data_16413 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16413 _Entry.Title ; C17orf37 Human 9606 Eukaryota Matazoa Homo sapiens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-23 _Entry.Accession_date 2009-07-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Chun-Jiun Yang . . . 16413 2 Lin-Ya Huang . . . 16413 3 Yu-Yung Chang . . . 16413 4 Tang-Long Shen . . . 16413 5 Chun-Hua Hsu . . . 16413 6 Chi-Fon Chang . . . 16413 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16413 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 457 16413 '15N chemical shifts' 115 16413 '1H chemical shifts' 741 16413 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-10-05 2009-07-23 update BMRB 'Update entry citation' 16413 1 . . 2010-06-22 2009-07-23 original author 'original release' 16413 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LJK 'BMRB Entry Tracking System' 16413 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16413 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20556552 _Citation.Full_citation . _Citation.Title 'Resonance assignments of human C35 (C17orf37) protein, a novel tumor biomarker.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _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 191 _Citation.Page_last 193 _Citation.Year 2010 _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 Chun-Jiun Yang . . . 16413 1 2 Chi-Fon Chang . . . 16413 1 3 Lin-Ya Huang . . . 16413 1 4 Yu-Yung Chang . . . 16413 1 5 Tang-Long Shen . . . 16413 1 6 Chun-Hua Hsu . . . 16413 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16413 _Assembly.ID 1 _Assembly.Name C17orf37 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 C17orf37 1 $C17orf37 A . yes native no no . . . 16413 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C17orf37 _Entity.Sf_category entity _Entity.Sf_framecode C17orf37 _Entity.Entry_ID 16413 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C17orf37 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMSGEPGQTSVAPPPEEVE PGSGVRIVVEYCEPCGFEAT YLELASAVKEQYPGIEIESR LGGTGAFEIEINGQLVFSKL ENGGFPYEKDLIEAIRRASN GETLEKITNSRPPCVIL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LJK . "Solution Structure Of The Oncogenic-Potential Mien1 Protein" . . . . . 100.00 117 100.00 100.00 4.07e-75 . . . . 16413 1 2 no DBJ BAE87852 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.29 115 97.39 98.26 2.75e-71 . . . . 16413 1 3 no GB AAH06006 . "Chromosome 17 open reading frame 37 [Homo sapiens]" . . . . . 98.29 115 100.00 100.00 9.54e-74 . . . . 16413 1 4 no GB AAO85461 . "XTP4 [Homo sapiens]" . . . . . 98.29 115 100.00 100.00 9.54e-74 . . . . 16413 1 5 no GB AAR92035 . "C35 protein [Homo sapiens]" . . . . . 98.29 115 100.00 100.00 9.54e-74 . . . . 16413 1 6 no GB ADQ33214 . "chromosome 17 open reading frame 37 [synthetic construct]" . . . . . 98.29 115 100.00 100.00 9.54e-74 . . . . 16413 1 7 no GB AIC52550 . "MIEN1, partial [synthetic construct]" . . . . . 98.29 115 100.00 100.00 9.54e-74 . . . . 16413 1 8 no REF NP_001230776 . "migration and invasion enhancer 1 [Pan troglodytes]" . . . . . 98.29 115 99.13 99.13 1.63e-72 . . . . 16413 1 9 no REF NP_001253733 . "migration and invasion enhancer 1 [Macaca mulatta]" . . . . . 98.29 115 97.39 98.26 2.75e-71 . . . . 16413 1 10 no REF NP_001270417 . "uncharacterized protein LOC101866297 [Macaca fascicularis]" . . . . . 98.29 115 97.39 98.26 2.75e-71 . . . . 16413 1 11 no REF NP_115715 . "migration and invasion enhancer 1 [Homo sapiens]" . . . . . 98.29 115 100.00 100.00 9.54e-74 . . . . 16413 1 12 no REF XP_002827689 . "PREDICTED: migration and invasion enhancer 1 [Pongo abelii]" . . . . . 98.29 115 97.39 97.39 1.66e-70 . . . . 16413 1 13 no SP Q9BRT3 . "RecName: Full=Migration and invasion enhancer 1; AltName: Full=HBV X-transactivated gene 4 protein; AltName: Full=HBV XAg-trans" . . . . . 98.29 115 100.00 100.00 9.54e-74 . . . . 16413 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16413 1 2 . SER . 16413 1 3 . MET . 16413 1 4 . SER . 16413 1 5 . GLY . 16413 1 6 . GLU . 16413 1 7 . PRO . 16413 1 8 . GLY . 16413 1 9 . GLN . 16413 1 10 . THR . 16413 1 11 . SER . 16413 1 12 . VAL . 16413 1 13 . ALA . 16413 1 14 . PRO . 16413 1 15 . PRO . 16413 1 16 . PRO . 16413 1 17 . GLU . 16413 1 18 . GLU . 16413 1 19 . VAL . 16413 1 20 . GLU . 16413 1 21 . PRO . 16413 1 22 . GLY . 16413 1 23 . SER . 16413 1 24 . GLY . 16413 1 25 . VAL . 16413 1 26 . ARG . 16413 1 27 . ILE . 16413 1 28 . VAL . 16413 1 29 . VAL . 16413 1 30 . GLU . 16413 1 31 . TYR . 16413 1 32 . CYS . 16413 1 33 . GLU . 16413 1 34 . PRO . 16413 1 35 . CYS . 16413 1 36 . GLY . 16413 1 37 . PHE . 16413 1 38 . GLU . 16413 1 39 . ALA . 16413 1 40 . THR . 16413 1 41 . TYR . 16413 1 42 . LEU . 16413 1 43 . GLU . 16413 1 44 . LEU . 16413 1 45 . ALA . 16413 1 46 . SER . 16413 1 47 . ALA . 16413 1 48 . VAL . 16413 1 49 . LYS . 16413 1 50 . GLU . 16413 1 51 . GLN . 16413 1 52 . TYR . 16413 1 53 . PRO . 16413 1 54 . GLY . 16413 1 55 . ILE . 16413 1 56 . GLU . 16413 1 57 . ILE . 16413 1 58 . GLU . 16413 1 59 . SER . 16413 1 60 . ARG . 16413 1 61 . LEU . 16413 1 62 . GLY . 16413 1 63 . GLY . 16413 1 64 . THR . 16413 1 65 . GLY . 16413 1 66 . ALA . 16413 1 67 . PHE . 16413 1 68 . GLU . 16413 1 69 . ILE . 16413 1 70 . GLU . 16413 1 71 . ILE . 16413 1 72 . ASN . 16413 1 73 . GLY . 16413 1 74 . GLN . 16413 1 75 . LEU . 16413 1 76 . VAL . 16413 1 77 . PHE . 16413 1 78 . SER . 16413 1 79 . LYS . 16413 1 80 . LEU . 16413 1 81 . GLU . 16413 1 82 . ASN . 16413 1 83 . GLY . 16413 1 84 . GLY . 16413 1 85 . PHE . 16413 1 86 . PRO . 16413 1 87 . TYR . 16413 1 88 . GLU . 16413 1 89 . LYS . 16413 1 90 . ASP . 16413 1 91 . LEU . 16413 1 92 . ILE . 16413 1 93 . GLU . 16413 1 94 . ALA . 16413 1 95 . ILE . 16413 1 96 . ARG . 16413 1 97 . ARG . 16413 1 98 . ALA . 16413 1 99 . SER . 16413 1 100 . ASN . 16413 1 101 . GLY . 16413 1 102 . GLU . 16413 1 103 . THR . 16413 1 104 . LEU . 16413 1 105 . GLU . 16413 1 106 . LYS . 16413 1 107 . ILE . 16413 1 108 . THR . 16413 1 109 . ASN . 16413 1 110 . SER . 16413 1 111 . ARG . 16413 1 112 . PRO . 16413 1 113 . PRO . 16413 1 114 . CYS . 16413 1 115 . VAL . 16413 1 116 . ILE . 16413 1 117 . LEU . 16413 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16413 1 . SER 2 2 16413 1 . MET 3 3 16413 1 . SER 4 4 16413 1 . GLY 5 5 16413 1 . GLU 6 6 16413 1 . PRO 7 7 16413 1 . GLY 8 8 16413 1 . GLN 9 9 16413 1 . THR 10 10 16413 1 . SER 11 11 16413 1 . VAL 12 12 16413 1 . ALA 13 13 16413 1 . PRO 14 14 16413 1 . PRO 15 15 16413 1 . PRO 16 16 16413 1 . GLU 17 17 16413 1 . GLU 18 18 16413 1 . VAL 19 19 16413 1 . GLU 20 20 16413 1 . PRO 21 21 16413 1 . GLY 22 22 16413 1 . SER 23 23 16413 1 . GLY 24 24 16413 1 . VAL 25 25 16413 1 . ARG 26 26 16413 1 . ILE 27 27 16413 1 . VAL 28 28 16413 1 . VAL 29 29 16413 1 . GLU 30 30 16413 1 . TYR 31 31 16413 1 . CYS 32 32 16413 1 . GLU 33 33 16413 1 . PRO 34 34 16413 1 . CYS 35 35 16413 1 . GLY 36 36 16413 1 . PHE 37 37 16413 1 . GLU 38 38 16413 1 . ALA 39 39 16413 1 . THR 40 40 16413 1 . TYR 41 41 16413 1 . LEU 42 42 16413 1 . GLU 43 43 16413 1 . LEU 44 44 16413 1 . ALA 45 45 16413 1 . SER 46 46 16413 1 . ALA 47 47 16413 1 . VAL 48 48 16413 1 . LYS 49 49 16413 1 . GLU 50 50 16413 1 . GLN 51 51 16413 1 . TYR 52 52 16413 1 . PRO 53 53 16413 1 . GLY 54 54 16413 1 . ILE 55 55 16413 1 . GLU 56 56 16413 1 . ILE 57 57 16413 1 . GLU 58 58 16413 1 . SER 59 59 16413 1 . ARG 60 60 16413 1 . LEU 61 61 16413 1 . GLY 62 62 16413 1 . GLY 63 63 16413 1 . THR 64 64 16413 1 . GLY 65 65 16413 1 . ALA 66 66 16413 1 . PHE 67 67 16413 1 . GLU 68 68 16413 1 . ILE 69 69 16413 1 . GLU 70 70 16413 1 . ILE 71 71 16413 1 . ASN 72 72 16413 1 . GLY 73 73 16413 1 . GLN 74 74 16413 1 . LEU 75 75 16413 1 . VAL 76 76 16413 1 . PHE 77 77 16413 1 . SER 78 78 16413 1 . LYS 79 79 16413 1 . LEU 80 80 16413 1 . GLU 81 81 16413 1 . ASN 82 82 16413 1 . GLY 83 83 16413 1 . GLY 84 84 16413 1 . PHE 85 85 16413 1 . PRO 86 86 16413 1 . TYR 87 87 16413 1 . GLU 88 88 16413 1 . LYS 89 89 16413 1 . ASP 90 90 16413 1 . LEU 91 91 16413 1 . ILE 92 92 16413 1 . GLU 93 93 16413 1 . ALA 94 94 16413 1 . ILE 95 95 16413 1 . ARG 96 96 16413 1 . ARG 97 97 16413 1 . ALA 98 98 16413 1 . SER 99 99 16413 1 . ASN 100 100 16413 1 . GLY 101 101 16413 1 . GLU 102 102 16413 1 . THR 103 103 16413 1 . LEU 104 104 16413 1 . GLU 105 105 16413 1 . LYS 106 106 16413 1 . ILE 107 107 16413 1 . THR 108 108 16413 1 . ASN 109 109 16413 1 . SER 110 110 16413 1 . ARG 111 111 16413 1 . PRO 112 112 16413 1 . PRO 113 113 16413 1 . CYS 114 114 16413 1 . VAL 115 115 16413 1 . ILE 116 116 16413 1 . LEU 117 117 16413 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 16413 _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 $C17orf37 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'C17orf37 Human 9606 Eukaryota Matazoa Homo sapiens' . . 16413 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 16413 _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 $C17orf37 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli 'BL21(DE3) pLysS' . . . . . . . . . . . . . . . pET28 . . . 'First two residues (GS) from clone artefact' . . 16413 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16413 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 C17orf37 '[U-13C; U-15N]' . . 1 $C17orf37 . . . 0.1 0.3 mM . . . . 16413 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16413 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16413 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16413 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16413 _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' 20 . mM 16413 1 pH 6.5 . pH 16413 1 pressure 1 . atm 16413 1 temperature 310 . K 16413 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16413 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1pl4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16413 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16413 1 processing 16413 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16413 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16413 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16413 2 'data analysis' 16413 2 'peak picking' 16413 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16413 _Software.ID 3 _Software.Name NMRView _Software.Version 8.0.a30 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16413 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16413 3 'data analysis' 16413 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16413 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped 5mm TCI (1H/13C/15N) with Z gradient cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16413 _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 . 600 'Equipped 5mm TCI (1H/13C/15N) with Z gradient cryogenic probe' . . 16413 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 16413 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16413 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16413 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16413 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16413 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16413 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16413 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16413 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16413 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16413 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16413 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16413 1 12 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16413 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 16413 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16413 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16413 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16413 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 16413 _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' . . . 16413 1 2 '3D CBCA(CO)NH' . . . 16413 1 3 '3D HNCO' . . . 16413 1 5 '3D HNCACB' . . . 16413 1 6 '3D HBHA(CO)NH' . . . 16413 1 7 '3D H(CCO)NH' . . . 16413 1 8 '3D HCCH-TOCSY' . . . 16413 1 10 '3D 1H-15N TOCSY' . . . 16413 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 3 3 MET HA H 1 4.443 0.004 . 1 . . . . 3 Met HA . 16413 1 2 . 1 1 3 3 MET C C 13 176.237 0.016 . 1 . . . . 3 Met C . 16413 1 3 . 1 1 3 3 MET CA C 13 55.636 0.035 . 1 . . . . 3 Met CA . 16413 1 4 . 1 1 3 3 MET CB C 13 32.919 0.054 . 1 . . . . 3 Met CB . 16413 1 5 . 1 1 4 4 SER H H 1 8.158 0.008 . 1 . . . . 4 Ser H . 16413 1 6 . 1 1 4 4 SER HA H 1 4.396 0.001 . 1 . . . . 4 Ser HA . 16413 1 7 . 1 1 4 4 SER HB2 H 1 3.824 0.001 . 1 . . . . 4 Ser HB2 . 16413 1 8 . 1 1 4 4 SER HB3 H 1 3.824 0.001 . 1 . . . . 4 Ser HB3 . 16413 1 9 . 1 1 4 4 SER C C 13 174.836 0.024 . 1 . . . . 4 Ser C . 16413 1 10 . 1 1 4 4 SER CA C 13 58.467 0.046 . 1 . . . . 4 Ser CA . 16413 1 11 . 1 1 4 4 SER CB C 13 63.997 0.003 . 1 . . . . 4 Ser CB . 16413 1 12 . 1 1 4 4 SER N N 15 116.547 0.020 . 1 . . . . 4 Ser N . 16413 1 13 . 1 1 5 5 GLY H H 1 8.251 0.004 . 1 . . . . 5 Gly H . 16413 1 14 . 1 1 5 5 GLY HA2 H 1 3.918 0.004 . 1 . . . . 5 Gly HA2 . 16413 1 15 . 1 1 5 5 GLY HA3 H 1 3.918 0.004 . 1 . . . . 5 Gly HA3 . 16413 1 16 . 1 1 5 5 GLY C C 13 173.781 0.009 . 1 . . . . 5 Gly C . 16413 1 17 . 1 1 5 5 GLY CA C 13 45.170 0.039 . 1 . . . . 5 Gly CA . 16413 1 18 . 1 1 5 5 GLY N N 15 110.705 0.064 . 1 . . . . 5 Gly N . 16413 1 19 . 1 1 6 6 GLU H H 1 8.076 0.005 . 1 . . . . 6 Glu H . 16413 1 20 . 1 1 6 6 GLU HA H 1 4.553 0.005 . 1 . . . . 6 Glu HA . 16413 1 21 . 1 1 6 6 GLU HB2 H 1 2.210 0.001 . 1 . . . . 6 Glu HB2 . 16413 1 22 . 1 1 6 6 GLU HB3 H 1 2.210 0.007 . 1 . . . . 6 Glu HB3 . 16413 1 23 . 1 1 6 6 GLU C C 13 174.894 0.035 . 1 . . . . 6 Glu C . 16413 1 24 . 1 1 6 6 GLU CA C 13 54.437 0.068 . 1 . . . . 6 Glu CA . 16413 1 25 . 1 1 6 6 GLU CB C 13 29.763 0.035 . 1 . . . . 6 Glu CB . 16413 1 26 . 1 1 6 6 GLU N N 15 121.496 0.051 . 1 . . . . 6 Glu N . 16413 1 27 . 1 1 7 7 PRO HA H 1 4.358 0.005 . 1 . . . . 7 Pro HA . 16413 1 28 . 1 1 7 7 PRO HB2 H 1 2.246 0.001 . 2 . . . . 7 Pro HB2 . 16413 1 29 . 1 1 7 7 PRO HB3 H 1 1.898 0.007 . 2 . . . . 7 Pro HB3 . 16413 1 30 . 1 1 7 7 PRO HD2 H 1 3.663 0.004 . 1 . . . . 7 Pro HD2 . 16413 1 31 . 1 1 7 7 PRO HD3 H 1 3.663 0.004 . 1 . . . . 7 Pro HD3 . 16413 1 32 . 1 1 7 7 PRO C C 13 177.697 0.035 . 1 . . . . 7 Pro C . 16413 1 33 . 1 1 7 7 PRO CA C 13 63.712 0.011 . 1 . . . . 7 Pro CA . 16413 1 34 . 1 1 7 7 PRO CB C 13 31.984 0.063 . 1 . . . . 7 Pro CB . 16413 1 35 . 1 1 8 8 GLY H H 1 8.395 0.002 . 1 . . . . 8 Gly H . 16413 1 36 . 1 1 8 8 GLY HA2 H 1 3.904 0.002 . 1 . . . . 8 Gly HA2 . 16413 1 37 . 1 1 8 8 GLY HA3 H 1 3.904 0.002 . 1 . . . . 8 Gly HA3 . 16413 1 38 . 1 1 8 8 GLY C C 13 174.309 0.003 . 1 . . . . 8 Gly C . 16413 1 39 . 1 1 8 8 GLY CA C 13 45.375 0.014 . 1 . . . . 8 Gly CA . 16413 1 40 . 1 1 8 8 GLY N N 15 108.997 0.011 . 1 . . . . 8 Gly N . 16413 1 41 . 1 1 9 9 GLN H H 1 8.056 0.003 . 1 . . . . 9 Gln H . 16413 1 42 . 1 1 9 9 GLN HA H 1 4.386 0.004 . 1 . . . . 9 Gln HA . 16413 1 43 . 1 1 9 9 GLN HB2 H 1 1.960 0.004 . 2 . . . . 9 Gln HB2 . 16413 1 44 . 1 1 9 9 GLN HB3 H 1 2.101 0.009 . 2 . . . . 9 Gln HB3 . 16413 1 45 . 1 1 9 9 GLN HE21 H 1 6.742 0.003 . 1 . . . . 9 Gln HE21 . 16413 1 46 . 1 1 9 9 GLN HE22 H 1 7.435 0.001 . 1 . . . . 9 Gln HE22 . 16413 1 47 . 1 1 9 9 GLN HG2 H 1 2.310 0.004 . 1 . . . . 9 Gln HG2 . 16413 1 48 . 1 1 9 9 GLN HG3 H 1 2.310 0.004 . 1 . . . . 9 Gln HG3 . 16413 1 49 . 1 1 9 9 GLN C C 13 176.283 0.001 . 1 . . . . 9 Gln C . 16413 1 50 . 1 1 9 9 GLN CA C 13 55.956 0.001 . 1 . . . . 9 Gln CA . 16413 1 51 . 1 1 9 9 GLN CB C 13 29.589 0.029 . 1 . . . . 9 Gln CB . 16413 1 52 . 1 1 9 9 GLN CD C 13 180.505 0.035 . 1 . . . . 9 Gln CD . 16413 1 53 . 1 1 9 9 GLN CG C 13 33.831 0.130 . 1 . . . . 9 Gln CG . 16413 1 54 . 1 1 9 9 GLN N N 15 119.677 0.025 . 1 . . . . 9 Gln N . 16413 1 55 . 1 1 9 9 GLN NE2 N 15 112.176 0.012 . 1 . . . . 9 Gln NE2 . 16413 1 56 . 1 1 10 10 THR H H 1 8.139 0.003 . 1 . . . . 10 Thr H . 16413 1 57 . 1 1 10 10 THR HA H 1 4.336 0.001 . 1 . . . . 10 Thr HA . 16413 1 58 . 1 1 10 10 THR HB H 1 4.178 0.004 . 1 . . . . 10 Thr HB . 16413 1 59 . 1 1 10 10 THR HG21 H 1 1.147 0.005 . 1 . . . . 10 Thr HG21 . 16413 1 60 . 1 1 10 10 THR HG22 H 1 1.147 0.005 . 1 . . . . 10 Thr HG22 . 16413 1 61 . 1 1 10 10 THR HG23 H 1 1.147 0.005 . 1 . . . . 10 Thr HG23 . 16413 1 62 . 1 1 10 10 THR C C 13 174.464 0.001 . 1 . . . . 10 Thr C . 16413 1 63 . 1 1 10 10 THR CA C 13 61.969 0.033 . 1 . . . . 10 Thr CA . 16413 1 64 . 1 1 10 10 THR CB C 13 69.960 0.002 . 1 . . . . 10 Thr CB . 16413 1 65 . 1 1 10 10 THR CG2 C 13 21.544 0.068 . 1 . . . . 10 Thr CG2 . 16413 1 66 . 1 1 10 10 THR N N 15 115.234 0.044 . 1 . . . . 10 Thr N . 16413 1 67 . 1 1 11 11 SER H H 1 8.226 0.003 . 1 . . . . 11 Ser H . 16413 1 68 . 1 1 11 11 SER HA H 1 4.474 0.009 . 1 . . . . 11 Ser HA . 16413 1 69 . 1 1 11 11 SER HB2 H 1 3.803 0.001 . 1 . . . . 11 Ser HB2 . 16413 1 70 . 1 1 11 11 SER HB3 H 1 3.803 0.001 . 1 . . . . 11 Ser HB3 . 16413 1 71 . 1 1 11 11 SER C C 13 174.202 0.009 . 1 . . . . 11 Ser C . 16413 1 72 . 1 1 11 11 SER CA C 13 58.237 0.016 . 1 . . . . 11 Ser CA . 16413 1 73 . 1 1 11 11 SER CB C 13 64.008 0.030 . 1 . . . . 11 Ser CB . 16413 1 74 . 1 1 11 11 SER N N 15 118.386 0.051 . 1 . . . . 11 Ser N . 16413 1 75 . 1 1 12 12 VAL H H 1 8.024 0.001 . 1 . . . . 12 Val H . 16413 1 76 . 1 1 12 12 VAL HA H 1 4.104 0.001 . 1 . . . . 12 Val HA . 16413 1 77 . 1 1 12 12 VAL HB H 1 2.019 0.001 . 1 . . . . 12 Val HB . 16413 1 78 . 1 1 12 12 VAL HG11 H 1 0.866 0.004 . 1 . . . . 12 Val HG11 . 16413 1 79 . 1 1 12 12 VAL HG12 H 1 0.866 0.004 . 1 . . . . 12 Val HG12 . 16413 1 80 . 1 1 12 12 VAL HG13 H 1 0.866 0.004 . 1 . . . . 12 Val HG13 . 16413 1 81 . 1 1 12 12 VAL HG21 H 1 0.866 0.004 . 1 . . . . 12 Val HG21 . 16413 1 82 . 1 1 12 12 VAL HG22 H 1 0.866 0.004 . 1 . . . . 12 Val HG22 . 16413 1 83 . 1 1 12 12 VAL HG23 H 1 0.866 0.004 . 1 . . . . 12 Val HG23 . 16413 1 84 . 1 1 12 12 VAL C C 13 175.391 0.014 . 1 . . . . 12 Val C . 16413 1 85 . 1 1 12 12 VAL CA C 13 61.921 0.002 . 1 . . . . 12 Val CA . 16413 1 86 . 1 1 12 12 VAL CB C 13 32.956 0.072 . 1 . . . . 12 Val CB . 16413 1 87 . 1 1 12 12 VAL N N 15 121.497 0.010 . 1 . . . . 12 Val N . 16413 1 88 . 1 1 13 13 ALA H H 1 8.196 0.002 . 1 . . . . 13 Ala H . 16413 1 89 . 1 1 13 13 ALA HA H 1 4.559 0.004 . 1 . . . . 13 Ala HA . 16413 1 90 . 1 1 13 13 ALA HB1 H 1 1.285 0.001 . 1 . . . . 13 Ala HB1 . 16413 1 91 . 1 1 13 13 ALA HB2 H 1 1.285 0.001 . 1 . . . . 13 Ala HB2 . 16413 1 92 . 1 1 13 13 ALA HB3 H 1 1.285 0.001 . 1 . . . . 13 Ala HB3 . 16413 1 93 . 1 1 13 13 ALA C C 13 174.778 0.035 . 1 . . . . 13 Ala C . 16413 1 94 . 1 1 13 13 ALA CA C 13 50.374 0.015 . 1 . . . . 13 Ala CA . 16413 1 95 . 1 1 13 13 ALA CB C 13 18.322 0.023 . 1 . . . . 13 Ala CB . 16413 1 96 . 1 1 13 13 ALA N N 15 129.230 0.017 . 1 . . . . 13 Ala N . 16413 1 97 . 1 1 16 16 PRO HA H 1 4.343 0.003 . 1 . . . . 16 Pro HA . 16413 1 98 . 1 1 16 16 PRO HB2 H 1 1.877 0.003 . 2 . . . . 16 Pro HB2 . 16413 1 99 . 1 1 16 16 PRO HB3 H 1 2.246 0.003 . 2 . . . . 16 Pro HB3 . 16413 1 100 . 1 1 16 16 PRO HD2 H 1 3.609 0.003 . 2 . . . . 16 Pro HD2 . 16413 1 101 . 1 1 16 16 PRO HD3 H 1 3.764 0.004 . 2 . . . . 16 Pro HD3 . 16413 1 102 . 1 1 16 16 PRO HG2 H 1 1.986 0.004 . 1 . . . . 16 Pro HG2 . 16413 1 103 . 1 1 16 16 PRO HG3 H 1 1.986 0.004 . 1 . . . . 16 Pro HG3 . 16413 1 104 . 1 1 16 16 PRO C C 13 177.085 0.008 . 1 . . . . 16 Pro C . 16413 1 105 . 1 1 16 16 PRO CA C 13 63.290 0.093 . 1 . . . . 16 Pro CA . 16413 1 106 . 1 1 16 16 PRO CB C 13 32.037 0.059 . 1 . . . . 16 Pro CB . 16413 1 107 . 1 1 16 16 PRO CG C 13 27.347 0.064 . 1 . . . . 16 Pro CG . 16413 1 108 . 1 1 17 17 GLU H H 1 8.385 0.002 . 1 . . . . 17 Glu H . 16413 1 109 . 1 1 17 17 GLU HA H 1 4.196 0.003 . 1 . . . . 17 Glu HA . 16413 1 110 . 1 1 17 17 GLU HB2 H 1 1.983 0.004 . 2 . . . . 17 Glu HB2 . 16413 1 111 . 1 1 17 17 GLU HB3 H 1 1.878 0.003 . 2 . . . . 17 Glu HB3 . 16413 1 112 . 1 1 17 17 GLU HG2 H 1 2.219 0.002 . 1 . . . . 17 Glu HG2 . 16413 1 113 . 1 1 17 17 GLU HG3 H 1 2.219 0.002 . 1 . . . . 17 Glu HG3 . 16413 1 114 . 1 1 17 17 GLU C C 13 176.476 0.008 . 1 . . . . 17 Glu C . 16413 1 115 . 1 1 17 17 GLU CA C 13 56.817 0.008 . 1 . . . . 17 Glu CA . 16413 1 116 . 1 1 17 17 GLU CB C 13 30.251 0.014 . 1 . . . . 17 Glu CB . 16413 1 117 . 1 1 17 17 GLU CG C 13 36.365 0.035 . 1 . . . . 17 Glu CG . 16413 1 118 . 1 1 17 17 GLU N N 15 120.108 0.029 . 1 . . . . 17 Glu N . 16413 1 119 . 1 1 18 18 GLU H H 1 8.234 0.002 . 1 . . . . 18 Glu H . 16413 1 120 . 1 1 18 18 GLU HA H 1 4.298 0.002 . 1 . . . . 18 Glu HA . 16413 1 121 . 1 1 18 18 GLU HB2 H 1 1.851 0.003 . 2 . . . . 18 Glu HB2 . 16413 1 122 . 1 1 18 18 GLU HB3 H 1 1.995 0.004 . 2 . . . . 18 Glu HB3 . 16413 1 123 . 1 1 18 18 GLU HG2 H 1 2.185 0.001 . 1 . . . . 18 Glu HG2 . 16413 1 124 . 1 1 18 18 GLU HG3 H 1 2.185 0.001 . 1 . . . . 18 Glu HG3 . 16413 1 125 . 1 1 18 18 GLU C C 13 176.090 0.008 . 1 . . . . 18 Glu C . 16413 1 126 . 1 1 18 18 GLU CA C 13 56.380 0.052 . 1 . . . . 18 Glu CA . 16413 1 127 . 1 1 18 18 GLU CB C 13 30.495 0.034 . 1 . . . . 18 Glu CB . 16413 1 128 . 1 1 18 18 GLU CG C 13 36.262 0.061 . 1 . . . . 18 Glu CG . 16413 1 129 . 1 1 18 18 GLU N N 15 121.656 0.061 . 1 . . . . 18 Glu N . 16413 1 130 . 1 1 19 19 VAL H H 1 7.964 0.003 . 1 . . . . 19 Val H . 16413 1 131 . 1 1 19 19 VAL HA H 1 4.148 0.002 . 1 . . . . 19 Val HA . 16413 1 132 . 1 1 19 19 VAL HB H 1 2.039 0.003 . 1 . . . . 19 Val HB . 16413 1 133 . 1 1 19 19 VAL HG11 H 1 0.878 0.002 . 1 . . . . 19 Val HG11 . 16413 1 134 . 1 1 19 19 VAL HG12 H 1 0.878 0.002 . 1 . . . . 19 Val HG12 . 16413 1 135 . 1 1 19 19 VAL HG13 H 1 0.878 0.002 . 1 . . . . 19 Val HG13 . 16413 1 136 . 1 1 19 19 VAL HG21 H 1 0.878 0.002 . 1 . . . . 19 Val HG21 . 16413 1 137 . 1 1 19 19 VAL HG22 H 1 0.878 0.002 . 1 . . . . 19 Val HG22 . 16413 1 138 . 1 1 19 19 VAL HG23 H 1 0.878 0.002 . 1 . . . . 19 Val HG23 . 16413 1 139 . 1 1 19 19 VAL C C 13 176.065 0.015 . 1 . . . . 19 Val C . 16413 1 140 . 1 1 19 19 VAL CA C 13 61.641 0.014 . 1 . . . . 19 Val CA . 16413 1 141 . 1 1 19 19 VAL CB C 13 33.163 0.052 . 1 . . . . 19 Val CB . 16413 1 142 . 1 1 19 19 VAL CG1 C 13 21.203 0.045 . 2 . . . . 19 Val CG1 . 16413 1 143 . 1 1 19 19 VAL CG2 C 13 20.203 0.025 . 2 . . . . 19 Val CG2 . 16413 1 144 . 1 1 19 19 VAL N N 15 120.534 0.029 . 1 . . . . 19 Val N . 16413 1 145 . 1 1 20 20 GLU H H 1 8.535 0.002 . 1 . . . . 20 Glu H . 16413 1 146 . 1 1 20 20 GLU HA H 1 4.575 0.002 . 1 . . . . 20 Glu HA . 16413 1 147 . 1 1 20 20 GLU HB2 H 1 1.819 0.006 . 1 . . . . 20 Glu HB2 . 16413 1 148 . 1 1 20 20 GLU HB3 H 1 1.819 0.006 . 1 . . . . 20 Glu HB3 . 16413 1 149 . 1 1 20 20 GLU HG2 H 1 2.210 0.002 . 1 . . . . 20 Glu HG2 . 16413 1 150 . 1 1 20 20 GLU HG3 H 1 2.210 0.002 . 1 . . . . 20 Glu HG3 . 16413 1 151 . 1 1 20 20 GLU C C 13 174.889 0.035 . 1 . . . . 20 Glu C . 16413 1 152 . 1 1 20 20 GLU CA C 13 54.553 0.008 . 1 . . . . 20 Glu CA . 16413 1 153 . 1 1 20 20 GLU CB C 13 29.922 0.041 . 1 . . . . 20 Glu CB . 16413 1 154 . 1 1 20 20 GLU N N 15 125.842 0.026 . 1 . . . . 20 Glu N . 16413 1 155 . 1 1 21 21 PRO HA H 1 4.425 0.002 . 1 . . . . 21 Pro HA . 16413 1 156 . 1 1 21 21 PRO HB2 H 1 2.028 0.002 . 2 . . . . 21 Pro HB2 . 16413 1 157 . 1 1 21 21 PRO HB3 H 1 2.433 0.001 . 2 . . . . 21 Pro HB3 . 16413 1 158 . 1 1 21 21 PRO HD2 H 1 3.611 0.003 . 2 . . . . 21 Pro HD2 . 16413 1 159 . 1 1 21 21 PRO HD3 H 1 4.001 0.004 . 2 . . . . 21 Pro HD3 . 16413 1 160 . 1 1 21 21 PRO HG2 H 1 2.162 0.004 . 1 . . . . 21 Pro HG2 . 16413 1 161 . 1 1 21 21 PRO HG3 H 1 2.162 0.004 . 1 . . . . 21 Pro HG3 . 16413 1 162 . 1 1 21 21 PRO C C 13 177.233 0.031 . 1 . . . . 21 Pro C . 16413 1 163 . 1 1 21 21 PRO CA C 13 64.321 0.051 . 1 . . . . 21 Pro CA . 16413 1 164 . 1 1 21 21 PRO CB C 13 32.406 0.046 . 1 . . . . 21 Pro CB . 16413 1 165 . 1 1 21 21 PRO CD C 13 51.397 0.083 . 1 . . . . 21 Pro CD . 16413 1 166 . 1 1 21 21 PRO CG C 13 27.647 0.012 . 1 . . . . 21 Pro CG . 16413 1 167 . 1 1 22 22 GLY H H 1 8.950 0.005 . 1 . . . . 22 Gly H . 16413 1 168 . 1 1 22 22 GLY HA2 H 1 4.112 0.001 . 2 . . . . 22 Gly HA2 . 16413 1 169 . 1 1 22 22 GLY HA3 H 1 3.262 0.001 . 2 . . . . 22 Gly HA3 . 16413 1 170 . 1 1 22 22 GLY C C 13 172.815 0.002 . 1 . . . . 22 Gly C . 16413 1 171 . 1 1 22 22 GLY CA C 13 44.869 0.010 . 1 . . . . 22 Gly CA . 16413 1 172 . 1 1 22 22 GLY N N 15 111.876 0.022 . 1 . . . . 22 Gly N . 16413 1 173 . 1 1 23 23 SER H H 1 7.819 0.002 . 1 . . . . 23 Ser H . 16413 1 174 . 1 1 23 23 SER HA H 1 4.178 0.003 . 1 . . . . 23 Ser HA . 16413 1 175 . 1 1 23 23 SER HB2 H 1 3.866 0.007 . 1 . . . . 23 Ser HB2 . 16413 1 176 . 1 1 23 23 SER HB3 H 1 3.866 0.007 . 1 . . . . 23 Ser HB3 . 16413 1 177 . 1 1 23 23 SER C C 13 175.684 0.001 . 1 . . . . 23 Ser C . 16413 1 178 . 1 1 23 23 SER CA C 13 60.260 0.010 . 1 . . . . 23 Ser CA . 16413 1 179 . 1 1 23 23 SER CB C 13 63.481 0.099 . 1 . . . . 23 Ser CB . 16413 1 180 . 1 1 23 23 SER N N 15 114.542 0.020 . 1 . . . . 23 Ser N . 16413 1 181 . 1 1 24 24 GLY H H 1 8.723 0.003 . 1 . . . . 24 Gly H . 16413 1 182 . 1 1 24 24 GLY HA2 H 1 3.714 0.002 . 2 . . . . 24 Gly HA2 . 16413 1 183 . 1 1 24 24 GLY HA3 H 1 4.150 0.001 . 2 . . . . 24 Gly HA3 . 16413 1 184 . 1 1 24 24 GLY C C 13 173.754 0.015 . 1 . . . . 24 Gly C . 16413 1 185 . 1 1 24 24 GLY CA C 13 45.225 0.009 . 1 . . . . 24 Gly CA . 16413 1 186 . 1 1 24 24 GLY N N 15 113.846 0.022 . 1 . . . . 24 Gly N . 16413 1 187 . 1 1 25 25 VAL H H 1 7.907 0.002 . 1 . . . . 25 Val H . 16413 1 188 . 1 1 25 25 VAL HA H 1 4.401 0.003 . 1 . . . . 25 Val HA . 16413 1 189 . 1 1 25 25 VAL HB H 1 2.070 0.002 . 1 . . . . 25 Val HB . 16413 1 190 . 1 1 25 25 VAL HG11 H 1 0.661 0.007 . 1 . . . . 25 Val HG11 . 16413 1 191 . 1 1 25 25 VAL HG12 H 1 0.661 0.007 . 1 . . . . 25 Val HG12 . 16413 1 192 . 1 1 25 25 VAL HG13 H 1 0.661 0.007 . 1 . . . . 25 Val HG13 . 16413 1 193 . 1 1 25 25 VAL HG21 H 1 0.661 0.007 . 1 . . . . 25 Val HG21 . 16413 1 194 . 1 1 25 25 VAL HG22 H 1 0.661 0.007 . 1 . . . . 25 Val HG22 . 16413 1 195 . 1 1 25 25 VAL HG23 H 1 0.661 0.007 . 1 . . . . 25 Val HG23 . 16413 1 196 . 1 1 25 25 VAL C C 13 174.005 0.004 . 1 . . . . 25 Val C . 16413 1 197 . 1 1 25 25 VAL CA C 13 62.104 0.008 . 1 . . . . 25 Val CA . 16413 1 198 . 1 1 25 25 VAL CB C 13 32.206 0.048 . 1 . . . . 25 Val CB . 16413 1 199 . 1 1 25 25 VAL CG1 C 13 22.032 0.017 . 1 . . . . 25 Val CG1 . 16413 1 200 . 1 1 25 25 VAL CG2 C 13 22.032 0.017 . 1 . . . . 25 Val CG2 . 16413 1 201 . 1 1 25 25 VAL N N 15 121.485 0.022 . 1 . . . . 25 Val N . 16413 1 202 . 1 1 26 26 ARG H H 1 8.391 0.002 . 1 . . . . 26 Arg H . 16413 1 203 . 1 1 26 26 ARG HA H 1 5.191 0.004 . 1 . . . . 26 Arg HA . 16413 1 204 . 1 1 26 26 ARG HB2 H 1 1.648 0.002 . 2 . . . . 26 Arg HB2 . 16413 1 205 . 1 1 26 26 ARG HB3 H 1 1.749 0.002 . 2 . . . . 26 Arg HB3 . 16413 1 206 . 1 1 26 26 ARG HD2 H 1 3.078 0.003 . 1 . . . . 26 Arg HD2 . 16413 1 207 . 1 1 26 26 ARG HD3 H 1 3.078 0.003 . 1 . . . . 26 Arg HD3 . 16413 1 208 . 1 1 26 26 ARG HE H 1 7.117 0.004 . 1 . . . . 26 Arg HE . 16413 1 209 . 1 1 26 26 ARG HG2 H 1 1.327 0.014 . 2 . . . . 26 Arg HG2 . 16413 1 210 . 1 1 26 26 ARG HG3 H 1 1.439 0.002 . 2 . . . . 26 Arg HG3 . 16413 1 211 . 1 1 26 26 ARG C C 13 174.974 0.002 . 1 . . . . 26 Arg C . 16413 1 212 . 1 1 26 26 ARG CA C 13 54.514 0.021 . 1 . . . . 26 Arg CA . 16413 1 213 . 1 1 26 26 ARG CB C 13 32.634 0.051 . 1 . . . . 26 Arg CB . 16413 1 214 . 1 1 26 26 ARG CD C 13 43.365 0.044 . 1 . . . . 26 Arg CD . 16413 1 215 . 1 1 26 26 ARG CG C 13 27.757 0.111 . 1 . . . . 26 Arg CG . 16413 1 216 . 1 1 26 26 ARG N N 15 127.799 0.021 . 1 . . . . 26 Arg N . 16413 1 217 . 1 1 26 26 ARG NE N 15 84.887 0.003 . 1 . . . . 26 Arg NE . 16413 1 218 . 1 1 27 27 ILE H H 1 9.097 0.005 . 1 . . . . 27 Ile H . 16413 1 219 . 1 1 27 27 ILE HA H 1 5.165 0.004 . 1 . . . . 27 Ile HA . 16413 1 220 . 1 1 27 27 ILE HB H 1 1.704 0.003 . 1 . . . . 27 Ile HB . 16413 1 221 . 1 1 27 27 ILE HD11 H 1 0.690 0.003 . 1 . . . . 27 Ile HD11 . 16413 1 222 . 1 1 27 27 ILE HD12 H 1 0.690 0.003 . 1 . . . . 27 Ile HD12 . 16413 1 223 . 1 1 27 27 ILE HD13 H 1 0.690 0.003 . 1 . . . . 27 Ile HD13 . 16413 1 224 . 1 1 27 27 ILE HG12 H 1 0.939 0.002 . 1 . . . . 27 Ile HG12 . 16413 1 225 . 1 1 27 27 ILE HG13 H 1 0.939 0.002 . 1 . . . . 27 Ile HG13 . 16413 1 226 . 1 1 27 27 ILE HG21 H 1 0.803 0.002 . 1 . . . . 27 Ile HG21 . 16413 1 227 . 1 1 27 27 ILE HG22 H 1 0.803 0.002 . 1 . . . . 27 Ile HG22 . 16413 1 228 . 1 1 27 27 ILE HG23 H 1 0.803 0.002 . 1 . . . . 27 Ile HG23 . 16413 1 229 . 1 1 27 27 ILE C C 13 174.329 0.013 . 1 . . . . 27 Ile C . 16413 1 230 . 1 1 27 27 ILE CA C 13 59.141 0.038 . 1 . . . . 27 Ile CA . 16413 1 231 . 1 1 27 27 ILE CB C 13 40.724 0.069 . 1 . . . . 27 Ile CB . 16413 1 232 . 1 1 27 27 ILE CD1 C 13 14.743 0.047 . 1 . . . . 27 Ile CD1 . 16413 1 233 . 1 1 27 27 ILE CG1 C 13 28.215 0.186 . 1 . . . . 27 Ile CG1 . 16413 1 234 . 1 1 27 27 ILE CG2 C 13 17.361 0.009 . 1 . . . . 27 Ile CG2 . 16413 1 235 . 1 1 27 27 ILE N N 15 125.848 0.041 . 1 . . . . 27 Ile N . 16413 1 236 . 1 1 28 28 VAL H H 1 8.867 0.004 . 1 . . . . 28 Val H . 16413 1 237 . 1 1 28 28 VAL HA H 1 4.849 0.002 . 1 . . . . 28 Val HA . 16413 1 238 . 1 1 28 28 VAL HB H 1 1.787 0.002 . 1 . . . . 28 Val HB . 16413 1 239 . 1 1 28 28 VAL HG11 H 1 0.604 0.002 . 2 . . . . 28 Val HG11 . 16413 1 240 . 1 1 28 28 VAL HG12 H 1 0.604 0.002 . 2 . . . . 28 Val HG12 . 16413 1 241 . 1 1 28 28 VAL HG13 H 1 0.604 0.002 . 2 . . . . 28 Val HG13 . 16413 1 242 . 1 1 28 28 VAL HG21 H 1 0.753 0.001 . 2 . . . . 28 Val HG21 . 16413 1 243 . 1 1 28 28 VAL HG22 H 1 0.753 0.001 . 2 . . . . 28 Val HG22 . 16413 1 244 . 1 1 28 28 VAL HG23 H 1 0.753 0.001 . 2 . . . . 28 Val HG23 . 16413 1 245 . 1 1 28 28 VAL C C 13 175.343 0.007 . 1 . . . . 28 Val C . 16413 1 246 . 1 1 28 28 VAL CA C 13 60.513 0.067 . 1 . . . . 28 Val CA . 16413 1 247 . 1 1 28 28 VAL CB C 13 34.725 0.073 . 1 . . . . 28 Val CB . 16413 1 248 . 1 1 28 28 VAL CG1 C 13 20.807 0.028 . 2 . . . . 28 Val CG1 . 16413 1 249 . 1 1 28 28 VAL CG2 C 13 21.169 0.028 . 2 . . . . 28 Val CG2 . 16413 1 250 . 1 1 28 28 VAL N N 15 126.805 0.052 . 1 . . . . 28 Val N . 16413 1 251 . 1 1 29 29 VAL H H 1 8.522 0.003 . 1 . . . . 29 Val H . 16413 1 252 . 1 1 29 29 VAL HA H 1 4.745 0.002 . 1 . . . . 29 Val HA . 16413 1 253 . 1 1 29 29 VAL HB H 1 1.900 0.001 . 1 . . . . 29 Val HB . 16413 1 254 . 1 1 29 29 VAL HG11 H 1 0.245 0.005 . 2 . . . . 29 Val HG11 . 16413 1 255 . 1 1 29 29 VAL HG12 H 1 0.245 0.005 . 2 . . . . 29 Val HG12 . 16413 1 256 . 1 1 29 29 VAL HG13 H 1 0.245 0.005 . 2 . . . . 29 Val HG13 . 16413 1 257 . 1 1 29 29 VAL HG21 H 1 0.857 0.004 . 2 . . . . 29 Val HG21 . 16413 1 258 . 1 1 29 29 VAL HG22 H 1 0.857 0.004 . 2 . . . . 29 Val HG22 . 16413 1 259 . 1 1 29 29 VAL HG23 H 1 0.857 0.004 . 2 . . . . 29 Val HG23 . 16413 1 260 . 1 1 29 29 VAL C C 13 173.878 0.006 . 1 . . . . 29 Val C . 16413 1 261 . 1 1 29 29 VAL CA C 13 60.418 0.010 . 1 . . . . 29 Val CA . 16413 1 262 . 1 1 29 29 VAL CB C 13 32.393 0.078 . 1 . . . . 29 Val CB . 16413 1 263 . 1 1 29 29 VAL CG1 C 13 20.692 0.009 . 2 . . . . 29 Val CG1 . 16413 1 264 . 1 1 29 29 VAL CG2 C 13 20.463 0.005 . 2 . . . . 29 Val CG2 . 16413 1 265 . 1 1 29 29 VAL N N 15 126.334 0.076 . 1 . . . . 29 Val N . 16413 1 266 . 1 1 30 30 GLU H H 1 9.226 0.004 . 1 . . . . 30 Glu H . 16413 1 267 . 1 1 30 30 GLU HA H 1 5.199 0.003 . 1 . . . . 30 Glu HA . 16413 1 268 . 1 1 30 30 GLU HB2 H 1 1.632 0.003 . 2 . . . . 30 Glu HB2 . 16413 1 269 . 1 1 30 30 GLU HB3 H 1 1.918 0.001 . 2 . . . . 30 Glu HB3 . 16413 1 270 . 1 1 30 30 GLU HG2 H 1 1.632 0.001 . 1 . . . . 30 Glu HG2 . 16413 1 271 . 1 1 30 30 GLU HG3 H 1 1.632 0.001 . 1 . . . . 30 Glu HG3 . 16413 1 272 . 1 1 30 30 GLU C C 13 175.650 0.037 . 1 . . . . 30 Glu C . 16413 1 273 . 1 1 30 30 GLU CA C 13 53.304 0.057 . 1 . . . . 30 Glu CA . 16413 1 274 . 1 1 30 30 GLU CB C 13 31.961 0.060 . 1 . . . . 30 Glu CB . 16413 1 275 . 1 1 30 30 GLU CG C 13 36.985 0.031 . 1 . . . . 30 Glu CG . 16413 1 276 . 1 1 30 30 GLU N N 15 129.824 0.014 . 1 . . . . 30 Glu N . 16413 1 277 . 1 1 31 31 TYR H H 1 8.169 0.004 . 1 . . . . 31 Tyr H . 16413 1 278 . 1 1 31 31 TYR HA H 1 5.723 0.004 . 1 . . . . 31 Tyr HA . 16413 1 279 . 1 1 31 31 TYR HB2 H 1 2.476 0.001 . 2 . . . . 31 Tyr HB2 . 16413 1 280 . 1 1 31 31 TYR HB3 H 1 3.349 0.004 . 2 . . . . 31 Tyr HB3 . 16413 1 281 . 1 1 31 31 TYR HD1 H 1 6.494 0.008 . 3 . . . . 31 Tyr HD1 . 16413 1 282 . 1 1 31 31 TYR HD2 H 1 6.494 0.008 . 3 . . . . 31 Tyr HD2 . 16413 1 283 . 1 1 31 31 TYR HE1 H 1 6.221 0.012 . 3 . . . . 31 Tyr HE1 . 16413 1 284 . 1 1 31 31 TYR HE2 H 1 6.221 0.012 . 3 . . . . 31 Tyr HE2 . 16413 1 285 . 1 1 31 31 TYR C C 13 174.325 0.010 . 1 . . . . 31 Tyr C . 16413 1 286 . 1 1 31 31 TYR CA C 13 54.399 0.059 . 1 . . . . 31 Tyr CA . 16413 1 287 . 1 1 31 31 TYR CB C 13 43.956 0.049 . 1 . . . . 31 Tyr CB . 16413 1 288 . 1 1 31 31 TYR CD1 C 13 132.408 0.017 . 3 . . . . 31 Tyr CD1 . 16413 1 289 . 1 1 31 31 TYR CD2 C 13 132.408 0.017 . 3 . . . . 31 Tyr CD2 . 16413 1 290 . 1 1 31 31 TYR CE1 C 13 117.404 0.032 . 3 . . . . 31 Tyr CE1 . 16413 1 291 . 1 1 31 31 TYR CE2 C 13 117.404 0.032 . 3 . . . . 31 Tyr CE2 . 16413 1 292 . 1 1 31 31 TYR N N 15 119.822 0.055 . 1 . . . . 31 Tyr N . 16413 1 293 . 1 1 32 32 CYS H H 1 8.041 0.002 . 1 . . . . 32 Cys H . 16413 1 294 . 1 1 32 32 CYS HA H 1 4.337 0.003 . 1 . . . . 32 Cys HA . 16413 1 295 . 1 1 32 32 CYS HB2 H 1 2.775 0.002 . 2 . . . . 32 Cys HB2 . 16413 1 296 . 1 1 32 32 CYS HB3 H 1 4.248 0.003 . 2 . . . . 32 Cys HB3 . 16413 1 297 . 1 1 32 32 CYS C C 13 173.446 0.010 . 1 . . . . 32 Cys C . 16413 1 298 . 1 1 32 32 CYS CA C 13 53.423 0.052 . 1 . . . . 32 Cys CA . 16413 1 299 . 1 1 32 32 CYS CB C 13 40.666 0.094 . 1 . . . . 32 Cys CB . 16413 1 300 . 1 1 32 32 CYS N N 15 117.776 0.036 . 1 . . . . 32 Cys N . 16413 1 301 . 1 1 33 33 GLU H H 1 9.686 0.002 . 1 . . . . 33 Glu H . 16413 1 302 . 1 1 33 33 GLU HA H 1 4.588 0.003 . 1 . . . . 33 Glu HA . 16413 1 303 . 1 1 33 33 GLU HB2 H 1 2.345 0.008 . 1 . . . . 33 Glu HB2 . 16413 1 304 . 1 1 33 33 GLU HB3 H 1 2.345 0.008 . 1 . . . . 33 Glu HB3 . 16413 1 305 . 1 1 33 33 GLU HG2 H 1 2.494 0.009 . 1 . . . . 33 Glu HG2 . 16413 1 306 . 1 1 33 33 GLU HG3 H 1 2.494 0.009 . 1 . . . . 33 Glu HG3 . 16413 1 307 . 1 1 33 33 GLU C C 13 177.772 0.031 . 1 . . . . 33 Glu C . 16413 1 308 . 1 1 33 33 GLU CA C 13 61.229 0.038 . 1 . . . . 33 Glu CA . 16413 1 309 . 1 1 33 33 GLU CB C 13 27.579 0.012 . 1 . . . . 33 Glu CB . 16413 1 310 . 1 1 33 33 GLU N N 15 135.202 0.028 . 1 . . . . 33 Glu N . 16413 1 311 . 1 1 34 34 PRO HA H 1 4.457 0.002 . 1 . . . . 34 Pro HA . 16413 1 312 . 1 1 34 34 PRO HB2 H 1 1.841 0.002 . 2 . . . . 34 Pro HB2 . 16413 1 313 . 1 1 34 34 PRO HB3 H 1 2.331 0.002 . 2 . . . . 34 Pro HB3 . 16413 1 314 . 1 1 34 34 PRO C C 13 176.544 0.001 . 1 . . . . 34 Pro C . 16413 1 315 . 1 1 34 34 PRO CA C 13 65.844 0.052 . 1 . . . . 34 Pro CA . 16413 1 316 . 1 1 34 34 PRO CB C 13 30.670 0.045 . 1 . . . . 34 Pro CB . 16413 1 317 . 1 1 35 35 CYS H H 1 7.448 0.004 . 1 . . . . 35 Cys H . 16413 1 318 . 1 1 35 35 CYS HA H 1 4.447 0.005 . 1 . . . . 35 Cys HA . 16413 1 319 . 1 1 35 35 CYS HB2 H 1 1.880 0.007 . 2 . . . . 35 Cys HB2 . 16413 1 320 . 1 1 35 35 CYS HB3 H 1 2.482 0.008 . 2 . . . . 35 Cys HB3 . 16413 1 321 . 1 1 35 35 CYS C C 13 174.209 0.001 . 1 . . . . 35 Cys C . 16413 1 322 . 1 1 35 35 CYS CA C 13 59.899 0.040 . 1 . . . . 35 Cys CA . 16413 1 323 . 1 1 35 35 CYS CB C 13 34.416 0.004 . 1 . . . . 35 Cys CB . 16413 1 324 . 1 1 35 35 CYS N N 15 110.510 0.042 . 1 . . . . 35 Cys N . 16413 1 325 . 1 1 36 36 GLY H H 1 8.103 0.002 . 1 . . . . 36 Gly H . 16413 1 326 . 1 1 36 36 GLY HA2 H 1 4.226 0.001 . 2 . . . . 36 Gly HA2 . 16413 1 327 . 1 1 36 36 GLY HA3 H 1 4.335 0.002 . 2 . . . . 36 Gly HA3 . 16413 1 328 . 1 1 36 36 GLY C C 13 177.188 0.002 . 1 . . . . 36 Gly C . 16413 1 329 . 1 1 36 36 GLY CA C 13 45.978 0.011 . 1 . . . . 36 Gly CA . 16413 1 330 . 1 1 36 36 GLY N N 15 104.819 0.020 . 1 . . . . 36 Gly N . 16413 1 331 . 1 1 37 37 PHE H H 1 6.988 0.001 . 1 . . . . 37 Phe H . 16413 1 332 . 1 1 37 37 PHE HA H 1 5.080 0.001 . 1 . . . . 37 Phe HA . 16413 1 333 . 1 1 37 37 PHE HB2 H 1 3.647 0.007 . 2 . . . . 37 Phe HB2 . 16413 1 334 . 1 1 37 37 PHE HB3 H 1 3.932 0.015 . 2 . . . . 37 Phe HB3 . 16413 1 335 . 1 1 37 37 PHE HD1 H 1 7.644 0.002 . 3 . . . . 37 Phe HD1 . 16413 1 336 . 1 1 37 37 PHE HD2 H 1 7.644 0.002 . 3 . . . . 37 Phe HD2 . 16413 1 337 . 1 1 37 37 PHE HE1 H 1 7.424 0.005 . 3 . . . . 37 Phe HE1 . 16413 1 338 . 1 1 37 37 PHE HE2 H 1 7.424 0.005 . 3 . . . . 37 Phe HE2 . 16413 1 339 . 1 1 37 37 PHE C C 13 176.179 0.021 . 1 . . . . 37 Phe C . 16413 1 340 . 1 1 37 37 PHE CA C 13 54.863 0.009 . 1 . . . . 37 Phe CA . 16413 1 341 . 1 1 37 37 PHE CB C 13 38.022 0.021 . 1 . . . . 37 Phe CB . 16413 1 342 . 1 1 37 37 PHE CD1 C 13 131.184 0.007 . 3 . . . . 37 Phe CD1 . 16413 1 343 . 1 1 37 37 PHE CD2 C 13 131.184 0.007 . 3 . . . . 37 Phe CD2 . 16413 1 344 . 1 1 37 37 PHE N N 15 115.697 0.003 . 1 . . . . 37 Phe N . 16413 1 345 . 1 1 38 38 GLU H H 1 9.529 0.006 . 1 . . . . 38 Glu H . 16413 1 346 . 1 1 38 38 GLU HA H 1 3.365 0.004 . 1 . . . . 38 Glu HA . 16413 1 347 . 1 1 38 38 GLU HB2 H 1 2.102 0.005 . 2 . . . . 38 Glu HB2 . 16413 1 348 . 1 1 38 38 GLU HB3 H 1 2.427 0.001 . 2 . . . . 38 Glu HB3 . 16413 1 349 . 1 1 38 38 GLU HG2 H 1 2.193 0.006 . 2 . . . . 38 Glu HG2 . 16413 1 350 . 1 1 38 38 GLU HG3 H 1 2.303 0.003 . 2 . . . . 38 Glu HG3 . 16413 1 351 . 1 1 38 38 GLU C C 13 177.775 0.007 . 1 . . . . 38 Glu C . 16413 1 352 . 1 1 38 38 GLU CA C 13 60.850 0.040 . 1 . . . . 38 Glu CA . 16413 1 353 . 1 1 38 38 GLU CB C 13 29.994 0.053 . 1 . . . . 38 Glu CB . 16413 1 354 . 1 1 38 38 GLU CG C 13 36.809 0.111 . 1 . . . . 38 Glu CG . 16413 1 355 . 1 1 38 38 GLU N N 15 124.587 0.005 . 1 . . . . 38 Glu N . 16413 1 356 . 1 1 39 39 ALA H H 1 8.175 0.003 . 1 . . . . 39 Ala H . 16413 1 357 . 1 1 39 39 ALA HA H 1 3.967 0.005 . 1 . . . . 39 Ala HA . 16413 1 358 . 1 1 39 39 ALA HB1 H 1 1.435 0.003 . 1 . . . . 39 Ala HB1 . 16413 1 359 . 1 1 39 39 ALA HB2 H 1 1.435 0.003 . 1 . . . . 39 Ala HB2 . 16413 1 360 . 1 1 39 39 ALA HB3 H 1 1.435 0.003 . 1 . . . . 39 Ala HB3 . 16413 1 361 . 1 1 39 39 ALA C C 13 179.972 0.009 . 1 . . . . 39 Ala C . 16413 1 362 . 1 1 39 39 ALA CA C 13 55.877 0.011 . 1 . . . . 39 Ala CA . 16413 1 363 . 1 1 39 39 ALA CB C 13 17.984 0.011 . 1 . . . . 39 Ala CB . 16413 1 364 . 1 1 39 39 ALA N N 15 118.850 0.027 . 1 . . . . 39 Ala N . 16413 1 365 . 1 1 40 40 THR H H 1 7.219 0.001 . 1 . . . . 40 Thr H . 16413 1 366 . 1 1 40 40 THR HA H 1 3.675 0.010 . 1 . . . . 40 Thr HA . 16413 1 367 . 1 1 40 40 THR HB H 1 3.501 0.007 . 1 . . . . 40 Thr HB . 16413 1 368 . 1 1 40 40 THR HG21 H 1 0.131 0.003 . 1 . . . . 40 Thr HG21 . 16413 1 369 . 1 1 40 40 THR HG22 H 1 0.131 0.003 . 1 . . . . 40 Thr HG22 . 16413 1 370 . 1 1 40 40 THR HG23 H 1 0.131 0.003 . 1 . . . . 40 Thr HG23 . 16413 1 371 . 1 1 40 40 THR C C 13 176.570 0.009 . 1 . . . . 40 Thr C . 16413 1 372 . 1 1 40 40 THR CA C 13 66.476 0.074 . 1 . . . . 40 Thr CA . 16413 1 373 . 1 1 40 40 THR CB C 13 68.128 0.020 . 1 . . . . 40 Thr CB . 16413 1 374 . 1 1 40 40 THR CG2 C 13 21.016 0.074 . 1 . . . . 40 Thr CG2 . 16413 1 375 . 1 1 40 40 THR N N 15 115.534 0.004 . 1 . . . . 40 Thr N . 16413 1 376 . 1 1 41 41 TYR H H 1 7.709 0.002 . 1 . . . . 41 Tyr H . 16413 1 377 . 1 1 41 41 TYR HA H 1 4.177 0.003 . 1 . . . . 41 Tyr HA . 16413 1 378 . 1 1 41 41 TYR HB2 H 1 2.548 0.003 . 2 . . . . 41 Tyr HB2 . 16413 1 379 . 1 1 41 41 TYR HB3 H 1 2.794 0.004 . 2 . . . . 41 Tyr HB3 . 16413 1 380 . 1 1 41 41 TYR HD1 H 1 6.712 0.014 . 3 . . . . 41 Tyr HD1 . 16413 1 381 . 1 1 41 41 TYR HD2 H 1 6.712 0.014 . 3 . . . . 41 Tyr HD2 . 16413 1 382 . 1 1 41 41 TYR HE1 H 1 6.557 0.008 . 3 . . . . 41 Tyr HE1 . 16413 1 383 . 1 1 41 41 TYR HE2 H 1 6.557 0.008 . 3 . . . . 41 Tyr HE2 . 16413 1 384 . 1 1 41 41 TYR C C 13 175.525 0.011 . 1 . . . . 41 Tyr C . 16413 1 385 . 1 1 41 41 TYR CA C 13 61.789 0.041 . 1 . . . . 41 Tyr CA . 16413 1 386 . 1 1 41 41 TYR CB C 13 37.147 0.084 . 1 . . . . 41 Tyr CB . 16413 1 387 . 1 1 41 41 TYR CD1 C 13 133.076 0.038 . 3 . . . . 41 Tyr CD1 . 16413 1 388 . 1 1 41 41 TYR CD2 C 13 133.076 0.038 . 3 . . . . 41 Tyr CD2 . 16413 1 389 . 1 1 41 41 TYR CE1 C 13 117.713 0.026 . 3 . . . . 41 Tyr CE1 . 16413 1 390 . 1 1 41 41 TYR CE2 C 13 117.713 0.026 . 3 . . . . 41 Tyr CE2 . 16413 1 391 . 1 1 41 41 TYR N N 15 122.478 0.031 . 1 . . . . 41 Tyr N . 16413 1 392 . 1 1 42 42 LEU H H 1 8.532 0.003 . 1 . . . . 42 Leu H . 16413 1 393 . 1 1 42 42 LEU HA H 1 3.410 0.002 . 1 . . . . 42 Leu HA . 16413 1 394 . 1 1 42 42 LEU HB2 H 1 1.301 0.006 . 2 . . . . 42 Leu HB2 . 16413 1 395 . 1 1 42 42 LEU HB3 H 1 1.736 0.011 . 2 . . . . 42 Leu HB3 . 16413 1 396 . 1 1 42 42 LEU HD11 H 1 0.841 0.003 . 2 . . . . 42 Leu HD11 . 16413 1 397 . 1 1 42 42 LEU HD12 H 1 0.841 0.003 . 2 . . . . 42 Leu HD12 . 16413 1 398 . 1 1 42 42 LEU HD13 H 1 0.841 0.003 . 2 . . . . 42 Leu HD13 . 16413 1 399 . 1 1 42 42 LEU HD21 H 1 0.766 0.008 . 2 . . . . 42 Leu HD21 . 16413 1 400 . 1 1 42 42 LEU HD22 H 1 0.766 0.008 . 2 . . . . 42 Leu HD22 . 16413 1 401 . 1 1 42 42 LEU HD23 H 1 0.766 0.008 . 2 . . . . 42 Leu HD23 . 16413 1 402 . 1 1 42 42 LEU HG H 1 1.767 0.003 . 1 . . . . 42 Leu HG . 16413 1 403 . 1 1 42 42 LEU C C 13 180.475 0.015 . 1 . . . . 42 Leu C . 16413 1 404 . 1 1 42 42 LEU CA C 13 57.970 0.028 . 1 . . . . 42 Leu CA . 16413 1 405 . 1 1 42 42 LEU CB C 13 41.440 0.023 . 1 . . . . 42 Leu CB . 16413 1 406 . 1 1 42 42 LEU CD1 C 13 25.593 0.049 . 2 . . . . 42 Leu CD1 . 16413 1 407 . 1 1 42 42 LEU CD2 C 13 22.334 0.086 . 2 . . . . 42 Leu CD2 . 16413 1 408 . 1 1 42 42 LEU CG C 13 26.805 0.074 . 1 . . . . 42 Leu CG . 16413 1 409 . 1 1 42 42 LEU N N 15 119.154 0.068 . 1 . . . . 42 Leu N . 16413 1 410 . 1 1 43 43 GLU H H 1 7.761 0.002 . 1 . . . . 43 Glu H . 16413 1 411 . 1 1 43 43 GLU HA H 1 3.894 0.005 . 1 . . . . 43 Glu HA . 16413 1 412 . 1 1 43 43 GLU HB2 H 1 2.019 0.002 . 2 . . . . 43 Glu HB2 . 16413 1 413 . 1 1 43 43 GLU HB3 H 1 1.957 0.001 . 2 . . . . 43 Glu HB3 . 16413 1 414 . 1 1 43 43 GLU HG2 H 1 2.137 0.004 . 2 . . . . 43 Glu HG2 . 16413 1 415 . 1 1 43 43 GLU HG3 H 1 2.280 0.004 . 2 . . . . 43 Glu HG3 . 16413 1 416 . 1 1 43 43 GLU C C 13 179.277 0.006 . 1 . . . . 43 Glu C . 16413 1 417 . 1 1 43 43 GLU CA C 13 59.313 0.151 . 1 . . . . 43 Glu CA . 16413 1 418 . 1 1 43 43 GLU CB C 13 29.902 0.012 . 1 . . . . 43 Glu CB . 16413 1 419 . 1 1 43 43 GLU CG C 13 36.288 0.093 . 1 . . . . 43 Glu CG . 16413 1 420 . 1 1 43 43 GLU N N 15 120.160 0.023 . 1 . . . . 43 Glu N . 16413 1 421 . 1 1 44 44 LEU H H 1 7.731 0.003 . 1 . . . . 44 Leu H . 16413 1 422 . 1 1 44 44 LEU HA H 1 4.017 0.002 . 1 . . . . 44 Leu HA . 16413 1 423 . 1 1 44 44 LEU HB2 H 1 1.517 0.010 . 2 . . . . 44 Leu HB2 . 16413 1 424 . 1 1 44 44 LEU HB3 H 1 1.786 0.002 . 2 . . . . 44 Leu HB3 . 16413 1 425 . 1 1 44 44 LEU HD11 H 1 0.747 0.001 . 2 . . . . 44 Leu HD11 . 16413 1 426 . 1 1 44 44 LEU HD12 H 1 0.747 0.001 . 2 . . . . 44 Leu HD12 . 16413 1 427 . 1 1 44 44 LEU HD13 H 1 0.747 0.001 . 2 . . . . 44 Leu HD13 . 16413 1 428 . 1 1 44 44 LEU HD21 H 1 0.774 0.001 . 2 . . . . 44 Leu HD21 . 16413 1 429 . 1 1 44 44 LEU HD22 H 1 0.774 0.001 . 2 . . . . 44 Leu HD22 . 16413 1 430 . 1 1 44 44 LEU HD23 H 1 0.774 0.001 . 2 . . . . 44 Leu HD23 . 16413 1 431 . 1 1 44 44 LEU HG H 1 1.616 0.001 . 1 . . . . 44 Leu HG . 16413 1 432 . 1 1 44 44 LEU C C 13 178.174 0.026 . 1 . . . . 44 Leu C . 16413 1 433 . 1 1 44 44 LEU CA C 13 58.011 0.002 . 1 . . . . 44 Leu CA . 16413 1 434 . 1 1 44 44 LEU CB C 13 42.148 0.062 . 1 . . . . 44 Leu CB . 16413 1 435 . 1 1 44 44 LEU CD1 C 13 24.116 0.002 . 2 . . . . 44 Leu CD1 . 16413 1 436 . 1 1 44 44 LEU CD2 C 13 25.158 0.080 . 2 . . . . 44 Leu CD2 . 16413 1 437 . 1 1 44 44 LEU N N 15 121.639 0.026 . 1 . . . . 44 Leu N . 16413 1 438 . 1 1 45 45 ALA H H 1 8.846 0.004 . 1 . . . . 45 Ala H . 16413 1 439 . 1 1 45 45 ALA HA H 1 3.631 0.002 . 1 . . . . 45 Ala HA . 16413 1 440 . 1 1 45 45 ALA HB1 H 1 0.972 0.001 . 1 . . . . 45 Ala HB1 . 16413 1 441 . 1 1 45 45 ALA HB2 H 1 0.972 0.001 . 1 . . . . 45 Ala HB2 . 16413 1 442 . 1 1 45 45 ALA HB3 H 1 0.972 0.001 . 1 . . . . 45 Ala HB3 . 16413 1 443 . 1 1 45 45 ALA C C 13 179.487 0.004 . 1 . . . . 45 Ala C . 16413 1 444 . 1 1 45 45 ALA CA C 13 55.460 0.001 . 1 . . . . 45 Ala CA . 16413 1 445 . 1 1 45 45 ALA CB C 13 17.449 0.003 . 1 . . . . 45 Ala CB . 16413 1 446 . 1 1 45 45 ALA N N 15 120.697 0.048 . 1 . . . . 45 Ala N . 16413 1 447 . 1 1 46 46 SER H H 1 7.741 0.005 . 1 . . . . 46 Ser H . 16413 1 448 . 1 1 46 46 SER HA H 1 3.993 0.004 . 1 . . . . 46 Ser HA . 16413 1 449 . 1 1 46 46 SER HB2 H 1 3.853 0.005 . 1 . . . . 46 Ser HB2 . 16413 1 450 . 1 1 46 46 SER HB3 H 1 3.853 0.005 . 1 . . . . 46 Ser HB3 . 16413 1 451 . 1 1 46 46 SER C C 13 176.676 0.007 . 1 . . . . 46 Ser C . 16413 1 452 . 1 1 46 46 SER CA C 13 61.711 0.019 . 1 . . . . 46 Ser CA . 16413 1 453 . 1 1 46 46 SER CB C 13 63.005 0.128 . 1 . . . . 46 Ser CB . 16413 1 454 . 1 1 46 46 SER N N 15 111.330 0.002 . 1 . . . . 46 Ser N . 16413 1 455 . 1 1 47 47 ALA H H 1 7.441 0.002 . 1 . . . . 47 Ala H . 16413 1 456 . 1 1 47 47 ALA HA H 1 4.120 0.001 . 1 . . . . 47 Ala HA . 16413 1 457 . 1 1 47 47 ALA HB1 H 1 1.422 0.005 . 1 . . . . 47 Ala HB1 . 16413 1 458 . 1 1 47 47 ALA HB2 H 1 1.422 0.005 . 1 . . . . 47 Ala HB2 . 16413 1 459 . 1 1 47 47 ALA HB3 H 1 1.422 0.005 . 1 . . . . 47 Ala HB3 . 16413 1 460 . 1 1 47 47 ALA C C 13 181.108 0.001 . 1 . . . . 47 Ala C . 16413 1 461 . 1 1 47 47 ALA CA C 13 55.104 0.007 . 1 . . . . 47 Ala CA . 16413 1 462 . 1 1 47 47 ALA CB C 13 18.203 0.002 . 1 . . . . 47 Ala CB . 16413 1 463 . 1 1 47 47 ALA N N 15 123.478 0.018 . 1 . . . . 47 Ala N . 16413 1 464 . 1 1 48 48 VAL H H 1 8.318 0.006 . 1 . . . . 48 Val H . 16413 1 465 . 1 1 48 48 VAL HA H 1 3.651 0.001 . 1 . . . . 48 Val HA . 16413 1 466 . 1 1 48 48 VAL HB H 1 2.073 0.007 . 1 . . . . 48 Val HB . 16413 1 467 . 1 1 48 48 VAL HG11 H 1 0.901 0.002 . 1 . . . . 48 Val HG11 . 16413 1 468 . 1 1 48 48 VAL HG12 H 1 0.901 0.002 . 1 . . . . 48 Val HG12 . 16413 1 469 . 1 1 48 48 VAL HG13 H 1 0.901 0.002 . 1 . . . . 48 Val HG13 . 16413 1 470 . 1 1 48 48 VAL HG21 H 1 0.901 0.002 . 1 . . . . 48 Val HG21 . 16413 1 471 . 1 1 48 48 VAL HG22 H 1 0.901 0.002 . 1 . . . . 48 Val HG22 . 16413 1 472 . 1 1 48 48 VAL HG23 H 1 0.901 0.002 . 1 . . . . 48 Val HG23 . 16413 1 473 . 1 1 48 48 VAL C C 13 177.739 0.001 . 1 . . . . 48 Val C . 16413 1 474 . 1 1 48 48 VAL CA C 13 66.460 0.010 . 1 . . . . 48 Val CA . 16413 1 475 . 1 1 48 48 VAL CB C 13 31.402 0.005 . 1 . . . . 48 Val CB . 16413 1 476 . 1 1 48 48 VAL N N 15 115.212 0.019 . 1 . . . . 48 Val N . 16413 1 477 . 1 1 49 49 LYS H H 1 8.107 0.001 . 1 . . . . 49 Lys H . 16413 1 478 . 1 1 49 49 LYS HA H 1 3.890 0.003 . 1 . . . . 49 Lys HA . 16413 1 479 . 1 1 49 49 LYS HB2 H 1 1.783 0.003 . 1 . . . . 49 Lys HB2 . 16413 1 480 . 1 1 49 49 LYS HB3 H 1 1.783 0.003 . 1 . . . . 49 Lys HB3 . 16413 1 481 . 1 1 49 49 LYS HD2 H 1 1.622 0.004 . 1 . . . . 49 Lys HD2 . 16413 1 482 . 1 1 49 49 LYS HD3 H 1 1.622 0.004 . 1 . . . . 49 Lys HD3 . 16413 1 483 . 1 1 49 49 LYS HE2 H 1 2.914 0.002 . 1 . . . . 49 Lys HE2 . 16413 1 484 . 1 1 49 49 LYS HE3 H 1 2.914 0.002 . 1 . . . . 49 Lys HE3 . 16413 1 485 . 1 1 49 49 LYS HG2 H 1 1.398 0.005 . 1 . . . . 49 Lys HG2 . 16413 1 486 . 1 1 49 49 LYS HG3 H 1 1.398 0.005 . 1 . . . . 49 Lys HG3 . 16413 1 487 . 1 1 49 49 LYS C C 13 177.901 0.019 . 1 . . . . 49 Lys C . 16413 1 488 . 1 1 49 49 LYS CA C 13 58.528 0.027 . 1 . . . . 49 Lys CA . 16413 1 489 . 1 1 49 49 LYS CB C 13 32.512 0.068 . 1 . . . . 49 Lys CB . 16413 1 490 . 1 1 49 49 LYS CD C 13 29.412 0.089 . 1 . . . . 49 Lys CD . 16413 1 491 . 1 1 49 49 LYS CE C 13 42.090 0.087 . 1 . . . . 49 Lys CE . 16413 1 492 . 1 1 49 49 LYS CG C 13 25.607 0.166 . 1 . . . . 49 Lys CG . 16413 1 493 . 1 1 49 49 LYS N N 15 119.951 0.038 . 1 . . . . 49 Lys N . 16413 1 494 . 1 1 50 50 GLU H H 1 7.378 0.003 . 1 . . . . 50 Glu H . 16413 1 495 . 1 1 50 50 GLU HA H 1 3.887 0.003 . 1 . . . . 50 Glu HA . 16413 1 496 . 1 1 50 50 GLU HB2 H 1 1.972 0.009 . 2 . . . . 50 Glu HB2 . 16413 1 497 . 1 1 50 50 GLU HB3 H 1 2.070 0.002 . 2 . . . . 50 Glu HB3 . 16413 1 498 . 1 1 50 50 GLU HG2 H 1 2.258 0.005 . 1 . . . . 50 Glu HG2 . 16413 1 499 . 1 1 50 50 GLU HG3 H 1 2.258 0.005 . 1 . . . . 50 Glu HG3 . 16413 1 500 . 1 1 50 50 GLU C C 13 177.772 0.008 . 1 . . . . 50 Glu C . 16413 1 501 . 1 1 50 50 GLU CA C 13 58.976 0.017 . 1 . . . . 50 Glu CA . 16413 1 502 . 1 1 50 50 GLU CB C 13 29.682 0.032 . 1 . . . . 50 Glu CB . 16413 1 503 . 1 1 50 50 GLU CG C 13 36.272 0.087 . 1 . . . . 50 Glu CG . 16413 1 504 . 1 1 50 50 GLU N N 15 116.476 0.061 . 1 . . . . 50 Glu N . 16413 1 505 . 1 1 51 51 GLN H H 1 6.816 0.004 . 1 . . . . 51 Gln H . 16413 1 506 . 1 1 51 51 GLN HA H 1 3.985 0.002 . 1 . . . . 51 Gln HA . 16413 1 507 . 1 1 51 51 GLN HB2 H 1 1.694 0.001 . 1 . . . . 51 Gln HB2 . 16413 1 508 . 1 1 51 51 GLN HB3 H 1 1.694 0.001 . 1 . . . . 51 Gln HB3 . 16413 1 509 . 1 1 51 51 GLN HE21 H 1 6.686 0.002 . 1 . . . . 51 Gln HE21 . 16413 1 510 . 1 1 51 51 GLN HE22 H 1 7.376 0.002 . 1 . . . . 51 Gln HE22 . 16413 1 511 . 1 1 51 51 GLN HG2 H 1 2.018 0.003 . 2 . . . . 51 Gln HG2 . 16413 1 512 . 1 1 51 51 GLN HG3 H 1 2.104 0.002 . 2 . . . . 51 Gln HG3 . 16413 1 513 . 1 1 51 51 GLN C C 13 175.304 0.003 . 1 . . . . 51 Gln C . 16413 1 514 . 1 1 51 51 GLN CA C 13 56.729 0.029 . 1 . . . . 51 Gln CA . 16413 1 515 . 1 1 51 51 GLN CB C 13 29.997 0.044 . 1 . . . . 51 Gln CB . 16413 1 516 . 1 1 51 51 GLN CD C 13 179.026 0.007 . 1 . . . . 51 Gln CD . 16413 1 517 . 1 1 51 51 GLN CG C 13 33.851 0.003 . 1 . . . . 51 Gln CG . 16413 1 518 . 1 1 51 51 GLN N N 15 114.108 0.003 . 1 . . . . 51 Gln N . 16413 1 519 . 1 1 51 51 GLN NE2 N 15 111.972 0.044 . 1 . . . . 51 Gln NE2 . 16413 1 520 . 1 1 52 52 TYR H H 1 8.164 0.003 . 1 . . . . 52 Tyr H . 16413 1 521 . 1 1 52 52 TYR HA H 1 4.668 0.005 . 1 . . . . 52 Tyr HA . 16413 1 522 . 1 1 52 52 TYR HB2 H 1 2.754 0.003 . 1 . . . . 52 Tyr HB2 . 16413 1 523 . 1 1 52 52 TYR HB3 H 1 2.754 0.003 . 1 . . . . 52 Tyr HB3 . 16413 1 524 . 1 1 52 52 TYR HD1 H 1 6.862 0.003 . 3 . . . . 52 Tyr HD1 . 16413 1 525 . 1 1 52 52 TYR HD2 H 1 6.862 0.003 . 3 . . . . 52 Tyr HD2 . 16413 1 526 . 1 1 52 52 TYR HE1 H 1 6.703 0.013 . 3 . . . . 52 Tyr HE1 . 16413 1 527 . 1 1 52 52 TYR HE2 H 1 6.703 0.013 . 3 . . . . 52 Tyr HE2 . 16413 1 528 . 1 1 52 52 TYR C C 13 172.604 0.043 . 1 . . . . 52 Tyr C . 16413 1 529 . 1 1 52 52 TYR CA C 13 55.463 0.040 . 1 . . . . 52 Tyr CA . 16413 1 530 . 1 1 52 52 TYR CB C 13 39.364 0.044 . 1 . . . . 52 Tyr CB . 16413 1 531 . 1 1 52 52 TYR CD1 C 13 133.214 0.012 . 3 . . . . 52 Tyr CD1 . 16413 1 532 . 1 1 52 52 TYR CD2 C 13 133.214 0.012 . 3 . . . . 52 Tyr CD2 . 16413 1 533 . 1 1 52 52 TYR CE1 C 13 118.041 0.072 . 3 . . . . 52 Tyr CE1 . 16413 1 534 . 1 1 52 52 TYR CE2 C 13 118.041 0.072 . 3 . . . . 52 Tyr CE2 . 16413 1 535 . 1 1 52 52 TYR N N 15 116.618 0.057 . 1 . . . . 52 Tyr N . 16413 1 536 . 1 1 53 53 PRO HA H 1 4.496 0.004 . 1 . . . . 53 Pro HA . 16413 1 537 . 1 1 53 53 PRO HB2 H 1 1.883 0.002 . 2 . . . . 53 Pro HB2 . 16413 1 538 . 1 1 53 53 PRO HB3 H 1 2.379 0.002 . 2 . . . . 53 Pro HB3 . 16413 1 539 . 1 1 53 53 PRO HD2 H 1 3.255 0.003 . 2 . . . . 53 Pro HD2 . 16413 1 540 . 1 1 53 53 PRO HD3 H 1 3.472 0.004 . 2 . . . . 53 Pro HD3 . 16413 1 541 . 1 1 53 53 PRO HG2 H 1 1.896 0.004 . 2 . . . . 53 Pro HG2 . 16413 1 542 . 1 1 53 53 PRO HG3 H 1 1.987 0.002 . 2 . . . . 53 Pro HG3 . 16413 1 543 . 1 1 53 53 PRO C C 13 178.299 0.002 . 1 . . . . 53 Pro C . 16413 1 544 . 1 1 53 53 PRO CA C 13 64.843 0.031 . 1 . . . . 53 Pro CA . 16413 1 545 . 1 1 53 53 PRO CB C 13 31.868 0.045 . 1 . . . . 53 Pro CB . 16413 1 546 . 1 1 53 53 PRO CD C 13 50.186 0.082 . 1 . . . . 53 Pro CD . 16413 1 547 . 1 1 54 54 GLY H H 1 8.527 0.001 . 1 . . . . 54 Gly H . 16413 1 548 . 1 1 54 54 GLY HA2 H 1 3.343 0.003 . 2 . . . . 54 Gly HA2 . 16413 1 549 . 1 1 54 54 GLY HA3 H 1 4.123 0.002 . 2 . . . . 54 Gly HA3 . 16413 1 550 . 1 1 54 54 GLY C C 13 174.108 0.020 . 1 . . . . 54 Gly C . 16413 1 551 . 1 1 54 54 GLY CA C 13 45.116 0.002 . 1 . . . . 54 Gly CA . 16413 1 552 . 1 1 54 54 GLY N N 15 105.018 0.014 . 1 . . . . 54 Gly N . 16413 1 553 . 1 1 55 55 ILE H H 1 7.548 0.001 . 1 . . . . 55 Ile H . 16413 1 554 . 1 1 55 55 ILE HA H 1 4.223 0.003 . 1 . . . . 55 Ile HA . 16413 1 555 . 1 1 55 55 ILE HB H 1 1.816 0.003 . 1 . . . . 55 Ile HB . 16413 1 556 . 1 1 55 55 ILE HD11 H 1 0.638 0.005 . 1 . . . . 55 Ile HD11 . 16413 1 557 . 1 1 55 55 ILE HD12 H 1 0.638 0.005 . 1 . . . . 55 Ile HD12 . 16413 1 558 . 1 1 55 55 ILE HD13 H 1 0.638 0.005 . 1 . . . . 55 Ile HD13 . 16413 1 559 . 1 1 55 55 ILE HG12 H 1 1.221 0.004 . 1 . . . . 55 Ile HG12 . 16413 1 560 . 1 1 55 55 ILE HG13 H 1 1.221 0.004 . 1 . . . . 55 Ile HG13 . 16413 1 561 . 1 1 55 55 ILE HG21 H 1 0.893 0.003 . 1 . . . . 55 Ile HG21 . 16413 1 562 . 1 1 55 55 ILE HG22 H 1 0.893 0.003 . 1 . . . . 55 Ile HG22 . 16413 1 563 . 1 1 55 55 ILE HG23 H 1 0.893 0.003 . 1 . . . . 55 Ile HG23 . 16413 1 564 . 1 1 55 55 ILE C C 13 173.933 0.045 . 1 . . . . 55 Ile C . 16413 1 565 . 1 1 55 55 ILE CA C 13 61.731 0.027 . 1 . . . . 55 Ile CA . 16413 1 566 . 1 1 55 55 ILE CB C 13 40.039 0.079 . 1 . . . . 55 Ile CB . 16413 1 567 . 1 1 55 55 ILE CD1 C 13 16.268 0.051 . 1 . . . . 55 Ile CD1 . 16413 1 568 . 1 1 55 55 ILE CG1 C 13 28.600 0.105 . 1 . . . . 55 Ile CG1 . 16413 1 569 . 1 1 55 55 ILE CG2 C 13 18.176 0.013 . 1 . . . . 55 Ile CG2 . 16413 1 570 . 1 1 55 55 ILE N N 15 120.143 0.010 . 1 . . . . 55 Ile N . 16413 1 571 . 1 1 56 56 GLU H H 1 7.746 0.006 . 1 . . . . 56 Glu H . 16413 1 572 . 1 1 56 56 GLU HA H 1 4.673 0.003 . 1 . . . . 56 Glu HA . 16413 1 573 . 1 1 56 56 GLU HB2 H 1 1.915 0.002 . 2 . . . . 56 Glu HB2 . 16413 1 574 . 1 1 56 56 GLU HB3 H 1 2.033 0.009 . 2 . . . . 56 Glu HB3 . 16413 1 575 . 1 1 56 56 GLU HG2 H 1 2.267 0.007 . 1 . . . . 56 Glu HG2 . 16413 1 576 . 1 1 56 56 GLU HG3 H 1 2.267 0.007 . 1 . . . . 56 Glu HG3 . 16413 1 577 . 1 1 56 56 GLU C C 13 174.612 0.005 . 1 . . . . 56 Glu C . 16413 1 578 . 1 1 56 56 GLU CA C 13 55.361 0.003 . 1 . . . . 56 Glu CA . 16413 1 579 . 1 1 56 56 GLU CB C 13 31.677 0.004 . 1 . . . . 56 Glu CB . 16413 1 580 . 1 1 56 56 GLU CG C 13 36.178 0.056 . 1 . . . . 56 Glu CG . 16413 1 581 . 1 1 56 56 GLU N N 15 123.914 0.006 . 1 . . . . 56 Glu N . 16413 1 582 . 1 1 57 57 ILE H H 1 8.415 0.004 . 1 . . . . 57 Ile H . 16413 1 583 . 1 1 57 57 ILE HA H 1 5.236 0.003 . 1 . . . . 57 Ile HA . 16413 1 584 . 1 1 57 57 ILE HB H 1 1.561 0.005 . 1 . . . . 57 Ile HB . 16413 1 585 . 1 1 57 57 ILE HD11 H 1 0.734 0.004 . 1 . . . . 57 Ile HD11 . 16413 1 586 . 1 1 57 57 ILE HD12 H 1 0.734 0.004 . 1 . . . . 57 Ile HD12 . 16413 1 587 . 1 1 57 57 ILE HD13 H 1 0.734 0.004 . 1 . . . . 57 Ile HD13 . 16413 1 588 . 1 1 57 57 ILE HG12 H 1 1.063 0.004 . 1 . . . . 57 Ile HG12 . 16413 1 589 . 1 1 57 57 ILE HG13 H 1 1.063 0.004 . 1 . . . . 57 Ile HG13 . 16413 1 590 . 1 1 57 57 ILE HG21 H 1 0.895 0.003 . 1 . . . . 57 Ile HG21 . 16413 1 591 . 1 1 57 57 ILE HG22 H 1 0.895 0.003 . 1 . . . . 57 Ile HG22 . 16413 1 592 . 1 1 57 57 ILE HG23 H 1 0.895 0.003 . 1 . . . . 57 Ile HG23 . 16413 1 593 . 1 1 57 57 ILE C C 13 174.005 0.003 . 1 . . . . 57 Ile C . 16413 1 594 . 1 1 57 57 ILE CA C 13 59.752 0.081 . 1 . . . . 57 Ile CA . 16413 1 595 . 1 1 57 57 ILE CB C 13 40.902 0.048 . 1 . . . . 57 Ile CB . 16413 1 596 . 1 1 57 57 ILE CD1 C 13 14.582 0.096 . 1 . . . . 57 Ile CD1 . 16413 1 597 . 1 1 57 57 ILE CG1 C 13 28.080 0.100 . 1 . . . . 57 Ile CG1 . 16413 1 598 . 1 1 57 57 ILE CG2 C 13 16.105 0.130 . 1 . . . . 57 Ile CG2 . 16413 1 599 . 1 1 57 57 ILE N N 15 123.754 0.031 . 1 . . . . 57 Ile N . 16413 1 600 . 1 1 58 58 GLU H H 1 8.774 0.005 . 1 . . . . 58 Glu H . 16413 1 601 . 1 1 58 58 GLU HA H 1 4.782 0.003 . 1 . . . . 58 Glu HA . 16413 1 602 . 1 1 58 58 GLU HB2 H 1 1.953 0.003 . 2 . . . . 58 Glu HB2 . 16413 1 603 . 1 1 58 58 GLU HB3 H 1 2.094 0.002 . 2 . . . . 58 Glu HB3 . 16413 1 604 . 1 1 58 58 GLU HG2 H 1 2.184 0.005 . 1 . . . . 58 Glu HG2 . 16413 1 605 . 1 1 58 58 GLU HG3 H 1 2.184 0.005 . 1 . . . . 58 Glu HG3 . 16413 1 606 . 1 1 58 58 GLU C C 13 173.764 0.046 . 1 . . . . 58 Glu C . 16413 1 607 . 1 1 58 58 GLU CA C 13 54.463 0.005 . 1 . . . . 58 Glu CA . 16413 1 608 . 1 1 58 58 GLU CB C 13 34.103 0.005 . 1 . . . . 58 Glu CB . 16413 1 609 . 1 1 58 58 GLU CG C 13 36.400 0.028 . 1 . . . . 58 Glu CG . 16413 1 610 . 1 1 58 58 GLU N N 15 127.177 0.006 . 1 . . . . 58 Glu N . 16413 1 611 . 1 1 59 59 SER H H 1 8.280 0.003 . 1 . . . . 59 Ser H . 16413 1 612 . 1 1 59 59 SER HA H 1 5.402 0.002 . 1 . . . . 59 Ser HA . 16413 1 613 . 1 1 59 59 SER HB2 H 1 3.168 0.002 . 2 . . . . 59 Ser HB2 . 16413 1 614 . 1 1 59 59 SER HB3 H 1 3.612 0.003 . 2 . . . . 59 Ser HB3 . 16413 1 615 . 1 1 59 59 SER C C 13 174.098 0.008 . 1 . . . . 59 Ser C . 16413 1 616 . 1 1 59 59 SER CA C 13 55.776 0.055 . 1 . . . . 59 Ser CA . 16413 1 617 . 1 1 59 59 SER CB C 13 67.382 0.014 . 1 . . . . 59 Ser CB . 16413 1 618 . 1 1 59 59 SER N N 15 113.497 0.017 . 1 . . . . 59 Ser N . 16413 1 619 . 1 1 60 60 ARG H H 1 8.524 0.003 . 1 . . . . 60 Arg H . 16413 1 620 . 1 1 60 60 ARG HA H 1 4.420 0.003 . 1 . . . . 60 Arg HA . 16413 1 621 . 1 1 60 60 ARG HB2 H 1 1.447 0.009 . 2 . . . . 60 Arg HB2 . 16413 1 622 . 1 1 60 60 ARG HB3 H 1 1.493 0.002 . 2 . . . . 60 Arg HB3 . 16413 1 623 . 1 1 60 60 ARG HD2 H 1 2.990 0.001 . 2 . . . . 60 Arg HD2 . 16413 1 624 . 1 1 60 60 ARG HD3 H 1 3.081 0.001 . 2 . . . . 60 Arg HD3 . 16413 1 625 . 1 1 60 60 ARG HE H 1 7.311 0.003 . 1 . . . . 60 Arg HE . 16413 1 626 . 1 1 60 60 ARG HG2 H 1 1.299 0.005 . 1 . . . . 60 Arg HG2 . 16413 1 627 . 1 1 60 60 ARG HG3 H 1 1.299 0.005 . 1 . . . . 60 Arg HG3 . 16413 1 628 . 1 1 60 60 ARG C C 13 173.658 0.006 . 1 . . . . 60 Arg C . 16413 1 629 . 1 1 60 60 ARG CA C 13 54.533 0.017 . 1 . . . . 60 Arg CA . 16413 1 630 . 1 1 60 60 ARG CB C 13 34.349 0.041 . 1 . . . . 60 Arg CB . 16413 1 631 . 1 1 60 60 ARG CD C 13 43.671 0.063 . 1 . . . . 60 Arg CD . 16413 1 632 . 1 1 60 60 ARG CG C 13 27.378 0.096 . 1 . . . . 60 Arg CG . 16413 1 633 . 1 1 60 60 ARG N N 15 119.418 0.033 . 1 . . . . 60 Arg N . 16413 1 634 . 1 1 60 60 ARG NE N 15 84.638 0.004 . 1 . . . . 60 Arg NE . 16413 1 635 . 1 1 61 61 LEU H H 1 8.180 0.004 . 1 . . . . 61 Leu H . 16413 1 636 . 1 1 61 61 LEU HA H 1 4.324 0.004 . 1 . . . . 61 Leu HA . 16413 1 637 . 1 1 61 61 LEU HB2 H 1 1.540 0.004 . 1 . . . . 61 Leu HB2 . 16413 1 638 . 1 1 61 61 LEU HB3 H 1 1.540 0.004 . 1 . . . . 61 Leu HB3 . 16413 1 639 . 1 1 61 61 LEU HD11 H 1 0.808 0.011 . 2 . . . . 61 Leu HD11 . 16413 1 640 . 1 1 61 61 LEU HD12 H 1 0.808 0.011 . 2 . . . . 61 Leu HD12 . 16413 1 641 . 1 1 61 61 LEU HD13 H 1 0.808 0.011 . 2 . . . . 61 Leu HD13 . 16413 1 642 . 1 1 61 61 LEU HD21 H 1 0.536 0.003 . 2 . . . . 61 Leu HD21 . 16413 1 643 . 1 1 61 61 LEU HD22 H 1 0.536 0.003 . 2 . . . . 61 Leu HD22 . 16413 1 644 . 1 1 61 61 LEU HD23 H 1 0.536 0.003 . 2 . . . . 61 Leu HD23 . 16413 1 645 . 1 1 61 61 LEU HG H 1 1.503 0.002 . 1 . . . . 61 Leu HG . 16413 1 646 . 1 1 61 61 LEU C C 13 177.910 0.011 . 1 . . . . 61 Leu C . 16413 1 647 . 1 1 61 61 LEU CA C 13 55.189 0.031 . 1 . . . . 61 Leu CA . 16413 1 648 . 1 1 61 61 LEU CB C 13 40.621 0.053 . 1 . . . . 61 Leu CB . 16413 1 649 . 1 1 61 61 LEU CD1 C 13 25.001 0.089 . 2 . . . . 61 Leu CD1 . 16413 1 650 . 1 1 61 61 LEU CD2 C 13 22.807 0.076 . 2 . . . . 61 Leu CD2 . 16413 1 651 . 1 1 61 61 LEU CG C 13 26.887 0.055 . 1 . . . . 61 Leu CG . 16413 1 652 . 1 1 61 61 LEU N N 15 122.652 0.050 . 1 . . . . 61 Leu N . 16413 1 653 . 1 1 62 62 GLY H H 1 7.812 0.002 . 1 . . . . 62 Gly H . 16413 1 654 . 1 1 62 62 GLY HA2 H 1 3.117 0.001 . 2 . . . . 62 Gly HA2 . 16413 1 655 . 1 1 62 62 GLY HA3 H 1 4.502 0.004 . 2 . . . . 62 Gly HA3 . 16413 1 656 . 1 1 62 62 GLY C C 13 173.791 0.014 . 1 . . . . 62 Gly C . 16413 1 657 . 1 1 62 62 GLY CA C 13 43.438 0.030 . 1 . . . . 62 Gly CA . 16413 1 658 . 1 1 62 62 GLY N N 15 111.017 0.054 . 1 . . . . 62 Gly N . 16413 1 659 . 1 1 63 63 GLY H H 1 8.541 0.003 . 1 . . . . 63 Gly H . 16413 1 660 . 1 1 63 63 GLY HA2 H 1 3.707 0.001 . 2 . . . . 63 Gly HA2 . 16413 1 661 . 1 1 63 63 GLY HA3 H 1 4.206 0.003 . 2 . . . . 63 Gly HA3 . 16413 1 662 . 1 1 63 63 GLY C C 13 172.732 0.012 . 1 . . . . 63 Gly C . 16413 1 663 . 1 1 63 63 GLY CA C 13 43.826 0.045 . 1 . . . . 63 Gly CA . 16413 1 664 . 1 1 63 63 GLY N N 15 106.478 0.017 . 1 . . . . 63 Gly N . 16413 1 665 . 1 1 64 64 THR H H 1 8.058 0.001 . 1 . . . . 64 Thr H . 16413 1 666 . 1 1 64 64 THR HA H 1 3.869 0.002 . 1 . . . . 64 Thr HA . 16413 1 667 . 1 1 64 64 THR HB H 1 3.870 0.001 . 1 . . . . 64 Thr HB . 16413 1 668 . 1 1 64 64 THR HG21 H 1 1.141 0.002 . 1 . . . . 64 Thr HG21 . 16413 1 669 . 1 1 64 64 THR HG22 H 1 1.141 0.002 . 1 . . . . 64 Thr HG22 . 16413 1 670 . 1 1 64 64 THR HG23 H 1 1.141 0.002 . 1 . . . . 64 Thr HG23 . 16413 1 671 . 1 1 64 64 THR C C 13 176.009 0.018 . 1 . . . . 64 Thr C . 16413 1 672 . 1 1 64 64 THR CA C 13 65.588 0.001 . 1 . . . . 64 Thr CA . 16413 1 673 . 1 1 64 64 THR CB C 13 68.901 0.007 . 1 . . . . 64 Thr CB . 16413 1 674 . 1 1 64 64 THR CG2 C 13 21.925 0.049 . 1 . . . . 64 Thr CG2 . 16413 1 675 . 1 1 64 64 THR N N 15 113.072 0.013 . 1 . . . . 64 Thr N . 16413 1 676 . 1 1 65 65 GLY H H 1 7.073 0.001 . 1 . . . . 65 Gly H . 16413 1 677 . 1 1 65 65 GLY HA2 H 1 3.821 0.009 . 2 . . . . 65 Gly HA2 . 16413 1 678 . 1 1 65 65 GLY HA3 H 1 4.339 0.002 . 2 . . . . 65 Gly HA3 . 16413 1 679 . 1 1 65 65 GLY C C 13 173.826 0.034 . 1 . . . . 65 Gly C . 16413 1 680 . 1 1 65 65 GLY CA C 13 45.869 0.001 . 1 . . . . 65 Gly CA . 16413 1 681 . 1 1 65 65 GLY N N 15 113.009 0.061 . 1 . . . . 65 Gly N . 16413 1 682 . 1 1 66 66 ALA H H 1 7.964 0.002 . 1 . . . . 66 Ala H . 16413 1 683 . 1 1 66 66 ALA HA H 1 4.093 0.003 . 1 . . . . 66 Ala HA . 16413 1 684 . 1 1 66 66 ALA HB1 H 1 1.371 0.002 . 1 . . . . 66 Ala HB1 . 16413 1 685 . 1 1 66 66 ALA HB2 H 1 1.371 0.002 . 1 . . . . 66 Ala HB2 . 16413 1 686 . 1 1 66 66 ALA HB3 H 1 1.371 0.002 . 1 . . . . 66 Ala HB3 . 16413 1 687 . 1 1 66 66 ALA C C 13 177.972 0.001 . 1 . . . . 66 Ala C . 16413 1 688 . 1 1 66 66 ALA CA C 13 54.244 0.001 . 1 . . . . 66 Ala CA . 16413 1 689 . 1 1 66 66 ALA CB C 13 19.835 0.014 . 1 . . . . 66 Ala CB . 16413 1 690 . 1 1 66 66 ALA N N 15 123.318 0.009 . 1 . . . . 66 Ala N . 16413 1 691 . 1 1 67 67 PHE H H 1 10.114 0.006 . 1 . . . . 67 Phe H . 16413 1 692 . 1 1 67 67 PHE HA H 1 4.825 0.006 . 1 . . . . 67 Phe HA . 16413 1 693 . 1 1 67 67 PHE HB2 H 1 2.988 0.003 . 2 . . . . 67 Phe HB2 . 16413 1 694 . 1 1 67 67 PHE HB3 H 1 3.582 0.003 . 2 . . . . 67 Phe HB3 . 16413 1 695 . 1 1 67 67 PHE HD1 H 1 7.371 0.006 . 3 . . . . 67 Phe HD1 . 16413 1 696 . 1 1 67 67 PHE HD2 H 1 7.371 0.006 . 3 . . . . 67 Phe HD2 . 16413 1 697 . 1 1 67 67 PHE HE1 H 1 6.992 0.009 . 3 . . . . 67 Phe HE1 . 16413 1 698 . 1 1 67 67 PHE HE2 H 1 6.992 0.009 . 3 . . . . 67 Phe HE2 . 16413 1 699 . 1 1 67 67 PHE HZ H 1 6.768 0.010 . 1 . . . . 67 Phe HZ . 16413 1 700 . 1 1 67 67 PHE C C 13 172.533 0.017 . 1 . . . . 67 Phe C . 16413 1 701 . 1 1 67 67 PHE CA C 13 61.928 0.017 . 1 . . . . 67 Phe CA . 16413 1 702 . 1 1 67 67 PHE CB C 13 39.798 0.031 . 1 . . . . 67 Phe CB . 16413 1 703 . 1 1 67 67 PHE CD1 C 13 132.046 0.004 . 3 . . . . 67 Phe CD1 . 16413 1 704 . 1 1 67 67 PHE CD2 C 13 132.046 0.004 . 3 . . . . 67 Phe CD2 . 16413 1 705 . 1 1 67 67 PHE CE1 C 13 130.560 0.022 . 3 . . . . 67 Phe CE1 . 16413 1 706 . 1 1 67 67 PHE CE2 C 13 130.560 0.022 . 3 . . . . 67 Phe CE2 . 16413 1 707 . 1 1 67 67 PHE CZ C 13 128.512 0.062 . 1 . . . . 67 Phe CZ . 16413 1 708 . 1 1 67 67 PHE N N 15 125.736 0.024 . 1 . . . . 67 Phe N . 16413 1 709 . 1 1 68 68 GLU H H 1 9.308 0.004 . 1 . . . . 68 Glu H . 16413 1 710 . 1 1 68 68 GLU HA H 1 5.453 0.001 . 1 . . . . 68 Glu HA . 16413 1 711 . 1 1 68 68 GLU HB2 H 1 2.191 0.004 . 2 . . . . 68 Glu HB2 . 16413 1 712 . 1 1 68 68 GLU HB3 H 1 2.383 0.006 . 2 . . . . 68 Glu HB3 . 16413 1 713 . 1 1 68 68 GLU HG2 H 1 2.378 0.004 . 1 . . . . 68 Glu HG2 . 16413 1 714 . 1 1 68 68 GLU HG3 H 1 2.378 0.004 . 1 . . . . 68 Glu HG3 . 16413 1 715 . 1 1 68 68 GLU C C 13 176.553 0.006 . 1 . . . . 68 Glu C . 16413 1 716 . 1 1 68 68 GLU CA C 13 53.473 0.013 . 1 . . . . 68 Glu CA . 16413 1 717 . 1 1 68 68 GLU CB C 13 33.128 0.001 . 1 . . . . 68 Glu CB . 16413 1 718 . 1 1 68 68 GLU CG C 13 35.618 0.068 . 1 . . . . 68 Glu CG . 16413 1 719 . 1 1 68 68 GLU N N 15 126.020 0.017 . 1 . . . . 68 Glu N . 16413 1 720 . 1 1 69 69 ILE H H 1 9.611 0.006 . 1 . . . . 69 Ile H . 16413 1 721 . 1 1 69 69 ILE HA H 1 5.049 0.004 . 1 . . . . 69 Ile HA . 16413 1 722 . 1 1 69 69 ILE HB H 1 1.951 0.003 . 1 . . . . 69 Ile HB . 16413 1 723 . 1 1 69 69 ILE HD11 H 1 0.797 0.006 . 1 . . . . 69 Ile HD11 . 16413 1 724 . 1 1 69 69 ILE HD12 H 1 0.797 0.006 . 1 . . . . 69 Ile HD12 . 16413 1 725 . 1 1 69 69 ILE HD13 H 1 0.797 0.006 . 1 . . . . 69 Ile HD13 . 16413 1 726 . 1 1 69 69 ILE HG12 H 1 1.101 0.010 . 2 . . . . 69 Ile HG12 . 16413 1 727 . 1 1 69 69 ILE HG13 H 1 1.714 0.003 . 2 . . . . 69 Ile HG13 . 16413 1 728 . 1 1 69 69 ILE HG21 H 1 0.748 0.003 . 1 . . . . 69 Ile HG21 . 16413 1 729 . 1 1 69 69 ILE HG22 H 1 0.748 0.003 . 1 . . . . 69 Ile HG22 . 16413 1 730 . 1 1 69 69 ILE HG23 H 1 0.748 0.003 . 1 . . . . 69 Ile HG23 . 16413 1 731 . 1 1 69 69 ILE C C 13 174.463 0.017 . 1 . . . . 69 Ile C . 16413 1 732 . 1 1 69 69 ILE CA C 13 60.772 0.090 . 1 . . . . 69 Ile CA . 16413 1 733 . 1 1 69 69 ILE CB C 13 40.188 0.017 . 1 . . . . 69 Ile CB . 16413 1 734 . 1 1 69 69 ILE CD1 C 13 14.541 0.060 . 1 . . . . 69 Ile CD1 . 16413 1 735 . 1 1 69 69 ILE CG1 C 13 27.322 0.059 . 1 . . . . 69 Ile CG1 . 16413 1 736 . 1 1 69 69 ILE CG2 C 13 17.375 0.013 . 1 . . . . 69 Ile CG2 . 16413 1 737 . 1 1 69 69 ILE N N 15 121.885 0.022 . 1 . . . . 69 Ile N . 16413 1 738 . 1 1 70 70 GLU H H 1 9.159 0.003 . 1 . . . . 70 Glu H . 16413 1 739 . 1 1 70 70 GLU HA H 1 5.307 0.001 . 1 . . . . 70 Glu HA . 16413 1 740 . 1 1 70 70 GLU HB2 H 1 1.627 0.003 . 2 . . . . 70 Glu HB2 . 16413 1 741 . 1 1 70 70 GLU HB3 H 1 1.863 0.004 . 2 . . . . 70 Glu HB3 . 16413 1 742 . 1 1 70 70 GLU HG2 H 1 2.041 0.005 . 1 . . . . 70 Glu HG2 . 16413 1 743 . 1 1 70 70 GLU HG3 H 1 2.041 0.005 . 1 . . . . 70 Glu HG3 . 16413 1 744 . 1 1 70 70 GLU C C 13 176.216 0.004 . 1 . . . . 70 Glu C . 16413 1 745 . 1 1 70 70 GLU CA C 13 53.878 0.001 . 1 . . . . 70 Glu CA . 16413 1 746 . 1 1 70 70 GLU CB C 13 33.444 0.005 . 1 . . . . 70 Glu CB . 16413 1 747 . 1 1 70 70 GLU CG C 13 36.522 0.070 . 1 . . . . 70 Glu CG . 16413 1 748 . 1 1 70 70 GLU N N 15 128.891 0.059 . 1 . . . . 70 Glu N . 16413 1 749 . 1 1 71 71 ILE H H 1 8.893 0.004 . 1 . . . . 71 Ile H . 16413 1 750 . 1 1 71 71 ILE HA H 1 4.754 0.004 . 1 . . . . 71 Ile HA . 16413 1 751 . 1 1 71 71 ILE HB H 1 1.556 0.003 . 1 . . . . 71 Ile HB . 16413 1 752 . 1 1 71 71 ILE HD11 H 1 0.649 0.004 . 1 . . . . 71 Ile HD11 . 16413 1 753 . 1 1 71 71 ILE HD12 H 1 0.649 0.004 . 1 . . . . 71 Ile HD12 . 16413 1 754 . 1 1 71 71 ILE HD13 H 1 0.649 0.004 . 1 . . . . 71 Ile HD13 . 16413 1 755 . 1 1 71 71 ILE HG12 H 1 0.806 0.001 . 1 . . . . 71 Ile HG12 . 16413 1 756 . 1 1 71 71 ILE HG13 H 1 0.806 0.001 . 1 . . . . 71 Ile HG13 . 16413 1 757 . 1 1 71 71 ILE HG21 H 1 0.573 0.002 . 1 . . . . 71 Ile HG21 . 16413 1 758 . 1 1 71 71 ILE HG22 H 1 0.573 0.002 . 1 . . . . 71 Ile HG22 . 16413 1 759 . 1 1 71 71 ILE HG23 H 1 0.573 0.002 . 1 . . . . 71 Ile HG23 . 16413 1 760 . 1 1 71 71 ILE C C 13 175.318 0.011 . 1 . . . . 71 Ile C . 16413 1 761 . 1 1 71 71 ILE CA C 13 60.468 0.103 . 1 . . . . 71 Ile CA . 16413 1 762 . 1 1 71 71 ILE CB C 13 39.675 0.081 . 1 . . . . 71 Ile CB . 16413 1 763 . 1 1 71 71 ILE CD1 C 13 14.359 0.068 . 1 . . . . 71 Ile CD1 . 16413 1 764 . 1 1 71 71 ILE CG1 C 13 27.257 0.154 . 1 . . . . 71 Ile CG1 . 16413 1 765 . 1 1 71 71 ILE CG2 C 13 17.057 0.027 . 1 . . . . 71 Ile CG2 . 16413 1 766 . 1 1 71 71 ILE N N 15 122.271 0.003 . 1 . . . . 71 Ile N . 16413 1 767 . 1 1 72 72 ASN H H 1 9.609 0.001 . 1 . . . . 72 Asn H . 16413 1 768 . 1 1 72 72 ASN HA H 1 4.400 0.004 . 1 . . . . 72 Asn HA . 16413 1 769 . 1 1 72 72 ASN HB2 H 1 2.786 0.003 . 2 . . . . 72 Asn HB2 . 16413 1 770 . 1 1 72 72 ASN HB3 H 1 3.168 0.002 . 2 . . . . 72 Asn HB3 . 16413 1 771 . 1 1 72 72 ASN HD21 H 1 6.608 0.001 . 1 . . . . 72 Asn HD21 . 16413 1 772 . 1 1 72 72 ASN HD22 H 1 7.681 0.001 . 1 . . . . 72 Asn HD22 . 16413 1 773 . 1 1 72 72 ASN C C 13 175.718 0.005 . 1 . . . . 72 Asn C . 16413 1 774 . 1 1 72 72 ASN CA C 13 53.985 0.049 . 1 . . . . 72 Asn CA . 16413 1 775 . 1 1 72 72 ASN CB C 13 36.472 0.027 . 1 . . . . 72 Asn CB . 16413 1 776 . 1 1 72 72 ASN CG C 13 177.570 0.044 . 1 . . . . 72 Asn CG . 16413 1 777 . 1 1 72 72 ASN N N 15 128.033 0.003 . 1 . . . . 72 Asn N . 16413 1 778 . 1 1 72 72 ASN ND2 N 15 108.470 0.189 . 1 . . . . 72 Asn ND2 . 16413 1 779 . 1 1 73 73 GLY H H 1 8.784 0.001 . 1 . . . . 73 Gly H . 16413 1 780 . 1 1 73 73 GLY HA2 H 1 3.612 0.003 . 2 . . . . 73 Gly HA2 . 16413 1 781 . 1 1 73 73 GLY HA3 H 1 4.078 0.001 . 2 . . . . 73 Gly HA3 . 16413 1 782 . 1 1 73 73 GLY C C 13 173.498 0.001 . 1 . . . . 73 Gly C . 16413 1 783 . 1 1 73 73 GLY CA C 13 45.439 0.014 . 1 . . . . 73 Gly CA . 16413 1 784 . 1 1 73 73 GLY N N 15 102.637 0.014 . 1 . . . . 73 Gly N . 16413 1 785 . 1 1 74 74 GLN H H 1 7.870 0.003 . 1 . . . . 74 Gln H . 16413 1 786 . 1 1 74 74 GLN HA H 1 4.519 0.005 . 1 . . . . 74 Gln HA . 16413 1 787 . 1 1 74 74 GLN HB2 H 1 1.986 0.003 . 1 . . . . 74 Gln HB2 . 16413 1 788 . 1 1 74 74 GLN HB3 H 1 1.986 0.003 . 1 . . . . 74 Gln HB3 . 16413 1 789 . 1 1 74 74 GLN HE21 H 1 6.822 0.003 . 1 . . . . 74 Gln HE21 . 16413 1 790 . 1 1 74 74 GLN HE22 H 1 7.355 0.001 . 1 . . . . 74 Gln HE22 . 16413 1 791 . 1 1 74 74 GLN HG2 H 1 2.150 0.009 . 2 . . . . 74 Gln HG2 . 16413 1 792 . 1 1 74 74 GLN HG3 H 1 2.244 0.009 . 2 . . . . 74 Gln HG3 . 16413 1 793 . 1 1 74 74 GLN C C 13 174.992 0.003 . 1 . . . . 74 Gln C . 16413 1 794 . 1 1 74 74 GLN CA C 13 54.068 0.018 . 1 . . . . 74 Gln CA . 16413 1 795 . 1 1 74 74 GLN CB C 13 30.787 0.005 . 1 . . . . 74 Gln CB . 16413 1 796 . 1 1 74 74 GLN CD C 13 180.165 0.030 . 1 . . . . 74 Gln CD . 16413 1 797 . 1 1 74 74 GLN CG C 13 33.558 0.044 . 1 . . . . 74 Gln CG . 16413 1 798 . 1 1 74 74 GLN N N 15 120.384 0.012 . 1 . . . . 74 Gln N . 16413 1 799 . 1 1 74 74 GLN NE2 N 15 111.180 0.031 . 1 . . . . 74 Gln NE2 . 16413 1 800 . 1 1 75 75 LEU H H 1 8.770 0.002 . 1 . . . . 75 Leu H . 16413 1 801 . 1 1 75 75 LEU HA H 1 4.399 0.003 . 1 . . . . 75 Leu HA . 16413 1 802 . 1 1 75 75 LEU HB2 H 1 1.518 0.004 . 2 . . . . 75 Leu HB2 . 16413 1 803 . 1 1 75 75 LEU HB3 H 1 1.845 0.005 . 2 . . . . 75 Leu HB3 . 16413 1 804 . 1 1 75 75 LEU HD11 H 1 0.882 0.001 . 2 . . . . 75 Leu HD11 . 16413 1 805 . 1 1 75 75 LEU HD12 H 1 0.882 0.001 . 2 . . . . 75 Leu HD12 . 16413 1 806 . 1 1 75 75 LEU HD13 H 1 0.882 0.001 . 2 . . . . 75 Leu HD13 . 16413 1 807 . 1 1 75 75 LEU HD21 H 1 0.926 0.001 . 2 . . . . 75 Leu HD21 . 16413 1 808 . 1 1 75 75 LEU HD22 H 1 0.926 0.001 . 2 . . . . 75 Leu HD22 . 16413 1 809 . 1 1 75 75 LEU HD23 H 1 0.926 0.001 . 2 . . . . 75 Leu HD23 . 16413 1 810 . 1 1 75 75 LEU HG H 1 1.293 0.001 . 1 . . . . 75 Leu HG . 16413 1 811 . 1 1 75 75 LEU C C 13 176.362 0.017 . 1 . . . . 75 Leu C . 16413 1 812 . 1 1 75 75 LEU CA C 13 56.328 0.002 . 1 . . . . 75 Leu CA . 16413 1 813 . 1 1 75 75 LEU CB C 13 41.416 0.006 . 1 . . . . 75 Leu CB . 16413 1 814 . 1 1 75 75 LEU CD1 C 13 26.056 0.059 . 2 . . . . 75 Leu CD1 . 16413 1 815 . 1 1 75 75 LEU CD2 C 13 23.428 0.033 . 2 . . . . 75 Leu CD2 . 16413 1 816 . 1 1 75 75 LEU N N 15 128.561 0.005 . 1 . . . . 75 Leu N . 16413 1 817 . 1 1 76 76 VAL H H 1 8.844 0.002 . 1 . . . . 76 Val H . 16413 1 818 . 1 1 76 76 VAL HA H 1 4.539 0.001 . 1 . . . . 76 Val HA . 16413 1 819 . 1 1 76 76 VAL HB H 1 2.219 0.004 . 1 . . . . 76 Val HB . 16413 1 820 . 1 1 76 76 VAL HG11 H 1 0.872 0.001 . 1 . . . . 76 Val HG11 . 16413 1 821 . 1 1 76 76 VAL HG12 H 1 0.872 0.001 . 1 . . . . 76 Val HG12 . 16413 1 822 . 1 1 76 76 VAL HG13 H 1 0.872 0.001 . 1 . . . . 76 Val HG13 . 16413 1 823 . 1 1 76 76 VAL HG21 H 1 0.872 0.001 . 1 . . . . 76 Val HG21 . 16413 1 824 . 1 1 76 76 VAL HG22 H 1 0.872 0.001 . 1 . . . . 76 Val HG22 . 16413 1 825 . 1 1 76 76 VAL HG23 H 1 0.872 0.001 . 1 . . . . 76 Val HG23 . 16413 1 826 . 1 1 76 76 VAL C C 13 174.145 0.002 . 1 . . . . 76 Val C . 16413 1 827 . 1 1 76 76 VAL CA C 13 61.616 0.009 . 1 . . . . 76 Val CA . 16413 1 828 . 1 1 76 76 VAL CB C 13 33.932 0.001 . 1 . . . . 76 Val CB . 16413 1 829 . 1 1 76 76 VAL CG1 C 13 19.903 0.028 . 2 . . . . 76 Val CG1 . 16413 1 830 . 1 1 76 76 VAL CG2 C 13 21.481 0.035 . 2 . . . . 76 Val CG2 . 16413 1 831 . 1 1 76 76 VAL N N 15 122.199 0.050 . 1 . . . . 76 Val N . 16413 1 832 . 1 1 77 77 PHE H H 1 7.658 0.001 . 1 . . . . 77 Phe H . 16413 1 833 . 1 1 77 77 PHE HA H 1 4.688 0.001 . 1 . . . . 77 Phe HA . 16413 1 834 . 1 1 77 77 PHE HB2 H 1 2.883 0.004 . 2 . . . . 77 Phe HB2 . 16413 1 835 . 1 1 77 77 PHE HB3 H 1 2.977 0.002 . 2 . . . . 77 Phe HB3 . 16413 1 836 . 1 1 77 77 PHE HD1 H 1 7.374 0.006 . 3 . . . . 77 Phe HD1 . 16413 1 837 . 1 1 77 77 PHE HD2 H 1 7.374 0.006 . 3 . . . . 77 Phe HD2 . 16413 1 838 . 1 1 77 77 PHE C C 13 172.788 0.011 . 1 . . . . 77 Phe C . 16413 1 839 . 1 1 77 77 PHE CA C 13 58.869 0.029 . 1 . . . . 77 Phe CA . 16413 1 840 . 1 1 77 77 PHE CB C 13 43.379 0.102 . 1 . . . . 77 Phe CB . 16413 1 841 . 1 1 77 77 PHE N N 15 118.991 0.020 . 1 . . . . 77 Phe N . 16413 1 842 . 1 1 78 78 SER H H 1 7.828 0.002 . 1 . . . . 78 Ser H . 16413 1 843 . 1 1 78 78 SER HA H 1 4.969 0.002 . 1 . . . . 78 Ser HA . 16413 1 844 . 1 1 78 78 SER HB2 H 1 3.417 0.001 . 2 . . . . 78 Ser HB2 . 16413 1 845 . 1 1 78 78 SER HB3 H 1 3.545 0.001 . 2 . . . . 78 Ser HB3 . 16413 1 846 . 1 1 78 78 SER C C 13 174.041 0.032 . 1 . . . . 78 Ser C . 16413 1 847 . 1 1 78 78 SER CA C 13 55.049 0.009 . 1 . . . . 78 Ser CA . 16413 1 848 . 1 1 78 78 SER CB C 13 64.564 0.003 . 1 . . . . 78 Ser CB . 16413 1 849 . 1 1 78 78 SER N N 15 122.472 0.027 . 1 . . . . 78 Ser N . 16413 1 850 . 1 1 79 79 LYS H H 1 8.454 0.004 . 1 . . . . 79 Lys H . 16413 1 851 . 1 1 79 79 LYS HA H 1 4.120 0.002 . 1 . . . . 79 Lys HA . 16413 1 852 . 1 1 79 79 LYS HB2 H 1 1.943 0.008 . 2 . . . . 79 Lys HB2 . 16413 1 853 . 1 1 79 79 LYS HB3 H 1 2.356 0.008 . 2 . . . . 79 Lys HB3 . 16413 1 854 . 1 1 79 79 LYS C C 13 180.215 0.006 . 1 . . . . 79 Lys C . 16413 1 855 . 1 1 79 79 LYS CA C 13 59.674 0.018 . 1 . . . . 79 Lys CA . 16413 1 856 . 1 1 79 79 LYS CB C 13 35.058 0.031 . 1 . . . . 79 Lys CB . 16413 1 857 . 1 1 79 79 LYS N N 15 135.565 0.002 . 1 . . . . 79 Lys N . 16413 1 858 . 1 1 80 80 LEU H H 1 9.212 0.004 . 1 . . . . 80 Leu H . 16413 1 859 . 1 1 80 80 LEU HA H 1 3.844 0.001 . 1 . . . . 80 Leu HA . 16413 1 860 . 1 1 80 80 LEU HB2 H 1 1.253 0.008 . 2 . . . . 80 Leu HB2 . 16413 1 861 . 1 1 80 80 LEU HB3 H 1 1.597 0.006 . 2 . . . . 80 Leu HB3 . 16413 1 862 . 1 1 80 80 LEU HD11 H 1 0.758 0.001 . 1 . . . . 80 Leu HD11 . 16413 1 863 . 1 1 80 80 LEU HD12 H 1 0.758 0.001 . 1 . . . . 80 Leu HD12 . 16413 1 864 . 1 1 80 80 LEU HD13 H 1 0.758 0.001 . 1 . . . . 80 Leu HD13 . 16413 1 865 . 1 1 80 80 LEU HD21 H 1 0.758 0.001 . 1 . . . . 80 Leu HD21 . 16413 1 866 . 1 1 80 80 LEU HD22 H 1 0.758 0.001 . 1 . . . . 80 Leu HD22 . 16413 1 867 . 1 1 80 80 LEU HD23 H 1 0.758 0.001 . 1 . . . . 80 Leu HD23 . 16413 1 868 . 1 1 80 80 LEU HG H 1 1.622 0.007 . 1 . . . . 80 Leu HG . 16413 1 869 . 1 1 80 80 LEU C C 13 179.315 0.001 . 1 . . . . 80 Leu C . 16413 1 870 . 1 1 80 80 LEU CA C 13 58.669 0.025 . 1 . . . . 80 Leu CA . 16413 1 871 . 1 1 80 80 LEU CB C 13 41.187 0.074 . 1 . . . . 80 Leu CB . 16413 1 872 . 1 1 80 80 LEU CD1 C 13 25.273 0.072 . 2 . . . . 80 Leu CD1 . 16413 1 873 . 1 1 80 80 LEU CD2 C 13 25.204 0.083 . 2 . . . . 80 Leu CD2 . 16413 1 874 . 1 1 80 80 LEU N N 15 122.939 0.024 . 1 . . . . 80 Leu N . 16413 1 875 . 1 1 81 81 GLU H H 1 7.781 0.002 . 1 . . . . 81 Glu H . 16413 1 876 . 1 1 81 81 GLU HA H 1 4.067 0.001 . 1 . . . . 81 Glu HA . 16413 1 877 . 1 1 81 81 GLU HB2 H 1 1.775 0.007 . 2 . . . . 81 Glu HB2 . 16413 1 878 . 1 1 81 81 GLU HB3 H 1 1.856 0.007 . 2 . . . . 81 Glu HB3 . 16413 1 879 . 1 1 81 81 GLU HG2 H 1 2.005 0.008 . 2 . . . . 81 Glu HG2 . 16413 1 880 . 1 1 81 81 GLU HG3 H 1 2.212 0.008 . 2 . . . . 81 Glu HG3 . 16413 1 881 . 1 1 81 81 GLU C C 13 177.880 0.004 . 1 . . . . 81 Glu C . 16413 1 882 . 1 1 81 81 GLU CA C 13 58.195 0.021 . 1 . . . . 81 Glu CA . 16413 1 883 . 1 1 81 81 GLU CB C 13 31.122 0.032 . 1 . . . . 81 Glu CB . 16413 1 884 . 1 1 81 81 GLU CG C 13 37.127 0.091 . 1 . . . . 81 Glu CG . 16413 1 885 . 1 1 81 81 GLU N N 15 116.727 0.006 . 1 . . . . 81 Glu N . 16413 1 886 . 1 1 82 82 ASN H H 1 8.236 0.003 . 1 . . . . 82 Asn H . 16413 1 887 . 1 1 82 82 ASN HA H 1 4.535 0.002 . 1 . . . . 82 Asn HA . 16413 1 888 . 1 1 82 82 ASN HB2 H 1 2.528 0.008 . 2 . . . . 82 Asn HB2 . 16413 1 889 . 1 1 82 82 ASN HB3 H 1 2.578 0.008 . 2 . . . . 82 Asn HB3 . 16413 1 890 . 1 1 82 82 ASN HD21 H 1 5.962 0.002 . 1 . . . . 82 Asn HD21 . 16413 1 891 . 1 1 82 82 ASN HD22 H 1 6.102 0.003 . 1 . . . . 82 Asn HD22 . 16413 1 892 . 1 1 82 82 ASN C C 13 177.116 0.003 . 1 . . . . 82 Asn C . 16413 1 893 . 1 1 82 82 ASN CA C 13 54.970 0.024 . 1 . . . . 82 Asn CA . 16413 1 894 . 1 1 82 82 ASN CB C 13 40.127 0.037 . 1 . . . . 82 Asn CB . 16413 1 895 . 1 1 82 82 ASN CG C 13 175.362 0.009 . 1 . . . . 82 Asn CG . 16413 1 896 . 1 1 82 82 ASN N N 15 115.500 0.047 . 1 . . . . 82 Asn N . 16413 1 897 . 1 1 82 82 ASN ND2 N 15 110.950 0.028 . 1 . . . . 82 Asn ND2 . 16413 1 898 . 1 1 83 83 GLY H H 1 9.237 0.003 . 1 . . . . 83 Gly H . 16413 1 899 . 1 1 83 83 GLY HA2 H 1 3.687 0.001 . 2 . . . . 83 Gly HA2 . 16413 1 900 . 1 1 83 83 GLY HA3 H 1 4.256 0.002 . 2 . . . . 83 Gly HA3 . 16413 1 901 . 1 1 83 83 GLY C C 13 174.581 0.035 . 1 . . . . 83 Gly C . 16413 1 902 . 1 1 83 83 GLY CA C 13 45.785 0.012 . 1 . . . . 83 Gly CA . 16413 1 903 . 1 1 83 83 GLY N N 15 109.932 0.017 . 1 . . . . 83 Gly N . 16413 1 904 . 1 1 84 84 GLY H H 1 7.484 0.001 . 1 . . . . 84 Gly H . 16413 1 905 . 1 1 84 84 GLY HA2 H 1 3.660 0.001 . 2 . . . . 84 Gly HA2 . 16413 1 906 . 1 1 84 84 GLY HA3 H 1 4.099 0.001 . 2 . . . . 84 Gly HA3 . 16413 1 907 . 1 1 84 84 GLY C C 13 171.108 0.008 . 1 . . . . 84 Gly C . 16413 1 908 . 1 1 84 84 GLY CA C 13 43.988 0.002 . 1 . . . . 84 Gly CA . 16413 1 909 . 1 1 84 84 GLY N N 15 108.575 0.014 . 1 . . . . 84 Gly N . 16413 1 910 . 1 1 85 85 PHE H H 1 8.235 0.001 . 1 . . . . 85 Phe H . 16413 1 911 . 1 1 85 85 PHE HA H 1 4.476 0.012 . 1 . . . . 85 Phe HA . 16413 1 912 . 1 1 85 85 PHE HB2 H 1 2.084 0.003 . 2 . . . . 85 Phe HB2 . 16413 1 913 . 1 1 85 85 PHE HB3 H 1 2.653 0.006 . 2 . . . . 85 Phe HB3 . 16413 1 914 . 1 1 85 85 PHE HD1 H 1 6.318 0.010 . 3 . . . . 85 Phe HD1 . 16413 1 915 . 1 1 85 85 PHE HD2 H 1 6.318 0.010 . 3 . . . . 85 Phe HD2 . 16413 1 916 . 1 1 85 85 PHE C C 13 173.309 0.042 . 1 . . . . 85 Phe C . 16413 1 917 . 1 1 85 85 PHE CA C 13 55.335 0.044 . 1 . . . . 85 Phe CA . 16413 1 918 . 1 1 85 85 PHE CB C 13 39.099 0.104 . 1 . . . . 85 Phe CB . 16413 1 919 . 1 1 85 85 PHE N N 15 114.240 0.025 . 1 . . . . 85 Phe N . 16413 1 920 . 1 1 86 86 PRO HA H 1 4.024 0.002 . 1 . . . . 86 Pro HA . 16413 1 921 . 1 1 86 86 PRO HB2 H 1 0.573 0.001 . 2 . . . . 86 Pro HB2 . 16413 1 922 . 1 1 86 86 PRO HB3 H 1 1.195 0.001 . 2 . . . . 86 Pro HB3 . 16413 1 923 . 1 1 86 86 PRO HD2 H 1 3.029 0.003 . 2 . . . . 86 Pro HD2 . 16413 1 924 . 1 1 86 86 PRO HD3 H 1 3.190 0.003 . 2 . . . . 86 Pro HD3 . 16413 1 925 . 1 1 86 86 PRO HG2 H 1 0.985 0.004 . 2 . . . . 86 Pro HG2 . 16413 1 926 . 1 1 86 86 PRO HG3 H 1 1.608 0.004 . 2 . . . . 86 Pro HG3 . 16413 1 927 . 1 1 86 86 PRO C C 13 177.143 0.013 . 1 . . . . 86 Pro C . 16413 1 928 . 1 1 86 86 PRO CA C 13 62.364 0.019 . 1 . . . . 86 Pro CA . 16413 1 929 . 1 1 86 86 PRO CB C 13 30.108 0.019 . 1 . . . . 86 Pro CB . 16413 1 930 . 1 1 86 86 PRO CD C 13 48.640 0.010 . 1 . . . . 86 Pro CD . 16413 1 931 . 1 1 86 86 PRO CG C 13 26.489 0.031 . 1 . . . . 86 Pro CG . 16413 1 932 . 1 1 87 87 TYR H H 1 9.784 0.001 . 1 . . . . 87 Tyr H . 16413 1 933 . 1 1 87 87 TYR HA H 1 4.276 0.002 . 1 . . . . 87 Tyr HA . 16413 1 934 . 1 1 87 87 TYR HB2 H 1 2.877 0.006 . 2 . . . . 87 Tyr HB2 . 16413 1 935 . 1 1 87 87 TYR HB3 H 1 2.957 0.002 . 2 . . . . 87 Tyr HB3 . 16413 1 936 . 1 1 87 87 TYR HD1 H 1 7.149 0.005 . 3 . . . . 87 Tyr HD1 . 16413 1 937 . 1 1 87 87 TYR HD2 H 1 7.149 0.005 . 3 . . . . 87 Tyr HD2 . 16413 1 938 . 1 1 87 87 TYR HE1 H 1 6.645 0.006 . 3 . . . . 87 Tyr HE1 . 16413 1 939 . 1 1 87 87 TYR HE2 H 1 6.645 0.006 . 3 . . . . 87 Tyr HE2 . 16413 1 940 . 1 1 87 87 TYR C C 13 177.747 0.003 . 1 . . . . 87 Tyr C . 16413 1 941 . 1 1 87 87 TYR CA C 13 58.866 0.003 . 1 . . . . 87 Tyr CA . 16413 1 942 . 1 1 87 87 TYR CB C 13 37.625 0.044 . 1 . . . . 87 Tyr CB . 16413 1 943 . 1 1 87 87 TYR CD1 C 13 133.455 0.001 . 3 . . . . 87 Tyr CD1 . 16413 1 944 . 1 1 87 87 TYR CD2 C 13 133.455 0.001 . 3 . . . . 87 Tyr CD2 . 16413 1 945 . 1 1 87 87 TYR CE1 C 13 118.071 0.001 . 3 . . . . 87 Tyr CE1 . 16413 1 946 . 1 1 87 87 TYR CE2 C 13 118.071 0.001 . 3 . . . . 87 Tyr CE2 . 16413 1 947 . 1 1 87 87 TYR N N 15 120.456 0.063 . 1 . . . . 87 Tyr N . 16413 1 948 . 1 1 88 88 GLU H H 1 9.403 0.001 . 1 . . . . 88 Glu H . 16413 1 949 . 1 1 88 88 GLU HA H 1 3.539 0.003 . 1 . . . . 88 Glu HA . 16413 1 950 . 1 1 88 88 GLU HB2 H 1 1.862 0.001 . 2 . . . . 88 Glu HB2 . 16413 1 951 . 1 1 88 88 GLU HB3 H 1 2.000 0.004 . 2 . . . . 88 Glu HB3 . 16413 1 952 . 1 1 88 88 GLU HG2 H 1 2.063 0.008 . 2 . . . . 88 Glu HG2 . 16413 1 953 . 1 1 88 88 GLU HG3 H 1 2.150 0.008 . 2 . . . . 88 Glu HG3 . 16413 1 954 . 1 1 88 88 GLU C C 13 178.404 0.006 . 1 . . . . 88 Glu C . 16413 1 955 . 1 1 88 88 GLU CA C 13 61.118 0.068 . 1 . . . . 88 Glu CA . 16413 1 956 . 1 1 88 88 GLU CB C 13 29.265 0.027 . 1 . . . . 88 Glu CB . 16413 1 957 . 1 1 88 88 GLU N N 15 126.106 0.008 . 1 . . . . 88 Glu N . 16413 1 958 . 1 1 89 89 LYS H H 1 8.666 0.001 . 1 . . . . 89 Lys H . 16413 1 959 . 1 1 89 89 LYS HA H 1 3.950 0.003 . 1 . . . . 89 Lys HA . 16413 1 960 . 1 1 89 89 LYS HB2 H 1 1.660 0.002 . 2 . . . . 89 Lys HB2 . 16413 1 961 . 1 1 89 89 LYS HB3 H 1 1.809 0.006 . 2 . . . . 89 Lys HB3 . 16413 1 962 . 1 1 89 89 LYS HD2 H 1 1.547 0.002 . 1 . . . . 89 Lys HD2 . 16413 1 963 . 1 1 89 89 LYS HD3 H 1 1.547 0.002 . 1 . . . . 89 Lys HD3 . 16413 1 964 . 1 1 89 89 LYS HE2 H 1 2.808 0.004 . 1 . . . . 89 Lys HE2 . 16413 1 965 . 1 1 89 89 LYS HE3 H 1 2.808 0.004 . 1 . . . . 89 Lys HE3 . 16413 1 966 . 1 1 89 89 LYS HG2 H 1 1.308 0.002 . 2 . . . . 89 Lys HG2 . 16413 1 967 . 1 1 89 89 LYS HG3 H 1 1.382 0.008 . 2 . . . . 89 Lys HG3 . 16413 1 968 . 1 1 89 89 LYS C C 13 178.643 0.011 . 1 . . . . 89 Lys C . 16413 1 969 . 1 1 89 89 LYS CA C 13 59.625 0.013 . 1 . . . . 89 Lys CA . 16413 1 970 . 1 1 89 89 LYS CB C 13 32.072 0.093 . 1 . . . . 89 Lys CB . 16413 1 971 . 1 1 89 89 LYS CE C 13 42.446 0.097 . 1 . . . . 89 Lys CE . 16413 1 972 . 1 1 89 89 LYS N N 15 115.935 0.025 . 1 . . . . 89 Lys N . 16413 1 973 . 1 1 90 90 ASP H H 1 6.936 0.004 . 1 . . . . 90 Asp H . 16413 1 974 . 1 1 90 90 ASP HA H 1 4.563 0.002 . 1 . . . . 90 Asp HA . 16413 1 975 . 1 1 90 90 ASP HB2 H 1 2.713 0.007 . 2 . . . . 90 Asp HB2 . 16413 1 976 . 1 1 90 90 ASP HB3 H 1 2.910 0.006 . 2 . . . . 90 Asp HB3 . 16413 1 977 . 1 1 90 90 ASP C C 13 179.067 0.003 . 1 . . . . 90 Asp C . 16413 1 978 . 1 1 90 90 ASP CA C 13 57.138 0.035 . 1 . . . . 90 Asp CA . 16413 1 979 . 1 1 90 90 ASP CB C 13 40.798 0.018 . 1 . . . . 90 Asp CB . 16413 1 980 . 1 1 90 90 ASP N N 15 117.933 0.021 . 1 . . . . 90 Asp N . 16413 1 981 . 1 1 91 91 LEU H H 1 7.391 0.002 . 1 . . . . 91 Leu H . 16413 1 982 . 1 1 91 91 LEU HA H 1 4.073 0.003 . 1 . . . . 91 Leu HA . 16413 1 983 . 1 1 91 91 LEU HB2 H 1 1.470 0.009 . 2 . . . . 91 Leu HB2 . 16413 1 984 . 1 1 91 91 LEU HB3 H 1 1.577 0.009 . 2 . . . . 91 Leu HB3 . 16413 1 985 . 1 1 91 91 LEU HD11 H 1 0.703 0.001 . 2 . . . . 91 Leu HD11 . 16413 1 986 . 1 1 91 91 LEU HD12 H 1 0.703 0.001 . 2 . . . . 91 Leu HD12 . 16413 1 987 . 1 1 91 91 LEU HD13 H 1 0.703 0.001 . 2 . . . . 91 Leu HD13 . 16413 1 988 . 1 1 91 91 LEU HD21 H 1 0.779 0.007 . 2 . . . . 91 Leu HD21 . 16413 1 989 . 1 1 91 91 LEU HD22 H 1 0.779 0.007 . 2 . . . . 91 Leu HD22 . 16413 1 990 . 1 1 91 91 LEU HD23 H 1 0.779 0.007 . 2 . . . . 91 Leu HD23 . 16413 1 991 . 1 1 91 91 LEU HG H 1 1.609 0.009 . 1 . . . . 91 Leu HG . 16413 1 992 . 1 1 91 91 LEU C C 13 177.950 0.007 . 1 . . . . 91 Leu C . 16413 1 993 . 1 1 91 91 LEU CA C 13 57.173 0.017 . 1 . . . . 91 Leu CA . 16413 1 994 . 1 1 91 91 LEU CB C 13 41.613 0.008 . 1 . . . . 91 Leu CB . 16413 1 995 . 1 1 91 91 LEU CD1 C 13 24.719 0.063 . 2 . . . . 91 Leu CD1 . 16413 1 996 . 1 1 91 91 LEU CD2 C 13 24.624 0.086 . 2 . . . . 91 Leu CD2 . 16413 1 997 . 1 1 91 91 LEU CG C 13 26.943 0.029 . 1 . . . . 91 Leu CG . 16413 1 998 . 1 1 91 91 LEU N N 15 121.227 0.008 . 1 . . . . 91 Leu N . 16413 1 999 . 1 1 92 92 ILE H H 1 8.459 0.004 . 1 . . . . 92 Ile H . 16413 1 1000 . 1 1 92 92 ILE HA H 1 3.732 0.004 . 1 . . . . 92 Ile HA . 16413 1 1001 . 1 1 92 92 ILE HB H 1 2.073 0.004 . 1 . . . . 92 Ile HB . 16413 1 1002 . 1 1 92 92 ILE HD11 H 1 0.753 0.002 . 1 . . . . 92 Ile HD11 . 16413 1 1003 . 1 1 92 92 ILE HD12 H 1 0.753 0.002 . 1 . . . . 92 Ile HD12 . 16413 1 1004 . 1 1 92 92 ILE HD13 H 1 0.753 0.002 . 1 . . . . 92 Ile HD13 . 16413 1 1005 . 1 1 92 92 ILE HG12 H 1 1.359 0.005 . 2 . . . . 92 Ile HG12 . 16413 1 1006 . 1 1 92 92 ILE HG13 H 1 1.619 0.003 . 2 . . . . 92 Ile HG13 . 16413 1 1007 . 1 1 92 92 ILE HG21 H 1 1.034 0.006 . 1 . . . . 92 Ile HG21 . 16413 1 1008 . 1 1 92 92 ILE HG22 H 1 1.034 0.006 . 1 . . . . 92 Ile HG22 . 16413 1 1009 . 1 1 92 92 ILE HG23 H 1 1.034 0.006 . 1 . . . . 92 Ile HG23 . 16413 1 1010 . 1 1 92 92 ILE C C 13 178.480 0.019 . 1 . . . . 92 Ile C . 16413 1 1011 . 1 1 92 92 ILE CA C 13 64.558 0.078 . 1 . . . . 92 Ile CA . 16413 1 1012 . 1 1 92 92 ILE CB C 13 36.711 0.069 . 1 . . . . 92 Ile CB . 16413 1 1013 . 1 1 92 92 ILE CD1 C 13 11.671 0.016 . 1 . . . . 92 Ile CD1 . 16413 1 1014 . 1 1 92 92 ILE CG1 C 13 29.196 0.162 . 1 . . . . 92 Ile CG1 . 16413 1 1015 . 1 1 92 92 ILE CG2 C 13 17.558 0.076 . 1 . . . . 92 Ile CG2 . 16413 1 1016 . 1 1 92 92 ILE N N 15 119.413 0.029 . 1 . . . . 92 Ile N . 16413 1 1017 . 1 1 93 93 GLU H H 1 7.690 0.003 . 1 . . . . 93 Glu H . 16413 1 1018 . 1 1 93 93 GLU HA H 1 4.366 0.006 . 1 . . . . 93 Glu HA . 16413 1 1019 . 1 1 93 93 GLU HB2 H 1 2.025 0.002 . 2 . . . . 93 Glu HB2 . 16413 1 1020 . 1 1 93 93 GLU HB3 H 1 2.139 0.006 . 2 . . . . 93 Glu HB3 . 16413 1 1021 . 1 1 93 93 GLU HG2 H 1 2.261 0.004 . 2 . . . . 93 Glu HG2 . 16413 1 1022 . 1 1 93 93 GLU HG3 H 1 2.432 0.001 . 2 . . . . 93 Glu HG3 . 16413 1 1023 . 1 1 93 93 GLU C C 13 177.796 0.003 . 1 . . . . 93 Glu C . 16413 1 1024 . 1 1 93 93 GLU CA C 13 58.675 0.067 . 1 . . . . 93 Glu CA . 16413 1 1025 . 1 1 93 93 GLU CB C 13 28.732 0.035 . 1 . . . . 93 Glu CB . 16413 1 1026 . 1 1 93 93 GLU CG C 13 35.263 0.048 . 1 . . . . 93 Glu CG . 16413 1 1027 . 1 1 93 93 GLU N N 15 120.784 0.026 . 1 . . . . 93 Glu N . 16413 1 1028 . 1 1 94 94 ALA H H 1 7.648 0.002 . 1 . . . . 94 Ala H . 16413 1 1029 . 1 1 94 94 ALA HA H 1 4.065 0.004 . 1 . . . . 94 Ala HA . 16413 1 1030 . 1 1 94 94 ALA HB1 H 1 1.506 0.002 . 1 . . . . 94 Ala HB1 . 16413 1 1031 . 1 1 94 94 ALA HB2 H 1 1.506 0.002 . 1 . . . . 94 Ala HB2 . 16413 1 1032 . 1 1 94 94 ALA HB3 H 1 1.506 0.002 . 1 . . . . 94 Ala HB3 . 16413 1 1033 . 1 1 94 94 ALA C C 13 179.314 0.007 . 1 . . . . 94 Ala C . 16413 1 1034 . 1 1 94 94 ALA CA C 13 55.419 0.030 . 1 . . . . 94 Ala CA . 16413 1 1035 . 1 1 94 94 ALA CB C 13 18.166 0.035 . 1 . . . . 94 Ala CB . 16413 1 1036 . 1 1 94 94 ALA N N 15 122.300 0.010 . 1 . . . . 94 Ala N . 16413 1 1037 . 1 1 95 95 ILE H H 1 8.039 0.001 . 1 . . . . 95 Ile H . 16413 1 1038 . 1 1 95 95 ILE HA H 1 3.251 0.003 . 1 . . . . 95 Ile HA . 16413 1 1039 . 1 1 95 95 ILE HB H 1 1.530 0.005 . 1 . . . . 95 Ile HB . 16413 1 1040 . 1 1 95 95 ILE HD11 H 1 0.622 0.005 . 1 . . . . 95 Ile HD11 . 16413 1 1041 . 1 1 95 95 ILE HD12 H 1 0.622 0.005 . 1 . . . . 95 Ile HD12 . 16413 1 1042 . 1 1 95 95 ILE HD13 H 1 0.622 0.005 . 1 . . . . 95 Ile HD13 . 16413 1 1043 . 1 1 95 95 ILE HG12 H 1 0.587 0.005 . 2 . . . . 95 Ile HG12 . 16413 1 1044 . 1 1 95 95 ILE HG13 H 1 1.755 0.006 . 2 . . . . 95 Ile HG13 . 16413 1 1045 . 1 1 95 95 ILE HG21 H 1 -0.096 0.002 . 1 . . . . 95 Ile HG21 . 16413 1 1046 . 1 1 95 95 ILE HG22 H 1 -0.096 0.002 . 1 . . . . 95 Ile HG22 . 16413 1 1047 . 1 1 95 95 ILE HG23 H 1 -0.096 0.002 . 1 . . . . 95 Ile HG23 . 16413 1 1048 . 1 1 95 95 ILE C C 13 177.667 0.006 . 1 . . . . 95 Ile C . 16413 1 1049 . 1 1 95 95 ILE CA C 13 65.448 0.031 . 1 . . . . 95 Ile CA . 16413 1 1050 . 1 1 95 95 ILE CB C 13 37.827 0.053 . 1 . . . . 95 Ile CB . 16413 1 1051 . 1 1 95 95 ILE CD1 C 13 15.753 0.065 . 1 . . . . 95 Ile CD1 . 16413 1 1052 . 1 1 95 95 ILE CG1 C 13 29.955 0.080 . 1 . . . . 95 Ile CG1 . 16413 1 1053 . 1 1 95 95 ILE CG2 C 13 16.497 0.066 . 1 . . . . 95 Ile CG2 . 16413 1 1054 . 1 1 95 95 ILE N N 15 117.817 0.064 . 1 . . . . 95 Ile N . 16413 1 1055 . 1 1 96 96 ARG H H 1 8.046 0.002 . 1 . . . . 96 Arg H . 16413 1 1056 . 1 1 96 96 ARG HA H 1 3.694 0.006 . 1 . . . . 96 Arg HA . 16413 1 1057 . 1 1 96 96 ARG HB2 H 1 2.027 0.006 . 2 . . . . 96 Arg HB2 . 16413 1 1058 . 1 1 96 96 ARG HB3 H 1 2.083 0.007 . 2 . . . . 96 Arg HB3 . 16413 1 1059 . 1 1 96 96 ARG HD2 H 1 3.084 0.006 . 2 . . . . 96 Arg HD2 . 16413 1 1060 . 1 1 96 96 ARG HD3 H 1 3.320 0.006 . 2 . . . . 96 Arg HD3 . 16413 1 1061 . 1 1 96 96 ARG HE H 1 7.883 0.001 . 1 . . . . 96 Arg HE . 16413 1 1062 . 1 1 96 96 ARG HG2 H 1 1.497 0.007 . 2 . . . . 96 Arg HG2 . 16413 1 1063 . 1 1 96 96 ARG HG3 H 1 1.672 0.007 . 2 . . . . 96 Arg HG3 . 16413 1 1064 . 1 1 96 96 ARG C C 13 179.825 0.017 . 1 . . . . 96 Arg C . 16413 1 1065 . 1 1 96 96 ARG CA C 13 60.226 0.071 . 1 . . . . 96 Arg CA . 16413 1 1066 . 1 1 96 96 ARG CB C 13 29.444 0.084 . 1 . . . . 96 Arg CB . 16413 1 1067 . 1 1 96 96 ARG CD C 13 42.868 0.068 . 1 . . . . 96 Arg CD . 16413 1 1068 . 1 1 96 96 ARG CG C 13 26.472 0.047 . 1 . . . . 96 Arg CG . 16413 1 1069 . 1 1 96 96 ARG N N 15 123.765 0.009 . 1 . . . . 96 Arg N . 16413 1 1070 . 1 1 96 96 ARG NE N 15 82.872 0.022 . 1 . . . . 96 Arg NE . 16413 1 1071 . 1 1 97 97 ARG H H 1 8.038 0.005 . 1 . . . . 97 Arg H . 16413 1 1072 . 1 1 97 97 ARG HA H 1 3.829 0.005 . 1 . . . . 97 Arg HA . 16413 1 1073 . 1 1 97 97 ARG HB2 H 1 1.599 0.005 . 2 . . . . 97 Arg HB2 . 16413 1 1074 . 1 1 97 97 ARG HB3 H 1 1.867 0.008 . 2 . . . . 97 Arg HB3 . 16413 1 1075 . 1 1 97 97 ARG HD2 H 1 3.180 0.006 . 1 . . . . 97 Arg HD2 . 16413 1 1076 . 1 1 97 97 ARG HD3 H 1 3.180 0.006 . 1 . . . . 97 Arg HD3 . 16413 1 1077 . 1 1 97 97 ARG HE H 1 7.564 0.002 . 1 . . . . 97 Arg HE . 16413 1 1078 . 1 1 97 97 ARG HG2 H 1 1.525 0.006 . 2 . . . . 97 Arg HG2 . 16413 1 1079 . 1 1 97 97 ARG HG3 H 1 1.895 0.007 . 2 . . . . 97 Arg HG3 . 16413 1 1080 . 1 1 97 97 ARG C C 13 179.085 0.010 . 1 . . . . 97 Arg C . 16413 1 1081 . 1 1 97 97 ARG CA C 13 60.326 0.048 . 1 . . . . 97 Arg CA . 16413 1 1082 . 1 1 97 97 ARG CB C 13 30.161 0.038 . 1 . . . . 97 Arg CB . 16413 1 1083 . 1 1 97 97 ARG CD C 13 43.785 0.070 . 1 . . . . 97 Arg CD . 16413 1 1084 . 1 1 97 97 ARG CG C 13 28.454 0.067 . 1 . . . . 97 Arg CG . 16413 1 1085 . 1 1 97 97 ARG N N 15 118.593 0.048 . 1 . . . . 97 Arg N . 16413 1 1086 . 1 1 97 97 ARG NE N 15 84.926 0.013 . 1 . . . . 97 Arg NE . 16413 1 1087 . 1 1 98 98 ALA H H 1 8.443 0.002 . 1 . . . . 98 Ala H . 16413 1 1088 . 1 1 98 98 ALA HA H 1 4.126 0.002 . 1 . . . . 98 Ala HA . 16413 1 1089 . 1 1 98 98 ALA HB1 H 1 1.403 0.001 . 1 . . . . 98 Ala HB1 . 16413 1 1090 . 1 1 98 98 ALA HB2 H 1 1.403 0.001 . 1 . . . . 98 Ala HB2 . 16413 1 1091 . 1 1 98 98 ALA HB3 H 1 1.403 0.001 . 1 . . . . 98 Ala HB3 . 16413 1 1092 . 1 1 98 98 ALA C C 13 181.722 0.005 . 1 . . . . 98 Ala C . 16413 1 1093 . 1 1 98 98 ALA CA C 13 54.844 0.004 . 1 . . . . 98 Ala CA . 16413 1 1094 . 1 1 98 98 ALA CB C 13 18.530 0.002 . 1 . . . . 98 Ala CB . 16413 1 1095 . 1 1 98 98 ALA N N 15 122.269 0.003 . 1 . . . . 98 Ala N . 16413 1 1096 . 1 1 99 99 SER H H 1 8.604 0.002 . 1 . . . . 99 Ser H . 16413 1 1097 . 1 1 99 99 SER HA H 1 4.023 0.004 . 1 . . . . 99 Ser HA . 16413 1 1098 . 1 1 99 99 SER HB2 H 1 3.819 0.001 . 1 . . . . 99 Ser HB2 . 16413 1 1099 . 1 1 99 99 SER HB3 H 1 3.819 0.001 . 1 . . . . 99 Ser HB3 . 16413 1 1100 . 1 1 99 99 SER C C 13 174.546 0.015 . 1 . . . . 99 Ser C . 16413 1 1101 . 1 1 99 99 SER CA C 13 61.262 0.003 . 1 . . . . 99 Ser CA . 16413 1 1102 . 1 1 99 99 SER CB C 13 63.084 0.004 . 1 . . . . 99 Ser CB . 16413 1 1103 . 1 1 99 99 SER N N 15 115.014 0.009 . 1 . . . . 99 Ser N . 16413 1 1104 . 1 1 100 100 ASN H H 1 7.495 0.001 . 1 . . . . 100 Asn H . 16413 1 1105 . 1 1 100 100 ASN HA H 1 4.889 0.002 . 1 . . . . 100 Asn HA . 16413 1 1106 . 1 1 100 100 ASN HB2 H 1 2.725 0.001 . 2 . . . . 100 Asn HB2 . 16413 1 1107 . 1 1 100 100 ASN HB3 H 1 3.012 0.002 . 2 . . . . 100 Asn HB3 . 16413 1 1108 . 1 1 100 100 ASN HD21 H 1 6.768 0.002 . 1 . . . . 100 Asn HD21 . 16413 1 1109 . 1 1 100 100 ASN HD22 H 1 7.827 0.002 . 1 . . . . 100 Asn HD22 . 16413 1 1110 . 1 1 100 100 ASN C C 13 175.466 0.007 . 1 . . . . 100 Asn C . 16413 1 1111 . 1 1 100 100 ASN CA C 13 52.843 0.002 . 1 . . . . 100 Asn CA . 16413 1 1112 . 1 1 100 100 ASN CB C 13 40.148 0.003 . 1 . . . . 100 Asn CB . 16413 1 1113 . 1 1 100 100 ASN CG C 13 177.240 0.068 . 1 . . . . 100 Asn CG . 16413 1 1114 . 1 1 100 100 ASN N N 15 118.082 0.005 . 1 . . . . 100 Asn N . 16413 1 1115 . 1 1 100 100 ASN ND2 N 15 112.788 0.001 . 1 . . . . 100 Asn ND2 . 16413 1 1116 . 1 1 101 101 GLY H H 1 7.799 0.001 . 1 . . . . 101 Gly H . 16413 1 1117 . 1 1 101 101 GLY HA2 H 1 3.805 0.002 . 2 . . . . 101 Gly HA2 . 16413 1 1118 . 1 1 101 101 GLY HA3 H 1 4.017 0.003 . 2 . . . . 101 Gly HA3 . 16413 1 1119 . 1 1 101 101 GLY C C 13 174.794 0.038 . 1 . . . . 101 Gly C . 16413 1 1120 . 1 1 101 101 GLY CA C 13 46.328 0.001 . 1 . . . . 101 Gly CA . 16413 1 1121 . 1 1 101 101 GLY N N 15 108.097 0.055 . 1 . . . . 101 Gly N . 16413 1 1122 . 1 1 102 102 GLU H H 1 7.828 0.003 . 1 . . . . 102 Glu H . 16413 1 1123 . 1 1 102 102 GLU HA H 1 4.325 0.002 . 1 . . . . 102 Glu HA . 16413 1 1124 . 1 1 102 102 GLU HB2 H 1 1.613 0.004 . 2 . . . . 102 Glu HB2 . 16413 1 1125 . 1 1 102 102 GLU HB3 H 1 2.083 0.004 . 2 . . . . 102 Glu HB3 . 16413 1 1126 . 1 1 102 102 GLU C C 13 176.071 0.007 . 1 . . . . 102 Glu C . 16413 1 1127 . 1 1 102 102 GLU CA C 13 55.745 0.026 . 1 . . . . 102 Glu CA . 16413 1 1128 . 1 1 102 102 GLU CB C 13 31.257 0.065 . 1 . . . . 102 Glu CB . 16413 1 1129 . 1 1 102 102 GLU CG C 13 35.645 0.081 . 1 . . . . 102 Glu CG . 16413 1 1130 . 1 1 102 102 GLU N N 15 119.411 0.054 . 1 . . . . 102 Glu N . 16413 1 1131 . 1 1 103 103 THR H H 1 8.228 0.002 . 1 . . . . 103 Thr H . 16413 1 1132 . 1 1 103 103 THR HA H 1 3.998 0.010 . 1 . . . . 103 Thr HA . 16413 1 1133 . 1 1 103 103 THR HB H 1 3.997 0.001 . 1 . . . . 103 Thr HB . 16413 1 1134 . 1 1 103 103 THR HG21 H 1 1.194 0.005 . 1 . . . . 103 Thr HG21 . 16413 1 1135 . 1 1 103 103 THR HG22 H 1 1.194 0.005 . 1 . . . . 103 Thr HG22 . 16413 1 1136 . 1 1 103 103 THR HG23 H 1 1.194 0.005 . 1 . . . . 103 Thr HG23 . 16413 1 1137 . 1 1 103 103 THR C C 13 174.448 0.002 . 1 . . . . 103 Thr C . 16413 1 1138 . 1 1 103 103 THR CA C 13 63.413 0.057 . 1 . . . . 103 Thr CA . 16413 1 1139 . 1 1 103 103 THR CB C 13 69.605 0.022 . 1 . . . . 103 Thr CB . 16413 1 1140 . 1 1 103 103 THR CG2 C 13 22.158 0.006 . 1 . . . . 103 Thr CG2 . 16413 1 1141 . 1 1 103 103 THR N N 15 115.531 0.009 . 1 . . . . 103 Thr N . 16413 1 1142 . 1 1 104 104 LEU H H 1 8.521 0.003 . 1 . . . . 104 Leu H . 16413 1 1143 . 1 1 104 104 LEU HA H 1 4.377 0.004 . 1 . . . . 104 Leu HA . 16413 1 1144 . 1 1 104 104 LEU HB2 H 1 1.300 0.006 . 2 . . . . 104 Leu HB2 . 16413 1 1145 . 1 1 104 104 LEU HB3 H 1 1.573 0.012 . 2 . . . . 104 Leu HB3 . 16413 1 1146 . 1 1 104 104 LEU HD11 H 1 0.820 0.009 . 1 . . . . 104 Leu HD11 . 16413 1 1147 . 1 1 104 104 LEU HD12 H 1 0.820 0.009 . 1 . . . . 104 Leu HD12 . 16413 1 1148 . 1 1 104 104 LEU HD13 H 1 0.820 0.009 . 1 . . . . 104 Leu HD13 . 16413 1 1149 . 1 1 104 104 LEU HD21 H 1 0.820 0.009 . 1 . . . . 104 Leu HD21 . 16413 1 1150 . 1 1 104 104 LEU HD22 H 1 0.820 0.009 . 1 . . . . 104 Leu HD22 . 16413 1 1151 . 1 1 104 104 LEU HD23 H 1 0.820 0.009 . 1 . . . . 104 Leu HD23 . 16413 1 1152 . 1 1 104 104 LEU HG H 1 1.647 0.002 . 1 . . . . 104 Leu HG . 16413 1 1153 . 1 1 104 104 LEU C C 13 176.367 0.038 . 1 . . . . 104 Leu C . 16413 1 1154 . 1 1 104 104 LEU CA C 13 54.573 0.016 . 1 . . . . 104 Leu CA . 16413 1 1155 . 1 1 104 104 LEU CB C 13 42.778 0.052 . 1 . . . . 104 Leu CB . 16413 1 1156 . 1 1 104 104 LEU CD1 C 13 24.098 0.094 . 1 . . . . 104 Leu CD1 . 16413 1 1157 . 1 1 104 104 LEU CD2 C 13 24.098 0.094 . 1 . . . . 104 Leu CD2 . 16413 1 1158 . 1 1 104 104 LEU CG C 13 26.094 0.089 . 1 . . . . 104 Leu CG . 16413 1 1159 . 1 1 104 104 LEU N N 15 126.184 0.012 . 1 . . . . 104 Leu N . 16413 1 1160 . 1 1 105 105 GLU H H 1 8.085 0.005 . 1 . . . . 105 Glu H . 16413 1 1161 . 1 1 105 105 GLU HA H 1 4.468 0.004 . 1 . . . . 105 Glu HA . 16413 1 1162 . 1 1 105 105 GLU HB2 H 1 1.806 0.009 . 2 . . . . 105 Glu HB2 . 16413 1 1163 . 1 1 105 105 GLU HB3 H 1 1.999 0.006 . 2 . . . . 105 Glu HB3 . 16413 1 1164 . 1 1 105 105 GLU HG2 H 1 2.144 0.004 . 1 . . . . 105 Glu HG2 . 16413 1 1165 . 1 1 105 105 GLU HG3 H 1 2.144 0.004 . 1 . . . . 105 Glu HG3 . 16413 1 1166 . 1 1 105 105 GLU C C 13 175.461 0.017 . 1 . . . . 105 Glu C . 16413 1 1167 . 1 1 105 105 GLU CA C 13 54.500 0.019 . 1 . . . . 105 Glu CA . 16413 1 1168 . 1 1 105 105 GLU CB C 13 32.219 0.040 . 1 . . . . 105 Glu CB . 16413 1 1169 . 1 1 105 105 GLU CG C 13 36.199 0.018 . 1 . . . . 105 Glu CG . 16413 1 1170 . 1 1 105 105 GLU N N 15 121.487 0.043 . 1 . . . . 105 Glu N . 16413 1 1171 . 1 1 106 106 LYS H H 1 8.241 0.003 . 1 . . . . 106 Lys H . 16413 1 1172 . 1 1 106 106 LYS HA H 1 4.136 0.002 . 1 . . . . 106 Lys HA . 16413 1 1173 . 1 1 106 106 LYS HB2 H 1 1.637 0.001 . 1 . . . . 106 Lys HB2 . 16413 1 1174 . 1 1 106 106 LYS HB3 H 1 1.637 0.001 . 1 . . . . 106 Lys HB3 . 16413 1 1175 . 1 1 106 106 LYS HD2 H 1 1.568 0.008 . 1 . . . . 106 Lys HD2 . 16413 1 1176 . 1 1 106 106 LYS HD3 H 1 1.568 0.008 . 1 . . . . 106 Lys HD3 . 16413 1 1177 . 1 1 106 106 LYS HE2 H 1 2.792 0.005 . 1 . . . . 106 Lys HE2 . 16413 1 1178 . 1 1 106 106 LYS HE3 H 1 2.792 0.005 . 1 . . . . 106 Lys HE3 . 16413 1 1179 . 1 1 106 106 LYS HG2 H 1 1.288 0.008 . 1 . . . . 106 Lys HG2 . 16413 1 1180 . 1 1 106 106 LYS HG3 H 1 1.288 0.008 . 1 . . . . 106 Lys HG3 . 16413 1 1181 . 1 1 106 106 LYS C C 13 176.802 0.005 . 1 . . . . 106 Lys C . 16413 1 1182 . 1 1 106 106 LYS CA C 13 57.688 0.005 . 1 . . . . 106 Lys CA . 16413 1 1183 . 1 1 106 106 LYS CB C 13 32.732 0.048 . 1 . . . . 106 Lys CB . 16413 1 1184 . 1 1 106 106 LYS CD C 13 29.509 0.165 . 1 . . . . 106 Lys CD . 16413 1 1185 . 1 1 106 106 LYS CE C 13 41.770 0.051 . 1 . . . . 106 Lys CE . 16413 1 1186 . 1 1 106 106 LYS CG C 13 25.292 0.102 . 1 . . . . 106 Lys CG . 16413 1 1187 . 1 1 106 106 LYS N N 15 120.610 0.030 . 1 . . . . 106 Lys N . 16413 1 1188 . 1 1 107 107 ILE H H 1 9.171 0.003 . 1 . . . . 107 Ile H . 16413 1 1189 . 1 1 107 107 ILE HA H 1 4.110 0.004 . 1 . . . . 107 Ile HA . 16413 1 1190 . 1 1 107 107 ILE HB H 1 2.254 0.004 . 1 . . . . 107 Ile HB . 16413 1 1191 . 1 1 107 107 ILE HD11 H 1 0.838 0.005 . 1 . . . . 107 Ile HD11 . 16413 1 1192 . 1 1 107 107 ILE HD12 H 1 0.838 0.005 . 1 . . . . 107 Ile HD12 . 16413 1 1193 . 1 1 107 107 ILE HD13 H 1 0.838 0.005 . 1 . . . . 107 Ile HD13 . 16413 1 1194 . 1 1 107 107 ILE HG12 H 1 1.191 0.002 . 2 . . . . 107 Ile HG12 . 16413 1 1195 . 1 1 107 107 ILE HG13 H 1 1.950 0.004 . 2 . . . . 107 Ile HG13 . 16413 1 1196 . 1 1 107 107 ILE HG21 H 1 1.352 0.006 . 1 . . . . 107 Ile HG21 . 16413 1 1197 . 1 1 107 107 ILE HG22 H 1 1.352 0.006 . 1 . . . . 107 Ile HG22 . 16413 1 1198 . 1 1 107 107 ILE HG23 H 1 1.352 0.006 . 1 . . . . 107 Ile HG23 . 16413 1 1199 . 1 1 107 107 ILE C C 13 176.439 0.002 . 1 . . . . 107 Ile C . 16413 1 1200 . 1 1 107 107 ILE CA C 13 62.034 0.055 . 1 . . . . 107 Ile CA . 16413 1 1201 . 1 1 107 107 ILE CB C 13 39.862 0.010 . 1 . . . . 107 Ile CB . 16413 1 1202 . 1 1 107 107 ILE CD1 C 13 14.128 0.068 . 1 . . . . 107 Ile CD1 . 16413 1 1203 . 1 1 107 107 ILE CG1 C 13 27.594 0.111 . 1 . . . . 107 Ile CG1 . 16413 1 1204 . 1 1 107 107 ILE CG2 C 13 18.602 0.152 . 1 . . . . 107 Ile CG2 . 16413 1 1205 . 1 1 107 107 ILE N N 15 127.221 0.051 . 1 . . . . 107 Ile N . 16413 1 1206 . 1 1 108 108 THR H H 1 8.490 0.003 . 1 . . . . 108 Thr H . 16413 1 1207 . 1 1 108 108 THR HA H 1 4.422 0.004 . 1 . . . . 108 Thr HA . 16413 1 1208 . 1 1 108 108 THR HB H 1 4.338 0.002 . 1 . . . . 108 Thr HB . 16413 1 1209 . 1 1 108 108 THR HG21 H 1 1.072 0.003 . 1 . . . . 108 Thr HG21 . 16413 1 1210 . 1 1 108 108 THR HG22 H 1 1.072 0.003 . 1 . . . . 108 Thr HG22 . 16413 1 1211 . 1 1 108 108 THR HG23 H 1 1.072 0.003 . 1 . . . . 108 Thr HG23 . 16413 1 1212 . 1 1 108 108 THR C C 13 174.451 0.002 . 1 . . . . 108 Thr C . 16413 1 1213 . 1 1 108 108 THR CA C 13 61.758 0.011 . 1 . . . . 108 Thr CA . 16413 1 1214 . 1 1 108 108 THR CB C 13 69.462 0.087 . 1 . . . . 108 Thr CB . 16413 1 1215 . 1 1 108 108 THR CG2 C 13 21.488 0.057 . 1 . . . . 108 Thr CG2 . 16413 1 1216 . 1 1 108 108 THR N N 15 116.773 0.024 . 1 . . . . 108 Thr N . 16413 1 1217 . 1 1 109 109 ASN H H 1 7.591 0.002 . 1 . . . . 109 Asn H . 16413 1 1218 . 1 1 109 109 ASN HA H 1 4.928 0.001 . 1 . . . . 109 Asn HA . 16413 1 1219 . 1 1 109 109 ASN HB2 H 1 2.836 0.002 . 1 . . . . 109 Asn HB2 . 16413 1 1220 . 1 1 109 109 ASN HB3 H 1 2.836 0.002 . 1 . . . . 109 Asn HB3 . 16413 1 1221 . 1 1 109 109 ASN HD21 H 1 6.745 0.003 . 1 . . . . 109 Asn HD21 . 16413 1 1222 . 1 1 109 109 ASN HD22 H 1 8.200 0.001 . 1 . . . . 109 Asn HD22 . 16413 1 1223 . 1 1 109 109 ASN C C 13 174.627 0.003 . 1 . . . . 109 Asn C . 16413 1 1224 . 1 1 109 109 ASN CA C 13 53.064 0.017 . 1 . . . . 109 Asn CA . 16413 1 1225 . 1 1 109 109 ASN CB C 13 39.790 0.005 . 1 . . . . 109 Asn CB . 16413 1 1226 . 1 1 109 109 ASN CG C 13 176.215 0.039 . 1 . . . . 109 Asn CG . 16413 1 1227 . 1 1 109 109 ASN N N 15 121.749 0.023 . 1 . . . . 109 Asn N . 16413 1 1228 . 1 1 109 109 ASN ND2 N 15 115.349 0.016 . 1 . . . . 109 Asn ND2 . 16413 1 1229 . 1 1 110 110 SER H H 1 8.360 0.005 . 1 . . . . 110 Ser H . 16413 1 1230 . 1 1 110 110 SER HA H 1 4.735 0.006 . 1 . . . . 110 Ser HA . 16413 1 1231 . 1 1 110 110 SER HB2 H 1 3.673 0.002 . 2 . . . . 110 Ser HB2 . 16413 1 1232 . 1 1 110 110 SER HB3 H 1 3.734 0.003 . 2 . . . . 110 Ser HB3 . 16413 1 1233 . 1 1 110 110 SER C C 13 171.970 0.002 . 1 . . . . 110 Ser C . 16413 1 1234 . 1 1 110 110 SER CA C 13 57.939 0.005 . 1 . . . . 110 Ser CA . 16413 1 1235 . 1 1 110 110 SER CB C 13 66.166 0.014 . 1 . . . . 110 Ser CB . 16413 1 1236 . 1 1 110 110 SER N N 15 115.686 0.026 . 1 . . . . 110 Ser N . 16413 1 1237 . 1 1 111 111 ARG H H 1 9.112 0.004 . 1 . . . . 111 Arg H . 16413 1 1238 . 1 1 111 111 ARG HA H 1 4.560 0.007 . 1 . . . . 111 Arg HA . 16413 1 1239 . 1 1 111 111 ARG HB2 H 1 1.177 0.001 . 2 . . . . 111 Arg HB2 . 16413 1 1240 . 1 1 111 111 ARG HB3 H 1 1.291 0.003 . 2 . . . . 111 Arg HB3 . 16413 1 1241 . 1 1 111 111 ARG HD2 H 1 2.608 0.005 . 2 . . . . 111 Arg HD2 . 16413 1 1242 . 1 1 111 111 ARG HD3 H 1 2.801 0.004 . 2 . . . . 111 Arg HD3 . 16413 1 1243 . 1 1 111 111 ARG HG2 H 1 0.930 0.005 . 1 . . . . 111 Arg HG2 . 16413 1 1244 . 1 1 111 111 ARG HG3 H 1 0.930 0.005 . 1 . . . . 111 Arg HG3 . 16413 1 1245 . 1 1 111 111 ARG C C 13 173.976 0.041 . 1 . . . . 111 Arg C . 16413 1 1246 . 1 1 111 111 ARG CA C 13 53.188 0.081 . 1 . . . . 111 Arg CA . 16413 1 1247 . 1 1 111 111 ARG CB C 13 30.433 0.031 . 1 . . . . 111 Arg CB . 16413 1 1248 . 1 1 111 111 ARG CD C 13 43.849 0.145 . 1 . . . . 111 Arg CD . 16413 1 1249 . 1 1 111 111 ARG CG C 13 26.180 0.056 . 1 . . . . 111 Arg CG . 16413 1 1250 . 1 1 111 111 ARG N N 15 121.668 0.034 . 1 . . . . 111 Arg N . 16413 1 1251 . 1 1 113 113 PRO HA H 1 4.256 0.010 . 1 . . . . 113 Pro HA . 16413 1 1252 . 1 1 113 113 PRO HB2 H 1 1.866 0.009 . 2 . . . . 113 Pro HB2 . 16413 1 1253 . 1 1 113 113 PRO HB3 H 1 2.005 0.009 . 2 . . . . 113 Pro HB3 . 16413 1 1254 . 1 1 113 113 PRO C C 13 176.379 0.005 . 1 . . . . 113 Pro C . 16413 1 1255 . 1 1 113 113 PRO CA C 13 63.222 0.039 . 1 . . . . 113 Pro CA . 16413 1 1256 . 1 1 113 113 PRO CB C 13 31.852 0.028 . 1 . . . . 113 Pro CB . 16413 1 1257 . 1 1 114 114 CYS H H 1 8.079 0.001 . 1 . . . . 114 Cys H . 16413 1 1258 . 1 1 114 114 CYS HA H 1 4.454 0.004 . 1 . . . . 114 Cys HA . 16413 1 1259 . 1 1 114 114 CYS HB2 H 1 2.861 0.001 . 1 . . . . 114 Cys HB2 . 16413 1 1260 . 1 1 114 114 CYS HB3 H 1 2.861 0.001 . 1 . . . . 114 Cys HB3 . 16413 1 1261 . 1 1 114 114 CYS C C 13 174.259 0.021 . 1 . . . . 114 Cys C . 16413 1 1262 . 1 1 114 114 CYS CA C 13 58.207 0.026 . 1 . . . . 114 Cys CA . 16413 1 1263 . 1 1 114 114 CYS CB C 13 28.129 0.011 . 1 . . . . 114 Cys CB . 16413 1 1264 . 1 1 114 114 CYS N N 15 118.550 0.034 . 1 . . . . 114 Cys N . 16413 1 1265 . 1 1 115 115 VAL H H 1 8.081 0.003 . 1 . . . . 115 Val H . 16413 1 1266 . 1 1 115 115 VAL HA H 1 4.110 0.001 . 1 . . . . 115 Val HA . 16413 1 1267 . 1 1 115 115 VAL HB H 1 2.009 0.002 . 1 . . . . 115 Val HB . 16413 1 1268 . 1 1 115 115 VAL HG11 H 1 0.886 0.002 . 1 . . . . 115 Val HG11 . 16413 1 1269 . 1 1 115 115 VAL HG12 H 1 0.886 0.002 . 1 . . . . 115 Val HG12 . 16413 1 1270 . 1 1 115 115 VAL HG13 H 1 0.886 0.002 . 1 . . . . 115 Val HG13 . 16413 1 1271 . 1 1 115 115 VAL HG21 H 1 0.886 0.002 . 1 . . . . 115 Val HG21 . 16413 1 1272 . 1 1 115 115 VAL HG22 H 1 0.886 0.002 . 1 . . . . 115 Val HG22 . 16413 1 1273 . 1 1 115 115 VAL HG23 H 1 0.886 0.002 . 1 . . . . 115 Val HG23 . 16413 1 1274 . 1 1 115 115 VAL C C 13 175.375 0.017 . 1 . . . . 115 Val C . 16413 1 1275 . 1 1 115 115 VAL CA C 13 62.413 0.003 . 1 . . . . 115 Val CA . 16413 1 1276 . 1 1 115 115 VAL CB C 13 33.015 0.017 . 1 . . . . 115 Val CB . 16413 1 1277 . 1 1 115 115 VAL CG1 C 13 21.073 0.064 . 1 . . . . 115 Val CG1 . 16413 1 1278 . 1 1 115 115 VAL CG2 C 13 21.073 0.064 . 1 . . . . 115 Val CG2 . 16413 1 1279 . 1 1 115 115 VAL N N 15 122.743 0.036 . 1 . . . . 115 Val N . 16413 1 1280 . 1 1 116 116 ILE H H 1 8.136 0.002 . 1 . . . . 116 Ile H . 16413 1 1281 . 1 1 116 116 ILE HA H 1 4.121 0.003 . 1 . . . . 116 Ile HA . 16413 1 1282 . 1 1 116 116 ILE HB H 1 1.799 0.004 . 1 . . . . 116 Ile HB . 16413 1 1283 . 1 1 116 116 ILE HD11 H 1 0.784 0.003 . 1 . . . . 116 Ile HD11 . 16413 1 1284 . 1 1 116 116 ILE HD12 H 1 0.784 0.003 . 1 . . . . 116 Ile HD12 . 16413 1 1285 . 1 1 116 116 ILE HD13 H 1 0.784 0.003 . 1 . . . . 116 Ile HD13 . 16413 1 1286 . 1 1 116 116 ILE HG12 H 1 1.121 0.004 . 2 . . . . 116 Ile HG12 . 16413 1 1287 . 1 1 116 116 ILE HG13 H 1 1.409 0.008 . 2 . . . . 116 Ile HG13 . 16413 1 1288 . 1 1 116 116 ILE HG21 H 1 0.846 0.004 . 1 . . . . 116 Ile HG21 . 16413 1 1289 . 1 1 116 116 ILE HG22 H 1 0.846 0.004 . 1 . . . . 116 Ile HG22 . 16413 1 1290 . 1 1 116 116 ILE HG23 H 1 0.846 0.004 . 1 . . . . 116 Ile HG23 . 16413 1 1291 . 1 1 116 116 ILE C C 13 175.064 0.045 . 1 . . . . 116 Ile C . 16413 1 1292 . 1 1 116 116 ILE CA C 13 61.003 0.099 . 1 . . . . 116 Ile CA . 16413 1 1293 . 1 1 116 116 ILE CB C 13 38.625 0.036 . 1 . . . . 116 Ile CB . 16413 1 1294 . 1 1 116 116 ILE CD1 C 13 12.720 0.129 . 1 . . . . 116 Ile CD1 . 16413 1 1295 . 1 1 116 116 ILE CG1 C 13 27.417 0.120 . 1 . . . . 116 Ile CG1 . 16413 1 1296 . 1 1 116 116 ILE CG2 C 13 17.619 0.031 . 1 . . . . 116 Ile CG2 . 16413 1 1297 . 1 1 116 116 ILE N N 15 126.142 0.010 . 1 . . . . 116 Ile N . 16413 1 1298 . 1 1 117 117 LEU H H 1 7.776 0.002 . 1 . . . . 117 Leu H . 16413 1 1299 . 1 1 117 117 LEU HA H 1 4.165 0.003 . 1 . . . . 117 Leu HA . 16413 1 1300 . 1 1 117 117 LEU HB2 H 1 1.528 0.003 . 1 . . . . 117 Leu HB2 . 16413 1 1301 . 1 1 117 117 LEU HB3 H 1 1.528 0.003 . 1 . . . . 117 Leu HB3 . 16413 1 1302 . 1 1 117 117 LEU HD11 H 1 0.802 0.007 . 2 . . . . 117 Leu HD11 . 16413 1 1303 . 1 1 117 117 LEU HD12 H 1 0.802 0.007 . 2 . . . . 117 Leu HD12 . 16413 1 1304 . 1 1 117 117 LEU HD13 H 1 0.802 0.007 . 2 . . . . 117 Leu HD13 . 16413 1 1305 . 1 1 117 117 LEU HD21 H 1 0.845 0.004 . 2 . . . . 117 Leu HD21 . 16413 1 1306 . 1 1 117 117 LEU HD22 H 1 0.845 0.004 . 2 . . . . 117 Leu HD22 . 16413 1 1307 . 1 1 117 117 LEU HD23 H 1 0.845 0.004 . 2 . . . . 117 Leu HD23 . 16413 1 1308 . 1 1 117 117 LEU C C 13 182.122 0.100 . 1 . . . . 117 Leu C . 16413 1 1309 . 1 1 117 117 LEU CA C 13 56.711 0.029 . 1 . . . . 117 Leu CA . 16413 1 1310 . 1 1 117 117 LEU CB C 13 43.733 0.016 . 1 . . . . 117 Leu CB . 16413 1 1311 . 1 1 117 117 LEU CD1 C 13 24.803 0.120 . 1 . . . . 117 Leu CD1 . 16413 1 1312 . 1 1 117 117 LEU CD2 C 13 24.803 0.120 . 1 . . . . 117 Leu CD2 . 16413 1 1313 . 1 1 117 117 LEU N N 15 132.801 0.007 . 1 . . . . 117 Leu N . 16413 1 stop_ save_