data_11281 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11281 _Entry.Title ; Structure of the UBX domain in Mouse UBX Domain-Containing Protein 2 ; _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 . . . 11281 2 M. Yoneyama . . . 11281 3 S. Koshiba . . . 11281 4 S. Watanabe . . . 11281 5 T. Harada . . . 11281 6 T. Kigawa . . . 11281 7 S. Yokoyama . . . 11281 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)' . 11281 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11281 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 450 11281 '15N chemical shifts' 99 11281 '1H chemical shifts' 693 11281 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 . 11281 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DZK 'BMRB Entry Tracking System' 11281 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11281 _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 'Structure of the UBX domain in Mouse UBX Domain-Containing Protein 2' _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 . . . 11281 1 2 M. Yoneyama . . . 11281 1 3 S. Koshiba . . . 11281 1 4 S. Watanabe . . . 11281 1 5 T. Harada . . . 11281 1 6 T. Kigawa . . . 11281 1 7 S. Yokoyama . . . 11281 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11281 _Assembly.ID 1 _Assembly.Name 'UBX domain-containing protein 2' _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 'UBX domain' 1 $entity_1 A . yes native no no . . . 11281 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 2dzk . . . . . . 11281 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11281 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'UBX 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 ; GSSGSSGRDRSTIARIQFRL PDGSSFTNQFPSDAPLEEAR QFAAQTVGNTYGNFSLATMF PRREFTREDYKRRLLDLELA PSASVVLLPAGRPATSIVHS SSGDILMID ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2DZK . "Structure Of The Ubx Domain In Mouse Ubx Domain-Containing Protein 2" . . . . . 100.00 109 100.00 100.00 6.12e-71 . . . . 11281 1 no DBJ BAC97908 . "mKIAA0242 protein [Mus musculus]" . . . . . 91.74 194 97.00 98.00 5.34e-62 . . . . 11281 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'UBX domain' . 11281 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 . 11281 1 2 . SER . 11281 1 3 . SER . 11281 1 4 . GLY . 11281 1 5 . SER . 11281 1 6 . SER . 11281 1 7 . GLY . 11281 1 8 . ARG . 11281 1 9 . ASP . 11281 1 10 . ARG . 11281 1 11 . SER . 11281 1 12 . THR . 11281 1 13 . ILE . 11281 1 14 . ALA . 11281 1 15 . ARG . 11281 1 16 . ILE . 11281 1 17 . GLN . 11281 1 18 . PHE . 11281 1 19 . ARG . 11281 1 20 . LEU . 11281 1 21 . PRO . 11281 1 22 . ASP . 11281 1 23 . GLY . 11281 1 24 . SER . 11281 1 25 . SER . 11281 1 26 . PHE . 11281 1 27 . THR . 11281 1 28 . ASN . 11281 1 29 . GLN . 11281 1 30 . PHE . 11281 1 31 . PRO . 11281 1 32 . SER . 11281 1 33 . ASP . 11281 1 34 . ALA . 11281 1 35 . PRO . 11281 1 36 . LEU . 11281 1 37 . GLU . 11281 1 38 . GLU . 11281 1 39 . ALA . 11281 1 40 . ARG . 11281 1 41 . GLN . 11281 1 42 . PHE . 11281 1 43 . ALA . 11281 1 44 . ALA . 11281 1 45 . GLN . 11281 1 46 . THR . 11281 1 47 . VAL . 11281 1 48 . GLY . 11281 1 49 . ASN . 11281 1 50 . THR . 11281 1 51 . TYR . 11281 1 52 . GLY . 11281 1 53 . ASN . 11281 1 54 . PHE . 11281 1 55 . SER . 11281 1 56 . LEU . 11281 1 57 . ALA . 11281 1 58 . THR . 11281 1 59 . MET . 11281 1 60 . PHE . 11281 1 61 . PRO . 11281 1 62 . ARG . 11281 1 63 . ARG . 11281 1 64 . GLU . 11281 1 65 . PHE . 11281 1 66 . THR . 11281 1 67 . ARG . 11281 1 68 . GLU . 11281 1 69 . ASP . 11281 1 70 . TYR . 11281 1 71 . LYS . 11281 1 72 . ARG . 11281 1 73 . ARG . 11281 1 74 . LEU . 11281 1 75 . LEU . 11281 1 76 . ASP . 11281 1 77 . LEU . 11281 1 78 . GLU . 11281 1 79 . LEU . 11281 1 80 . ALA . 11281 1 81 . PRO . 11281 1 82 . SER . 11281 1 83 . ALA . 11281 1 84 . SER . 11281 1 85 . VAL . 11281 1 86 . VAL . 11281 1 87 . LEU . 11281 1 88 . LEU . 11281 1 89 . PRO . 11281 1 90 . ALA . 11281 1 91 . GLY . 11281 1 92 . ARG . 11281 1 93 . PRO . 11281 1 94 . ALA . 11281 1 95 . THR . 11281 1 96 . SER . 11281 1 97 . ILE . 11281 1 98 . VAL . 11281 1 99 . HIS . 11281 1 100 . SER . 11281 1 101 . SER . 11281 1 102 . SER . 11281 1 103 . GLY . 11281 1 104 . ASP . 11281 1 105 . ILE . 11281 1 106 . LEU . 11281 1 107 . MET . 11281 1 108 . ILE . 11281 1 109 . ASP . 11281 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 11281 1 . SER 2 2 11281 1 . SER 3 3 11281 1 . GLY 4 4 11281 1 . SER 5 5 11281 1 . SER 6 6 11281 1 . GLY 7 7 11281 1 . ARG 8 8 11281 1 . ASP 9 9 11281 1 . ARG 10 10 11281 1 . SER 11 11 11281 1 . THR 12 12 11281 1 . ILE 13 13 11281 1 . ALA 14 14 11281 1 . ARG 15 15 11281 1 . ILE 16 16 11281 1 . GLN 17 17 11281 1 . PHE 18 18 11281 1 . ARG 19 19 11281 1 . LEU 20 20 11281 1 . PRO 21 21 11281 1 . ASP 22 22 11281 1 . GLY 23 23 11281 1 . SER 24 24 11281 1 . SER 25 25 11281 1 . PHE 26 26 11281 1 . THR 27 27 11281 1 . ASN 28 28 11281 1 . GLN 29 29 11281 1 . PHE 30 30 11281 1 . PRO 31 31 11281 1 . SER 32 32 11281 1 . ASP 33 33 11281 1 . ALA 34 34 11281 1 . PRO 35 35 11281 1 . LEU 36 36 11281 1 . GLU 37 37 11281 1 . GLU 38 38 11281 1 . ALA 39 39 11281 1 . ARG 40 40 11281 1 . GLN 41 41 11281 1 . PHE 42 42 11281 1 . ALA 43 43 11281 1 . ALA 44 44 11281 1 . GLN 45 45 11281 1 . THR 46 46 11281 1 . VAL 47 47 11281 1 . GLY 48 48 11281 1 . ASN 49 49 11281 1 . THR 50 50 11281 1 . TYR 51 51 11281 1 . GLY 52 52 11281 1 . ASN 53 53 11281 1 . PHE 54 54 11281 1 . SER 55 55 11281 1 . LEU 56 56 11281 1 . ALA 57 57 11281 1 . THR 58 58 11281 1 . MET 59 59 11281 1 . PHE 60 60 11281 1 . PRO 61 61 11281 1 . ARG 62 62 11281 1 . ARG 63 63 11281 1 . GLU 64 64 11281 1 . PHE 65 65 11281 1 . THR 66 66 11281 1 . ARG 67 67 11281 1 . GLU 68 68 11281 1 . ASP 69 69 11281 1 . TYR 70 70 11281 1 . LYS 71 71 11281 1 . ARG 72 72 11281 1 . ARG 73 73 11281 1 . LEU 74 74 11281 1 . LEU 75 75 11281 1 . ASP 76 76 11281 1 . LEU 77 77 11281 1 . GLU 78 78 11281 1 . LEU 79 79 11281 1 . ALA 80 80 11281 1 . PRO 81 81 11281 1 . SER 82 82 11281 1 . ALA 83 83 11281 1 . SER 84 84 11281 1 . VAL 85 85 11281 1 . VAL 86 86 11281 1 . LEU 87 87 11281 1 . LEU 88 88 11281 1 . PRO 89 89 11281 1 . ALA 90 90 11281 1 . GLY 91 91 11281 1 . ARG 92 92 11281 1 . PRO 93 93 11281 1 . ALA 94 94 11281 1 . THR 95 95 11281 1 . SER 96 96 11281 1 . ILE 97 97 11281 1 . VAL 98 98 11281 1 . HIS 99 99 11281 1 . SER 100 100 11281 1 . SER 101 101 11281 1 . SER 102 102 11281 1 . GLY 103 103 11281 1 . ASP 104 104 11281 1 . ILE 105 105 11281 1 . LEU 106 106 11281 1 . MET 107 107 11281 1 . ILE 108 108 11281 1 . ASP 109 109 11281 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 11281 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11281 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 11281 _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' . . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P060227-20 . . . . . . 11281 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11281 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.18mM UBX domain U-15N, {13C;} 20mM d-Tris-HCl (pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 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 'UBX domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.18 . . mM . . . . 11281 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11281 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11281 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11281 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11281 1 6 H2O . . . . . . solvent 90 . . % . . . . 11281 1 7 D2O . . . . . . solvent 10 . . % . . . . 11281 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 11281 _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' 120 0.1 mM 11281 1 pH 7.0 0.05 pH 11281 1 pressure 1 0.001 atm 11281 1 temperature 296.0 0.1 K 11281 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11281 _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 . . 11281 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11281 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11281 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11281 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11281 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11281 _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.' . . 11281 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11281 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11281 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9748 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11281 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11281 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11281 _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.' . . 11281 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11281 5 'structure solution' 11281 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 11281 _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 11281 _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 . . . 11281 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 11281 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11281 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11281 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 11281 _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 . . . . . . . . . 11281 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11281 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11281 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 11281 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11281 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11281 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 . . 11281 1 2 $NMRPipe . . 11281 1 3 $NMRView . . 11281 1 4 $Kujira . . 11281 1 5 $CYANA . . 11281 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 C C 13 174.371 0.300 . 1 . . . . 7 GLY C . 11281 1 2 . 1 1 7 7 GLY CA C 13 45.600 0.300 . 1 . . . . 7 GLY CA . 11281 1 3 . 1 1 8 8 ARG H H 1 8.159 0.030 . 1 . . . . 8 ARG H . 11281 1 4 . 1 1 8 8 ARG HA H 1 4.317 0.030 . 1 . . . . 8 ARG HA . 11281 1 5 . 1 1 8 8 ARG HB2 H 1 1.809 0.030 . 1 . . . . 8 ARG HB2 . 11281 1 6 . 1 1 8 8 ARG HB3 H 1 1.809 0.030 . 1 . . . . 8 ARG HB3 . 11281 1 7 . 1 1 8 8 ARG HD2 H 1 3.197 0.030 . 1 . . . . 8 ARG HD2 . 11281 1 8 . 1 1 8 8 ARG HD3 H 1 3.197 0.030 . 1 . . . . 8 ARG HD3 . 11281 1 9 . 1 1 8 8 ARG HG2 H 1 1.650 0.030 . 1 . . . . 8 ARG HG2 . 11281 1 10 . 1 1 8 8 ARG HG3 H 1 1.650 0.030 . 1 . . . . 8 ARG HG3 . 11281 1 11 . 1 1 8 8 ARG C C 13 176.268 0.300 . 1 . . . . 8 ARG C . 11281 1 12 . 1 1 8 8 ARG CA C 13 56.383 0.300 . 1 . . . . 8 ARG CA . 11281 1 13 . 1 1 8 8 ARG CB C 13 30.768 0.300 . 1 . . . . 8 ARG CB . 11281 1 14 . 1 1 8 8 ARG CD C 13 43.434 0.300 . 1 . . . . 8 ARG CD . 11281 1 15 . 1 1 8 8 ARG CG C 13 27.175 0.300 . 1 . . . . 8 ARG CG . 11281 1 16 . 1 1 8 8 ARG N N 15 120.488 0.300 . 1 . . . . 8 ARG N . 11281 1 17 . 1 1 9 9 ASP H H 1 8.396 0.030 . 1 . . . . 9 ASP H . 11281 1 18 . 1 1 9 9 ASP HA H 1 4.549 0.030 . 1 . . . . 9 ASP HA . 11281 1 19 . 1 1 9 9 ASP HB2 H 1 2.692 0.030 . 2 . . . . 9 ASP HB2 . 11281 1 20 . 1 1 9 9 ASP HB3 H 1 2.630 0.030 . 2 . . . . 9 ASP HB3 . 11281 1 21 . 1 1 9 9 ASP C C 13 176.379 0.300 . 1 . . . . 9 ASP C . 11281 1 22 . 1 1 9 9 ASP CA C 13 54.602 0.300 . 1 . . . . 9 ASP CA . 11281 1 23 . 1 1 9 9 ASP CB C 13 41.174 0.300 . 1 . . . . 9 ASP CB . 11281 1 24 . 1 1 9 9 ASP N N 15 120.998 0.300 . 1 . . . . 9 ASP N . 11281 1 25 . 1 1 10 10 ARG H H 1 8.285 0.030 . 1 . . . . 10 ARG H . 11281 1 26 . 1 1 10 10 ARG HA H 1 4.331 0.030 . 1 . . . . 10 ARG HA . 11281 1 27 . 1 1 10 10 ARG HB2 H 1 1.860 0.030 . 2 . . . . 10 ARG HB2 . 11281 1 28 . 1 1 10 10 ARG HB3 H 1 1.758 0.030 . 2 . . . . 10 ARG HB3 . 11281 1 29 . 1 1 10 10 ARG HD2 H 1 3.197 0.030 . 1 . . . . 10 ARG HD2 . 11281 1 30 . 1 1 10 10 ARG HD3 H 1 3.197 0.030 . 1 . . . . 10 ARG HD3 . 11281 1 31 . 1 1 10 10 ARG HG2 H 1 1.609 0.030 . 1 . . . . 10 ARG HG2 . 11281 1 32 . 1 1 10 10 ARG HG3 H 1 1.609 0.030 . 1 . . . . 10 ARG HG3 . 11281 1 33 . 1 1 10 10 ARG C C 13 176.468 0.300 . 1 . . . . 10 ARG C . 11281 1 34 . 1 1 10 10 ARG CA C 13 56.191 0.300 . 1 . . . . 10 ARG CA . 11281 1 35 . 1 1 10 10 ARG CB C 13 30.541 0.300 . 1 . . . . 10 ARG CB . 11281 1 36 . 1 1 10 10 ARG CD C 13 43.191 0.300 . 1 . . . . 10 ARG CD . 11281 1 37 . 1 1 10 10 ARG CG C 13 26.909 0.300 . 1 . . . . 10 ARG CG . 11281 1 38 . 1 1 10 10 ARG N N 15 121.523 0.300 . 1 . . . . 10 ARG N . 11281 1 39 . 1 1 11 11 SER H H 1 8.375 0.030 . 1 . . . . 11 SER H . 11281 1 40 . 1 1 11 11 SER HA H 1 4.474 0.030 . 1 . . . . 11 SER HA . 11281 1 41 . 1 1 11 11 SER HB2 H 1 3.874 0.030 . 1 . . . . 11 SER HB2 . 11281 1 42 . 1 1 11 11 SER HB3 H 1 3.874 0.030 . 1 . . . . 11 SER HB3 . 11281 1 43 . 1 1 11 11 SER C C 13 175.565 0.300 . 1 . . . . 11 SER C . 11281 1 44 . 1 1 11 11 SER CA C 13 58.939 0.300 . 1 . . . . 11 SER CA . 11281 1 45 . 1 1 11 11 SER CB C 13 63.872 0.300 . 1 . . . . 11 SER CB . 11281 1 46 . 1 1 11 11 SER N N 15 116.255 0.300 . 1 . . . . 11 SER N . 11281 1 47 . 1 1 12 12 THR HA H 1 4.360 0.030 . 1 . . . . 12 THR HA . 11281 1 48 . 1 1 12 12 THR HB H 1 4.441 0.030 . 1 . . . . 12 THR HB . 11281 1 49 . 1 1 12 12 THR HG21 H 1 1.231 0.030 . 1 . . . . 12 THR HG2 . 11281 1 50 . 1 1 12 12 THR HG22 H 1 1.231 0.030 . 1 . . . . 12 THR HG2 . 11281 1 51 . 1 1 12 12 THR HG23 H 1 1.231 0.030 . 1 . . . . 12 THR HG2 . 11281 1 52 . 1 1 12 12 THR C C 13 174.813 0.300 . 1 . . . . 12 THR C . 11281 1 53 . 1 1 12 12 THR CA C 13 62.416 0.300 . 1 . . . . 12 THR CA . 11281 1 54 . 1 1 12 12 THR CB C 13 69.346 0.300 . 1 . . . . 12 THR CB . 11281 1 55 . 1 1 12 12 THR CG2 C 13 22.092 0.300 . 1 . . . . 12 THR CG2 . 11281 1 56 . 1 1 13 13 ILE H H 1 7.866 0.030 . 1 . . . . 13 ILE H . 11281 1 57 . 1 1 13 13 ILE HA H 1 4.767 0.030 . 1 . . . . 13 ILE HA . 11281 1 58 . 1 1 13 13 ILE HB H 1 1.693 0.030 . 1 . . . . 13 ILE HB . 11281 1 59 . 1 1 13 13 ILE HD11 H 1 0.722 0.030 . 1 . . . . 13 ILE HD1 . 11281 1 60 . 1 1 13 13 ILE HD12 H 1 0.722 0.030 . 1 . . . . 13 ILE HD1 . 11281 1 61 . 1 1 13 13 ILE HD13 H 1 0.722 0.030 . 1 . . . . 13 ILE HD1 . 11281 1 62 . 1 1 13 13 ILE HG12 H 1 1.408 0.030 . 2 . . . . 13 ILE HG12 . 11281 1 63 . 1 1 13 13 ILE HG13 H 1 1.099 0.030 . 2 . . . . 13 ILE HG13 . 11281 1 64 . 1 1 13 13 ILE HG21 H 1 0.783 0.030 . 1 . . . . 13 ILE HG2 . 11281 1 65 . 1 1 13 13 ILE HG22 H 1 0.783 0.030 . 1 . . . . 13 ILE HG2 . 11281 1 66 . 1 1 13 13 ILE HG23 H 1 0.783 0.030 . 1 . . . . 13 ILE HG2 . 11281 1 67 . 1 1 13 13 ILE C C 13 174.292 0.300 . 1 . . . . 13 ILE C . 11281 1 68 . 1 1 13 13 ILE CA C 13 59.545 0.300 . 1 . . . . 13 ILE CA . 11281 1 69 . 1 1 13 13 ILE CB C 13 41.746 0.300 . 1 . . . . 13 ILE CB . 11281 1 70 . 1 1 13 13 ILE CD1 C 13 12.792 0.300 . 1 . . . . 13 ILE CD1 . 11281 1 71 . 1 1 13 13 ILE CG1 C 13 26.743 0.300 . 1 . . . . 13 ILE CG1 . 11281 1 72 . 1 1 13 13 ILE CG2 C 13 18.439 0.300 . 1 . . . . 13 ILE CG2 . 11281 1 73 . 1 1 13 13 ILE N N 15 122.110 0.300 . 1 . . . . 13 ILE N . 11281 1 74 . 1 1 14 14 ALA H H 1 9.402 0.030 . 1 . . . . 14 ALA H . 11281 1 75 . 1 1 14 14 ALA HA H 1 4.752 0.030 . 1 . . . . 14 ALA HA . 11281 1 76 . 1 1 14 14 ALA HB1 H 1 1.089 0.030 . 1 . . . . 14 ALA HB . 11281 1 77 . 1 1 14 14 ALA HB2 H 1 1.089 0.030 . 1 . . . . 14 ALA HB . 11281 1 78 . 1 1 14 14 ALA HB3 H 1 1.089 0.030 . 1 . . . . 14 ALA HB . 11281 1 79 . 1 1 14 14 ALA C C 13 175.352 0.300 . 1 . . . . 14 ALA C . 11281 1 80 . 1 1 14 14 ALA CA C 13 50.258 0.300 . 1 . . . . 14 ALA CA . 11281 1 81 . 1 1 14 14 ALA CB C 13 21.435 0.300 . 1 . . . . 14 ALA CB . 11281 1 82 . 1 1 14 14 ALA N N 15 126.518 0.300 . 1 . . . . 14 ALA N . 11281 1 83 . 1 1 15 15 ARG H H 1 8.567 0.030 . 1 . . . . 15 ARG H . 11281 1 84 . 1 1 15 15 ARG HA H 1 4.713 0.030 . 1 . . . . 15 ARG HA . 11281 1 85 . 1 1 15 15 ARG HB2 H 1 1.696 0.030 . 2 . . . . 15 ARG HB2 . 11281 1 86 . 1 1 15 15 ARG HB3 H 1 1.858 0.030 . 2 . . . . 15 ARG HB3 . 11281 1 87 . 1 1 15 15 ARG HD2 H 1 3.191 0.030 . 1 . . . . 15 ARG HD2 . 11281 1 88 . 1 1 15 15 ARG HD3 H 1 3.191 0.030 . 1 . . . . 15 ARG HD3 . 11281 1 89 . 1 1 15 15 ARG HG2 H 1 1.350 0.030 . 2 . . . . 15 ARG HG2 . 11281 1 90 . 1 1 15 15 ARG HG3 H 1 1.452 0.030 . 2 . . . . 15 ARG HG3 . 11281 1 91 . 1 1 15 15 ARG C C 13 174.653 0.300 . 1 . . . . 15 ARG C . 11281 1 92 . 1 1 15 15 ARG CA C 13 55.819 0.300 . 1 . . . . 15 ARG CA . 11281 1 93 . 1 1 15 15 ARG CB C 13 30.609 0.300 . 1 . . . . 15 ARG CB . 11281 1 94 . 1 1 15 15 ARG CD C 13 43.440 0.300 . 1 . . . . 15 ARG CD . 11281 1 95 . 1 1 15 15 ARG CG C 13 27.822 0.300 . 1 . . . . 15 ARG CG . 11281 1 96 . 1 1 15 15 ARG N N 15 125.394 0.300 . 1 . . . . 15 ARG N . 11281 1 97 . 1 1 16 16 ILE H H 1 8.695 0.030 . 1 . . . . 16 ILE H . 11281 1 98 . 1 1 16 16 ILE HA H 1 4.818 0.030 . 1 . . . . 16 ILE HA . 11281 1 99 . 1 1 16 16 ILE HB H 1 1.838 0.030 . 1 . . . . 16 ILE HB . 11281 1 100 . 1 1 16 16 ILE HD11 H 1 0.544 0.030 . 1 . . . . 16 ILE HD1 . 11281 1 101 . 1 1 16 16 ILE HD12 H 1 0.544 0.030 . 1 . . . . 16 ILE HD1 . 11281 1 102 . 1 1 16 16 ILE HD13 H 1 0.544 0.030 . 1 . . . . 16 ILE HD1 . 11281 1 103 . 1 1 16 16 ILE HG12 H 1 1.251 0.030 . 1 . . . . 16 ILE HG12 . 11281 1 104 . 1 1 16 16 ILE HG13 H 1 1.251 0.030 . 1 . . . . 16 ILE HG13 . 11281 1 105 . 1 1 16 16 ILE HG21 H 1 -0.148 0.030 . 1 . . . . 16 ILE HG2 . 11281 1 106 . 1 1 16 16 ILE HG22 H 1 -0.148 0.030 . 1 . . . . 16 ILE HG2 . 11281 1 107 . 1 1 16 16 ILE HG23 H 1 -0.148 0.030 . 1 . . . . 16 ILE HG2 . 11281 1 108 . 1 1 16 16 ILE C C 13 173.855 0.300 . 1 . . . . 16 ILE C . 11281 1 109 . 1 1 16 16 ILE CA C 13 58.781 0.300 . 1 . . . . 16 ILE CA . 11281 1 110 . 1 1 16 16 ILE CB C 13 39.122 0.300 . 1 . . . . 16 ILE CB . 11281 1 111 . 1 1 16 16 ILE CD1 C 13 12.210 0.300 . 1 . . . . 16 ILE CD1 . 11281 1 112 . 1 1 16 16 ILE CG1 C 13 27.158 0.300 . 1 . . . . 16 ILE CG1 . 11281 1 113 . 1 1 16 16 ILE CG2 C 13 16.778 0.300 . 1 . . . . 16 ILE CG2 . 11281 1 114 . 1 1 16 16 ILE N N 15 127.328 0.300 . 1 . . . . 16 ILE N . 11281 1 115 . 1 1 17 17 GLN H H 1 8.513 0.030 . 1 . . . . 17 GLN H . 11281 1 116 . 1 1 17 17 GLN HA H 1 4.853 0.030 . 1 . . . . 17 GLN HA . 11281 1 117 . 1 1 17 17 GLN HB2 H 1 1.907 0.030 . 2 . . . . 17 GLN HB2 . 11281 1 118 . 1 1 17 17 GLN HB3 H 1 2.121 0.030 . 2 . . . . 17 GLN HB3 . 11281 1 119 . 1 1 17 17 GLN HE21 H 1 6.918 0.030 . 2 . . . . 17 GLN HE21 . 11281 1 120 . 1 1 17 17 GLN HE22 H 1 7.298 0.030 . 2 . . . . 17 GLN HE22 . 11281 1 121 . 1 1 17 17 GLN HG2 H 1 1.841 0.030 . 2 . . . . 17 GLN HG2 . 11281 1 122 . 1 1 17 17 GLN HG3 H 1 2.198 0.030 . 2 . . . . 17 GLN HG3 . 11281 1 123 . 1 1 17 17 GLN C C 13 173.641 0.300 . 1 . . . . 17 GLN C . 11281 1 124 . 1 1 17 17 GLN CA C 13 54.244 0.300 . 1 . . . . 17 GLN CA . 11281 1 125 . 1 1 17 17 GLN CB C 13 30.743 0.300 . 1 . . . . 17 GLN CB . 11281 1 126 . 1 1 17 17 GLN CG C 13 34.466 0.300 . 1 . . . . 17 GLN CG . 11281 1 127 . 1 1 17 17 GLN N N 15 127.473 0.300 . 1 . . . . 17 GLN N . 11281 1 128 . 1 1 17 17 GLN NE2 N 15 111.875 0.300 . 1 . . . . 17 GLN NE2 . 11281 1 129 . 1 1 18 18 PHE H H 1 9.515 0.030 . 1 . . . . 18 PHE H . 11281 1 130 . 1 1 18 18 PHE HA H 1 4.715 0.030 . 1 . . . . 18 PHE HA . 11281 1 131 . 1 1 18 18 PHE HB2 H 1 1.623 0.030 . 2 . . . . 18 PHE HB2 . 11281 1 132 . 1 1 18 18 PHE HB3 H 1 1.786 0.030 . 2 . . . . 18 PHE HB3 . 11281 1 133 . 1 1 18 18 PHE HD1 H 1 6.973 0.030 . 1 . . . . 18 PHE HD1 . 11281 1 134 . 1 1 18 18 PHE HD2 H 1 6.973 0.030 . 1 . . . . 18 PHE HD2 . 11281 1 135 . 1 1 18 18 PHE HE1 H 1 7.201 0.030 . 1 . . . . 18 PHE HE1 . 11281 1 136 . 1 1 18 18 PHE HE2 H 1 7.201 0.030 . 1 . . . . 18 PHE HE2 . 11281 1 137 . 1 1 18 18 PHE HZ H 1 7.359 0.030 . 1 . . . . 18 PHE HZ . 11281 1 138 . 1 1 18 18 PHE C C 13 174.591 0.300 . 1 . . . . 18 PHE C . 11281 1 139 . 1 1 18 18 PHE CA C 13 56.233 0.300 . 1 . . . . 18 PHE CA . 11281 1 140 . 1 1 18 18 PHE CB C 13 39.407 0.300 . 1 . . . . 18 PHE CB . 11281 1 141 . 1 1 18 18 PHE CD1 C 13 133.561 0.300 . 1 . . . . 18 PHE CD1 . 11281 1 142 . 1 1 18 18 PHE CD2 C 13 133.561 0.300 . 1 . . . . 18 PHE CD2 . 11281 1 143 . 1 1 18 18 PHE CE1 C 13 129.955 0.300 . 1 . . . . 18 PHE CE1 . 11281 1 144 . 1 1 18 18 PHE CE2 C 13 129.955 0.300 . 1 . . . . 18 PHE CE2 . 11281 1 145 . 1 1 18 18 PHE CZ C 13 128.631 0.300 . 1 . . . . 18 PHE CZ . 11281 1 146 . 1 1 18 18 PHE N N 15 126.737 0.300 . 1 . . . . 18 PHE N . 11281 1 147 . 1 1 19 19 ARG H H 1 9.026 0.030 . 1 . . . . 19 ARG H . 11281 1 148 . 1 1 19 19 ARG HA H 1 4.601 0.030 . 1 . . . . 19 ARG HA . 11281 1 149 . 1 1 19 19 ARG HB2 H 1 1.710 0.030 . 2 . . . . 19 ARG HB2 . 11281 1 150 . 1 1 19 19 ARG HB3 H 1 1.908 0.030 . 2 . . . . 19 ARG HB3 . 11281 1 151 . 1 1 19 19 ARG HD2 H 1 3.049 0.030 . 2 . . . . 19 ARG HD2 . 11281 1 152 . 1 1 19 19 ARG HD3 H 1 3.091 0.030 . 2 . . . . 19 ARG HD3 . 11281 1 153 . 1 1 19 19 ARG HG2 H 1 1.467 0.030 . 2 . . . . 19 ARG HG2 . 11281 1 154 . 1 1 19 19 ARG HG3 H 1 1.570 0.030 . 2 . . . . 19 ARG HG3 . 11281 1 155 . 1 1 19 19 ARG C C 13 175.532 0.300 . 1 . . . . 19 ARG C . 11281 1 156 . 1 1 19 19 ARG CA C 13 55.199 0.300 . 1 . . . . 19 ARG CA . 11281 1 157 . 1 1 19 19 ARG CB C 13 31.205 0.300 . 1 . . . . 19 ARG CB . 11281 1 158 . 1 1 19 19 ARG CD C 13 43.185 0.300 . 1 . . . . 19 ARG CD . 11281 1 159 . 1 1 19 19 ARG CG C 13 27.407 0.300 . 1 . . . . 19 ARG CG . 11281 1 160 . 1 1 19 19 ARG N N 15 121.616 0.300 . 1 . . . . 19 ARG N . 11281 1 161 . 1 1 20 20 LEU H H 1 8.607 0.030 . 1 . . . . 20 LEU H . 11281 1 162 . 1 1 20 20 LEU HA H 1 4.631 0.030 . 1 . . . . 20 LEU HA . 11281 1 163 . 1 1 20 20 LEU HB2 H 1 1.443 0.030 . 2 . . . . 20 LEU HB2 . 11281 1 164 . 1 1 20 20 LEU HB3 H 1 1.985 0.030 . 2 . . . . 20 LEU HB3 . 11281 1 165 . 1 1 20 20 LEU HD11 H 1 1.006 0.030 . 1 . . . . 20 LEU HD1 . 11281 1 166 . 1 1 20 20 LEU HD12 H 1 1.006 0.030 . 1 . . . . 20 LEU HD1 . 11281 1 167 . 1 1 20 20 LEU HD13 H 1 1.006 0.030 . 1 . . . . 20 LEU HD1 . 11281 1 168 . 1 1 20 20 LEU HD21 H 1 0.817 0.030 . 1 . . . . 20 LEU HD2 . 11281 1 169 . 1 1 20 20 LEU HD22 H 1 0.817 0.030 . 1 . . . . 20 LEU HD2 . 11281 1 170 . 1 1 20 20 LEU HD23 H 1 0.817 0.030 . 1 . . . . 20 LEU HD2 . 11281 1 171 . 1 1 20 20 LEU HG H 1 1.656 0.030 . 1 . . . . 20 LEU HG . 11281 1 172 . 1 1 20 20 LEU C C 13 178.077 0.300 . 1 . . . . 20 LEU C . 11281 1 173 . 1 1 20 20 LEU CA C 13 53.292 0.300 . 1 . . . . 20 LEU CA . 11281 1 174 . 1 1 20 20 LEU CB C 13 40.814 0.300 . 1 . . . . 20 LEU CB . 11281 1 175 . 1 1 20 20 LEU CD1 C 13 24.569 0.300 . 2 . . . . 20 LEU CD1 . 11281 1 176 . 1 1 20 20 LEU CD2 C 13 24.569 0.300 . 2 . . . . 20 LEU CD2 . 11281 1 177 . 1 1 20 20 LEU CG C 13 28.045 0.300 . 1 . . . . 20 LEU CG . 11281 1 178 . 1 1 20 20 LEU N N 15 124.714 0.300 . 1 . . . . 20 LEU N . 11281 1 179 . 1 1 21 21 PRO HA H 1 4.352 0.030 . 1 . . . . 21 PRO HA . 11281 1 180 . 1 1 21 21 PRO HB2 H 1 1.966 0.030 . 2 . . . . 21 PRO HB2 . 11281 1 181 . 1 1 21 21 PRO HB3 H 1 2.433 0.030 . 2 . . . . 21 PRO HB3 . 11281 1 182 . 1 1 21 21 PRO HD2 H 1 3.498 0.030 . 2 . . . . 21 PRO HD2 . 11281 1 183 . 1 1 21 21 PRO HD3 H 1 3.236 0.030 . 2 . . . . 21 PRO HD3 . 11281 1 184 . 1 1 21 21 PRO HG2 H 1 1.709 0.030 . 2 . . . . 21 PRO HG2 . 11281 1 185 . 1 1 21 21 PRO HG3 H 1 1.871 0.030 . 2 . . . . 21 PRO HG3 . 11281 1 186 . 1 1 21 21 PRO C C 13 176.488 0.300 . 1 . . . . 21 PRO C . 11281 1 187 . 1 1 21 21 PRO CA C 13 65.232 0.300 . 1 . . . . 21 PRO CA . 11281 1 188 . 1 1 21 21 PRO CB C 13 32.018 0.300 . 1 . . . . 21 PRO CB . 11281 1 189 . 1 1 21 21 PRO CD C 13 50.634 0.300 . 1 . . . . 21 PRO CD . 11281 1 190 . 1 1 21 21 PRO CG C 13 27.573 0.300 . 1 . . . . 21 PRO CG . 11281 1 191 . 1 1 22 22 ASP H H 1 7.414 0.030 . 1 . . . . 22 ASP H . 11281 1 192 . 1 1 22 22 ASP HA H 1 4.594 0.030 . 1 . . . . 22 ASP HA . 11281 1 193 . 1 1 22 22 ASP HB2 H 1 2.702 0.030 . 2 . . . . 22 ASP HB2 . 11281 1 194 . 1 1 22 22 ASP HB3 H 1 3.144 0.030 . 2 . . . . 22 ASP HB3 . 11281 1 195 . 1 1 22 22 ASP C C 13 177.111 0.300 . 1 . . . . 22 ASP C . 11281 1 196 . 1 1 22 22 ASP CA C 13 53.302 0.300 . 1 . . . . 22 ASP CA . 11281 1 197 . 1 1 22 22 ASP CB C 13 39.909 0.300 . 1 . . . . 22 ASP CB . 11281 1 198 . 1 1 22 22 ASP N N 15 113.291 0.300 . 1 . . . . 22 ASP N . 11281 1 199 . 1 1 23 23 GLY H H 1 8.217 0.030 . 1 . . . . 23 GLY H . 11281 1 200 . 1 1 23 23 GLY HA2 H 1 4.416 0.030 . 2 . . . . 23 GLY HA2 . 11281 1 201 . 1 1 23 23 GLY HA3 H 1 3.719 0.030 . 2 . . . . 23 GLY HA3 . 11281 1 202 . 1 1 23 23 GLY C C 13 174.619 0.300 . 1 . . . . 23 GLY C . 11281 1 203 . 1 1 23 23 GLY CA C 13 45.204 0.300 . 1 . . . . 23 GLY CA . 11281 1 204 . 1 1 23 23 GLY N N 15 108.607 0.300 . 1 . . . . 23 GLY N . 11281 1 205 . 1 1 24 24 SER H H 1 8.264 0.030 . 1 . . . . 24 SER H . 11281 1 206 . 1 1 24 24 SER HA H 1 4.610 0.030 . 1 . . . . 24 SER HA . 11281 1 207 . 1 1 24 24 SER HB2 H 1 3.967 0.030 . 2 . . . . 24 SER HB2 . 11281 1 208 . 1 1 24 24 SER HB3 H 1 4.166 0.030 . 2 . . . . 24 SER HB3 . 11281 1 209 . 1 1 24 24 SER C C 13 172.525 0.300 . 1 . . . . 24 SER C . 11281 1 210 . 1 1 24 24 SER CA C 13 58.860 0.300 . 1 . . . . 24 SER CA . 11281 1 211 . 1 1 24 24 SER CB C 13 64.564 0.300 . 1 . . . . 24 SER CB . 11281 1 212 . 1 1 24 24 SER N N 15 118.739 0.300 . 1 . . . . 24 SER N . 11281 1 213 . 1 1 25 25 SER H H 1 8.493 0.030 . 1 . . . . 25 SER H . 11281 1 214 . 1 1 25 25 SER HA H 1 5.681 0.030 . 1 . . . . 25 SER HA . 11281 1 215 . 1 1 25 25 SER HB2 H 1 3.698 0.030 . 2 . . . . 25 SER HB2 . 11281 1 216 . 1 1 25 25 SER HB3 H 1 3.834 0.030 . 2 . . . . 25 SER HB3 . 11281 1 217 . 1 1 25 25 SER C C 13 173.426 0.300 . 1 . . . . 25 SER C . 11281 1 218 . 1 1 25 25 SER CA C 13 57.575 0.300 . 1 . . . . 25 SER CA . 11281 1 219 . 1 1 25 25 SER CB C 13 67.451 0.300 . 1 . . . . 25 SER CB . 11281 1 220 . 1 1 25 25 SER N N 15 111.125 0.300 . 1 . . . . 25 SER N . 11281 1 221 . 1 1 26 26 PHE H H 1 8.291 0.030 . 1 . . . . 26 PHE H . 11281 1 222 . 1 1 26 26 PHE HA H 1 5.195 0.030 . 1 . . . . 26 PHE HA . 11281 1 223 . 1 1 26 26 PHE HB2 H 1 3.367 0.030 . 1 . . . . 26 PHE HB2 . 11281 1 224 . 1 1 26 26 PHE HB3 H 1 3.367 0.030 . 1 . . . . 26 PHE HB3 . 11281 1 225 . 1 1 26 26 PHE HD1 H 1 7.136 0.030 . 1 . . . . 26 PHE HD1 . 11281 1 226 . 1 1 26 26 PHE HD2 H 1 7.136 0.030 . 1 . . . . 26 PHE HD2 . 11281 1 227 . 1 1 26 26 PHE HE1 H 1 6.700 0.030 . 1 . . . . 26 PHE HE1 . 11281 1 228 . 1 1 26 26 PHE HE2 H 1 6.700 0.030 . 1 . . . . 26 PHE HE2 . 11281 1 229 . 1 1 26 26 PHE HZ H 1 6.504 0.030 . 1 . . . . 26 PHE HZ . 11281 1 230 . 1 1 26 26 PHE C C 13 173.821 0.300 . 1 . . . . 26 PHE C . 11281 1 231 . 1 1 26 26 PHE CA C 13 56.483 0.300 . 1 . . . . 26 PHE CA . 11281 1 232 . 1 1 26 26 PHE CB C 13 40.939 0.300 . 1 . . . . 26 PHE CB . 11281 1 233 . 1 1 26 26 PHE CD1 C 13 132.812 0.300 . 1 . . . . 26 PHE CD1 . 11281 1 234 . 1 1 26 26 PHE CD2 C 13 132.812 0.300 . 1 . . . . 26 PHE CD2 . 11281 1 235 . 1 1 26 26 PHE CE1 C 13 130.858 0.300 . 1 . . . . 26 PHE CE1 . 11281 1 236 . 1 1 26 26 PHE CE2 C 13 130.858 0.300 . 1 . . . . 26 PHE CE2 . 11281 1 237 . 1 1 26 26 PHE CZ C 13 127.323 0.300 . 1 . . . . 26 PHE CZ . 11281 1 238 . 1 1 26 26 PHE N N 15 115.486 0.300 . 1 . . . . 26 PHE N . 11281 1 239 . 1 1 27 27 THR H H 1 9.125 0.030 . 1 . . . . 27 THR H . 11281 1 240 . 1 1 27 27 THR HA H 1 5.938 0.030 . 1 . . . . 27 THR HA . 11281 1 241 . 1 1 27 27 THR HB H 1 3.983 0.030 . 1 . . . . 27 THR HB . 11281 1 242 . 1 1 27 27 THR HG21 H 1 1.091 0.030 . 1 . . . . 27 THR HG2 . 11281 1 243 . 1 1 27 27 THR HG22 H 1 1.091 0.030 . 1 . . . . 27 THR HG2 . 11281 1 244 . 1 1 27 27 THR HG23 H 1 1.091 0.030 . 1 . . . . 27 THR HG2 . 11281 1 245 . 1 1 27 27 THR C C 13 173.810 0.300 . 1 . . . . 27 THR C . 11281 1 246 . 1 1 27 27 THR CA C 13 61.073 0.300 . 1 . . . . 27 THR CA . 11281 1 247 . 1 1 27 27 THR CB C 13 72.033 0.300 . 1 . . . . 27 THR CB . 11281 1 248 . 1 1 27 27 THR CG2 C 13 21.013 0.300 . 1 . . . . 27 THR CG2 . 11281 1 249 . 1 1 27 27 THR N N 15 116.269 0.300 . 1 . . . . 27 THR N . 11281 1 250 . 1 1 28 28 ASN H H 1 8.842 0.030 . 1 . . . . 28 ASN H . 11281 1 251 . 1 1 28 28 ASN HA H 1 4.827 0.030 . 1 . . . . 28 ASN HA . 11281 1 252 . 1 1 28 28 ASN HB2 H 1 1.804 0.030 . 2 . . . . 28 ASN HB2 . 11281 1 253 . 1 1 28 28 ASN HB3 H 1 2.367 0.030 . 2 . . . . 28 ASN HB3 . 11281 1 254 . 1 1 28 28 ASN HD21 H 1 6.487 0.030 . 2 . . . . 28 ASN HD21 . 11281 1 255 . 1 1 28 28 ASN HD22 H 1 3.810 0.030 . 2 . . . . 28 ASN HD22 . 11281 1 256 . 1 1 28 28 ASN C C 13 171.936 0.300 . 1 . . . . 28 ASN C . 11281 1 257 . 1 1 28 28 ASN CA C 13 52.266 0.300 . 1 . . . . 28 ASN CA . 11281 1 258 . 1 1 28 28 ASN CB C 13 43.124 0.300 . 1 . . . . 28 ASN CB . 11281 1 259 . 1 1 28 28 ASN N N 15 119.903 0.300 . 1 . . . . 28 ASN N . 11281 1 260 . 1 1 28 28 ASN ND2 N 15 112.981 0.300 . 1 . . . . 28 ASN ND2 . 11281 1 261 . 1 1 29 29 GLN H H 1 7.546 0.030 . 1 . . . . 29 GLN H . 11281 1 262 . 1 1 29 29 GLN HA H 1 5.158 0.030 . 1 . . . . 29 GLN HA . 11281 1 263 . 1 1 29 29 GLN HB2 H 1 1.786 0.030 . 1 . . . . 29 GLN HB2 . 11281 1 264 . 1 1 29 29 GLN HB3 H 1 1.786 0.030 . 1 . . . . 29 GLN HB3 . 11281 1 265 . 1 1 29 29 GLN HE21 H 1 7.552 0.030 . 2 . . . . 29 GLN HE21 . 11281 1 266 . 1 1 29 29 GLN HE22 H 1 6.865 0.030 . 2 . . . . 29 GLN HE22 . 11281 1 267 . 1 1 29 29 GLN HG2 H 1 2.151 0.030 . 2 . . . . 29 GLN HG2 . 11281 1 268 . 1 1 29 29 GLN HG3 H 1 2.018 0.030 . 2 . . . . 29 GLN HG3 . 11281 1 269 . 1 1 29 29 GLN C C 13 173.495 0.300 . 1 . . . . 29 GLN C . 11281 1 270 . 1 1 29 29 GLN CA C 13 54.296 0.300 . 1 . . . . 29 GLN CA . 11281 1 271 . 1 1 29 29 GLN CB C 13 30.985 0.300 . 1 . . . . 29 GLN CB . 11281 1 272 . 1 1 29 29 GLN CG C 13 34.383 0.300 . 1 . . . . 29 GLN CG . 11281 1 273 . 1 1 29 29 GLN N N 15 119.836 0.300 . 1 . . . . 29 GLN N . 11281 1 274 . 1 1 29 29 GLN NE2 N 15 111.963 0.300 . 1 . . . . 29 GLN NE2 . 11281 1 275 . 1 1 30 30 PHE H H 1 8.771 0.030 . 1 . . . . 30 PHE H . 11281 1 276 . 1 1 30 30 PHE HA H 1 4.846 0.030 . 1 . . . . 30 PHE HA . 11281 1 277 . 1 1 30 30 PHE HB2 H 1 2.985 0.030 . 2 . . . . 30 PHE HB2 . 11281 1 278 . 1 1 30 30 PHE HB3 H 1 2.364 0.030 . 2 . . . . 30 PHE HB3 . 11281 1 279 . 1 1 30 30 PHE HD1 H 1 7.312 0.030 . 1 . . . . 30 PHE HD1 . 11281 1 280 . 1 1 30 30 PHE HD2 H 1 7.312 0.030 . 1 . . . . 30 PHE HD2 . 11281 1 281 . 1 1 30 30 PHE HE1 H 1 7.330 0.030 . 1 . . . . 30 PHE HE1 . 11281 1 282 . 1 1 30 30 PHE HE2 H 1 7.330 0.030 . 1 . . . . 30 PHE HE2 . 11281 1 283 . 1 1 30 30 PHE HZ H 1 7.277 0.030 . 1 . . . . 30 PHE HZ . 11281 1 284 . 1 1 30 30 PHE C C 13 172.549 0.300 . 1 . . . . 30 PHE C . 11281 1 285 . 1 1 30 30 PHE CA C 13 54.844 0.300 . 1 . . . . 30 PHE CA . 11281 1 286 . 1 1 30 30 PHE CB C 13 42.212 0.300 . 1 . . . . 30 PHE CB . 11281 1 287 . 1 1 30 30 PHE CD1 C 13 133.573 0.300 . 1 . . . . 30 PHE CD1 . 11281 1 288 . 1 1 30 30 PHE CD2 C 13 133.573 0.300 . 1 . . . . 30 PHE CD2 . 11281 1 289 . 1 1 30 30 PHE CE1 C 13 130.600 0.300 . 1 . . . . 30 PHE CE1 . 11281 1 290 . 1 1 30 30 PHE CE2 C 13 130.600 0.300 . 1 . . . . 30 PHE CE2 . 11281 1 291 . 1 1 30 30 PHE CZ C 13 127.545 0.300 . 1 . . . . 30 PHE CZ . 11281 1 292 . 1 1 30 30 PHE N N 15 120.011 0.300 . 1 . . . . 30 PHE N . 11281 1 293 . 1 1 31 31 PRO HA H 1 4.797 0.030 . 1 . . . . 31 PRO HA . 11281 1 294 . 1 1 31 31 PRO HB2 H 1 2.172 0.030 . 2 . . . . 31 PRO HB2 . 11281 1 295 . 1 1 31 31 PRO HB3 H 1 2.538 0.030 . 2 . . . . 31 PRO HB3 . 11281 1 296 . 1 1 31 31 PRO HD2 H 1 3.970 0.030 . 2 . . . . 31 PRO HD2 . 11281 1 297 . 1 1 31 31 PRO HD3 H 1 3.777 0.030 . 2 . . . . 31 PRO HD3 . 11281 1 298 . 1 1 31 31 PRO HG2 H 1 2.353 0.030 . 2 . . . . 31 PRO HG2 . 11281 1 299 . 1 1 31 31 PRO HG3 H 1 2.149 0.030 . 2 . . . . 31 PRO HG3 . 11281 1 300 . 1 1 31 31 PRO C C 13 178.949 0.300 . 1 . . . . 31 PRO C . 11281 1 301 . 1 1 31 31 PRO CA C 13 63.206 0.300 . 1 . . . . 31 PRO CA . 11281 1 302 . 1 1 31 31 PRO CB C 13 31.935 0.300 . 1 . . . . 31 PRO CB . 11281 1 303 . 1 1 31 31 PRO CD C 13 50.389 0.300 . 1 . . . . 31 PRO CD . 11281 1 304 . 1 1 31 31 PRO CG C 13 28.293 0.300 . 1 . . . . 31 PRO CG . 11281 1 305 . 1 1 32 32 SER H H 1 8.651 0.030 . 1 . . . . 32 SER H . 11281 1 306 . 1 1 32 32 SER HA H 1 3.874 0.030 . 1 . . . . 32 SER HA . 11281 1 307 . 1 1 32 32 SER HB2 H 1 3.727 0.030 . 2 . . . . 32 SER HB2 . 11281 1 308 . 1 1 32 32 SER HB3 H 1 3.401 0.030 . 2 . . . . 32 SER HB3 . 11281 1 309 . 1 1 32 32 SER C C 13 172.736 0.300 . 1 . . . . 32 SER C . 11281 1 310 . 1 1 32 32 SER CA C 13 60.683 0.300 . 1 . . . . 32 SER CA . 11281 1 311 . 1 1 32 32 SER CB C 13 62.536 0.300 . 1 . . . . 32 SER CB . 11281 1 312 . 1 1 32 32 SER N N 15 118.426 0.300 . 1 . . . . 32 SER N . 11281 1 313 . 1 1 33 33 ASP H H 1 8.258 0.030 . 1 . . . . 33 ASP H . 11281 1 314 . 1 1 33 33 ASP HA H 1 4.444 0.030 . 1 . . . . 33 ASP HA . 11281 1 315 . 1 1 33 33 ASP HB2 H 1 2.562 0.030 . 2 . . . . 33 ASP HB2 . 11281 1 316 . 1 1 33 33 ASP HB3 H 1 2.909 0.030 . 2 . . . . 33 ASP HB3 . 11281 1 317 . 1 1 33 33 ASP C C 13 175.049 0.300 . 1 . . . . 33 ASP C . 11281 1 318 . 1 1 33 33 ASP CA C 13 52.894 0.300 . 1 . . . . 33 ASP CA . 11281 1 319 . 1 1 33 33 ASP CB C 13 39.647 0.300 . 1 . . . . 33 ASP CB . 11281 1 320 . 1 1 33 33 ASP N N 15 116.298 0.300 . 1 . . . . 33 ASP N . 11281 1 321 . 1 1 34 34 ALA H H 1 7.696 0.030 . 1 . . . . 34 ALA H . 11281 1 322 . 1 1 34 34 ALA HA H 1 4.475 0.030 . 1 . . . . 34 ALA HA . 11281 1 323 . 1 1 34 34 ALA HB1 H 1 1.420 0.030 . 1 . . . . 34 ALA HB . 11281 1 324 . 1 1 34 34 ALA HB2 H 1 1.420 0.030 . 1 . . . . 34 ALA HB . 11281 1 325 . 1 1 34 34 ALA HB3 H 1 1.420 0.030 . 1 . . . . 34 ALA HB . 11281 1 326 . 1 1 34 34 ALA C C 13 174.498 0.300 . 1 . . . . 34 ALA C . 11281 1 327 . 1 1 34 34 ALA CA C 13 50.737 0.300 . 1 . . . . 34 ALA CA . 11281 1 328 . 1 1 34 34 ALA CB C 13 17.687 0.300 . 1 . . . . 34 ALA CB . 11281 1 329 . 1 1 34 34 ALA N N 15 123.829 0.300 . 1 . . . . 34 ALA N . 11281 1 330 . 1 1 35 35 PRO HA H 1 4.831 0.030 . 1 . . . . 35 PRO HA . 11281 1 331 . 1 1 35 35 PRO HB2 H 1 2.130 0.030 . 1 . . . . 35 PRO HB2 . 11281 1 332 . 1 1 35 35 PRO HB3 H 1 2.130 0.030 . 1 . . . . 35 PRO HB3 . 11281 1 333 . 1 1 35 35 PRO HD2 H 1 3.803 0.030 . 2 . . . . 35 PRO HD2 . 11281 1 334 . 1 1 35 35 PRO HD3 H 1 3.837 0.030 . 2 . . . . 35 PRO HD3 . 11281 1 335 . 1 1 35 35 PRO HG2 H 1 2.126 0.030 . 1 . . . . 35 PRO HG2 . 11281 1 336 . 1 1 35 35 PRO HG3 H 1 2.126 0.030 . 1 . . . . 35 PRO HG3 . 11281 1 337 . 1 1 35 35 PRO C C 13 178.409 0.300 . 1 . . . . 35 PRO C . 11281 1 338 . 1 1 35 35 PRO CA C 13 61.377 0.300 . 1 . . . . 35 PRO CA . 11281 1 339 . 1 1 35 35 PRO CB C 13 31.521 0.300 . 1 . . . . 35 PRO CB . 11281 1 340 . 1 1 35 35 PRO CD C 13 49.670 0.300 . 1 . . . . 35 PRO CD . 11281 1 341 . 1 1 35 35 PRO CG C 13 27.797 0.300 . 1 . . . . 35 PRO CG . 11281 1 342 . 1 1 36 36 LEU H H 1 8.379 0.030 . 1 . . . . 36 LEU H . 11281 1 343 . 1 1 36 36 LEU HA H 1 3.758 0.030 . 1 . . . . 36 LEU HA . 11281 1 344 . 1 1 36 36 LEU HB2 H 1 0.958 0.030 . 2 . . . . 36 LEU HB2 . 11281 1 345 . 1 1 36 36 LEU HB3 H 1 1.739 0.030 . 2 . . . . 36 LEU HB3 . 11281 1 346 . 1 1 36 36 LEU HD11 H 1 -0.712 0.030 . 1 . . . . 36 LEU HD1 . 11281 1 347 . 1 1 36 36 LEU HD12 H 1 -0.712 0.030 . 1 . . . . 36 LEU HD1 . 11281 1 348 . 1 1 36 36 LEU HD13 H 1 -0.712 0.030 . 1 . . . . 36 LEU HD1 . 11281 1 349 . 1 1 36 36 LEU HD21 H 1 0.196 0.030 . 1 . . . . 36 LEU HD2 . 11281 1 350 . 1 1 36 36 LEU HD22 H 1 0.196 0.030 . 1 . . . . 36 LEU HD2 . 11281 1 351 . 1 1 36 36 LEU HD23 H 1 0.196 0.030 . 1 . . . . 36 LEU HD2 . 11281 1 352 . 1 1 36 36 LEU HG H 1 1.247 0.030 . 1 . . . . 36 LEU HG . 11281 1 353 . 1 1 36 36 LEU C C 13 178.262 0.300 . 1 . . . . 36 LEU C . 11281 1 354 . 1 1 36 36 LEU CA C 13 57.697 0.300 . 1 . . . . 36 LEU CA . 11281 1 355 . 1 1 36 36 LEU CB C 13 40.139 0.300 . 1 . . . . 36 LEU CB . 11281 1 356 . 1 1 36 36 LEU CD1 C 13 24.002 0.300 . 2 . . . . 36 LEU CD1 . 11281 1 357 . 1 1 36 36 LEU CD2 C 13 22.009 0.300 . 2 . . . . 36 LEU CD2 . 11281 1 358 . 1 1 36 36 LEU CG C 13 25.995 0.300 . 1 . . . . 36 LEU CG . 11281 1 359 . 1 1 36 36 LEU N N 15 123.581 0.300 . 1 . . . . 36 LEU N . 11281 1 360 . 1 1 37 37 GLU H H 1 9.033 0.030 . 1 . . . . 37 GLU H . 11281 1 361 . 1 1 37 37 GLU HA H 1 4.368 0.030 . 1 . . . . 37 GLU HA . 11281 1 362 . 1 1 37 37 GLU HB2 H 1 2.402 0.030 . 2 . . . . 37 GLU HB2 . 11281 1 363 . 1 1 37 37 GLU HB3 H 1 1.702 0.030 . 2 . . . . 37 GLU HB3 . 11281 1 364 . 1 1 37 37 GLU HG2 H 1 2.364 0.030 . 2 . . . . 37 GLU HG2 . 11281 1 365 . 1 1 37 37 GLU HG3 H 1 2.200 0.030 . 2 . . . . 37 GLU HG3 . 11281 1 366 . 1 1 37 37 GLU C C 13 177.466 0.300 . 1 . . . . 37 GLU C . 11281 1 367 . 1 1 37 37 GLU CA C 13 58.692 0.300 . 1 . . . . 37 GLU CA . 11281 1 368 . 1 1 37 37 GLU CB C 13 30.000 0.300 . 1 . . . . 37 GLU CB . 11281 1 369 . 1 1 37 37 GLU CG C 13 34.300 0.300 . 1 . . . . 37 GLU CG . 11281 1 370 . 1 1 37 37 GLU N N 15 119.159 0.300 . 1 . . . . 37 GLU N . 11281 1 371 . 1 1 38 38 GLU H H 1 7.981 0.030 . 1 . . . . 38 GLU H . 11281 1 372 . 1 1 38 38 GLU HA H 1 4.143 0.030 . 1 . . . . 38 GLU HA . 11281 1 373 . 1 1 38 38 GLU HB2 H 1 2.106 0.030 . 2 . . . . 38 GLU HB2 . 11281 1 374 . 1 1 38 38 GLU HB3 H 1 2.170 0.030 . 2 . . . . 38 GLU HB3 . 11281 1 375 . 1 1 38 38 GLU HG2 H 1 2.343 0.030 . 2 . . . . 38 GLU HG2 . 11281 1 376 . 1 1 38 38 GLU HG3 H 1 2.475 0.030 . 2 . . . . 38 GLU HG3 . 11281 1 377 . 1 1 38 38 GLU C C 13 180.157 0.300 . 1 . . . . 38 GLU C . 11281 1 378 . 1 1 38 38 GLU CA C 13 59.861 0.300 . 1 . . . . 38 GLU CA . 11281 1 379 . 1 1 38 38 GLU CB C 13 29.563 0.300 . 1 . . . . 38 GLU CB . 11281 1 380 . 1 1 38 38 GLU CG C 13 36.957 0.300 . 1 . . . . 38 GLU CG . 11281 1 381 . 1 1 38 38 GLU N N 15 118.261 0.300 . 1 . . . . 38 GLU N . 11281 1 382 . 1 1 39 39 ALA H H 1 7.110 0.030 . 1 . . . . 39 ALA H . 11281 1 383 . 1 1 39 39 ALA HA H 1 4.225 0.030 . 1 . . . . 39 ALA HA . 11281 1 384 . 1 1 39 39 ALA HB1 H 1 1.003 0.030 . 1 . . . . 39 ALA HB . 11281 1 385 . 1 1 39 39 ALA HB2 H 1 1.003 0.030 . 1 . . . . 39 ALA HB . 11281 1 386 . 1 1 39 39 ALA HB3 H 1 1.003 0.030 . 1 . . . . 39 ALA HB . 11281 1 387 . 1 1 39 39 ALA C C 13 179.001 0.300 . 1 . . . . 39 ALA C . 11281 1 388 . 1 1 39 39 ALA CA C 13 54.485 0.300 . 1 . . . . 39 ALA CA . 11281 1 389 . 1 1 39 39 ALA CB C 13 16.695 0.300 . 1 . . . . 39 ALA CB . 11281 1 390 . 1 1 39 39 ALA N N 15 121.681 0.300 . 1 . . . . 39 ALA N . 11281 1 391 . 1 1 40 40 ARG H H 1 8.279 0.030 . 1 . . . . 40 ARG H . 11281 1 392 . 1 1 40 40 ARG HA H 1 3.956 0.030 . 1 . . . . 40 ARG HA . 11281 1 393 . 1 1 40 40 ARG HB2 H 1 2.121 0.030 . 2 . . . . 40 ARG HB2 . 11281 1 394 . 1 1 40 40 ARG HB3 H 1 1.751 0.030 . 2 . . . . 40 ARG HB3 . 11281 1 395 . 1 1 40 40 ARG HD2 H 1 2.411 0.030 . 2 . . . . 40 ARG HD2 . 11281 1 396 . 1 1 40 40 ARG HD3 H 1 2.831 0.030 . 2 . . . . 40 ARG HD3 . 11281 1 397 . 1 1 40 40 ARG HE H 1 7.829 0.030 . 1 . . . . 40 ARG HE . 11281 1 398 . 1 1 40 40 ARG HG2 H 1 1.622 0.030 . 2 . . . . 40 ARG HG2 . 11281 1 399 . 1 1 40 40 ARG C C 13 178.210 0.300 . 1 . . . . 40 ARG C . 11281 1 400 . 1 1 40 40 ARG CA C 13 60.799 0.300 . 1 . . . . 40 ARG CA . 11281 1 401 . 1 1 40 40 ARG CB C 13 29.384 0.300 . 1 . . . . 40 ARG CB . 11281 1 402 . 1 1 40 40 ARG CD C 13 41.950 0.300 . 1 . . . . 40 ARG CD . 11281 1 403 . 1 1 40 40 ARG CG C 13 26.635 0.300 . 1 . . . . 40 ARG CG . 11281 1 404 . 1 1 40 40 ARG N N 15 119.764 0.300 . 1 . . . . 40 ARG N . 11281 1 405 . 1 1 40 40 ARG NE N 15 82.318 0.300 . 1 . . . . 40 ARG NE . 11281 1 406 . 1 1 41 41 GLN H H 1 8.868 0.030 . 1 . . . . 41 GLN H . 11281 1 407 . 1 1 41 41 GLN HA H 1 4.036 0.030 . 1 . . . . 41 GLN HA . 11281 1 408 . 1 1 41 41 GLN HB2 H 1 2.208 0.030 . 1 . . . . 41 GLN HB2 . 11281 1 409 . 1 1 41 41 GLN HB3 H 1 2.208 0.030 . 1 . . . . 41 GLN HB3 . 11281 1 410 . 1 1 41 41 GLN HE21 H 1 6.799 0.030 . 2 . . . . 41 GLN HE21 . 11281 1 411 . 1 1 41 41 GLN HE22 H 1 7.881 0.030 . 2 . . . . 41 GLN HE22 . 11281 1 412 . 1 1 41 41 GLN HG2 H 1 2.480 0.030 . 2 . . . . 41 GLN HG2 . 11281 1 413 . 1 1 41 41 GLN HG3 H 1 2.613 0.030 . 2 . . . . 41 GLN HG3 . 11281 1 414 . 1 1 41 41 GLN C C 13 178.498 0.300 . 1 . . . . 41 GLN C . 11281 1 415 . 1 1 41 41 GLN CA C 13 58.959 0.300 . 1 . . . . 41 GLN CA . 11281 1 416 . 1 1 41 41 GLN CB C 13 27.898 0.300 . 1 . . . . 41 GLN CB . 11281 1 417 . 1 1 41 41 GLN CG C 13 33.968 0.300 . 1 . . . . 41 GLN CG . 11281 1 418 . 1 1 41 41 GLN N N 15 118.095 0.300 . 1 . . . . 41 GLN N . 11281 1 419 . 1 1 41 41 GLN NE2 N 15 112.362 0.300 . 1 . . . . 41 GLN NE2 . 11281 1 420 . 1 1 42 42 PHE H H 1 7.975 0.030 . 1 . . . . 42 PHE H . 11281 1 421 . 1 1 42 42 PHE HA H 1 4.312 0.030 . 1 . . . . 42 PHE HA . 11281 1 422 . 1 1 42 42 PHE HB2 H 1 3.780 0.030 . 2 . . . . 42 PHE HB2 . 11281 1 423 . 1 1 42 42 PHE HB3 H 1 3.469 0.030 . 2 . . . . 42 PHE HB3 . 11281 1 424 . 1 1 42 42 PHE HD1 H 1 7.225 0.030 . 1 . . . . 42 PHE HD1 . 11281 1 425 . 1 1 42 42 PHE HD2 H 1 7.225 0.030 . 1 . . . . 42 PHE HD2 . 11281 1 426 . 1 1 42 42 PHE HE1 H 1 7.299 0.030 . 1 . . . . 42 PHE HE1 . 11281 1 427 . 1 1 42 42 PHE HE2 H 1 7.299 0.030 . 1 . . . . 42 PHE HE2 . 11281 1 428 . 1 1 42 42 PHE C C 13 178.662 0.300 . 1 . . . . 42 PHE C . 11281 1 429 . 1 1 42 42 PHE CA C 13 61.799 0.300 . 1 . . . . 42 PHE CA . 11281 1 430 . 1 1 42 42 PHE CB C 13 39.245 0.300 . 1 . . . . 42 PHE CB . 11281 1 431 . 1 1 42 42 PHE CD1 C 13 131.487 0.300 . 1 . . . . 42 PHE CD1 . 11281 1 432 . 1 1 42 42 PHE CD2 C 13 131.487 0.300 . 1 . . . . 42 PHE CD2 . 11281 1 433 . 1 1 42 42 PHE CE1 C 13 132.111 0.300 . 1 . . . . 42 PHE CE1 . 11281 1 434 . 1 1 42 42 PHE CE2 C 13 132.111 0.300 . 1 . . . . 42 PHE CE2 . 11281 1 435 . 1 1 42 42 PHE N N 15 120.715 0.300 . 1 . . . . 42 PHE N . 11281 1 436 . 1 1 43 43 ALA H H 1 8.381 0.030 . 1 . . . . 43 ALA H . 11281 1 437 . 1 1 43 43 ALA HA H 1 3.604 0.030 . 1 . . . . 43 ALA HA . 11281 1 438 . 1 1 43 43 ALA HB1 H 1 1.314 0.030 . 1 . . . . 43 ALA HB . 11281 1 439 . 1 1 43 43 ALA HB2 H 1 1.314 0.030 . 1 . . . . 43 ALA HB . 11281 1 440 . 1 1 43 43 ALA HB3 H 1 1.314 0.030 . 1 . . . . 43 ALA HB . 11281 1 441 . 1 1 43 43 ALA C C 13 178.623 0.300 . 1 . . . . 43 ALA C . 11281 1 442 . 1 1 43 43 ALA CA C 13 55.664 0.300 . 1 . . . . 43 ALA CA . 11281 1 443 . 1 1 43 43 ALA CB C 13 16.924 0.300 . 1 . . . . 43 ALA CB . 11281 1 444 . 1 1 43 43 ALA N N 15 123.888 0.300 . 1 . . . . 43 ALA N . 11281 1 445 . 1 1 44 44 ALA H H 1 8.991 0.030 . 1 . . . . 44 ALA H . 11281 1 446 . 1 1 44 44 ALA HA H 1 4.296 0.030 . 1 . . . . 44 ALA HA . 11281 1 447 . 1 1 44 44 ALA HB1 H 1 1.647 0.030 . 1 . . . . 44 ALA HB . 11281 1 448 . 1 1 44 44 ALA HB2 H 1 1.647 0.030 . 1 . . . . 44 ALA HB . 11281 1 449 . 1 1 44 44 ALA HB3 H 1 1.647 0.030 . 1 . . . . 44 ALA HB . 11281 1 450 . 1 1 44 44 ALA C C 13 180.534 0.300 . 1 . . . . 44 ALA C . 11281 1 451 . 1 1 44 44 ALA CA C 13 55.599 0.300 . 1 . . . . 44 ALA CA . 11281 1 452 . 1 1 44 44 ALA CB C 13 17.828 0.300 . 1 . . . . 44 ALA CB . 11281 1 453 . 1 1 44 44 ALA N N 15 121.103 0.300 . 1 . . . . 44 ALA N . 11281 1 454 . 1 1 45 45 GLN H H 1 8.218 0.030 . 1 . . . . 45 GLN H . 11281 1 455 . 1 1 45 45 GLN HA H 1 3.978 0.030 . 1 . . . . 45 GLN HA . 11281 1 456 . 1 1 45 45 GLN HB2 H 1 1.994 0.030 . 2 . . . . 45 GLN HB2 . 11281 1 457 . 1 1 45 45 GLN HB3 H 1 2.125 0.030 . 2 . . . . 45 GLN HB3 . 11281 1 458 . 1 1 45 45 GLN HE21 H 1 6.855 0.030 . 2 . . . . 45 GLN HE21 . 11281 1 459 . 1 1 45 45 GLN HE22 H 1 7.356 0.030 . 2 . . . . 45 GLN HE22 . 11281 1 460 . 1 1 45 45 GLN HG2 H 1 2.406 0.030 . 1 . . . . 45 GLN HG2 . 11281 1 461 . 1 1 45 45 GLN HG3 H 1 2.406 0.030 . 1 . . . . 45 GLN HG3 . 11281 1 462 . 1 1 45 45 GLN C C 13 177.594 0.300 . 1 . . . . 45 GLN C . 11281 1 463 . 1 1 45 45 GLN CA C 13 58.015 0.300 . 1 . . . . 45 GLN CA . 11281 1 464 . 1 1 45 45 GLN CB C 13 28.131 0.300 . 1 . . . . 45 GLN CB . 11281 1 465 . 1 1 45 45 GLN CG C 13 33.801 0.300 . 1 . . . . 45 GLN CG . 11281 1 466 . 1 1 45 45 GLN N N 15 118.131 0.300 . 1 . . . . 45 GLN N . 11281 1 467 . 1 1 45 45 GLN NE2 N 15 111.540 0.300 . 1 . . . . 45 GLN NE2 . 11281 1 468 . 1 1 46 46 THR H H 1 7.309 0.030 . 1 . . . . 46 THR H . 11281 1 469 . 1 1 46 46 THR HA H 1 3.583 0.030 . 1 . . . . 46 THR HA . 11281 1 470 . 1 1 46 46 THR HB H 1 3.500 0.030 . 1 . . . . 46 THR HB . 11281 1 471 . 1 1 46 46 THR HG21 H 1 0.022 0.030 . 1 . . . . 46 THR HG2 . 11281 1 472 . 1 1 46 46 THR HG22 H 1 0.022 0.030 . 1 . . . . 46 THR HG2 . 11281 1 473 . 1 1 46 46 THR HG23 H 1 0.022 0.030 . 1 . . . . 46 THR HG2 . 11281 1 474 . 1 1 46 46 THR C C 13 175.906 0.300 . 1 . . . . 46 THR C . 11281 1 475 . 1 1 46 46 THR CA C 13 66.404 0.300 . 1 . . . . 46 THR CA . 11281 1 476 . 1 1 46 46 THR CB C 13 68.571 0.300 . 1 . . . . 46 THR CB . 11281 1 477 . 1 1 46 46 THR CG2 C 13 19.603 0.300 . 1 . . . . 46 THR CG2 . 11281 1 478 . 1 1 46 46 THR N N 15 115.708 0.300 . 1 . . . . 46 THR N . 11281 1 479 . 1 1 47 47 VAL H H 1 8.086 0.030 . 1 . . . . 47 VAL H . 11281 1 480 . 1 1 47 47 VAL HA H 1 4.319 0.030 . 1 . . . . 47 VAL HA . 11281 1 481 . 1 1 47 47 VAL HB H 1 2.371 0.030 . 1 . . . . 47 VAL HB . 11281 1 482 . 1 1 47 47 VAL HG11 H 1 0.891 0.030 . 1 . . . . 47 VAL HG1 . 11281 1 483 . 1 1 47 47 VAL HG12 H 1 0.891 0.030 . 1 . . . . 47 VAL HG1 . 11281 1 484 . 1 1 47 47 VAL HG13 H 1 0.891 0.030 . 1 . . . . 47 VAL HG1 . 11281 1 485 . 1 1 47 47 VAL HG21 H 1 0.927 0.030 . 1 . . . . 47 VAL HG2 . 11281 1 486 . 1 1 47 47 VAL HG22 H 1 0.927 0.030 . 1 . . . . 47 VAL HG2 . 11281 1 487 . 1 1 47 47 VAL HG23 H 1 0.927 0.030 . 1 . . . . 47 VAL HG2 . 11281 1 488 . 1 1 47 47 VAL C C 13 177.297 0.300 . 1 . . . . 47 VAL C . 11281 1 489 . 1 1 47 47 VAL CA C 13 61.564 0.300 . 1 . . . . 47 VAL CA . 11281 1 490 . 1 1 47 47 VAL CB C 13 32.763 0.300 . 1 . . . . 47 VAL CB . 11281 1 491 . 1 1 47 47 VAL CG1 C 13 22.009 0.300 . 2 . . . . 47 VAL CG1 . 11281 1 492 . 1 1 47 47 VAL CG2 C 13 18.854 0.300 . 2 . . . . 47 VAL CG2 . 11281 1 493 . 1 1 47 47 VAL N N 15 111.626 0.300 . 1 . . . . 47 VAL N . 11281 1 494 . 1 1 48 48 GLY H H 1 8.018 0.030 . 1 . . . . 48 GLY H . 11281 1 495 . 1 1 48 48 GLY HA2 H 1 3.976 0.030 . 2 . . . . 48 GLY HA2 . 11281 1 496 . 1 1 48 48 GLY HA3 H 1 3.843 0.030 . 2 . . . . 48 GLY HA3 . 11281 1 497 . 1 1 48 48 GLY C C 13 175.150 0.300 . 1 . . . . 48 GLY C . 11281 1 498 . 1 1 48 48 GLY CA C 13 46.794 0.300 . 1 . . . . 48 GLY CA . 11281 1 499 . 1 1 48 48 GLY N N 15 112.191 0.300 . 1 . . . . 48 GLY N . 11281 1 500 . 1 1 49 49 ASN HA H 1 4.957 0.030 . 1 . . . . 49 ASN HA . 11281 1 501 . 1 1 49 49 ASN HB2 H 1 2.812 0.030 . 2 . . . . 49 ASN HB2 . 11281 1 502 . 1 1 49 49 ASN HB3 H 1 2.880 0.030 . 2 . . . . 49 ASN HB3 . 11281 1 503 . 1 1 49 49 ASN HD21 H 1 7.568 0.030 . 2 . . . . 49 ASN HD21 . 11281 1 504 . 1 1 49 49 ASN HD22 H 1 6.867 0.030 . 2 . . . . 49 ASN HD22 . 11281 1 505 . 1 1 49 49 ASN C C 13 177.836 0.300 . 1 . . . . 49 ASN C . 11281 1 506 . 1 1 49 49 ASN CA C 13 53.214 0.300 . 1 . . . . 49 ASN CA . 11281 1 507 . 1 1 49 49 ASN CB C 13 38.706 0.300 . 1 . . . . 49 ASN CB . 11281 1 508 . 1 1 49 49 ASN ND2 N 15 112.004 0.300 . 1 . . . . 49 ASN ND2 . 11281 1 509 . 1 1 50 50 THR H H 1 7.895 0.030 . 1 . . . . 50 THR H . 11281 1 510 . 1 1 50 50 THR HA H 1 3.642 0.030 . 1 . . . . 50 THR HA . 11281 1 511 . 1 1 50 50 THR HB H 1 3.476 0.030 . 1 . . . . 50 THR HB . 11281 1 512 . 1 1 50 50 THR HG21 H 1 0.543 0.030 . 1 . . . . 50 THR HG2 . 11281 1 513 . 1 1 50 50 THR HG22 H 1 0.543 0.030 . 1 . . . . 50 THR HG2 . 11281 1 514 . 1 1 50 50 THR HG23 H 1 0.543 0.030 . 1 . . . . 50 THR HG2 . 11281 1 515 . 1 1 50 50 THR C C 13 174.039 0.300 . 1 . . . . 50 THR C . 11281 1 516 . 1 1 50 50 THR CA C 13 66.334 0.300 . 1 . . . . 50 THR CA . 11281 1 517 . 1 1 50 50 THR CB C 13 70.003 0.300 . 1 . . . . 50 THR CB . 11281 1 518 . 1 1 50 50 THR CG2 C 13 21.013 0.300 . 1 . . . . 50 THR CG2 . 11281 1 519 . 1 1 50 50 THR N N 15 116.425 0.300 . 1 . . . . 50 THR N . 11281 1 520 . 1 1 51 51 TYR H H 1 8.804 0.030 . 1 . . . . 51 TYR H . 11281 1 521 . 1 1 51 51 TYR HA H 1 4.858 0.030 . 1 . . . . 51 TYR HA . 11281 1 522 . 1 1 51 51 TYR HB2 H 1 2.598 0.030 . 2 . . . . 51 TYR HB2 . 11281 1 523 . 1 1 51 51 TYR HB3 H 1 3.263 0.030 . 2 . . . . 51 TYR HB3 . 11281 1 524 . 1 1 51 51 TYR HD1 H 1 6.929 0.030 . 1 . . . . 51 TYR HD1 . 11281 1 525 . 1 1 51 51 TYR HD2 H 1 6.929 0.030 . 1 . . . . 51 TYR HD2 . 11281 1 526 . 1 1 51 51 TYR HE1 H 1 6.754 0.030 . 1 . . . . 51 TYR HE1 . 11281 1 527 . 1 1 51 51 TYR HE2 H 1 6.754 0.030 . 1 . . . . 51 TYR HE2 . 11281 1 528 . 1 1 51 51 TYR C C 13 175.158 0.300 . 1 . . . . 51 TYR C . 11281 1 529 . 1 1 51 51 TYR CA C 13 56.915 0.300 . 1 . . . . 51 TYR CA . 11281 1 530 . 1 1 51 51 TYR CB C 13 39.331 0.300 . 1 . . . . 51 TYR CB . 11281 1 531 . 1 1 51 51 TYR CD1 C 13 132.896 0.300 . 1 . . . . 51 TYR CD1 . 11281 1 532 . 1 1 51 51 TYR CD2 C 13 132.896 0.300 . 1 . . . . 51 TYR CD2 . 11281 1 533 . 1 1 51 51 TYR CE1 C 13 118.074 0.300 . 1 . . . . 51 TYR CE1 . 11281 1 534 . 1 1 51 51 TYR CE2 C 13 118.074 0.300 . 1 . . . . 51 TYR CE2 . 11281 1 535 . 1 1 51 51 TYR N N 15 118.768 0.300 . 1 . . . . 51 TYR N . 11281 1 536 . 1 1 52 52 GLY H H 1 7.590 0.030 . 1 . . . . 52 GLY H . 11281 1 537 . 1 1 52 52 GLY HA2 H 1 3.857 0.030 . 2 . . . . 52 GLY HA2 . 11281 1 538 . 1 1 52 52 GLY HA3 H 1 3.979 0.030 . 2 . . . . 52 GLY HA3 . 11281 1 539 . 1 1 52 52 GLY C C 13 174.627 0.300 . 1 . . . . 52 GLY C . 11281 1 540 . 1 1 52 52 GLY CA C 13 45.674 0.300 . 1 . . . . 52 GLY CA . 11281 1 541 . 1 1 52 52 GLY N N 15 106.703 0.300 . 1 . . . . 52 GLY N . 11281 1 542 . 1 1 53 53 ASN H H 1 8.740 0.030 . 1 . . . . 53 ASN H . 11281 1 543 . 1 1 53 53 ASN HA H 1 4.756 0.030 . 1 . . . . 53 ASN HA . 11281 1 544 . 1 1 53 53 ASN HB2 H 1 2.609 0.030 . 2 . . . . 53 ASN HB2 . 11281 1 545 . 1 1 53 53 ASN HB3 H 1 2.789 0.030 . 2 . . . . 53 ASN HB3 . 11281 1 546 . 1 1 53 53 ASN HD21 H 1 7.500 0.030 . 2 . . . . 53 ASN HD21 . 11281 1 547 . 1 1 53 53 ASN HD22 H 1 6.785 0.030 . 2 . . . . 53 ASN HD22 . 11281 1 548 . 1 1 53 53 ASN C C 13 173.911 0.300 . 1 . . . . 53 ASN C . 11281 1 549 . 1 1 53 53 ASN CA C 13 52.374 0.300 . 1 . . . . 53 ASN CA . 11281 1 550 . 1 1 53 53 ASN CB C 13 36.587 0.300 . 1 . . . . 53 ASN CB . 11281 1 551 . 1 1 53 53 ASN N N 15 122.224 0.300 . 1 . . . . 53 ASN N . 11281 1 552 . 1 1 53 53 ASN ND2 N 15 112.086 0.300 . 1 . . . . 53 ASN ND2 . 11281 1 553 . 1 1 54 54 PHE H H 1 7.326 0.030 . 1 . . . . 54 PHE H . 11281 1 554 . 1 1 54 54 PHE HA H 1 4.848 0.030 . 1 . . . . 54 PHE HA . 11281 1 555 . 1 1 54 54 PHE HB2 H 1 2.820 0.030 . 2 . . . . 54 PHE HB2 . 11281 1 556 . 1 1 54 54 PHE HB3 H 1 3.298 0.030 . 2 . . . . 54 PHE HB3 . 11281 1 557 . 1 1 54 54 PHE HD1 H 1 7.331 0.030 . 1 . . . . 54 PHE HD1 . 11281 1 558 . 1 1 54 54 PHE HD2 H 1 7.331 0.030 . 1 . . . . 54 PHE HD2 . 11281 1 559 . 1 1 54 54 PHE HE1 H 1 7.179 0.030 . 1 . . . . 54 PHE HE1 . 11281 1 560 . 1 1 54 54 PHE HE2 H 1 7.179 0.030 . 1 . . . . 54 PHE HE2 . 11281 1 561 . 1 1 54 54 PHE HZ H 1 7.298 0.030 . 1 . . . . 54 PHE HZ . 11281 1 562 . 1 1 54 54 PHE C C 13 174.287 0.300 . 1 . . . . 54 PHE C . 11281 1 563 . 1 1 54 54 PHE CA C 13 56.773 0.300 . 1 . . . . 54 PHE CA . 11281 1 564 . 1 1 54 54 PHE CB C 13 40.977 0.300 . 1 . . . . 54 PHE CB . 11281 1 565 . 1 1 54 54 PHE CD1 C 13 132.934 0.300 . 1 . . . . 54 PHE CD1 . 11281 1 566 . 1 1 54 54 PHE CD2 C 13 132.934 0.300 . 1 . . . . 54 PHE CD2 . 11281 1 567 . 1 1 54 54 PHE CE1 C 13 130.632 0.300 . 1 . . . . 54 PHE CE1 . 11281 1 568 . 1 1 54 54 PHE CE2 C 13 130.632 0.300 . 1 . . . . 54 PHE CE2 . 11281 1 569 . 1 1 54 54 PHE CZ C 13 129.458 0.300 . 1 . . . . 54 PHE CZ . 11281 1 570 . 1 1 54 54 PHE N N 15 119.477 0.300 . 1 . . . . 54 PHE N . 11281 1 571 . 1 1 55 55 SER H H 1 9.060 0.030 . 1 . . . . 55 SER H . 11281 1 572 . 1 1 55 55 SER HA H 1 4.978 0.030 . 1 . . . . 55 SER HA . 11281 1 573 . 1 1 55 55 SER HB2 H 1 4.013 0.030 . 2 . . . . 55 SER HB2 . 11281 1 574 . 1 1 55 55 SER HB3 H 1 4.108 0.030 . 2 . . . . 55 SER HB3 . 11281 1 575 . 1 1 55 55 SER C C 13 173.268 0.300 . 1 . . . . 55 SER C . 11281 1 576 . 1 1 55 55 SER CA C 13 56.004 0.300 . 1 . . . . 55 SER CA . 11281 1 577 . 1 1 55 55 SER CB C 13 65.549 0.300 . 1 . . . . 55 SER CB . 11281 1 578 . 1 1 55 55 SER N N 15 115.530 0.300 . 1 . . . . 55 SER N . 11281 1 579 . 1 1 56 56 LEU H H 1 8.284 0.030 . 1 . . . . 56 LEU H . 11281 1 580 . 1 1 56 56 LEU HA H 1 5.796 0.030 . 1 . . . . 56 LEU HA . 11281 1 581 . 1 1 56 56 LEU HB2 H 1 2.407 0.030 . 2 . . . . 56 LEU HB2 . 11281 1 582 . 1 1 56 56 LEU HB3 H 1 1.484 0.030 . 2 . . . . 56 LEU HB3 . 11281 1 583 . 1 1 56 56 LEU HD11 H 1 1.115 0.030 . 1 . . . . 56 LEU HD1 . 11281 1 584 . 1 1 56 56 LEU HD12 H 1 1.115 0.030 . 1 . . . . 56 LEU HD1 . 11281 1 585 . 1 1 56 56 LEU HD13 H 1 1.115 0.030 . 1 . . . . 56 LEU HD1 . 11281 1 586 . 1 1 56 56 LEU HD21 H 1 1.178 0.030 . 1 . . . . 56 LEU HD2 . 11281 1 587 . 1 1 56 56 LEU HD22 H 1 1.178 0.030 . 1 . . . . 56 LEU HD2 . 11281 1 588 . 1 1 56 56 LEU HD23 H 1 1.178 0.030 . 1 . . . . 56 LEU HD2 . 11281 1 589 . 1 1 56 56 LEU HG H 1 2.076 0.030 . 1 . . . . 56 LEU HG . 11281 1 590 . 1 1 56 56 LEU C C 13 175.287 0.300 . 1 . . . . 56 LEU C . 11281 1 591 . 1 1 56 56 LEU CA C 13 53.736 0.300 . 1 . . . . 56 LEU CA . 11281 1 592 . 1 1 56 56 LEU CB C 13 46.564 0.300 . 1 . . . . 56 LEU CB . 11281 1 593 . 1 1 56 56 LEU CD1 C 13 25.746 0.300 . 2 . . . . 56 LEU CD1 . 11281 1 594 . 1 1 56 56 LEU CD2 C 13 23.504 0.300 . 2 . . . . 56 LEU CD2 . 11281 1 595 . 1 1 56 56 LEU CG C 13 26.992 0.300 . 1 . . . . 56 LEU CG . 11281 1 596 . 1 1 56 56 LEU N N 15 119.764 0.300 . 1 . . . . 56 LEU N . 11281 1 597 . 1 1 57 57 ALA H H 1 8.642 0.030 . 1 . . . . 57 ALA H . 11281 1 598 . 1 1 57 57 ALA HA H 1 4.933 0.030 . 1 . . . . 57 ALA HA . 11281 1 599 . 1 1 57 57 ALA HB1 H 1 1.130 0.030 . 1 . . . . 57 ALA HB . 11281 1 600 . 1 1 57 57 ALA HB2 H 1 1.130 0.030 . 1 . . . . 57 ALA HB . 11281 1 601 . 1 1 57 57 ALA HB3 H 1 1.130 0.030 . 1 . . . . 57 ALA HB . 11281 1 602 . 1 1 57 57 ALA C C 13 176.996 0.300 . 1 . . . . 57 ALA C . 11281 1 603 . 1 1 57 57 ALA CA C 13 50.793 0.300 . 1 . . . . 57 ALA CA . 11281 1 604 . 1 1 57 57 ALA CB C 13 23.887 0.300 . 1 . . . . 57 ALA CB . 11281 1 605 . 1 1 57 57 ALA N N 15 121.933 0.300 . 1 . . . . 57 ALA N . 11281 1 606 . 1 1 58 58 THR H H 1 8.219 0.030 . 1 . . . . 58 THR H . 11281 1 607 . 1 1 58 58 THR HA H 1 4.539 0.030 . 1 . . . . 58 THR HA . 11281 1 608 . 1 1 58 58 THR HB H 1 4.406 0.030 . 1 . . . . 58 THR HB . 11281 1 609 . 1 1 58 58 THR HG21 H 1 1.235 0.030 . 1 . . . . 58 THR HG2 . 11281 1 610 . 1 1 58 58 THR HG22 H 1 1.235 0.030 . 1 . . . . 58 THR HG2 . 11281 1 611 . 1 1 58 58 THR HG23 H 1 1.235 0.030 . 1 . . . . 58 THR HG2 . 11281 1 612 . 1 1 58 58 THR C C 13 174.324 0.300 . 1 . . . . 58 THR C . 11281 1 613 . 1 1 58 58 THR CA C 13 61.493 0.300 . 1 . . . . 58 THR CA . 11281 1 614 . 1 1 58 58 THR CB C 13 70.212 0.300 . 1 . . . . 58 THR CB . 11281 1 615 . 1 1 58 58 THR CG2 C 13 22.903 0.300 . 1 . . . . 58 THR CG2 . 11281 1 616 . 1 1 58 58 THR N N 15 110.040 0.300 . 1 . . . . 58 THR N . 11281 1 617 . 1 1 59 59 MET H H 1 8.265 0.030 . 1 . . . . 59 MET H . 11281 1 618 . 1 1 59 59 MET HA H 1 4.163 0.030 . 1 . . . . 59 MET HA . 11281 1 619 . 1 1 59 59 MET HB2 H 1 1.636 0.030 . 2 . . . . 59 MET HB2 . 11281 1 620 . 1 1 59 59 MET HB3 H 1 1.779 0.030 . 2 . . . . 59 MET HB3 . 11281 1 621 . 1 1 59 59 MET HE1 H 1 1.905 0.030 . 1 . . . . 59 MET HE . 11281 1 622 . 1 1 59 59 MET HE2 H 1 1.905 0.030 . 1 . . . . 59 MET HE . 11281 1 623 . 1 1 59 59 MET HE3 H 1 1.905 0.030 . 1 . . . . 59 MET HE . 11281 1 624 . 1 1 59 59 MET HG2 H 1 2.180 0.030 . 2 . . . . 59 MET HG2 . 11281 1 625 . 1 1 59 59 MET HG3 H 1 2.312 0.030 . 2 . . . . 59 MET HG3 . 11281 1 626 . 1 1 59 59 MET C C 13 175.945 0.300 . 1 . . . . 59 MET C . 11281 1 627 . 1 1 59 59 MET CA C 13 56.838 0.300 . 1 . . . . 59 MET CA . 11281 1 628 . 1 1 59 59 MET CB C 13 33.662 0.300 . 1 . . . . 59 MET CB . 11281 1 629 . 1 1 59 59 MET CE C 13 17.177 0.300 . 1 . . . . 59 MET CE . 11281 1 630 . 1 1 59 59 MET CG C 13 32.437 0.300 . 1 . . . . 59 MET CG . 11281 1 631 . 1 1 59 59 MET N N 15 118.511 0.300 . 1 . . . . 59 MET N . 11281 1 632 . 1 1 60 60 PHE H H 1 7.837 0.030 . 1 . . . . 60 PHE H . 11281 1 633 . 1 1 60 60 PHE HA H 1 4.530 0.030 . 1 . . . . 60 PHE HA . 11281 1 634 . 1 1 60 60 PHE HB2 H 1 2.923 0.030 . 2 . . . . 60 PHE HB2 . 11281 1 635 . 1 1 60 60 PHE HB3 H 1 3.042 0.030 . 2 . . . . 60 PHE HB3 . 11281 1 636 . 1 1 60 60 PHE HD1 H 1 7.253 0.030 . 1 . . . . 60 PHE HD1 . 11281 1 637 . 1 1 60 60 PHE HD2 H 1 7.253 0.030 . 1 . . . . 60 PHE HD2 . 11281 1 638 . 1 1 60 60 PHE HE1 H 1 7.267 0.030 . 1 . . . . 60 PHE HE1 . 11281 1 639 . 1 1 60 60 PHE HE2 H 1 7.267 0.030 . 1 . . . . 60 PHE HE2 . 11281 1 640 . 1 1 60 60 PHE HZ H 1 7.339 0.030 . 1 . . . . 60 PHE HZ . 11281 1 641 . 1 1 60 60 PHE C C 13 173.620 0.300 . 1 . . . . 60 PHE C . 11281 1 642 . 1 1 60 60 PHE CA C 13 56.044 0.300 . 1 . . . . 60 PHE CA . 11281 1 643 . 1 1 60 60 PHE CB C 13 40.897 0.300 . 1 . . . . 60 PHE CB . 11281 1 644 . 1 1 60 60 PHE CD1 C 13 132.038 0.300 . 1 . . . . 60 PHE CD1 . 11281 1 645 . 1 1 60 60 PHE CD2 C 13 132.038 0.300 . 1 . . . . 60 PHE CD2 . 11281 1 646 . 1 1 60 60 PHE CE1 C 13 129.861 0.300 . 1 . . . . 60 PHE CE1 . 11281 1 647 . 1 1 60 60 PHE CE2 C 13 129.861 0.300 . 1 . . . . 60 PHE CE2 . 11281 1 648 . 1 1 60 60 PHE N N 15 116.364 0.300 . 1 . . . . 60 PHE N . 11281 1 649 . 1 1 61 61 PRO HA H 1 4.179 0.030 . 1 . . . . 61 PRO HA . 11281 1 650 . 1 1 61 61 PRO HB2 H 1 1.733 0.030 . 2 . . . . 61 PRO HB2 . 11281 1 651 . 1 1 61 61 PRO HB3 H 1 2.094 0.030 . 2 . . . . 61 PRO HB3 . 11281 1 652 . 1 1 61 61 PRO HD2 H 1 3.317 0.030 . 2 . . . . 61 PRO HD2 . 11281 1 653 . 1 1 61 61 PRO HD3 H 1 3.424 0.030 . 2 . . . . 61 PRO HD3 . 11281 1 654 . 1 1 61 61 PRO HG2 H 1 1.632 0.030 . 1 . . . . 61 PRO HG2 . 11281 1 655 . 1 1 61 61 PRO HG3 H 1 1.632 0.030 . 1 . . . . 61 PRO HG3 . 11281 1 656 . 1 1 61 61 PRO C C 13 175.371 0.300 . 1 . . . . 61 PRO C . 11281 1 657 . 1 1 61 61 PRO CA C 13 62.924 0.300 . 1 . . . . 61 PRO CA . 11281 1 658 . 1 1 61 61 PRO CB C 13 34.004 0.300 . 1 . . . . 61 PRO CB . 11281 1 659 . 1 1 61 61 PRO CD C 13 49.900 0.300 . 1 . . . . 61 PRO CD . 11281 1 660 . 1 1 61 61 PRO CG C 13 24.920 0.300 . 1 . . . . 61 PRO CG . 11281 1 661 . 1 1 62 62 ARG H H 1 8.576 0.030 . 1 . . . . 62 ARG H . 11281 1 662 . 1 1 62 62 ARG HA H 1 4.261 0.030 . 1 . . . . 62 ARG HA . 11281 1 663 . 1 1 62 62 ARG HB2 H 1 1.670 0.030 . 2 . . . . 62 ARG HB2 . 11281 1 664 . 1 1 62 62 ARG HB3 H 1 1.745 0.030 . 2 . . . . 62 ARG HB3 . 11281 1 665 . 1 1 62 62 ARG HD2 H 1 3.139 0.030 . 2 . . . . 62 ARG HD2 . 11281 1 666 . 1 1 62 62 ARG HD3 H 1 3.193 0.030 . 2 . . . . 62 ARG HD3 . 11281 1 667 . 1 1 62 62 ARG HG2 H 1 1.499 0.030 . 2 . . . . 62 ARG HG2 . 11281 1 668 . 1 1 62 62 ARG HG3 H 1 1.452 0.030 . 2 . . . . 62 ARG HG3 . 11281 1 669 . 1 1 62 62 ARG C C 13 175.739 0.300 . 1 . . . . 62 ARG C . 11281 1 670 . 1 1 62 62 ARG CA C 13 56.076 0.300 . 1 . . . . 62 ARG CA . 11281 1 671 . 1 1 62 62 ARG CB C 13 29.032 0.300 . 1 . . . . 62 ARG CB . 11281 1 672 . 1 1 62 62 ARG CD C 13 42.770 0.300 . 1 . . . . 62 ARG CD . 11281 1 673 . 1 1 62 62 ARG CG C 13 26.801 0.300 . 1 . . . . 62 ARG CG . 11281 1 674 . 1 1 62 62 ARG N N 15 122.930 0.300 . 1 . . . . 62 ARG N . 11281 1 675 . 1 1 63 63 ARG H H 1 7.709 0.030 . 1 . . . . 63 ARG H . 11281 1 676 . 1 1 63 63 ARG HA H 1 4.319 0.030 . 1 . . . . 63 ARG HA . 11281 1 677 . 1 1 63 63 ARG HB2 H 1 1.396 0.030 . 2 . . . . 63 ARG HB2 . 11281 1 678 . 1 1 63 63 ARG HB3 H 1 1.564 0.030 . 2 . . . . 63 ARG HB3 . 11281 1 679 . 1 1 63 63 ARG HD2 H 1 2.873 0.030 . 2 . . . . 63 ARG HD2 . 11281 1 680 . 1 1 63 63 ARG HD3 H 1 2.920 0.030 . 2 . . . . 63 ARG HD3 . 11281 1 681 . 1 1 63 63 ARG HE H 1 7.088 0.030 . 1 . . . . 63 ARG HE . 11281 1 682 . 1 1 63 63 ARG HG2 H 1 1.128 0.030 . 2 . . . . 63 ARG HG2 . 11281 1 683 . 1 1 63 63 ARG HG3 H 1 1.283 0.030 . 2 . . . . 63 ARG HG3 . 11281 1 684 . 1 1 63 63 ARG C C 13 173.699 0.300 . 1 . . . . 63 ARG C . 11281 1 685 . 1 1 63 63 ARG CA C 13 55.593 0.300 . 1 . . . . 63 ARG CA . 11281 1 686 . 1 1 63 63 ARG CB C 13 31.988 0.300 . 1 . . . . 63 ARG CB . 11281 1 687 . 1 1 63 63 ARG CD C 13 43.444 0.300 . 1 . . . . 63 ARG CD . 11281 1 688 . 1 1 63 63 ARG CG C 13 26.447 0.300 . 1 . . . . 63 ARG CG . 11281 1 689 . 1 1 63 63 ARG N N 15 128.971 0.300 . 1 . . . . 63 ARG N . 11281 1 690 . 1 1 63 63 ARG NE N 15 84.871 0.300 . 1 . . . . 63 ARG NE . 11281 1 691 . 1 1 64 64 GLU H H 1 8.655 0.030 . 1 . . . . 64 GLU H . 11281 1 692 . 1 1 64 64 GLU HA H 1 4.359 0.030 . 1 . . . . 64 GLU HA . 11281 1 693 . 1 1 64 64 GLU HB2 H 1 1.791 0.030 . 2 . . . . 64 GLU HB2 . 11281 1 694 . 1 1 64 64 GLU HB3 H 1 1.977 0.030 . 2 . . . . 64 GLU HB3 . 11281 1 695 . 1 1 64 64 GLU HG2 H 1 2.238 0.030 . 2 . . . . 64 GLU HG2 . 11281 1 696 . 1 1 64 64 GLU HG3 H 1 2.247 0.030 . 2 . . . . 64 GLU HG3 . 11281 1 697 . 1 1 64 64 GLU C C 13 176.442 0.300 . 1 . . . . 64 GLU C . 11281 1 698 . 1 1 64 64 GLU CA C 13 55.576 0.300 . 1 . . . . 64 GLU CA . 11281 1 699 . 1 1 64 64 GLU CB C 13 30.659 0.300 . 1 . . . . 64 GLU CB . 11281 1 700 . 1 1 64 64 GLU CG C 13 36.708 0.300 . 1 . . . . 64 GLU CG . 11281 1 701 . 1 1 64 64 GLU N N 15 126.243 0.300 . 1 . . . . 64 GLU N . 11281 1 702 . 1 1 65 65 PHE H H 1 8.180 0.030 . 1 . . . . 65 PHE H . 11281 1 703 . 1 1 65 65 PHE HA H 1 4.837 0.030 . 1 . . . . 65 PHE HA . 11281 1 704 . 1 1 65 65 PHE HB2 H 1 2.688 0.030 . 2 . . . . 65 PHE HB2 . 11281 1 705 . 1 1 65 65 PHE HB3 H 1 2.830 0.030 . 2 . . . . 65 PHE HB3 . 11281 1 706 . 1 1 65 65 PHE HD1 H 1 7.146 0.030 . 1 . . . . 65 PHE HD1 . 11281 1 707 . 1 1 65 65 PHE HD2 H 1 7.146 0.030 . 1 . . . . 65 PHE HD2 . 11281 1 708 . 1 1 65 65 PHE HE1 H 1 7.028 0.030 . 1 . . . . 65 PHE HE1 . 11281 1 709 . 1 1 65 65 PHE HE2 H 1 7.028 0.030 . 1 . . . . 65 PHE HE2 . 11281 1 710 . 1 1 65 65 PHE HZ H 1 7.105 0.030 . 1 . . . . 65 PHE HZ . 11281 1 711 . 1 1 65 65 PHE C C 13 177.266 0.300 . 1 . . . . 65 PHE C . 11281 1 712 . 1 1 65 65 PHE CA C 13 59.059 0.300 . 1 . . . . 65 PHE CA . 11281 1 713 . 1 1 65 65 PHE CB C 13 38.471 0.300 . 1 . . . . 65 PHE CB . 11281 1 714 . 1 1 65 65 PHE CD1 C 13 131.567 0.300 . 1 . . . . 65 PHE CD1 . 11281 1 715 . 1 1 65 65 PHE CD2 C 13 131.567 0.300 . 1 . . . . 65 PHE CD2 . 11281 1 716 . 1 1 65 65 PHE CE1 C 13 130.116 0.300 . 1 . . . . 65 PHE CE1 . 11281 1 717 . 1 1 65 65 PHE CE2 C 13 130.116 0.300 . 1 . . . . 65 PHE CE2 . 11281 1 718 . 1 1 65 65 PHE N N 15 124.831 0.300 . 1 . . . . 65 PHE N . 11281 1 719 . 1 1 66 66 THR H H 1 9.672 0.030 . 1 . . . . 66 THR H . 11281 1 720 . 1 1 66 66 THR HA H 1 4.611 0.030 . 1 . . . . 66 THR HA . 11281 1 721 . 1 1 66 66 THR HB H 1 4.743 0.030 . 1 . . . . 66 THR HB . 11281 1 722 . 1 1 66 66 THR HG21 H 1 1.356 0.030 . 1 . . . . 66 THR HG2 . 11281 1 723 . 1 1 66 66 THR HG22 H 1 1.356 0.030 . 1 . . . . 66 THR HG2 . 11281 1 724 . 1 1 66 66 THR HG23 H 1 1.356 0.030 . 1 . . . . 66 THR HG2 . 11281 1 725 . 1 1 66 66 THR C C 13 175.170 0.300 . 1 . . . . 66 THR C . 11281 1 726 . 1 1 66 66 THR CA C 13 60.412 0.300 . 1 . . . . 66 THR CA . 11281 1 727 . 1 1 66 66 THR CB C 13 71.502 0.300 . 1 . . . . 66 THR CB . 11281 1 728 . 1 1 66 66 THR CG2 C 13 21.833 0.300 . 1 . . . . 66 THR CG2 . 11281 1 729 . 1 1 66 66 THR N N 15 117.285 0.300 . 1 . . . . 66 THR N . 11281 1 730 . 1 1 67 67 ARG H H 1 8.757 0.030 . 1 . . . . 67 ARG H . 11281 1 731 . 1 1 67 67 ARG HA H 1 4.140 0.030 . 1 . . . . 67 ARG HA . 11281 1 732 . 1 1 67 67 ARG HB2 H 1 1.878 0.030 . 2 . . . . 67 ARG HB2 . 11281 1 733 . 1 1 67 67 ARG HB3 H 1 1.976 0.030 . 2 . . . . 67 ARG HB3 . 11281 1 734 . 1 1 67 67 ARG HD2 H 1 3.246 0.030 . 1 . . . . 67 ARG HD2 . 11281 1 735 . 1 1 67 67 ARG HD3 H 1 3.246 0.030 . 1 . . . . 67 ARG HD3 . 11281 1 736 . 1 1 67 67 ARG HE H 1 7.716 0.030 . 1 . . . . 67 ARG HE . 11281 1 737 . 1 1 67 67 ARG HG2 H 1 1.679 0.030 . 2 . . . . 67 ARG HG2 . 11281 1 738 . 1 1 67 67 ARG HG3 H 1 1.779 0.030 . 2 . . . . 67 ARG HG3 . 11281 1 739 . 1 1 67 67 ARG C C 13 179.906 0.300 . 1 . . . . 67 ARG C . 11281 1 740 . 1 1 67 67 ARG CA C 13 60.055 0.300 . 1 . . . . 67 ARG CA . 11281 1 741 . 1 1 67 67 ARG CB C 13 30.012 0.300 . 1 . . . . 67 ARG CB . 11281 1 742 . 1 1 67 67 ARG CD C 13 43.440 0.300 . 1 . . . . 67 ARG CD . 11281 1 743 . 1 1 67 67 ARG CG C 13 27.075 0.300 . 1 . . . . 67 ARG CG . 11281 1 744 . 1 1 67 67 ARG N N 15 118.512 0.300 . 1 . . . . 67 ARG N . 11281 1 745 . 1 1 68 68 GLU H H 1 8.476 0.030 . 1 . . . . 68 GLU H . 11281 1 746 . 1 1 68 68 GLU HA H 1 4.041 0.030 . 1 . . . . 68 GLU HA . 11281 1 747 . 1 1 68 68 GLU HB2 H 1 1.986 0.030 . 1 . . . . 68 GLU HB2 . 11281 1 748 . 1 1 68 68 GLU HB3 H 1 1.986 0.030 . 1 . . . . 68 GLU HB3 . 11281 1 749 . 1 1 68 68 GLU HG2 H 1 2.302 0.030 . 2 . . . . 68 GLU HG2 . 11281 1 750 . 1 1 68 68 GLU HG3 H 1 2.413 0.030 . 2 . . . . 68 GLU HG3 . 11281 1 751 . 1 1 68 68 GLU C C 13 179.059 0.300 . 1 . . . . 68 GLU C . 11281 1 752 . 1 1 68 68 GLU CA C 13 59.439 0.300 . 1 . . . . 68 GLU CA . 11281 1 753 . 1 1 68 68 GLU CB C 13 29.110 0.300 . 1 . . . . 68 GLU CB . 11281 1 754 . 1 1 68 68 GLU CG C 13 36.957 0.300 . 1 . . . . 68 GLU CG . 11281 1 755 . 1 1 68 68 GLU N N 15 117.505 0.300 . 1 . . . . 68 GLU N . 11281 1 756 . 1 1 69 69 ASP H H 1 7.834 0.030 . 1 . . . . 69 ASP H . 11281 1 757 . 1 1 69 69 ASP HA H 1 4.268 0.030 . 1 . . . . 69 ASP HA . 11281 1 758 . 1 1 69 69 ASP HB2 H 1 2.313 0.030 . 2 . . . . 69 ASP HB2 . 11281 1 759 . 1 1 69 69 ASP HB3 H 1 3.058 0.030 . 2 . . . . 69 ASP HB3 . 11281 1 760 . 1 1 69 69 ASP C C 13 178.190 0.300 . 1 . . . . 69 ASP C . 11281 1 761 . 1 1 69 69 ASP CA C 13 57.487 0.300 . 1 . . . . 69 ASP CA . 11281 1 762 . 1 1 69 69 ASP CB C 13 40.605 0.300 . 1 . . . . 69 ASP CB . 11281 1 763 . 1 1 69 69 ASP N N 15 120.419 0.300 . 1 . . . . 69 ASP N . 11281 1 764 . 1 1 70 70 TYR H H 1 7.301 0.030 . 1 . . . . 70 TYR H . 11281 1 765 . 1 1 70 70 TYR HA H 1 4.025 0.030 . 1 . . . . 70 TYR HA . 11281 1 766 . 1 1 70 70 TYR HB2 H 1 2.928 0.030 . 2 . . . . 70 TYR HB2 . 11281 1 767 . 1 1 70 70 TYR HB3 H 1 3.258 0.030 . 2 . . . . 70 TYR HB3 . 11281 1 768 . 1 1 70 70 TYR HD1 H 1 7.073 0.030 . 1 . . . . 70 TYR HD1 . 11281 1 769 . 1 1 70 70 TYR HD2 H 1 7.073 0.030 . 1 . . . . 70 TYR HD2 . 11281 1 770 . 1 1 70 70 TYR HE1 H 1 6.534 0.030 . 1 . . . . 70 TYR HE1 . 11281 1 771 . 1 1 70 70 TYR HE2 H 1 6.534 0.030 . 1 . . . . 70 TYR HE2 . 11281 1 772 . 1 1 70 70 TYR C C 13 175.904 0.300 . 1 . . . . 70 TYR C . 11281 1 773 . 1 1 70 70 TYR CA C 13 62.347 0.300 . 1 . . . . 70 TYR CA . 11281 1 774 . 1 1 70 70 TYR CB C 13 37.316 0.300 . 1 . . . . 70 TYR CB . 11281 1 775 . 1 1 70 70 TYR CD1 C 13 132.945 0.300 . 1 . . . . 70 TYR CD1 . 11281 1 776 . 1 1 70 70 TYR CD2 C 13 132.945 0.300 . 1 . . . . 70 TYR CD2 . 11281 1 777 . 1 1 70 70 TYR CE1 C 13 117.688 0.300 . 1 . . . . 70 TYR CE1 . 11281 1 778 . 1 1 70 70 TYR CE2 C 13 117.688 0.300 . 1 . . . . 70 TYR CE2 . 11281 1 779 . 1 1 70 70 TYR N N 15 114.022 0.300 . 1 . . . . 70 TYR N . 11281 1 780 . 1 1 71 71 LYS H H 1 7.226 0.030 . 1 . . . . 71 LYS H . 11281 1 781 . 1 1 71 71 LYS HA H 1 4.435 0.030 . 1 . . . . 71 LYS HA . 11281 1 782 . 1 1 71 71 LYS HB2 H 1 1.845 0.030 . 2 . . . . 71 LYS HB2 . 11281 1 783 . 1 1 71 71 LYS HB3 H 1 2.074 0.030 . 2 . . . . 71 LYS HB3 . 11281 1 784 . 1 1 71 71 LYS HD2 H 1 1.724 0.030 . 2 . . . . 71 LYS HD2 . 11281 1 785 . 1 1 71 71 LYS HE2 H 1 3.012 0.030 . 2 . . . . 71 LYS HE2 . 11281 1 786 . 1 1 71 71 LYS HG2 H 1 1.526 0.030 . 2 . . . . 71 LYS HG2 . 11281 1 787 . 1 1 71 71 LYS C C 13 177.322 0.300 . 1 . . . . 71 LYS C . 11281 1 788 . 1 1 71 71 LYS CA C 13 56.042 0.300 . 1 . . . . 71 LYS CA . 11281 1 789 . 1 1 71 71 LYS CB C 13 32.979 0.300 . 1 . . . . 71 LYS CB . 11281 1 790 . 1 1 71 71 LYS CD C 13 29.151 0.300 . 1 . . . . 71 LYS CD . 11281 1 791 . 1 1 71 71 LYS CE C 13 42.355 0.300 . 1 . . . . 71 LYS CE . 11281 1 792 . 1 1 71 71 LYS CG C 13 25.082 0.300 . 1 . . . . 71 LYS CG . 11281 1 793 . 1 1 71 71 LYS N N 15 114.688 0.300 . 1 . . . . 71 LYS N . 11281 1 794 . 1 1 72 72 ARG H H 1 7.704 0.030 . 1 . . . . 72 ARG H . 11281 1 795 . 1 1 72 72 ARG HA H 1 4.339 0.030 . 1 . . . . 72 ARG HA . 11281 1 796 . 1 1 72 72 ARG HB2 H 1 1.991 0.030 . 2 . . . . 72 ARG HB2 . 11281 1 797 . 1 1 72 72 ARG HB3 H 1 1.791 0.030 . 2 . . . . 72 ARG HB3 . 11281 1 798 . 1 1 72 72 ARG HD2 H 1 3.213 0.030 . 2 . . . . 72 ARG HD2 . 11281 1 799 . 1 1 72 72 ARG HD3 H 1 3.264 0.030 . 2 . . . . 72 ARG HD3 . 11281 1 800 . 1 1 72 72 ARG HG2 H 1 1.982 0.030 . 2 . . . . 72 ARG HG2 . 11281 1 801 . 1 1 72 72 ARG HG3 H 1 1.663 0.030 . 2 . . . . 72 ARG HG3 . 11281 1 802 . 1 1 72 72 ARG C C 13 174.758 0.300 . 1 . . . . 72 ARG C . 11281 1 803 . 1 1 72 72 ARG CA C 13 55.833 0.300 . 1 . . . . 72 ARG CA . 11281 1 804 . 1 1 72 72 ARG CB C 13 30.929 0.300 . 1 . . . . 72 ARG CB . 11281 1 805 . 1 1 72 72 ARG CD C 13 43.688 0.300 . 1 . . . . 72 ARG CD . 11281 1 806 . 1 1 72 72 ARG CG C 13 28.045 0.300 . 1 . . . . 72 ARG CG . 11281 1 807 . 1 1 72 72 ARG N N 15 120.202 0.300 . 1 . . . . 72 ARG N . 11281 1 808 . 1 1 73 73 ARG H H 1 8.478 0.030 . 1 . . . . 73 ARG H . 11281 1 809 . 1 1 73 73 ARG HA H 1 4.407 0.030 . 1 . . . . 73 ARG HA . 11281 1 810 . 1 1 73 73 ARG HB2 H 1 1.711 0.030 . 1 . . . . 73 ARG HB2 . 11281 1 811 . 1 1 73 73 ARG HB3 H 1 1.711 0.030 . 1 . . . . 73 ARG HB3 . 11281 1 812 . 1 1 73 73 ARG HD2 H 1 3.078 0.030 . 2 . . . . 73 ARG HD2 . 11281 1 813 . 1 1 73 73 ARG HD3 H 1 3.375 0.030 . 2 . . . . 73 ARG HD3 . 11281 1 814 . 1 1 73 73 ARG HG2 H 1 1.878 0.030 . 2 . . . . 73 ARG HG2 . 11281 1 815 . 1 1 73 73 ARG HG3 H 1 1.714 0.030 . 2 . . . . 73 ARG HG3 . 11281 1 816 . 1 1 73 73 ARG C C 13 178.666 0.300 . 1 . . . . 73 ARG C . 11281 1 817 . 1 1 73 73 ARG CA C 13 55.444 0.300 . 1 . . . . 73 ARG CA . 11281 1 818 . 1 1 73 73 ARG CB C 13 31.359 0.300 . 1 . . . . 73 ARG CB . 11281 1 819 . 1 1 73 73 ARG CD C 13 44.099 0.300 . 1 . . . . 73 ARG CD . 11281 1 820 . 1 1 73 73 ARG CG C 13 26.713 0.300 . 1 . . . . 73 ARG CG . 11281 1 821 . 1 1 73 73 ARG N N 15 117.271 0.300 . 1 . . . . 73 ARG N . 11281 1 822 . 1 1 74 74 LEU H H 1 8.758 0.030 . 1 . . . . 74 LEU H . 11281 1 823 . 1 1 74 74 LEU HA H 1 3.676 0.030 . 1 . . . . 74 LEU HA . 11281 1 824 . 1 1 74 74 LEU HB2 H 1 0.884 0.030 . 2 . . . . 74 LEU HB2 . 11281 1 825 . 1 1 74 74 LEU HB3 H 1 1.947 0.030 . 2 . . . . 74 LEU HB3 . 11281 1 826 . 1 1 74 74 LEU HD11 H 1 0.613 0.030 . 1 . . . . 74 LEU HD1 . 11281 1 827 . 1 1 74 74 LEU HD12 H 1 0.613 0.030 . 1 . . . . 74 LEU HD1 . 11281 1 828 . 1 1 74 74 LEU HD13 H 1 0.613 0.030 . 1 . . . . 74 LEU HD1 . 11281 1 829 . 1 1 74 74 LEU HD21 H 1 0.406 0.030 . 1 . . . . 74 LEU HD2 . 11281 1 830 . 1 1 74 74 LEU HD22 H 1 0.406 0.030 . 1 . . . . 74 LEU HD2 . 11281 1 831 . 1 1 74 74 LEU HD23 H 1 0.406 0.030 . 1 . . . . 74 LEU HD2 . 11281 1 832 . 1 1 74 74 LEU HG H 1 1.935 0.030 . 1 . . . . 74 LEU HG . 11281 1 833 . 1 1 74 74 LEU C C 13 180.314 0.300 . 1 . . . . 74 LEU C . 11281 1 834 . 1 1 74 74 LEU CA C 13 59.042 0.300 . 1 . . . . 74 LEU CA . 11281 1 835 . 1 1 74 74 LEU CB C 13 40.198 0.300 . 1 . . . . 74 LEU CB . 11281 1 836 . 1 1 74 74 LEU CD1 C 13 26.919 0.300 . 2 . . . . 74 LEU CD1 . 11281 1 837 . 1 1 74 74 LEU CD2 C 13 23.415 0.300 . 2 . . . . 74 LEU CD2 . 11281 1 838 . 1 1 74 74 LEU CG C 13 26.059 0.300 . 1 . . . . 74 LEU CG . 11281 1 839 . 1 1 74 74 LEU N N 15 121.630 0.300 . 1 . . . . 74 LEU N . 11281 1 840 . 1 1 75 75 LEU H H 1 8.293 0.030 . 1 . . . . 75 LEU H . 11281 1 841 . 1 1 75 75 LEU HA H 1 4.009 0.030 . 1 . . . . 75 LEU HA . 11281 1 842 . 1 1 75 75 LEU HB2 H 1 1.364 0.030 . 2 . . . . 75 LEU HB2 . 11281 1 843 . 1 1 75 75 LEU HB3 H 1 1.486 0.030 . 2 . . . . 75 LEU HB3 . 11281 1 844 . 1 1 75 75 LEU HD11 H 1 0.778 0.030 . 1 . . . . 75 LEU HD1 . 11281 1 845 . 1 1 75 75 LEU HD12 H 1 0.778 0.030 . 1 . . . . 75 LEU HD1 . 11281 1 846 . 1 1 75 75 LEU HD13 H 1 0.778 0.030 . 1 . . . . 75 LEU HD1 . 11281 1 847 . 1 1 75 75 LEU HD21 H 1 0.818 0.030 . 1 . . . . 75 LEU HD2 . 11281 1 848 . 1 1 75 75 LEU HD22 H 1 0.818 0.030 . 1 . . . . 75 LEU HD2 . 11281 1 849 . 1 1 75 75 LEU HD23 H 1 0.818 0.030 . 1 . . . . 75 LEU HD2 . 11281 1 850 . 1 1 75 75 LEU HG H 1 1.492 0.030 . 1 . . . . 75 LEU HG . 11281 1 851 . 1 1 75 75 LEU C C 13 179.483 0.300 . 1 . . . . 75 LEU C . 11281 1 852 . 1 1 75 75 LEU CA C 13 57.984 0.300 . 1 . . . . 75 LEU CA . 11281 1 853 . 1 1 75 75 LEU CB C 13 42.685 0.300 . 1 . . . . 75 LEU CB . 11281 1 854 . 1 1 75 75 LEU CD1 C 13 25.537 0.300 . 2 . . . . 75 LEU CD1 . 11281 1 855 . 1 1 75 75 LEU CD2 C 13 24.321 0.300 . 2 . . . . 75 LEU CD2 . 11281 1 856 . 1 1 75 75 LEU CG C 13 26.804 0.300 . 1 . . . . 75 LEU CG . 11281 1 857 . 1 1 75 75 LEU N N 15 115.323 0.300 . 1 . . . . 75 LEU N . 11281 1 858 . 1 1 76 76 ASP H H 1 7.018 0.030 . 1 . . . . 76 ASP H . 11281 1 859 . 1 1 76 76 ASP HA H 1 4.528 0.030 . 1 . . . . 76 ASP HA . 11281 1 860 . 1 1 76 76 ASP HB2 H 1 2.930 0.030 . 2 . . . . 76 ASP HB2 . 11281 1 861 . 1 1 76 76 ASP HB3 H 1 2.830 0.030 . 2 . . . . 76 ASP HB3 . 11281 1 862 . 1 1 76 76 ASP C C 13 177.073 0.300 . 1 . . . . 76 ASP C . 11281 1 863 . 1 1 76 76 ASP CA C 13 56.614 0.300 . 1 . . . . 76 ASP CA . 11281 1 864 . 1 1 76 76 ASP CB C 13 40.866 0.300 . 1 . . . . 76 ASP CB . 11281 1 865 . 1 1 76 76 ASP N N 15 119.688 0.300 . 1 . . . . 76 ASP N . 11281 1 866 . 1 1 77 77 LEU H H 1 7.293 0.030 . 1 . . . . 77 LEU H . 11281 1 867 . 1 1 77 77 LEU HA H 1 4.355 0.030 . 1 . . . . 77 LEU HA . 11281 1 868 . 1 1 77 77 LEU HB2 H 1 1.543 0.030 . 2 . . . . 77 LEU HB2 . 11281 1 869 . 1 1 77 77 LEU HB3 H 1 1.628 0.030 . 2 . . . . 77 LEU HB3 . 11281 1 870 . 1 1 77 77 LEU HD11 H 1 0.529 0.030 . 1 . . . . 77 LEU HD1 . 11281 1 871 . 1 1 77 77 LEU HD12 H 1 0.529 0.030 . 1 . . . . 77 LEU HD1 . 11281 1 872 . 1 1 77 77 LEU HD13 H 1 0.529 0.030 . 1 . . . . 77 LEU HD1 . 11281 1 873 . 1 1 77 77 LEU HD21 H 1 0.817 0.030 . 1 . . . . 77 LEU HD2 . 11281 1 874 . 1 1 77 77 LEU HD22 H 1 0.817 0.030 . 1 . . . . 77 LEU HD2 . 11281 1 875 . 1 1 77 77 LEU HD23 H 1 0.817 0.030 . 1 . . . . 77 LEU HD2 . 11281 1 876 . 1 1 77 77 LEU HG H 1 1.448 0.030 . 1 . . . . 77 LEU HG . 11281 1 877 . 1 1 77 77 LEU C C 13 174.855 0.300 . 1 . . . . 77 LEU C . 11281 1 878 . 1 1 77 77 LEU CA C 13 54.311 0.300 . 1 . . . . 77 LEU CA . 11281 1 879 . 1 1 77 77 LEU CB C 13 43.526 0.300 . 1 . . . . 77 LEU CB . 11281 1 880 . 1 1 77 77 LEU CD1 C 13 28.265 0.300 . 2 . . . . 77 LEU CD1 . 11281 1 881 . 1 1 77 77 LEU CD2 C 13 22.674 0.300 . 2 . . . . 77 LEU CD2 . 11281 1 882 . 1 1 77 77 LEU CG C 13 26.578 0.300 . 1 . . . . 77 LEU CG . 11281 1 883 . 1 1 77 77 LEU N N 15 119.312 0.300 . 1 . . . . 77 LEU N . 11281 1 884 . 1 1 78 78 GLU H H 1 7.725 0.030 . 1 . . . . 78 GLU H . 11281 1 885 . 1 1 78 78 GLU HA H 1 4.165 0.030 . 1 . . . . 78 GLU HA . 11281 1 886 . 1 1 78 78 GLU HB2 H 1 2.344 0.030 . 1 . . . . 78 GLU HB2 . 11281 1 887 . 1 1 78 78 GLU HB3 H 1 2.344 0.030 . 1 . . . . 78 GLU HB3 . 11281 1 888 . 1 1 78 78 GLU HG2 H 1 2.197 0.030 . 1 . . . . 78 GLU HG2 . 11281 1 889 . 1 1 78 78 GLU HG3 H 1 2.197 0.030 . 1 . . . . 78 GLU HG3 . 11281 1 890 . 1 1 78 78 GLU C C 13 176.320 0.300 . 1 . . . . 78 GLU C . 11281 1 891 . 1 1 78 78 GLU CA C 13 57.694 0.300 . 1 . . . . 78 GLU CA . 11281 1 892 . 1 1 78 78 GLU CB C 13 26.240 0.300 . 1 . . . . 78 GLU CB . 11281 1 893 . 1 1 78 78 GLU CG C 13 36.874 0.300 . 1 . . . . 78 GLU CG . 11281 1 894 . 1 1 78 78 GLU N N 15 112.015 0.300 . 1 . . . . 78 GLU N . 11281 1 895 . 1 1 79 79 LEU H H 1 7.496 0.030 . 1 . . . . 79 LEU H . 11281 1 896 . 1 1 79 79 LEU HA H 1 4.316 0.030 . 1 . . . . 79 LEU HA . 11281 1 897 . 1 1 79 79 LEU HB2 H 1 1.332 0.030 . 1 . . . . 79 LEU HB2 . 11281 1 898 . 1 1 79 79 LEU HB3 H 1 1.332 0.030 . 1 . . . . 79 LEU HB3 . 11281 1 899 . 1 1 79 79 LEU HD11 H 1 0.534 0.030 . 1 . . . . 79 LEU HD1 . 11281 1 900 . 1 1 79 79 LEU HD12 H 1 0.534 0.030 . 1 . . . . 79 LEU HD1 . 11281 1 901 . 1 1 79 79 LEU HD13 H 1 0.534 0.030 . 1 . . . . 79 LEU HD1 . 11281 1 902 . 1 1 79 79 LEU HD21 H 1 0.640 0.030 . 1 . . . . 79 LEU HD2 . 11281 1 903 . 1 1 79 79 LEU HD22 H 1 0.640 0.030 . 1 . . . . 79 LEU HD2 . 11281 1 904 . 1 1 79 79 LEU HD23 H 1 0.640 0.030 . 1 . . . . 79 LEU HD2 . 11281 1 905 . 1 1 79 79 LEU HG H 1 1.508 0.030 . 1 . . . . 79 LEU HG . 11281 1 906 . 1 1 79 79 LEU C C 13 172.496 0.300 . 1 . . . . 79 LEU C . 11281 1 907 . 1 1 79 79 LEU CA C 13 53.702 0.300 . 1 . . . . 79 LEU CA . 11281 1 908 . 1 1 79 79 LEU CB C 13 41.237 0.300 . 1 . . . . 79 LEU CB . 11281 1 909 . 1 1 79 79 LEU CD1 C 13 27.216 0.300 . 2 . . . . 79 LEU CD1 . 11281 1 910 . 1 1 79 79 LEU CD2 C 13 22.674 0.300 . 2 . . . . 79 LEU CD2 . 11281 1 911 . 1 1 79 79 LEU CG C 13 26.072 0.300 . 1 . . . . 79 LEU CG . 11281 1 912 . 1 1 79 79 LEU N N 15 116.680 0.300 . 1 . . . . 79 LEU N . 11281 1 913 . 1 1 80 80 ALA H H 1 6.965 0.030 . 1 . . . . 80 ALA H . 11281 1 914 . 1 1 80 80 ALA HA H 1 4.409 0.030 . 1 . . . . 80 ALA HA . 11281 1 915 . 1 1 80 80 ALA HB1 H 1 1.140 0.030 . 1 . . . . 80 ALA HB . 11281 1 916 . 1 1 80 80 ALA HB2 H 1 1.140 0.030 . 1 . . . . 80 ALA HB . 11281 1 917 . 1 1 80 80 ALA HB3 H 1 1.140 0.030 . 1 . . . . 80 ALA HB . 11281 1 918 . 1 1 80 80 ALA C C 13 176.060 0.300 . 1 . . . . 80 ALA C . 11281 1 919 . 1 1 80 80 ALA CA C 13 48.680 0.300 . 1 . . . . 80 ALA CA . 11281 1 920 . 1 1 80 80 ALA CB C 13 20.588 0.300 . 1 . . . . 80 ALA CB . 11281 1 921 . 1 1 80 80 ALA N N 15 114.444 0.300 . 1 . . . . 80 ALA N . 11281 1 922 . 1 1 81 81 PRO HA H 1 4.837 0.030 . 1 . . . . 81 PRO HA . 11281 1 923 . 1 1 81 81 PRO HB2 H 1 2.262 0.030 . 2 . . . . 81 PRO HB2 . 11281 1 924 . 1 1 81 81 PRO HB3 H 1 2.511 0.030 . 2 . . . . 81 PRO HB3 . 11281 1 925 . 1 1 81 81 PRO HD2 H 1 3.498 0.030 . 2 . . . . 81 PRO HD2 . 11281 1 926 . 1 1 81 81 PRO HD3 H 1 3.830 0.030 . 2 . . . . 81 PRO HD3 . 11281 1 927 . 1 1 81 81 PRO HG2 H 1 1.924 0.030 . 2 . . . . 81 PRO HG2 . 11281 1 928 . 1 1 81 81 PRO HG3 H 1 2.033 0.030 . 2 . . . . 81 PRO HG3 . 11281 1 929 . 1 1 81 81 PRO C C 13 176.600 0.300 . 1 . . . . 81 PRO C . 11281 1 930 . 1 1 81 81 PRO CA C 13 63.686 0.300 . 1 . . . . 81 PRO CA . 11281 1 931 . 1 1 81 81 PRO CB C 13 34.749 0.300 . 1 . . . . 81 PRO CB . 11281 1 932 . 1 1 81 81 PRO CD C 13 50.576 0.300 . 1 . . . . 81 PRO CD . 11281 1 933 . 1 1 81 81 PRO CG C 13 24.667 0.300 . 1 . . . . 81 PRO CG . 11281 1 934 . 1 1 82 82 SER H H 1 7.545 0.030 . 1 . . . . 82 SER H . 11281 1 935 . 1 1 82 82 SER HA H 1 5.484 0.030 . 1 . . . . 82 SER HA . 11281 1 936 . 1 1 82 82 SER HB2 H 1 3.851 0.030 . 1 . . . . 82 SER HB2 . 11281 1 937 . 1 1 82 82 SER HB3 H 1 3.851 0.030 . 1 . . . . 82 SER HB3 . 11281 1 938 . 1 1 82 82 SER C C 13 172.518 0.300 . 1 . . . . 82 SER C . 11281 1 939 . 1 1 82 82 SER CA C 13 57.136 0.300 . 1 . . . . 82 SER CA . 11281 1 940 . 1 1 82 82 SER CB C 13 65.169 0.300 . 1 . . . . 82 SER CB . 11281 1 941 . 1 1 82 82 SER N N 15 117.252 0.300 . 1 . . . . 82 SER N . 11281 1 942 . 1 1 83 83 ALA H H 1 8.336 0.030 . 1 . . . . 83 ALA H . 11281 1 943 . 1 1 83 83 ALA HA H 1 4.673 0.030 . 1 . . . . 83 ALA HA . 11281 1 944 . 1 1 83 83 ALA HB1 H 1 1.411 0.030 . 1 . . . . 83 ALA HB . 11281 1 945 . 1 1 83 83 ALA HB2 H 1 1.411 0.030 . 1 . . . . 83 ALA HB . 11281 1 946 . 1 1 83 83 ALA HB3 H 1 1.411 0.030 . 1 . . . . 83 ALA HB . 11281 1 947 . 1 1 83 83 ALA C C 13 175.703 0.300 . 1 . . . . 83 ALA C . 11281 1 948 . 1 1 83 83 ALA CA C 13 51.898 0.300 . 1 . . . . 83 ALA CA . 11281 1 949 . 1 1 83 83 ALA CB C 13 24.371 0.300 . 1 . . . . 83 ALA CB . 11281 1 950 . 1 1 83 83 ALA N N 15 122.573 0.300 . 1 . . . . 83 ALA N . 11281 1 951 . 1 1 84 84 SER H H 1 8.490 0.030 . 1 . . . . 84 SER H . 11281 1 952 . 1 1 84 84 SER HA H 1 5.543 0.030 . 1 . . . . 84 SER HA . 11281 1 953 . 1 1 84 84 SER HB2 H 1 3.709 0.030 . 1 . . . . 84 SER HB2 . 11281 1 954 . 1 1 84 84 SER HB3 H 1 3.709 0.030 . 1 . . . . 84 SER HB3 . 11281 1 955 . 1 1 84 84 SER C C 13 173.390 0.300 . 1 . . . . 84 SER C . 11281 1 956 . 1 1 84 84 SER CA C 13 57.188 0.300 . 1 . . . . 84 SER CA . 11281 1 957 . 1 1 84 84 SER CB C 13 64.830 0.300 . 1 . . . . 84 SER CB . 11281 1 958 . 1 1 84 84 SER N N 15 115.610 0.300 . 1 . . . . 84 SER N . 11281 1 959 . 1 1 85 85 VAL H H 1 9.098 0.030 . 1 . . . . 85 VAL H . 11281 1 960 . 1 1 85 85 VAL HA H 1 4.921 0.030 . 1 . . . . 85 VAL HA . 11281 1 961 . 1 1 85 85 VAL HB H 1 1.909 0.030 . 1 . . . . 85 VAL HB . 11281 1 962 . 1 1 85 85 VAL HG11 H 1 0.824 0.030 . 1 . . . . 85 VAL HG1 . 11281 1 963 . 1 1 85 85 VAL HG12 H 1 0.824 0.030 . 1 . . . . 85 VAL HG1 . 11281 1 964 . 1 1 85 85 VAL HG13 H 1 0.824 0.030 . 1 . . . . 85 VAL HG1 . 11281 1 965 . 1 1 85 85 VAL HG21 H 1 0.506 0.030 . 1 . . . . 85 VAL HG2 . 11281 1 966 . 1 1 85 85 VAL HG22 H 1 0.506 0.030 . 1 . . . . 85 VAL HG2 . 11281 1 967 . 1 1 85 85 VAL HG23 H 1 0.506 0.030 . 1 . . . . 85 VAL HG2 . 11281 1 968 . 1 1 85 85 VAL C C 13 173.705 0.300 . 1 . . . . 85 VAL C . 11281 1 969 . 1 1 85 85 VAL CA C 13 58.884 0.300 . 1 . . . . 85 VAL CA . 11281 1 970 . 1 1 85 85 VAL CB C 13 34.913 0.300 . 1 . . . . 85 VAL CB . 11281 1 971 . 1 1 85 85 VAL CG1 C 13 22.092 0.300 . 2 . . . . 85 VAL CG1 . 11281 1 972 . 1 1 85 85 VAL CG2 C 13 21.179 0.300 . 2 . . . . 85 VAL CG2 . 11281 1 973 . 1 1 85 85 VAL N N 15 120.031 0.300 . 1 . . . . 85 VAL N . 11281 1 974 . 1 1 86 86 VAL H H 1 9.361 0.030 . 1 . . . . 86 VAL H . 11281 1 975 . 1 1 86 86 VAL HA H 1 4.631 0.030 . 1 . . . . 86 VAL HA . 11281 1 976 . 1 1 86 86 VAL HB H 1 1.810 0.030 . 1 . . . . 86 VAL HB . 11281 1 977 . 1 1 86 86 VAL HG11 H 1 0.775 0.030 . 1 . . . . 86 VAL HG1 . 11281 1 978 . 1 1 86 86 VAL HG12 H 1 0.775 0.030 . 1 . . . . 86 VAL HG1 . 11281 1 979 . 1 1 86 86 VAL HG13 H 1 0.775 0.030 . 1 . . . . 86 VAL HG1 . 11281 1 980 . 1 1 86 86 VAL HG21 H 1 0.772 0.030 . 1 . . . . 86 VAL HG2 . 11281 1 981 . 1 1 86 86 VAL HG22 H 1 0.772 0.030 . 1 . . . . 86 VAL HG2 . 11281 1 982 . 1 1 86 86 VAL HG23 H 1 0.772 0.030 . 1 . . . . 86 VAL HG2 . 11281 1 983 . 1 1 86 86 VAL C C 13 174.037 0.300 . 1 . . . . 86 VAL C . 11281 1 984 . 1 1 86 86 VAL CA C 13 60.136 0.300 . 1 . . . . 86 VAL CA . 11281 1 985 . 1 1 86 86 VAL CB C 13 34.284 0.300 . 1 . . . . 86 VAL CB . 11281 1 986 . 1 1 86 86 VAL CG1 C 13 21.341 0.300 . 2 . . . . 86 VAL CG1 . 11281 1 987 . 1 1 86 86 VAL CG2 C 13 21.282 0.300 . 2 . . . . 86 VAL CG2 . 11281 1 988 . 1 1 86 86 VAL N N 15 121.375 0.300 . 1 . . . . 86 VAL N . 11281 1 989 . 1 1 87 87 LEU H H 1 8.014 0.030 . 1 . . . . 87 LEU H . 11281 1 990 . 1 1 87 87 LEU HA H 1 4.821 0.030 . 1 . . . . 87 LEU HA . 11281 1 991 . 1 1 87 87 LEU HB2 H 1 1.116 0.030 . 2 . . . . 87 LEU HB2 . 11281 1 992 . 1 1 87 87 LEU HB3 H 1 1.383 0.030 . 2 . . . . 87 LEU HB3 . 11281 1 993 . 1 1 87 87 LEU HD11 H 1 0.093 0.030 . 1 . . . . 87 LEU HD1 . 11281 1 994 . 1 1 87 87 LEU HD12 H 1 0.093 0.030 . 1 . . . . 87 LEU HD1 . 11281 1 995 . 1 1 87 87 LEU HD13 H 1 0.093 0.030 . 1 . . . . 87 LEU HD1 . 11281 1 996 . 1 1 87 87 LEU HD21 H 1 0.050 0.030 . 1 . . . . 87 LEU HD2 . 11281 1 997 . 1 1 87 87 LEU HD22 H 1 0.050 0.030 . 1 . . . . 87 LEU HD2 . 11281 1 998 . 1 1 87 87 LEU HD23 H 1 0.050 0.030 . 1 . . . . 87 LEU HD2 . 11281 1 999 . 1 1 87 87 LEU HG H 1 1.245 0.030 . 1 . . . . 87 LEU HG . 11281 1 1000 . 1 1 87 87 LEU C C 13 175.126 0.300 . 1 . . . . 87 LEU C . 11281 1 1001 . 1 1 87 87 LEU CA C 13 56.061 0.300 . 1 . . . . 87 LEU CA . 11281 1 1002 . 1 1 87 87 LEU CB C 13 43.569 0.300 . 1 . . . . 87 LEU CB . 11281 1 1003 . 1 1 87 87 LEU CD1 C 13 26.162 0.300 . 2 . . . . 87 LEU CD1 . 11281 1 1004 . 1 1 87 87 LEU CD2 C 13 24.418 0.300 . 2 . . . . 87 LEU CD2 . 11281 1 1005 . 1 1 87 87 LEU CG C 13 29.317 0.300 . 1 . . . . 87 LEU CG . 11281 1 1006 . 1 1 87 87 LEU N N 15 126.880 0.300 . 1 . . . . 87 LEU N . 11281 1 1007 . 1 1 88 88 LEU H H 1 8.868 0.030 . 1 . . . . 88 LEU H . 11281 1 1008 . 1 1 88 88 LEU HA H 1 4.910 0.030 . 1 . . . . 88 LEU HA . 11281 1 1009 . 1 1 88 88 LEU HB2 H 1 1.334 0.030 . 2 . . . . 88 LEU HB2 . 11281 1 1010 . 1 1 88 88 LEU HB3 H 1 1.802 0.030 . 2 . . . . 88 LEU HB3 . 11281 1 1011 . 1 1 88 88 LEU HD11 H 1 0.731 0.030 . 1 . . . . 88 LEU HD1 . 11281 1 1012 . 1 1 88 88 LEU HD12 H 1 0.731 0.030 . 1 . . . . 88 LEU HD1 . 11281 1 1013 . 1 1 88 88 LEU HD13 H 1 0.731 0.030 . 1 . . . . 88 LEU HD1 . 11281 1 1014 . 1 1 88 88 LEU HD21 H 1 0.734 0.030 . 1 . . . . 88 LEU HD2 . 11281 1 1015 . 1 1 88 88 LEU HD22 H 1 0.734 0.030 . 1 . . . . 88 LEU HD2 . 11281 1 1016 . 1 1 88 88 LEU HD23 H 1 0.734 0.030 . 1 . . . . 88 LEU HD2 . 11281 1 1017 . 1 1 88 88 LEU HG H 1 1.463 0.030 . 1 . . . . 88 LEU HG . 11281 1 1018 . 1 1 88 88 LEU C C 13 174.382 0.300 . 1 . . . . 88 LEU C . 11281 1 1019 . 1 1 88 88 LEU CA C 13 50.892 0.300 . 1 . . . . 88 LEU CA . 11281 1 1020 . 1 1 88 88 LEU CB C 13 41.950 0.300 . 1 . . . . 88 LEU CB . 11281 1 1021 . 1 1 88 88 LEU CD1 C 13 26.059 0.300 . 2 . . . . 88 LEU CD1 . 11281 1 1022 . 1 1 88 88 LEU CD2 C 13 23.576 0.300 . 2 . . . . 88 LEU CD2 . 11281 1 1023 . 1 1 88 88 LEU CG C 13 26.059 0.300 . 1 . . . . 88 LEU CG . 11281 1 1024 . 1 1 88 88 LEU N N 15 127.323 0.300 . 1 . . . . 88 LEU N . 11281 1 1025 . 1 1 89 89 PRO HA H 1 4.574 0.030 . 1 . . . . 89 PRO HA . 11281 1 1026 . 1 1 89 89 PRO HB2 H 1 2.046 0.030 . 2 . . . . 89 PRO HB2 . 11281 1 1027 . 1 1 89 89 PRO HB3 H 1 2.520 0.030 . 2 . . . . 89 PRO HB3 . 11281 1 1028 . 1 1 89 89 PRO HD2 H 1 3.729 0.030 . 2 . . . . 89 PRO HD2 . 11281 1 1029 . 1 1 89 89 PRO HD3 H 1 3.953 0.030 . 2 . . . . 89 PRO HD3 . 11281 1 1030 . 1 1 89 89 PRO HG2 H 1 1.759 0.030 . 2 . . . . 89 PRO HG2 . 11281 1 1031 . 1 1 89 89 PRO HG3 H 1 2.172 0.030 . 2 . . . . 89 PRO HG3 . 11281 1 1032 . 1 1 89 89 PRO C C 13 176.254 0.300 . 1 . . . . 89 PRO C . 11281 1 1033 . 1 1 89 89 PRO CA C 13 62.714 0.300 . 1 . . . . 89 PRO CA . 11281 1 1034 . 1 1 89 89 PRO CB C 13 32.794 0.300 . 1 . . . . 89 PRO CB . 11281 1 1035 . 1 1 89 89 PRO CD C 13 51.047 0.300 . 1 . . . . 89 PRO CD . 11281 1 1036 . 1 1 89 89 PRO CG C 13 28.072 0.300 . 1 . . . . 89 PRO CG . 11281 1 1037 . 1 1 90 90 ALA H H 1 8.238 0.030 . 1 . . . . 90 ALA H . 11281 1 1038 . 1 1 90 90 ALA HA H 1 4.366 0.030 . 1 . . . . 90 ALA HA . 11281 1 1039 . 1 1 90 90 ALA HB1 H 1 1.394 0.030 . 1 . . . . 90 ALA HB . 11281 1 1040 . 1 1 90 90 ALA HB2 H 1 1.394 0.030 . 1 . . . . 90 ALA HB . 11281 1 1041 . 1 1 90 90 ALA HB3 H 1 1.394 0.030 . 1 . . . . 90 ALA HB . 11281 1 1042 . 1 1 90 90 ALA C C 13 178.301 0.300 . 1 . . . . 90 ALA C . 11281 1 1043 . 1 1 90 90 ALA CA C 13 52.625 0.300 . 1 . . . . 90 ALA CA . 11281 1 1044 . 1 1 90 90 ALA CB C 13 19.805 0.300 . 1 . . . . 90 ALA CB . 11281 1 1045 . 1 1 90 90 ALA N N 15 124.059 0.300 . 1 . . . . 90 ALA N . 11281 1 1046 . 1 1 91 91 GLY H H 1 8.541 0.030 . 1 . . . . 91 GLY H . 11281 1 1047 . 1 1 91 91 GLY HA2 H 1 3.940 0.030 . 1 . . . . 91 GLY HA2 . 11281 1 1048 . 1 1 91 91 GLY HA3 H 1 3.940 0.030 . 1 . . . . 91 GLY HA3 . 11281 1 1049 . 1 1 91 91 GLY C C 13 173.795 0.300 . 1 . . . . 91 GLY C . 11281 1 1050 . 1 1 91 91 GLY CA C 13 45.202 0.300 . 1 . . . . 91 GLY CA . 11281 1 1051 . 1 1 91 91 GLY N N 15 108.708 0.300 . 1 . . . . 91 GLY N . 11281 1 1052 . 1 1 92 92 ARG H H 1 8.116 0.030 . 1 . . . . 92 ARG H . 11281 1 1053 . 1 1 92 92 ARG HA H 1 4.661 0.030 . 1 . . . . 92 ARG HA . 11281 1 1054 . 1 1 92 92 ARG HB2 H 1 1.750 0.030 . 2 . . . . 92 ARG HB2 . 11281 1 1055 . 1 1 92 92 ARG HB3 H 1 1.836 0.030 . 2 . . . . 92 ARG HB3 . 11281 1 1056 . 1 1 92 92 ARG HD2 H 1 3.623 0.030 . 1 . . . . 92 ARG HD2 . 11281 1 1057 . 1 1 92 92 ARG HD3 H 1 3.623 0.030 . 1 . . . . 92 ARG HD3 . 11281 1 1058 . 1 1 92 92 ARG HG2 H 1 1.654 0.030 . 1 . . . . 92 ARG HG2 . 11281 1 1059 . 1 1 92 92 ARG HG3 H 1 1.654 0.030 . 1 . . . . 92 ARG HG3 . 11281 1 1060 . 1 1 92 92 ARG C C 13 175.605 0.300 . 1 . . . . 92 ARG C . 11281 1 1061 . 1 1 92 92 ARG CA C 13 53.734 0.300 . 1 . . . . 92 ARG CA . 11281 1 1062 . 1 1 92 92 ARG CB C 13 30.031 0.300 . 1 . . . . 92 ARG CB . 11281 1 1063 . 1 1 92 92 ARG CG C 13 26.804 0.300 . 1 . . . . 92 ARG CG . 11281 1 1064 . 1 1 92 92 ARG N N 15 121.278 0.300 . 1 . . . . 92 ARG N . 11281 1 1065 . 1 1 93 93 PRO HA H 1 4.452 0.030 . 1 . . . . 93 PRO HA . 11281 1 1066 . 1 1 93 93 PRO HB2 H 1 1.929 0.030 . 2 . . . . 93 PRO HB2 . 11281 1 1067 . 1 1 93 93 PRO HB3 H 1 2.313 0.030 . 2 . . . . 93 PRO HB3 . 11281 1 1068 . 1 1 93 93 PRO HD2 H 1 3.623 0.030 . 2 . . . . 93 PRO HD2 . 11281 1 1069 . 1 1 93 93 PRO HD3 H 1 3.830 0.030 . 2 . . . . 93 PRO HD3 . 11281 1 1070 . 1 1 93 93 PRO HG2 H 1 2.013 0.030 . 1 . . . . 93 PRO HG2 . 11281 1 1071 . 1 1 93 93 PRO HG3 H 1 2.013 0.030 . 1 . . . . 93 PRO HG3 . 11281 1 1072 . 1 1 93 93 PRO C C 13 176.963 0.300 . 1 . . . . 93 PRO C . 11281 1 1073 . 1 1 93 93 PRO CA C 13 62.959 0.300 . 1 . . . . 93 PRO CA . 11281 1 1074 . 1 1 93 93 PRO CB C 13 32.099 0.300 . 1 . . . . 93 PRO CB . 11281 1 1075 . 1 1 93 93 PRO CD C 13 50.493 0.300 . 1 . . . . 93 PRO CD . 11281 1 1076 . 1 1 93 93 PRO CG C 13 27.300 0.300 . 1 . . . . 93 PRO CG . 11281 1 1077 . 1 1 94 94 ALA H H 1 8.606 0.030 . 1 . . . . 94 ALA H . 11281 1 1078 . 1 1 94 94 ALA HA H 1 4.297 0.030 . 1 . . . . 94 ALA HA . 11281 1 1079 . 1 1 94 94 ALA HB1 H 1 1.405 0.030 . 1 . . . . 94 ALA HB . 11281 1 1080 . 1 1 94 94 ALA HB2 H 1 1.405 0.030 . 1 . . . . 94 ALA HB . 11281 1 1081 . 1 1 94 94 ALA HB3 H 1 1.405 0.030 . 1 . . . . 94 ALA HB . 11281 1 1082 . 1 1 94 94 ALA C C 13 178.069 0.300 . 1 . . . . 94 ALA C . 11281 1 1083 . 1 1 94 94 ALA CA C 13 52.936 0.300 . 1 . . . . 94 ALA CA . 11281 1 1084 . 1 1 94 94 ALA CB C 13 19.056 0.300 . 1 . . . . 94 ALA CB . 11281 1 1085 . 1 1 94 94 ALA N N 15 124.714 0.300 . 1 . . . . 94 ALA N . 11281 1 1086 . 1 1 95 95 THR H H 1 8.005 0.030 . 1 . . . . 95 THR H . 11281 1 1087 . 1 1 95 95 THR HA H 1 4.315 0.030 . 1 . . . . 95 THR HA . 11281 1 1088 . 1 1 95 95 THR HB H 1 4.236 0.030 . 1 . . . . 95 THR HB . 11281 1 1089 . 1 1 95 95 THR HG21 H 1 1.201 0.030 . 1 . . . . 95 THR HG2 . 11281 1 1090 . 1 1 95 95 THR HG22 H 1 1.201 0.030 . 1 . . . . 95 THR HG2 . 11281 1 1091 . 1 1 95 95 THR HG23 H 1 1.201 0.030 . 1 . . . . 95 THR HG2 . 11281 1 1092 . 1 1 95 95 THR C C 13 174.552 0.300 . 1 . . . . 95 THR C . 11281 1 1093 . 1 1 95 95 THR CA C 13 61.830 0.300 . 1 . . . . 95 THR CA . 11281 1 1094 . 1 1 95 95 THR CB C 13 69.817 0.300 . 1 . . . . 95 THR CB . 11281 1 1095 . 1 1 95 95 THR CG2 C 13 21.594 0.300 . 1 . . . . 95 THR CG2 . 11281 1 1096 . 1 1 95 95 THR N N 15 111.890 0.300 . 1 . . . . 95 THR N . 11281 1 1097 . 1 1 96 96 SER H H 1 8.229 0.030 . 1 . . . . 96 SER H . 11281 1 1098 . 1 1 96 96 SER HA H 1 4.495 0.030 . 1 . . . . 96 SER HA . 11281 1 1099 . 1 1 96 96 SER HB2 H 1 3.846 0.030 . 1 . . . . 96 SER HB2 . 11281 1 1100 . 1 1 96 96 SER HB3 H 1 3.846 0.030 . 1 . . . . 96 SER HB3 . 11281 1 1101 . 1 1 96 96 SER C C 13 174.032 0.300 . 1 . . . . 96 SER C . 11281 1 1102 . 1 1 96 96 SER CA C 13 58.337 0.300 . 1 . . . . 96 SER CA . 11281 1 1103 . 1 1 96 96 SER CB C 13 63.959 0.300 . 1 . . . . 96 SER CB . 11281 1 1104 . 1 1 96 96 SER N N 15 117.973 0.300 . 1 . . . . 96 SER N . 11281 1 1105 . 1 1 97 97 ILE H H 1 8.075 0.030 . 1 . . . . 97 ILE H . 11281 1 1106 . 1 1 97 97 ILE HA H 1 4.197 0.030 . 1 . . . . 97 ILE HA . 11281 1 1107 . 1 1 97 97 ILE HB H 1 1.794 0.030 . 1 . . . . 97 ILE HB . 11281 1 1108 . 1 1 97 97 ILE HD11 H 1 0.826 0.030 . 1 . . . . 97 ILE HD1 . 11281 1 1109 . 1 1 97 97 ILE HD12 H 1 0.826 0.030 . 1 . . . . 97 ILE HD1 . 11281 1 1110 . 1 1 97 97 ILE HD13 H 1 0.826 0.030 . 1 . . . . 97 ILE HD1 . 11281 1 1111 . 1 1 97 97 ILE HG12 H 1 1.431 0.030 . 2 . . . . 97 ILE HG12 . 11281 1 1112 . 1 1 97 97 ILE HG13 H 1 1.118 0.030 . 2 . . . . 97 ILE HG13 . 11281 1 1113 . 1 1 97 97 ILE HG21 H 1 0.763 0.030 . 1 . . . . 97 ILE HG2 . 11281 1 1114 . 1 1 97 97 ILE HG22 H 1 0.763 0.030 . 1 . . . . 97 ILE HG2 . 11281 1 1115 . 1 1 97 97 ILE HG23 H 1 0.763 0.030 . 1 . . . . 97 ILE HG2 . 11281 1 1116 . 1 1 97 97 ILE C C 13 175.896 0.300 . 1 . . . . 97 ILE C . 11281 1 1117 . 1 1 97 97 ILE CA C 13 61.130 0.300 . 1 . . . . 97 ILE CA . 11281 1 1118 . 1 1 97 97 ILE CB C 13 38.722 0.300 . 1 . . . . 97 ILE CB . 11281 1 1119 . 1 1 97 97 ILE CD1 C 13 12.875 0.300 . 1 . . . . 97 ILE CD1 . 11281 1 1120 . 1 1 97 97 ILE CG1 C 13 27.407 0.300 . 1 . . . . 97 ILE CG1 . 11281 1 1121 . 1 1 97 97 ILE CG2 C 13 17.368 0.300 . 1 . . . . 97 ILE CG2 . 11281 1 1122 . 1 1 97 97 ILE N N 15 122.708 0.300 . 1 . . . . 97 ILE N . 11281 1 1123 . 1 1 98 98 VAL H H 1 8.234 0.030 . 1 . . . . 98 VAL H . 11281 1 1124 . 1 1 98 98 VAL HA H 1 4.089 0.030 . 1 . . . . 98 VAL HA . 11281 1 1125 . 1 1 98 98 VAL HB H 1 1.971 0.030 . 1 . . . . 98 VAL HB . 11281 1 1126 . 1 1 98 98 VAL HG11 H 1 0.868 0.030 . 1 . . . . 98 VAL HG1 . 11281 1 1127 . 1 1 98 98 VAL HG12 H 1 0.868 0.030 . 1 . . . . 98 VAL HG1 . 11281 1 1128 . 1 1 98 98 VAL HG13 H 1 0.868 0.030 . 1 . . . . 98 VAL HG1 . 11281 1 1129 . 1 1 98 98 VAL HG21 H 1 0.870 0.030 . 1 . . . . 98 VAL HG2 . 11281 1 1130 . 1 1 98 98 VAL HG22 H 1 0.870 0.030 . 1 . . . . 98 VAL HG2 . 11281 1 1131 . 1 1 98 98 VAL HG23 H 1 0.870 0.030 . 1 . . . . 98 VAL HG2 . 11281 1 1132 . 1 1 98 98 VAL C C 13 175.644 0.300 . 1 . . . . 98 VAL C . 11281 1 1133 . 1 1 98 98 VAL CA C 13 62.057 0.300 . 1 . . . . 98 VAL CA . 11281 1 1134 . 1 1 98 98 VAL CB C 13 32.843 0.300 . 1 . . . . 98 VAL CB . 11281 1 1135 . 1 1 98 98 VAL CG1 C 13 20.627 0.300 . 2 . . . . 98 VAL CG1 . 11281 1 1136 . 1 1 98 98 VAL CG2 C 13 20.598 0.300 . 2 . . . . 98 VAL CG2 . 11281 1 1137 . 1 1 98 98 VAL N N 15 124.753 0.300 . 1 . . . . 98 VAL N . 11281 1 1138 . 1 1 99 99 HIS H H 1 8.452 0.030 . 1 . . . . 99 HIS H . 11281 1 1139 . 1 1 99 99 HIS HD2 H 1 7.035 0.030 . 1 . . . . 99 HIS HD2 . 11281 1 1140 . 1 1 99 99 HIS HE1 H 1 7.881 0.030 . 1 . . . . 99 HIS HE1 . 11281 1 1141 . 1 1 99 99 HIS C C 13 175.461 0.300 . 1 . . . . 99 HIS C . 11281 1 1142 . 1 1 99 99 HIS CA C 13 56.114 0.300 . 1 . . . . 99 HIS CA . 11281 1 1143 . 1 1 99 99 HIS CB C 13 30.948 0.300 . 1 . . . . 99 HIS CB . 11281 1 1144 . 1 1 99 99 HIS CD2 C 13 119.895 0.300 . 1 . . . . 99 HIS CD2 . 11281 1 1145 . 1 1 99 99 HIS CE1 C 13 138.020 0.300 . 1 . . . . 99 HIS CE1 . 11281 1 1146 . 1 1 99 99 HIS N N 15 124.165 0.300 . 1 . . . . 99 HIS N . 11281 1 1147 . 1 1 102 102 SER HA H 1 4.470 0.030 . 1 . . . . 102 SER HA . 11281 1 1148 . 1 1 102 102 SER HB2 H 1 3.897 0.030 . 1 . . . . 102 SER HB2 . 11281 1 1149 . 1 1 102 102 SER HB3 H 1 3.897 0.030 . 1 . . . . 102 SER HB3 . 11281 1 1150 . 1 1 102 102 SER C C 13 174.957 0.300 . 1 . . . . 102 SER C . 11281 1 1151 . 1 1 102 102 SER CA C 13 58.719 0.300 . 1 . . . . 102 SER CA . 11281 1 1152 . 1 1 102 102 SER CB C 13 63.762 0.300 . 1 . . . . 102 SER CB . 11281 1 1153 . 1 1 103 103 GLY H H 1 8.262 0.030 . 1 . . . . 103 GLY H . 11281 1 1154 . 1 1 103 103 GLY HA2 H 1 4.008 0.030 . 2 . . . . 103 GLY HA2 . 11281 1 1155 . 1 1 103 103 GLY HA3 H 1 3.903 0.030 . 2 . . . . 103 GLY HA3 . 11281 1 1156 . 1 1 103 103 GLY C C 13 173.810 0.300 . 1 . . . . 103 GLY C . 11281 1 1157 . 1 1 103 103 GLY CA C 13 45.318 0.300 . 1 . . . . 103 GLY CA . 11281 1 1158 . 1 1 103 103 GLY N N 15 110.572 0.300 . 1 . . . . 103 GLY N . 11281 1 1159 . 1 1 104 104 ASP H H 1 8.122 0.030 . 1 . . . . 104 ASP H . 11281 1 1160 . 1 1 104 104 ASP HA H 1 4.610 0.030 . 1 . . . . 104 ASP HA . 11281 1 1161 . 1 1 104 104 ASP HB2 H 1 2.532 0.030 . 2 . . . . 104 ASP HB2 . 11281 1 1162 . 1 1 104 104 ASP HB3 H 1 2.646 0.030 . 2 . . . . 104 ASP HB3 . 11281 1 1163 . 1 1 104 104 ASP C C 13 176.127 0.300 . 1 . . . . 104 ASP C . 11281 1 1164 . 1 1 104 104 ASP CA C 13 54.521 0.300 . 1 . . . . 104 ASP CA . 11281 1 1165 . 1 1 104 104 ASP CB C 13 41.319 0.300 . 1 . . . . 104 ASP CB . 11281 1 1166 . 1 1 104 104 ASP N N 15 120.548 0.300 . 1 . . . . 104 ASP N . 11281 1 1167 . 1 1 105 105 ILE H H 1 8.116 0.030 . 1 . . . . 105 ILE H . 11281 1 1168 . 1 1 105 105 ILE HA H 1 4.143 0.030 . 1 . . . . 105 ILE HA . 11281 1 1169 . 1 1 105 105 ILE HB H 1 1.839 0.030 . 1 . . . . 105 ILE HB . 11281 1 1170 . 1 1 105 105 ILE HD11 H 1 0.831 0.030 . 1 . . . . 105 ILE HD1 . 11281 1 1171 . 1 1 105 105 ILE HD12 H 1 0.831 0.030 . 1 . . . . 105 ILE HD1 . 11281 1 1172 . 1 1 105 105 ILE HD13 H 1 0.831 0.030 . 1 . . . . 105 ILE HD1 . 11281 1 1173 . 1 1 105 105 ILE HG12 H 1 1.431 0.030 . 2 . . . . 105 ILE HG12 . 11281 1 1174 . 1 1 105 105 ILE HG13 H 1 1.117 0.030 . 2 . . . . 105 ILE HG13 . 11281 1 1175 . 1 1 105 105 ILE HG21 H 1 0.854 0.030 . 1 . . . . 105 ILE HG2 . 11281 1 1176 . 1 1 105 105 ILE HG22 H 1 0.854 0.030 . 1 . . . . 105 ILE HG2 . 11281 1 1177 . 1 1 105 105 ILE HG23 H 1 0.854 0.030 . 1 . . . . 105 ILE HG2 . 11281 1 1178 . 1 1 105 105 ILE C C 13 175.831 0.300 . 1 . . . . 105 ILE C . 11281 1 1179 . 1 1 105 105 ILE CA C 13 61.148 0.300 . 1 . . . . 105 ILE CA . 11281 1 1180 . 1 1 105 105 ILE CB C 13 38.788 0.300 . 1 . . . . 105 ILE CB . 11281 1 1181 . 1 1 105 105 ILE CD1 C 13 13.041 0.300 . 1 . . . . 105 ILE CD1 . 11281 1 1182 . 1 1 105 105 ILE CG1 C 13 27.075 0.300 . 1 . . . . 105 ILE CG1 . 11281 1 1183 . 1 1 105 105 ILE CG2 C 13 17.691 0.300 . 1 . . . . 105 ILE CG2 . 11281 1 1184 . 1 1 105 105 ILE N N 15 120.900 0.300 . 1 . . . . 105 ILE N . 11281 1 1185 . 1 1 106 106 LEU H H 1 8.318 0.030 . 1 . . . . 106 LEU H . 11281 1 1186 . 1 1 106 106 LEU HA H 1 4.383 0.030 . 1 . . . . 106 LEU HA . 11281 1 1187 . 1 1 106 106 LEU HB2 H 1 1.546 0.030 . 2 . . . . 106 LEU HB2 . 11281 1 1188 . 1 1 106 106 LEU HB3 H 1 1.589 0.030 . 2 . . . . 106 LEU HB3 . 11281 1 1189 . 1 1 106 106 LEU HD11 H 1 0.894 0.030 . 1 . . . . 106 LEU HD1 . 11281 1 1190 . 1 1 106 106 LEU HD12 H 1 0.894 0.030 . 1 . . . . 106 LEU HD1 . 11281 1 1191 . 1 1 106 106 LEU HD13 H 1 0.894 0.030 . 1 . . . . 106 LEU HD1 . 11281 1 1192 . 1 1 106 106 LEU HD21 H 1 0.834 0.030 . 1 . . . . 106 LEU HD2 . 11281 1 1193 . 1 1 106 106 LEU HD22 H 1 0.834 0.030 . 1 . . . . 106 LEU HD2 . 11281 1 1194 . 1 1 106 106 LEU HD23 H 1 0.834 0.030 . 1 . . . . 106 LEU HD2 . 11281 1 1195 . 1 1 106 106 LEU HG H 1 1.562 0.030 . 1 . . . . 106 LEU HG . 11281 1 1196 . 1 1 106 106 LEU C C 13 176.648 0.300 . 1 . . . . 106 LEU C . 11281 1 1197 . 1 1 106 106 LEU CA C 13 54.915 0.300 . 1 . . . . 106 LEU CA . 11281 1 1198 . 1 1 106 106 LEU CB C 13 42.537 0.300 . 1 . . . . 106 LEU CB . 11281 1 1199 . 1 1 106 106 LEU CD1 C 13 24.779 0.300 . 2 . . . . 106 LEU CD1 . 11281 1 1200 . 1 1 106 106 LEU CD2 C 13 23.800 0.300 . 2 . . . . 106 LEU CD2 . 11281 1 1201 . 1 1 106 106 LEU CG C 13 26.992 0.300 . 1 . . . . 106 LEU CG . 11281 1 1202 . 1 1 106 106 LEU N N 15 126.427 0.300 . 1 . . . . 106 LEU N . 11281 1 1203 . 1 1 107 107 MET H H 1 8.353 0.030 . 1 . . . . 107 MET H . 11281 1 1204 . 1 1 107 107 MET HA H 1 4.549 0.030 . 1 . . . . 107 MET HA . 11281 1 1205 . 1 1 107 107 MET HB2 H 1 1.962 0.030 . 1 . . . . 107 MET HB2 . 11281 1 1206 . 1 1 107 107 MET HB3 H 1 1.962 0.030 . 1 . . . . 107 MET HB3 . 11281 1 1207 . 1 1 107 107 MET HE1 H 1 2.065 0.030 . 1 . . . . 107 MET HE . 11281 1 1208 . 1 1 107 107 MET HE2 H 1 2.065 0.030 . 1 . . . . 107 MET HE . 11281 1 1209 . 1 1 107 107 MET HE3 H 1 2.065 0.030 . 1 . . . . 107 MET HE . 11281 1 1210 . 1 1 107 107 MET HG2 H 1 2.475 0.030 . 2 . . . . 107 MET HG2 . 11281 1 1211 . 1 1 107 107 MET HG3 H 1 2.549 0.030 . 2 . . . . 107 MET HG3 . 11281 1 1212 . 1 1 107 107 MET C C 13 175.593 0.300 . 1 . . . . 107 MET C . 11281 1 1213 . 1 1 107 107 MET CA C 13 55.016 0.300 . 1 . . . . 107 MET CA . 11281 1 1214 . 1 1 107 107 MET CB C 13 32.704 0.300 . 1 . . . . 107 MET CB . 11281 1 1215 . 1 1 107 107 MET CE C 13 17.084 0.300 . 1 . . . . 107 MET CE . 11281 1 1216 . 1 1 107 107 MET CG C 13 31.975 0.300 . 1 . . . . 107 MET CG . 11281 1 1217 . 1 1 107 107 MET N N 15 122.573 0.300 . 1 . . . . 107 MET N . 11281 1 1218 . 1 1 108 108 ILE H H 1 8.132 0.030 . 1 . . . . 108 ILE H . 11281 1 1219 . 1 1 108 108 ILE HA H 1 4.229 0.030 . 1 . . . . 108 ILE HA . 11281 1 1220 . 1 1 108 108 ILE HB H 1 1.868 0.030 . 1 . . . . 108 ILE HB . 11281 1 1221 . 1 1 108 108 ILE HD11 H 1 1.130 0.030 . 1 . . . . 108 ILE HD1 . 11281 1 1222 . 1 1 108 108 ILE HD12 H 1 1.130 0.030 . 1 . . . . 108 ILE HD1 . 11281 1 1223 . 1 1 108 108 ILE HD13 H 1 1.130 0.030 . 1 . . . . 108 ILE HD1 . 11281 1 1224 . 1 1 108 108 ILE HG12 H 1 1.424 0.030 . 2 . . . . 108 ILE HG12 . 11281 1 1225 . 1 1 108 108 ILE HG21 H 1 0.887 0.030 . 1 . . . . 108 ILE HG2 . 11281 1 1226 . 1 1 108 108 ILE HG22 H 1 0.887 0.030 . 1 . . . . 108 ILE HG2 . 11281 1 1227 . 1 1 108 108 ILE HG23 H 1 0.887 0.030 . 1 . . . . 108 ILE HG2 . 11281 1 1228 . 1 1 108 108 ILE C C 13 174.962 0.300 . 1 . . . . 108 ILE C . 11281 1 1229 . 1 1 108 108 ILE CA C 13 60.953 0.300 . 1 . . . . 108 ILE CA . 11281 1 1230 . 1 1 108 108 ILE CB C 13 39.247 0.300 . 1 . . . . 108 ILE CB . 11281 1 1231 . 1 1 108 108 ILE CD1 C 13 13.064 0.300 . 1 . . . . 108 ILE CD1 . 11281 1 1232 . 1 1 108 108 ILE CG1 C 13 26.494 0.300 . 1 . . . . 108 ILE CG1 . 11281 1 1233 . 1 1 108 108 ILE CG2 C 13 17.691 0.300 . 1 . . . . 108 ILE CG2 . 11281 1 1234 . 1 1 108 108 ILE N N 15 122.240 0.300 . 1 . . . . 108 ILE N . 11281 1 1235 . 1 1 109 109 ASP H H 1 7.965 0.030 . 1 . . . . 109 ASP H . 11281 1 1236 . 1 1 109 109 ASP HA H 1 4.359 0.030 . 1 . . . . 109 ASP HA . 11281 1 1237 . 1 1 109 109 ASP HB2 H 1 2.532 0.030 . 2 . . . . 109 ASP HB2 . 11281 1 1238 . 1 1 109 109 ASP HB3 H 1 2.632 0.030 . 2 . . . . 109 ASP HB3 . 11281 1 1239 . 1 1 109 109 ASP C C 13 180.765 0.300 . 1 . . . . 109 ASP C . 11281 1 1240 . 1 1 109 109 ASP CA C 13 55.987 0.300 . 1 . . . . 109 ASP CA . 11281 1 1241 . 1 1 109 109 ASP CB C 13 42.377 0.300 . 1 . . . . 109 ASP CB . 11281 1 1242 . 1 1 109 109 ASP N N 15 129.608 0.300 . 1 . . . . 109 ASP N . 11281 1 stop_ save_