data_10119 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10119 _Entry.Title ; DnaJ domain of human KIAA0730 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-02 _Entry.Accession_date 2007-04-03 _Entry.Last_release_date 2008-09-02 _Entry.Original_release_date 2008-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version production.3.0.2.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Kobayashi . . . 10119 2 S. Koshiba . . . 10119 3 T. Kigawa . . . 10119 4 S. Yokoyama . . . 10119 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10119 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10119 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 10119 '15N chemical shifts' 90 10119 '1H chemical shifts' 617 10119 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 . . 2008-09-02 2007-04-02 original author . 10119 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1IUR 'BMRB Entry Tracking System' 10119 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10119 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of DnaJ domain of human KIAA0730 protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Kobayashi . . . 10119 1 2 S. Koshiba . . . 10119 1 3 T. Kigawa . . . 10119 1 4 S. Yokoyama . . . 10119 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10119 _Assembly.ID 1 _Assembly.Name 'KIAA0730 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'KIAA0730 protein' 1 $entity_1 A . yes native no no . . . 10119 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1IUR . . 'solution NMR' . . . 10119 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10119 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DnaJ domain' _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 ; MHHHHHHLVPRGSILKEVTS VVEQAWKLPESERKKIIRRL YLKWHPDKNPENHDIANEVF KHLQNEINRLEKQAFLDQNA DRASRRTF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1IUR . "Dnaj Domain Of Human Kiaa0730 Protein" . . . . . 100.00 88 100.00 100.00 2.65e-56 . . . . 10119 1 2 no DBJ BAA34450 . "KIAA0730 protein [Homo sapiens]" . . . . . 85.23 1004 100.00 100.00 5.86e-42 . . . . 10119 1 3 no DBJ BAB39340 . "hypothetical protein [Macaca fascicularis]" . . . . . 85.23 638 100.00 100.00 5.48e-43 . . . . 10119 1 4 no DBJ BAD32289 . "mKIAA0730 protein [Mus musculus]" . . . . . 85.23 1024 100.00 100.00 6.32e-42 . . . . 10119 1 5 no GB AAF31262 . "sacsin [Homo sapiens]" . . . . . 85.23 3829 100.00 100.00 2.25e-41 . . . . 10119 1 6 no GB AAF31263 . "sacsin [Mus musculus]" . . . . . 85.23 3830 100.00 100.00 2.00e-41 . . . . 10119 1 7 no GB EAX08322 . "hCG1774880 [Homo sapiens]" . . . . . 85.23 3829 100.00 100.00 2.25e-41 . . . . 10119 1 8 no GB EDL36107 . "mCG7227 [Mus musculus]" . . . . . 85.23 3830 100.00 100.00 2.00e-41 . . . . 10119 1 9 no GB EDL85271 . "rCG52205 [Rattus norvegicus]" . . . . . 85.23 3830 100.00 100.00 2.27e-41 . . . . 10119 1 10 no REF NP_001264984 . "sacsin isoform 2 [Homo sapiens]" . . . . . 85.23 4432 100.00 100.00 2.44e-41 . . . . 10119 1 11 no REF NP_055178 . "sacsin isoform 1 [Homo sapiens]" . . . . . 85.23 4579 100.00 100.00 2.62e-41 . . . . 10119 1 12 no REF XP_001089964 . "PREDICTED: sacsin-like isoform 2 [Macaca mulatta]" . . . . . 85.23 4517 100.00 100.00 2.88e-41 . . . . 10119 1 13 no REF XP_002824122 . "PREDICTED: LOW QUALITY PROTEIN: sacsin [Pongo abelii]" . . . . . 85.23 4576 100.00 100.00 2.62e-41 . . . . 10119 1 14 no REF XP_003477292 . "PREDICTED: LOW QUALITY PROTEIN: sacsin [Cavia porcellus]" . . . . . 85.23 4430 97.33 98.67 8.75e-40 . . . . 10119 1 15 no SP Q9JLC8 . "RecName: Full=Sacsin; AltName: Full=DnaJ homolog subfamily C member 29; Short=DNAJC29" . . . . . 85.23 4582 100.00 100.00 2.57e-41 . . . . 10119 1 16 no SP Q9NZJ4 . "RecName: Full=Sacsin; AltName: Full=DnaJ homolog subfamily C member 29; Short=DNAJC29" . . . . . 85.23 4579 100.00 100.00 2.62e-41 . . . . 10119 1 17 no TPG DAA23892 . "TPA: hypothetical protein BOS_12530 [Bos taurus]" . . . . . 85.23 4575 97.33 100.00 2.75e-40 . . . . 10119 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DnaJ domain' . 10119 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 10119 1 2 . HIS . 10119 1 3 . HIS . 10119 1 4 . HIS . 10119 1 5 . HIS . 10119 1 6 . HIS . 10119 1 7 . HIS . 10119 1 8 . LEU . 10119 1 9 . VAL . 10119 1 10 . PRO . 10119 1 11 . ARG . 10119 1 12 . GLY . 10119 1 13 . SER . 10119 1 14 . ILE . 10119 1 15 . LEU . 10119 1 16 . LYS . 10119 1 17 . GLU . 10119 1 18 . VAL . 10119 1 19 . THR . 10119 1 20 . SER . 10119 1 21 . VAL . 10119 1 22 . VAL . 10119 1 23 . GLU . 10119 1 24 . GLN . 10119 1 25 . ALA . 10119 1 26 . TRP . 10119 1 27 . LYS . 10119 1 28 . LEU . 10119 1 29 . PRO . 10119 1 30 . GLU . 10119 1 31 . SER . 10119 1 32 . GLU . 10119 1 33 . ARG . 10119 1 34 . LYS . 10119 1 35 . LYS . 10119 1 36 . ILE . 10119 1 37 . ILE . 10119 1 38 . ARG . 10119 1 39 . ARG . 10119 1 40 . LEU . 10119 1 41 . TYR . 10119 1 42 . LEU . 10119 1 43 . LYS . 10119 1 44 . TRP . 10119 1 45 . HIS . 10119 1 46 . PRO . 10119 1 47 . ASP . 10119 1 48 . LYS . 10119 1 49 . ASN . 10119 1 50 . PRO . 10119 1 51 . GLU . 10119 1 52 . ASN . 10119 1 53 . HIS . 10119 1 54 . ASP . 10119 1 55 . ILE . 10119 1 56 . ALA . 10119 1 57 . ASN . 10119 1 58 . GLU . 10119 1 59 . VAL . 10119 1 60 . PHE . 10119 1 61 . LYS . 10119 1 62 . HIS . 10119 1 63 . LEU . 10119 1 64 . GLN . 10119 1 65 . ASN . 10119 1 66 . GLU . 10119 1 67 . ILE . 10119 1 68 . ASN . 10119 1 69 . ARG . 10119 1 70 . LEU . 10119 1 71 . GLU . 10119 1 72 . LYS . 10119 1 73 . GLN . 10119 1 74 . ALA . 10119 1 75 . PHE . 10119 1 76 . LEU . 10119 1 77 . ASP . 10119 1 78 . GLN . 10119 1 79 . ASN . 10119 1 80 . ALA . 10119 1 81 . ASP . 10119 1 82 . ARG . 10119 1 83 . ALA . 10119 1 84 . SER . 10119 1 85 . ARG . 10119 1 86 . ARG . 10119 1 87 . THR . 10119 1 88 . PHE . 10119 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 10119 1 . HIS 2 2 10119 1 . HIS 3 3 10119 1 . HIS 4 4 10119 1 . HIS 5 5 10119 1 . HIS 6 6 10119 1 . HIS 7 7 10119 1 . LEU 8 8 10119 1 . VAL 9 9 10119 1 . PRO 10 10 10119 1 . ARG 11 11 10119 1 . GLY 12 12 10119 1 . SER 13 13 10119 1 . ILE 14 14 10119 1 . LEU 15 15 10119 1 . LYS 16 16 10119 1 . GLU 17 17 10119 1 . VAL 18 18 10119 1 . THR 19 19 10119 1 . SER 20 20 10119 1 . VAL 21 21 10119 1 . VAL 22 22 10119 1 . GLU 23 23 10119 1 . GLN 24 24 10119 1 . ALA 25 25 10119 1 . TRP 26 26 10119 1 . LYS 27 27 10119 1 . LEU 28 28 10119 1 . PRO 29 29 10119 1 . GLU 30 30 10119 1 . SER 31 31 10119 1 . GLU 32 32 10119 1 . ARG 33 33 10119 1 . LYS 34 34 10119 1 . LYS 35 35 10119 1 . ILE 36 36 10119 1 . ILE 37 37 10119 1 . ARG 38 38 10119 1 . ARG 39 39 10119 1 . LEU 40 40 10119 1 . TYR 41 41 10119 1 . LEU 42 42 10119 1 . LYS 43 43 10119 1 . TRP 44 44 10119 1 . HIS 45 45 10119 1 . PRO 46 46 10119 1 . ASP 47 47 10119 1 . LYS 48 48 10119 1 . ASN 49 49 10119 1 . PRO 50 50 10119 1 . GLU 51 51 10119 1 . ASN 52 52 10119 1 . HIS 53 53 10119 1 . ASP 54 54 10119 1 . ILE 55 55 10119 1 . ALA 56 56 10119 1 . ASN 57 57 10119 1 . GLU 58 58 10119 1 . VAL 59 59 10119 1 . PHE 60 60 10119 1 . LYS 61 61 10119 1 . HIS 62 62 10119 1 . LEU 63 63 10119 1 . GLN 64 64 10119 1 . ASN 65 65 10119 1 . GLU 66 66 10119 1 . ILE 67 67 10119 1 . ASN 68 68 10119 1 . ARG 69 69 10119 1 . LEU 70 70 10119 1 . GLU 71 71 10119 1 . LYS 72 72 10119 1 . GLN 73 73 10119 1 . ALA 74 74 10119 1 . PHE 75 75 10119 1 . LEU 76 76 10119 1 . ASP 77 77 10119 1 . GLN 78 78 10119 1 . ASN 79 79 10119 1 . ALA 80 80 10119 1 . ASP 81 81 10119 1 . ARG 82 82 10119 1 . ALA 83 83 10119 1 . SER 84 84 10119 1 . ARG 85 85 10119 1 . ARG 86 86 10119 1 . THR 87 87 10119 1 . PHE 88 88 10119 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 10119 _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 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10119 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 10119 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P010905-02 . . . . . . 10119 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10119 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DnaJ domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.3 . . mM . . . . 10119 1 2 'Sodium Phosphate' . . . . . . buffer 20 . . mM . . . . 10119 1 3 'Sodium chloride' . . . . . . . 100 . . mM . . . . 10119 1 4 'Sodium azide' . . . . . . . 0.02 . . % . . . . 10119 1 5 H2O . . . . . . solvent 90 . . % . . . . 10119 1 6 D2O . . . . . . solvent 10 . . % . . . . 10119 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10119 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 0.1 mM 10119 1 pH 6.0 0.05 pH 10119 1 pressure 1 0.001 atm 10119 1 temperature 298 0.1 K 10119 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10119 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10119 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10119 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10119 _Software.ID 2 _Software.Name NMRPipe _Software.Version 1.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10119 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10119 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10119 _Software.ID 3 _Software.Name NMRView _Software.Version 5.03 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Johnson . . 10119 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10119 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10119 _Software.ID 4 _Software.Name DYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 10119 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 10119 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10119 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 10119 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10119 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10119 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10119 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 600 . . . 10119 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 10119 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10119 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10119 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10119 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10119 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10119 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10119 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10119 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10119 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10119 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 7 7 HIS HA H 1 4.643 0.030 . 1 . . . . 7 HIS HA . 10119 1 2 . 1 1 7 7 HIS HB2 H 1 3.067 0.030 . 1 . . . . 7 HIS HB2 . 10119 1 3 . 1 1 7 7 HIS HB3 H 1 3.067 0.030 . 1 . . . . 7 HIS HB3 . 10119 1 4 . 1 1 7 7 HIS C C 13 174.679 0.300 . 1 . . . . 7 HIS C . 10119 1 5 . 1 1 7 7 HIS CA C 13 56.065 0.300 . 1 . . . . 7 HIS CA . 10119 1 6 . 1 1 7 7 HIS CB C 13 30.290 0.300 . 1 . . . . 7 HIS CB . 10119 1 7 . 1 1 8 8 LEU H H 1 8.354 0.030 . 1 . . . . 8 LEU H . 10119 1 8 . 1 1 8 8 LEU HA H 1 4.363 0.030 . 1 . . . . 8 LEU HA . 10119 1 9 . 1 1 8 8 LEU HB2 H 1 1.570 0.030 . 1 . . . . 8 LEU HB2 . 10119 1 10 . 1 1 8 8 LEU HB3 H 1 1.570 0.030 . 1 . . . . 8 LEU HB3 . 10119 1 11 . 1 1 8 8 LEU HG H 1 1.461 0.030 . 1 . . . . 8 LEU HG . 10119 1 12 . 1 1 8 8 LEU HD11 H 1 0.846 0.030 . 1 . . . . 8 LEU HD1 . 10119 1 13 . 1 1 8 8 LEU HD12 H 1 0.846 0.030 . 1 . . . . 8 LEU HD1 . 10119 1 14 . 1 1 8 8 LEU HD13 H 1 0.846 0.030 . 1 . . . . 8 LEU HD1 . 10119 1 15 . 1 1 8 8 LEU HD21 H 1 0.875 0.030 . 1 . . . . 8 LEU HD2 . 10119 1 16 . 1 1 8 8 LEU HD22 H 1 0.875 0.030 . 1 . . . . 8 LEU HD2 . 10119 1 17 . 1 1 8 8 LEU HD23 H 1 0.875 0.030 . 1 . . . . 8 LEU HD2 . 10119 1 18 . 1 1 8 8 LEU C C 13 176.663 0.300 . 1 . . . . 8 LEU C . 10119 1 19 . 1 1 8 8 LEU CA C 13 55.117 0.300 . 1 . . . . 8 LEU CA . 10119 1 20 . 1 1 8 8 LEU CB C 13 42.338 0.300 . 1 . . . . 8 LEU CB . 10119 1 21 . 1 1 8 8 LEU CG C 13 26.833 0.300 . 1 . . . . 8 LEU CG . 10119 1 22 . 1 1 8 8 LEU CD1 C 13 23.571 0.300 . 2 . . . . 8 LEU CD1 . 10119 1 23 . 1 1 8 8 LEU CD2 C 13 24.957 0.300 . 2 . . . . 8 LEU CD2 . 10119 1 24 . 1 1 8 8 LEU N N 15 123.718 0.300 . 1 . . . . 8 LEU N . 10119 1 25 . 1 1 9 9 VAL H H 1 8.028 0.030 . 1 . . . . 9 VAL H . 10119 1 26 . 1 1 9 9 VAL HA H 1 4.439 0.030 . 1 . . . . 9 VAL HA . 10119 1 27 . 1 1 9 9 VAL HB H 1 2.079 0.030 . 1 . . . . 9 VAL HB . 10119 1 28 . 1 1 9 9 VAL HG11 H 1 0.966 0.030 . 1 . . . . 9 VAL HG1 . 10119 1 29 . 1 1 9 9 VAL HG12 H 1 0.966 0.030 . 1 . . . . 9 VAL HG1 . 10119 1 30 . 1 1 9 9 VAL HG13 H 1 0.966 0.030 . 1 . . . . 9 VAL HG1 . 10119 1 31 . 1 1 9 9 VAL HG21 H 1 0.929 0.030 . 1 . . . . 9 VAL HG2 . 10119 1 32 . 1 1 9 9 VAL HG22 H 1 0.929 0.030 . 1 . . . . 9 VAL HG2 . 10119 1 33 . 1 1 9 9 VAL HG23 H 1 0.929 0.030 . 1 . . . . 9 VAL HG2 . 10119 1 34 . 1 1 9 9 VAL CA C 13 59.722 0.300 . 1 . . . . 9 VAL CA . 10119 1 35 . 1 1 9 9 VAL CB C 13 32.861 0.300 . 1 . . . . 9 VAL CB . 10119 1 36 . 1 1 9 9 VAL CG1 C 13 21.198 0.300 . 2 . . . . 9 VAL CG1 . 10119 1 37 . 1 1 9 9 VAL CG2 C 13 20.394 0.300 . 2 . . . . 9 VAL CG2 . 10119 1 38 . 1 1 9 9 VAL N N 15 121.867 0.300 . 1 . . . . 9 VAL N . 10119 1 39 . 1 1 10 10 PRO HA H 1 4.453 0.030 . 1 . . . . 10 PRO HA . 10119 1 40 . 1 1 10 10 PRO HB2 H 1 1.900 0.030 . 2 . . . . 10 PRO HB2 . 10119 1 41 . 1 1 10 10 PRO HB3 H 1 2.265 0.030 . 2 . . . . 10 PRO HB3 . 10119 1 42 . 1 1 10 10 PRO HG2 H 1 1.984 0.030 . 2 . . . . 10 PRO HG2 . 10119 1 43 . 1 1 10 10 PRO HG3 H 1 2.045 0.030 . 2 . . . . 10 PRO HG3 . 10119 1 44 . 1 1 10 10 PRO HD2 H 1 3.706 0.030 . 2 . . . . 10 PRO HD2 . 10119 1 45 . 1 1 10 10 PRO HD3 H 1 3.879 0.030 . 2 . . . . 10 PRO HD3 . 10119 1 46 . 1 1 10 10 PRO C C 13 177.187 0.300 . 1 . . . . 10 PRO C . 10119 1 47 . 1 1 10 10 PRO CA C 13 62.839 0.300 . 1 . . . . 10 PRO CA . 10119 1 48 . 1 1 10 10 PRO CB C 13 31.972 0.300 . 1 . . . . 10 PRO CB . 10119 1 49 . 1 1 10 10 PRO CG C 13 27.722 0.300 . 1 . . . . 10 PRO CG . 10119 1 50 . 1 1 10 10 PRO CD C 13 51.008 0.300 . 1 . . . . 10 PRO CD . 10119 1 51 . 1 1 11 11 ARG H H 1 8.609 0.030 . 1 . . . . 11 ARG H . 10119 1 52 . 1 1 11 11 ARG HA H 1 4.068 0.030 . 1 . . . . 11 ARG HA . 10119 1 53 . 1 1 11 11 ARG HB2 H 1 1.826 0.030 . 1 . . . . 11 ARG HB2 . 10119 1 54 . 1 1 11 11 ARG HB3 H 1 1.826 0.030 . 1 . . . . 11 ARG HB3 . 10119 1 55 . 1 1 11 11 ARG HG2 H 1 1.643 0.030 . 1 . . . . 11 ARG HG2 . 10119 1 56 . 1 1 11 11 ARG HG3 H 1 1.643 0.030 . 1 . . . . 11 ARG HG3 . 10119 1 57 . 1 1 11 11 ARG HD2 H 1 3.162 0.030 . 1 . . . . 11 ARG HD2 . 10119 1 58 . 1 1 11 11 ARG HD3 H 1 3.162 0.030 . 1 . . . . 11 ARG HD3 . 10119 1 59 . 1 1 11 11 ARG C C 13 177.652 0.300 . 1 . . . . 11 ARG C . 10119 1 60 . 1 1 11 11 ARG CA C 13 57.865 0.300 . 1 . . . . 11 ARG CA . 10119 1 61 . 1 1 11 11 ARG CB C 13 30.589 0.300 . 1 . . . . 11 ARG CB . 10119 1 62 . 1 1 11 11 ARG CG C 13 27.031 0.300 . 1 . . . . 11 ARG CG . 10119 1 63 . 1 1 11 11 ARG CD C 13 43.424 0.300 . 1 . . . . 11 ARG CD . 10119 1 64 . 1 1 11 11 ARG N N 15 122.602 0.300 . 1 . . . . 11 ARG N . 10119 1 65 . 1 1 12 12 GLY H H 1 8.718 0.030 . 1 . . . . 12 GLY H . 10119 1 66 . 1 1 12 12 GLY HA2 H 1 3.760 0.030 . 2 . . . . 12 GLY HA2 . 10119 1 67 . 1 1 12 12 GLY HA3 H 1 3.959 0.030 . 2 . . . . 12 GLY HA3 . 10119 1 68 . 1 1 12 12 GLY C C 13 176.139 0.300 . 1 . . . . 12 GLY C . 10119 1 69 . 1 1 12 12 GLY CA C 13 46.834 0.300 . 1 . . . . 12 GLY CA . 10119 1 70 . 1 1 12 12 GLY N N 15 107.838 0.300 . 1 . . . . 12 GLY N . 10119 1 71 . 1 1 13 13 SER H H 1 8.067 0.030 . 1 . . . . 13 SER H . 10119 1 72 . 1 1 13 13 SER HA H 1 4.279 0.030 . 1 . . . . 13 SER HA . 10119 1 73 . 1 1 13 13 SER HB2 H 1 3.937 0.030 . 1 . . . . 13 SER HB2 . 10119 1 74 . 1 1 13 13 SER HB3 H 1 3.937 0.030 . 1 . . . . 13 SER HB3 . 10119 1 75 . 1 1 13 13 SER C C 13 176.634 0.300 . 1 . . . . 13 SER C . 10119 1 76 . 1 1 13 13 SER CA C 13 60.623 0.300 . 1 . . . . 13 SER CA . 10119 1 77 . 1 1 13 13 SER CB C 13 62.810 0.300 . 1 . . . . 13 SER CB . 10119 1 78 . 1 1 13 13 SER N N 15 115.978 0.300 . 1 . . . . 13 SER N . 10119 1 79 . 1 1 14 14 ILE H H 1 7.710 0.030 . 1 . . . . 14 ILE H . 10119 1 80 . 1 1 14 14 ILE HA H 1 3.930 0.030 . 1 . . . . 14 ILE HA . 10119 1 81 . 1 1 14 14 ILE HB H 1 1.808 0.030 . 1 . . . . 14 ILE HB . 10119 1 82 . 1 1 14 14 ILE HG12 H 1 1.186 0.030 . 2 . . . . 14 ILE HG12 . 10119 1 83 . 1 1 14 14 ILE HG13 H 1 1.557 0.030 . 2 . . . . 14 ILE HG13 . 10119 1 84 . 1 1 14 14 ILE HG21 H 1 0.713 0.030 . 1 . . . . 14 ILE HG2 . 10119 1 85 . 1 1 14 14 ILE HG22 H 1 0.713 0.030 . 1 . . . . 14 ILE HG2 . 10119 1 86 . 1 1 14 14 ILE HG23 H 1 0.713 0.030 . 1 . . . . 14 ILE HG2 . 10119 1 87 . 1 1 14 14 ILE HD11 H 1 0.957 0.030 . 1 . . . . 14 ILE HD1 . 10119 1 88 . 1 1 14 14 ILE HD12 H 1 0.957 0.030 . 1 . . . . 14 ILE HD1 . 10119 1 89 . 1 1 14 14 ILE HD13 H 1 0.957 0.030 . 1 . . . . 14 ILE HD1 . 10119 1 90 . 1 1 14 14 ILE C C 13 177.682 0.300 . 1 . . . . 14 ILE C . 10119 1 91 . 1 1 14 14 ILE CA C 13 63.989 0.300 . 1 . . . . 14 ILE CA . 10119 1 92 . 1 1 14 14 ILE CB C 13 37.996 0.300 . 1 . . . . 14 ILE CB . 10119 1 93 . 1 1 14 14 ILE CG1 C 13 28.733 0.300 . 1 . . . . 14 ILE CG1 . 10119 1 94 . 1 1 14 14 ILE CG2 C 13 18.637 0.300 . 1 . . . . 14 ILE CG2 . 10119 1 95 . 1 1 14 14 ILE CD1 C 13 13.524 0.300 . 1 . . . . 14 ILE CD1 . 10119 1 96 . 1 1 14 14 ILE N N 15 124.037 0.300 . 1 . . . . 14 ILE N . 10119 1 97 . 1 1 15 15 LEU H H 1 7.503 0.030 . 1 . . . . 15 LEU H . 10119 1 98 . 1 1 15 15 LEU HA H 1 3.583 0.030 . 1 . . . . 15 LEU HA . 10119 1 99 . 1 1 15 15 LEU HB2 H 1 0.405 0.030 . 2 . . . . 15 LEU HB2 . 10119 1 100 . 1 1 15 15 LEU HB3 H 1 1.556 0.030 . 2 . . . . 15 LEU HB3 . 10119 1 101 . 1 1 15 15 LEU HG H 1 1.472 0.030 . 1 . . . . 15 LEU HG . 10119 1 102 . 1 1 15 15 LEU HD11 H 1 0.342 0.030 . 1 . . . . 15 LEU HD1 . 10119 1 103 . 1 1 15 15 LEU HD12 H 1 0.342 0.030 . 1 . . . . 15 LEU HD1 . 10119 1 104 . 1 1 15 15 LEU HD13 H 1 0.342 0.030 . 1 . . . . 15 LEU HD1 . 10119 1 105 . 1 1 15 15 LEU HD21 H 1 0.571 0.030 . 1 . . . . 15 LEU HD2 . 10119 1 106 . 1 1 15 15 LEU HD22 H 1 0.571 0.030 . 1 . . . . 15 LEU HD2 . 10119 1 107 . 1 1 15 15 LEU HD23 H 1 0.571 0.030 . 1 . . . . 15 LEU HD2 . 10119 1 108 . 1 1 15 15 LEU C C 13 179.515 0.300 . 1 . . . . 15 LEU C . 10119 1 109 . 1 1 15 15 LEU CA C 13 58.406 0.300 . 1 . . . . 15 LEU CA . 10119 1 110 . 1 1 15 15 LEU CB C 13 39.435 0.300 . 1 . . . . 15 LEU CB . 10119 1 111 . 1 1 15 15 LEU CG C 13 26.556 0.300 . 1 . . . . 15 LEU CG . 10119 1 112 . 1 1 15 15 LEU CD1 C 13 22.481 0.300 . 2 . . . . 15 LEU CD1 . 10119 1 113 . 1 1 15 15 LEU CD2 C 13 25.016 0.300 . 2 . . . . 15 LEU CD2 . 10119 1 114 . 1 1 15 15 LEU N N 15 118.136 0.300 . 1 . . . . 15 LEU N . 10119 1 115 . 1 1 16 16 LYS H H 1 7.614 0.030 . 1 . . . . 16 LYS H . 10119 1 116 . 1 1 16 16 LYS HA H 1 4.083 0.030 . 1 . . . . 16 LYS HA . 10119 1 117 . 1 1 16 16 LYS HB2 H 1 1.881 0.030 . 1 . . . . 16 LYS HB2 . 10119 1 118 . 1 1 16 16 LYS HB3 H 1 1.881 0.030 . 1 . . . . 16 LYS HB3 . 10119 1 119 . 1 1 16 16 LYS HG2 H 1 1.443 0.030 . 2 . . . . 16 LYS HG2 . 10119 1 120 . 1 1 16 16 LYS HG3 H 1 1.567 0.030 . 2 . . . . 16 LYS HG3 . 10119 1 121 . 1 1 16 16 LYS HD2 H 1 1.671 0.030 . 2 . . . . 16 LYS HD2 . 10119 1 122 . 1 1 16 16 LYS HD3 H 1 1.728 0.030 . 2 . . . . 16 LYS HD3 . 10119 1 123 . 1 1 16 16 LYS HE2 H 1 2.961 0.030 . 1 . . . . 16 LYS HE2 . 10119 1 124 . 1 1 16 16 LYS HE3 H 1 2.961 0.030 . 1 . . . . 16 LYS HE3 . 10119 1 125 . 1 1 16 16 LYS C C 13 179.224 0.300 . 1 . . . . 16 LYS C . 10119 1 126 . 1 1 16 16 LYS CA C 13 59.521 0.300 . 1 . . . . 16 LYS CA . 10119 1 127 . 1 1 16 16 LYS CB C 13 32.367 0.300 . 1 . . . . 16 LYS CB . 10119 1 128 . 1 1 16 16 LYS CG C 13 25.253 0.300 . 1 . . . . 16 LYS CG . 10119 1 129 . 1 1 16 16 LYS CD C 13 29.105 0.300 . 1 . . . . 16 LYS CD . 10119 1 130 . 1 1 16 16 LYS CE C 13 42.140 0.300 . 1 . . . . 16 LYS CE . 10119 1 131 . 1 1 16 16 LYS N N 15 118.272 0.300 . 1 . . . . 16 LYS N . 10119 1 132 . 1 1 17 17 GLU H H 1 7.890 0.030 . 1 . . . . 17 GLU H . 10119 1 133 . 1 1 17 17 GLU HA H 1 4.164 0.030 . 1 . . . . 17 GLU HA . 10119 1 134 . 1 1 17 17 GLU HB2 H 1 2.265 0.030 . 1 . . . . 17 GLU HB2 . 10119 1 135 . 1 1 17 17 GLU HB3 H 1 2.265 0.030 . 1 . . . . 17 GLU HB3 . 10119 1 136 . 1 1 17 17 GLU HG2 H 1 2.297 0.030 . 1 . . . . 17 GLU HG2 . 10119 1 137 . 1 1 17 17 GLU HG3 H 1 2.419 0.030 . 1 . . . . 17 GLU HG3 . 10119 1 138 . 1 1 17 17 GLU C C 13 178.845 0.300 . 1 . . . . 17 GLU C . 10119 1 139 . 1 1 17 17 GLU CA C 13 59.620 0.300 . 1 . . . . 17 GLU CA . 10119 1 140 . 1 1 17 17 GLU CB C 13 29.302 0.300 . 1 . . . . 17 GLU CB . 10119 1 141 . 1 1 17 17 GLU CG C 13 36.116 0.300 . 1 . . . . 17 GLU CG . 10119 1 142 . 1 1 17 17 GLU N N 15 122.037 0.300 . 1 . . . . 17 GLU N . 10119 1 143 . 1 1 18 18 VAL H H 1 8.248 0.030 . 1 . . . . 18 VAL H . 10119 1 144 . 1 1 18 18 VAL HA H 1 3.650 0.030 . 1 . . . . 18 VAL HA . 10119 1 145 . 1 1 18 18 VAL HB H 1 2.247 0.030 . 1 . . . . 18 VAL HB . 10119 1 146 . 1 1 18 18 VAL HG11 H 1 0.855 0.030 . 1 . . . . 18 VAL HG1 . 10119 1 147 . 1 1 18 18 VAL HG12 H 1 0.855 0.030 . 1 . . . . 18 VAL HG1 . 10119 1 148 . 1 1 18 18 VAL HG13 H 1 0.855 0.030 . 1 . . . . 18 VAL HG1 . 10119 1 149 . 1 1 18 18 VAL HG21 H 1 0.923 0.030 . 1 . . . . 18 VAL HG2 . 10119 1 150 . 1 1 18 18 VAL HG22 H 1 0.923 0.030 . 1 . . . . 18 VAL HG2 . 10119 1 151 . 1 1 18 18 VAL HG23 H 1 0.923 0.030 . 1 . . . . 18 VAL HG2 . 10119 1 152 . 1 1 18 18 VAL C C 13 177.565 0.300 . 1 . . . . 18 VAL C . 10119 1 153 . 1 1 18 18 VAL CA C 13 67.524 0.300 . 1 . . . . 18 VAL CA . 10119 1 154 . 1 1 18 18 VAL CB C 13 31.478 0.300 . 1 . . . . 18 VAL CB . 10119 1 155 . 1 1 18 18 VAL CG1 C 13 22.035 0.300 . 2 . . . . 18 VAL CG1 . 10119 1 156 . 1 1 18 18 VAL CG2 C 13 23.081 0.300 . 2 . . . . 18 VAL CG2 . 10119 1 157 . 1 1 18 18 VAL N N 15 119.645 0.300 . 1 . . . . 18 VAL N . 10119 1 158 . 1 1 19 19 THR H H 1 8.367 0.030 . 1 . . . . 19 THR H . 10119 1 159 . 1 1 19 19 THR HA H 1 3.697 0.030 . 1 . . . . 19 THR HA . 10119 1 160 . 1 1 19 19 THR HB H 1 4.274 0.030 . 1 . . . . 19 THR HB . 10119 1 161 . 1 1 19 19 THR HG21 H 1 1.197 0.030 . 1 . . . . 19 THR HG2 . 10119 1 162 . 1 1 19 19 THR HG22 H 1 1.197 0.030 . 1 . . . . 19 THR HG2 . 10119 1 163 . 1 1 19 19 THR HG23 H 1 1.197 0.030 . 1 . . . . 19 THR HG2 . 10119 1 164 . 1 1 19 19 THR C C 13 175.063 0.300 . 1 . . . . 19 THR C . 10119 1 165 . 1 1 19 19 THR CA C 13 69.298 0.300 . 1 . . . . 19 THR CA . 10119 1 166 . 1 1 19 19 THR CB C 13 69.328 0.300 . 1 . . . . 19 THR CB . 10119 1 167 . 1 1 19 19 THR CG2 C 13 21.599 0.300 . 1 . . . . 19 THR CG2 . 10119 1 168 . 1 1 19 19 THR N N 15 116.641 0.300 . 1 . . . . 19 THR N . 10119 1 169 . 1 1 20 20 SER H H 1 8.130 0.030 . 1 . . . . 20 SER H . 10119 1 170 . 1 1 20 20 SER HA H 1 4.255 0.030 . 1 . . . . 20 SER HA . 10119 1 171 . 1 1 20 20 SER HB2 H 1 4.080 0.030 . 1 . . . . 20 SER HB2 . 10119 1 172 . 1 1 20 20 SER HB3 H 1 4.080 0.030 . 1 . . . . 20 SER HB3 . 10119 1 173 . 1 1 20 20 SER C C 13 177.041 0.300 . 1 . . . . 20 SER C . 10119 1 174 . 1 1 20 20 SER CA C 13 62.112 0.300 . 1 . . . . 20 SER CA . 10119 1 175 . 1 1 20 20 SER CB C 13 62.959 0.300 . 1 . . . . 20 SER CB . 10119 1 176 . 1 1 20 20 SER N N 15 114.897 0.300 . 1 . . . . 20 SER N . 10119 1 177 . 1 1 21 21 VAL H H 1 8.330 0.030 . 1 . . . . 21 VAL H . 10119 1 178 . 1 1 21 21 VAL HA H 1 3.810 0.030 . 1 . . . . 21 VAL HA . 10119 1 179 . 1 1 21 21 VAL HB H 1 2.260 0.030 . 1 . . . . 21 VAL HB . 10119 1 180 . 1 1 21 21 VAL HG11 H 1 1.040 0.030 . 1 . . . . 21 VAL HG1 . 10119 1 181 . 1 1 21 21 VAL HG12 H 1 1.040 0.030 . 1 . . . . 21 VAL HG1 . 10119 1 182 . 1 1 21 21 VAL HG13 H 1 1.040 0.030 . 1 . . . . 21 VAL HG1 . 10119 1 183 . 1 1 21 21 VAL HG21 H 1 1.223 0.030 . 1 . . . . 21 VAL HG2 . 10119 1 184 . 1 1 21 21 VAL HG22 H 1 1.223 0.030 . 1 . . . . 21 VAL HG2 . 10119 1 185 . 1 1 21 21 VAL HG23 H 1 1.223 0.030 . 1 . . . . 21 VAL HG2 . 10119 1 186 . 1 1 21 21 VAL C C 13 179.107 0.300 . 1 . . . . 21 VAL C . 10119 1 187 . 1 1 21 21 VAL CA C 13 66.692 0.300 . 1 . . . . 21 VAL CA . 10119 1 188 . 1 1 21 21 VAL CB C 13 31.774 0.300 . 1 . . . . 21 VAL CB . 10119 1 189 . 1 1 21 21 VAL CG1 C 13 22.492 0.300 . 2 . . . . 21 VAL CG1 . 10119 1 190 . 1 1 21 21 VAL CG2 C 13 22.982 0.300 . 2 . . . . 21 VAL CG2 . 10119 1 191 . 1 1 21 21 VAL N N 15 121.474 0.300 . 1 . . . . 21 VAL N . 10119 1 192 . 1 1 22 22 VAL H H 1 8.414 0.030 . 1 . . . . 22 VAL H . 10119 1 193 . 1 1 22 22 VAL HA H 1 3.701 0.030 . 1 . . . . 22 VAL HA . 10119 1 194 . 1 1 22 22 VAL HB H 1 2.117 0.030 . 1 . . . . 22 VAL HB . 10119 1 195 . 1 1 22 22 VAL HG11 H 1 0.913 0.030 . 1 . . . . 22 VAL HG1 . 10119 1 196 . 1 1 22 22 VAL HG12 H 1 0.913 0.030 . 1 . . . . 22 VAL HG1 . 10119 1 197 . 1 1 22 22 VAL HG13 H 1 0.913 0.030 . 1 . . . . 22 VAL HG1 . 10119 1 198 . 1 1 22 22 VAL HG21 H 1 0.998 0.030 . 1 . . . . 22 VAL HG2 . 10119 1 199 . 1 1 22 22 VAL HG22 H 1 0.998 0.030 . 1 . . . . 22 VAL HG2 . 10119 1 200 . 1 1 22 22 VAL HG23 H 1 0.998 0.030 . 1 . . . . 22 VAL HG2 . 10119 1 201 . 1 1 22 22 VAL C C 13 177.682 0.300 . 1 . . . . 22 VAL C . 10119 1 202 . 1 1 22 22 VAL CA C 13 67.377 0.300 . 1 . . . . 22 VAL CA . 10119 1 203 . 1 1 22 22 VAL CB C 13 31.596 0.300 . 1 . . . . 22 VAL CB . 10119 1 204 . 1 1 22 22 VAL CG1 C 13 22.412 0.300 . 2 . . . . 22 VAL CG1 . 10119 1 205 . 1 1 22 22 VAL CG2 C 13 23.488 0.300 . 2 . . . . 22 VAL CG2 . 10119 1 206 . 1 1 22 22 VAL N N 15 120.106 0.300 . 1 . . . . 22 VAL N . 10119 1 207 . 1 1 23 23 GLU H H 1 8.715 0.030 . 1 . . . . 23 GLU H . 10119 1 208 . 1 1 23 23 GLU HA H 1 3.970 0.030 . 1 . . . . 23 GLU HA . 10119 1 209 . 1 1 23 23 GLU HB2 H 1 1.974 0.030 . 2 . . . . 23 GLU HB2 . 10119 1 210 . 1 1 23 23 GLU HB3 H 1 2.223 0.030 . 2 . . . . 23 GLU HB3 . 10119 1 211 . 1 1 23 23 GLU HG2 H 1 2.203 0.030 . 2 . . . . 23 GLU HG2 . 10119 1 212 . 1 1 23 23 GLU HG3 H 1 2.628 0.030 . 2 . . . . 23 GLU HG3 . 10119 1 213 . 1 1 23 23 GLU C C 13 180.562 0.300 . 1 . . . . 23 GLU C . 10119 1 214 . 1 1 23 23 GLU CA C 13 60.485 0.300 . 1 . . . . 23 GLU CA . 10119 1 215 . 1 1 23 23 GLU CB C 13 29.196 0.300 . 1 . . . . 23 GLU CB . 10119 1 216 . 1 1 23 23 GLU CG C 13 37.795 0.300 . 1 . . . . 23 GLU CG . 10119 1 217 . 1 1 23 23 GLU N N 15 118.236 0.300 . 1 . . . . 23 GLU N . 10119 1 218 . 1 1 24 24 GLN H H 1 8.168 0.030 . 1 . . . . 24 GLN H . 10119 1 219 . 1 1 24 24 GLN HA H 1 4.099 0.030 . 1 . . . . 24 GLN HA . 10119 1 220 . 1 1 24 24 GLN HB2 H 1 2.247 0.030 . 1 . . . . 24 GLN HB2 . 10119 1 221 . 1 1 24 24 GLN HB3 H 1 2.247 0.030 . 1 . . . . 24 GLN HB3 . 10119 1 222 . 1 1 24 24 GLN HG2 H 1 2.506 0.030 . 2 . . . . 24 GLN HG2 . 10119 1 223 . 1 1 24 24 GLN HG3 H 1 2.609 0.030 . 2 . . . . 24 GLN HG3 . 10119 1 224 . 1 1 24 24 GLN HE21 H 1 6.898 0.030 . 2 . . . . 24 GLN HE21 . 10119 1 225 . 1 1 24 24 GLN HE22 H 1 7.384 0.030 . 2 . . . . 24 GLN HE22 . 10119 1 226 . 1 1 24 24 GLN C C 13 179.573 0.300 . 1 . . . . 24 GLN C . 10119 1 227 . 1 1 24 24 GLN CA C 13 58.786 0.300 . 1 . . . . 24 GLN CA . 10119 1 228 . 1 1 24 24 GLN CB C 13 28.424 0.300 . 1 . . . . 24 GLN CB . 10119 1 229 . 1 1 24 24 GLN CG C 13 34.278 0.300 . 1 . . . . 24 GLN CG . 10119 1 230 . 1 1 24 24 GLN N N 15 117.605 0.300 . 1 . . . . 24 GLN N . 10119 1 231 . 1 1 24 24 GLN NE2 N 15 111.923 0.300 . 1 . . . . 24 GLN NE2 . 10119 1 232 . 1 1 25 25 ALA H H 1 8.609 0.030 . 1 . . . . 25 ALA H . 10119 1 233 . 1 1 25 25 ALA HA H 1 4.066 0.030 . 1 . . . . 25 ALA HA . 10119 1 234 . 1 1 25 25 ALA HB1 H 1 1.662 0.030 . 1 . . . . 25 ALA HB . 10119 1 235 . 1 1 25 25 ALA HB2 H 1 1.662 0.030 . 1 . . . . 25 ALA HB . 10119 1 236 . 1 1 25 25 ALA HB3 H 1 1.662 0.030 . 1 . . . . 25 ALA HB . 10119 1 237 . 1 1 25 25 ALA C C 13 179.136 0.300 . 1 . . . . 25 ALA C . 10119 1 238 . 1 1 25 25 ALA CA C 13 54.506 0.300 . 1 . . . . 25 ALA CA . 10119 1 239 . 1 1 25 25 ALA CB C 13 17.850 0.300 . 1 . . . . 25 ALA CB . 10119 1 240 . 1 1 25 25 ALA N N 15 122.938 0.300 . 1 . . . . 25 ALA N . 10119 1 241 . 1 1 26 26 TRP H H 1 8.049 0.030 . 1 . . . . 26 TRP H . 10119 1 242 . 1 1 26 26 TRP HA H 1 4.022 0.030 . 1 . . . . 26 TRP HA . 10119 1 243 . 1 1 26 26 TRP HB2 H 1 3.304 0.030 . 2 . . . . 26 TRP HB2 . 10119 1 244 . 1 1 26 26 TRP HB3 H 1 3.371 0.030 . 2 . . . . 26 TRP HB3 . 10119 1 245 . 1 1 26 26 TRP HD1 H 1 7.272 0.030 . 1 . . . . 26 TRP HD1 . 10119 1 246 . 1 1 26 26 TRP HE1 H 1 9.803 0.030 . 1 . . . . 26 TRP HE1 . 10119 1 247 . 1 1 26 26 TRP HE3 H 1 7.739 0.030 . 1 . . . . 26 TRP HE3 . 10119 1 248 . 1 1 26 26 TRP HZ2 H 1 7.384 0.030 . 1 . . . . 26 TRP HZ2 . 10119 1 249 . 1 1 26 26 TRP HZ3 H 1 6.903 0.030 . 1 . . . . 26 TRP HZ3 . 10119 1 250 . 1 1 26 26 TRP HH2 H 1 7.203 0.030 . 1 . . . . 26 TRP HH2 . 10119 1 251 . 1 1 26 26 TRP CA C 13 60.819 0.300 . 1 . . . . 26 TRP CA . 10119 1 252 . 1 1 26 26 TRP CB C 13 29.404 0.300 . 1 . . . . 26 TRP CB . 10119 1 253 . 1 1 26 26 TRP CD1 C 13 126.061 0.300 . 1 . . . . 26 TRP CD1 . 10119 1 254 . 1 1 26 26 TRP CE3 C 13 120.915 0.300 . 1 . . . . 26 TRP CE3 . 10119 1 255 . 1 1 26 26 TRP CZ2 C 13 114.253 0.300 . 1 . . . . 26 TRP CZ2 . 10119 1 256 . 1 1 26 26 TRP CZ3 C 13 120.945 0.300 . 1 . . . . 26 TRP CZ3 . 10119 1 257 . 1 1 26 26 TRP CH2 C 13 124.747 0.300 . 1 . . . . 26 TRP CH2 . 10119 1 258 . 1 1 26 26 TRP N N 15 116.901 0.300 . 1 . . . . 26 TRP N . 10119 1 259 . 1 1 26 26 TRP NE1 N 15 126.969 0.300 . 1 . . . . 26 TRP NE1 . 10119 1 260 . 1 1 27 27 LYS H H 1 7.460 0.030 . 1 . . . . 27 LYS H . 10119 1 261 . 1 1 27 27 LYS HA H 1 4.406 0.030 . 1 . . . . 27 LYS HA . 10119 1 262 . 1 1 27 27 LYS HB2 H 1 1.896 0.030 . 2 . . . . 27 LYS HB2 . 10119 1 263 . 1 1 27 27 LYS HB3 H 1 2.127 0.030 . 2 . . . . 27 LYS HB3 . 10119 1 264 . 1 1 27 27 LYS HG2 H 1 1.569 0.030 . 2 . . . . 27 LYS HG2 . 10119 1 265 . 1 1 27 27 LYS HG3 H 1 1.707 0.030 . 2 . . . . 27 LYS HG3 . 10119 1 266 . 1 1 27 27 LYS HD2 H 1 1.735 0.030 . 1 . . . . 27 LYS HD2 . 10119 1 267 . 1 1 27 27 LYS HD3 H 1 1.735 0.030 . 1 . . . . 27 LYS HD3 . 10119 1 268 . 1 1 27 27 LYS HE2 H 1 3.058 0.030 . 1 . . . . 27 LYS HE2 . 10119 1 269 . 1 1 27 27 LYS HE3 H 1 3.058 0.030 . 1 . . . . 27 LYS HE3 . 10119 1 270 . 1 1 27 27 LYS C C 13 176.692 0.300 . 1 . . . . 27 LYS C . 10119 1 271 . 1 1 27 27 LYS CA C 13 56.266 0.300 . 1 . . . . 27 LYS CA . 10119 1 272 . 1 1 27 27 LYS CB C 13 32.663 0.300 . 1 . . . . 27 LYS CB . 10119 1 273 . 1 1 27 27 LYS CG C 13 25.154 0.300 . 1 . . . . 27 LYS CG . 10119 1 274 . 1 1 27 27 LYS CD C 13 29.203 0.300 . 1 . . . . 27 LYS CD . 10119 1 275 . 1 1 27 27 LYS CE C 13 42.535 0.300 . 1 . . . . 27 LYS CE . 10119 1 276 . 1 1 27 27 LYS N N 15 115.980 0.300 . 1 . . . . 27 LYS N . 10119 1 277 . 1 1 28 28 LEU H H 1 7.482 0.030 . 1 . . . . 28 LEU H . 10119 1 278 . 1 1 28 28 LEU HA H 1 4.636 0.030 . 1 . . . . 28 LEU HA . 10119 1 279 . 1 1 28 28 LEU HB2 H 1 1.460 0.030 . 2 . . . . 28 LEU HB2 . 10119 1 280 . 1 1 28 28 LEU HB3 H 1 1.859 0.030 . 2 . . . . 28 LEU HB3 . 10119 1 281 . 1 1 28 28 LEU HG H 1 1.863 0.030 . 1 . . . . 28 LEU HG . 10119 1 282 . 1 1 28 28 LEU HD11 H 1 0.898 0.030 . 1 . . . . 28 LEU HD1 . 10119 1 283 . 1 1 28 28 LEU HD12 H 1 0.898 0.030 . 1 . . . . 28 LEU HD1 . 10119 1 284 . 1 1 28 28 LEU HD13 H 1 0.898 0.030 . 1 . . . . 28 LEU HD1 . 10119 1 285 . 1 1 28 28 LEU HD21 H 1 0.904 0.030 . 1 . . . . 28 LEU HD2 . 10119 1 286 . 1 1 28 28 LEU HD22 H 1 0.904 0.030 . 1 . . . . 28 LEU HD2 . 10119 1 287 . 1 1 28 28 LEU HD23 H 1 0.904 0.030 . 1 . . . . 28 LEU HD2 . 10119 1 288 . 1 1 28 28 LEU CA C 13 52.956 0.300 . 1 . . . . 28 LEU CA . 10119 1 289 . 1 1 28 28 LEU CB C 13 41.304 0.300 . 1 . . . . 28 LEU CB . 10119 1 290 . 1 1 28 28 LEU CG C 13 26.424 0.300 . 1 . . . . 28 LEU CG . 10119 1 291 . 1 1 28 28 LEU CD1 C 13 26.414 0.300 . 2 . . . . 28 LEU CD1 . 10119 1 292 . 1 1 28 28 LEU CD2 C 13 21.776 0.300 . 2 . . . . 28 LEU CD2 . 10119 1 293 . 1 1 28 28 LEU N N 15 120.880 0.300 . 1 . . . . 28 LEU N . 10119 1 294 . 1 1 29 29 PRO HA H 1 4.413 0.030 . 1 . . . . 29 PRO HA . 10119 1 295 . 1 1 29 29 PRO HB2 H 1 1.845 0.030 . 2 . . . . 29 PRO HB2 . 10119 1 296 . 1 1 29 29 PRO HB3 H 1 2.487 0.030 . 2 . . . . 29 PRO HB3 . 10119 1 297 . 1 1 29 29 PRO HG2 H 1 2.063 0.030 . 2 . . . . 29 PRO HG2 . 10119 1 298 . 1 1 29 29 PRO HG3 H 1 2.112 0.030 . 2 . . . . 29 PRO HG3 . 10119 1 299 . 1 1 29 29 PRO HD2 H 1 3.525 0.030 . 2 . . . . 29 PRO HD2 . 10119 1 300 . 1 1 29 29 PRO HD3 H 1 3.844 0.030 . 2 . . . . 29 PRO HD3 . 10119 1 301 . 1 1 29 29 PRO CA C 13 62.845 0.300 . 1 . . . . 29 PRO CA . 10119 1 302 . 1 1 29 29 PRO CB C 13 32.462 0.300 . 1 . . . . 29 PRO CB . 10119 1 303 . 1 1 29 29 PRO CG C 13 28.315 0.300 . 1 . . . . 29 PRO CG . 10119 1 304 . 1 1 29 29 PRO CD C 13 50.602 0.300 . 1 . . . . 29 PRO CD . 10119 1 305 . 1 1 30 30 GLU H H 1 8.808 0.030 . 1 . . . . 30 GLU H . 10119 1 306 . 1 1 30 30 GLU HA H 1 3.613 0.030 . 1 . . . . 30 GLU HA . 10119 1 307 . 1 1 30 30 GLU HB2 H 1 1.950 0.030 . 2 . . . . 30 GLU HB2 . 10119 1 308 . 1 1 30 30 GLU HB3 H 1 2.095 0.030 . 2 . . . . 30 GLU HB3 . 10119 1 309 . 1 1 30 30 GLU HG2 H 1 2.132 0.030 . 1 . . . . 30 GLU HG2 . 10119 1 310 . 1 1 30 30 GLU HG3 H 1 2.132 0.030 . 1 . . . . 30 GLU HG3 . 10119 1 311 . 1 1 30 30 GLU C C 13 177.158 0.300 . 1 . . . . 30 GLU C . 10119 1 312 . 1 1 30 30 GLU CA C 13 60.755 0.300 . 1 . . . . 30 GLU CA . 10119 1 313 . 1 1 30 30 GLU CB C 13 29.997 0.300 . 1 . . . . 30 GLU CB . 10119 1 314 . 1 1 30 30 GLU CG C 13 36.024 0.300 . 1 . . . . 30 GLU CG . 10119 1 315 . 1 1 30 30 GLU N N 15 123.750 0.300 . 1 . . . . 30 GLU N . 10119 1 316 . 1 1 31 31 SER H H 1 8.805 0.030 . 1 . . . . 31 SER H . 10119 1 317 . 1 1 31 31 SER HA H 1 4.015 0.030 . 1 . . . . 31 SER HA . 10119 1 318 . 1 1 31 31 SER HB2 H 1 3.900 0.030 . 1 . . . . 31 SER HB2 . 10119 1 319 . 1 1 31 31 SER HB3 H 1 3.900 0.030 . 1 . . . . 31 SER HB3 . 10119 1 320 . 1 1 31 31 SER C C 13 176.896 0.300 . 1 . . . . 31 SER C . 10119 1 321 . 1 1 31 31 SER CA C 13 61.656 0.300 . 1 . . . . 31 SER CA . 10119 1 322 . 1 1 31 31 SER CB C 13 62.035 0.300 . 1 . . . . 31 SER CB . 10119 1 323 . 1 1 31 31 SER N N 15 111.899 0.300 . 1 . . . . 31 SER N . 10119 1 324 . 1 1 32 32 GLU H H 1 7.224 0.030 . 1 . . . . 32 GLU H . 10119 1 325 . 1 1 32 32 GLU HA H 1 4.202 0.030 . 1 . . . . 32 GLU HA . 10119 1 326 . 1 1 32 32 GLU HB2 H 1 1.966 0.030 . 2 . . . . 32 GLU HB2 . 10119 1 327 . 1 1 32 32 GLU HB3 H 1 2.128 0.030 . 2 . . . . 32 GLU HB3 . 10119 1 328 . 1 1 32 32 GLU HG2 H 1 2.304 0.030 . 2 . . . . 32 GLU HG2 . 10119 1 329 . 1 1 32 32 GLU HG3 H 1 2.389 0.030 . 2 . . . . 32 GLU HG3 . 10119 1 330 . 1 1 32 32 GLU CA C 13 58.104 0.300 . 1 . . . . 32 GLU CA . 10119 1 331 . 1 1 32 32 GLU CB C 13 30.491 0.300 . 1 . . . . 32 GLU CB . 10119 1 332 . 1 1 32 32 GLU CG C 13 35.820 0.300 . 1 . . . . 32 GLU CG . 10119 1 333 . 1 1 32 32 GLU N N 15 121.609 0.300 . 1 . . . . 32 GLU N . 10119 1 334 . 1 1 33 33 ARG H H 1 8.460 0.030 . 1 . . . . 33 ARG H . 10119 1 335 . 1 1 33 33 ARG HA H 1 3.702 0.030 . 1 . . . . 33 ARG HA . 10119 1 336 . 1 1 33 33 ARG HB2 H 1 1.589 0.030 . 2 . . . . 33 ARG HB2 . 10119 1 337 . 1 1 33 33 ARG HB3 H 1 1.808 0.030 . 2 . . . . 33 ARG HB3 . 10119 1 338 . 1 1 33 33 ARG HG2 H 1 0.949 0.030 . 1 . . . . 33 ARG HG2 . 10119 1 339 . 1 1 33 33 ARG HG3 H 1 0.949 0.030 . 1 . . . . 33 ARG HG3 . 10119 1 340 . 1 1 33 33 ARG HD2 H 1 1.688 0.030 . 1 . . . . 33 ARG HD2 . 10119 1 341 . 1 1 33 33 ARG HD3 H 1 1.688 0.030 . 1 . . . . 33 ARG HD3 . 10119 1 342 . 1 1 33 33 ARG HE H 1 6.449 0.030 . 1 . . . . 33 ARG HE . 10119 1 343 . 1 1 33 33 ARG C C 13 178.234 0.300 . 1 . . . . 33 ARG C . 10119 1 344 . 1 1 33 33 ARG CA C 13 59.882 0.300 . 1 . . . . 33 ARG CA . 10119 1 345 . 1 1 33 33 ARG CB C 13 30.194 0.300 . 1 . . . . 33 ARG CB . 10119 1 346 . 1 1 33 33 ARG CG C 13 24.759 0.300 . 1 . . . . 33 ARG CG . 10119 1 347 . 1 1 33 33 ARG CD C 13 42.831 0.300 . 1 . . . . 33 ARG CD . 10119 1 348 . 1 1 33 33 ARG N N 15 122.060 0.300 . 1 . . . . 33 ARG N . 10119 1 349 . 1 1 33 33 ARG NE N 15 82.684 0.300 . 1 . . . . 33 ARG NE . 10119 1 350 . 1 1 34 34 LYS H H 1 8.354 0.030 . 1 . . . . 34 LYS H . 10119 1 351 . 1 1 34 34 LYS HA H 1 3.794 0.030 . 1 . . . . 34 LYS HA . 10119 1 352 . 1 1 34 34 LYS HB2 H 1 1.790 0.030 . 1 . . . . 34 LYS HB2 . 10119 1 353 . 1 1 34 34 LYS HB3 H 1 1.790 0.030 . 1 . . . . 34 LYS HB3 . 10119 1 354 . 1 1 34 34 LYS HG2 H 1 1.376 0.030 . 2 . . . . 34 LYS HG2 . 10119 1 355 . 1 1 34 34 LYS HG3 H 1 1.575 0.030 . 2 . . . . 34 LYS HG3 . 10119 1 356 . 1 1 34 34 LYS HD2 H 1 1.631 0.030 . 1 . . . . 34 LYS HD2 . 10119 1 357 . 1 1 34 34 LYS HD3 H 1 1.631 0.030 . 1 . . . . 34 LYS HD3 . 10119 1 358 . 1 1 34 34 LYS HE2 H 1 2.896 0.030 . 1 . . . . 34 LYS HE2 . 10119 1 359 . 1 1 34 34 LYS HE3 H 1 2.896 0.030 . 1 . . . . 34 LYS HE3 . 10119 1 360 . 1 1 34 34 LYS C C 13 179.078 0.300 . 1 . . . . 34 LYS C . 10119 1 361 . 1 1 34 34 LYS CA C 13 60.043 0.300 . 1 . . . . 34 LYS CA . 10119 1 362 . 1 1 34 34 LYS CB C 13 32.367 0.300 . 1 . . . . 34 LYS CB . 10119 1 363 . 1 1 34 34 LYS CG C 13 26.216 0.300 . 1 . . . . 34 LYS CG . 10119 1 364 . 1 1 34 34 LYS CD C 13 29.598 0.300 . 1 . . . . 34 LYS CD . 10119 1 365 . 1 1 34 34 LYS CE C 13 41.943 0.300 . 1 . . . . 34 LYS CE . 10119 1 366 . 1 1 34 34 LYS N N 15 115.689 0.300 . 1 . . . . 34 LYS N . 10119 1 367 . 1 1 35 35 LYS H H 1 7.122 0.030 . 1 . . . . 35 LYS H . 10119 1 368 . 1 1 35 35 LYS HA H 1 4.028 0.030 . 1 . . . . 35 LYS HA . 10119 1 369 . 1 1 35 35 LYS HB2 H 1 1.973 0.030 . 1 . . . . 35 LYS HB2 . 10119 1 370 . 1 1 35 35 LYS HB3 H 1 1.973 0.030 . 1 . . . . 35 LYS HB3 . 10119 1 371 . 1 1 35 35 LYS HG2 H 1 1.421 0.030 . 2 . . . . 35 LYS HG2 . 10119 1 372 . 1 1 35 35 LYS HG3 H 1 1.724 0.030 . 2 . . . . 35 LYS HG3 . 10119 1 373 . 1 1 35 35 LYS HD2 H 1 1.724 0.030 . 1 . . . . 35 LYS HD2 . 10119 1 374 . 1 1 35 35 LYS HD3 H 1 1.724 0.030 . 1 . . . . 35 LYS HD3 . 10119 1 375 . 1 1 35 35 LYS HE2 H 1 2.979 0.030 . 1 . . . . 35 LYS HE2 . 10119 1 376 . 1 1 35 35 LYS HE3 H 1 2.979 0.030 . 1 . . . . 35 LYS HE3 . 10119 1 377 . 1 1 35 35 LYS C C 13 179.166 0.300 . 1 . . . . 35 LYS C . 10119 1 378 . 1 1 35 35 LYS CA C 13 59.767 0.300 . 1 . . . . 35 LYS CA . 10119 1 379 . 1 1 35 35 LYS CB C 13 32.762 0.300 . 1 . . . . 35 LYS CB . 10119 1 380 . 1 1 35 35 LYS CG C 13 25.253 0.300 . 1 . . . . 35 LYS CG . 10119 1 381 . 1 1 35 35 LYS CD C 13 29.796 0.300 . 1 . . . . 35 LYS CD . 10119 1 382 . 1 1 35 35 LYS CE C 13 41.943 0.300 . 1 . . . . 35 LYS CE . 10119 1 383 . 1 1 35 35 LYS N N 15 118.639 0.300 . 1 . . . . 35 LYS N . 10119 1 384 . 1 1 36 36 ILE H H 1 7.613 0.030 . 1 . . . . 36 ILE H . 10119 1 385 . 1 1 36 36 ILE HA H 1 3.696 0.030 . 1 . . . . 36 ILE HA . 10119 1 386 . 1 1 36 36 ILE HB H 1 1.899 0.030 . 1 . . . . 36 ILE HB . 10119 1 387 . 1 1 36 36 ILE HG12 H 1 1.199 0.030 . 2 . . . . 36 ILE HG12 . 10119 1 388 . 1 1 36 36 ILE HG13 H 1 1.707 0.030 . 2 . . . . 36 ILE HG13 . 10119 1 389 . 1 1 36 36 ILE HG21 H 1 0.917 0.030 . 1 . . . . 36 ILE HG2 . 10119 1 390 . 1 1 36 36 ILE HG22 H 1 0.917 0.030 . 1 . . . . 36 ILE HG2 . 10119 1 391 . 1 1 36 36 ILE HG23 H 1 0.917 0.030 . 1 . . . . 36 ILE HG2 . 10119 1 392 . 1 1 36 36 ILE HD11 H 1 0.883 0.030 . 1 . . . . 36 ILE HD1 . 10119 1 393 . 1 1 36 36 ILE HD12 H 1 0.883 0.030 . 1 . . . . 36 ILE HD1 . 10119 1 394 . 1 1 36 36 ILE HD13 H 1 0.883 0.030 . 1 . . . . 36 ILE HD1 . 10119 1 395 . 1 1 36 36 ILE C C 13 178.496 0.300 . 1 . . . . 36 ILE C . 10119 1 396 . 1 1 36 36 ILE CA C 13 64.856 0.300 . 1 . . . . 36 ILE CA . 10119 1 397 . 1 1 36 36 ILE CB C 13 38.241 0.300 . 1 . . . . 36 ILE CB . 10119 1 398 . 1 1 36 36 ILE CG1 C 13 29.203 0.300 . 1 . . . . 36 ILE CG1 . 10119 1 399 . 1 1 36 36 ILE CG2 C 13 17.534 0.300 . 1 . . . . 36 ILE CG2 . 10119 1 400 . 1 1 36 36 ILE CD1 C 13 14.002 0.300 . 1 . . . . 36 ILE CD1 . 10119 1 401 . 1 1 36 36 ILE N N 15 120.687 0.300 . 1 . . . . 36 ILE N . 10119 1 402 . 1 1 37 37 ILE H H 1 8.261 0.030 . 1 . . . . 37 ILE H . 10119 1 403 . 1 1 37 37 ILE HA H 1 3.734 0.030 . 1 . . . . 37 ILE HA . 10119 1 404 . 1 1 37 37 ILE HB H 1 2.004 0.030 . 1 . . . . 37 ILE HB . 10119 1 405 . 1 1 37 37 ILE HG12 H 1 1.475 0.030 . 2 . . . . 37 ILE HG12 . 10119 1 406 . 1 1 37 37 ILE HG13 H 1 1.652 0.030 . 2 . . . . 37 ILE HG13 . 10119 1 407 . 1 1 37 37 ILE HG21 H 1 1.034 0.030 . 1 . . . . 37 ILE HG2 . 10119 1 408 . 1 1 37 37 ILE HG22 H 1 1.034 0.030 . 1 . . . . 37 ILE HG2 . 10119 1 409 . 1 1 37 37 ILE HG23 H 1 1.034 0.030 . 1 . . . . 37 ILE HG2 . 10119 1 410 . 1 1 37 37 ILE HD11 H 1 0.947 0.030 . 1 . . . . 37 ILE HD1 . 10119 1 411 . 1 1 37 37 ILE HD12 H 1 0.947 0.030 . 1 . . . . 37 ILE HD1 . 10119 1 412 . 1 1 37 37 ILE HD13 H 1 0.947 0.030 . 1 . . . . 37 ILE HD1 . 10119 1 413 . 1 1 37 37 ILE C C 13 178.671 0.300 . 1 . . . . 37 ILE C . 10119 1 414 . 1 1 37 37 ILE CA C 13 64.406 0.300 . 1 . . . . 37 ILE CA . 10119 1 415 . 1 1 37 37 ILE CB C 13 36.605 0.300 . 1 . . . . 37 ILE CB . 10119 1 416 . 1 1 37 37 ILE CG1 C 13 28.689 0.300 . 1 . . . . 37 ILE CG1 . 10119 1 417 . 1 1 37 37 ILE CG2 C 13 18.263 0.300 . 1 . . . . 37 ILE CG2 . 10119 1 418 . 1 1 37 37 ILE CD1 C 13 12.113 0.300 . 1 . . . . 37 ILE CD1 . 10119 1 419 . 1 1 37 37 ILE N N 15 119.113 0.300 . 1 . . . . 37 ILE N . 10119 1 420 . 1 1 38 38 ARG H H 1 8.155 0.030 . 1 . . . . 38 ARG H . 10119 1 421 . 1 1 38 38 ARG HA H 1 4.186 0.030 . 1 . . . . 38 ARG HA . 10119 1 422 . 1 1 38 38 ARG HB2 H 1 1.973 0.030 . 1 . . . . 38 ARG HB2 . 10119 1 423 . 1 1 38 38 ARG HB3 H 1 1.973 0.030 . 1 . . . . 38 ARG HB3 . 10119 1 424 . 1 1 38 38 ARG HG2 H 1 1.741 0.030 . 1 . . . . 38 ARG HG2 . 10119 1 425 . 1 1 38 38 ARG HG3 H 1 1.741 0.030 . 1 . . . . 38 ARG HG3 . 10119 1 426 . 1 1 38 38 ARG HD2 H 1 3.208 0.030 . 1 . . . . 38 ARG HD2 . 10119 1 427 . 1 1 38 38 ARG HD3 H 1 3.208 0.030 . 1 . . . . 38 ARG HD3 . 10119 1 428 . 1 1 38 38 ARG C C 13 178.467 0.300 . 1 . . . . 38 ARG C . 10119 1 429 . 1 1 38 38 ARG CA C 13 59.422 0.300 . 1 . . . . 38 ARG CA . 10119 1 430 . 1 1 38 38 ARG CB C 13 29.598 0.300 . 1 . . . . 38 ARG CB . 10119 1 431 . 1 1 38 38 ARG CG C 13 27.129 0.300 . 1 . . . . 38 ARG CG . 10119 1 432 . 1 1 38 38 ARG CD C 13 43.424 0.300 . 1 . . . . 38 ARG CD . 10119 1 433 . 1 1 38 38 ARG N N 15 119.338 0.300 . 1 . . . . 38 ARG N . 10119 1 434 . 1 1 39 39 ARG H H 1 7.609 0.030 . 1 . . . . 39 ARG H . 10119 1 435 . 1 1 39 39 ARG HA H 1 4.107 0.030 . 1 . . . . 39 ARG HA . 10119 1 436 . 1 1 39 39 ARG HB2 H 1 2.046 0.030 . 1 . . . . 39 ARG HB2 . 10119 1 437 . 1 1 39 39 ARG HB3 H 1 2.046 0.030 . 1 . . . . 39 ARG HB3 . 10119 1 438 . 1 1 39 39 ARG HG2 H 1 1.703 0.030 . 1 . . . . 39 ARG HG2 . 10119 1 439 . 1 1 39 39 ARG HG3 H 1 1.703 0.030 . 1 . . . . 39 ARG HG3 . 10119 1 440 . 1 1 39 39 ARG HD2 H 1 3.262 0.030 . 1 . . . . 39 ARG HD2 . 10119 1 441 . 1 1 39 39 ARG HD3 H 1 3.262 0.030 . 1 . . . . 39 ARG HD3 . 10119 1 442 . 1 1 39 39 ARG C C 13 179.660 0.300 . 1 . . . . 39 ARG C . 10119 1 443 . 1 1 39 39 ARG CA C 13 59.816 0.300 . 1 . . . . 39 ARG CA . 10119 1 444 . 1 1 39 39 ARG CB C 13 29.993 0.300 . 1 . . . . 39 ARG CB . 10119 1 445 . 1 1 39 39 ARG CG C 13 27.821 0.300 . 1 . . . . 39 ARG CG . 10119 1 446 . 1 1 39 39 ARG CD C 13 43.918 0.300 . 1 . . . . 39 ARG CD . 10119 1 447 . 1 1 39 39 ARG N N 15 117.643 0.300 . 1 . . . . 39 ARG N . 10119 1 448 . 1 1 40 40 LEU H H 1 7.986 0.030 . 1 . . . . 40 LEU H . 10119 1 449 . 1 1 40 40 LEU HA H 1 4.296 0.030 . 1 . . . . 40 LEU HA . 10119 1 450 . 1 1 40 40 LEU HB2 H 1 1.717 0.030 . 2 . . . . 40 LEU HB2 . 10119 1 451 . 1 1 40 40 LEU HB3 H 1 2.237 0.030 . 2 . . . . 40 LEU HB3 . 10119 1 452 . 1 1 40 40 LEU HG H 1 2.043 0.030 . 1 . . . . 40 LEU HG . 10119 1 453 . 1 1 40 40 LEU HD11 H 1 1.049 0.030 . 1 . . . . 40 LEU HD1 . 10119 1 454 . 1 1 40 40 LEU HD12 H 1 1.049 0.030 . 1 . . . . 40 LEU HD1 . 10119 1 455 . 1 1 40 40 LEU HD13 H 1 1.049 0.030 . 1 . . . . 40 LEU HD1 . 10119 1 456 . 1 1 40 40 LEU HD21 H 1 1.124 0.030 . 1 . . . . 40 LEU HD2 . 10119 1 457 . 1 1 40 40 LEU HD22 H 1 1.124 0.030 . 1 . . . . 40 LEU HD2 . 10119 1 458 . 1 1 40 40 LEU HD23 H 1 1.124 0.030 . 1 . . . . 40 LEU HD2 . 10119 1 459 . 1 1 40 40 LEU C C 13 178.293 0.300 . 1 . . . . 40 LEU C . 10119 1 460 . 1 1 40 40 LEU CA C 13 58.206 0.300 . 1 . . . . 40 LEU CA . 10119 1 461 . 1 1 40 40 LEU CB C 13 43.108 0.300 . 1 . . . . 40 LEU CB . 10119 1 462 . 1 1 40 40 LEU CG C 13 27.039 0.300 . 1 . . . . 40 LEU CG . 10119 1 463 . 1 1 40 40 LEU CD1 C 13 26.297 0.300 . 2 . . . . 40 LEU CD1 . 10119 1 464 . 1 1 40 40 LEU CD2 C 13 24.185 0.300 . 2 . . . . 40 LEU CD2 . 10119 1 465 . 1 1 40 40 LEU N N 15 121.163 0.300 . 1 . . . . 40 LEU N . 10119 1 466 . 1 1 41 41 TYR H H 1 8.757 0.030 . 1 . . . . 41 TYR H . 10119 1 467 . 1 1 41 41 TYR HA H 1 4.234 0.030 . 1 . . . . 41 TYR HA . 10119 1 468 . 1 1 41 41 TYR HB2 H 1 3.245 0.030 . 2 . . . . 41 TYR HB2 . 10119 1 469 . 1 1 41 41 TYR HB3 H 1 3.400 0.030 . 2 . . . . 41 TYR HB3 . 10119 1 470 . 1 1 41 41 TYR HD1 H 1 7.193 0.030 . 1 . . . . 41 TYR HD1 . 10119 1 471 . 1 1 41 41 TYR HD2 H 1 7.193 0.030 . 1 . . . . 41 TYR HD2 . 10119 1 472 . 1 1 41 41 TYR HE1 H 1 6.837 0.030 . 1 . . . . 41 TYR HE1 . 10119 1 473 . 1 1 41 41 TYR HE2 H 1 6.837 0.030 . 1 . . . . 41 TYR HE2 . 10119 1 474 . 1 1 41 41 TYR C C 13 177.740 0.300 . 1 . . . . 41 TYR C . 10119 1 475 . 1 1 41 41 TYR CA C 13 62.106 0.300 . 1 . . . . 41 TYR CA . 10119 1 476 . 1 1 41 41 TYR CB C 13 38.885 0.300 . 1 . . . . 41 TYR CB . 10119 1 477 . 1 1 41 41 TYR CD1 C 13 133.094 0.300 . 1 . . . . 41 TYR CD1 . 10119 1 478 . 1 1 41 41 TYR CD2 C 13 133.094 0.300 . 1 . . . . 41 TYR CD2 . 10119 1 479 . 1 1 41 41 TYR CE1 C 13 118.371 0.300 . 1 . . . . 41 TYR CE1 . 10119 1 480 . 1 1 41 41 TYR CE2 C 13 118.371 0.300 . 1 . . . . 41 TYR CE2 . 10119 1 481 . 1 1 41 41 TYR N N 15 120.454 0.300 . 1 . . . . 41 TYR N . 10119 1 482 . 1 1 42 42 LEU H H 1 8.151 0.030 . 1 . . . . 42 LEU H . 10119 1 483 . 1 1 42 42 LEU HA H 1 4.150 0.030 . 1 . . . . 42 LEU HA . 10119 1 484 . 1 1 42 42 LEU HB2 H 1 1.565 0.030 . 2 . . . . 42 LEU HB2 . 10119 1 485 . 1 1 42 42 LEU HB3 H 1 1.913 0.030 . 2 . . . . 42 LEU HB3 . 10119 1 486 . 1 1 42 42 LEU HG H 1 1.943 0.030 . 1 . . . . 42 LEU HG . 10119 1 487 . 1 1 42 42 LEU HD11 H 1 0.955 0.030 . 1 . . . . 42 LEU HD1 . 10119 1 488 . 1 1 42 42 LEU HD12 H 1 0.955 0.030 . 1 . . . . 42 LEU HD1 . 10119 1 489 . 1 1 42 42 LEU HD13 H 1 0.955 0.030 . 1 . . . . 42 LEU HD1 . 10119 1 490 . 1 1 42 42 LEU HD21 H 1 0.960 0.030 . 1 . . . . 42 LEU HD2 . 10119 1 491 . 1 1 42 42 LEU HD22 H 1 0.960 0.030 . 1 . . . . 42 LEU HD2 . 10119 1 492 . 1 1 42 42 LEU HD23 H 1 0.960 0.030 . 1 . . . . 42 LEU HD2 . 10119 1 493 . 1 1 42 42 LEU C C 13 178.845 0.300 . 1 . . . . 42 LEU C . 10119 1 494 . 1 1 42 42 LEU CA C 13 57.352 0.300 . 1 . . . . 42 LEU CA . 10119 1 495 . 1 1 42 42 LEU CB C 13 42.242 0.300 . 1 . . . . 42 LEU CB . 10119 1 496 . 1 1 42 42 LEU CG C 13 27.129 0.300 . 1 . . . . 42 LEU CG . 10119 1 497 . 1 1 42 42 LEU CD1 C 13 23.050 0.300 . 2 . . . . 42 LEU CD1 . 10119 1 498 . 1 1 42 42 LEU CD2 C 13 25.352 0.300 . 2 . . . . 42 LEU CD2 . 10119 1 499 . 1 1 42 42 LEU N N 15 116.509 0.300 . 1 . . . . 42 LEU N . 10119 1 500 . 1 1 43 43 LYS H H 1 7.753 0.030 . 1 . . . . 43 LYS H . 10119 1 501 . 1 1 43 43 LYS HA H 1 3.893 0.030 . 1 . . . . 43 LYS HA . 10119 1 502 . 1 1 43 43 LYS HB2 H 1 1.757 0.030 . 1 . . . . 43 LYS HB2 . 10119 1 503 . 1 1 43 43 LYS HB3 H 1 1.757 0.030 . 1 . . . . 43 LYS HB3 . 10119 1 504 . 1 1 43 43 LYS HG2 H 1 0.130 0.030 . 2 . . . . 43 LYS HG2 . 10119 1 505 . 1 1 43 43 LYS HG3 H 1 0.685 0.030 . 2 . . . . 43 LYS HG3 . 10119 1 506 . 1 1 43 43 LYS HD2 H 1 1.307 0.030 . 2 . . . . 43 LYS HD2 . 10119 1 507 . 1 1 43 43 LYS HD3 H 1 1.421 0.030 . 2 . . . . 43 LYS HD3 . 10119 1 508 . 1 1 43 43 LYS HE2 H 1 2.492 0.030 . 2 . . . . 43 LYS HE2 . 10119 1 509 . 1 1 43 43 LYS HE3 H 1 2.649 0.030 . 2 . . . . 43 LYS HE3 . 10119 1 510 . 1 1 43 43 LYS C C 13 178.380 0.300 . 1 . . . . 43 LYS C . 10119 1 511 . 1 1 43 43 LYS CA C 13 58.633 0.300 . 1 . . . . 43 LYS CA . 10119 1 512 . 1 1 43 43 LYS CB C 13 33.253 0.300 . 1 . . . . 43 LYS CB . 10119 1 513 . 1 1 43 43 LYS CG C 13 24.311 0.300 . 1 . . . . 43 LYS CG . 10119 1 514 . 1 1 43 43 LYS CD C 13 29.500 0.300 . 1 . . . . 43 LYS CD . 10119 1 515 . 1 1 43 43 LYS CE C 13 42.140 0.300 . 1 . . . . 43 LYS CE . 10119 1 516 . 1 1 43 43 LYS N N 15 118.159 0.300 . 1 . . . . 43 LYS N . 10119 1 517 . 1 1 44 44 TRP H H 1 7.791 0.030 . 1 . . . . 44 TRP H . 10119 1 518 . 1 1 44 44 TRP HA H 1 4.838 0.030 . 1 . . . . 44 TRP HA . 10119 1 519 . 1 1 44 44 TRP HB2 H 1 3.000 0.030 . 2 . . . . 44 TRP HB2 . 10119 1 520 . 1 1 44 44 TRP HB3 H 1 3.682 0.030 . 2 . . . . 44 TRP HB3 . 10119 1 521 . 1 1 44 44 TRP HD1 H 1 7.238 0.030 . 1 . . . . 44 TRP HD1 . 10119 1 522 . 1 1 44 44 TRP HE1 H 1 10.457 0.030 . 1 . . . . 44 TRP HE1 . 10119 1 523 . 1 1 44 44 TRP HE3 H 1 7.635 0.030 . 1 . . . . 44 TRP HE3 . 10119 1 524 . 1 1 44 44 TRP HZ2 H 1 7.493 0.030 . 1 . . . . 44 TRP HZ2 . 10119 1 525 . 1 1 44 44 TRP HZ3 H 1 6.926 0.030 . 1 . . . . 44 TRP HZ3 . 10119 1 526 . 1 1 44 44 TRP HH2 H 1 7.208 0.030 . 1 . . . . 44 TRP HH2 . 10119 1 527 . 1 1 44 44 TRP C C 13 173.811 0.300 . 1 . . . . 44 TRP C . 10119 1 528 . 1 1 44 44 TRP CA C 13 56.798 0.300 . 1 . . . . 44 TRP CA . 10119 1 529 . 1 1 44 44 TRP CB C 13 30.629 0.300 . 1 . . . . 44 TRP CB . 10119 1 530 . 1 1 44 44 TRP CD1 C 13 126.045 0.300 . 1 . . . . 44 TRP CD1 . 10119 1 531 . 1 1 44 44 TRP CE3 C 13 120.247 0.300 . 1 . . . . 44 TRP CE3 . 10119 1 532 . 1 1 44 44 TRP CZ2 C 13 115.030 0.300 . 1 . . . . 44 TRP CZ2 . 10119 1 533 . 1 1 44 44 TRP CZ3 C 13 120.978 0.300 . 1 . . . . 44 TRP CZ3 . 10119 1 534 . 1 1 44 44 TRP CH2 C 13 124.806 0.300 . 1 . . . . 44 TRP CH2 . 10119 1 535 . 1 1 44 44 TRP N N 15 114.807 0.300 . 1 . . . . 44 TRP N . 10119 1 536 . 1 1 44 44 TRP NE1 N 15 127.473 0.300 . 1 . . . . 44 TRP NE1 . 10119 1 537 . 1 1 45 45 HIS H H 1 7.550 0.030 . 1 . . . . 45 HIS H . 10119 1 538 . 1 1 45 45 HIS HA H 1 3.442 0.030 . 1 . . . . 45 HIS HA . 10119 1 539 . 1 1 45 45 HIS HB2 H 1 2.638 0.030 . 2 . . . . 45 HIS HB2 . 10119 1 540 . 1 1 45 45 HIS HB3 H 1 3.134 0.030 . 2 . . . . 45 HIS HB3 . 10119 1 541 . 1 1 45 45 HIS HD2 H 1 6.649 0.030 . 1 . . . . 45 HIS HD2 . 10119 1 542 . 1 1 45 45 HIS HE1 H 1 7.696 0.030 . 1 . . . . 45 HIS HE1 . 10119 1 543 . 1 1 45 45 HIS CA C 13 56.609 0.300 . 1 . . . . 45 HIS CA . 10119 1 544 . 1 1 45 45 HIS CB C 13 30.254 0.300 . 1 . . . . 45 HIS CB . 10119 1 545 . 1 1 45 45 HIS CD2 C 13 118.294 0.300 . 1 . . . . 45 HIS CD2 . 10119 1 546 . 1 1 45 45 HIS CE1 C 13 138.843 0.300 . 1 . . . . 45 HIS CE1 . 10119 1 547 . 1 1 45 45 HIS N N 15 120.480 0.300 . 1 . . . . 45 HIS N . 10119 1 548 . 1 1 46 46 PRO HA H 1 4.002 0.030 . 1 . . . . 46 PRO HA . 10119 1 549 . 1 1 46 46 PRO HB2 H 1 1.826 0.030 . 2 . . . . 46 PRO HB2 . 10119 1 550 . 1 1 46 46 PRO HB3 H 1 1.945 0.030 . 2 . . . . 46 PRO HB3 . 10119 1 551 . 1 1 46 46 PRO HG2 H 1 1.601 0.030 . 2 . . . . 46 PRO HG2 . 10119 1 552 . 1 1 46 46 PRO HG3 H 1 1.733 0.030 . 2 . . . . 46 PRO HG3 . 10119 1 553 . 1 1 46 46 PRO HD2 H 1 1.788 0.030 . 2 . . . . 46 PRO HD2 . 10119 1 554 . 1 1 46 46 PRO HD3 H 1 2.738 0.030 . 2 . . . . 46 PRO HD3 . 10119 1 555 . 1 1 46 46 PRO CA C 13 65.692 0.300 . 1 . . . . 46 PRO CA . 10119 1 556 . 1 1 46 46 PRO CB C 13 31.844 0.300 . 1 . . . . 46 PRO CB . 10119 1 557 . 1 1 46 46 PRO CD C 13 49.998 0.300 . 1 . . . . 46 PRO CD . 10119 1 558 . 1 1 47 47 ASP H H 1 10.470 0.030 . 1 . . . . 47 ASP H . 10119 1 559 . 1 1 47 47 ASP HA H 1 4.552 0.030 . 1 . . . . 47 ASP HA . 10119 1 560 . 1 1 47 47 ASP HB2 H 1 2.677 0.030 . 2 . . . . 47 ASP HB2 . 10119 1 561 . 1 1 47 47 ASP HB3 H 1 2.744 0.030 . 2 . . . . 47 ASP HB3 . 10119 1 562 . 1 1 47 47 ASP CA C 13 56.355 0.300 . 1 . . . . 47 ASP CA . 10119 1 563 . 1 1 47 47 ASP CB C 13 40.267 0.300 . 1 . . . . 47 ASP CB . 10119 1 564 . 1 1 47 47 ASP N N 15 120.822 0.300 . 1 . . . . 47 ASP N . 10119 1 565 . 1 1 48 48 LYS H H 1 7.901 0.030 . 1 . . . . 48 LYS H . 10119 1 566 . 1 1 48 48 LYS HA H 1 4.434 0.030 . 1 . . . . 48 LYS HA . 10119 1 567 . 1 1 48 48 LYS HB2 H 1 1.863 0.030 . 2 . . . . 48 LYS HB2 . 10119 1 568 . 1 1 48 48 LYS HB3 H 1 2.106 0.030 . 2 . . . . 48 LYS HB3 . 10119 1 569 . 1 1 48 48 LYS HG2 H 1 1.334 0.030 . 2 . . . . 48 LYS HG2 . 10119 1 570 . 1 1 48 48 LYS HG3 H 1 1.564 0.030 . 2 . . . . 48 LYS HG3 . 10119 1 571 . 1 1 48 48 LYS HD2 H 1 1.574 0.030 . 2 . . . . 48 LYS HD2 . 10119 1 572 . 1 1 48 48 LYS HD3 H 1 1.650 0.030 . 2 . . . . 48 LYS HD3 . 10119 1 573 . 1 1 48 48 LYS HE2 H 1 2.830 0.030 . 2 . . . . 48 LYS HE2 . 10119 1 574 . 1 1 48 48 LYS HE3 H 1 2.963 0.030 . 2 . . . . 48 LYS HE3 . 10119 1 575 . 1 1 48 48 LYS C C 13 175.674 0.300 . 1 . . . . 48 LYS C . 10119 1 576 . 1 1 48 48 LYS CA C 13 54.678 0.300 . 1 . . . . 48 LYS CA . 10119 1 577 . 1 1 48 48 LYS CB C 13 32.268 0.300 . 1 . . . . 48 LYS CB . 10119 1 578 . 1 1 48 48 LYS CG C 13 24.624 0.300 . 1 . . . . 48 LYS CG . 10119 1 579 . 1 1 48 48 LYS CD C 13 28.117 0.300 . 1 . . . . 48 LYS CD . 10119 1 580 . 1 1 48 48 LYS CE C 13 42.239 0.300 . 1 . . . . 48 LYS CE . 10119 1 581 . 1 1 48 48 LYS N N 15 117.173 0.300 . 1 . . . . 48 LYS N . 10119 1 582 . 1 1 49 49 ASN H H 1 7.715 0.030 . 1 . . . . 49 ASN H . 10119 1 583 . 1 1 49 49 ASN HA H 1 5.171 0.030 . 1 . . . . 49 ASN HA . 10119 1 584 . 1 1 49 49 ASN HB2 H 1 2.320 0.030 . 2 . . . . 49 ASN HB2 . 10119 1 585 . 1 1 49 49 ASN HB3 H 1 2.753 0.030 . 2 . . . . 49 ASN HB3 . 10119 1 586 . 1 1 49 49 ASN HD21 H 1 7.330 0.030 . 1 . . . . 49 ASN HD21 . 10119 1 587 . 1 1 49 49 ASN HD22 H 1 7.330 0.030 . 1 . . . . 49 ASN HD22 . 10119 1 588 . 1 1 49 49 ASN CA C 13 52.217 0.300 . 1 . . . . 49 ASN CA . 10119 1 589 . 1 1 49 49 ASN CB C 13 41.551 0.300 . 1 . . . . 49 ASN CB . 10119 1 590 . 1 1 49 49 ASN N N 15 118.650 0.300 . 1 . . . . 49 ASN N . 10119 1 591 . 1 1 49 49 ASN ND2 N 15 115.492 0.300 . 1 . . . . 49 ASN ND2 . 10119 1 592 . 1 1 50 50 PRO HA H 1 4.442 0.030 . 1 . . . . 50 PRO HA . 10119 1 593 . 1 1 50 50 PRO HB2 H 1 2.028 0.030 . 2 . . . . 50 PRO HB2 . 10119 1 594 . 1 1 50 50 PRO HB3 H 1 2.273 0.030 . 2 . . . . 50 PRO HB3 . 10119 1 595 . 1 1 50 50 PRO HG2 H 1 1.987 0.030 . 2 . . . . 50 PRO HG2 . 10119 1 596 . 1 1 50 50 PRO HG3 H 1 2.032 0.030 . 2 . . . . 50 PRO HG3 . 10119 1 597 . 1 1 50 50 PRO HD2 H 1 3.429 0.030 . 2 . . . . 50 PRO HD2 . 10119 1 598 . 1 1 50 50 PRO HD3 H 1 3.724 0.030 . 2 . . . . 50 PRO HD3 . 10119 1 599 . 1 1 50 50 PRO CA C 13 64.980 0.300 . 1 . . . . 50 PRO CA . 10119 1 600 . 1 1 50 50 PRO CB C 13 31.475 0.300 . 1 . . . . 50 PRO CB . 10119 1 601 . 1 1 50 50 PRO CG C 13 27.426 0.300 . 1 . . . . 50 PRO CG . 10119 1 602 . 1 1 50 50 PRO CD C 13 50.633 0.300 . 1 . . . . 50 PRO CD . 10119 1 603 . 1 1 51 51 GLU H H 1 8.651 0.030 . 1 . . . . 51 GLU H . 10119 1 604 . 1 1 51 51 GLU HA H 1 4.346 0.030 . 1 . . . . 51 GLU HA . 10119 1 605 . 1 1 51 51 GLU HB2 H 1 1.954 0.030 . 2 . . . . 51 GLU HB2 . 10119 1 606 . 1 1 51 51 GLU HB3 H 1 2.097 0.030 . 2 . . . . 51 GLU HB3 . 10119 1 607 . 1 1 51 51 GLU HG2 H 1 2.287 0.030 . 1 . . . . 51 GLU HG2 . 10119 1 608 . 1 1 51 51 GLU HG3 H 1 2.287 0.030 . 1 . . . . 51 GLU HG3 . 10119 1 609 . 1 1 51 51 GLU C C 13 176.343 0.300 . 1 . . . . 51 GLU C . 10119 1 610 . 1 1 51 51 GLU CA C 13 57.223 0.300 . 1 . . . . 51 GLU CA . 10119 1 611 . 1 1 51 51 GLU CB C 13 29.404 0.300 . 1 . . . . 51 GLU CB . 10119 1 612 . 1 1 51 51 GLU CG C 13 36.412 0.300 . 1 . . . . 51 GLU CG . 10119 1 613 . 1 1 51 51 GLU N N 15 117.643 0.300 . 1 . . . . 51 GLU N . 10119 1 614 . 1 1 52 52 ASN H H 1 7.982 0.030 . 1 . . . . 52 ASN H . 10119 1 615 . 1 1 52 52 ASN HA H 1 5.049 0.030 . 1 . . . . 52 ASN HA . 10119 1 616 . 1 1 52 52 ASN HB2 H 1 2.670 0.030 . 2 . . . . 52 ASN HB2 . 10119 1 617 . 1 1 52 52 ASN HB3 H 1 2.934 0.030 . 2 . . . . 52 ASN HB3 . 10119 1 618 . 1 1 52 52 ASN HD21 H 1 6.942 0.030 . 2 . . . . 52 ASN HD21 . 10119 1 619 . 1 1 52 52 ASN HD22 H 1 7.825 0.030 . 2 . . . . 52 ASN HD22 . 10119 1 620 . 1 1 52 52 ASN CA C 13 52.423 0.300 . 1 . . . . 52 ASN CA . 10119 1 621 . 1 1 52 52 ASN CB C 13 39.266 0.300 . 1 . . . . 52 ASN CB . 10119 1 622 . 1 1 52 52 ASN N N 15 118.902 0.300 . 1 . . . . 52 ASN N . 10119 1 623 . 1 1 52 52 ASN ND2 N 15 112.535 0.300 . 1 . . . . 52 ASN ND2 . 10119 1 624 . 1 1 53 53 HIS H H 1 8.065 0.030 . 1 . . . . 53 HIS H . 10119 1 625 . 1 1 53 53 HIS HA H 1 4.241 0.030 . 1 . . . . 53 HIS HA . 10119 1 626 . 1 1 53 53 HIS HB2 H 1 3.235 0.030 . 2 . . . . 53 HIS HB2 . 10119 1 627 . 1 1 53 53 HIS HB3 H 1 3.363 0.030 . 2 . . . . 53 HIS HB3 . 10119 1 628 . 1 1 53 53 HIS HD2 H 1 7.310 0.030 . 1 . . . . 53 HIS HD2 . 10119 1 629 . 1 1 53 53 HIS C C 13 176.314 0.300 . 1 . . . . 53 HIS C . 10119 1 630 . 1 1 53 53 HIS CA C 13 60.206 0.300 . 1 . . . . 53 HIS CA . 10119 1 631 . 1 1 53 53 HIS CB C 13 29.598 0.300 . 1 . . . . 53 HIS CB . 10119 1 632 . 1 1 53 53 HIS CD2 C 13 120.835 0.300 . 1 . . . . 53 HIS CD2 . 10119 1 633 . 1 1 54 54 ASP H H 1 8.605 0.030 . 1 . . . . 54 ASP H . 10119 1 634 . 1 1 54 54 ASP HA H 1 4.481 0.030 . 1 . . . . 54 ASP HA . 10119 1 635 . 1 1 54 54 ASP HB2 H 1 2.741 0.030 . 1 . . . . 54 ASP HB2 . 10119 1 636 . 1 1 54 54 ASP HB3 H 1 2.741 0.030 . 1 . . . . 54 ASP HB3 . 10119 1 637 . 1 1 54 54 ASP C C 13 178.845 0.300 . 1 . . . . 54 ASP C . 10119 1 638 . 1 1 54 54 ASP CA C 13 57.456 0.300 . 1 . . . . 54 ASP CA . 10119 1 639 . 1 1 54 54 ASP CB C 13 40.267 0.300 . 1 . . . . 54 ASP CB . 10119 1 640 . 1 1 54 54 ASP N N 15 119.069 0.300 . 1 . . . . 54 ASP N . 10119 1 641 . 1 1 55 55 ILE H H 1 8.107 0.030 . 1 . . . . 55 ILE H . 10119 1 642 . 1 1 55 55 ILE HA H 1 3.990 0.030 . 1 . . . . 55 ILE HA . 10119 1 643 . 1 1 55 55 ILE HB H 1 1.918 0.030 . 1 . . . . 55 ILE HB . 10119 1 644 . 1 1 55 55 ILE HG12 H 1 1.193 0.030 . 2 . . . . 55 ILE HG12 . 10119 1 645 . 1 1 55 55 ILE HG13 H 1 1.583 0.030 . 2 . . . . 55 ILE HG13 . 10119 1 646 . 1 1 55 55 ILE HG21 H 1 0.974 0.030 . 1 . . . . 55 ILE HG2 . 10119 1 647 . 1 1 55 55 ILE HG22 H 1 0.974 0.030 . 1 . . . . 55 ILE HG2 . 10119 1 648 . 1 1 55 55 ILE HG23 H 1 0.974 0.030 . 1 . . . . 55 ILE HG2 . 10119 1 649 . 1 1 55 55 ILE HD11 H 1 0.907 0.030 . 1 . . . . 55 ILE HD1 . 10119 1 650 . 1 1 55 55 ILE HD12 H 1 0.907 0.030 . 1 . . . . 55 ILE HD1 . 10119 1 651 . 1 1 55 55 ILE HD13 H 1 0.907 0.030 . 1 . . . . 55 ILE HD1 . 10119 1 652 . 1 1 55 55 ILE C C 13 177.449 0.300 . 1 . . . . 55 ILE C . 10119 1 653 . 1 1 55 55 ILE CA C 13 63.556 0.300 . 1 . . . . 55 ILE CA . 10119 1 654 . 1 1 55 55 ILE CB C 13 37.897 0.300 . 1 . . . . 55 ILE CB . 10119 1 655 . 1 1 55 55 ILE CG1 C 13 28.611 0.300 . 1 . . . . 55 ILE CG1 . 10119 1 656 . 1 1 55 55 ILE CG2 C 13 17.452 0.300 . 1 . . . . 55 ILE CG2 . 10119 1 657 . 1 1 55 55 ILE CD1 C 13 12.870 0.300 . 1 . . . . 55 ILE CD1 . 10119 1 658 . 1 1 55 55 ILE N N 15 119.897 0.300 . 1 . . . . 55 ILE N . 10119 1 659 . 1 1 56 56 ALA H H 1 8.236 0.030 . 1 . . . . 56 ALA H . 10119 1 660 . 1 1 56 56 ALA HA H 1 4.366 0.030 . 1 . . . . 56 ALA HA . 10119 1 661 . 1 1 56 56 ALA HB1 H 1 1.662 0.030 . 1 . . . . 56 ALA HB . 10119 1 662 . 1 1 56 56 ALA HB2 H 1 1.662 0.030 . 1 . . . . 56 ALA HB . 10119 1 663 . 1 1 56 56 ALA HB3 H 1 1.662 0.030 . 1 . . . . 56 ALA HB . 10119 1 664 . 1 1 56 56 ALA C C 13 178.729 0.300 . 1 . . . . 56 ALA C . 10119 1 665 . 1 1 56 56 ALA CA C 13 56.131 0.300 . 1 . . . . 56 ALA CA . 10119 1 666 . 1 1 56 56 ALA CB C 13 18.048 0.300 . 1 . . . . 56 ALA CB . 10119 1 667 . 1 1 56 56 ALA N N 15 121.992 0.300 . 1 . . . . 56 ALA N . 10119 1 668 . 1 1 57 57 ASN H H 1 8.451 0.030 . 1 . . . . 57 ASN H . 10119 1 669 . 1 1 57 57 ASN HA H 1 4.409 0.030 . 1 . . . . 57 ASN HA . 10119 1 670 . 1 1 57 57 ASN HB2 H 1 2.766 0.030 . 2 . . . . 57 ASN HB2 . 10119 1 671 . 1 1 57 57 ASN HB3 H 1 2.854 0.030 . 2 . . . . 57 ASN HB3 . 10119 1 672 . 1 1 57 57 ASN HD21 H 1 6.826 0.030 . 2 . . . . 57 ASN HD21 . 10119 1 673 . 1 1 57 57 ASN HD22 H 1 7.675 0.030 . 2 . . . . 57 ASN HD22 . 10119 1 674 . 1 1 57 57 ASN C C 13 177.623 0.300 . 1 . . . . 57 ASN C . 10119 1 675 . 1 1 57 57 ASN CA C 13 56.741 0.300 . 1 . . . . 57 ASN CA . 10119 1 676 . 1 1 57 57 ASN CB C 13 38.786 0.300 . 1 . . . . 57 ASN CB . 10119 1 677 . 1 1 57 57 ASN N N 15 114.464 0.300 . 1 . . . . 57 ASN N . 10119 1 678 . 1 1 57 57 ASN ND2 N 15 112.233 0.300 . 1 . . . . 57 ASN ND2 . 10119 1 679 . 1 1 58 58 GLU H H 1 7.601 0.030 . 1 . . . . 58 GLU H . 10119 1 680 . 1 1 58 58 GLU HA H 1 4.095 0.030 . 1 . . . . 58 GLU HA . 10119 1 681 . 1 1 58 58 GLU HB2 H 1 2.051 0.030 . 2 . . . . 58 GLU HB2 . 10119 1 682 . 1 1 58 58 GLU HB3 H 1 2.146 0.030 . 2 . . . . 58 GLU HB3 . 10119 1 683 . 1 1 58 58 GLU HG2 H 1 2.301 0.030 . 2 . . . . 58 GLU HG2 . 10119 1 684 . 1 1 58 58 GLU HG3 H 1 2.412 0.030 . 2 . . . . 58 GLU HG3 . 10119 1 685 . 1 1 58 58 GLU C C 13 179.602 0.300 . 1 . . . . 58 GLU C . 10119 1 686 . 1 1 58 58 GLU CA C 13 59.327 0.300 . 1 . . . . 58 GLU CA . 10119 1 687 . 1 1 58 58 GLU CB C 13 29.799 0.300 . 1 . . . . 58 GLU CB . 10119 1 688 . 1 1 58 58 GLU CG C 13 36.116 0.300 . 1 . . . . 58 GLU CG . 10119 1 689 . 1 1 58 58 GLU N N 15 118.408 0.300 . 1 . . . . 58 GLU N . 10119 1 690 . 1 1 59 59 VAL H H 1 8.475 0.030 . 1 . . . . 59 VAL H . 10119 1 691 . 1 1 59 59 VAL HA H 1 3.212 0.030 . 1 . . . . 59 VAL HA . 10119 1 692 . 1 1 59 59 VAL HB H 1 1.503 0.030 . 1 . . . . 59 VAL HB . 10119 1 693 . 1 1 59 59 VAL HG11 H 1 -0.401 0.030 . 1 . . . . 59 VAL HG1 . 10119 1 694 . 1 1 59 59 VAL HG12 H 1 -0.401 0.030 . 1 . . . . 59 VAL HG1 . 10119 1 695 . 1 1 59 59 VAL HG13 H 1 -0.401 0.030 . 1 . . . . 59 VAL HG1 . 10119 1 696 . 1 1 59 59 VAL HG21 H 1 0.346 0.030 . 1 . . . . 59 VAL HG2 . 10119 1 697 . 1 1 59 59 VAL HG22 H 1 0.346 0.030 . 1 . . . . 59 VAL HG2 . 10119 1 698 . 1 1 59 59 VAL HG23 H 1 0.346 0.030 . 1 . . . . 59 VAL HG2 . 10119 1 699 . 1 1 59 59 VAL C C 13 177.216 0.300 . 1 . . . . 59 VAL C . 10119 1 700 . 1 1 59 59 VAL CA C 13 66.656 0.300 . 1 . . . . 59 VAL CA . 10119 1 701 . 1 1 59 59 VAL CB C 13 31.503 0.300 . 1 . . . . 59 VAL CB . 10119 1 702 . 1 1 59 59 VAL CG1 C 13 21.018 0.300 . 2 . . . . 59 VAL CG1 . 10119 1 703 . 1 1 59 59 VAL CG2 C 13 22.389 0.300 . 2 . . . . 59 VAL CG2 . 10119 1 704 . 1 1 59 59 VAL N N 15 121.519 0.300 . 1 . . . . 59 VAL N . 10119 1 705 . 1 1 60 60 PHE H H 1 9.262 0.030 . 1 . . . . 60 PHE H . 10119 1 706 . 1 1 60 60 PHE HA H 1 4.022 0.030 . 1 . . . . 60 PHE HA . 10119 1 707 . 1 1 60 60 PHE HB2 H 1 3.015 0.030 . 2 . . . . 60 PHE HB2 . 10119 1 708 . 1 1 60 60 PHE HB3 H 1 3.619 0.030 . 2 . . . . 60 PHE HB3 . 10119 1 709 . 1 1 60 60 PHE HD1 H 1 7.038 0.030 . 1 . . . . 60 PHE HD1 . 10119 1 710 . 1 1 60 60 PHE HD2 H 1 7.038 0.030 . 1 . . . . 60 PHE HD2 . 10119 1 711 . 1 1 60 60 PHE HE1 H 1 7.038 0.030 . 1 . . . . 60 PHE HE1 . 10119 1 712 . 1 1 60 60 PHE HE2 H 1 7.038 0.030 . 1 . . . . 60 PHE HE2 . 10119 1 713 . 1 1 60 60 PHE HZ H 1 7.121 0.030 . 1 . . . . 60 PHE HZ . 10119 1 714 . 1 1 60 60 PHE C C 13 177.623 0.300 . 1 . . . . 60 PHE C . 10119 1 715 . 1 1 60 60 PHE CA C 13 62.045 0.300 . 1 . . . . 60 PHE CA . 10119 1 716 . 1 1 60 60 PHE CB C 13 39.477 0.300 . 1 . . . . 60 PHE CB . 10119 1 717 . 1 1 60 60 PHE CD1 C 13 131.324 0.300 . 1 . . . . 60 PHE CD1 . 10119 1 718 . 1 1 60 60 PHE CD2 C 13 131.324 0.300 . 1 . . . . 60 PHE CD2 . 10119 1 719 . 1 1 60 60 PHE CE1 C 13 131.324 0.300 . 1 . . . . 60 PHE CE1 . 10119 1 720 . 1 1 60 60 PHE CE2 C 13 131.324 0.300 . 1 . . . . 60 PHE CE2 . 10119 1 721 . 1 1 60 60 PHE CZ C 13 130.152 0.300 . 1 . . . . 60 PHE CZ . 10119 1 722 . 1 1 60 60 PHE N N 15 121.151 0.300 . 1 . . . . 60 PHE N . 10119 1 723 . 1 1 61 61 LYS H H 1 7.884 0.030 . 1 . . . . 61 LYS H . 10119 1 724 . 1 1 61 61 LYS HA H 1 3.964 0.030 . 1 . . . . 61 LYS HA . 10119 1 725 . 1 1 61 61 LYS HB2 H 1 1.881 0.030 . 1 . . . . 61 LYS HB2 . 10119 1 726 . 1 1 61 61 LYS HB3 H 1 1.881 0.030 . 1 . . . . 61 LYS HB3 . 10119 1 727 . 1 1 61 61 LYS HG2 H 1 1.488 0.030 . 2 . . . . 61 LYS HG2 . 10119 1 728 . 1 1 61 61 LYS HG3 H 1 1.716 0.030 . 2 . . . . 61 LYS HG3 . 10119 1 729 . 1 1 61 61 LYS HD2 H 1 1.735 0.030 . 1 . . . . 61 LYS HD2 . 10119 1 730 . 1 1 61 61 LYS HD3 H 1 1.735 0.030 . 1 . . . . 61 LYS HD3 . 10119 1 731 . 1 1 61 61 LYS HE2 H 1 3.014 0.030 . 1 . . . . 61 LYS HE2 . 10119 1 732 . 1 1 61 61 LYS HE3 H 1 3.014 0.030 . 1 . . . . 61 LYS HE3 . 10119 1 733 . 1 1 61 61 LYS C C 13 178.554 0.300 . 1 . . . . 61 LYS C . 10119 1 734 . 1 1 61 61 LYS CA C 13 59.528 0.300 . 1 . . . . 61 LYS CA . 10119 1 735 . 1 1 61 61 LYS CB C 13 32.367 0.300 . 1 . . . . 61 LYS CB . 10119 1 736 . 1 1 61 61 LYS CG C 13 25.154 0.300 . 1 . . . . 61 LYS CG . 10119 1 737 . 1 1 61 61 LYS CD C 13 29.401 0.300 . 1 . . . . 61 LYS CD . 10119 1 738 . 1 1 61 61 LYS CE C 13 42.041 0.300 . 1 . . . . 61 LYS CE . 10119 1 739 . 1 1 61 61 LYS N N 15 117.888 0.300 . 1 . . . . 61 LYS N . 10119 1 740 . 1 1 62 62 HIS H H 1 7.647 0.030 . 1 . . . . 62 HIS H . 10119 1 741 . 1 1 62 62 HIS HA H 1 4.393 0.030 . 1 . . . . 62 HIS HA . 10119 1 742 . 1 1 62 62 HIS HB2 H 1 2.983 0.030 . 2 . . . . 62 HIS HB2 . 10119 1 743 . 1 1 62 62 HIS HB3 H 1 3.254 0.030 . 2 . . . . 62 HIS HB3 . 10119 1 744 . 1 1 62 62 HIS HD2 H 1 6.454 0.030 . 1 . . . . 62 HIS HD2 . 10119 1 745 . 1 1 62 62 HIS HE1 H 1 7.482 0.030 . 1 . . . . 62 HIS HE1 . 10119 1 746 . 1 1 62 62 HIS C C 13 176.576 0.300 . 1 . . . . 62 HIS C . 10119 1 747 . 1 1 62 62 HIS CA C 13 59.871 0.300 . 1 . . . . 62 HIS CA . 10119 1 748 . 1 1 62 62 HIS CB C 13 31.608 0.300 . 1 . . . . 62 HIS CB . 10119 1 749 . 1 1 62 62 HIS CD2 C 13 115.984 0.300 . 1 . . . . 62 HIS CD2 . 10119 1 750 . 1 1 62 62 HIS CE1 C 13 138.606 0.300 . 1 . . . . 62 HIS CE1 . 10119 1 751 . 1 1 62 62 HIS N N 15 119.649 0.300 . 1 . . . . 62 HIS N . 10119 1 752 . 1 1 63 63 LEU H H 1 8.814 0.030 . 1 . . . . 63 LEU H . 10119 1 753 . 1 1 63 63 LEU HA H 1 3.541 0.030 . 1 . . . . 63 LEU HA . 10119 1 754 . 1 1 63 63 LEU HB2 H 1 1.265 0.030 . 2 . . . . 63 LEU HB2 . 10119 1 755 . 1 1 63 63 LEU HB3 H 1 2.121 0.030 . 2 . . . . 63 LEU HB3 . 10119 1 756 . 1 1 63 63 LEU HG H 1 1.452 0.030 . 1 . . . . 63 LEU HG . 10119 1 757 . 1 1 63 63 LEU HD11 H 1 0.860 0.030 . 1 . . . . 63 LEU HD1 . 10119 1 758 . 1 1 63 63 LEU HD12 H 1 0.860 0.030 . 1 . . . . 63 LEU HD1 . 10119 1 759 . 1 1 63 63 LEU HD13 H 1 0.860 0.030 . 1 . . . . 63 LEU HD1 . 10119 1 760 . 1 1 63 63 LEU HD21 H 1 0.855 0.030 . 1 . . . . 63 LEU HD2 . 10119 1 761 . 1 1 63 63 LEU HD22 H 1 0.855 0.030 . 1 . . . . 63 LEU HD2 . 10119 1 762 . 1 1 63 63 LEU HD23 H 1 0.855 0.030 . 1 . . . . 63 LEU HD2 . 10119 1 763 . 1 1 63 63 LEU C C 13 177.565 0.300 . 1 . . . . 63 LEU C . 10119 1 764 . 1 1 63 63 LEU CA C 13 58.576 0.300 . 1 . . . . 63 LEU CA . 10119 1 765 . 1 1 63 63 LEU CB C 13 41.571 0.300 . 1 . . . . 63 LEU CB . 10119 1 766 . 1 1 63 63 LEU CG C 13 27.051 0.300 . 1 . . . . 63 LEU CG . 10119 1 767 . 1 1 63 63 LEU CD1 C 13 24.893 0.300 . 2 . . . . 63 LEU CD1 . 10119 1 768 . 1 1 63 63 LEU CD2 C 13 26.572 0.300 . 2 . . . . 63 LEU CD2 . 10119 1 769 . 1 1 63 63 LEU N N 15 119.572 0.300 . 1 . . . . 63 LEU N . 10119 1 770 . 1 1 64 64 GLN H H 1 7.865 0.030 . 1 . . . . 64 GLN H . 10119 1 771 . 1 1 64 64 GLN HA H 1 3.834 0.030 . 1 . . . . 64 GLN HA . 10119 1 772 . 1 1 64 64 GLN HB2 H 1 1.900 0.030 . 2 . . . . 64 GLN HB2 . 10119 1 773 . 1 1 64 64 GLN HB3 H 1 2.014 0.030 . 2 . . . . 64 GLN HB3 . 10119 1 774 . 1 1 64 64 GLN HG2 H 1 1.910 0.030 . 2 . . . . 64 GLN HG2 . 10119 1 775 . 1 1 64 64 GLN HG3 H 1 2.003 0.030 . 2 . . . . 64 GLN HG3 . 10119 1 776 . 1 1 64 64 GLN HE21 H 1 6.845 0.030 . 2 . . . . 64 GLN HE21 . 10119 1 777 . 1 1 64 64 GLN HE22 H 1 6.684 0.030 . 2 . . . . 64 GLN HE22 . 10119 1 778 . 1 1 64 64 GLN C C 13 178.816 0.300 . 1 . . . . 64 GLN C . 10119 1 779 . 1 1 64 64 GLN CA C 13 59.213 0.300 . 1 . . . . 64 GLN CA . 10119 1 780 . 1 1 64 64 GLN CB C 13 29.108 0.300 . 1 . . . . 64 GLN CB . 10119 1 781 . 1 1 64 64 GLN CG C 13 34.339 0.300 . 1 . . . . 64 GLN CG . 10119 1 782 . 1 1 64 64 GLN N N 15 115.593 0.300 . 1 . . . . 64 GLN N . 10119 1 783 . 1 1 64 64 GLN NE2 N 15 112.524 0.300 . 1 . . . . 64 GLN NE2 . 10119 1 784 . 1 1 65 65 ASN H H 1 8.196 0.030 . 1 . . . . 65 ASN H . 10119 1 785 . 1 1 65 65 ASN HA H 1 4.387 0.030 . 1 . . . . 65 ASN HA . 10119 1 786 . 1 1 65 65 ASN HB2 H 1 2.877 0.030 . 2 . . . . 65 ASN HB2 . 10119 1 787 . 1 1 65 65 ASN HB3 H 1 3.066 0.030 . 2 . . . . 65 ASN HB3 . 10119 1 788 . 1 1 65 65 ASN HD21 H 1 6.785 0.030 . 2 . . . . 65 ASN HD21 . 10119 1 789 . 1 1 65 65 ASN HD22 H 1 7.723 0.030 . 2 . . . . 65 ASN HD22 . 10119 1 790 . 1 1 65 65 ASN C C 13 178.554 0.300 . 1 . . . . 65 ASN C . 10119 1 791 . 1 1 65 65 ASN CA C 13 55.969 0.300 . 1 . . . . 65 ASN CA . 10119 1 792 . 1 1 65 65 ASN CB C 13 37.839 0.300 . 1 . . . . 65 ASN CB . 10119 1 793 . 1 1 65 65 ASN N N 15 119.000 0.300 . 1 . . . . 65 ASN N . 10119 1 794 . 1 1 65 65 ASN ND2 N 15 111.891 0.300 . 1 . . . . 65 ASN ND2 . 10119 1 795 . 1 1 66 66 GLU H H 1 8.720 0.030 . 1 . . . . 66 GLU H . 10119 1 796 . 1 1 66 66 GLU HA H 1 4.631 0.030 . 1 . . . . 66 GLU HA . 10119 1 797 . 1 1 66 66 GLU HB2 H 1 1.589 0.030 . 2 . . . . 66 GLU HB2 . 10119 1 798 . 1 1 66 66 GLU HB3 H 1 1.899 0.030 . 2 . . . . 66 GLU HB3 . 10119 1 799 . 1 1 66 66 GLU HG2 H 1 1.221 0.030 . 2 . . . . 66 GLU HG2 . 10119 1 800 . 1 1 66 66 GLU HG3 H 1 1.640 0.030 . 2 . . . . 66 GLU HG3 . 10119 1 801 . 1 1 66 66 GLU C C 13 178.293 0.300 . 1 . . . . 66 GLU C . 10119 1 802 . 1 1 66 66 GLU CA C 13 57.591 0.300 . 1 . . . . 66 GLU CA . 10119 1 803 . 1 1 66 66 GLU CB C 13 29.898 0.300 . 1 . . . . 66 GLU CB . 10119 1 804 . 1 1 66 66 GLU CG C 13 35.820 0.300 . 1 . . . . 66 GLU CG . 10119 1 805 . 1 1 66 66 GLU N N 15 122.331 0.300 . 1 . . . . 66 GLU N . 10119 1 806 . 1 1 67 67 ILE H H 1 8.288 0.030 . 1 . . . . 67 ILE H . 10119 1 807 . 1 1 67 67 ILE HA H 1 3.353 0.030 . 1 . . . . 67 ILE HA . 10119 1 808 . 1 1 67 67 ILE HB H 1 1.863 0.030 . 1 . . . . 67 ILE HB . 10119 1 809 . 1 1 67 67 ILE HG12 H 1 1.120 0.030 . 1 . . . . 67 ILE HG12 . 10119 1 810 . 1 1 67 67 ILE HG13 H 1 1.120 0.030 . 1 . . . . 67 ILE HG13 . 10119 1 811 . 1 1 67 67 ILE HG21 H 1 1.060 0.030 . 1 . . . . 67 ILE HG2 . 10119 1 812 . 1 1 67 67 ILE HG22 H 1 1.060 0.030 . 1 . . . . 67 ILE HG2 . 10119 1 813 . 1 1 67 67 ILE HG23 H 1 1.060 0.030 . 1 . . . . 67 ILE HG2 . 10119 1 814 . 1 1 67 67 ILE HD11 H 1 0.945 0.030 . 1 . . . . 67 ILE HD1 . 10119 1 815 . 1 1 67 67 ILE HD12 H 1 0.945 0.030 . 1 . . . . 67 ILE HD1 . 10119 1 816 . 1 1 67 67 ILE HD13 H 1 0.945 0.030 . 1 . . . . 67 ILE HD1 . 10119 1 817 . 1 1 67 67 ILE C C 13 177.623 0.300 . 1 . . . . 67 ILE C . 10119 1 818 . 1 1 67 67 ILE CA C 13 65.606 0.300 . 1 . . . . 67 ILE CA . 10119 1 819 . 1 1 67 67 ILE CB C 13 38.193 0.300 . 1 . . . . 67 ILE CB . 10119 1 820 . 1 1 67 67 ILE CG1 C 13 29.761 0.300 . 1 . . . . 67 ILE CG1 . 10119 1 821 . 1 1 67 67 ILE CG2 C 13 17.208 0.300 . 1 . . . . 67 ILE CG2 . 10119 1 822 . 1 1 67 67 ILE CD1 C 13 14.706 0.300 . 1 . . . . 67 ILE CD1 . 10119 1 823 . 1 1 67 67 ILE N N 15 120.517 0.300 . 1 . . . . 67 ILE N . 10119 1 824 . 1 1 68 68 ASN H H 1 7.723 0.030 . 1 . . . . 68 ASN H . 10119 1 825 . 1 1 68 68 ASN HA H 1 4.384 0.030 . 1 . . . . 68 ASN HA . 10119 1 826 . 1 1 68 68 ASN HB2 H 1 2.762 0.030 . 2 . . . . 68 ASN HB2 . 10119 1 827 . 1 1 68 68 ASN HB3 H 1 2.867 0.030 . 2 . . . . 68 ASN HB3 . 10119 1 828 . 1 1 68 68 ASN HD21 H 1 6.910 0.030 . 2 . . . . 68 ASN HD21 . 10119 1 829 . 1 1 68 68 ASN HD22 H 1 7.707 0.030 . 2 . . . . 68 ASN HD22 . 10119 1 830 . 1 1 68 68 ASN C C 13 177.099 0.300 . 1 . . . . 68 ASN C . 10119 1 831 . 1 1 68 68 ASN CA C 13 56.463 0.300 . 1 . . . . 68 ASN CA . 10119 1 832 . 1 1 68 68 ASN CB C 13 38.490 0.300 . 1 . . . . 68 ASN CB . 10119 1 833 . 1 1 68 68 ASN N N 15 116.251 0.300 . 1 . . . . 68 ASN N . 10119 1 834 . 1 1 68 68 ASN ND2 N 15 112.213 0.300 . 1 . . . . 68 ASN ND2 . 10119 1 835 . 1 1 69 69 ARG H H 1 8.140 0.030 . 1 . . . . 69 ARG H . 10119 1 836 . 1 1 69 69 ARG HA H 1 3.908 0.030 . 1 . . . . 69 ARG HA . 10119 1 837 . 1 1 69 69 ARG HB2 H 1 1.698 0.030 . 2 . . . . 69 ARG HB2 . 10119 1 838 . 1 1 69 69 ARG HB3 H 1 2.082 0.030 . 2 . . . . 69 ARG HB3 . 10119 1 839 . 1 1 69 69 ARG HG2 H 1 1.285 0.030 . 2 . . . . 69 ARG HG2 . 10119 1 840 . 1 1 69 69 ARG HG3 H 1 1.455 0.030 . 2 . . . . 69 ARG HG3 . 10119 1 841 . 1 1 69 69 ARG HD2 H 1 2.959 0.030 . 2 . . . . 69 ARG HD2 . 10119 1 842 . 1 1 69 69 ARG HD3 H 1 3.359 0.030 . 2 . . . . 69 ARG HD3 . 10119 1 843 . 1 1 69 69 ARG HE H 1 8.248 0.030 . 1 . . . . 69 ARG HE . 10119 1 844 . 1 1 69 69 ARG C C 13 178.758 0.300 . 1 . . . . 69 ARG C . 10119 1 845 . 1 1 69 69 ARG CA C 13 59.599 0.300 . 1 . . . . 69 ARG CA . 10119 1 846 . 1 1 69 69 ARG CB C 13 30.491 0.300 . 1 . . . . 69 ARG CB . 10119 1 847 . 1 1 69 69 ARG CG C 13 27.228 0.300 . 1 . . . . 69 ARG CG . 10119 1 848 . 1 1 69 69 ARG CD C 13 43.325 0.300 . 1 . . . . 69 ARG CD . 10119 1 849 . 1 1 69 69 ARG N N 15 120.926 0.300 . 1 . . . . 69 ARG N . 10119 1 850 . 1 1 69 69 ARG NE N 15 81.957 0.300 . 1 . . . . 69 ARG NE . 10119 1 851 . 1 1 70 70 LEU H H 1 7.869 0.030 . 1 . . . . 70 LEU H . 10119 1 852 . 1 1 70 70 LEU HA H 1 3.590 0.030 . 1 . . . . 70 LEU HA . 10119 1 853 . 1 1 70 70 LEU HB2 H 1 -0.318 0.030 . 2 . . . . 70 LEU HB2 . 10119 1 854 . 1 1 70 70 LEU HB3 H 1 0.665 0.030 . 2 . . . . 70 LEU HB3 . 10119 1 855 . 1 1 70 70 LEU HG H 1 1.290 0.030 . 1 . . . . 70 LEU HG . 10119 1 856 . 1 1 70 70 LEU HD11 H 1 0.562 0.030 . 1 . . . . 70 LEU HD1 . 10119 1 857 . 1 1 70 70 LEU HD12 H 1 0.562 0.030 . 1 . . . . 70 LEU HD1 . 10119 1 858 . 1 1 70 70 LEU HD13 H 1 0.562 0.030 . 1 . . . . 70 LEU HD1 . 10119 1 859 . 1 1 70 70 LEU HD21 H 1 0.479 0.030 . 1 . . . . 70 LEU HD2 . 10119 1 860 . 1 1 70 70 LEU HD22 H 1 0.479 0.030 . 1 . . . . 70 LEU HD2 . 10119 1 861 . 1 1 70 70 LEU HD23 H 1 0.479 0.030 . 1 . . . . 70 LEU HD2 . 10119 1 862 . 1 1 70 70 LEU C C 13 178.845 0.300 . 1 . . . . 70 LEU C . 10119 1 863 . 1 1 70 70 LEU CA C 13 56.463 0.300 . 1 . . . . 70 LEU CA . 10119 1 864 . 1 1 70 70 LEU CB C 13 38.387 0.300 . 1 . . . . 70 LEU CB . 10119 1 865 . 1 1 70 70 LEU CG C 13 27.456 0.300 . 1 . . . . 70 LEU CG . 10119 1 866 . 1 1 70 70 LEU CD1 C 13 22.235 0.300 . 2 . . . . 70 LEU CD1 . 10119 1 867 . 1 1 70 70 LEU CD2 C 13 25.521 0.300 . 2 . . . . 70 LEU CD2 . 10119 1 868 . 1 1 70 70 LEU N N 15 121.856 0.300 . 1 . . . . 70 LEU N . 10119 1 869 . 1 1 71 71 GLU H H 1 8.249 0.030 . 1 . . . . 71 GLU H . 10119 1 870 . 1 1 71 71 GLU HA H 1 4.076 0.030 . 1 . . . . 71 GLU HA . 10119 1 871 . 1 1 71 71 GLU HB2 H 1 2.064 0.030 . 2 . . . . 71 GLU HB2 . 10119 1 872 . 1 1 71 71 GLU HB3 H 1 2.135 0.030 . 2 . . . . 71 GLU HB3 . 10119 1 873 . 1 1 71 71 GLU HG2 H 1 2.446 0.030 . 2 . . . . 71 GLU HG2 . 10119 1 874 . 1 1 71 71 GLU HG3 H 1 2.644 0.030 . 2 . . . . 71 GLU HG3 . 10119 1 875 . 1 1 71 71 GLU C C 13 179.457 0.300 . 1 . . . . 71 GLU C . 10119 1 876 . 1 1 71 71 GLU CA C 13 59.380 0.300 . 1 . . . . 71 GLU CA . 10119 1 877 . 1 1 71 71 GLU CB C 13 29.876 0.300 . 1 . . . . 71 GLU CB . 10119 1 878 . 1 1 71 71 GLU CG C 13 37.242 0.300 . 1 . . . . 71 GLU CG . 10119 1 879 . 1 1 71 71 GLU N N 15 119.985 0.300 . 1 . . . . 71 GLU N . 10119 1 880 . 1 1 72 72 LYS H H 1 7.806 0.030 . 1 . . . . 72 LYS H . 10119 1 881 . 1 1 72 72 LYS HA H 1 4.158 0.030 . 1 . . . . 72 LYS HA . 10119 1 882 . 1 1 72 72 LYS HB2 H 1 1.896 0.030 . 1 . . . . 72 LYS HB2 . 10119 1 883 . 1 1 72 72 LYS HB3 H 1 1.896 0.030 . 1 . . . . 72 LYS HB3 . 10119 1 884 . 1 1 72 72 LYS HG2 H 1 1.431 0.030 . 2 . . . . 72 LYS HG2 . 10119 1 885 . 1 1 72 72 LYS HG3 H 1 1.552 0.030 . 2 . . . . 72 LYS HG3 . 10119 1 886 . 1 1 72 72 LYS HD2 H 1 1.662 0.030 . 2 . . . . 72 LYS HD2 . 10119 1 887 . 1 1 72 72 LYS HD3 H 1 1.748 0.030 . 2 . . . . 72 LYS HD3 . 10119 1 888 . 1 1 72 72 LYS HE2 H 1 2.963 0.030 . 1 . . . . 72 LYS HE2 . 10119 1 889 . 1 1 72 72 LYS HE3 H 1 2.963 0.030 . 1 . . . . 72 LYS HE3 . 10119 1 890 . 1 1 72 72 LYS C C 13 178.554 0.300 . 1 . . . . 72 LYS C . 10119 1 891 . 1 1 72 72 LYS CA C 13 58.493 0.300 . 1 . . . . 72 LYS CA . 10119 1 892 . 1 1 72 72 LYS CB C 13 32.169 0.300 . 1 . . . . 72 LYS CB . 10119 1 893 . 1 1 72 72 LYS CG C 13 25.056 0.300 . 1 . . . . 72 LYS CG . 10119 1 894 . 1 1 72 72 LYS CD C 13 29.105 0.300 . 1 . . . . 72 LYS CD . 10119 1 895 . 1 1 72 72 LYS CE C 13 42.140 0.300 . 1 . . . . 72 LYS CE . 10119 1 896 . 1 1 72 72 LYS N N 15 118.715 0.300 . 1 . . . . 72 LYS N . 10119 1 897 . 1 1 73 73 GLN H H 1 7.833 0.030 . 1 . . . . 73 GLN H . 10119 1 898 . 1 1 73 73 GLN HA H 1 4.013 0.030 . 1 . . . . 73 GLN HA . 10119 1 899 . 1 1 73 73 GLN HB2 H 1 2.040 0.030 . 1 . . . . 73 GLN HB2 . 10119 1 900 . 1 1 73 73 GLN HB3 H 1 2.040 0.030 . 1 . . . . 73 GLN HB3 . 10119 1 901 . 1 1 73 73 GLN HG2 H 1 2.365 0.030 . 2 . . . . 73 GLN HG2 . 10119 1 902 . 1 1 73 73 GLN HG3 H 1 2.423 0.030 . 2 . . . . 73 GLN HG3 . 10119 1 903 . 1 1 73 73 GLN HE21 H 1 6.855 0.030 . 2 . . . . 73 GLN HE21 . 10119 1 904 . 1 1 73 73 GLN HE22 H 1 7.510 0.030 . 2 . . . . 73 GLN HE22 . 10119 1 905 . 1 1 73 73 GLN C C 13 177.012 0.300 . 1 . . . . 73 GLN C . 10119 1 906 . 1 1 73 73 GLN CA C 13 57.819 0.300 . 1 . . . . 73 GLN CA . 10119 1 907 . 1 1 73 73 GLN CB C 13 28.812 0.300 . 1 . . . . 73 GLN CB . 10119 1 908 . 1 1 73 73 GLN CG C 13 33.944 0.300 . 1 . . . . 73 GLN CG . 10119 1 909 . 1 1 73 73 GLN N N 15 118.845 0.300 . 1 . . . . 73 GLN N . 10119 1 910 . 1 1 73 73 GLN NE2 N 15 112.143 0.300 . 1 . . . . 73 GLN NE2 . 10119 1 911 . 1 1 74 74 ALA H H 1 7.944 0.030 . 1 . . . . 74 ALA H . 10119 1 912 . 1 1 74 74 ALA HA H 1 4.260 0.030 . 1 . . . . 74 ALA HA . 10119 1 913 . 1 1 74 74 ALA HB1 H 1 1.491 0.030 . 1 . . . . 74 ALA HB . 10119 1 914 . 1 1 74 74 ALA HB2 H 1 1.491 0.030 . 1 . . . . 74 ALA HB . 10119 1 915 . 1 1 74 74 ALA HB3 H 1 1.491 0.030 . 1 . . . . 74 ALA HB . 10119 1 916 . 1 1 74 74 ALA C C 13 179.078 0.300 . 1 . . . . 74 ALA C . 10119 1 917 . 1 1 74 74 ALA CA C 13 54.093 0.300 . 1 . . . . 74 ALA CA . 10119 1 918 . 1 1 74 74 ALA CB C 13 18.739 0.300 . 1 . . . . 74 ALA CB . 10119 1 919 . 1 1 74 74 ALA N N 15 121.789 0.300 . 1 . . . . 74 ALA N . 10119 1 920 . 1 1 75 75 PHE H H 1 7.853 0.030 . 1 . . . . 75 PHE H . 10119 1 921 . 1 1 75 75 PHE HA H 1 4.491 0.030 . 1 . . . . 75 PHE HA . 10119 1 922 . 1 1 75 75 PHE HB2 H 1 3.196 0.030 . 2 . . . . 75 PHE HB2 . 10119 1 923 . 1 1 75 75 PHE HB3 H 1 3.267 0.030 . 2 . . . . 75 PHE HB3 . 10119 1 924 . 1 1 75 75 PHE HD1 H 1 7.308 0.030 . 1 . . . . 75 PHE HD1 . 10119 1 925 . 1 1 75 75 PHE HD2 H 1 7.308 0.030 . 1 . . . . 75 PHE HD2 . 10119 1 926 . 1 1 75 75 PHE HE1 H 1 7.397 0.030 . 1 . . . . 75 PHE HE1 . 10119 1 927 . 1 1 75 75 PHE HE2 H 1 7.397 0.030 . 1 . . . . 75 PHE HE2 . 10119 1 928 . 1 1 75 75 PHE C C 13 177.099 0.300 . 1 . . . . 75 PHE C . 10119 1 929 . 1 1 75 75 PHE CA C 13 59.375 0.300 . 1 . . . . 75 PHE CA . 10119 1 930 . 1 1 75 75 PHE CB C 13 39.163 0.300 . 1 . . . . 75 PHE CB . 10119 1 931 . 1 1 75 75 PHE CD1 C 13 131.810 0.300 . 1 . . . . 75 PHE CD1 . 10119 1 932 . 1 1 75 75 PHE CD2 C 13 131.810 0.300 . 1 . . . . 75 PHE CD2 . 10119 1 933 . 1 1 75 75 PHE CE1 C 13 131.632 0.300 . 1 . . . . 75 PHE CE1 . 10119 1 934 . 1 1 75 75 PHE CE2 C 13 131.632 0.300 . 1 . . . . 75 PHE CE2 . 10119 1 935 . 1 1 75 75 PHE N N 15 118.183 0.300 . 1 . . . . 75 PHE N . 10119 1 936 . 1 1 76 76 LEU H H 1 7.994 0.030 . 1 . . . . 76 LEU H . 10119 1 937 . 1 1 76 76 LEU HA H 1 4.168 0.030 . 1 . . . . 76 LEU HA . 10119 1 938 . 1 1 76 76 LEU HB2 H 1 1.589 0.030 . 2 . . . . 76 LEU HB2 . 10119 1 939 . 1 1 76 76 LEU HB3 H 1 1.807 0.030 . 2 . . . . 76 LEU HB3 . 10119 1 940 . 1 1 76 76 LEU HG H 1 1.781 0.030 . 1 . . . . 76 LEU HG . 10119 1 941 . 1 1 76 76 LEU HD11 H 1 0.915 0.030 . 1 . . . . 76 LEU HD1 . 10119 1 942 . 1 1 76 76 LEU HD12 H 1 0.915 0.030 . 1 . . . . 76 LEU HD1 . 10119 1 943 . 1 1 76 76 LEU HD13 H 1 0.915 0.030 . 1 . . . . 76 LEU HD1 . 10119 1 944 . 1 1 76 76 LEU HD21 H 1 0.915 0.030 . 1 . . . . 76 LEU HD2 . 10119 1 945 . 1 1 76 76 LEU HD22 H 1 0.915 0.030 . 1 . . . . 76 LEU HD2 . 10119 1 946 . 1 1 76 76 LEU HD23 H 1 0.915 0.030 . 1 . . . . 76 LEU HD2 . 10119 1 947 . 1 1 76 76 LEU C C 13 178.322 0.300 . 1 . . . . 76 LEU C . 10119 1 948 . 1 1 76 76 LEU CA C 13 56.456 0.300 . 1 . . . . 76 LEU CA . 10119 1 949 . 1 1 76 76 LEU CB C 13 42.075 0.300 . 1 . . . . 76 LEU CB . 10119 1 950 . 1 1 76 76 LEU CG C 13 26.833 0.300 . 1 . . . . 76 LEU CG . 10119 1 951 . 1 1 76 76 LEU CD1 C 13 23.278 0.300 . 2 . . . . 76 LEU CD1 . 10119 1 952 . 1 1 76 76 LEU CD2 C 13 25.154 0.300 . 2 . . . . 76 LEU CD2 . 10119 1 953 . 1 1 76 76 LEU N N 15 121.656 0.300 . 1 . . . . 76 LEU N . 10119 1 954 . 1 1 77 77 ASP H H 1 8.312 0.030 . 1 . . . . 77 ASP H . 10119 1 955 . 1 1 77 77 ASP HA H 1 4.516 0.030 . 1 . . . . 77 ASP HA . 10119 1 956 . 1 1 77 77 ASP HB2 H 1 2.723 0.030 . 1 . . . . 77 ASP HB2 . 10119 1 957 . 1 1 77 77 ASP HB3 H 1 2.723 0.030 . 1 . . . . 77 ASP HB3 . 10119 1 958 . 1 1 77 77 ASP C C 13 177.420 0.300 . 1 . . . . 77 ASP C . 10119 1 959 . 1 1 77 77 ASP CA C 13 55.402 0.300 . 1 . . . . 77 ASP CA . 10119 1 960 . 1 1 77 77 ASP CB C 13 40.959 0.300 . 1 . . . . 77 ASP CB . 10119 1 961 . 1 1 77 77 ASP N N 15 120.383 0.300 . 1 . . . . 77 ASP N . 10119 1 962 . 1 1 78 78 GLN H H 1 8.155 0.030 . 1 . . . . 78 GLN H . 10119 1 963 . 1 1 78 78 GLN HA H 1 4.223 0.030 . 1 . . . . 78 GLN HA . 10119 1 964 . 1 1 78 78 GLN HB2 H 1 2.057 0.030 . 2 . . . . 78 GLN HB2 . 10119 1 965 . 1 1 78 78 GLN HB3 H 1 2.155 0.030 . 2 . . . . 78 GLN HB3 . 10119 1 966 . 1 1 78 78 GLN HG2 H 1 2.364 0.030 . 2 . . . . 78 GLN HG2 . 10119 1 967 . 1 1 78 78 GLN HG3 H 1 2.421 0.030 . 2 . . . . 78 GLN HG3 . 10119 1 968 . 1 1 78 78 GLN HE21 H 1 6.872 0.030 . 2 . . . . 78 GLN HE21 . 10119 1 969 . 1 1 78 78 GLN HE22 H 1 7.638 0.030 . 2 . . . . 78 GLN HE22 . 10119 1 970 . 1 1 78 78 GLN C C 13 176.576 0.300 . 1 . . . . 78 GLN C . 10119 1 971 . 1 1 78 78 GLN CA C 13 57.006 0.300 . 1 . . . . 78 GLN CA . 10119 1 972 . 1 1 78 78 GLN CB C 13 29.009 0.300 . 1 . . . . 78 GLN CB . 10119 1 973 . 1 1 78 78 GLN CG C 13 33.845 0.300 . 1 . . . . 78 GLN CG . 10119 1 974 . 1 1 78 78 GLN N N 15 119.894 0.300 . 1 . . . . 78 GLN N . 10119 1 975 . 1 1 78 78 GLN NE2 N 15 113.317 0.300 . 1 . . . . 78 GLN NE2 . 10119 1 976 . 1 1 79 79 ASN H H 1 8.174 0.030 . 1 . . . . 79 ASN H . 10119 1 977 . 1 1 79 79 ASN HA H 1 4.656 0.030 . 1 . . . . 79 ASN HA . 10119 1 978 . 1 1 79 79 ASN HB2 H 1 2.686 0.030 . 2 . . . . 79 ASN HB2 . 10119 1 979 . 1 1 79 79 ASN HB3 H 1 2.778 0.030 . 2 . . . . 79 ASN HB3 . 10119 1 980 . 1 1 79 79 ASN HD21 H 1 6.801 0.030 . 2 . . . . 79 ASN HD21 . 10119 1 981 . 1 1 79 79 ASN HD22 H 1 7.529 0.030 . 2 . . . . 79 ASN HD22 . 10119 1 982 . 1 1 79 79 ASN C C 13 175.528 0.300 . 1 . . . . 79 ASN C . 10119 1 983 . 1 1 79 79 ASN CA C 13 53.833 0.300 . 1 . . . . 79 ASN CA . 10119 1 984 . 1 1 79 79 ASN CB C 13 39.082 0.300 . 1 . . . . 79 ASN CB . 10119 1 985 . 1 1 79 79 ASN N N 15 118.223 0.300 . 1 . . . . 79 ASN N . 10119 1 986 . 1 1 79 79 ASN ND2 N 15 113.632 0.300 . 1 . . . . 79 ASN ND2 . 10119 1 987 . 1 1 80 80 ALA H H 1 8.038 0.030 . 1 . . . . 80 ALA H . 10119 1 988 . 1 1 80 80 ALA HA H 1 4.241 0.030 . 1 . . . . 80 ALA HA . 10119 1 989 . 1 1 80 80 ALA HB1 H 1 1.442 0.030 . 1 . . . . 80 ALA HB . 10119 1 990 . 1 1 80 80 ALA HB2 H 1 1.442 0.030 . 1 . . . . 80 ALA HB . 10119 1 991 . 1 1 80 80 ALA HB3 H 1 1.442 0.030 . 1 . . . . 80 ALA HB . 10119 1 992 . 1 1 80 80 ALA C C 13 178.060 0.300 . 1 . . . . 80 ALA C . 10119 1 993 . 1 1 80 80 ALA CA C 13 53.497 0.300 . 1 . . . . 80 ALA CA . 10119 1 994 . 1 1 80 80 ALA CB C 13 19.134 0.300 . 1 . . . . 80 ALA CB . 10119 1 995 . 1 1 80 80 ALA N N 15 123.930 0.300 . 1 . . . . 80 ALA N . 10119 1 996 . 1 1 81 81 ASP H H 1 8.273 0.030 . 1 . . . . 81 ASP H . 10119 1 997 . 1 1 81 81 ASP HA H 1 4.560 0.030 . 1 . . . . 81 ASP HA . 10119 1 998 . 1 1 81 81 ASP HB2 H 1 2.710 0.030 . 1 . . . . 81 ASP HB2 . 10119 1 999 . 1 1 81 81 ASP HB3 H 1 2.710 0.030 . 1 . . . . 81 ASP HB3 . 10119 1 1000 . 1 1 81 81 ASP C C 13 177.070 0.300 . 1 . . . . 81 ASP C . 10119 1 1001 . 1 1 81 81 ASP CA C 13 54.842 0.300 . 1 . . . . 81 ASP CA . 10119 1 1002 . 1 1 81 81 ASP CB C 13 41.156 0.300 . 1 . . . . 81 ASP CB . 10119 1 1003 . 1 1 81 81 ASP N N 15 118.889 0.300 . 1 . . . . 81 ASP N . 10119 1 1004 . 1 1 82 82 ARG H H 1 8.144 0.030 . 1 . . . . 82 ARG H . 10119 1 1005 . 1 1 82 82 ARG HA H 1 4.223 0.030 . 1 . . . . 82 ARG HA . 10119 1 1006 . 1 1 82 82 ARG HB2 H 1 1.820 0.030 . 2 . . . . 82 ARG HB2 . 10119 1 1007 . 1 1 82 82 ARG HB3 H 1 1.901 0.030 . 2 . . . . 82 ARG HB3 . 10119 1 1008 . 1 1 82 82 ARG HG2 H 1 1.670 0.030 . 1 . . . . 82 ARG HG2 . 10119 1 1009 . 1 1 82 82 ARG HG3 H 1 1.670 0.030 . 1 . . . . 82 ARG HG3 . 10119 1 1010 . 1 1 82 82 ARG HD2 H 1 3.218 0.030 . 1 . . . . 82 ARG HD2 . 10119 1 1011 . 1 1 82 82 ARG HD3 H 1 3.218 0.030 . 1 . . . . 82 ARG HD3 . 10119 1 1012 . 1 1 82 82 ARG C C 13 176.925 0.300 . 1 . . . . 82 ARG C . 10119 1 1013 . 1 1 82 82 ARG CA C 13 57.056 0.300 . 1 . . . . 82 ARG CA . 10119 1 1014 . 1 1 82 82 ARG CB C 13 30.491 0.300 . 1 . . . . 82 ARG CB . 10119 1 1015 . 1 1 82 82 ARG CG C 13 27.031 0.300 . 1 . . . . 82 ARG CG . 10119 1 1016 . 1 1 82 82 ARG CD C 13 43.325 0.300 . 1 . . . . 82 ARG CD . 10119 1 1017 . 1 1 82 82 ARG N N 15 121.055 0.300 . 1 . . . . 82 ARG N . 10119 1 1018 . 1 1 83 83 ALA H H 1 8.211 0.030 . 1 . . . . 83 ALA H . 10119 1 1019 . 1 1 83 83 ALA HA H 1 4.296 0.030 . 1 . . . . 83 ALA HA . 10119 1 1020 . 1 1 83 83 ALA HB1 H 1 1.424 0.030 . 1 . . . . 83 ALA HB . 10119 1 1021 . 1 1 83 83 ALA HB2 H 1 1.424 0.030 . 1 . . . . 83 ALA HB . 10119 1 1022 . 1 1 83 83 ALA HB3 H 1 1.424 0.030 . 1 . . . . 83 ALA HB . 10119 1 1023 . 1 1 83 83 ALA C C 13 178.293 0.300 . 1 . . . . 83 ALA C . 10119 1 1024 . 1 1 83 83 ALA CA C 13 53.303 0.300 . 1 . . . . 83 ALA CA . 10119 1 1025 . 1 1 83 83 ALA CB C 13 19.134 0.300 . 1 . . . . 83 ALA CB . 10119 1 1026 . 1 1 83 83 ALA N N 15 123.130 0.300 . 1 . . . . 83 ALA N . 10119 1 1027 . 1 1 84 84 SER H H 1 8.079 0.030 . 1 . . . . 84 SER H . 10119 1 1028 . 1 1 84 84 SER HA H 1 4.412 0.030 . 1 . . . . 84 SER HA . 10119 1 1029 . 1 1 84 84 SER HB2 H 1 3.912 0.030 . 1 . . . . 84 SER HB2 . 10119 1 1030 . 1 1 84 84 SER HB3 H 1 3.912 0.030 . 1 . . . . 84 SER HB3 . 10119 1 1031 . 1 1 84 84 SER C C 13 174.568 0.300 . 1 . . . . 84 SER C . 10119 1 1032 . 1 1 84 84 SER CA C 13 58.694 0.300 . 1 . . . . 84 SER CA . 10119 1 1033 . 1 1 84 84 SER CB C 13 63.870 0.300 . 1 . . . . 84 SER CB . 10119 1 1034 . 1 1 84 84 SER N N 15 114.016 0.300 . 1 . . . . 84 SER N . 10119 1 1035 . 1 1 85 85 ARG H H 1 8.087 0.030 . 1 . . . . 85 ARG H . 10119 1 1036 . 1 1 85 85 ARG HA H 1 4.351 0.030 . 1 . . . . 85 ARG HA . 10119 1 1037 . 1 1 85 85 ARG HB2 H 1 1.808 0.030 . 1 . . . . 85 ARG HB2 . 10119 1 1038 . 1 1 85 85 ARG HB3 H 1 1.808 0.030 . 1 . . . . 85 ARG HB3 . 10119 1 1039 . 1 1 85 85 ARG HG2 H 1 1.638 0.030 . 1 . . . . 85 ARG HG2 . 10119 1 1040 . 1 1 85 85 ARG HG3 H 1 1.638 0.030 . 1 . . . . 85 ARG HG3 . 10119 1 1041 . 1 1 85 85 ARG HD2 H 1 3.188 0.030 . 1 . . . . 85 ARG HD2 . 10119 1 1042 . 1 1 85 85 ARG HD3 H 1 3.188 0.030 . 1 . . . . 85 ARG HD3 . 10119 1 1043 . 1 1 85 85 ARG C C 13 176.023 0.300 . 1 . . . . 85 ARG C . 10119 1 1044 . 1 1 85 85 ARG CA C 13 56.068 0.300 . 1 . . . . 85 ARG CA . 10119 1 1045 . 1 1 85 85 ARG CB C 13 30.787 0.300 . 1 . . . . 85 ARG CB . 10119 1 1046 . 1 1 85 85 ARG CG C 13 26.932 0.300 . 1 . . . . 85 ARG CG . 10119 1 1047 . 1 1 85 85 ARG CD C 13 43.325 0.300 . 1 . . . . 85 ARG CD . 10119 1 1048 . 1 1 85 85 ARG N N 15 122.390 0.300 . 1 . . . . 85 ARG N . 10119 1 1049 . 1 1 86 86 ARG H H 1 8.295 0.030 . 1 . . . . 86 ARG H . 10119 1 1050 . 1 1 86 86 ARG HA H 1 4.351 0.030 . 1 . . . . 86 ARG HA . 10119 1 1051 . 1 1 86 86 ARG HB2 H 1 1.772 0.030 . 1 . . . . 86 ARG HB2 . 10119 1 1052 . 1 1 86 86 ARG HB3 H 1 1.772 0.030 . 1 . . . . 86 ARG HB3 . 10119 1 1053 . 1 1 86 86 ARG HG2 H 1 1.565 0.030 . 1 . . . . 86 ARG HG2 . 10119 1 1054 . 1 1 86 86 ARG HG3 H 1 1.565 0.030 . 1 . . . . 86 ARG HG3 . 10119 1 1055 . 1 1 86 86 ARG HD2 H 1 3.150 0.030 . 1 . . . . 86 ARG HD2 . 10119 1 1056 . 1 1 86 86 ARG HD3 H 1 3.150 0.030 . 1 . . . . 86 ARG HD3 . 10119 1 1057 . 1 1 86 86 ARG C C 13 176.256 0.300 . 1 . . . . 86 ARG C . 10119 1 1058 . 1 1 86 86 ARG CA C 13 56.262 0.300 . 1 . . . . 86 ARG CA . 10119 1 1059 . 1 1 86 86 ARG CB C 13 31.080 0.300 . 1 . . . . 86 ARG CB . 10119 1 1060 . 1 1 86 86 ARG CG C 13 26.932 0.300 . 1 . . . . 86 ARG CG . 10119 1 1061 . 1 1 86 86 ARG CD C 13 43.325 0.300 . 1 . . . . 86 ARG CD . 10119 1 1062 . 1 1 86 86 ARG N N 15 122.403 0.300 . 1 . . . . 86 ARG N . 10119 1 1063 . 1 1 87 87 THR H H 1 8.114 0.030 . 1 . . . . 87 THR H . 10119 1 1064 . 1 1 87 87 THR HA H 1 4.322 0.030 . 1 . . . . 87 THR HA . 10119 1 1065 . 1 1 87 87 THR HB H 1 4.218 0.030 . 1 . . . . 87 THR HB . 10119 1 1066 . 1 1 87 87 THR HG21 H 1 1.154 0.030 . 1 . . . . 87 THR HG2 . 10119 1 1067 . 1 1 87 87 THR HG22 H 1 1.154 0.030 . 1 . . . . 87 THR HG2 . 10119 1 1068 . 1 1 87 87 THR HG23 H 1 1.154 0.030 . 1 . . . . 87 THR HG2 . 10119 1 1069 . 1 1 87 87 THR C C 13 173.229 0.300 . 1 . . . . 87 THR C . 10119 1 1070 . 1 1 87 87 THR CA C 13 61.570 0.300 . 1 . . . . 87 THR CA . 10119 1 1071 . 1 1 87 87 THR CB C 13 69.992 0.300 . 1 . . . . 87 THR CB . 10119 1 1072 . 1 1 87 87 THR CG2 C 13 21.500 0.300 . 1 . . . . 87 THR CG2 . 10119 1 1073 . 1 1 87 87 THR N N 15 115.257 0.300 . 1 . . . . 87 THR N . 10119 1 1074 . 1 1 88 88 PHE H H 1 7.785 0.030 . 1 . . . . 88 PHE H . 10119 1 1075 . 1 1 88 88 PHE HA H 1 4.448 0.030 . 1 . . . . 88 PHE HA . 10119 1 1076 . 1 1 88 88 PHE CA C 13 59.113 0.300 . 1 . . . . 88 PHE CA . 10119 1 1077 . 1 1 88 88 PHE CB C 13 40.366 0.300 . 1 . . . . 88 PHE CB . 10119 1 1078 . 1 1 88 88 PHE N N 15 126.738 0.300 . 1 . . . . 88 PHE N . 10119 1 stop_ save_