data_11266 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11266 _Entry.Title ; Solution Structure of the N-terminal Ubiquitin-like Domain in Human Np95/ICBP90-like Ring Finger Protein (NIRF) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 C. Zhao . . . 11266 2 K. Saito . . . 11266 3 S. Koshiba . . . 11266 4 M. Inoue . . . 11266 5 T. Kigawa . . . 11266 6 S. Yokoyama . . . 11266 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11266 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11266 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 11266 '15N chemical shifts' 86 11266 '1H chemical shifts' 581 11266 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 . . 2011-08-18 2010-08-09 original author . 11266 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WY8 'BMRB Entry Tracking System' 11266 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11266 _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 the N-terminal Ubiquitin-like Domain in Human Np95/ICBP90-like Ring Finger Protein (NIRF) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 C. Zhao . . . 11266 1 2 K. Saito . . . 11266 1 3 S. Koshiba . . . 11266 1 4 M. Inoue . . . 11266 1 5 T. Kigawa . . . 11266 1 6 S. Yokoyama . . . 11266 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11266 _Assembly.ID 1 _Assembly.Name 'Np95-like ring finger protein, isoform a' _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 'ubiquitin-like domain' 1 $entity_1 A . yes native no no . . . 11266 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 yes PDB 1wy8 . . . . . . 11266 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11266 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquitin-like domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMWIQVRTIDGSKT CTIEDVSRKATIEELRERVW ALFDVRPECQRLFYRGKQLE NGYTLFDYDVGLNDIIQLLV RPDSGPSSG ; _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 89 _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 1WY8 . "Solution Structure Of The N-Terminal Ubiquitin-Like Domain In Human Np95ICBP90-Like Ring Finger Protein (Nirf)" . . . . . 100.00 89 100.00 100.00 4.03e-57 . . . . 11266 1 2 no DBJ BAB68317 . "Np95-like ring finger protein [Homo sapiens]" . . . . . 85.39 802 100.00 100.00 1.02e-43 . . . . 11266 1 3 no DBJ BAC31223 . "unnamed protein product [Mus musculus]" . . . . . 86.52 195 97.40 98.70 1.23e-46 . . . . 11266 1 4 no DBJ BAC38081 . "unnamed protein product [Mus musculus]" . . . . . 86.52 516 97.40 98.70 7.03e-43 . . . . 11266 1 5 no DBJ BAC81739 . "Np95-like ring finger protein [Mus musculus]" . . . . . 86.52 803 97.40 98.70 5.16e-42 . . . . 11266 1 6 no DBJ BAE00280 . "unnamed protein product [Macaca fascicularis]" . . . . . 85.39 179 100.00 100.00 7.26e-48 . . . . 11266 1 7 no GB AAH28397 . "UHRF2 protein [Homo sapiens]" . . . . . 85.39 503 100.00 100.00 1.12e-44 . . . . 11266 1 8 no GB AAH60241 . "Ubiquitin-like, containing PHD and RING finger domains 2 [Mus musculus]" . . . . . 86.52 803 97.40 98.70 5.16e-42 . . . . 11266 1 9 no GB AAI48950 . "UHRF2 protein [Bos taurus]" . . . . . 85.39 583 97.37 98.68 3.79e-42 . . . . 11266 1 10 no GB AAM33798 . "nuclear zinc finger protein Np97 [Mus musculus]" . . . . . 86.52 803 97.40 98.70 5.06e-42 . . . . 11266 1 11 no GB AAM33799 . "nuclear zinc finger protein Np97 [Homo sapiens]" . . . . . 85.39 802 100.00 100.00 1.02e-43 . . . . 11266 1 12 no REF NP_001095740 . "E3 ubiquitin-protein ligase UHRF2 [Bos taurus]" . . . . . 85.39 583 97.37 98.68 3.79e-42 . . . . 11266 1 13 no REF NP_659122 . "E3 ubiquitin-protein ligase UHRF2 [Mus musculus]" . . . . . 86.52 803 97.40 98.70 5.16e-42 . . . . 11266 1 14 no REF NP_690856 . "E3 ubiquitin-protein ligase UHRF2 [Homo sapiens]" . . . . . 85.39 802 100.00 100.00 1.02e-43 . . . . 11266 1 15 no REF XP_001142916 . "PREDICTED: E3 ubiquitin-protein ligase UHRF2 isoform X1 [Pan troglodytes]" . . . . . 85.39 802 100.00 100.00 9.95e-44 . . . . 11266 1 16 no REF XP_002742966 . "PREDICTED: E3 ubiquitin-protein ligase UHRF2 isoform X1 [Callithrix jacchus]" . . . . . 85.39 802 100.00 100.00 9.18e-44 . . . . 11266 1 17 no SP Q7TMI3 . "RecName: Full=E3 ubiquitin-protein ligase UHRF2; AltName: Full=NIRF; AltName: Full=Np95-like ring finger protein; AltName: Full" . . . . . 86.52 803 97.40 98.70 5.16e-42 . . . . 11266 1 18 no SP Q96PU4 . "RecName: Full=E3 ubiquitin-protein ligase UHRF2; AltName: Full=Np95/ICBP90-like RING finger protein; Short=Np95-like RING finge" . . . . . 85.39 802 100.00 100.00 1.02e-43 . . . . 11266 1 19 no TPG DAA26932 . "TPA: ubiquitin-like with PHD and ring finger domains 2 [Bos taurus]" . . . . . 85.39 465 97.37 98.68 1.72e-42 . . . . 11266 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin-like domain' . 11266 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11266 1 2 . SER . 11266 1 3 . SER . 11266 1 4 . GLY . 11266 1 5 . SER . 11266 1 6 . SER . 11266 1 7 . GLY . 11266 1 8 . MET . 11266 1 9 . TRP . 11266 1 10 . ILE . 11266 1 11 . GLN . 11266 1 12 . VAL . 11266 1 13 . ARG . 11266 1 14 . THR . 11266 1 15 . ILE . 11266 1 16 . ASP . 11266 1 17 . GLY . 11266 1 18 . SER . 11266 1 19 . LYS . 11266 1 20 . THR . 11266 1 21 . CYS . 11266 1 22 . THR . 11266 1 23 . ILE . 11266 1 24 . GLU . 11266 1 25 . ASP . 11266 1 26 . VAL . 11266 1 27 . SER . 11266 1 28 . ARG . 11266 1 29 . LYS . 11266 1 30 . ALA . 11266 1 31 . THR . 11266 1 32 . ILE . 11266 1 33 . GLU . 11266 1 34 . GLU . 11266 1 35 . LEU . 11266 1 36 . ARG . 11266 1 37 . GLU . 11266 1 38 . ARG . 11266 1 39 . VAL . 11266 1 40 . TRP . 11266 1 41 . ALA . 11266 1 42 . LEU . 11266 1 43 . PHE . 11266 1 44 . ASP . 11266 1 45 . VAL . 11266 1 46 . ARG . 11266 1 47 . PRO . 11266 1 48 . GLU . 11266 1 49 . CYS . 11266 1 50 . GLN . 11266 1 51 . ARG . 11266 1 52 . LEU . 11266 1 53 . PHE . 11266 1 54 . TYR . 11266 1 55 . ARG . 11266 1 56 . GLY . 11266 1 57 . LYS . 11266 1 58 . GLN . 11266 1 59 . LEU . 11266 1 60 . GLU . 11266 1 61 . ASN . 11266 1 62 . GLY . 11266 1 63 . TYR . 11266 1 64 . THR . 11266 1 65 . LEU . 11266 1 66 . PHE . 11266 1 67 . ASP . 11266 1 68 . TYR . 11266 1 69 . ASP . 11266 1 70 . VAL . 11266 1 71 . GLY . 11266 1 72 . LEU . 11266 1 73 . ASN . 11266 1 74 . ASP . 11266 1 75 . ILE . 11266 1 76 . ILE . 11266 1 77 . GLN . 11266 1 78 . LEU . 11266 1 79 . LEU . 11266 1 80 . VAL . 11266 1 81 . ARG . 11266 1 82 . PRO . 11266 1 83 . ASP . 11266 1 84 . SER . 11266 1 85 . GLY . 11266 1 86 . PRO . 11266 1 87 . SER . 11266 1 88 . SER . 11266 1 89 . GLY . 11266 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11266 1 . SER 2 2 11266 1 . SER 3 3 11266 1 . GLY 4 4 11266 1 . SER 5 5 11266 1 . SER 6 6 11266 1 . GLY 7 7 11266 1 . MET 8 8 11266 1 . TRP 9 9 11266 1 . ILE 10 10 11266 1 . GLN 11 11 11266 1 . VAL 12 12 11266 1 . ARG 13 13 11266 1 . THR 14 14 11266 1 . ILE 15 15 11266 1 . ASP 16 16 11266 1 . GLY 17 17 11266 1 . SER 18 18 11266 1 . LYS 19 19 11266 1 . THR 20 20 11266 1 . CYS 21 21 11266 1 . THR 22 22 11266 1 . ILE 23 23 11266 1 . GLU 24 24 11266 1 . ASP 25 25 11266 1 . VAL 26 26 11266 1 . SER 27 27 11266 1 . ARG 28 28 11266 1 . LYS 29 29 11266 1 . ALA 30 30 11266 1 . THR 31 31 11266 1 . ILE 32 32 11266 1 . GLU 33 33 11266 1 . GLU 34 34 11266 1 . LEU 35 35 11266 1 . ARG 36 36 11266 1 . GLU 37 37 11266 1 . ARG 38 38 11266 1 . VAL 39 39 11266 1 . TRP 40 40 11266 1 . ALA 41 41 11266 1 . LEU 42 42 11266 1 . PHE 43 43 11266 1 . ASP 44 44 11266 1 . VAL 45 45 11266 1 . ARG 46 46 11266 1 . PRO 47 47 11266 1 . GLU 48 48 11266 1 . CYS 49 49 11266 1 . GLN 50 50 11266 1 . ARG 51 51 11266 1 . LEU 52 52 11266 1 . PHE 53 53 11266 1 . TYR 54 54 11266 1 . ARG 55 55 11266 1 . GLY 56 56 11266 1 . LYS 57 57 11266 1 . GLN 58 58 11266 1 . LEU 59 59 11266 1 . GLU 60 60 11266 1 . ASN 61 61 11266 1 . GLY 62 62 11266 1 . TYR 63 63 11266 1 . THR 64 64 11266 1 . LEU 65 65 11266 1 . PHE 66 66 11266 1 . ASP 67 67 11266 1 . TYR 68 68 11266 1 . ASP 69 69 11266 1 . VAL 70 70 11266 1 . GLY 71 71 11266 1 . LEU 72 72 11266 1 . ASN 73 73 11266 1 . ASP 74 74 11266 1 . ILE 75 75 11266 1 . ILE 76 76 11266 1 . GLN 77 77 11266 1 . LEU 78 78 11266 1 . LEU 79 79 11266 1 . VAL 80 80 11266 1 . ARG 81 81 11266 1 . PRO 82 82 11266 1 . ASP 83 83 11266 1 . SER 84 84 11266 1 . GLY 85 85 11266 1 . PRO 86 86 11266 1 . SER 87 87 11266 1 . SER 88 88 11266 1 . GLY 89 89 11266 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 11266 _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 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11266 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 11266 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P041101-10 . . . . . . 11266 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11266 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.91mM protein U-15N, 13C/20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; _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 'ubiquitin-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.91 . . mM . . . . 11266 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11266 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11266 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11266 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11266 1 6 H2O . . . . . . solvent 90 . . % . . . . 11266 1 7 D2O . . . . . . solvent 10 . . % . . . . 11266 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 11266 _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 11266 1 pH 7.0 0.05 pH 11266 1 pressure 1 0.001 atm 11266 1 temperature 298.0 0.1 K 11266 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11266 _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 . . 11266 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11266 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11266 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11266 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11266 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11266 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11266 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11266 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11266 _Software.ID 4 _Software.Name Kujira _Software.Version 0.921 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11266 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11266 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11266 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11266 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11266 5 'structure solution' 11266 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 11266 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 11266 _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 . 800 . . . 11266 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 11266 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11266 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11266 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 11266 _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 . . . . . . . . . 11266 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11266 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11266 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 11266 _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 15N-separated NOESY' 1 $sample_1 isotropic 11266 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11266 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11266 1 2 $NMRPipe . . 11266 1 3 $NMRview . . 11266 1 4 $Kujira . . 11266 1 5 $CYANA . . 11266 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 GLY HA2 H 1 4.186 0.030 . 2 . . . . 7 GLY HA2 . 11266 1 2 . 1 1 7 7 GLY HA3 H 1 3.939 0.030 . 2 . . . . 7 GLY HA3 . 11266 1 3 . 1 1 7 7 GLY C C 13 173.155 0.300 . 1 . . . . 7 GLY C . 11266 1 4 . 1 1 7 7 GLY CA C 13 45.216 0.300 . 1 . . . . 7 GLY CA . 11266 1 5 . 1 1 8 8 MET H H 1 8.671 0.030 . 1 . . . . 8 MET H . 11266 1 6 . 1 1 8 8 MET HA H 1 4.522 0.030 . 1 . . . . 8 MET HA . 11266 1 7 . 1 1 8 8 MET HB2 H 1 1.840 0.030 . 2 . . . . 8 MET HB2 . 11266 1 8 . 1 1 8 8 MET HB3 H 1 2.034 0.030 . 2 . . . . 8 MET HB3 . 11266 1 9 . 1 1 8 8 MET HE1 H 1 1.751 0.030 . 1 . . . . 8 MET HE . 11266 1 10 . 1 1 8 8 MET HE2 H 1 1.751 0.030 . 1 . . . . 8 MET HE . 11266 1 11 . 1 1 8 8 MET HE3 H 1 1.751 0.030 . 1 . . . . 8 MET HE . 11266 1 12 . 1 1 8 8 MET HG2 H 1 2.190 0.030 . 2 . . . . 8 MET HG2 . 11266 1 13 . 1 1 8 8 MET HG3 H 1 2.386 0.030 . 2 . . . . 8 MET HG3 . 11266 1 14 . 1 1 8 8 MET C C 13 172.889 0.300 . 1 . . . . 8 MET C . 11266 1 15 . 1 1 8 8 MET CA C 13 55.057 0.300 . 1 . . . . 8 MET CA . 11266 1 16 . 1 1 8 8 MET CB C 13 34.644 0.300 . 1 . . . . 8 MET CB . 11266 1 17 . 1 1 8 8 MET CE C 13 17.709 0.300 . 1 . . . . 8 MET CE . 11266 1 18 . 1 1 8 8 MET CG C 13 32.145 0.300 . 1 . . . . 8 MET CG . 11266 1 19 . 1 1 8 8 MET N N 15 119.818 0.300 . 1 . . . . 8 MET N . 11266 1 20 . 1 1 9 9 TRP H H 1 6.712 0.030 . 1 . . . . 9 TRP H . 11266 1 21 . 1 1 9 9 TRP HA H 1 5.659 0.030 . 1 . . . . 9 TRP HA . 11266 1 22 . 1 1 9 9 TRP HB2 H 1 3.468 0.030 . 2 . . . . 9 TRP HB2 . 11266 1 23 . 1 1 9 9 TRP HB3 H 1 3.111 0.030 . 2 . . . . 9 TRP HB3 . 11266 1 24 . 1 1 9 9 TRP HD1 H 1 7.038 0.030 . 1 . . . . 9 TRP HD1 . 11266 1 25 . 1 1 9 9 TRP HE1 H 1 10.084 0.030 . 1 . . . . 9 TRP HE1 . 11266 1 26 . 1 1 9 9 TRP HE3 H 1 7.552 0.030 . 1 . . . . 9 TRP HE3 . 11266 1 27 . 1 1 9 9 TRP HH2 H 1 7.222 0.030 . 1 . . . . 9 TRP HH2 . 11266 1 28 . 1 1 9 9 TRP HZ2 H 1 7.459 0.030 . 1 . . . . 9 TRP HZ2 . 11266 1 29 . 1 1 9 9 TRP HZ3 H 1 7.085 0.030 . 1 . . . . 9 TRP HZ3 . 11266 1 30 . 1 1 9 9 TRP C C 13 174.633 0.300 . 1 . . . . 9 TRP C . 11266 1 31 . 1 1 9 9 TRP CA C 13 55.936 0.300 . 1 . . . . 9 TRP CA . 11266 1 32 . 1 1 9 9 TRP CB C 13 31.806 0.300 . 1 . . . . 9 TRP CB . 11266 1 33 . 1 1 9 9 TRP CD1 C 13 126.671 0.300 . 1 . . . . 9 TRP CD1 . 11266 1 34 . 1 1 9 9 TRP CE3 C 13 121.305 0.300 . 1 . . . . 9 TRP CE3 . 11266 1 35 . 1 1 9 9 TRP CH2 C 13 124.884 0.300 . 1 . . . . 9 TRP CH2 . 11266 1 36 . 1 1 9 9 TRP CZ2 C 13 114.736 0.300 . 1 . . . . 9 TRP CZ2 . 11266 1 37 . 1 1 9 9 TRP CZ3 C 13 122.316 0.300 . 1 . . . . 9 TRP CZ3 . 11266 1 38 . 1 1 9 9 TRP N N 15 118.461 0.300 . 1 . . . . 9 TRP N . 11266 1 39 . 1 1 9 9 TRP NE1 N 15 129.671 0.300 . 1 . . . . 9 TRP NE1 . 11266 1 40 . 1 1 10 10 ILE H H 1 8.382 0.030 . 1 . . . . 10 ILE H . 11266 1 41 . 1 1 10 10 ILE HA H 1 4.717 0.030 . 1 . . . . 10 ILE HA . 11266 1 42 . 1 1 10 10 ILE HB H 1 2.016 0.030 . 1 . . . . 10 ILE HB . 11266 1 43 . 1 1 10 10 ILE HD11 H 1 0.698 0.030 . 1 . . . . 10 ILE HD1 . 11266 1 44 . 1 1 10 10 ILE HD12 H 1 0.698 0.030 . 1 . . . . 10 ILE HD1 . 11266 1 45 . 1 1 10 10 ILE HD13 H 1 0.698 0.030 . 1 . . . . 10 ILE HD1 . 11266 1 46 . 1 1 10 10 ILE HG12 H 1 1.241 0.030 . 2 . . . . 10 ILE HG12 . 11266 1 47 . 1 1 10 10 ILE HG13 H 1 0.984 0.030 . 2 . . . . 10 ILE HG13 . 11266 1 48 . 1 1 10 10 ILE HG21 H 1 0.803 0.030 . 1 . . . . 10 ILE HG2 . 11266 1 49 . 1 1 10 10 ILE HG22 H 1 0.803 0.030 . 1 . . . . 10 ILE HG2 . 11266 1 50 . 1 1 10 10 ILE HG23 H 1 0.803 0.030 . 1 . . . . 10 ILE HG2 . 11266 1 51 . 1 1 10 10 ILE C C 13 173.906 0.300 . 1 . . . . 10 ILE C . 11266 1 52 . 1 1 10 10 ILE CA C 13 59.736 0.300 . 1 . . . . 10 ILE CA . 11266 1 53 . 1 1 10 10 ILE CB C 13 42.537 0.300 . 1 . . . . 10 ILE CB . 11266 1 54 . 1 1 10 10 ILE CD1 C 13 14.531 0.300 . 1 . . . . 10 ILE CD1 . 11266 1 55 . 1 1 10 10 ILE CG1 C 13 25.900 0.300 . 1 . . . . 10 ILE CG1 . 11266 1 56 . 1 1 10 10 ILE CG2 C 13 18.925 0.300 . 1 . . . . 10 ILE CG2 . 11266 1 57 . 1 1 10 10 ILE N N 15 113.716 0.300 . 1 . . . . 10 ILE N . 11266 1 58 . 1 1 11 11 GLN H H 1 9.070 0.030 . 1 . . . . 11 GLN H . 11266 1 59 . 1 1 11 11 GLN HA H 1 5.413 0.030 . 1 . . . . 11 GLN HA . 11266 1 60 . 1 1 11 11 GLN HB2 H 1 1.945 0.030 . 1 . . . . 11 GLN HB2 . 11266 1 61 . 1 1 11 11 GLN HB3 H 1 1.945 0.030 . 1 . . . . 11 GLN HB3 . 11266 1 62 . 1 1 11 11 GLN HE21 H 1 6.874 0.030 . 2 . . . . 11 GLN HE21 . 11266 1 63 . 1 1 11 11 GLN HE22 H 1 7.192 0.030 . 2 . . . . 11 GLN HE22 . 11266 1 64 . 1 1 11 11 GLN HG2 H 1 2.275 0.030 . 2 . . . . 11 GLN HG2 . 11266 1 65 . 1 1 11 11 GLN HG3 H 1 2.203 0.030 . 2 . . . . 11 GLN HG3 . 11266 1 66 . 1 1 11 11 GLN C C 13 174.560 0.300 . 1 . . . . 11 GLN C . 11266 1 67 . 1 1 11 11 GLN CA C 13 54.670 0.300 . 1 . . . . 11 GLN CA . 11266 1 68 . 1 1 11 11 GLN CB C 13 33.246 0.300 . 1 . . . . 11 GLN CB . 11266 1 69 . 1 1 11 11 GLN CG C 13 34.952 0.300 . 1 . . . . 11 GLN CG . 11266 1 70 . 1 1 11 11 GLN N N 15 119.674 0.300 . 1 . . . . 11 GLN N . 11266 1 71 . 1 1 11 11 GLN NE2 N 15 111.313 0.300 . 1 . . . . 11 GLN NE2 . 11266 1 72 . 1 1 12 12 VAL H H 1 8.951 0.030 . 1 . . . . 12 VAL H . 11266 1 73 . 1 1 12 12 VAL HA H 1 5.358 0.030 . 1 . . . . 12 VAL HA . 11266 1 74 . 1 1 12 12 VAL HB H 1 1.955 0.030 . 1 . . . . 12 VAL HB . 11266 1 75 . 1 1 12 12 VAL HG11 H 1 0.527 0.030 . 1 . . . . 12 VAL HG1 . 11266 1 76 . 1 1 12 12 VAL HG12 H 1 0.527 0.030 . 1 . . . . 12 VAL HG1 . 11266 1 77 . 1 1 12 12 VAL HG13 H 1 0.527 0.030 . 1 . . . . 12 VAL HG1 . 11266 1 78 . 1 1 12 12 VAL HG21 H 1 0.817 0.030 . 1 . . . . 12 VAL HG2 . 11266 1 79 . 1 1 12 12 VAL HG22 H 1 0.817 0.030 . 1 . . . . 12 VAL HG2 . 11266 1 80 . 1 1 12 12 VAL HG23 H 1 0.817 0.030 . 1 . . . . 12 VAL HG2 . 11266 1 81 . 1 1 12 12 VAL C C 13 174.003 0.300 . 1 . . . . 12 VAL C . 11266 1 82 . 1 1 12 12 VAL CA C 13 60.475 0.300 . 1 . . . . 12 VAL CA . 11266 1 83 . 1 1 12 12 VAL CB C 13 34.068 0.300 . 1 . . . . 12 VAL CB . 11266 1 84 . 1 1 12 12 VAL CG1 C 13 22.311 0.300 . 2 . . . . 12 VAL CG1 . 11266 1 85 . 1 1 12 12 VAL CG2 C 13 21.449 0.300 . 2 . . . . 12 VAL CG2 . 11266 1 86 . 1 1 12 12 VAL N N 15 121.289 0.300 . 1 . . . . 12 VAL N . 11266 1 87 . 1 1 13 13 ARG H H 1 8.818 0.030 . 1 . . . . 13 ARG H . 11266 1 88 . 1 1 13 13 ARG HA H 1 5.850 0.030 . 1 . . . . 13 ARG HA . 11266 1 89 . 1 1 13 13 ARG HB2 H 1 1.720 0.030 . 2 . . . . 13 ARG HB2 . 11266 1 90 . 1 1 13 13 ARG HB3 H 1 1.752 0.030 . 2 . . . . 13 ARG HB3 . 11266 1 91 . 1 1 13 13 ARG HD2 H 1 3.155 0.030 . 2 . . . . 13 ARG HD2 . 11266 1 92 . 1 1 13 13 ARG HD3 H 1 3.243 0.030 . 2 . . . . 13 ARG HD3 . 11266 1 93 . 1 1 13 13 ARG HE H 1 8.850 0.030 . 1 . . . . 13 ARG HE . 11266 1 94 . 1 1 13 13 ARG HG2 H 1 2.024 0.030 . 2 . . . . 13 ARG HG2 . 11266 1 95 . 1 1 13 13 ARG HG3 H 1 1.756 0.030 . 2 . . . . 13 ARG HG3 . 11266 1 96 . 1 1 13 13 ARG C C 13 176.814 0.300 . 1 . . . . 13 ARG C . 11266 1 97 . 1 1 13 13 ARG CA C 13 53.262 0.300 . 1 . . . . 13 ARG CA . 11266 1 98 . 1 1 13 13 ARG CB C 13 35.877 0.300 . 1 . . . . 13 ARG CB . 11266 1 99 . 1 1 13 13 ARG CD C 13 44.478 0.300 . 1 . . . . 13 ARG CD . 11266 1 100 . 1 1 13 13 ARG CG C 13 25.848 0.300 . 1 . . . . 13 ARG CG . 11266 1 101 . 1 1 13 13 ARG N N 15 127.102 0.300 . 1 . . . . 13 ARG N . 11266 1 102 . 1 1 13 13 ARG NE N 15 84.000 0.300 . 1 . . . . 13 ARG NE . 11266 1 103 . 1 1 14 14 THR H H 1 8.896 0.030 . 1 . . . . 14 THR H . 11266 1 104 . 1 1 14 14 THR HA H 1 4.916 0.030 . 1 . . . . 14 THR HA . 11266 1 105 . 1 1 14 14 THR HB H 1 4.743 0.030 . 1 . . . . 14 THR HB . 11266 1 106 . 1 1 14 14 THR HG21 H 1 1.460 0.030 . 1 . . . . 14 THR HG2 . 11266 1 107 . 1 1 14 14 THR HG22 H 1 1.460 0.030 . 1 . . . . 14 THR HG2 . 11266 1 108 . 1 1 14 14 THR HG23 H 1 1.460 0.030 . 1 . . . . 14 THR HG2 . 11266 1 109 . 1 1 14 14 THR C C 13 178.621 0.300 . 1 . . . . 14 THR C . 11266 1 110 . 1 1 14 14 THR CA C 13 62.316 0.300 . 1 . . . . 14 THR CA . 11266 1 111 . 1 1 14 14 THR CB C 13 69.731 0.300 . 1 . . . . 14 THR CB . 11266 1 112 . 1 1 14 14 THR CG2 C 13 24.204 0.300 . 1 . . . . 14 THR CG2 . 11266 1 113 . 1 1 14 14 THR N N 15 115.625 0.300 . 1 . . . . 14 THR N . 11266 1 114 . 1 1 15 15 ILE H H 1 8.298 0.030 . 1 . . . . 15 ILE H . 11266 1 115 . 1 1 15 15 ILE HA H 1 3.961 0.030 . 1 . . . . 15 ILE HA . 11266 1 116 . 1 1 15 15 ILE HB H 1 1.807 0.030 . 1 . . . . 15 ILE HB . 11266 1 117 . 1 1 15 15 ILE HD11 H 1 0.722 0.030 . 1 . . . . 15 ILE HD1 . 11266 1 118 . 1 1 15 15 ILE HD12 H 1 0.722 0.030 . 1 . . . . 15 ILE HD1 . 11266 1 119 . 1 1 15 15 ILE HD13 H 1 0.722 0.030 . 1 . . . . 15 ILE HD1 . 11266 1 120 . 1 1 15 15 ILE HG12 H 1 1.481 0.030 . 2 . . . . 15 ILE HG12 . 11266 1 121 . 1 1 15 15 ILE HG13 H 1 1.281 0.030 . 2 . . . . 15 ILE HG13 . 11266 1 122 . 1 1 15 15 ILE HG21 H 1 0.981 0.030 . 1 . . . . 15 ILE HG2 . 11266 1 123 . 1 1 15 15 ILE HG22 H 1 0.981 0.030 . 1 . . . . 15 ILE HG2 . 11266 1 124 . 1 1 15 15 ILE HG23 H 1 0.981 0.030 . 1 . . . . 15 ILE HG2 . 11266 1 125 . 1 1 15 15 ILE C C 13 175.966 0.300 . 1 . . . . 15 ILE C . 11266 1 126 . 1 1 15 15 ILE CA C 13 63.532 0.300 . 1 . . . . 15 ILE CA . 11266 1 127 . 1 1 15 15 ILE CB C 13 38.490 0.300 . 1 . . . . 15 ILE CB . 11266 1 128 . 1 1 15 15 ILE CD1 C 13 13.563 0.300 . 1 . . . . 15 ILE CD1 . 11266 1 129 . 1 1 15 15 ILE CG1 C 13 28.647 0.300 . 1 . . . . 15 ILE CG1 . 11266 1 130 . 1 1 15 15 ILE CG2 C 13 17.509 0.300 . 1 . . . . 15 ILE CG2 . 11266 1 131 . 1 1 15 15 ILE N N 15 123.166 0.300 . 1 . . . . 15 ILE N . 11266 1 132 . 1 1 16 16 ASP H H 1 8.077 0.030 . 1 . . . . 16 ASP H . 11266 1 133 . 1 1 16 16 ASP HA H 1 4.569 0.030 . 1 . . . . 16 ASP HA . 11266 1 134 . 1 1 16 16 ASP HB2 H 1 3.117 0.030 . 2 . . . . 16 ASP HB2 . 11266 1 135 . 1 1 16 16 ASP HB3 H 1 2.717 0.030 . 2 . . . . 16 ASP HB3 . 11266 1 136 . 1 1 16 16 ASP C C 13 177.371 0.300 . 1 . . . . 16 ASP C . 11266 1 137 . 1 1 16 16 ASP CA C 13 53.535 0.300 . 1 . . . . 16 ASP CA . 11266 1 138 . 1 1 16 16 ASP CB C 13 40.367 0.300 . 1 . . . . 16 ASP CB . 11266 1 139 . 1 1 16 16 ASP N N 15 117.225 0.300 . 1 . . . . 16 ASP N . 11266 1 140 . 1 1 17 17 GLY H H 1 8.282 0.030 . 1 . . . . 17 GLY H . 11266 1 141 . 1 1 17 17 GLY HA2 H 1 4.185 0.030 . 2 . . . . 17 GLY HA2 . 11266 1 142 . 1 1 17 17 GLY HA3 H 1 3.534 0.030 . 2 . . . . 17 GLY HA3 . 11266 1 143 . 1 1 17 17 GLY C C 13 175.053 0.300 . 1 . . . . 17 GLY C . 11266 1 144 . 1 1 17 17 GLY CA C 13 45.536 0.300 . 1 . . . . 17 GLY CA . 11266 1 145 . 1 1 17 17 GLY N N 15 109.049 0.300 . 1 . . . . 17 GLY N . 11266 1 146 . 1 1 18 18 SER H H 1 8.194 0.030 . 1 . . . . 18 SER H . 11266 1 147 . 1 1 18 18 SER HA H 1 4.124 0.030 . 1 . . . . 18 SER HA . 11266 1 148 . 1 1 18 18 SER HB2 H 1 3.939 0.030 . 1 . . . . 18 SER HB2 . 11266 1 149 . 1 1 18 18 SER HB3 H 1 3.939 0.030 . 1 . . . . 18 SER HB3 . 11266 1 150 . 1 1 18 18 SER C C 13 174.512 0.300 . 1 . . . . 18 SER C . 11266 1 151 . 1 1 18 18 SER CA C 13 60.940 0.300 . 1 . . . . 18 SER CA . 11266 1 152 . 1 1 18 18 SER CB C 13 63.718 0.300 . 1 . . . . 18 SER CB . 11266 1 153 . 1 1 18 18 SER N N 15 116.216 0.300 . 1 . . . . 18 SER N . 11266 1 154 . 1 1 19 19 LYS H H 1 7.664 0.030 . 1 . . . . 19 LYS H . 11266 1 155 . 1 1 19 19 LYS HA H 1 4.746 0.030 . 1 . . . . 19 LYS HA . 11266 1 156 . 1 1 19 19 LYS HB2 H 1 1.883 0.030 . 2 . . . . 19 LYS HB2 . 11266 1 157 . 1 1 19 19 LYS HB3 H 1 1.843 0.030 . 2 . . . . 19 LYS HB3 . 11266 1 158 . 1 1 19 19 LYS HD2 H 1 1.612 0.030 . 1 . . . . 19 LYS HD2 . 11266 1 159 . 1 1 19 19 LYS HD3 H 1 1.612 0.030 . 1 . . . . 19 LYS HD3 . 11266 1 160 . 1 1 19 19 LYS HE2 H 1 2.652 0.030 . 2 . . . . 19 LYS HE2 . 11266 1 161 . 1 1 19 19 LYS HE3 H 1 2.692 0.030 . 2 . . . . 19 LYS HE3 . 11266 1 162 . 1 1 19 19 LYS HG2 H 1 1.247 0.030 . 2 . . . . 19 LYS HG2 . 11266 1 163 . 1 1 19 19 LYS HG3 H 1 1.440 0.030 . 2 . . . . 19 LYS HG3 . 11266 1 164 . 1 1 19 19 LYS C C 13 174.367 0.300 . 1 . . . . 19 LYS C . 11266 1 165 . 1 1 19 19 LYS CA C 13 56.992 0.300 . 1 . . . . 19 LYS CA . 11266 1 166 . 1 1 19 19 LYS CB C 13 36.124 0.300 . 1 . . . . 19 LYS CB . 11266 1 167 . 1 1 19 19 LYS CD C 13 29.596 0.300 . 1 . . . . 19 LYS CD . 11266 1 168 . 1 1 19 19 LYS CE C 13 42.094 0.300 . 1 . . . . 19 LYS CE . 11266 1 169 . 1 1 19 19 LYS CG C 13 25.320 0.300 . 1 . . . . 19 LYS CG . 11266 1 170 . 1 1 19 19 LYS N N 15 122.575 0.300 . 1 . . . . 19 LYS N . 11266 1 171 . 1 1 20 20 THR H H 1 8.492 0.030 . 1 . . . . 20 THR H . 11266 1 172 . 1 1 20 20 THR HA H 1 5.552 0.030 . 1 . . . . 20 THR HA . 11266 1 173 . 1 1 20 20 THR HB H 1 3.991 0.030 . 1 . . . . 20 THR HB . 11266 1 174 . 1 1 20 20 THR HG21 H 1 1.229 0.030 . 1 . . . . 20 THR HG2 . 11266 1 175 . 1 1 20 20 THR HG22 H 1 1.229 0.030 . 1 . . . . 20 THR HG2 . 11266 1 176 . 1 1 20 20 THR HG23 H 1 1.229 0.030 . 1 . . . . 20 THR HG2 . 11266 1 177 . 1 1 20 20 THR C C 13 174.246 0.300 . 1 . . . . 20 THR C . 11266 1 178 . 1 1 20 20 THR CA C 13 61.471 0.300 . 1 . . . . 20 THR CA . 11266 1 179 . 1 1 20 20 THR CB C 13 71.233 0.300 . 1 . . . . 20 THR CB . 11266 1 180 . 1 1 20 20 THR CG2 C 13 21.127 0.300 . 1 . . . . 20 THR CG2 . 11266 1 181 . 1 1 20 20 THR N N 15 121.235 0.300 . 1 . . . . 20 THR N . 11266 1 182 . 1 1 21 21 CYS H H 1 9.353 0.030 . 1 . . . . 21 CYS H . 11266 1 183 . 1 1 21 21 CYS HA H 1 4.892 0.030 . 1 . . . . 21 CYS HA . 11266 1 184 . 1 1 21 21 CYS HB2 H 1 2.461 0.030 . 2 . . . . 21 CYS HB2 . 11266 1 185 . 1 1 21 21 CYS HB3 H 1 3.004 0.030 . 2 . . . . 21 CYS HB3 . 11266 1 186 . 1 1 21 21 CYS C C 13 173.398 0.300 . 1 . . . . 21 CYS C . 11266 1 187 . 1 1 21 21 CYS CA C 13 57.625 0.300 . 1 . . . . 21 CYS CA . 11266 1 188 . 1 1 21 21 CYS CB C 13 32.374 0.300 . 1 . . . . 21 CYS CB . 11266 1 189 . 1 1 21 21 CYS N N 15 122.518 0.300 . 1 . . . . 21 CYS N . 11266 1 190 . 1 1 22 22 THR H H 1 8.842 0.030 . 1 . . . . 22 THR H . 11266 1 191 . 1 1 22 22 THR HA H 1 4.833 0.030 . 1 . . . . 22 THR HA . 11266 1 192 . 1 1 22 22 THR HB H 1 3.972 0.030 . 1 . . . . 22 THR HB . 11266 1 193 . 1 1 22 22 THR HG21 H 1 1.112 0.030 . 1 . . . . 22 THR HG2 . 11266 1 194 . 1 1 22 22 THR HG22 H 1 1.112 0.030 . 1 . . . . 22 THR HG2 . 11266 1 195 . 1 1 22 22 THR HG23 H 1 1.112 0.030 . 1 . . . . 22 THR HG2 . 11266 1 196 . 1 1 22 22 THR C C 13 173.519 0.300 . 1 . . . . 22 THR C . 11266 1 197 . 1 1 22 22 THR CA C 13 69.588 0.300 . 1 . . . . 22 THR CA . 11266 1 198 . 1 1 22 22 THR CB C 13 69.588 0.300 . 1 . . . . 22 THR CB . 11266 1 199 . 1 1 22 22 THR CG2 C 13 22.360 0.300 . 1 . . . . 22 THR CG2 . 11266 1 200 . 1 1 22 22 THR N N 15 120.373 0.300 . 1 . . . . 22 THR N . 11266 1 201 . 1 1 23 23 ILE H H 1 9.264 0.030 . 1 . . . . 23 ILE H . 11266 1 202 . 1 1 23 23 ILE HA H 1 4.126 0.030 . 1 . . . . 23 ILE HA . 11266 1 203 . 1 1 23 23 ILE HB H 1 1.843 0.030 . 1 . . . . 23 ILE HB . 11266 1 204 . 1 1 23 23 ILE HD11 H 1 0.714 0.030 . 1 . . . . 23 ILE HD1 . 11266 1 205 . 1 1 23 23 ILE HD12 H 1 0.714 0.030 . 1 . . . . 23 ILE HD1 . 11266 1 206 . 1 1 23 23 ILE HD13 H 1 0.714 0.030 . 1 . . . . 23 ILE HD1 . 11266 1 207 . 1 1 23 23 ILE HG12 H 1 1.425 0.030 . 2 . . . . 23 ILE HG12 . 11266 1 208 . 1 1 23 23 ILE HG13 H 1 1.108 0.030 . 2 . . . . 23 ILE HG13 . 11266 1 209 . 1 1 23 23 ILE HG21 H 1 0.816 0.030 . 1 . . . . 23 ILE HG2 . 11266 1 210 . 1 1 23 23 ILE HG22 H 1 0.816 0.030 . 1 . . . . 23 ILE HG2 . 11266 1 211 . 1 1 23 23 ILE HG23 H 1 0.816 0.030 . 1 . . . . 23 ILE HG2 . 11266 1 212 . 1 1 23 23 ILE C C 13 174.332 0.300 . 1 . . . . 23 ILE C . 11266 1 213 . 1 1 23 23 ILE CA C 13 60.616 0.300 . 1 . . . . 23 ILE CA . 11266 1 214 . 1 1 23 23 ILE CB C 13 37.311 0.300 . 1 . . . . 23 ILE CB . 11266 1 215 . 1 1 23 23 ILE CD1 C 13 13.652 0.300 . 1 . . . . 23 ILE CD1 . 11266 1 216 . 1 1 23 23 ILE CG1 C 13 27.296 0.300 . 1 . . . . 23 ILE CG1 . 11266 1 217 . 1 1 23 23 ILE CG2 C 13 18.021 0.300 . 1 . . . . 23 ILE CG2 . 11266 1 218 . 1 1 23 23 ILE N N 15 128.416 0.300 . 1 . . . . 23 ILE N . 11266 1 219 . 1 1 24 24 GLU H H 1 8.447 0.030 . 1 . . . . 24 GLU H . 11266 1 220 . 1 1 24 24 GLU HA H 1 4.392 0.030 . 1 . . . . 24 GLU HA . 11266 1 221 . 1 1 24 24 GLU HB2 H 1 1.849 0.030 . 2 . . . . 24 GLU HB2 . 11266 1 222 . 1 1 24 24 GLU HB3 H 1 1.969 0.030 . 2 . . . . 24 GLU HB3 . 11266 1 223 . 1 1 24 24 GLU HG2 H 1 2.107 0.030 . 2 . . . . 24 GLU HG2 . 11266 1 224 . 1 1 24 24 GLU HG3 H 1 1.926 0.030 . 2 . . . . 24 GLU HG3 . 11266 1 225 . 1 1 24 24 GLU C C 13 175.893 0.300 . 1 . . . . 24 GLU C . 11266 1 226 . 1 1 24 24 GLU CA C 13 56.006 0.300 . 1 . . . . 24 GLU CA . 11266 1 227 . 1 1 24 24 GLU CB C 13 31.519 0.300 . 1 . . . . 24 GLU CB . 11266 1 228 . 1 1 24 24 GLU CG C 13 36.700 0.300 . 1 . . . . 24 GLU CG . 11266 1 229 . 1 1 24 24 GLU N N 15 124.667 0.300 . 1 . . . . 24 GLU N . 11266 1 230 . 1 1 25 25 ASP H H 1 8.458 0.030 . 1 . . . . 25 ASP H . 11266 1 231 . 1 1 25 25 ASP HA H 1 4.364 0.030 . 1 . . . . 25 ASP HA . 11266 1 232 . 1 1 25 25 ASP HB2 H 1 2.613 0.030 . 2 . . . . 25 ASP HB2 . 11266 1 233 . 1 1 25 25 ASP HB3 H 1 2.939 0.030 . 2 . . . . 25 ASP HB3 . 11266 1 234 . 1 1 25 25 ASP C C 13 175.166 0.300 . 1 . . . . 25 ASP C . 11266 1 235 . 1 1 25 25 ASP CA C 13 55.197 0.300 . 1 . . . . 25 ASP CA . 11266 1 236 . 1 1 25 25 ASP CB C 13 39.742 0.300 . 1 . . . . 25 ASP CB . 11266 1 237 . 1 1 25 25 ASP N N 15 118.789 0.300 . 1 . . . . 25 ASP N . 11266 1 238 . 1 1 26 26 VAL H H 1 8.273 0.030 . 1 . . . . 26 VAL H . 11266 1 239 . 1 1 26 26 VAL HA H 1 4.412 0.030 . 1 . . . . 26 VAL HA . 11266 1 240 . 1 1 26 26 VAL HB H 1 1.782 0.030 . 1 . . . . 26 VAL HB . 11266 1 241 . 1 1 26 26 VAL HG11 H 1 0.749 0.030 . 1 . . . . 26 VAL HG1 . 11266 1 242 . 1 1 26 26 VAL HG12 H 1 0.749 0.030 . 1 . . . . 26 VAL HG1 . 11266 1 243 . 1 1 26 26 VAL HG13 H 1 0.749 0.030 . 1 . . . . 26 VAL HG1 . 11266 1 244 . 1 1 26 26 VAL HG21 H 1 0.775 0.030 . 1 . . . . 26 VAL HG2 . 11266 1 245 . 1 1 26 26 VAL HG22 H 1 0.775 0.030 . 1 . . . . 26 VAL HG2 . 11266 1 246 . 1 1 26 26 VAL HG23 H 1 0.775 0.030 . 1 . . . . 26 VAL HG2 . 11266 1 247 . 1 1 26 26 VAL C C 13 174.270 0.300 . 1 . . . . 26 VAL C . 11266 1 248 . 1 1 26 26 VAL CA C 13 59.968 0.300 . 1 . . . . 26 VAL CA . 11266 1 249 . 1 1 26 26 VAL CB C 13 34.150 0.300 . 1 . . . . 26 VAL CB . 11266 1 250 . 1 1 26 26 VAL CG1 C 13 21.003 0.300 . 2 . . . . 26 VAL CG1 . 11266 1 251 . 1 1 26 26 VAL CG2 C 13 21.184 0.300 . 2 . . . . 26 VAL CG2 . 11266 1 252 . 1 1 26 26 VAL N N 15 117.744 0.300 . 1 . . . . 26 VAL N . 11266 1 253 . 1 1 27 27 SER H H 1 8.335 0.030 . 1 . . . . 27 SER H . 11266 1 254 . 1 1 27 27 SER HA H 1 4.570 0.030 . 1 . . . . 27 SER HA . 11266 1 255 . 1 1 27 27 SER HB2 H 1 3.767 0.030 . 2 . . . . 27 SER HB2 . 11266 1 256 . 1 1 27 27 SER HB3 H 1 4.082 0.030 . 2 . . . . 27 SER HB3 . 11266 1 257 . 1 1 27 27 SER C C 13 176.232 0.300 . 1 . . . . 27 SER C . 11266 1 258 . 1 1 27 27 SER CA C 13 57.370 0.300 . 1 . . . . 27 SER CA . 11266 1 259 . 1 1 27 27 SER CB C 13 64.130 0.300 . 1 . . . . 27 SER CB . 11266 1 260 . 1 1 27 27 SER N N 15 119.041 0.300 . 1 . . . . 27 SER N . 11266 1 261 . 1 1 28 28 ARG H H 1 8.877 0.030 . 1 . . . . 28 ARG H . 11266 1 262 . 1 1 28 28 ARG HA H 1 4.078 0.030 . 1 . . . . 28 ARG HA . 11266 1 263 . 1 1 28 28 ARG HB2 H 1 1.848 0.030 . 2 . . . . 28 ARG HB2 . 11266 1 264 . 1 1 28 28 ARG HB3 H 1 1.911 0.030 . 2 . . . . 28 ARG HB3 . 11266 1 265 . 1 1 28 28 ARG HD2 H 1 3.279 0.030 . 1 . . . . 28 ARG HD2 . 11266 1 266 . 1 1 28 28 ARG HD3 H 1 3.279 0.030 . 1 . . . . 28 ARG HD3 . 11266 1 267 . 1 1 28 28 ARG HG2 H 1 1.772 0.030 . 2 . . . . 28 ARG HG2 . 11266 1 268 . 1 1 28 28 ARG HG3 H 1 1.830 0.030 . 2 . . . . 28 ARG HG3 . 11266 1 269 . 1 1 28 28 ARG C C 13 176.305 0.300 . 1 . . . . 28 ARG C . 11266 1 270 . 1 1 28 28 ARG CA C 13 59.508 0.300 . 1 . . . . 28 ARG CA . 11266 1 271 . 1 1 28 28 ARG CB C 13 30.039 0.300 . 1 . . . . 28 ARG CB . 11266 1 272 . 1 1 28 28 ARG CD C 13 43.821 0.300 . 1 . . . . 28 ARG CD . 11266 1 273 . 1 1 28 28 ARG CG C 13 28.647 0.300 . 1 . . . . 28 ARG CG . 11266 1 274 . 1 1 28 28 ARG N N 15 123.660 0.300 . 1 . . . . 28 ARG N . 11266 1 275 . 1 1 29 29 LYS H H 1 7.931 0.030 . 1 . . . . 29 LYS H . 11266 1 276 . 1 1 29 29 LYS HA H 1 4.440 0.030 . 1 . . . . 29 LYS HA . 11266 1 277 . 1 1 29 29 LYS HB2 H 1 2.055 0.030 . 2 . . . . 29 LYS HB2 . 11266 1 278 . 1 1 29 29 LYS HB3 H 1 1.602 0.030 . 2 . . . . 29 LYS HB3 . 11266 1 279 . 1 1 29 29 LYS HD2 H 1 1.535 0.030 . 1 . . . . 29 LYS HD2 . 11266 1 280 . 1 1 29 29 LYS HD3 H 1 1.535 0.030 . 1 . . . . 29 LYS HD3 . 11266 1 281 . 1 1 29 29 LYS HE2 H 1 2.665 0.030 . 2 . . . . 29 LYS HE2 . 11266 1 282 . 1 1 29 29 LYS HE3 H 1 2.530 0.030 . 2 . . . . 29 LYS HE3 . 11266 1 283 . 1 1 29 29 LYS HG2 H 1 1.358 0.030 . 2 . . . . 29 LYS HG2 . 11266 1 284 . 1 1 29 29 LYS HG3 H 1 1.204 0.030 . 2 . . . . 29 LYS HG3 . 11266 1 285 . 1 1 29 29 LYS C C 13 175.505 0.300 . 1 . . . . 29 LYS C . 11266 1 286 . 1 1 29 29 LYS CA C 13 54.705 0.300 . 1 . . . . 29 LYS CA . 11266 1 287 . 1 1 29 29 LYS CB C 13 32.024 0.300 . 1 . . . . 29 LYS CB . 11266 1 288 . 1 1 29 29 LYS CD C 13 29.103 0.300 . 1 . . . . 29 LYS CD . 11266 1 289 . 1 1 29 29 LYS CE C 13 41.929 0.300 . 1 . . . . 29 LYS CE . 11266 1 290 . 1 1 29 29 LYS CG C 13 25.320 0.300 . 1 . . . . 29 LYS CG . 11266 1 291 . 1 1 29 29 LYS N N 15 113.597 0.300 . 1 . . . . 29 LYS N . 11266 1 292 . 1 1 30 30 ALA H H 1 7.543 0.030 . 1 . . . . 30 ALA H . 11266 1 293 . 1 1 30 30 ALA HA H 1 4.317 0.030 . 1 . . . . 30 ALA HA . 11266 1 294 . 1 1 30 30 ALA HB1 H 1 1.445 0.030 . 1 . . . . 30 ALA HB . 11266 1 295 . 1 1 30 30 ALA HB2 H 1 1.445 0.030 . 1 . . . . 30 ALA HB . 11266 1 296 . 1 1 30 30 ALA HB3 H 1 1.445 0.030 . 1 . . . . 30 ALA HB . 11266 1 297 . 1 1 30 30 ALA C C 13 177.662 0.300 . 1 . . . . 30 ALA C . 11266 1 298 . 1 1 30 30 ALA CA C 13 52.910 0.300 . 1 . . . . 30 ALA CA . 11266 1 299 . 1 1 30 30 ALA CB C 13 18.528 0.300 . 1 . . . . 30 ALA CB . 11266 1 300 . 1 1 30 30 ALA N N 15 122.790 0.300 . 1 . . . . 30 ALA N . 11266 1 301 . 1 1 31 31 THR H H 1 8.529 0.030 . 1 . . . . 31 THR H . 11266 1 302 . 1 1 31 31 THR HA H 1 4.722 0.030 . 1 . . . . 31 THR HA . 11266 1 303 . 1 1 31 31 THR HB H 1 4.885 0.030 . 1 . . . . 31 THR HB . 11266 1 304 . 1 1 31 31 THR HG21 H 1 1.369 0.030 . 1 . . . . 31 THR HG2 . 11266 1 305 . 1 1 31 31 THR HG22 H 1 1.369 0.030 . 1 . . . . 31 THR HG2 . 11266 1 306 . 1 1 31 31 THR HG23 H 1 1.369 0.030 . 1 . . . . 31 THR HG2 . 11266 1 307 . 1 1 31 31 THR C C 13 176.160 0.300 . 1 . . . . 31 THR C . 11266 1 308 . 1 1 31 31 THR CA C 13 60.721 0.300 . 1 . . . . 31 THR CA . 11266 1 309 . 1 1 31 31 THR CB C 13 71.233 0.300 . 1 . . . . 31 THR CB . 11266 1 310 . 1 1 31 31 THR CG2 C 13 22.607 0.300 . 1 . . . . 31 THR CG2 . 11266 1 311 . 1 1 31 31 THR N N 15 111.455 0.300 . 1 . . . . 31 THR N . 11266 1 312 . 1 1 32 32 ILE H H 1 8.513 0.030 . 1 . . . . 32 ILE H . 11266 1 313 . 1 1 32 32 ILE HA H 1 3.744 0.030 . 1 . . . . 32 ILE HA . 11266 1 314 . 1 1 32 32 ILE HB H 1 2.262 0.030 . 1 . . . . 32 ILE HB . 11266 1 315 . 1 1 32 32 ILE HD11 H 1 0.620 0.030 . 1 . . . . 32 ILE HD1 . 11266 1 316 . 1 1 32 32 ILE HD12 H 1 0.620 0.030 . 1 . . . . 32 ILE HD1 . 11266 1 317 . 1 1 32 32 ILE HD13 H 1 0.620 0.030 . 1 . . . . 32 ILE HD1 . 11266 1 318 . 1 1 32 32 ILE HG12 H 1 1.535 0.030 . 2 . . . . 32 ILE HG12 . 11266 1 319 . 1 1 32 32 ILE HG13 H 1 1.909 0.030 . 2 . . . . 32 ILE HG13 . 11266 1 320 . 1 1 32 32 ILE HG21 H 1 0.707 0.030 . 1 . . . . 32 ILE HG2 . 11266 1 321 . 1 1 32 32 ILE HG22 H 1 0.707 0.030 . 1 . . . . 32 ILE HG2 . 11266 1 322 . 1 1 32 32 ILE HG23 H 1 0.707 0.030 . 1 . . . . 32 ILE HG2 . 11266 1 323 . 1 1 32 32 ILE C C 13 178.631 0.300 . 1 . . . . 32 ILE C . 11266 1 324 . 1 1 32 32 ILE CA C 13 61.914 0.300 . 1 . . . . 32 ILE CA . 11266 1 325 . 1 1 32 32 ILE CB C 13 34.726 0.300 . 1 . . . . 32 ILE CB . 11266 1 326 . 1 1 32 32 ILE CD1 C 13 8.920 0.300 . 1 . . . . 32 ILE CD1 . 11266 1 327 . 1 1 32 32 ILE CG1 C 13 27.746 0.300 . 1 . . . . 32 ILE CG1 . 11266 1 328 . 1 1 32 32 ILE CG2 C 13 18.023 0.300 . 1 . . . . 32 ILE CG2 . 11266 1 329 . 1 1 32 32 ILE N N 15 120.333 0.300 . 1 . . . . 32 ILE N . 11266 1 330 . 1 1 33 33 GLU H H 1 10.519 0.030 . 1 . . . . 33 GLU H . 11266 1 331 . 1 1 33 33 GLU HA H 1 3.823 0.030 . 1 . . . . 33 GLU HA . 11266 1 332 . 1 1 33 33 GLU HB2 H 1 2.033 0.030 . 2 . . . . 33 GLU HB2 . 11266 1 333 . 1 1 33 33 GLU HB3 H 1 2.087 0.030 . 2 . . . . 33 GLU HB3 . 11266 1 334 . 1 1 33 33 GLU HG2 H 1 2.618 0.030 . 2 . . . . 33 GLU HG2 . 11266 1 335 . 1 1 33 33 GLU HG3 H 1 2.322 0.030 . 2 . . . . 33 GLU HG3 . 11266 1 336 . 1 1 33 33 GLU C C 13 179.939 0.300 . 1 . . . . 33 GLU C . 11266 1 337 . 1 1 33 33 GLU CA C 13 62.350 0.300 . 1 . . . . 33 GLU CA . 11266 1 338 . 1 1 33 33 GLU CB C 13 28.647 0.300 . 1 . . . . 33 GLU CB . 11266 1 339 . 1 1 33 33 GLU CG C 13 37.357 0.300 . 1 . . . . 33 GLU CG . 11266 1 340 . 1 1 33 33 GLU N N 15 121.379 0.300 . 1 . . . . 33 GLU N . 11266 1 341 . 1 1 34 34 GLU H H 1 8.044 0.030 . 1 . . . . 34 GLU H . 11266 1 342 . 1 1 34 34 GLU HA H 1 4.153 0.030 . 1 . . . . 34 GLU HA . 11266 1 343 . 1 1 34 34 GLU HB2 H 1 2.408 0.030 . 2 . . . . 34 GLU HB2 . 11266 1 344 . 1 1 34 34 GLU HB3 H 1 2.124 0.030 . 2 . . . . 34 GLU HB3 . 11266 1 345 . 1 1 34 34 GLU HG2 H 1 2.325 0.030 . 2 . . . . 34 GLU HG2 . 11266 1 346 . 1 1 34 34 GLU HG3 H 1 2.398 0.030 . 2 . . . . 34 GLU HG3 . 11266 1 347 . 1 1 34 34 GLU C C 13 180.012 0.300 . 1 . . . . 34 GLU C . 11266 1 348 . 1 1 34 34 GLU CA C 13 59.419 0.300 . 1 . . . . 34 GLU CA . 11266 1 349 . 1 1 34 34 GLU CB C 13 29.053 0.300 . 1 . . . . 34 GLU CB . 11266 1 350 . 1 1 34 34 GLU CG C 13 37.212 0.300 . 1 . . . . 34 GLU CG . 11266 1 351 . 1 1 34 34 GLU N N 15 121.774 0.300 . 1 . . . . 34 GLU N . 11266 1 352 . 1 1 35 35 LEU H H 1 8.239 0.030 . 1 . . . . 35 LEU H . 11266 1 353 . 1 1 35 35 LEU HA H 1 4.036 0.030 . 1 . . . . 35 LEU HA . 11266 1 354 . 1 1 35 35 LEU HB2 H 1 2.327 0.030 . 2 . . . . 35 LEU HB2 . 11266 1 355 . 1 1 35 35 LEU HB3 H 1 1.348 0.030 . 2 . . . . 35 LEU HB3 . 11266 1 356 . 1 1 35 35 LEU HD11 H 1 0.843 0.030 . 1 . . . . 35 LEU HD1 . 11266 1 357 . 1 1 35 35 LEU HD12 H 1 0.843 0.030 . 1 . . . . 35 LEU HD1 . 11266 1 358 . 1 1 35 35 LEU HD13 H 1 0.843 0.030 . 1 . . . . 35 LEU HD1 . 11266 1 359 . 1 1 35 35 LEU HD21 H 1 0.768 0.030 . 1 . . . . 35 LEU HD2 . 11266 1 360 . 1 1 35 35 LEU HD22 H 1 0.768 0.030 . 1 . . . . 35 LEU HD2 . 11266 1 361 . 1 1 35 35 LEU HD23 H 1 0.768 0.030 . 1 . . . . 35 LEU HD2 . 11266 1 362 . 1 1 35 35 LEU HG H 1 1.549 0.030 . 1 . . . . 35 LEU HG . 11266 1 363 . 1 1 35 35 LEU C C 13 178.994 0.300 . 1 . . . . 35 LEU C . 11266 1 364 . 1 1 35 35 LEU CA C 13 58.364 0.300 . 1 . . . . 35 LEU CA . 11266 1 365 . 1 1 35 35 LEU CB C 13 41.220 0.300 . 1 . . . . 35 LEU CB . 11266 1 366 . 1 1 35 35 LEU CD1 C 13 23.693 0.300 . 2 . . . . 35 LEU CD1 . 11266 1 367 . 1 1 35 35 LEU CD2 C 13 26.845 0.300 . 2 . . . . 35 LEU CD2 . 11266 1 368 . 1 1 35 35 LEU CG C 13 26.845 0.300 . 1 . . . . 35 LEU CG . 11266 1 369 . 1 1 35 35 LEU N N 15 122.514 0.300 . 1 . . . . 35 LEU N . 11266 1 370 . 1 1 36 36 ARG H H 1 8.956 0.030 . 1 . . . . 36 ARG H . 11266 1 371 . 1 1 36 36 ARG HA H 1 4.683 0.030 . 1 . . . . 36 ARG HA . 11266 1 372 . 1 1 36 36 ARG HB2 H 1 2.190 0.030 . 2 . . . . 36 ARG HB2 . 11266 1 373 . 1 1 36 36 ARG HB3 H 1 1.439 0.030 . 2 . . . . 36 ARG HB3 . 11266 1 374 . 1 1 36 36 ARG HD2 H 1 3.068 0.030 . 2 . . . . 36 ARG HD2 . 11266 1 375 . 1 1 36 36 ARG HD3 H 1 3.156 0.030 . 2 . . . . 36 ARG HD3 . 11266 1 376 . 1 1 36 36 ARG HE H 1 8.547 0.030 . 1 . . . . 36 ARG HE . 11266 1 377 . 1 1 36 36 ARG HG2 H 1 1.981 0.030 . 2 . . . . 36 ARG HG2 . 11266 1 378 . 1 1 36 36 ARG HG3 H 1 1.880 0.030 . 2 . . . . 36 ARG HG3 . 11266 1 379 . 1 1 36 36 ARG C C 13 181.199 0.300 . 1 . . . . 36 ARG C . 11266 1 380 . 1 1 36 36 ARG CA C 13 59.208 0.300 . 1 . . . . 36 ARG CA . 11266 1 381 . 1 1 36 36 ARG CB C 13 31.183 0.300 . 1 . . . . 36 ARG CB . 11266 1 382 . 1 1 36 36 ARG CD C 13 43.058 0.300 . 1 . . . . 36 ARG CD . 11266 1 383 . 1 1 36 36 ARG CG C 13 27.971 0.300 . 1 . . . . 36 ARG CG . 11266 1 384 . 1 1 36 36 ARG N N 15 116.909 0.300 . 1 . . . . 36 ARG N . 11266 1 385 . 1 1 36 36 ARG NE N 15 89.281 0.300 . 1 . . . . 36 ARG NE . 11266 1 386 . 1 1 37 37 GLU H H 1 7.772 0.030 . 1 . . . . 37 GLU H . 11266 1 387 . 1 1 37 37 GLU HA H 1 4.337 0.030 . 1 . . . . 37 GLU HA . 11266 1 388 . 1 1 37 37 GLU HB2 H 1 2.412 0.030 . 1 . . . . 37 GLU HB2 . 11266 1 389 . 1 1 37 37 GLU HB3 H 1 2.412 0.030 . 1 . . . . 37 GLU HB3 . 11266 1 390 . 1 1 37 37 GLU HG2 H 1 2.458 0.030 . 2 . . . . 37 GLU HG2 . 11266 1 391 . 1 1 37 37 GLU HG3 H 1 2.656 0.030 . 2 . . . . 37 GLU HG3 . 11266 1 392 . 1 1 37 37 GLU C C 13 179.770 0.300 . 1 . . . . 37 GLU C . 11266 1 393 . 1 1 37 37 GLU CA C 13 60.473 0.300 . 1 . . . . 37 GLU CA . 11266 1 394 . 1 1 37 37 GLU CB C 13 29.287 0.300 . 1 . . . . 37 GLU CB . 11266 1 395 . 1 1 37 37 GLU CG C 13 36.406 0.300 . 1 . . . . 37 GLU CG . 11266 1 396 . 1 1 37 37 GLU N N 15 119.946 0.300 . 1 . . . . 37 GLU N . 11266 1 397 . 1 1 38 38 ARG H H 1 7.897 0.030 . 1 . . . . 38 ARG H . 11266 1 398 . 1 1 38 38 ARG HA H 1 4.320 0.030 . 1 . . . . 38 ARG HA . 11266 1 399 . 1 1 38 38 ARG HB2 H 1 2.014 0.030 . 2 . . . . 38 ARG HB2 . 11266 1 400 . 1 1 38 38 ARG HB3 H 1 2.251 0.030 . 2 . . . . 38 ARG HB3 . 11266 1 401 . 1 1 38 38 ARG HD2 H 1 3.206 0.030 . 2 . . . . 38 ARG HD2 . 11266 1 402 . 1 1 38 38 ARG HD3 H 1 3.304 0.030 . 2 . . . . 38 ARG HD3 . 11266 1 403 . 1 1 38 38 ARG HG2 H 1 1.784 0.030 . 2 . . . . 38 ARG HG2 . 11266 1 404 . 1 1 38 38 ARG HG3 H 1 2.005 0.030 . 2 . . . . 38 ARG HG3 . 11266 1 405 . 1 1 38 38 ARG C C 13 179.624 0.300 . 1 . . . . 38 ARG C . 11266 1 406 . 1 1 38 38 ARG CA C 13 57.675 0.300 . 1 . . . . 38 ARG CA . 11266 1 407 . 1 1 38 38 ARG CB C 13 29.299 0.300 . 1 . . . . 38 ARG CB . 11266 1 408 . 1 1 38 38 ARG CD C 13 41.683 0.300 . 1 . . . . 38 ARG CD . 11266 1 409 . 1 1 38 38 ARG CG C 13 26.845 0.300 . 1 . . . . 38 ARG CG . 11266 1 410 . 1 1 38 38 ARG N N 15 119.384 0.300 . 1 . . . . 38 ARG N . 11266 1 411 . 1 1 39 39 VAL H H 1 8.790 0.030 . 1 . . . . 39 VAL H . 11266 1 412 . 1 1 39 39 VAL HA H 1 3.708 0.030 . 1 . . . . 39 VAL HA . 11266 1 413 . 1 1 39 39 VAL HB H 1 2.402 0.030 . 1 . . . . 39 VAL HB . 11266 1 414 . 1 1 39 39 VAL HG11 H 1 0.773 0.030 . 1 . . . . 39 VAL HG1 . 11266 1 415 . 1 1 39 39 VAL HG12 H 1 0.773 0.030 . 1 . . . . 39 VAL HG1 . 11266 1 416 . 1 1 39 39 VAL HG13 H 1 0.773 0.030 . 1 . . . . 39 VAL HG1 . 11266 1 417 . 1 1 39 39 VAL HG21 H 1 0.966 0.030 . 1 . . . . 39 VAL HG2 . 11266 1 418 . 1 1 39 39 VAL HG22 H 1 0.966 0.030 . 1 . . . . 39 VAL HG2 . 11266 1 419 . 1 1 39 39 VAL HG23 H 1 0.966 0.030 . 1 . . . . 39 VAL HG2 . 11266 1 420 . 1 1 39 39 VAL C C 13 177.880 0.300 . 1 . . . . 39 VAL C . 11266 1 421 . 1 1 39 39 VAL CA C 13 66.842 0.300 . 1 . . . . 39 VAL CA . 11266 1 422 . 1 1 39 39 VAL CB C 13 31.519 0.300 . 1 . . . . 39 VAL CB . 11266 1 423 . 1 1 39 39 VAL CG1 C 13 21.929 0.300 . 2 . . . . 39 VAL CG1 . 11266 1 424 . 1 1 39 39 VAL CG2 C 13 24.368 0.300 . 2 . . . . 39 VAL CG2 . 11266 1 425 . 1 1 39 39 VAL N N 15 119.917 0.300 . 1 . . . . 39 VAL N . 11266 1 426 . 1 1 40 40 TRP H H 1 8.682 0.030 . 1 . . . . 40 TRP H . 11266 1 427 . 1 1 40 40 TRP HA H 1 4.896 0.030 . 1 . . . . 40 TRP HA . 11266 1 428 . 1 1 40 40 TRP HB2 H 1 3.802 0.030 . 2 . . . . 40 TRP HB2 . 11266 1 429 . 1 1 40 40 TRP HB3 H 1 3.145 0.030 . 2 . . . . 40 TRP HB3 . 11266 1 430 . 1 1 40 40 TRP HD1 H 1 6.964 0.030 . 1 . . . . 40 TRP HD1 . 11266 1 431 . 1 1 40 40 TRP HE1 H 1 10.375 0.030 . 1 . . . . 40 TRP HE1 . 11266 1 432 . 1 1 40 40 TRP HE3 H 1 7.566 0.030 . 1 . . . . 40 TRP HE3 . 11266 1 433 . 1 1 40 40 TRP HH2 H 1 7.301 0.030 . 1 . . . . 40 TRP HH2 . 11266 1 434 . 1 1 40 40 TRP HZ2 H 1 7.515 0.030 . 1 . . . . 40 TRP HZ2 . 11266 1 435 . 1 1 40 40 TRP HZ3 H 1 7.259 0.030 . 1 . . . . 40 TRP HZ3 . 11266 1 436 . 1 1 40 40 TRP C C 13 178.534 0.300 . 1 . . . . 40 TRP C . 11266 1 437 . 1 1 40 40 TRP CA C 13 58.997 0.300 . 1 . . . . 40 TRP CA . 11266 1 438 . 1 1 40 40 TRP CB C 13 29.710 0.300 . 1 . . . . 40 TRP CB . 11266 1 439 . 1 1 40 40 TRP CD1 C 13 125.571 0.300 . 1 . . . . 40 TRP CD1 . 11266 1 440 . 1 1 40 40 TRP CE3 C 13 120.764 0.300 . 1 . . . . 40 TRP CE3 . 11266 1 441 . 1 1 40 40 TRP CH2 C 13 125.153 0.300 . 1 . . . . 40 TRP CH2 . 11266 1 442 . 1 1 40 40 TRP CZ2 C 13 114.693 0.300 . 1 . . . . 40 TRP CZ2 . 11266 1 443 . 1 1 40 40 TRP CZ3 C 13 122.554 0.300 . 1 . . . . 40 TRP CZ3 . 11266 1 444 . 1 1 40 40 TRP N N 15 123.744 0.300 . 1 . . . . 40 TRP N . 11266 1 445 . 1 1 40 40 TRP NE1 N 15 129.812 0.300 . 1 . . . . 40 TRP NE1 . 11266 1 446 . 1 1 41 41 ALA H H 1 7.377 0.030 . 1 . . . . 41 ALA H . 11266 1 447 . 1 1 41 41 ALA HA H 1 3.814 0.030 . 1 . . . . 41 ALA HA . 11266 1 448 . 1 1 41 41 ALA HB1 H 1 1.455 0.030 . 1 . . . . 41 ALA HB . 11266 1 449 . 1 1 41 41 ALA HB2 H 1 1.455 0.030 . 1 . . . . 41 ALA HB . 11266 1 450 . 1 1 41 41 ALA HB3 H 1 1.455 0.030 . 1 . . . . 41 ALA HB . 11266 1 451 . 1 1 41 41 ALA C C 13 179.266 0.300 . 1 . . . . 41 ALA C . 11266 1 452 . 1 1 41 41 ALA CA C 13 54.670 0.300 . 1 . . . . 41 ALA CA . 11266 1 453 . 1 1 41 41 ALA CB C 13 18.610 0.300 . 1 . . . . 41 ALA CB . 11266 1 454 . 1 1 41 41 ALA N N 15 119.737 0.300 . 1 . . . . 41 ALA N . 11266 1 455 . 1 1 42 42 LEU H H 1 7.539 0.030 . 1 . . . . 42 LEU H . 11266 1 456 . 1 1 42 42 LEU HA H 1 4.257 0.030 . 1 . . . . 42 LEU HA . 11266 1 457 . 1 1 42 42 LEU HB2 H 1 1.457 0.030 . 2 . . . . 42 LEU HB2 . 11266 1 458 . 1 1 42 42 LEU HB3 H 1 1.729 0.030 . 2 . . . . 42 LEU HB3 . 11266 1 459 . 1 1 42 42 LEU HD11 H 1 0.890 0.030 . 1 . . . . 42 LEU HD1 . 11266 1 460 . 1 1 42 42 LEU HD12 H 1 0.890 0.030 . 1 . . . . 42 LEU HD1 . 11266 1 461 . 1 1 42 42 LEU HD13 H 1 0.890 0.030 . 1 . . . . 42 LEU HD1 . 11266 1 462 . 1 1 42 42 LEU HD21 H 1 0.868 0.030 . 1 . . . . 42 LEU HD2 . 11266 1 463 . 1 1 42 42 LEU HD22 H 1 0.868 0.030 . 1 . . . . 42 LEU HD2 . 11266 1 464 . 1 1 42 42 LEU HD23 H 1 0.868 0.030 . 1 . . . . 42 LEU HD2 . 11266 1 465 . 1 1 42 42 LEU HG H 1 1.742 0.030 . 1 . . . . 42 LEU HG . 11266 1 466 . 1 1 42 42 LEU C C 13 178.001 0.300 . 1 . . . . 42 LEU C . 11266 1 467 . 1 1 42 42 LEU CA C 13 56.499 0.300 . 1 . . . . 42 LEU CA . 11266 1 468 . 1 1 42 42 LEU CB C 13 44.333 0.300 . 1 . . . . 42 LEU CB . 11266 1 469 . 1 1 42 42 LEU CD1 C 13 22.525 0.300 . 2 . . . . 42 LEU CD1 . 11266 1 470 . 1 1 42 42 LEU CD2 C 13 26.406 0.300 . 2 . . . . 42 LEU CD2 . 11266 1 471 . 1 1 42 42 LEU CG C 13 27.296 0.300 . 1 . . . . 42 LEU CG . 11266 1 472 . 1 1 42 42 LEU N N 15 115.844 0.300 . 1 . . . . 42 LEU N . 11266 1 473 . 1 1 43 43 PHE H H 1 8.935 0.030 . 1 . . . . 43 PHE H . 11266 1 474 . 1 1 43 43 PHE HA H 1 4.479 0.030 . 1 . . . . 43 PHE HA . 11266 1 475 . 1 1 43 43 PHE HB2 H 1 2.827 0.030 . 2 . . . . 43 PHE HB2 . 11266 1 476 . 1 1 43 43 PHE HB3 H 1 3.111 0.030 . 2 . . . . 43 PHE HB3 . 11266 1 477 . 1 1 43 43 PHE HD1 H 1 7.428 0.030 . 1 . . . . 43 PHE HD1 . 11266 1 478 . 1 1 43 43 PHE HD2 H 1 7.428 0.030 . 1 . . . . 43 PHE HD2 . 11266 1 479 . 1 1 43 43 PHE HE1 H 1 7.061 0.030 . 1 . . . . 43 PHE HE1 . 11266 1 480 . 1 1 43 43 PHE HE2 H 1 7.061 0.030 . 1 . . . . 43 PHE HE2 . 11266 1 481 . 1 1 43 43 PHE HZ H 1 7.375 0.030 . 1 . . . . 43 PHE HZ . 11266 1 482 . 1 1 43 43 PHE C C 13 175.699 0.300 . 1 . . . . 43 PHE C . 11266 1 483 . 1 1 43 43 PHE CA C 13 57.981 0.300 . 1 . . . . 43 PHE CA . 11266 1 484 . 1 1 43 43 PHE CB C 13 39.659 0.300 . 1 . . . . 43 PHE CB . 11266 1 485 . 1 1 43 43 PHE CD1 C 13 132.425 0.300 . 1 . . . . 43 PHE CD1 . 11266 1 486 . 1 1 43 43 PHE CD2 C 13 132.425 0.300 . 1 . . . . 43 PHE CD2 . 11266 1 487 . 1 1 43 43 PHE CE1 C 13 130.031 0.300 . 1 . . . . 43 PHE CE1 . 11266 1 488 . 1 1 43 43 PHE CE2 C 13 130.031 0.300 . 1 . . . . 43 PHE CE2 . 11266 1 489 . 1 1 43 43 PHE CZ C 13 130.027 0.300 . 1 . . . . 43 PHE CZ . 11266 1 490 . 1 1 43 43 PHE N N 15 114.002 0.300 . 1 . . . . 43 PHE N . 11266 1 491 . 1 1 44 44 ASP H H 1 8.346 0.030 . 1 . . . . 44 ASP H . 11266 1 492 . 1 1 44 44 ASP HA H 1 4.664 0.030 . 1 . . . . 44 ASP HA . 11266 1 493 . 1 1 44 44 ASP HB2 H 1 2.585 0.030 . 2 . . . . 44 ASP HB2 . 11266 1 494 . 1 1 44 44 ASP HB3 H 1 3.231 0.030 . 2 . . . . 44 ASP HB3 . 11266 1 495 . 1 1 44 44 ASP C C 13 174.367 0.300 . 1 . . . . 44 ASP C . 11266 1 496 . 1 1 44 44 ASP CA C 13 55.831 0.300 . 1 . . . . 44 ASP CA . 11266 1 497 . 1 1 44 44 ASP CB C 13 39.680 0.300 . 1 . . . . 44 ASP CB . 11266 1 498 . 1 1 44 44 ASP N N 15 119.118 0.300 . 1 . . . . 44 ASP N . 11266 1 499 . 1 1 45 45 VAL H H 1 6.559 0.030 . 1 . . . . 45 VAL H . 11266 1 500 . 1 1 45 45 VAL HA H 1 4.410 0.030 . 1 . . . . 45 VAL HA . 11266 1 501 . 1 1 45 45 VAL HB H 1 1.633 0.030 . 1 . . . . 45 VAL HB . 11266 1 502 . 1 1 45 45 VAL HG11 H 1 0.935 0.030 . 1 . . . . 45 VAL HG1 . 11266 1 503 . 1 1 45 45 VAL HG12 H 1 0.935 0.030 . 1 . . . . 45 VAL HG1 . 11266 1 504 . 1 1 45 45 VAL HG13 H 1 0.935 0.030 . 1 . . . . 45 VAL HG1 . 11266 1 505 . 1 1 45 45 VAL HG21 H 1 0.955 0.030 . 1 . . . . 45 VAL HG2 . 11266 1 506 . 1 1 45 45 VAL HG22 H 1 0.955 0.030 . 1 . . . . 45 VAL HG2 . 11266 1 507 . 1 1 45 45 VAL HG23 H 1 0.955 0.030 . 1 . . . . 45 VAL HG2 . 11266 1 508 . 1 1 45 45 VAL C C 13 174.997 0.300 . 1 . . . . 45 VAL C . 11266 1 509 . 1 1 45 45 VAL CA C 13 60.288 0.300 . 1 . . . . 45 VAL CA . 11266 1 510 . 1 1 45 45 VAL CB C 13 34.562 0.300 . 1 . . . . 45 VAL CB . 11266 1 511 . 1 1 45 45 VAL CG1 C 13 22.525 0.300 . 2 . . . . 45 VAL CG1 . 11266 1 512 . 1 1 45 45 VAL CG2 C 13 21.115 0.300 . 2 . . . . 45 VAL CG2 . 11266 1 513 . 1 1 45 45 VAL N N 15 115.300 0.300 . 1 . . . . 45 VAL N . 11266 1 514 . 1 1 46 46 ARG H H 1 8.958 0.030 . 1 . . . . 46 ARG H . 11266 1 515 . 1 1 46 46 ARG HA H 1 2.955 0.030 . 1 . . . . 46 ARG HA . 11266 1 516 . 1 1 46 46 ARG HB2 H 1 1.576 0.030 . 2 . . . . 46 ARG HB2 . 11266 1 517 . 1 1 46 46 ARG HB3 H 1 1.311 0.030 . 2 . . . . 46 ARG HB3 . 11266 1 518 . 1 1 46 46 ARG HD2 H 1 3.128 0.030 . 2 . . . . 46 ARG HD2 . 11266 1 519 . 1 1 46 46 ARG HD3 H 1 3.033 0.030 . 2 . . . . 46 ARG HD3 . 11266 1 520 . 1 1 46 46 ARG HG2 H 1 1.662 0.030 . 2 . . . . 46 ARG HG2 . 11266 1 521 . 1 1 46 46 ARG HG3 H 1 1.252 0.030 . 2 . . . . 46 ARG HG3 . 11266 1 522 . 1 1 46 46 ARG C C 13 175.505 0.300 . 1 . . . . 46 ARG C . 11266 1 523 . 1 1 46 46 ARG CA C 13 55.438 0.300 . 1 . . . . 46 ARG CA . 11266 1 524 . 1 1 46 46 ARG CB C 13 28.431 0.300 . 1 . . . . 46 ARG CB . 11266 1 525 . 1 1 46 46 ARG CD C 13 42.833 0.300 . 1 . . . . 46 ARG CD . 11266 1 526 . 1 1 46 46 ARG CG C 13 28.196 0.300 . 1 . . . . 46 ARG CG . 11266 1 527 . 1 1 46 46 ARG N N 15 128.231 0.300 . 1 . . . . 46 ARG N . 11266 1 528 . 1 1 47 47 PRO HA H 1 3.915 0.030 . 1 . . . . 47 PRO HA . 11266 1 529 . 1 1 47 47 PRO HB2 H 1 2.209 0.030 . 2 . . . . 47 PRO HB2 . 11266 1 530 . 1 1 47 47 PRO HB3 H 1 1.851 0.030 . 2 . . . . 47 PRO HB3 . 11266 1 531 . 1 1 47 47 PRO HD2 H 1 2.661 0.030 . 2 . . . . 47 PRO HD2 . 11266 1 532 . 1 1 47 47 PRO HD3 H 1 2.746 0.030 . 2 . . . . 47 PRO HD3 . 11266 1 533 . 1 1 47 47 PRO HG2 H 1 2.124 0.030 . 2 . . . . 47 PRO HG2 . 11266 1 534 . 1 1 47 47 PRO HG3 H 1 1.466 0.030 . 2 . . . . 47 PRO HG3 . 11266 1 535 . 1 1 47 47 PRO C C 13 178.171 0.300 . 1 . . . . 47 PRO C . 11266 1 536 . 1 1 47 47 PRO CA C 13 67.018 0.300 . 1 . . . . 47 PRO CA . 11266 1 537 . 1 1 47 47 PRO CB C 13 32.917 0.300 . 1 . . . . 47 PRO CB . 11266 1 538 . 1 1 47 47 PRO CD C 13 49.506 0.300 . 1 . . . . 47 PRO CD . 11266 1 539 . 1 1 47 47 PRO CG C 13 27.746 0.300 . 1 . . . . 47 PRO CG . 11266 1 540 . 1 1 48 48 GLU H H 1 9.833 0.030 . 1 . . . . 48 GLU H . 11266 1 541 . 1 1 48 48 GLU HA H 1 4.180 0.030 . 1 . . . . 48 GLU HA . 11266 1 542 . 1 1 48 48 GLU HB2 H 1 2.022 0.030 . 2 . . . . 48 GLU HB2 . 11266 1 543 . 1 1 48 48 GLU HB3 H 1 2.058 0.030 . 2 . . . . 48 GLU HB3 . 11266 1 544 . 1 1 48 48 GLU HG2 H 1 2.354 0.030 . 1 . . . . 48 GLU HG2 . 11266 1 545 . 1 1 48 48 GLU HG3 H 1 2.354 0.030 . 1 . . . . 48 GLU HG3 . 11266 1 546 . 1 1 48 48 GLU C C 13 177.419 0.300 . 1 . . . . 48 GLU C . 11266 1 547 . 1 1 48 48 GLU CA C 13 58.530 0.300 . 1 . . . . 48 GLU CA . 11266 1 548 . 1 1 48 48 GLU CB C 13 27.859 0.300 . 1 . . . . 48 GLU CB . 11266 1 549 . 1 1 48 48 GLU CG C 13 35.796 0.300 . 1 . . . . 48 GLU CG . 11266 1 550 . 1 1 48 48 GLU N N 15 115.142 0.300 . 1 . . . . 48 GLU N . 11266 1 551 . 1 1 49 49 CYS H H 1 8.062 0.030 . 1 . . . . 49 CYS H . 11266 1 552 . 1 1 49 49 CYS HA H 1 4.423 0.030 . 1 . . . . 49 CYS HA . 11266 1 553 . 1 1 49 49 CYS HB2 H 1 3.409 0.030 . 2 . . . . 49 CYS HB2 . 11266 1 554 . 1 1 49 49 CYS HB3 H 1 2.691 0.030 . 2 . . . . 49 CYS HB3 . 11266 1 555 . 1 1 49 49 CYS C C 13 172.961 0.300 . 1 . . . . 49 CYS C . 11266 1 556 . 1 1 49 49 CYS CA C 13 58.864 0.300 . 1 . . . . 49 CYS CA . 11266 1 557 . 1 1 49 49 CYS CB C 13 28.724 0.300 . 1 . . . . 49 CYS CB . 11266 1 558 . 1 1 49 49 CYS N N 15 118.338 0.300 . 1 . . . . 49 CYS N . 11266 1 559 . 1 1 50 50 GLN H H 1 7.220 0.030 . 1 . . . . 50 GLN H . 11266 1 560 . 1 1 50 50 GLN HA H 1 4.126 0.030 . 1 . . . . 50 GLN HA . 11266 1 561 . 1 1 50 50 GLN HB2 H 1 1.958 0.030 . 2 . . . . 50 GLN HB2 . 11266 1 562 . 1 1 50 50 GLN HB3 H 1 1.578 0.030 . 2 . . . . 50 GLN HB3 . 11266 1 563 . 1 1 50 50 GLN HE21 H 1 6.870 0.030 . 2 . . . . 50 GLN HE21 . 11266 1 564 . 1 1 50 50 GLN HE22 H 1 7.211 0.030 . 2 . . . . 50 GLN HE22 . 11266 1 565 . 1 1 50 50 GLN HG2 H 1 2.561 0.030 . 2 . . . . 50 GLN HG2 . 11266 1 566 . 1 1 50 50 GLN HG3 H 1 1.628 0.030 . 2 . . . . 50 GLN HG3 . 11266 1 567 . 1 1 50 50 GLN C C 13 177.032 0.300 . 1 . . . . 50 GLN C . 11266 1 568 . 1 1 50 50 GLN CA C 13 55.457 0.300 . 1 . . . . 50 GLN CA . 11266 1 569 . 1 1 50 50 GLN CB C 13 30.615 0.300 . 1 . . . . 50 GLN CB . 11266 1 570 . 1 1 50 50 GLN CG C 13 32.747 0.300 . 1 . . . . 50 GLN CG . 11266 1 571 . 1 1 50 50 GLN N N 15 117.849 0.300 . 1 . . . . 50 GLN N . 11266 1 572 . 1 1 50 50 GLN NE2 N 15 104.428 0.300 . 1 . . . . 50 GLN NE2 . 11266 1 573 . 1 1 51 51 ARG H H 1 8.610 0.030 . 1 . . . . 51 ARG H . 11266 1 574 . 1 1 51 51 ARG HA H 1 4.420 0.030 . 1 . . . . 51 ARG HA . 11266 1 575 . 1 1 51 51 ARG HB2 H 1 1.562 0.030 . 2 . . . . 51 ARG HB2 . 11266 1 576 . 1 1 51 51 ARG HB3 H 1 1.979 0.030 . 2 . . . . 51 ARG HB3 . 11266 1 577 . 1 1 51 51 ARG HD2 H 1 3.103 0.030 . 2 . . . . 51 ARG HD2 . 11266 1 578 . 1 1 51 51 ARG HD3 H 1 3.214 0.030 . 2 . . . . 51 ARG HD3 . 11266 1 579 . 1 1 51 51 ARG HG2 H 1 1.443 0.030 . 2 . . . . 51 ARG HG2 . 11266 1 580 . 1 1 51 51 ARG HG3 H 1 1.565 0.030 . 2 . . . . 51 ARG HG3 . 11266 1 581 . 1 1 51 51 ARG C C 13 173.494 0.300 . 1 . . . . 51 ARG C . 11266 1 582 . 1 1 51 51 ARG CA C 13 55.338 0.300 . 1 . . . . 51 ARG CA . 11266 1 583 . 1 1 51 51 ARG CB C 13 30.862 0.300 . 1 . . . . 51 ARG CB . 11266 1 584 . 1 1 51 51 ARG CD C 13 43.656 0.300 . 1 . . . . 51 ARG CD . 11266 1 585 . 1 1 51 51 ARG CG C 13 26.883 0.300 . 1 . . . . 51 ARG CG . 11266 1 586 . 1 1 51 51 ARG N N 15 123.567 0.300 . 1 . . . . 51 ARG N . 11266 1 587 . 1 1 52 52 LEU H H 1 8.517 0.030 . 1 . . . . 52 LEU H . 11266 1 588 . 1 1 52 52 LEU HA H 1 5.426 0.030 . 1 . . . . 52 LEU HA . 11266 1 589 . 1 1 52 52 LEU HB2 H 1 1.036 0.030 . 2 . . . . 52 LEU HB2 . 11266 1 590 . 1 1 52 52 LEU HB3 H 1 1.440 0.030 . 2 . . . . 52 LEU HB3 . 11266 1 591 . 1 1 52 52 LEU HD11 H 1 0.742 0.030 . 1 . . . . 52 LEU HD1 . 11266 1 592 . 1 1 52 52 LEU HD12 H 1 0.742 0.030 . 1 . . . . 52 LEU HD1 . 11266 1 593 . 1 1 52 52 LEU HD13 H 1 0.742 0.030 . 1 . . . . 52 LEU HD1 . 11266 1 594 . 1 1 52 52 LEU HD21 H 1 0.808 0.030 . 1 . . . . 52 LEU HD2 . 11266 1 595 . 1 1 52 52 LEU HD22 H 1 0.808 0.030 . 1 . . . . 52 LEU HD2 . 11266 1 596 . 1 1 52 52 LEU HD23 H 1 0.808 0.030 . 1 . . . . 52 LEU HD2 . 11266 1 597 . 1 1 52 52 LEU HG H 1 1.407 0.030 . 1 . . . . 52 LEU HG . 11266 1 598 . 1 1 52 52 LEU C C 13 175.796 0.300 . 1 . . . . 52 LEU C . 11266 1 599 . 1 1 52 52 LEU CA C 13 52.312 0.300 . 1 . . . . 52 LEU CA . 11266 1 600 . 1 1 52 52 LEU CB C 13 45.050 0.300 . 1 . . . . 52 LEU CB . 11266 1 601 . 1 1 52 52 LEU CD1 C 13 24.104 0.300 . 2 . . . . 52 LEU CD1 . 11266 1 602 . 1 1 52 52 LEU CD2 C 13 25.719 0.300 . 2 . . . . 52 LEU CD2 . 11266 1 603 . 1 1 52 52 LEU CG C 13 27.071 0.300 . 1 . . . . 52 LEU CG . 11266 1 604 . 1 1 52 52 LEU N N 15 124.305 0.300 . 1 . . . . 52 LEU N . 11266 1 605 . 1 1 53 53 PHE H H 1 9.287 0.030 . 1 . . . . 53 PHE H . 11266 1 606 . 1 1 53 53 PHE HA H 1 5.387 0.030 . 1 . . . . 53 PHE HA . 11266 1 607 . 1 1 53 53 PHE HB2 H 1 2.741 0.030 . 1 . . . . 53 PHE HB2 . 11266 1 608 . 1 1 53 53 PHE HB3 H 1 2.741 0.030 . 1 . . . . 53 PHE HB3 . 11266 1 609 . 1 1 53 53 PHE HD1 H 1 6.805 0.030 . 1 . . . . 53 PHE HD1 . 11266 1 610 . 1 1 53 53 PHE HD2 H 1 6.805 0.030 . 1 . . . . 53 PHE HD2 . 11266 1 611 . 1 1 53 53 PHE HE1 H 1 7.190 0.030 . 1 . . . . 53 PHE HE1 . 11266 1 612 . 1 1 53 53 PHE HE2 H 1 7.190 0.030 . 1 . . . . 53 PHE HE2 . 11266 1 613 . 1 1 53 53 PHE HZ H 1 7.170 0.030 . 1 . . . . 53 PHE HZ . 11266 1 614 . 1 1 53 53 PHE C C 13 174.875 0.300 . 1 . . . . 53 PHE C . 11266 1 615 . 1 1 53 53 PHE CA C 13 56.288 0.300 . 1 . . . . 53 PHE CA . 11266 1 616 . 1 1 53 53 PHE CB C 13 44.264 0.300 . 1 . . . . 53 PHE CB . 11266 1 617 . 1 1 53 53 PHE CD1 C 13 131.404 0.300 . 1 . . . . 53 PHE CD1 . 11266 1 618 . 1 1 53 53 PHE CD2 C 13 131.404 0.300 . 1 . . . . 53 PHE CD2 . 11266 1 619 . 1 1 53 53 PHE CE1 C 13 131.305 0.300 . 1 . . . . 53 PHE CE1 . 11266 1 620 . 1 1 53 53 PHE CE2 C 13 131.305 0.300 . 1 . . . . 53 PHE CE2 . 11266 1 621 . 1 1 53 53 PHE CZ C 13 129.196 0.300 . 1 . . . . 53 PHE CZ . 11266 1 622 . 1 1 53 53 PHE N N 15 119.146 0.300 . 1 . . . . 53 PHE N . 11266 1 623 . 1 1 54 54 TYR H H 1 9.028 0.030 . 1 . . . . 54 TYR H . 11266 1 624 . 1 1 54 54 TYR HA H 1 5.112 0.030 . 1 . . . . 54 TYR HA . 11266 1 625 . 1 1 54 54 TYR HB2 H 1 2.656 0.030 . 2 . . . . 54 TYR HB2 . 11266 1 626 . 1 1 54 54 TYR HB3 H 1 2.813 0.030 . 2 . . . . 54 TYR HB3 . 11266 1 627 . 1 1 54 54 TYR HD1 H 1 7.252 0.030 . 1 . . . . 54 TYR HD1 . 11266 1 628 . 1 1 54 54 TYR HD2 H 1 7.252 0.030 . 1 . . . . 54 TYR HD2 . 11266 1 629 . 1 1 54 54 TYR HE1 H 1 6.917 0.030 . 1 . . . . 54 TYR HE1 . 11266 1 630 . 1 1 54 54 TYR HE2 H 1 6.917 0.030 . 1 . . . . 54 TYR HE2 . 11266 1 631 . 1 1 54 54 TYR C C 13 174.948 0.300 . 1 . . . . 54 TYR C . 11266 1 632 . 1 1 54 54 TYR CA C 13 56.851 0.300 . 1 . . . . 54 TYR CA . 11266 1 633 . 1 1 54 54 TYR CB C 13 42.455 0.300 . 1 . . . . 54 TYR CB . 11266 1 634 . 1 1 54 54 TYR CD1 C 13 133.282 0.300 . 1 . . . . 54 TYR CD1 . 11266 1 635 . 1 1 54 54 TYR CD2 C 13 133.282 0.300 . 1 . . . . 54 TYR CD2 . 11266 1 636 . 1 1 54 54 TYR CE1 C 13 120.283 0.300 . 1 . . . . 54 TYR CE1 . 11266 1 637 . 1 1 54 54 TYR CE2 C 13 120.283 0.300 . 1 . . . . 54 TYR CE2 . 11266 1 638 . 1 1 54 54 TYR N N 15 120.519 0.300 . 1 . . . . 54 TYR N . 11266 1 639 . 1 1 55 55 ARG H H 1 9.197 0.030 . 1 . . . . 55 ARG H . 11266 1 640 . 1 1 55 55 ARG HA H 1 3.621 0.030 . 1 . . . . 55 ARG HA . 11266 1 641 . 1 1 55 55 ARG HB2 H 1 1.418 0.030 . 2 . . . . 55 ARG HB2 . 11266 1 642 . 1 1 55 55 ARG HB3 H 1 1.743 0.030 . 2 . . . . 55 ARG HB3 . 11266 1 643 . 1 1 55 55 ARG HD2 H 1 2.916 0.030 . 2 . . . . 55 ARG HD2 . 11266 1 644 . 1 1 55 55 ARG HD3 H 1 2.960 0.030 . 2 . . . . 55 ARG HD3 . 11266 1 645 . 1 1 55 55 ARG HG2 H 1 0.403 0.030 . 2 . . . . 55 ARG HG2 . 11266 1 646 . 1 1 55 55 ARG HG3 H 1 1.046 0.030 . 2 . . . . 55 ARG HG3 . 11266 1 647 . 1 1 55 55 ARG C C 13 176.329 0.300 . 1 . . . . 55 ARG C . 11266 1 648 . 1 1 55 55 ARG CA C 13 57.238 0.300 . 1 . . . . 55 ARG CA . 11266 1 649 . 1 1 55 55 ARG CB C 13 27.819 0.300 . 1 . . . . 55 ARG CB . 11266 1 650 . 1 1 55 55 ARG CD C 13 43.985 0.300 . 1 . . . . 55 ARG CD . 11266 1 651 . 1 1 55 55 ARG CG C 13 26.851 0.300 . 1 . . . . 55 ARG CG . 11266 1 652 . 1 1 55 55 ARG N N 15 127.650 0.300 . 1 . . . . 55 ARG N . 11266 1 653 . 1 1 56 56 GLY H H 1 8.775 0.030 . 1 . . . . 56 GLY H . 11266 1 654 . 1 1 56 56 GLY HA2 H 1 4.154 0.030 . 2 . . . . 56 GLY HA2 . 11266 1 655 . 1 1 56 56 GLY HA3 H 1 3.538 0.030 . 2 . . . . 56 GLY HA3 . 11266 1 656 . 1 1 56 56 GLY C C 13 173.664 0.300 . 1 . . . . 56 GLY C . 11266 1 657 . 1 1 56 56 GLY CA C 13 45.241 0.300 . 1 . . . . 56 GLY CA . 11266 1 658 . 1 1 56 56 GLY N N 15 103.772 0.300 . 1 . . . . 56 GLY N . 11266 1 659 . 1 1 57 57 LYS H H 1 8.001 0.030 . 1 . . . . 57 LYS H . 11266 1 660 . 1 1 57 57 LYS HA H 1 4.642 0.030 . 1 . . . . 57 LYS HA . 11266 1 661 . 1 1 57 57 LYS HB2 H 1 1.929 0.030 . 1 . . . . 57 LYS HB2 . 11266 1 662 . 1 1 57 57 LYS HB3 H 1 1.929 0.030 . 1 . . . . 57 LYS HB3 . 11266 1 663 . 1 1 57 57 LYS HD2 H 1 1.863 0.030 . 1 . . . . 57 LYS HD2 . 11266 1 664 . 1 1 57 57 LYS HD3 H 1 1.863 0.030 . 1 . . . . 57 LYS HD3 . 11266 1 665 . 1 1 57 57 LYS HE2 H 1 3.135 0.030 . 1 . . . . 57 LYS HE2 . 11266 1 666 . 1 1 57 57 LYS HE3 H 1 3.135 0.030 . 1 . . . . 57 LYS HE3 . 11266 1 667 . 1 1 57 57 LYS HG2 H 1 1.529 0.030 . 1 . . . . 57 LYS HG2 . 11266 1 668 . 1 1 57 57 LYS HG3 H 1 1.529 0.030 . 1 . . . . 57 LYS HG3 . 11266 1 669 . 1 1 57 57 LYS C C 13 175.094 0.300 . 1 . . . . 57 LYS C . 11266 1 670 . 1 1 57 57 LYS CA C 13 54.881 0.300 . 1 . . . . 57 LYS CA . 11266 1 671 . 1 1 57 57 LYS CB C 13 34.233 0.300 . 1 . . . . 57 LYS CB . 11266 1 672 . 1 1 57 57 LYS CD C 13 29.342 0.300 . 1 . . . . 57 LYS CD . 11266 1 673 . 1 1 57 57 LYS CE C 13 42.341 0.300 . 1 . . . . 57 LYS CE . 11266 1 674 . 1 1 57 57 LYS CG C 13 24.924 0.300 . 1 . . . . 57 LYS CG . 11266 1 675 . 1 1 57 57 LYS N N 15 122.187 0.300 . 1 . . . . 57 LYS N . 11266 1 676 . 1 1 58 58 GLN H H 1 8.759 0.030 . 1 . . . . 58 GLN H . 11266 1 677 . 1 1 58 58 GLN HA H 1 4.056 0.030 . 1 . . . . 58 GLN HA . 11266 1 678 . 1 1 58 58 GLN HB2 H 1 1.759 0.030 . 2 . . . . 58 GLN HB2 . 11266 1 679 . 1 1 58 58 GLN HB3 H 1 1.844 0.030 . 2 . . . . 58 GLN HB3 . 11266 1 680 . 1 1 58 58 GLN HE21 H 1 7.548 0.030 . 2 . . . . 58 GLN HE21 . 11266 1 681 . 1 1 58 58 GLN HE22 H 1 6.766 0.030 . 2 . . . . 58 GLN HE22 . 11266 1 682 . 1 1 58 58 GLN HG2 H 1 1.608 0.030 . 2 . . . . 58 GLN HG2 . 11266 1 683 . 1 1 58 58 GLN HG3 H 1 1.890 0.030 . 2 . . . . 58 GLN HG3 . 11266 1 684 . 1 1 58 58 GLN C C 13 175.384 0.300 . 1 . . . . 58 GLN C . 11266 1 685 . 1 1 58 58 GLN CA C 13 55.725 0.300 . 1 . . . . 58 GLN CA . 11266 1 686 . 1 1 58 58 GLN CB C 13 29.548 0.300 . 1 . . . . 58 GLN CB . 11266 1 687 . 1 1 58 58 GLN CG C 13 34.726 0.300 . 1 . . . . 58 GLN CG . 11266 1 688 . 1 1 58 58 GLN N N 15 125.019 0.300 . 1 . . . . 58 GLN N . 11266 1 689 . 1 1 58 58 GLN NE2 N 15 111.483 0.300 . 1 . . . . 58 GLN NE2 . 11266 1 690 . 1 1 59 59 LEU H H 1 8.501 0.030 . 1 . . . . 59 LEU H . 11266 1 691 . 1 1 59 59 LEU HA H 1 3.806 0.030 . 1 . . . . 59 LEU HA . 11266 1 692 . 1 1 59 59 LEU HB2 H 1 1.333 0.030 . 2 . . . . 59 LEU HB2 . 11266 1 693 . 1 1 59 59 LEU HB3 H 1 0.873 0.030 . 2 . . . . 59 LEU HB3 . 11266 1 694 . 1 1 59 59 LEU HD11 H 1 0.430 0.030 . 1 . . . . 59 LEU HD1 . 11266 1 695 . 1 1 59 59 LEU HD12 H 1 0.430 0.030 . 1 . . . . 59 LEU HD1 . 11266 1 696 . 1 1 59 59 LEU HD13 H 1 0.430 0.030 . 1 . . . . 59 LEU HD1 . 11266 1 697 . 1 1 59 59 LEU HD21 H 1 -0.232 0.030 . 1 . . . . 59 LEU HD2 . 11266 1 698 . 1 1 59 59 LEU HD22 H 1 -0.232 0.030 . 1 . . . . 59 LEU HD2 . 11266 1 699 . 1 1 59 59 LEU HD23 H 1 -0.232 0.030 . 1 . . . . 59 LEU HD2 . 11266 1 700 . 1 1 59 59 LEU HG H 1 1.093 0.030 . 1 . . . . 59 LEU HG . 11266 1 701 . 1 1 59 59 LEU C C 13 176.548 0.300 . 1 . . . . 59 LEU C . 11266 1 702 . 1 1 59 59 LEU CA C 13 54.322 0.300 . 1 . . . . 59 LEU CA . 11266 1 703 . 1 1 59 59 LEU CB C 13 40.975 0.300 . 1 . . . . 59 LEU CB . 11266 1 704 . 1 1 59 59 LEU CD1 C 13 25.586 0.300 . 2 . . . . 59 LEU CD1 . 11266 1 705 . 1 1 59 59 LEU CD2 C 13 20.248 0.300 . 2 . . . . 59 LEU CD2 . 11266 1 706 . 1 1 59 59 LEU CG C 13 25.951 0.300 . 1 . . . . 59 LEU CG . 11266 1 707 . 1 1 59 59 LEU N N 15 125.586 0.300 . 1 . . . . 59 LEU N . 11266 1 708 . 1 1 60 60 GLU H H 1 8.298 0.030 . 1 . . . . 60 GLU H . 11266 1 709 . 1 1 60 60 GLU HA H 1 4.624 0.030 . 1 . . . . 60 GLU HA . 11266 1 710 . 1 1 60 60 GLU HB2 H 1 1.967 0.030 . 2 . . . . 60 GLU HB2 . 11266 1 711 . 1 1 60 60 GLU HB3 H 1 2.285 0.030 . 2 . . . . 60 GLU HB3 . 11266 1 712 . 1 1 60 60 GLU HG2 H 1 2.356 0.030 . 2 . . . . 60 GLU HG2 . 11266 1 713 . 1 1 60 60 GLU HG3 H 1 2.209 0.030 . 2 . . . . 60 GLU HG3 . 11266 1 714 . 1 1 60 60 GLU C C 13 174.560 0.300 . 1 . . . . 60 GLU C . 11266 1 715 . 1 1 60 60 GLU CA C 13 54.740 0.300 . 1 . . . . 60 GLU CA . 11266 1 716 . 1 1 60 60 GLU CB C 13 32.999 0.300 . 1 . . . . 60 GLU CB . 11266 1 717 . 1 1 60 60 GLU CG C 13 35.927 0.300 . 1 . . . . 60 GLU CG . 11266 1 718 . 1 1 60 60 GLU N N 15 122.728 0.300 . 1 . . . . 60 GLU N . 11266 1 719 . 1 1 61 61 ASN H H 1 8.588 0.030 . 1 . . . . 61 ASN H . 11266 1 720 . 1 1 61 61 ASN HA H 1 4.570 0.030 . 1 . . . . 61 ASN HA . 11266 1 721 . 1 1 61 61 ASN HB2 H 1 2.953 0.030 . 2 . . . . 61 ASN HB2 . 11266 1 722 . 1 1 61 61 ASN HB3 H 1 2.727 0.030 . 2 . . . . 61 ASN HB3 . 11266 1 723 . 1 1 61 61 ASN HD21 H 1 7.136 0.030 . 2 . . . . 61 ASN HD21 . 11266 1 724 . 1 1 61 61 ASN HD22 H 1 7.592 0.030 . 2 . . . . 61 ASN HD22 . 11266 1 725 . 1 1 61 61 ASN C C 13 176.475 0.300 . 1 . . . . 61 ASN C . 11266 1 726 . 1 1 61 61 ASN CA C 13 53.966 0.300 . 1 . . . . 61 ASN CA . 11266 1 727 . 1 1 61 61 ASN CB C 13 37.406 0.300 . 1 . . . . 61 ASN CB . 11266 1 728 . 1 1 61 61 ASN N N 15 118.427 0.300 . 1 . . . . 61 ASN N . 11266 1 729 . 1 1 61 61 ASN ND2 N 15 111.025 0.300 . 1 . . . . 61 ASN ND2 . 11266 1 730 . 1 1 62 62 GLY H H 1 9.803 0.030 . 1 . . . . 62 GLY H . 11266 1 731 . 1 1 62 62 GLY HA2 H 1 4.141 0.030 . 2 . . . . 62 GLY HA2 . 11266 1 732 . 1 1 62 62 GLY HA3 H 1 3.702 0.030 . 2 . . . . 62 GLY HA3 . 11266 1 733 . 1 1 62 62 GLY C C 13 174.052 0.300 . 1 . . . . 62 GLY C . 11266 1 734 . 1 1 62 62 GLY CA C 13 45.065 0.300 . 1 . . . . 62 GLY CA . 11266 1 735 . 1 1 62 62 GLY N N 15 110.512 0.300 . 1 . . . . 62 GLY N . 11266 1 736 . 1 1 63 63 TYR H H 1 7.333 0.030 . 1 . . . . 63 TYR H . 11266 1 737 . 1 1 63 63 TYR HA H 1 4.932 0.030 . 1 . . . . 63 TYR HA . 11266 1 738 . 1 1 63 63 TYR HB2 H 1 3.380 0.030 . 2 . . . . 63 TYR HB2 . 11266 1 739 . 1 1 63 63 TYR HB3 H 1 3.275 0.030 . 2 . . . . 63 TYR HB3 . 11266 1 740 . 1 1 63 63 TYR HD1 H 1 7.164 0.030 . 1 . . . . 63 TYR HD1 . 11266 1 741 . 1 1 63 63 TYR HD2 H 1 7.164 0.030 . 1 . . . . 63 TYR HD2 . 11266 1 742 . 1 1 63 63 TYR HE1 H 1 6.718 0.030 . 1 . . . . 63 TYR HE1 . 11266 1 743 . 1 1 63 63 TYR HE2 H 1 6.718 0.030 . 1 . . . . 63 TYR HE2 . 11266 1 744 . 1 1 63 63 TYR C C 13 175.384 0.300 . 1 . . . . 63 TYR C . 11266 1 745 . 1 1 63 63 TYR CA C 13 57.203 0.300 . 1 . . . . 63 TYR CA . 11266 1 746 . 1 1 63 63 TYR CB C 13 42.455 0.300 . 1 . . . . 63 TYR CB . 11266 1 747 . 1 1 63 63 TYR CD1 C 13 133.787 0.300 . 1 . . . . 63 TYR CD1 . 11266 1 748 . 1 1 63 63 TYR CD2 C 13 133.787 0.300 . 1 . . . . 63 TYR CD2 . 11266 1 749 . 1 1 63 63 TYR CE1 C 13 118.580 0.300 . 1 . . . . 63 TYR CE1 . 11266 1 750 . 1 1 63 63 TYR CE2 C 13 118.580 0.300 . 1 . . . . 63 TYR CE2 . 11266 1 751 . 1 1 63 63 TYR N N 15 118.561 0.300 . 1 . . . . 63 TYR N . 11266 1 752 . 1 1 64 64 THR H H 1 9.706 0.030 . 1 . . . . 64 THR H . 11266 1 753 . 1 1 64 64 THR HA H 1 5.442 0.030 . 1 . . . . 64 THR HA . 11266 1 754 . 1 1 64 64 THR HB H 1 4.367 0.030 . 1 . . . . 64 THR HB . 11266 1 755 . 1 1 64 64 THR HG21 H 1 1.213 0.030 . 1 . . . . 64 THR HG2 . 11266 1 756 . 1 1 64 64 THR HG22 H 1 1.213 0.030 . 1 . . . . 64 THR HG2 . 11266 1 757 . 1 1 64 64 THR HG23 H 1 1.213 0.030 . 1 . . . . 64 THR HG2 . 11266 1 758 . 1 1 64 64 THR C C 13 176.668 0.300 . 1 . . . . 64 THR C . 11266 1 759 . 1 1 64 64 THR CA C 13 59.947 0.300 . 1 . . . . 64 THR CA . 11266 1 760 . 1 1 64 64 THR CB C 13 73.878 0.300 . 1 . . . . 64 THR CB . 11266 1 761 . 1 1 64 64 THR CG2 C 13 22.015 0.300 . 1 . . . . 64 THR CG2 . 11266 1 762 . 1 1 64 64 THR N N 15 111.368 0.300 . 1 . . . . 64 THR N . 11266 1 763 . 1 1 65 65 LEU H H 1 8.573 0.030 . 1 . . . . 65 LEU H . 11266 1 764 . 1 1 65 65 LEU HA H 1 4.017 0.030 . 1 . . . . 65 LEU HA . 11266 1 765 . 1 1 65 65 LEU HB2 H 1 1.269 0.030 . 2 . . . . 65 LEU HB2 . 11266 1 766 . 1 1 65 65 LEU HB3 H 1 2.077 0.030 . 2 . . . . 65 LEU HB3 . 11266 1 767 . 1 1 65 65 LEU HD11 H 1 0.839 0.030 . 1 . . . . 65 LEU HD1 . 11266 1 768 . 1 1 65 65 LEU HD12 H 1 0.839 0.030 . 1 . . . . 65 LEU HD1 . 11266 1 769 . 1 1 65 65 LEU HD13 H 1 0.839 0.030 . 1 . . . . 65 LEU HD1 . 11266 1 770 . 1 1 65 65 LEU HD21 H 1 0.642 0.030 . 1 . . . . 65 LEU HD2 . 11266 1 771 . 1 1 65 65 LEU HD22 H 1 0.642 0.030 . 1 . . . . 65 LEU HD2 . 11266 1 772 . 1 1 65 65 LEU HD23 H 1 0.642 0.030 . 1 . . . . 65 LEU HD2 . 11266 1 773 . 1 1 65 65 LEU HG H 1 1.778 0.030 . 1 . . . . 65 LEU HG . 11266 1 774 . 1 1 65 65 LEU C C 13 179.237 0.300 . 1 . . . . 65 LEU C . 11266 1 775 . 1 1 65 65 LEU CA C 13 58.786 0.300 . 1 . . . . 65 LEU CA . 11266 1 776 . 1 1 65 65 LEU CB C 13 41.031 0.300 . 1 . . . . 65 LEU CB . 11266 1 777 . 1 1 65 65 LEU CD1 C 13 26.401 0.300 . 2 . . . . 65 LEU CD1 . 11266 1 778 . 1 1 65 65 LEU CD2 C 13 22.854 0.300 . 2 . . . . 65 LEU CD2 . 11266 1 779 . 1 1 65 65 LEU CG C 13 26.845 0.300 . 1 . . . . 65 LEU CG . 11266 1 780 . 1 1 65 65 LEU N N 15 118.002 0.300 . 1 . . . . 65 LEU N . 11266 1 781 . 1 1 66 66 PHE H H 1 7.988 0.030 . 1 . . . . 66 PHE H . 11266 1 782 . 1 1 66 66 PHE HA H 1 4.305 0.030 . 1 . . . . 66 PHE HA . 11266 1 783 . 1 1 66 66 PHE HB2 H 1 3.040 0.030 . 2 . . . . 66 PHE HB2 . 11266 1 784 . 1 1 66 66 PHE HB3 H 1 3.172 0.030 . 2 . . . . 66 PHE HB3 . 11266 1 785 . 1 1 66 66 PHE HD1 H 1 7.170 0.030 . 1 . . . . 66 PHE HD1 . 11266 1 786 . 1 1 66 66 PHE HD2 H 1 7.170 0.030 . 1 . . . . 66 PHE HD2 . 11266 1 787 . 1 1 66 66 PHE HE1 H 1 7.370 0.030 . 1 . . . . 66 PHE HE1 . 11266 1 788 . 1 1 66 66 PHE HE2 H 1 7.370 0.030 . 1 . . . . 66 PHE HE2 . 11266 1 789 . 1 1 66 66 PHE HZ H 1 7.326 0.030 . 1 . . . . 66 PHE HZ . 11266 1 790 . 1 1 66 66 PHE C C 13 178.776 0.300 . 1 . . . . 66 PHE C . 11266 1 791 . 1 1 66 66 PHE CA C 13 60.973 0.300 . 1 . . . . 66 PHE CA . 11266 1 792 . 1 1 66 66 PHE CB C 13 39.742 0.300 . 1 . . . . 66 PHE CB . 11266 1 793 . 1 1 66 66 PHE CD1 C 13 131.836 0.300 . 1 . . . . 66 PHE CD1 . 11266 1 794 . 1 1 66 66 PHE CD2 C 13 131.836 0.300 . 1 . . . . 66 PHE CD2 . 11266 1 795 . 1 1 66 66 PHE CE1 C 13 131.731 0.300 . 1 . . . . 66 PHE CE1 . 11266 1 796 . 1 1 66 66 PHE CE2 C 13 131.731 0.300 . 1 . . . . 66 PHE CE2 . 11266 1 797 . 1 1 66 66 PHE CZ C 13 130.364 0.300 . 1 . . . . 66 PHE CZ . 11266 1 798 . 1 1 66 66 PHE N N 15 119.489 0.300 . 1 . . . . 66 PHE N . 11266 1 799 . 1 1 67 67 ASP H H 1 7.831 0.030 . 1 . . . . 67 ASP H . 11266 1 800 . 1 1 67 67 ASP HA H 1 4.235 0.030 . 1 . . . . 67 ASP HA . 11266 1 801 . 1 1 67 67 ASP HB2 H 1 2.497 0.030 . 2 . . . . 67 ASP HB2 . 11266 1 802 . 1 1 67 67 ASP HB3 H 1 2.962 0.030 . 2 . . . . 67 ASP HB3 . 11266 1 803 . 1 1 67 67 ASP C C 13 176.886 0.300 . 1 . . . . 67 ASP C . 11266 1 804 . 1 1 67 67 ASP CA C 13 57.680 0.300 . 1 . . . . 67 ASP CA . 11266 1 805 . 1 1 67 67 ASP CB C 13 41.031 0.300 . 1 . . . . 67 ASP CB . 11266 1 806 . 1 1 67 67 ASP N N 15 120.148 0.300 . 1 . . . . 67 ASP N . 11266 1 807 . 1 1 68 68 TYR H H 1 7.213 0.030 . 1 . . . . 68 TYR H . 11266 1 808 . 1 1 68 68 TYR HA H 1 4.493 0.030 . 1 . . . . 68 TYR HA . 11266 1 809 . 1 1 68 68 TYR HB2 H 1 2.448 0.030 . 2 . . . . 68 TYR HB2 . 11266 1 810 . 1 1 68 68 TYR HB3 H 1 3.352 0.030 . 2 . . . . 68 TYR HB3 . 11266 1 811 . 1 1 68 68 TYR HD1 H 1 7.154 0.030 . 1 . . . . 68 TYR HD1 . 11266 1 812 . 1 1 68 68 TYR HD2 H 1 7.154 0.030 . 1 . . . . 68 TYR HD2 . 11266 1 813 . 1 1 68 68 TYR HE1 H 1 6.754 0.030 . 1 . . . . 68 TYR HE1 . 11266 1 814 . 1 1 68 68 TYR HE2 H 1 6.754 0.030 . 1 . . . . 68 TYR HE2 . 11266 1 815 . 1 1 68 68 TYR C C 13 174.027 0.300 . 1 . . . . 68 TYR C . 11266 1 816 . 1 1 68 68 TYR CA C 13 58.365 0.300 . 1 . . . . 68 TYR CA . 11266 1 817 . 1 1 68 68 TYR CB C 13 40.131 0.300 . 1 . . . . 68 TYR CB . 11266 1 818 . 1 1 68 68 TYR CD1 C 13 133.339 0.300 . 1 . . . . 68 TYR CD1 . 11266 1 819 . 1 1 68 68 TYR CD2 C 13 133.339 0.300 . 1 . . . . 68 TYR CD2 . 11266 1 820 . 1 1 68 68 TYR CE1 C 13 117.608 0.300 . 1 . . . . 68 TYR CE1 . 11266 1 821 . 1 1 68 68 TYR CE2 C 13 117.608 0.300 . 1 . . . . 68 TYR CE2 . 11266 1 822 . 1 1 68 68 TYR N N 15 115.432 0.300 . 1 . . . . 68 TYR N . 11266 1 823 . 1 1 69 69 ASP H H 1 7.881 0.030 . 1 . . . . 69 ASP H . 11266 1 824 . 1 1 69 69 ASP HA H 1 4.118 0.030 . 1 . . . . 69 ASP HA . 11266 1 825 . 1 1 69 69 ASP HB2 H 1 3.181 0.030 . 2 . . . . 69 ASP HB2 . 11266 1 826 . 1 1 69 69 ASP HB3 H 1 2.524 0.030 . 2 . . . . 69 ASP HB3 . 11266 1 827 . 1 1 69 69 ASP C C 13 174.464 0.300 . 1 . . . . 69 ASP C . 11266 1 828 . 1 1 69 69 ASP CA C 13 55.197 0.300 . 1 . . . . 69 ASP CA . 11266 1 829 . 1 1 69 69 ASP CB C 13 39.824 0.300 . 1 . . . . 69 ASP CB . 11266 1 830 . 1 1 69 69 ASP N N 15 116.789 0.300 . 1 . . . . 69 ASP N . 11266 1 831 . 1 1 70 70 VAL H H 1 7.064 0.030 . 1 . . . . 70 VAL H . 11266 1 832 . 1 1 70 70 VAL HA H 1 3.324 0.030 . 1 . . . . 70 VAL HA . 11266 1 833 . 1 1 70 70 VAL HB H 1 1.530 0.030 . 1 . . . . 70 VAL HB . 11266 1 834 . 1 1 70 70 VAL HG11 H 1 0.648 0.030 . 1 . . . . 70 VAL HG1 . 11266 1 835 . 1 1 70 70 VAL HG12 H 1 0.648 0.030 . 1 . . . . 70 VAL HG1 . 11266 1 836 . 1 1 70 70 VAL HG13 H 1 0.648 0.030 . 1 . . . . 70 VAL HG1 . 11266 1 837 . 1 1 70 70 VAL HG21 H 1 0.107 0.030 . 1 . . . . 70 VAL HG2 . 11266 1 838 . 1 1 70 70 VAL HG22 H 1 0.107 0.030 . 1 . . . . 70 VAL HG2 . 11266 1 839 . 1 1 70 70 VAL HG23 H 1 0.107 0.030 . 1 . . . . 70 VAL HG2 . 11266 1 840 . 1 1 70 70 VAL C C 13 175.820 0.300 . 1 . . . . 70 VAL C . 11266 1 841 . 1 1 70 70 VAL CA C 13 63.711 0.300 . 1 . . . . 70 VAL CA . 11266 1 842 . 1 1 70 70 VAL CB C 13 31.273 0.300 . 1 . . . . 70 VAL CB . 11266 1 843 . 1 1 70 70 VAL CG1 C 13 21.765 0.300 . 2 . . . . 70 VAL CG1 . 11266 1 844 . 1 1 70 70 VAL CG2 C 13 20.763 0.300 . 2 . . . . 70 VAL CG2 . 11266 1 845 . 1 1 70 70 VAL N N 15 118.040 0.300 . 1 . . . . 70 VAL N . 11266 1 846 . 1 1 71 71 GLY H H 1 8.915 0.030 . 1 . . . . 71 GLY H . 11266 1 847 . 1 1 71 71 GLY HA2 H 1 4.412 0.030 . 2 . . . . 71 GLY HA2 . 11266 1 848 . 1 1 71 71 GLY HA3 H 1 3.570 0.030 . 2 . . . . 71 GLY HA3 . 11266 1 849 . 1 1 71 71 GLY C C 13 172.768 0.300 . 1 . . . . 71 GLY C . 11266 1 850 . 1 1 71 71 GLY CA C 13 43.658 0.300 . 1 . . . . 71 GLY CA . 11266 1 851 . 1 1 71 71 GLY N N 15 117.208 0.300 . 1 . . . . 71 GLY N . 11266 1 852 . 1 1 72 72 LEU H H 1 7.778 0.030 . 1 . . . . 72 LEU H . 11266 1 853 . 1 1 72 72 LEU HA H 1 3.833 0.030 . 1 . . . . 72 LEU HA . 11266 1 854 . 1 1 72 72 LEU HB2 H 1 1.326 0.030 . 2 . . . . 72 LEU HB2 . 11266 1 855 . 1 1 72 72 LEU HB3 H 1 1.460 0.030 . 2 . . . . 72 LEU HB3 . 11266 1 856 . 1 1 72 72 LEU HD11 H 1 0.348 0.030 . 1 . . . . 72 LEU HD1 . 11266 1 857 . 1 1 72 72 LEU HD12 H 1 0.348 0.030 . 1 . . . . 72 LEU HD1 . 11266 1 858 . 1 1 72 72 LEU HD13 H 1 0.348 0.030 . 1 . . . . 72 LEU HD1 . 11266 1 859 . 1 1 72 72 LEU HD21 H 1 0.667 0.030 . 1 . . . . 72 LEU HD2 . 11266 1 860 . 1 1 72 72 LEU HD22 H 1 0.667 0.030 . 1 . . . . 72 LEU HD2 . 11266 1 861 . 1 1 72 72 LEU HD23 H 1 0.667 0.030 . 1 . . . . 72 LEU HD2 . 11266 1 862 . 1 1 72 72 LEU HG H 1 1.114 0.030 . 1 . . . . 72 LEU HG . 11266 1 863 . 1 1 72 72 LEU C C 13 178.243 0.300 . 1 . . . . 72 LEU C . 11266 1 864 . 1 1 72 72 LEU CA C 13 56.464 0.300 . 1 . . . . 72 LEU CA . 11266 1 865 . 1 1 72 72 LEU CB C 13 42.373 0.300 . 1 . . . . 72 LEU CB . 11266 1 866 . 1 1 72 72 LEU CD1 C 13 23.729 0.300 . 2 . . . . 72 LEU CD1 . 11266 1 867 . 1 1 72 72 LEU CD2 C 13 24.956 0.300 . 2 . . . . 72 LEU CD2 . 11266 1 868 . 1 1 72 72 LEU CG C 13 26.845 0.300 . 1 . . . . 72 LEU CG . 11266 1 869 . 1 1 72 72 LEU N N 15 118.159 0.300 . 1 . . . . 72 LEU N . 11266 1 870 . 1 1 73 73 ASN H H 1 8.947 0.030 . 1 . . . . 73 ASN H . 11266 1 871 . 1 1 73 73 ASN HA H 1 4.236 0.030 . 1 . . . . 73 ASN HA . 11266 1 872 . 1 1 73 73 ASN HB2 H 1 3.171 0.030 . 2 . . . . 73 ASN HB2 . 11266 1 873 . 1 1 73 73 ASN HB3 H 1 2.500 0.030 . 2 . . . . 73 ASN HB3 . 11266 1 874 . 1 1 73 73 ASN HD21 H 1 7.492 0.030 . 2 . . . . 73 ASN HD21 . 11266 1 875 . 1 1 73 73 ASN HD22 H 1 6.753 0.030 . 2 . . . . 73 ASN HD22 . 11266 1 876 . 1 1 73 73 ASN C C 13 174.342 0.300 . 1 . . . . 73 ASN C . 11266 1 877 . 1 1 73 73 ASN CA C 13 54.529 0.300 . 1 . . . . 73 ASN CA . 11266 1 878 . 1 1 73 73 ASN CB C 13 39.659 0.300 . 1 . . . . 73 ASN CB . 11266 1 879 . 1 1 73 73 ASN N N 15 120.540 0.300 . 1 . . . . 73 ASN N . 11266 1 880 . 1 1 73 73 ASN ND2 N 15 111.104 0.300 . 1 . . . . 73 ASN ND2 . 11266 1 881 . 1 1 74 74 ASP H H 1 7.926 0.030 . 1 . . . . 74 ASP H . 11266 1 882 . 1 1 74 74 ASP HA H 1 4.810 0.030 . 1 . . . . 74 ASP HA . 11266 1 883 . 1 1 74 74 ASP HB2 H 1 2.986 0.030 . 2 . . . . 74 ASP HB2 . 11266 1 884 . 1 1 74 74 ASP HB3 H 1 2.757 0.030 . 2 . . . . 74 ASP HB3 . 11266 1 885 . 1 1 74 74 ASP C C 13 174.149 0.300 . 1 . . . . 74 ASP C . 11266 1 886 . 1 1 74 74 ASP CA C 13 54.986 0.300 . 1 . . . . 74 ASP CA . 11266 1 887 . 1 1 74 74 ASP CB C 13 42.608 0.300 . 1 . . . . 74 ASP CB . 11266 1 888 . 1 1 74 74 ASP N N 15 120.641 0.300 . 1 . . . . 74 ASP N . 11266 1 889 . 1 1 75 75 ILE H H 1 8.316 0.030 . 1 . . . . 75 ILE H . 11266 1 890 . 1 1 75 75 ILE HA H 1 4.744 0.030 . 1 . . . . 75 ILE HA . 11266 1 891 . 1 1 75 75 ILE HB H 1 1.758 0.030 . 1 . . . . 75 ILE HB . 11266 1 892 . 1 1 75 75 ILE HD11 H 1 0.911 0.030 . 1 . . . . 75 ILE HD1 . 11266 1 893 . 1 1 75 75 ILE HD12 H 1 0.911 0.030 . 1 . . . . 75 ILE HD1 . 11266 1 894 . 1 1 75 75 ILE HD13 H 1 0.911 0.030 . 1 . . . . 75 ILE HD1 . 11266 1 895 . 1 1 75 75 ILE HG12 H 1 1.732 0.030 . 2 . . . . 75 ILE HG12 . 11266 1 896 . 1 1 75 75 ILE HG13 H 1 0.933 0.030 . 2 . . . . 75 ILE HG13 . 11266 1 897 . 1 1 75 75 ILE HG21 H 1 0.795 0.030 . 1 . . . . 75 ILE HG2 . 11266 1 898 . 1 1 75 75 ILE HG22 H 1 0.795 0.030 . 1 . . . . 75 ILE HG2 . 11266 1 899 . 1 1 75 75 ILE HG23 H 1 0.795 0.030 . 1 . . . . 75 ILE HG2 . 11266 1 900 . 1 1 75 75 ILE C C 13 175.554 0.300 . 1 . . . . 75 ILE C . 11266 1 901 . 1 1 75 75 ILE CA C 13 60.897 0.300 . 1 . . . . 75 ILE CA . 11266 1 902 . 1 1 75 75 ILE CB C 13 40.482 0.300 . 1 . . . . 75 ILE CB . 11266 1 903 . 1 1 75 75 ILE CD1 C 13 13.858 0.300 . 1 . . . . 75 ILE CD1 . 11266 1 904 . 1 1 75 75 ILE CG1 C 13 28.652 0.300 . 1 . . . . 75 ILE CG1 . 11266 1 905 . 1 1 75 75 ILE CG2 C 13 18.289 0.300 . 1 . . . . 75 ILE CG2 . 11266 1 906 . 1 1 75 75 ILE N N 15 116.933 0.300 . 1 . . . . 75 ILE N . 11266 1 907 . 1 1 76 76 ILE H H 1 9.087 0.030 . 1 . . . . 76 ILE H . 11266 1 908 . 1 1 76 76 ILE HA H 1 4.764 0.030 . 1 . . . . 76 ILE HA . 11266 1 909 . 1 1 76 76 ILE HB H 1 1.853 0.030 . 1 . . . . 76 ILE HB . 11266 1 910 . 1 1 76 76 ILE HD11 H 1 0.642 0.030 . 1 . . . . 76 ILE HD1 . 11266 1 911 . 1 1 76 76 ILE HD12 H 1 0.642 0.030 . 1 . . . . 76 ILE HD1 . 11266 1 912 . 1 1 76 76 ILE HD13 H 1 0.642 0.030 . 1 . . . . 76 ILE HD1 . 11266 1 913 . 1 1 76 76 ILE HG12 H 1 1.488 0.030 . 2 . . . . 76 ILE HG12 . 11266 1 914 . 1 1 76 76 ILE HG13 H 1 1.151 0.030 . 2 . . . . 76 ILE HG13 . 11266 1 915 . 1 1 76 76 ILE HG21 H 1 0.851 0.030 . 1 . . . . 76 ILE HG2 . 11266 1 916 . 1 1 76 76 ILE HG22 H 1 0.851 0.030 . 1 . . . . 76 ILE HG2 . 11266 1 917 . 1 1 76 76 ILE HG23 H 1 0.851 0.030 . 1 . . . . 76 ILE HG2 . 11266 1 918 . 1 1 76 76 ILE C C 13 175.312 0.300 . 1 . . . . 76 ILE C . 11266 1 919 . 1 1 76 76 ILE CA C 13 59.419 0.300 . 1 . . . . 76 ILE CA . 11266 1 920 . 1 1 76 76 ILE CB C 13 40.399 0.300 . 1 . . . . 76 ILE CB . 11266 1 921 . 1 1 76 76 ILE CD1 C 13 13.645 0.300 . 1 . . . . 76 ILE CD1 . 11266 1 922 . 1 1 76 76 ILE CG1 C 13 28.872 0.300 . 1 . . . . 76 ILE CG1 . 11266 1 923 . 1 1 76 76 ILE CG2 C 13 18.743 0.300 . 1 . . . . 76 ILE CG2 . 11266 1 924 . 1 1 76 76 ILE N N 15 128.816 0.300 . 1 . . . . 76 ILE N . 11266 1 925 . 1 1 77 77 GLN H H 1 9.144 0.030 . 1 . . . . 77 GLN H . 11266 1 926 . 1 1 77 77 GLN HA H 1 5.381 0.030 . 1 . . . . 77 GLN HA . 11266 1 927 . 1 1 77 77 GLN HB2 H 1 1.883 0.030 . 2 . . . . 77 GLN HB2 . 11266 1 928 . 1 1 77 77 GLN HB3 H 1 2.133 0.030 . 2 . . . . 77 GLN HB3 . 11266 1 929 . 1 1 77 77 GLN HE21 H 1 7.364 0.030 . 2 . . . . 77 GLN HE21 . 11266 1 930 . 1 1 77 77 GLN HE22 H 1 6.738 0.030 . 2 . . . . 77 GLN HE22 . 11266 1 931 . 1 1 77 77 GLN HG2 H 1 2.287 0.030 . 2 . . . . 77 GLN HG2 . 11266 1 932 . 1 1 77 77 GLN HG3 H 1 2.376 0.030 . 2 . . . . 77 GLN HG3 . 11266 1 933 . 1 1 77 77 GLN C C 13 175.118 0.300 . 1 . . . . 77 GLN C . 11266 1 934 . 1 1 77 77 GLN CA C 13 54.986 0.300 . 1 . . . . 77 GLN CA . 11266 1 935 . 1 1 77 77 GLN CB C 13 31.766 0.300 . 1 . . . . 77 GLN CB . 11266 1 936 . 1 1 77 77 GLN CG C 13 34.940 0.300 . 1 . . . . 77 GLN CG . 11266 1 937 . 1 1 77 77 GLN N N 15 124.535 0.300 . 1 . . . . 77 GLN N . 11266 1 938 . 1 1 77 77 GLN NE2 N 15 111.247 0.300 . 1 . . . . 77 GLN NE2 . 11266 1 939 . 1 1 78 78 LEU H H 1 8.556 0.030 . 1 . . . . 78 LEU H . 11266 1 940 . 1 1 78 78 LEU HA H 1 5.050 0.030 . 1 . . . . 78 LEU HA . 11266 1 941 . 1 1 78 78 LEU HB2 H 1 1.120 0.030 . 2 . . . . 78 LEU HB2 . 11266 1 942 . 1 1 78 78 LEU HB3 H 1 0.705 0.030 . 2 . . . . 78 LEU HB3 . 11266 1 943 . 1 1 78 78 LEU HD11 H 1 0.594 0.030 . 1 . . . . 78 LEU HD1 . 11266 1 944 . 1 1 78 78 LEU HD12 H 1 0.594 0.030 . 1 . . . . 78 LEU HD1 . 11266 1 945 . 1 1 78 78 LEU HD13 H 1 0.594 0.030 . 1 . . . . 78 LEU HD1 . 11266 1 946 . 1 1 78 78 LEU HD21 H 1 -0.024 0.030 . 1 . . . . 78 LEU HD2 . 11266 1 947 . 1 1 78 78 LEU HD22 H 1 -0.024 0.030 . 1 . . . . 78 LEU HD2 . 11266 1 948 . 1 1 78 78 LEU HD23 H 1 -0.024 0.030 . 1 . . . . 78 LEU HD2 . 11266 1 949 . 1 1 78 78 LEU HG H 1 1.128 0.030 . 1 . . . . 78 LEU HG . 11266 1 950 . 1 1 78 78 LEU C C 13 173.737 0.300 . 1 . . . . 78 LEU C . 11266 1 951 . 1 1 78 78 LEU CA C 13 53.544 0.300 . 1 . . . . 78 LEU CA . 11266 1 952 . 1 1 78 78 LEU CB C 13 44.593 0.300 . 1 . . . . 78 LEU CB . 11266 1 953 . 1 1 78 78 LEU CD1 C 13 23.429 0.300 . 2 . . . . 78 LEU CD1 . 11266 1 954 . 1 1 78 78 LEU CD2 C 13 25.494 0.300 . 2 . . . . 78 LEU CD2 . 11266 1 955 . 1 1 78 78 LEU CG C 13 27.526 0.300 . 1 . . . . 78 LEU CG . 11266 1 956 . 1 1 78 78 LEU N N 15 122.754 0.300 . 1 . . . . 78 LEU N . 11266 1 957 . 1 1 79 79 LEU H H 1 9.523 0.030 . 1 . . . . 79 LEU H . 11266 1 958 . 1 1 79 79 LEU HA H 1 4.727 0.030 . 1 . . . . 79 LEU HA . 11266 1 959 . 1 1 79 79 LEU HB2 H 1 1.532 0.030 . 2 . . . . 79 LEU HB2 . 11266 1 960 . 1 1 79 79 LEU HB3 H 1 2.022 0.030 . 2 . . . . 79 LEU HB3 . 11266 1 961 . 1 1 79 79 LEU HD11 H 1 0.955 0.030 . 1 . . . . 79 LEU HD1 . 11266 1 962 . 1 1 79 79 LEU HD12 H 1 0.955 0.030 . 1 . . . . 79 LEU HD1 . 11266 1 963 . 1 1 79 79 LEU HD13 H 1 0.955 0.030 . 1 . . . . 79 LEU HD1 . 11266 1 964 . 1 1 79 79 LEU HD21 H 1 0.879 0.030 . 1 . . . . 79 LEU HD2 . 11266 1 965 . 1 1 79 79 LEU HD22 H 1 0.879 0.030 . 1 . . . . 79 LEU HD2 . 11266 1 966 . 1 1 79 79 LEU HD23 H 1 0.879 0.030 . 1 . . . . 79 LEU HD2 . 11266 1 967 . 1 1 79 79 LEU HG H 1 1.555 0.030 . 1 . . . . 79 LEU HG . 11266 1 968 . 1 1 79 79 LEU C C 13 174.246 0.300 . 1 . . . . 79 LEU C . 11266 1 969 . 1 1 79 79 LEU CA C 13 54.177 0.300 . 1 . . . . 79 LEU CA . 11266 1 970 . 1 1 79 79 LEU CB C 13 45.421 0.300 . 1 . . . . 79 LEU CB . 11266 1 971 . 1 1 79 79 LEU CD1 C 13 24.594 0.300 . 2 . . . . 79 LEU CD1 . 11266 1 972 . 1 1 79 79 LEU CD2 C 13 25.785 0.300 . 2 . . . . 79 LEU CD2 . 11266 1 973 . 1 1 79 79 LEU CG C 13 27.746 0.300 . 1 . . . . 79 LEU CG . 11266 1 974 . 1 1 79 79 LEU N N 15 132.366 0.300 . 1 . . . . 79 LEU N . 11266 1 975 . 1 1 80 80 VAL H H 1 8.508 0.030 . 1 . . . . 80 VAL H . 11266 1 976 . 1 1 80 80 VAL HA H 1 4.380 0.030 . 1 . . . . 80 VAL HA . 11266 1 977 . 1 1 80 80 VAL HB H 1 2.025 0.030 . 1 . . . . 80 VAL HB . 11266 1 978 . 1 1 80 80 VAL HG11 H 1 0.932 0.030 . 1 . . . . 80 VAL HG1 . 11266 1 979 . 1 1 80 80 VAL HG12 H 1 0.932 0.030 . 1 . . . . 80 VAL HG1 . 11266 1 980 . 1 1 80 80 VAL HG13 H 1 0.932 0.030 . 1 . . . . 80 VAL HG1 . 11266 1 981 . 1 1 80 80 VAL HG21 H 1 0.941 0.030 . 1 . . . . 80 VAL HG2 . 11266 1 982 . 1 1 80 80 VAL HG22 H 1 0.941 0.030 . 1 . . . . 80 VAL HG2 . 11266 1 983 . 1 1 80 80 VAL HG23 H 1 0.941 0.030 . 1 . . . . 80 VAL HG2 . 11266 1 984 . 1 1 80 80 VAL C C 13 176.160 0.300 . 1 . . . . 80 VAL C . 11266 1 985 . 1 1 80 80 VAL CA C 13 62.198 0.300 . 1 . . . . 80 VAL CA . 11266 1 986 . 1 1 80 80 VAL CB C 13 32.753 0.300 . 1 . . . . 80 VAL CB . 11266 1 987 . 1 1 80 80 VAL CG1 C 13 21.666 0.300 . 2 . . . . 80 VAL CG1 . 11266 1 988 . 1 1 80 80 VAL CG2 C 13 21.441 0.300 . 2 . . . . 80 VAL CG2 . 11266 1 989 . 1 1 80 80 VAL N N 15 125.215 0.300 . 1 . . . . 80 VAL N . 11266 1 990 . 1 1 81 81 ARG H H 1 8.866 0.030 . 1 . . . . 81 ARG H . 11266 1 991 . 1 1 81 81 ARG HA H 1 4.685 0.030 . 1 . . . . 81 ARG HA . 11266 1 992 . 1 1 81 81 ARG HB2 H 1 1.865 0.030 . 2 . . . . 81 ARG HB2 . 11266 1 993 . 1 1 81 81 ARG HB3 H 1 1.602 0.030 . 2 . . . . 81 ARG HB3 . 11266 1 994 . 1 1 81 81 ARG HD2 H 1 3.170 0.030 . 1 . . . . 81 ARG HD2 . 11266 1 995 . 1 1 81 81 ARG HD3 H 1 3.170 0.030 . 1 . . . . 81 ARG HD3 . 11266 1 996 . 1 1 81 81 ARG HG2 H 1 1.583 0.030 . 2 . . . . 81 ARG HG2 . 11266 1 997 . 1 1 81 81 ARG HG3 H 1 1.627 0.030 . 2 . . . . 81 ARG HG3 . 11266 1 998 . 1 1 81 81 ARG C C 13 173.664 0.300 . 1 . . . . 81 ARG C . 11266 1 999 . 1 1 81 81 ARG CA C 13 53.097 0.300 . 1 . . . . 81 ARG CA . 11266 1 1000 . 1 1 81 81 ARG CB C 13 31.124 0.300 . 1 . . . . 81 ARG CB . 11266 1 1001 . 1 1 81 81 ARG CD C 13 43.280 0.300 . 1 . . . . 81 ARG CD . 11266 1 1002 . 1 1 81 81 ARG CG C 13 26.845 0.300 . 1 . . . . 81 ARG CG . 11266 1 1003 . 1 1 81 81 ARG N N 15 129.209 0.300 . 1 . . . . 81 ARG N . 11266 1 1004 . 1 1 82 82 PRO HA H 1 4.513 0.030 . 1 . . . . 82 PRO HA . 11266 1 1005 . 1 1 82 82 PRO HB2 H 1 2.329 0.030 . 2 . . . . 82 PRO HB2 . 11266 1 1006 . 1 1 82 82 PRO HB3 H 1 1.970 0.030 . 2 . . . . 82 PRO HB3 . 11266 1 1007 . 1 1 82 82 PRO HD2 H 1 3.703 0.030 . 2 . . . . 82 PRO HD2 . 11266 1 1008 . 1 1 82 82 PRO HD3 H 1 3.852 0.030 . 2 . . . . 82 PRO HD3 . 11266 1 1009 . 1 1 82 82 PRO HG2 H 1 2.042 0.030 . 1 . . . . 82 PRO HG2 . 11266 1 1010 . 1 1 82 82 PRO HG3 H 1 2.042 0.030 . 1 . . . . 82 PRO HG3 . 11266 1 1011 . 1 1 82 82 PRO C C 13 176.426 0.300 . 1 . . . . 82 PRO C . 11266 1 1012 . 1 1 82 82 PRO CA C 13 63.187 0.300 . 1 . . . . 82 PRO CA . 11266 1 1013 . 1 1 82 82 PRO CB C 13 32.342 0.300 . 1 . . . . 82 PRO CB . 11266 1 1014 . 1 1 82 82 PRO CD C 13 50.663 0.300 . 1 . . . . 82 PRO CD . 11266 1 1015 . 1 1 82 82 PRO CG C 13 27.212 0.300 . 1 . . . . 82 PRO CG . 11266 1 1016 . 1 1 83 83 ASP H H 1 8.423 0.030 . 1 . . . . 83 ASP H . 11266 1 1017 . 1 1 83 83 ASP HA H 1 4.590 0.030 . 1 . . . . 83 ASP HA . 11266 1 1018 . 1 1 83 83 ASP HB2 H 1 2.694 0.030 . 1 . . . . 83 ASP HB2 . 11266 1 1019 . 1 1 83 83 ASP HB3 H 1 2.694 0.030 . 1 . . . . 83 ASP HB3 . 11266 1 1020 . 1 1 83 83 ASP C C 13 176.208 0.300 . 1 . . . . 83 ASP C . 11266 1 1021 . 1 1 83 83 ASP CA C 13 54.177 0.300 . 1 . . . . 83 ASP CA . 11266 1 1022 . 1 1 83 83 ASP CB C 13 41.257 0.300 . 1 . . . . 83 ASP CB . 11266 1 1023 . 1 1 83 83 ASP N N 15 120.496 0.300 . 1 . . . . 83 ASP N . 11266 1 1024 . 1 1 84 84 SER H H 1 8.205 0.030 . 1 . . . . 84 SER H . 11266 1 1025 . 1 1 84 84 SER HA H 1 4.486 0.030 . 1 . . . . 84 SER HA . 11266 1 1026 . 1 1 84 84 SER HB2 H 1 3.883 0.030 . 1 . . . . 84 SER HB2 . 11266 1 1027 . 1 1 84 84 SER HB3 H 1 3.883 0.030 . 1 . . . . 84 SER HB3 . 11266 1 1028 . 1 1 84 84 SER C C 13 174.682 0.300 . 1 . . . . 84 SER C . 11266 1 1029 . 1 1 84 84 SER CA C 13 58.293 0.300 . 1 . . . . 84 SER CA . 11266 1 1030 . 1 1 84 84 SER CB C 13 64.080 0.300 . 1 . . . . 84 SER CB . 11266 1 1031 . 1 1 84 84 SER N N 15 115.793 0.300 . 1 . . . . 84 SER N . 11266 1 1032 . 1 1 85 85 GLY H H 1 8.345 0.030 . 1 . . . . 85 GLY H . 11266 1 1033 . 1 1 85 85 GLY C C 13 171.895 0.300 . 1 . . . . 85 GLY C . 11266 1 1034 . 1 1 85 85 GLY CA C 13 44.748 0.300 . 1 . . . . 85 GLY CA . 11266 1 1035 . 1 1 85 85 GLY N N 15 110.705 0.300 . 1 . . . . 85 GLY N . 11266 1 stop_ save_