data_17866 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17866 _Entry.Title ; 1H,15N and 13C backbone and side chain chemical shifts of human halo S100P ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-17 _Entry.Accession_date 2011-08-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'S100P calcium binding protein' _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 Penumutchu Rao . S. . 17866 2 Chin Yu . . . 17866 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17866 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 327 17866 '15N chemical shifts' 85 17866 '1H chemical shifts' 536 17866 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 . . 2013-01-17 2011-08-17 update BMRB 'update entry citation' 17866 1 . . 2012-03-09 2011-08-17 original author 'original release' 17866 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17866 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22311340 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N backbone and side chain resonance assignments of human halo S100A1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _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 213 _Citation.Page_last 215 _Citation.Year 2012 _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 Arun Gupta . A. . 17866 1 2 Sepuru Mohan . K. . 17866 1 3 Yu Chin . . . 17866 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Alpha Helix' 17866 1 'calcium binding protein' 17866 1 'Halo S100P' 17866 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17866 _Assembly.ID 1 _Assembly.Name S100P _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10399.87 _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 S100P 1 $S100P A . yes native no no . . . 17866 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100P _Entity.Sf_category entity _Entity.Sf_framecode S100P _Entity.Entry_ID 17866 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100P _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 ; MTELETAMGMIIDVFSRYSG SEGSTQTLTKGELKVLMEKE LPGFLQSGKDKDAVDKLLKD LDANGDAQVDFSEFIVFVAA ITSACHKYFEKAGLK ; _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 95 _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 10399.873 _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 1J55 . "The Crystal Structure Of Ca+-Bound Human S100p Determined At 2.0a Resolution By X-Ray" . . . . . 100.00 95 100.00 100.00 2.27e-60 . . . . 17866 1 2 no PDB 2MJW . "Structural Insights Into Calcium Bound S100p - V Domain Of The Receptor For Advanced Glycation End Products (rage) Complex" . . . . . 98.95 94 100.00 100.00 1.26e-59 . . . . 17866 1 3 no DBJ BAJ20330 . "S100 calcium binding protein P [synthetic construct]" . . . . . 100.00 95 100.00 100.00 2.27e-60 . . . . 17866 1 4 no EMBL CAA46566 . "S100P calcium-binding protein [Homo sapiens]" . . . . . 100.00 95 100.00 100.00 2.27e-60 . . . . 17866 1 5 no GB AAB21475 . "S-100P=Ca(2+)-binding protein [human, placenta, Peptide, 91 aa]" . . . . . 95.79 91 97.80 97.80 4.26e-55 . . . . 17866 1 6 no GB AAH06819 . "S100 calcium binding protein P [Homo sapiens]" . . . . . 100.00 95 100.00 100.00 2.27e-60 . . . . 17866 1 7 no GB AAO41114 . "calcium-binding S100 protein [Homo sapiens]" . . . . . 100.00 95 100.00 100.00 2.27e-60 . . . . 17866 1 8 no GB AAP35953 . "S100 calcium binding protein P [Homo sapiens]" . . . . . 100.00 95 100.00 100.00 2.27e-60 . . . . 17866 1 9 no GB AAS00487 . "migration-inducing gene 9 protein [Homo sapiens]" . . . . . 92.63 88 98.86 100.00 1.17e-54 . . . . 17866 1 10 no REF NP_005971 . "protein S100-P [Homo sapiens]" . . . . . 100.00 95 100.00 100.00 2.27e-60 . . . . 17866 1 11 no REF XP_001091876 . "PREDICTED: protein S100-P [Macaca mulatta]" . . . . . 100.00 95 100.00 100.00 2.27e-60 . . . . 17866 1 12 no REF XP_002814597 . "PREDICTED: protein S100-P [Pongo abelii]" . . . . . 100.00 95 100.00 100.00 2.27e-60 . . . . 17866 1 13 no REF XP_003310290 . "PREDICTED: protein S100-P [Pan troglodytes]" . . . . . 100.00 95 98.95 100.00 1.23e-59 . . . . 17866 1 14 no REF XP_003816512 . "PREDICTED: protein S100-P [Pan paniscus]" . . . . . 100.00 95 98.95 100.00 1.23e-59 . . . . 17866 1 15 no SP P25815 . "RecName: Full=Protein S100-P; AltName: Full=Migration-inducing gene 9 protein; Short=MIG9; AltName: Full=Protein S100-E; AltNam" . . . . . 100.00 95 100.00 100.00 2.27e-60 . . . . 17866 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17866 1 2 . THR . 17866 1 3 . GLU . 17866 1 4 . LEU . 17866 1 5 . GLU . 17866 1 6 . THR . 17866 1 7 . ALA . 17866 1 8 . MET . 17866 1 9 . GLY . 17866 1 10 . MET . 17866 1 11 . ILE . 17866 1 12 . ILE . 17866 1 13 . ASP . 17866 1 14 . VAL . 17866 1 15 . PHE . 17866 1 16 . SER . 17866 1 17 . ARG . 17866 1 18 . TYR . 17866 1 19 . SER . 17866 1 20 . GLY . 17866 1 21 . SER . 17866 1 22 . GLU . 17866 1 23 . GLY . 17866 1 24 . SER . 17866 1 25 . THR . 17866 1 26 . GLN . 17866 1 27 . THR . 17866 1 28 . LEU . 17866 1 29 . THR . 17866 1 30 . LYS . 17866 1 31 . GLY . 17866 1 32 . GLU . 17866 1 33 . LEU . 17866 1 34 . LYS . 17866 1 35 . VAL . 17866 1 36 . LEU . 17866 1 37 . MET . 17866 1 38 . GLU . 17866 1 39 . LYS . 17866 1 40 . GLU . 17866 1 41 . LEU . 17866 1 42 . PRO . 17866 1 43 . GLY . 17866 1 44 . PHE . 17866 1 45 . LEU . 17866 1 46 . GLN . 17866 1 47 . SER . 17866 1 48 . GLY . 17866 1 49 . LYS . 17866 1 50 . ASP . 17866 1 51 . LYS . 17866 1 52 . ASP . 17866 1 53 . ALA . 17866 1 54 . VAL . 17866 1 55 . ASP . 17866 1 56 . LYS . 17866 1 57 . LEU . 17866 1 58 . LEU . 17866 1 59 . LYS . 17866 1 60 . ASP . 17866 1 61 . LEU . 17866 1 62 . ASP . 17866 1 63 . ALA . 17866 1 64 . ASN . 17866 1 65 . GLY . 17866 1 66 . ASP . 17866 1 67 . ALA . 17866 1 68 . GLN . 17866 1 69 . VAL . 17866 1 70 . ASP . 17866 1 71 . PHE . 17866 1 72 . SER . 17866 1 73 . GLU . 17866 1 74 . PHE . 17866 1 75 . ILE . 17866 1 76 . VAL . 17866 1 77 . PHE . 17866 1 78 . VAL . 17866 1 79 . ALA . 17866 1 80 . ALA . 17866 1 81 . ILE . 17866 1 82 . THR . 17866 1 83 . SER . 17866 1 84 . ALA . 17866 1 85 . CYS . 17866 1 86 . HIS . 17866 1 87 . LYS . 17866 1 88 . TYR . 17866 1 89 . PHE . 17866 1 90 . GLU . 17866 1 91 . LYS . 17866 1 92 . ALA . 17866 1 93 . GLY . 17866 1 94 . LEU . 17866 1 95 . LYS . 17866 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17866 1 . THR 2 2 17866 1 . GLU 3 3 17866 1 . LEU 4 4 17866 1 . GLU 5 5 17866 1 . THR 6 6 17866 1 . ALA 7 7 17866 1 . MET 8 8 17866 1 . GLY 9 9 17866 1 . MET 10 10 17866 1 . ILE 11 11 17866 1 . ILE 12 12 17866 1 . ASP 13 13 17866 1 . VAL 14 14 17866 1 . PHE 15 15 17866 1 . SER 16 16 17866 1 . ARG 17 17 17866 1 . TYR 18 18 17866 1 . SER 19 19 17866 1 . GLY 20 20 17866 1 . SER 21 21 17866 1 . GLU 22 22 17866 1 . GLY 23 23 17866 1 . SER 24 24 17866 1 . THR 25 25 17866 1 . GLN 26 26 17866 1 . THR 27 27 17866 1 . LEU 28 28 17866 1 . THR 29 29 17866 1 . LYS 30 30 17866 1 . GLY 31 31 17866 1 . GLU 32 32 17866 1 . LEU 33 33 17866 1 . LYS 34 34 17866 1 . VAL 35 35 17866 1 . LEU 36 36 17866 1 . MET 37 37 17866 1 . GLU 38 38 17866 1 . LYS 39 39 17866 1 . GLU 40 40 17866 1 . LEU 41 41 17866 1 . PRO 42 42 17866 1 . GLY 43 43 17866 1 . PHE 44 44 17866 1 . LEU 45 45 17866 1 . GLN 46 46 17866 1 . SER 47 47 17866 1 . GLY 48 48 17866 1 . LYS 49 49 17866 1 . ASP 50 50 17866 1 . LYS 51 51 17866 1 . ASP 52 52 17866 1 . ALA 53 53 17866 1 . VAL 54 54 17866 1 . ASP 55 55 17866 1 . LYS 56 56 17866 1 . LEU 57 57 17866 1 . LEU 58 58 17866 1 . LYS 59 59 17866 1 . ASP 60 60 17866 1 . LEU 61 61 17866 1 . ASP 62 62 17866 1 . ALA 63 63 17866 1 . ASN 64 64 17866 1 . GLY 65 65 17866 1 . ASP 66 66 17866 1 . ALA 67 67 17866 1 . GLN 68 68 17866 1 . VAL 69 69 17866 1 . ASP 70 70 17866 1 . PHE 71 71 17866 1 . SER 72 72 17866 1 . GLU 73 73 17866 1 . PHE 74 74 17866 1 . ILE 75 75 17866 1 . VAL 76 76 17866 1 . PHE 77 77 17866 1 . VAL 78 78 17866 1 . ALA 79 79 17866 1 . ALA 80 80 17866 1 . ILE 81 81 17866 1 . THR 82 82 17866 1 . SER 83 83 17866 1 . ALA 84 84 17866 1 . CYS 85 85 17866 1 . HIS 86 86 17866 1 . LYS 87 87 17866 1 . TYR 88 88 17866 1 . PHE 89 89 17866 1 . GLU 90 90 17866 1 . LYS 91 91 17866 1 . ALA 92 92 17866 1 . GLY 93 93 17866 1 . LEU 94 94 17866 1 . LYS 95 95 17866 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 17866 _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 $S100P . 9616 plasmid . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens 'BL21(DE3) pLys' . . . . . . . . . . . . . . . . . . . . 17866 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 17866 _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 $S100P . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) pLys' . . . . . . . . . . . . . . . pET(20b) . . . . . . 17866 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17866 _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 S100P '[U-100% 13C; U-100% 15N]' . . 1 $S100P . . 1.0 . . mM . . . . 17866 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17866 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17866 1 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 17866 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17866 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17866 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 17866 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17866 1 pH 6.8 . pH 17866 1 pressure 1 . atm 17866 1 temperature 298 . K 17866 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17866 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17866 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17866 1 processing 17866 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17866 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17866 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17866 2 'data analysis' 17866 2 'data analysis' 17866 2 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 17866 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMR _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17866 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian VNMR . 700 . . . 17866 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 17866 _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 . . . . . . . . . . . . . . . . 17866 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17866 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17866 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17866 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17866 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17866 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17866 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17866 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17866 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17866 1 11 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17866 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17866 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 17866 _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 . . . . . . . . . 17866 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17866 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17866 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 17866 _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' . . . 17866 1 2 '2D 1H-13C HSQC' . . . 17866 1 3 '3D HNCA' . . . 17866 1 4 '3D HN(CO)CA' . . . 17866 1 5 '3D CBCA(CO)NH' . . . 17866 1 6 '3D HNCACB' . . . 17866 1 7 '3D HNCO' . . . 17866 1 8 '3D HN(CA)CO' . . . 17866 1 9 '3D HBHA(CO)NH' . . . 17866 1 10 '3D H(CCO)NH' . . . 17866 1 11 '3D C(CO)NH' . . . 17866 1 12 '3D HCCH-TOCSY' . . . 17866 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.16 0.020 . 1 . . . . 1 MET HA . 17866 1 2 . 1 1 1 1 MET HB2 H 1 2.04 0.020 . 2 . . . . 1 MET HB2 . 17866 1 3 . 1 1 1 1 MET HB3 H 1 2.01 0.020 . 2 . . . . 1 MET HB3 . 17866 1 4 . 1 1 1 1 MET HG2 H 1 2.47 0.020 . 2 . . . . 1 MET HG2 . 17866 1 5 . 1 1 1 1 MET HG3 H 1 2.47 0.020 . 2 . . . . 1 MET HG3 . 17866 1 6 . 1 1 1 1 MET C C 13 173.54 0.200 . 1 . . . . 1 MET C . 17866 1 7 . 1 1 1 1 MET CA C 13 55.21 0.200 . 1 . . . . 1 MET CA . 17866 1 8 . 1 1 1 1 MET CB C 13 30.94 0.200 . 1 . . . . 1 MET CB . 17866 1 9 . 1 1 2 2 THR H H 1 9.33 0.02 . 1 . . . . 2 THR H . 17866 1 10 . 1 1 2 2 THR HA H 1 4.9 0.020 . 1 . . . . 2 THR HA . 17866 1 11 . 1 1 2 2 THR HB H 1 4.47 0.020 . 1 . . . . 2 THR HB . 17866 1 12 . 1 1 2 2 THR HG21 H 1 1.19 0.020 . 1 . . . . 2 THR HG2 . 17866 1 13 . 1 1 2 2 THR HG22 H 1 1.19 0.020 . 1 . . . . 2 THR HG2 . 17866 1 14 . 1 1 2 2 THR HG23 H 1 1.19 0.020 . 1 . . . . 2 THR HG2 . 17866 1 15 . 1 1 2 2 THR C C 13 175.32 0.20 . 1 . . . . 2 THR C . 17866 1 16 . 1 1 2 2 THR CA C 13 61.14 0.200 . 1 . . . . 2 THR CA . 17866 1 17 . 1 1 2 2 THR CB C 13 70.06 0.200 . 1 . . . . 2 THR CB . 17866 1 18 . 1 1 2 2 THR CG2 C 13 21.38 0.200 . 1 . . . . 2 THR CG2 . 17866 1 19 . 1 1 2 2 THR N N 15 116.09 0.20 . 1 . . . . 2 THR N . 17866 1 20 . 1 1 3 3 GLU H H 1 9.59 0.02 . 1 . . . . 3 GLU H . 17866 1 21 . 1 1 3 3 GLU HA H 1 3.96 0.020 . 1 . . . . 3 GLU HA . 17866 1 22 . 1 1 3 3 GLU HB2 H 1 2.02 0.020 . 2 . . . . 3 GLU HB2 . 17866 1 23 . 1 1 3 3 GLU HB3 H 1 2.1 0.020 . 2 . . . . 3 GLU HB3 . 17866 1 24 . 1 1 3 3 GLU HG2 H 1 2.1 0.020 . 2 . . . . 3 GLU HG2 . 17866 1 25 . 1 1 3 3 GLU HG3 H 1 2.36 0.020 . 2 . . . . 3 GLU HG3 . 17866 1 26 . 1 1 3 3 GLU C C 13 178.21 0.20 . 1 . . . . 3 GLU C . 17866 1 27 . 1 1 3 3 GLU CA C 13 60.64 0.200 . 1 . . . . 3 GLU CA . 17866 1 28 . 1 1 3 3 GLU CB C 13 28.98 0.200 . 1 . . . . 3 GLU CB . 17866 1 29 . 1 1 3 3 GLU CG C 13 36.27 0.200 . 1 . . . . 3 GLU CG . 17866 1 30 . 1 1 3 3 GLU N N 15 125.85 0.20 . 1 . . . . 3 GLU N . 17866 1 31 . 1 1 4 4 LEU H H 1 8.8 0.02 . 1 . . . . 4 LEU H . 17866 1 32 . 1 1 4 4 LEU HA H 1 3.85 0.020 . 1 . . . . 4 LEU HA . 17866 1 33 . 1 1 4 4 LEU HB2 H 1 1.65 0.020 . 2 . . . . 4 LEU HB2 . 17866 1 34 . 1 1 4 4 LEU HB3 H 1 1.66 0.020 . 2 . . . . 4 LEU HB3 . 17866 1 35 . 1 1 4 4 LEU HG H 1 1.5 0.020 . 1 . . . . 4 LEU HG . 17866 1 36 . 1 1 4 4 LEU HD11 H 1 0.88 0.020 . 2 . . . . 4 LEU HD1 . 17866 1 37 . 1 1 4 4 LEU HD12 H 1 0.88 0.020 . 2 . . . . 4 LEU HD1 . 17866 1 38 . 1 1 4 4 LEU HD13 H 1 0.88 0.020 . 2 . . . . 4 LEU HD1 . 17866 1 39 . 1 1 4 4 LEU HD21 H 1 0.88 0.020 . 2 . . . . 4 LEU HD2 . 17866 1 40 . 1 1 4 4 LEU HD22 H 1 0.88 0.020 . 2 . . . . 4 LEU HD2 . 17866 1 41 . 1 1 4 4 LEU HD23 H 1 0.88 0.020 . 2 . . . . 4 LEU HD2 . 17866 1 42 . 1 1 4 4 LEU C C 13 178.26 0.20 . 1 . . . . 4 LEU C . 17866 1 43 . 1 1 4 4 LEU CA C 13 57.72 0.200 . 1 . . . . 4 LEU CA . 17866 1 44 . 1 1 4 4 LEU CB C 13 42.34 0.200 . 1 . . . . 4 LEU CB . 17866 1 45 . 1 1 4 4 LEU N N 15 118.57 0.20 . 1 . . . . 4 LEU N . 17866 1 46 . 1 1 5 5 GLU H H 1 7.87 0.02 . 1 . . . . 5 GLU H . 17866 1 47 . 1 1 5 5 GLU HA H 1 3.83 0.020 . 1 . . . . 5 GLU HA . 17866 1 48 . 1 1 5 5 GLU HB2 H 1 2.05 0.020 . 2 . . . . 5 GLU HB2 . 17866 1 49 . 1 1 5 5 GLU HB3 H 1 2.05 0.020 . 2 . . . . 5 GLU HB3 . 17866 1 50 . 1 1 5 5 GLU C C 13 179.61 0.20 . 1 . . . . 5 GLU C . 17866 1 51 . 1 1 5 5 GLU CA C 13 59.44 0.200 . 1 . . . . 5 GLU CA . 17866 1 52 . 1 1 5 5 GLU CB C 13 30.64 0.200 . 1 . . . . 5 GLU CB . 17866 1 53 . 1 1 5 5 GLU CG C 13 37.06 0.200 . 1 . . . . 5 GLU CG . 17866 1 54 . 1 1 5 5 GLU N N 15 116.93 0.20 . 1 . . . . 5 GLU N . 17866 1 55 . 1 1 6 6 THR H H 1 8.54 0.02 . 1 . . . . 6 THR H . 17866 1 56 . 1 1 6 6 THR HA H 1 4.33 0.020 . 1 . . . . 6 THR HA . 17866 1 57 . 1 1 6 6 THR HB H 1 3.68 0.020 . 1 . . . . 6 THR HB . 17866 1 58 . 1 1 6 6 THR HG21 H 1 1.11 0.020 . 1 . . . . 6 THR HG2 . 17866 1 59 . 1 1 6 6 THR HG22 H 1 1.11 0.020 . 1 . . . . 6 THR HG2 . 17866 1 60 . 1 1 6 6 THR HG23 H 1 1.11 0.020 . 1 . . . . 6 THR HG2 . 17866 1 61 . 1 1 6 6 THR C C 13 176.13 0.20 . 1 . . . . 6 THR C . 17866 1 62 . 1 1 6 6 THR CA C 13 66.6 0.200 . 1 . . . . 6 THR CA . 17866 1 63 . 1 1 6 6 THR CB C 13 67.89 0.200 . 1 . . . . 6 THR CB . 17866 1 64 . 1 1 6 6 THR CG2 C 13 20.73 0.200 . 1 . . . . 6 THR CG . 17866 1 65 . 1 1 6 6 THR N N 15 117.88 0.20 . 1 . . . . 6 THR N . 17866 1 66 . 1 1 7 7 ALA H H 1 8.18 0.02 . 1 . . . . 7 ALA H . 17866 1 67 . 1 1 7 7 ALA HA H 1 4.16 0.020 . 1 . . . . 7 ALA HA . 17866 1 68 . 1 1 7 7 ALA HB1 H 1 1.57 0.020 . 1 . . . . 7 ALA HB . 17866 1 69 . 1 1 7 7 ALA HB2 H 1 1.57 0.020 . 1 . . . . 7 ALA HB . 17866 1 70 . 1 1 7 7 ALA HB3 H 1 1.57 0.020 . 1 . . . . 7 ALA HB . 17866 1 71 . 1 1 7 7 ALA C C 13 178.93 0.20 . 1 . . . . 7 ALA C . 17866 1 72 . 1 1 7 7 ALA CA C 13 55.33 0.200 . 1 . . . . 7 ALA CA . 17866 1 73 . 1 1 7 7 ALA CB C 13 18.82 0.200 . 1 . . . . 7 ALA CB . 17866 1 74 . 1 1 7 7 ALA N N 15 125.45 0.20 . 1 . . . . 7 ALA N . 17866 1 75 . 1 1 8 8 MET H H 1 8.02 0.02 . 1 . . . . 8 MET H . 17866 1 76 . 1 1 8 8 MET HA H 1 4.14 0.020 . 1 . . . . 8 MET HA . 17866 1 77 . 1 1 8 8 MET HB2 H 1 2.1 0.020 . 2 . . . . 8 MET HB2 . 17866 1 78 . 1 1 8 8 MET HB3 H 1 2.12 0.020 . 2 . . . . 8 MET HB3 . 17866 1 79 . 1 1 8 8 MET HG2 H 1 2.79 0.020 . 2 . . . . 8 MET HG2 . 17866 1 80 . 1 1 8 8 MET HG3 H 1 2.83 0.020 . 2 . . . . 8 MET HG3 . 17866 1 81 . 1 1 8 8 MET C C 13 177.82 0.20 . 1 . . . . 8 MET C . 17866 1 82 . 1 1 8 8 MET CA C 13 60.04 0.200 . 1 . . . . 8 MET CA . 17866 1 83 . 1 1 8 8 MET CB C 13 36.04 0.200 . 1 . . . . 8 MET CB . 17866 1 84 . 1 1 8 8 MET N N 15 115.29 0.20 . 1 . . . . 8 MET N . 17866 1 85 . 1 1 9 9 GLY H H 1 8.02 0.02 . 1 . . . . 9 GLY H . 17866 1 86 . 1 1 9 9 GLY HA2 H 1 4.15 0.020 . 2 . . . . 9 GLY HA2 . 17866 1 87 . 1 1 9 9 GLY HA3 H 1 3.76 0.020 . 2 . . . . 9 GLY HA3 . 17866 1 88 . 1 1 9 9 GLY CA C 13 46.91 0.200 . 1 . . . . 9 GLY CA . 17866 1 89 . 1 1 9 9 GLY N N 15 104.38 0.20 . 1 . . . . 9 GLY N . 17866 1 90 . 1 1 10 10 MET H H 1 8.14 0.02 . 1 . . . . 10 MET H . 17866 1 91 . 1 1 10 10 MET HA H 1 4.07 0.020 . 1 . . . . 10 MET HA . 17866 1 92 . 1 1 10 10 MET HB2 H 1 2.33 0.020 . 2 . . . . 10 MET HB2 . 17866 1 93 . 1 1 10 10 MET HB3 H 1 2.04 0.020 . 2 . . . . 10 MET HB3 . 17866 1 94 . 1 1 10 10 MET HG2 H 1 2.39 0.020 . 2 . . . . 10 MET HG2 . 17866 1 95 . 1 1 10 10 MET HG3 H 1 2.39 0.020 . 2 . . . . 10 MET HG3 . 17866 1 96 . 1 1 10 10 MET CA C 13 59.04 0.200 . 1 . . . . 10 MET CA . 17866 1 97 . 1 1 10 10 MET CB C 13 32.04 0.200 . 1 . . . . 10 MET CB . 17866 1 98 . 1 1 10 10 MET CG C 13 34.64 0.200 . 1 . . . . 10 MET CG . 17866 1 99 . 1 1 10 10 MET N N 15 121.29 0.20 . 1 . . . . 10 MET N . 17866 1 100 . 1 1 11 11 ILE H H 1 7.64 0.020 . 1 . . . . 11 ILE H . 17866 1 101 . 1 1 11 11 ILE HA H 1 4.31 0.020 . 1 . . . . 11 ILE HA . 17866 1 102 . 1 1 11 11 ILE HB H 1 1.52 0.020 . 1 . . . . 11 ILE HB . 17866 1 103 . 1 1 11 11 ILE HG12 H 1 0.73 0.020 . 2 . . . . 11 ILE HG12 . 17866 1 104 . 1 1 11 11 ILE CA C 13 66.54 0.200 . 1 . . . . 11 ILE CA . 17866 1 105 . 1 1 11 11 ILE CB C 13 42.04 0.200 . 1 . . . . 11 ILE CB . 17866 1 106 . 1 1 11 11 ILE CG1 C 13 34.74 0.200 . 1 . . . . 11 ILE CG1 . 17866 1 107 . 1 1 11 11 ILE CG2 C 13 23.14 0.200 . 1 . . . . 11 ILE CG2 . 17866 1 108 . 1 1 11 11 ILE N N 15 118.77 0.200 . 1 . . . . 11 ILE N . 17866 1 109 . 1 1 12 12 ILE H H 1 7.56 0.02 . 1 . . . . 12 ILE H . 17866 1 110 . 1 1 12 12 ILE HA H 1 4.48 0.020 . 1 . . . . 12 ILE HA . 17866 1 111 . 1 1 12 12 ILE C C 13 176.8 0.20 . 1 . . . . 12 ILE C . 17866 1 112 . 1 1 12 12 ILE CA C 13 65.89 0.200 . 1 . . . . 12 ILE CA . 17866 1 113 . 1 1 12 12 ILE CB C 13 40.94 0.200 . 1 . . . . 12 ILE CB . 17866 1 114 . 1 1 12 12 ILE N N 15 119.55 0.20 . 1 . . . . 12 ILE N . 17866 1 115 . 1 1 13 13 ASP H H 1 8.35 0.02 . 1 . . . . 13 ASP H . 17866 1 116 . 1 1 13 13 ASP HA H 1 4.24 0.020 . 1 . . . . 13 ASP HA . 17866 1 117 . 1 1 13 13 ASP HB2 H 1 2.74 0.020 . 2 . . . . 13 ASP HB2 . 17866 1 118 . 1 1 13 13 ASP HB3 H 1 2.62 0.020 . 2 . . . . 13 ASP HB3 . 17866 1 119 . 1 1 13 13 ASP C C 13 178.35 0.20 . 1 . . . . 13 ASP C . 17866 1 120 . 1 1 13 13 ASP CA C 13 57.34 0.200 . 1 . . . . 13 ASP CA . 17866 1 121 . 1 1 13 13 ASP CB C 13 40.23 0.200 . 1 . . . . 13 ASP CB . 17866 1 122 . 1 1 13 13 ASP N N 15 121.47 0.20 . 1 . . . . 13 ASP N . 17866 1 123 . 1 1 14 14 VAL H H 1 8.43 0.02 . 1 . . . . 14 VAL H . 17866 1 124 . 1 1 14 14 VAL HA H 1 3.26 0.020 . 1 . . . . 14 VAL HA . 17866 1 125 . 1 1 14 14 VAL HB H 1 2.34 0.020 . 1 . . . . 14 VAL HB . 17866 1 126 . 1 1 14 14 VAL HG11 H 1 1.67 0.020 . 2 . . . . 14 VAL HG11 . 17866 1 127 . 1 1 14 14 VAL HG12 H 1 1.67 0.020 . 2 . . . . 14 VAL HG12 . 17866 1 128 . 1 1 14 14 VAL HG13 H 1 1.67 0.020 . 2 . . . . 14 VAL HG13 . 17866 1 129 . 1 1 14 14 VAL C C 13 176.26 0.20 . 1 . . . . 14 VAL C . 17866 1 130 . 1 1 14 14 VAL CA C 13 66.8 0.200 . 1 . . . . 14 VAL CA . 17866 1 131 . 1 1 14 14 VAL CB C 13 31.78 0.200 . 1 . . . . 14 VAL CB . 17866 1 132 . 1 1 14 14 VAL CG1 C 13 26.04 0.200 . 1 . . . . 14 VAL CG1 . 17866 1 133 . 1 1 14 14 VAL N N 15 119.79 0.20 . 1 . . . . 14 VAL N . 17866 1 134 . 1 1 15 15 PHE H H 1 7.94 0.02 . 1 . . . . 15 PHE H . 17866 1 135 . 1 1 15 15 PHE HA H 1 3.45 0.020 . 1 . . . . 15 PHE HA . 17866 1 136 . 1 1 15 15 PHE HB2 H 1 3.44 0.020 . 2 . . . . 15 PHE HB2 . 17866 1 137 . 1 1 15 15 PHE HB3 H 1 2.78 0.020 . 2 . . . . 15 PHE HB3 . 17866 1 138 . 1 1 15 15 PHE C C 13 177.33 0.20 . 1 . . . . 15 PHE C . 17866 1 139 . 1 1 15 15 PHE CA C 13 62.74 0.200 . 1 . . . . 15 PHE CA . 17866 1 140 . 1 1 15 15 PHE CB C 13 39.49 0.200 . 1 . . . . 15 PHE CB . 17866 1 141 . 1 1 15 15 PHE N N 15 117.8 0.20 . 1 . . . . 15 PHE N . 17866 1 142 . 1 1 16 16 SER H H 1 8.47 0.02 . 1 . . . . 16 SER H . 17866 1 143 . 1 1 16 16 SER HA H 1 4.29 0.020 . 1 . . . . 16 SER HA . 17866 1 144 . 1 1 16 16 SER HB2 H 1 3.86 0.020 . 2 . . . . 16 SER HB2 . 17866 1 145 . 1 1 16 16 SER HB3 H 1 3.79 0.020 . 2 . . . . 16 SER HB3 . 17866 1 146 . 1 1 16 16 SER C C 13 175.55 0.20 . 1 . . . . 16 SER C . 17866 1 147 . 1 1 16 16 SER CA C 13 60.47 0.200 . 1 . . . . 16 SER CA . 17866 1 148 . 1 1 16 16 SER CB C 13 62.98 0.200 . 1 . . . . 16 SER CB . 17866 1 149 . 1 1 16 16 SER N N 15 112.78 0.20 . 1 . . . . 16 SER N . 17866 1 150 . 1 1 17 17 ARG H H 1 7.9 0.02 . 1 . . . . 17 ARG H . 17866 1 151 . 1 1 17 17 ARG HA H 1 3.73 0.020 . 1 . . . . 17 ARG HA . 17866 1 152 . 1 1 17 17 ARG HB2 H 1 1.63 0.020 . 2 . . . . 17 ARG HB2 . 17866 1 153 . 1 1 17 17 ARG HB3 H 1 1.44 0.020 . 2 . . . . 17 ARG HB3 . 17866 1 154 . 1 1 17 17 ARG HG2 H 1 1.76 0.020 . 2 . . . . 17 ARG HG2 . 17866 1 155 . 1 1 17 17 ARG HG3 H 1 1.76 0.020 . 2 . . . . 17 ARG HG3 . 17866 1 156 . 1 1 17 17 ARG C C 13 177.75 0.20 . 1 . . . . 17 ARG C . 17866 1 157 . 1 1 17 17 ARG CA C 13 58.51 0.200 . 1 . . . . 17 ARG CA . 17866 1 158 . 1 1 17 17 ARG CB C 13 29.31 0.200 . 1 . . . . 17 ARG CB . 17866 1 159 . 1 1 17 17 ARG CG C 13 27.09 0.200 . 1 . . . . 17 ARG CG . 17866 1 160 . 1 1 17 17 ARG CD C 13 43.23 0.200 . 1 . . . . 17 ARG CD . 17866 1 161 . 1 1 17 17 ARG N N 15 121.43 0.20 . 1 . . . . 17 ARG N . 17866 1 162 . 1 1 18 18 TYR H H 1 6.97 0.02 . 1 . . . . 18 TYR H . 17866 1 163 . 1 1 18 18 TYR HA H 1 4.34 0.020 . 1 . . . . 18 TYR HA . 17866 1 164 . 1 1 18 18 TYR HB2 H 1 2.97 0.020 . 2 . . . . 18 TYR HB2 . 17866 1 165 . 1 1 18 18 TYR HB3 H 1 2.11 0.020 . 2 . . . . 18 TYR HB3 . 17866 1 166 . 1 1 18 18 TYR C C 13 175.76 0.20 . 1 . . . . 18 TYR C . 17866 1 167 . 1 1 18 18 TYR CA C 13 58.84 0.200 . 1 . . . . 18 TYR CA . 17866 1 168 . 1 1 18 18 TYR CB C 13 39.64 0.200 . 1 . . . . 18 TYR CB . 17866 1 169 . 1 1 18 18 TYR N N 15 113.88 0.20 . 1 . . . . 18 TYR N . 17866 1 170 . 1 1 19 19 SER H H 1 7.48 0.02 . 1 . . . . 19 SER H . 17866 1 171 . 1 1 19 19 SER HA H 1 4.17 0.020 . 1 . . . . 19 SER HA . 17866 1 172 . 1 1 19 19 SER HB2 H 1 3.26 0.020 . 2 . . . . 19 SER HB2 . 17866 1 173 . 1 1 19 19 SER HB3 H 1 3.75 0.020 . 2 . . . . 19 SER HB3 . 17866 1 174 . 1 1 19 19 SER C C 13 176.8 0.20 . 1 . . . . 19 SER C . 17866 1 175 . 1 1 19 19 SER CA C 13 60.29 0.200 . 1 . . . . 19 SER CA . 17866 1 176 . 1 1 19 19 SER CB C 13 62.49 0.200 . 1 . . . . 19 SER CB . 17866 1 177 . 1 1 19 19 SER N N 15 110.97 0.20 . 1 . . . . 19 SER N . 17866 1 178 . 1 1 20 20 GLY H H 1 7.85 0.02 . 1 . . . . 20 GLY H . 17866 1 179 . 1 1 20 20 GLY HA2 H 1 4.08 0.020 . 2 . . . . 20 GLY HA2 . 17866 1 180 . 1 1 20 20 GLY HA3 H 1 3.67 0.020 . 2 . . . . 20 GLY HA3 . 17866 1 181 . 1 1 20 20 GLY C C 13 173.22 0.20 . 1 . . . . 20 GLY C . 17866 1 182 . 1 1 20 20 GLY CA C 13 45.65 0.200 . 1 . . . . 20 GLY CA . 17866 1 183 . 1 1 20 20 GLY N N 15 112.4 0.20 . 1 . . . . 20 GLY N . 17866 1 184 . 1 1 21 21 SER H H 1 7.47 0.02 . 1 . . . . 21 SER H . 17866 1 185 . 1 1 21 21 SER HA H 1 4.22 0.020 . 1 . . . . 21 SER HA . 17866 1 186 . 1 1 21 21 SER HB2 H 1 3.84 0.020 . 2 . . . . 21 SER HB2 . 17866 1 187 . 1 1 21 21 SER HB3 H 1 3.84 0.020 . 2 . . . . 21 SER HB3 . 17866 1 188 . 1 1 21 21 SER C C 13 173.67 0.20 . 1 . . . . 21 SER C . 17866 1 189 . 1 1 21 21 SER CA C 13 60.59 0.200 . 1 . . . . 21 SER CA . 17866 1 190 . 1 1 21 21 SER CB C 13 63.61 0.200 . 1 . . . . 21 SER CB . 17866 1 191 . 1 1 21 21 SER N N 15 117.41 0.20 . 1 . . . . 21 SER N . 17866 1 192 . 1 1 22 22 GLU H H 1 9.17 0.02 . 1 . . . . 22 GLU H . 17866 1 193 . 1 1 22 22 GLU HA H 1 4.17 0.02 . 1 . . . . 22 GLU HA . 17866 1 194 . 1 1 22 22 GLU HB2 H 1 2.07 0.020 . 2 . . . . 22 GLU HB2 . 17866 1 195 . 1 1 22 22 GLU HB3 H 1 2.47 0.020 . 2 . . . . 22 GLU HB3 . 17866 1 196 . 1 1 22 22 GLU C C 13 178.25 0.20 . 1 . . . . 22 GLU C . 17866 1 197 . 1 1 22 22 GLU CA C 13 54.23 0.200 . 1 . . . . 22 GLU CA . 17866 1 198 . 1 1 22 22 GLU CB C 13 32.51 0.200 . 1 . . . . 22 GLU CB . 17866 1 199 . 1 1 22 22 GLU N N 15 119.69 0.20 . 1 . . . . 22 GLU N . 17866 1 200 . 1 1 23 23 GLY H H 1 7.87 0.02 . 1 . . . . 23 GLY H . 17866 1 201 . 1 1 23 23 GLY CA C 13 45.85 0.200 . 1 . . . . 23 GLY CA . 17866 1 202 . 1 1 23 23 GLY N N 15 112.74 0.20 . 1 . . . . 23 GLY N . 17866 1 203 . 1 1 24 24 SER HA H 1 4.23 0.020 . 1 . . . . 24 SER HA . 17866 1 204 . 1 1 24 24 SER HB2 H 1 3.83 0.020 . 2 . . . . 24 SER HB2 . 17866 1 205 . 1 1 24 24 SER HB3 H 1 4.04 0.020 . 2 . . . . 24 SER HB3 . 17866 1 206 . 1 1 24 24 SER CA C 13 60.74 0.200 . 1 . . . . 24 SER CA . 17866 1 207 . 1 1 24 24 SER CB C 13 69.54 0.200 . 1 . . . . 24 SER CB . 17866 1 208 . 1 1 25 25 THR HA H 1 4.42 0.020 . 1 . . . . 25 THR HA . 17866 1 209 . 1 1 25 25 THR HB H 1 3.82 0.020 . 1 . . . . 25 THR HB . 17866 1 210 . 1 1 25 25 THR HG21 H 1 1.23 0.020 . 1 . . . . 25 THR HG2 . 17866 1 211 . 1 1 25 25 THR HG22 H 1 1.23 0.020 . 1 . . . . 25 THR HG2 . 17866 1 212 . 1 1 25 25 THR HG23 H 1 1.23 0.020 . 1 . . . . 25 THR HG2 . 17866 1 213 . 1 1 25 25 THR C C 13 174.54 0.20 . 1 . . . . 25 THR C . 17866 1 214 . 1 1 25 25 THR CA C 13 63.54 0.200 . 1 . . . . 25 THR CA . 17866 1 215 . 1 1 25 25 THR CB C 13 68.04 0.200 . 1 . . . . 25 THR CB . 17866 1 216 . 1 1 25 25 THR CG2 C 13 21.67 0.200 . 1 . . . . 25 THR CG2 . 17866 1 217 . 1 1 26 26 GLN H H 1 8.53 0.02 . 1 . . . . 26 GLN H . 17866 1 218 . 1 1 26 26 GLN HA H 1 4.55 0.020 . 1 . . . . 26 GLN HA . 17866 1 219 . 1 1 26 26 GLN HB2 H 1 1.85 0.020 . 2 . . . . 26 GLN HB2 . 17866 1 220 . 1 1 26 26 GLN HB3 H 1 2.35 0.020 . 2 . . . . 26 GLN HB3 . 17866 1 221 . 1 1 26 26 GLN HG2 H 1 2.22 0.020 . 2 . . . . 26 GLN HG2 . 17866 1 222 . 1 1 26 26 GLN HG3 H 1 2.22 0.020 . 2 . . . . 26 GLN HG3 . 17866 1 223 . 1 1 26 26 GLN C C 13 174.5 0.20 . 1 . . . . 26 GLN C . 17866 1 224 . 1 1 26 26 GLN CA C 13 55.03 0.200 . 1 . . . . 26 GLN CA . 17866 1 225 . 1 1 26 26 GLN CB C 13 30.01 0.200 . 1 . . . . 26 GLN CB . 17866 1 226 . 1 1 26 26 GLN CG C 13 33.73 0.200 . 1 . . . . 26 GLN CG . 17866 1 227 . 1 1 26 26 GLN N N 15 117.04 0.20 . 1 . . . . 26 GLN N . 17866 1 228 . 1 1 27 27 THR H H 1 7.02 0.02 . 1 . . . . 27 THR H . 17866 1 229 . 1 1 27 27 THR HA H 1 5.23 0.020 . 1 . . . . 27 THR HA . 17866 1 230 . 1 1 27 27 THR HB H 1 3.86 0.020 . 1 . . . . 27 THR HB . 17866 1 231 . 1 1 27 27 THR C C 13 172.82 0.20 . 1 . . . . 27 THR C . 17866 1 232 . 1 1 27 27 THR CA C 13 58.29 0.200 . 1 . . . . 27 THR CA . 17866 1 233 . 1 1 27 27 THR CB C 13 73.45 0.200 . 1 . . . . 27 THR CB . 17866 1 234 . 1 1 27 27 THR CG2 C 13 20.91 0.200 . 1 . . . . 27 THR CG . 17866 1 235 . 1 1 27 27 THR N N 15 103.71 0.20 . 1 . . . . 27 THR N . 17866 1 236 . 1 1 28 28 LEU H H 1 9.44 0.02 . 1 . . . . 28 LEU H . 17866 1 237 . 1 1 28 28 LEU HA H 1 5.22 0.020 . 1 . . . . 28 LEU HA . 17866 1 238 . 1 1 28 28 LEU HB2 H 1 1.75 0.020 . 2 . . . . 28 LEU HB2 . 17866 1 239 . 1 1 28 28 LEU HB3 H 1 1.23 0.020 . 2 . . . . 28 LEU HB3 . 17866 1 240 . 1 1 28 28 LEU HG H 1 1.18 0.020 . 1 . . . . 28 LEU HG . 17866 1 241 . 1 1 28 28 LEU HD11 H 1 0.38 0.020 . 2 . . . . 28 LEU HD1 . 17866 1 242 . 1 1 28 28 LEU HD12 H 1 0.38 0.020 . 2 . . . . 28 LEU HD1 . 17866 1 243 . 1 1 28 28 LEU HD13 H 1 0.38 0.020 . 2 . . . . 28 LEU HD1 . 17866 1 244 . 1 1 28 28 LEU HD21 H 1 0.4 0.020 . 2 . . . . 28 LEU HD2 . 17866 1 245 . 1 1 28 28 LEU HD22 H 1 0.4 0.020 . 2 . . . . 28 LEU HD2 . 17866 1 246 . 1 1 28 28 LEU HD23 H 1 0.4 0.020 . 2 . . . . 28 LEU HD2 . 17866 1 247 . 1 1 28 28 LEU C C 13 177.19 0.20 . 1 . . . . 28 LEU C . 17866 1 248 . 1 1 28 28 LEU CA C 13 52.64 0.200 . 1 . . . . 28 LEU CA . 17866 1 249 . 1 1 28 28 LEU CB C 13 43.23 0.200 . 1 . . . . 28 LEU CB . 17866 1 250 . 1 1 28 28 LEU CG C 13 31.64 0.200 . 1 . . . . 28 LEU CG . 17866 1 251 . 1 1 28 28 LEU CD1 C 13 27.14 0.200 . 2 . . . . 28 LEU CD1 . 17866 1 252 . 1 1 28 28 LEU CD2 C 13 27.14 0.200 . 2 . . . . 28 LEU CD2 . 17866 1 253 . 1 1 28 28 LEU N N 15 124.29 0.20 . 1 . . . . 28 LEU N . 17866 1 254 . 1 1 29 29 THR H H 1 9.68 0.02 . 1 . . . . 29 THR H . 17866 1 255 . 1 1 29 29 THR HA H 1 4.31 0.020 . 1 . . . . 29 THR HA . 17866 1 256 . 1 1 29 29 THR HB H 1 4.56 0.020 . 1 . . . . 29 THR HB . 17866 1 257 . 1 1 29 29 THR HG21 H 1 1.11 0.020 . 1 . . . . 29 THR HG2 . 17866 1 258 . 1 1 29 29 THR HG22 H 1 1.11 0.020 . 1 . . . . 29 THR HG2 . 17866 1 259 . 1 1 29 29 THR HG23 H 1 1.11 0.020 . 1 . . . . 29 THR HG2 . 17866 1 260 . 1 1 29 29 THR C C 13 174.47 0.20 . 1 . . . . 29 THR C . 17866 1 261 . 1 1 29 29 THR CA C 13 60.29 0.200 . 1 . . . . 29 THR CA . 17866 1 262 . 1 1 29 29 THR CB C 13 71.65 0.200 . 1 . . . . 29 THR CB . 17866 1 263 . 1 1 29 29 THR CG2 C 13 22.39 0.200 . 1 . . . . 29 THR CG . 17866 1 264 . 1 1 29 29 THR N N 15 114.33 0.20 . 1 . . . . 29 THR N . 17866 1 265 . 1 1 30 30 LYS H H 1 8.95 0.02 . 1 . . . . 30 LYS H . 17866 1 266 . 1 1 30 30 LYS HA H 1 3.56 0.020 . 1 . . . . 30 LYS HA . 17866 1 267 . 1 1 30 30 LYS HB2 H 1 1.65 0.020 . 2 . . . . 30 LYS HB2 . 17866 1 268 . 1 1 30 30 LYS HB3 H 1 1.73 0.020 . 2 . . . . 30 LYS HB3 . 17866 1 269 . 1 1 30 30 LYS HG2 H 1 1.56 0.020 . 2 . . . . 30 LYS HG2 . 17866 1 270 . 1 1 30 30 LYS HG3 H 1 1.18 0.020 . 2 . . . . 30 LYS HG3 . 17866 1 271 . 1 1 30 30 LYS HD2 H 1 1.71 0.020 . 2 . . . . 30 LYS HD2 . 17866 1 272 . 1 1 30 30 LYS HD3 H 1 1.67 0.020 . 2 . . . . 30 LYS HD3 . 17866 1 273 . 1 1 30 30 LYS C C 13 177.07 0.20 . 1 . . . . 30 LYS C . 17866 1 274 . 1 1 30 30 LYS CA C 13 60.64 0.200 . 1 . . . . 30 LYS CA . 17866 1 275 . 1 1 30 30 LYS CB C 13 31.82 0.200 . 1 . . . . 30 LYS CB . 17866 1 276 . 1 1 30 30 LYS CG C 13 24.56 0.200 . 1 . . . . 30 LYS CG . 17866 1 277 . 1 1 30 30 LYS CD C 13 28.91 0.200 . 1 . . . . 30 LYS CD . 17866 1 278 . 1 1 30 30 LYS N N 15 119.19 0.20 . 1 . . . . 30 LYS N . 17866 1 279 . 1 1 31 31 GLY H H 1 8.38 0.02 . 1 . . . . 31 GLY H . 17866 1 280 . 1 1 31 31 GLY HA2 H 1 3.77 0.020 . 2 . . . . 31 GLY HA2 . 17866 1 281 . 1 1 31 31 GLY HA3 H 1 3.62 0.020 . 2 . . . . 31 GLY HA3 . 17866 1 282 . 1 1 31 31 GLY CA C 13 46.54 0.200 . 1 . . . . 31 GLY CA . 17866 1 283 . 1 1 31 31 GLY N N 15 105.13 0.20 . 1 . . . . 31 GLY N . 17866 1 284 . 1 1 32 32 GLU H H 1 7.48 0.02 . 1 . . . . 32 GLU H . 17866 1 285 . 1 1 32 32 GLU HA H 1 4.01 0.020 . 1 . . . . 32 GLU HA . 17866 1 286 . 1 1 32 32 GLU HB2 H 1 1.99 0.020 . 2 . . . . 32 GLU HB2 . 17866 1 287 . 1 1 32 32 GLU HB3 H 1 2.03 0.020 . 2 . . . . 32 GLU HB3 . 17866 1 288 . 1 1 32 32 GLU HG2 H 1 2.05 0.020 . 2 . . . . 32 GLU HG2 . 17866 1 289 . 1 1 32 32 GLU HG3 H 1 2.28 0.020 . 2 . . . . 32 GLU HG3 . 17866 1 290 . 1 1 32 32 GLU C C 13 177.84 0.02 . 1 . . . . 32 GLU C . 17866 1 291 . 1 1 32 32 GLU CA C 13 58.34 0.200 . 1 . . . . 32 GLU CA . 17866 1 292 . 1 1 32 32 GLU CB C 13 30.57 0.200 . 1 . . . . 32 GLU CB . 17866 1 293 . 1 1 32 32 GLU CG C 13 37.15 0.200 . 1 . . . . 32 GLU CG . 17866 1 294 . 1 1 32 32 GLU N N 15 121.96 0.20 . 1 . . . . 32 GLU N . 17866 1 295 . 1 1 33 33 LEU H H 1 8.66 0.02 . 1 . . . . 33 LEU H . 17866 1 296 . 1 1 33 33 LEU HA H 1 4.2 0.020 . 1 . . . . 33 LEU HA . 17866 1 297 . 1 1 33 33 LEU HB2 H 1 1.98 0.020 . 2 . . . . 33 LEU HB2 . 17866 1 298 . 1 1 33 33 LEU HB3 H 1 1.65 0.020 . 2 . . . . 33 LEU HB3 . 17866 1 299 . 1 1 33 33 LEU HD21 H 1 0.88 0.020 . 2 . . . . 33 LEU HD2 . 17866 1 300 . 1 1 33 33 LEU HD22 H 1 0.88 0.020 . 2 . . . . 33 LEU HD2 . 17866 1 301 . 1 1 33 33 LEU HD23 H 1 0.88 0.020 . 2 . . . . 33 LEU HD2 . 17866 1 302 . 1 1 33 33 LEU C C 13 177.15 0.20 . 1 . . . . 33 LEU C . 17866 1 303 . 1 1 33 33 LEU CA C 13 57.13 0.200 . 1 . . . . 33 LEU CA . 17866 1 304 . 1 1 33 33 LEU CB C 13 41.37 0.200 . 1 . . . . 33 LEU CB . 17866 1 305 . 1 1 33 33 LEU CD1 C 13 25.91 0.200 . 2 . . . . 33 LEU CD1 . 17866 1 306 . 1 1 33 33 LEU CD2 C 13 27.14 0.200 . 2 . . . . 33 LEU CD2 . 17866 1 307 . 1 1 33 33 LEU N N 15 119.66 0.20 . 1 . . . . 33 LEU N . 17866 1 308 . 1 1 34 34 LYS H H 1 8.01 0.02 . 1 . . . . 34 LYS H . 17866 1 309 . 1 1 34 34 LYS HA H 1 3.52 0.020 . 1 . . . . 34 LYS HA . 17866 1 310 . 1 1 34 34 LYS HB2 H 1 1.92 0.020 . 2 . . . . 34 LYS HB2 . 17866 1 311 . 1 1 34 34 LYS HB3 H 1 1.92 0.020 . 2 . . . . 34 LYS HB3 . 17866 1 312 . 1 1 34 34 LYS HG2 H 1 1.51 0.020 . 2 . . . . 34 LYS HG2 . 17866 1 313 . 1 1 34 34 LYS HG3 H 1 1.75 0.020 . 2 . . . . 34 LYS HG3 . 17866 1 314 . 1 1 34 34 LYS HD2 H 1 1.73 0.020 . 2 . . . . 34 LYS HD2 . 17866 1 315 . 1 1 34 34 LYS HD3 H 1 1.75 0.020 . 2 . . . . 34 LYS HD3 . 17866 1 316 . 1 1 34 34 LYS C C 13 177.06 0.20 . 1 . . . . 34 LYS C . 17866 1 317 . 1 1 34 34 LYS CA C 13 60.25 0.200 . 1 . . . . 34 LYS CA . 17866 1 318 . 1 1 34 34 LYS CB C 13 32.61 0.200 . 1 . . . . 34 LYS CB . 17866 1 319 . 1 1 34 34 LYS CG C 13 29.55 0.200 . 1 . . . . 34 LYS CG . 17866 1 320 . 1 1 34 34 LYS N N 15 118.08 0.20 . 1 . . . . 34 LYS N . 17866 1 321 . 1 1 35 35 VAL H H 1 6.95 0.200 . 1 . . . . 35 VAL H . 17866 1 322 . 1 1 35 35 VAL HA H 1 3.59 0.020 . 1 . . . . 35 VAL HA . 17866 1 323 . 1 1 35 35 VAL HB H 1 2.02 0.020 . 1 . . . . 35 VAL HB . 17866 1 324 . 1 1 35 35 VAL HG11 H 1 1.01 0.020 . 2 . . . . 35 VAL HG1 . 17866 1 325 . 1 1 35 35 VAL HG12 H 1 1.01 0.020 . 2 . . . . 35 VAL HG1 . 17866 1 326 . 1 1 35 35 VAL HG13 H 1 1.01 0.020 . 2 . . . . 35 VAL HG1 . 17866 1 327 . 1 1 35 35 VAL HG21 H 1 0.98 0.020 . 2 . . . . 35 VAL HG2 . 17866 1 328 . 1 1 35 35 VAL HG22 H 1 0.98 0.020 . 2 . . . . 35 VAL HG2 . 17866 1 329 . 1 1 35 35 VAL HG23 H 1 0.98 0.020 . 2 . . . . 35 VAL HG2 . 17866 1 330 . 1 1 35 35 VAL C C 13 177.04 0.20 . 1 . . . . 35 VAL C . 17866 1 331 . 1 1 35 35 VAL CA C 13 65.97 0.200 . 1 . . . . 35 VAL CA . 17866 1 332 . 1 1 35 35 VAL CB C 13 31.41 0.200 . 1 . . . . 35 VAL CB . 17866 1 333 . 1 1 35 35 VAL CG1 C 13 25.64 0.200 . 2 . . . . 35 VAL CG1 . 17866 1 334 . 1 1 35 35 VAL CG2 C 13 21.63 0.200 . 2 . . . . 35 VAL CG2 . 17866 1 335 . 1 1 35 35 VAL N N 15 117.19 0.200 . 1 . . . . 35 VAL N . 17866 1 336 . 1 1 36 36 LEU H H 1 7.65 0.02 . 1 . . . . 36 LEU H . 17866 1 337 . 1 1 36 36 LEU HA H 1 3.89 0.020 . 1 . . . . 36 LEU HA . 17866 1 338 . 1 1 36 36 LEU HB2 H 1 2.26 0.020 . 2 . . . . 36 LEU HB2 . 17866 1 339 . 1 1 36 36 LEU HB3 H 1 2.26 0.020 . 2 . . . . 36 LEU HB3 . 17866 1 340 . 1 1 36 36 LEU HG H 1 1.35 0.020 . 1 . . . . 36 LEU HG . 17866 1 341 . 1 1 36 36 LEU HD11 H 1 0.99 0.020 . 2 . . . . 36 LEU HD1 . 17866 1 342 . 1 1 36 36 LEU HD12 H 1 0.99 0.020 . 2 . . . . 36 LEU HD1 . 17866 1 343 . 1 1 36 36 LEU HD13 H 1 0.99 0.020 . 2 . . . . 36 LEU HD1 . 17866 1 344 . 1 1 36 36 LEU HD21 H 1 0.99 0.020 . 2 . . . . 36 LEU HD2 . 17866 1 345 . 1 1 36 36 LEU HD22 H 1 0.99 0.020 . 2 . . . . 36 LEU HD2 . 17866 1 346 . 1 1 36 36 LEU HD23 H 1 0.99 0.020 . 2 . . . . 36 LEU HD2 . 17866 1 347 . 1 1 36 36 LEU C C 13 178.68 0.20 . 1 . . . . 36 LEU C . 17866 1 348 . 1 1 36 36 LEU CA C 13 59.29 0.200 . 1 . . . . 36 LEU CA . 17866 1 349 . 1 1 36 36 LEU CB C 13 41.54 0.200 . 1 . . . . 36 LEU CB . 17866 1 350 . 1 1 36 36 LEU CD1 C 13 23.92 0.200 . 2 . . . . 36 LEU CD1 . 17866 1 351 . 1 1 36 36 LEU CD2 C 13 28.14 0.200 . 2 . . . . 36 LEU CD2 . 17866 1 352 . 1 1 36 36 LEU N N 15 120.47 0.20 . 1 . . . . 36 LEU N . 17866 1 353 . 1 1 37 37 MET H H 1 8.33 0.02 . 1 . . . . 37 MET H . 17866 1 354 . 1 1 37 37 MET HA H 1 3.97 0.020 . 1 . . . . 37 MET HA . 17866 1 355 . 1 1 37 37 MET HB2 H 1 1.99 0.020 . 2 . . . . 37 MET HB2 . 17866 1 356 . 1 1 37 37 MET HB3 H 1 1.98 0.020 . 2 . . . . 37 MET HB3 . 17866 1 357 . 1 1 37 37 MET HG3 H 1 2.56 0.020 . 2 . . . . 37 MET HG3 . 17866 1 358 . 1 1 37 37 MET C C 13 177.61 0.20 . 1 . . . . 37 MET C . 17866 1 359 . 1 1 37 37 MET CA C 13 56.74 0.200 . 1 . . . . 37 MET CA . 17866 1 360 . 1 1 37 37 MET CB C 13 31.83 0.200 . 1 . . . . 37 MET CB . 17866 1 361 . 1 1 37 37 MET N N 15 116.62 0.20 . 1 . . . . 37 MET N . 17866 1 362 . 1 1 38 38 GLU H H 1 7.92 0.02 . 1 . . . . 38 GLU H . 17866 1 363 . 1 1 38 38 GLU HA H 1 3.82 0.020 . 1 . . . . 38 GLU HA . 17866 1 364 . 1 1 38 38 GLU HB2 H 1 2.05 0.020 . 2 . . . . 38 GLU HB2 . 17866 1 365 . 1 1 38 38 GLU HB3 H 1 1.83 0.020 . 2 . . . . 38 GLU HB3 . 17866 1 366 . 1 1 38 38 GLU HG2 H 1 2.4 0.020 . 2 . . . . 38 GLU HG2 . 17866 1 367 . 1 1 38 38 GLU HG3 H 1 2.38 0.020 . 2 . . . . 38 GLU HG3 . 17866 1 368 . 1 1 38 38 GLU C C 13 178.39 0.20 . 1 . . . . 38 GLU C . 17866 1 369 . 1 1 38 38 GLU CA C 13 58.74 0.200 . 1 . . . . 38 GLU CA . 17866 1 370 . 1 1 38 38 GLU CB C 13 29.54 0.200 . 1 . . . . 38 GLU CB . 17866 1 371 . 1 1 38 38 GLU CG C 13 36.46 0.200 . 1 . . . . 38 GLU CG . 17866 1 372 . 1 1 38 38 GLU N N 15 116.59 0.20 . 1 . . . . 38 GLU N . 17866 1 373 . 1 1 39 39 LYS H H 1 8.04 0.02 . 1 . . . . 39 LYS H . 17866 1 374 . 1 1 39 39 LYS HA H 1 4.18 0.020 . 1 . . . . 39 LYS HA . 17866 1 375 . 1 1 39 39 LYS HB2 H 1 1.97 0.020 . 2 . . . . 39 LYS HB2 . 17866 1 376 . 1 1 39 39 LYS HB3 H 1 1.82 0.020 . 2 . . . . 39 LYS HB3 . 17866 1 377 . 1 1 39 39 LYS HG2 H 1 1.62 0.020 . 2 . . . . 39 LYS HG2 . 17866 1 378 . 1 1 39 39 LYS HG3 H 1 1.5 0.020 . 2 . . . . 39 LYS HG3 . 17866 1 379 . 1 1 39 39 LYS HD2 H 1 1.62 0.020 . 2 . . . . 39 LYS HD2 . 17866 1 380 . 1 1 39 39 LYS HD3 H 1 1.62 0.020 . 2 . . . . 39 LYS HD3 . 17866 1 381 . 1 1 39 39 LYS HE2 H 1 2.94 0.020 . 2 . . . . 39 LYS HE2 . 17866 1 382 . 1 1 39 39 LYS C C 13 178.36 0.20 . 1 . . . . 39 LYS C . 17866 1 383 . 1 1 39 39 LYS CA C 13 56.84 0.200 . 1 . . . . 39 LYS CA . 17866 1 384 . 1 1 39 39 LYS CB C 13 33.14 0.200 . 1 . . . . 39 LYS CB . 17866 1 385 . 1 1 39 39 LYS CG C 13 28.24 0.200 . 1 . . . . 39 LYS CG . 17866 1 386 . 1 1 39 39 LYS CD C 13 33.34 0.200 . 1 . . . . 39 LYS CD . 17866 1 387 . 1 1 39 39 LYS N N 15 114.34 0.20 . 1 . . . . 39 LYS N . 17866 1 388 . 1 1 40 40 GLU H H 1 8.75 0.02 . 1 . . . . 40 GLU H . 17866 1 389 . 1 1 40 40 GLU HA H 1 4.53 0.020 . 1 . . . . 40 GLU HA . 17866 1 390 . 1 1 40 40 GLU HB2 H 1 2.32 0.020 . 2 . . . . 40 GLU HB2 . 17866 1 391 . 1 1 40 40 GLU HB3 H 1 1.74 0.020 . 2 . . . . 40 GLU HB3 . 17866 1 392 . 1 1 40 40 GLU HG2 H 1 2.27 0.020 . 2 . . . . 40 GLU HG2 . 17866 1 393 . 1 1 40 40 GLU HG3 H 1 2.07 0.020 . 2 . . . . 40 GLU HG3 . 17866 1 394 . 1 1 40 40 GLU C C 13 176.88 0.20 . 1 . . . . 40 GLU C . 17866 1 395 . 1 1 40 40 GLU CA C 13 56.44 0.200 . 1 . . . . 40 GLU CA . 17866 1 396 . 1 1 40 40 GLU CB C 13 30.64 0.200 . 1 . . . . 40 GLU CB . 17866 1 397 . 1 1 40 40 GLU CG C 13 35.67 0.200 . 1 . . . . 40 GLU CG . 17866 1 398 . 1 1 40 40 GLU N N 15 114.43 0.20 . 1 . . . . 40 GLU N . 17866 1 399 . 1 1 41 41 LEU H H 1 7.72 0.02 . 1 . . . . 41 LEU H . 17866 1 400 . 1 1 41 41 LEU HB2 H 1 1.52 0.020 . 2 . . . . 41 LEU HB2 . 17866 1 401 . 1 1 41 41 LEU HB3 H 1 1.52 0.020 . 2 . . . . 41 LEU HB3 . 17866 1 402 . 1 1 41 41 LEU HG H 1 1.5 0.020 . 1 . . . . 41 LEU HG . 17866 1 403 . 1 1 41 41 LEU HD21 H 1 0.78 0.020 . 2 . . . . 41 LEU HD2 . 17866 1 404 . 1 1 41 41 LEU HD22 H 1 0.78 0.020 . 2 . . . . 41 LEU HD2 . 17866 1 405 . 1 1 41 41 LEU HD23 H 1 0.78 0.020 . 2 . . . . 41 LEU HD2 . 17866 1 406 . 1 1 41 41 LEU C C 13 173.72 0.02 . 1 . . . . 41 LEU C . 17866 1 407 . 1 1 41 41 LEU CA C 13 52.08 0.02 . 1 . . . . 41 LEU CA . 17866 1 408 . 1 1 41 41 LEU CB C 13 45.21 0.02 . 1 . . . . 41 LEU CB . 17866 1 409 . 1 1 41 41 LEU N N 15 119.73 0.20 . 1 . . . . 41 LEU N . 17866 1 410 . 1 1 42 42 PRO HA H 1 4.16 0.020 . 1 . . . . 42 PRO HA . 17866 1 411 . 1 1 42 42 PRO HB2 H 1 1.86 0.020 . 2 . . . . 42 PRO HB2 . 17866 1 412 . 1 1 42 42 PRO HB3 H 1 1.88 0.020 . 2 . . . . 42 PRO HB3 . 17866 1 413 . 1 1 42 42 PRO HG2 H 1 1.79 0.020 . 2 . . . . 42 PRO HG2 . 17866 1 414 . 1 1 42 42 PRO HG3 H 1 1.74 0.020 . 2 . . . . 42 PRO HG3 . 17866 1 415 . 1 1 42 42 PRO HD2 H 1 3.59 0.020 . 2 . . . . 42 PRO HD2 . 17866 1 416 . 1 1 42 42 PRO HD3 H 1 3.62 0.020 . 2 . . . . 42 PRO HD3 . 17866 1 417 . 1 1 42 42 PRO C C 13 178.36 0.20 . 1 . . . . 42 PRO C . 17866 1 418 . 1 1 42 42 PRO CA C 13 64.14 0.200 . 1 . . . . 42 PRO CA . 17866 1 419 . 1 1 42 42 PRO CB C 13 31.08 0.200 . 1 . . . . 42 PRO CB . 17866 1 420 . 1 1 42 42 PRO CG C 13 27.35 0.200 . 1 . . . . 42 PRO CG . 17866 1 421 . 1 1 42 42 PRO CD C 13 55.14 0.200 . 1 . . . . 42 PRO CD . 17866 1 422 . 1 1 43 43 GLY H H 1 8.66 0.02 . 1 . . . . 43 GLY H . 17866 1 423 . 1 1 43 43 GLY HA2 H 1 3.89 0.02 . 2 . . . . 43 GLY HA2 . 17866 1 424 . 1 1 43 43 GLY HA3 H 1 3.71 0.02 . 2 . . . . 43 GLY HA3 . 17866 1 425 . 1 1 43 43 GLY CA C 13 45.21 0.200 . 1 . . . . 43 GLY CA . 17866 1 426 . 1 1 43 43 GLY N N 15 109.73 0.20 . 1 . . . . 43 GLY N . 17866 1 427 . 1 1 44 44 PHE H H 1 8.03 0.02 . 1 . . . . 44 PHE H . 17866 1 428 . 1 1 44 44 PHE HA H 1 4.46 0.020 . 1 . . . . 44 PHE HA . 17866 1 429 . 1 1 44 44 PHE HB2 H 1 3.12 0.020 . 2 . . . . 44 PHE HB2 . 17866 1 430 . 1 1 44 44 PHE HB3 H 1 2.94 0.020 . 2 . . . . 44 PHE HB3 . 17866 1 431 . 1 1 44 44 PHE C C 13 176.85 0.20 . 1 . . . . 44 PHE C . 17866 1 432 . 1 1 44 44 PHE CA C 13 60.84 0.200 . 1 . . . . 44 PHE CA . 17866 1 433 . 1 1 44 44 PHE CB C 13 43.84 0.200 . 1 . . . . 44 PHE CB . 17866 1 434 . 1 1 44 44 PHE N N 15 122.12 0.20 . 1 . . . . 44 PHE N . 17866 1 435 . 1 1 45 45 LEU H H 1 7.83 0.02 . 1 . . . . 45 LEU H . 17866 1 436 . 1 1 45 45 LEU HA H 1 4.15 0.020 . 1 . . . . 45 LEU HA . 17866 1 437 . 1 1 45 45 LEU HB2 H 1 1.58 0.020 . 2 . . . . 45 LEU HB2 . 17866 1 438 . 1 1 45 45 LEU HB3 H 1 1.35 0.020 . 2 . . . . 45 LEU HB3 . 17866 1 439 . 1 1 45 45 LEU HG H 1 0.81 0.020 . 1 . . . . 45 LEU HG . 17866 1 440 . 1 1 45 45 LEU HD11 H 1 0.79 0.020 . 2 . . . . 45 LEU HD1 . 17866 1 441 . 1 1 45 45 LEU HD12 H 1 0.79 0.020 . 2 . . . . 45 LEU HD1 . 17866 1 442 . 1 1 45 45 LEU HD13 H 1 0.79 0.020 . 2 . . . . 45 LEU HD1 . 17866 1 443 . 1 1 45 45 LEU HD21 H 1 0.79 0.020 . 2 . . . . 45 LEU HD2 . 17866 1 444 . 1 1 45 45 LEU HD22 H 1 0.79 0.020 . 2 . . . . 45 LEU HD2 . 17866 1 445 . 1 1 45 45 LEU HD23 H 1 0.79 0.020 . 2 . . . . 45 LEU HD2 . 17866 1 446 . 1 1 45 45 LEU C C 13 176.76 0.20 . 1 . . . . 45 LEU C . 17866 1 447 . 1 1 45 45 LEU CA C 13 54.34 0.200 . 1 . . . . 45 LEU CA . 17866 1 448 . 1 1 45 45 LEU CB C 13 41.74 0.200 . 1 . . . . 45 LEU CB . 17866 1 449 . 1 1 45 45 LEU CD1 C 13 26.74 0.200 . 2 . . . . 45 LEU CD1 . 17866 1 450 . 1 1 45 45 LEU CD2 C 13 25.54 0.200 . 2 . . . . 45 LEU CD2 . 17866 1 451 . 1 1 45 45 LEU N N 15 115.55 0.20 . 1 . . . . 45 LEU N . 17866 1 452 . 1 1 46 46 GLN H H 1 8.15 0.02 . 1 . . . . 46 GLN H . 17866 1 453 . 1 1 46 46 GLN HA H 1 4.19 0.020 . 1 . . . . 46 GLN HA . 17866 1 454 . 1 1 46 46 GLN HB2 H 1 1.83 0.020 . 2 . . . . 46 GLN HB2 . 17866 1 455 . 1 1 46 46 GLN HB3 H 1 1.98 0.020 . 2 . . . . 46 GLN HB3 . 17866 1 456 . 1 1 46 46 GLN HG2 H 1 2.18 0.020 . 2 . . . . 46 GLN HG2 . 17866 1 457 . 1 1 46 46 GLN HG3 H 1 2.24 0.020 . 2 . . . . 46 GLN HG3 . 17866 1 458 . 1 1 46 46 GLN C C 13 175.77 0.20 . 1 . . . . 46 GLN C . 17866 1 459 . 1 1 46 46 GLN CA C 13 55.34 0.200 . 1 . . . . 46 GLN CA . 17866 1 460 . 1 1 46 46 GLN CB C 13 27.99 0.200 . 1 . . . . 46 GLN CB . 17866 1 461 . 1 1 46 46 GLN CG C 13 33.33 0.200 . 1 . . . . 46 GLN CG . 17866 1 462 . 1 1 46 46 GLN N N 15 121.11 0.20 . 1 . . . . 46 GLN N . 17866 1 463 . 1 1 47 47 SER H H 1 7.99 0.02 . 1 . . . . 47 SER H . 17866 1 464 . 1 1 47 47 SER HA H 1 4.25 0.02 . 1 . . . . 47 SER HA . 17866 1 465 . 1 1 47 47 SER HB2 H 1 3.73 0.02 . 2 . . . . 47 SER HB2 . 17866 1 466 . 1 1 47 47 SER HB3 H 1 3.73 0.020 . 2 . . . . 47 SER HB3 . 17866 1 467 . 1 1 47 47 SER C C 13 174.55 0.20 . 1 . . . . 47 SER C . 17866 1 468 . 1 1 47 47 SER CA C 13 58.84 0.200 . 1 . . . . 47 SER CA . 17866 1 469 . 1 1 47 47 SER CB C 13 63.24 0.200 . 1 . . . . 47 SER CB . 17866 1 470 . 1 1 47 47 SER N N 15 116.06 0.20 . 1 . . . . 47 SER N . 17866 1 471 . 1 1 48 48 GLY H H 1 8.3 0.02 . 1 . . . . 48 GLY H . 17866 1 472 . 1 1 48 48 GLY HA2 H 1 3.8 0.02 . 2 . . . . 48 GLY HA2 . 17866 1 473 . 1 1 48 48 GLY HA3 H 1 3.8 0.02 . 2 . . . . 48 GLY HA3 . 17866 1 474 . 1 1 48 48 GLY C C 13 173.83 0.20 . 1 . . . . 48 GLY C . 17866 1 475 . 1 1 48 48 GLY CA C 13 45.54 0.200 . 1 . . . . 48 GLY CA . 17866 1 476 . 1 1 48 48 GLY N N 15 110.23 0.20 . 1 . . . . 48 GLY N . 17866 1 477 . 1 1 49 49 LYS H H 1 7.87 0.02 . 1 . . . . 49 LYS H . 17866 1 478 . 1 1 49 49 LYS HA H 1 4.15 0.02 . 1 . . . . 49 LYS HA . 17866 1 479 . 1 1 49 49 LYS HB2 H 1 1.67 0.02 . 2 . . . . 49 LYS HB2 . 17866 1 480 . 1 1 49 49 LYS HB3 H 1 1.67 0.02 . 2 . . . . 49 LYS HB3 . 17866 1 481 . 1 1 49 49 LYS HG2 H 1 1.25 0.02 . 2 . . . . 49 LYS HG2 . 17866 1 482 . 1 1 49 49 LYS HG3 H 1 1.5 0.02 . 2 . . . . 49 LYS HG3 . 17866 1 483 . 1 1 49 49 LYS HD2 H 1 1.69 0.02 . 2 . . . . 49 LYS HD2 . 17866 1 484 . 1 1 49 49 LYS HD3 H 1 1.59 0.02 . 2 . . . . 49 LYS HD3 . 17866 1 485 . 1 1 49 49 LYS HE2 H 1 2.82 0.02 . 2 . . . . 49 LYS HE2 . 17866 1 486 . 1 1 49 49 LYS HE3 H 1 2.82 0.02 . 2 . . . . 49 LYS HE3 . 17866 1 487 . 1 1 49 49 LYS C C 13 176.73 0.20 . 1 . . . . 49 LYS C . 17866 1 488 . 1 1 49 49 LYS CA C 13 56.56 0.200 . 1 . . . . 49 LYS CA . 17866 1 489 . 1 1 49 49 LYS CB C 13 32.48 0.200 . 1 . . . . 49 LYS CB . 17866 1 490 . 1 1 49 49 LYS CG C 13 28.74 0.200 . 1 . . . . 49 LYS CG . 17866 1 491 . 1 1 49 49 LYS CD C 13 33.84 0.200 . 1 . . . . 49 LYS CD . 17866 1 492 . 1 1 49 49 LYS CE C 13 46.94 0.200 . 1 . . . . 49 LYS CE . 17866 1 493 . 1 1 49 49 LYS N N 15 119.54 0.20 . 1 . . . . 49 LYS N . 17866 1 494 . 1 1 50 50 ASP H H 1 7.98 0.02 . 1 . . . . 50 ASP H . 17866 1 495 . 1 1 50 50 ASP HA H 1 4.51 0.02 . 1 . . . . 50 ASP HA . 17866 1 496 . 1 1 50 50 ASP HB2 H 1 2.44 0.02 . 2 . . . . 50 ASP HB2 . 17866 1 497 . 1 1 50 50 ASP HB3 H 1 2.61 0.02 . 2 . . . . 50 ASP HB3 . 17866 1 498 . 1 1 50 50 ASP C C 13 175.59 0.20 . 1 . . . . 50 ASP C . 17866 1 499 . 1 1 50 50 ASP CA C 13 53.64 0.200 . 1 . . . . 50 ASP CA . 17866 1 500 . 1 1 50 50 ASP CB C 13 41.24 0.200 . 1 . . . . 50 ASP CB . 17866 1 501 . 1 1 50 50 ASP N N 15 118.81 0.20 . 1 . . . . 50 ASP N . 17866 1 502 . 1 1 51 51 LYS H H 1 8.28 0.02 . 1 . . . . 51 LYS H . 17866 1 503 . 1 1 51 51 LYS HA H 1 4.07 0.020 . 1 . . . . 51 LYS HA . 17866 1 504 . 1 1 51 51 LYS HB2 H 1 1.69 0.020 . 2 . . . . 51 LYS HB2 . 17866 1 505 . 1 1 51 51 LYS HB3 H 1 1.69 0.020 . 2 . . . . 51 LYS HB3 . 17866 1 506 . 1 1 51 51 LYS HG2 H 1 1.3 0.020 . 2 . . . . 51 LYS HG2 . 17866 1 507 . 1 1 51 51 LYS HG3 H 1 1.3 0.020 . 2 . . . . 51 LYS HG3 . 17866 1 508 . 1 1 51 51 LYS HD2 H 1 1.67 0.020 . 2 . . . . 51 LYS HD2 . 17866 1 509 . 1 1 51 51 LYS HD3 H 1 1.71 0.020 . 2 . . . . 51 LYS HD3 . 17866 1 510 . 1 1 51 51 LYS HE2 H 1 2.59 0.020 . 2 . . . . 51 LYS HE2 . 17866 1 511 . 1 1 51 51 LYS HE3 H 1 2.85 0.020 . 2 . . . . 51 LYS HE3 . 17866 1 512 . 1 1 51 51 LYS C C 13 176.32 0.20 . 1 . . . . 51 LYS C . 17866 1 513 . 1 1 51 51 LYS CA C 13 56.56 0.200 . 1 . . . . 51 LYS CA . 17866 1 514 . 1 1 51 51 LYS CB C 13 41.54 0.200 . 1 . . . . 51 LYS CB . 17866 1 515 . 1 1 51 51 LYS CG C 13 28.84 0.200 . 1 . . . . 51 LYS CG . 17866 1 516 . 1 1 51 51 LYS CD C 13 32.04 0.200 . 1 . . . . 51 LYS CD . 17866 1 517 . 1 1 51 51 LYS N N 15 122.32 0.20 . 1 . . . . 51 LYS N . 17866 1 518 . 1 1 52 52 ASP H H 1 8.25 0.02 . 1 . . . . 52 ASP H . 17866 1 519 . 1 1 52 52 ASP HA H 1 4.66 0.02 . 1 . . . . 52 ASP HA . 17866 1 520 . 1 1 52 52 ASP HB2 H 1 2.73 0.02 . 2 . . . . 52 ASP HB2 . 17866 1 521 . 1 1 52 52 ASP HB3 H 1 2.47 0.02 . 2 . . . . 52 ASP HB3 . 17866 1 522 . 1 1 52 52 ASP C C 13 176.2 0.20 . 1 . . . . 52 ASP C . 17866 1 523 . 1 1 52 52 ASP CA C 13 53.94 0.200 . 1 . . . . 52 ASP CA . 17866 1 524 . 1 1 52 52 ASP CB C 13 40.54 0.200 . 1 . . . . 52 ASP CB . 17866 1 525 . 1 1 52 52 ASP N N 15 119.36 0.20 . 1 . . . . 52 ASP N . 17866 1 526 . 1 1 53 53 ALA H H 1 7.77 0.02 . 1 . . . . 53 ALA H . 17866 1 527 . 1 1 53 53 ALA HA H 1 3.89 0.02 . 1 . . . . 53 ALA HA . 17866 1 528 . 1 1 53 53 ALA HB1 H 1 1.38 0.02 . 1 . . . . 53 ALA HB . 17866 1 529 . 1 1 53 53 ALA HB2 H 1 1.38 0.02 . 1 . . . . 53 ALA HB . 17866 1 530 . 1 1 53 53 ALA HB3 H 1 1.38 0.02 . 1 . . . . 53 ALA HB . 17866 1 531 . 1 1 53 53 ALA C C 13 179.82 0.20 . 1 . . . . 53 ALA C . 17866 1 532 . 1 1 53 53 ALA CA C 13 55.24 0.200 . 1 . . . . 53 ALA CA . 17866 1 533 . 1 1 53 53 ALA CB C 13 19.14 0.200 . 1 . . . . 53 ALA CB . 17866 1 534 . 1 1 53 53 ALA N N 15 123.44 0.20 . 1 . . . . 53 ALA N . 17866 1 535 . 1 1 54 54 VAL H H 1 8.46 0.02 . 1 . . . . 54 VAL H . 17866 1 536 . 1 1 54 54 VAL HA H 1 3.55 0.020 . 1 . . . . 54 VAL HA . 17866 1 537 . 1 1 54 54 VAL HB H 1 1.97 0.020 . 1 . . . . 54 VAL HB . 17866 1 538 . 1 1 54 54 VAL HG21 H 1 0.81 0.020 . 2 . . . . 54 VAL HG2 . 17866 1 539 . 1 1 54 54 VAL HG22 H 1 0.81 0.020 . 2 . . . . 54 VAL HG2 . 17866 1 540 . 1 1 54 54 VAL HG23 H 1 0.81 0.020 . 2 . . . . 54 VAL HG2 . 17866 1 541 . 1 1 54 54 VAL C C 13 175.59 0.20 . 1 . . . . 54 VAL C . 17866 1 542 . 1 1 54 54 VAL CA C 13 65.44 0.200 . 1 . . . . 54 VAL CA . 17866 1 543 . 1 1 54 54 VAL CB C 13 30.73 0.200 . 1 . . . . 54 VAL CB . 17866 1 544 . 1 1 54 54 VAL CG1 C 13 22.84 0.200 . 2 . . . . 54 VAL CG1 . 17866 1 545 . 1 1 54 54 VAL CG2 C 13 22.84 0.200 . 2 . . . . 54 VAL CG2 . 17866 1 546 . 1 1 54 54 VAL N N 15 117.85 0.20 . 1 . . . . 54 VAL N . 17866 1 547 . 1 1 55 55 ASP H H 1 7.68 0.02 . 1 . . . . 55 ASP H . 17866 1 548 . 1 1 55 55 ASP HA H 1 4.03 0.02 . 1 . . . . 55 ASP HA . 17866 1 549 . 1 1 55 55 ASP HB2 H 1 2.57 0.02 . 2 . . . . 55 ASP HB2 . 17866 1 550 . 1 1 55 55 ASP HB3 H 1 2.46 0.02 . 2 . . . . 55 ASP HB3 . 17866 1 551 . 1 1 55 55 ASP C C 13 178.11 0.20 . 1 . . . . 55 ASP C . 17866 1 552 . 1 1 55 55 ASP CA C 13 57.44 0.200 . 1 . . . . 55 ASP CA . 17866 1 553 . 1 1 55 55 ASP CB C 13 40.44 0.200 . 1 . . . . 55 ASP CB . 17866 1 554 . 1 1 55 55 ASP N N 15 121.27 0.20 . 1 . . . . 55 ASP N . 17866 1 555 . 1 1 56 56 LYS H H 1 7.57 0.02 . 1 . . . . 56 LYS H . 17866 1 556 . 1 1 56 56 LYS HA H 1 3.77 0.020 . 1 . . . . 56 LYS HA . 17866 1 557 . 1 1 56 56 LYS HB2 H 1 1.71 0.020 . 2 . . . . 56 LYS HB2 . 17866 1 558 . 1 1 56 56 LYS HB3 H 1 1.71 0.020 . 2 . . . . 56 LYS HB3 . 17866 1 559 . 1 1 56 56 LYS HG2 H 1 1.29 0.020 . 2 . . . . 56 LYS HG2 . 17866 1 560 . 1 1 56 56 LYS HG3 H 1 1.48 0.020 . 2 . . . . 56 LYS HG3 . 17866 1 561 . 1 1 56 56 LYS HD2 H 1 1.48 0.020 . 2 . . . . 56 LYS HD2 . 17866 1 562 . 1 1 56 56 LYS HD3 H 1 1.69 0.020 . 2 . . . . 56 LYS HD3 . 17866 1 563 . 1 1 56 56 LYS HE2 H 1 2.99 0.020 . 2 . . . . 56 LYS HE2 . 17866 1 564 . 1 1 56 56 LYS HE3 H 1 3.02 0.020 . 2 . . . . 56 LYS HE3 . 17866 1 565 . 1 1 56 56 LYS C C 13 177.36 0.20 . 1 . . . . 56 LYS C . 17866 1 566 . 1 1 56 56 LYS CA C 13 58.94 0.200 . 1 . . . . 56 LYS CA . 17866 1 567 . 1 1 56 56 LYS CB C 13 42.14 0.200 . 1 . . . . 56 LYS CB . 17866 1 568 . 1 1 56 56 LYS CG C 13 28.84 0.200 . 1 . . . . 56 LYS CG . 17866 1 569 . 1 1 56 56 LYS CD C 13 32.04 0.200 . 1 . . . . 56 LYS CD . 17866 1 570 . 1 1 56 56 LYS N N 15 118.66 0.20 . 1 . . . . 56 LYS N . 17866 1 571 . 1 1 57 57 LEU H H 1 7.47 0.02 . 1 . . . . 57 LEU H . 17866 1 572 . 1 1 57 57 LEU HA H 1 4 0.020 . 1 . . . . 57 LEU HA . 17866 1 573 . 1 1 57 57 LEU HB2 H 1 1.67 0.020 . 2 . . . . 57 LEU HB2 . 17866 1 574 . 1 1 57 57 LEU HB3 H 1 1.44 0.020 . 2 . . . . 57 LEU HB3 . 17866 1 575 . 1 1 57 57 LEU HG H 1 1.5 0.020 . 1 . . . . 57 LEU HG . 17866 1 576 . 1 1 57 57 LEU HD21 H 1 0.64 0.020 . 2 . . . . 57 LEU HD2 . 17866 1 577 . 1 1 57 57 LEU HD22 H 1 0.64 0.020 . 2 . . . . 57 LEU HD2 . 17866 1 578 . 1 1 57 57 LEU HD23 H 1 0.64 0.020 . 2 . . . . 57 LEU HD2 . 17866 1 579 . 1 1 57 57 LEU C C 13 177.58 0.20 . 1 . . . . 57 LEU C . 17866 1 580 . 1 1 57 57 LEU CA C 13 57.34 0.200 . 1 . . . . 57 LEU CA . 17866 1 581 . 1 1 57 57 LEU CB C 13 41.54 0.200 . 1 . . . . 57 LEU CB . 17866 1 582 . 1 1 57 57 LEU CD1 C 13 25.84 0.200 . 2 . . . . 57 LEU CD1 . 17866 1 583 . 1 1 57 57 LEU CD2 C 13 25.84 0.200 . 2 . . . . 57 LEU CD2 . 17866 1 584 . 1 1 57 57 LEU N N 15 119.98 0.20 . 1 . . . . 57 LEU N . 17866 1 585 . 1 1 58 58 LEU H H 1 8.28 0.02 . 1 . . . . 58 LEU H . 17866 1 586 . 1 1 58 58 LEU HA H 1 3.42 0.020 . 1 . . . . 58 LEU HA . 17866 1 587 . 1 1 58 58 LEU HB2 H 1 1.25 0.020 . 2 . . . . 58 LEU HB2 . 17866 1 588 . 1 1 58 58 LEU HB3 H 1 1.75 0.020 . 2 . . . . 58 LEU HB3 . 17866 1 589 . 1 1 58 58 LEU HD11 H 1 0.58 0.020 . 2 . . . . 58 LEU HD11 . 17866 1 590 . 1 1 58 58 LEU HD12 H 1 0.58 0.020 . 2 . . . . 58 LEU HD12 . 17866 1 591 . 1 1 58 58 LEU HD13 H 1 0.58 0.020 . 2 . . . . 58 LEU HD13 . 17866 1 592 . 1 1 58 58 LEU HD21 H 1 0.58 0.020 . 2 . . . . 58 LEU HD21 . 17866 1 593 . 1 1 58 58 LEU HD22 H 1 0.58 0.020 . 2 . . . . 58 LEU HD22 . 17866 1 594 . 1 1 58 58 LEU HD23 H 1 0.58 0.020 . 2 . . . . 58 LEU HD23 . 17866 1 595 . 1 1 58 58 LEU C C 13 177.31 0.20 . 1 . . . . 58 LEU C . 17866 1 596 . 1 1 58 58 LEU CA C 13 58.74 0.200 . 1 . . . . 58 LEU CA . 17866 1 597 . 1 1 58 58 LEU CB C 13 40.94 0.200 . 1 . . . . 58 LEU CB . 17866 1 598 . 1 1 58 58 LEU CD2 C 13 25.24 0.200 . 2 . . . . 58 LEU CD2 . 17866 1 599 . 1 1 58 58 LEU N N 15 117.89 0.20 . 1 . . . . 58 LEU N . 17866 1 600 . 1 1 59 59 LYS H H 1 7.36 0.02 . 1 . . . . 59 LYS H . 17866 1 601 . 1 1 59 59 LYS HA H 1 3.81 0.020 . 1 . . . . 59 LYS HA . 17866 1 602 . 1 1 59 59 LYS HB2 H 1 1.77 0.020 . 2 . . . . 59 LYS HB2 . 17866 1 603 . 1 1 59 59 LYS HB3 H 1 1.77 0.020 . 2 . . . . 59 LYS HB3 . 17866 1 604 . 1 1 59 59 LYS HG2 H 1 1.34 0.020 . 2 . . . . 59 LYS HG2 . 17866 1 605 . 1 1 59 59 LYS HG3 H 1 1.52 0.020 . 2 . . . . 59 LYS HG3 . 17866 1 606 . 1 1 59 59 LYS HD2 H 1 1.34 0.020 . 2 . . . . 59 LYS HD2 . 17866 1 607 . 1 1 59 59 LYS HD3 H 1 1.52 0.020 . 2 . . . . 59 LYS HD3 . 17866 1 608 . 1 1 59 59 LYS HE2 H 1 3.07 0.020 . 2 . . . . 59 LYS HE2 . 17866 1 609 . 1 1 59 59 LYS HE3 H 1 2.95 0.020 . 2 . . . . 59 LYS HE3 . 17866 1 610 . 1 1 59 59 LYS C C 13 178.28 0.20 . 1 . . . . 59 LYS C . 17866 1 611 . 1 1 59 59 LYS CA C 13 58.94 0.200 . 1 . . . . 59 LYS CA . 17866 1 612 . 1 1 59 59 LYS CG C 13 28.84 0.200 . 1 . . . . 59 LYS CG . 17866 1 613 . 1 1 59 59 LYS CD C 13 31.84 0.200 . 1 . . . . 59 LYS CD . 17866 1 614 . 1 1 59 59 LYS N N 15 116.06 0.20 . 1 . . . . 59 LYS N . 17866 1 615 . 1 1 60 60 ASP H H 1 7.77 0.02 . 1 . . . . 60 ASP H . 17866 1 616 . 1 1 60 60 ASP HA H 1 4.24 0.020 . 1 . . . . 60 ASP HA . 17866 1 617 . 1 1 60 60 ASP HB2 H 1 2.69 0.020 . 2 . . . . 60 ASP HB2 . 17866 1 618 . 1 1 60 60 ASP HB3 H 1 2.46 0.020 . 2 . . . . 60 ASP HB3 . 17866 1 619 . 1 1 60 60 ASP C C 13 177.58 0.20 . 1 . . . . 60 ASP C . 17866 1 620 . 1 1 60 60 ASP CA C 13 56.35 0.200 . 1 . . . . 60 ASP CA . 17866 1 621 . 1 1 60 60 ASP CB C 13 40.14 0.200 . 1 . . . . 60 ASP CB . 17866 1 622 . 1 1 60 60 ASP N N 15 118.24 0.20 . 1 . . . . 60 ASP N . 17866 1 623 . 1 1 61 61 LEU H H 1 7.82 0.02 . 1 . . . . 61 LEU H . 17866 1 624 . 1 1 61 61 LEU HA H 1 4.12 0.020 . 1 . . . . 61 LEU HA . 17866 1 625 . 1 1 61 61 LEU HB2 H 1 1.17 0.020 . 2 . . . . 61 LEU HB2 . 17866 1 626 . 1 1 61 61 LEU HB3 H 1 1.46 0.020 . 2 . . . . 61 LEU HB3 . 17866 1 627 . 1 1 61 61 LEU C C 13 178.35 0.20 . 1 . . . . 61 LEU C . 17866 1 628 . 1 1 61 61 LEU CA C 13 55.54 0.200 . 1 . . . . 61 LEU CA . 17866 1 629 . 1 1 61 61 LEU CB C 13 43.44 0.200 . 1 . . . . 61 LEU CB . 17866 1 630 . 1 1 61 61 LEU CG C 13 33.44 0.200 . 1 . . . . 61 LEU CG . 17866 1 631 . 1 1 61 61 LEU N N 15 117.63 0.20 . 1 . . . . 61 LEU N . 17866 1 632 . 1 1 62 62 ASP H H 1 7.98 0.02 . 1 . . . . 62 ASP H . 17866 1 633 . 1 1 62 62 ASP HA H 1 4.46 0.020 . 1 . . . . 62 ASP HA . 17866 1 634 . 1 1 62 62 ASP HB2 H 1 2.74 0.020 . 2 . . . . 62 ASP HB2 . 17866 1 635 . 1 1 62 62 ASP HB3 H 1 2.2 0.020 . 2 . . . . 62 ASP HB3 . 17866 1 636 . 1 1 62 62 ASP C C 13 175.41 0.20 . 1 . . . . 62 ASP C . 17866 1 637 . 1 1 62 62 ASP CA C 13 53.34 0.200 . 1 . . . . 62 ASP CA . 17866 1 638 . 1 1 62 62 ASP CB C 13 39.24 0.200 . 1 . . . . 62 ASP CB . 17866 1 639 . 1 1 62 62 ASP N N 15 117.3 0.20 . 1 . . . . 62 ASP N . 17866 1 640 . 1 1 63 63 ALA H H 1 7.98 0.02 . 1 . . . . 63 ALA H . 17866 1 641 . 1 1 63 63 ALA HA H 1 4.04 0.020 . 1 . . . . 63 ALA HA . 17866 1 642 . 1 1 63 63 ALA HB1 H 1 1.41 0.020 . 1 . . . . 63 ALA HB . 17866 1 643 . 1 1 63 63 ALA HB2 H 1 1.41 0.020 . 1 . . . . 63 ALA HB . 17866 1 644 . 1 1 63 63 ALA HB3 H 1 1.41 0.020 . 1 . . . . 63 ALA HB . 17866 1 645 . 1 1 63 63 ALA C C 13 178.19 0.20 . 1 . . . . 63 ALA C . 17866 1 646 . 1 1 63 63 ALA CA C 13 54.14 0.200 . 1 . . . . 63 ALA CA . 17866 1 647 . 1 1 63 63 ALA CB C 13 19.14 0.200 . 1 . . . . 63 ALA CB . 17866 1 648 . 1 1 63 63 ALA N N 15 131.29 0.20 . 1 . . . . 63 ALA N . 17866 1 649 . 1 1 64 64 ASN H H 1 7.89 0.02 . 1 . . . . 64 ASN H . 17866 1 650 . 1 1 64 64 ASN HA H 1 4.69 0.020 . 1 . . . . 64 ASN HA . 17866 1 651 . 1 1 64 64 ASN HB2 H 1 2.73 0.020 . 2 . . . . 64 ASN HB2 . 17866 1 652 . 1 1 64 64 ASN HB3 H 1 3.14 0.020 . 2 . . . . 64 ASN HB3 . 17866 1 653 . 1 1 64 64 ASN C C 13 176.07 0.20 . 1 . . . . 64 ASN C . 17866 1 654 . 1 1 64 64 ASN CA C 13 51.44 0.200 . 1 . . . . 64 ASN CA . 17866 1 655 . 1 1 64 64 ASN CB C 13 36.94 0.200 . 1 . . . . 64 ASN CB . 17866 1 656 . 1 1 64 64 ASN N N 15 111.43 0.20 . 1 . . . . 64 ASN N . 17866 1 657 . 1 1 65 65 GLY H H 1 7.44 0.02 . 1 . . . . 65 GLY H . 17866 1 658 . 1 1 65 65 GLY HA2 H 1 3.74 0.020 . 2 . . . . 65 GLY HA2 . 17866 1 659 . 1 1 65 65 GLY HA3 H 1 3.75 0.020 . 2 . . . . 65 GLY HA3 . 17866 1 660 . 1 1 65 65 GLY C C 13 174.38 0.20 . 1 . . . . 65 GLY C . 17866 1 661 . 1 1 65 65 GLY CA C 13 47.54 0.200 . 1 . . . . 65 GLY CA . 17866 1 662 . 1 1 65 65 GLY N N 15 109.04 0.20 . 1 . . . . 65 GLY N . 17866 1 663 . 1 1 66 66 ASP H H 1 8.14 0.02 . 1 . . . . 66 ASP H . 17866 1 664 . 1 1 66 66 ASP HA H 1 4.48 0.020 . 1 . . . . 66 ASP HA . 17866 1 665 . 1 1 66 66 ASP HB2 H 1 2.95 0.020 . 2 . . . . 66 ASP HB2 . 17866 1 666 . 1 1 66 66 ASP HB3 H 1 2.25 0.020 . 2 . . . . 66 ASP HB3 . 17866 1 667 . 1 1 66 66 ASP C C 13 176.02 0.20 . 1 . . . . 66 ASP C . 17866 1 668 . 1 1 66 66 ASP CA C 13 53.14 0.200 . 1 . . . . 66 ASP CA . 17866 1 669 . 1 1 66 66 ASP CB C 13 39.94 0.200 . 1 . . . . 66 ASP CB . 17866 1 670 . 1 1 66 66 ASP N N 15 120.13 0.20 . 1 . . . . 66 ASP N . 17866 1 671 . 1 1 67 67 ALA H H 1 10.17 0.02 . 1 . . . . 67 ALA H . 17866 1 672 . 1 1 67 67 ALA HA H 1 3.51 0.020 . 1 . . . . 67 ALA HA . 17866 1 673 . 1 1 67 67 ALA HB1 H 1 1.38 0.020 . 1 . . . . 67 ALA HB . 17866 1 674 . 1 1 67 67 ALA HB2 H 1 1.38 0.020 . 1 . . . . 67 ALA HB . 17866 1 675 . 1 1 67 67 ALA HB3 H 1 1.38 0.020 . 1 . . . . 67 ALA HB . 17866 1 676 . 1 1 67 67 ALA C C 13 174.21 0.20 . 1 . . . . 67 ALA C . 17866 1 677 . 1 1 67 67 ALA CA C 13 53.14 0.200 . 1 . . . . 67 ALA CA . 17866 1 678 . 1 1 67 67 ALA CB C 13 16.06 0.200 . 1 . . . . 67 ALA CB . 17866 1 679 . 1 1 67 67 ALA N N 15 122.17 0.20 . 1 . . . . 67 ALA N . 17866 1 680 . 1 1 68 68 GLN H H 1 7.7 0.02 . 1 . . . . 68 GLN H . 17866 1 681 . 1 1 68 68 GLN HA H 1 4.86 0.020 . 1 . . . . 68 GLN HA . 17866 1 682 . 1 1 68 68 GLN HB2 H 1 1.73 0.020 . 2 . . . . 68 GLN HB2 . 17866 1 683 . 1 1 68 68 GLN HB3 H 1 1.59 0.020 . 2 . . . . 68 GLN HB3 . 17866 1 684 . 1 1 68 68 GLN HG2 H 1 1.96 0.020 . 2 . . . . 68 GLN HG2 . 17866 1 685 . 1 1 68 68 GLN HG3 H 1 1.96 0.020 . 2 . . . . 68 GLN HG3 . 17866 1 686 . 1 1 68 68 GLN C C 13 174.47 0.20 . 1 . . . . 68 GLN C . 17866 1 687 . 1 1 68 68 GLN CB C 13 32.64 0.200 . 1 . . . . 68 GLN CB . 17866 1 688 . 1 1 68 68 GLN N N 15 112.97 0.20 . 1 . . . . 68 GLN N . 17866 1 689 . 1 1 69 69 VAL H H 1 9.75 0.02 . 1 . . . . 69 VAL H . 17866 1 690 . 1 1 69 69 VAL HA H 1 5.04 0.020 . 1 . . . . 69 VAL HA . 17866 1 691 . 1 1 69 69 VAL HB H 1 2.08 0.020 . 1 . . . . 69 VAL HB . 17866 1 692 . 1 1 69 69 VAL HG11 H 1 1.06 0.020 . 2 . . . . 69 VAL HG1 . 17866 1 693 . 1 1 69 69 VAL HG12 H 1 1.06 0.020 . 2 . . . . 69 VAL HG1 . 17866 1 694 . 1 1 69 69 VAL HG13 H 1 1.06 0.020 . 2 . . . . 69 VAL HG1 . 17866 1 695 . 1 1 69 69 VAL HG21 H 1 0.67 0.020 . 2 . . . . 69 VAL HG2 . 17866 1 696 . 1 1 69 69 VAL HG22 H 1 0.67 0.020 . 2 . . . . 69 VAL HG2 . 17866 1 697 . 1 1 69 69 VAL HG23 H 1 0.67 0.020 . 2 . . . . 69 VAL HG2 . 17866 1 698 . 1 1 69 69 VAL C C 13 175.52 0.20 . 1 . . . . 69 VAL C . 17866 1 699 . 1 1 69 69 VAL CA C 13 60.74 0.200 . 1 . . . . 69 VAL CA . 17866 1 700 . 1 1 69 69 VAL CB C 13 33.04 0.200 . 1 . . . . 69 VAL CB . 17866 1 701 . 1 1 69 69 VAL CG2 C 13 22.04 0.200 . 2 . . . . 69 VAL CG2 . 17866 1 702 . 1 1 69 69 VAL N N 15 125.63 0.20 . 1 . . . . 69 VAL N . 17866 1 703 . 1 1 70 70 ASP H H 1 8.96 0.02 . 1 . . . . 70 ASP H . 17866 1 704 . 1 1 70 70 ASP HA H 1 5.02 0.020 . 1 . . . . 70 ASP HA . 17866 1 705 . 1 1 70 70 ASP HB2 H 1 3.39 0.020 . 2 . . . . 70 ASP HB2 . 17866 1 706 . 1 1 70 70 ASP HB3 H 1 2.5 0.020 . 2 . . . . 70 ASP HB3 . 17866 1 707 . 1 1 70 70 ASP C C 13 174.82 0.20 . 1 . . . . 70 ASP C . 17866 1 708 . 1 1 70 70 ASP CA C 13 52.07 0.200 . 1 . . . . 70 ASP CA . 17866 1 709 . 1 1 70 70 ASP CB C 13 41.24 0.200 . 1 . . . . 70 ASP CB . 17866 1 710 . 1 1 70 70 ASP N N 15 128.67 0.20 . 1 . . . . 70 ASP N . 17866 1 711 . 1 1 71 71 PHE H H 1 9.21 0.02 . 1 . . . . 71 PHE H . 17866 1 712 . 1 1 71 71 PHE HA H 1 3.04 0.020 . 1 . . . . 71 PHE HA . 17866 1 713 . 1 1 71 71 PHE HB2 H 1 2.02 0.020 . 2 . . . . 71 PHE HB2 . 17866 1 714 . 1 1 71 71 PHE HB3 H 1 2.39 0.020 . 2 . . . . 71 PHE HB3 . 17866 1 715 . 1 1 71 71 PHE C C 13 174.85 0.20 . 1 . . . . 71 PHE C . 17866 1 716 . 1 1 71 71 PHE CA C 13 63.04 0.200 . 1 . . . . 71 PHE CA . 17866 1 717 . 1 1 71 71 PHE CB C 13 38.54 0.200 . 1 . . . . 71 PHE CB . 17866 1 718 . 1 1 71 71 PHE N N 15 119.34 0.20 . 1 . . . . 71 PHE N . 17866 1 719 . 1 1 72 72 SER H H 1 8.07 0.02 . 1 . . . . 72 SER H . 17866 1 720 . 1 1 72 72 SER HA H 1 4.16 0.020 . 1 . . . . 72 SER HA . 17866 1 721 . 1 1 72 72 SER HB2 H 1 3.89 0.020 . 2 . . . . 72 SER HB2 . 17866 1 722 . 1 1 72 72 SER HB3 H 1 3.74 0.020 . 2 . . . . 72 SER HB3 . 17866 1 723 . 1 1 72 72 SER C C 13 174.45 0.20 . 1 . . . . 72 SER C . 17866 1 724 . 1 1 72 72 SER CA C 13 61.57 0.200 . 1 . . . . 72 SER CA . 17866 1 725 . 1 1 72 72 SER CB C 13 62.34 0.200 . 1 . . . . 72 SER CB . 17866 1 726 . 1 1 72 72 SER N N 15 114.78 0.20 . 1 . . . . 72 SER N . 17866 1 727 . 1 1 73 73 GLU H H 1 8.07 0.02 . 1 . . . . 73 GLU H . 17866 1 728 . 1 1 73 73 GLU HA H 1 3.96 0.020 . 1 . . . . 73 GLU HA . 17866 1 729 . 1 1 73 73 GLU HB2 H 1 2.36 0.020 . 2 . . . . 73 GLU HB2 . 17866 1 730 . 1 1 73 73 GLU HB3 H 1 2.36 0.020 . 2 . . . . 73 GLU HB3 . 17866 1 731 . 1 1 73 73 GLU C C 13 178.6 0.20 . 1 . . . . 73 GLU C . 17866 1 732 . 1 1 73 73 GLU CA C 13 57.69 0.20 . 1 . . . . 73 GLU CA . 17866 1 733 . 1 1 73 73 GLU CB C 13 36.74 0.20 . 1 . . . . 73 GLU CB . 17866 1 734 . 1 1 73 73 GLU N N 15 122.34 0.20 . 1 . . . . 73 GLU N . 17866 1 735 . 1 1 74 74 PHE H H 1 8.51 0.20 . 1 . . . . 74 PHE H . 17866 1 736 . 1 1 74 74 PHE HA H 1 4.02 0.020 . 1 . . . . 74 PHE HA . 17866 1 737 . 1 1 74 74 PHE HB3 H 1 2.28 0.020 . 2 . . . . 74 PHE HB3 . 17866 1 738 . 1 1 74 74 PHE C C 13 176.75 0.20 . 1 . . . . 74 PHE C . 17866 1 739 . 1 1 74 74 PHE CA C 13 60.37 0.200 . 1 . . . . 74 PHE CA . 17866 1 740 . 1 1 74 74 PHE CB C 13 39.94 0.200 . 1 . . . . 74 PHE CB . 17866 1 741 . 1 1 74 74 PHE N N 15 120.26 0.20 . 1 . . . . 74 PHE N . 17866 1 742 . 1 1 75 75 ILE H H 1 8.67 0.02 . 1 . . . . 75 ILE H . 17866 1 743 . 1 1 75 75 ILE HA H 1 3.39 0.020 . 1 . . . . 75 ILE HA . 17866 1 744 . 1 1 75 75 ILE HB H 1 1.04 0.020 . 1 . . . . 75 ILE HB . 17866 1 745 . 1 1 75 75 ILE HG12 H 1 1.11 0.020 . 2 . . . . 75 ILE HG12 . 17866 1 746 . 1 1 75 75 ILE HG13 H 1 0.94 0.020 . 2 . . . . 75 ILE HG13 . 17866 1 747 . 1 1 75 75 ILE HG21 H 1 1.01 0.020 . 1 . . . . 75 ILE HG2 . 17866 1 748 . 1 1 75 75 ILE HG22 H 1 1.01 0.020 . 1 . . . . 75 ILE HG2 . 17866 1 749 . 1 1 75 75 ILE HG23 H 1 1.01 0.020 . 1 . . . . 75 ILE HG2 . 17866 1 750 . 1 1 75 75 ILE HD11 H 1 0.73 0.020 . 1 . . . . 75 ILE HD1 . 17866 1 751 . 1 1 75 75 ILE HD12 H 1 0.73 0.020 . 1 . . . . 75 ILE HD1 . 17866 1 752 . 1 1 75 75 ILE HD13 H 1 0.73 0.020 . 1 . . . . 75 ILE HD1 . 17866 1 753 . 1 1 75 75 ILE C C 13 175.85 0.20 . 1 . . . . 75 ILE C . 17866 1 754 . 1 1 75 75 ILE CA C 13 60.6 0.200 . 1 . . . . 75 ILE CA . 17866 1 755 . 1 1 75 75 ILE CG1 C 13 28.24 0.200 . 1 . . . . 75 ILE CG1 . 17866 1 756 . 1 1 75 75 ILE CG2 C 13 23.24 0.200 . 1 . . . . 75 ILE CG2 . 17866 1 757 . 1 1 75 75 ILE CD1 C 13 18.84 0.200 . 1 . . . . 75 ILE CD1 . 17866 1 758 . 1 1 75 75 ILE N N 15 119.21 0.20 . 1 . . . . 75 ILE N . 17866 1 759 . 1 1 76 76 VAL H H 1 6.71 0.02 . 1 . . . . 76 VAL H . 17866 1 760 . 1 1 76 76 VAL HA H 1 3.46 0.020 . 1 . . . . 76 VAL HA . 17866 1 761 . 1 1 76 76 VAL HB H 1 1.95 0.020 . 1 . . . . 76 VAL HB . 17866 1 762 . 1 1 76 76 VAL HG11 H 1 0.92 0.020 . 2 . . . . 76 VAL HG1 . 17866 1 763 . 1 1 76 76 VAL HG12 H 1 0.92 0.020 . 2 . . . . 76 VAL HG1 . 17866 1 764 . 1 1 76 76 VAL HG13 H 1 0.92 0.020 . 2 . . . . 76 VAL HG1 . 17866 1 765 . 1 1 76 76 VAL HG21 H 1 0.9 0.020 . 2 . . . . 76 VAL HG2 . 17866 1 766 . 1 1 76 76 VAL HG22 H 1 0.9 0.020 . 2 . . . . 76 VAL HG2 . 17866 1 767 . 1 1 76 76 VAL HG23 H 1 0.9 0.020 . 2 . . . . 76 VAL HG2 . 17866 1 768 . 1 1 76 76 VAL C C 13 177.68 0.20 . 1 . . . . 76 VAL C . 17866 1 769 . 1 1 76 76 VAL CA C 13 65.83 0.200 . 1 . . . . 76 VAL CA . 17866 1 770 . 1 1 76 76 VAL CB C 13 30.97 0.200 . 1 . . . . 76 VAL CB . 17866 1 771 . 1 1 76 76 VAL N N 15 120.64 0.20 . 1 . . . . 76 VAL N . 17866 1 772 . 1 1 77 77 PHE H H 1 6.74 0.02 . 1 . . . . 77 PHE H . 17866 1 773 . 1 1 77 77 PHE HA H 1 3.45 0.020 . 1 . . . . 77 PHE HA . 17866 1 774 . 1 1 77 77 PHE HB2 H 1 1.94 0.020 . 2 . . . . 77 PHE HB2 . 17866 1 775 . 1 1 77 77 PHE C C 13 175.58 0.20 . 1 . . . . 77 PHE C . 17866 1 776 . 1 1 77 77 PHE CA C 13 59.02 0.200 . 1 . . . . 77 PHE CA . 17866 1 777 . 1 1 77 77 PHE CB C 13 38.02 0.200 . 1 . . . . 77 PHE CB . 17866 1 778 . 1 1 77 77 PHE N N 15 122.46 0.200 . 1 . . . . 77 PHE N . 17866 1 779 . 1 1 78 78 VAL HA H 1 2.76 0.020 . 1 . . . . 78 VAL HA . 17866 1 780 . 1 1 78 78 VAL HB H 1 2.72 0.020 . 1 . . . . 78 VAL HB . 17866 1 781 . 1 1 78 78 VAL HG11 H 1 0.45 0.020 . 2 . . . . 78 VAL HG1 . 17866 1 782 . 1 1 78 78 VAL HG12 H 1 0.45 0.020 . 2 . . . . 78 VAL HG1 . 17866 1 783 . 1 1 78 78 VAL HG13 H 1 0.45 0.020 . 2 . . . . 78 VAL HG1 . 17866 1 784 . 1 1 78 78 VAL HG21 H 1 0.43 0.020 . 2 . . . . 78 VAL HG2 . 17866 1 785 . 1 1 78 78 VAL HG22 H 1 0.43 0.020 . 2 . . . . 78 VAL HG2 . 17866 1 786 . 1 1 78 78 VAL HG23 H 1 0.43 0.020 . 2 . . . . 78 VAL HG2 . 17866 1 787 . 1 1 78 78 VAL C C 13 178.75 0.20 . 1 . . . . 78 VAL C . 17866 1 788 . 1 1 78 78 VAL CA C 13 65.84 0.02 . 1 . . . . 78 VAL CA . 17866 1 789 . 1 1 78 78 VAL CB C 13 37.04 0.200 . 1 . . . . 78 VAL CB . 17866 1 790 . 1 1 78 78 VAL CG1 C 13 27.84 0.200 . 2 . . . . 78 VAL CG1 . 17866 1 791 . 1 1 78 78 VAL CG2 C 13 23.14 0.200 . 2 . . . . 78 VAL CG2 . 17866 1 792 . 1 1 79 79 ALA H H 1 8.16 0.02 . 1 . . . . 79 ALA H . 17866 1 793 . 1 1 79 79 ALA HA H 1 3.66 0.020 . 1 . . . . 79 ALA HA . 17866 1 794 . 1 1 79 79 ALA HB1 H 1 1.21 0.020 . 1 . . . . 79 ALA HB . 17866 1 795 . 1 1 79 79 ALA HB2 H 1 1.21 0.020 . 1 . . . . 79 ALA HB . 17866 1 796 . 1 1 79 79 ALA HB3 H 1 1.21 0.020 . 1 . . . . 79 ALA HB . 17866 1 797 . 1 1 79 79 ALA C C 13 177.98 0.20 . 1 . . . . 79 ALA C . 17866 1 798 . 1 1 79 79 ALA CA C 13 55.15 0.200 . 1 . . . . 79 ALA CA . 17866 1 799 . 1 1 79 79 ALA CB C 13 17.97 0.200 . 1 . . . . 79 ALA CB . 17866 1 800 . 1 1 79 79 ALA N N 15 123.68 0.20 . 1 . . . . 79 ALA N . 17866 1 801 . 1 1 80 80 ALA H H 1 7.53 0.02 . 1 . . . . 80 ALA H . 17866 1 802 . 1 1 80 80 ALA HA H 1 4.17 0.020 . 1 . . . . 80 ALA HA . 17866 1 803 . 1 1 80 80 ALA HB1 H 1 1.12 0.020 . 1 . . . . 80 ALA HB . 17866 1 804 . 1 1 80 80 ALA HB2 H 1 1.12 0.020 . 1 . . . . 80 ALA HB . 17866 1 805 . 1 1 80 80 ALA HB3 H 1 1.12 0.020 . 1 . . . . 80 ALA HB . 17866 1 806 . 1 1 80 80 ALA CA C 13 55.15 0.200 . 1 . . . . 80 ALA CA . 17866 1 807 . 1 1 80 80 ALA CB C 13 17.97 0.200 . 1 . . . . 80 ALA CB . 17866 1 808 . 1 1 80 80 ALA N N 15 121.78 0.20 . 1 . . . . 80 ALA N . 17866 1 809 . 1 1 81 81 ILE HA H 1 4.18 0.020 . 1 . . . . 81 ILE HA . 17866 1 810 . 1 1 81 81 ILE HB H 1 1.92 0.020 . 1 . . . . 81 ILE HB . 17866 1 811 . 1 1 81 81 ILE HG12 H 1 0.79 0.020 . 2 . . . . 81 ILE HG12 . 17866 1 812 . 1 1 81 81 ILE HG13 H 1 0.79 0.020 . 2 . . . . 81 ILE HG13 . 17866 1 813 . 1 1 81 81 ILE HG21 H 1 0.77 0.020 . 1 . . . . 81 ILE HG2 . 17866 1 814 . 1 1 81 81 ILE HG22 H 1 0.77 0.020 . 1 . . . . 81 ILE HG2 . 17866 1 815 . 1 1 81 81 ILE HG23 H 1 0.77 0.020 . 1 . . . . 81 ILE HG2 . 17866 1 816 . 1 1 81 81 ILE HD11 H 1 0.81 0.020 . 1 . . . . 81 ILE HD1 . 17866 1 817 . 1 1 81 81 ILE HD12 H 1 0.81 0.020 . 1 . . . . 81 ILE HD1 . 17866 1 818 . 1 1 81 81 ILE HD13 H 1 0.81 0.020 . 1 . . . . 81 ILE HD1 . 17866 1 819 . 1 1 81 81 ILE CB C 13 42.54 0.200 . 1 . . . . 81 ILE CB . 17866 1 820 . 1 1 81 81 ILE CG1 C 13 24.54 0.200 . 1 . . . . 81 ILE CG1 . 17866 1 821 . 1 1 81 81 ILE CG2 C 13 22.54 0.200 . 1 . . . . 81 ILE CG2 . 17866 1 822 . 1 1 81 81 ILE CD1 C 13 18.94 0.200 . 1 . . . . 81 ILE CD1 . 17866 1 823 . 1 1 82 82 THR HA H 1 4.43 0.020 . 1 . . . . 82 THR HA . 17866 1 824 . 1 1 82 82 THR HB H 1 3.79 0.020 . 1 . . . . 82 THR HB . 17866 1 825 . 1 1 82 82 THR HG21 H 1 1.36 0.020 . 1 . . . . 82 THR HG2 . 17866 1 826 . 1 1 82 82 THR HG22 H 1 1.36 0.020 . 1 . . . . 82 THR HG2 . 17866 1 827 . 1 1 82 82 THR HG23 H 1 1.36 0.020 . 1 . . . . 82 THR HG2 . 17866 1 828 . 1 1 82 82 THR C C 13 176.01 0.20 . 1 . . . . 82 THR C . 17866 1 829 . 1 1 82 82 THR CA C 13 61.58 0.200 . 1 . . . . 82 THR CA . 17866 1 830 . 1 1 82 82 THR CB C 13 69.24 0.200 . 1 . . . . 82 THR CB . 17866 1 831 . 1 1 83 83 SER H H 1 8.16 0.02 . 1 . . . . 83 SER H . 17866 1 832 . 1 1 83 83 SER HA H 1 4.17 0.020 . 1 . . . . 83 SER HA . 17866 1 833 . 1 1 83 83 SER HB2 H 1 3.85 0.020 . 2 . . . . 83 SER HB2 . 17866 1 834 . 1 1 83 83 SER HB3 H 1 3.71 0.020 . 2 . . . . 83 SER HB3 . 17866 1 835 . 1 1 83 83 SER C C 13 175.82 0.20 . 1 . . . . 83 SER C . 17866 1 836 . 1 1 83 83 SER CA C 13 61.44 0.200 . 1 . . . . 83 SER CA . 17866 1 837 . 1 1 83 83 SER CB C 13 69.24 0.200 . 1 . . . . 83 SER CB . 17866 1 838 . 1 1 83 83 SER N N 15 115.89 0.20 . 1 . . . . 83 SER N . 17866 1 839 . 1 1 84 84 ALA H H 1 7.7 0.02 . 1 . . . . 84 ALA H . 17866 1 840 . 1 1 84 84 ALA HA H 1 3.99 0.020 . 1 . . . . 84 ALA HA . 17866 1 841 . 1 1 84 84 ALA HB1 H 1 1.35 0.020 . 1 . . . . 84 ALA HB . 17866 1 842 . 1 1 84 84 ALA HB2 H 1 1.35 0.020 . 1 . . . . 84 ALA HB . 17866 1 843 . 1 1 84 84 ALA HB3 H 1 1.35 0.020 . 1 . . . . 84 ALA HB . 17866 1 844 . 1 1 84 84 ALA C C 13 179.23 0.20 . 1 . . . . 84 ALA C . 17866 1 845 . 1 1 84 84 ALA CA C 13 54.45 0.200 . 1 . . . . 84 ALA CA . 17866 1 846 . 1 1 84 84 ALA CB C 13 24.54 0.200 . 1 . . . . 84 ALA CB . 17866 1 847 . 1 1 84 84 ALA N N 15 123.01 0.20 . 1 . . . . 84 ALA N . 17866 1 848 . 1 1 85 85 CYS HA H 1 4.09 0.020 . 1 . . . . 85 CYS HA . 17866 1 849 . 1 1 85 85 CYS HB2 H 1 1.61 0.020 . 2 . . . . 85 CYS HB2 . 17866 1 850 . 1 1 85 85 CYS HB3 H 1 1.67 0.020 . 2 . . . . 85 CYS HB3 . 17866 1 851 . 1 1 85 85 CYS C C 13 175.43 0.20 . 1 . . . . 85 CYS C . 17866 1 852 . 1 1 85 85 CYS CA C 13 59.24 0.200 . 1 . . . . 85 CYS CA . 17866 1 853 . 1 1 85 85 CYS CB C 13 32.54 0.200 . 1 . . . . 85 CYS CB . 17866 1 854 . 1 1 86 86 HIS H H 1 7.95 0.02 . 1 . . . . 86 HIS H . 17866 1 855 . 1 1 86 86 HIS HA H 1 4.52 0.020 . 1 . . . . 86 HIS HA . 17866 1 856 . 1 1 86 86 HIS HB2 H 1 3.14 0.020 . 2 . . . . 86 HIS HB2 . 17866 1 857 . 1 1 86 86 HIS HB3 H 1 3.12 0.020 . 2 . . . . 86 HIS HB3 . 17866 1 858 . 1 1 86 86 HIS C C 13 176.73 0.20 . 1 . . . . 86 HIS C . 17866 1 859 . 1 1 86 86 HIS CA C 13 59.84 0.200 . 1 . . . . 86 HIS CA . 17866 1 860 . 1 1 86 86 HIS CB C 13 38.84 0.200 . 1 . . . . 86 HIS CB . 17866 1 861 . 1 1 86 86 HIS N N 15 120.27 0.20 . 1 . . . . 86 HIS N . 17866 1 862 . 1 1 87 87 LYS HB2 H 1 1.84 0.020 . 2 . . . . 87 LYS HB2 . 17866 1 863 . 1 1 87 87 LYS HB3 H 1 1.82 0.020 . 2 . . . . 87 LYS HB3 . 17866 1 864 . 1 1 87 87 LYS HG2 H 1 1.41 0.020 . 2 . . . . 87 LYS HG2 . 17866 1 865 . 1 1 87 87 LYS HG3 H 1 1.63 0.020 . 2 . . . . 87 LYS HG3 . 17866 1 866 . 1 1 87 87 LYS HD2 H 1 1.65 0.020 . 2 . . . . 87 LYS HD2 . 17866 1 867 . 1 1 87 87 LYS HD3 H 1 1.73 0.020 . 2 . . . . 87 LYS HD3 . 17866 1 868 . 1 1 87 87 LYS HE2 H 1 2.97 0.020 . 2 . . . . 87 LYS HE2 . 17866 1 869 . 1 1 87 87 LYS HE3 H 1 3.01 0.020 . 2 . . . . 87 LYS HE3 . 17866 1 870 . 1 1 87 87 LYS CB C 13 37.14 0.200 . 1 . . . . 87 LYS CB . 17866 1 871 . 1 1 87 87 LYS CG C 13 30.64 0.200 . 1 . . . . 87 LYS CG . 17866 1 872 . 1 1 88 88 TYR HA H 1 4.13 0.020 . 1 . . . . 88 TYR HA . 17866 1 873 . 1 1 88 88 TYR HB2 H 1 2.97 0.020 . 2 . . . . 88 TYR HB2 . 17866 1 874 . 1 1 88 88 TYR HB3 H 1 2.84 0.020 . 2 . . . . 88 TYR HB3 . 17866 1 875 . 1 1 88 88 TYR C C 13 176.11 0.20 . 1 . . . . 88 TYR C . 17866 1 876 . 1 1 88 88 TYR CA C 13 59.35 0.20 . 1 . . . . 88 TYR CA . 17866 1 877 . 1 1 88 88 TYR CB C 13 43.24 0.200 . 1 . . . . 88 TYR CB . 17866 1 878 . 1 1 89 89 PHE H H 1 7.69 0.02 . 1 . . . . 89 PHE H . 17866 1 879 . 1 1 89 89 PHE HA H 1 3.75 0.020 . 1 . . . . 89 PHE HA . 17866 1 880 . 1 1 89 89 PHE HB2 H 1 2.93 0.020 . 2 . . . . 89 PHE HB2 . 17866 1 881 . 1 1 89 89 PHE HB3 H 1 3.41 0.020 . 2 . . . . 89 PHE HB3 . 17866 1 882 . 1 1 89 89 PHE C C 13 176.28 0.20 . 1 . . . . 89 PHE C . 17866 1 883 . 1 1 89 89 PHE CA C 13 59.34 0.200 . 1 . . . . 89 PHE CA . 17866 1 884 . 1 1 89 89 PHE N N 15 118.46 0.20 . 1 . . . . 89 PHE N . 17866 1 885 . 1 1 90 90 GLU H H 1 7.81 0.02 . 1 . . . . 90 GLU H . 17866 1 886 . 1 1 90 90 GLU HA H 1 3.78 0.020 . 1 . . . . 90 GLU HA . 17866 1 887 . 1 1 90 90 GLU C C 13 176.66 0.20 . 1 . . . . 90 GLU C . 17866 1 888 . 1 1 90 90 GLU CA C 13 57.44 0.200 . 1 . . . . 90 GLU CA . 17866 1 889 . 1 1 90 90 GLU CB C 13 29.79 0.200 . 1 . . . . 90 GLU CB . 17866 1 890 . 1 1 90 90 GLU N N 15 120.63 0.20 . 1 . . . . 90 GLU N . 17866 1 891 . 1 1 91 91 LYS H H 1 7.78 0.02 . 1 . . . . 91 LYS H . 17866 1 892 . 1 1 91 91 LYS HA H 1 4.03 0.020 . 1 . . . . 91 LYS HA . 17866 1 893 . 1 1 91 91 LYS HB2 H 1 1.66 0.020 . 2 . . . . 91 LYS HB2 . 17866 1 894 . 1 1 91 91 LYS HB3 H 1 1.66 0.020 . 2 . . . . 91 LYS HB3 . 17866 1 895 . 1 1 91 91 LYS HG2 H 1 1.23 0.020 . 2 . . . . 91 LYS HG2 . 17866 1 896 . 1 1 91 91 LYS HG3 H 1 1.59 0.020 . 2 . . . . 91 LYS HG3 . 17866 1 897 . 1 1 91 91 LYS HD2 H 1 1.59 0.020 . 2 . . . . 91 LYS HD2 . 17866 1 898 . 1 1 91 91 LYS HD3 H 1 1.59 0.020 . 2 . . . . 91 LYS HD3 . 17866 1 899 . 1 1 91 91 LYS HE2 H 1 2.96 0.020 . 2 . . . . 91 LYS HE2 . 17866 1 900 . 1 1 91 91 LYS HE3 H 1 2.93 0.020 . 2 . . . . 91 LYS HE3 . 17866 1 901 . 1 1 91 91 LYS C C 13 176.26 0.20 . 1 . . . . 91 LYS C . 17866 1 902 . 1 1 91 91 LYS CA C 13 56.44 0.200 . 1 . . . . 91 LYS CA . 17866 1 903 . 1 1 91 91 LYS CB C 13 32.44 0.200 . 1 . . . . 91 LYS CB . 17866 1 904 . 1 1 91 91 LYS CG C 13 28.84 0.200 . 1 . . . . 91 LYS CG . 17866 1 905 . 1 1 91 91 LYS CD C 13 32.14 0.200 . 1 . . . . 91 LYS CD . 17866 1 906 . 1 1 91 91 LYS CE C 13 43.21 0.200 . 1 . . . . 91 LYS CE . 17866 1 907 . 1 1 91 91 LYS N N 15 119.97 0.20 . 1 . . . . 91 LYS N . 17866 1 908 . 1 1 92 92 ALA H H 1 7.91 0.02 . 1 . . . . 92 ALA H . 17866 1 909 . 1 1 92 92 ALA HA H 1 4.11 0.020 . 1 . . . . 92 ALA HA . 17866 1 910 . 1 1 92 92 ALA HB1 H 1 1.16 0.020 . 1 . . . . 92 ALA HB . 17866 1 911 . 1 1 92 92 ALA HB2 H 1 1.16 0.020 . 1 . . . . 92 ALA HB . 17866 1 912 . 1 1 92 92 ALA HB3 H 1 1.16 0.020 . 1 . . . . 92 ALA HB . 17866 1 913 . 1 1 92 92 ALA C C 13 177.58 0.20 . 1 . . . . 92 ALA C . 17866 1 914 . 1 1 92 92 ALA CA C 13 52.54 0.200 . 1 . . . . 92 ALA CA . 17866 1 915 . 1 1 92 92 ALA CB C 13 18.94 0.200 . 1 . . . . 92 ALA CB . 17866 1 916 . 1 1 92 92 ALA N N 15 122.98 0.20 . 1 . . . . 92 ALA N . 17866 1 917 . 1 1 93 93 GLY H H 1 7.96 0.02 . 1 . . . . 93 GLY H . 17866 1 918 . 1 1 93 93 GLY HA2 H 1 3.75 0.020 . 2 . . . . 93 GLY HA2 . 17866 1 919 . 1 1 93 93 GLY HA3 H 1 3.75 0.020 . 2 . . . . 93 GLY HA3 . 17866 1 920 . 1 1 93 93 GLY C C 13 173.62 0.20 . 1 . . . . 93 GLY C . 17866 1 921 . 1 1 93 93 GLY CA C 13 45.09 0.20 . 1 . . . . 93 GLY CA . 17866 1 922 . 1 1 93 93 GLY N N 15 106.85 0.20 . 1 . . . . 93 GLY N . 17866 1 923 . 1 1 94 94 LEU H H 1 7.77 0.02 . 1 . . . . 94 LEU H . 17866 1 924 . 1 1 94 94 LEU HA H 1 4.19 0.020 . 1 . . . . 94 LEU HA . 17866 1 925 . 1 1 94 94 LEU HB2 H 1 1.46 0.020 . 2 . . . . 94 LEU HB1 . 17866 1 926 . 1 1 94 94 LEU HB3 H 1 1.43 0.020 . 2 . . . . 94 LEU HB2 . 17866 1 927 . 1 1 94 94 LEU HG H 1 1.6 0.020 . 1 . . . . 94 LEU HG . 17866 1 928 . 1 1 94 94 LEU HD11 H 1 0.69 0.020 . 2 . . . . 94 LEU HD1 . 17866 1 929 . 1 1 94 94 LEU HD12 H 1 0.69 0.020 . 2 . . . . 94 LEU HD1 . 17866 1 930 . 1 1 94 94 LEU HD13 H 1 0.69 0.020 . 2 . . . . 94 LEU HD1 . 17866 1 931 . 1 1 94 94 LEU HD21 H 1 0.75 0.020 . 2 . . . . 94 LEU HD2 . 17866 1 932 . 1 1 94 94 LEU HD22 H 1 0.75 0.020 . 2 . . . . 94 LEU HD2 . 17866 1 933 . 1 1 94 94 LEU HD23 H 1 0.75 0.020 . 2 . . . . 94 LEU HD2 . 17866 1 934 . 1 1 94 94 LEU C C 13 175.92 0.20 . 1 . . . . 94 LEU C . 17866 1 935 . 1 1 94 94 LEU CA C 13 55.04 0.200 . 1 . . . . 94 LEU CA . 17866 1 936 . 1 1 94 94 LEU CB C 13 41.55 0.200 . 1 . . . . 94 LEU CB . 17866 1 937 . 1 1 94 94 LEU CD1 C 13 24.77 0.200 . 2 . . . . 94 LEU CD1 . 17866 1 938 . 1 1 94 94 LEU CD2 C 13 26.37 0.200 . 2 . . . . 94 LEU CD2 . 17866 1 939 . 1 1 94 94 LEU N N 15 121.14 0.20 . 1 . . . . 94 LEU N . 17866 1 940 . 1 1 95 95 LYS H H 1 7.64 0.02 . 1 . . . . 95 LYS H . 17866 1 941 . 1 1 95 95 LYS HA H 1 4.19 0.020 . 1 . . . . 95 LYS HA . 17866 1 942 . 1 1 95 95 LYS HB2 H 1 2 0.020 . 2 . . . . 95 LYS HB1 . 17866 1 943 . 1 1 95 95 LYS HB3 H 1 2.12 0.020 . 2 . . . . 95 LYS HB2 . 17866 1 944 . 1 1 95 95 LYS HD2 H 1 1.82 0.020 . 2 . . . . 95 LYS HD1 . 17866 1 945 . 1 1 95 95 LYS C C 13 180.74 0.20 . 1 . . . . 95 LYS C . 17866 1 946 . 1 1 95 95 LYS CA C 13 57.22 0.20 . 1 . . . . 95 LYS CA . 17866 1 947 . 1 1 95 95 LYS CB C 13 33.14 0.200 . 1 . . . . 95 LYS CB . 17866 1 948 . 1 1 95 95 LYS N N 15 126.2 0.20 . 1 . . . . 95 LYS N . 17866 1 stop_ save_