data_6396 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6396 _Entry.Title ; Chemical shift Assignment for mouse Roadblock/LC7 domain BC029172 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-11-22 _Entry.Accession_date 2004-11-22 _Entry.Last_release_date 2007-01-29 _Entry.Original_release_date 2007-01-29 _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 Jikui Song . . . 6396 2 Dmitriy Vinarov . A. . 6396 3 Ejan Tyler . M. . 6396 4 Mark Shahan . N. . 6396 5 Carrie 'Loushin Newman' . . . 6396 6 Robert Tyler . C. . 6396 7 Min Lee . S. . 6396 8 John Markley . L. . 6396 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6396 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 399 6396 '1H chemical shifts' 643 6396 '15N chemical shifts' 108 6396 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 . . 2007-01-29 2004-11-19 original author . 6396 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6396 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16289575 _Citation.Full_citation . _Citation.Title ; Solution structure of isoform 1 of Roadblock/LC7, a light chain in the dynein complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 354 _Citation.Journal_issue 5 _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 1043 _Citation.Page_last 1051 _Citation.Year 2005 _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 Jikui Song . . . 6396 1 2 Robert Tyler . C. . 6396 1 3 Min Lee . S. . 6396 1 4 Ejan Tyler . M. . 6396 1 5 John Markley . L. . 6396 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6396 _Assembly.ID 1 _Assembly.Name BC029172 _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 6396 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 BC029172 1 $Roadblock-LC_domain . . . native . . . . . 6396 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID BC029172 system 6396 1 BC029172 abbreviation 6396 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Roadblock-LC_domain _Entity.Sf_category entity _Entity.Sf_framecode Roadblock-LC_domain _Entity.Entry_ID 6396 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BC029172 _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 ; GHHHHHHLEAEVEETLKRLQ SQKGVQGIIVVNTEGIPIKS TMDNPTTTQYANLMHNFILK ARSTVREIDPQNDLTFLRIR SKKNEIMVAPDKDYFLIVIQ NPTE ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 1Y4O . "Solution Structure Of A Mouse Cytoplasmic RoadblockLC7 Dynein Light Chain" . . . . . 100.00 104 100.00 100.00 1.76e-69 . . . . 6396 1 2 no DBJ BAB22038 . "unnamed protein product [Mus musculus]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 3 no DBJ BAB22788 . "unnamed protein product [Mus musculus]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 4 no DBJ BAB25768 . "unnamed protein product [Mus musculus]" . . . . . 91.35 96 98.95 100.00 2.89e-61 . . . . 6396 1 5 no DBJ BAE38944 . "unnamed protein product [Mus musculus]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 6 no GB AAC25580 . "bithoraxoid-like protein [Rattus norvegicus]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 7 no GB AAH58437 . "Dynein light chain roadblock-type 1 [Rattus norvegicus]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 8 no GB AAH99423 . "Dynein light chain roadblock-type 1 [Mus musculus]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 9 no GB AAI02139 . "Dynein light chain roadblock-type 1 [Bos taurus]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 10 no GB AAI25611 . "Dynein light chain roadblock-type 1 [Mus musculus]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 11 no REF NP_001029614 . "dynein light chain roadblock-type 1 [Bos taurus]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 12 no REF NP_001177109 . "dynein light chain roadblock-type 1 [Sus scrofa]" . . . . . 91.35 96 98.95 100.00 3.33e-61 . . . . 6396 1 13 no REF NP_001239348 . "dynein light chain roadblock-type 1 [Canis lupus familiaris]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 14 no REF NP_001278037 . "dynein light chain roadblock-type 1 isoform a [Mus musculus]" . . . . . 93.27 104 98.97 98.97 2.69e-62 . . . . 6396 1 15 no REF NP_080223 . "dynein light chain roadblock-type 1 isoform b [Mus musculus]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 16 no SP P62627 . "RecName: Full=Dynein light chain roadblock-type 1; AltName: Full=Dynein light chain 2A, cytoplasmic [Mus musculus]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 17 no SP P62628 . "RecName: Full=Dynein light chain roadblock-type 1; AltName: Full=Bithoraxoid-like protein; Short=BLP; Short=robl/LC7-like prote" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 18 no SP Q3T140 . "RecName: Full=Dynein light chain roadblock-type 1; AltName: Full=Dynein light chain 2A, cytoplasmic [Bos taurus]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 19 no TPG DAA23215 . "TPA: dynein light chain roadblock-type 1 [Bos taurus]" . . . . . 91.35 96 100.00 100.00 7.47e-62 . . . . 6396 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BC029172 common 6396 1 BC029172 abbreviation 6396 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 6396 1 2 . HIS . 6396 1 3 . HIS . 6396 1 4 . HIS . 6396 1 5 . HIS . 6396 1 6 . HIS . 6396 1 7 . HIS . 6396 1 8 . LEU . 6396 1 9 . GLU . 6396 1 10 . ALA . 6396 1 11 . GLU . 6396 1 12 . VAL . 6396 1 13 . GLU . 6396 1 14 . GLU . 6396 1 15 . THR . 6396 1 16 . LEU . 6396 1 17 . LYS . 6396 1 18 . ARG . 6396 1 19 . LEU . 6396 1 20 . GLN . 6396 1 21 . SER . 6396 1 22 . GLN . 6396 1 23 . LYS . 6396 1 24 . GLY . 6396 1 25 . VAL . 6396 1 26 . GLN . 6396 1 27 . GLY . 6396 1 28 . ILE . 6396 1 29 . ILE . 6396 1 30 . VAL . 6396 1 31 . VAL . 6396 1 32 . ASN . 6396 1 33 . THR . 6396 1 34 . GLU . 6396 1 35 . GLY . 6396 1 36 . ILE . 6396 1 37 . PRO . 6396 1 38 . ILE . 6396 1 39 . LYS . 6396 1 40 . SER . 6396 1 41 . THR . 6396 1 42 . MET . 6396 1 43 . ASP . 6396 1 44 . ASN . 6396 1 45 . PRO . 6396 1 46 . THR . 6396 1 47 . THR . 6396 1 48 . THR . 6396 1 49 . GLN . 6396 1 50 . TYR . 6396 1 51 . ALA . 6396 1 52 . ASN . 6396 1 53 . LEU . 6396 1 54 . MET . 6396 1 55 . HIS . 6396 1 56 . ASN . 6396 1 57 . PHE . 6396 1 58 . ILE . 6396 1 59 . LEU . 6396 1 60 . LYS . 6396 1 61 . ALA . 6396 1 62 . ARG . 6396 1 63 . SER . 6396 1 64 . THR . 6396 1 65 . VAL . 6396 1 66 . ARG . 6396 1 67 . GLU . 6396 1 68 . ILE . 6396 1 69 . ASP . 6396 1 70 . PRO . 6396 1 71 . GLN . 6396 1 72 . ASN . 6396 1 73 . ASP . 6396 1 74 . LEU . 6396 1 75 . THR . 6396 1 76 . PHE . 6396 1 77 . LEU . 6396 1 78 . ARG . 6396 1 79 . ILE . 6396 1 80 . ARG . 6396 1 81 . SER . 6396 1 82 . LYS . 6396 1 83 . LYS . 6396 1 84 . ASN . 6396 1 85 . GLU . 6396 1 86 . ILE . 6396 1 87 . MET . 6396 1 88 . VAL . 6396 1 89 . ALA . 6396 1 90 . PRO . 6396 1 91 . ASP . 6396 1 92 . LYS . 6396 1 93 . ASP . 6396 1 94 . TYR . 6396 1 95 . PHE . 6396 1 96 . LEU . 6396 1 97 . ILE . 6396 1 98 . VAL . 6396 1 99 . ILE . 6396 1 100 . GLN . 6396 1 101 . ASN . 6396 1 102 . PRO . 6396 1 103 . THR . 6396 1 104 . GLU . 6396 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6396 1 . HIS 2 2 6396 1 . HIS 3 3 6396 1 . HIS 4 4 6396 1 . HIS 5 5 6396 1 . HIS 6 6 6396 1 . HIS 7 7 6396 1 . LEU 8 8 6396 1 . GLU 9 9 6396 1 . ALA 10 10 6396 1 . GLU 11 11 6396 1 . VAL 12 12 6396 1 . GLU 13 13 6396 1 . GLU 14 14 6396 1 . THR 15 15 6396 1 . LEU 16 16 6396 1 . LYS 17 17 6396 1 . ARG 18 18 6396 1 . LEU 19 19 6396 1 . GLN 20 20 6396 1 . SER 21 21 6396 1 . GLN 22 22 6396 1 . LYS 23 23 6396 1 . GLY 24 24 6396 1 . VAL 25 25 6396 1 . GLN 26 26 6396 1 . GLY 27 27 6396 1 . ILE 28 28 6396 1 . ILE 29 29 6396 1 . VAL 30 30 6396 1 . VAL 31 31 6396 1 . ASN 32 32 6396 1 . THR 33 33 6396 1 . GLU 34 34 6396 1 . GLY 35 35 6396 1 . ILE 36 36 6396 1 . PRO 37 37 6396 1 . ILE 38 38 6396 1 . LYS 39 39 6396 1 . SER 40 40 6396 1 . THR 41 41 6396 1 . MET 42 42 6396 1 . ASP 43 43 6396 1 . ASN 44 44 6396 1 . PRO 45 45 6396 1 . THR 46 46 6396 1 . THR 47 47 6396 1 . THR 48 48 6396 1 . GLN 49 49 6396 1 . TYR 50 50 6396 1 . ALA 51 51 6396 1 . ASN 52 52 6396 1 . LEU 53 53 6396 1 . MET 54 54 6396 1 . HIS 55 55 6396 1 . ASN 56 56 6396 1 . PHE 57 57 6396 1 . ILE 58 58 6396 1 . LEU 59 59 6396 1 . LYS 60 60 6396 1 . ALA 61 61 6396 1 . ARG 62 62 6396 1 . SER 63 63 6396 1 . THR 64 64 6396 1 . VAL 65 65 6396 1 . ARG 66 66 6396 1 . GLU 67 67 6396 1 . ILE 68 68 6396 1 . ASP 69 69 6396 1 . PRO 70 70 6396 1 . GLN 71 71 6396 1 . ASN 72 72 6396 1 . ASP 73 73 6396 1 . LEU 74 74 6396 1 . THR 75 75 6396 1 . PHE 76 76 6396 1 . LEU 77 77 6396 1 . ARG 78 78 6396 1 . ILE 79 79 6396 1 . ARG 80 80 6396 1 . SER 81 81 6396 1 . LYS 82 82 6396 1 . LYS 83 83 6396 1 . ASN 84 84 6396 1 . GLU 85 85 6396 1 . ILE 86 86 6396 1 . MET 87 87 6396 1 . VAL 88 88 6396 1 . ALA 89 89 6396 1 . PRO 90 90 6396 1 . ASP 91 91 6396 1 . LYS 92 92 6396 1 . ASP 93 93 6396 1 . TYR 94 94 6396 1 . PHE 95 95 6396 1 . LEU 96 96 6396 1 . ILE 97 97 6396 1 . VAL 98 98 6396 1 . ILE 99 99 6396 1 . GLN 100 100 6396 1 . ASN 101 101 6396 1 . PRO 102 102 6396 1 . THR 103 103 6396 1 . GLU 104 104 6396 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 6396 _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 $Roadblock-LC_domain . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6396 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 6396 _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 $Roadblock-LC_domain . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6396 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6396 _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 BC029172 '[U-15N; U-13C]' . . 1 $Roadblock-LC_domain . . 1 . . mM . . . . 6396 1 2 'Sodium Chloride' . . . . . . . 100 . . mM . . . . 6396 1 3 'Sodium Acetate' . . . . . . . 10 . . mM . . . . 6396 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6396 _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 5.0 0.1 pH 6396 1 temperature 298 0.2 K 6396 1 pressure 1 0.05 atm 6396 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6396 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6396 _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 600MHz_spectrometer Varian Inova . 600 . . . 6396 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 6396 _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 '3D 15N-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6396 1 2 '3D 13C-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6396 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 6396 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 6396 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6396 _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 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6396 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6396 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6396 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6396 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 . 6396 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 6 6 HIS CA C 13 55.502 0.15 . 1 . . . . . . . . 6396 1 2 . 1 1 6 6 HIS CB C 13 29.681 0.15 . 1 . . . . . . . . 6396 1 3 . 1 1 7 7 HIS C C 13 174.433 0.15 . 1 . . . . . . . . 6396 1 4 . 1 1 7 7 HIS CA C 13 55.572 0.15 . 1 . . . . . . . . 6396 1 5 . 1 1 7 7 HIS CB C 13 29.441 0.15 . 1 . . . . . . . . 6396 1 6 . 1 1 7 7 HIS HA H 1 4.699 0.05 . 2 . . . . . . . . 6396 1 7 . 1 1 7 7 HIS HB2 H 1 3.241 0.05 . 2 . . . . . . . . 6396 1 8 . 1 1 7 7 HIS H H 1 8.697 0.05 . 1 . . . . . . . . 6396 1 9 . 1 1 7 7 HIS N N 15 120.735 0.15 . 1 . . . . . . . . 6396 1 10 . 1 1 8 8 LEU C C 13 176.775 0.15 . 1 . . . . . . . . 6396 1 11 . 1 1 8 8 LEU CA C 13 55.722 0.15 . 1 . . . . . . . . 6396 1 12 . 1 1 8 8 LEU CB C 13 42.605 0.15 . 1 . . . . . . . . 6396 1 13 . 1 1 8 8 LEU CD1 C 13 24.649 0.15 . 1 . . . . . . . . 6396 1 14 . 1 1 8 8 LEU HA H 1 4.259 0.05 . 2 . . . . . . . . 6396 1 15 . 1 1 8 8 LEU HB2 H 1 1.574 0.05 . 2 . . . . . . . . 6396 1 16 . 1 1 8 8 LEU H H 1 8.657 0.05 . 1 . . . . . . . . 6396 1 17 . 1 1 8 8 LEU N N 15 124.364 0.15 . 1 . . . . . . . . 6396 1 18 . 1 1 8 8 LEU HD11 H 1 0.705 0.05 . 2 . . . . . . . . 6396 1 19 . 1 1 8 8 LEU HD12 H 1 0.705 0.05 . 2 . . . . . . . . 6396 1 20 . 1 1 8 8 LEU HD13 H 1 0.705 0.05 . 2 . . . . . . . . 6396 1 21 . 1 1 9 9 GLU C C 13 177.691 0.15 . 1 . . . . . . . . 6396 1 22 . 1 1 9 9 GLU CA C 13 58.572 0.15 . 1 . . . . . . . . 6396 1 23 . 1 1 9 9 GLU CB C 13 29.383 0.15 . 1 . . . . . . . . 6396 1 24 . 1 1 9 9 GLU CG C 13 36.880 0.15 . 1 . . . . . . . . 6396 1 25 . 1 1 9 9 GLU HA H 1 4.101 0.05 . 2 . . . . . . . . 6396 1 26 . 1 1 9 9 GLU HB2 H 1 2.090 0.05 . 2 . . . . . . . . 6396 1 27 . 1 1 9 9 GLU HB3 H 1 2.222 0.05 . 2 . . . . . . . . 6396 1 28 . 1 1 9 9 GLU HG2 H 1 2.516 0.05 . 2 . . . . . . . . 6396 1 29 . 1 1 9 9 GLU H H 1 9.020 0.05 . 1 . . . . . . . . 6396 1 30 . 1 1 9 9 GLU N N 15 121.886 0.15 . 1 . . . . . . . . 6396 1 31 . 1 1 10 10 ALA C C 13 179.926 0.15 . 1 . . . . . . . . 6396 1 32 . 1 1 10 10 ALA CA C 13 55.226 0.15 . 1 . . . . . . . . 6396 1 33 . 1 1 10 10 ALA CB C 13 18.512 0.15 . 1 . . . . . . . . 6396 1 34 . 1 1 10 10 ALA HA H 1 4.147 0.05 . 2 . . . . . . . . 6396 1 35 . 1 1 10 10 ALA H H 1 8.493 0.05 . 1 . . . . . . . . 6396 1 36 . 1 1 10 10 ALA N N 15 124.668 0.15 . 1 . . . . . . . . 6396 1 37 . 1 1 10 10 ALA HB1 H 1 1.489 0.05 . 1 . . . . . . . . 6396 1 38 . 1 1 10 10 ALA HB2 H 1 1.489 0.05 . 1 . . . . . . . . 6396 1 39 . 1 1 10 10 ALA HB3 H 1 1.489 0.05 . 1 . . . . . . . . 6396 1 40 . 1 1 11 11 GLU C C 13 179.016 0.15 . 1 . . . . . . . . 6396 1 41 . 1 1 11 11 GLU CA C 13 59.295 0.15 . 1 . . . . . . . . 6396 1 42 . 1 1 11 11 GLU CB C 13 29.197 0.15 . 1 . . . . . . . . 6396 1 43 . 1 1 11 11 GLU CG C 13 35.937 0.15 . 1 . . . . . . . . 6396 1 44 . 1 1 11 11 GLU HA H 1 4.153 0.05 . 2 . . . . . . . . 6396 1 45 . 1 1 11 11 GLU HB2 H 1 2.138 0.05 . 2 . . . . . . . . 6396 1 46 . 1 1 11 11 GLU HG2 H 1 2.214 0.05 . 2 . . . . . . . . 6396 1 47 . 1 1 11 11 GLU HG3 H 1 2.423 0.05 . 2 . . . . . . . . 6396 1 48 . 1 1 11 11 GLU H H 1 8.773 0.05 . 1 . . . . . . . . 6396 1 49 . 1 1 11 11 GLU N N 15 117.492 0.15 . 1 . . . . . . . . 6396 1 50 . 1 1 12 12 VAL C C 13 177.580 0.15 . 1 . . . . . . . . 6396 1 51 . 1 1 12 12 VAL CA C 13 65.550 0.15 . 1 . . . . . . . . 6396 1 52 . 1 1 12 12 VAL CB C 13 31.551 0.15 . 1 . . . . . . . . 6396 1 53 . 1 1 12 12 VAL CG1 C 13 22.429 0.15 . 1 . . . . . . . . 6396 1 54 . 1 1 12 12 VAL CG2 C 13 21.494 0.15 . 1 . . . . . . . . 6396 1 55 . 1 1 12 12 VAL HA H 1 3.755 0.05 . 2 . . . . . . . . 6396 1 56 . 1 1 12 12 VAL HB H 1 2.125 0.05 . 2 . . . . . . . . 6396 1 57 . 1 1 12 12 VAL H H 1 7.687 0.05 . 1 . . . . . . . . 6396 1 58 . 1 1 12 12 VAL N N 15 120.129 0.15 . 1 . . . . . . . . 6396 1 59 . 1 1 12 12 VAL HG11 H 1 0.935 0.05 . 2 . . . . . . . . 6396 1 60 . 1 1 12 12 VAL HG12 H 1 0.935 0.05 . 2 . . . . . . . . 6396 1 61 . 1 1 12 12 VAL HG13 H 1 0.935 0.05 . 2 . . . . . . . . 6396 1 62 . 1 1 12 12 VAL HG21 H 1 0.793 0.05 . 2 . . . . . . . . 6396 1 63 . 1 1 12 12 VAL HG22 H 1 0.793 0.05 . 2 . . . . . . . . 6396 1 64 . 1 1 12 12 VAL HG23 H 1 0.793 0.05 . 2 . . . . . . . . 6396 1 65 . 1 1 13 13 GLU C C 13 179.245 0.15 . 1 . . . . . . . . 6396 1 66 . 1 1 13 13 GLU CA C 13 59.737 0.15 . 1 . . . . . . . . 6396 1 67 . 1 1 13 13 GLU CB C 13 29.102 0.15 . 1 . . . . . . . . 6396 1 68 . 1 1 13 13 GLU CG C 13 35.941 0.15 . 1 . . . . . . . . 6396 1 69 . 1 1 13 13 GLU HA H 1 3.951 0.05 . 2 . . . . . . . . 6396 1 70 . 1 1 13 13 GLU HB2 H 1 2.112 0.05 . 2 . . . . . . . . 6396 1 71 . 1 1 13 13 GLU HG2 H 1 2.208 0.05 . 2 . . . . . . . . 6396 1 72 . 1 1 13 13 GLU HG3 H 1 2.365 0.05 . 2 . . . . . . . . 6396 1 73 . 1 1 13 13 GLU H H 1 7.934 0.05 . 1 . . . . . . . . 6396 1 74 . 1 1 13 13 GLU N N 15 119.599 0.15 . 1 . . . . . . . . 6396 1 75 . 1 1 14 14 GLU C C 13 179.045 0.15 . 1 . . . . . . . . 6396 1 76 . 1 1 14 14 GLU CA C 13 59.325 0.15 . 1 . . . . . . . . 6396 1 77 . 1 1 14 14 GLU CB C 13 29.123 0.15 . 1 . . . . . . . . 6396 1 78 . 1 1 14 14 GLU CG C 13 35.645 0.15 . 1 . . . . . . . . 6396 1 79 . 1 1 14 14 GLU HA H 1 4.063 0.05 . 2 . . . . . . . . 6396 1 80 . 1 1 14 14 GLU HB2 H 1 2.138 0.05 . 2 . . . . . . . . 6396 1 81 . 1 1 14 14 GLU HG2 H 1 2.396 0.05 . 2 . . . . . . . . 6396 1 82 . 1 1 14 14 GLU H H 1 8.233 0.05 . 1 . . . . . . . . 6396 1 83 . 1 1 14 14 GLU N N 15 119.011 0.15 . 1 . . . . . . . . 6396 1 84 . 1 1 15 15 THR C C 13 175.948 0.15 . 1 . . . . . . . . 6396 1 85 . 1 1 15 15 THR CA C 13 67.132 0.15 . 1 . . . . . . . . 6396 1 86 . 1 1 15 15 THR CB C 13 68.394 0.15 . 1 . . . . . . . . 6396 1 87 . 1 1 15 15 THR CG2 C 13 21.858 0.15 . 1 . . . . . . . . 6396 1 88 . 1 1 15 15 THR HA H 1 3.900 0.05 . 2 . . . . . . . . 6396 1 89 . 1 1 15 15 THR HB H 1 4.370 0.05 . 2 . . . . . . . . 6396 1 90 . 1 1 15 15 THR H H 1 7.947 0.05 . 1 . . . . . . . . 6396 1 91 . 1 1 15 15 THR N N 15 119.029 0.15 . 1 . . . . . . . . 6396 1 92 . 1 1 15 15 THR HG21 H 1 1.211 0.05 . 1 . . . . . . . . 6396 1 93 . 1 1 15 15 THR HG22 H 1 1.211 0.05 . 1 . . . . . . . . 6396 1 94 . 1 1 15 15 THR HG23 H 1 1.211 0.05 . 1 . . . . . . . . 6396 1 95 . 1 1 16 16 LEU C C 13 178.510 0.15 . 1 . . . . . . . . 6396 1 96 . 1 1 16 16 LEU CA C 13 59.008 0.15 . 1 . . . . . . . . 6396 1 97 . 1 1 16 16 LEU CB C 13 41.401 0.15 . 1 . . . . . . . . 6396 1 98 . 1 1 16 16 LEU CD1 C 13 25.395 0.15 . 1 . . . . . . . . 6396 1 99 . 1 1 16 16 LEU CD2 C 13 24.150 0.15 . 1 . . . . . . . . 6396 1 100 . 1 1 16 16 LEU CG C 13 27.543 0.15 . 1 . . . . . . . . 6396 1 101 . 1 1 16 16 LEU HA H 1 3.851 0.05 . 2 . . . . . . . . 6396 1 102 . 1 1 16 16 LEU HB2 H 1 1.621 0.05 . 2 . . . . . . . . 6396 1 103 . 1 1 16 16 LEU HB3 H 1 1.740 0.05 . 2 . . . . . . . . 6396 1 104 . 1 1 16 16 LEU HG H 1 1.733 0.05 . 2 . . . . . . . . 6396 1 105 . 1 1 16 16 LEU H H 1 8.350 0.05 . 1 . . . . . . . . 6396 1 106 . 1 1 16 16 LEU N N 15 121.427 0.15 . 1 . . . . . . . . 6396 1 107 . 1 1 16 16 LEU HD11 H 1 0.727 0.05 . 2 . . . . . . . . 6396 1 108 . 1 1 16 16 LEU HD12 H 1 0.727 0.05 . 2 . . . . . . . . 6396 1 109 . 1 1 16 16 LEU HD13 H 1 0.727 0.05 . 2 . . . . . . . . 6396 1 110 . 1 1 16 16 LEU HD21 H 1 0.723 0.05 . 2 . . . . . . . . 6396 1 111 . 1 1 16 16 LEU HD22 H 1 0.723 0.05 . 2 . . . . . . . . 6396 1 112 . 1 1 16 16 LEU HD23 H 1 0.723 0.05 . 2 . . . . . . . . 6396 1 113 . 1 1 17 17 LYS C C 13 179.422 0.15 . 1 . . . . . . . . 6396 1 114 . 1 1 17 17 LYS CA C 13 59.501 0.15 . 1 . . . . . . . . 6396 1 115 . 1 1 17 17 LYS CB C 13 32.450 0.15 . 1 . . . . . . . . 6396 1 116 . 1 1 17 17 LYS CD C 13 29.431 0.15 . 1 . . . . . . . . 6396 1 117 . 1 1 17 17 LYS CG C 13 25.341 0.15 . 1 . . . . . . . . 6396 1 118 . 1 1 17 17 LYS HA H 1 4.032 0.05 . 2 . . . . . . . . 6396 1 119 . 1 1 17 17 LYS HB2 H 1 1.927 0.05 . 2 . . . . . . . . 6396 1 120 . 1 1 17 17 LYS HD2 H 1 1.714 0.05 . 2 . . . . . . . . 6396 1 121 . 1 1 17 17 LYS HE2 H 1 2.972 0.05 . 2 . . . . . . . . 6396 1 122 . 1 1 17 17 LYS HG2 H 1 1.433 0.05 . 2 . . . . . . . . 6396 1 123 . 1 1 17 17 LYS HG3 H 1 1.610 0.05 . 2 . . . . . . . . 6396 1 124 . 1 1 17 17 LYS H H 1 7.934 0.05 . 1 . . . . . . . . 6396 1 125 . 1 1 17 17 LYS N N 15 118.521 0.15 . 1 . . . . . . . . 6396 1 126 . 1 1 18 18 ARG C C 13 179.586 0.15 . 1 . . . . . . . . 6396 1 127 . 1 1 18 18 ARG CA C 13 59.233 0.15 . 1 . . . . . . . . 6396 1 128 . 1 1 18 18 ARG CB C 13 30.145 0.15 . 1 . . . . . . . . 6396 1 129 . 1 1 18 18 ARG CD C 13 43.475 0.15 . 1 . . . . . . . . 6396 1 130 . 1 1 18 18 ARG CG C 13 27.804 0.15 . 1 . . . . . . . . 6396 1 131 . 1 1 18 18 ARG HA H 1 4.127 0.05 . 2 . . . . . . . . 6396 1 132 . 1 1 18 18 ARG HB2 H 1 1.999 0.05 . 2 . . . . . . . . 6396 1 133 . 1 1 18 18 ARG HD2 H 1 3.255 0.05 . 2 . . . . . . . . 6396 1 134 . 1 1 18 18 ARG HE H 1 7.485 0.05 . 2 . . . . . . . . 6396 1 135 . 1 1 18 18 ARG HG2 H 1 1.618 0.05 . 2 . . . . . . . . 6396 1 136 . 1 1 18 18 ARG HG3 H 1 1.799 0.05 . 2 . . . . . . . . 6396 1 137 . 1 1 18 18 ARG H H 1 7.835 0.05 . 1 . . . . . . . . 6396 1 138 . 1 1 18 18 ARG N N 15 119.317 0.15 . 1 . . . . . . . . 6396 1 139 . 1 1 18 18 ARG NE N 15 84.063 0.15 . 1 . . . . . . . . 6396 1 140 . 1 1 19 19 LEU C C 13 178.668 0.15 . 1 . . . . . . . . 6396 1 141 . 1 1 19 19 LEU CA C 13 57.413 0.15 . 1 . . . . . . . . 6396 1 142 . 1 1 19 19 LEU CB C 13 42.884 0.15 . 1 . . . . . . . . 6396 1 143 . 1 1 19 19 LEU CD1 C 13 22.969 0.15 . 1 . . . . . . . . 6396 1 144 . 1 1 19 19 LEU CG C 13 26.722 0.15 . 1 . . . . . . . . 6396 1 145 . 1 1 19 19 LEU HA H 1 4.135 0.05 . 2 . . . . . . . . 6396 1 146 . 1 1 19 19 LEU HB2 H 1 1.377 0.05 . 2 . . . . . . . . 6396 1 147 . 1 1 19 19 LEU HB3 H 1 1.896 0.05 . 2 . . . . . . . . 6396 1 148 . 1 1 19 19 LEU HG H 1 0.862 0.05 . 2 . . . . . . . . 6396 1 149 . 1 1 19 19 LEU H H 1 8.219 0.05 . 1 . . . . . . . . 6396 1 150 . 1 1 19 19 LEU N N 15 120.109 0.15 . 1 . . . . . . . . 6396 1 151 . 1 1 19 19 LEU HD11 H 1 0.875 0.05 . 2 . . . . . . . . 6396 1 152 . 1 1 19 19 LEU HD12 H 1 0.875 0.05 . 2 . . . . . . . . 6396 1 153 . 1 1 19 19 LEU HD13 H 1 0.875 0.05 . 2 . . . . . . . . 6396 1 154 . 1 1 20 20 GLN C C 13 176.435 0.15 . 1 . . . . . . . . 6396 1 155 . 1 1 20 20 GLN CA C 13 58.223 0.15 . 1 . . . . . . . . 6396 1 156 . 1 1 20 20 GLN CB C 13 28.996 0.15 . 1 . . . . . . . . 6396 1 157 . 1 1 20 20 GLN CG C 13 34.591 0.15 . 1 . . . . . . . . 6396 1 158 . 1 1 20 20 GLN HA H 1 3.996 0.05 . 2 . . . . . . . . 6396 1 159 . 1 1 20 20 GLN HB2 H 1 2.163 0.05 . 2 . . . . . . . . 6396 1 160 . 1 1 20 20 GLN HE21 H 1 6.774 0.05 . 2 . . . . . . . . 6396 1 161 . 1 1 20 20 GLN HE22 H 1 7.371 0.05 . 2 . . . . . . . . 6396 1 162 . 1 1 20 20 GLN HG3 H 1 2.437 0.05 . 2 . . . . . . . . 6396 1 163 . 1 1 20 20 GLN H H 1 8.263 0.05 . 1 . . . . . . . . 6396 1 164 . 1 1 20 20 GLN N N 15 116.038 0.15 . 1 . . . . . . . . 6396 1 165 . 1 1 20 20 GLN NE2 N 15 110.496 0.15 . 1 . . . . . . . . 6396 1 166 . 1 1 21 21 SER C C 13 174.205 0.15 . 1 . . . . . . . . 6396 1 167 . 1 1 21 21 SER CA C 13 58.529 0.15 . 1 . . . . . . . . 6396 1 168 . 1 1 21 21 SER CB C 13 64.018 0.15 . 1 . . . . . . . . 6396 1 169 . 1 1 21 21 SER HA H 1 4.523 0.05 . 2 . . . . . . . . 6396 1 170 . 1 1 21 21 SER HB2 H 1 4.015 0.05 . 2 . . . . . . . . 6396 1 171 . 1 1 21 21 SER H H 1 7.491 0.05 . 1 . . . . . . . . 6396 1 172 . 1 1 21 21 SER N N 15 111.765 0.15 . 1 . . . . . . . . 6396 1 173 . 1 1 22 22 GLN C C 13 176.005 0.15 . 1 . . . . . . . . 6396 1 174 . 1 1 22 22 GLN CA C 13 55.853 0.15 . 1 . . . . . . . . 6396 1 175 . 1 1 22 22 GLN CB C 13 29.357 0.15 . 1 . . . . . . . . 6396 1 176 . 1 1 22 22 GLN CG C 13 34.220 0.15 . 1 . . . . . . . . 6396 1 177 . 1 1 22 22 GLN HA H 1 4.301 0.05 . 2 . . . . . . . . 6396 1 178 . 1 1 22 22 GLN HB2 H 1 2.154 0.05 . 2 . . . . . . . . 6396 1 179 . 1 1 22 22 GLN HB3 H 1 2.204 0.05 . 2 . . . . . . . . 6396 1 180 . 1 1 22 22 GLN HE21 H 1 6.841 0.05 . 2 . . . . . . . . 6396 1 181 . 1 1 22 22 GLN HE22 H 1 7.433 0.05 . 2 . . . . . . . . 6396 1 182 . 1 1 22 22 GLN HG2 H 1 2.447 0.05 . 2 . . . . . . . . 6396 1 183 . 1 1 22 22 GLN HG3 H 1 2.530 0.05 . 2 . . . . . . . . 6396 1 184 . 1 1 22 22 GLN H H 1 7.570 0.05 . 1 . . . . . . . . 6396 1 185 . 1 1 22 22 GLN N N 15 122.210 0.15 . 1 . . . . . . . . 6396 1 186 . 1 1 22 22 GLN NE2 N 15 111.656 0.15 . 1 . . . . . . . . 6396 1 187 . 1 1 23 23 LYS C C 13 177.818 0.15 . 1 . . . . . . . . 6396 1 188 . 1 1 23 23 LYS CA C 13 57.645 0.15 . 1 . . . . . . . . 6396 1 189 . 1 1 23 23 LYS CB C 13 32.523 0.15 . 1 . . . . . . . . 6396 1 190 . 1 1 23 23 LYS CD C 13 29.196 0.15 . 1 . . . . . . . . 6396 1 191 . 1 1 23 23 LYS CE C 13 42.138 0.15 . 1 . . . . . . . . 6396 1 192 . 1 1 23 23 LYS CG C 13 24.857 0.15 . 1 . . . . . . . . 6396 1 193 . 1 1 23 23 LYS HA H 1 4.189 0.05 . 2 . . . . . . . . 6396 1 194 . 1 1 23 23 LYS HB2 H 1 1.839 0.05 . 2 . . . . . . . . 6396 1 195 . 1 1 23 23 LYS HD2 H 1 1.735 0.05 . 2 . . . . . . . . 6396 1 196 . 1 1 23 23 LYS HE2 H 1 3.024 0.05 . 2 . . . . . . . . 6396 1 197 . 1 1 23 23 LYS HG2 H 1 1.473 0.05 . 2 . . . . . . . . 6396 1 198 . 1 1 23 23 LYS H H 1 8.597 0.05 . 1 . . . . . . . . 6396 1 199 . 1 1 23 23 LYS N N 15 124.610 0.15 . 1 . . . . . . . . 6396 1 200 . 1 1 24 24 GLY C C 13 174.553 0.15 . 1 . . . . . . . . 6396 1 201 . 1 1 24 24 GLY CA C 13 45.834 0.15 . 1 . . . . . . . . 6396 1 202 . 1 1 24 24 GLY HA2 H 1 4.268 0.05 . 2 . . . . . . . . 6396 1 203 . 1 1 24 24 GLY HA3 H 1 3.834 0.05 . 2 . . . . . . . . 6396 1 204 . 1 1 24 24 GLY H H 1 8.865 0.05 . 1 . . . . . . . . 6396 1 205 . 1 1 24 24 GLY N N 15 111.561 0.15 . 1 . . . . . . . . 6396 1 206 . 1 1 25 25 VAL C C 13 176.306 0.15 . 1 . . . . . . . . 6396 1 207 . 1 1 25 25 VAL CA C 13 64.891 0.15 . 1 . . . . . . . . 6396 1 208 . 1 1 25 25 VAL CB C 13 31.947 0.15 . 1 . . . . . . . . 6396 1 209 . 1 1 25 25 VAL CG1 C 13 22.936 0.15 . 1 . . . . . . . . 6396 1 210 . 1 1 25 25 VAL CG2 C 13 21.694 0.15 . 1 . . . . . . . . 6396 1 211 . 1 1 25 25 VAL HA H 1 3.874 0.05 . 2 . . . . . . . . 6396 1 212 . 1 1 25 25 VAL HB H 1 2.200 0.05 . 2 . . . . . . . . 6396 1 213 . 1 1 25 25 VAL H H 1 7.652 0.05 . 1 . . . . . . . . 6396 1 214 . 1 1 25 25 VAL N N 15 121.043 0.15 . 1 . . . . . . . . 6396 1 215 . 1 1 25 25 VAL HG11 H 1 0.954 0.05 . 2 . . . . . . . . 6396 1 216 . 1 1 25 25 VAL HG12 H 1 0.954 0.05 . 2 . . . . . . . . 6396 1 217 . 1 1 25 25 VAL HG13 H 1 0.954 0.05 . 2 . . . . . . . . 6396 1 218 . 1 1 25 25 VAL HG21 H 1 0.858 0.05 . 2 . . . . . . . . 6396 1 219 . 1 1 25 25 VAL HG22 H 1 0.858 0.05 . 2 . . . . . . . . 6396 1 220 . 1 1 25 25 VAL HG23 H 1 0.858 0.05 . 2 . . . . . . . . 6396 1 221 . 1 1 26 26 GLN C C 13 176.812 0.15 . 1 . . . . . . . . 6396 1 222 . 1 1 26 26 GLN CA C 13 56.175 0.15 . 1 . . . . . . . . 6396 1 223 . 1 1 26 26 GLN CB C 13 29.904 0.15 . 1 . . . . . . . . 6396 1 224 . 1 1 26 26 GLN CG C 13 33.788 0.15 . 1 . . . . . . . . 6396 1 225 . 1 1 26 26 GLN HA H 1 4.429 0.05 . 2 . . . . . . . . 6396 1 226 . 1 1 26 26 GLN HB2 H 1 1.670 0.05 . 2 . . . . . . . . 6396 1 227 . 1 1 26 26 GLN HB3 H 1 2.067 0.05 . 2 . . . . . . . . 6396 1 228 . 1 1 26 26 GLN HE21 H 1 6.801 0.05 . 2 . . . . . . . . 6396 1 229 . 1 1 26 26 GLN HE22 H 1 7.454 0.05 . 2 . . . . . . . . 6396 1 230 . 1 1 26 26 GLN HG3 H 1 2.378 0.05 . 2 . . . . . . . . 6396 1 231 . 1 1 26 26 GLN H H 1 9.622 0.05 . 1 . . . . . . . . 6396 1 232 . 1 1 26 26 GLN N N 15 128.444 0.15 . 1 . . . . . . . . 6396 1 233 . 1 1 26 26 GLN NE2 N 15 110.039 0.15 . 1 . . . . . . . . 6396 1 234 . 1 1 27 27 GLY C C 13 169.783 0.15 . 1 . . . . . . . . 6396 1 235 . 1 1 27 27 GLY CA C 13 45.725 0.15 . 1 . . . . . . . . 6396 1 236 . 1 1 27 27 GLY HA2 H 1 4.049 0.05 . 2 . . . . . . . . 6396 1 237 . 1 1 27 27 GLY H H 1 7.800 0.05 . 1 . . . . . . . . 6396 1 238 . 1 1 27 27 GLY N N 15 106.069 0.15 . 1 . . . . . . . . 6396 1 239 . 1 1 28 28 ILE C C 13 174.107 0.15 . 1 . . . . . . . . 6396 1 240 . 1 1 28 28 ILE CA C 13 60.461 0.15 . 1 . . . . . . . . 6396 1 241 . 1 1 28 28 ILE CB C 13 42.651 0.15 . 1 . . . . . . . . 6396 1 242 . 1 1 28 28 ILE CD1 C 13 16.407 0.15 . 1 . . . . . . . . 6396 1 243 . 1 1 28 28 ILE CG1 C 13 28.386 0.15 . 1 . . . . . . . . 6396 1 244 . 1 1 28 28 ILE CG2 C 13 19.008 0.15 . 1 . . . . . . . . 6396 1 245 . 1 1 28 28 ILE HA H 1 5.186 0.05 . 2 . . . . . . . . 6396 1 246 . 1 1 28 28 ILE HB H 1 1.575 0.05 . 2 . . . . . . . . 6396 1 247 . 1 1 28 28 ILE HG12 H 1 1.051 0.05 . 2 . . . . . . . . 6396 1 248 . 1 1 28 28 ILE HG13 H 1 1.544 0.05 . 2 . . . . . . . . 6396 1 249 . 1 1 28 28 ILE H H 1 8.154 0.05 . 1 . . . . . . . . 6396 1 250 . 1 1 28 28 ILE N N 15 118.945 0.15 . 1 . . . . . . . . 6396 1 251 . 1 1 28 28 ILE HD11 H 1 0.859 0.05 . 1 . . . . . . . . 6396 1 252 . 1 1 28 28 ILE HD12 H 1 0.859 0.05 . 1 . . . . . . . . 6396 1 253 . 1 1 28 28 ILE HD13 H 1 0.859 0.05 . 1 . . . . . . . . 6396 1 254 . 1 1 28 28 ILE HG21 H 1 0.823 0.05 . 1 . . . . . . . . 6396 1 255 . 1 1 28 28 ILE HG22 H 1 0.823 0.05 . 1 . . . . . . . . 6396 1 256 . 1 1 28 28 ILE HG23 H 1 0.823 0.05 . 1 . . . . . . . . 6396 1 257 . 1 1 29 29 ILE C C 13 174.113 0.15 . 1 . . . . . . . . 6396 1 258 . 1 1 29 29 ILE CA C 13 60.617 0.15 . 1 . . . . . . . . 6396 1 259 . 1 1 29 29 ILE CB C 13 42.978 0.15 . 1 . . . . . . . . 6396 1 260 . 1 1 29 29 ILE CD1 C 13 16.456 0.15 . 1 . . . . . . . . 6396 1 261 . 1 1 29 29 ILE CG2 C 13 18.751 0.15 . 1 . . . . . . . . 6396 1 262 . 1 1 29 29 ILE HA H 1 4.697 0.05 . 2 . . . . . . . . 6396 1 263 . 1 1 29 29 ILE HB H 1 1.648 0.05 . 2 . . . . . . . . 6396 1 264 . 1 1 29 29 ILE HG12 H 1 1.491 0.05 . 2 . . . . . . . . 6396 1 265 . 1 1 29 29 ILE HG13 H 1 1.262 0.05 . 2 . . . . . . . . 6396 1 266 . 1 1 29 29 ILE H H 1 9.320 0.05 . 1 . . . . . . . . 6396 1 267 . 1 1 29 29 ILE N N 15 124.853 0.15 . 1 . . . . . . . . 6396 1 268 . 1 1 29 29 ILE HD11 H 1 0.880 0.05 . 1 . . . . . . . . 6396 1 269 . 1 1 29 29 ILE HD12 H 1 0.880 0.05 . 1 . . . . . . . . 6396 1 270 . 1 1 29 29 ILE HD13 H 1 0.880 0.05 . 1 . . . . . . . . 6396 1 271 . 1 1 29 29 ILE HG21 H 1 0.960 0.05 . 1 . . . . . . . . 6396 1 272 . 1 1 29 29 ILE HG22 H 1 0.960 0.05 . 1 . . . . . . . . 6396 1 273 . 1 1 29 29 ILE HG23 H 1 0.960 0.05 . 1 . . . . . . . . 6396 1 274 . 1 1 30 30 VAL C C 13 175.898 0.15 . 1 . . . . . . . . 6396 1 275 . 1 1 30 30 VAL CA C 13 61.190 0.15 . 1 . . . . . . . . 6396 1 276 . 1 1 30 30 VAL CB C 13 33.036 0.15 . 1 . . . . . . . . 6396 1 277 . 1 1 30 30 VAL CG1 C 13 21.375 0.15 . 1 . . . . . . . . 6396 1 278 . 1 1 30 30 VAL CG2 C 13 21.825 0.15 . 1 . . . . . . . . 6396 1 279 . 1 1 30 30 VAL HA H 1 4.928 0.05 . 2 . . . . . . . . 6396 1 280 . 1 1 30 30 VAL HB H 1 1.902 0.05 . 2 . . . . . . . . 6396 1 281 . 1 1 30 30 VAL H H 1 9.075 0.05 . 1 . . . . . . . . 6396 1 282 . 1 1 30 30 VAL N N 15 126.375 0.15 . 1 . . . . . . . . 6396 1 283 . 1 1 30 30 VAL HG11 H 1 0.792 0.05 . 2 . . . . . . . . 6396 1 284 . 1 1 30 30 VAL HG12 H 1 0.792 0.05 . 2 . . . . . . . . 6396 1 285 . 1 1 30 30 VAL HG13 H 1 0.792 0.05 . 2 . . . . . . . . 6396 1 286 . 1 1 30 30 VAL HG21 H 1 0.662 0.05 . 2 . . . . . . . . 6396 1 287 . 1 1 30 30 VAL HG22 H 1 0.662 0.05 . 2 . . . . . . . . 6396 1 288 . 1 1 30 30 VAL HG23 H 1 0.662 0.05 . 2 . . . . . . . . 6396 1 289 . 1 1 31 31 VAL C C 13 175.090 0.15 . 1 . . . . . . . . 6396 1 290 . 1 1 31 31 VAL CA C 13 58.705 0.15 . 1 . . . . . . . . 6396 1 291 . 1 1 31 31 VAL CB C 13 34.864 0.15 . 1 . . . . . . . . 6396 1 292 . 1 1 31 31 VAL CG1 C 13 21.069 0.15 . 1 . . . . . . . . 6396 1 293 . 1 1 31 31 VAL CG2 C 13 21.934 0.15 . 1 . . . . . . . . 6396 1 294 . 1 1 31 31 VAL HA H 1 5.255 0.05 . 2 . . . . . . . . 6396 1 295 . 1 1 31 31 VAL HB H 1 1.662 0.05 . 2 . . . . . . . . 6396 1 296 . 1 1 31 31 VAL H H 1 9.054 0.05 . 1 . . . . . . . . 6396 1 297 . 1 1 31 31 VAL N N 15 122.307 0.15 . 1 . . . . . . . . 6396 1 298 . 1 1 31 31 VAL HG11 H 1 0.985 0.05 . 2 . . . . . . . . 6396 1 299 . 1 1 31 31 VAL HG12 H 1 0.985 0.05 . 2 . . . . . . . . 6396 1 300 . 1 1 31 31 VAL HG13 H 1 0.985 0.05 . 2 . . . . . . . . 6396 1 301 . 1 1 31 31 VAL HG21 H 1 0.835 0.05 . 2 . . . . . . . . 6396 1 302 . 1 1 31 31 VAL HG22 H 1 0.835 0.05 . 2 . . . . . . . . 6396 1 303 . 1 1 31 31 VAL HG23 H 1 0.835 0.05 . 2 . . . . . . . . 6396 1 304 . 1 1 32 32 ASN C C 13 177.189 0.15 . 1 . . . . . . . . 6396 1 305 . 1 1 32 32 ASN CA C 13 51.442 0.15 . 1 . . . . . . . . 6396 1 306 . 1 1 32 32 ASN CB C 13 38.727 0.15 . 1 . . . . . . . . 6396 1 307 . 1 1 32 32 ASN HA H 1 5.218 0.05 . 2 . . . . . . . . 6396 1 308 . 1 1 32 32 ASN HB2 H 1 2.871 0.05 . 2 . . . . . . . . 6396 1 309 . 1 1 32 32 ASN HB3 H 1 4.000 0.05 . 2 . . . . . . . . 6396 1 310 . 1 1 32 32 ASN HD21 H 1 6.724 0.05 . 2 . . . . . . . . 6396 1 311 . 1 1 32 32 ASN HD22 H 1 7.875 0.05 . 2 . . . . . . . . 6396 1 312 . 1 1 32 32 ASN H H 1 8.314 0.05 . 1 . . . . . . . . 6396 1 313 . 1 1 32 32 ASN N N 15 120.297 0.15 . 1 . . . . . . . . 6396 1 314 . 1 1 32 32 ASN ND2 N 15 111.113 0.15 . 1 . . . . . . . . 6396 1 315 . 1 1 33 33 THR C C 13 175.484 0.15 . 1 . . . . . . . . 6396 1 316 . 1 1 33 33 THR CA C 13 65.875 0.15 . 1 . . . . . . . . 6396 1 317 . 1 1 33 33 THR CB C 13 68.800 0.15 . 1 . . . . . . . . 6396 1 318 . 1 1 33 33 THR CG2 C 13 22.165 0.15 . 1 . . . . . . . . 6396 1 319 . 1 1 33 33 THR HA H 1 4.114 0.05 . 2 . . . . . . . . 6396 1 320 . 1 1 33 33 THR HB H 1 4.410 0.05 . 2 . . . . . . . . 6396 1 321 . 1 1 33 33 THR H H 1 8.195 0.05 . 1 . . . . . . . . 6396 1 322 . 1 1 33 33 THR N N 15 111.066 0.15 . 1 . . . . . . . . 6396 1 323 . 1 1 33 33 THR HG21 H 1 1.348 0.05 . 1 . . . . . . . . 6396 1 324 . 1 1 33 33 THR HG22 H 1 1.348 0.05 . 1 . . . . . . . . 6396 1 325 . 1 1 33 33 THR HG23 H 1 1.348 0.05 . 1 . . . . . . . . 6396 1 326 . 1 1 34 34 GLU C C 13 176.022 0.15 . 1 . . . . . . . . 6396 1 327 . 1 1 34 34 GLU CA C 13 56.450 0.15 . 1 . . . . . . . . 6396 1 328 . 1 1 34 34 GLU CB C 13 29.772 0.15 . 1 . . . . . . . . 6396 1 329 . 1 1 34 34 GLU CG C 13 36.782 0.15 . 1 . . . . . . . . 6396 1 330 . 1 1 34 34 GLU HA H 1 4.405 0.05 . 2 . . . . . . . . 6396 1 331 . 1 1 34 34 GLU HB2 H 1 2.037 0.05 . 2 . . . . . . . . 6396 1 332 . 1 1 34 34 GLU HB3 H 1 2.276 0.05 . 2 . . . . . . . . 6396 1 333 . 1 1 34 34 GLU HG2 H 1 2.314 0.05 . 2 . . . . . . . . 6396 1 334 . 1 1 34 34 GLU H H 1 7.566 0.05 . 1 . . . . . . . . 6396 1 335 . 1 1 34 34 GLU N N 15 118.316 0.15 . 1 . . . . . . . . 6396 1 336 . 1 1 35 35 GLY C C 13 172.637 0.15 . 1 . . . . . . . . 6396 1 337 . 1 1 35 35 GLY CA C 13 44.924 0.15 . 1 . . . . . . . . 6396 1 338 . 1 1 35 35 GLY HA2 H 1 3.157 0.05 . 2 . . . . . . . . 6396 1 339 . 1 1 35 35 GLY HA3 H 1 3.653 0.05 . 2 . . . . . . . . 6396 1 340 . 1 1 35 35 GLY H H 1 8.081 0.05 . 1 . . . . . . . . 6396 1 341 . 1 1 35 35 GLY N N 15 106.748 0.15 . 1 . . . . . . . . 6396 1 342 . 1 1 36 36 ILE CA C 13 57.338 0.15 . 1 . . . . . . . . 6396 1 343 . 1 1 36 36 ILE CB C 13 38.229 0.15 . 1 . . . . . . . . 6396 1 344 . 1 1 36 36 ILE CD1 C 13 11.177 0.15 . 1 . . . . . . . . 6396 1 345 . 1 1 36 36 ILE CG1 C 13 27.454 0.15 . 1 . . . . . . . . 6396 1 346 . 1 1 36 36 ILE CG2 C 13 16.304 0.15 . 1 . . . . . . . . 6396 1 347 . 1 1 36 36 ILE HA H 1 4.318 0.05 . 2 . . . . . . . . 6396 1 348 . 1 1 36 36 ILE HB H 1 1.861 0.05 . 2 . . . . . . . . 6396 1 349 . 1 1 36 36 ILE HG12 H 1 1.267 0.05 . 2 . . . . . . . . 6396 1 350 . 1 1 36 36 ILE HG13 H 1 1.426 0.05 . 2 . . . . . . . . 6396 1 351 . 1 1 36 36 ILE H H 1 7.825 0.05 . 1 . . . . . . . . 6396 1 352 . 1 1 36 36 ILE N N 15 122.860 0.15 . 1 . . . . . . . . 6396 1 353 . 1 1 36 36 ILE HD11 H 1 0.786 0.05 . 1 . . . . . . . . 6396 1 354 . 1 1 36 36 ILE HD12 H 1 0.786 0.05 . 1 . . . . . . . . 6396 1 355 . 1 1 36 36 ILE HD13 H 1 0.786 0.05 . 1 . . . . . . . . 6396 1 356 . 1 1 36 36 ILE HG21 H 1 0.855 0.05 . 1 . . . . . . . . 6396 1 357 . 1 1 36 36 ILE HG22 H 1 0.855 0.05 . 1 . . . . . . . . 6396 1 358 . 1 1 36 36 ILE HG23 H 1 0.855 0.05 . 1 . . . . . . . . 6396 1 359 . 1 1 37 37 PRO C C 13 175.874 0.15 . 1 . . . . . . . . 6396 1 360 . 1 1 37 37 PRO CA C 13 62.445 0.15 . 1 . . . . . . . . 6396 1 361 . 1 1 37 37 PRO CB C 13 31.072 0.15 . 1 . . . . . . . . 6396 1 362 . 1 1 37 37 PRO HA H 1 4.784 0.05 . 2 . . . . . . . . 6396 1 363 . 1 1 37 37 PRO HB2 H 1 1.689 0.05 . 2 . . . . . . . . 6396 1 364 . 1 1 37 37 PRO HB3 H 1 1.908 0.05 . 2 . . . . . . . . 6396 1 365 . 1 1 38 38 ILE C C 13 176.091 0.15 . 1 . . . . . . . . 6396 1 366 . 1 1 38 38 ILE CA C 13 60.992 0.15 . 1 . . . . . . . . 6396 1 367 . 1 1 38 38 ILE CB C 13 38.954 0.15 . 1 . . . . . . . . 6396 1 368 . 1 1 38 38 ILE CD1 C 13 12.395 0.15 . 1 . . . . . . . . 6396 1 369 . 1 1 38 38 ILE CG1 C 13 26.685 0.15 . 1 . . . . . . . . 6396 1 370 . 1 1 38 38 ILE CG2 C 13 18.032 0.15 . 1 . . . . . . . . 6396 1 371 . 1 1 38 38 ILE HA H 1 4.190 0.05 . 2 . . . . . . . . 6396 1 372 . 1 1 38 38 ILE HB H 1 1.679 0.05 . 2 . . . . . . . . 6396 1 373 . 1 1 38 38 ILE HG12 H 1 1.247 0.05 . 2 . . . . . . . . 6396 1 374 . 1 1 38 38 ILE HG13 H 1 1.498 0.05 . 2 . . . . . . . . 6396 1 375 . 1 1 38 38 ILE H H 1 9.106 0.05 . 1 . . . . . . . . 6396 1 376 . 1 1 38 38 ILE N N 15 124.356 0.15 . 1 . . . . . . . . 6396 1 377 . 1 1 38 38 ILE HD11 H 1 0.678 0.05 . 1 . . . . . . . . 6396 1 378 . 1 1 38 38 ILE HD12 H 1 0.678 0.05 . 1 . . . . . . . . 6396 1 379 . 1 1 38 38 ILE HD13 H 1 0.678 0.05 . 1 . . . . . . . . 6396 1 380 . 1 1 38 38 ILE HG21 H 1 0.875 0.05 . 1 . . . . . . . . 6396 1 381 . 1 1 38 38 ILE HG22 H 1 0.875 0.05 . 1 . . . . . . . . 6396 1 382 . 1 1 38 38 ILE HG23 H 1 0.875 0.05 . 1 . . . . . . . . 6396 1 383 . 1 1 39 39 LYS C C 13 174.076 0.15 . 1 . . . . . . . . 6396 1 384 . 1 1 39 39 LYS CA C 13 55.749 0.15 . 1 . . . . . . . . 6396 1 385 . 1 1 39 39 LYS CB C 13 36.265 0.15 . 1 . . . . . . . . 6396 1 386 . 1 1 39 39 LYS CD C 13 29.097 0.15 . 1 . . . . . . . . 6396 1 387 . 1 1 39 39 LYS CE C 13 42.021 0.15 . 1 . . . . . . . . 6396 1 388 . 1 1 39 39 LYS CG C 13 25.419 0.15 . 1 . . . . . . . . 6396 1 389 . 1 1 39 39 LYS HA H 1 4.527 0.05 . 2 . . . . . . . . 6396 1 390 . 1 1 39 39 LYS HB2 H 1 1.480 0.05 . 2 . . . . . . . . 6396 1 391 . 1 1 39 39 LYS HB3 H 1 1.688 0.05 . 2 . . . . . . . . 6396 1 392 . 1 1 39 39 LYS HD2 H 1 1.622 0.05 . 2 . . . . . . . . 6396 1 393 . 1 1 39 39 LYS HE2 H 1 2.895 0.05 . 2 . . . . . . . . 6396 1 394 . 1 1 39 39 LYS HG2 H 1 1.280 0.05 . 2 . . . . . . . . 6396 1 395 . 1 1 39 39 LYS H H 1 7.492 0.05 . 1 . . . . . . . . 6396 1 396 . 1 1 39 39 LYS N N 15 118.660 0.15 . 1 . . . . . . . . 6396 1 397 . 1 1 40 40 SER C C 13 175.369 0.15 . 1 . . . . . . . . 6396 1 398 . 1 1 40 40 SER CA C 13 55.739 0.15 . 1 . . . . . . . . 6396 1 399 . 1 1 40 40 SER CB C 13 65.027 0.15 . 1 . . . . . . . . 6396 1 400 . 1 1 40 40 SER HA H 1 5.515 0.05 . 2 . . . . . . . . 6396 1 401 . 1 1 40 40 SER HB2 H 1 3.677 0.05 . 2 . . . . . . . . 6396 1 402 . 1 1 40 40 SER HB3 H 1 3.867 0.05 . 2 . . . . . . . . 6396 1 403 . 1 1 40 40 SER H H 1 8.684 0.05 . 1 . . . . . . . . 6396 1 404 . 1 1 40 40 SER N N 15 116.982 0.15 . 1 . . . . . . . . 6396 1 405 . 1 1 41 41 THR C C 13 174.351 0.15 . 1 . . . . . . . . 6396 1 406 . 1 1 41 41 THR CA C 13 61.812 0.15 . 1 . . . . . . . . 6396 1 407 . 1 1 41 41 THR CB C 13 68.617 0.15 . 1 . . . . . . . . 6396 1 408 . 1 1 41 41 THR CG2 C 13 21.787 0.15 . 1 . . . . . . . . 6396 1 409 . 1 1 41 41 THR HA H 1 4.685 0.05 . 2 . . . . . . . . 6396 1 410 . 1 1 41 41 THR HB H 1 4.347 0.05 . 2 . . . . . . . . 6396 1 411 . 1 1 41 41 THR HG1 H 1 6.276 0.05 . 2 . . . . . . . . 6396 1 412 . 1 1 41 41 THR H H 1 8.670 0.05 . 1 . . . . . . . . 6396 1 413 . 1 1 41 41 THR N N 15 115.879 0.15 . 1 . . . . . . . . 6396 1 414 . 1 1 41 41 THR HG21 H 1 1.255 0.05 . 1 . . . . . . . . 6396 1 415 . 1 1 41 41 THR HG22 H 1 1.255 0.05 . 1 . . . . . . . . 6396 1 416 . 1 1 41 41 THR HG23 H 1 1.255 0.05 . 1 . . . . . . . . 6396 1 417 . 1 1 42 42 MET C C 13 175.224 0.15 . 1 . . . . . . . . 6396 1 418 . 1 1 42 42 MET CA C 13 54.317 0.15 . 1 . . . . . . . . 6396 1 419 . 1 1 42 42 MET CB C 13 35.491 0.15 . 1 . . . . . . . . 6396 1 420 . 1 1 42 42 MET CE C 13 17.674 0.15 . 1 . . . . . . . . 6396 1 421 . 1 1 42 42 MET HA H 1 4.818 0.05 . 2 . . . . . . . . 6396 1 422 . 1 1 42 42 MET HB2 H 1 2.295 0.05 . 2 . . . . . . . . 6396 1 423 . 1 1 42 42 MET H H 1 8.616 0.05 . 1 . . . . . . . . 6396 1 424 . 1 1 42 42 MET N N 15 121.651 0.15 . 1 . . . . . . . . 6396 1 425 . 1 1 42 42 MET HE1 H 1 1.857 0.05 . 1 . . . . . . . . 6396 1 426 . 1 1 42 42 MET HE2 H 1 1.857 0.05 . 1 . . . . . . . . 6396 1 427 . 1 1 42 42 MET HE3 H 1 1.857 0.05 . 1 . . . . . . . . 6396 1 428 . 1 1 43 43 ASP C C 13 177.593 0.15 . 1 . . . . . . . . 6396 1 429 . 1 1 43 43 ASP CA C 13 53.713 0.15 . 1 . . . . . . . . 6396 1 430 . 1 1 43 43 ASP CB C 13 40.865 0.15 . 1 . . . . . . . . 6396 1 431 . 1 1 43 43 ASP HA H 1 4.535 0.05 . 2 . . . . . . . . 6396 1 432 . 1 1 43 43 ASP HB2 H 1 2.870 0.05 . 2 . . . . . . . . 6396 1 433 . 1 1 43 43 ASP HB3 H 1 3.211 0.05 . 2 . . . . . . . . 6396 1 434 . 1 1 43 43 ASP H H 1 8.606 0.05 . 1 . . . . . . . . 6396 1 435 . 1 1 43 43 ASP N N 15 118.777 0.15 . 1 . . . . . . . . 6396 1 436 . 1 1 44 44 ASN CA C 13 58.743 0.15 . 1 . . . . . . . . 6396 1 437 . 1 1 44 44 ASN CB C 13 36.385 0.15 . 1 . . . . . . . . 6396 1 438 . 1 1 44 44 ASN HA H 1 4.664 0.05 . 2 . . . . . . . . 6396 1 439 . 1 1 44 44 ASN HB2 H 1 2.995 0.05 . 2 . . . . . . . . 6396 1 440 . 1 1 44 44 ASN HB3 H 1 3.033 0.05 . 2 . . . . . . . . 6396 1 441 . 1 1 44 44 ASN HD21 H 1 7.057 0.05 . 2 . . . . . . . . 6396 1 442 . 1 1 44 44 ASN HD22 H 1 7.779 0.05 . 2 . . . . . . . . 6396 1 443 . 1 1 44 44 ASN H H 1 9.370 0.05 . 1 . . . . . . . . 6396 1 444 . 1 1 44 44 ASN N N 15 121.046 0.15 . 1 . . . . . . . . 6396 1 445 . 1 1 44 44 ASN ND2 N 15 113.188 0.15 . 1 . . . . . . . . 6396 1 446 . 1 1 45 45 PRO C C 13 179.811 0.15 . 1 . . . . . . . . 6396 1 447 . 1 1 45 45 PRO CA C 13 66.588 0.15 . 1 . . . . . . . . 6396 1 448 . 1 1 45 45 PRO CB C 13 30.856 0.15 . 1 . . . . . . . . 6396 1 449 . 1 1 45 45 PRO CD C 13 50.106 0.15 . 1 . . . . . . . . 6396 1 450 . 1 1 45 45 PRO HA H 1 4.368 0.05 . 2 . . . . . . . . 6396 1 451 . 1 1 45 45 PRO HB2 H 1 1.984 0.05 . 2 . . . . . . . . 6396 1 452 . 1 1 45 45 PRO HB3 H 1 2.365 0.05 . 2 . . . . . . . . 6396 1 453 . 1 1 45 45 PRO HD2 H 1 3.761 0.05 . 2 . . . . . . . . 6396 1 454 . 1 1 45 45 PRO HD3 H 1 4.018 0.05 . 2 . . . . . . . . 6396 1 455 . 1 1 46 46 THR C C 13 176.234 0.15 . 1 . . . . . . . . 6396 1 456 . 1 1 46 46 THR CA C 13 67.125 0.15 . 1 . . . . . . . . 6396 1 457 . 1 1 46 46 THR CB C 13 67.568 0.15 . 1 . . . . . . . . 6396 1 458 . 1 1 46 46 THR CG2 C 13 22.003 0.15 . 1 . . . . . . . . 6396 1 459 . 1 1 46 46 THR HA H 1 4.069 0.05 . 2 . . . . . . . . 6396 1 460 . 1 1 46 46 THR HB H 1 4.063 0.05 . 2 . . . . . . . . 6396 1 461 . 1 1 46 46 THR H H 1 8.126 0.05 . 1 . . . . . . . . 6396 1 462 . 1 1 46 46 THR N N 15 116.128 0.15 . 1 . . . . . . . . 6396 1 463 . 1 1 46 46 THR HG21 H 1 1.426 0.05 . 1 . . . . . . . . 6396 1 464 . 1 1 46 46 THR HG22 H 1 1.426 0.05 . 1 . . . . . . . . 6396 1 465 . 1 1 46 46 THR HG23 H 1 1.426 0.05 . 1 . . . . . . . . 6396 1 466 . 1 1 47 47 THR C C 13 175.594 0.15 . 1 . . . . . . . . 6396 1 467 . 1 1 47 47 THR CA C 13 67.643 0.15 . 1 . . . . . . . . 6396 1 468 . 1 1 47 47 THR CB C 13 68.594 0.15 . 1 . . . . . . . . 6396 1 469 . 1 1 47 47 THR HA H 1 4.644 0.05 . 2 . . . . . . . . 6396 1 470 . 1 1 47 47 THR HB H 1 3.805 0.05 . 2 . . . . . . . . 6396 1 471 . 1 1 47 47 THR H H 1 8.433 0.05 . 1 . . . . . . . . 6396 1 472 . 1 1 47 47 THR N N 15 119.012 0.15 . 1 . . . . . . . . 6396 1 473 . 1 1 47 47 THR HG21 H 1 1.273 0.05 . 1 . . . . . . . . 6396 1 474 . 1 1 47 47 THR HG22 H 1 1.273 0.05 . 1 . . . . . . . . 6396 1 475 . 1 1 47 47 THR HG23 H 1 1.273 0.05 . 1 . . . . . . . . 6396 1 476 . 1 1 48 48 THR C C 13 175.744 0.15 . 1 . . . . . . . . 6396 1 477 . 1 1 48 48 THR CA C 13 67.153 0.15 . 1 . . . . . . . . 6396 1 478 . 1 1 48 48 THR CB C 13 69.023 0.15 . 1 . . . . . . . . 6396 1 479 . 1 1 48 48 THR CG2 C 13 21.654 0.15 . 1 . . . . . . . . 6396 1 480 . 1 1 48 48 THR HA H 1 3.804 0.05 . 2 . . . . . . . . 6396 1 481 . 1 1 48 48 THR HB H 1 4.237 0.05 . 2 . . . . . . . . 6396 1 482 . 1 1 48 48 THR H H 1 8.432 0.05 . 1 . . . . . . . . 6396 1 483 . 1 1 48 48 THR N N 15 116.962 0.15 . 1 . . . . . . . . 6396 1 484 . 1 1 48 48 THR HG21 H 1 1.269 0.05 . 1 . . . . . . . . 6396 1 485 . 1 1 48 48 THR HG22 H 1 1.269 0.05 . 1 . . . . . . . . 6396 1 486 . 1 1 48 48 THR HG23 H 1 1.269 0.05 . 1 . . . . . . . . 6396 1 487 . 1 1 49 49 GLN C C 13 178.713 0.15 . 1 . . . . . . . . 6396 1 488 . 1 1 49 49 GLN CA C 13 59.323 0.15 . 1 . . . . . . . . 6396 1 489 . 1 1 49 49 GLN CB C 13 29.073 0.15 . 1 . . . . . . . . 6396 1 490 . 1 1 49 49 GLN CG C 13 33.690 0.15 . 1 . . . . . . . . 6396 1 491 . 1 1 49 49 GLN HA H 1 4.201 0.05 . 2 . . . . . . . . 6396 1 492 . 1 1 49 49 GLN HB2 H 1 2.168 0.05 . 2 . . . . . . . . 6396 1 493 . 1 1 49 49 GLN HG3 H 1 2.317 0.05 . 2 . . . . . . . . 6396 1 494 . 1 1 49 49 GLN H H 1 7.762 0.05 . 1 . . . . . . . . 6396 1 495 . 1 1 49 49 GLN N N 15 120.776 0.15 . 1 . . . . . . . . 6396 1 496 . 1 1 50 50 TYR C C 13 178.738 0.15 . 1 . . . . . . . . 6396 1 497 . 1 1 50 50 TYR CA C 13 63.489 0.15 . 1 . . . . . . . . 6396 1 498 . 1 1 50 50 TYR CB C 13 39.393 0.15 . 1 . . . . . . . . 6396 1 499 . 1 1 50 50 TYR HA H 1 4.031 0.05 . 2 . . . . . . . . 6396 1 500 . 1 1 50 50 TYR HB2 H 1 2.610 0.05 . 2 . . . . . . . . 6396 1 501 . 1 1 50 50 TYR HB3 H 1 3.026 0.05 . 2 . . . . . . . . 6396 1 502 . 1 1 50 50 TYR H H 1 8.467 0.05 . 1 . . . . . . . . 6396 1 503 . 1 1 50 50 TYR N N 15 116.452 0.15 . 1 . . . . . . . . 6396 1 504 . 1 1 50 50 TYR HD1 H 1 7.030 0.05 . 4 . . . . . . . . 6396 1 505 . 1 1 50 50 TYR HE1 H 1 6.609 0.05 . 4 . . . . . . . . 6396 1 506 . 1 1 51 51 ALA C C 13 178.978 0.15 . 1 . . . . . . . . 6396 1 507 . 1 1 51 51 ALA CA C 13 56.543 0.15 . 1 . . . . . . . . 6396 1 508 . 1 1 51 51 ALA CB C 13 18.279 0.15 . 1 . . . . . . . . 6396 1 509 . 1 1 51 51 ALA HA H 1 3.916 0.05 . 2 . . . . . . . . 6396 1 510 . 1 1 51 51 ALA H H 1 9.012 0.05 . 1 . . . . . . . . 6396 1 511 . 1 1 51 51 ALA N N 15 120.964 0.15 . 1 . . . . . . . . 6396 1 512 . 1 1 51 51 ALA HB1 H 1 1.534 0.05 . 1 . . . . . . . . 6396 1 513 . 1 1 51 51 ALA HB2 H 1 1.534 0.05 . 1 . . . . . . . . 6396 1 514 . 1 1 51 51 ALA HB3 H 1 1.534 0.05 . 1 . . . . . . . . 6396 1 515 . 1 1 52 52 ASN C C 13 178.243 0.15 . 1 . . . . . . . . 6396 1 516 . 1 1 52 52 ASN CA C 13 56.442 0.15 . 1 . . . . . . . . 6396 1 517 . 1 1 52 52 ASN CB C 13 38.727 0.15 . 1 . . . . . . . . 6396 1 518 . 1 1 52 52 ASN HA H 1 4.635 0.05 . 2 . . . . . . . . 6396 1 519 . 1 1 52 52 ASN HB2 H 1 2.885 0.05 . 2 . . . . . . . . 6396 1 520 . 1 1 52 52 ASN HB3 H 1 3.024 0.05 . 2 . . . . . . . . 6396 1 521 . 1 1 52 52 ASN H H 1 8.111 0.05 . 1 . . . . . . . . 6396 1 522 . 1 1 52 52 ASN N N 15 115.311 0.15 . 1 . . . . . . . . 6396 1 523 . 1 1 53 53 LEU C C 13 180.801 0.15 . 1 . . . . . . . . 6396 1 524 . 1 1 53 53 LEU CA C 13 57.801 0.15 . 1 . . . . . . . . 6396 1 525 . 1 1 53 53 LEU CB C 13 42.595 0.15 . 1 . . . . . . . . 6396 1 526 . 1 1 53 53 LEU CD1 C 13 23.684 0.15 . 1 . . . . . . . . 6396 1 527 . 1 1 53 53 LEU CD2 C 13 25.716 0.15 . 1 . . . . . . . . 6396 1 528 . 1 1 53 53 LEU HA H 1 4.228 0.05 . 2 . . . . . . . . 6396 1 529 . 1 1 53 53 LEU HB2 H 1 1.472 0.05 . 2 . . . . . . . . 6396 1 530 . 1 1 53 53 LEU HB3 H 1 1.756 0.05 . 2 . . . . . . . . 6396 1 531 . 1 1 53 53 LEU H H 1 8.143 0.05 . 1 . . . . . . . . 6396 1 532 . 1 1 53 53 LEU N N 15 118.763 0.15 . 1 . . . . . . . . 6396 1 533 . 1 1 53 53 LEU HD11 H 1 0.865 0.05 . 2 . . . . . . . . 6396 1 534 . 1 1 53 53 LEU HD12 H 1 0.865 0.05 . 2 . . . . . . . . 6396 1 535 . 1 1 53 53 LEU HD13 H 1 0.865 0.05 . 2 . . . . . . . . 6396 1 536 . 1 1 53 53 LEU HD21 H 1 0.774 0.05 . 2 . . . . . . . . 6396 1 537 . 1 1 53 53 LEU HD22 H 1 0.774 0.05 . 2 . . . . . . . . 6396 1 538 . 1 1 53 53 LEU HD23 H 1 0.774 0.05 . 2 . . . . . . . . 6396 1 539 . 1 1 54 54 MET C C 13 178.339 0.15 . 1 . . . . . . . . 6396 1 540 . 1 1 54 54 MET CA C 13 55.691 0.15 . 1 . . . . . . . . 6396 1 541 . 1 1 54 54 MET CB C 13 30.854 0.15 . 1 . . . . . . . . 6396 1 542 . 1 1 54 54 MET CE C 13 17.851 0.15 . 1 . . . . . . . . 6396 1 543 . 1 1 54 54 MET HA H 1 4.807 0.05 . 2 . . . . . . . . 6396 1 544 . 1 1 54 54 MET HB2 H 1 2.016 0.05 . 2 . . . . . . . . 6396 1 545 . 1 1 54 54 MET H H 1 8.957 0.05 . 1 . . . . . . . . 6396 1 546 . 1 1 54 54 MET N N 15 115.003 0.15 . 1 . . . . . . . . 6396 1 547 . 1 1 54 54 MET HE1 H 1 1.794 0.05 . 1 . . . . . . . . 6396 1 548 . 1 1 54 54 MET HE2 H 1 1.794 0.05 . 1 . . . . . . . . 6396 1 549 . 1 1 54 54 MET HE3 H 1 1.794 0.05 . 1 . . . . . . . . 6396 1 550 . 1 1 55 55 HIS C C 13 175.901 0.15 . 1 . . . . . . . . 6396 1 551 . 1 1 55 55 HIS CA C 13 59.935 0.15 . 1 . . . . . . . . 6396 1 552 . 1 1 55 55 HIS CB C 13 28.967 0.15 . 1 . . . . . . . . 6396 1 553 . 1 1 55 55 HIS HA H 1 4.247 0.05 . 2 . . . . . . . . 6396 1 554 . 1 1 55 55 HIS HB2 H 1 3.590 0.05 . 2 . . . . . . . . 6396 1 555 . 1 1 55 55 HIS HB3 H 1 3.465 0.05 . 2 . . . . . . . . 6396 1 556 . 1 1 55 55 HIS HD2 H 1 7.207 0.05 . 2 . . . . . . . . 6396 1 557 . 1 1 55 55 HIS H H 1 8.555 0.05 . 1 . . . . . . . . 6396 1 558 . 1 1 55 55 HIS N N 15 119.869 0.15 . 1 . . . . . . . . 6396 1 559 . 1 1 56 56 ASN C C 13 177.464 0.15 . 1 . . . . . . . . 6396 1 560 . 1 1 56 56 ASN CA C 13 56.375 0.15 . 1 . . . . . . . . 6396 1 561 . 1 1 56 56 ASN CB C 13 38.555 0.15 . 1 . . . . . . . . 6396 1 562 . 1 1 56 56 ASN HA H 1 4.283 0.05 . 2 . . . . . . . . 6396 1 563 . 1 1 56 56 ASN HB2 H 1 2.782 0.05 . 2 . . . . . . . . 6396 1 564 . 1 1 56 56 ASN HB3 H 1 2.922 0.05 . 2 . . . . . . . . 6396 1 565 . 1 1 56 56 ASN H H 1 7.734 0.05 . 1 . . . . . . . . 6396 1 566 . 1 1 56 56 ASN N N 15 114.906 0.15 . 1 . . . . . . . . 6396 1 567 . 1 1 57 57 PHE C C 13 177.006 0.15 . 1 . . . . . . . . 6396 1 568 . 1 1 57 57 PHE CA C 13 61.311 0.15 . 1 . . . . . . . . 6396 1 569 . 1 1 57 57 PHE CB C 13 39.849 0.15 . 1 . . . . . . . . 6396 1 570 . 1 1 57 57 PHE HA H 1 4.237 0.05 . 2 . . . . . . . . 6396 1 571 . 1 1 57 57 PHE HB2 H 1 3.041 0.05 . 2 . . . . . . . . 6396 1 572 . 1 1 57 57 PHE HB3 H 1 3.386 0.05 . 2 . . . . . . . . 6396 1 573 . 1 1 57 57 PHE H H 1 8.043 0.05 . 1 . . . . . . . . 6396 1 574 . 1 1 57 57 PHE N N 15 120.492 0.15 . 1 . . . . . . . . 6396 1 575 . 1 1 57 57 PHE HD1 H 1 7.031 0.05 . 4 . . . . . . . . 6396 1 576 . 1 1 57 57 PHE HE1 H 1 6.862 0.05 . 4 . . . . . . . . 6396 1 577 . 1 1 58 58 ILE C C 13 177.396 0.15 . 1 . . . . . . . . 6396 1 578 . 1 1 58 58 ILE CA C 13 65.191 0.15 . 1 . . . . . . . . 6396 1 579 . 1 1 58 58 ILE CB C 13 37.472 0.15 . 1 . . . . . . . . 6396 1 580 . 1 1 58 58 ILE CD1 C 13 13.603 0.15 . 1 . . . . . . . . 6396 1 581 . 1 1 58 58 ILE CG1 C 13 30.119 0.15 . 1 . . . . . . . . 6396 1 582 . 1 1 58 58 ILE CG2 C 13 16.979 0.15 . 1 . . . . . . . . 6396 1 583 . 1 1 58 58 ILE HA H 1 3.282 0.05 . 2 . . . . . . . . 6396 1 584 . 1 1 58 58 ILE HB H 1 1.630 0.05 . 2 . . . . . . . . 6396 1 585 . 1 1 58 58 ILE HG12 H 1 0.654 0.05 . 2 . . . . . . . . 6396 1 586 . 1 1 58 58 ILE HG13 H 1 1.720 0.05 . 2 . . . . . . . . 6396 1 587 . 1 1 58 58 ILE H H 1 8.843 0.05 . 1 . . . . . . . . 6396 1 588 . 1 1 58 58 ILE N N 15 119.735 0.15 . 1 . . . . . . . . 6396 1 589 . 1 1 58 58 ILE HD11 H 1 0.366 0.05 . 1 . . . . . . . . 6396 1 590 . 1 1 58 58 ILE HD12 H 1 0.366 0.05 . 1 . . . . . . . . 6396 1 591 . 1 1 58 58 ILE HD13 H 1 0.366 0.05 . 1 . . . . . . . . 6396 1 592 . 1 1 58 58 ILE HG21 H 1 0.261 0.05 . 1 . . . . . . . . 6396 1 593 . 1 1 58 58 ILE HG22 H 1 0.261 0.05 . 1 . . . . . . . . 6396 1 594 . 1 1 58 58 ILE HG23 H 1 0.261 0.05 . 1 . . . . . . . . 6396 1 595 . 1 1 59 59 LEU C C 13 180.323 0.15 . 1 . . . . . . . . 6396 1 596 . 1 1 59 59 LEU CA C 13 58.339 0.15 . 1 . . . . . . . . 6396 1 597 . 1 1 59 59 LEU CB C 13 41.257 0.15 . 1 . . . . . . . . 6396 1 598 . 1 1 59 59 LEU CD1 C 13 24.935 0.15 . 1 . . . . . . . . 6396 1 599 . 1 1 59 59 LEU CD2 C 13 22.990 0.15 . 1 . . . . . . . . 6396 1 600 . 1 1 59 59 LEU HA H 1 3.922 0.05 . 2 . . . . . . . . 6396 1 601 . 1 1 59 59 LEU HB2 H 1 1.483 0.05 . 2 . . . . . . . . 6396 1 602 . 1 1 59 59 LEU HB3 H 1 1.733 0.05 . 2 . . . . . . . . 6396 1 603 . 1 1 59 59 LEU H H 1 7.361 0.05 . 1 . . . . . . . . 6396 1 604 . 1 1 59 59 LEU N N 15 119.157 0.15 . 1 . . . . . . . . 6396 1 605 . 1 1 59 59 LEU HD11 H 1 0.689 0.05 . 2 . . . . . . . . 6396 1 606 . 1 1 59 59 LEU HD12 H 1 0.689 0.05 . 2 . . . . . . . . 6396 1 607 . 1 1 59 59 LEU HD13 H 1 0.689 0.05 . 2 . . . . . . . . 6396 1 608 . 1 1 59 59 LEU HD21 H 1 0.817 0.05 . 2 . . . . . . . . 6396 1 609 . 1 1 59 59 LEU HD22 H 1 0.817 0.05 . 2 . . . . . . . . 6396 1 610 . 1 1 59 59 LEU HD23 H 1 0.817 0.05 . 2 . . . . . . . . 6396 1 611 . 1 1 60 60 LYS C C 13 179.344 0.15 . 1 . . . . . . . . 6396 1 612 . 1 1 60 60 LYS CA C 13 57.467 0.15 . 1 . . . . . . . . 6396 1 613 . 1 1 60 60 LYS CB C 13 31.632 0.15 . 1 . . . . . . . . 6396 1 614 . 1 1 60 60 LYS CD C 13 28.310 0.15 . 1 . . . . . . . . 6396 1 615 . 1 1 60 60 LYS CE C 13 41.982 0.15 . 1 . . . . . . . . 6396 1 616 . 1 1 60 60 LYS CG C 13 24.926 0.15 . 1 . . . . . . . . 6396 1 617 . 1 1 60 60 LYS HA H 1 4.249 0.05 . 2 . . . . . . . . 6396 1 618 . 1 1 60 60 LYS HB2 H 1 1.925 0.05 . 2 . . . . . . . . 6396 1 619 . 1 1 60 60 LYS HD2 H 1 1.686 0.05 . 2 . . . . . . . . 6396 1 620 . 1 1 60 60 LYS HE2 H 1 2.936 0.05 . 2 . . . . . . . . 6396 1 621 . 1 1 60 60 LYS HG2 H 1 1.462 0.05 . 2 . . . . . . . . 6396 1 622 . 1 1 60 60 LYS H H 1 7.620 0.05 . 1 . . . . . . . . 6396 1 623 . 1 1 60 60 LYS N N 15 119.271 0.15 . 1 . . . . . . . . 6396 1 624 . 1 1 61 61 ALA C C 13 178.345 0.15 . 1 . . . . . . . . 6396 1 625 . 1 1 61 61 ALA CA C 13 55.478 0.15 . 1 . . . . . . . . 6396 1 626 . 1 1 61 61 ALA CB C 13 19.053 0.15 . 1 . . . . . . . . 6396 1 627 . 1 1 61 61 ALA HA H 1 3.601 0.05 . 2 . . . . . . . . 6396 1 628 . 1 1 61 61 ALA H H 1 8.809 0.05 . 1 . . . . . . . . 6396 1 629 . 1 1 61 61 ALA N N 15 125.140 0.15 . 1 . . . . . . . . 6396 1 630 . 1 1 61 61 ALA HB1 H 1 1.248 0.05 . 1 . . . . . . . . 6396 1 631 . 1 1 61 61 ALA HB2 H 1 1.248 0.05 . 1 . . . . . . . . 6396 1 632 . 1 1 61 61 ALA HB3 H 1 1.248 0.05 . 1 . . . . . . . . 6396 1 633 . 1 1 62 62 ARG C C 13 178.017 0.15 . 1 . . . . . . . . 6396 1 634 . 1 1 62 62 ARG CA C 13 60.547 0.15 . 1 . . . . . . . . 6396 1 635 . 1 1 62 62 ARG CB C 13 30.526 0.15 . 1 . . . . . . . . 6396 1 636 . 1 1 62 62 ARG CD C 13 44.171 0.15 . 1 . . . . . . . . 6396 1 637 . 1 1 62 62 ARG CG C 13 27.448 0.15 . 1 . . . . . . . . 6396 1 638 . 1 1 62 62 ARG HA H 1 3.807 0.05 . 2 . . . . . . . . 6396 1 639 . 1 1 62 62 ARG HB2 H 1 1.859 0.05 . 2 . . . . . . . . 6396 1 640 . 1 1 62 62 ARG HB3 H 1 2.006 0.05 . 2 . . . . . . . . 6396 1 641 . 1 1 62 62 ARG HD2 H 1 3.220 0.05 . 2 . . . . . . . . 6396 1 642 . 1 1 62 62 ARG HD3 H 1 3.259 0.05 . 2 . . . . . . . . 6396 1 643 . 1 1 62 62 ARG HE H 1 8.334 0.05 . 2 . . . . . . . . 6396 1 644 . 1 1 62 62 ARG HG2 H 1 1.695 0.05 . 2 . . . . . . . . 6396 1 645 . 1 1 62 62 ARG HG3 H 1 2.052 0.05 . 2 . . . . . . . . 6396 1 646 . 1 1 62 62 ARG H H 1 8.625 0.05 . 1 . . . . . . . . 6396 1 647 . 1 1 62 62 ARG N N 15 117.654 0.15 . 1 . . . . . . . . 6396 1 648 . 1 1 62 62 ARG NE N 15 84.894 0.15 . 1 . . . . . . . . 6396 1 649 . 1 1 63 63 SER C C 13 176.799 0.15 . 1 . . . . . . . . 6396 1 650 . 1 1 63 63 SER CA C 13 61.796 0.15 . 1 . . . . . . . . 6396 1 651 . 1 1 63 63 SER CB C 13 62.794 0.15 . 1 . . . . . . . . 6396 1 652 . 1 1 63 63 SER HA H 1 4.148 0.05 . 2 . . . . . . . . 6396 1 653 . 1 1 63 63 SER HB2 H 1 3.999 0.05 . 2 . . . . . . . . 6396 1 654 . 1 1 63 63 SER H H 1 8.087 0.05 . 1 . . . . . . . . 6396 1 655 . 1 1 63 63 SER N N 15 113.263 0.15 . 1 . . . . . . . . 6396 1 656 . 1 1 64 64 THR C C 13 175.152 0.15 . 1 . . . . . . . . 6396 1 657 . 1 1 64 64 THR CA C 13 67.679 0.15 . 1 . . . . . . . . 6396 1 658 . 1 1 64 64 THR CB C 13 68.476 0.15 . 1 . . . . . . . . 6396 1 659 . 1 1 64 64 THR CG2 C 13 20.672 0.15 . 1 . . . . . . . . 6396 1 660 . 1 1 64 64 THR HA H 1 3.850 0.05 . 2 . . . . . . . . 6396 1 661 . 1 1 64 64 THR H H 1 8.017 0.05 . 1 . . . . . . . . 6396 1 662 . 1 1 64 64 THR N N 15 119.025 0.15 . 1 . . . . . . . . 6396 1 663 . 1 1 64 64 THR HG21 H 1 0.864 0.05 . 1 . . . . . . . . 6396 1 664 . 1 1 64 64 THR HG22 H 1 0.864 0.05 . 1 . . . . . . . . 6396 1 665 . 1 1 64 64 THR HG23 H 1 0.864 0.05 . 1 . . . . . . . . 6396 1 666 . 1 1 65 65 VAL C C 13 178.552 0.15 . 1 . . . . . . . . 6396 1 667 . 1 1 65 65 VAL CA C 13 66.542 0.15 . 1 . . . . . . . . 6396 1 668 . 1 1 65 65 VAL CB C 13 31.527 0.15 . 1 . . . . . . . . 6396 1 669 . 1 1 65 65 VAL CG1 C 13 21.823 0.15 . 1 . . . . . . . . 6396 1 670 . 1 1 65 65 VAL CG2 C 13 21.198 0.15 . 1 . . . . . . . . 6396 1 671 . 1 1 65 65 VAL HA H 1 3.539 0.05 . 2 . . . . . . . . 6396 1 672 . 1 1 65 65 VAL HB H 1 2.174 0.05 . 2 . . . . . . . . 6396 1 673 . 1 1 65 65 VAL H H 1 7.700 0.05 . 1 . . . . . . . . 6396 1 674 . 1 1 65 65 VAL N N 15 116.741 0.15 . 1 . . . . . . . . 6396 1 675 . 1 1 65 65 VAL HG11 H 1 0.928 0.05 . 2 . . . . . . . . 6396 1 676 . 1 1 65 65 VAL HG12 H 1 0.928 0.05 . 2 . . . . . . . . 6396 1 677 . 1 1 65 65 VAL HG13 H 1 0.928 0.05 . 2 . . . . . . . . 6396 1 678 . 1 1 65 65 VAL HG21 H 1 0.800 0.05 . 2 . . . . . . . . 6396 1 679 . 1 1 65 65 VAL HG22 H 1 0.800 0.05 . 2 . . . . . . . . 6396 1 680 . 1 1 65 65 VAL HG23 H 1 0.800 0.05 . 2 . . . . . . . . 6396 1 681 . 1 1 66 66 ARG C C 13 177.560 0.15 . 1 . . . . . . . . 6396 1 682 . 1 1 66 66 ARG CA C 13 57.946 0.15 . 1 . . . . . . . . 6396 1 683 . 1 1 66 66 ARG CB C 13 30.367 0.15 . 1 . . . . . . . . 6396 1 684 . 1 1 66 66 ARG HA H 1 4.389 0.05 . 2 . . . . . . . . 6396 1 685 . 1 1 66 66 ARG HB2 H 1 1.788 0.05 . 2 . . . . . . . . 6396 1 686 . 1 1 66 66 ARG HB3 H 1 1.843 0.05 . 2 . . . . . . . . 6396 1 687 . 1 1 66 66 ARG HD2 H 1 3.211 0.05 . 2 . . . . . . . . 6396 1 688 . 1 1 66 66 ARG HE H 1 6.996 0.05 . 2 . . . . . . . . 6396 1 689 . 1 1 66 66 ARG H H 1 7.725 0.05 . 1 . . . . . . . . 6396 1 690 . 1 1 66 66 ARG N N 15 118.796 0.15 . 1 . . . . . . . . 6396 1 691 . 1 1 66 66 ARG NE N 15 84.642 0.15 . 1 . . . . . . . . 6396 1 692 . 1 1 67 67 GLU C C 13 178.346 0.15 . 1 . . . . . . . . 6396 1 693 . 1 1 67 67 GLU CA C 13 58.632 0.15 . 1 . . . . . . . . 6396 1 694 . 1 1 67 67 GLU CB C 13 29.338 0.15 . 1 . . . . . . . . 6396 1 695 . 1 1 67 67 GLU CG C 13 36.193 0.15 . 1 . . . . . . . . 6396 1 696 . 1 1 67 67 GLU HA H 1 3.981 0.05 . 2 . . . . . . . . 6396 1 697 . 1 1 67 67 GLU HB2 H 1 2.010 0.05 . 2 . . . . . . . . 6396 1 698 . 1 1 67 67 GLU HB3 H 1 2.188 0.05 . 2 . . . . . . . . 6396 1 699 . 1 1 67 67 GLU HG2 H 1 2.236 0.05 . 2 . . . . . . . . 6396 1 700 . 1 1 67 67 GLU HG3 H 1 2.416 0.05 . 2 . . . . . . . . 6396 1 701 . 1 1 67 67 GLU H H 1 7.876 0.05 . 1 . . . . . . . . 6396 1 702 . 1 1 67 67 GLU N N 15 119.725 0.15 . 1 . . . . . . . . 6396 1 703 . 1 1 68 68 ILE C C 13 176.413 0.15 . 1 . . . . . . . . 6396 1 704 . 1 1 68 68 ILE CA C 13 63.925 0.15 . 1 . . . . . . . . 6396 1 705 . 1 1 68 68 ILE CB C 13 38.694 0.15 . 1 . . . . . . . . 6396 1 706 . 1 1 68 68 ILE CD1 C 13 13.062 0.15 . 1 . . . . . . . . 6396 1 707 . 1 1 68 68 ILE CG1 C 13 28.967 0.15 . 1 . . . . . . . . 6396 1 708 . 1 1 68 68 ILE CG2 C 13 17.285 0.15 . 1 . . . . . . . . 6396 1 709 . 1 1 68 68 ILE HA H 1 3.593 0.05 . 2 . . . . . . . . 6396 1 710 . 1 1 68 68 ILE HB H 1 1.639 0.05 . 2 . . . . . . . . 6396 1 711 . 1 1 68 68 ILE HG12 H 1 0.517 0.05 . 2 . . . . . . . . 6396 1 712 . 1 1 68 68 ILE HG13 H 1 1.540 0.05 . 2 . . . . . . . . 6396 1 713 . 1 1 68 68 ILE H H 1 7.045 0.05 . 1 . . . . . . . . 6396 1 714 . 1 1 68 68 ILE N N 15 118.019 0.15 . 1 . . . . . . . . 6396 1 715 . 1 1 68 68 ILE HD11 H 1 0.343 0.05 . 1 . . . . . . . . 6396 1 716 . 1 1 68 68 ILE HD12 H 1 0.343 0.05 . 1 . . . . . . . . 6396 1 717 . 1 1 68 68 ILE HD13 H 1 0.343 0.05 . 1 . . . . . . . . 6396 1 718 . 1 1 68 68 ILE HG21 H 1 0.765 0.05 . 1 . . . . . . . . 6396 1 719 . 1 1 68 68 ILE HG22 H 1 0.765 0.05 . 1 . . . . . . . . 6396 1 720 . 1 1 68 68 ILE HG23 H 1 0.765 0.05 . 1 . . . . . . . . 6396 1 721 . 1 1 69 69 ASP CA C 13 51.424 0.15 . 1 . . . . . . . . 6396 1 722 . 1 1 69 69 ASP CB C 13 43.279 0.15 . 1 . . . . . . . . 6396 1 723 . 1 1 69 69 ASP HA H 1 4.938 0.05 . 2 . . . . . . . . 6396 1 724 . 1 1 69 69 ASP HB2 H 1 2.981 0.05 . 2 . . . . . . . . 6396 1 725 . 1 1 69 69 ASP HB3 H 1 2.717 0.05 . 2 . . . . . . . . 6396 1 726 . 1 1 69 69 ASP H H 1 7.315 0.05 . 1 . . . . . . . . 6396 1 727 . 1 1 69 69 ASP N N 15 116.157 0.15 . 1 . . . . . . . . 6396 1 728 . 1 1 70 70 PRO C C 13 177.922 0.15 . 1 . . . . . . . . 6396 1 729 . 1 1 70 70 PRO CA C 13 64.514 0.15 . 1 . . . . . . . . 6396 1 730 . 1 1 70 70 PRO CB C 13 32.365 0.15 . 1 . . . . . . . . 6396 1 731 . 1 1 70 70 PRO CD C 13 50.980 0.15 . 1 . . . . . . . . 6396 1 732 . 1 1 70 70 PRO CG C 13 27.397 0.15 . 1 . . . . . . . . 6396 1 733 . 1 1 70 70 PRO HA H 1 4.637 0.05 . 2 . . . . . . . . 6396 1 734 . 1 1 70 70 PRO HB2 H 1 2.440 0.05 . 2 . . . . . . . . 6396 1 735 . 1 1 70 70 PRO HB3 H 1 2.040 0.05 . 2 . . . . . . . . 6396 1 736 . 1 1 70 70 PRO HD2 H 1 3.658 0.05 . 2 . . . . . . . . 6396 1 737 . 1 1 70 70 PRO HD3 H 1 3.942 0.05 . 2 . . . . . . . . 6396 1 738 . 1 1 70 70 PRO HG3 H 1 2.056 0.05 . 2 . . . . . . . . 6396 1 739 . 1 1 71 71 GLN C C 13 175.517 0.15 . 1 . . . . . . . . 6396 1 740 . 1 1 71 71 GLN CA C 13 55.450 0.15 . 1 . . . . . . . . 6396 1 741 . 1 1 71 71 GLN CB C 13 28.795 0.15 . 1 . . . . . . . . 6396 1 742 . 1 1 71 71 GLN HA H 1 4.458 0.05 . 2 . . . . . . . . 6396 1 743 . 1 1 71 71 GLN HB2 H 1 1.954 0.05 . 2 . . . . . . . . 6396 1 744 . 1 1 71 71 GLN HB3 H 1 2.321 0.05 . 2 . . . . . . . . 6396 1 745 . 1 1 71 71 GLN HE21 H 1 6.715 0.05 . 2 . . . . . . . . 6396 1 746 . 1 1 71 71 GLN HE22 H 1 7.316 0.05 . 2 . . . . . . . . 6396 1 747 . 1 1 71 71 GLN HG2 H 1 2.025 0.05 . 2 . . . . . . . . 6396 1 748 . 1 1 71 71 GLN HG3 H 1 2.352 0.05 . 2 . . . . . . . . 6396 1 749 . 1 1 71 71 GLN H H 1 8.213 0.05 . 1 . . . . . . . . 6396 1 750 . 1 1 71 71 GLN N N 15 115.600 0.15 . 1 . . . . . . . . 6396 1 751 . 1 1 71 71 GLN NE2 N 15 110.498 0.15 . 1 . . . . . . . . 6396 1 752 . 1 1 72 72 ASN C C 13 172.932 0.15 . 1 . . . . . . . . 6396 1 753 . 1 1 72 72 ASN CA C 13 50.354 0.15 . 1 . . . . . . . . 6396 1 754 . 1 1 72 72 ASN CB C 13 40.744 0.15 . 1 . . . . . . . . 6396 1 755 . 1 1 72 72 ASN HA H 1 4.885 0.05 . 2 . . . . . . . . 6396 1 756 . 1 1 72 72 ASN HB2 H 1 2.739 0.05 . 2 . . . . . . . . 6396 1 757 . 1 1 72 72 ASN HB3 H 1 2.990 0.05 . 2 . . . . . . . . 6396 1 758 . 1 1 72 72 ASN HD21 H 1 7.683 0.05 . 2 . . . . . . . . 6396 1 759 . 1 1 72 72 ASN HD22 H 1 8.267 0.05 . 2 . . . . . . . . 6396 1 760 . 1 1 72 72 ASN H H 1 8.202 0.05 . 1 . . . . . . . . 6396 1 761 . 1 1 72 72 ASN N N 15 120.356 0.15 . 1 . . . . . . . . 6396 1 762 . 1 1 72 72 ASN ND2 N 15 111.354 0.15 . 1 . . . . . . . . 6396 1 763 . 1 1 73 73 ASP C C 13 174.669 0.15 . 1 . . . . . . . . 6396 1 764 . 1 1 73 73 ASP CA C 13 53.140 0.15 . 1 . . . . . . . . 6396 1 765 . 1 1 73 73 ASP CB C 13 44.104 0.15 . 1 . . . . . . . . 6396 1 766 . 1 1 73 73 ASP HA H 1 4.767 0.05 . 2 . . . . . . . . 6396 1 767 . 1 1 73 73 ASP HB2 H 1 2.510 0.05 . 2 . . . . . . . . 6396 1 768 . 1 1 73 73 ASP HB3 H 1 2.635 0.05 . 2 . . . . . . . . 6396 1 769 . 1 1 73 73 ASP H H 1 7.901 0.05 . 1 . . . . . . . . 6396 1 770 . 1 1 73 73 ASP N N 15 115.299 0.15 . 1 . . . . . . . . 6396 1 771 . 1 1 74 74 LEU C C 13 175.685 0.15 . 1 . . . . . . . . 6396 1 772 . 1 1 74 74 LEU CA C 13 55.604 0.15 . 1 . . . . . . . . 6396 1 773 . 1 1 74 74 LEU CB C 13 45.192 0.15 . 1 . . . . . . . . 6396 1 774 . 1 1 74 74 LEU CD1 C 13 25.579 0.15 . 1 . . . . . . . . 6396 1 775 . 1 1 74 74 LEU CD2 C 13 26.245 0.15 . 1 . . . . . . . . 6396 1 776 . 1 1 74 74 LEU HA H 1 4.201 0.05 . 2 . . . . . . . . 6396 1 777 . 1 1 74 74 LEU HB2 H 1 1.312 0.05 . 2 . . . . . . . . 6396 1 778 . 1 1 74 74 LEU HB3 H 1 1.809 0.05 . 2 . . . . . . . . 6396 1 779 . 1 1 74 74 LEU HG H 1 1.563 0.05 . 2 . . . . . . . . 6396 1 780 . 1 1 74 74 LEU H H 1 9.064 0.05 . 1 . . . . . . . . 6396 1 781 . 1 1 74 74 LEU N N 15 122.986 0.15 . 1 . . . . . . . . 6396 1 782 . 1 1 74 74 LEU HD11 H 1 0.933 0.05 . 2 . . . . . . . . 6396 1 783 . 1 1 74 74 LEU HD12 H 1 0.933 0.05 . 2 . . . . . . . . 6396 1 784 . 1 1 74 74 LEU HD13 H 1 0.933 0.05 . 2 . . . . . . . . 6396 1 785 . 1 1 74 74 LEU HD21 H 1 0.803 0.05 . 2 . . . . . . . . 6396 1 786 . 1 1 74 74 LEU HD22 H 1 0.803 0.05 . 2 . . . . . . . . 6396 1 787 . 1 1 74 74 LEU HD23 H 1 0.803 0.05 . 2 . . . . . . . . 6396 1 788 . 1 1 75 75 THR C C 13 174.805 0.15 . 1 . . . . . . . . 6396 1 789 . 1 1 75 75 THR CA C 13 63.178 0.15 . 1 . . . . . . . . 6396 1 790 . 1 1 75 75 THR CB C 13 69.532 0.15 . 1 . . . . . . . . 6396 1 791 . 1 1 75 75 THR CG2 C 13 22.605 0.15 . 1 . . . . . . . . 6396 1 792 . 1 1 75 75 THR HA H 1 4.597 0.05 . 2 . . . . . . . . 6396 1 793 . 1 1 75 75 THR HB H 1 4.085 0.05 . 2 . . . . . . . . 6396 1 794 . 1 1 75 75 THR H H 1 9.544 0.05 . 1 . . . . . . . . 6396 1 795 . 1 1 75 75 THR N N 15 119.226 0.15 . 1 . . . . . . . . 6396 1 796 . 1 1 75 75 THR HG21 H 1 1.175 0.05 . 1 . . . . . . . . 6396 1 797 . 1 1 75 75 THR HG22 H 1 1.175 0.05 . 1 . . . . . . . . 6396 1 798 . 1 1 75 75 THR HG23 H 1 1.175 0.05 . 1 . . . . . . . . 6396 1 799 . 1 1 76 76 PHE C C 13 172.933 0.15 . 1 . . . . . . . . 6396 1 800 . 1 1 76 76 PHE CA C 13 59.300 0.15 . 1 . . . . . . . . 6396 1 801 . 1 1 76 76 PHE CB C 13 42.528 0.15 . 1 . . . . . . . . 6396 1 802 . 1 1 76 76 PHE HA H 1 5.050 0.05 . 2 . . . . . . . . 6396 1 803 . 1 1 76 76 PHE HB2 H 1 3.111 0.05 . 2 . . . . . . . . 6396 1 804 . 1 1 76 76 PHE HB3 H 1 3.457 0.05 . 2 . . . . . . . . 6396 1 805 . 1 1 76 76 PHE H H 1 8.006 0.05 . 1 . . . . . . . . 6396 1 806 . 1 1 76 76 PHE N N 15 117.923 0.15 . 1 . . . . . . . . 6396 1 807 . 1 1 76 76 PHE HD1 H 1 7.266 0.05 . 4 . . . . . . . . 6396 1 808 . 1 1 77 77 LEU C C 13 174.009 0.15 . 1 . . . . . . . . 6396 1 809 . 1 1 77 77 LEU CA C 13 54.059 0.15 . 1 . . . . . . . . 6396 1 810 . 1 1 77 77 LEU CB C 13 47.138 0.15 . 1 . . . . . . . . 6396 1 811 . 1 1 77 77 LEU CD1 C 13 25.593 0.15 . 1 . . . . . . . . 6396 1 812 . 1 1 77 77 LEU CD2 C 13 26.716 0.15 . 1 . . . . . . . . 6396 1 813 . 1 1 77 77 LEU CG C 13 27.508 0.15 . 1 . . . . . . . . 6396 1 814 . 1 1 77 77 LEU HA H 1 5.394 0.05 . 2 . . . . . . . . 6396 1 815 . 1 1 77 77 LEU HB2 H 1 1.701 0.05 . 2 . . . . . . . . 6396 1 816 . 1 1 77 77 LEU HB3 H 1 1.664 0.05 . 2 . . . . . . . . 6396 1 817 . 1 1 77 77 LEU HG H 1 1.731 0.05 . 2 . . . . . . . . 6396 1 818 . 1 1 77 77 LEU H H 1 8.586 0.05 . 1 . . . . . . . . 6396 1 819 . 1 1 77 77 LEU N N 15 123.574 0.15 . 1 . . . . . . . . 6396 1 820 . 1 1 77 77 LEU HD11 H 1 0.934 0.05 . 2 . . . . . . . . 6396 1 821 . 1 1 77 77 LEU HD12 H 1 0.934 0.05 . 2 . . . . . . . . 6396 1 822 . 1 1 77 77 LEU HD13 H 1 0.934 0.05 . 2 . . . . . . . . 6396 1 823 . 1 1 77 77 LEU HD21 H 1 0.915 0.05 . 2 . . . . . . . . 6396 1 824 . 1 1 77 77 LEU HD22 H 1 0.915 0.05 . 2 . . . . . . . . 6396 1 825 . 1 1 77 77 LEU HD23 H 1 0.915 0.05 . 2 . . . . . . . . 6396 1 826 . 1 1 78 78 ARG C C 13 174.878 0.15 . 1 . . . . . . . . 6396 1 827 . 1 1 78 78 ARG CA C 13 55.368 0.15 . 1 . . . . . . . . 6396 1 828 . 1 1 78 78 ARG CB C 13 34.975 0.15 . 1 . . . . . . . . 6396 1 829 . 1 1 78 78 ARG CD C 13 43.775 0.15 . 1 . . . . . . . . 6396 1 830 . 1 1 78 78 ARG CG C 13 28.336 0.15 . 1 . . . . . . . . 6396 1 831 . 1 1 78 78 ARG HA H 1 5.524 0.05 . 2 . . . . . . . . 6396 1 832 . 1 1 78 78 ARG HB2 H 1 1.921 0.05 . 2 . . . . . . . . 6396 1 833 . 1 1 78 78 ARG HB3 H 1 2.010 0.05 . 2 . . . . . . . . 6396 1 834 . 1 1 78 78 ARG HD2 H 1 3.255 0.05 . 2 . . . . . . . . 6396 1 835 . 1 1 78 78 ARG HD3 H 1 3.447 0.05 . 2 . . . . . . . . 6396 1 836 . 1 1 78 78 ARG HE H 1 7.671 0.05 . 2 . . . . . . . . 6396 1 837 . 1 1 78 78 ARG HG2 H 1 1.788 0.05 . 2 . . . . . . . . 6396 1 838 . 1 1 78 78 ARG HG3 H 1 1.625 0.05 . 2 . . . . . . . . 6396 1 839 . 1 1 78 78 ARG H H 1 9.339 0.05 . 1 . . . . . . . . 6396 1 840 . 1 1 78 78 ARG N N 15 122.931 0.15 . 1 . . . . . . . . 6396 1 841 . 1 1 78 78 ARG NE N 15 83.819 0.15 . 1 . . . . . . . . 6396 1 842 . 1 1 78 78 ARG HH12 H 1 7.303 0.05 . 2 . . . . . . . . 6396 1 843 . 1 1 79 79 ILE C C 13 174.398 0.15 . 1 . . . . . . . . 6396 1 844 . 1 1 79 79 ILE CA C 13 60.406 0.15 . 1 . . . . . . . . 6396 1 845 . 1 1 79 79 ILE CB C 13 40.819 0.15 . 1 . . . . . . . . 6396 1 846 . 1 1 79 79 ILE CD1 C 13 14.684 0.15 . 1 . . . . . . . . 6396 1 847 . 1 1 79 79 ILE CG1 C 13 27.572 0.15 . 1 . . . . . . . . 6396 1 848 . 1 1 79 79 ILE CG2 C 13 17.649 0.15 . 1 . . . . . . . . 6396 1 849 . 1 1 79 79 ILE HA H 1 4.680 0.05 . 2 . . . . . . . . 6396 1 850 . 1 1 79 79 ILE HB H 1 1.918 0.05 . 2 . . . . . . . . 6396 1 851 . 1 1 79 79 ILE HG12 H 1 1.592 0.05 . 2 . . . . . . . . 6396 1 852 . 1 1 79 79 ILE HG13 H 1 0.911 0.05 . 2 . . . . . . . . 6396 1 853 . 1 1 79 79 ILE H H 1 9.640 0.05 . 1 . . . . . . . . 6396 1 854 . 1 1 79 79 ILE N N 15 124.975 0.15 . 1 . . . . . . . . 6396 1 855 . 1 1 79 79 ILE HD11 H 1 0.656 0.05 . 1 . . . . . . . . 6396 1 856 . 1 1 79 79 ILE HD12 H 1 0.656 0.05 . 1 . . . . . . . . 6396 1 857 . 1 1 79 79 ILE HD13 H 1 0.656 0.05 . 1 . . . . . . . . 6396 1 858 . 1 1 79 79 ILE HG21 H 1 0.796 0.05 . 1 . . . . . . . . 6396 1 859 . 1 1 79 79 ILE HG22 H 1 0.796 0.05 . 1 . . . . . . . . 6396 1 860 . 1 1 79 79 ILE HG23 H 1 0.796 0.05 . 1 . . . . . . . . 6396 1 861 . 1 1 80 80 ARG C C 13 173.926 0.15 . 1 . . . . . . . . 6396 1 862 . 1 1 80 80 ARG CA C 13 55.844 0.15 . 1 . . . . . . . . 6396 1 863 . 1 1 80 80 ARG CB C 13 32.192 0.15 . 1 . . . . . . . . 6396 1 864 . 1 1 80 80 ARG HA H 1 4.929 0.05 . 2 . . . . . . . . 6396 1 865 . 1 1 80 80 ARG HB2 H 1 1.666 0.05 . 2 . . . . . . . . 6396 1 866 . 1 1 80 80 ARG HD2 H 1 3.179 0.05 . 2 . . . . . . . . 6396 1 867 . 1 1 80 80 ARG HE H 1 7.451 0.05 . 2 . . . . . . . . 6396 1 868 . 1 1 80 80 ARG HG2 H 1 1.796 0.05 . 2 . . . . . . . . 6396 1 869 . 1 1 80 80 ARG H H 1 9.351 0.05 . 1 . . . . . . . . 6396 1 870 . 1 1 80 80 ARG N N 15 129.626 0.15 . 1 . . . . . . . . 6396 1 871 . 1 1 80 80 ARG NE N 15 84.657 0.15 . 1 . . . . . . . . 6396 1 872 . 1 1 80 80 ARG HH11 H 1 6.599 0.05 . 2 . . . . . . . . 6396 1 873 . 1 1 80 80 ARG HH12 H 1 6.724 0.05 . 2 . . . . . . . . 6396 1 874 . 1 1 81 81 SER C C 13 173.166 0.15 . 1 . . . . . . . . 6396 1 875 . 1 1 81 81 SER CA C 13 56.914 0.15 . 1 . . . . . . . . 6396 1 876 . 1 1 81 81 SER CB C 13 66.752 0.15 . 1 . . . . . . . . 6396 1 877 . 1 1 81 81 SER HA H 1 5.502 0.05 . 2 . . . . . . . . 6396 1 878 . 1 1 81 81 SER HB2 H 1 3.722 0.05 . 2 . . . . . . . . 6396 1 879 . 1 1 81 81 SER HG H 1 5.363 0.05 . 2 . . . . . . . . 6396 1 880 . 1 1 81 81 SER H H 1 9.290 0.05 . 1 . . . . . . . . 6396 1 881 . 1 1 81 81 SER N N 15 124.716 0.15 . 1 . . . . . . . . 6396 1 882 . 1 1 82 82 LYS C C 13 178.530 0.15 . 1 . . . . . . . . 6396 1 883 . 1 1 82 82 LYS CA C 13 59.323 0.15 . 1 . . . . . . . . 6396 1 884 . 1 1 82 82 LYS CB C 13 32.541 0.15 . 1 . . . . . . . . 6396 1 885 . 1 1 82 82 LYS CG C 13 25.606 0.15 . 1 . . . . . . . . 6396 1 886 . 1 1 82 82 LYS HA H 1 4.163 0.05 . 2 . . . . . . . . 6396 1 887 . 1 1 82 82 LYS HB2 H 1 2.054 0.05 . 2 . . . . . . . . 6396 1 888 . 1 1 82 82 LYS HB3 H 1 2.167 0.05 . 2 . . . . . . . . 6396 1 889 . 1 1 82 82 LYS HG2 H 1 1.487 0.05 . 2 . . . . . . . . 6396 1 890 . 1 1 82 82 LYS HG3 H 1 1.631 0.05 . 2 . . . . . . . . 6396 1 891 . 1 1 82 82 LYS H H 1 8.278 0.05 . 1 . . . . . . . . 6396 1 892 . 1 1 82 82 LYS N N 15 118.524 0.15 . 1 . . . . . . . . 6396 1 893 . 1 1 83 83 LYS C C 13 176.215 0.15 . 1 . . . . . . . . 6396 1 894 . 1 1 83 83 LYS CA C 13 56.839 0.15 . 1 . . . . . . . . 6396 1 895 . 1 1 83 83 LYS CB C 13 35.334 0.15 . 1 . . . . . . . . 6396 1 896 . 1 1 83 83 LYS CD C 13 29.195 0.15 . 1 . . . . . . . . 6396 1 897 . 1 1 83 83 LYS CE C 13 42.248 0.15 . 1 . . . . . . . . 6396 1 898 . 1 1 83 83 LYS CG C 13 25.557 0.15 . 1 . . . . . . . . 6396 1 899 . 1 1 83 83 LYS HA H 1 4.392 0.05 . 2 . . . . . . . . 6396 1 900 . 1 1 83 83 LYS HB2 H 1 1.493 0.05 . 2 . . . . . . . . 6396 1 901 . 1 1 83 83 LYS HB3 H 1 1.900 0.05 . 2 . . . . . . . . 6396 1 902 . 1 1 83 83 LYS HD2 H 1 1.565 0.05 . 2 . . . . . . . . 6396 1 903 . 1 1 83 83 LYS HE2 H 1 2.779 0.05 . 2 . . . . . . . . 6396 1 904 . 1 1 83 83 LYS HG2 H 1 1.295 0.05 . 2 . . . . . . . . 6396 1 905 . 1 1 83 83 LYS H H 1 7.931 0.05 . 1 . . . . . . . . 6396 1 906 . 1 1 83 83 LYS N N 15 113.307 0.15 . 1 . . . . . . . . 6396 1 907 . 1 1 84 84 ASN C C 13 172.737 0.15 . 1 . . . . . . . . 6396 1 908 . 1 1 84 84 ASN CA C 13 52.768 0.15 . 1 . . . . . . . . 6396 1 909 . 1 1 84 84 ASN CB C 13 39.575 0.15 . 1 . . . . . . . . 6396 1 910 . 1 1 84 84 ASN HA H 1 4.680 0.05 . 2 . . . . . . . . 6396 1 911 . 1 1 84 84 ASN HB2 H 1 2.763 0.05 . 2 . . . . . . . . 6396 1 912 . 1 1 84 84 ASN HB3 H 1 3.227 0.05 . 2 . . . . . . . . 6396 1 913 . 1 1 84 84 ASN HD21 H 1 6.468 0.05 . 2 . . . . . . . . 6396 1 914 . 1 1 84 84 ASN HD22 H 1 7.545 0.05 . 2 . . . . . . . . 6396 1 915 . 1 1 84 84 ASN H H 1 7.759 0.05 . 1 . . . . . . . . 6396 1 916 . 1 1 84 84 ASN N N 15 113.052 0.15 . 1 . . . . . . . . 6396 1 917 . 1 1 84 84 ASN ND2 N 15 111.968 0.15 . 1 . . . . . . . . 6396 1 918 . 1 1 85 85 GLU C C 13 173.813 0.15 . 1 . . . . . . . . 6396 1 919 . 1 1 85 85 GLU CA C 13 55.343 0.15 . 1 . . . . . . . . 6396 1 920 . 1 1 85 85 GLU CB C 13 33.793 0.15 . 1 . . . . . . . . 6396 1 921 . 1 1 85 85 GLU CG C 13 37.122 0.15 . 1 . . . . . . . . 6396 1 922 . 1 1 85 85 GLU HA H 1 5.284 0.05 . 2 . . . . . . . . 6396 1 923 . 1 1 85 85 GLU HB2 H 1 1.979 0.05 . 2 . . . . . . . . 6396 1 924 . 1 1 85 85 GLU HG2 H 1 2.142 0.05 . 2 . . . . . . . . 6396 1 925 . 1 1 85 85 GLU H H 1 9.065 0.05 . 1 . . . . . . . . 6396 1 926 . 1 1 85 85 GLU N N 15 118.444 0.15 . 1 . . . . . . . . 6396 1 927 . 1 1 86 86 ILE C C 13 174.953 0.15 . 1 . . . . . . . . 6396 1 928 . 1 1 86 86 ILE CA C 13 59.854 0.15 . 1 . . . . . . . . 6396 1 929 . 1 1 86 86 ILE CB C 13 41.409 0.15 . 1 . . . . . . . . 6396 1 930 . 1 1 86 86 ILE CD1 C 13 14.334 0.15 . 1 . . . . . . . . 6396 1 931 . 1 1 86 86 ILE CG1 C 13 26.853 0.15 . 1 . . . . . . . . 6396 1 932 . 1 1 86 86 ILE CG2 C 13 18.155 0.15 . 1 . . . . . . . . 6396 1 933 . 1 1 86 86 ILE HA H 1 5.080 0.05 . 2 . . . . . . . . 6396 1 934 . 1 1 86 86 ILE HB H 1 1.685 0.05 . 2 . . . . . . . . 6396 1 935 . 1 1 86 86 ILE HG12 H 1 1.252 0.05 . 2 . . . . . . . . 6396 1 936 . 1 1 86 86 ILE H H 1 9.066 0.05 . 1 . . . . . . . . 6396 1 937 . 1 1 86 86 ILE N N 15 124.730 0.15 . 1 . . . . . . . . 6396 1 938 . 1 1 86 86 ILE HD11 H 1 0.892 0.05 . 1 . . . . . . . . 6396 1 939 . 1 1 86 86 ILE HD12 H 1 0.892 0.05 . 1 . . . . . . . . 6396 1 940 . 1 1 86 86 ILE HD13 H 1 0.892 0.05 . 1 . . . . . . . . 6396 1 941 . 1 1 86 86 ILE HG21 H 1 0.836 0.05 . 1 . . . . . . . . 6396 1 942 . 1 1 86 86 ILE HG22 H 1 0.836 0.05 . 1 . . . . . . . . 6396 1 943 . 1 1 86 86 ILE HG23 H 1 0.836 0.05 . 1 . . . . . . . . 6396 1 944 . 1 1 87 87 MET C C 13 174.649 0.15 . 1 . . . . . . . . 6396 1 945 . 1 1 87 87 MET CA C 13 53.970 0.15 . 1 . . . . . . . . 6396 1 946 . 1 1 87 87 MET CB C 13 35.597 0.15 . 1 . . . . . . . . 6396 1 947 . 1 1 87 87 MET CE C 13 17.338 0.15 . 1 . . . . . . . . 6396 1 948 . 1 1 87 87 MET HA H 1 5.392 0.05 . 2 . . . . . . . . 6396 1 949 . 1 1 87 87 MET HB2 H 1 2.088 0.05 . 2 . . . . . . . . 6396 1 950 . 1 1 87 87 MET H H 1 9.477 0.05 . 1 . . . . . . . . 6396 1 951 . 1 1 87 87 MET N N 15 127.427 0.15 . 1 . . . . . . . . 6396 1 952 . 1 1 87 87 MET HE1 H 1 1.977 0.05 . 1 . . . . . . . . 6396 1 953 . 1 1 87 87 MET HE2 H 1 1.977 0.05 . 1 . . . . . . . . 6396 1 954 . 1 1 87 87 MET HE3 H 1 1.977 0.05 . 1 . . . . . . . . 6396 1 955 . 1 1 88 88 VAL C C 13 173.924 0.15 . 1 . . . . . . . . 6396 1 956 . 1 1 88 88 VAL CA C 13 60.483 0.15 . 1 . . . . . . . . 6396 1 957 . 1 1 88 88 VAL CB C 13 34.497 0.15 . 1 . . . . . . . . 6396 1 958 . 1 1 88 88 VAL CG2 C 13 21.620 0.15 . 1 . . . . . . . . 6396 1 959 . 1 1 88 88 VAL HA H 1 5.382 0.05 . 2 . . . . . . . . 6396 1 960 . 1 1 88 88 VAL HB H 1 2.001 0.05 . 2 . . . . . . . . 6396 1 961 . 1 1 88 88 VAL H H 1 8.989 0.05 . 1 . . . . . . . . 6396 1 962 . 1 1 88 88 VAL N N 15 122.916 0.15 . 1 . . . . . . . . 6396 1 963 . 1 1 88 88 VAL HG11 H 1 0.867 0.05 . 2 . . . . . . . . 6396 1 964 . 1 1 88 88 VAL HG12 H 1 0.867 0.05 . 2 . . . . . . . . 6396 1 965 . 1 1 88 88 VAL HG13 H 1 0.867 0.05 . 2 . . . . . . . . 6396 1 966 . 1 1 88 88 VAL HG21 H 1 0.901 0.05 . 2 . . . . . . . . 6396 1 967 . 1 1 88 88 VAL HG22 H 1 0.901 0.05 . 2 . . . . . . . . 6396 1 968 . 1 1 88 88 VAL HG23 H 1 0.901 0.05 . 2 . . . . . . . . 6396 1 969 . 1 1 89 89 ALA CA C 13 48.523 0.15 . 1 . . . . . . . . 6396 1 970 . 1 1 89 89 ALA CB C 13 21.924 0.15 . 1 . . . . . . . . 6396 1 971 . 1 1 89 89 ALA HA H 1 5.277 0.05 . 2 . . . . . . . . 6396 1 972 . 1 1 89 89 ALA H H 1 8.956 0.05 . 1 . . . . . . . . 6396 1 973 . 1 1 89 89 ALA N N 15 128.356 0.15 . 1 . . . . . . . . 6396 1 974 . 1 1 89 89 ALA HB1 H 1 1.559 0.05 . 1 . . . . . . . . 6396 1 975 . 1 1 89 89 ALA HB2 H 1 1.559 0.05 . 1 . . . . . . . . 6396 1 976 . 1 1 89 89 ALA HB3 H 1 1.559 0.05 . 1 . . . . . . . . 6396 1 977 . 1 1 90 90 PRO C C 13 176.009 0.15 . 1 . . . . . . . . 6396 1 978 . 1 1 90 90 PRO CA C 13 62.318 0.15 . 1 . . . . . . . . 6396 1 979 . 1 1 90 90 PRO CB C 13 32.449 0.15 . 1 . . . . . . . . 6396 1 980 . 1 1 90 90 PRO CD C 13 51.225 0.15 . 1 . . . . . . . . 6396 1 981 . 1 1 90 90 PRO HA H 1 4.603 0.05 . 2 . . . . . . . . 6396 1 982 . 1 1 90 90 PRO HB2 H 1 2.041 0.05 . 2 . . . . . . . . 6396 1 983 . 1 1 90 90 PRO HD2 H 1 3.636 0.05 . 2 . . . . . . . . 6396 1 984 . 1 1 90 90 PRO HD3 H 1 4.105 0.05 . 2 . . . . . . . . 6396 1 985 . 1 1 91 91 ASP C C 13 174.380 0.15 . 1 . . . . . . . . 6396 1 986 . 1 1 91 91 ASP CA C 13 53.408 0.15 . 1 . . . . . . . . 6396 1 987 . 1 1 91 91 ASP CB C 13 41.409 0.15 . 1 . . . . . . . . 6396 1 988 . 1 1 91 91 ASP HA H 1 4.632 0.05 . 2 . . . . . . . . 6396 1 989 . 1 1 91 91 ASP HB2 H 1 2.468 0.05 . 2 . . . . . . . . 6396 1 990 . 1 1 91 91 ASP H H 1 8.184 0.05 . 1 . . . . . . . . 6396 1 991 . 1 1 91 91 ASP N N 15 122.130 0.15 . 1 . . . . . . . . 6396 1 992 . 1 1 92 92 LYS C C 13 176.417 0.15 . 1 . . . . . . . . 6396 1 993 . 1 1 92 92 LYS CA C 13 58.519 0.15 . 1 . . . . . . . . 6396 1 994 . 1 1 92 92 LYS CB C 13 29.991 0.15 . 1 . . . . . . . . 6396 1 995 . 1 1 92 92 LYS CD C 13 28.980 0.15 . 1 . . . . . . . . 6396 1 996 . 1 1 92 92 LYS CE C 13 42.075 0.15 . 1 . . . . . . . . 6396 1 997 . 1 1 92 92 LYS CG C 13 24.850 0.15 . 1 . . . . . . . . 6396 1 998 . 1 1 92 92 LYS HA H 1 3.770 0.05 . 2 . . . . . . . . 6396 1 999 . 1 1 92 92 LYS HB2 H 1 1.964 0.05 . 2 . . . . . . . . 6396 1 1000 . 1 1 92 92 LYS HB3 H 1 1.786 0.05 . 2 . . . . . . . . 6396 1 1001 . 1 1 92 92 LYS HD2 H 1 1.669 0.05 . 2 . . . . . . . . 6396 1 1002 . 1 1 92 92 LYS HE2 H 1 2.988 0.05 . 2 . . . . . . . . 6396 1 1003 . 1 1 92 92 LYS HG2 H 1 1.439 0.05 . 2 . . . . . . . . 6396 1 1004 . 1 1 92 92 LYS HG3 H 1 1.481 0.05 . 2 . . . . . . . . 6396 1 1005 . 1 1 92 92 LYS H H 1 9.104 0.05 . 1 . . . . . . . . 6396 1 1006 . 1 1 92 92 LYS N N 15 122.452 0.15 . 1 . . . . . . . . 6396 1 1007 . 1 1 93 93 ASP C C 13 173.958 0.15 . 1 . . . . . . . . 6396 1 1008 . 1 1 93 93 ASP CA C 13 54.251 0.15 . 1 . . . . . . . . 6396 1 1009 . 1 1 93 93 ASP CB C 13 40.272 0.15 . 1 . . . . . . . . 6396 1 1010 . 1 1 93 93 ASP HA H 1 4.627 0.05 . 2 . . . . . . . . 6396 1 1011 . 1 1 93 93 ASP HB2 H 1 2.452 0.05 . 2 . . . . . . . . 6396 1 1012 . 1 1 93 93 ASP HB3 H 1 2.677 0.05 . 2 . . . . . . . . 6396 1 1013 . 1 1 93 93 ASP H H 1 8.186 0.05 . 2 . . . . . . . . 6396 1 1014 . 1 1 93 93 ASP N N 15 120.469 0.15 . 1 . . . . . . . . 6396 1 1015 . 1 1 94 94 TYR C C 13 175.258 0.15 . 1 . . . . . . . . 6396 1 1016 . 1 1 94 94 TYR CA C 13 55.227 0.15 . 1 . . . . . . . . 6396 1 1017 . 1 1 94 94 TYR CB C 13 40.926 0.15 . 1 . . . . . . . . 6396 1 1018 . 1 1 94 94 TYR HA H 1 5.198 0.05 . 2 . . . . . . . . 6396 1 1019 . 1 1 94 94 TYR HB2 H 1 3.098 0.05 . 2 . . . . . . . . 6396 1 1020 . 1 1 94 94 TYR HB3 H 1 2.842 0.05 . 2 . . . . . . . . 6396 1 1021 . 1 1 94 94 TYR H H 1 7.743 0.05 . 1 . . . . . . . . 6396 1 1022 . 1 1 94 94 TYR N N 15 116.047 0.15 . 1 . . . . . . . . 6396 1 1023 . 1 1 94 94 TYR HD1 H 1 6.833 0.05 . 4 . . . . . . . . 6396 1 1024 . 1 1 95 95 PHE C C 13 173.403 0.15 . 1 . . . . . . . . 6396 1 1025 . 1 1 95 95 PHE CA C 13 57.422 0.15 . 1 . . . . . . . . 6396 1 1026 . 1 1 95 95 PHE CB C 13 41.658 0.15 . 1 . . . . . . . . 6396 1 1027 . 1 1 95 95 PHE HA H 1 5.021 0.05 . 2 . . . . . . . . 6396 1 1028 . 1 1 95 95 PHE HB2 H 1 2.715 0.05 . 2 . . . . . . . . 6396 1 1029 . 1 1 95 95 PHE HB3 H 1 2.792 0.05 . 2 . . . . . . . . 6396 1 1030 . 1 1 95 95 PHE H H 1 9.275 0.05 . 1 . . . . . . . . 6396 1 1031 . 1 1 95 95 PHE N N 15 116.268 0.15 . 1 . . . . . . . . 6396 1 1032 . 1 1 95 95 PHE HD1 H 1 6.908 0.05 . 4 . . . . . . . . 6396 1 1033 . 1 1 96 96 LEU C C 13 175.001 0.15 . 1 . . . . . . . . 6396 1 1034 . 1 1 96 96 LEU CA C 13 54.325 0.15 . 1 . . . . . . . . 6396 1 1035 . 1 1 96 96 LEU CB C 13 43.583 0.15 . 1 . . . . . . . . 6396 1 1036 . 1 1 96 96 LEU CD1 C 13 25.518 0.15 . 1 . . . . . . . . 6396 1 1037 . 1 1 96 96 LEU CD2 C 13 25.476 0.15 . 1 . . . . . . . . 6396 1 1038 . 1 1 96 96 LEU CG C 13 28.256 0.15 . 1 . . . . . . . . 6396 1 1039 . 1 1 96 96 LEU HA H 1 4.947 0.05 . 2 . . . . . . . . 6396 1 1040 . 1 1 96 96 LEU HB2 H 1 1.530 0.05 . 2 . . . . . . . . 6396 1 1041 . 1 1 96 96 LEU HB3 H 1 1.857 0.05 . 2 . . . . . . . . 6396 1 1042 . 1 1 96 96 LEU HG H 1 1.718 0.05 . 2 . . . . . . . . 6396 1 1043 . 1 1 96 96 LEU H H 1 8.973 0.05 . 1 . . . . . . . . 6396 1 1044 . 1 1 96 96 LEU N N 15 123.702 0.15 . 1 . . . . . . . . 6396 1 1045 . 1 1 96 96 LEU HD11 H 1 0.872 0.05 . 2 . . . . . . . . 6396 1 1046 . 1 1 96 96 LEU HD12 H 1 0.872 0.05 . 2 . . . . . . . . 6396 1 1047 . 1 1 96 96 LEU HD13 H 1 0.872 0.05 . 2 . . . . . . . . 6396 1 1048 . 1 1 96 96 LEU HD21 H 1 0.919 0.05 . 2 . . . . . . . . 6396 1 1049 . 1 1 96 96 LEU HD22 H 1 0.919 0.05 . 2 . . . . . . . . 6396 1 1050 . 1 1 96 96 LEU HD23 H 1 0.919 0.05 . 2 . . . . . . . . 6396 1 1051 . 1 1 97 97 ILE C C 13 174.288 0.15 . 1 . . . . . . . . 6396 1 1052 . 1 1 97 97 ILE CA C 13 60.554 0.15 . 1 . . . . . . . . 6396 1 1053 . 1 1 97 97 ILE CB C 13 39.477 0.15 . 1 . . . . . . . . 6396 1 1054 . 1 1 97 97 ILE CD1 C 13 15.077 0.15 . 1 . . . . . . . . 6396 1 1055 . 1 1 97 97 ILE CG1 C 13 27.565 0.15 . 1 . . . . . . . . 6396 1 1056 . 1 1 97 97 ILE CG2 C 13 17.678 0.15 . 1 . . . . . . . . 6396 1 1057 . 1 1 97 97 ILE HA H 1 4.916 0.05 . 2 . . . . . . . . 6396 1 1058 . 1 1 97 97 ILE HB H 1 2.043 0.05 . 2 . . . . . . . . 6396 1 1059 . 1 1 97 97 ILE HG12 H 1 1.741 0.05 . 2 . . . . . . . . 6396 1 1060 . 1 1 97 97 ILE H H 1 9.346 0.05 . 1 . . . . . . . . 6396 1 1061 . 1 1 97 97 ILE N N 15 124.128 0.15 . 1 . . . . . . . . 6396 1 1062 . 1 1 97 97 ILE HD11 H 1 0.841 0.05 . 1 . . . . . . . . 6396 1 1063 . 1 1 97 97 ILE HD12 H 1 0.841 0.05 . 1 . . . . . . . . 6396 1 1064 . 1 1 97 97 ILE HD13 H 1 0.841 0.05 . 1 . . . . . . . . 6396 1 1065 . 1 1 97 97 ILE HG21 H 1 0.726 0.05 . 1 . . . . . . . . 6396 1 1066 . 1 1 97 97 ILE HG22 H 1 0.726 0.05 . 1 . . . . . . . . 6396 1 1067 . 1 1 97 97 ILE HG23 H 1 0.726 0.05 . 1 . . . . . . . . 6396 1 1068 . 1 1 98 98 VAL C C 13 174.462 0.15 . 1 . . . . . . . . 6396 1 1069 . 1 1 98 98 VAL CA C 13 61.182 0.15 . 1 . . . . . . . . 6396 1 1070 . 1 1 98 98 VAL CB C 13 34.718 0.15 . 1 . . . . . . . . 6396 1 1071 . 1 1 98 98 VAL CG1 C 13 21.775 0.15 . 1 . . . . . . . . 6396 1 1072 . 1 1 98 98 VAL HA H 1 4.682 0.05 . 2 . . . . . . . . 6396 1 1073 . 1 1 98 98 VAL HB H 1 2.076 0.05 . 2 . . . . . . . . 6396 1 1074 . 1 1 98 98 VAL H H 1 9.371 0.05 . 1 . . . . . . . . 6396 1 1075 . 1 1 98 98 VAL N N 15 126.870 0.15 . 1 . . . . . . . . 6396 1 1076 . 1 1 98 98 VAL HG11 H 1 0.958 0.05 . 2 . . . . . . . . 6396 1 1077 . 1 1 98 98 VAL HG12 H 1 0.958 0.05 . 2 . . . . . . . . 6396 1 1078 . 1 1 98 98 VAL HG13 H 1 0.958 0.05 . 2 . . . . . . . . 6396 1 1079 . 1 1 99 99 ILE C C 13 175.584 0.15 . 1 . . . . . . . . 6396 1 1080 . 1 1 99 99 ILE CA C 13 60.893 0.15 . 1 . . . . . . . . 6396 1 1081 . 1 1 99 99 ILE CB C 13 39.118 0.15 . 1 . . . . . . . . 6396 1 1082 . 1 1 99 99 ILE CD1 C 13 14.268 0.15 . 1 . . . . . . . . 6396 1 1083 . 1 1 99 99 ILE CG1 C 13 29.009 0.15 . 1 . . . . . . . . 6396 1 1084 . 1 1 99 99 ILE CG2 C 13 18.812 0.15 . 1 . . . . . . . . 6396 1 1085 . 1 1 99 99 ILE HA H 1 4.747 0.05 . 2 . . . . . . . . 6396 1 1086 . 1 1 99 99 ILE HB H 1 1.489 0.05 . 2 . . . . . . . . 6396 1 1087 . 1 1 99 99 ILE HG12 H 1 1.080 0.05 . 2 . . . . . . . . 6396 1 1088 . 1 1 99 99 ILE HG13 H 1 0.767 0.05 . 2 . . . . . . . . 6396 1 1089 . 1 1 99 99 ILE H H 1 8.716 0.05 . 1 . . . . . . . . 6396 1 1090 . 1 1 99 99 ILE N N 15 127.615 0.15 . 1 . . . . . . . . 6396 1 1091 . 1 1 99 99 ILE HD11 H 1 0.171 0.05 . 1 . . . . . . . . 6396 1 1092 . 1 1 99 99 ILE HD12 H 1 0.171 0.05 . 1 . . . . . . . . 6396 1 1093 . 1 1 99 99 ILE HD13 H 1 0.171 0.05 . 1 . . . . . . . . 6396 1 1094 . 1 1 99 99 ILE HG21 H 1 0.745 0.05 . 1 . . . . . . . . 6396 1 1095 . 1 1 99 99 ILE HG22 H 1 0.745 0.05 . 1 . . . . . . . . 6396 1 1096 . 1 1 99 99 ILE HG23 H 1 0.745 0.05 . 1 . . . . . . . . 6396 1 1097 . 1 1 100 100 GLN C C 13 174.195 0.15 . 1 . . . . . . . . 6396 1 1098 . 1 1 100 100 GLN CA C 13 53.903 0.15 . 1 . . . . . . . . 6396 1 1099 . 1 1 100 100 GLN CB C 13 33.749 0.15 . 1 . . . . . . . . 6396 1 1100 . 1 1 100 100 GLN CG C 13 33.488 0.15 . 1 . . . . . . . . 6396 1 1101 . 1 1 100 100 GLN HA H 1 5.294 0.05 . 2 . . . . . . . . 6396 1 1102 . 1 1 100 100 GLN HB2 H 1 2.002 0.05 . 2 . . . . . . . . 6396 1 1103 . 1 1 100 100 GLN HB3 H 1 2.116 0.05 . 2 . . . . . . . . 6396 1 1104 . 1 1 100 100 GLN HE21 H 1 6.631 0.05 . 2 . . . . . . . . 6396 1 1105 . 1 1 100 100 GLN HE22 H 1 7.309 0.05 . 2 . . . . . . . . 6396 1 1106 . 1 1 100 100 GLN HG2 H 1 2.247 0.05 . 2 . . . . . . . . 6396 1 1107 . 1 1 100 100 GLN HG3 H 1 2.382 0.05 . 2 . . . . . . . . 6396 1 1108 . 1 1 100 100 GLN H H 1 9.585 0.05 . 1 . . . . . . . . 6396 1 1109 . 1 1 100 100 GLN N N 15 125.914 0.15 . 1 . . . . . . . . 6396 1 1110 . 1 1 100 100 GLN NE2 N 15 109.184 0.15 . 1 . . . . . . . . 6396 1 1111 . 1 1 101 101 ASN CA C 13 51.416 0.15 . 1 . . . . . . . . 6396 1 1112 . 1 1 101 101 ASN CB C 13 37.590 0.15 . 1 . . . . . . . . 6396 1 1113 . 1 1 101 101 ASN HA H 1 4.965 0.05 . 2 . . . . . . . . 6396 1 1114 . 1 1 101 101 ASN HB2 H 1 2.771 0.05 . 2 . . . . . . . . 6396 1 1115 . 1 1 101 101 ASN HB3 H 1 2.985 0.05 . 2 . . . . . . . . 6396 1 1116 . 1 1 101 101 ASN HD21 H 1 6.974 0.05 . 2 . . . . . . . . 6396 1 1117 . 1 1 101 101 ASN HD22 H 1 7.694 0.05 . 2 . . . . . . . . 6396 1 1118 . 1 1 101 101 ASN H H 1 8.805 0.05 . 1 . . . . . . . . 6396 1 1119 . 1 1 101 101 ASN N N 15 120.943 0.15 . 1 . . . . . . . . 6396 1 1120 . 1 1 101 101 ASN ND2 N 15 111.131 0.15 . 1 . . . . . . . . 6396 1 1121 . 1 1 102 102 PRO C C 13 176.946 0.15 . 1 . . . . . . . . 6396 1 1122 . 1 1 102 102 PRO CA C 13 63.458 0.15 . 1 . . . . . . . . 6396 1 1123 . 1 1 102 102 PRO CB C 13 32.037 0.15 . 1 . . . . . . . . 6396 1 1124 . 1 1 102 102 PRO CD C 13 50.431 0.15 . 1 . . . . . . . . 6396 1 1125 . 1 1 102 102 PRO CG C 13 27.643 0.15 . 1 . . . . . . . . 6396 1 1126 . 1 1 102 102 PRO HA H 1 4.537 0.05 . 2 . . . . . . . . 6396 1 1127 . 1 1 102 102 PRO HB2 H 1 2.020 0.05 . 2 . . . . . . . . 6396 1 1128 . 1 1 102 102 PRO HB3 H 1 2.141 0.05 . 2 . . . . . . . . 6396 1 1129 . 1 1 102 102 PRO HD2 H 1 3.713 0.05 . 2 . . . . . . . . 6396 1 1130 . 1 1 102 102 PRO HD3 H 1 3.812 0.05 . 2 . . . . . . . . 6396 1 1131 . 1 1 102 102 PRO HG2 H 1 1.825 0.05 . 2 . . . . . . . . 6396 1 1132 . 1 1 103 103 THR C C 13 173.737 0.15 . 1 . . . . . . . . 6396 1 1133 . 1 1 103 103 THR CA C 13 61.962 0.15 . 1 . . . . . . . . 6396 1 1134 . 1 1 103 103 THR CB C 13 70.183 0.15 . 1 . . . . . . . . 6396 1 1135 . 1 1 103 103 THR CG2 C 13 21.754 0.15 . 1 . . . . . . . . 6396 1 1136 . 1 1 103 103 THR HA H 1 4.318 0.05 . 2 . . . . . . . . 6396 1 1137 . 1 1 103 103 THR HB H 1 4.270 0.05 . 2 . . . . . . . . 6396 1 1138 . 1 1 103 103 THR H H 1 8.334 0.05 . 1 . . . . . . . . 6396 1 1139 . 1 1 103 103 THR N N 15 115.399 0.15 . 1 . . . . . . . . 6396 1 1140 . 1 1 103 103 THR HG21 H 1 1.218 0.05 . 1 . . . . . . . . 6396 1 1141 . 1 1 103 103 THR HG22 H 1 1.218 0.05 . 1 . . . . . . . . 6396 1 1142 . 1 1 103 103 THR HG23 H 1 1.218 0.05 . 1 . . . . . . . . 6396 1 1143 . 1 1 104 104 GLU CA C 13 57.872 0.15 . 1 . . . . . . . . 6396 1 1144 . 1 1 104 104 GLU CB C 13 31.003 0.15 . 1 . . . . . . . . 6396 1 1145 . 1 1 104 104 GLU HA H 1 4.150 0.05 . 2 . . . . . . . . 6396 1 1146 . 1 1 104 104 GLU HB2 H 1 1.896 0.05 . 2 . . . . . . . . 6396 1 1147 . 1 1 104 104 GLU HB3 H 1 2.071 0.05 . 2 . . . . . . . . 6396 1 1148 . 1 1 104 104 GLU HG2 H 1 2.228 0.05 . 2 . . . . . . . . 6396 1 1149 . 1 1 104 104 GLU H H 1 7.942 0.05 . 1 . . . . . . . . 6396 1 1150 . 1 1 104 104 GLU N N 15 126.997 0.15 . 1 . . . . . . . . 6396 1 stop_ save_