data_5155 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5155 _Entry.Title ; NMR structure of the UBX domain from P47 (energy minimised average) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-09-17 _Entry.Accession_date 2001-09-18 _Entry.Last_release_date 2001-10-18 _Entry.Original_release_date 2001-10-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 X. Yuan . M. . 5155 2 A. Shaw . . . 5155 3 X. Zhang . D. . 5155 4 H. Kondo . . . 5155 5 J. Lally . . . 5155 6 P. Freemont . S. . 5155 7 S. Matthews . J. . 5155 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5155 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 607 5155 '13C chemical shifts' 174 5155 '15N chemical shifts' 86 5155 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-10-18 2001-09-17 original author . 5155 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5155 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11478859 _Citation.Full_citation . _Citation.Title ; Solution Structure and Interaction Surface of the C-terminal Domain from p47: A Major p97-cofactor Involved in SNARE Disassembly ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 311 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 255 _Citation.Page_last 263 _Citation.Year 2001 _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 X. Yuan . M. . 5155 1 2 A. Shaw . . . 5155 1 3 X. Zhang . D. . 5155 1 4 H. Kondo . . . 5155 1 5 J. Lally . . . 5155 1 6 P. Freemont . S. . 5155 1 7 S. Matthews . J. . 5155 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ubiquitin superfold' 5155 1 UBX 5155 1 'unusual n-terminal feature' 5155 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p47 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p47 _Assembly.Entry_ID 5155 _Assembly.ID 1 _Assembly.Name 'p47 protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5155 1 stop_ 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 'p47 protein' 1 $p47 . . . native . . . . . 5155 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1JRU . . . . . . 5155 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'p47 protein' system 5155 1 p47 abbreviation 5155 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cofactor of the p97-regulated t-t-SNARE disassembly' 5155 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p47 _Entity.Sf_category entity _Entity.Sf_framecode p47 _Entity.Entry_ID 5155 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p47 _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 ; KASSSILINEAEPTTNIQIR LADGGRLVQKFNHSHRISDI RLFIVDARPAMAATSFVLMT TFPNKELADENQTLKEANLL NAVIVQRLT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 5876 . p47 . . . . . 100.00 200 100.00 100.00 1.15e-54 . . . . 5155 1 2 no PDB 1I42 . "Nmr Structure Of The Ubx Domain From P47" . . . . . 100.00 89 100.00 100.00 3.48e-56 . . . . 5155 1 3 no PDB 1JRU . "Nmr Structure Of The Ubx Domain From P47 (Energy Minimised Average)" . . . . . 100.00 89 100.00 100.00 3.48e-56 . . . . 5155 1 4 no PDB 1S3S . "Crystal Structure Of Aaa Atpase P97VCP ND1 IN COMPLEX WITH P47 C" . . . . . 100.00 127 100.00 100.00 4.95e-56 . . . . 5155 1 5 no DBJ BAA21659 . "p47 [Rattus norvegicus]" . . . . . 100.00 370 100.00 100.00 2.10e-53 . . . . 5155 1 6 no DBJ BAB28604 . "unnamed protein product [Mus musculus]" . . . . . 100.00 370 100.00 100.00 2.26e-53 . . . . 5155 1 7 no DBJ BAE23234 . "unnamed protein product [Mus musculus]" . . . . . 100.00 372 100.00 100.00 2.39e-53 . . . . 5155 1 8 no EMBL CAA71742 . "XY40 protein [Rattus norvegicus]" . . . . . 100.00 370 100.00 100.00 2.10e-53 . . . . 5155 1 9 no GB AAH50936 . "NSFL1 (p97) cofactor (p47) [Mus musculus]" . . . . . 100.00 372 100.00 100.00 2.39e-53 . . . . 5155 1 10 no GB AAH72464 . "NSFL1 (p97) cofactor (p47) [Rattus norvegicus]" . . . . . 100.00 370 100.00 100.00 2.10e-53 . . . . 5155 1 11 no GB AAI06102 . "Nsfl1c protein, partial [Mus musculus]" . . . . . 100.00 369 100.00 100.00 2.14e-53 . . . . 5155 1 12 no GB EDL05910 . "mCG13192, isoform CRA_a [Mus musculus]" . . . . . 100.00 410 100.00 100.00 3.63e-53 . . . . 5155 1 13 no GB EDL05911 . "mCG13192, isoform CRA_b [Mus musculus]" . . . . . 100.00 314 100.00 100.00 1.07e-53 . . . . 5155 1 14 no REF NP_001278003 . "NSFL1 cofactor p47 isoform b [Mus musculus]" . . . . . 100.00 370 100.00 100.00 2.26e-53 . . . . 5155 1 15 no REF NP_114187 . "NSFL1 cofactor p47 [Rattus norvegicus]" . . . . . 100.00 370 100.00 100.00 2.10e-53 . . . . 5155 1 16 no REF NP_938085 . "NSFL1 cofactor p47 isoform a [Mus musculus]" . . . . . 100.00 372 100.00 100.00 2.39e-53 . . . . 5155 1 17 no REF XP_003500001 . "PREDICTED: NSFL1 cofactor p47 isoform X1 [Cricetulus griseus]" . . . . . 100.00 372 100.00 100.00 2.44e-53 . . . . 5155 1 18 no REF XP_003500002 . "PREDICTED: NSFL1 cofactor p47 isoform X2 [Cricetulus griseus]" . . . . . 100.00 370 100.00 100.00 2.33e-53 . . . . 5155 1 19 no SP O35987 . "RecName: Full=NSFL1 cofactor p47; AltName: Full=XY body-associated protein XY40; AltName: Full=p97 cofactor p47 [Rattus norvegi" . . . . . 100.00 370 100.00 100.00 2.10e-53 . . . . 5155 1 20 no SP Q9CZ44 . "RecName: Full=NSFL1 cofactor p47; AltName: Full=p97 cofactor p47 [Mus musculus]" . . . . . 100.00 370 100.00 100.00 2.26e-53 . . . . 5155 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID p47 common 5155 1 p47 abbreviation 5155 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 . LYS . 5155 1 2 . ALA . 5155 1 3 . SER . 5155 1 4 . SER . 5155 1 5 . SER . 5155 1 6 . ILE . 5155 1 7 . LEU . 5155 1 8 . ILE . 5155 1 9 . ASN . 5155 1 10 . GLU . 5155 1 11 . ALA . 5155 1 12 . GLU . 5155 1 13 . PRO . 5155 1 14 . THR . 5155 1 15 . THR . 5155 1 16 . ASN . 5155 1 17 . ILE . 5155 1 18 . GLN . 5155 1 19 . ILE . 5155 1 20 . ARG . 5155 1 21 . LEU . 5155 1 22 . ALA . 5155 1 23 . ASP . 5155 1 24 . GLY . 5155 1 25 . GLY . 5155 1 26 . ARG . 5155 1 27 . LEU . 5155 1 28 . VAL . 5155 1 29 . GLN . 5155 1 30 . LYS . 5155 1 31 . PHE . 5155 1 32 . ASN . 5155 1 33 . HIS . 5155 1 34 . SER . 5155 1 35 . HIS . 5155 1 36 . ARG . 5155 1 37 . ILE . 5155 1 38 . SER . 5155 1 39 . ASP . 5155 1 40 . ILE . 5155 1 41 . ARG . 5155 1 42 . LEU . 5155 1 43 . PHE . 5155 1 44 . ILE . 5155 1 45 . VAL . 5155 1 46 . ASP . 5155 1 47 . ALA . 5155 1 48 . ARG . 5155 1 49 . PRO . 5155 1 50 . ALA . 5155 1 51 . MET . 5155 1 52 . ALA . 5155 1 53 . ALA . 5155 1 54 . THR . 5155 1 55 . SER . 5155 1 56 . PHE . 5155 1 57 . VAL . 5155 1 58 . LEU . 5155 1 59 . MET . 5155 1 60 . THR . 5155 1 61 . THR . 5155 1 62 . PHE . 5155 1 63 . PRO . 5155 1 64 . ASN . 5155 1 65 . LYS . 5155 1 66 . GLU . 5155 1 67 . LEU . 5155 1 68 . ALA . 5155 1 69 . ASP . 5155 1 70 . GLU . 5155 1 71 . ASN . 5155 1 72 . GLN . 5155 1 73 . THR . 5155 1 74 . LEU . 5155 1 75 . LYS . 5155 1 76 . GLU . 5155 1 77 . ALA . 5155 1 78 . ASN . 5155 1 79 . LEU . 5155 1 80 . LEU . 5155 1 81 . ASN . 5155 1 82 . ALA . 5155 1 83 . VAL . 5155 1 84 . ILE . 5155 1 85 . VAL . 5155 1 86 . GLN . 5155 1 87 . ARG . 5155 1 88 . LEU . 5155 1 89 . THR . 5155 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 . LYS 1 1 5155 1 . ALA 2 2 5155 1 . SER 3 3 5155 1 . SER 4 4 5155 1 . SER 5 5 5155 1 . ILE 6 6 5155 1 . LEU 7 7 5155 1 . ILE 8 8 5155 1 . ASN 9 9 5155 1 . GLU 10 10 5155 1 . ALA 11 11 5155 1 . GLU 12 12 5155 1 . PRO 13 13 5155 1 . THR 14 14 5155 1 . THR 15 15 5155 1 . ASN 16 16 5155 1 . ILE 17 17 5155 1 . GLN 18 18 5155 1 . ILE 19 19 5155 1 . ARG 20 20 5155 1 . LEU 21 21 5155 1 . ALA 22 22 5155 1 . ASP 23 23 5155 1 . GLY 24 24 5155 1 . GLY 25 25 5155 1 . ARG 26 26 5155 1 . LEU 27 27 5155 1 . VAL 28 28 5155 1 . GLN 29 29 5155 1 . LYS 30 30 5155 1 . PHE 31 31 5155 1 . ASN 32 32 5155 1 . HIS 33 33 5155 1 . SER 34 34 5155 1 . HIS 35 35 5155 1 . ARG 36 36 5155 1 . ILE 37 37 5155 1 . SER 38 38 5155 1 . ASP 39 39 5155 1 . ILE 40 40 5155 1 . ARG 41 41 5155 1 . LEU 42 42 5155 1 . PHE 43 43 5155 1 . ILE 44 44 5155 1 . VAL 45 45 5155 1 . ASP 46 46 5155 1 . ALA 47 47 5155 1 . ARG 48 48 5155 1 . PRO 49 49 5155 1 . ALA 50 50 5155 1 . MET 51 51 5155 1 . ALA 52 52 5155 1 . ALA 53 53 5155 1 . THR 54 54 5155 1 . SER 55 55 5155 1 . PHE 56 56 5155 1 . VAL 57 57 5155 1 . LEU 58 58 5155 1 . MET 59 59 5155 1 . THR 60 60 5155 1 . THR 61 61 5155 1 . PHE 62 62 5155 1 . PRO 63 63 5155 1 . ASN 64 64 5155 1 . LYS 65 65 5155 1 . GLU 66 66 5155 1 . LEU 67 67 5155 1 . ALA 68 68 5155 1 . ASP 69 69 5155 1 . GLU 70 70 5155 1 . ASN 71 71 5155 1 . GLN 72 72 5155 1 . THR 73 73 5155 1 . LEU 74 74 5155 1 . LYS 75 75 5155 1 . GLU 76 76 5155 1 . ALA 77 77 5155 1 . ASN 78 78 5155 1 . LEU 79 79 5155 1 . LEU 80 80 5155 1 . ASN 81 81 5155 1 . ALA 82 82 5155 1 . VAL 83 83 5155 1 . ILE 84 84 5155 1 . VAL 85 85 5155 1 . GLN 86 86 5155 1 . ARG 87 87 5155 1 . LEU 88 88 5155 1 . THR 89 89 5155 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 5155 _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 $p47 . 10116 . . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5155 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 5155 _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 $p47 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5155 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5155 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 p47 '[U-13C; U-15N]' . . 1 $p47 . . 1 . . mM . . . . 5155 1 2 NaAc . . . . . . . 20 . . mM . . . . 5155 1 3 H2O . . . . . . . 90 . . % . . . . 5155 1 4 D2O . . . . . . . 10 . . % . . . . 5155 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5155 _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 pH 5.2 0.1 n/a 5155 1 temperature 302 0.5 K 5155 1 pressure 1 . atm 5155 1 stop_ save_ ############################ # Computer software used # ############################ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 5155 _Software.ID 1 _Software.Name AURELIA _Software.Version 2.1.5 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5155 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5155 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5155 2 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5155 _Software.ID 3 _Software.Name XWINNMR _Software.Version . _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5155 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5155 _Software.ID 4 _Software.Name NMRView _Software.Version 3.1.1 _Software.Details Johnson loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5155 4 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5155 _Software.ID 5 _Software.Name X-PLOR _Software.Version 3.853 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5155 5 refinement 5155 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5155 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5155 _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 NMR_spectrometer Bruker DRX . 500 . . . 5155 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 5155 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5155 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5155 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5155 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5155 1 5 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5155 1 6 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5155 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5155 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5155 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5155 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5155 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5155 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBHA(CBCACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5155 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5155 _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 H 1 TSP 'methyl protons' . . . . ppm 0.00 external direct 1.0 external cylindrical parallel . . . . . . 5155 1 C 13 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . . . . . 5155 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 5155 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5155 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5155 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 LYS N N 15 120.220 0.01 . 1 . . . . . . . . 5155 1 2 . 1 1 1 1 LYS CA C 13 57.295 0.01 . 1 . . . . . . . . 5155 1 3 . 1 1 1 1 LYS HA H 1 4.182 0.01 . 1 . . . . . . . . 5155 1 4 . 1 1 1 1 LYS CB C 13 31.812 0.01 . 1 . . . . . . . . 5155 1 5 . 1 1 1 1 LYS HB3 H 1 1.902 0.01 . 1 . . . . . . . . 5155 1 6 . 1 1 1 1 LYS HB2 H 1 1.902 0.01 . 1 . . . . . . . . 5155 1 7 . 1 1 1 1 LYS HG3 H 1 1.454 0.01 . 1 . . . . . . . . 5155 1 8 . 1 1 1 1 LYS HG2 H 1 1.454 0.01 . 1 . . . . . . . . 5155 1 9 . 1 1 2 2 ALA N N 15 124.624 0.01 . 1 . . . . . . . . 5155 1 10 . 1 1 2 2 ALA H H 1 8.390 0.01 . 1 . . . . . . . . 5155 1 11 . 1 1 2 2 ALA CA C 13 53.282 0.01 . 1 . . . . . . . . 5155 1 12 . 1 1 2 2 ALA HA H 1 4.245 0.01 . 1 . . . . . . . . 5155 1 13 . 1 1 2 2 ALA CB C 13 18.805 0.01 . 1 . . . . . . . . 5155 1 14 . 1 1 2 2 ALA HB1 H 1 1.333 0.01 . 1 . . . . . . . . 5155 1 15 . 1 1 2 2 ALA HB2 H 1 1.333 0.01 . 1 . . . . . . . . 5155 1 16 . 1 1 2 2 ALA HB3 H 1 1.333 0.01 . 1 . . . . . . . . 5155 1 17 . 1 1 3 3 SER N N 15 113.833 0.01 . 1 . . . . . . . . 5155 1 18 . 1 1 3 3 SER H H 1 8.310 0.01 . 1 . . . . . . . . 5155 1 19 . 1 1 3 3 SER CA C 13 59.251 0.01 . 1 . . . . . . . . 5155 1 20 . 1 1 3 3 SER HA H 1 4.483 0.01 . 1 . . . . . . . . 5155 1 21 . 1 1 3 3 SER CB C 13 62.993 0.01 . 1 . . . . . . . . 5155 1 22 . 1 1 3 3 SER HB3 H 1 4.032 0.01 . 2 . . . . . . . . 5155 1 23 . 1 1 3 3 SER HB2 H 1 3.949 0.01 . 2 . . . . . . . . 5155 1 24 . 1 1 4 4 SER N N 15 117.136 0.01 . 1 . . . . . . . . 5155 1 25 . 1 1 4 4 SER H H 1 7.950 0.01 . 1 . . . . . . . . 5155 1 26 . 1 1 4 4 SER CA C 13 59.875 0.01 . 1 . . . . . . . . 5155 1 27 . 1 1 4 4 SER HA H 1 4.338 0.01 . 1 . . . . . . . . 5155 1 28 . 1 1 4 4 SER CB C 13 63.082 0.01 . 1 . . . . . . . . 5155 1 29 . 1 1 4 4 SER HB3 H 1 4.000 0.01 . 1 . . . . . . . . 5155 1 30 . 1 1 4 4 SER HB2 H 1 4.000 0.01 . 1 . . . . . . . . 5155 1 31 . 1 1 5 5 SER N N 15 116.476 0.01 . 1 . . . . . . . . 5155 1 32 . 1 1 5 5 SER H H 1 8.250 0.01 . 1 . . . . . . . . 5155 1 33 . 1 1 5 5 SER CA C 13 59.073 0.01 . 1 . . . . . . . . 5155 1 34 . 1 1 5 5 SER HA H 1 4.411 0.01 . 1 . . . . . . . . 5155 1 35 . 1 1 5 5 SER CB C 13 63.260 0.01 . 1 . . . . . . . . 5155 1 36 . 1 1 5 5 SER HB3 H 1 3.971 0.01 . 1 . . . . . . . . 5155 1 37 . 1 1 5 5 SER HB2 H 1 3.971 0.01 . 1 . . . . . . . . 5155 1 38 . 1 1 6 6 ILE N N 15 122.422 0.01 . 1 . . . . . . . . 5155 1 39 . 1 1 6 6 ILE H H 1 7.470 0.01 . 1 . . . . . . . . 5155 1 40 . 1 1 6 6 ILE CA C 13 59.429 0.01 . 1 . . . . . . . . 5155 1 41 . 1 1 6 6 ILE HA H 1 4.065 0.01 . 1 . . . . . . . . 5155 1 42 . 1 1 6 6 ILE CB C 13 36.533 0.01 . 1 . . . . . . . . 5155 1 43 . 1 1 6 6 ILE HB H 1 1.794 0.01 . 1 . . . . . . . . 5155 1 44 . 1 1 6 6 ILE HG13 H 1 1.348 0.01 . 1 . . . . . . . . 5155 1 45 . 1 1 6 6 ILE HG12 H 1 1.348 0.01 . 1 . . . . . . . . 5155 1 46 . 1 1 6 6 ILE HD11 H 1 0.484 0.01 . 1 . . . . . . . . 5155 1 47 . 1 1 6 6 ILE HD12 H 1 0.484 0.01 . 1 . . . . . . . . 5155 1 48 . 1 1 6 6 ILE HD13 H 1 0.484 0.01 . 1 . . . . . . . . 5155 1 49 . 1 1 6 6 ILE HG21 H 1 1.131 0.01 . 1 . . . . . . . . 5155 1 50 . 1 1 6 6 ILE HG22 H 1 1.131 0.01 . 1 . . . . . . . . 5155 1 51 . 1 1 6 6 ILE HG23 H 1 1.131 0.01 . 1 . . . . . . . . 5155 1 52 . 1 1 7 7 LEU N N 15 130.790 0.01 . 1 . . . . . . . . 5155 1 53 . 1 1 7 7 LEU H H 1 8.690 0.01 . 1 . . . . . . . . 5155 1 54 . 1 1 7 7 LEU CA C 13 53.817 0.01 . 1 . . . . . . . . 5155 1 55 . 1 1 7 7 LEU HA H 1 4.483 0.01 . 1 . . . . . . . . 5155 1 56 . 1 1 7 7 LEU CB C 13 41.433 0.01 . 1 . . . . . . . . 5155 1 57 . 1 1 7 7 LEU HB3 H 1 1.633 0.01 . 1 . . . . . . . . 5155 1 58 . 1 1 7 7 LEU HB2 H 1 1.633 0.01 . 1 . . . . . . . . 5155 1 59 . 1 1 7 7 LEU HG H 1 1.866 0.01 . 1 . . . . . . . . 5155 1 60 . 1 1 7 7 LEU HD11 H 1 0.864 0.01 . 2 . . . . . . . . 5155 1 61 . 1 1 7 7 LEU HD12 H 1 0.864 0.01 . 2 . . . . . . . . 5155 1 62 . 1 1 7 7 LEU HD13 H 1 0.864 0.01 . 2 . . . . . . . . 5155 1 63 . 1 1 7 7 LEU HD21 H 1 0.945 0.01 . 2 . . . . . . . . 5155 1 64 . 1 1 7 7 LEU HD22 H 1 0.945 0.01 . 2 . . . . . . . . 5155 1 65 . 1 1 7 7 LEU HD23 H 1 0.945 0.01 . 2 . . . . . . . . 5155 1 66 . 1 1 8 8 ILE N N 15 125.945 0.01 . 1 . . . . . . . . 5155 1 67 . 1 1 8 8 ILE H H 1 8.420 0.01 . 1 . . . . . . . . 5155 1 68 . 1 1 8 8 ILE CA C 13 58.182 0.01 . 1 . . . . . . . . 5155 1 69 . 1 1 8 8 ILE HA H 1 4.257 0.01 . 1 . . . . . . . . 5155 1 70 . 1 1 8 8 ILE CB C 13 37.781 0.01 . 1 . . . . . . . . 5155 1 71 . 1 1 8 8 ILE HB H 1 1.855 0.01 . 1 . . . . . . . . 5155 1 72 . 1 1 8 8 ILE HG13 H 1 2.990 0.01 . 2 . . . . . . . . 5155 1 73 . 1 1 8 8 ILE HG12 H 1 2.096 0.01 . 2 . . . . . . . . 5155 1 74 . 1 1 8 8 ILE HD11 H 1 0.385 0.01 . 1 . . . . . . . . 5155 1 75 . 1 1 8 8 ILE HD12 H 1 0.385 0.01 . 1 . . . . . . . . 5155 1 76 . 1 1 8 8 ILE HD13 H 1 0.385 0.01 . 1 . . . . . . . . 5155 1 77 . 1 1 8 8 ILE HG21 H 1 0.599 0.01 . 1 . . . . . . . . 5155 1 78 . 1 1 8 8 ILE HG22 H 1 0.599 0.01 . 1 . . . . . . . . 5155 1 79 . 1 1 8 8 ILE HG23 H 1 0.599 0.01 . 1 . . . . . . . . 5155 1 80 . 1 1 9 9 ASN N N 15 126.826 0.01 . 1 . . . . . . . . 5155 1 81 . 1 1 9 9 ASN H H 1 9.470 0.01 . 1 . . . . . . . . 5155 1 82 . 1 1 9 9 ASN CA C 13 51.233 0.01 . 1 . . . . . . . . 5155 1 83 . 1 1 9 9 ASN HA H 1 4.801 0.01 . 1 . . . . . . . . 5155 1 84 . 1 1 9 9 ASN CB C 13 37.424 0.01 . 1 . . . . . . . . 5155 1 85 . 1 1 9 9 ASN HB3 H 1 2.901 0.01 . 2 . . . . . . . . 5155 1 86 . 1 1 9 9 ASN HB2 H 1 2.710 0.01 . 2 . . . . . . . . 5155 1 87 . 1 1 9 9 ASN HD21 H 1 6.861 0.01 . 1 . . . . . . . . 5155 1 88 . 1 1 9 9 ASN HD22 H 1 7.438 0.01 . 1 . . . . . . . . 5155 1 89 . 1 1 10 10 GLU N N 15 126.166 0.01 . 1 . . . . . . . . 5155 1 90 . 1 1 10 10 GLU H H 1 9.070 0.01 . 1 . . . . . . . . 5155 1 91 . 1 1 10 10 GLU CA C 13 57.736 0.01 . 1 . . . . . . . . 5155 1 92 . 1 1 10 10 GLU HA H 1 4.052 0.01 . 1 . . . . . . . . 5155 1 93 . 1 1 10 10 GLU CB C 13 28.337 0.01 . 1 . . . . . . . . 5155 1 94 . 1 1 10 10 GLU HB3 H 1 2.192 0.01 . 2 . . . . . . . . 5155 1 95 . 1 1 10 10 GLU HB2 H 1 1.885 0.01 . 2 . . . . . . . . 5155 1 96 . 1 1 10 10 GLU HG3 H 1 2.343 0.01 . 1 . . . . . . . . 5155 1 97 . 1 1 10 10 GLU HG2 H 1 2.343 0.01 . 1 . . . . . . . . 5155 1 98 . 1 1 11 11 ALA N N 15 120.660 0.01 . 1 . . . . . . . . 5155 1 99 . 1 1 11 11 ALA H H 1 8.070 0.01 . 1 . . . . . . . . 5155 1 100 . 1 1 11 11 ALA CA C 13 51.589 0.01 . 1 . . . . . . . . 5155 1 101 . 1 1 11 11 ALA HA H 1 4.352 0.01 . 1 . . . . . . . . 5155 1 102 . 1 1 11 11 ALA CB C 13 18.627 0.01 . 1 . . . . . . . . 5155 1 103 . 1 1 11 11 ALA HB1 H 1 1.419 0.01 . 1 . . . . . . . . 5155 1 104 . 1 1 11 11 ALA HB2 H 1 1.419 0.01 . 1 . . . . . . . . 5155 1 105 . 1 1 11 11 ALA HB3 H 1 1.419 0.01 . 1 . . . . . . . . 5155 1 106 . 1 1 12 12 GLU N N 15 119.999 0.01 . 1 . . . . . . . . 5155 1 107 . 1 1 12 12 GLU H H 1 7.390 0.01 . 1 . . . . . . . . 5155 1 108 . 1 1 12 12 GLU CA C 13 52.480 0.01 . 1 . . . . . . . . 5155 1 109 . 1 1 12 12 GLU HA H 1 4.737 0.01 . 1 . . . . . . . . 5155 1 110 . 1 1 12 12 GLU CB C 13 30.921 0.01 . 1 . . . . . . . . 5155 1 111 . 1 1 12 12 GLU HB3 H 1 2.227 0.01 . 1 . . . . . . . . 5155 1 112 . 1 1 12 12 GLU HB2 H 1 2.227 0.01 . 1 . . . . . . . . 5155 1 113 . 1 1 12 12 GLU HG3 H 1 1.764 0.01 . 1 . . . . . . . . 5155 1 114 . 1 1 12 12 GLU HG2 H 1 1.764 0.01 . 1 . . . . . . . . 5155 1 115 . 1 1 13 13 PRO CA C 13 63.079 0.01 . 1 . . . . . . . . 5155 1 116 . 1 1 13 13 PRO HA H 1 4.254 0.01 . 1 . . . . . . . . 5155 1 117 . 1 1 13 13 PRO CB C 13 30.398 0.01 . 1 . . . . . . . . 5155 1 118 . 1 1 13 13 PRO HB3 H 1 1.739 0.01 . 2 . . . . . . . . 5155 1 119 . 1 1 13 13 PRO HB2 H 1 1.116 0.01 . 2 . . . . . . . . 5155 1 120 . 1 1 13 13 PRO HG3 H 1 2.199 0.01 . 1 . . . . . . . . 5155 1 121 . 1 1 13 13 PRO HG2 H 1 2.199 0.01 . 1 . . . . . . . . 5155 1 122 . 1 1 13 13 PRO HD3 H 1 3.715 0.01 . 2 . . . . . . . . 5155 1 123 . 1 1 13 13 PRO HD2 H 1 3.534 0.01 . 2 . . . . . . . . 5155 1 124 . 1 1 14 14 THR N N 15 113.172 0.01 . 1 . . . . . . . . 5155 1 125 . 1 1 14 14 THR H H 1 8.390 0.01 . 1 . . . . . . . . 5155 1 126 . 1 1 14 14 THR CA C 13 58.984 0.01 . 1 . . . . . . . . 5155 1 127 . 1 1 14 14 THR HA H 1 5.436 0.01 . 1 . . . . . . . . 5155 1 128 . 1 1 14 14 THR CB C 13 72.258 0.01 . 1 . . . . . . . . 5155 1 129 . 1 1 14 14 THR HB H 1 4.108 0.01 . 1 . . . . . . . . 5155 1 130 . 1 1 14 14 THR HG21 H 1 1.125 0.01 . 1 . . . . . . . . 5155 1 131 . 1 1 14 14 THR HG22 H 1 1.125 0.01 . 1 . . . . . . . . 5155 1 132 . 1 1 14 14 THR HG23 H 1 1.125 0.01 . 1 . . . . . . . . 5155 1 133 . 1 1 15 15 THR N N 15 116.035 0.01 . 1 . . . . . . . . 5155 1 134 . 1 1 15 15 THR H H 1 9.510 0.01 . 1 . . . . . . . . 5155 1 135 . 1 1 15 15 THR CA C 13 59.429 0.01 . 1 . . . . . . . . 5155 1 136 . 1 1 15 15 THR HA H 1 4.800 0.01 . 1 . . . . . . . . 5155 1 137 . 1 1 15 15 THR CB C 13 69.585 0.01 . 1 . . . . . . . . 5155 1 138 . 1 1 15 15 THR HB H 1 4.005 0.01 . 1 . . . . . . . . 5155 1 139 . 1 1 15 15 THR HG21 H 1 1.047 0.01 . 1 . . . . . . . . 5155 1 140 . 1 1 15 15 THR HG22 H 1 1.047 0.01 . 1 . . . . . . . . 5155 1 141 . 1 1 15 15 THR HG23 H 1 1.047 0.01 . 1 . . . . . . . . 5155 1 142 . 1 1 16 16 ASN N N 15 124.184 0.01 . 1 . . . . . . . . 5155 1 143 . 1 1 16 16 ASN H H 1 8.140 0.01 . 1 . . . . . . . . 5155 1 144 . 1 1 16 16 ASN CA C 13 52.213 0.01 . 1 . . . . . . . . 5155 1 145 . 1 1 16 16 ASN HA H 1 5.225 0.01 . 1 . . . . . . . . 5155 1 146 . 1 1 16 16 ASN CB C 13 39.830 0.01 . 1 . . . . . . . . 5155 1 147 . 1 1 16 16 ASN HB3 H 1 2.722 0.01 . 2 . . . . . . . . 5155 1 148 . 1 1 16 16 ASN HB2 H 1 2.342 0.01 . 2 . . . . . . . . 5155 1 149 . 1 1 17 17 ILE N N 15 124.404 0.01 . 1 . . . . . . . . 5155 1 150 . 1 1 17 17 ILE H H 1 8.580 0.01 . 1 . . . . . . . . 5155 1 151 . 1 1 17 17 ILE CA C 13 57.113 0.01 . 1 . . . . . . . . 5155 1 152 . 1 1 17 17 ILE HA H 1 4.607 0.01 . 1 . . . . . . . . 5155 1 153 . 1 1 17 17 ILE CB C 13 39.028 0.01 . 1 . . . . . . . . 5155 1 154 . 1 1 17 17 ILE HB H 1 2.262 0.01 . 1 . . . . . . . . 5155 1 155 . 1 1 17 17 ILE HG13 H 1 1.612 0.01 . 1 . . . . . . . . 5155 1 156 . 1 1 17 17 ILE HG12 H 1 1.612 0.01 . 1 . . . . . . . . 5155 1 157 . 1 1 17 17 ILE HD11 H 1 1.061 0.01 . 1 . . . . . . . . 5155 1 158 . 1 1 17 17 ILE HD12 H 1 1.061 0.01 . 1 . . . . . . . . 5155 1 159 . 1 1 17 17 ILE HD13 H 1 1.061 0.01 . 1 . . . . . . . . 5155 1 160 . 1 1 17 17 ILE HG21 H 1 0.791 0.01 . 1 . . . . . . . . 5155 1 161 . 1 1 17 17 ILE HG22 H 1 0.791 0.01 . 1 . . . . . . . . 5155 1 162 . 1 1 17 17 ILE HG23 H 1 0.791 0.01 . 1 . . . . . . . . 5155 1 163 . 1 1 18 18 GLN N N 15 125.285 0.01 . 1 . . . . . . . . 5155 1 164 . 1 1 18 18 GLN H H 1 8.090 0.01 . 1 . . . . . . . . 5155 1 165 . 1 1 18 18 GLN CA C 13 53.549 0.01 . 1 . . . . . . . . 5155 1 166 . 1 1 18 18 GLN HA H 1 5.119 0.01 . 1 . . . . . . . . 5155 1 167 . 1 1 18 18 GLN CB C 13 30.743 0.01 . 1 . . . . . . . . 5155 1 168 . 1 1 18 18 GLN HB3 H 1 2.127 0.01 . 2 . . . . . . . . 5155 1 169 . 1 1 18 18 GLN HB2 H 1 2.030 0.01 . 2 . . . . . . . . 5155 1 170 . 1 1 18 18 GLN HG3 H 1 2.403 0.01 . 1 . . . . . . . . 5155 1 171 . 1 1 18 18 GLN HG2 H 1 2.403 0.01 . 1 . . . . . . . . 5155 1 172 . 1 1 19 19 ILE N N 15 125.065 0.01 . 1 . . . . . . . . 5155 1 173 . 1 1 19 19 ILE H H 1 9.470 0.01 . 1 . . . . . . . . 5155 1 174 . 1 1 19 19 ILE CA C 13 59.429 0.01 . 1 . . . . . . . . 5155 1 175 . 1 1 19 19 ILE HA H 1 4.943 0.01 . 1 . . . . . . . . 5155 1 176 . 1 1 19 19 ILE CB C 13 40.631 0.01 . 1 . . . . . . . . 5155 1 177 . 1 1 19 19 ILE HB H 1 1.737 0.01 . 1 . . . . . . . . 5155 1 178 . 1 1 19 19 ILE HG13 H 1 1.560 0.01 . 1 . . . . . . . . 5155 1 179 . 1 1 19 19 ILE HG12 H 1 1.560 0.01 . 1 . . . . . . . . 5155 1 180 . 1 1 19 19 ILE HD11 H 1 0.959 0.01 . 1 . . . . . . . . 5155 1 181 . 1 1 19 19 ILE HD12 H 1 0.959 0.01 . 1 . . . . . . . . 5155 1 182 . 1 1 19 19 ILE HD13 H 1 0.959 0.01 . 1 . . . . . . . . 5155 1 183 . 1 1 19 19 ILE HG21 H 1 0.635 0.01 . 1 . . . . . . . . 5155 1 184 . 1 1 19 19 ILE HG22 H 1 0.635 0.01 . 1 . . . . . . . . 5155 1 185 . 1 1 19 19 ILE HG23 H 1 0.635 0.01 . 1 . . . . . . . . 5155 1 186 . 1 1 20 20 ARG N N 15 127.927 0.01 . 1 . . . . . . . . 5155 1 187 . 1 1 20 20 ARG H H 1 9.260 0.01 . 1 . . . . . . . . 5155 1 188 . 1 1 20 20 ARG CA C 13 54.084 0.01 . 1 . . . . . . . . 5155 1 189 . 1 1 20 20 ARG HA H 1 4.805 0.01 . 1 . . . . . . . . 5155 1 190 . 1 1 20 20 ARG CB C 13 29.317 0.01 . 1 . . . . . . . . 5155 1 191 . 1 1 20 20 ARG HB3 H 1 1.970 0.01 . 2 . . . . . . . . 5155 1 192 . 1 1 20 20 ARG HB2 H 1 1.787 0.01 . 2 . . . . . . . . 5155 1 193 . 1 1 20 20 ARG HG3 H 1 1.624 0.01 . 2 . . . . . . . . 5155 1 194 . 1 1 20 20 ARG HG2 H 1 1.478 0.01 . 2 . . . . . . . . 5155 1 195 . 1 1 21 21 LEU N N 15 124.184 0.01 . 1 . . . . . . . . 5155 1 196 . 1 1 21 21 LEU H H 1 8.440 0.01 . 1 . . . . . . . . 5155 1 197 . 1 1 21 21 LEU CA C 13 53.727 0.01 . 1 . . . . . . . . 5155 1 198 . 1 1 21 21 LEU HA H 1 4.294 0.01 . 1 . . . . . . . . 5155 1 199 . 1 1 21 21 LEU CB C 13 42.859 0.01 . 1 . . . . . . . . 5155 1 200 . 1 1 21 21 LEU HB3 H 1 1.856 0.01 . 2 . . . . . . . . 5155 1 201 . 1 1 21 21 LEU HB2 H 1 1.420 0.01 . 2 . . . . . . . . 5155 1 202 . 1 1 21 21 LEU HG H 1 0.750 0.01 . 1 . . . . . . . . 5155 1 203 . 1 1 21 21 LEU HD11 H 1 0.507 0.01 . 1 . . . . . . . . 5155 1 204 . 1 1 21 21 LEU HD12 H 1 0.507 0.01 . 1 . . . . . . . . 5155 1 205 . 1 1 21 21 LEU HD13 H 1 0.507 0.01 . 1 . . . . . . . . 5155 1 206 . 1 1 21 21 LEU HD21 H 1 0.507 0.01 . 1 . . . . . . . . 5155 1 207 . 1 1 21 21 LEU HD22 H 1 0.507 0.01 . 1 . . . . . . . . 5155 1 208 . 1 1 21 21 LEU HD23 H 1 0.507 0.01 . 1 . . . . . . . . 5155 1 209 . 1 1 22 22 ALA N N 15 124.404 0.01 . 1 . . . . . . . . 5155 1 210 . 1 1 22 22 ALA H H 1 9.170 0.01 . 1 . . . . . . . . 5155 1 211 . 1 1 22 22 ALA CA C 13 53.727 0.01 . 1 . . . . . . . . 5155 1 212 . 1 1 22 22 ALA HA H 1 4.238 0.01 . 1 . . . . . . . . 5155 1 213 . 1 1 22 22 ALA CB C 13 18.003 0.01 . 1 . . . . . . . . 5155 1 214 . 1 1 22 22 ALA HB1 H 1 1.280 0.01 . 1 . . . . . . . . 5155 1 215 . 1 1 22 22 ALA HB2 H 1 1.280 0.01 . 1 . . . . . . . . 5155 1 216 . 1 1 22 22 ALA HB3 H 1 1.280 0.01 . 1 . . . . . . . . 5155 1 217 . 1 1 23 23 ASP N N 15 114.494 0.01 . 1 . . . . . . . . 5155 1 218 . 1 1 23 23 ASP H H 1 7.440 0.01 . 1 . . . . . . . . 5155 1 219 . 1 1 23 23 ASP HA H 1 4.509 0.01 . 1 . . . . . . . . 5155 1 220 . 1 1 23 23 ASP HB3 H 1 3.063 0.01 . 2 . . . . . . . . 5155 1 221 . 1 1 23 23 ASP HB2 H 1 2.425 0.01 . 2 . . . . . . . . 5155 1 222 . 1 1 24 24 GLY N N 15 108.548 0.01 . 1 . . . . . . . . 5155 1 223 . 1 1 24 24 GLY H H 1 7.820 0.01 . 1 . . . . . . . . 5155 1 224 . 1 1 24 24 GLY CA C 13 44.284 0.01 . 1 . . . . . . . . 5155 1 225 . 1 1 24 24 GLY HA3 H 1 3.668 0.01 . 1 . . . . . . . . 5155 1 226 . 1 1 24 24 GLY HA2 H 1 3.668 0.01 . 1 . . . . . . . . 5155 1 227 . 1 1 25 25 GLY N N 15 109.869 0.01 . 1 . . . . . . . . 5155 1 228 . 1 1 25 25 GLY H H 1 8.470 0.01 . 1 . . . . . . . . 5155 1 229 . 1 1 25 25 GLY CA C 13 44.640 0.01 . 1 . . . . . . . . 5155 1 230 . 1 1 25 25 GLY HA3 H 1 3.775 0.01 . 1 . . . . . . . . 5155 1 231 . 1 1 25 25 GLY HA2 H 1 3.775 0.01 . 1 . . . . . . . . 5155 1 232 . 1 1 26 26 ARG N N 15 121.321 0.01 . 1 . . . . . . . . 5155 1 233 . 1 1 26 26 ARG H H 1 8.460 0.01 . 1 . . . . . . . . 5155 1 234 . 1 1 26 26 ARG CA C 13 54.173 0.01 . 1 . . . . . . . . 5155 1 235 . 1 1 26 26 ARG HA H 1 5.463 0.01 . 1 . . . . . . . . 5155 1 236 . 1 1 26 26 ARG CB C 13 32.792 0.01 . 1 . . . . . . . . 5155 1 237 . 1 1 26 26 ARG HB3 H 1 1.749 0.01 . 1 . . . . . . . . 5155 1 238 . 1 1 26 26 ARG HB2 H 1 1.749 0.01 . 1 . . . . . . . . 5155 1 239 . 1 1 26 26 ARG HG3 H 1 1.633 0.01 . 2 . . . . . . . . 5155 1 240 . 1 1 26 26 ARG HG2 H 1 1.487 0.01 . 2 . . . . . . . . 5155 1 241 . 1 1 26 26 ARG HD3 H 1 3.142 0.01 . 1 . . . . . . . . 5155 1 242 . 1 1 26 26 ARG HD2 H 1 3.142 0.01 . 1 . . . . . . . . 5155 1 243 . 1 1 27 27 LEU N N 15 123.743 0.01 . 1 . . . . . . . . 5155 1 244 . 1 1 27 27 LEU H H 1 8.830 0.01 . 1 . . . . . . . . 5155 1 245 . 1 1 27 27 LEU CA C 13 53.015 0.01 . 1 . . . . . . . . 5155 1 246 . 1 1 27 27 LEU HA H 1 4.955 0.01 . 1 . . . . . . . . 5155 1 247 . 1 1 27 27 LEU CB C 13 45.888 0.01 . 1 . . . . . . . . 5155 1 248 . 1 1 27 27 LEU HB3 H 1 1.715 0.01 . 1 . . . . . . . . 5155 1 249 . 1 1 27 27 LEU HB2 H 1 1.715 0.01 . 1 . . . . . . . . 5155 1 250 . 1 1 27 27 LEU HG H 1 1.523 0.01 . 1 . . . . . . . . 5155 1 251 . 1 1 27 27 LEU HD11 H 1 0.937 0.01 . 1 . . . . . . . . 5155 1 252 . 1 1 27 27 LEU HD12 H 1 0.937 0.01 . 1 . . . . . . . . 5155 1 253 . 1 1 27 27 LEU HD13 H 1 0.937 0.01 . 1 . . . . . . . . 5155 1 254 . 1 1 27 27 LEU HD21 H 1 0.937 0.01 . 1 . . . . . . . . 5155 1 255 . 1 1 27 27 LEU HD22 H 1 0.937 0.01 . 1 . . . . . . . . 5155 1 256 . 1 1 27 27 LEU HD23 H 1 0.937 0.01 . 1 . . . . . . . . 5155 1 257 . 1 1 28 28 VAL N N 15 122.202 0.01 . 1 . . . . . . . . 5155 1 258 . 1 1 28 28 VAL H H 1 8.630 0.01 . 1 . . . . . . . . 5155 1 259 . 1 1 28 28 VAL CA C 13 60.587 0.01 . 1 . . . . . . . . 5155 1 260 . 1 1 28 28 VAL HA H 1 5.028 0.01 . 1 . . . . . . . . 5155 1 261 . 1 1 28 28 VAL CB C 13 33.148 0.01 . 1 . . . . . . . . 5155 1 262 . 1 1 28 28 VAL HB H 1 1.927 0.01 . 1 . . . . . . . . 5155 1 263 . 1 1 28 28 VAL HG21 H 1 0.874 0.01 . 2 . . . . . . . . 5155 1 264 . 1 1 28 28 VAL HG22 H 1 0.874 0.01 . 2 . . . . . . . . 5155 1 265 . 1 1 28 28 VAL HG23 H 1 0.874 0.01 . 2 . . . . . . . . 5155 1 266 . 1 1 28 28 VAL HG11 H 1 0.800 0.01 . 2 . . . . . . . . 5155 1 267 . 1 1 28 28 VAL HG12 H 1 0.800 0.01 . 2 . . . . . . . . 5155 1 268 . 1 1 28 28 VAL HG13 H 1 0.800 0.01 . 2 . . . . . . . . 5155 1 269 . 1 1 29 29 GLN N N 15 128.588 0.01 . 1 . . . . . . . . 5155 1 270 . 1 1 29 29 GLN H H 1 8.650 0.01 . 1 . . . . . . . . 5155 1 271 . 1 1 29 29 GLN CA C 13 53.193 0.01 . 1 . . . . . . . . 5155 1 272 . 1 1 29 29 GLN HA H 1 4.298 0.01 . 1 . . . . . . . . 5155 1 273 . 1 1 29 29 GLN CB C 13 31.544 0.01 . 1 . . . . . . . . 5155 1 274 . 1 1 29 29 GLN HB3 H 1 1.614 0.01 . 1 . . . . . . . . 5155 1 275 . 1 1 29 29 GLN HB2 H 1 1.614 0.01 . 1 . . . . . . . . 5155 1 276 . 1 1 29 29 GLN HG3 H 1 2.352 0.01 . 1 . . . . . . . . 5155 1 277 . 1 1 29 29 GLN HG2 H 1 2.352 0.01 . 1 . . . . . . . . 5155 1 278 . 1 1 30 30 LYS N N 15 127.707 0.01 . 1 . . . . . . . . 5155 1 279 . 1 1 30 30 LYS H H 1 7.600 0.01 . 1 . . . . . . . . 5155 1 280 . 1 1 30 30 LYS CA C 13 55.420 0.01 . 1 . . . . . . . . 5155 1 281 . 1 1 30 30 LYS HA H 1 5.095 0.01 . 1 . . . . . . . . 5155 1 282 . 1 1 30 30 LYS CB C 13 33.237 0.01 . 1 . . . . . . . . 5155 1 283 . 1 1 30 30 LYS HB3 H 1 1.603 0.01 . 1 . . . . . . . . 5155 1 284 . 1 1 30 30 LYS HB2 H 1 1.603 0.01 . 1 . . . . . . . . 5155 1 285 . 1 1 30 30 LYS HG3 H 1 1.437 0.01 . 1 . . . . . . . . 5155 1 286 . 1 1 30 30 LYS HG2 H 1 1.437 0.01 . 1 . . . . . . . . 5155 1 287 . 1 1 30 30 LYS HD3 H 1 1.248 0.01 . 1 . . . . . . . . 5155 1 288 . 1 1 30 30 LYS HD2 H 1 1.248 0.01 . 1 . . . . . . . . 5155 1 289 . 1 1 31 31 PHE N N 15 119.559 0.01 . 1 . . . . . . . . 5155 1 290 . 1 1 31 31 PHE H H 1 8.720 0.01 . 1 . . . . . . . . 5155 1 291 . 1 1 31 31 PHE CA C 13 56.044 0.01 . 1 . . . . . . . . 5155 1 292 . 1 1 31 31 PHE HA H 1 4.584 0.01 . 1 . . . . . . . . 5155 1 293 . 1 1 31 31 PHE CB C 13 44.730 0.01 . 1 . . . . . . . . 5155 1 294 . 1 1 31 31 PHE HB3 H 1 3.531 0.01 . 1 . . . . . . . . 5155 1 295 . 1 1 31 31 PHE HB2 H 1 3.531 0.01 . 1 . . . . . . . . 5155 1 296 . 1 1 31 31 PHE HD1 H 1 6.675 0.01 . 1 . . . . . . . . 5155 1 297 . 1 1 31 31 PHE HE1 H 1 6.614 0.01 . 1 . . . . . . . . 5155 1 298 . 1 1 31 31 PHE HZ H 1 6.434 0.01 . 1 . . . . . . . . 5155 1 299 . 1 1 31 31 PHE HE2 H 1 6.614 0.01 . 1 . . . . . . . . 5155 1 300 . 1 1 31 31 PHE HD2 H 1 6.675 0.01 . 1 . . . . . . . . 5155 1 301 . 1 1 32 32 ASN N N 15 121.321 0.01 . 1 . . . . . . . . 5155 1 302 . 1 1 32 32 ASN H H 1 7.900 0.01 . 1 . . . . . . . . 5155 1 303 . 1 1 32 32 ASN CA C 13 57.469 0.01 . 1 . . . . . . . . 5155 1 304 . 1 1 32 32 ASN HA H 1 5.533 0.01 . 1 . . . . . . . . 5155 1 305 . 1 1 32 32 ASN CB C 13 40.899 0.01 . 1 . . . . . . . . 5155 1 306 . 1 1 32 32 ASN HB3 H 1 3.284 0.01 . 2 . . . . . . . . 5155 1 307 . 1 1 32 32 ASN HB2 H 1 2.721 0.01 . 2 . . . . . . . . 5155 1 308 . 1 1 33 33 HIS N N 15 119.999 0.01 . 1 . . . . . . . . 5155 1 309 . 1 1 33 33 HIS H H 1 7.950 0.01 . 1 . . . . . . . . 5155 1 310 . 1 1 33 33 HIS CA C 13 58.271 0.01 . 1 . . . . . . . . 5155 1 311 . 1 1 33 33 HIS HA H 1 4.175 0.01 . 1 . . . . . . . . 5155 1 312 . 1 1 33 33 HIS CB C 13 31.455 0.01 . 1 . . . . . . . . 5155 1 313 . 1 1 33 33 HIS HB3 H 1 3.231 0.01 . 2 . . . . . . . . 5155 1 314 . 1 1 33 33 HIS HB2 H 1 3.089 0.01 . 2 . . . . . . . . 5155 1 315 . 1 1 33 33 HIS HD2 H 1 6.270 0.01 . 1 . . . . . . . . 5155 1 316 . 1 1 33 33 HIS HE1 H 1 7.806 0.01 . 1 . . . . . . . . 5155 1 317 . 1 1 34 34 SER N N 15 105.464 0.01 . 1 . . . . . . . . 5155 1 318 . 1 1 34 34 SER H H 1 7.610 0.01 . 1 . . . . . . . . 5155 1 319 . 1 1 34 34 SER CA C 13 57.826 0.01 . 1 . . . . . . . . 5155 1 320 . 1 1 34 34 SER HA H 1 4.360 0.01 . 1 . . . . . . . . 5155 1 321 . 1 1 34 34 SER CB C 13 62.725 0.01 . 1 . . . . . . . . 5155 1 322 . 1 1 34 34 SER HB3 H 1 4.099 0.01 . 2 . . . . . . . . 5155 1 323 . 1 1 34 34 SER HB2 H 1 3.810 0.01 . 2 . . . . . . . . 5155 1 324 . 1 1 35 35 HIS N N 15 122.202 0.01 . 1 . . . . . . . . 5155 1 325 . 1 1 35 35 HIS H H 1 7.410 0.01 . 1 . . . . . . . . 5155 1 326 . 1 1 35 35 HIS CA C 13 62.013 0.01 . 1 . . . . . . . . 5155 1 327 . 1 1 35 35 HIS HA H 1 4.520 0.01 . 1 . . . . . . . . 5155 1 328 . 1 1 35 35 HIS CB C 13 31.277 0.01 . 1 . . . . . . . . 5155 1 329 . 1 1 35 35 HIS HB3 H 1 3.420 0.01 . 2 . . . . . . . . 5155 1 330 . 1 1 35 35 HIS HB2 H 1 3.305 0.01 . 2 . . . . . . . . 5155 1 331 . 1 1 35 35 HIS HD2 H 1 7.363 0.01 . 1 . . . . . . . . 5155 1 332 . 1 1 35 35 HIS HE1 H 1 7.866 0.01 . 1 . . . . . . . . 5155 1 333 . 1 1 36 36 ARG N N 15 118.458 0.01 . 1 . . . . . . . . 5155 1 334 . 1 1 36 36 ARG H H 1 9.870 0.01 . 1 . . . . . . . . 5155 1 335 . 1 1 36 36 ARG CA C 13 53.727 0.01 . 1 . . . . . . . . 5155 1 336 . 1 1 36 36 ARG HA H 1 5.140 0.01 . 1 . . . . . . . . 5155 1 337 . 1 1 36 36 ARG CB C 13 32.614 0.01 . 1 . . . . . . . . 5155 1 338 . 1 1 36 36 ARG HB3 H 1 1.984 0.01 . 2 . . . . . . . . 5155 1 339 . 1 1 36 36 ARG HB2 H 1 1.683 0.01 . 2 . . . . . . . . 5155 1 340 . 1 1 36 36 ARG HG3 H 1 1.450 0.01 . 2 . . . . . . . . 5155 1 341 . 1 1 36 36 ARG HG2 H 1 1.279 0.01 . 2 . . . . . . . . 5155 1 342 . 1 1 37 37 ILE N N 15 123.303 0.01 . 1 . . . . . . . . 5155 1 343 . 1 1 37 37 ILE H H 1 8.210 0.01 . 1 . . . . . . . . 5155 1 344 . 1 1 37 37 ILE CA C 13 65.131 0.01 . 1 . . . . . . . . 5155 1 345 . 1 1 37 37 ILE HA H 1 3.362 0.01 . 1 . . . . . . . . 5155 1 346 . 1 1 37 37 ILE CB C 13 36.088 0.01 . 1 . . . . . . . . 5155 1 347 . 1 1 37 37 ILE HB H 1 1.938 0.01 . 1 . . . . . . . . 5155 1 348 . 1 1 37 37 ILE HG13 H 1 2.201 0.01 . 2 . . . . . . . . 5155 1 349 . 1 1 37 37 ILE HG12 H 1 1.162 0.01 . 2 . . . . . . . . 5155 1 350 . 1 1 37 37 ILE HD11 H 1 0.332 0.01 . 1 . . . . . . . . 5155 1 351 . 1 1 37 37 ILE HD12 H 1 0.332 0.01 . 1 . . . . . . . . 5155 1 352 . 1 1 37 37 ILE HD13 H 1 0.332 0.01 . 1 . . . . . . . . 5155 1 353 . 1 1 37 37 ILE HG21 H 1 0.839 0.01 . 1 . . . . . . . . 5155 1 354 . 1 1 37 37 ILE HG22 H 1 0.839 0.01 . 1 . . . . . . . . 5155 1 355 . 1 1 37 37 ILE HG23 H 1 0.839 0.01 . 1 . . . . . . . . 5155 1 356 . 1 1 38 38 SER N N 15 114.714 0.01 . 1 . . . . . . . . 5155 1 357 . 1 1 38 38 SER H H 1 8.780 0.01 . 1 . . . . . . . . 5155 1 358 . 1 1 38 38 SER CA C 13 59.696 0.01 . 1 . . . . . . . . 5155 1 359 . 1 1 38 38 SER HA H 1 4.534 0.01 . 1 . . . . . . . . 5155 1 360 . 1 1 38 38 SER CB C 13 61.567 0.01 . 1 . . . . . . . . 5155 1 361 . 1 1 38 38 SER HB3 H 1 3.868 0.01 . 1 . . . . . . . . 5155 1 362 . 1 1 38 38 SER HB2 H 1 3.868 0.01 . 1 . . . . . . . . 5155 1 363 . 1 1 39 39 ASP N N 15 122.862 0.01 . 1 . . . . . . . . 5155 1 364 . 1 1 39 39 ASP H H 1 7.770 0.01 . 1 . . . . . . . . 5155 1 365 . 1 1 39 39 ASP CA C 13 58.004 0.01 . 1 . . . . . . . . 5155 1 366 . 1 1 39 39 ASP HA H 1 4.765 0.01 . 1 . . . . . . . . 5155 1 367 . 1 1 39 39 ASP CB C 13 40.275 0.01 . 1 . . . . . . . . 5155 1 368 . 1 1 39 39 ASP HB3 H 1 3.259 0.01 . 2 . . . . . . . . 5155 1 369 . 1 1 39 39 ASP HB2 H 1 2.743 0.01 . 2 . . . . . . . . 5155 1 370 . 1 1 40 40 ILE N N 15 121.761 0.01 . 1 . . . . . . . . 5155 1 371 . 1 1 40 40 ILE H H 1 7.663 0.01 . 1 . . . . . . . . 5155 1 372 . 1 1 40 40 ILE CA C 13 64.596 0.01 . 1 . . . . . . . . 5155 1 373 . 1 1 40 40 ILE HA H 1 3.721 0.01 . 1 . . . . . . . . 5155 1 374 . 1 1 40 40 ILE CB C 13 35.643 0.01 . 1 . . . . . . . . 5155 1 375 . 1 1 40 40 ILE HB H 1 2.216 0.01 . 1 . . . . . . . . 5155 1 376 . 1 1 40 40 ILE HG13 H 1 1.732 0.01 . 1 . . . . . . . . 5155 1 377 . 1 1 40 40 ILE HG12 H 1 1.732 0.01 . 1 . . . . . . . . 5155 1 378 . 1 1 40 40 ILE HD11 H 1 0.842 0.01 . 1 . . . . . . . . 5155 1 379 . 1 1 40 40 ILE HD12 H 1 0.842 0.01 . 1 . . . . . . . . 5155 1 380 . 1 1 40 40 ILE HD13 H 1 0.842 0.01 . 1 . . . . . . . . 5155 1 381 . 1 1 40 40 ILE HG21 H 1 1.114 0.01 . 1 . . . . . . . . 5155 1 382 . 1 1 40 40 ILE HG22 H 1 1.114 0.01 . 1 . . . . . . . . 5155 1 383 . 1 1 40 40 ILE HG23 H 1 1.114 0.01 . 1 . . . . . . . . 5155 1 384 . 1 1 41 41 ARG N N 15 119.999 0.01 . 1 . . . . . . . . 5155 1 385 . 1 1 41 41 ARG H H 1 7.390 0.01 . 1 . . . . . . . . 5155 1 386 . 1 1 41 41 ARG CA C 13 60.587 0.01 . 1 . . . . . . . . 5155 1 387 . 1 1 41 41 ARG HA H 1 3.898 0.01 . 1 . . . . . . . . 5155 1 388 . 1 1 41 41 ARG CB C 13 29.228 0.01 . 1 . . . . . . . . 5155 1 389 . 1 1 41 41 ARG HB3 H 1 2.075 0.01 . 1 . . . . . . . . 5155 1 390 . 1 1 41 41 ARG HB2 H 1 2.075 0.01 . 1 . . . . . . . . 5155 1 391 . 1 1 41 41 ARG HG3 H 1 1.866 0.01 . 2 . . . . . . . . 5155 1 392 . 1 1 41 41 ARG HG2 H 1 1.511 0.01 . 2 . . . . . . . . 5155 1 393 . 1 1 42 42 LEU N N 15 117.357 0.01 . 1 . . . . . . . . 5155 1 394 . 1 1 42 42 LEU H H 1 7.840 0.01 . 1 . . . . . . . . 5155 1 395 . 1 1 42 42 LEU CA C 13 57.558 0.01 . 1 . . . . . . . . 5155 1 396 . 1 1 42 42 LEU HA H 1 4.029 0.01 . 1 . . . . . . . . 5155 1 397 . 1 1 42 42 LEU CB C 13 40.721 0.01 . 1 . . . . . . . . 5155 1 398 . 1 1 42 42 LEU HB3 H 1 1.850 0.01 . 1 . . . . . . . . 5155 1 399 . 1 1 42 42 LEU HB2 H 1 1.850 0.01 . 1 . . . . . . . . 5155 1 400 . 1 1 42 42 LEU HG H 1 1.945 0.01 . 1 . . . . . . . . 5155 1 401 . 1 1 42 42 LEU HD11 H 1 0.916 0.01 . 2 . . . . . . . . 5155 1 402 . 1 1 42 42 LEU HD12 H 1 0.916 0.01 . 2 . . . . . . . . 5155 1 403 . 1 1 42 42 LEU HD13 H 1 0.916 0.01 . 2 . . . . . . . . 5155 1 404 . 1 1 42 42 LEU HD21 H 1 1.002 0.01 . 2 . . . . . . . . 5155 1 405 . 1 1 42 42 LEU HD22 H 1 1.002 0.01 . 2 . . . . . . . . 5155 1 406 . 1 1 42 42 LEU HD23 H 1 1.002 0.01 . 2 . . . . . . . . 5155 1 407 . 1 1 43 43 PHE N N 15 119.779 0.01 . 1 . . . . . . . . 5155 1 408 . 1 1 43 43 PHE H H 1 7.950 0.01 . 1 . . . . . . . . 5155 1 409 . 1 1 43 43 PHE CA C 13 60.498 0.01 . 1 . . . . . . . . 5155 1 410 . 1 1 43 43 PHE HA H 1 4.503 0.01 . 1 . . . . . . . . 5155 1 411 . 1 1 43 43 PHE CB C 13 38.672 0.01 . 1 . . . . . . . . 5155 1 412 . 1 1 43 43 PHE HB3 H 1 3.480 0.01 . 2 . . . . . . . . 5155 1 413 . 1 1 43 43 PHE HB2 H 1 3.415 0.01 . 2 . . . . . . . . 5155 1 414 . 1 1 43 43 PHE HD1 H 1 7.105 0.01 . 1 . . . . . . . . 5155 1 415 . 1 1 43 43 PHE HE1 H 1 7.054 0.01 . 1 . . . . . . . . 5155 1 416 . 1 1 43 43 PHE HZ H 1 7.315 0.01 . 1 . . . . . . . . 5155 1 417 . 1 1 43 43 PHE HE2 H 1 7.054 0.01 . 1 . . . . . . . . 5155 1 418 . 1 1 43 43 PHE HD2 H 1 7.105 0.01 . 1 . . . . . . . . 5155 1 419 . 1 1 44 44 ILE N N 15 119.339 0.01 . 1 . . . . . . . . 5155 1 420 . 1 1 44 44 ILE H H 1 8.220 0.01 . 1 . . . . . . . . 5155 1 421 . 1 1 44 44 ILE CA C 13 65.754 0.01 . 1 . . . . . . . . 5155 1 422 . 1 1 44 44 ILE HA H 1 4.276 0.01 . 1 . . . . . . . . 5155 1 423 . 1 1 44 44 ILE CB C 13 37.602 0.01 . 1 . . . . . . . . 5155 1 424 . 1 1 44 44 ILE HB H 1 2.070 0.01 . 1 . . . . . . . . 5155 1 425 . 1 1 44 44 ILE HG13 H 1 1.630 0.01 . 2 . . . . . . . . 5155 1 426 . 1 1 44 44 ILE HG12 H 1 1.493 0.01 . 2 . . . . . . . . 5155 1 427 . 1 1 44 44 ILE HD11 H 1 0.592 0.01 . 1 . . . . . . . . 5155 1 428 . 1 1 44 44 ILE HD12 H 1 0.592 0.01 . 1 . . . . . . . . 5155 1 429 . 1 1 44 44 ILE HD13 H 1 0.592 0.01 . 1 . . . . . . . . 5155 1 430 . 1 1 44 44 ILE HG21 H 1 1.455 0.01 . 1 . . . . . . . . 5155 1 431 . 1 1 44 44 ILE HG22 H 1 1.455 0.01 . 1 . . . . . . . . 5155 1 432 . 1 1 44 44 ILE HG23 H 1 1.455 0.01 . 1 . . . . . . . . 5155 1 433 . 1 1 45 45 VAL N N 15 115.595 0.01 . 1 . . . . . . . . 5155 1 434 . 1 1 45 45 VAL H H 1 7.720 0.01 . 1 . . . . . . . . 5155 1 435 . 1 1 45 45 VAL CA C 13 64.864 0.01 . 1 . . . . . . . . 5155 1 436 . 1 1 45 45 VAL HA H 1 4.205 0.01 . 1 . . . . . . . . 5155 1 437 . 1 1 45 45 VAL CB C 13 30.743 0.01 . 1 . . . . . . . . 5155 1 438 . 1 1 45 45 VAL HB H 1 2.077 0.01 . 1 . . . . . . . . 5155 1 439 . 1 1 45 45 VAL HG21 H 1 1.256 0.01 . 1 . . . . . . . . 5155 1 440 . 1 1 45 45 VAL HG22 H 1 1.256 0.01 . 1 . . . . . . . . 5155 1 441 . 1 1 45 45 VAL HG23 H 1 1.256 0.01 . 1 . . . . . . . . 5155 1 442 . 1 1 45 45 VAL HG11 H 1 1.256 0.01 . 1 . . . . . . . . 5155 1 443 . 1 1 45 45 VAL HG12 H 1 1.256 0.01 . 1 . . . . . . . . 5155 1 444 . 1 1 45 45 VAL HG13 H 1 1.256 0.01 . 1 . . . . . . . . 5155 1 445 . 1 1 46 46 ASP N N 15 120.220 0.01 . 1 . . . . . . . . 5155 1 446 . 1 1 46 46 ASP H H 1 7.920 0.01 . 1 . . . . . . . . 5155 1 447 . 1 1 46 46 ASP CA C 13 55.777 0.01 . 1 . . . . . . . . 5155 1 448 . 1 1 46 46 ASP HA H 1 4.378 0.01 . 1 . . . . . . . . 5155 1 449 . 1 1 46 46 ASP CB C 13 39.741 0.01 . 1 . . . . . . . . 5155 1 450 . 1 1 46 46 ASP HB3 H 1 2.735 0.01 . 2 . . . . . . . . 5155 1 451 . 1 1 46 46 ASP HB2 H 1 2.430 0.01 . 2 . . . . . . . . 5155 1 452 . 1 1 47 47 ALA N N 15 120.440 0.01 . 1 . . . . . . . . 5155 1 453 . 1 1 47 47 ALA H H 1 8.040 0.01 . 1 . . . . . . . . 5155 1 454 . 1 1 47 47 ALA CA C 13 53.282 0.01 . 1 . . . . . . . . 5155 1 455 . 1 1 47 47 ALA HA H 1 3.782 0.01 . 1 . . . . . . . . 5155 1 456 . 1 1 47 47 ALA CB C 13 18.270 0.01 . 1 . . . . . . . . 5155 1 457 . 1 1 47 47 ALA HB1 H 1 0.933 0.01 . 1 . . . . . . . . 5155 1 458 . 1 1 47 47 ALA HB2 H 1 0.933 0.01 . 1 . . . . . . . . 5155 1 459 . 1 1 47 47 ALA HB3 H 1 0.933 0.01 . 1 . . . . . . . . 5155 1 460 . 1 1 48 48 ARG N N 15 118.678 0.01 . 1 . . . . . . . . 5155 1 461 . 1 1 48 48 ARG H H 1 8.070 0.01 . 1 . . . . . . . . 5155 1 462 . 1 1 48 48 ARG CA C 13 56.311 0.01 . 1 . . . . . . . . 5155 1 463 . 1 1 48 48 ARG HA H 1 4.720 0.01 . 1 . . . . . . . . 5155 1 464 . 1 1 48 48 ARG CB C 13 28.605 0.01 . 1 . . . . . . . . 5155 1 465 . 1 1 48 48 ARG HB3 H 1 2.242 0.01 . 2 . . . . . . . . 5155 1 466 . 1 1 48 48 ARG HB2 H 1 1.959 0.01 . 2 . . . . . . . . 5155 1 467 . 1 1 48 48 ARG HG3 H 1 1.720 0.01 . 1 . . . . . . . . 5155 1 468 . 1 1 48 48 ARG HG2 H 1 1.720 0.01 . 1 . . . . . . . . 5155 1 469 . 1 1 48 48 ARG HD3 H 1 3.541 0.01 . 2 . . . . . . . . 5155 1 470 . 1 1 48 48 ARG HD2 H 1 3.376 0.01 . 2 . . . . . . . . 5155 1 471 . 1 1 49 49 PRO CA C 13 64.596 0.01 . 1 . . . . . . . . 5155 1 472 . 1 1 49 49 PRO HA H 1 4.681 0.01 . 1 . . . . . . . . 5155 1 473 . 1 1 49 49 PRO CB C 13 31.010 0.01 . 1 . . . . . . . . 5155 1 474 . 1 1 49 49 PRO HB3 H 1 2.445 0.01 . 1 . . . . . . . . 5155 1 475 . 1 1 49 49 PRO HB2 H 1 2.445 0.01 . 1 . . . . . . . . 5155 1 476 . 1 1 49 49 PRO HG3 H 1 2.171 0.01 . 2 . . . . . . . . 5155 1 477 . 1 1 49 49 PRO HG2 H 1 2.094 0.01 . 2 . . . . . . . . 5155 1 478 . 1 1 49 49 PRO HD3 H 1 3.977 0.01 . 2 . . . . . . . . 5155 1 479 . 1 1 49 49 PRO HD2 H 1 3.808 0.01 . 2 . . . . . . . . 5155 1 480 . 1 1 50 50 ALA N N 15 120.440 0.01 . 1 . . . . . . . . 5155 1 481 . 1 1 50 50 ALA H H 1 8.540 0.01 . 1 . . . . . . . . 5155 1 482 . 1 1 50 50 ALA CA C 13 53.727 0.01 . 1 . . . . . . . . 5155 1 483 . 1 1 50 50 ALA HA H 1 4.266 0.01 . 1 . . . . . . . . 5155 1 484 . 1 1 50 50 ALA CB C 13 17.914 0.01 . 1 . . . . . . . . 5155 1 485 . 1 1 50 50 ALA HB1 H 1 1.405 0.01 . 1 . . . . . . . . 5155 1 486 . 1 1 50 50 ALA HB2 H 1 1.405 0.01 . 1 . . . . . . . . 5155 1 487 . 1 1 50 50 ALA HB3 H 1 1.405 0.01 . 1 . . . . . . . . 5155 1 488 . 1 1 51 51 MET N N 15 116.035 0.01 . 1 . . . . . . . . 5155 1 489 . 1 1 51 51 MET H H 1 8.850 0.01 . 1 . . . . . . . . 5155 1 490 . 1 1 51 51 MET CA C 13 55.598 0.01 . 1 . . . . . . . . 5155 1 491 . 1 1 51 51 MET HA H 1 4.587 0.01 . 1 . . . . . . . . 5155 1 492 . 1 1 51 51 MET CB C 13 31.634 0.01 . 1 . . . . . . . . 5155 1 493 . 1 1 51 51 MET HB3 H 1 2.199 0.01 . 1 . . . . . . . . 5155 1 494 . 1 1 51 51 MET HB2 H 1 2.199 0.01 . 1 . . . . . . . . 5155 1 495 . 1 1 51 51 MET HG3 H 1 2.563 0.01 . 2 . . . . . . . . 5155 1 496 . 1 1 51 51 MET HG2 H 1 2.445 0.01 . 2 . . . . . . . . 5155 1 497 . 1 1 51 51 MET HE1 H 1 2.021 0.01 . 1 . . . . . . . . 5155 1 498 . 1 1 51 51 MET HE2 H 1 2.021 0.01 . 1 . . . . . . . . 5155 1 499 . 1 1 51 51 MET HE3 H 1 2.021 0.01 . 1 . . . . . . . . 5155 1 500 . 1 1 52 52 ALA N N 15 122.202 0.01 . 1 . . . . . . . . 5155 1 501 . 1 1 52 52 ALA H H 1 7.750 0.01 . 1 . . . . . . . . 5155 1 502 . 1 1 52 52 ALA CA C 13 54.618 0.01 . 1 . . . . . . . . 5155 1 503 . 1 1 52 52 ALA HA H 1 4.113 0.01 . 1 . . . . . . . . 5155 1 504 . 1 1 52 52 ALA CB C 13 18.270 0.01 . 1 . . . . . . . . 5155 1 505 . 1 1 52 52 ALA HB1 H 1 1.533 0.01 . 1 . . . . . . . . 5155 1 506 . 1 1 52 52 ALA HB2 H 1 1.533 0.01 . 1 . . . . . . . . 5155 1 507 . 1 1 52 52 ALA HB3 H 1 1.533 0.01 . 1 . . . . . . . . 5155 1 508 . 1 1 53 53 ALA N N 15 118.678 0.01 . 1 . . . . . . . . 5155 1 509 . 1 1 53 53 ALA H H 1 7.860 0.01 . 1 . . . . . . . . 5155 1 510 . 1 1 53 53 ALA CA C 13 50.966 0.01 . 1 . . . . . . . . 5155 1 511 . 1 1 53 53 ALA HA H 1 4.588 0.01 . 1 . . . . . . . . 5155 1 512 . 1 1 53 53 ALA CB C 13 18.627 0.01 . 1 . . . . . . . . 5155 1 513 . 1 1 53 53 ALA HB1 H 1 1.415 0.01 . 1 . . . . . . . . 5155 1 514 . 1 1 53 53 ALA HB2 H 1 1.415 0.01 . 1 . . . . . . . . 5155 1 515 . 1 1 53 53 ALA HB3 H 1 1.415 0.01 . 1 . . . . . . . . 5155 1 516 . 1 1 54 54 THR N N 15 115.595 0.01 . 1 . . . . . . . . 5155 1 517 . 1 1 54 54 THR H H 1 7.410 0.01 . 1 . . . . . . . . 5155 1 518 . 1 1 54 54 THR CA C 13 60.855 0.01 . 1 . . . . . . . . 5155 1 519 . 1 1 54 54 THR HA H 1 4.458 0.01 . 1 . . . . . . . . 5155 1 520 . 1 1 54 54 THR CB C 13 69.853 0.01 . 1 . . . . . . . . 5155 1 521 . 1 1 54 54 THR HB H 1 4.149 0.01 . 1 . . . . . . . . 5155 1 522 . 1 1 54 54 THR HG21 H 1 1.269 0.01 . 1 . . . . . . . . 5155 1 523 . 1 1 54 54 THR HG22 H 1 1.269 0.01 . 1 . . . . . . . . 5155 1 524 . 1 1 54 54 THR HG23 H 1 1.269 0.01 . 1 . . . . . . . . 5155 1 525 . 1 1 55 55 SER N N 15 121.981 0.01 . 1 . . . . . . . . 5155 1 526 . 1 1 55 55 SER H H 1 8.670 0.01 . 1 . . . . . . . . 5155 1 527 . 1 1 55 55 SER CA C 13 57.736 0.01 . 1 . . . . . . . . 5155 1 528 . 1 1 55 55 SER HA H 1 4.654 0.01 . 1 . . . . . . . . 5155 1 529 . 1 1 55 55 SER CB C 13 62.815 0.01 . 1 . . . . . . . . 5155 1 530 . 1 1 55 55 SER HB3 H 1 3.809 0.01 . 1 . . . . . . . . 5155 1 531 . 1 1 55 55 SER HB2 H 1 3.809 0.01 . 1 . . . . . . . . 5155 1 532 . 1 1 56 56 PHE N N 15 120.440 0.01 . 1 . . . . . . . . 5155 1 533 . 1 1 56 56 PHE H H 1 8.700 0.01 . 1 . . . . . . . . 5155 1 534 . 1 1 56 56 PHE CA C 13 56.044 0.01 . 1 . . . . . . . . 5155 1 535 . 1 1 56 56 PHE HA H 1 5.558 0.01 . 1 . . . . . . . . 5155 1 536 . 1 1 56 56 PHE CB C 13 40.988 0.01 . 1 . . . . . . . . 5155 1 537 . 1 1 56 56 PHE HB3 H 1 3.161 0.01 . 2 . . . . . . . . 5155 1 538 . 1 1 56 56 PHE HB2 H 1 2.977 0.01 . 2 . . . . . . . . 5155 1 539 . 1 1 56 56 PHE HD1 H 1 7.133 0.01 . 1 . . . . . . . . 5155 1 540 . 1 1 56 56 PHE HE1 H 1 7.133 0.01 . 1 . . . . . . . . 5155 1 541 . 1 1 56 56 PHE HZ H 1 7.133 0.01 . 1 . . . . . . . . 5155 1 542 . 1 1 56 56 PHE HE2 H 1 7.133 0.01 . 1 . . . . . . . . 5155 1 543 . 1 1 56 56 PHE HD2 H 1 7.133 0.01 . 1 . . . . . . . . 5155 1 544 . 1 1 57 57 VAL N N 15 116.916 0.01 . 1 . . . . . . . . 5155 1 545 . 1 1 57 57 VAL H H 1 9.330 0.01 . 1 . . . . . . . . 5155 1 546 . 1 1 57 57 VAL CA C 13 58.984 0.01 . 1 . . . . . . . . 5155 1 547 . 1 1 57 57 VAL HA H 1 4.404 0.01 . 1 . . . . . . . . 5155 1 548 . 1 1 57 57 VAL CB C 13 34.930 0.01 . 1 . . . . . . . . 5155 1 549 . 1 1 57 57 VAL HB H 1 2.204 0.01 . 1 . . . . . . . . 5155 1 550 . 1 1 57 57 VAL HG21 H 1 0.892 0.01 . 2 . . . . . . . . 5155 1 551 . 1 1 57 57 VAL HG22 H 1 0.892 0.01 . 2 . . . . . . . . 5155 1 552 . 1 1 57 57 VAL HG23 H 1 0.892 0.01 . 2 . . . . . . . . 5155 1 553 . 1 1 57 57 VAL HG11 H 1 0.832 0.01 . 2 . . . . . . . . 5155 1 554 . 1 1 57 57 VAL HG12 H 1 0.832 0.01 . 2 . . . . . . . . 5155 1 555 . 1 1 57 57 VAL HG13 H 1 0.832 0.01 . 2 . . . . . . . . 5155 1 556 . 1 1 58 58 LEU N N 15 123.082 0.01 . 1 . . . . . . . . 5155 1 557 . 1 1 58 58 LEU H H 1 9.260 0.01 . 1 . . . . . . . . 5155 1 558 . 1 1 58 58 LEU CA C 13 52.658 0.01 . 1 . . . . . . . . 5155 1 559 . 1 1 58 58 LEU HA H 1 5.279 0.01 . 1 . . . . . . . . 5155 1 560 . 1 1 58 58 LEU CB C 13 42.948 0.01 . 1 . . . . . . . . 5155 1 561 . 1 1 58 58 LEU HB3 H 1 1.924 0.01 . 2 . . . . . . . . 5155 1 562 . 1 1 58 58 LEU HB2 H 1 1.156 0.01 . 2 . . . . . . . . 5155 1 563 . 1 1 58 58 LEU HG H 1 1.698 0.01 . 1 . . . . . . . . 5155 1 564 . 1 1 58 58 LEU HD11 H 1 0.820 0.01 . 1 . . . . . . . . 5155 1 565 . 1 1 58 58 LEU HD12 H 1 0.820 0.01 . 1 . . . . . . . . 5155 1 566 . 1 1 58 58 LEU HD13 H 1 0.820 0.01 . 1 . . . . . . . . 5155 1 567 . 1 1 58 58 LEU HD21 H 1 0.820 0.01 . 1 . . . . . . . . 5155 1 568 . 1 1 58 58 LEU HD22 H 1 0.820 0.01 . 1 . . . . . . . . 5155 1 569 . 1 1 58 58 LEU HD23 H 1 0.820 0.01 . 1 . . . . . . . . 5155 1 570 . 1 1 59 59 MET N N 15 118.678 0.01 . 1 . . . . . . . . 5155 1 571 . 1 1 59 59 MET H H 1 8.970 0.01 . 1 . . . . . . . . 5155 1 572 . 1 1 59 59 MET CA C 13 53.371 0.01 . 1 . . . . . . . . 5155 1 573 . 1 1 59 59 MET HA H 1 5.392 0.01 . 1 . . . . . . . . 5155 1 574 . 1 1 59 59 MET CB C 13 36.177 0.01 . 1 . . . . . . . . 5155 1 575 . 1 1 59 59 MET HB3 H 1 2.069 0.01 . 2 . . . . . . . . 5155 1 576 . 1 1 59 59 MET HB2 H 1 1.935 0.01 . 2 . . . . . . . . 5155 1 577 . 1 1 59 59 MET HG3 H 1 2.325 0.01 . 1 . . . . . . . . 5155 1 578 . 1 1 59 59 MET HG2 H 1 2.325 0.01 . 1 . . . . . . . . 5155 1 579 . 1 1 59 59 MET HE1 H 1 1.646 0.01 . 1 . . . . . . . . 5155 1 580 . 1 1 59 59 MET HE2 H 1 1.646 0.01 . 1 . . . . . . . . 5155 1 581 . 1 1 59 59 MET HE3 H 1 1.646 0.01 . 1 . . . . . . . . 5155 1 582 . 1 1 60 60 THR N N 15 110.750 0.01 . 1 . . . . . . . . 5155 1 583 . 1 1 60 60 THR H H 1 8.620 0.01 . 1 . . . . . . . . 5155 1 584 . 1 1 60 60 THR CA C 13 60.409 0.01 . 1 . . . . . . . . 5155 1 585 . 1 1 60 60 THR HA H 1 4.934 0.01 . 1 . . . . . . . . 5155 1 586 . 1 1 60 60 THR CB C 13 69.674 0.01 . 1 . . . . . . . . 5155 1 587 . 1 1 60 60 THR HB H 1 4.526 0.01 . 1 . . . . . . . . 5155 1 588 . 1 1 60 60 THR HG21 H 1 1.265 0.01 . 1 . . . . . . . . 5155 1 589 . 1 1 60 60 THR HG22 H 1 1.265 0.01 . 1 . . . . . . . . 5155 1 590 . 1 1 60 60 THR HG23 H 1 1.265 0.01 . 1 . . . . . . . . 5155 1 591 . 1 1 61 61 THR N N 15 110.530 0.01 . 1 . . . . . . . . 5155 1 592 . 1 1 61 61 THR H H 1 8.420 0.01 . 1 . . . . . . . . 5155 1 593 . 1 1 61 61 THR CA C 13 61.033 0.01 . 1 . . . . . . . . 5155 1 594 . 1 1 61 61 THR HA H 1 4.404 0.01 . 1 . . . . . . . . 5155 1 595 . 1 1 61 61 THR CB C 13 69.229 0.01 . 1 . . . . . . . . 5155 1 596 . 1 1 61 61 THR HB H 1 4.008 0.01 . 1 . . . . . . . . 5155 1 597 . 1 1 61 61 THR HG21 H 1 1.010 0.01 . 1 . . . . . . . . 5155 1 598 . 1 1 61 61 THR HG22 H 1 1.010 0.01 . 1 . . . . . . . . 5155 1 599 . 1 1 61 61 THR HG23 H 1 1.010 0.01 . 1 . . . . . . . . 5155 1 600 . 1 1 62 62 PHE N N 15 118.238 0.01 . 1 . . . . . . . . 5155 1 601 . 1 1 62 62 PHE H H 1 7.610 0.01 . 1 . . . . . . . . 5155 1 602 . 1 1 62 62 PHE CA C 13 56.400 0.01 . 1 . . . . . . . . 5155 1 603 . 1 1 62 62 PHE HA H 1 4.441 0.01 . 1 . . . . . . . . 5155 1 604 . 1 1 62 62 PHE CB C 13 38.850 0.01 . 1 . . . . . . . . 5155 1 605 . 1 1 62 62 PHE HB3 H 1 3.660 0.01 . 2 . . . . . . . . 5155 1 606 . 1 1 62 62 PHE HB2 H 1 3.084 0.01 . 2 . . . . . . . . 5155 1 607 . 1 1 62 62 PHE HD1 H 1 7.293 0.01 . 1 . . . . . . . . 5155 1 608 . 1 1 62 62 PHE HD2 H 1 7.293 0.01 . 1 . . . . . . . . 5155 1 609 . 1 1 63 63 PRO CA C 13 64.596 0.01 . 1 . . . . . . . . 5155 1 610 . 1 1 63 63 PRO HA H 1 4.021 0.01 . 1 . . . . . . . . 5155 1 611 . 1 1 63 63 PRO CB C 13 31.010 0.01 . 1 . . . . . . . . 5155 1 612 . 1 1 63 63 PRO HB3 H 1 1.944 0.01 . 2 . . . . . . . . 5155 1 613 . 1 1 63 63 PRO HB2 H 1 1.785 0.01 . 2 . . . . . . . . 5155 1 614 . 1 1 63 63 PRO HG3 H 1 1.613 0.01 . 2 . . . . . . . . 5155 1 615 . 1 1 63 63 PRO HG2 H 1 1.469 0.01 . 2 . . . . . . . . 5155 1 616 . 1 1 63 63 PRO HD3 H 1 3.482 0.01 . 2 . . . . . . . . 5155 1 617 . 1 1 63 63 PRO HD2 H 1 3.068 0.01 . 2 . . . . . . . . 5155 1 618 . 1 1 64 64 ASN N N 15 120.660 0.01 . 1 . . . . . . . . 5155 1 619 . 1 1 64 64 ASN H H 1 8.540 0.01 . 1 . . . . . . . . 5155 1 620 . 1 1 64 64 ASN CA C 13 53.193 0.01 . 1 . . . . . . . . 5155 1 621 . 1 1 64 64 ASN HA H 1 4.828 0.01 . 1 . . . . . . . . 5155 1 622 . 1 1 64 64 ASN CB C 13 37.424 0.01 . 1 . . . . . . . . 5155 1 623 . 1 1 64 64 ASN HB3 H 1 2.687 0.01 . 1 . . . . . . . . 5155 1 624 . 1 1 64 64 ASN HB2 H 1 2.687 0.01 . 1 . . . . . . . . 5155 1 625 . 1 1 65 65 LYS N N 15 126.386 0.01 . 1 . . . . . . . . 5155 1 626 . 1 1 65 65 LYS H H 1 7.930 0.01 . 1 . . . . . . . . 5155 1 627 . 1 1 65 65 LYS CA C 13 55.331 0.01 . 1 . . . . . . . . 5155 1 628 . 1 1 65 65 LYS HA H 1 4.442 0.01 . 1 . . . . . . . . 5155 1 629 . 1 1 65 65 LYS CB C 13 34.663 0.01 . 1 . . . . . . . . 5155 1 630 . 1 1 65 65 LYS HB3 H 1 1.741 0.01 . 2 . . . . . . . . 5155 1 631 . 1 1 65 65 LYS HB2 H 1 1.574 0.01 . 2 . . . . . . . . 5155 1 632 . 1 1 66 66 GLU N N 15 124.844 0.01 . 1 . . . . . . . . 5155 1 633 . 1 1 66 66 GLU H H 1 8.750 0.01 . 1 . . . . . . . . 5155 1 634 . 1 1 66 66 GLU CA C 13 56.222 0.01 . 1 . . . . . . . . 5155 1 635 . 1 1 66 66 GLU HA H 1 4.417 0.01 . 1 . . . . . . . . 5155 1 636 . 1 1 66 66 GLU CB C 13 29.763 0.01 . 1 . . . . . . . . 5155 1 637 . 1 1 66 66 GLU HB3 H 1 1.952 0.01 . 1 . . . . . . . . 5155 1 638 . 1 1 66 66 GLU HB2 H 1 1.952 0.01 . 1 . . . . . . . . 5155 1 639 . 1 1 66 66 GLU HG3 H 1 2.223 0.01 . 1 . . . . . . . . 5155 1 640 . 1 1 66 66 GLU HG2 H 1 2.223 0.01 . 1 . . . . . . . . 5155 1 641 . 1 1 67 67 LEU N N 15 128.368 0.01 . 1 . . . . . . . . 5155 1 642 . 1 1 67 67 LEU H H 1 8.850 0.01 . 1 . . . . . . . . 5155 1 643 . 1 1 67 67 LEU CA C 13 53.015 0.01 . 1 . . . . . . . . 5155 1 644 . 1 1 67 67 LEU HA H 1 4.497 0.01 . 1 . . . . . . . . 5155 1 645 . 1 1 67 67 LEU CB C 13 38.137 0.01 . 1 . . . . . . . . 5155 1 646 . 1 1 67 67 LEU HB3 H 1 1.859 0.01 . 2 . . . . . . . . 5155 1 647 . 1 1 67 67 LEU HB2 H 1 1.335 0.01 . 2 . . . . . . . . 5155 1 648 . 1 1 67 67 LEU HG H 1 1.624 0.01 . 1 . . . . . . . . 5155 1 649 . 1 1 67 67 LEU HD11 H 1 0.864 0.01 . 1 . . . . . . . . 5155 1 650 . 1 1 67 67 LEU HD12 H 1 0.864 0.01 . 1 . . . . . . . . 5155 1 651 . 1 1 67 67 LEU HD13 H 1 0.864 0.01 . 1 . . . . . . . . 5155 1 652 . 1 1 67 67 LEU HD21 H 1 0.864 0.01 . 1 . . . . . . . . 5155 1 653 . 1 1 67 67 LEU HD22 H 1 0.864 0.01 . 1 . . . . . . . . 5155 1 654 . 1 1 67 67 LEU HD23 H 1 0.864 0.01 . 1 . . . . . . . . 5155 1 655 . 1 1 68 68 ALA N N 15 125.065 0.01 . 1 . . . . . . . . 5155 1 656 . 1 1 68 68 ALA H H 1 7.540 0.01 . 1 . . . . . . . . 5155 1 657 . 1 1 68 68 ALA CA C 13 53.015 0.01 . 1 . . . . . . . . 5155 1 658 . 1 1 68 68 ALA HA H 1 4.359 0.01 . 1 . . . . . . . . 5155 1 659 . 1 1 68 68 ALA CB C 13 19.250 0.01 . 1 . . . . . . . . 5155 1 660 . 1 1 68 68 ALA HB1 H 1 1.353 0.01 . 1 . . . . . . . . 5155 1 661 . 1 1 68 68 ALA HB2 H 1 1.353 0.01 . 1 . . . . . . . . 5155 1 662 . 1 1 68 68 ALA HB3 H 1 1.353 0.01 . 1 . . . . . . . . 5155 1 663 . 1 1 69 69 ASP N N 15 117.357 0.01 . 1 . . . . . . . . 5155 1 664 . 1 1 69 69 ASP H H 1 8.110 0.01 . 1 . . . . . . . . 5155 1 665 . 1 1 69 69 ASP CA C 13 51.589 0.01 . 1 . . . . . . . . 5155 1 666 . 1 1 69 69 ASP HA H 1 4.849 0.01 . 1 . . . . . . . . 5155 1 667 . 1 1 69 69 ASP CB C 13 39.384 0.01 . 1 . . . . . . . . 5155 1 668 . 1 1 69 69 ASP HB3 H 1 2.857 0.01 . 2 . . . . . . . . 5155 1 669 . 1 1 69 69 ASP HB2 H 1 2.490 0.01 . 2 . . . . . . . . 5155 1 670 . 1 1 70 70 GLU N N 15 122.642 0.01 . 1 . . . . . . . . 5155 1 671 . 1 1 70 70 GLU H H 1 8.750 0.01 . 1 . . . . . . . . 5155 1 672 . 1 1 70 70 GLU CA C 13 57.380 0.01 . 1 . . . . . . . . 5155 1 673 . 1 1 70 70 GLU HA H 1 4.713 0.01 . 1 . . . . . . . . 5155 1 674 . 1 1 70 70 GLU CB C 13 27.090 0.01 . 1 . . . . . . . . 5155 1 675 . 1 1 70 70 GLU HB3 H 1 2.025 0.01 . 2 . . . . . . . . 5155 1 676 . 1 1 70 70 GLU HB2 H 1 1.780 0.01 . 2 . . . . . . . . 5155 1 677 . 1 1 71 71 ASN N N 15 115.815 0.01 . 1 . . . . . . . . 5155 1 678 . 1 1 71 71 ASN H H 1 8.270 0.01 . 1 . . . . . . . . 5155 1 679 . 1 1 71 71 ASN CA C 13 53.015 0.01 . 1 . . . . . . . . 5155 1 680 . 1 1 71 71 ASN HA H 1 4.806 0.01 . 1 . . . . . . . . 5155 1 681 . 1 1 71 71 ASN CB C 13 38.493 0.01 . 1 . . . . . . . . 5155 1 682 . 1 1 71 71 ASN HB3 H 1 2.874 0.01 . 1 . . . . . . . . 5155 1 683 . 1 1 71 71 ASN HB2 H 1 2.874 0.01 . 1 . . . . . . . . 5155 1 684 . 1 1 72 72 GLN N N 15 117.577 0.01 . 1 . . . . . . . . 5155 1 685 . 1 1 72 72 GLN H H 1 6.910 0.01 . 1 . . . . . . . . 5155 1 686 . 1 1 72 72 GLN CA C 13 56.044 0.01 . 1 . . . . . . . . 5155 1 687 . 1 1 72 72 GLN HA H 1 4.308 0.01 . 1 . . . . . . . . 5155 1 688 . 1 1 72 72 GLN CB C 13 30.475 0.01 . 1 . . . . . . . . 5155 1 689 . 1 1 72 72 GLN HB3 H 1 1.954 0.01 . 1 . . . . . . . . 5155 1 690 . 1 1 72 72 GLN HB2 H 1 1.954 0.01 . 1 . . . . . . . . 5155 1 691 . 1 1 72 72 GLN HG3 H 1 2.367 0.01 . 1 . . . . . . . . 5155 1 692 . 1 1 72 72 GLN HG2 H 1 2.367 0.01 . 1 . . . . . . . . 5155 1 693 . 1 1 73 73 THR N N 15 110.970 0.01 . 1 . . . . . . . . 5155 1 694 . 1 1 73 73 THR H H 1 8.610 0.01 . 1 . . . . . . . . 5155 1 695 . 1 1 73 73 THR CA C 13 60.231 0.01 . 1 . . . . . . . . 5155 1 696 . 1 1 73 73 THR HA H 1 5.000 0.01 . 1 . . . . . . . . 5155 1 697 . 1 1 73 73 THR CB C 13 70.209 0.01 . 1 . . . . . . . . 5155 1 698 . 1 1 73 73 THR HB H 1 4.362 0.01 . 1 . . . . . . . . 5155 1 699 . 1 1 73 73 THR HG21 H 1 1.276 0.01 . 1 . . . . . . . . 5155 1 700 . 1 1 73 73 THR HG22 H 1 1.276 0.01 . 1 . . . . . . . . 5155 1 701 . 1 1 73 73 THR HG23 H 1 1.276 0.01 . 1 . . . . . . . . 5155 1 702 . 1 1 74 74 LEU N N 15 119.559 0.01 . 1 . . . . . . . . 5155 1 703 . 1 1 74 74 LEU H H 1 8.730 0.01 . 1 . . . . . . . . 5155 1 704 . 1 1 74 74 LEU CA C 13 58.004 0.01 . 1 . . . . . . . . 5155 1 705 . 1 1 74 74 LEU HA H 1 3.732 0.01 . 1 . . . . . . . . 5155 1 706 . 1 1 74 74 LEU CB C 13 39.652 0.01 . 1 . . . . . . . . 5155 1 707 . 1 1 74 74 LEU HB3 H 1 1.266 0.01 . 2 . . . . . . . . 5155 1 708 . 1 1 74 74 LEU HB2 H 1 1.115 0.01 . 2 . . . . . . . . 5155 1 709 . 1 1 74 74 LEU HG H 1 1.593 0.01 . 1 . . . . . . . . 5155 1 710 . 1 1 74 74 LEU HD11 H 1 0.420 0.01 . 2 . . . . . . . . 5155 1 711 . 1 1 74 74 LEU HD12 H 1 0.420 0.01 . 2 . . . . . . . . 5155 1 712 . 1 1 74 74 LEU HD13 H 1 0.420 0.01 . 2 . . . . . . . . 5155 1 713 . 1 1 74 74 LEU HD21 H 1 0.574 0.01 . 2 . . . . . . . . 5155 1 714 . 1 1 74 74 LEU HD22 H 1 0.574 0.01 . 2 . . . . . . . . 5155 1 715 . 1 1 74 74 LEU HD23 H 1 0.574 0.01 . 2 . . . . . . . . 5155 1 716 . 1 1 75 75 LYS N N 15 115.815 0.01 . 1 . . . . . . . . 5155 1 717 . 1 1 75 75 LYS H H 1 7.720 0.01 . 1 . . . . . . . . 5155 1 718 . 1 1 75 75 LYS CA C 13 58.716 0.01 . 1 . . . . . . . . 5155 1 719 . 1 1 75 75 LYS HA H 1 3.818 0.01 . 1 . . . . . . . . 5155 1 720 . 1 1 75 75 LYS CB C 13 32.614 0.01 . 1 . . . . . . . . 5155 1 721 . 1 1 75 75 LYS HB3 H 1 1.794 0.01 . 2 . . . . . . . . 5155 1 722 . 1 1 75 75 LYS HB2 H 1 1.667 0.01 . 2 . . . . . . . . 5155 1 723 . 1 1 75 75 LYS HG3 H 1 1.433 0.01 . 2 . . . . . . . . 5155 1 724 . 1 1 75 75 LYS HG2 H 1 1.348 0.01 . 2 . . . . . . . . 5155 1 725 . 1 1 75 75 LYS HE3 H 1 2.969 0.01 . 1 . . . . . . . . 5155 1 726 . 1 1 75 75 LYS HE2 H 1 2.969 0.01 . 1 . . . . . . . . 5155 1 727 . 1 1 76 76 GLU N N 15 122.642 0.01 . 1 . . . . . . . . 5155 1 728 . 1 1 76 76 GLU H H 1 8.110 0.01 . 1 . . . . . . . . 5155 1 729 . 1 1 76 76 GLU CA C 13 58.360 0.01 . 1 . . . . . . . . 5155 1 730 . 1 1 76 76 GLU HA H 1 3.922 0.01 . 1 . . . . . . . . 5155 1 731 . 1 1 76 76 GLU CB C 13 29.050 0.01 . 1 . . . . . . . . 5155 1 732 . 1 1 76 76 GLU HB3 H 1 2.258 0.01 . 2 . . . . . . . . 5155 1 733 . 1 1 76 76 GLU HB2 H 1 1.956 0.01 . 2 . . . . . . . . 5155 1 734 . 1 1 76 76 GLU HG3 H 1 2.352 0.01 . 1 . . . . . . . . 5155 1 735 . 1 1 76 76 GLU HG2 H 1 2.352 0.01 . 1 . . . . . . . . 5155 1 736 . 1 1 77 77 ALA N N 15 118.678 0.01 . 1 . . . . . . . . 5155 1 737 . 1 1 77 77 ALA H H 1 8.070 0.01 . 1 . . . . . . . . 5155 1 738 . 1 1 77 77 ALA CA C 13 51.233 0.01 . 1 . . . . . . . . 5155 1 739 . 1 1 77 77 ALA HA H 1 4.283 0.01 . 1 . . . . . . . . 5155 1 740 . 1 1 77 77 ALA CB C 13 18.805 0.01 . 1 . . . . . . . . 5155 1 741 . 1 1 77 77 ALA HB1 H 1 1.291 0.01 . 1 . . . . . . . . 5155 1 742 . 1 1 77 77 ALA HB2 H 1 1.291 0.01 . 1 . . . . . . . . 5155 1 743 . 1 1 77 77 ALA HB3 H 1 1.291 0.01 . 1 . . . . . . . . 5155 1 744 . 1 1 78 78 ASN N N 15 115.595 0.01 . 1 . . . . . . . . 5155 1 745 . 1 1 78 78 ASN H H 1 7.780 0.01 . 1 . . . . . . . . 5155 1 746 . 1 1 78 78 ASN CA C 13 53.638 0.01 . 1 . . . . . . . . 5155 1 747 . 1 1 78 78 ASN HA H 1 4.339 0.01 . 1 . . . . . . . . 5155 1 748 . 1 1 78 78 ASN CB C 13 36.088 0.01 . 1 . . . . . . . . 5155 1 749 . 1 1 78 78 ASN HB3 H 1 3.196 0.01 . 2 . . . . . . . . 5155 1 750 . 1 1 78 78 ASN HB2 H 1 2.717 0.01 . 2 . . . . . . . . 5155 1 751 . 1 1 79 79 LEU N N 15 118.238 0.01 . 1 . . . . . . . . 5155 1 752 . 1 1 79 79 LEU H H 1 8.320 0.01 . 1 . . . . . . . . 5155 1 753 . 1 1 79 79 LEU CA C 13 52.837 0.01 . 1 . . . . . . . . 5155 1 754 . 1 1 79 79 LEU HA H 1 4.435 0.01 . 1 . . . . . . . . 5155 1 755 . 1 1 79 79 LEU CB C 13 41.344 0.01 . 1 . . . . . . . . 5155 1 756 . 1 1 79 79 LEU HB3 H 1 1.554 0.01 . 1 . . . . . . . . 5155 1 757 . 1 1 79 79 LEU HB2 H 1 1.554 0.01 . 1 . . . . . . . . 5155 1 758 . 1 1 79 79 LEU HG H 1 1.776 0.01 . 1 . . . . . . . . 5155 1 759 . 1 1 79 79 LEU HD11 H 1 1.264 0.01 . 1 . . . . . . . . 5155 1 760 . 1 1 79 79 LEU HD12 H 1 1.264 0.01 . 1 . . . . . . . . 5155 1 761 . 1 1 79 79 LEU HD13 H 1 1.264 0.01 . 1 . . . . . . . . 5155 1 762 . 1 1 79 79 LEU HD21 H 1 1.264 0.01 . 1 . . . . . . . . 5155 1 763 . 1 1 79 79 LEU HD22 H 1 1.264 0.01 . 1 . . . . . . . . 5155 1 764 . 1 1 79 79 LEU HD23 H 1 1.264 0.01 . 1 . . . . . . . . 5155 1 765 . 1 1 80 80 LEU N N 15 117.357 0.01 . 1 . . . . . . . . 5155 1 766 . 1 1 80 80 LEU H H 1 7.250 0.01 . 1 . . . . . . . . 5155 1 767 . 1 1 80 80 LEU CA C 13 55.420 0.01 . 1 . . . . . . . . 5155 1 768 . 1 1 80 80 LEU HA H 1 4.005 0.01 . 1 . . . . . . . . 5155 1 769 . 1 1 80 80 LEU CB C 13 38.493 0.01 . 1 . . . . . . . . 5155 1 770 . 1 1 80 80 LEU HB3 H 1 1.434 0.01 . 1 . . . . . . . . 5155 1 771 . 1 1 80 80 LEU HB2 H 1 1.434 0.01 . 1 . . . . . . . . 5155 1 772 . 1 1 80 80 LEU HG H 1 1.162 0.01 . 1 . . . . . . . . 5155 1 773 . 1 1 80 80 LEU HD11 H 1 0.133 0.01 . 2 . . . . . . . . 5155 1 774 . 1 1 80 80 LEU HD12 H 1 0.133 0.01 . 2 . . . . . . . . 5155 1 775 . 1 1 80 80 LEU HD13 H 1 0.133 0.01 . 2 . . . . . . . . 5155 1 776 . 1 1 80 80 LEU HD21 H 1 0.567 0.01 . 2 . . . . . . . . 5155 1 777 . 1 1 80 80 LEU HD22 H 1 0.567 0.01 . 2 . . . . . . . . 5155 1 778 . 1 1 80 80 LEU HD23 H 1 0.567 0.01 . 2 . . . . . . . . 5155 1 779 . 1 1 81 81 ASN N N 15 120.440 0.01 . 1 . . . . . . . . 5155 1 780 . 1 1 81 81 ASN H H 1 8.540 0.01 . 1 . . . . . . . . 5155 1 781 . 1 1 81 81 ASN CA C 13 53.549 0.01 . 1 . . . . . . . . 5155 1 782 . 1 1 81 81 ASN HA H 1 4.948 0.01 . 1 . . . . . . . . 5155 1 783 . 1 1 81 81 ASN CB C 13 37.335 0.01 . 1 . . . . . . . . 5155 1 784 . 1 1 81 81 ASN HB3 H 1 3.071 0.01 . 2 . . . . . . . . 5155 1 785 . 1 1 81 81 ASN HB2 H 1 2.759 0.01 . 2 . . . . . . . . 5155 1 786 . 1 1 82 82 ALA N N 15 119.999 0.01 . 1 . . . . . . . . 5155 1 787 . 1 1 82 82 ALA H H 1 7.090 0.01 . 1 . . . . . . . . 5155 1 788 . 1 1 82 82 ALA CA C 13 51.678 0.01 . 1 . . . . . . . . 5155 1 789 . 1 1 82 82 ALA HA H 1 4.457 0.01 . 1 . . . . . . . . 5155 1 790 . 1 1 82 82 ALA CB C 13 21.388 0.01 . 1 . . . . . . . . 5155 1 791 . 1 1 82 82 ALA HB1 H 1 1.268 0.01 . 1 . . . . . . . . 5155 1 792 . 1 1 82 82 ALA HB2 H 1 1.268 0.01 . 1 . . . . . . . . 5155 1 793 . 1 1 82 82 ALA HB3 H 1 1.268 0.01 . 1 . . . . . . . . 5155 1 794 . 1 1 83 83 VAL N N 15 119.559 0.01 . 1 . . . . . . . . 5155 1 795 . 1 1 83 83 VAL H H 1 7.900 0.01 . 1 . . . . . . . . 5155 1 796 . 1 1 83 83 VAL CA C 13 60.855 0.01 . 1 . . . . . . . . 5155 1 797 . 1 1 83 83 VAL HA H 1 4.768 0.01 . 1 . . . . . . . . 5155 1 798 . 1 1 83 83 VAL CB C 13 31.544 0.01 . 1 . . . . . . . . 5155 1 799 . 1 1 83 83 VAL HB H 1 1.964 0.01 . 1 . . . . . . . . 5155 1 800 . 1 1 83 83 VAL HG21 H 1 0.929 0.01 . 2 . . . . . . . . 5155 1 801 . 1 1 83 83 VAL HG22 H 1 0.929 0.01 . 2 . . . . . . . . 5155 1 802 . 1 1 83 83 VAL HG23 H 1 0.929 0.01 . 2 . . . . . . . . 5155 1 803 . 1 1 83 83 VAL HG11 H 1 0.725 0.01 . 2 . . . . . . . . 5155 1 804 . 1 1 83 83 VAL HG12 H 1 0.725 0.01 . 2 . . . . . . . . 5155 1 805 . 1 1 83 83 VAL HG13 H 1 0.725 0.01 . 2 . . . . . . . . 5155 1 806 . 1 1 84 84 ILE N N 15 127.927 0.01 . 1 . . . . . . . . 5155 1 807 . 1 1 84 84 ILE H H 1 9.184 0.01 . 1 . . . . . . . . 5155 1 808 . 1 1 84 84 ILE CA C 13 57.915 0.01 . 1 . . . . . . . . 5155 1 809 . 1 1 84 84 ILE HA H 1 4.761 0.01 . 1 . . . . . . . . 5155 1 810 . 1 1 84 84 ILE CB C 13 39.295 0.01 . 1 . . . . . . . . 5155 1 811 . 1 1 84 84 ILE HB H 1 1.750 0.01 . 1 . . . . . . . . 5155 1 812 . 1 1 84 84 ILE HG13 H 1 1.179 0.01 . 2 . . . . . . . . 5155 1 813 . 1 1 84 84 ILE HG12 H 1 1.136 0.01 . 2 . . . . . . . . 5155 1 814 . 1 1 84 84 ILE HG21 H 1 0.840 0.01 . 1 . . . . . . . . 5155 1 815 . 1 1 84 84 ILE HG22 H 1 0.840 0.01 . 1 . . . . . . . . 5155 1 816 . 1 1 84 84 ILE HG23 H 1 0.840 0.01 . 1 . . . . . . . . 5155 1 817 . 1 1 85 85 VAL N N 15 126.166 0.01 . 1 . . . . . . . . 5155 1 818 . 1 1 85 85 VAL H H 1 9.301 0.01 . 1 . . . . . . . . 5155 1 819 . 1 1 85 85 VAL CA C 13 60.142 0.01 . 1 . . . . . . . . 5155 1 820 . 1 1 85 85 VAL HA H 1 4.607 0.01 . 1 . . . . . . . . 5155 1 821 . 1 1 85 85 VAL CB C 13 34.217 0.01 . 1 . . . . . . . . 5155 1 822 . 1 1 85 85 VAL HB H 1 1.727 0.01 . 1 . . . . . . . . 5155 1 823 . 1 1 85 85 VAL HG21 H 1 0.806 0.01 . 1 . . . . . . . . 5155 1 824 . 1 1 85 85 VAL HG22 H 1 0.806 0.01 . 1 . . . . . . . . 5155 1 825 . 1 1 85 85 VAL HG23 H 1 0.806 0.01 . 1 . . . . . . . . 5155 1 826 . 1 1 85 85 VAL HG11 H 1 0.806 0.01 . 1 . . . . . . . . 5155 1 827 . 1 1 85 85 VAL HG12 H 1 0.806 0.01 . 1 . . . . . . . . 5155 1 828 . 1 1 85 85 VAL HG13 H 1 0.806 0.01 . 1 . . . . . . . . 5155 1 829 . 1 1 86 86 GLN N N 15 126.606 0.01 . 1 . . . . . . . . 5155 1 830 . 1 1 86 86 GLN H H 1 8.270 0.01 . 1 . . . . . . . . 5155 1 831 . 1 1 86 86 GLN CA C 13 54.084 0.01 . 1 . . . . . . . . 5155 1 832 . 1 1 86 86 GLN HA H 1 4.702 0.01 . 1 . . . . . . . . 5155 1 833 . 1 1 86 86 GLN CB C 13 29.674 0.01 . 1 . . . . . . . . 5155 1 834 . 1 1 86 86 GLN HB3 H 1 1.245 0.01 . 1 . . . . . . . . 5155 1 835 . 1 1 86 86 GLN HB2 H 1 1.245 0.01 . 1 . . . . . . . . 5155 1 836 . 1 1 86 86 GLN HG3 H 1 2.344 0.01 . 1 . . . . . . . . 5155 1 837 . 1 1 86 86 GLN HG2 H 1 2.344 0.01 . 1 . . . . . . . . 5155 1 838 . 1 1 87 87 ARG N N 15 130.790 0.01 . 1 . . . . . . . . 5155 1 839 . 1 1 87 87 ARG H H 1 9.070 0.01 . 1 . . . . . . . . 5155 1 840 . 1 1 87 87 ARG CA C 13 53.906 0.01 . 1 . . . . . . . . 5155 1 841 . 1 1 87 87 ARG HA H 1 4.713 0.01 . 1 . . . . . . . . 5155 1 842 . 1 1 87 87 ARG CB C 13 32.524 0.01 . 1 . . . . . . . . 5155 1 843 . 1 1 87 87 ARG HB3 H 1 1.734 0.01 . 2 . . . . . . . . 5155 1 844 . 1 1 87 87 ARG HB2 H 1 1.443 0.01 . 2 . . . . . . . . 5155 1 845 . 1 1 88 88 LEU N N 15 127.267 0.01 . 1 . . . . . . . . 5155 1 846 . 1 1 88 88 LEU H H 1 8.820 0.01 . 1 . . . . . . . . 5155 1 847 . 1 1 88 88 LEU CA C 13 55.420 0.01 . 1 . . . . . . . . 5155 1 848 . 1 1 88 88 LEU HA H 1 4.628 0.01 . 1 . . . . . . . . 5155 1 849 . 1 1 88 88 LEU CB C 13 39.919 0.01 . 1 . . . . . . . . 5155 1 850 . 1 1 88 88 LEU HB3 H 1 1.780 0.01 . 1 . . . . . . . . 5155 1 851 . 1 1 88 88 LEU HB2 H 1 1.780 0.01 . 1 . . . . . . . . 5155 1 852 . 1 1 88 88 LEU HG H 1 1.613 0.01 . 1 . . . . . . . . 5155 1 853 . 1 1 88 88 LEU HD11 H 1 0.749 0.01 . 1 . . . . . . . . 5155 1 854 . 1 1 88 88 LEU HD12 H 1 0.749 0.01 . 1 . . . . . . . . 5155 1 855 . 1 1 88 88 LEU HD13 H 1 0.749 0.01 . 1 . . . . . . . . 5155 1 856 . 1 1 88 88 LEU HD21 H 1 0.749 0.01 . 1 . . . . . . . . 5155 1 857 . 1 1 88 88 LEU HD22 H 1 0.749 0.01 . 1 . . . . . . . . 5155 1 858 . 1 1 88 88 LEU HD23 H 1 0.749 0.01 . 1 . . . . . . . . 5155 1 859 . 1 1 89 89 THR N N 15 120.220 0.01 . 1 . . . . . . . . 5155 1 860 . 1 1 89 89 THR H H 1 7.810 0.01 . 1 . . . . . . . . 5155 1 861 . 1 1 89 89 THR CA C 13 61.478 0.01 . 1 . . . . . . . . 5155 1 862 . 1 1 89 89 THR HA H 1 4.613 0.01 . 1 . . . . . . . . 5155 1 863 . 1 1 89 89 THR CB C 13 69.496 0.01 . 1 . . . . . . . . 5155 1 864 . 1 1 89 89 THR HB H 1 4.217 0.01 . 1 . . . . . . . . 5155 1 865 . 1 1 89 89 THR HG21 H 1 1.049 0.01 . 1 . . . . . . . . 5155 1 866 . 1 1 89 89 THR HG22 H 1 1.049 0.01 . 1 . . . . . . . . 5155 1 867 . 1 1 89 89 THR HG23 H 1 1.049 0.01 . 1 . . . . . . . . 5155 1 stop_ save_