 1123 . 1 1 97 97 ILE HB H 1 1.964 0.02 . 1 . . . . 97 ILE HB . 15517 1 1124 . 1 1 97 97 ILE HD11 H 1 0.863 0.02 . 2 . . . . 97 ILE HD1 . 15517 1 1125 . 1 1 97 97 ILE HD12 H 1 0.863 0.02 . 2 . . . . 97 ILE HD1 . 15517 1 1126 . 1 1 97 97 ILE HD13 H 1 0.863 0.02 . 2 . . . . 97 ILE HD1 . 15517 1 1127 . 1 1 97 97 ILE HG12 H 1 1.684 0.02 . 2 . . . . 97 ILE HG12 . 15517 1 1128 . 1 1 97 97 ILE HG13 H 1 1.684 0.02 . 2 . . . . 97 ILE HG13 . 15517 1 1129 . 1 1 97 97 ILE HG21 H 1 1.127 0.02 . 2 . . . . 97 ILE HG2 . 15517 1 1130 . 1 1 97 97 ILE HG22 H 1 1.127 0.02 . 2 . . . . 97 ILE HG2 . 15517 1 1131 . 1 1 97 97 ILE HG23 H 1 1.127 0.02 . 2 . . . . 97 ILE HG2 . 15517 1 1132 . 1 1 97 97 ILE C C 13 176.400 0.10 . 1 . . . . 97 ILE C . 15517 1 1133 . 1 1 97 97 ILE CA C 13 60.100 0.05 . 1 . . . . 97 ILE CA . 15517 1 1134 . 1 1 97 97 ILE CB C 13 40.200 0.05 . 1 . . . . 97 ILE CB . 15517 1 1135 . 1 1 97 97 ILE CD1 C 13 13.700 0.05 . 1 . . . . 97 ILE CD1 . 15517 1 1136 . 1 1 97 97 ILE CG1 C 13 27.600 0.05 . 1 . . . . 97 ILE CG1 . 15517 1 1137 . 1 1 97 97 ILE CG2 C 13 17.500 0.05 . 1 . . . . 97 ILE CG2 . 15517 1 1138 . 1 1 97 97 ILE N N 15 118.800 0.05 . 1 . . . . 97 ILE N . 15517 1 1139 . 1 1 98 98 GLY H H 1 9.502 0.02 . 1 . . . . 98 GLY H . 15517 1 1140 . 1 1 98 98 GLY HA2 H 1 4.860 0.02 . 2 . . . . 98 GLY HA2 . 15517 1 1141 . 1 1 98 98 GLY HA3 H 1 3.960 0.02 . 2 . . . . 98 GLY HA3 . 15517 1 1142 . 1 1 98 98 GLY C C 13 174.300 0.10 . 1 . . . . 98 GLY C . 15517 1 1143 . 1 1 98 98 GLY CA C 13 44.500 0.05 . 1 . . . . 98 GLY CA . 15517 1 1144 . 1 1 98 98 GLY N N 15 115.800 0.05 . 1 . . . . 98 GLY N . 15517 1 1145 . 1 1 99 99 VAL H H 1 8.040 0.02 . 1 . . . . 99 VAL H . 15517 1 1146 . 1 1 99 99 VAL HA H 1 2.204 0.02 . 1 . . . . 99 VAL HA . 15517 1 1147 . 1 1 99 99 VAL HB H 1 1.352 0.02 . 1 . . . . 99 VAL HB . 15517 1 1148 . 1 1 99 99 VAL HG11 H 1 0.739 0.02 . 2 . . . . 99 VAL HG1 . 15517 1 1149 . 1 1 99 99 VAL HG12 H 1 0.739 0.02 . 2 . . . . 99 VAL HG1 . 15517 1 1150 . 1 1 99 99 VAL HG13 H 1 0.739 0.02 . 2 . . . . 99 VAL HG1 . 15517 1 1151 . 1 1 99 99 VAL HG21 H 1 0.512 0.02 . 2 . . . . 99 VAL HG2 . 15517 1 1152 . 1 1 99 99 VAL HG22 H 1 0.512 0.02 . 2 . . . . 99 VAL HG2 . 15517 1 1153 . 1 1 99 99 VAL HG23 H 1 0.512 0.02 . 2 . . . . 99 VAL HG2 . 15517 1 1154 . 1 1 99 99 VAL C C 13 177.400 0.10 . 1 . . . . 99 VAL C . 15517 1 1155 . 1 1 99 99 VAL CA C 13 65.400 0.05 . 1 . . . . 99 VAL CA . 15517 1 1156 . 1 1 99 99 VAL CB C 13 31.000 0.05 . 1 . . . . 99 VAL CB . 15517 1 1157 . 1 1 99 99 VAL CG1 C 13 19.500 0.05 . 1 . . . . 99 VAL CG1 . 15517 1 1158 . 1 1 99 99 VAL CG2 C 13 22.000 0.05 . 1 . . . . 99 VAL CG2 . 15517 1 1159 . 1 1 99 99 VAL N N 15 120.300 0.05 . 1 . . . . 99 VAL N . 15517 1 1160 . 1 1 100 100 GLU H H 1 8.310 0.02 . 1 . . . . 100 GLU H . 15517 1 1161 . 1 1 100 100 GLU HA H 1 4.109 0.02 . 1 . . . . 100 GLU HA . 15517 1 1162 . 1 1 100 100 GLU HB2 H 1 1.990 0.02 . 2 . . . . 100 GLU HB2 . 15517 1 1163 . 1 1 100 100 GLU HB3 H 1 1.990 0.02 . 2 . . . . 100 GLU HB3 . 15517 1 1164 . 1 1 100 100 GLU HG2 H 1 2.270 0.02 . 2 . . . . 100 GLU HG2 . 15517 1 1165 . 1 1 100 100 GLU HG3 H 1 2.270 0.02 . 2 . . . . 100 GLU HG3 . 15517 1 1166 . 1 1 100 100 GLU C C 13 180.0 0.10 . 1 . . . . 100 GLU C . 15517 1 1167 . 1 1 100 100 GLU CA C 13 59.200 0.05 . 1 . . . . 100 GLU CA . 15517 1 1168 . 1 1 100 100 GLU CB C 13 28.200 0.05 . 1 . . . . 100 GLU CB . 15517 1 1169 . 1 1 100 100 GLU CG C 13 36.200 0.05 . 1 . . . . 100 GLU CG . 15517 1 1170 . 1 1 100 100 GLU N N 15 122.500 0.05 . 1 . . . . 100 GLU N . 15517 1 1171 . 1 1 101 101 GLU H H 1 7.910 0.02 . 1 . . . . 101 GLU H . 15517 1 1172 . 1 1 101 101 GLU HA H 1 4.041 0.02 . 1 . . . . 101 GLU HA . 15517 1 1173 . 1 1 101 101 GLU HB2 H 1 2.550 0.02 . 2 . . . . 101 GLU HB2 . 15517 1 1174 . 1 1 101 101 GLU HB3 H 1 2.440 0.02 . 2 . . . . 101 GLU HB3 . 15517 1 1175 . 1 1 101 101 GLU HG2 H 1 2.430 0.02 . 2 . . . . 101 GLU HG2 . 15517 1 1176 . 1 1 101 101 GLU HG3 H 1 2.550 0.02 . 2 . . . . 101 GLU HG3 . 15517 1 1177 . 1 1 101 101 GLU C C 13 179.600 0.10 . 1 . . . . 101 GLU C . 15517 1 1178 . 1 1 101 101 GLU CA C 13 59.300 0.05 . 1 . . . . 101 GLU CA . 15517 1 1179 . 1 1 101 101 GLU CB C 13 30.100 0.05 . 1 . . . . 101 GLU CB . 15517 1 1180 . 1 1 101 101 GLU CG C 13 38.800 0.05 . 1 . . . . 101 GLU CG . 15517 1 1181 . 1 1 101 101 GLU N N 15 121.500 0.05 . 1 . . . . 101 GLU N . 15517 1 1182 . 1 1 102 102 PHE H H 1 8.938 0.02 . 1 . . . . 102 PHE H . 15517 1 1183 . 1 1 102 102 PHE HA H 1 3.950 0.02 . 1 . . . . 102 PHE HA . 15517 1 1184 . 1 1 102 102 PHE HB2 H 1 3.035 0.02 . 2 . . . . 102 PHE HB2 . 15517 1 1185 . 1 1 102 102 PHE HB3 H 1 3.035 0.02 . 2 . . . . 102 PHE HB3 . 15517 1 1186 . 1 1 102 102 PHE HD1 H 1 7.030 0.02 . 2 . . . . 102 PHE HD1 . 15517 1 1187 . 1 1 102 102 PHE HD2 H 1 7.030 0.02 . 2 . . . . 102 PHE HD2 . 15517 1 1188 . 1 1 102 102 PHE HE1 H 1 7.150 0.02 . 3 . . . . 102 PHE HE1 . 15517 1 1189 . 1 1 102 102 PHE HE2 H 1 7.150 0.02 . 3 . . . . 102 PHE HE2 . 15517 1 1190 . 1 1 102 102 PHE C C 13 175.900 0.10 . 1 . . . . 102 PHE C . 15517 1 1191 . 1 1 102 102 PHE CA C 13 62.000 0.05 . 1 . . . . 102 PHE CA . 15517 1 1192 . 1 1 102 102 PHE CB C 13 40.260 0.05 . 1 . . . . 102 PHE CB . 15517 1 1193 . 1 1 102 102 PHE N N 15 122.136 0.05 . 1 . . . . 102 PHE N . 15517 1 1194 . 1 1 103 103 SER H H 1 8.216 0.02 . 1 . . . . 103 SER H . 15517 1 1195 . 1 1 103 103 SER HA H 1 3.855 0.02 . 1 . . . . 103 SER HA . 15517 1 1196 . 1 1 103 103 SER HB2 H 1 4.780 0.02 . 2 . . . . 103 SER HB2 . 15517 1 1197 . 1 1 103 103 SER HB3 H 1 4.780 0.02 . 2 . . . . 103 SER HB3 . 15517 1 1198 . 1 1 103 103 SER C C 13 176.000 0.10 . 1 . . . . 103 SER C . 15517 1 1199 . 1 1 103 103 SER CA C 13 62.400 0.05 . 1 . . . . 103 SER CA . 15517 1 1200 . 1 1 103 103 SER N N 15 114.190 0.05 . 1 . . . . 103 SER N . 15517 1 1201 . 1 1 104 104 THR H H 1 8.181 0.02 . 1 . . . . 104 THR H . 15517 1 1202 . 1 1 104 104 THR HA H 1 3.887 0.02 . 1 . . . . 104 THR HA . 15517 1 1203 . 1 1 104 104 THR HB H 1 4.185 0.02 . 1 . . . . 104 THR HB . 15517 1 1204 . 1 1 104 104 THR HG21 H 1 1.183 0.02 . 2 . . . . 104 THR HG2 . 15517 1 1205 . 1 1 104 104 THR HG22 H 1 1.183 0.02 . 2 . . . . 104 THR HG2 . 15517 1 1206 . 1 1 104 104 THR HG23 H 1 1.183 0.02 . 2 . . . . 104 THR HG2 . 15517 1 1207 . 1 1 104 104 THR C C 13 176.500 0.10 . 1 . . . . 104 THR C . 15517 1 1208 . 1 1 104 104 THR CA C 13 66.700 0.05 . 1 . . . . 104 THR CA . 15517 1 1209 . 1 1 104 104 THR CB C 13 68.600 0.05 . 1 . . . . 104 THR CB . 15517 1 1210 . 1 1 104 104 THR CG2 C 13 21.900 0.05 . 1 . . . . 104 THR CG2 . 15517 1 1211 . 1 1 104 104 THR N N 15 120.300 0.05 . 1 . . . . 104 THR N . 15517 1 1212 . 1 1 105 105 LEU H H 1 7.937 0.02 . 1 . . . . 105 LEU H . 15517 1 1213 . 1 1 105 105 LEU HA H 1 4.070 0.02 . 1 . . . . 105 LEU HA . 15517 1 1214 . 1 1 105 105 LEU HB2 H 1 1.720 0.02 . 2 . . . . 105 LEU HB2 . 15517 1 1215 . 1 1 105 105 LEU HB3 H 1 1.720 0.02 . 2 . . . . 105 LEU HB3 . 15517 1 1216 . 1 1 105 105 LEU HD11 H 1 0.604 0.02 . 2 . . . . 105 LEU HD1 . 15517 1 1217 . 1 1 105 105 LEU HD12 H 1 0.604 0.02 . 2 . . . . 105 LEU HD1 . 15517 1 1218 . 1 1 105 105 LEU HD13 H 1 0.604 0.02 . 2 . . . . 105 LEU HD1 . 15517 1 1219 . 1 1 105 105 LEU HD21 H 1 0.632 0.02 . 2 . . . . 105 LEU HD2 . 15517 1 1220 . 1 1 105 105 LEU HD22 H 1 0.632 0.02 . 2 . . . . 105 LEU HD2 . 15517 1 1221 . 1 1 105 105 LEU HD23 H 1 0.632 0.02 . 2 . . . . 105 LEU HD2 . 15517 1 1222 . 1 1 105 105 LEU HG H 1 1.534 0.02 . 1 . . . . 105 LEU HG . 15517 1 1223 . 1 1 105 105 LEU C C 13 179.400 0.10 . 1 . . . . 105 LEU C . 15517 1 1224 . 1 1 105 105 LEU CA C 13 57.500 0.05 . 1 . . . . 105 LEU CA . 15517 1 1225 . 1 1 105 105 LEU CB C 13 42.500 0.05 . 1 . . . . 105 LEU CB . 15517 1 1226 . 1 1 105 105 LEU CD1 C 13 24.000 0.05 . 1 . . . . 105 LEU CD1 . 15517 1 1227 . 1 1 105 105 LEU CD2 C 13 24.800 0.05 . 1 . . . . 105 LEU CD2 . 15517 1 1228 . 1 1 105 105 LEU CG C 13 26.600 0.05 . 1 . . . . 105 LEU CG . 15517 1 1229 . 1 1 105 105 LEU N N 15 122.600 0.05 . 1 . . . . 105 LEU N . 15517 1 1230 . 1 1 106 106 VAL H H 1 7.538 0.02 . 1 . . . . 106 VAL H . 15517 1 1231 . 1 1 106 106 VAL HA H 1 3.050 0.02 . 1 . . . . 106 VAL HA . 15517 1 1232 . 1 1 106 106 VAL HB H 1 1.663 0.02 . 1 . . . . 106 VAL HB . 15517 1 1233 . 1 1 106 106 VAL HG11 H 1 0.435 0.02 . 2 . . . . 106 VAL HG1 . 15517 1 1234 . 1 1 106 106 VAL HG12 H 1 0.435 0.02 . 2 . . . . 106 VAL HG1 . 15517 1 1235 . 1 1 106 106 VAL HG13 H 1 0.435 0.02 . 2 . . . . 106 VAL HG1 . 15517 1 1236 . 1 1 106 106 VAL HG21 H 1 -0.350 0.02 . 2 . . . . 106 VAL HG2 . 15517 1 1237 . 1 1 106 106 VAL HG22 H 1 -0.350 0.02 . 2 . . . . 106 VAL HG2 . 15517 1 1238 . 1 1 106 106 VAL HG23 H 1 -0.350 0.02 . 2 . . . . 106 VAL HG2 . 15517 1 1239 . 1 1 106 106 VAL C C 13 177.800 0.10 . 1 . . . . 106 VAL C . 15517 1 1240 . 1 1 106 106 VAL CA C 13 66.200 0.05 . 1 . . . . 106 VAL CA . 15517 1 1241 . 1 1 106 106 VAL CB C 13 31.500 0.05 . 1 . . . . 106 VAL CB . 15517 1 1242 . 1 1 106 106 VAL CG1 C 13 21.900 0.05 . 1 . . . . 106 VAL CG1 . 15517 1 1243 . 1 1 106 106 VAL CG2 C 13 21.900 0.05 . 1 . . . . 106 VAL CG2 . 15517 1 1244 . 1 1 106 106 VAL N N 15 117.400 0.05 . 1 . . . . 106 VAL N . 15517 1 1245 . 1 1 107 107 ALA H H 1 7.920 0.02 . 1 . . . . 107 ALA H . 15517 1 1246 . 1 1 107 107 ALA HA H 1 4.120 0.02 . 1 . . . . 107 ALA HA . 15517 1 1247 . 1 1 107 107 ALA HB1 H 1 1.496 0.02 . 2 . . . . 107 ALA HB . 15517 1 1248 . 1 1 107 107 ALA HB2 H 1 1.496 0.02 . 2 . . . . 107 ALA HB . 15517 1 1249 . 1 1 107 107 ALA HB3 H 1 1.496 0.02 . 2 . . . . 107 ALA HB . 15517 1 1250 . 1 1 107 107 ALA C C 13 179.600 0.10 . 1 . . . . 107 ALA C . 15517 1 1251 . 1 1 107 107 ALA CA C 13 54.600 0.05 . 1 . . . . 107 ALA CA . 15517 1 1252 . 1 1 107 107 ALA CB C 13 18.700 0.05 . 1 . . . . 107 ALA CB . 15517 1 1253 . 1 1 107 107 ALA N N 15 121.300 0.05 . 1 . . . . 107 ALA N . 15517 1 1254 . 1 1 108 108 GLU H H 1 7.967 0.02 . 1 . . . . 108 GLU H . 15517 1 1255 . 1 1 108 108 GLU HA H 1 4.250 0.02 . 1 . . . . 108 GLU HA . 15517 1 1256 . 1 1 108 108 GLU HB2 H 1 2.167 0.02 . 2 . . . . 108 GLU HB2 . 15517 1 1257 . 1 1 108 108 GLU HB3 H 1 2.056 0.02 . 2 . . . . 108 GLU HB3 . 15517 1 1258 . 1 1 108 108 GLU HG2 H 1 2.330 0.02 . 2 . . . . 108 GLU HG2 . 15517 1 1259 . 1 1 108 108 GLU HG3 H 1 2.540 0.02 . 2 . . . . 108 GLU HG3 . 15517 1 1260 . 1 1 108 108 GLU C C 13 176.700 0.10 . 1 . . . . 108 GLU C . 15517 1 1261 . 1 1 108 108 GLU CA C 13 56.700 0.05 . 1 . . . . 108 GLU CA . 15517 1 1262 . 1 1 108 108 GLU CB C 13 29.400 0.05 . 1 . . . . 108 GLU CB . 15517 1 1263 . 1 1 108 108 GLU CG C 13 36.600 0.05 . 1 . . . . 108 GLU CG . 15517 1 1264 . 1 1 108 108 GLU N N 15 115.400 0.05 . 1 . . . . 108 GLU N . 15517 1 1265 . 1 1 109 109 SER H H 1 7.607 0.02 . 1 . . . . 109 SER H . 15517 1 1266 . 1 1 109 109 SER HA H 1 4.154 0.02 . 1 . . . . 109 SER HA . 15517 1 1267 . 1 1 109 109 SER HB2 H 1 4.140 0.02 . 2 . . . . 109 SER HB2 . 15517 1 1268 . 1 1 109 109 SER HB3 H 1 4.220 0.02 . 2 . . . . 109 SER HB3 . 15517 1 1269 . 1 1 109 109 SER C C 13 178.300 0.10 . 1 . . . . 109 SER C . 15517 1 1270 . 1 1 109 109 SER CA C 13 62.300 0.05 . 1 . . . . 109 SER CA . 15517 1 1271 . 1 1 109 109 SER CB C 13 64.400 0.05 . 1 . . . . 109 SER CB . 15517 1 1272 . 1 1 109 109 SER N N 15 122.700 0.05 . 1 . . . . 109 SER N . 15517 1 stop_ save_