data_17033 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17033 _Entry.Title ; Solution NMR Structure of Nonsense mRNA reducing factor 3A from H. Sapiens, Northeast Structural Genomics Consortium Target HR4714B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-30 _Entry.Accession_date 2010-06-30 _Entry.Last_release_date 2010-07-09 _Entry.Original_release_date 2010-07-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'HR4714B is a 97 residue protein consisiting of a 10 residue N-terminal tag. N-HSQC spectrum shows only 71 peaks out of the 87 peaks (excluding tag) that are expected. The line broeadening of the peaks occur from residue D45 to S54. Also, M11, R16, S81 NH's are missing from N-HSQC spectrum. The reason for line broadening is not known.' _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 Rajeswari Mani . . . 17033 2 Lei Mao . . . 17033 3 Colleen Ciccosanti . . . 17033 4 Ritu Shastry . . . 17033 5 Thomas Acton . B. . 17033 6 Rong Xiao . . . 17033 7 G.V.T Swapna . . . 17033 8 John Everett . K. . 17033 9 Gaetano Montelione . B. . 17033 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 17033 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HR4714B . 17033 'H. Sapiens' . 17033 NESG . 17033 NMR . 17033 'Nonsense regulator' . 17033 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17033 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 288 17033 '15N chemical shifts' 75 17033 '1H chemical shifts' 552 17033 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 . . 2010-07-09 2010-06-30 original author . 17033 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L08 'BMRB Entry Tracking System' 17033 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17033 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'olution NMR Structure of Nonsense mRNA reducing factor 3A from H. Sapiens, Northeast Structural Genomics Consortium Target HR4714B' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rajeswari Mani . . . 17033 1 2 Lei Mao . . . 17033 1 3 Colleen Ciccosanti . . . 17033 1 4 Ritu Shastry . . . 17033 1 5 Thomas Acton . B. . 17033 1 6 Rong Xiao . . . 17033 1 7 G.V.T Swapna . . . 17033 1 8 John Everett . . . 17033 1 9 Gaetano Montelione . . . 17033 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17033 _Assembly.ID 1 _Assembly.Name 'Nonsense mRNA reducing factor' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Nonsense mRNA reducing factor' 1 $HR4714B A . yes native no no . . . 17033 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR4714B _Entity.Sf_category entity _Entity.Sf_framecode HR4714B _Entity.Entry_ID 17033 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHSHMVVIRRLPPG LTKEQLEEQLRPLPAHDYFE FFAADLSLYPHLYSRAYINF RNPDDILLFRDRFDGYIFLD SKGLEYPAVVEFAPFQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 11-97 _Entity.Polymer_author_seq_details 'First 10 residue, MGHHHHHHSH is a N-terminal tag.' _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11596.293 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L08 . "Solution Nmr Structure Of Nonsense Mrna Reducing Factor 3a From H. Sapiens, Northeast Structural Genomics Consortium Target Hr4" . . . . . 100.00 97 100.00 100.00 1.47e-62 . . . . 17033 1 2 no DBJ BAE02295 . "unnamed protein product [Macaca fascicularis]" . . . . . 88.66 459 100.00 100.00 3.01e-53 . . . . 17033 1 3 no DBJ BAG57751 . "unnamed protein product [Homo sapiens]" . . . . . 74.23 146 100.00 100.00 1.04e-43 . . . . 17033 1 4 no GB AAG48510 . "hUPF3A [Homo sapiens]" . . . . . 88.66 476 100.00 100.00 9.73e-53 . . . . 17033 1 5 no GB AAG60690 . "UPF3 [Homo sapiens]" . . . . . 88.66 452 100.00 100.00 2.29e-52 . . . . 17033 1 6 no GB EAX09248 . "UPF3 regulator of nonsense transcripts homolog A (yeast), isoform CRA_b [Homo sapiens]" . . . . . 88.66 476 100.00 100.00 9.73e-53 . . . . 17033 1 7 no GB EAX09249 . "UPF3 regulator of nonsense transcripts homolog A (yeast), isoform CRA_c [Homo sapiens]" . . . . . 88.66 250 100.00 100.00 5.68e-55 . . . . 17033 1 8 no GB EAX09250 . "UPF3 regulator of nonsense transcripts homolog A (yeast), isoform CRA_c [Homo sapiens]" . . . . . 88.66 250 100.00 100.00 5.68e-55 . . . . 17033 1 9 no REF NP_001272234 . "uncharacterized protein LOC101866227 [Macaca fascicularis]" . . . . . 88.66 459 100.00 100.00 3.01e-53 . . . . 17033 1 10 no REF NP_075387 . "regulator of nonsense transcripts 3A isoform hUpf3p [Homo sapiens]" . . . . . 88.66 476 100.00 100.00 9.73e-53 . . . . 17033 1 11 no REF XP_002742608 . "PREDICTED: regulator of nonsense transcripts 3A [Callithrix jacchus]" . . . . . 88.66 472 97.67 98.84 1.59e-51 . . . . 17033 1 12 no REF XP_002824527 . "PREDICTED: regulator of nonsense transcripts 3A isoform X1 [Pongo abelii]" . . . . . 88.66 476 98.84 100.00 5.00e-52 . . . . 17033 1 13 no REF XP_003281173 . "PREDICTED: regulator of nonsense transcripts 3A isoform X1 [Nomascus leucogenys]" . . . . . 88.66 477 98.84 98.84 8.50e-52 . . . . 17033 1 14 no SP Q9H1J1 . "RecName: Full=Regulator of nonsense transcripts 3A; AltName: Full=Nonsense mRNA reducing factor 3A; AltName: Full=Up-frameshift" . . . . . 88.66 476 100.00 100.00 9.73e-53 . . . . 17033 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17033 1 2 . GLY . 17033 1 3 . HIS . 17033 1 4 . HIS . 17033 1 5 . HIS . 17033 1 6 . HIS . 17033 1 7 . HIS . 17033 1 8 . HIS . 17033 1 9 . SER . 17033 1 10 . HIS . 17033 1 11 . MET . 17033 1 12 . VAL . 17033 1 13 . VAL . 17033 1 14 . ILE . 17033 1 15 . ARG . 17033 1 16 . ARG . 17033 1 17 . LEU . 17033 1 18 . PRO . 17033 1 19 . PRO . 17033 1 20 . GLY . 17033 1 21 . LEU . 17033 1 22 . THR . 17033 1 23 . LYS . 17033 1 24 . GLU . 17033 1 25 . GLN . 17033 1 26 . LEU . 17033 1 27 . GLU . 17033 1 28 . GLU . 17033 1 29 . GLN . 17033 1 30 . LEU . 17033 1 31 . ARG . 17033 1 32 . PRO . 17033 1 33 . LEU . 17033 1 34 . PRO . 17033 1 35 . ALA . 17033 1 36 . HIS . 17033 1 37 . ASP . 17033 1 38 . TYR . 17033 1 39 . PHE . 17033 1 40 . GLU . 17033 1 41 . PHE . 17033 1 42 . PHE . 17033 1 43 . ALA . 17033 1 44 . ALA . 17033 1 45 . ASP . 17033 1 46 . LEU . 17033 1 47 . SER . 17033 1 48 . LEU . 17033 1 49 . TYR . 17033 1 50 . PRO . 17033 1 51 . HIS . 17033 1 52 . LEU . 17033 1 53 . TYR . 17033 1 54 . SER . 17033 1 55 . ARG . 17033 1 56 . ALA . 17033 1 57 . TYR . 17033 1 58 . ILE . 17033 1 59 . ASN . 17033 1 60 . PHE . 17033 1 61 . ARG . 17033 1 62 . ASN . 17033 1 63 . PRO . 17033 1 64 . ASP . 17033 1 65 . ASP . 17033 1 66 . ILE . 17033 1 67 . LEU . 17033 1 68 . LEU . 17033 1 69 . PHE . 17033 1 70 . ARG . 17033 1 71 . ASP . 17033 1 72 . ARG . 17033 1 73 . PHE . 17033 1 74 . ASP . 17033 1 75 . GLY . 17033 1 76 . TYR . 17033 1 77 . ILE . 17033 1 78 . PHE . 17033 1 79 . LEU . 17033 1 80 . ASP . 17033 1 81 . SER . 17033 1 82 . LYS . 17033 1 83 . GLY . 17033 1 84 . LEU . 17033 1 85 . GLU . 17033 1 86 . TYR . 17033 1 87 . PRO . 17033 1 88 . ALA . 17033 1 89 . VAL . 17033 1 90 . VAL . 17033 1 91 . GLU . 17033 1 92 . PHE . 17033 1 93 . ALA . 17033 1 94 . PRO . 17033 1 95 . PHE . 17033 1 96 . GLN . 17033 1 97 . LYS . 17033 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17033 1 . GLY 2 2 17033 1 . HIS 3 3 17033 1 . HIS 4 4 17033 1 . HIS 5 5 17033 1 . HIS 6 6 17033 1 . HIS 7 7 17033 1 . HIS 8 8 17033 1 . SER 9 9 17033 1 . HIS 10 10 17033 1 . MET 11 11 17033 1 . VAL 12 12 17033 1 . VAL 13 13 17033 1 . ILE 14 14 17033 1 . ARG 15 15 17033 1 . ARG 16 16 17033 1 . LEU 17 17 17033 1 . PRO 18 18 17033 1 . PRO 19 19 17033 1 . GLY 20 20 17033 1 . LEU 21 21 17033 1 . THR 22 22 17033 1 . LYS 23 23 17033 1 . GLU 24 24 17033 1 . GLN 25 25 17033 1 . LEU 26 26 17033 1 . GLU 27 27 17033 1 . GLU 28 28 17033 1 . GLN 29 29 17033 1 . LEU 30 30 17033 1 . ARG 31 31 17033 1 . PRO 32 32 17033 1 . LEU 33 33 17033 1 . PRO 34 34 17033 1 . ALA 35 35 17033 1 . HIS 36 36 17033 1 . ASP 37 37 17033 1 . TYR 38 38 17033 1 . PHE 39 39 17033 1 . GLU 40 40 17033 1 . PHE 41 41 17033 1 . PHE 42 42 17033 1 . ALA 43 43 17033 1 . ALA 44 44 17033 1 . ASP 45 45 17033 1 . LEU 46 46 17033 1 . SER 47 47 17033 1 . LEU 48 48 17033 1 . TYR 49 49 17033 1 . PRO 50 50 17033 1 . HIS 51 51 17033 1 . LEU 52 52 17033 1 . TYR 53 53 17033 1 . SER 54 54 17033 1 . ARG 55 55 17033 1 . ALA 56 56 17033 1 . TYR 57 57 17033 1 . ILE 58 58 17033 1 . ASN 59 59 17033 1 . PHE 60 60 17033 1 . ARG 61 61 17033 1 . ASN 62 62 17033 1 . PRO 63 63 17033 1 . ASP 64 64 17033 1 . ASP 65 65 17033 1 . ILE 66 66 17033 1 . LEU 67 67 17033 1 . LEU 68 68 17033 1 . PHE 69 69 17033 1 . ARG 70 70 17033 1 . ASP 71 71 17033 1 . ARG 72 72 17033 1 . PHE 73 73 17033 1 . ASP 74 74 17033 1 . GLY 75 75 17033 1 . TYR 76 76 17033 1 . ILE 77 77 17033 1 . PHE 78 78 17033 1 . LEU 79 79 17033 1 . ASP 80 80 17033 1 . SER 81 81 17033 1 . LYS 82 82 17033 1 . GLY 83 83 17033 1 . LEU 84 84 17033 1 . GLU 85 85 17033 1 . TYR 86 86 17033 1 . PRO 87 87 17033 1 . ALA 88 88 17033 1 . VAL 89 89 17033 1 . VAL 90 90 17033 1 . GLU 91 91 17033 1 . PHE 92 92 17033 1 . ALA 93 93 17033 1 . PRO 94 94 17033 1 . PHE 95 95 17033 1 . GLN 96 96 17033 1 . LYS 97 97 17033 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 17033 _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 $HR4714B . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17033 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 17033 _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 $HR4714B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3)+ magic' . . . . . . . . . . . . vector . . 'peT 15-15C' . . . . . . 17033 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17033 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5' _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 HR4714B '[U-100% 13C; U-100% 15N]' . . 1 $HR4714B . . 0.82 . . mM . . . . 17033 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17033 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17033 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 17033 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17033 1 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 17033 1 7 Tris-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 17033 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17033 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5' _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 HR4714B '[U-10% 13C; U-99% 15N]' . . 1 $HR4714B . . 0.9 . . mM . . . . 17033 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17033 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17033 2 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 17033 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17033 2 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 17033 2 7 Tris-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 17033 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 17033 _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' 110 . mM 17033 1 pH 7.5 . pH 17033 1 pressure 1 . atm 17033 1 temperature 298 . K 17033 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17033 _Software.ID 1 _Software.Name CNS _Software.Version 2.0.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17033 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17033 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17033 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17033 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17033 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 17033 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 17033 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17033 3 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 17033 _Software.ID 4 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 17033 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17033 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17033 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17033 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17033 _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 Bruker Avance . 800 . . . 17033 1 2 spectrometer_2 Varian INOVA . 600 . . . 17033 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 17033 _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' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17033 1 2 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17033 1 3 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17033 1 4 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17033 1 5 '2D 1H-13C HSQC' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17033 1 6 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17033 1 7 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17033 1 8 '3D HNCA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17033 1 9 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17033 1 10 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17033 1 11 '3D C(CO)NH-TOCSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17033 1 12 '3D CCH-TOCSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17033 1 13 '3D HNHA' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17033 1 14 '3D simul NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17033 1 15 '3D arom NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17033 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 17033 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Internal DSS was used to reference the proton spectrum' 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 0.0 external indirect 0.251449530 . . . . . . . . . 17033 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000 . . . . . . . . . 17033 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 17033 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 17033 _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' . . . 17033 1 3 '2D 1H-13C HSQC' . . . 17033 1 5 '2D 1H-13C HSQC' . . . 17033 1 6 '3D CBCA(CO)NH' . . . 17033 1 7 '3D HNCO' . . . 17033 1 8 '3D HNCA' . . . 17033 1 9 '3D HNCACB' . . . 17033 1 10 '3D HBHA(CO)NH' . . . 17033 1 11 '3D C(CO)NH-TOCSY' . . . 17033 1 12 '3D CCH-TOCSY' . . . 17033 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $PINE . . 17033 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 9 9 SER HA H 1 4.310 0.06 . 1 . . . . 9 Ser HA . 17033 1 2 . 1 1 9 9 SER HB2 H 1 3.670 0.06 . 1 . . . . 9 Ser HB2 . 17033 1 3 . 1 1 9 9 SER CA C 13 59.224 0.55 . 1 . . . . 9 Ser CA . 17033 1 4 . 1 1 9 9 SER CB C 13 63.884 0.55 . 1 . . . . 9 Ser CB . 17033 1 5 . 1 1 10 10 HIS H H 1 8.770 0.06 . 1 . . . . 10 His H . 17033 1 6 . 1 1 10 10 HIS HA H 1 4.995 0.06 . 1 . . . . 10 His HA . 17033 1 7 . 1 1 10 10 HIS HB2 H 1 3.228 0.06 . 2 . . . . 10 His HB2 . 17033 1 8 . 1 1 10 10 HIS HB3 H 1 3.228 0.06 . 2 . . . . 10 His HB3 . 17033 1 9 . 1 1 10 10 HIS CA C 13 54.495 0.55 . 1 . . . . 10 His CA . 17033 1 10 . 1 1 10 10 HIS CB C 13 30.327 0.55 . 1 . . . . 10 His CB . 17033 1 11 . 1 1 10 10 HIS N N 15 123.239 0.55 . 1 . . . . 10 His N . 17033 1 12 . 1 1 11 11 MET H H 1 7.861 0.06 . 1 . . . . 11 Met H . 17033 1 13 . 1 1 11 11 MET CA C 13 55.79 0.55 . 1 . . . . 11 Met CA . 17033 1 14 . 1 1 11 11 MET N N 15 120.394 0.55 . 1 . . . . 11 Met N . 17033 1 15 . 1 1 12 12 VAL HA H 1 4.904 0.06 . 1 . . . . 12 Val HA . 17033 1 16 . 1 1 12 12 VAL HB H 1 2.109 0.06 . 1 . . . . 12 Val HB . 17033 1 17 . 1 1 12 12 VAL HG11 H 1 0.911 0.06 . 2 . . . . 12 Val HG1 . 17033 1 18 . 1 1 12 12 VAL HG12 H 1 0.911 0.06 . 2 . . . . 12 Val HG1 . 17033 1 19 . 1 1 12 12 VAL HG13 H 1 0.911 0.06 . 2 . . . . 12 Val HG1 . 17033 1 20 . 1 1 12 12 VAL HG21 H 1 0.975 0.06 . 2 . . . . 12 Val HG2 . 17033 1 21 . 1 1 12 12 VAL HG22 H 1 0.975 0.06 . 2 . . . . 12 Val HG2 . 17033 1 22 . 1 1 12 12 VAL HG23 H 1 0.975 0.06 . 2 . . . . 12 Val HG2 . 17033 1 23 . 1 1 12 12 VAL CA C 13 60.411 0.55 . 1 . . . . 12 Val CA . 17033 1 24 . 1 1 12 12 VAL CB C 13 34.556 0.55 . 1 . . . . 12 Val CB . 17033 1 25 . 1 1 12 12 VAL CG1 C 13 22.58 0.55 . 2 . . . . 12 Val CG1 . 17033 1 26 . 1 1 12 12 VAL CG2 C 13 22.37 0.55 . 2 . . . . 12 Val CG2 . 17033 1 27 . 1 1 13 13 VAL H H 1 9.026 0.06 . 1 . . . . 13 Val H . 17033 1 28 . 1 1 13 13 VAL HA H 1 5.06 0.06 . 1 . . . . 13 Val HA . 17033 1 29 . 1 1 13 13 VAL HB H 1 1.769 0.06 . 1 . . . . 13 Val HB . 17033 1 30 . 1 1 13 13 VAL HG11 H 1 0.48 0.06 . 2 . . . . 13 Val HG1 . 17033 1 31 . 1 1 13 13 VAL HG12 H 1 0.48 0.06 . 2 . . . . 13 Val HG1 . 17033 1 32 . 1 1 13 13 VAL HG13 H 1 0.48 0.06 . 2 . . . . 13 Val HG1 . 17033 1 33 . 1 1 13 13 VAL HG21 H 1 0.788 0.06 . 2 . . . . 13 Val HG2 . 17033 1 34 . 1 1 13 13 VAL HG22 H 1 0.788 0.06 . 2 . . . . 13 Val HG2 . 17033 1 35 . 1 1 13 13 VAL HG23 H 1 0.788 0.06 . 2 . . . . 13 Val HG2 . 17033 1 36 . 1 1 13 13 VAL CA C 13 58.791 0.55 . 1 . . . . 13 Val CA . 17033 1 37 . 1 1 13 13 VAL CB C 13 35.292 0.55 . 1 . . . . 13 Val CB . 17033 1 38 . 1 1 13 13 VAL CG1 C 13 21.89 0.55 . 2 . . . . 13 Val CG1 . 17033 1 39 . 1 1 13 13 VAL CG2 C 13 20.48 0.55 . 2 . . . . 13 Val CG2 . 17033 1 40 . 1 1 13 13 VAL N N 15 123.517 0.55 . 1 . . . . 13 Val N . 17033 1 41 . 1 1 14 14 ILE H H 1 8.995 0.06 . 1 . . . . 14 Ile H . 17033 1 42 . 1 1 14 14 ILE HA H 1 5.264 0.06 . 1 . . . . 14 Ile HA . 17033 1 43 . 1 1 14 14 ILE HB H 1 1.669 0.06 . 1 . . . . 14 Ile HB . 17033 1 44 . 1 1 14 14 ILE HD11 H 1 0.781 0.06 . 1 . . . . 14 Ile HD1 . 17033 1 45 . 1 1 14 14 ILE HD12 H 1 0.781 0.06 . 1 . . . . 14 Ile HD1 . 17033 1 46 . 1 1 14 14 ILE HD13 H 1 0.781 0.06 . 1 . . . . 14 Ile HD1 . 17033 1 47 . 1 1 14 14 ILE HG12 H 1 1.629 0.06 . 2 . . . . 14 Ile HG12 . 17033 1 48 . 1 1 14 14 ILE HG13 H 1 1.008 0.06 . 2 . . . . 14 Ile HG13 . 17033 1 49 . 1 1 14 14 ILE HG21 H 1 0.938 0.06 . 1 . . . . 14 Ile HG2 . 17033 1 50 . 1 1 14 14 ILE HG22 H 1 0.938 0.06 . 1 . . . . 14 Ile HG2 . 17033 1 51 . 1 1 14 14 ILE HG23 H 1 0.938 0.06 . 1 . . . . 14 Ile HG2 . 17033 1 52 . 1 1 14 14 ILE CA C 13 59.0 0.55 . 1 . . . . 14 Ile CA . 17033 1 53 . 1 1 14 14 ILE CB C 13 40.39 0.55 . 1 . . . . 14 Ile CB . 17033 1 54 . 1 1 14 14 ILE CD1 C 13 14.8 0.55 . 1 . . . . 14 Ile CD1 . 17033 1 55 . 1 1 14 14 ILE CG1 C 13 28.041 0.55 . 1 . . . . 14 Ile CG1 . 17033 1 56 . 1 1 14 14 ILE CG2 C 13 17.116 0.55 . 1 . . . . 14 Ile CG2 . 17033 1 57 . 1 1 14 14 ILE N N 15 125.765 0.55 . 1 . . . . 14 Ile N . 17033 1 58 . 1 1 15 15 ARG H H 1 9.590 0.06 . 1 . . . . 15 Arg H . 17033 1 59 . 1 1 15 15 ARG N N 15 123.550 0.55 . 1 . . . . 15 Arg N . 17033 1 60 . 1 1 16 16 ARG HA H 1 3.17 0.06 . 1 . . . . 16 Arg HA . 17033 1 61 . 1 1 16 16 ARG HB2 H 1 2.06 0.06 . 2 . . . . 16 Arg HB2 . 17033 1 62 . 1 1 16 16 ARG HB3 H 1 2.06 0.06 . 2 . . . . 16 Arg HB3 . 17033 1 63 . 1 1 16 16 ARG HD2 H 1 2.7 0.06 . 2 . . . . 16 Arg HD2 . 17033 1 64 . 1 1 16 16 ARG HD3 H 1 2.7 0.06 . 2 . . . . 16 Arg HD3 . 17033 1 65 . 1 1 16 16 ARG HG2 H 1 0.98 0.06 . 2 . . . . 16 Arg HG2 . 17033 1 66 . 1 1 16 16 ARG HG3 H 1 0.98 0.06 . 2 . . . . 16 Arg HG3 . 17033 1 67 . 1 1 16 16 ARG CA C 13 57.06 0.55 . 1 . . . . 16 Arg CA . 17033 1 68 . 1 1 16 16 ARG CB C 13 28.5 0.55 . 1 . . . . 16 Arg CB . 17033 1 69 . 1 1 16 16 ARG CD C 13 43.39 0.55 . 1 . . . . 16 Arg CD . 17033 1 70 . 1 1 16 16 ARG CG C 13 28.5 0.55 . 1 . . . . 16 Arg CG . 17033 1 71 . 1 1 17 17 LEU H H 1 7.47 0.06 . 1 . . . . 17 Leu H . 17033 1 72 . 1 1 17 17 LEU HA H 1 4.41 0.06 . 1 . . . . 17 Leu HA . 17033 1 73 . 1 1 17 17 LEU HB2 H 1 1.67 0.06 . 2 . . . . 17 Leu HB2 . 17033 1 74 . 1 1 17 17 LEU HB3 H 1 1.67 0.06 . 2 . . . . 17 Leu HB3 . 17033 1 75 . 1 1 17 17 LEU HD11 H 1 0.043 0.06 . 2 . . . . 17 Leu HD1 . 17033 1 76 . 1 1 17 17 LEU HD12 H 1 0.043 0.06 . 2 . . . . 17 Leu HD1 . 17033 1 77 . 1 1 17 17 LEU HD13 H 1 0.043 0.06 . 2 . . . . 17 Leu HD1 . 17033 1 78 . 1 1 17 17 LEU HD21 H 1 0.043 0.06 . 2 . . . . 17 Leu HD2 . 17033 1 79 . 1 1 17 17 LEU HD22 H 1 0.043 0.06 . 2 . . . . 17 Leu HD2 . 17033 1 80 . 1 1 17 17 LEU HD23 H 1 0.043 0.06 . 2 . . . . 17 Leu HD2 . 17033 1 81 . 1 1 17 17 LEU HG H 1 0.45 0.06 . 1 . . . . 17 Leu HG . 17033 1 82 . 1 1 17 17 LEU CA C 13 52.59 0.55 . 1 . . . . 17 Leu CA . 17033 1 83 . 1 1 17 17 LEU CB C 13 40.4 0.55 . 1 . . . . 17 Leu CB . 17033 1 84 . 1 1 17 17 LEU CD1 C 13 22.05 0.55 . 2 . . . . 17 Leu CD1 . 17033 1 85 . 1 1 17 17 LEU CD2 C 13 22.05 0.55 . 2 . . . . 17 Leu CD2 . 17033 1 86 . 1 1 17 17 LEU CG C 13 26.2 0.55 . 1 . . . . 17 Leu CG . 17033 1 87 . 1 1 17 17 LEU N N 15 116 0.55 . 1 . . . . 17 Leu N . 17033 1 88 . 1 1 19 19 PRO HA H 1 4.247 0.06 . 1 . . . . 19 Pro HA . 17033 1 89 . 1 1 19 19 PRO HB2 H 1 1.92 0.06 . 2 . . . . 19 Pro HB2 . 17033 1 90 . 1 1 19 19 PRO HB3 H 1 1.92 0.06 . 2 . . . . 19 Pro HB3 . 17033 1 91 . 1 1 19 19 PRO CA C 13 63.866 0.55 . 1 . . . . 19 Pro CA . 17033 1 92 . 1 1 19 19 PRO CB C 13 31.461 0.55 . 1 . . . . 19 Pro CB . 17033 1 93 . 1 1 20 20 GLY H H 1 8.696 0.06 . 1 . . . . 20 Gly H . 17033 1 94 . 1 1 20 20 GLY HA2 H 1 4.094 0.06 . 2 . . . . 20 Gly HA2 . 17033 1 95 . 1 1 20 20 GLY HA3 H 1 3.734 0.06 . 2 . . . . 20 Gly HA3 . 17033 1 96 . 1 1 20 20 GLY CA C 13 44.908 0.55 . 1 . . . . 20 Gly CA . 17033 1 97 . 1 1 20 20 GLY N N 15 108.382 0.55 . 1 . . . . 20 Gly N . 17033 1 98 . 1 1 21 21 LEU H H 1 6.830 0.06 . 1 . . . . 21 Leu H . 17033 1 99 . 1 1 21 21 LEU HA H 1 4.315 0.06 . 1 . . . . 21 Leu HA . 17033 1 100 . 1 1 21 21 LEU HB2 H 1 1.683 0.06 . 2 . . . . 21 Leu HB2 . 17033 1 101 . 1 1 21 21 LEU HB3 H 1 1.389 0.06 . 2 . . . . 21 Leu HB3 . 17033 1 102 . 1 1 21 21 LEU HD11 H 1 0.937 0.06 . 2 . . . . 21 Leu HD1 . 17033 1 103 . 1 1 21 21 LEU HD12 H 1 0.937 0.06 . 2 . . . . 21 Leu HD1 . 17033 1 104 . 1 1 21 21 LEU HD13 H 1 0.937 0.06 . 2 . . . . 21 Leu HD1 . 17033 1 105 . 1 1 21 21 LEU HD21 H 1 0.937 0.06 . 2 . . . . 21 Leu HD2 . 17033 1 106 . 1 1 21 21 LEU HD22 H 1 0.937 0.06 . 2 . . . . 21 Leu HD2 . 17033 1 107 . 1 1 21 21 LEU HD23 H 1 0.937 0.06 . 2 . . . . 21 Leu HD2 . 17033 1 108 . 1 1 21 21 LEU HG H 1 0.724 0.06 . 1 . . . . 21 Leu HG . 17033 1 109 . 1 1 21 21 LEU CA C 13 55.24 0.55 . 1 . . . . 21 Leu CA . 17033 1 110 . 1 1 21 21 LEU CB C 13 44.150 0.55 . 1 . . . . 21 Leu CB . 17033 1 111 . 1 1 21 21 LEU CD1 C 13 25.190 0.55 . 2 . . . . 21 Leu CD1 . 17033 1 112 . 1 1 21 21 LEU CD2 C 13 25.19 0.55 . 2 . . . . 21 Leu CD2 . 17033 1 113 . 1 1 21 21 LEU CG C 13 28.1 0.55 . 1 . . . . 21 Leu CG . 17033 1 114 . 1 1 21 21 LEU N N 15 122.077 0.55 . 1 . . . . 21 Leu N . 17033 1 115 . 1 1 22 22 THR H H 1 7.352 0.06 . 1 . . . . 22 Thr H . 17033 1 116 . 1 1 22 22 THR HA H 1 4.433 0.06 . 1 . . . . 22 Thr HA . 17033 1 117 . 1 1 22 22 THR HB H 1 4.433 0.06 . 1 . . . . 22 Thr HB . 17033 1 118 . 1 1 22 22 THR CA C 13 58.892 0.55 . 1 . . . . 22 Thr CA . 17033 1 119 . 1 1 22 22 THR CB C 13 71.894 0.55 . 1 . . . . 22 Thr CB . 17033 1 120 . 1 1 22 22 THR N N 15 111.530 0.55 . 1 . . . . 22 Thr N . 17033 1 121 . 1 1 23 23 LYS H H 1 8.396 0.06 . 1 . . . . 23 Lys H . 17033 1 122 . 1 1 23 23 LYS HA H 1 2.707 0.06 . 1 . . . . 23 Lys HA . 17033 1 123 . 1 1 23 23 LYS HB2 H 1 1.44 0.06 . 2 . . . . 23 Lys HB2 . 17033 1 124 . 1 1 23 23 LYS HB3 H 1 1.44 0.06 . 2 . . . . 23 Lys HB3 . 17033 1 125 . 1 1 23 23 LYS HD2 H 1 1.392 0.06 . 2 . . . . 23 Lys HD2 . 17033 1 126 . 1 1 23 23 LYS HD3 H 1 1.392 0.06 . 2 . . . . 23 Lys HD3 . 17033 1 127 . 1 1 23 23 LYS HE2 H 1 2.184 0.06 . 2 . . . . 23 Lys HE2 . 17033 1 128 . 1 1 23 23 LYS HE3 H 1 2.012 0.06 . 2 . . . . 23 Lys HE3 . 17033 1 129 . 1 1 23 23 LYS HG2 H 1 1.1 0.06 . 2 . . . . 23 Lys HG2 . 17033 1 130 . 1 1 23 23 LYS HG3 H 1 0.652 0.06 . 2 . . . . 23 Lys HG3 . 17033 1 131 . 1 1 23 23 LYS CA C 13 60.071 0.55 . 1 . . . . 23 Lys CA . 17033 1 132 . 1 1 23 23 LYS CB C 13 32.504 0.55 . 1 . . . . 23 Lys CB . 17033 1 133 . 1 1 23 23 LYS CD C 13 29.722 0.55 . 1 . . . . 23 Lys CD . 17033 1 134 . 1 1 23 23 LYS CE C 13 41.58 0.55 . 1 . . . . 23 Lys CE . 17033 1 135 . 1 1 23 23 LYS CG C 13 25.205 0.55 . 1 . . . . 23 Lys CG . 17033 1 136 . 1 1 23 23 LYS N N 15 122.145 0.55 . 1 . . . . 23 Lys N . 17033 1 137 . 1 1 24 24 GLU H H 1 8.519 0.06 . 1 . . . . 24 Glu H . 17033 1 138 . 1 1 24 24 GLU HA H 1 3.974 0.06 . 1 . . . . 24 Glu HA . 17033 1 139 . 1 1 24 24 GLU HB2 H 1 1.947 0.06 . 2 . . . . 24 Glu HB2 . 17033 1 140 . 1 1 24 24 GLU HB3 H 1 1.844 0.06 . 2 . . . . 24 Glu HB3 . 17033 1 141 . 1 1 24 24 GLU HG2 H 1 2.387 0.06 . 2 . . . . 24 Glu HG2 . 17033 1 142 . 1 1 24 24 GLU HG3 H 1 2.182 0.06 . 2 . . . . 24 Glu HG3 . 17033 1 143 . 1 1 24 24 GLU CA C 13 60.273 0.55 . 1 . . . . 24 Glu CA . 17033 1 144 . 1 1 24 24 GLU CB C 13 28.758 0.55 . 1 . . . . 24 Glu CB . 17033 1 145 . 1 1 24 24 GLU CG C 13 37.38 0.55 . 1 . . . . 24 Glu CG . 17033 1 146 . 1 1 24 24 GLU N N 15 116.344 0.55 . 1 . . . . 24 Glu N . 17033 1 147 . 1 1 25 25 GLN H H 1 7.489 0.06 . 1 . . . . 25 Gln H . 17033 1 148 . 1 1 25 25 GLN HA H 1 4.09 0.06 . 1 . . . . 25 Gln HA . 17033 1 149 . 1 1 25 25 GLN HB2 H 1 2.17 0.06 . 2 . . . . 25 Gln HB2 . 17033 1 150 . 1 1 25 25 GLN HB3 H 1 1.925 0.06 . 2 . . . . 25 Gln HB3 . 17033 1 151 . 1 1 25 25 GLN HE21 H 1 7.43 0.06 . 2 . . . . 25 Gln HE21 . 17033 1 152 . 1 1 25 25 GLN HE22 H 1 6.7 0.06 . 2 . . . . 25 Gln HE22 . 17033 1 153 . 1 1 25 25 GLN HG2 H 1 2.4 0.06 . 2 . . . . 25 Gln HG2 . 17033 1 154 . 1 1 25 25 GLN HG3 H 1 2.4 0.06 . 2 . . . . 25 Gln HG3 . 17033 1 155 . 1 1 25 25 GLN CA C 13 58.200 0.55 . 1 . . . . 25 Gln CA . 17033 1 156 . 1 1 25 25 GLN CB C 13 29.3 0.55 . 1 . . . . 25 Gln CB . 17033 1 157 . 1 1 25 25 GLN CG C 13 34.45 0.55 . 1 . . . . 25 Gln CG . 17033 1 158 . 1 1 25 25 GLN N N 15 119.290 0.55 . 1 . . . . 25 Gln N . 17033 1 159 . 1 1 25 25 GLN NE2 N 15 110.2 0.55 . 1 . . . . 25 Gln NE2 . 17033 1 160 . 1 1 26 26 LEU H H 1 8.113 0.06 . 1 . . . . 26 Leu H . 17033 1 161 . 1 1 26 26 LEU HA H 1 4.045 0.06 . 1 . . . . 26 Leu HA . 17033 1 162 . 1 1 26 26 LEU HB2 H 1 1.977 0.06 . 2 . . . . 26 Leu HB2 . 17033 1 163 . 1 1 26 26 LEU HB3 H 1 1.196 0.06 . 2 . . . . 26 Leu HB3 . 17033 1 164 . 1 1 26 26 LEU HD11 H 1 0.75 0.06 . 2 . . . . 26 Leu HD1 . 17033 1 165 . 1 1 26 26 LEU HD12 H 1 0.75 0.06 . 2 . . . . 26 Leu HD1 . 17033 1 166 . 1 1 26 26 LEU HD13 H 1 0.75 0.06 . 2 . . . . 26 Leu HD1 . 17033 1 167 . 1 1 26 26 LEU HD21 H 1 0.75 0.06 . 2 . . . . 26 Leu HD2 . 17033 1 168 . 1 1 26 26 LEU HD22 H 1 0.75 0.06 . 2 . . . . 26 Leu HD2 . 17033 1 169 . 1 1 26 26 LEU HD23 H 1 0.75 0.06 . 2 . . . . 26 Leu HD2 . 17033 1 170 . 1 1 26 26 LEU HG H 1 0.858 0.06 . 1 . . . . 26 Leu HG . 17033 1 171 . 1 1 26 26 LEU CA C 13 58.14 0.55 . 1 . . . . 26 Leu CA . 17033 1 172 . 1 1 26 26 LEU CB C 13 40.706 0.55 . 1 . . . . 26 Leu CB . 17033 1 173 . 1 1 26 26 LEU CD1 C 13 23.82 0.55 . 2 . . . . 26 Leu CD1 . 17033 1 174 . 1 1 26 26 LEU CD2 C 13 23.82 0.55 . 2 . . . . 26 Leu CD2 . 17033 1 175 . 1 1 26 26 LEU CG C 13 27.57 0.55 . 1 . . . . 26 Leu CG . 17033 1 176 . 1 1 26 26 LEU N N 15 120.572 0.55 . 1 . . . . 26 Leu N . 17033 1 177 . 1 1 27 27 GLU H H 1 8.730 0.06 . 1 . . . . 27 Glu H . 17033 1 178 . 1 1 27 27 GLU HA H 1 3.516 0.06 . 1 . . . . 27 Glu HA . 17033 1 179 . 1 1 27 27 GLU HB2 H 1 2.033 0.06 . 2 . . . . 27 Glu HB2 . 17033 1 180 . 1 1 27 27 GLU HB3 H 1 2.033 0.06 . 2 . . . . 27 Glu HB3 . 17033 1 181 . 1 1 27 27 GLU HG2 H 1 2.29 0.06 . 2 . . . . 27 Glu HG2 . 17033 1 182 . 1 1 27 27 GLU HG3 H 1 2.027 0.06 . 2 . . . . 27 Glu HG3 . 17033 1 183 . 1 1 27 27 GLU CA C 13 60.984 0.55 . 1 . . . . 27 Glu CA . 17033 1 184 . 1 1 27 27 GLU CB C 13 29.548 0.55 . 1 . . . . 27 Glu CB . 17033 1 185 . 1 1 27 27 GLU CG C 13 37.140 0.55 . 1 . . . . 27 Glu CG . 17033 1 186 . 1 1 27 27 GLU N N 15 118.183 0.55 . 1 . . . . 27 Glu N . 17033 1 187 . 1 1 28 28 GLU H H 1 7.550 0.06 . 1 . . . . 28 Glu H . 17033 1 188 . 1 1 28 28 GLU HA H 1 3.92 0.06 . 1 . . . . 28 Glu HA . 17033 1 189 . 1 1 28 28 GLU HB2 H 1 2.151 0.06 . 2 . . . . 28 Glu HB2 . 17033 1 190 . 1 1 28 28 GLU HB3 H 1 2.08 0.06 . 2 . . . . 28 Glu HB3 . 17033 1 191 . 1 1 28 28 GLU HG2 H 1 2.325 0.06 . 2 . . . . 28 Glu HG2 . 17033 1 192 . 1 1 28 28 GLU HG3 H 1 2.277 0.06 . 2 . . . . 28 Glu HG3 . 17033 1 193 . 1 1 28 28 GLU CA C 13 59.278 0.55 . 1 . . . . 28 Glu CA . 17033 1 194 . 1 1 28 28 GLU CB C 13 29.55 0.55 . 1 . . . . 28 Glu CB . 17033 1 195 . 1 1 28 28 GLU CG C 13 35.944 0.55 . 1 . . . . 28 Glu CG . 17033 1 196 . 1 1 28 28 GLU N N 15 115.918 0.55 . 1 . . . . 28 Glu N . 17033 1 197 . 1 1 29 29 GLN H H 1 7.481 0.06 . 1 . . . . 29 Gln H . 17033 1 198 . 1 1 29 29 GLN HA H 1 4.208 0.06 . 1 . . . . 29 Gln HA . 17033 1 199 . 1 1 29 29 GLN HB2 H 1 2.203 0.06 . 2 . . . . 29 Gln HB2 . 17033 1 200 . 1 1 29 29 GLN HB3 H 1 2.133 0.06 . 2 . . . . 29 Gln HB3 . 17033 1 201 . 1 1 29 29 GLN HE21 H 1 7.56 0.06 . 2 . . . . 29 Gln HE21 . 17033 1 202 . 1 1 29 29 GLN HE22 H 1 7.12 0.06 . 2 . . . . 29 Gln HE22 . 17033 1 203 . 1 1 29 29 GLN HG2 H 1 2.598 0.06 . 2 . . . . 29 Gln HG2 . 17033 1 204 . 1 1 29 29 GLN HG3 H 1 2.521 0.06 . 2 . . . . 29 Gln HG3 . 17033 1 205 . 1 1 29 29 GLN CA C 13 57.584 0.55 . 1 . . . . 29 Gln CA . 17033 1 206 . 1 1 29 29 GLN CB C 13 29.587 0.55 . 1 . . . . 29 Gln CB . 17033 1 207 . 1 1 29 29 GLN CG C 13 34.484 0.55 . 1 . . . . 29 Gln CG . 17033 1 208 . 1 1 29 29 GLN N N 15 115.680 0.55 . 1 . . . . 29 Gln N . 17033 1 209 . 1 1 29 29 GLN NE2 N 15 112.9 0.55 . 1 . . . . 29 Gln NE2 . 17033 1 210 . 1 1 30 30 LEU H H 1 7.594 0.06 . 1 . . . . 30 Leu H . 17033 1 211 . 1 1 30 30 LEU HA H 1 4.139 0.06 . 1 . . . . 30 Leu HA . 17033 1 212 . 1 1 30 30 LEU HB2 H 1 1.481 0.06 . 2 . . . . 30 Leu HB2 . 17033 1 213 . 1 1 30 30 LEU HB3 H 1 1.326 0.06 . 2 . . . . 30 Leu HB3 . 17033 1 214 . 1 1 30 30 LEU HD11 H 1 -0.23 0.06 . 2 . . . . 30 Leu HD1 . 17033 1 215 . 1 1 30 30 LEU HD12 H 1 -0.23 0.06 . 2 . . . . 30 Leu HD1 . 17033 1 216 . 1 1 30 30 LEU HD13 H 1 -0.23 0.06 . 2 . . . . 30 Leu HD1 . 17033 1 217 . 1 1 30 30 LEU HD21 H 1 -0.23 0.06 . 2 . . . . 30 Leu HD2 . 17033 1 218 . 1 1 30 30 LEU HD22 H 1 -0.23 0.06 . 2 . . . . 30 Leu HD2 . 17033 1 219 . 1 1 30 30 LEU HD23 H 1 -0.23 0.06 . 2 . . . . 30 Leu HD2 . 17033 1 220 . 1 1 30 30 LEU HG H 1 0.488 0.06 . 1 . . . . 30 Leu HG . 17033 1 221 . 1 1 30 30 LEU CA C 13 54.75 0.55 . 1 . . . . 30 Leu CA . 17033 1 222 . 1 1 30 30 LEU CB C 13 42.377 0.55 . 1 . . . . 30 Leu CB . 17033 1 223 . 1 1 30 30 LEU CD1 C 13 20.582 0.55 . 2 . . . . 30 Leu CD1 . 17033 1 224 . 1 1 30 30 LEU CD2 C 13 20.582 0.55 . 2 . . . . 30 Leu CD2 . 17033 1 225 . 1 1 30 30 LEU CG C 13 25.89 0.55 . 1 . . . . 30 Leu CG . 17033 1 226 . 1 1 30 30 LEU N N 15 116.083 0.55 . 1 . . . . 30 Leu N . 17033 1 227 . 1 1 31 31 ARG H H 1 7.117 0.06 . 1 . . . . 31 Arg H . 17033 1 228 . 1 1 31 31 ARG HA H 1 4.241 0.06 . 1 . . . . 31 Arg HA . 17033 1 229 . 1 1 31 31 ARG HB2 H 1 1.938 0.06 . 2 . . . . 31 Arg HB2 . 17033 1 230 . 1 1 31 31 ARG HB3 H 1 1.78 0.06 . 2 . . . . 31 Arg HB3 . 17033 1 231 . 1 1 31 31 ARG HD2 H 1 3.211 0.06 . 2 . . . . 31 Arg HD2 . 17033 1 232 . 1 1 31 31 ARG HD3 H 1 3.18 0.06 . 2 . . . . 31 Arg HD3 . 17033 1 233 . 1 1 31 31 ARG HG2 H 1 1.85 0.06 . 2 . . . . 31 Arg HG2 . 17033 1 234 . 1 1 31 31 ARG HG3 H 1 1.649 0.06 . 2 . . . . 31 Arg HG3 . 17033 1 235 . 1 1 31 31 ARG CA C 13 55.36 0.55 . 1 . . . . 31 Arg CA . 17033 1 236 . 1 1 31 31 ARG CB C 13 30.422 0.55 . 1 . . . . 31 Arg CB . 17033 1 237 . 1 1 31 31 ARG CD C 13 43.9 0.55 . 1 . . . . 31 Arg CD . 17033 1 238 . 1 1 31 31 ARG CG C 13 26.5 0.55 . 1 . . . . 31 Arg CG . 17033 1 239 . 1 1 31 31 ARG N N 15 117.111 0.55 . 1 . . . . 31 Arg N . 17033 1 240 . 1 1 32 32 PRO HA H 1 4.64 0.06 . 1 . . . . 32 Pro HA . 17033 1 241 . 1 1 32 32 PRO HB2 H 1 2.27 0.06 . 2 . . . . 32 Pro HB2 . 17033 1 242 . 1 1 32 32 PRO HB3 H 1 2.027 0.06 . 2 . . . . 32 Pro HB3 . 17033 1 243 . 1 1 32 32 PRO HD2 H 1 3.669 0.06 . 2 . . . . 32 Pro HD2 . 17033 1 244 . 1 1 32 32 PRO HD3 H 1 3.566 0.06 . 2 . . . . 32 Pro HD3 . 17033 1 245 . 1 1 32 32 PRO HG2 H 1 2.162 0.06 . 2 . . . . 32 Pro HG2 . 17033 1 246 . 1 1 32 32 PRO HG3 H 1 1.961 0.06 . 2 . . . . 32 Pro HG3 . 17033 1 247 . 1 1 32 32 PRO CA C 13 61.886 0.55 . 1 . . . . 32 Pro CA . 17033 1 248 . 1 1 32 32 PRO CB C 13 33.350 0.55 . 1 . . . . 32 Pro CB . 17033 1 249 . 1 1 32 32 PRO CD C 13 50.27 0.55 . 1 . . . . 32 Pro CD . 17033 1 250 . 1 1 32 32 PRO CG C 13 24.662 0.55 . 1 . . . . 32 Pro CG . 17033 1 251 . 1 1 33 33 LEU H H 1 9.155 0.06 . 1 . . . . 33 Leu H . 17033 1 252 . 1 1 33 33 LEU HA H 1 4.75 0.06 . 1 . . . . 33 Leu HA . 17033 1 253 . 1 1 33 33 LEU HB2 H 1 1.66 0.06 . 2 . . . . 33 Leu HB2 . 17033 1 254 . 1 1 33 33 LEU HB3 H 1 1.532 0.06 . 2 . . . . 33 Leu HB3 . 17033 1 255 . 1 1 33 33 LEU HD11 H 1 0.570 0.06 . 2 . . . . 33 Leu HD1 . 17033 1 256 . 1 1 33 33 LEU HD12 H 1 0.570 0.06 . 2 . . . . 33 Leu HD1 . 17033 1 257 . 1 1 33 33 LEU HD13 H 1 0.570 0.06 . 2 . . . . 33 Leu HD1 . 17033 1 258 . 1 1 33 33 LEU HD21 H 1 0.533 0.06 . 2 . . . . 33 Leu HD2 . 17033 1 259 . 1 1 33 33 LEU HD22 H 1 0.533 0.06 . 2 . . . . 33 Leu HD2 . 17033 1 260 . 1 1 33 33 LEU HD23 H 1 0.533 0.06 . 2 . . . . 33 Leu HD2 . 17033 1 261 . 1 1 33 33 LEU HG H 1 1.59 0.06 . 1 . . . . 33 Leu HG . 17033 1 262 . 1 1 33 33 LEU CA C 13 53.250 0.55 . 1 . . . . 33 Leu CA . 17033 1 263 . 1 1 33 33 LEU CB C 13 43.314 0.55 . 1 . . . . 33 Leu CB . 17033 1 264 . 1 1 33 33 LEU CD1 C 13 25.7 0.55 . 2 . . . . 33 Leu CD1 . 17033 1 265 . 1 1 33 33 LEU CD2 C 13 25.6 0.55 . 2 . . . . 33 Leu CD2 . 17033 1 266 . 1 1 33 33 LEU CG C 13 27.27 0.55 . 1 . . . . 33 Leu CG . 17033 1 267 . 1 1 33 33 LEU N N 15 129.31 0.55 . 1 . . . . 33 Leu N . 17033 1 268 . 1 1 34 34 PRO HA H 1 4.512 0.06 . 1 . . . . 34 Pro HA . 17033 1 269 . 1 1 34 34 PRO HB2 H 1 2.392 0.06 . 2 . . . . 34 Pro HB2 . 17033 1 270 . 1 1 34 34 PRO HB3 H 1 1.65 0.06 . 2 . . . . 34 Pro HB3 . 17033 1 271 . 1 1 34 34 PRO HD2 H 1 4.249 0.06 . 2 . . . . 34 Pro HD2 . 17033 1 272 . 1 1 34 34 PRO HD3 H 1 3.409 0.06 . 2 . . . . 34 Pro HD3 . 17033 1 273 . 1 1 34 34 PRO HG2 H 1 1.99 0.06 . 2 . . . . 34 Pro HG2 . 17033 1 274 . 1 1 34 34 PRO HG3 H 1 1.99 0.06 . 2 . . . . 34 Pro HG3 . 17033 1 275 . 1 1 34 34 PRO CA C 13 62.030 0.55 . 1 . . . . 34 Pro CA . 17033 1 276 . 1 1 34 34 PRO CB C 13 32.045 0.55 . 1 . . . . 34 Pro CB . 17033 1 277 . 1 1 34 34 PRO CD C 13 50.88 0.55 . 1 . . . . 34 Pro CD . 17033 1 278 . 1 1 34 34 PRO CG C 13 27.61 0.55 . 1 . . . . 34 Pro CG . 17033 1 279 . 1 1 35 35 ALA H H 1 8.643 0.06 . 1 . . . . 35 Ala H . 17033 1 280 . 1 1 35 35 ALA HA H 1 4.25 0.06 . 1 . . . . 35 Ala HA . 17033 1 281 . 1 1 35 35 ALA HB1 H 1 1.409 0.06 . 1 . . . . 35 Ala HB . 17033 1 282 . 1 1 35 35 ALA HB2 H 1 1.409 0.06 . 1 . . . . 35 Ala HB . 17033 1 283 . 1 1 35 35 ALA HB3 H 1 1.409 0.06 . 1 . . . . 35 Ala HB . 17033 1 284 . 1 1 35 35 ALA CA C 13 53.37 0.55 . 1 . . . . 35 Ala CA . 17033 1 285 . 1 1 35 35 ALA CB C 13 18.61 0.55 . 1 . . . . 35 Ala CB . 17033 1 286 . 1 1 35 35 ALA N N 15 122.4 0.55 . 1 . . . . 35 Ala N . 17033 1 287 . 1 1 36 36 HIS H H 1 8.412 0.06 . 1 . . . . 36 His H . 17033 1 288 . 1 1 36 36 HIS HA H 1 5.251 0.06 . 1 . . . . 36 His HA . 17033 1 289 . 1 1 36 36 HIS HB2 H 1 3.0 0.06 . 2 . . . . 36 His HB2 . 17033 1 290 . 1 1 36 36 HIS HB3 H 1 2.686 0.06 . 2 . . . . 36 His HB3 . 17033 1 291 . 1 1 36 36 HIS CA C 13 55.757 0.55 . 1 . . . . 36 His CA . 17033 1 292 . 1 1 36 36 HIS CB C 13 32.24 0.55 . 1 . . . . 36 His CB . 17033 1 293 . 1 1 36 36 HIS N N 15 119.5 0.55 . 1 . . . . 36 His N . 17033 1 294 . 1 1 37 37 ASP H H 1 8.544 0.06 . 1 . . . . 37 Asp H . 17033 1 295 . 1 1 37 37 ASP HA H 1 4.798 0.06 . 1 . . . . 37 Asp HA . 17033 1 296 . 1 1 37 37 ASP HB2 H 1 2.98 0.06 . 2 . . . . 37 Asp HB2 . 17033 1 297 . 1 1 37 37 ASP HB3 H 1 2.421 0.06 . 2 . . . . 37 Asp HB3 . 17033 1 298 . 1 1 37 37 ASP CA C 13 52.850 0.55 . 1 . . . . 37 Asp CA . 17033 1 299 . 1 1 37 37 ASP CB C 13 41.642 0.55 . 1 . . . . 37 Asp CB . 17033 1 300 . 1 1 37 37 ASP N N 15 117.480 0.55 . 1 . . . . 37 Asp N . 17033 1 301 . 1 1 38 38 TYR H H 1 7.485 0.06 . 1 . . . . 38 Tyr H . 17033 1 302 . 1 1 38 38 TYR HA H 1 4.652 0.06 . 1 . . . . 38 Tyr HA . 17033 1 303 . 1 1 38 38 TYR HB2 H 1 3.16 0.06 . 2 . . . . 38 Tyr HB2 . 17033 1 304 . 1 1 38 38 TYR HB3 H 1 2.482 0.06 . 2 . . . . 38 Tyr HB3 . 17033 1 305 . 1 1 38 38 TYR HD1 H 1 6.86 0.06 . 3 . . . . 38 Tyr HD1 . 17033 1 306 . 1 1 38 38 TYR HD2 H 1 6.86 0.06 . 3 . . . . 38 Tyr HD2 . 17033 1 307 . 1 1 38 38 TYR CA C 13 58.249 0.55 . 1 . . . . 38 Tyr CA . 17033 1 308 . 1 1 38 38 TYR CB C 13 41.45 0.55 . 1 . . . . 38 Tyr CB . 17033 1 309 . 1 1 38 38 TYR CD1 C 13 132.93 0.55 . 3 . . . . 38 Tyr CD1 . 17033 1 310 . 1 1 38 38 TYR CD2 C 13 132.93 0.55 . 3 . . . . 38 Tyr CD2 . 17033 1 311 . 1 1 38 38 TYR N N 15 120.448 0.55 . 1 . . . . 38 Tyr N . 17033 1 312 . 1 1 39 39 PHE H H 1 8.473 0.06 . 1 . . . . 39 Phe H . 17033 1 313 . 1 1 39 39 PHE HA H 1 5.347 0.06 . 1 . . . . 39 Phe HA . 17033 1 314 . 1 1 39 39 PHE HB2 H 1 2.862 0.06 . 2 . . . . 39 Phe HB2 . 17033 1 315 . 1 1 39 39 PHE HB3 H 1 2.862 0.06 . 2 . . . . 39 Phe HB3 . 17033 1 316 . 1 1 39 39 PHE HD1 H 1 7.08 0.06 . 3 . . . . 39 Phe HD1 . 17033 1 317 . 1 1 39 39 PHE HD2 H 1 7.08 0.06 . 3 . . . . 39 Phe HD2 . 17033 1 318 . 1 1 39 39 PHE HE1 H 1 6.86 0.06 . 3 . . . . 39 Phe HE1 . 17033 1 319 . 1 1 39 39 PHE HE2 H 1 6.86 0.06 . 3 . . . . 39 Phe HE2 . 17033 1 320 . 1 1 39 39 PHE CA C 13 54.855 0.55 . 1 . . . . 39 Phe CA . 17033 1 321 . 1 1 39 39 PHE CB C 13 39.688 0.55 . 1 . . . . 39 Phe CB . 17033 1 322 . 1 1 39 39 PHE CD1 C 13 133.0 0.55 . 3 . . . . 39 Phe CD1 . 17033 1 323 . 1 1 39 39 PHE CD2 C 13 133.0 0.55 . 3 . . . . 39 Phe CD2 . 17033 1 324 . 1 1 39 39 PHE CE1 C 13 130.89 0.55 . 3 . . . . 39 Phe CE1 . 17033 1 325 . 1 1 39 39 PHE CE2 C 13 130.89 0.55 . 3 . . . . 39 Phe CE2 . 17033 1 326 . 1 1 39 39 PHE N N 15 129.771 0.55 . 1 . . . . 39 Phe N . 17033 1 327 . 1 1 40 40 GLU H H 1 8.682 0.06 . 1 . . . . 40 Glu H . 17033 1 328 . 1 1 40 40 GLU HA H 1 4.336 0.06 . 1 . . . . 40 Glu HA . 17033 1 329 . 1 1 40 40 GLU HB2 H 1 1.76 0.06 . 2 . . . . 40 Glu HB2 . 17033 1 330 . 1 1 40 40 GLU HB3 H 1 1.52 0.06 . 2 . . . . 40 Glu HB3 . 17033 1 331 . 1 1 40 40 GLU HG2 H 1 1.917 0.06 . 2 . . . . 40 Glu HG2 . 17033 1 332 . 1 1 40 40 GLU HG3 H 1 1.519 0.06 . 2 . . . . 40 Glu HG3 . 17033 1 333 . 1 1 40 40 GLU CA C 13 54.632 0.55 . 1 . . . . 40 Glu CA . 17033 1 334 . 1 1 40 40 GLU CB C 13 33.3 0.55 . 1 . . . . 40 Glu CB . 17033 1 335 . 1 1 40 40 GLU CG C 13 36.28 0.55 . 1 . . . . 40 Glu CG . 17033 1 336 . 1 1 40 40 GLU N N 15 127.701 0.55 . 1 . . . . 40 Glu N . 17033 1 337 . 1 1 41 41 PHE H H 1 8.6 0.06 . 1 . . . . 41 Phe H . 17033 1 338 . 1 1 41 41 PHE HA H 1 4.783 0.06 . 1 . . . . 41 Phe HA . 17033 1 339 . 1 1 41 41 PHE HB2 H 1 2.8 0.06 . 2 . . . . 41 Phe HB2 . 17033 1 340 . 1 1 41 41 PHE HB3 H 1 2.445 0.06 . 2 . . . . 41 Phe HB3 . 17033 1 341 . 1 1 41 41 PHE HD1 H 1 6.86 0.06 . 3 . . . . 41 Phe HD1 . 17033 1 342 . 1 1 41 41 PHE HD2 H 1 6.876 0.06 . 3 . . . . 41 Phe HD2 . 17033 1 343 . 1 1 41 41 PHE HE1 H 1 6.912 0.06 . 3 . . . . 41 Phe HE1 . 17033 1 344 . 1 1 41 41 PHE HE2 H 1 6.912 0.06 . 3 . . . . 41 Phe HE2 . 17033 1 345 . 1 1 41 41 PHE CA C 13 56.683 0.55 . 1 . . . . 41 Phe CA . 17033 1 346 . 1 1 41 41 PHE CB C 13 43.22 0.55 . 1 . . . . 41 Phe CB . 17033 1 347 . 1 1 41 41 PHE CD1 C 13 132.94 0.55 . 3 . . . . 41 Phe CD1 . 17033 1 348 . 1 1 41 41 PHE CD2 C 13 132.94 0.55 . 3 . . . . 41 Phe CD2 . 17033 1 349 . 1 1 41 41 PHE CE1 C 13 130.94 0.55 . 3 . . . . 41 Phe CE1 . 17033 1 350 . 1 1 41 41 PHE CE2 C 13 130.94 0.55 . 3 . . . . 41 Phe CE2 . 17033 1 351 . 1 1 41 41 PHE N N 15 125.93 0.55 . 1 . . . . 41 Phe N . 17033 1 352 . 1 1 42 42 PHE H H 1 8.692 0.06 . 1 . . . . 42 Phe H . 17033 1 353 . 1 1 42 42 PHE HA H 1 4.419 0.06 . 1 . . . . 42 Phe HA . 17033 1 354 . 1 1 42 42 PHE HB2 H 1 2.581 0.06 . 2 . . . . 42 Phe HB2 . 17033 1 355 . 1 1 42 42 PHE HB3 H 1 2.581 0.06 . 2 . . . . 42 Phe HB3 . 17033 1 356 . 1 1 42 42 PHE HD1 H 1 7.078 0.06 . 3 . . . . 42 Phe HD1 . 17033 1 357 . 1 1 42 42 PHE HD2 H 1 7.078 0.06 . 3 . . . . 42 Phe HD2 . 17033 1 358 . 1 1 42 42 PHE CA C 13 56.73 0.55 . 1 . . . . 42 Phe CA . 17033 1 359 . 1 1 42 42 PHE CB C 13 40.426 0.55 . 1 . . . . 42 Phe CB . 17033 1 360 . 1 1 42 42 PHE CD1 C 13 131.256 0.55 . 3 . . . . 42 Phe CD1 . 17033 1 361 . 1 1 42 42 PHE CD2 C 13 131.256 0.55 . 3 . . . . 42 Phe CD2 . 17033 1 362 . 1 1 42 42 PHE N N 15 128.068 0.55 . 1 . . . . 42 Phe N . 17033 1 363 . 1 1 43 43 ALA H H 1 8.114 0.06 . 1 . . . . 43 Ala H . 17033 1 364 . 1 1 43 43 ALA HA H 1 4.124 0.06 . 1 . . . . 43 Ala HA . 17033 1 365 . 1 1 43 43 ALA HB1 H 1 1.474 0.06 . 1 . . . . 43 Ala HB . 17033 1 366 . 1 1 43 43 ALA HB2 H 1 1.474 0.06 . 1 . . . . 43 Ala HB . 17033 1 367 . 1 1 43 43 ALA HB3 H 1 1.474 0.06 . 1 . . . . 43 Ala HB . 17033 1 368 . 1 1 43 43 ALA CA C 13 51.75 0.55 . 1 . . . . 43 Ala CA . 17033 1 369 . 1 1 43 43 ALA CB C 13 19.82 0.55 . 1 . . . . 43 Ala CB . 17033 1 370 . 1 1 43 43 ALA N N 15 125.320 0.55 . 1 . . . . 43 Ala N . 17033 1 371 . 1 1 44 44 ALA H H 1 7.909 0.06 . 1 . . . . 44 Ala H . 17033 1 372 . 1 1 44 44 ALA N N 15 121.865 0.55 . 1 . . . . 44 Ala N . 17033 1 373 . 1 1 46 46 LEU HA H 1 4.375 0.06 . 1 . . . . 46 Leu HA . 17033 1 374 . 1 1 46 46 LEU HB2 H 1 1.835 0.06 . 2 . . . . 46 Leu HB2 . 17033 1 375 . 1 1 46 46 LEU HB3 H 1 1.835 0.06 . 2 . . . . 46 Leu HB3 . 17033 1 376 . 1 1 46 46 LEU HD11 H 1 0.964 0.06 . 2 . . . . 46 Leu HD1 . 17033 1 377 . 1 1 46 46 LEU HD12 H 1 0.964 0.06 . 2 . . . . 46 Leu HD1 . 17033 1 378 . 1 1 46 46 LEU HD13 H 1 0.964 0.06 . 2 . . . . 46 Leu HD1 . 17033 1 379 . 1 1 46 46 LEU HD21 H 1 0.964 0.06 . 2 . . . . 46 Leu HD2 . 17033 1 380 . 1 1 46 46 LEU HD22 H 1 0.964 0.06 . 2 . . . . 46 Leu HD2 . 17033 1 381 . 1 1 46 46 LEU HD23 H 1 0.964 0.06 . 2 . . . . 46 Leu HD2 . 17033 1 382 . 1 1 46 46 LEU HG H 1 1.602 0.06 . 1 . . . . 46 Leu HG . 17033 1 383 . 1 1 46 46 LEU CA C 13 55.946 0.55 . 1 . . . . 46 Leu CA . 17033 1 384 . 1 1 46 46 LEU CB C 13 41.630 0.55 . 1 . . . . 46 Leu CB . 17033 1 385 . 1 1 46 46 LEU CD1 C 13 24.64 0.55 . 2 . . . . 46 Leu CD1 . 17033 1 386 . 1 1 46 46 LEU CD2 C 13 24.64 0.55 . 2 . . . . 46 Leu CD2 . 17033 1 387 . 1 1 46 46 LEU CG C 13 27.7 0.55 . 1 . . . . 46 Leu CG . 17033 1 388 . 1 1 47 47 SER H H 1 8.238 0.06 . 1 . . . . 47 Ser H . 17033 1 389 . 1 1 47 47 SER CA C 13 59.879 0.55 . 1 . . . . 47 Ser CA . 17033 1 390 . 1 1 47 47 SER N N 15 114.63 0.55 . 1 . . . . 47 Ser N . 17033 1 391 . 1 1 53 53 TYR HA H 1 5.08 0.06 . 1 . . . . 53 Tyr HA . 17033 1 392 . 1 1 53 53 TYR HB2 H 1 3.47 0.06 . 2 . . . . 53 Tyr HB2 . 17033 1 393 . 1 1 53 53 TYR HB3 H 1 3.7 0.06 . 2 . . . . 53 Tyr HB3 . 17033 1 394 . 1 1 53 53 TYR HE1 H 1 6.84 0.06 . 3 . . . . 53 Tyr HE1 . 17033 1 395 . 1 1 53 53 TYR HE2 H 1 6.84 0.06 . 3 . . . . 53 Tyr HE2 . 17033 1 396 . 1 1 53 53 TYR CA C 13 56.4 0.55 . 1 . . . . 53 Tyr CA . 17033 1 397 . 1 1 53 53 TYR CB C 13 43.8 0.55 . 1 . . . . 53 Tyr CB . 17033 1 398 . 1 1 53 53 TYR CE1 C 13 118.4 0.55 . 3 . . . . 53 Tyr CE1 . 17033 1 399 . 1 1 53 53 TYR CE2 C 13 118.4 0.55 . 3 . . . . 53 Tyr CE2 . 17033 1 400 . 1 1 54 54 SER H H 1 8.17 0.06 . 1 . . . . 54 Ser H . 17033 1 401 . 1 1 54 54 SER HA H 1 4.622 0.06 . 1 . . . . 54 Ser HA . 17033 1 402 . 1 1 54 54 SER CA C 13 57.909 0.55 . 1 . . . . 54 Ser CA . 17033 1 403 . 1 1 54 54 SER N N 15 117.6 0.55 . 1 . . . . 54 Ser N . 17033 1 404 . 1 1 55 55 ARG H H 1 8.115 0.06 . 1 . . . . 55 Arg H . 17033 1 405 . 1 1 55 55 ARG HA H 1 5.157 0.06 . 1 . . . . 55 Arg HA . 17033 1 406 . 1 1 55 55 ARG HB2 H 1 1.89 0.06 . 2 . . . . 55 Arg HB2 . 17033 1 407 . 1 1 55 55 ARG HB3 H 1 1.89 0.06 . 2 . . . . 55 Arg HB3 . 17033 1 408 . 1 1 55 55 ARG HD2 H 1 2.911 0.06 . 2 . . . . 55 Arg HD2 . 17033 1 409 . 1 1 55 55 ARG HD3 H 1 2.911 0.06 . 2 . . . . 55 Arg HD3 . 17033 1 410 . 1 1 55 55 ARG CA C 13 55.048 0.55 . 1 . . . . 55 Arg CA . 17033 1 411 . 1 1 55 55 ARG CB C 13 33.9 0.55 . 1 . . . . 55 Arg CB . 17033 1 412 . 1 1 55 55 ARG CD C 13 44.07 0.55 . 1 . . . . 55 Arg CD . 17033 1 413 . 1 1 55 55 ARG CG C 13 25.58 0.55 . 1 . . . . 55 Arg CG . 17033 1 414 . 1 1 55 55 ARG N N 15 115.104 0.55 . 1 . . . . 55 Arg N . 17033 1 415 . 1 1 56 56 ALA H H 1 9.044 0.06 . 1 . . . . 56 Ala H . 17033 1 416 . 1 1 56 56 ALA HA H 1 5.355 0.06 . 1 . . . . 56 Ala HA . 17033 1 417 . 1 1 56 56 ALA HB1 H 1 1.253 0.06 . 1 . . . . 56 Ala HB . 17033 1 418 . 1 1 56 56 ALA HB2 H 1 1.253 0.06 . 1 . . . . 56 Ala HB . 17033 1 419 . 1 1 56 56 ALA HB3 H 1 1.253 0.06 . 1 . . . . 56 Ala HB . 17033 1 420 . 1 1 56 56 ALA CA C 13 50.696 0.55 . 1 . . . . 56 Ala CA . 17033 1 421 . 1 1 56 56 ALA CB C 13 24.231 0.55 . 1 . . . . 56 Ala CB . 17033 1 422 . 1 1 56 56 ALA N N 15 120.189 0.55 . 1 . . . . 56 Ala N . 17033 1 423 . 1 1 57 57 TYR H H 1 8.807 0.06 . 1 . . . . 57 Tyr H . 17033 1 424 . 1 1 57 57 TYR HA H 1 5.528 0.06 . 1 . . . . 57 Tyr HA . 17033 1 425 . 1 1 57 57 TYR HB2 H 1 3.42 0.06 . 2 . . . . 57 Tyr HB2 . 17033 1 426 . 1 1 57 57 TYR HB3 H 1 2.87 0.06 . 2 . . . . 57 Tyr HB3 . 17033 1 427 . 1 1 57 57 TYR HD1 H 1 7.11 0.06 . 3 . . . . 57 Tyr HD1 . 17033 1 428 . 1 1 57 57 TYR HD2 H 1 7.11 0.06 . 3 . . . . 57 Tyr HD2 . 17033 1 429 . 1 1 57 57 TYR HE1 H 1 6.47 0.06 . 3 . . . . 57 Tyr HE1 . 17033 1 430 . 1 1 57 57 TYR HE2 H 1 6.47 0.06 . 3 . . . . 57 Tyr HE2 . 17033 1 431 . 1 1 57 57 TYR CA C 13 56.032 0.55 . 1 . . . . 57 Tyr CA . 17033 1 432 . 1 1 57 57 TYR CB C 13 42.403 0.55 . 1 . . . . 57 Tyr CB . 17033 1 433 . 1 1 57 57 TYR CD1 C 13 132.95 0.55 . 3 . . . . 57 Tyr CD1 . 17033 1 434 . 1 1 57 57 TYR CD2 C 13 132.95 0.55 . 3 . . . . 57 Tyr CD2 . 17033 1 435 . 1 1 57 57 TYR CE1 C 13 118.08 0.55 . 3 . . . . 57 Tyr CE1 . 17033 1 436 . 1 1 57 57 TYR CE2 C 13 118.08 0.55 . 3 . . . . 57 Tyr CE2 . 17033 1 437 . 1 1 57 57 TYR N N 15 118.807 0.55 . 1 . . . . 57 Tyr N . 17033 1 438 . 1 1 58 58 ILE H H 1 8.754 0.06 . 1 . . . . 58 Ile H . 17033 1 439 . 1 1 58 58 ILE HA H 1 4.760 0.06 . 1 . . . . 58 Ile HA . 17033 1 440 . 1 1 58 58 ILE HB H 1 0.841 0.06 . 1 . . . . 58 Ile HB . 17033 1 441 . 1 1 58 58 ILE HD11 H 1 -0.123 0.06 . 1 . . . . 58 Ile HD1 . 17033 1 442 . 1 1 58 58 ILE HD12 H 1 -0.123 0.06 . 1 . . . . 58 Ile HD1 . 17033 1 443 . 1 1 58 58 ILE HD13 H 1 -0.123 0.06 . 1 . . . . 58 Ile HD1 . 17033 1 444 . 1 1 58 58 ILE HG12 H 1 1.017 0.06 . 2 . . . . 58 Ile HG12 . 17033 1 445 . 1 1 58 58 ILE HG13 H 1 0.049 0.06 . 2 . . . . 58 Ile HG13 . 17033 1 446 . 1 1 58 58 ILE HG21 H 1 -0.198 0.06 . 1 . . . . 58 Ile HG2 . 17033 1 447 . 1 1 58 58 ILE HG22 H 1 -0.198 0.06 . 1 . . . . 58 Ile HG2 . 17033 1 448 . 1 1 58 58 ILE HG23 H 1 -0.198 0.06 . 1 . . . . 58 Ile HG2 . 17033 1 449 . 1 1 58 58 ILE CA C 13 59.932 0.55 . 1 . . . . 58 Ile CA . 17033 1 450 . 1 1 58 58 ILE CB C 13 42.307 0.55 . 1 . . . . 58 Ile CB . 17033 1 451 . 1 1 58 58 ILE CD1 C 13 14.28 0.55 . 1 . . . . 58 Ile CD1 . 17033 1 452 . 1 1 58 58 ILE CG1 C 13 27.297 0.55 . 1 . . . . 58 Ile CG1 . 17033 1 453 . 1 1 58 58 ILE CG2 C 13 16.71 0.55 . 1 . . . . 58 Ile CG2 . 17033 1 454 . 1 1 58 58 ILE N N 15 119.742 0.55 . 1 . . . . 58 Ile N . 17033 1 455 . 1 1 59 59 ASN H H 1 8.569 0.06 . 1 . . . . 59 Asn H . 17033 1 456 . 1 1 59 59 ASN HA H 1 5.305 0.06 . 1 . . . . 59 Asn HA . 17033 1 457 . 1 1 59 59 ASN HB2 H 1 3.228 0.06 . 2 . . . . 59 Asn HB2 . 17033 1 458 . 1 1 59 59 ASN HB3 H 1 2.101 0.06 . 2 . . . . 59 Asn HB3 . 17033 1 459 . 1 1 59 59 ASN HD21 H 1 7.47 0.06 . 2 . . . . 59 Asn HD21 . 17033 1 460 . 1 1 59 59 ASN HD22 H 1 6.77 0.06 . 2 . . . . 59 Asn HD22 . 17033 1 461 . 1 1 59 59 ASN CA C 13 52.495 0.55 . 1 . . . . 59 Asn CA . 17033 1 462 . 1 1 59 59 ASN CB C 13 42.139 0.55 . 1 . . . . 59 Asn CB . 17033 1 463 . 1 1 59 59 ASN N N 15 125.611 0.55 . 1 . . . . 59 Asn N . 17033 1 464 . 1 1 59 59 ASN ND2 N 15 112.6 0.55 . 1 . . . . 59 Asn ND2 . 17033 1 465 . 1 1 60 60 PHE H H 1 8.362 0.06 . 1 . . . . 60 Phe H . 17033 1 466 . 1 1 60 60 PHE HA H 1 4.726 0.06 . 1 . . . . 60 Phe HA . 17033 1 467 . 1 1 60 60 PHE HB2 H 1 2.662 0.06 . 2 . . . . 60 Phe HB2 . 17033 1 468 . 1 1 60 60 PHE HB3 H 1 2.662 0.06 . 2 . . . . 60 Phe HB3 . 17033 1 469 . 1 1 60 60 PHE HD1 H 1 7.276 0.06 . 3 . . . . 60 Phe HD1 . 17033 1 470 . 1 1 60 60 PHE HD2 H 1 7.276 0.06 . 3 . . . . 60 Phe HD2 . 17033 1 471 . 1 1 60 60 PHE HE1 H 1 6.651 0.06 . 3 . . . . 60 Phe HE1 . 17033 1 472 . 1 1 60 60 PHE HE2 H 1 6.651 0.06 . 3 . . . . 60 Phe HE2 . 17033 1 473 . 1 1 60 60 PHE CA C 13 58.909 0.55 . 1 . . . . 60 Phe CA . 17033 1 474 . 1 1 60 60 PHE CB C 13 39.7 0.55 . 1 . . . . 60 Phe CB . 17033 1 475 . 1 1 60 60 PHE CD1 C 13 131.25 0.55 . 3 . . . . 60 Phe CD1 . 17033 1 476 . 1 1 60 60 PHE CD2 C 13 131.25 0.55 . 3 . . . . 60 Phe CD2 . 17033 1 477 . 1 1 60 60 PHE CE1 C 13 130.73 0.55 . 3 . . . . 60 Phe CE1 . 17033 1 478 . 1 1 60 60 PHE CE2 C 13 130.73 0.55 . 3 . . . . 60 Phe CE2 . 17033 1 479 . 1 1 60 60 PHE N N 15 124.936 0.55 . 1 . . . . 60 Phe N . 17033 1 480 . 1 1 61 61 ARG H H 1 7.959 0.06 . 1 . . . . 61 Arg H . 17033 1 481 . 1 1 61 61 ARG HA H 1 4.234 0.06 . 1 . . . . 61 Arg HA . 17033 1 482 . 1 1 61 61 ARG HB2 H 1 1.843 0.06 . 2 . . . . 61 Arg HB2 . 17033 1 483 . 1 1 61 61 ARG HB3 H 1 1.547 0.06 . 2 . . . . 61 Arg HB3 . 17033 1 484 . 1 1 61 61 ARG HD2 H 1 3.145 0.06 . 2 . . . . 61 Arg HD2 . 17033 1 485 . 1 1 61 61 ARG HD3 H 1 3.074 0.06 . 2 . . . . 61 Arg HD3 . 17033 1 486 . 1 1 61 61 ARG HG2 H 1 1.458 0.06 . 2 . . . . 61 Arg HG2 . 17033 1 487 . 1 1 61 61 ARG HG3 H 1 1.458 0.06 . 2 . . . . 61 Arg HG3 . 17033 1 488 . 1 1 61 61 ARG CA C 13 58.175 0.55 . 1 . . . . 61 Arg CA . 17033 1 489 . 1 1 61 61 ARG CB C 13 30.535 0.55 . 1 . . . . 61 Arg CB . 17033 1 490 . 1 1 61 61 ARG CD C 13 42.776 0.55 . 1 . . . . 61 Arg CD . 17033 1 491 . 1 1 61 61 ARG CG C 13 27.78 0.55 . 1 . . . . 61 Arg CG . 17033 1 492 . 1 1 61 61 ARG N N 15 118.956 0.55 . 1 . . . . 61 Arg N . 17033 1 493 . 1 1 62 62 ASN H H 1 9.219 0.06 . 1 . . . . 62 Asn H . 17033 1 494 . 1 1 62 62 ASN HA H 1 5.154 0.06 . 1 . . . . 62 Asn HA . 17033 1 495 . 1 1 62 62 ASN HB2 H 1 3.157 0.06 . 2 . . . . 62 Asn HB2 . 17033 1 496 . 1 1 62 62 ASN HB3 H 1 2.737 0.06 . 2 . . . . 62 Asn HB3 . 17033 1 497 . 1 1 62 62 ASN HD21 H 1 7.52 0.06 . 2 . . . . 62 Asn HD21 . 17033 1 498 . 1 1 62 62 ASN HD22 H 1 7.12 0.06 . 2 . . . . 62 Asn HD22 . 17033 1 499 . 1 1 62 62 ASN CA C 13 49.332 0.55 . 1 . . . . 62 Asn CA . 17033 1 500 . 1 1 62 62 ASN CB C 13 39.421 0.55 . 1 . . . . 62 Asn CB . 17033 1 501 . 1 1 62 62 ASN N N 15 118.223 0.55 . 1 . . . . 62 Asn N . 17033 1 502 . 1 1 62 62 ASN ND2 N 15 113.0 0.55 . 1 . . . . 62 Asn ND2 . 17033 1 503 . 1 1 63 63 PRO HA H 1 3.901 0.06 . 1 . . . . 63 Pro HA . 17033 1 504 . 1 1 63 63 PRO HB2 H 1 1.864 0.06 . 2 . . . . 63 Pro HB2 . 17033 1 505 . 1 1 63 63 PRO HB3 H 1 1.864 0.06 . 2 . . . . 63 Pro HB3 . 17033 1 506 . 1 1 63 63 PRO HD2 H 1 3.918 0.06 . 2 . . . . 63 Pro HD2 . 17033 1 507 . 1 1 63 63 PRO HD3 H 1 3.562 0.06 . 2 . . . . 63 Pro HD3 . 17033 1 508 . 1 1 63 63 PRO HG2 H 1 1.877 0.06 . 2 . . . . 63 Pro HG2 . 17033 1 509 . 1 1 63 63 PRO HG3 H 1 1.668 0.06 . 2 . . . . 63 Pro HG3 . 17033 1 510 . 1 1 63 63 PRO CA C 13 64.844 0.55 . 1 . . . . 63 Pro CA . 17033 1 511 . 1 1 63 63 PRO CB C 13 31.599 0.55 . 1 . . . . 63 Pro CB . 17033 1 512 . 1 1 63 63 PRO CD C 13 50.95 0.55 . 1 . . . . 63 Pro CD . 17033 1 513 . 1 1 63 63 PRO CG C 13 27.230 0.55 . 1 . . . . 63 Pro CG . 17033 1 514 . 1 1 64 64 ASP H H 1 8.227 0.06 . 1 . . . . 64 Asp H . 17033 1 515 . 1 1 64 64 ASP HA H 1 4.332 0.06 . 1 . . . . 64 Asp HA . 17033 1 516 . 1 1 64 64 ASP HB2 H 1 2.639 0.06 . 2 . . . . 64 Asp HB2 . 17033 1 517 . 1 1 64 64 ASP HB3 H 1 2.432 0.06 . 2 . . . . 64 Asp HB3 . 17033 1 518 . 1 1 64 64 ASP CA C 13 57.06 0.55 . 1 . . . . 64 Asp CA . 17033 1 519 . 1 1 64 64 ASP CB C 13 39.862 0.55 . 1 . . . . 64 Asp CB . 17033 1 520 . 1 1 64 64 ASP N N 15 118.118 0.55 . 1 . . . . 64 Asp N . 17033 1 521 . 1 1 65 65 ASP H H 1 7.791 0.06 . 1 . . . . 65 Asp H . 17033 1 522 . 1 1 65 65 ASP HA H 1 4.498 0.06 . 1 . . . . 65 Asp HA . 17033 1 523 . 1 1 65 65 ASP HB2 H 1 2.806 0.06 . 2 . . . . 65 Asp HB2 . 17033 1 524 . 1 1 65 65 ASP HB3 H 1 2.084 0.06 . 2 . . . . 65 Asp HB3 . 17033 1 525 . 1 1 65 65 ASP CA C 13 56.729 0.55 . 1 . . . . 65 Asp CA . 17033 1 526 . 1 1 65 65 ASP CB C 13 40.517 0.55 . 1 . . . . 65 Asp CB . 17033 1 527 . 1 1 65 65 ASP N N 15 117.848 0.55 . 1 . . . . 65 Asp N . 17033 1 528 . 1 1 66 66 ILE H H 1 7.308 0.06 . 1 . . . . 66 Ile H . 17033 1 529 . 1 1 66 66 ILE HA H 1 3.271 0.06 . 1 . . . . 66 Ile HA . 17033 1 530 . 1 1 66 66 ILE HB H 1 1.774 0.06 . 1 . . . . 66 Ile HB . 17033 1 531 . 1 1 66 66 ILE HD11 H 1 0.780 0.06 . 1 . . . . 66 Ile HD1 . 17033 1 532 . 1 1 66 66 ILE HD12 H 1 0.780 0.06 . 1 . . . . 66 Ile HD1 . 17033 1 533 . 1 1 66 66 ILE HD13 H 1 0.780 0.06 . 1 . . . . 66 Ile HD1 . 17033 1 534 . 1 1 66 66 ILE HG12 H 1 1.482 0.06 . 2 . . . . 66 Ile HG12 . 17033 1 535 . 1 1 66 66 ILE HG13 H 1 0.791 0.06 . 2 . . . . 66 Ile HG13 . 17033 1 536 . 1 1 66 66 ILE HG21 H 1 0.565 0.06 . 1 . . . . 66 Ile HG2 . 17033 1 537 . 1 1 66 66 ILE HG22 H 1 0.565 0.06 . 1 . . . . 66 Ile HG2 . 17033 1 538 . 1 1 66 66 ILE HG23 H 1 0.565 0.06 . 1 . . . . 66 Ile HG2 . 17033 1 539 . 1 1 66 66 ILE CA C 13 66.061 0.55 . 1 . . . . 66 Ile CA . 17033 1 540 . 1 1 66 66 ILE CB C 13 37.744 0.55 . 1 . . . . 66 Ile CB . 17033 1 541 . 1 1 66 66 ILE CD1 C 13 14.21 0.55 . 1 . . . . 66 Ile CD1 . 17033 1 542 . 1 1 66 66 ILE CG1 C 13 29.190 0.55 . 1 . . . . 66 Ile CG1 . 17033 1 543 . 1 1 66 66 ILE CG2 C 13 16.96 0.55 . 1 . . . . 66 Ile CG2 . 17033 1 544 . 1 1 66 66 ILE N N 15 119.036 0.55 . 1 . . . . 66 Ile N . 17033 1 545 . 1 1 67 67 LEU H H 1 7.135 0.06 . 1 . . . . 67 Leu H . 17033 1 546 . 1 1 67 67 LEU HA H 1 3.995 0.06 . 1 . . . . 67 Leu HA . 17033 1 547 . 1 1 67 67 LEU HB2 H 1 1.754 0.06 . 2 . . . . 67 Leu HB2 . 17033 1 548 . 1 1 67 67 LEU HB3 H 1 1.651 0.06 . 2 . . . . 67 Leu HB3 . 17033 1 549 . 1 1 67 67 LEU HD11 H 1 0.937 0.06 . 2 . . . . 67 Leu HD1 . 17033 1 550 . 1 1 67 67 LEU HD12 H 1 0.937 0.06 . 2 . . . . 67 Leu HD1 . 17033 1 551 . 1 1 67 67 LEU HD13 H 1 0.937 0.06 . 2 . . . . 67 Leu HD1 . 17033 1 552 . 1 1 67 67 LEU HD21 H 1 0.857 0.06 . 2 . . . . 67 Leu HD2 . 17033 1 553 . 1 1 67 67 LEU HD22 H 1 0.857 0.06 . 2 . . . . 67 Leu HD2 . 17033 1 554 . 1 1 67 67 LEU HD23 H 1 0.857 0.06 . 2 . . . . 67 Leu HD2 . 17033 1 555 . 1 1 67 67 LEU HG H 1 1.676 0.06 . 1 . . . . 67 Leu HG . 17033 1 556 . 1 1 67 67 LEU CA C 13 57.955 0.55 . 1 . . . . 67 Leu CA . 17033 1 557 . 1 1 67 67 LEU CB C 13 40.98 0.55 . 1 . . . . 67 Leu CB . 17033 1 558 . 1 1 67 67 LEU CD1 C 13 25.03 0.55 . 2 . . . . 67 Leu CD1 . 17033 1 559 . 1 1 67 67 LEU CD2 C 13 23.19 0.55 . 2 . . . . 67 Leu CD2 . 17033 1 560 . 1 1 67 67 LEU CG C 13 27.43 0.55 . 1 . . . . 67 Leu CG . 17033 1 561 . 1 1 67 67 LEU N N 15 117.748 0.55 . 1 . . . . 67 Leu N . 17033 1 562 . 1 1 68 68 LEU H H 1 6.999 0.06 . 1 . . . . 68 Leu H . 17033 1 563 . 1 1 68 68 LEU HA H 1 4.115 0.06 . 1 . . . . 68 Leu HA . 17033 1 564 . 1 1 68 68 LEU HB2 H 1 1.752 0.06 . 1 . . . . 68 Leu HB2 . 17033 1 565 . 1 1 68 68 LEU HB3 H 1 1.621 0.06 . 1 . . . . 68 Leu HB3 . 17033 1 566 . 1 1 68 68 LEU HD11 H 1 0.77 0.06 . 2 . . . . 68 Leu HD1 . 17033 1 567 . 1 1 68 68 LEU HD12 H 1 0.77 0.06 . 2 . . . . 68 Leu HD1 . 17033 1 568 . 1 1 68 68 LEU HD13 H 1 0.77 0.06 . 2 . . . . 68 Leu HD1 . 17033 1 569 . 1 1 68 68 LEU HD21 H 1 0.865 0.06 . 2 . . . . 68 Leu HD2 . 17033 1 570 . 1 1 68 68 LEU HD22 H 1 0.865 0.06 . 2 . . . . 68 Leu HD2 . 17033 1 571 . 1 1 68 68 LEU HD23 H 1 0.865 0.06 . 2 . . . . 68 Leu HD2 . 17033 1 572 . 1 1 68 68 LEU HG H 1 1.67 0.06 . 1 . . . . 68 Leu HG . 17033 1 573 . 1 1 68 68 LEU CA C 13 57.65 0.55 . 1 . . . . 68 Leu CA . 17033 1 574 . 1 1 68 68 LEU CB C 13 41.885 0.55 . 1 . . . . 68 Leu CB . 17033 1 575 . 1 1 68 68 LEU CD1 C 13 24.9 0.55 . 2 . . . . 68 Leu CD1 . 17033 1 576 . 1 1 68 68 LEU CD2 C 13 23.67 0.55 . 2 . . . . 68 Leu CD2 . 17033 1 577 . 1 1 68 68 LEU CG C 13 27.23 0.55 . 1 . . . . 68 Leu CG . 17033 1 578 . 1 1 68 68 LEU N N 15 117.757 0.55 . 1 . . . . 68 Leu N . 17033 1 579 . 1 1 69 69 PHE H H 1 8.070 0.06 . 1 . . . . 69 Phe H . 17033 1 580 . 1 1 69 69 PHE HA H 1 4.175 0.06 . 1 . . . . 69 Phe HA . 17033 1 581 . 1 1 69 69 PHE HB2 H 1 3.135 0.06 . 2 . . . . 69 Phe HB2 . 17033 1 582 . 1 1 69 69 PHE HB3 H 1 3.038 0.06 . 2 . . . . 69 Phe HB3 . 17033 1 583 . 1 1 69 69 PHE HD1 H 1 7.26 0.06 . 3 . . . . 69 Phe HD1 . 17033 1 584 . 1 1 69 69 PHE HD2 H 1 7.26 0.06 . 3 . . . . 69 Phe HD2 . 17033 1 585 . 1 1 69 69 PHE HE1 H 1 6.661 0.06 . 3 . . . . 69 Phe HE1 . 17033 1 586 . 1 1 69 69 PHE HE2 H 1 6.661 0.06 . 3 . . . . 69 Phe HE2 . 17033 1 587 . 1 1 69 69 PHE CA C 13 62.082 0.55 . 1 . . . . 69 Phe CA . 17033 1 588 . 1 1 69 69 PHE CB C 13 40.355 0.55 . 1 . . . . 69 Phe CB . 17033 1 589 . 1 1 69 69 PHE CD1 C 13 131.99 0.55 . 3 . . . . 69 Phe CD1 . 17033 1 590 . 1 1 69 69 PHE CD2 C 13 131.99 0.55 . 3 . . . . 69 Phe CD2 . 17033 1 591 . 1 1 69 69 PHE CE1 C 13 130.68 0.55 . 3 . . . . 69 Phe CE1 . 17033 1 592 . 1 1 69 69 PHE CE2 C 13 130.68 0.55 . 3 . . . . 69 Phe CE2 . 17033 1 593 . 1 1 69 69 PHE N N 15 120.401 0.55 . 1 . . . . 69 Phe N . 17033 1 594 . 1 1 70 70 ARG H H 1 8.589 0.06 . 1 . . . . 70 Arg H . 17033 1 595 . 1 1 70 70 ARG HA H 1 3.772 0.06 . 1 . . . . 70 Arg HA . 17033 1 596 . 1 1 70 70 ARG HB2 H 1 2.207 0.06 . 2 . . . . 70 Arg HB2 . 17033 1 597 . 1 1 70 70 ARG HB3 H 1 1.87 0.06 . 2 . . . . 70 Arg HB3 . 17033 1 598 . 1 1 70 70 ARG HD2 H 1 3.108 0.06 . 2 . . . . 70 Arg HD2 . 17033 1 599 . 1 1 70 70 ARG HD3 H 1 3.108 0.06 . 2 . . . . 70 Arg HD3 . 17033 1 600 . 1 1 70 70 ARG HG2 H 1 1.796 0.06 . 2 . . . . 70 Arg HG2 . 17033 1 601 . 1 1 70 70 ARG HG3 H 1 1.796 0.06 . 2 . . . . 70 Arg HG3 . 17033 1 602 . 1 1 70 70 ARG CA C 13 60.560 0.55 . 1 . . . . 70 Arg CA . 17033 1 603 . 1 1 70 70 ARG CB C 13 29.606 0.55 . 1 . . . . 70 Arg CB . 17033 1 604 . 1 1 70 70 ARG CD C 13 43.29 0.55 . 1 . . . . 70 Arg CD . 17033 1 605 . 1 1 70 70 ARG CG C 13 27.29 0.55 . 1 . . . . 70 Arg CG . 17033 1 606 . 1 1 70 70 ARG N N 15 119.671 0.55 . 1 . . . . 70 Arg N . 17033 1 607 . 1 1 71 71 ASP H H 1 8.292 0.06 . 1 . . . . 71 Asp H . 17033 1 608 . 1 1 71 71 ASP HA H 1 4.323 0.06 . 1 . . . . 71 Asp HA . 17033 1 609 . 1 1 71 71 ASP HB2 H 1 2.774 0.06 . 2 . . . . 71 Asp HB2 . 17033 1 610 . 1 1 71 71 ASP HB3 H 1 2.563 0.06 . 2 . . . . 71 Asp HB3 . 17033 1 611 . 1 1 71 71 ASP CA C 13 57.06 0.55 . 1 . . . . 71 Asp CA . 17033 1 612 . 1 1 71 71 ASP CB C 13 40.149 0.55 . 1 . . . . 71 Asp CB . 17033 1 613 . 1 1 71 71 ASP N N 15 117.865 0.55 . 1 . . . . 71 Asp N . 17033 1 614 . 1 1 72 72 ARG H H 1 7.533 0.06 . 1 . . . . 72 Arg H . 17033 1 615 . 1 1 72 72 ARG HA H 1 3.810 0.06 . 1 . . . . 72 Arg HA . 17033 1 616 . 1 1 72 72 ARG HB2 H 1 1.381 0.06 . 2 . . . . 72 Arg HB2 . 17033 1 617 . 1 1 72 72 ARG HB3 H 1 0.977 0.06 . 2 . . . . 72 Arg HB3 . 17033 1 618 . 1 1 72 72 ARG HD2 H 1 2.899 0.06 . 2 . . . . 72 Arg HD2 . 17033 1 619 . 1 1 72 72 ARG HD3 H 1 2.733 0.06 . 2 . . . . 72 Arg HD3 . 17033 1 620 . 1 1 72 72 ARG HG2 H 1 1.178 0.06 . 2 . . . . 72 Arg HG2 . 17033 1 621 . 1 1 72 72 ARG HG3 H 1 0.402 0.06 . 2 . . . . 72 Arg HG3 . 17033 1 622 . 1 1 72 72 ARG CA C 13 58.708 0.55 . 1 . . . . 72 Arg CA . 17033 1 623 . 1 1 72 72 ARG CB C 13 31.232 0.55 . 1 . . . . 72 Arg CB . 17033 1 624 . 1 1 72 72 ARG CD C 13 43.8 0.55 . 1 . . . . 72 Arg CD . 17033 1 625 . 1 1 72 72 ARG CG C 13 26.9 0.55 . 1 . . . . 72 Arg CG . 17033 1 626 . 1 1 72 72 ARG N N 15 117.536 0.55 . 1 . . . . 72 Arg N . 17033 1 627 . 1 1 73 73 PHE H H 1 7.788 0.06 . 1 . . . . 73 Phe H . 17033 1 628 . 1 1 73 73 PHE HA H 1 4.652 0.06 . 1 . . . . 73 Phe HA . 17033 1 629 . 1 1 73 73 PHE HB2 H 1 2.794 0.06 . 2 . . . . 73 Phe HB2 . 17033 1 630 . 1 1 73 73 PHE HB3 H 1 1.851 0.06 . 2 . . . . 73 Phe HB3 . 17033 1 631 . 1 1 73 73 PHE HD1 H 1 6.103 0.06 . 3 . . . . 73 Phe HD1 . 17033 1 632 . 1 1 73 73 PHE HD2 H 1 6.103 0.06 . 3 . . . . 73 Phe HD2 . 17033 1 633 . 1 1 73 73 PHE HE1 H 1 6.578 0.06 . 3 . . . . 73 Phe HE1 . 17033 1 634 . 1 1 73 73 PHE HE2 H 1 6.578 0.06 . 3 . . . . 73 Phe HE2 . 17033 1 635 . 1 1 73 73 PHE CA C 13 60.279 0.55 . 1 . . . . 73 Phe CA . 17033 1 636 . 1 1 73 73 PHE CB C 13 40.644 0.55 . 1 . . . . 73 Phe CB . 17033 1 637 . 1 1 73 73 PHE CD1 C 13 131.779 0.55 . 3 . . . . 73 Phe CD1 . 17033 1 638 . 1 1 73 73 PHE CD2 C 13 131.779 0.55 . 3 . . . . 73 Phe CD2 . 17033 1 639 . 1 1 73 73 PHE CE1 C 13 134.3 0.55 . 3 . . . . 73 Phe CE1 . 17033 1 640 . 1 1 73 73 PHE CE2 C 13 134.3 0.55 . 3 . . . . 73 Phe CE2 . 17033 1 641 . 1 1 73 73 PHE N N 15 112.378 0.55 . 1 . . . . 73 Phe N . 17033 1 642 . 1 1 74 74 ASP H H 1 8.762 0.06 . 1 . . . . 74 Asp H . 17033 1 643 . 1 1 74 74 ASP HA H 1 4.534 0.06 . 1 . . . . 74 Asp HA . 17033 1 644 . 1 1 74 74 ASP HB2 H 1 2.74 0.06 . 1 . . . . 74 Asp HB2 . 17033 1 645 . 1 1 74 74 ASP HB3 H 1 2.80 0.06 . 1 . . . . 74 Asp HB3 . 17033 1 646 . 1 1 74 74 ASP CA C 13 57.706 0.55 . 1 . . . . 74 Asp CA . 17033 1 647 . 1 1 74 74 ASP CB C 13 41.37 0.55 . 1 . . . . 74 Asp CB . 17033 1 648 . 1 1 74 74 ASP N N 15 122.329 0.55 . 1 . . . . 74 Asp N . 17033 1 649 . 1 1 75 75 GLY H H 1 8.912 0.06 . 1 . . . . 75 Gly H . 17033 1 650 . 1 1 75 75 GLY HA2 H 1 4.240 0.06 . 2 . . . . 75 Gly HA2 . 17033 1 651 . 1 1 75 75 GLY HA3 H 1 3.658 0.06 . 2 . . . . 75 Gly HA3 . 17033 1 652 . 1 1 75 75 GLY CA C 13 45.787 0.55 . 1 . . . . 75 Gly CA . 17033 1 653 . 1 1 75 75 GLY N N 15 118.705 0.55 . 1 . . . . 75 Gly N . 17033 1 654 . 1 1 76 76 TYR H H 1 8.027 0.06 . 1 . . . . 76 Tyr H . 17033 1 655 . 1 1 76 76 TYR HA H 1 4.041 0.06 . 1 . . . . 76 Tyr HA . 17033 1 656 . 1 1 76 76 TYR HB2 H 1 3.125 0.06 . 2 . . . . 76 Tyr HB2 . 17033 1 657 . 1 1 76 76 TYR HB3 H 1 3.125 0.06 . 2 . . . . 76 Tyr HB3 . 17033 1 658 . 1 1 76 76 TYR HD1 H 1 6.585 0.06 . 3 . . . . 76 Tyr HD1 . 17033 1 659 . 1 1 76 76 TYR HD2 H 1 6.585 0.06 . 3 . . . . 76 Tyr HD2 . 17033 1 660 . 1 1 76 76 TYR HE1 H 1 6.316 0.06 . 3 . . . . 76 Tyr HE1 . 17033 1 661 . 1 1 76 76 TYR HE2 H 1 6.316 0.06 . 3 . . . . 76 Tyr HE2 . 17033 1 662 . 1 1 76 76 TYR CA C 13 59.236 0.55 . 1 . . . . 76 Tyr CA . 17033 1 663 . 1 1 76 76 TYR CB C 13 40.304 0.55 . 1 . . . . 76 Tyr CB . 17033 1 664 . 1 1 76 76 TYR CD1 C 13 134.17 0.55 . 3 . . . . 76 Tyr CD1 . 17033 1 665 . 1 1 76 76 TYR CD2 C 13 134.17 0.55 . 3 . . . . 76 Tyr CD2 . 17033 1 666 . 1 1 76 76 TYR CE1 C 13 117.3 0.55 . 3 . . . . 76 Tyr CE1 . 17033 1 667 . 1 1 76 76 TYR CE2 C 13 117.3 0.55 . 3 . . . . 76 Tyr CE2 . 17033 1 668 . 1 1 76 76 TYR N N 15 123.833 0.55 . 1 . . . . 76 Tyr N . 17033 1 669 . 1 1 77 77 ILE H H 1 7.64 0.06 . 1 . . . . 77 Ile H . 17033 1 670 . 1 1 77 77 ILE HA H 1 3.965 0.06 . 1 . . . . 77 Ile HA . 17033 1 671 . 1 1 77 77 ILE HB H 1 1.555 0.06 . 1 . . . . 77 Ile HB . 17033 1 672 . 1 1 77 77 ILE HD11 H 1 0.729 0.06 . 1 . . . . 77 Ile HD1 . 17033 1 673 . 1 1 77 77 ILE HD12 H 1 0.729 0.06 . 1 . . . . 77 Ile HD1 . 17033 1 674 . 1 1 77 77 ILE HD13 H 1 0.729 0.06 . 1 . . . . 77 Ile HD1 . 17033 1 675 . 1 1 77 77 ILE HG12 H 1 1.603 0.06 . 2 . . . . 77 Ile HG12 . 17033 1 676 . 1 1 77 77 ILE HG13 H 1 0.974 0.06 . 2 . . . . 77 Ile HG13 . 17033 1 677 . 1 1 77 77 ILE HG21 H 1 0.679 0.06 . 1 . . . . 77 Ile HG2 . 17033 1 678 . 1 1 77 77 ILE HG22 H 1 0.679 0.06 . 1 . . . . 77 Ile HG2 . 17033 1 679 . 1 1 77 77 ILE HG23 H 1 0.679 0.06 . 1 . . . . 77 Ile HG2 . 17033 1 680 . 1 1 77 77 ILE CA C 13 61.833 0.55 . 1 . . . . 77 Ile CA . 17033 1 681 . 1 1 77 77 ILE CB C 13 37.189 0.55 . 1 . . . . 77 Ile CB . 17033 1 682 . 1 1 77 77 ILE CD1 C 13 12.02 0.55 . 1 . . . . 77 Ile CD1 . 17033 1 683 . 1 1 77 77 ILE CG1 C 13 28.141 0.55 . 1 . . . . 77 Ile CG1 . 17033 1 684 . 1 1 77 77 ILE CG2 C 13 18.16 0.55 . 1 . . . . 77 Ile CG2 . 17033 1 685 . 1 1 77 77 ILE N N 15 127.127 0.55 . 1 . . . . 77 Ile N . 17033 1 686 . 1 1 78 78 PHE H H 1 8.372 0.06 . 1 . . . . 78 Phe H . 17033 1 687 . 1 1 78 78 PHE HA H 1 4.601 0.06 . 1 . . . . 78 Phe HA . 17033 1 688 . 1 1 78 78 PHE HB2 H 1 3.264 0.06 . 2 . . . . 78 Phe HB2 . 17033 1 689 . 1 1 78 78 PHE HB3 H 1 2.907 0.06 . 2 . . . . 78 Phe HB3 . 17033 1 690 . 1 1 78 78 PHE HD1 H 1 7.602 0.06 . 3 . . . . 78 Phe HD1 . 17033 1 691 . 1 1 78 78 PHE HD2 H 1 7.602 0.06 . 3 . . . . 78 Phe HD2 . 17033 1 692 . 1 1 78 78 PHE CA C 13 57.652 0.55 . 1 . . . . 78 Phe CA . 17033 1 693 . 1 1 78 78 PHE CB C 13 41.676 0.55 . 1 . . . . 78 Phe CB . 17033 1 694 . 1 1 78 78 PHE CD1 C 13 132.625 0.55 . 3 . . . . 78 Phe CD1 . 17033 1 695 . 1 1 78 78 PHE CD2 C 13 132.625 0.55 . 3 . . . . 78 Phe CD2 . 17033 1 696 . 1 1 78 78 PHE N N 15 128.546 0.55 . 1 . . . . 78 Phe N . 17033 1 697 . 1 1 79 79 LEU H H 1 8.832 0.06 . 1 . . . . 79 Leu H . 17033 1 698 . 1 1 79 79 LEU HA H 1 5.68 0.06 . 1 . . . . 79 Leu HA . 17033 1 699 . 1 1 79 79 LEU HB2 H 1 1.762 0.06 . 2 . . . . 79 Leu HB2 . 17033 1 700 . 1 1 79 79 LEU HB3 H 1 1.534 0.06 . 2 . . . . 79 Leu HB3 . 17033 1 701 . 1 1 79 79 LEU HD11 H 1 0.886 0.06 . 2 . . . . 79 Leu HD1 . 17033 1 702 . 1 1 79 79 LEU HD12 H 1 0.886 0.06 . 2 . . . . 79 Leu HD1 . 17033 1 703 . 1 1 79 79 LEU HD13 H 1 0.886 0.06 . 2 . . . . 79 Leu HD1 . 17033 1 704 . 1 1 79 79 LEU HD21 H 1 0.759 0.06 . 2 . . . . 79 Leu HD2 . 17033 1 705 . 1 1 79 79 LEU HD22 H 1 0.759 0.06 . 2 . . . . 79 Leu HD2 . 17033 1 706 . 1 1 79 79 LEU HD23 H 1 0.759 0.06 . 2 . . . . 79 Leu HD2 . 17033 1 707 . 1 1 79 79 LEU HG H 1 1.611 0.06 . 1 . . . . 79 Leu HG . 17033 1 708 . 1 1 79 79 LEU CA C 13 53.524 0.55 . 1 . . . . 79 Leu CA . 17033 1 709 . 1 1 79 79 LEU CB C 13 45.29 0.55 . 1 . . . . 79 Leu CB . 17033 1 710 . 1 1 79 79 LEU CD1 C 13 25.5 0.55 . 2 . . . . 79 Leu CD1 . 17033 1 711 . 1 1 79 79 LEU CD2 C 13 24.7 0.55 . 2 . . . . 79 Leu CD2 . 17033 1 712 . 1 1 79 79 LEU CG C 13 27.32 0.55 . 1 . . . . 79 Leu CG . 17033 1 713 . 1 1 79 79 LEU N N 15 121.48 0.55 . 1 . . . . 79 Leu N . 17033 1 714 . 1 1 80 80 ASP H H 1 8.421 0.06 . 1 . . . . 80 Asp H . 17033 1 715 . 1 1 80 80 ASP HA H 1 4.85 0.06 . 1 . . . . 80 Asp HA . 17033 1 716 . 1 1 80 80 ASP HB2 H 1 3.5 0.06 . 2 . . . . 80 Asp HB2 . 17033 1 717 . 1 1 80 80 ASP HB3 H 1 2.7 0.06 . 2 . . . . 80 Asp HB3 . 17033 1 718 . 1 1 80 80 ASP CA C 13 52.011 0.55 . 1 . . . . 80 Asp CA . 17033 1 719 . 1 1 80 80 ASP CB C 13 42.57 0.55 . 1 . . . . 80 Asp CB . 17033 1 720 . 1 1 80 80 ASP N N 15 120.668 0.55 . 1 . . . . 80 Asp N . 17033 1 721 . 1 1 81 81 SER HA H 1 4.215 0.06 . 1 . . . . 81 Ser HA . 17033 1 722 . 1 1 81 81 SER HB2 H 1 4.031 0.06 . 2 . . . . 81 Ser HB2 . 17033 1 723 . 1 1 81 81 SER HB3 H 1 3.991 0.06 . 2 . . . . 81 Ser HB3 . 17033 1 724 . 1 1 81 81 SER CA C 13 60.73 0.55 . 1 . . . . 81 Ser CA . 17033 1 725 . 1 1 81 81 SER CB C 13 63.159 0.55 . 1 . . . . 81 Ser CB . 17033 1 726 . 1 1 82 82 LYS H H 1 8.155 0.06 . 1 . . . . 82 Lys H . 17033 1 727 . 1 1 82 82 LYS HA H 1 4.541 0.06 . 1 . . . . 82 Lys HA . 17033 1 728 . 1 1 82 82 LYS HB2 H 1 1.999 0.06 . 2 . . . . 82 Lys HB2 . 17033 1 729 . 1 1 82 82 LYS HB3 H 1 1.999 0.06 . 2 . . . . 82 Lys HB3 . 17033 1 730 . 1 1 82 82 LYS HD2 H 1 1.689 0.06 . 2 . . . . 82 Lys HD2 . 17033 1 731 . 1 1 82 82 LYS HD3 H 1 1.689 0.06 . 2 . . . . 82 Lys HD3 . 17033 1 732 . 1 1 82 82 LYS HE2 H 1 2.999 0.06 . 2 . . . . 82 Lys HE2 . 17033 1 733 . 1 1 82 82 LYS HE3 H 1 2.999 0.06 . 2 . . . . 82 Lys HE3 . 17033 1 734 . 1 1 82 82 LYS HG2 H 1 1.446 0.06 . 2 . . . . 82 Lys HG2 . 17033 1 735 . 1 1 82 82 LYS HG3 H 1 1.446 0.06 . 2 . . . . 82 Lys HG3 . 17033 1 736 . 1 1 82 82 LYS CA C 13 55.6 0.55 . 1 . . . . 82 Lys CA . 17033 1 737 . 1 1 82 82 LYS CB C 13 32.566 0.55 . 1 . . . . 82 Lys CB . 17033 1 738 . 1 1 82 82 LYS CD C 13 28.79 0.55 . 1 . . . . 82 Lys CD . 17033 1 739 . 1 1 82 82 LYS CE C 13 42.29 0.55 . 1 . . . . 82 Lys CE . 17033 1 740 . 1 1 82 82 LYS CG C 13 24.954 0.55 . 1 . . . . 82 Lys CG . 17033 1 741 . 1 1 82 82 LYS N N 15 120.795 0.55 . 1 . . . . 82 Lys N . 17033 1 742 . 1 1 83 83 GLY H H 1 8.082 0.06 . 1 . . . . 83 Gly H . 17033 1 743 . 1 1 83 83 GLY HA2 H 1 4.236 0.06 . 2 . . . . 83 Gly HA2 . 17033 1 744 . 1 1 83 83 GLY HA3 H 1 3.586 0.06 . 2 . . . . 83 Gly HA3 . 17033 1 745 . 1 1 83 83 GLY CA C 13 45.773 0.55 . 1 . . . . 83 Gly CA . 17033 1 746 . 1 1 83 83 GLY N N 15 108.810 0.55 . 1 . . . . 83 Gly N . 17033 1 747 . 1 1 84 84 LEU H H 1 8.750 0.06 . 1 . . . . 84 Leu H . 17033 1 748 . 1 1 84 84 LEU HA H 1 4.300 0.06 . 1 . . . . 84 Leu HA . 17033 1 749 . 1 1 84 84 LEU HB2 H 1 1.599 0.06 . 2 . . . . 84 Leu HB2 . 17033 1 750 . 1 1 84 84 LEU HB3 H 1 1.599 0.06 . 2 . . . . 84 Leu HB3 . 17033 1 751 . 1 1 84 84 LEU HD11 H 1 0.856 0.06 . 2 . . . . 84 Leu HD1 . 17033 1 752 . 1 1 84 84 LEU HD12 H 1 0.856 0.06 . 2 . . . . 84 Leu HD1 . 17033 1 753 . 1 1 84 84 LEU HD13 H 1 0.856 0.06 . 2 . . . . 84 Leu HD1 . 17033 1 754 . 1 1 84 84 LEU HD21 H 1 0.856 0.06 . 2 . . . . 84 Leu HD2 . 17033 1 755 . 1 1 84 84 LEU HD22 H 1 0.856 0.06 . 2 . . . . 84 Leu HD2 . 17033 1 756 . 1 1 84 84 LEU HD23 H 1 0.856 0.06 . 2 . . . . 84 Leu HD2 . 17033 1 757 . 1 1 84 84 LEU HG H 1 1.598 0.06 . 1 . . . . 84 Leu HG . 17033 1 758 . 1 1 84 84 LEU CA C 13 55.431 0.55 . 1 . . . . 84 Leu CA . 17033 1 759 . 1 1 84 84 LEU CB C 13 41.652 0.55 . 1 . . . . 84 Leu CB . 17033 1 760 . 1 1 84 84 LEU CD1 C 13 24.0 0.55 . 2 . . . . 84 Leu CD1 . 17033 1 761 . 1 1 84 84 LEU CD2 C 13 24.0 0.55 . 2 . . . . 84 Leu CD2 . 17033 1 762 . 1 1 84 84 LEU CG C 13 27.57 0.55 . 1 . . . . 84 Leu CG . 17033 1 763 . 1 1 84 84 LEU N N 15 124.566 0.55 . 1 . . . . 84 Leu N . 17033 1 764 . 1 1 85 85 GLU H H 1 8.132 0.06 . 1 . . . . 85 Glu H . 17033 1 765 . 1 1 85 85 GLU HA H 1 4.413 0.06 . 1 . . . . 85 Glu HA . 17033 1 766 . 1 1 85 85 GLU HB2 H 1 1.964 0.06 . 2 . . . . 85 Glu HB2 . 17033 1 767 . 1 1 85 85 GLU HB3 H 1 1.747 0.06 . 2 . . . . 85 Glu HB3 . 17033 1 768 . 1 1 85 85 GLU HG2 H 1 2.405 0.06 . 2 . . . . 85 Glu HG2 . 17033 1 769 . 1 1 85 85 GLU HG3 H 1 2.029 0.06 . 2 . . . . 85 Glu HG3 . 17033 1 770 . 1 1 85 85 GLU CA C 13 57.097 0.55 . 1 . . . . 85 Glu CA . 17033 1 771 . 1 1 85 85 GLU CB C 13 31.731 0.55 . 1 . . . . 85 Glu CB . 17033 1 772 . 1 1 85 85 GLU CG C 13 36.751 0.55 . 1 . . . . 85 Glu CG . 17033 1 773 . 1 1 85 85 GLU N N 15 119.846 0.55 . 1 . . . . 85 Glu N . 17033 1 774 . 1 1 86 86 TYR H H 1 9.524 0.06 . 1 . . . . 86 Tyr H . 17033 1 775 . 1 1 86 86 TYR HA H 1 4.87 0.06 . 1 . . . . 86 Tyr HA . 17033 1 776 . 1 1 86 86 TYR HB2 H 1 3.53 0.06 . 2 . . . . 86 Tyr HB2 . 17033 1 777 . 1 1 86 86 TYR HB3 H 1 3.53 0.06 . 2 . . . . 86 Tyr HB3 . 17033 1 778 . 1 1 86 86 TYR HD1 H 1 7.328 0.06 . 3 . . . . 86 Tyr HD1 . 17033 1 779 . 1 1 86 86 TYR HD2 H 1 7.328 0.06 . 3 . . . . 86 Tyr HD2 . 17033 1 780 . 1 1 86 86 TYR HE1 H 1 6.86 0.06 . 3 . . . . 86 Tyr HE1 . 17033 1 781 . 1 1 86 86 TYR HE2 H 1 6.86 0.06 . 3 . . . . 86 Tyr HE2 . 17033 1 782 . 1 1 86 86 TYR CA C 13 55.979 0.55 . 1 . . . . 86 Tyr CA . 17033 1 783 . 1 1 86 86 TYR CB C 13 39.282 0.55 . 1 . . . . 86 Tyr CB . 17033 1 784 . 1 1 86 86 TYR CD1 C 13 133.804 0.55 . 3 . . . . 86 Tyr CD1 . 17033 1 785 . 1 1 86 86 TYR CD2 C 13 133.804 0.55 . 3 . . . . 86 Tyr CD2 . 17033 1 786 . 1 1 86 86 TYR CE1 C 13 118.34 0.55 . 3 . . . . 86 Tyr CE1 . 17033 1 787 . 1 1 86 86 TYR CE2 C 13 118.34 0.55 . 3 . . . . 86 Tyr CE2 . 17033 1 788 . 1 1 86 86 TYR N N 15 123.234 0.55 . 1 . . . . 86 Tyr N . 17033 1 789 . 1 1 87 87 PRO HA H 1 4.779 0.06 . 1 . . . . 87 Pro HA . 17033 1 790 . 1 1 87 87 PRO HB2 H 1 2.07 0.06 . 2 . . . . 87 Pro HB2 . 17033 1 791 . 1 1 87 87 PRO HB3 H 1 1.954 0.06 . 2 . . . . 87 Pro HB3 . 17033 1 792 . 1 1 87 87 PRO HD2 H 1 3.66 0.06 . 2 . . . . 87 Pro HD2 . 17033 1 793 . 1 1 87 87 PRO HD3 H 1 3.514 0.06 . 2 . . . . 87 Pro HD3 . 17033 1 794 . 1 1 87 87 PRO HG2 H 1 2.193 0.06 . 2 . . . . 87 Pro HG2 . 17033 1 795 . 1 1 87 87 PRO HG3 H 1 1.887 0.06 . 2 . . . . 87 Pro HG3 . 17033 1 796 . 1 1 87 87 PRO CA C 13 61.621 0.55 . 1 . . . . 87 Pro CA . 17033 1 797 . 1 1 87 87 PRO CB C 13 30.42 0.55 . 1 . . . . 87 Pro CB . 17033 1 798 . 1 1 87 87 PRO CD C 13 50.5 0.55 . 1 . . . . 87 Pro CD . 17033 1 799 . 1 1 87 87 PRO CG C 13 27.865 0.55 . 1 . . . . 87 Pro CG . 17033 1 800 . 1 1 88 88 ALA H H 1 9.484 0.06 . 1 . . . . 88 Ala H . 17033 1 801 . 1 1 88 88 ALA HA H 1 4.432 0.06 . 1 . . . . 88 Ala HA . 17033 1 802 . 1 1 88 88 ALA HB1 H 1 1.792 0.06 . 1 . . . . 88 Ala HB . 17033 1 803 . 1 1 88 88 ALA HB2 H 1 1.792 0.06 . 1 . . . . 88 Ala HB . 17033 1 804 . 1 1 88 88 ALA HB3 H 1 1.792 0.06 . 1 . . . . 88 Ala HB . 17033 1 805 . 1 1 88 88 ALA CA C 13 52.784 0.55 . 1 . . . . 88 Ala CA . 17033 1 806 . 1 1 88 88 ALA CB C 13 20.028 0.55 . 1 . . . . 88 Ala CB . 17033 1 807 . 1 1 88 88 ALA N N 15 132.614 0.55 . 1 . . . . 88 Ala N . 17033 1 808 . 1 1 89 89 VAL H H 1 7.949 0.06 . 1 . . . . 89 Val H . 17033 1 809 . 1 1 89 89 VAL HA H 1 4.580 0.06 . 1 . . . . 89 Val HA . 17033 1 810 . 1 1 89 89 VAL HB H 1 1.534 0.06 . 1 . . . . 89 Val HB . 17033 1 811 . 1 1 89 89 VAL HG11 H 1 0.882 0.06 . 2 . . . . 89 Val HG1 . 17033 1 812 . 1 1 89 89 VAL HG12 H 1 0.882 0.06 . 2 . . . . 89 Val HG1 . 17033 1 813 . 1 1 89 89 VAL HG13 H 1 0.882 0.06 . 2 . . . . 89 Val HG1 . 17033 1 814 . 1 1 89 89 VAL HG21 H 1 0.802 0.06 . 2 . . . . 89 Val HG2 . 17033 1 815 . 1 1 89 89 VAL HG22 H 1 0.802 0.06 . 2 . . . . 89 Val HG2 . 17033 1 816 . 1 1 89 89 VAL HG23 H 1 0.802 0.06 . 2 . . . . 89 Val HG2 . 17033 1 817 . 1 1 89 89 VAL CA C 13 61.302 0.55 . 1 . . . . 89 Val CA . 17033 1 818 . 1 1 89 89 VAL CB C 13 34.567 0.55 . 1 . . . . 89 Val CB . 17033 1 819 . 1 1 89 89 VAL CG1 C 13 21.25 0.55 . 2 . . . . 89 Val CG1 . 17033 1 820 . 1 1 89 89 VAL CG2 C 13 20.6 0.55 . 2 . . . . 89 Val CG2 . 17033 1 821 . 1 1 89 89 VAL N N 15 121.500 0.55 . 1 . . . . 89 Val N . 17033 1 822 . 1 1 90 90 VAL H H 1 8.823 0.06 . 1 . . . . 90 Val H . 17033 1 823 . 1 1 90 90 VAL HA H 1 5.251 0.06 . 1 . . . . 90 Val HA . 17033 1 824 . 1 1 90 90 VAL HB H 1 1.878 0.06 . 1 . . . . 90 Val HB . 17033 1 825 . 1 1 90 90 VAL HG11 H 1 0.920 0.06 . 2 . . . . 90 Val HG1 . 17033 1 826 . 1 1 90 90 VAL HG12 H 1 0.920 0.06 . 2 . . . . 90 Val HG1 . 17033 1 827 . 1 1 90 90 VAL HG13 H 1 0.920 0.06 . 2 . . . . 90 Val HG1 . 17033 1 828 . 1 1 90 90 VAL HG21 H 1 0.920 0.06 . 2 . . . . 90 Val HG2 . 17033 1 829 . 1 1 90 90 VAL HG22 H 1 0.920 0.06 . 2 . . . . 90 Val HG2 . 17033 1 830 . 1 1 90 90 VAL HG23 H 1 0.920 0.06 . 2 . . . . 90 Val HG2 . 17033 1 831 . 1 1 90 90 VAL CA C 13 60.949 0.55 . 1 . . . . 90 Val CA . 17033 1 832 . 1 1 90 90 VAL CB C 13 33.696 0.55 . 1 . . . . 90 Val CB . 17033 1 833 . 1 1 90 90 VAL CG1 C 13 21.76 0.55 . 2 . . . . 90 Val CG1 . 17033 1 834 . 1 1 90 90 VAL CG2 C 13 21.76 0.55 . 2 . . . . 90 Val CG2 . 17033 1 835 . 1 1 90 90 VAL N N 15 126.842 0.55 . 1 . . . . 90 Val N . 17033 1 836 . 1 1 91 91 GLU H H 1 9.033 0.06 . 1 . . . . 91 Glu H . 17033 1 837 . 1 1 91 91 GLU HA H 1 4.632 0.06 . 1 . . . . 91 Glu HA . 17033 1 838 . 1 1 91 91 GLU HB2 H 1 1.894 0.06 . 2 . . . . 91 Glu HB2 . 17033 1 839 . 1 1 91 91 GLU HB3 H 1 1.894 0.06 . 2 . . . . 91 Glu HB3 . 17033 1 840 . 1 1 91 91 GLU HG2 H 1 2.088 0.06 . 2 . . . . 91 Glu HG2 . 17033 1 841 . 1 1 91 91 GLU HG3 H 1 2.018 0.06 . 2 . . . . 91 Glu HG3 . 17033 1 842 . 1 1 91 91 GLU CA C 13 53.742 0.55 . 1 . . . . 91 Glu CA . 17033 1 843 . 1 1 91 91 GLU CB C 13 33.814 0.55 . 1 . . . . 91 Glu CB . 17033 1 844 . 1 1 91 91 GLU CG C 13 35.99 0.55 . 1 . . . . 91 Glu CG . 17033 1 845 . 1 1 91 91 GLU N N 15 124.982 0.55 . 1 . . . . 91 Glu N . 17033 1 846 . 1 1 92 92 PHE H H 1 8.412 0.06 . 1 . . . . 92 Phe H . 17033 1 847 . 1 1 92 92 PHE HA H 1 5.099 0.06 . 1 . . . . 92 Phe HA . 17033 1 848 . 1 1 92 92 PHE HB2 H 1 3.19 0.06 . 2 . . . . 92 Phe HB2 . 17033 1 849 . 1 1 92 92 PHE HB3 H 1 2.998 0.06 . 2 . . . . 92 Phe HB3 . 17033 1 850 . 1 1 92 92 PHE HD1 H 1 7.26 0.06 . 3 . . . . 92 Phe HD1 . 17033 1 851 . 1 1 92 92 PHE HD2 H 1 7.26 0.06 . 3 . . . . 92 Phe HD2 . 17033 1 852 . 1 1 92 92 PHE CA C 13 56.735 0.55 . 1 . . . . 92 Phe CA . 17033 1 853 . 1 1 92 92 PHE CB C 13 39.7 0.55 . 1 . . . . 92 Phe CB . 17033 1 854 . 1 1 92 92 PHE CD1 C 13 131.8 0.55 . 3 . . . . 92 Phe CD1 . 17033 1 855 . 1 1 92 92 PHE CD2 C 13 131.9 0.55 . 3 . . . . 92 Phe CD2 . 17033 1 856 . 1 1 92 92 PHE N N 15 119.445 0.55 . 1 . . . . 92 Phe N . 17033 1 857 . 1 1 93 93 ALA H H 1 8.76 0.06 . 1 . . . . 93 Ala H . 17033 1 858 . 1 1 93 93 ALA HA H 1 4.65 0.06 . 1 . . . . 93 Ala HA . 17033 1 859 . 1 1 93 93 ALA HB1 H 1 1.21 0.06 . 1 . . . . 93 Ala HB . 17033 1 860 . 1 1 93 93 ALA HB2 H 1 1.21 0.06 . 1 . . . . 93 Ala HB . 17033 1 861 . 1 1 93 93 ALA HB3 H 1 1.21 0.06 . 1 . . . . 93 Ala HB . 17033 1 862 . 1 1 93 93 ALA CA C 13 50.21 0.55 . 1 . . . . 93 Ala CA . 17033 1 863 . 1 1 93 93 ALA CB C 13 19.05 0.55 . 1 . . . . 93 Ala CB . 17033 1 864 . 1 1 93 93 ALA N N 15 127.94 0.55 . 1 . . . . 93 Ala N . 17033 1 865 . 1 1 94 94 PRO HA H 1 4.35 0.06 . 1 . . . . 94 Pro HA . 17033 1 866 . 1 1 94 94 PRO HB2 H 1 2.106 0.06 . 2 . . . . 94 Pro HB2 . 17033 1 867 . 1 1 94 94 PRO HB3 H 1 1.702 0.06 . 2 . . . . 94 Pro HB3 . 17033 1 868 . 1 1 94 94 PRO HD2 H 1 3.495 0.06 . 2 . . . . 94 Pro HD2 . 17033 1 869 . 1 1 94 94 PRO HD3 H 1 3.452 0.06 . 2 . . . . 94 Pro HD3 . 17033 1 870 . 1 1 94 94 PRO HG2 H 1 1.852 0.06 . 2 . . . . 94 Pro HG2 . 17033 1 871 . 1 1 94 94 PRO HG3 H 1 1.852 0.06 . 2 . . . . 94 Pro HG3 . 17033 1 872 . 1 1 94 94 PRO CA C 13 62.98 0.55 . 1 . . . . 94 Pro CA . 17033 1 873 . 1 1 94 94 PRO CB C 13 31.734 0.55 . 1 . . . . 94 Pro CB . 17033 1 874 . 1 1 94 94 PRO CD C 13 50.57 0.55 . 1 . . . . 94 Pro CD . 17033 1 875 . 1 1 94 94 PRO CG C 13 27.33 0.55 . 1 . . . . 94 Pro CG . 17033 1 876 . 1 1 95 95 PHE H H 1 8.091 0.06 . 1 . . . . 95 Phe H . 17033 1 877 . 1 1 95 95 PHE HA H 1 4.504 0.06 . 1 . . . . 95 Phe HA . 17033 1 878 . 1 1 95 95 PHE HB2 H 1 2.962 0.06 . 2 . . . . 95 Phe HB2 . 17033 1 879 . 1 1 95 95 PHE HB3 H 1 2.962 0.06 . 2 . . . . 95 Phe HB3 . 17033 1 880 . 1 1 95 95 PHE HD1 H 1 7.063 0.06 . 3 . . . . 95 Phe HD1 . 17033 1 881 . 1 1 95 95 PHE HD2 H 1 7.063 0.06 . 3 . . . . 95 Phe HD2 . 17033 1 882 . 1 1 95 95 PHE CA C 13 57.314 0.55 . 1 . . . . 95 Phe CA . 17033 1 883 . 1 1 95 95 PHE CB C 13 39.422 0.55 . 1 . . . . 95 Phe CB . 17033 1 884 . 1 1 95 95 PHE CD1 C 13 131.69 0.55 . 3 . . . . 95 Phe CD1 . 17033 1 885 . 1 1 95 95 PHE CD2 C 13 131.69 0.55 . 3 . . . . 95 Phe CD2 . 17033 1 886 . 1 1 95 95 PHE N N 15 119.403 0.55 . 1 . . . . 95 Phe N . 17033 1 887 . 1 1 96 96 GLN H H 1 7.962 0.06 . 1 . . . . 96 Gln H . 17033 1 888 . 1 1 96 96 GLN HA H 1 4.176 0.06 . 1 . . . . 96 Gln HA . 17033 1 889 . 1 1 96 96 GLN HB2 H 1 1.952 0.06 . 2 . . . . 96 Gln HB2 . 17033 1 890 . 1 1 96 96 GLN HB3 H 1 1.768 0.06 . 2 . . . . 96 Gln HB3 . 17033 1 891 . 1 1 96 96 GLN HE21 H 1 7.53 0.06 . 2 . . . . 96 Gln HE21 . 17033 1 892 . 1 1 96 96 GLN HE22 H 1 7.12 0.06 . 2 . . . . 96 Gln HE22 . 17033 1 893 . 1 1 96 96 GLN HG2 H 1 2.348 0.06 . 2 . . . . 96 Gln HG2 . 17033 1 894 . 1 1 96 96 GLN HG3 H 1 2.136 0.06 . 2 . . . . 96 Gln HG3 . 17033 1 895 . 1 1 96 96 GLN CA C 13 55.624 0.55 . 1 . . . . 96 Gln CA . 17033 1 896 . 1 1 96 96 GLN CB C 13 29.899 0.55 . 1 . . . . 96 Gln CB . 17033 1 897 . 1 1 96 96 GLN CG C 13 33.80 0.55 . 1 . . . . 96 Gln CG . 17033 1 898 . 1 1 96 96 GLN N N 15 122.670 0.55 . 1 . . . . 96 Gln N . 17033 1 899 . 1 1 96 96 GLN NE2 N 15 112.8 0.55 . 1 . . . . 96 Gln NE2 . 17033 1 900 . 1 1 97 97 LYS H H 1 7.783 0.06 . 1 . . . . 97 Lys H . 17033 1 901 . 1 1 97 97 LYS HA H 1 3.992 0.06 . 1 . . . . 97 Lys HA . 17033 1 902 . 1 1 97 97 LYS HB2 H 1 1.69 0.06 . 2 . . . . 97 Lys HB2 . 17033 1 903 . 1 1 97 97 LYS HB3 H 1 1.568 0.06 . 2 . . . . 97 Lys HB3 . 17033 1 904 . 1 1 97 97 LYS HD2 H 1 1.573 0.06 . 2 . . . . 97 Lys HD2 . 17033 1 905 . 1 1 97 97 LYS HD3 H 1 1.573 0.06 . 2 . . . . 97 Lys HD3 . 17033 1 906 . 1 1 97 97 LYS HE2 H 1 2.87 0.06 . 2 . . . . 97 Lys HE2 . 17033 1 907 . 1 1 97 97 LYS HE3 H 1 2.87 0.06 . 2 . . . . 97 Lys HE3 . 17033 1 908 . 1 1 97 97 LYS HG2 H 1 1.251 0.06 . 2 . . . . 97 Lys HG2 . 17033 1 909 . 1 1 97 97 LYS HG3 H 1 1.251 0.06 . 2 . . . . 97 Lys HG3 . 17033 1 910 . 1 1 97 97 LYS CA C 13 57.732 0.55 . 1 . . . . 97 Lys CA . 17033 1 911 . 1 1 97 97 LYS CB C 13 33.809 0.55 . 1 . . . . 97 Lys CB . 17033 1 912 . 1 1 97 97 LYS CD C 13 29.2 0.55 . 1 . . . . 97 Lys CD . 17033 1 913 . 1 1 97 97 LYS CE C 13 42.15 0.55 . 1 . . . . 97 Lys CE . 17033 1 914 . 1 1 97 97 LYS CG C 13 24.89 0.55 . 1 . . . . 97 Lys CG . 17033 1 915 . 1 1 97 97 LYS N N 15 127.851 0.55 . 1 . . . . 97 Lys N . 17033 1 stop_ save_