data_10064 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10064 _Entry.Title ; Solution Structure of The forth PDZ Domain of Human Atrophin-1 Interacting Protein 1 (KIAA0705 Protein) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-25 _Entry.Accession_date 2006-12-26 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 10064 2 T. Kigawa . . . 10064 3 S. Koshiba . . . 10064 4 M. Inoue . . . 10064 5 S. Yokoyama . . . 10064 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10064 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10064 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 467 10064 '15N chemical shifts' 109 10064 '1H chemical shifts' 759 10064 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-14 2006-12-25 original author . 10064 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UEW 'BMRB Entry Tracking System' 10064 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10064 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of The forth PDZ Domain of Human Atrophin-1 Interacting Protein 1 (KIAA0705 Protein) ; _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 T. Tomizawa . . . 10064 1 2 T. Kigawa . . . 10064 1 3 S. Koshiba . . . 10064 1 4 M. Inoue . . . 10064 1 5 S. Yokoyama . . . 10064 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10064 _Assembly.ID 1 _Assembly.Name 'MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2 (MAGI-2)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10064 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2 (MAGI-2)' 1 $entity_1 . . yes native no no . . . 10064 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1UEW . . . . . . 10064 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10064 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ Domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGSLQTSDVVIHRKE NEGFGFVIISSLNRPESGST ITVPHKIGRIIDGSPADRCA KLKVGDRILAVNGQSIINMP HADIVKLIKDAGLSVTLRII PQEELNSPSGPSSG ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UEW . "Solution Structure Of The Forth Pdz Domain Of Human Atrophin-1 Interacting Protein 1 (Kiaa0705 Protein)" . . . . . 100.00 114 100.00 100.00 1.21e-72 . . . . 10064 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ Domain' . 10064 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 . 10064 1 2 . SER . 10064 1 3 . SER . 10064 1 4 . GLY . 10064 1 5 . SER . 10064 1 6 . SER . 10064 1 7 . GLY . 10064 1 8 . SER . 10064 1 9 . LEU . 10064 1 10 . GLN . 10064 1 11 . THR . 10064 1 12 . SER . 10064 1 13 . ASP . 10064 1 14 . VAL . 10064 1 15 . VAL . 10064 1 16 . ILE . 10064 1 17 . HIS . 10064 1 18 . ARG . 10064 1 19 . LYS . 10064 1 20 . GLU . 10064 1 21 . ASN . 10064 1 22 . GLU . 10064 1 23 . GLY . 10064 1 24 . PHE . 10064 1 25 . GLY . 10064 1 26 . PHE . 10064 1 27 . VAL . 10064 1 28 . ILE . 10064 1 29 . ILE . 10064 1 30 . SER . 10064 1 31 . SER . 10064 1 32 . LEU . 10064 1 33 . ASN . 10064 1 34 . ARG . 10064 1 35 . PRO . 10064 1 36 . GLU . 10064 1 37 . SER . 10064 1 38 . GLY . 10064 1 39 . SER . 10064 1 40 . THR . 10064 1 41 . ILE . 10064 1 42 . THR . 10064 1 43 . VAL . 10064 1 44 . PRO . 10064 1 45 . HIS . 10064 1 46 . LYS . 10064 1 47 . ILE . 10064 1 48 . GLY . 10064 1 49 . ARG . 10064 1 50 . ILE . 10064 1 51 . ILE . 10064 1 52 . ASP . 10064 1 53 . GLY . 10064 1 54 . SER . 10064 1 55 . PRO . 10064 1 56 . ALA . 10064 1 57 . ASP . 10064 1 58 . ARG . 10064 1 59 . CYS . 10064 1 60 . ALA . 10064 1 61 . LYS . 10064 1 62 . LEU . 10064 1 63 . LYS . 10064 1 64 . VAL . 10064 1 65 . GLY . 10064 1 66 . ASP . 10064 1 67 . ARG . 10064 1 68 . ILE . 10064 1 69 . LEU . 10064 1 70 . ALA . 10064 1 71 . VAL . 10064 1 72 . ASN . 10064 1 73 . GLY . 10064 1 74 . GLN . 10064 1 75 . SER . 10064 1 76 . ILE . 10064 1 77 . ILE . 10064 1 78 . ASN . 10064 1 79 . MET . 10064 1 80 . PRO . 10064 1 81 . HIS . 10064 1 82 . ALA . 10064 1 83 . ASP . 10064 1 84 . ILE . 10064 1 85 . VAL . 10064 1 86 . LYS . 10064 1 87 . LEU . 10064 1 88 . ILE . 10064 1 89 . LYS . 10064 1 90 . ASP . 10064 1 91 . ALA . 10064 1 92 . GLY . 10064 1 93 . LEU . 10064 1 94 . SER . 10064 1 95 . VAL . 10064 1 96 . THR . 10064 1 97 . LEU . 10064 1 98 . ARG . 10064 1 99 . ILE . 10064 1 100 . ILE . 10064 1 101 . PRO . 10064 1 102 . GLN . 10064 1 103 . GLU . 10064 1 104 . GLU . 10064 1 105 . LEU . 10064 1 106 . ASN . 10064 1 107 . SER . 10064 1 108 . PRO . 10064 1 109 . SER . 10064 1 110 . GLY . 10064 1 111 . PRO . 10064 1 112 . SER . 10064 1 113 . SER . 10064 1 114 . GLY . 10064 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 10064 1 . SER 2 2 10064 1 . SER 3 3 10064 1 . GLY 4 4 10064 1 . SER 5 5 10064 1 . SER 6 6 10064 1 . GLY 7 7 10064 1 . SER 8 8 10064 1 . LEU 9 9 10064 1 . GLN 10 10 10064 1 . THR 11 11 10064 1 . SER 12 12 10064 1 . ASP 13 13 10064 1 . VAL 14 14 10064 1 . VAL 15 15 10064 1 . ILE 16 16 10064 1 . HIS 17 17 10064 1 . ARG 18 18 10064 1 . LYS 19 19 10064 1 . GLU 20 20 10064 1 . ASN 21 21 10064 1 . GLU 22 22 10064 1 . GLY 23 23 10064 1 . PHE 24 24 10064 1 . GLY 25 25 10064 1 . PHE 26 26 10064 1 . VAL 27 27 10064 1 . ILE 28 28 10064 1 . ILE 29 29 10064 1 . SER 30 30 10064 1 . SER 31 31 10064 1 . LEU 32 32 10064 1 . ASN 33 33 10064 1 . ARG 34 34 10064 1 . PRO 35 35 10064 1 . GLU 36 36 10064 1 . SER 37 37 10064 1 . GLY 38 38 10064 1 . SER 39 39 10064 1 . THR 40 40 10064 1 . ILE 41 41 10064 1 . THR 42 42 10064 1 . VAL 43 43 10064 1 . PRO 44 44 10064 1 . HIS 45 45 10064 1 . LYS 46 46 10064 1 . ILE 47 47 10064 1 . GLY 48 48 10064 1 . ARG 49 49 10064 1 . ILE 50 50 10064 1 . ILE 51 51 10064 1 . ASP 52 52 10064 1 . GLY 53 53 10064 1 . SER 54 54 10064 1 . PRO 55 55 10064 1 . ALA 56 56 10064 1 . ASP 57 57 10064 1 . ARG 58 58 10064 1 . CYS 59 59 10064 1 . ALA 60 60 10064 1 . LYS 61 61 10064 1 . LEU 62 62 10064 1 . LYS 63 63 10064 1 . VAL 64 64 10064 1 . GLY 65 65 10064 1 . ASP 66 66 10064 1 . ARG 67 67 10064 1 . ILE 68 68 10064 1 . LEU 69 69 10064 1 . ALA 70 70 10064 1 . VAL 71 71 10064 1 . ASN 72 72 10064 1 . GLY 73 73 10064 1 . GLN 74 74 10064 1 . SER 75 75 10064 1 . ILE 76 76 10064 1 . ILE 77 77 10064 1 . ASN 78 78 10064 1 . MET 79 79 10064 1 . PRO 80 80 10064 1 . HIS 81 81 10064 1 . ALA 82 82 10064 1 . ASP 83 83 10064 1 . ILE 84 84 10064 1 . VAL 85 85 10064 1 . LYS 86 86 10064 1 . LEU 87 87 10064 1 . ILE 88 88 10064 1 . LYS 89 89 10064 1 . ASP 90 90 10064 1 . ALA 91 91 10064 1 . GLY 92 92 10064 1 . LEU 93 93 10064 1 . SER 94 94 10064 1 . VAL 95 95 10064 1 . THR 96 96 10064 1 . LEU 97 97 10064 1 . ARG 98 98 10064 1 . ILE 99 99 10064 1 . ILE 100 100 10064 1 . PRO 101 101 10064 1 . GLN 102 102 10064 1 . GLU 103 103 10064 1 . GLU 104 104 10064 1 . LEU 105 105 10064 1 . ASN 106 106 10064 1 . SER 107 107 10064 1 . PRO 108 108 10064 1 . SER 109 109 10064 1 . GLY 110 110 10064 1 . PRO 111 111 10064 1 . SER 112 112 10064 1 . SER 113 113 10064 1 . GLY 114 114 10064 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 10064 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10064 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 10064 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P021030-32 . . . . . . 10064 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10064 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.4 . . mM . . . . 10064 1 2 Tris-HCl(7.0) . . . . . . buffer 20 . . mM . . . . 10064 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10064 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10064 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10064 1 6 H2O . . . . . . solvent 90 . . % . . . . 10064 1 7 D2O . . . . . . solvent 10 . . % . . . . 10064 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 10064 _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 10064 1 pH 7.0 0.05 pH 10064 1 pressure 1 0.001 atm 10064 1 temperature 298 0.1 K 10064 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10064 _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 . . 10064 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10064 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10064 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10064 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10064 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10064 _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.' . . 10064 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10064 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10064 _Software.ID 4 _Software.Name Kujira _Software.Version 0.820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10064 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10064 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10064 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10064 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 10064 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 10064 _Software.ID 6 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Billeter, M.' . . 10064 6 'Guntert, P.' . . 10064 6 'Koradi, R.' . . 10064 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10064 6 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 10064 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10064 _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 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10064 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10064 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10064 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10064 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10064 _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 . . . . . . . . . 10064 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10064 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10064 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 10064 _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 10064 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10064 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 H H 1 8.179 0.030 . 1 . . . . 7 GLY H . 10064 1 2 . 1 1 7 7 GLY HA2 H 1 4.116 0.030 . 1 . . . . 7 GLY HA2 . 10064 1 3 . 1 1 7 7 GLY HA3 H 1 4.116 0.030 . 1 . . . . 7 GLY HA3 . 10064 1 4 . 1 1 7 7 GLY CA C 13 44.677 0.300 . 1 . . . . 7 GLY CA . 10064 1 5 . 1 1 7 7 GLY N N 15 110.640 0.300 . 1 . . . . 7 GLY N . 10064 1 6 . 1 1 8 8 SER HA H 1 4.481 0.030 . 1 . . . . 8 SER HA . 10064 1 7 . 1 1 8 8 SER HB2 H 1 3.864 0.030 . 1 . . . . 8 SER HB2 . 10064 1 8 . 1 1 8 8 SER HB3 H 1 3.864 0.030 . 1 . . . . 8 SER HB3 . 10064 1 9 . 1 1 8 8 SER C C 13 174.323 0.300 . 1 . . . . 8 SER C . 10064 1 10 . 1 1 8 8 SER CA C 13 58.155 0.300 . 1 . . . . 8 SER CA . 10064 1 11 . 1 1 8 8 SER CB C 13 63.878 0.300 . 1 . . . . 8 SER CB . 10064 1 12 . 1 1 9 9 LEU H H 1 8.232 0.030 . 1 . . . . 9 LEU H . 10064 1 13 . 1 1 9 9 LEU HA H 1 4.398 0.030 . 1 . . . . 9 LEU HA . 10064 1 14 . 1 1 9 9 LEU HB2 H 1 1.525 0.030 . 1 . . . . 9 LEU HB2 . 10064 1 15 . 1 1 9 9 LEU HB3 H 1 1.525 0.030 . 1 . . . . 9 LEU HB3 . 10064 1 16 . 1 1 9 9 LEU HG H 1 1.630 0.030 . 1 . . . . 9 LEU HG . 10064 1 17 . 1 1 9 9 LEU HD11 H 1 0.917 0.030 . 1 . . . . 9 LEU HD1 . 10064 1 18 . 1 1 9 9 LEU HD12 H 1 0.917 0.030 . 1 . . . . 9 LEU HD1 . 10064 1 19 . 1 1 9 9 LEU HD13 H 1 0.917 0.030 . 1 . . . . 9 LEU HD1 . 10064 1 20 . 1 1 9 9 LEU HD21 H 1 0.862 0.030 . 1 . . . . 9 LEU HD2 . 10064 1 21 . 1 1 9 9 LEU HD22 H 1 0.862 0.030 . 1 . . . . 9 LEU HD2 . 10064 1 22 . 1 1 9 9 LEU HD23 H 1 0.862 0.030 . 1 . . . . 9 LEU HD2 . 10064 1 23 . 1 1 9 9 LEU C C 13 176.839 0.300 . 1 . . . . 9 LEU C . 10064 1 24 . 1 1 9 9 LEU CA C 13 55.026 0.300 . 1 . . . . 9 LEU CA . 10064 1 25 . 1 1 9 9 LEU CB C 13 42.620 0.300 . 1 . . . . 9 LEU CB . 10064 1 26 . 1 1 9 9 LEU CG C 13 27.006 0.300 . 1 . . . . 9 LEU CG . 10064 1 27 . 1 1 9 9 LEU CD1 C 13 25.217 0.300 . 2 . . . . 9 LEU CD1 . 10064 1 28 . 1 1 9 9 LEU CD2 C 13 23.814 0.300 . 2 . . . . 9 LEU CD2 . 10064 1 29 . 1 1 9 9 LEU N N 15 123.770 0.300 . 1 . . . . 9 LEU N . 10064 1 30 . 1 1 10 10 GLN H H 1 8.510 0.030 . 1 . . . . 10 GLN H . 10064 1 31 . 1 1 10 10 GLN HA H 1 4.428 0.030 . 1 . . . . 10 GLN HA . 10064 1 32 . 1 1 10 10 GLN HB2 H 1 1.988 0.030 . 2 . . . . 10 GLN HB2 . 10064 1 33 . 1 1 10 10 GLN HB3 H 1 2.112 0.030 . 2 . . . . 10 GLN HB3 . 10064 1 34 . 1 1 10 10 GLN HG2 H 1 2.379 0.030 . 1 . . . . 10 GLN HG2 . 10064 1 35 . 1 1 10 10 GLN HG3 H 1 2.379 0.030 . 1 . . . . 10 GLN HG3 . 10064 1 36 . 1 1 10 10 GLN HE21 H 1 6.869 0.030 . 2 . . . . 10 GLN HE21 . 10064 1 37 . 1 1 10 10 GLN HE22 H 1 7.565 0.030 . 2 . . . . 10 GLN HE22 . 10064 1 38 . 1 1 10 10 GLN C C 13 175.484 0.300 . 1 . . . . 10 GLN C . 10064 1 39 . 1 1 10 10 GLN CA C 13 55.703 0.300 . 1 . . . . 10 GLN CA . 10064 1 40 . 1 1 10 10 GLN CB C 13 29.482 0.300 . 1 . . . . 10 GLN CB . 10064 1 41 . 1 1 10 10 GLN CG C 13 34.001 0.300 . 1 . . . . 10 GLN CG . 10064 1 42 . 1 1 10 10 GLN N N 15 122.944 0.300 . 1 . . . . 10 GLN N . 10064 1 43 . 1 1 10 10 GLN NE2 N 15 112.905 0.300 . 1 . . . . 10 GLN NE2 . 10064 1 44 . 1 1 11 11 THR H H 1 7.850 0.030 . 1 . . . . 11 THR H . 10064 1 45 . 1 1 11 11 THR HA H 1 5.023 0.030 . 1 . . . . 11 THR HA . 10064 1 46 . 1 1 11 11 THR HB H 1 4.116 0.030 . 1 . . . . 11 THR HB . 10064 1 47 . 1 1 11 11 THR HG21 H 1 1.033 0.030 . 1 . . . . 11 THR HG2 . 10064 1 48 . 1 1 11 11 THR HG22 H 1 1.033 0.030 . 1 . . . . 11 THR HG2 . 10064 1 49 . 1 1 11 11 THR HG23 H 1 1.033 0.030 . 1 . . . . 11 THR HG2 . 10064 1 50 . 1 1 11 11 THR C C 13 174.637 0.300 . 1 . . . . 11 THR C . 10064 1 51 . 1 1 11 11 THR CA C 13 60.397 0.300 . 1 . . . . 11 THR CA . 10064 1 52 . 1 1 11 11 THR CB C 13 71.541 0.300 . 1 . . . . 11 THR CB . 10064 1 53 . 1 1 11 11 THR CG2 C 13 21.876 0.300 . 1 . . . . 11 THR CG2 . 10064 1 54 . 1 1 11 11 THR N N 15 112.581 0.300 . 1 . . . . 11 THR N . 10064 1 55 . 1 1 12 12 SER H H 1 8.741 0.030 . 1 . . . . 12 SER H . 10064 1 56 . 1 1 12 12 SER HA H 1 4.729 0.030 . 1 . . . . 12 SER HA . 10064 1 57 . 1 1 12 12 SER HB2 H 1 3.571 0.030 . 2 . . . . 12 SER HB2 . 10064 1 58 . 1 1 12 12 SER HB3 H 1 3.682 0.030 . 2 . . . . 12 SER HB3 . 10064 1 59 . 1 1 12 12 SER C C 13 172.144 0.300 . 1 . . . . 12 SER C . 10064 1 60 . 1 1 12 12 SER CA C 13 57.594 0.300 . 1 . . . . 12 SER CA . 10064 1 61 . 1 1 12 12 SER CB C 13 65.877 0.300 . 1 . . . . 12 SER CB . 10064 1 62 . 1 1 12 12 SER N N 15 115.276 0.300 . 1 . . . . 12 SER N . 10064 1 63 . 1 1 13 13 ASP H H 1 8.456 0.030 . 1 . . . . 13 ASP H . 10064 1 64 . 1 1 13 13 ASP HA H 1 5.615 0.030 . 1 . . . . 13 ASP HA . 10064 1 65 . 1 1 13 13 ASP HB2 H 1 2.531 0.030 . 2 . . . . 13 ASP HB2 . 10064 1 66 . 1 1 13 13 ASP HB3 H 1 2.128 0.030 . 2 . . . . 13 ASP HB3 . 10064 1 67 . 1 1 13 13 ASP C C 13 176.059 0.300 . 1 . . . . 13 ASP C . 10064 1 68 . 1 1 13 13 ASP CA C 13 53.377 0.300 . 1 . . . . 13 ASP CA . 10064 1 69 . 1 1 13 13 ASP CB C 13 41.629 0.300 . 1 . . . . 13 ASP CB . 10064 1 70 . 1 1 13 13 ASP N N 15 124.045 0.300 . 1 . . . . 13 ASP N . 10064 1 71 . 1 1 14 14 VAL H H 1 9.315 0.030 . 1 . . . . 14 VAL H . 10064 1 72 . 1 1 14 14 VAL HA H 1 4.178 0.030 . 1 . . . . 14 VAL HA . 10064 1 73 . 1 1 14 14 VAL HB H 1 1.834 0.030 . 1 . . . . 14 VAL HB . 10064 1 74 . 1 1 14 14 VAL HG11 H 1 0.787 0.030 . 1 . . . . 14 VAL HG1 . 10064 1 75 . 1 1 14 14 VAL HG12 H 1 0.787 0.030 . 1 . . . . 14 VAL HG1 . 10064 1 76 . 1 1 14 14 VAL HG13 H 1 0.787 0.030 . 1 . . . . 14 VAL HG1 . 10064 1 77 . 1 1 14 14 VAL HG21 H 1 0.829 0.030 . 1 . . . . 14 VAL HG2 . 10064 1 78 . 1 1 14 14 VAL HG22 H 1 0.829 0.030 . 1 . . . . 14 VAL HG2 . 10064 1 79 . 1 1 14 14 VAL HG23 H 1 0.829 0.030 . 1 . . . . 14 VAL HG2 . 10064 1 80 . 1 1 14 14 VAL C C 13 173.697 0.300 . 1 . . . . 14 VAL C . 10064 1 81 . 1 1 14 14 VAL CA C 13 61.627 0.300 . 1 . . . . 14 VAL CA . 10064 1 82 . 1 1 14 14 VAL CB C 13 34.824 0.300 . 1 . . . . 14 VAL CB . 10064 1 83 . 1 1 14 14 VAL CG1 C 13 21.864 0.300 . 2 . . . . 14 VAL CG1 . 10064 1 84 . 1 1 14 14 VAL CG2 C 13 21.043 0.300 . 2 . . . . 14 VAL CG2 . 10064 1 85 . 1 1 14 14 VAL N N 15 125.347 0.300 . 1 . . . . 14 VAL N . 10064 1 86 . 1 1 15 15 VAL H H 1 8.381 0.030 . 1 . . . . 15 VAL H . 10064 1 87 . 1 1 15 15 VAL HA H 1 4.752 0.030 . 1 . . . . 15 VAL HA . 10064 1 88 . 1 1 15 15 VAL HB H 1 1.869 0.030 . 1 . . . . 15 VAL HB . 10064 1 89 . 1 1 15 15 VAL HG11 H 1 0.892 0.030 . 1 . . . . 15 VAL HG1 . 10064 1 90 . 1 1 15 15 VAL HG12 H 1 0.892 0.030 . 1 . . . . 15 VAL HG1 . 10064 1 91 . 1 1 15 15 VAL HG13 H 1 0.892 0.030 . 1 . . . . 15 VAL HG1 . 10064 1 92 . 1 1 15 15 VAL HG21 H 1 0.615 0.030 . 1 . . . . 15 VAL HG2 . 10064 1 93 . 1 1 15 15 VAL HG22 H 1 0.615 0.030 . 1 . . . . 15 VAL HG2 . 10064 1 94 . 1 1 15 15 VAL HG23 H 1 0.615 0.030 . 1 . . . . 15 VAL HG2 . 10064 1 95 . 1 1 15 15 VAL C C 13 175.411 0.300 . 1 . . . . 15 VAL C . 10064 1 96 . 1 1 15 15 VAL CA C 13 61.167 0.300 . 1 . . . . 15 VAL CA . 10064 1 97 . 1 1 15 15 VAL CB C 13 32.737 0.300 . 1 . . . . 15 VAL CB . 10064 1 98 . 1 1 15 15 VAL CG1 C 13 20.978 0.300 . 2 . . . . 15 VAL CG1 . 10064 1 99 . 1 1 15 15 VAL CG2 C 13 20.762 0.300 . 2 . . . . 15 VAL CG2 . 10064 1 100 . 1 1 15 15 VAL N N 15 128.170 0.300 . 1 . . . . 15 VAL N . 10064 1 101 . 1 1 16 16 ILE H H 1 8.803 0.030 . 1 . . . . 16 ILE H . 10064 1 102 . 1 1 16 16 ILE HA H 1 4.381 0.030 . 1 . . . . 16 ILE HA . 10064 1 103 . 1 1 16 16 ILE HB H 1 1.609 0.030 . 1 . . . . 16 ILE HB . 10064 1 104 . 1 1 16 16 ILE HG12 H 1 1.455 0.030 . 2 . . . . 16 ILE HG12 . 10064 1 105 . 1 1 16 16 ILE HG13 H 1 0.975 0.030 . 2 . . . . 16 ILE HG13 . 10064 1 106 . 1 1 16 16 ILE HG21 H 1 1.038 0.030 . 1 . . . . 16 ILE HG2 . 10064 1 107 . 1 1 16 16 ILE HG22 H 1 1.038 0.030 . 1 . . . . 16 ILE HG2 . 10064 1 108 . 1 1 16 16 ILE HG23 H 1 1.038 0.030 . 1 . . . . 16 ILE HG2 . 10064 1 109 . 1 1 16 16 ILE HD11 H 1 0.616 0.030 . 1 . . . . 16 ILE HD1 . 10064 1 110 . 1 1 16 16 ILE HD12 H 1 0.616 0.030 . 1 . . . . 16 ILE HD1 . 10064 1 111 . 1 1 16 16 ILE HD13 H 1 0.616 0.030 . 1 . . . . 16 ILE HD1 . 10064 1 112 . 1 1 16 16 ILE C C 13 173.434 0.300 . 1 . . . . 16 ILE C . 10064 1 113 . 1 1 16 16 ILE CA C 13 60.537 0.300 . 1 . . . . 16 ILE CA . 10064 1 114 . 1 1 16 16 ILE CB C 13 40.355 0.300 . 1 . . . . 16 ILE CB . 10064 1 115 . 1 1 16 16 ILE CG1 C 13 27.611 0.300 . 1 . . . . 16 ILE CG1 . 10064 1 116 . 1 1 16 16 ILE CG2 C 13 20.471 0.300 . 1 . . . . 16 ILE CG2 . 10064 1 117 . 1 1 16 16 ILE CD1 C 13 15.273 0.300 . 1 . . . . 16 ILE CD1 . 10064 1 118 . 1 1 16 16 ILE N N 15 126.452 0.300 . 1 . . . . 16 ILE N . 10064 1 119 . 1 1 17 17 HIS H H 1 8.581 0.030 . 1 . . . . 17 HIS H . 10064 1 120 . 1 1 17 17 HIS HA H 1 5.677 0.030 . 1 . . . . 17 HIS HA . 10064 1 121 . 1 1 17 17 HIS HB2 H 1 3.132 0.030 . 2 . . . . 17 HIS HB2 . 10064 1 122 . 1 1 17 17 HIS HB3 H 1 2.965 0.030 . 2 . . . . 17 HIS HB3 . 10064 1 123 . 1 1 17 17 HIS HD2 H 1 7.036 0.030 . 1 . . . . 17 HIS HD2 . 10064 1 124 . 1 1 17 17 HIS HE1 H 1 7.752 0.030 . 1 . . . . 17 HIS HE1 . 10064 1 125 . 1 1 17 17 HIS C C 13 174.539 0.300 . 1 . . . . 17 HIS C . 10064 1 126 . 1 1 17 17 HIS CA C 13 55.059 0.300 . 1 . . . . 17 HIS CA . 10064 1 127 . 1 1 17 17 HIS CB C 13 33.244 0.300 . 1 . . . . 17 HIS CB . 10064 1 128 . 1 1 17 17 HIS CD2 C 13 119.483 0.300 . 1 . . . . 17 HIS CD2 . 10064 1 129 . 1 1 17 17 HIS CE1 C 13 138.334 0.300 . 1 . . . . 17 HIS CE1 . 10064 1 130 . 1 1 17 17 HIS N N 15 125.148 0.300 . 1 . . . . 17 HIS N . 10064 1 131 . 1 1 18 18 ARG H H 1 9.294 0.030 . 1 . . . . 18 ARG H . 10064 1 132 . 1 1 18 18 ARG HA H 1 4.979 0.030 . 1 . . . . 18 ARG HA . 10064 1 133 . 1 1 18 18 ARG HB2 H 1 1.645 0.030 . 2 . . . . 18 ARG HB2 . 10064 1 134 . 1 1 18 18 ARG HB3 H 1 0.893 0.030 . 2 . . . . 18 ARG HB3 . 10064 1 135 . 1 1 18 18 ARG HG2 H 1 1.185 0.030 . 1 . . . . 18 ARG HG2 . 10064 1 136 . 1 1 18 18 ARG HG3 H 1 1.185 0.030 . 1 . . . . 18 ARG HG3 . 10064 1 137 . 1 1 18 18 ARG HD2 H 1 3.022 0.030 . 2 . . . . 18 ARG HD2 . 10064 1 138 . 1 1 18 18 ARG HD3 H 1 0.395 0.030 . 2 . . . . 18 ARG HD3 . 10064 1 139 . 1 1 18 18 ARG HE H 1 5.665 0.030 . 1 . . . . 18 ARG HE . 10064 1 140 . 1 1 18 18 ARG C C 13 174.733 0.300 . 1 . . . . 18 ARG C . 10064 1 141 . 1 1 18 18 ARG CA C 13 52.819 0.300 . 1 . . . . 18 ARG CA . 10064 1 142 . 1 1 18 18 ARG CB C 13 34.174 0.300 . 1 . . . . 18 ARG CB . 10064 1 143 . 1 1 18 18 ARG CG C 13 26.512 0.300 . 1 . . . . 18 ARG CG . 10064 1 144 . 1 1 18 18 ARG CD C 13 41.530 0.300 . 1 . . . . 18 ARG CD . 10064 1 145 . 1 1 18 18 ARG N N 15 120.180 0.300 . 1 . . . . 18 ARG N . 10064 1 146 . 1 1 18 18 ARG NE N 15 85.877 0.300 . 1 . . . . 18 ARG NE . 10064 1 147 . 1 1 19 19 LYS H H 1 9.151 0.030 . 1 . . . . 19 LYS H . 10064 1 148 . 1 1 19 19 LYS HA H 1 4.528 0.030 . 1 . . . . 19 LYS HA . 10064 1 149 . 1 1 19 19 LYS HB2 H 1 1.957 0.030 . 2 . . . . 19 LYS HB2 . 10064 1 150 . 1 1 19 19 LYS HB3 H 1 1.620 0.030 . 2 . . . . 19 LYS HB3 . 10064 1 151 . 1 1 19 19 LYS HG2 H 1 1.543 0.030 . 2 . . . . 19 LYS HG2 . 10064 1 152 . 1 1 19 19 LYS HG3 H 1 1.476 0.030 . 2 . . . . 19 LYS HG3 . 10064 1 153 . 1 1 19 19 LYS HD2 H 1 1.697 0.030 . 1 . . . . 19 LYS HD2 . 10064 1 154 . 1 1 19 19 LYS HD3 H 1 1.697 0.030 . 1 . . . . 19 LYS HD3 . 10064 1 155 . 1 1 19 19 LYS HE2 H 1 3.003 0.030 . 1 . . . . 19 LYS HE2 . 10064 1 156 . 1 1 19 19 LYS HE3 H 1 3.003 0.030 . 1 . . . . 19 LYS HE3 . 10064 1 157 . 1 1 19 19 LYS C C 13 178.001 0.300 . 1 . . . . 19 LYS C . 10064 1 158 . 1 1 19 19 LYS CA C 13 55.177 0.300 . 1 . . . . 19 LYS CA . 10064 1 159 . 1 1 19 19 LYS CB C 13 33.485 0.300 . 1 . . . . 19 LYS CB . 10064 1 160 . 1 1 19 19 LYS CG C 13 25.466 0.300 . 1 . . . . 19 LYS CG . 10064 1 161 . 1 1 19 19 LYS CD C 13 29.105 0.300 . 1 . . . . 19 LYS CD . 10064 1 162 . 1 1 19 19 LYS CE C 13 42.086 0.300 . 1 . . . . 19 LYS CE . 10064 1 163 . 1 1 19 19 LYS N N 15 119.139 0.300 . 1 . . . . 19 LYS N . 10064 1 164 . 1 1 20 20 GLU H H 1 8.767 0.030 . 1 . . . . 20 GLU H . 10064 1 165 . 1 1 20 20 GLU HA H 1 3.805 0.030 . 1 . . . . 20 GLU HA . 10064 1 166 . 1 1 20 20 GLU HB2 H 1 1.973 0.030 . 2 . . . . 20 GLU HB2 . 10064 1 167 . 1 1 20 20 GLU HB3 H 1 2.031 0.030 . 2 . . . . 20 GLU HB3 . 10064 1 168 . 1 1 20 20 GLU HG2 H 1 2.314 0.030 . 1 . . . . 20 GLU HG2 . 10064 1 169 . 1 1 20 20 GLU HG3 H 1 2.314 0.030 . 1 . . . . 20 GLU HG3 . 10064 1 170 . 1 1 20 20 GLU C C 13 176.912 0.300 . 1 . . . . 20 GLU C . 10064 1 171 . 1 1 20 20 GLU CA C 13 59.126 0.300 . 1 . . . . 20 GLU CA . 10064 1 172 . 1 1 20 20 GLU CB C 13 29.598 0.300 . 1 . . . . 20 GLU CB . 10064 1 173 . 1 1 20 20 GLU CG C 13 35.988 0.300 . 1 . . . . 20 GLU CG . 10064 1 174 . 1 1 20 20 GLU N N 15 118.281 0.300 . 1 . . . . 20 GLU N . 10064 1 175 . 1 1 21 21 ASN H H 1 8.172 0.030 . 1 . . . . 21 ASN H . 10064 1 176 . 1 1 21 21 ASN HA H 1 4.602 0.030 . 1 . . . . 21 ASN HA . 10064 1 177 . 1 1 21 21 ASN HB2 H 1 3.019 0.030 . 2 . . . . 21 ASN HB2 . 10064 1 178 . 1 1 21 21 ASN HB3 H 1 2.800 0.030 . 2 . . . . 21 ASN HB3 . 10064 1 179 . 1 1 21 21 ASN HD21 H 1 6.823 0.030 . 2 . . . . 21 ASN HD21 . 10064 1 180 . 1 1 21 21 ASN HD22 H 1 7.560 0.030 . 2 . . . . 21 ASN HD22 . 10064 1 181 . 1 1 21 21 ASN C C 13 173.886 0.300 . 1 . . . . 21 ASN C . 10064 1 182 . 1 1 21 21 ASN CA C 13 53.076 0.300 . 1 . . . . 21 ASN CA . 10064 1 183 . 1 1 21 21 ASN CB C 13 37.638 0.300 . 1 . . . . 21 ASN CB . 10064 1 184 . 1 1 21 21 ASN N N 15 113.327 0.300 . 1 . . . . 21 ASN N . 10064 1 185 . 1 1 21 21 ASN ND2 N 15 112.435 0.300 . 1 . . . . 21 ASN ND2 . 10064 1 186 . 1 1 22 22 GLU H H 1 7.543 0.030 . 1 . . . . 22 GLU H . 10064 1 187 . 1 1 22 22 GLU HA H 1 4.662 0.030 . 1 . . . . 22 GLU HA . 10064 1 188 . 1 1 22 22 GLU HB2 H 1 1.956 0.030 . 2 . . . . 22 GLU HB2 . 10064 1 189 . 1 1 22 22 GLU HB3 H 1 2.018 0.030 . 2 . . . . 22 GLU HB3 . 10064 1 190 . 1 1 22 22 GLU HG2 H 1 2.332 0.030 . 2 . . . . 22 GLU HG2 . 10064 1 191 . 1 1 22 22 GLU HG3 H 1 2.258 0.030 . 2 . . . . 22 GLU HG3 . 10064 1 192 . 1 1 22 22 GLU C C 13 175.387 0.300 . 1 . . . . 22 GLU C . 10064 1 193 . 1 1 22 22 GLU CA C 13 53.998 0.300 . 1 . . . . 22 GLU CA . 10064 1 194 . 1 1 22 22 GLU CB C 13 33.032 0.300 . 1 . . . . 22 GLU CB . 10064 1 195 . 1 1 22 22 GLU CG C 13 35.329 0.300 . 1 . . . . 22 GLU CG . 10064 1 196 . 1 1 22 22 GLU N N 15 118.806 0.300 . 1 . . . . 22 GLU N . 10064 1 197 . 1 1 23 23 GLY H H 1 8.202 0.030 . 1 . . . . 23 GLY H . 10064 1 198 . 1 1 23 23 GLY HA2 H 1 4.246 0.030 . 2 . . . . 23 GLY HA2 . 10064 1 199 . 1 1 23 23 GLY HA3 H 1 3.691 0.030 . 2 . . . . 23 GLY HA3 . 10064 1 200 . 1 1 23 23 GLY C C 13 174.951 0.300 . 1 . . . . 23 GLY C . 10064 1 201 . 1 1 23 23 GLY CA C 13 43.753 0.300 . 1 . . . . 23 GLY CA . 10064 1 202 . 1 1 23 23 GLY N N 15 107.166 0.300 . 1 . . . . 23 GLY N . 10064 1 203 . 1 1 24 24 PHE H H 1 8.703 0.030 . 1 . . . . 24 PHE H . 10064 1 204 . 1 1 24 24 PHE HA H 1 4.112 0.030 . 1 . . . . 24 PHE HA . 10064 1 205 . 1 1 24 24 PHE HB2 H 1 3.047 0.030 . 2 . . . . 24 PHE HB2 . 10064 1 206 . 1 1 24 24 PHE HB3 H 1 2.687 0.030 . 2 . . . . 24 PHE HB3 . 10064 1 207 . 1 1 24 24 PHE HD1 H 1 7.116 0.030 . 1 . . . . 24 PHE HD1 . 10064 1 208 . 1 1 24 24 PHE HD2 H 1 7.116 0.030 . 1 . . . . 24 PHE HD2 . 10064 1 209 . 1 1 24 24 PHE HE1 H 1 7.433 0.030 . 1 . . . . 24 PHE HE1 . 10064 1 210 . 1 1 24 24 PHE HE2 H 1 7.433 0.030 . 1 . . . . 24 PHE HE2 . 10064 1 211 . 1 1 24 24 PHE HZ H 1 7.189 0.030 . 1 . . . . 24 PHE HZ . 10064 1 212 . 1 1 24 24 PHE C C 13 177.952 0.300 . 1 . . . . 24 PHE C . 10064 1 213 . 1 1 24 24 PHE CA C 13 63.041 0.300 . 1 . . . . 24 PHE CA . 10064 1 214 . 1 1 24 24 PHE CB C 13 40.805 0.300 . 1 . . . . 24 PHE CB . 10064 1 215 . 1 1 24 24 PHE CD1 C 13 131.231 0.300 . 1 . . . . 24 PHE CD1 . 10064 1 216 . 1 1 24 24 PHE CD2 C 13 131.231 0.300 . 1 . . . . 24 PHE CD2 . 10064 1 217 . 1 1 24 24 PHE CE1 C 13 132.624 0.300 . 1 . . . . 24 PHE CE1 . 10064 1 218 . 1 1 24 24 PHE CE2 C 13 132.624 0.300 . 1 . . . . 24 PHE CE2 . 10064 1 219 . 1 1 24 24 PHE CZ C 13 130.634 0.300 . 1 . . . . 24 PHE CZ . 10064 1 220 . 1 1 24 24 PHE N N 15 116.048 0.300 . 1 . . . . 24 PHE N . 10064 1 221 . 1 1 25 25 GLY H H 1 8.396 0.030 . 1 . . . . 25 GLY H . 10064 1 222 . 1 1 25 25 GLY HA2 H 1 4.821 0.030 . 2 . . . . 25 GLY HA2 . 10064 1 223 . 1 1 25 25 GLY HA3 H 1 3.620 0.030 . 2 . . . . 25 GLY HA3 . 10064 1 224 . 1 1 25 25 GLY C C 13 173.209 0.300 . 1 . . . . 25 GLY C . 10064 1 225 . 1 1 25 25 GLY CA C 13 45.615 0.300 . 1 . . . . 25 GLY CA . 10064 1 226 . 1 1 25 25 GLY N N 15 101.887 0.300 . 1 . . . . 25 GLY N . 10064 1 227 . 1 1 26 26 PHE H H 1 6.742 0.030 . 1 . . . . 26 PHE H . 10064 1 228 . 1 1 26 26 PHE HA H 1 5.760 0.030 . 1 . . . . 26 PHE HA . 10064 1 229 . 1 1 26 26 PHE HB2 H 1 2.988 0.030 . 2 . . . . 26 PHE HB2 . 10064 1 230 . 1 1 26 26 PHE HB3 H 1 2.579 0.030 . 2 . . . . 26 PHE HB3 . 10064 1 231 . 1 1 26 26 PHE HD1 H 1 6.772 0.030 . 1 . . . . 26 PHE HD1 . 10064 1 232 . 1 1 26 26 PHE HD2 H 1 6.772 0.030 . 1 . . . . 26 PHE HD2 . 10064 1 233 . 1 1 26 26 PHE HE1 H 1 6.854 0.030 . 1 . . . . 26 PHE HE1 . 10064 1 234 . 1 1 26 26 PHE HE2 H 1 6.854 0.030 . 1 . . . . 26 PHE HE2 . 10064 1 235 . 1 1 26 26 PHE HZ H 1 6.824 0.030 . 1 . . . . 26 PHE HZ . 10064 1 236 . 1 1 26 26 PHE C C 13 173.523 0.300 . 1 . . . . 26 PHE C . 10064 1 237 . 1 1 26 26 PHE CA C 13 53.694 0.300 . 1 . . . . 26 PHE CA . 10064 1 238 . 1 1 26 26 PHE CB C 13 42.112 0.300 . 1 . . . . 26 PHE CB . 10064 1 239 . 1 1 26 26 PHE CD1 C 13 131.725 0.300 . 1 . . . . 26 PHE CD1 . 10064 1 240 . 1 1 26 26 PHE CD2 C 13 131.725 0.300 . 1 . . . . 26 PHE CD2 . 10064 1 241 . 1 1 26 26 PHE CE1 C 13 130.676 0.300 . 1 . . . . 26 PHE CE1 . 10064 1 242 . 1 1 26 26 PHE CE2 C 13 130.676 0.300 . 1 . . . . 26 PHE CE2 . 10064 1 243 . 1 1 26 26 PHE CZ C 13 129.112 0.300 . 1 . . . . 26 PHE CZ . 10064 1 244 . 1 1 26 26 PHE N N 15 111.123 0.300 . 1 . . . . 26 PHE N . 10064 1 245 . 1 1 27 27 VAL H H 1 8.303 0.030 . 1 . . . . 27 VAL H . 10064 1 246 . 1 1 27 27 VAL HA H 1 4.407 0.030 . 1 . . . . 27 VAL HA . 10064 1 247 . 1 1 27 27 VAL HB H 1 1.909 0.030 . 1 . . . . 27 VAL HB . 10064 1 248 . 1 1 27 27 VAL HG11 H 1 0.973 0.030 . 1 . . . . 27 VAL HG1 . 10064 1 249 . 1 1 27 27 VAL HG12 H 1 0.973 0.030 . 1 . . . . 27 VAL HG1 . 10064 1 250 . 1 1 27 27 VAL HG13 H 1 0.973 0.030 . 1 . . . . 27 VAL HG1 . 10064 1 251 . 1 1 27 27 VAL HG21 H 1 0.832 0.030 . 1 . . . . 27 VAL HG2 . 10064 1 252 . 1 1 27 27 VAL HG22 H 1 0.832 0.030 . 1 . . . . 27 VAL HG2 . 10064 1 253 . 1 1 27 27 VAL HG23 H 1 0.832 0.030 . 1 . . . . 27 VAL HG2 . 10064 1 254 . 1 1 27 27 VAL C C 13 175.895 0.300 . 1 . . . . 27 VAL C . 10064 1 255 . 1 1 27 27 VAL CA C 13 61.258 0.300 . 1 . . . . 27 VAL CA . 10064 1 256 . 1 1 27 27 VAL CB C 13 35.054 0.300 . 1 . . . . 27 VAL CB . 10064 1 257 . 1 1 27 27 VAL CG1 C 13 20.891 0.300 . 2 . . . . 27 VAL CG1 . 10064 1 258 . 1 1 27 27 VAL CG2 C 13 20.448 0.300 . 2 . . . . 27 VAL CG2 . 10064 1 259 . 1 1 27 27 VAL N N 15 121.970 0.300 . 1 . . . . 27 VAL N . 10064 1 260 . 1 1 28 28 ILE H H 1 9.406 0.030 . 1 . . . . 28 ILE H . 10064 1 261 . 1 1 28 28 ILE HA H 1 4.752 0.030 . 1 . . . . 28 ILE HA . 10064 1 262 . 1 1 28 28 ILE HB H 1 1.776 0.030 . 1 . . . . 28 ILE HB . 10064 1 263 . 1 1 28 28 ILE HG12 H 1 1.748 0.030 . 2 . . . . 28 ILE HG12 . 10064 1 264 . 1 1 28 28 ILE HG13 H 1 0.855 0.030 . 2 . . . . 28 ILE HG13 . 10064 1 265 . 1 1 28 28 ILE HG21 H 1 0.929 0.030 . 1 . . . . 28 ILE HG2 . 10064 1 266 . 1 1 28 28 ILE HG22 H 1 0.929 0.030 . 1 . . . . 28 ILE HG2 . 10064 1 267 . 1 1 28 28 ILE HG23 H 1 0.929 0.030 . 1 . . . . 28 ILE HG2 . 10064 1 268 . 1 1 28 28 ILE HD11 H 1 0.698 0.030 . 1 . . . . 28 ILE HD1 . 10064 1 269 . 1 1 28 28 ILE HD12 H 1 0.698 0.030 . 1 . . . . 28 ILE HD1 . 10064 1 270 . 1 1 28 28 ILE HD13 H 1 0.698 0.030 . 1 . . . . 28 ILE HD1 . 10064 1 271 . 1 1 28 28 ILE C C 13 175.314 0.300 . 1 . . . . 28 ILE C . 10064 1 272 . 1 1 28 28 ILE CA C 13 60.992 0.300 . 1 . . . . 28 ILE CA . 10064 1 273 . 1 1 28 28 ILE CB C 13 39.504 0.300 . 1 . . . . 28 ILE CB . 10064 1 274 . 1 1 28 28 ILE CG1 C 13 28.313 0.300 . 1 . . . . 28 ILE CG1 . 10064 1 275 . 1 1 28 28 ILE CG2 C 13 17.347 0.300 . 1 . . . . 28 ILE CG2 . 10064 1 276 . 1 1 28 28 ILE CD1 C 13 14.045 0.300 . 1 . . . . 28 ILE CD1 . 10064 1 277 . 1 1 28 28 ILE N N 15 129.550 0.300 . 1 . . . . 28 ILE N . 10064 1 278 . 1 1 29 29 ILE H H 1 9.331 0.030 . 1 . . . . 29 ILE H . 10064 1 279 . 1 1 29 29 ILE HA H 1 4.671 0.030 . 1 . . . . 29 ILE HA . 10064 1 280 . 1 1 29 29 ILE HB H 1 1.812 0.030 . 1 . . . . 29 ILE HB . 10064 1 281 . 1 1 29 29 ILE HG12 H 1 1.037 0.030 . 2 . . . . 29 ILE HG12 . 10064 1 282 . 1 1 29 29 ILE HG13 H 1 1.443 0.030 . 2 . . . . 29 ILE HG13 . 10064 1 283 . 1 1 29 29 ILE HG21 H 1 0.918 0.030 . 1 . . . . 29 ILE HG2 . 10064 1 284 . 1 1 29 29 ILE HG22 H 1 0.918 0.030 . 1 . . . . 29 ILE HG2 . 10064 1 285 . 1 1 29 29 ILE HG23 H 1 0.918 0.030 . 1 . . . . 29 ILE HG2 . 10064 1 286 . 1 1 29 29 ILE HD11 H 1 0.891 0.030 . 1 . . . . 29 ILE HD1 . 10064 1 287 . 1 1 29 29 ILE HD12 H 1 0.891 0.030 . 1 . . . . 29 ILE HD1 . 10064 1 288 . 1 1 29 29 ILE HD13 H 1 0.891 0.030 . 1 . . . . 29 ILE HD1 . 10064 1 289 . 1 1 29 29 ILE C C 13 175.289 0.300 . 1 . . . . 29 ILE C . 10064 1 290 . 1 1 29 29 ILE CA C 13 59.626 0.300 . 1 . . . . 29 ILE CA . 10064 1 291 . 1 1 29 29 ILE CB C 13 40.805 0.300 . 1 . . . . 29 ILE CB . 10064 1 292 . 1 1 29 29 ILE CG1 C 13 26.852 0.300 . 1 . . . . 29 ILE CG1 . 10064 1 293 . 1 1 29 29 ILE CG2 C 13 17.474 0.300 . 1 . . . . 29 ILE CG2 . 10064 1 294 . 1 1 29 29 ILE CD1 C 13 13.283 0.300 . 1 . . . . 29 ILE CD1 . 10064 1 295 . 1 1 29 29 ILE N N 15 125.153 0.300 . 1 . . . . 29 ILE N . 10064 1 296 . 1 1 30 30 SER H H 1 8.656 0.030 . 1 . . . . 30 SER H . 10064 1 297 . 1 1 30 30 SER HA H 1 5.287 0.030 . 1 . . . . 30 SER HA . 10064 1 298 . 1 1 30 30 SER HB2 H 1 3.949 0.030 . 2 . . . . 30 SER HB2 . 10064 1 299 . 1 1 30 30 SER HB3 H 1 3.643 0.030 . 2 . . . . 30 SER HB3 . 10064 1 300 . 1 1 30 30 SER C C 13 174.346 0.300 . 1 . . . . 30 SER C . 10064 1 301 . 1 1 30 30 SER CA C 13 57.742 0.300 . 1 . . . . 30 SER CA . 10064 1 302 . 1 1 30 30 SER CB C 13 63.985 0.300 . 1 . . . . 30 SER CB . 10064 1 303 . 1 1 30 30 SER N N 15 121.374 0.300 . 1 . . . . 30 SER N . 10064 1 304 . 1 1 31 31 SER H H 1 8.572 0.030 . 1 . . . . 31 SER H . 10064 1 305 . 1 1 31 31 SER HA H 1 4.532 0.030 . 1 . . . . 31 SER HA . 10064 1 306 . 1 1 31 31 SER HB2 H 1 3.806 0.030 . 1 . . . . 31 SER HB2 . 10064 1 307 . 1 1 31 31 SER HB3 H 1 3.806 0.030 . 1 . . . . 31 SER HB3 . 10064 1 308 . 1 1 31 31 SER C C 13 173.768 0.300 . 1 . . . . 31 SER C . 10064 1 309 . 1 1 31 31 SER CA C 13 57.743 0.300 . 1 . . . . 31 SER CA . 10064 1 310 . 1 1 31 31 SER CB C 13 64.245 0.300 . 1 . . . . 31 SER CB . 10064 1 311 . 1 1 31 31 SER N N 15 119.506 0.300 . 1 . . . . 31 SER N . 10064 1 312 . 1 1 32 32 LEU H H 1 8.411 0.030 . 1 . . . . 32 LEU H . 10064 1 313 . 1 1 32 32 LEU HA H 1 4.324 0.030 . 1 . . . . 32 LEU HA . 10064 1 314 . 1 1 32 32 LEU HB2 H 1 1.660 0.030 . 2 . . . . 32 LEU HB2 . 10064 1 315 . 1 1 32 32 LEU HB3 H 1 1.595 0.030 . 2 . . . . 32 LEU HB3 . 10064 1 316 . 1 1 32 32 LEU HG H 1 1.543 0.030 . 1 . . . . 32 LEU HG . 10064 1 317 . 1 1 32 32 LEU HD11 H 1 0.931 0.030 . 1 . . . . 32 LEU HD1 . 10064 1 318 . 1 1 32 32 LEU HD12 H 1 0.931 0.030 . 1 . . . . 32 LEU HD1 . 10064 1 319 . 1 1 32 32 LEU HD13 H 1 0.931 0.030 . 1 . . . . 32 LEU HD1 . 10064 1 320 . 1 1 32 32 LEU HD21 H 1 0.875 0.030 . 1 . . . . 32 LEU HD2 . 10064 1 321 . 1 1 32 32 LEU HD22 H 1 0.875 0.030 . 1 . . . . 32 LEU HD2 . 10064 1 322 . 1 1 32 32 LEU HD23 H 1 0.875 0.030 . 1 . . . . 32 LEU HD2 . 10064 1 323 . 1 1 32 32 LEU C C 13 176.791 0.300 . 1 . . . . 32 LEU C . 10064 1 324 . 1 1 32 32 LEU CA C 13 55.329 0.300 . 1 . . . . 32 LEU CA . 10064 1 325 . 1 1 32 32 LEU CB C 13 42.393 0.300 . 1 . . . . 32 LEU CB . 10064 1 326 . 1 1 32 32 LEU CG C 13 27.006 0.300 . 1 . . . . 32 LEU CG . 10064 1 327 . 1 1 32 32 LEU CD1 C 13 24.947 0.300 . 2 . . . . 32 LEU CD1 . 10064 1 328 . 1 1 32 32 LEU CD2 C 13 23.548 0.300 . 2 . . . . 32 LEU CD2 . 10064 1 329 . 1 1 32 32 LEU N N 15 124.010 0.300 . 1 . . . . 32 LEU N . 10064 1 330 . 1 1 33 33 ASN H H 1 8.357 0.030 . 1 . . . . 33 ASN H . 10064 1 331 . 1 1 33 33 ASN HA H 1 4.778 0.030 . 1 . . . . 33 ASN HA . 10064 1 332 . 1 1 33 33 ASN HB2 H 1 2.695 0.030 . 2 . . . . 33 ASN HB2 . 10064 1 333 . 1 1 33 33 ASN HB3 H 1 2.795 0.030 . 2 . . . . 33 ASN HB3 . 10064 1 334 . 1 1 33 33 ASN HD21 H 1 6.907 0.030 . 2 . . . . 33 ASN HD21 . 10064 1 335 . 1 1 33 33 ASN HD22 H 1 7.572 0.030 . 2 . . . . 33 ASN HD22 . 10064 1 336 . 1 1 33 33 ASN C C 13 174.599 0.300 . 1 . . . . 33 ASN C . 10064 1 337 . 1 1 33 33 ASN CA C 13 53.216 0.300 . 1 . . . . 33 ASN CA . 10064 1 338 . 1 1 33 33 ASN CB C 13 39.046 0.300 . 1 . . . . 33 ASN CB . 10064 1 339 . 1 1 33 33 ASN N N 15 118.992 0.300 . 1 . . . . 33 ASN N . 10064 1 340 . 1 1 33 33 ASN ND2 N 15 112.798 0.300 . 1 . . . . 33 ASN ND2 . 10064 1 341 . 1 1 34 34 ARG H H 1 8.321 0.030 . 1 . . . . 34 ARG H . 10064 1 342 . 1 1 34 34 ARG HA H 1 4.647 0.030 . 1 . . . . 34 ARG HA . 10064 1 343 . 1 1 34 34 ARG HB2 H 1 1.892 0.030 . 2 . . . . 34 ARG HB2 . 10064 1 344 . 1 1 34 34 ARG HB3 H 1 1.738 0.030 . 2 . . . . 34 ARG HB3 . 10064 1 345 . 1 1 34 34 ARG HG2 H 1 1.647 0.030 . 1 . . . . 34 ARG HG2 . 10064 1 346 . 1 1 34 34 ARG HG3 H 1 1.647 0.030 . 1 . . . . 34 ARG HG3 . 10064 1 347 . 1 1 34 34 ARG HD2 H 1 3.220 0.030 . 1 . . . . 34 ARG HD2 . 10064 1 348 . 1 1 34 34 ARG HD3 H 1 3.220 0.030 . 1 . . . . 34 ARG HD3 . 10064 1 349 . 1 1 34 34 ARG C C 13 174.201 0.300 . 1 . . . . 34 ARG C . 10064 1 350 . 1 1 34 34 ARG CA C 13 53.917 0.300 . 1 . . . . 34 ARG CA . 10064 1 351 . 1 1 34 34 ARG CB C 13 30.203 0.300 . 1 . . . . 34 ARG CB . 10064 1 352 . 1 1 34 34 ARG CG C 13 26.808 0.300 . 1 . . . . 34 ARG CG . 10064 1 353 . 1 1 34 34 ARG CD C 13 43.544 0.300 . 1 . . . . 34 ARG CD . 10064 1 354 . 1 1 34 34 ARG N N 15 122.285 0.300 . 1 . . . . 34 ARG N . 10064 1 355 . 1 1 35 35 PRO HA H 1 4.421 0.030 . 1 . . . . 35 PRO HA . 10064 1 356 . 1 1 35 35 PRO HB2 H 1 2.291 0.030 . 2 . . . . 35 PRO HB2 . 10064 1 357 . 1 1 35 35 PRO HB3 H 1 1.955 0.030 . 2 . . . . 35 PRO HB3 . 10064 1 358 . 1 1 35 35 PRO HG2 H 1 1.994 0.030 . 1 . . . . 35 PRO HG2 . 10064 1 359 . 1 1 35 35 PRO HG3 H 1 1.994 0.030 . 1 . . . . 35 PRO HG3 . 10064 1 360 . 1 1 35 35 PRO HD2 H 1 3.761 0.030 . 2 . . . . 35 PRO HD2 . 10064 1 361 . 1 1 35 35 PRO HD3 H 1 3.687 0.030 . 2 . . . . 35 PRO HD3 . 10064 1 362 . 1 1 35 35 PRO C C 13 177.245 0.300 . 1 . . . . 35 PRO C . 10064 1 363 . 1 1 35 35 PRO CA C 13 63.645 0.300 . 1 . . . . 35 PRO CA . 10064 1 364 . 1 1 35 35 PRO CB C 13 32.008 0.300 . 1 . . . . 35 PRO CB . 10064 1 365 . 1 1 35 35 PRO CG C 13 27.418 0.300 . 1 . . . . 35 PRO CG . 10064 1 366 . 1 1 35 35 PRO CD C 13 50.619 0.300 . 1 . . . . 35 PRO CD . 10064 1 367 . 1 1 36 36 GLU H H 1 8.792 0.030 . 1 . . . . 36 GLU H . 10064 1 368 . 1 1 36 36 GLU HA H 1 4.300 0.030 . 1 . . . . 36 GLU HA . 10064 1 369 . 1 1 36 36 GLU HB2 H 1 2.095 0.030 . 2 . . . . 36 GLU HB2 . 10064 1 370 . 1 1 36 36 GLU HB3 H 1 1.982 0.030 . 2 . . . . 36 GLU HB3 . 10064 1 371 . 1 1 36 36 GLU HG2 H 1 2.309 0.030 . 1 . . . . 36 GLU HG2 . 10064 1 372 . 1 1 36 36 GLU HG3 H 1 2.309 0.030 . 1 . . . . 36 GLU HG3 . 10064 1 373 . 1 1 36 36 GLU C C 13 176.766 0.300 . 1 . . . . 36 GLU C . 10064 1 374 . 1 1 36 36 GLU CA C 13 56.937 0.300 . 1 . . . . 36 GLU CA . 10064 1 375 . 1 1 36 36 GLU CB C 13 29.950 0.300 . 1 . . . . 36 GLU CB . 10064 1 376 . 1 1 36 36 GLU CG C 13 36.400 0.300 . 1 . . . . 36 GLU CG . 10064 1 377 . 1 1 36 36 GLU N N 15 120.497 0.300 . 1 . . . . 36 GLU N . 10064 1 378 . 1 1 37 37 SER H H 1 8.289 0.030 . 1 . . . . 37 SER H . 10064 1 379 . 1 1 37 37 SER HA H 1 4.498 0.030 . 1 . . . . 37 SER HA . 10064 1 380 . 1 1 37 37 SER HB2 H 1 3.920 0.030 . 1 . . . . 37 SER HB2 . 10064 1 381 . 1 1 37 37 SER HB3 H 1 3.920 0.030 . 1 . . . . 37 SER HB3 . 10064 1 382 . 1 1 37 37 SER C C 13 175.169 0.300 . 1 . . . . 37 SER C . 10064 1 383 . 1 1 37 37 SER CA C 13 58.785 0.300 . 1 . . . . 37 SER CA . 10064 1 384 . 1 1 37 37 SER CB C 13 63.795 0.300 . 1 . . . . 37 SER CB . 10064 1 385 . 1 1 37 37 SER N N 15 115.973 0.300 . 1 . . . . 37 SER N . 10064 1 386 . 1 1 38 38 GLY H H 1 8.423 0.030 . 1 . . . . 38 GLY H . 10064 1 387 . 1 1 38 38 GLY HA2 H 1 4.105 0.030 . 2 . . . . 38 GLY HA2 . 10064 1 388 . 1 1 38 38 GLY HA3 H 1 3.945 0.030 . 2 . . . . 38 GLY HA3 . 10064 1 389 . 1 1 38 38 GLY C C 13 174.201 0.300 . 1 . . . . 38 GLY C . 10064 1 390 . 1 1 38 38 GLY CA C 13 45.592 0.300 . 1 . . . . 38 GLY CA . 10064 1 391 . 1 1 38 38 GLY N N 15 110.902 0.300 . 1 . . . . 38 GLY N . 10064 1 392 . 1 1 39 39 SER H H 1 8.132 0.030 . 1 . . . . 39 SER H . 10064 1 393 . 1 1 39 39 SER HA H 1 4.567 0.030 . 1 . . . . 39 SER HA . 10064 1 394 . 1 1 39 39 SER HB2 H 1 3.885 0.030 . 1 . . . . 39 SER HB2 . 10064 1 395 . 1 1 39 39 SER HB3 H 1 3.885 0.030 . 1 . . . . 39 SER HB3 . 10064 1 396 . 1 1 39 39 SER C C 13 174.709 0.300 . 1 . . . . 39 SER C . 10064 1 397 . 1 1 39 39 SER CA C 13 58.190 0.300 . 1 . . . . 39 SER CA . 10064 1 398 . 1 1 39 39 SER CB C 13 64.125 0.300 . 1 . . . . 39 SER CB . 10064 1 399 . 1 1 39 39 SER N N 15 115.206 0.300 . 1 . . . . 39 SER N . 10064 1 400 . 1 1 40 40 THR H H 1 8.249 0.030 . 1 . . . . 40 THR H . 10064 1 401 . 1 1 40 40 THR HA H 1 4.379 0.030 . 1 . . . . 40 THR HA . 10064 1 402 . 1 1 40 40 THR HB H 1 4.233 0.030 . 1 . . . . 40 THR HB . 10064 1 403 . 1 1 40 40 THR HG21 H 1 1.200 0.030 . 1 . . . . 40 THR HG2 . 10064 1 404 . 1 1 40 40 THR HG22 H 1 1.200 0.030 . 1 . . . . 40 THR HG2 . 10064 1 405 . 1 1 40 40 THR HG23 H 1 1.200 0.030 . 1 . . . . 40 THR HG2 . 10064 1 406 . 1 1 40 40 THR C C 13 174.370 0.300 . 1 . . . . 40 THR C . 10064 1 407 . 1 1 40 40 THR CA C 13 62.112 0.300 . 1 . . . . 40 THR CA . 10064 1 408 . 1 1 40 40 THR CB C 13 69.694 0.300 . 1 . . . . 40 THR CB . 10064 1 409 . 1 1 40 40 THR CG2 C 13 21.720 0.300 . 1 . . . . 40 THR CG2 . 10064 1 410 . 1 1 40 40 THR N N 15 116.153 0.300 . 1 . . . . 40 THR N . 10064 1 411 . 1 1 41 41 ILE H H 1 8.158 0.030 . 1 . . . . 41 ILE H . 10064 1 412 . 1 1 41 41 ILE HA H 1 4.261 0.030 . 1 . . . . 41 ILE HA . 10064 1 413 . 1 1 41 41 ILE HB H 1 1.849 0.030 . 1 . . . . 41 ILE HB . 10064 1 414 . 1 1 41 41 ILE HG12 H 1 1.155 0.030 . 2 . . . . 41 ILE HG12 . 10064 1 415 . 1 1 41 41 ILE HG13 H 1 1.467 0.030 . 2 . . . . 41 ILE HG13 . 10064 1 416 . 1 1 41 41 ILE HG21 H 1 0.860 0.030 . 1 . . . . 41 ILE HG2 . 10064 1 417 . 1 1 41 41 ILE HG22 H 1 0.860 0.030 . 1 . . . . 41 ILE HG2 . 10064 1 418 . 1 1 41 41 ILE HG23 H 1 0.860 0.030 . 1 . . . . 41 ILE HG2 . 10064 1 419 . 1 1 41 41 ILE HD11 H 1 0.840 0.030 . 1 . . . . 41 ILE HD1 . 10064 1 420 . 1 1 41 41 ILE HD12 H 1 0.840 0.030 . 1 . . . . 41 ILE HD1 . 10064 1 421 . 1 1 41 41 ILE HD13 H 1 0.840 0.030 . 1 . . . . 41 ILE HD1 . 10064 1 422 . 1 1 41 41 ILE C C 13 175.847 0.300 . 1 . . . . 41 ILE C . 10064 1 423 . 1 1 41 41 ILE CA C 13 60.992 0.300 . 1 . . . . 41 ILE CA . 10064 1 424 . 1 1 41 41 ILE CB C 13 38.902 0.300 . 1 . . . . 41 ILE CB . 10064 1 425 . 1 1 41 41 ILE CG1 C 13 27.295 0.300 . 1 . . . . 41 ILE CG1 . 10064 1 426 . 1 1 41 41 ILE CG2 C 13 17.502 0.300 . 1 . . . . 41 ILE CG2 . 10064 1 427 . 1 1 41 41 ILE CD1 C 13 13.117 0.300 . 1 . . . . 41 ILE CD1 . 10064 1 428 . 1 1 41 41 ILE N N 15 122.810 0.300 . 1 . . . . 41 ILE N . 10064 1 429 . 1 1 42 42 THR H H 1 8.269 0.030 . 1 . . . . 42 THR H . 10064 1 430 . 1 1 42 42 THR HA H 1 4.346 0.030 . 1 . . . . 42 THR HA . 10064 1 431 . 1 1 42 42 THR HB H 1 4.095 0.030 . 1 . . . . 42 THR HB . 10064 1 432 . 1 1 42 42 THR HG21 H 1 1.136 0.030 . 1 . . . . 42 THR HG2 . 10064 1 433 . 1 1 42 42 THR HG22 H 1 1.136 0.030 . 1 . . . . 42 THR HG2 . 10064 1 434 . 1 1 42 42 THR HG23 H 1 1.136 0.030 . 1 . . . . 42 THR HG2 . 10064 1 435 . 1 1 42 42 THR C C 13 173.886 0.300 . 1 . . . . 42 THR C . 10064 1 436 . 1 1 42 42 THR CA C 13 61.904 0.300 . 1 . . . . 42 THR CA . 10064 1 437 . 1 1 42 42 THR CB C 13 69.696 0.300 . 1 . . . . 42 THR CB . 10064 1 438 . 1 1 42 42 THR CG2 C 13 21.772 0.300 . 1 . . . . 42 THR CG2 . 10064 1 439 . 1 1 42 42 THR N N 15 119.857 0.300 . 1 . . . . 42 THR N . 10064 1 440 . 1 1 43 43 VAL H H 1 8.164 0.030 . 1 . . . . 43 VAL H . 10064 1 441 . 1 1 43 43 VAL HA H 1 4.463 0.030 . 1 . . . . 43 VAL HA . 10064 1 442 . 1 1 43 43 VAL HB H 1 2.068 0.030 . 1 . . . . 43 VAL HB . 10064 1 443 . 1 1 43 43 VAL HG11 H 1 0.964 0.030 . 1 . . . . 43 VAL HG1 . 10064 1 444 . 1 1 43 43 VAL HG12 H 1 0.964 0.030 . 1 . . . . 43 VAL HG1 . 10064 1 445 . 1 1 43 43 VAL HG13 H 1 0.964 0.030 . 1 . . . . 43 VAL HG1 . 10064 1 446 . 1 1 43 43 VAL HG21 H 1 0.906 0.030 . 1 . . . . 43 VAL HG2 . 10064 1 447 . 1 1 43 43 VAL HG22 H 1 0.906 0.030 . 1 . . . . 43 VAL HG2 . 10064 1 448 . 1 1 43 43 VAL HG23 H 1 0.906 0.030 . 1 . . . . 43 VAL HG2 . 10064 1 449 . 1 1 43 43 VAL C C 13 174.756 0.300 . 1 . . . . 43 VAL C . 10064 1 450 . 1 1 43 43 VAL CA C 13 59.422 0.300 . 1 . . . . 43 VAL CA . 10064 1 451 . 1 1 43 43 VAL CB C 13 32.647 0.300 . 1 . . . . 43 VAL CB . 10064 1 452 . 1 1 43 43 VAL CG1 C 13 22.526 0.300 . 2 . . . . 43 VAL CG1 . 10064 1 453 . 1 1 43 43 VAL CG2 C 13 20.871 0.300 . 2 . . . . 43 VAL CG2 . 10064 1 454 . 1 1 43 43 VAL N N 15 123.387 0.300 . 1 . . . . 43 VAL N . 10064 1 455 . 1 1 44 44 PRO HA H 1 4.332 0.030 . 1 . . . . 44 PRO HA . 10064 1 456 . 1 1 44 44 PRO HB2 H 1 2.071 0.030 . 2 . . . . 44 PRO HB2 . 10064 1 457 . 1 1 44 44 PRO HB3 H 1 1.574 0.030 . 2 . . . . 44 PRO HB3 . 10064 1 458 . 1 1 44 44 PRO HG2 H 1 1.927 0.030 . 2 . . . . 44 PRO HG2 . 10064 1 459 . 1 1 44 44 PRO HG3 H 1 1.553 0.030 . 2 . . . . 44 PRO HG3 . 10064 1 460 . 1 1 44 44 PRO HD2 H 1 3.688 0.030 . 2 . . . . 44 PRO HD2 . 10064 1 461 . 1 1 44 44 PRO HD3 H 1 3.810 0.030 . 2 . . . . 44 PRO HD3 . 10064 1 462 . 1 1 44 44 PRO C C 13 175.458 0.300 . 1 . . . . 44 PRO C . 10064 1 463 . 1 1 44 44 PRO CA C 13 64.048 0.300 . 1 . . . . 44 PRO CA . 10064 1 464 . 1 1 44 44 PRO CB C 13 32.477 0.300 . 1 . . . . 44 PRO CB . 10064 1 465 . 1 1 44 44 PRO CG C 13 26.606 0.300 . 1 . . . . 44 PRO CG . 10064 1 466 . 1 1 44 44 PRO CD C 13 51.381 0.300 . 1 . . . . 44 PRO CD . 10064 1 467 . 1 1 45 45 HIS H H 1 7.423 0.030 . 1 . . . . 45 HIS H . 10064 1 468 . 1 1 45 45 HIS HA H 1 5.290 0.030 . 1 . . . . 45 HIS HA . 10064 1 469 . 1 1 45 45 HIS HB2 H 1 3.172 0.030 . 2 . . . . 45 HIS HB2 . 10064 1 470 . 1 1 45 45 HIS HB3 H 1 2.713 0.030 . 2 . . . . 45 HIS HB3 . 10064 1 471 . 1 1 45 45 HIS HD2 H 1 6.800 0.030 . 1 . . . . 45 HIS HD2 . 10064 1 472 . 1 1 45 45 HIS HE1 H 1 7.843 0.030 . 1 . . . . 45 HIS HE1 . 10064 1 473 . 1 1 45 45 HIS C C 13 174.975 0.300 . 1 . . . . 45 HIS C . 10064 1 474 . 1 1 45 45 HIS CA C 13 55.950 0.300 . 1 . . . . 45 HIS CA . 10064 1 475 . 1 1 45 45 HIS CB C 13 32.492 0.300 . 1 . . . . 45 HIS CB . 10064 1 476 . 1 1 45 45 HIS CD2 C 13 118.072 0.300 . 1 . . . . 45 HIS CD2 . 10064 1 477 . 1 1 45 45 HIS CE1 C 13 139.770 0.300 . 1 . . . . 45 HIS CE1 . 10064 1 478 . 1 1 45 45 HIS N N 15 118.254 0.300 . 1 . . . . 45 HIS N . 10064 1 479 . 1 1 46 46 LYS H H 1 9.045 0.030 . 1 . . . . 46 LYS H . 10064 1 480 . 1 1 46 46 LYS HA H 1 5.520 0.030 . 1 . . . . 46 LYS HA . 10064 1 481 . 1 1 46 46 LYS HB2 H 1 1.560 0.030 . 1 . . . . 46 LYS HB2 . 10064 1 482 . 1 1 46 46 LYS HB3 H 1 1.560 0.030 . 1 . . . . 46 LYS HB3 . 10064 1 483 . 1 1 46 46 LYS HG2 H 1 1.347 0.030 . 2 . . . . 46 LYS HG2 . 10064 1 484 . 1 1 46 46 LYS HG3 H 1 1.067 0.030 . 2 . . . . 46 LYS HG3 . 10064 1 485 . 1 1 46 46 LYS HD2 H 1 1.585 0.030 . 1 . . . . 46 LYS HD2 . 10064 1 486 . 1 1 46 46 LYS HD3 H 1 1.585 0.030 . 1 . . . . 46 LYS HD3 . 10064 1 487 . 1 1 46 46 LYS HE2 H 1 2.877 0.030 . 1 . . . . 46 LYS HE2 . 10064 1 488 . 1 1 46 46 LYS HE3 H 1 2.877 0.030 . 1 . . . . 46 LYS HE3 . 10064 1 489 . 1 1 46 46 LYS C C 13 175.435 0.300 . 1 . . . . 46 LYS C . 10064 1 490 . 1 1 46 46 LYS CA C 13 53.822 0.300 . 1 . . . . 46 LYS CA . 10064 1 491 . 1 1 46 46 LYS CB C 13 37.391 0.300 . 1 . . . . 46 LYS CB . 10064 1 492 . 1 1 46 46 LYS CG C 13 24.203 0.300 . 1 . . . . 46 LYS CG . 10064 1 493 . 1 1 46 46 LYS CD C 13 30.170 0.300 . 1 . . . . 46 LYS CD . 10064 1 494 . 1 1 46 46 LYS CE C 13 42.173 0.300 . 1 . . . . 46 LYS CE . 10064 1 495 . 1 1 46 46 LYS N N 15 120.269 0.300 . 1 . . . . 46 LYS N . 10064 1 496 . 1 1 47 47 ILE H H 1 8.758 0.030 . 1 . . . . 47 ILE H . 10064 1 497 . 1 1 47 47 ILE HA H 1 4.294 0.030 . 1 . . . . 47 ILE HA . 10064 1 498 . 1 1 47 47 ILE HB H 1 2.361 0.030 . 1 . . . . 47 ILE HB . 10064 1 499 . 1 1 47 47 ILE HG12 H 1 1.432 0.030 . 2 . . . . 47 ILE HG12 . 10064 1 500 . 1 1 47 47 ILE HG13 H 1 1.305 0.030 . 2 . . . . 47 ILE HG13 . 10064 1 501 . 1 1 47 47 ILE HG21 H 1 0.810 0.030 . 1 . . . . 47 ILE HG2 . 10064 1 502 . 1 1 47 47 ILE HG22 H 1 0.810 0.030 . 1 . . . . 47 ILE HG2 . 10064 1 503 . 1 1 47 47 ILE HG23 H 1 0.810 0.030 . 1 . . . . 47 ILE HG2 . 10064 1 504 . 1 1 47 47 ILE HD11 H 1 0.515 0.030 . 1 . . . . 47 ILE HD1 . 10064 1 505 . 1 1 47 47 ILE HD12 H 1 0.515 0.030 . 1 . . . . 47 ILE HD1 . 10064 1 506 . 1 1 47 47 ILE HD13 H 1 0.515 0.030 . 1 . . . . 47 ILE HD1 . 10064 1 507 . 1 1 47 47 ILE C C 13 177.057 0.300 . 1 . . . . 47 ILE C . 10064 1 508 . 1 1 47 47 ILE CA C 13 60.363 0.300 . 1 . . . . 47 ILE CA . 10064 1 509 . 1 1 47 47 ILE CB C 13 35.582 0.300 . 1 . . . . 47 ILE CB . 10064 1 510 . 1 1 47 47 ILE CG1 C 13 26.677 0.300 . 1 . . . . 47 ILE CG1 . 10064 1 511 . 1 1 47 47 ILE CG2 C 13 18.359 0.300 . 1 . . . . 47 ILE CG2 . 10064 1 512 . 1 1 47 47 ILE CD1 C 13 11.348 0.300 . 1 . . . . 47 ILE CD1 . 10064 1 513 . 1 1 47 47 ILE N N 15 119.644 0.300 . 1 . . . . 47 ILE N . 10064 1 514 . 1 1 48 48 GLY H H 1 9.744 0.030 . 1 . . . . 48 GLY H . 10064 1 515 . 1 1 48 48 GLY HA2 H 1 4.378 0.030 . 2 . . . . 48 GLY HA2 . 10064 1 516 . 1 1 48 48 GLY HA3 H 1 3.597 0.030 . 2 . . . . 48 GLY HA3 . 10064 1 517 . 1 1 48 48 GLY C C 13 172.797 0.300 . 1 . . . . 48 GLY C . 10064 1 518 . 1 1 48 48 GLY CA C 13 45.596 0.300 . 1 . . . . 48 GLY CA . 10064 1 519 . 1 1 48 48 GLY N N 15 117.612 0.300 . 1 . . . . 48 GLY N . 10064 1 520 . 1 1 49 49 ARG H H 1 7.463 0.030 . 1 . . . . 49 ARG H . 10064 1 521 . 1 1 49 49 ARG HA H 1 4.394 0.030 . 1 . . . . 49 ARG HA . 10064 1 522 . 1 1 49 49 ARG HB2 H 1 1.878 0.030 . 2 . . . . 49 ARG HB2 . 10064 1 523 . 1 1 49 49 ARG HB3 H 1 1.505 0.030 . 2 . . . . 49 ARG HB3 . 10064 1 524 . 1 1 49 49 ARG HG2 H 1 1.378 0.030 . 2 . . . . 49 ARG HG2 . 10064 1 525 . 1 1 49 49 ARG HG3 H 1 1.657 0.030 . 2 . . . . 49 ARG HG3 . 10064 1 526 . 1 1 49 49 ARG HD2 H 1 3.178 0.030 . 2 . . . . 49 ARG HD2 . 10064 1 527 . 1 1 49 49 ARG HD3 H 1 3.108 0.030 . 2 . . . . 49 ARG HD3 . 10064 1 528 . 1 1 49 49 ARG C C 13 173.427 0.300 . 1 . . . . 49 ARG C . 10064 1 529 . 1 1 49 49 ARG CA C 13 56.333 0.300 . 1 . . . . 49 ARG CA . 10064 1 530 . 1 1 49 49 ARG CB C 13 33.820 0.300 . 1 . . . . 49 ARG CB . 10064 1 531 . 1 1 49 49 ARG CG C 13 27.645 0.300 . 1 . . . . 49 ARG CG . 10064 1 532 . 1 1 49 49 ARG CD C 13 43.640 0.300 . 1 . . . . 49 ARG CD . 10064 1 533 . 1 1 49 49 ARG N N 15 118.331 0.300 . 1 . . . . 49 ARG N . 10064 1 534 . 1 1 50 50 ILE H H 1 8.630 0.030 . 1 . . . . 50 ILE H . 10064 1 535 . 1 1 50 50 ILE HA H 1 4.705 0.030 . 1 . . . . 50 ILE HA . 10064 1 536 . 1 1 50 50 ILE HB H 1 1.650 0.030 . 1 . . . . 50 ILE HB . 10064 1 537 . 1 1 50 50 ILE HG12 H 1 0.793 0.030 . 2 . . . . 50 ILE HG12 . 10064 1 538 . 1 1 50 50 ILE HG13 H 1 1.448 0.030 . 2 . . . . 50 ILE HG13 . 10064 1 539 . 1 1 50 50 ILE HG21 H 1 0.728 0.030 . 1 . . . . 50 ILE HG2 . 10064 1 540 . 1 1 50 50 ILE HG22 H 1 0.728 0.030 . 1 . . . . 50 ILE HG2 . 10064 1 541 . 1 1 50 50 ILE HG23 H 1 0.728 0.030 . 1 . . . . 50 ILE HG2 . 10064 1 542 . 1 1 50 50 ILE HD11 H 1 0.677 0.030 . 1 . . . . 50 ILE HD1 . 10064 1 543 . 1 1 50 50 ILE HD12 H 1 0.677 0.030 . 1 . . . . 50 ILE HD1 . 10064 1 544 . 1 1 50 50 ILE HD13 H 1 0.677 0.030 . 1 . . . . 50 ILE HD1 . 10064 1 545 . 1 1 50 50 ILE C C 13 175.502 0.300 . 1 . . . . 50 ILE C . 10064 1 546 . 1 1 50 50 ILE CA C 13 59.941 0.300 . 1 . . . . 50 ILE CA . 10064 1 547 . 1 1 50 50 ILE CB C 13 40.434 0.300 . 1 . . . . 50 ILE CB . 10064 1 548 . 1 1 50 50 ILE CG1 C 13 28.256 0.300 . 1 . . . . 50 ILE CG1 . 10064 1 549 . 1 1 50 50 ILE CG2 C 13 17.080 0.300 . 1 . . . . 50 ILE CG2 . 10064 1 550 . 1 1 50 50 ILE CD1 C 13 13.531 0.300 . 1 . . . . 50 ILE CD1 . 10064 1 551 . 1 1 50 50 ILE N N 15 125.336 0.300 . 1 . . . . 50 ILE N . 10064 1 552 . 1 1 51 51 ILE H H 1 9.031 0.030 . 1 . . . . 51 ILE H . 10064 1 553 . 1 1 51 51 ILE HA H 1 4.009 0.030 . 1 . . . . 51 ILE HA . 10064 1 554 . 1 1 51 51 ILE HB H 1 1.781 0.030 . 1 . . . . 51 ILE HB . 10064 1 555 . 1 1 51 51 ILE HG12 H 1 1.435 0.030 . 2 . . . . 51 ILE HG12 . 10064 1 556 . 1 1 51 51 ILE HG13 H 1 1.211 0.030 . 2 . . . . 51 ILE HG13 . 10064 1 557 . 1 1 51 51 ILE HG21 H 1 1.011 0.030 . 1 . . . . 51 ILE HG2 . 10064 1 558 . 1 1 51 51 ILE HG22 H 1 1.011 0.030 . 1 . . . . 51 ILE HG2 . 10064 1 559 . 1 1 51 51 ILE HG23 H 1 1.011 0.030 . 1 . . . . 51 ILE HG2 . 10064 1 560 . 1 1 51 51 ILE HD11 H 1 0.741 0.030 . 1 . . . . 51 ILE HD1 . 10064 1 561 . 1 1 51 51 ILE HD12 H 1 0.741 0.030 . 1 . . . . 51 ILE HD1 . 10064 1 562 . 1 1 51 51 ILE HD13 H 1 0.741 0.030 . 1 . . . . 51 ILE HD1 . 10064 1 563 . 1 1 51 51 ILE C C 13 177.444 0.300 . 1 . . . . 51 ILE C . 10064 1 564 . 1 1 51 51 ILE CA C 13 60.848 0.300 . 1 . . . . 51 ILE CA . 10064 1 565 . 1 1 51 51 ILE CB C 13 37.450 0.300 . 1 . . . . 51 ILE CB . 10064 1 566 . 1 1 51 51 ILE CG1 C 13 28.310 0.300 . 1 . . . . 51 ILE CG1 . 10064 1 567 . 1 1 51 51 ILE CG2 C 13 17.062 0.300 . 1 . . . . 51 ILE CG2 . 10064 1 568 . 1 1 51 51 ILE CD1 C 13 11.467 0.300 . 1 . . . . 51 ILE CD1 . 10064 1 569 . 1 1 51 51 ILE N N 15 129.110 0.300 . 1 . . . . 51 ILE N . 10064 1 570 . 1 1 52 52 ASP H H 1 9.089 0.030 . 1 . . . . 52 ASP H . 10064 1 571 . 1 1 52 52 ASP HA H 1 4.394 0.030 . 1 . . . . 52 ASP HA . 10064 1 572 . 1 1 52 52 ASP HB2 H 1 2.666 0.030 . 1 . . . . 52 ASP HB2 . 10064 1 573 . 1 1 52 52 ASP HB3 H 1 2.666 0.030 . 1 . . . . 52 ASP HB3 . 10064 1 574 . 1 1 52 52 ASP C C 13 177.517 0.300 . 1 . . . . 52 ASP C . 10064 1 575 . 1 1 52 52 ASP CA C 13 56.368 0.300 . 1 . . . . 52 ASP CA . 10064 1 576 . 1 1 52 52 ASP CB C 13 40.824 0.300 . 1 . . . . 52 ASP CB . 10064 1 577 . 1 1 52 52 ASP N N 15 132.813 0.300 . 1 . . . . 52 ASP N . 10064 1 578 . 1 1 53 53 GLY H H 1 10.753 0.030 . 1 . . . . 53 GLY H . 10064 1 579 . 1 1 53 53 GLY HA2 H 1 4.260 0.030 . 2 . . . . 53 GLY HA2 . 10064 1 580 . 1 1 53 53 GLY HA3 H 1 3.827 0.030 . 2 . . . . 53 GLY HA3 . 10064 1 581 . 1 1 53 53 GLY C C 13 173.911 0.300 . 1 . . . . 53 GLY C . 10064 1 582 . 1 1 53 53 GLY CA C 13 45.671 0.300 . 1 . . . . 53 GLY CA . 10064 1 583 . 1 1 53 53 GLY N N 15 114.709 0.300 . 1 . . . . 53 GLY N . 10064 1 584 . 1 1 54 54 SER H H 1 7.871 0.030 . 1 . . . . 54 SER H . 10064 1 585 . 1 1 54 54 SER HA H 1 4.847 0.030 . 1 . . . . 54 SER HA . 10064 1 586 . 1 1 54 54 SER HB2 H 1 4.360 0.030 . 2 . . . . 54 SER HB2 . 10064 1 587 . 1 1 54 54 SER HB3 H 1 3.759 0.030 . 2 . . . . 54 SER HB3 . 10064 1 588 . 1 1 54 54 SER C C 13 173.281 0.300 . 1 . . . . 54 SER C . 10064 1 589 . 1 1 54 54 SER CA C 13 58.050 0.300 . 1 . . . . 54 SER CA . 10064 1 590 . 1 1 54 54 SER CB C 13 63.542 0.300 . 1 . . . . 54 SER CB . 10064 1 591 . 1 1 54 54 SER N N 15 117.257 0.300 . 1 . . . . 54 SER N . 10064 1 592 . 1 1 55 55 PRO HA H 1 4.291 0.030 . 1 . . . . 55 PRO HA . 10064 1 593 . 1 1 55 55 PRO HB2 H 1 2.938 0.030 . 2 . . . . 55 PRO HB2 . 10064 1 594 . 1 1 55 55 PRO HB3 H 1 2.229 0.030 . 2 . . . . 55 PRO HB3 . 10064 1 595 . 1 1 55 55 PRO HG2 H 1 2.241 0.030 . 2 . . . . 55 PRO HG2 . 10064 1 596 . 1 1 55 55 PRO HG3 H 1 2.314 0.030 . 2 . . . . 55 PRO HG3 . 10064 1 597 . 1 1 55 55 PRO HD2 H 1 3.985 0.030 . 2 . . . . 55 PRO HD2 . 10064 1 598 . 1 1 55 55 PRO HD3 H 1 3.922 0.030 . 2 . . . . 55 PRO HD3 . 10064 1 599 . 1 1 55 55 PRO C C 13 179.153 0.300 . 1 . . . . 55 PRO C . 10064 1 600 . 1 1 55 55 PRO CA C 13 66.883 0.300 . 1 . . . . 55 PRO CA . 10064 1 601 . 1 1 55 55 PRO CB C 13 32.114 0.300 . 1 . . . . 55 PRO CB . 10064 1 602 . 1 1 55 55 PRO CG C 13 29.066 0.300 . 1 . . . . 55 PRO CG . 10064 1 603 . 1 1 55 55 PRO CD C 13 50.861 0.300 . 1 . . . . 55 PRO CD . 10064 1 604 . 1 1 56 56 ALA H H 1 8.384 0.030 . 1 . . . . 56 ALA H . 10064 1 605 . 1 1 56 56 ALA HA H 1 4.140 0.030 . 1 . . . . 56 ALA HA . 10064 1 606 . 1 1 56 56 ALA HB1 H 1 1.530 0.030 . 1 . . . . 56 ALA HB . 10064 1 607 . 1 1 56 56 ALA HB2 H 1 1.530 0.030 . 1 . . . . 56 ALA HB . 10064 1 608 . 1 1 56 56 ALA HB3 H 1 1.530 0.030 . 1 . . . . 56 ALA HB . 10064 1 609 . 1 1 56 56 ALA C C 13 177.928 0.300 . 1 . . . . 56 ALA C . 10064 1 610 . 1 1 56 56 ALA CA C 13 54.872 0.300 . 1 . . . . 56 ALA CA . 10064 1 611 . 1 1 56 56 ALA CB C 13 19.542 0.300 . 1 . . . . 56 ALA CB . 10064 1 612 . 1 1 56 56 ALA N N 15 117.461 0.300 . 1 . . . . 56 ALA N . 10064 1 613 . 1 1 57 57 ASP H H 1 7.623 0.030 . 1 . . . . 57 ASP H . 10064 1 614 . 1 1 57 57 ASP HA H 1 4.472 0.030 . 1 . . . . 57 ASP HA . 10064 1 615 . 1 1 57 57 ASP HB2 H 1 3.081 0.030 . 2 . . . . 57 ASP HB2 . 10064 1 616 . 1 1 57 57 ASP HB3 H 1 2.994 0.030 . 2 . . . . 57 ASP HB3 . 10064 1 617 . 1 1 57 57 ASP C C 13 178.339 0.300 . 1 . . . . 57 ASP C . 10064 1 618 . 1 1 57 57 ASP CA C 13 56.403 0.300 . 1 . . . . 57 ASP CA . 10064 1 619 . 1 1 57 57 ASP CB C 13 42.796 0.300 . 1 . . . . 57 ASP CB . 10064 1 620 . 1 1 57 57 ASP N N 15 119.365 0.300 . 1 . . . . 57 ASP N . 10064 1 621 . 1 1 58 58 ARG H H 1 8.594 0.030 . 1 . . . . 58 ARG H . 10064 1 622 . 1 1 58 58 ARG HA H 1 4.050 0.030 . 1 . . . . 58 ARG HA . 10064 1 623 . 1 1 58 58 ARG HB2 H 1 1.924 0.030 . 1 . . . . 58 ARG HB2 . 10064 1 624 . 1 1 58 58 ARG HB3 H 1 1.924 0.030 . 1 . . . . 58 ARG HB3 . 10064 1 625 . 1 1 58 58 ARG HG2 H 1 1.790 0.030 . 2 . . . . 58 ARG HG2 . 10064 1 626 . 1 1 58 58 ARG HG3 H 1 1.658 0.030 . 2 . . . . 58 ARG HG3 . 10064 1 627 . 1 1 58 58 ARG HD2 H 1 3.325 0.030 . 2 . . . . 58 ARG HD2 . 10064 1 628 . 1 1 58 58 ARG HD3 H 1 3.200 0.030 . 2 . . . . 58 ARG HD3 . 10064 1 629 . 1 1 58 58 ARG C C 13 178.315 0.300 . 1 . . . . 58 ARG C . 10064 1 630 . 1 1 58 58 ARG CA C 13 58.838 0.300 . 1 . . . . 58 ARG CA . 10064 1 631 . 1 1 58 58 ARG CB C 13 30.751 0.300 . 1 . . . . 58 ARG CB . 10064 1 632 . 1 1 58 58 ARG CG C 13 28.417 0.300 . 1 . . . . 58 ARG CG . 10064 1 633 . 1 1 58 58 ARG CD C 13 43.817 0.300 . 1 . . . . 58 ARG CD . 10064 1 634 . 1 1 58 58 ARG N N 15 116.018 0.300 . 1 . . . . 58 ARG N . 10064 1 635 . 1 1 59 59 CYS H H 1 7.740 0.030 . 1 . . . . 59 CYS H . 10064 1 636 . 1 1 59 59 CYS HA H 1 4.621 0.030 . 1 . . . . 59 CYS HA . 10064 1 637 . 1 1 59 59 CYS HB2 H 1 3.268 0.030 . 2 . . . . 59 CYS HB2 . 10064 1 638 . 1 1 59 59 CYS HB3 H 1 3.140 0.030 . 2 . . . . 59 CYS HB3 . 10064 1 639 . 1 1 59 59 CYS C C 13 174.612 0.300 . 1 . . . . 59 CYS C . 10064 1 640 . 1 1 59 59 CYS CA C 13 59.731 0.300 . 1 . . . . 59 CYS CA . 10064 1 641 . 1 1 59 59 CYS CB C 13 27.171 0.300 . 1 . . . . 59 CYS CB . 10064 1 642 . 1 1 59 59 CYS N N 15 113.869 0.300 . 1 . . . . 59 CYS N . 10064 1 643 . 1 1 60 60 ALA H H 1 7.737 0.030 . 1 . . . . 60 ALA H . 10064 1 644 . 1 1 60 60 ALA HA H 1 4.383 0.030 . 1 . . . . 60 ALA HA . 10064 1 645 . 1 1 60 60 ALA HB1 H 1 1.561 0.030 . 1 . . . . 60 ALA HB . 10064 1 646 . 1 1 60 60 ALA HB2 H 1 1.561 0.030 . 1 . . . . 60 ALA HB . 10064 1 647 . 1 1 60 60 ALA HB3 H 1 1.561 0.030 . 1 . . . . 60 ALA HB . 10064 1 648 . 1 1 60 60 ALA C C 13 177.420 0.300 . 1 . . . . 60 ALA C . 10064 1 649 . 1 1 60 60 ALA CA C 13 54.503 0.300 . 1 . . . . 60 ALA CA . 10064 1 650 . 1 1 60 60 ALA CB C 13 17.312 0.300 . 1 . . . . 60 ALA CB . 10064 1 651 . 1 1 60 60 ALA N N 15 121.073 0.300 . 1 . . . . 60 ALA N . 10064 1 652 . 1 1 61 61 LYS H H 1 7.689 0.030 . 1 . . . . 61 LYS H . 10064 1 653 . 1 1 61 61 LYS HA H 1 4.546 0.030 . 1 . . . . 61 LYS HA . 10064 1 654 . 1 1 61 61 LYS HB2 H 1 2.123 0.030 . 2 . . . . 61 LYS HB2 . 10064 1 655 . 1 1 61 61 LYS HB3 H 1 1.495 0.030 . 2 . . . . 61 LYS HB3 . 10064 1 656 . 1 1 61 61 LYS HG2 H 1 1.494 0.030 . 2 . . . . 61 LYS HG2 . 10064 1 657 . 1 1 61 61 LYS HG3 H 1 1.650 0.030 . 2 . . . . 61 LYS HG3 . 10064 1 658 . 1 1 61 61 LYS HD2 H 1 1.711 0.030 . 2 . . . . 61 LYS HD2 . 10064 1 659 . 1 1 61 61 LYS HD3 H 1 1.785 0.030 . 2 . . . . 61 LYS HD3 . 10064 1 660 . 1 1 61 61 LYS HE2 H 1 3.081 0.030 . 2 . . . . 61 LYS HE2 . 10064 1 661 . 1 1 61 61 LYS HE3 H 1 2.992 0.030 . 2 . . . . 61 LYS HE3 . 10064 1 662 . 1 1 61 61 LYS C C 13 174.879 0.300 . 1 . . . . 61 LYS C . 10064 1 663 . 1 1 61 61 LYS CA C 13 56.085 0.300 . 1 . . . . 61 LYS CA . 10064 1 664 . 1 1 61 61 LYS CB C 13 35.853 0.300 . 1 . . . . 61 LYS CB . 10064 1 665 . 1 1 61 61 LYS CG C 13 25.016 0.300 . 1 . . . . 61 LYS CG . 10064 1 666 . 1 1 61 61 LYS CD C 13 29.254 0.300 . 1 . . . . 61 LYS CD . 10064 1 667 . 1 1 61 61 LYS CE C 13 42.443 0.300 . 1 . . . . 61 LYS CE . 10064 1 668 . 1 1 61 61 LYS N N 15 117.959 0.300 . 1 . . . . 61 LYS N . 10064 1 669 . 1 1 62 62 LEU H H 1 7.909 0.030 . 1 . . . . 62 LEU H . 10064 1 670 . 1 1 62 62 LEU HA H 1 4.752 0.030 . 1 . . . . 62 LEU HA . 10064 1 671 . 1 1 62 62 LEU HB2 H 1 1.329 0.030 . 1 . . . . 62 LEU HB2 . 10064 1 672 . 1 1 62 62 LEU HB3 H 1 1.329 0.030 . 1 . . . . 62 LEU HB3 . 10064 1 673 . 1 1 62 62 LEU HG H 1 1.437 0.030 . 1 . . . . 62 LEU HG . 10064 1 674 . 1 1 62 62 LEU HD11 H 1 0.682 0.030 . 1 . . . . 62 LEU HD1 . 10064 1 675 . 1 1 62 62 LEU HD12 H 1 0.682 0.030 . 1 . . . . 62 LEU HD1 . 10064 1 676 . 1 1 62 62 LEU HD13 H 1 0.682 0.030 . 1 . . . . 62 LEU HD1 . 10064 1 677 . 1 1 62 62 LEU HD21 H 1 0.589 0.030 . 1 . . . . 62 LEU HD2 . 10064 1 678 . 1 1 62 62 LEU HD22 H 1 0.589 0.030 . 1 . . . . 62 LEU HD2 . 10064 1 679 . 1 1 62 62 LEU HD23 H 1 0.589 0.030 . 1 . . . . 62 LEU HD2 . 10064 1 680 . 1 1 62 62 LEU C C 13 175.048 0.300 . 1 . . . . 62 LEU C . 10064 1 681 . 1 1 62 62 LEU CA C 13 53.356 0.300 . 1 . . . . 62 LEU CA . 10064 1 682 . 1 1 62 62 LEU CB C 13 46.806 0.300 . 1 . . . . 62 LEU CB . 10064 1 683 . 1 1 62 62 LEU CG C 13 26.825 0.300 . 1 . . . . 62 LEU CG . 10064 1 684 . 1 1 62 62 LEU CD1 C 13 25.049 0.300 . 2 . . . . 62 LEU CD1 . 10064 1 685 . 1 1 62 62 LEU CD2 C 13 24.547 0.300 . 2 . . . . 62 LEU CD2 . 10064 1 686 . 1 1 62 62 LEU N N 15 119.840 0.300 . 1 . . . . 62 LEU N . 10064 1 687 . 1 1 63 63 LYS H H 1 9.179 0.030 . 1 . . . . 63 LYS H . 10064 1 688 . 1 1 63 63 LYS HA H 1 4.543 0.030 . 1 . . . . 63 LYS HA . 10064 1 689 . 1 1 63 63 LYS HB2 H 1 1.792 0.030 . 2 . . . . 63 LYS HB2 . 10064 1 690 . 1 1 63 63 LYS HB3 H 1 1.686 0.030 . 2 . . . . 63 LYS HB3 . 10064 1 691 . 1 1 63 63 LYS HG2 H 1 1.392 0.030 . 2 . . . . 63 LYS HG2 . 10064 1 692 . 1 1 63 63 LYS HG3 H 1 1.351 0.030 . 1 . . . . 63 LYS HG3 . 10064 1 693 . 1 1 63 63 LYS HD2 H 1 1.702 0.030 . 1 . . . . 63 LYS HD2 . 10064 1 694 . 1 1 63 63 LYS HD3 H 1 1.702 0.030 . 1 . . . . 63 LYS HD3 . 10064 1 695 . 1 1 63 63 LYS HE2 H 1 2.986 0.030 . 1 . . . . 63 LYS HE2 . 10064 1 696 . 1 1 63 63 LYS HE3 H 1 2.986 0.030 . 1 . . . . 63 LYS HE3 . 10064 1 697 . 1 1 63 63 LYS C C 13 175.798 0.300 . 1 . . . . 63 LYS C . 10064 1 698 . 1 1 63 63 LYS CA C 13 54.406 0.300 . 1 . . . . 63 LYS CA . 10064 1 699 . 1 1 63 63 LYS CB C 13 35.824 0.300 . 1 . . . . 63 LYS CB . 10064 1 700 . 1 1 63 63 LYS CG C 13 24.271 0.300 . 1 . . . . 63 LYS CG . 10064 1 701 . 1 1 63 63 LYS CD C 13 29.149 0.300 . 1 . . . . 63 LYS CD . 10064 1 702 . 1 1 63 63 LYS CE C 13 42.334 0.300 . 1 . . . . 63 LYS CE . 10064 1 703 . 1 1 63 63 LYS N N 15 124.476 0.300 . 1 . . . . 63 LYS N . 10064 1 704 . 1 1 64 64 VAL H H 1 8.434 0.030 . 1 . . . . 64 VAL H . 10064 1 705 . 1 1 64 64 VAL HA H 1 3.328 0.030 . 1 . . . . 64 VAL HA . 10064 1 706 . 1 1 64 64 VAL HB H 1 1.883 0.030 . 1 . . . . 64 VAL HB . 10064 1 707 . 1 1 64 64 VAL HG11 H 1 0.951 0.030 . 1 . . . . 64 VAL HG1 . 10064 1 708 . 1 1 64 64 VAL HG12 H 1 0.951 0.030 . 1 . . . . 64 VAL HG1 . 10064 1 709 . 1 1 64 64 VAL HG13 H 1 0.951 0.030 . 1 . . . . 64 VAL HG1 . 10064 1 710 . 1 1 64 64 VAL HG21 H 1 0.927 0.030 . 1 . . . . 64 VAL HG2 . 10064 1 711 . 1 1 64 64 VAL HG22 H 1 0.927 0.030 . 1 . . . . 64 VAL HG2 . 10064 1 712 . 1 1 64 64 VAL HG23 H 1 0.927 0.030 . 1 . . . . 64 VAL HG2 . 10064 1 713 . 1 1 64 64 VAL C C 13 177.057 0.300 . 1 . . . . 64 VAL C . 10064 1 714 . 1 1 64 64 VAL CA C 13 65.447 0.300 . 1 . . . . 64 VAL CA . 10064 1 715 . 1 1 64 64 VAL CB C 13 31.260 0.300 . 1 . . . . 64 VAL CB . 10064 1 716 . 1 1 64 64 VAL CG1 C 13 23.143 0.300 . 2 . . . . 64 VAL CG1 . 10064 1 717 . 1 1 64 64 VAL CG2 C 13 21.229 0.300 . 2 . . . . 64 VAL CG2 . 10064 1 718 . 1 1 64 64 VAL N N 15 121.251 0.300 . 1 . . . . 64 VAL N . 10064 1 719 . 1 1 65 65 GLY H H 1 9.090 0.030 . 1 . . . . 65 GLY H . 10064 1 720 . 1 1 65 65 GLY HA2 H 1 4.627 0.030 . 2 . . . . 65 GLY HA2 . 10064 1 721 . 1 1 65 65 GLY HA3 H 1 3.419 0.030 . 2 . . . . 65 GLY HA3 . 10064 1 722 . 1 1 65 65 GLY C C 13 174.298 0.300 . 1 . . . . 65 GLY C . 10064 1 723 . 1 1 65 65 GLY CA C 13 44.717 0.300 . 1 . . . . 65 GLY CA . 10064 1 724 . 1 1 65 65 GLY N N 15 116.141 0.300 . 1 . . . . 65 GLY N . 10064 1 725 . 1 1 66 66 ASP H H 1 8.025 0.030 . 1 . . . . 66 ASP H . 10064 1 726 . 1 1 66 66 ASP HA H 1 4.553 0.030 . 1 . . . . 66 ASP HA . 10064 1 727 . 1 1 66 66 ASP HB2 H 1 2.677 0.030 . 2 . . . . 66 ASP HB2 . 10064 1 728 . 1 1 66 66 ASP HB3 H 1 2.301 0.030 . 2 . . . . 66 ASP HB3 . 10064 1 729 . 1 1 66 66 ASP C C 13 176.186 0.300 . 1 . . . . 66 ASP C . 10064 1 730 . 1 1 66 66 ASP CA C 13 56.464 0.300 . 1 . . . . 66 ASP CA . 10064 1 731 . 1 1 66 66 ASP CB C 13 40.946 0.300 . 1 . . . . 66 ASP CB . 10064 1 732 . 1 1 66 66 ASP N N 15 122.695 0.300 . 1 . . . . 66 ASP N . 10064 1 733 . 1 1 67 67 ARG H H 1 8.305 0.030 . 1 . . . . 67 ARG H . 10064 1 734 . 1 1 67 67 ARG HA H 1 4.867 0.030 . 1 . . . . 67 ARG HA . 10064 1 735 . 1 1 67 67 ARG HB2 H 1 1.950 0.030 . 2 . . . . 67 ARG HB2 . 10064 1 736 . 1 1 67 67 ARG HB3 H 1 1.746 0.030 . 2 . . . . 67 ARG HB3 . 10064 1 737 . 1 1 67 67 ARG HG2 H 1 1.846 0.030 . 2 . . . . 67 ARG HG2 . 10064 1 738 . 1 1 67 67 ARG HG3 H 1 1.740 0.030 . 2 . . . . 67 ARG HG3 . 10064 1 739 . 1 1 67 67 ARG HD2 H 1 3.306 0.030 . 2 . . . . 67 ARG HD2 . 10064 1 740 . 1 1 67 67 ARG HD3 H 1 3.193 0.030 . 2 . . . . 67 ARG HD3 . 10064 1 741 . 1 1 67 67 ARG HE H 1 8.532 0.030 . 1 . . . . 67 ARG HE . 10064 1 742 . 1 1 67 67 ARG C C 13 175.677 0.300 . 1 . . . . 67 ARG C . 10064 1 743 . 1 1 67 67 ARG CA C 13 55.353 0.300 . 1 . . . . 67 ARG CA . 10064 1 744 . 1 1 67 67 ARG CB C 13 31.740 0.300 . 1 . . . . 67 ARG CB . 10064 1 745 . 1 1 67 67 ARG CG C 13 28.208 0.300 . 1 . . . . 67 ARG CG . 10064 1 746 . 1 1 67 67 ARG CD C 13 43.424 0.300 . 1 . . . . 67 ARG CD . 10064 1 747 . 1 1 67 67 ARG N N 15 121.130 0.300 . 1 . . . . 67 ARG N . 10064 1 748 . 1 1 67 67 ARG NE N 15 85.322 0.300 . 1 . . . . 67 ARG NE . 10064 1 749 . 1 1 68 68 ILE H H 1 8.073 0.030 . 1 . . . . 68 ILE H . 10064 1 750 . 1 1 68 68 ILE HA H 1 4.470 0.030 . 1 . . . . 68 ILE HA . 10064 1 751 . 1 1 68 68 ILE HB H 1 1.553 0.030 . 1 . . . . 68 ILE HB . 10064 1 752 . 1 1 68 68 ILE HG12 H 1 1.373 0.030 . 2 . . . . 68 ILE HG12 . 10064 1 753 . 1 1 68 68 ILE HG13 H 1 0.802 0.030 . 2 . . . . 68 ILE HG13 . 10064 1 754 . 1 1 68 68 ILE HG21 H 1 0.687 0.030 . 1 . . . . 68 ILE HG2 . 10064 1 755 . 1 1 68 68 ILE HG22 H 1 0.687 0.030 . 1 . . . . 68 ILE HG2 . 10064 1 756 . 1 1 68 68 ILE HG23 H 1 0.687 0.030 . 1 . . . . 68 ILE HG2 . 10064 1 757 . 1 1 68 68 ILE HD11 H 1 0.566 0.030 . 1 . . . . 68 ILE HD1 . 10064 1 758 . 1 1 68 68 ILE HD12 H 1 0.566 0.030 . 1 . . . . 68 ILE HD1 . 10064 1 759 . 1 1 68 68 ILE HD13 H 1 0.566 0.030 . 1 . . . . 68 ILE HD1 . 10064 1 760 . 1 1 68 68 ILE C C 13 173.717 0.300 . 1 . . . . 68 ILE C . 10064 1 761 . 1 1 68 68 ILE CA C 13 60.152 0.300 . 1 . . . . 68 ILE CA . 10064 1 762 . 1 1 68 68 ILE CB C 13 39.816 0.300 . 1 . . . . 68 ILE CB . 10064 1 763 . 1 1 68 68 ILE CG1 C 13 26.835 0.300 . 1 . . . . 68 ILE CG1 . 10064 1 764 . 1 1 68 68 ILE CG2 C 13 19.230 0.300 . 1 . . . . 68 ILE CG2 . 10064 1 765 . 1 1 68 68 ILE CD1 C 13 14.361 0.300 . 1 . . . . 68 ILE CD1 . 10064 1 766 . 1 1 68 68 ILE N N 15 120.238 0.300 . 1 . . . . 68 ILE N . 10064 1 767 . 1 1 69 69 LEU H H 1 9.046 0.030 . 1 . . . . 69 LEU H . 10064 1 768 . 1 1 69 69 LEU HA H 1 4.495 0.030 . 1 . . . . 69 LEU HA . 10064 1 769 . 1 1 69 69 LEU HB2 H 1 1.674 0.030 . 2 . . . . 69 LEU HB2 . 10064 1 770 . 1 1 69 69 LEU HB3 H 1 1.329 0.030 . 2 . . . . 69 LEU HB3 . 10064 1 771 . 1 1 69 69 LEU HG H 1 1.591 0.030 . 1 . . . . 69 LEU HG . 10064 1 772 . 1 1 69 69 LEU HD11 H 1 0.852 0.030 . 1 . . . . 69 LEU HD1 . 10064 1 773 . 1 1 69 69 LEU HD12 H 1 0.852 0.030 . 1 . . . . 69 LEU HD1 . 10064 1 774 . 1 1 69 69 LEU HD13 H 1 0.852 0.030 . 1 . . . . 69 LEU HD1 . 10064 1 775 . 1 1 69 69 LEU HD21 H 1 0.855 0.030 . 1 . . . . 69 LEU HD2 . 10064 1 776 . 1 1 69 69 LEU HD22 H 1 0.855 0.030 . 1 . . . . 69 LEU HD2 . 10064 1 777 . 1 1 69 69 LEU HD23 H 1 0.855 0.030 . 1 . . . . 69 LEU HD2 . 10064 1 778 . 1 1 69 69 LEU C C 13 177.877 0.300 . 1 . . . . 69 LEU C . 10064 1 779 . 1 1 69 69 LEU CA C 13 55.773 0.300 . 1 . . . . 69 LEU CA . 10064 1 780 . 1 1 69 69 LEU CB C 13 44.375 0.300 . 1 . . . . 69 LEU CB . 10064 1 781 . 1 1 69 69 LEU CG C 13 28.121 0.300 . 1 . . . . 69 LEU CG . 10064 1 782 . 1 1 69 69 LEU CD1 C 13 25.871 0.300 . 2 . . . . 69 LEU CD1 . 10064 1 783 . 1 1 69 69 LEU CD2 C 13 24.568 0.300 . 2 . . . . 69 LEU CD2 . 10064 1 784 . 1 1 69 69 LEU N N 15 123.768 0.300 . 1 . . . . 69 LEU N . 10064 1 785 . 1 1 70 70 ALA H H 1 7.624 0.030 . 1 . . . . 70 ALA H . 10064 1 786 . 1 1 70 70 ALA HA H 1 5.068 0.030 . 1 . . . . 70 ALA HA . 10064 1 787 . 1 1 70 70 ALA HB1 H 1 1.078 0.030 . 1 . . . . 70 ALA HB . 10064 1 788 . 1 1 70 70 ALA HB2 H 1 1.078 0.030 . 1 . . . . 70 ALA HB . 10064 1 789 . 1 1 70 70 ALA HB3 H 1 1.078 0.030 . 1 . . . . 70 ALA HB . 10064 1 790 . 1 1 70 70 ALA C C 13 174.661 0.300 . 1 . . . . 70 ALA C . 10064 1 791 . 1 1 70 70 ALA CA C 13 51.825 0.300 . 1 . . . . 70 ALA CA . 10064 1 792 . 1 1 70 70 ALA CB C 13 21.946 0.300 . 1 . . . . 70 ALA CB . 10064 1 793 . 1 1 70 70 ALA N N 15 119.130 0.300 . 1 . . . . 70 ALA N . 10064 1 794 . 1 1 71 71 VAL H H 1 8.095 0.030 . 1 . . . . 71 VAL H . 10064 1 795 . 1 1 71 71 VAL HA H 1 4.400 0.030 . 1 . . . . 71 VAL HA . 10064 1 796 . 1 1 71 71 VAL HB H 1 1.766 0.030 . 1 . . . . 71 VAL HB . 10064 1 797 . 1 1 71 71 VAL HG11 H 1 0.670 0.030 . 1 . . . . 71 VAL HG1 . 10064 1 798 . 1 1 71 71 VAL HG12 H 1 0.670 0.030 . 1 . . . . 71 VAL HG1 . 10064 1 799 . 1 1 71 71 VAL HG13 H 1 0.670 0.030 . 1 . . . . 71 VAL HG1 . 10064 1 800 . 1 1 71 71 VAL HG21 H 1 0.614 0.030 . 1 . . . . 71 VAL HG2 . 10064 1 801 . 1 1 71 71 VAL HG22 H 1 0.614 0.030 . 1 . . . . 71 VAL HG2 . 10064 1 802 . 1 1 71 71 VAL HG23 H 1 0.614 0.030 . 1 . . . . 71 VAL HG2 . 10064 1 803 . 1 1 71 71 VAL C C 13 175.314 0.300 . 1 . . . . 71 VAL C . 10064 1 804 . 1 1 71 71 VAL CA C 13 60.852 0.300 . 1 . . . . 71 VAL CA . 10064 1 805 . 1 1 71 71 VAL CB C 13 34.251 0.300 . 1 . . . . 71 VAL CB . 10064 1 806 . 1 1 71 71 VAL CG1 C 13 20.780 0.300 . 1 . . . . 71 VAL CG1 . 10064 1 807 . 1 1 71 71 VAL CG2 C 13 20.780 0.300 . 1 . . . . 71 VAL CG2 . 10064 1 808 . 1 1 71 71 VAL N N 15 119.132 0.300 . 1 . . . . 71 VAL N . 10064 1 809 . 1 1 72 72 ASN H H 1 9.942 0.030 . 1 . . . . 72 ASN H . 10064 1 810 . 1 1 72 72 ASN HA H 1 4.455 0.030 . 1 . . . . 72 ASN HA . 10064 1 811 . 1 1 72 72 ASN HB2 H 1 3.285 0.030 . 2 . . . . 72 ASN HB2 . 10064 1 812 . 1 1 72 72 ASN HB3 H 1 2.851 0.030 . 2 . . . . 72 ASN HB3 . 10064 1 813 . 1 1 72 72 ASN HD21 H 1 6.756 0.030 . 2 . . . . 72 ASN HD21 . 10064 1 814 . 1 1 72 72 ASN HD22 H 1 8.029 0.030 . 2 . . . . 72 ASN HD22 . 10064 1 815 . 1 1 72 72 ASN C C 13 175.362 0.300 . 1 . . . . 72 ASN C . 10064 1 816 . 1 1 72 72 ASN CA C 13 53.776 0.300 . 1 . . . . 72 ASN CA . 10064 1 817 . 1 1 72 72 ASN CB C 13 36.482 0.300 . 1 . . . . 72 ASN CB . 10064 1 818 . 1 1 72 72 ASN N N 15 128.100 0.300 . 1 . . . . 72 ASN N . 10064 1 819 . 1 1 72 72 ASN ND2 N 15 110.759 0.300 . 1 . . . . 72 ASN ND2 . 10064 1 820 . 1 1 73 73 GLY H H 1 9.334 0.030 . 1 . . . . 73 GLY H . 10064 1 821 . 1 1 73 73 GLY HA2 H 1 4.116 0.030 . 2 . . . . 73 GLY HA2 . 10064 1 822 . 1 1 73 73 GLY HA3 H 1 3.450 0.030 . 2 . . . . 73 GLY HA3 . 10064 1 823 . 1 1 73 73 GLY C C 13 173.717 0.300 . 1 . . . . 73 GLY C . 10064 1 824 . 1 1 73 73 GLY CA C 13 45.151 0.300 . 1 . . . . 73 GLY CA . 10064 1 825 . 1 1 73 73 GLY N N 15 103.805 0.300 . 1 . . . . 73 GLY N . 10064 1 826 . 1 1 74 74 GLN H H 1 7.984 0.030 . 1 . . . . 74 GLN H . 10064 1 827 . 1 1 74 74 GLN HA H 1 4.474 0.030 . 1 . . . . 74 GLN HA . 10064 1 828 . 1 1 74 74 GLN HB2 H 1 2.095 0.030 . 1 . . . . 74 GLN HB2 . 10064 1 829 . 1 1 74 74 GLN HB3 H 1 2.095 0.030 . 1 . . . . 74 GLN HB3 . 10064 1 830 . 1 1 74 74 GLN HG2 H 1 2.269 0.030 . 1 . . . . 74 GLN HG2 . 10064 1 831 . 1 1 74 74 GLN HG3 H 1 2.269 0.030 . 1 . . . . 74 GLN HG3 . 10064 1 832 . 1 1 74 74 GLN HE21 H 1 7.513 0.030 . 2 . . . . 74 GLN HE21 . 10064 1 833 . 1 1 74 74 GLN HE22 H 1 6.942 0.030 . 2 . . . . 74 GLN HE22 . 10064 1 834 . 1 1 74 74 GLN C C 13 174.879 0.300 . 1 . . . . 74 GLN C . 10064 1 835 . 1 1 74 74 GLN CA C 13 53.983 0.300 . 1 . . . . 74 GLN CA . 10064 1 836 . 1 1 74 74 GLN CB C 13 29.275 0.300 . 1 . . . . 74 GLN CB . 10064 1 837 . 1 1 74 74 GLN CG C 13 33.492 0.300 . 1 . . . . 74 GLN CG . 10064 1 838 . 1 1 74 74 GLN N N 15 121.916 0.300 . 1 . . . . 74 GLN N . 10064 1 839 . 1 1 74 74 GLN NE2 N 15 112.366 0.300 . 1 . . . . 74 GLN NE2 . 10064 1 840 . 1 1 75 75 SER H H 1 8.882 0.030 . 1 . . . . 75 SER H . 10064 1 841 . 1 1 75 75 SER HA H 1 4.578 0.030 . 1 . . . . 75 SER HA . 10064 1 842 . 1 1 75 75 SER HB2 H 1 4.058 0.030 . 2 . . . . 75 SER HB2 . 10064 1 843 . 1 1 75 75 SER HB3 H 1 3.870 0.030 . 2 . . . . 75 SER HB3 . 10064 1 844 . 1 1 75 75 SER C C 13 177.638 0.300 . 1 . . . . 75 SER C . 10064 1 845 . 1 1 75 75 SER CA C 13 58.715 0.300 . 1 . . . . 75 SER CA . 10064 1 846 . 1 1 75 75 SER CB C 13 63.301 0.300 . 1 . . . . 75 SER CB . 10064 1 847 . 1 1 75 75 SER N N 15 120.199 0.300 . 1 . . . . 75 SER N . 10064 1 848 . 1 1 76 76 ILE H H 1 8.027 0.030 . 1 . . . . 76 ILE H . 10064 1 849 . 1 1 76 76 ILE HA H 1 4.798 0.030 . 1 . . . . 76 ILE HA . 10064 1 850 . 1 1 76 76 ILE HB H 1 2.130 0.030 . 1 . . . . 76 ILE HB . 10064 1 851 . 1 1 76 76 ILE HG12 H 1 1.118 0.030 . 2 . . . . 76 ILE HG12 . 10064 1 852 . 1 1 76 76 ILE HG13 H 1 0.551 0.030 . 2 . . . . 76 ILE HG13 . 10064 1 853 . 1 1 76 76 ILE HG21 H 1 0.914 0.030 . 1 . . . . 76 ILE HG2 . 10064 1 854 . 1 1 76 76 ILE HG22 H 1 0.914 0.030 . 1 . . . . 76 ILE HG2 . 10064 1 855 . 1 1 76 76 ILE HG23 H 1 0.914 0.030 . 1 . . . . 76 ILE HG2 . 10064 1 856 . 1 1 76 76 ILE HD11 H 1 0.499 0.030 . 1 . . . . 76 ILE HD1 . 10064 1 857 . 1 1 76 76 ILE HD12 H 1 0.499 0.030 . 1 . . . . 76 ILE HD1 . 10064 1 858 . 1 1 76 76 ILE HD13 H 1 0.499 0.030 . 1 . . . . 76 ILE HD1 . 10064 1 859 . 1 1 76 76 ILE C C 13 177.178 0.300 . 1 . . . . 76 ILE C . 10064 1 860 . 1 1 76 76 ILE CA C 13 60.747 0.300 . 1 . . . . 76 ILE CA . 10064 1 861 . 1 1 76 76 ILE CB C 13 38.284 0.300 . 1 . . . . 76 ILE CB . 10064 1 862 . 1 1 76 76 ILE CG1 C 13 26.703 0.300 . 1 . . . . 76 ILE CG1 . 10064 1 863 . 1 1 76 76 ILE CG2 C 13 18.024 0.300 . 1 . . . . 76 ILE CG2 . 10064 1 864 . 1 1 76 76 ILE CD1 C 13 14.218 0.300 . 1 . . . . 76 ILE CD1 . 10064 1 865 . 1 1 76 76 ILE N N 15 119.249 0.300 . 1 . . . . 76 ILE N . 10064 1 866 . 1 1 77 77 ILE H H 1 7.526 0.030 . 1 . . . . 77 ILE H . 10064 1 867 . 1 1 77 77 ILE HA H 1 3.920 0.030 . 1 . . . . 77 ILE HA . 10064 1 868 . 1 1 77 77 ILE HB H 1 1.980 0.030 . 1 . . . . 77 ILE HB . 10064 1 869 . 1 1 77 77 ILE HG12 H 1 1.370 0.030 . 2 . . . . 77 ILE HG12 . 10064 1 870 . 1 1 77 77 ILE HG13 H 1 1.699 0.030 . 2 . . . . 77 ILE HG13 . 10064 1 871 . 1 1 77 77 ILE HG21 H 1 1.060 0.030 . 1 . . . . 77 ILE HG2 . 10064 1 872 . 1 1 77 77 ILE HG22 H 1 1.060 0.030 . 1 . . . . 77 ILE HG2 . 10064 1 873 . 1 1 77 77 ILE HG23 H 1 1.060 0.030 . 1 . . . . 77 ILE HG2 . 10064 1 874 . 1 1 77 77 ILE HD11 H 1 1.009 0.030 . 1 . . . . 77 ILE HD1 . 10064 1 875 . 1 1 77 77 ILE HD12 H 1 1.009 0.030 . 1 . . . . 77 ILE HD1 . 10064 1 876 . 1 1 77 77 ILE HD13 H 1 1.009 0.030 . 1 . . . . 77 ILE HD1 . 10064 1 877 . 1 1 77 77 ILE C C 13 176.040 0.300 . 1 . . . . 77 ILE C . 10064 1 878 . 1 1 77 77 ILE CA C 13 64.845 0.300 . 1 . . . . 77 ILE CA . 10064 1 879 . 1 1 77 77 ILE CB C 13 37.776 0.300 . 1 . . . . 77 ILE CB . 10064 1 880 . 1 1 77 77 ILE CG1 C 13 27.875 0.300 . 1 . . . . 77 ILE CG1 . 10064 1 881 . 1 1 77 77 ILE CG2 C 13 17.581 0.300 . 1 . . . . 77 ILE CG2 . 10064 1 882 . 1 1 77 77 ILE CD1 C 13 13.287 0.300 . 1 . . . . 77 ILE CD1 . 10064 1 883 . 1 1 77 77 ILE N N 15 120.074 0.300 . 1 . . . . 77 ILE N . 10064 1 884 . 1 1 78 78 ASN H H 1 8.596 0.030 . 1 . . . . 78 ASN H . 10064 1 885 . 1 1 78 78 ASN HA H 1 5.011 0.030 . 1 . . . . 78 ASN HA . 10064 1 886 . 1 1 78 78 ASN HB2 H 1 3.065 0.030 . 2 . . . . 78 ASN HB2 . 10064 1 887 . 1 1 78 78 ASN HB3 H 1 2.621 0.030 . 2 . . . . 78 ASN HB3 . 10064 1 888 . 1 1 78 78 ASN HD21 H 1 7.624 0.030 . 2 . . . . 78 ASN HD21 . 10064 1 889 . 1 1 78 78 ASN HD22 H 1 6.936 0.030 . 2 . . . . 78 ASN HD22 . 10064 1 890 . 1 1 78 78 ASN C C 13 174.830 0.300 . 1 . . . . 78 ASN C . 10064 1 891 . 1 1 78 78 ASN CA C 13 52.831 0.300 . 1 . . . . 78 ASN CA . 10064 1 892 . 1 1 78 78 ASN CB C 13 39.272 0.300 . 1 . . . . 78 ASN CB . 10064 1 893 . 1 1 78 78 ASN N N 15 116.401 0.300 . 1 . . . . 78 ASN N . 10064 1 894 . 1 1 78 78 ASN ND2 N 15 112.996 0.300 . 1 . . . . 78 ASN ND2 . 10064 1 895 . 1 1 79 79 MET H H 1 7.673 0.030 . 1 . . . . 79 MET H . 10064 1 896 . 1 1 79 79 MET HA H 1 4.772 0.030 . 1 . . . . 79 MET HA . 10064 1 897 . 1 1 79 79 MET HB2 H 1 1.974 0.030 . 1 . . . . 79 MET HB2 . 10064 1 898 . 1 1 79 79 MET HB3 H 1 1.974 0.030 . 1 . . . . 79 MET HB3 . 10064 1 899 . 1 1 79 79 MET HG2 H 1 2.641 0.030 . 2 . . . . 79 MET HG2 . 10064 1 900 . 1 1 79 79 MET HG3 H 1 2.749 0.030 . 2 . . . . 79 MET HG3 . 10064 1 901 . 1 1 79 79 MET HE1 H 1 2.064 0.030 . 1 . . . . 79 MET HE . 10064 1 902 . 1 1 79 79 MET HE2 H 1 2.064 0.030 . 1 . . . . 79 MET HE . 10064 1 903 . 1 1 79 79 MET HE3 H 1 2.064 0.030 . 1 . . . . 79 MET HE . 10064 1 904 . 1 1 79 79 MET C C 13 174.104 0.300 . 1 . . . . 79 MET C . 10064 1 905 . 1 1 79 79 MET CA C 13 54.267 0.300 . 1 . . . . 79 MET CA . 10064 1 906 . 1 1 79 79 MET CB C 13 35.036 0.300 . 1 . . . . 79 MET CB . 10064 1 907 . 1 1 79 79 MET CG C 13 32.549 0.300 . 1 . . . . 79 MET CG . 10064 1 908 . 1 1 79 79 MET CE C 13 16.830 0.300 . 1 . . . . 79 MET CE . 10064 1 909 . 1 1 79 79 MET N N 15 122.023 0.300 . 1 . . . . 79 MET N . 10064 1 910 . 1 1 80 80 PRO HA H 1 4.694 0.030 . 1 . . . . 80 PRO HA . 10064 1 911 . 1 1 80 80 PRO HB2 H 1 2.506 0.030 . 2 . . . . 80 PRO HB2 . 10064 1 912 . 1 1 80 80 PRO HB3 H 1 2.065 0.030 . 2 . . . . 80 PRO HB3 . 10064 1 913 . 1 1 80 80 PRO HG2 H 1 2.095 0.030 . 1 . . . . 80 PRO HG2 . 10064 1 914 . 1 1 80 80 PRO HG3 H 1 2.095 0.030 . 1 . . . . 80 PRO HG3 . 10064 1 915 . 1 1 80 80 PRO HD2 H 1 3.864 0.030 . 2 . . . . 80 PRO HD2 . 10064 1 916 . 1 1 80 80 PRO HD3 H 1 4.030 0.030 . 2 . . . . 80 PRO HD3 . 10064 1 917 . 1 1 80 80 PRO C C 13 173.750 0.300 . 1 . . . . 80 PRO C . 10064 1 918 . 1 1 80 80 PRO CA C 13 62.418 0.300 . 1 . . . . 80 PRO CA . 10064 1 919 . 1 1 80 80 PRO CB C 13 32.712 0.300 . 1 . . . . 80 PRO CB . 10064 1 920 . 1 1 80 80 PRO CG C 13 27.985 0.300 . 1 . . . . 80 PRO CG . 10064 1 921 . 1 1 80 80 PRO CD C 13 51.231 0.300 . 1 . . . . 80 PRO CD . 10064 1 922 . 1 1 81 81 HIS H H 1 9.058 0.030 . 1 . . . . 81 HIS H . 10064 1 923 . 1 1 81 81 HIS HA H 1 3.930 0.030 . 1 . . . . 81 HIS HA . 10064 1 924 . 1 1 81 81 HIS HB2 H 1 3.363 0.030 . 2 . . . . 81 HIS HB2 . 10064 1 925 . 1 1 81 81 HIS HB3 H 1 3.136 0.030 . 2 . . . . 81 HIS HB3 . 10064 1 926 . 1 1 81 81 HIS HD2 H 1 7.028 0.030 . 1 . . . . 81 HIS HD2 . 10064 1 927 . 1 1 81 81 HIS HE1 H 1 7.808 0.030 . 1 . . . . 81 HIS HE1 . 10064 1 928 . 1 1 81 81 HIS C C 13 176.857 0.300 . 1 . . . . 81 HIS C . 10064 1 929 . 1 1 81 81 HIS CA C 13 61.726 0.300 . 1 . . . . 81 HIS CA . 10064 1 930 . 1 1 81 81 HIS CB C 13 30.747 0.300 . 1 . . . . 81 HIS CB . 10064 1 931 . 1 1 81 81 HIS CD2 C 13 120.928 0.300 . 1 . . . . 81 HIS CD2 . 10064 1 932 . 1 1 81 81 HIS CE1 C 13 138.478 0.300 . 1 . . . . 81 HIS CE1 . 10064 1 933 . 1 1 81 81 HIS N N 15 123.129 0.300 . 1 . . . . 81 HIS N . 10064 1 934 . 1 1 82 82 ALA H H 1 9.068 0.030 . 1 . . . . 82 ALA H . 10064 1 935 . 1 1 82 82 ALA HA H 1 4.001 0.030 . 1 . . . . 82 ALA HA . 10064 1 936 . 1 1 82 82 ALA HB1 H 1 1.479 0.030 . 1 . . . . 82 ALA HB . 10064 1 937 . 1 1 82 82 ALA HB2 H 1 1.479 0.030 . 1 . . . . 82 ALA HB . 10064 1 938 . 1 1 82 82 ALA HB3 H 1 1.479 0.030 . 1 . . . . 82 ALA HB . 10064 1 939 . 1 1 82 82 ALA C C 13 180.227 0.300 . 1 . . . . 82 ALA C . 10064 1 940 . 1 1 82 82 ALA CA C 13 55.293 0.300 . 1 . . . . 82 ALA CA . 10064 1 941 . 1 1 82 82 ALA CB C 13 18.452 0.300 . 1 . . . . 82 ALA CB . 10064 1 942 . 1 1 82 82 ALA N N 15 117.320 0.300 . 1 . . . . 82 ALA N . 10064 1 943 . 1 1 83 83 ASP H H 1 7.227 0.030 . 1 . . . . 83 ASP H . 10064 1 944 . 1 1 83 83 ASP HA H 1 4.483 0.030 . 1 . . . . 83 ASP HA . 10064 1 945 . 1 1 83 83 ASP HB2 H 1 2.731 0.030 . 1 . . . . 83 ASP HB2 . 10064 1 946 . 1 1 83 83 ASP HB3 H 1 2.731 0.030 . 1 . . . . 83 ASP HB3 . 10064 1 947 . 1 1 83 83 ASP C C 13 178.436 0.300 . 1 . . . . 83 ASP C . 10064 1 948 . 1 1 83 83 ASP CA C 13 56.684 0.300 . 1 . . . . 83 ASP CA . 10064 1 949 . 1 1 83 83 ASP CB C 13 40.374 0.300 . 1 . . . . 83 ASP CB . 10064 1 950 . 1 1 83 83 ASP N N 15 116.910 0.300 . 1 . . . . 83 ASP N . 10064 1 951 . 1 1 84 84 ILE H H 1 7.599 0.030 . 1 . . . . 84 ILE H . 10064 1 952 . 1 1 84 84 ILE HA H 1 3.532 0.030 . 1 . . . . 84 ILE HA . 10064 1 953 . 1 1 84 84 ILE HB H 1 1.706 0.030 . 1 . . . . 84 ILE HB . 10064 1 954 . 1 1 84 84 ILE HG12 H 1 1.463 0.030 . 2 . . . . 84 ILE HG12 . 10064 1 955 . 1 1 84 84 ILE HG13 H 1 0.688 0.030 . 2 . . . . 84 ILE HG13 . 10064 1 956 . 1 1 84 84 ILE HG21 H 1 0.626 0.030 . 1 . . . . 84 ILE HG2 . 10064 1 957 . 1 1 84 84 ILE HG22 H 1 0.626 0.030 . 1 . . . . 84 ILE HG2 . 10064 1 958 . 1 1 84 84 ILE HG23 H 1 0.626 0.030 . 1 . . . . 84 ILE HG2 . 10064 1 959 . 1 1 84 84 ILE HD11 H 1 0.314 0.030 . 1 . . . . 84 ILE HD1 . 10064 1 960 . 1 1 84 84 ILE HD12 H 1 0.314 0.030 . 1 . . . . 84 ILE HD1 . 10064 1 961 . 1 1 84 84 ILE HD13 H 1 0.314 0.030 . 1 . . . . 84 ILE HD1 . 10064 1 962 . 1 1 84 84 ILE C C 13 177.444 0.300 . 1 . . . . 84 ILE C . 10064 1 963 . 1 1 84 84 ILE CA C 13 65.354 0.300 . 1 . . . . 84 ILE CA . 10064 1 964 . 1 1 84 84 ILE CB C 13 37.901 0.300 . 1 . . . . 84 ILE CB . 10064 1 965 . 1 1 84 84 ILE CG1 C 13 28.425 0.300 . 1 . . . . 84 ILE CG1 . 10064 1 966 . 1 1 84 84 ILE CG2 C 13 17.759 0.300 . 1 . . . . 84 ILE CG2 . 10064 1 967 . 1 1 84 84 ILE CD1 C 13 14.048 0.300 . 1 . . . . 84 ILE CD1 . 10064 1 968 . 1 1 84 84 ILE N N 15 123.580 0.300 . 1 . . . . 84 ILE N . 10064 1 969 . 1 1 85 85 VAL H H 1 7.762 0.030 . 1 . . . . 85 VAL H . 10064 1 970 . 1 1 85 85 VAL HA H 1 3.428 0.030 . 1 . . . . 85 VAL HA . 10064 1 971 . 1 1 85 85 VAL HB H 1 1.999 0.030 . 1 . . . . 85 VAL HB . 10064 1 972 . 1 1 85 85 VAL HG11 H 1 0.898 0.030 . 1 . . . . 85 VAL HG1 . 10064 1 973 . 1 1 85 85 VAL HG12 H 1 0.898 0.030 . 1 . . . . 85 VAL HG1 . 10064 1 974 . 1 1 85 85 VAL HG13 H 1 0.898 0.030 . 1 . . . . 85 VAL HG1 . 10064 1 975 . 1 1 85 85 VAL HG21 H 1 0.777 0.030 . 1 . . . . 85 VAL HG2 . 10064 1 976 . 1 1 85 85 VAL HG22 H 1 0.777 0.030 . 1 . . . . 85 VAL HG2 . 10064 1 977 . 1 1 85 85 VAL HG23 H 1 0.777 0.030 . 1 . . . . 85 VAL HG2 . 10064 1 978 . 1 1 85 85 VAL C C 13 178.920 0.300 . 1 . . . . 85 VAL C . 10064 1 979 . 1 1 85 85 VAL CA C 13 66.817 0.300 . 1 . . . . 85 VAL CA . 10064 1 980 . 1 1 85 85 VAL CB C 13 31.572 0.300 . 1 . . . . 85 VAL CB . 10064 1 981 . 1 1 85 85 VAL CG1 C 13 21.128 0.300 . 2 . . . . 85 VAL CG1 . 10064 1 982 . 1 1 85 85 VAL CG2 C 13 22.274 0.300 . 2 . . . . 85 VAL CG2 . 10064 1 983 . 1 1 85 85 VAL N N 15 117.951 0.300 . 1 . . . . 85 VAL N . 10064 1 984 . 1 1 86 86 LYS H H 1 7.269 0.030 . 1 . . . . 86 LYS H . 10064 1 985 . 1 1 86 86 LYS HA H 1 3.989 0.030 . 1 . . . . 86 LYS HA . 10064 1 986 . 1 1 86 86 LYS HB2 H 1 1.957 0.030 . 2 . . . . 86 LYS HB2 . 10064 1 987 . 1 1 86 86 LYS HB3 H 1 1.888 0.030 . 2 . . . . 86 LYS HB3 . 10064 1 988 . 1 1 86 86 LYS HG2 H 1 1.534 0.030 . 2 . . . . 86 LYS HG2 . 10064 1 989 . 1 1 86 86 LYS HG3 H 1 1.464 0.030 . 2 . . . . 86 LYS HG3 . 10064 1 990 . 1 1 86 86 LYS HD2 H 1 1.773 0.030 . 1 . . . . 86 LYS HD2 . 10064 1 991 . 1 1 86 86 LYS HD3 H 1 1.773 0.030 . 1 . . . . 86 LYS HD3 . 10064 1 992 . 1 1 86 86 LYS HE2 H 1 3.020 0.030 . 1 . . . . 86 LYS HE2 . 10064 1 993 . 1 1 86 86 LYS HE3 H 1 3.020 0.030 . 1 . . . . 86 LYS HE3 . 10064 1 994 . 1 1 86 86 LYS C C 13 177.105 0.300 . 1 . . . . 86 LYS C . 10064 1 995 . 1 1 86 86 LYS CA C 13 59.696 0.300 . 1 . . . . 86 LYS CA . 10064 1 996 . 1 1 86 86 LYS CB C 13 32.545 0.300 . 1 . . . . 86 LYS CB . 10064 1 997 . 1 1 86 86 LYS CG C 13 25.275 0.300 . 1 . . . . 86 LYS CG . 10064 1 998 . 1 1 86 86 LYS CD C 13 29.231 0.300 . 1 . . . . 86 LYS CD . 10064 1 999 . 1 1 86 86 LYS CE C 13 42.416 0.300 . 1 . . . . 86 LYS CE . 10064 1 1000 . 1 1 86 86 LYS N N 15 120.202 0.300 . 1 . . . . 86 LYS N . 10064 1 1001 . 1 1 87 87 LEU H H 1 7.623 0.030 . 1 . . . . 87 LEU H . 10064 1 1002 . 1 1 87 87 LEU HA H 1 4.087 0.030 . 1 . . . . 87 LEU HA . 10064 1 1003 . 1 1 87 87 LEU HB2 H 1 1.892 0.030 . 2 . . . . 87 LEU HB2 . 10064 1 1004 . 1 1 87 87 LEU HB3 H 1 1.679 0.030 . 2 . . . . 87 LEU HB3 . 10064 1 1005 . 1 1 87 87 LEU HG H 1 1.725 0.030 . 1 . . . . 87 LEU HG . 10064 1 1006 . 1 1 87 87 LEU HD11 H 1 0.837 0.030 . 1 . . . . 87 LEU HD1 . 10064 1 1007 . 1 1 87 87 LEU HD12 H 1 0.837 0.030 . 1 . . . . 87 LEU HD1 . 10064 1 1008 . 1 1 87 87 LEU HD13 H 1 0.837 0.030 . 1 . . . . 87 LEU HD1 . 10064 1 1009 . 1 1 87 87 LEU HD21 H 1 0.796 0.030 . 1 . . . . 87 LEU HD2 . 10064 1 1010 . 1 1 87 87 LEU HD22 H 1 0.796 0.030 . 1 . . . . 87 LEU HD2 . 10064 1 1011 . 1 1 87 87 LEU HD23 H 1 0.796 0.030 . 1 . . . . 87 LEU HD2 . 10064 1 1012 . 1 1 87 87 LEU C C 13 179.937 0.300 . 1 . . . . 87 LEU C . 10064 1 1013 . 1 1 87 87 LEU CA C 13 58.120 0.300 . 1 . . . . 87 LEU CA . 10064 1 1014 . 1 1 87 87 LEU CB C 13 42.614 0.300 . 1 . . . . 87 LEU CB . 10064 1 1015 . 1 1 87 87 LEU CG C 13 26.706 0.300 . 1 . . . . 87 LEU CG . 10064 1 1016 . 1 1 87 87 LEU CD1 C 13 25.262 0.300 . 2 . . . . 87 LEU CD1 . 10064 1 1017 . 1 1 87 87 LEU CD2 C 13 24.565 0.300 . 2 . . . . 87 LEU CD2 . 10064 1 1018 . 1 1 87 87 LEU N N 15 119.721 0.300 . 1 . . . . 87 LEU N . 10064 1 1019 . 1 1 88 88 ILE H H 1 7.794 0.030 . 1 . . . . 88 ILE H . 10064 1 1020 . 1 1 88 88 ILE HA H 1 3.559 0.030 . 1 . . . . 88 ILE HA . 10064 1 1021 . 1 1 88 88 ILE HB H 1 1.981 0.030 . 1 . . . . 88 ILE HB . 10064 1 1022 . 1 1 88 88 ILE HG12 H 1 1.805 0.030 . 2 . . . . 88 ILE HG12 . 10064 1 1023 . 1 1 88 88 ILE HG13 H 1 1.016 0.030 . 2 . . . . 88 ILE HG13 . 10064 1 1024 . 1 1 88 88 ILE HG21 H 1 1.014 0.030 . 1 . . . . 88 ILE HG2 . 10064 1 1025 . 1 1 88 88 ILE HG22 H 1 1.014 0.030 . 1 . . . . 88 ILE HG2 . 10064 1 1026 . 1 1 88 88 ILE HG23 H 1 1.014 0.030 . 1 . . . . 88 ILE HG2 . 10064 1 1027 . 1 1 88 88 ILE HD11 H 1 0.817 0.030 . 1 . . . . 88 ILE HD1 . 10064 1 1028 . 1 1 88 88 ILE HD12 H 1 0.817 0.030 . 1 . . . . 88 ILE HD1 . 10064 1 1029 . 1 1 88 88 ILE HD13 H 1 0.817 0.030 . 1 . . . . 88 ILE HD1 . 10064 1 1030 . 1 1 88 88 ILE C C 13 178.388 0.300 . 1 . . . . 88 ILE C . 10064 1 1031 . 1 1 88 88 ILE CA C 13 64.673 0.300 . 1 . . . . 88 ILE CA . 10064 1 1032 . 1 1 88 88 ILE CB C 13 37.706 0.300 . 1 . . . . 88 ILE CB . 10064 1 1033 . 1 1 88 88 ILE CG1 C 13 29.869 0.300 . 1 . . . . 88 ILE CG1 . 10064 1 1034 . 1 1 88 88 ILE CG2 C 13 18.218 0.300 . 1 . . . . 88 ILE CG2 . 10064 1 1035 . 1 1 88 88 ILE CD1 C 13 13.489 0.300 . 1 . . . . 88 ILE CD1 . 10064 1 1036 . 1 1 88 88 ILE N N 15 117.419 0.300 . 1 . . . . 88 ILE N . 10064 1 1037 . 1 1 89 89 LYS H H 1 8.189 0.030 . 1 . . . . 89 LYS H . 10064 1 1038 . 1 1 89 89 LYS HA H 1 4.120 0.030 . 1 . . . . 89 LYS HA . 10064 1 1039 . 1 1 89 89 LYS HB2 H 1 2.034 0.030 . 2 . . . . 89 LYS HB2 . 10064 1 1040 . 1 1 89 89 LYS HB3 H 1 1.959 0.030 . 2 . . . . 89 LYS HB3 . 10064 1 1041 . 1 1 89 89 LYS HG2 H 1 1.593 0.030 . 2 . . . . 89 LYS HG2 . 10064 1 1042 . 1 1 89 89 LYS HG3 H 1 1.516 0.030 . 2 . . . . 89 LYS HG3 . 10064 1 1043 . 1 1 89 89 LYS HD2 H 1 1.669 0.030 . 1 . . . . 89 LYS HD2 . 10064 1 1044 . 1 1 89 89 LYS HD3 H 1 1.669 0.030 . 1 . . . . 89 LYS HD3 . 10064 1 1045 . 1 1 89 89 LYS HE2 H 1 2.997 0.030 . 1 . . . . 89 LYS HE2 . 10064 1 1046 . 1 1 89 89 LYS HE3 H 1 2.997 0.030 . 1 . . . . 89 LYS HE3 . 10064 1 1047 . 1 1 89 89 LYS C C 13 178.993 0.300 . 1 . . . . 89 LYS C . 10064 1 1048 . 1 1 89 89 LYS CA C 13 59.620 0.300 . 1 . . . . 89 LYS CA . 10064 1 1049 . 1 1 89 89 LYS CB C 13 32.317 0.300 . 1 . . . . 89 LYS CB . 10064 1 1050 . 1 1 89 89 LYS CG C 13 25.034 0.300 . 1 . . . . 89 LYS CG . 10064 1 1051 . 1 1 89 89 LYS CD C 13 29.090 0.300 . 1 . . . . 89 LYS CD . 10064 1 1052 . 1 1 89 89 LYS CE C 13 42.004 0.300 . 1 . . . . 89 LYS CE . 10064 1 1053 . 1 1 89 89 LYS N N 15 121.734 0.300 . 1 . . . . 89 LYS N . 10064 1 1054 . 1 1 90 90 ASP H H 1 8.262 0.030 . 1 . . . . 90 ASP H . 10064 1 1055 . 1 1 90 90 ASP HA H 1 4.649 0.030 . 1 . . . . 90 ASP HA . 10064 1 1056 . 1 1 90 90 ASP HB2 H 1 2.839 0.030 . 2 . . . . 90 ASP HB2 . 10064 1 1057 . 1 1 90 90 ASP HB3 H 1 2.712 0.030 . 2 . . . . 90 ASP HB3 . 10064 1 1058 . 1 1 90 90 ASP C C 13 176.815 0.300 . 1 . . . . 90 ASP C . 10064 1 1059 . 1 1 90 90 ASP CA C 13 55.131 0.300 . 1 . . . . 90 ASP CA . 10064 1 1060 . 1 1 90 90 ASP CB C 13 40.576 0.300 . 1 . . . . 90 ASP CB . 10064 1 1061 . 1 1 90 90 ASP N N 15 118.066 0.300 . 1 . . . . 90 ASP N . 10064 1 1062 . 1 1 91 91 ALA H H 1 7.521 0.030 . 1 . . . . 91 ALA H . 10064 1 1063 . 1 1 91 91 ALA HA H 1 4.248 0.030 . 1 . . . . 91 ALA HA . 10064 1 1064 . 1 1 91 91 ALA HB1 H 1 1.719 0.030 . 1 . . . . 91 ALA HB . 10064 1 1065 . 1 1 91 91 ALA HB2 H 1 1.719 0.030 . 1 . . . . 91 ALA HB . 10064 1 1066 . 1 1 91 91 ALA HB3 H 1 1.719 0.030 . 1 . . . . 91 ALA HB . 10064 1 1067 . 1 1 91 91 ALA C C 13 177.807 0.300 . 1 . . . . 91 ALA C . 10064 1 1068 . 1 1 91 91 ALA CA C 13 53.877 0.300 . 1 . . . . 91 ALA CA . 10064 1 1069 . 1 1 91 91 ALA CB C 13 19.250 0.300 . 1 . . . . 91 ALA CB . 10064 1 1070 . 1 1 91 91 ALA N N 15 122.529 0.300 . 1 . . . . 91 ALA N . 10064 1 1071 . 1 1 92 92 GLY H H 1 8.005 0.030 . 1 . . . . 92 GLY H . 10064 1 1072 . 1 1 92 92 GLY HA2 H 1 4.283 0.030 . 2 . . . . 92 GLY HA2 . 10064 1 1073 . 1 1 92 92 GLY HA3 H 1 3.920 0.030 . 2 . . . . 92 GLY HA3 . 10064 1 1074 . 1 1 92 92 GLY C C 13 175.266 0.300 . 1 . . . . 92 GLY C . 10064 1 1075 . 1 1 92 92 GLY CA C 13 45.036 0.300 . 1 . . . . 92 GLY CA . 10064 1 1076 . 1 1 92 92 GLY N N 15 104.875 0.300 . 1 . . . . 92 GLY N . 10064 1 1077 . 1 1 93 93 LEU H H 1 8.854 0.030 . 1 . . . . 93 LEU H . 10064 1 1078 . 1 1 93 93 LEU HA H 1 4.190 0.030 . 1 . . . . 93 LEU HA . 10064 1 1079 . 1 1 93 93 LEU HB2 H 1 2.227 0.030 . 2 . . . . 93 LEU HB2 . 10064 1 1080 . 1 1 93 93 LEU HB3 H 1 1.808 0.030 . 2 . . . . 93 LEU HB3 . 10064 1 1081 . 1 1 93 93 LEU HG H 1 1.751 0.030 . 1 . . . . 93 LEU HG . 10064 1 1082 . 1 1 93 93 LEU HD11 H 1 1.011 0.030 . 1 . . . . 93 LEU HD1 . 10064 1 1083 . 1 1 93 93 LEU HD12 H 1 1.011 0.030 . 1 . . . . 93 LEU HD1 . 10064 1 1084 . 1 1 93 93 LEU HD13 H 1 1.011 0.030 . 1 . . . . 93 LEU HD1 . 10064 1 1085 . 1 1 93 93 LEU HD21 H 1 0.670 0.030 . 1 . . . . 93 LEU HD2 . 10064 1 1086 . 1 1 93 93 LEU HD22 H 1 0.670 0.030 . 1 . . . . 93 LEU HD2 . 10064 1 1087 . 1 1 93 93 LEU HD23 H 1 0.670 0.030 . 1 . . . . 93 LEU HD2 . 10064 1 1088 . 1 1 93 93 LEU C C 13 175.919 0.300 . 1 . . . . 93 LEU C . 10064 1 1089 . 1 1 93 93 LEU CA C 13 56.105 0.300 . 1 . . . . 93 LEU CA . 10064 1 1090 . 1 1 93 93 LEU CB C 13 40.624 0.300 . 1 . . . . 93 LEU CB . 10064 1 1091 . 1 1 93 93 LEU CG C 13 27.089 0.300 . 1 . . . . 93 LEU CG . 10064 1 1092 . 1 1 93 93 LEU CD1 C 13 25.499 0.300 . 2 . . . . 93 LEU CD1 . 10064 1 1093 . 1 1 93 93 LEU CD2 C 13 21.650 0.300 . 2 . . . . 93 LEU CD2 . 10064 1 1094 . 1 1 93 93 LEU N N 15 121.915 0.300 . 1 . . . . 93 LEU N . 10064 1 1095 . 1 1 94 94 SER H H 1 7.715 0.030 . 1 . . . . 94 SER H . 10064 1 1096 . 1 1 94 94 SER HA H 1 5.829 0.030 . 1 . . . . 94 SER HA . 10064 1 1097 . 1 1 94 94 SER HB2 H 1 3.701 0.030 . 2 . . . . 94 SER HB2 . 10064 1 1098 . 1 1 94 94 SER HB3 H 1 3.454 0.030 . 2 . . . . 94 SER HB3 . 10064 1 1099 . 1 1 94 94 SER C C 13 172.410 0.300 . 1 . . . . 94 SER C . 10064 1 1100 . 1 1 94 94 SER CA C 13 56.870 0.300 . 1 . . . . 94 SER CA . 10064 1 1101 . 1 1 94 94 SER CB C 13 65.920 0.300 . 1 . . . . 94 SER CB . 10064 1 1102 . 1 1 94 94 SER N N 15 111.749 0.300 . 1 . . . . 94 SER N . 10064 1 1103 . 1 1 95 95 VAL H H 1 8.567 0.030 . 1 . . . . 95 VAL H . 10064 1 1104 . 1 1 95 95 VAL HA H 1 4.786 0.030 . 1 . . . . 95 VAL HA . 10064 1 1105 . 1 1 95 95 VAL HB H 1 1.505 0.030 . 1 . . . . 95 VAL HB . 10064 1 1106 . 1 1 95 95 VAL HG11 H 1 0.596 0.030 . 1 . . . . 95 VAL HG1 . 10064 1 1107 . 1 1 95 95 VAL HG12 H 1 0.596 0.030 . 1 . . . . 95 VAL HG1 . 10064 1 1108 . 1 1 95 95 VAL HG13 H 1 0.596 0.030 . 1 . . . . 95 VAL HG1 . 10064 1 1109 . 1 1 95 95 VAL HG21 H 1 0.133 0.030 . 1 . . . . 95 VAL HG2 . 10064 1 1110 . 1 1 95 95 VAL HG22 H 1 0.133 0.030 . 1 . . . . 95 VAL HG2 . 10064 1 1111 . 1 1 95 95 VAL HG23 H 1 0.133 0.030 . 1 . . . . 95 VAL HG2 . 10064 1 1112 . 1 1 95 95 VAL C C 13 172.095 0.300 . 1 . . . . 95 VAL C . 10064 1 1113 . 1 1 95 95 VAL CA C 13 59.486 0.300 . 1 . . . . 95 VAL CA . 10064 1 1114 . 1 1 95 95 VAL CB C 13 35.294 0.300 . 1 . . . . 95 VAL CB . 10064 1 1115 . 1 1 95 95 VAL CG1 C 13 21.910 0.300 . 2 . . . . 95 VAL CG1 . 10064 1 1116 . 1 1 95 95 VAL CG2 C 13 19.590 0.300 . 2 . . . . 95 VAL CG2 . 10064 1 1117 . 1 1 95 95 VAL N N 15 120.055 0.300 . 1 . . . . 95 VAL N . 10064 1 1118 . 1 1 96 96 THR H H 1 8.267 0.030 . 1 . . . . 96 THR H . 10064 1 1119 . 1 1 96 96 THR HA H 1 5.121 0.030 . 1 . . . . 96 THR HA . 10064 1 1120 . 1 1 96 96 THR HB H 1 3.964 0.030 . 1 . . . . 96 THR HB . 10064 1 1121 . 1 1 96 96 THR HG21 H 1 0.925 0.030 . 1 . . . . 96 THR HG2 . 10064 1 1122 . 1 1 96 96 THR HG22 H 1 0.925 0.030 . 1 . . . . 96 THR HG2 . 10064 1 1123 . 1 1 96 96 THR HG23 H 1 0.925 0.030 . 1 . . . . 96 THR HG2 . 10064 1 1124 . 1 1 96 96 THR C C 13 174.733 0.300 . 1 . . . . 96 THR C . 10064 1 1125 . 1 1 96 96 THR CA C 13 60.894 0.300 . 1 . . . . 96 THR CA . 10064 1 1126 . 1 1 96 96 THR CB C 13 69.634 0.300 . 1 . . . . 96 THR CB . 10064 1 1127 . 1 1 96 96 THR CG2 C 13 21.185 0.300 . 1 . . . . 96 THR CG2 . 10064 1 1128 . 1 1 96 96 THR N N 15 120.567 0.300 . 1 . . . . 96 THR N . 10064 1 1129 . 1 1 97 97 LEU H H 1 9.516 0.030 . 1 . . . . 97 LEU H . 10064 1 1130 . 1 1 97 97 LEU HA H 1 4.971 0.030 . 1 . . . . 97 LEU HA . 10064 1 1131 . 1 1 97 97 LEU HB2 H 1 1.579 0.030 . 2 . . . . 97 LEU HB2 . 10064 1 1132 . 1 1 97 97 LEU HB3 H 1 1.041 0.030 . 2 . . . . 97 LEU HB3 . 10064 1 1133 . 1 1 97 97 LEU HG H 1 1.334 0.030 . 1 . . . . 97 LEU HG . 10064 1 1134 . 1 1 97 97 LEU HD11 H 1 0.524 0.030 . 1 . . . . 97 LEU HD1 . 10064 1 1135 . 1 1 97 97 LEU HD12 H 1 0.524 0.030 . 1 . . . . 97 LEU HD1 . 10064 1 1136 . 1 1 97 97 LEU HD13 H 1 0.524 0.030 . 1 . . . . 97 LEU HD1 . 10064 1 1137 . 1 1 97 97 LEU HD21 H 1 0.083 0.030 . 1 . . . . 97 LEU HD2 . 10064 1 1138 . 1 1 97 97 LEU HD22 H 1 0.083 0.030 . 1 . . . . 97 LEU HD2 . 10064 1 1139 . 1 1 97 97 LEU HD23 H 1 0.083 0.030 . 1 . . . . 97 LEU HD2 . 10064 1 1140 . 1 1 97 97 LEU C C 13 174.516 0.300 . 1 . . . . 97 LEU C . 10064 1 1141 . 1 1 97 97 LEU CA C 13 52.620 0.300 . 1 . . . . 97 LEU CA . 10064 1 1142 . 1 1 97 97 LEU CB C 13 44.311 0.300 . 1 . . . . 97 LEU CB . 10064 1 1143 . 1 1 97 97 LEU CG C 13 26.672 0.300 . 1 . . . . 97 LEU CG . 10064 1 1144 . 1 1 97 97 LEU CD1 C 13 23.774 0.300 . 2 . . . . 97 LEU CD1 . 10064 1 1145 . 1 1 97 97 LEU CD2 C 13 25.422 0.300 . 2 . . . . 97 LEU CD2 . 10064 1 1146 . 1 1 97 97 LEU N N 15 128.930 0.300 . 1 . . . . 97 LEU N . 10064 1 1147 . 1 1 98 98 ARG H H 1 8.224 0.030 . 1 . . . . 98 ARG H . 10064 1 1148 . 1 1 98 98 ARG HA H 1 5.329 0.030 . 1 . . . . 98 ARG HA . 10064 1 1149 . 1 1 98 98 ARG HB2 H 1 1.760 0.030 . 1 . . . . 98 ARG HB2 . 10064 1 1150 . 1 1 98 98 ARG HB3 H 1 1.760 0.030 . 1 . . . . 98 ARG HB3 . 10064 1 1151 . 1 1 98 98 ARG HG2 H 1 1.556 0.030 . 2 . . . . 98 ARG HG2 . 10064 1 1152 . 1 1 98 98 ARG HG3 H 1 1.433 0.030 . 2 . . . . 98 ARG HG3 . 10064 1 1153 . 1 1 98 98 ARG HD2 H 1 2.965 0.030 . 2 . . . . 98 ARG HD2 . 10064 1 1154 . 1 1 98 98 ARG HD3 H 1 3.176 0.030 . 2 . . . . 98 ARG HD3 . 10064 1 1155 . 1 1 98 98 ARG C C 13 175.665 0.300 . 1 . . . . 98 ARG C . 10064 1 1156 . 1 1 98 98 ARG CA C 13 55.528 0.300 . 1 . . . . 98 ARG CA . 10064 1 1157 . 1 1 98 98 ARG CB C 13 31.823 0.300 . 1 . . . . 98 ARG CB . 10064 1 1158 . 1 1 98 98 ARG CG C 13 27.051 0.300 . 1 . . . . 98 ARG CG . 10064 1 1159 . 1 1 98 98 ARG CD C 13 43.153 0.300 . 1 . . . . 98 ARG CD . 10064 1 1160 . 1 1 98 98 ARG N N 15 125.431 0.300 . 1 . . . . 98 ARG N . 10064 1 1161 . 1 1 99 99 ILE H H 1 9.279 0.030 . 1 . . . . 99 ILE H . 10064 1 1162 . 1 1 99 99 ILE HA H 1 5.599 0.030 . 1 . . . . 99 ILE HA . 10064 1 1163 . 1 1 99 99 ILE HB H 1 1.790 0.030 . 1 . . . . 99 ILE HB . 10064 1 1164 . 1 1 99 99 ILE HG12 H 1 1.212 0.030 . 2 . . . . 99 ILE HG12 . 10064 1 1165 . 1 1 99 99 ILE HG13 H 1 1.048 0.030 . 2 . . . . 99 ILE HG13 . 10064 1 1166 . 1 1 99 99 ILE HG21 H 1 0.659 0.030 . 1 . . . . 99 ILE HG2 . 10064 1 1167 . 1 1 99 99 ILE HG22 H 1 0.659 0.030 . 1 . . . . 99 ILE HG2 . 10064 1 1168 . 1 1 99 99 ILE HG23 H 1 0.659 0.030 . 1 . . . . 99 ILE HG2 . 10064 1 1169 . 1 1 99 99 ILE HD11 H 1 0.730 0.030 . 1 . . . . 99 ILE HD1 . 10064 1 1170 . 1 1 99 99 ILE HD12 H 1 0.730 0.030 . 1 . . . . 99 ILE HD1 . 10064 1 1171 . 1 1 99 99 ILE HD13 H 1 0.730 0.030 . 1 . . . . 99 ILE HD1 . 10064 1 1172 . 1 1 99 99 ILE C C 13 175.701 0.300 . 1 . . . . 99 ILE C . 10064 1 1173 . 1 1 99 99 ILE CA C 13 58.528 0.300 . 1 . . . . 99 ILE CA . 10064 1 1174 . 1 1 99 99 ILE CB C 13 42.521 0.300 . 1 . . . . 99 ILE CB . 10064 1 1175 . 1 1 99 99 ILE CG1 C 13 26.300 0.300 . 1 . . . . 99 ILE CG1 . 10064 1 1176 . 1 1 99 99 ILE CG2 C 13 18.280 0.300 . 1 . . . . 99 ILE CG2 . 10064 1 1177 . 1 1 99 99 ILE CD1 C 13 14.825 0.300 . 1 . . . . 99 ILE CD1 . 10064 1 1178 . 1 1 99 99 ILE N N 15 122.941 0.300 . 1 . . . . 99 ILE N . 10064 1 1179 . 1 1 100 100 ILE H H 1 8.504 0.030 . 1 . . . . 100 ILE H . 10064 1 1180 . 1 1 100 100 ILE HA H 1 4.785 0.030 . 1 . . . . 100 ILE HA . 10064 1 1181 . 1 1 100 100 ILE HB H 1 1.699 0.030 . 1 . . . . 100 ILE HB . 10064 1 1182 . 1 1 100 100 ILE HG12 H 1 1.529 0.030 . 2 . . . . 100 ILE HG12 . 10064 1 1183 . 1 1 100 100 ILE HG13 H 1 1.016 0.030 . 2 . . . . 100 ILE HG13 . 10064 1 1184 . 1 1 100 100 ILE HG21 H 1 0.964 0.030 . 1 . . . . 100 ILE HG2 . 10064 1 1185 . 1 1 100 100 ILE HG22 H 1 0.964 0.030 . 1 . . . . 100 ILE HG2 . 10064 1 1186 . 1 1 100 100 ILE HG23 H 1 0.964 0.030 . 1 . . . . 100 ILE HG2 . 10064 1 1187 . 1 1 100 100 ILE HD11 H 1 0.860 0.030 . 1 . . . . 100 ILE HD1 . 10064 1 1188 . 1 1 100 100 ILE HD12 H 1 0.860 0.030 . 1 . . . . 100 ILE HD1 . 10064 1 1189 . 1 1 100 100 ILE HD13 H 1 0.860 0.030 . 1 . . . . 100 ILE HD1 . 10064 1 1190 . 1 1 100 100 ILE C C 13 174.177 0.300 . 1 . . . . 100 ILE C . 10064 1 1191 . 1 1 100 100 ILE CA C 13 58.435 0.300 . 1 . . . . 100 ILE CA . 10064 1 1192 . 1 1 100 100 ILE CB C 13 40.887 0.300 . 1 . . . . 100 ILE CB . 10064 1 1193 . 1 1 100 100 ILE CG1 C 13 27.484 0.300 . 1 . . . . 100 ILE CG1 . 10064 1 1194 . 1 1 100 100 ILE CG2 C 13 17.768 0.300 . 1 . . . . 100 ILE CG2 . 10064 1 1195 . 1 1 100 100 ILE CD1 C 13 14.524 0.300 . 1 . . . . 100 ILE CD1 . 10064 1 1196 . 1 1 100 100 ILE N N 15 119.614 0.300 . 1 . . . . 100 ILE N . 10064 1 1197 . 1 1 101 101 PRO HA H 1 4.561 0.030 . 1 . . . . 101 PRO HA . 10064 1 1198 . 1 1 101 101 PRO HB2 H 1 2.372 0.030 . 2 . . . . 101 PRO HB2 . 10064 1 1199 . 1 1 101 101 PRO HB3 H 1 1.925 0.030 . 2 . . . . 101 PRO HB3 . 10064 1 1200 . 1 1 101 101 PRO HG2 H 1 2.043 0.030 . 2 . . . . 101 PRO HG2 . 10064 1 1201 . 1 1 101 101 PRO HG3 H 1 1.888 0.030 . 2 . . . . 101 PRO HG3 . 10064 1 1202 . 1 1 101 101 PRO HD2 H 1 3.783 0.030 . 2 . . . . 101 PRO HD2 . 10064 1 1203 . 1 1 101 101 PRO HD3 H 1 3.755 0.030 . 2 . . . . 101 PRO HD3 . 10064 1 1204 . 1 1 101 101 PRO C C 13 177.197 0.300 . 1 . . . . 101 PRO C . 10064 1 1205 . 1 1 101 101 PRO CA C 13 62.313 0.300 . 1 . . . . 101 PRO CA . 10064 1 1206 . 1 1 101 101 PRO CB C 13 32.566 0.300 . 1 . . . . 101 PRO CB . 10064 1 1207 . 1 1 101 101 PRO CG C 13 27.390 0.300 . 1 . . . . 101 PRO CG . 10064 1 1208 . 1 1 101 101 PRO CD C 13 51.759 0.300 . 1 . . . . 101 PRO CD . 10064 1 1209 . 1 1 102 102 GLN H H 1 9.099 0.030 . 1 . . . . 102 GLN H . 10064 1 1210 . 1 1 102 102 GLN HA H 1 4.151 0.030 . 1 . . . . 102 GLN HA . 10064 1 1211 . 1 1 102 102 GLN HB2 H 1 2.038 0.030 . 1 . . . . 102 GLN HB2 . 10064 1 1212 . 1 1 102 102 GLN HB3 H 1 2.038 0.030 . 1 . . . . 102 GLN HB3 . 10064 1 1213 . 1 1 102 102 GLN HG2 H 1 2.408 0.030 . 1 . . . . 102 GLN HG2 . 10064 1 1214 . 1 1 102 102 GLN HG3 H 1 2.408 0.030 . 1 . . . . 102 GLN HG3 . 10064 1 1215 . 1 1 102 102 GLN HE21 H 1 7.684 0.030 . 2 . . . . 102 GLN HE21 . 10064 1 1216 . 1 1 102 102 GLN HE22 H 1 6.868 0.030 . 2 . . . . 102 GLN HE22 . 10064 1 1217 . 1 1 102 102 GLN C C 13 176.282 0.300 . 1 . . . . 102 GLN C . 10064 1 1218 . 1 1 102 102 GLN CA C 13 57.034 0.300 . 1 . . . . 102 GLN CA . 10064 1 1219 . 1 1 102 102 GLN CB C 13 29.598 0.300 . 1 . . . . 102 GLN CB . 10064 1 1220 . 1 1 102 102 GLN CG C 13 33.928 0.300 . 1 . . . . 102 GLN CG . 10064 1 1221 . 1 1 102 102 GLN N N 15 122.548 0.300 . 1 . . . . 102 GLN N . 10064 1 1222 . 1 1 102 102 GLN NE2 N 15 112.573 0.300 . 1 . . . . 102 GLN NE2 . 10064 1 1223 . 1 1 103 103 GLU H H 1 8.791 0.030 . 1 . . . . 103 GLU H . 10064 1 1224 . 1 1 103 103 GLU HA H 1 4.235 0.030 . 1 . . . . 103 GLU HA . 10064 1 1225 . 1 1 103 103 GLU HB2 H 1 2.037 0.030 . 1 . . . . 103 GLU HB2 . 10064 1 1226 . 1 1 103 103 GLU HB3 H 1 2.037 0.030 . 1 . . . . 103 GLU HB3 . 10064 1 1227 . 1 1 103 103 GLU HG2 H 1 2.270 0.030 . 1 . . . . 103 GLU HG2 . 10064 1 1228 . 1 1 103 103 GLU HG3 H 1 2.270 0.030 . 1 . . . . 103 GLU HG3 . 10064 1 1229 . 1 1 103 103 GLU C C 13 176.573 0.300 . 1 . . . . 103 GLU C . 10064 1 1230 . 1 1 103 103 GLU CA C 13 57.111 0.300 . 1 . . . . 103 GLU CA . 10064 1 1231 . 1 1 103 103 GLU CB C 13 30.294 0.300 . 1 . . . . 103 GLU CB . 10064 1 1232 . 1 1 103 103 GLU CG C 13 36.318 0.300 . 1 . . . . 103 GLU CG . 10064 1 1233 . 1 1 103 103 GLU N N 15 122.185 0.300 . 1 . . . . 103 GLU N . 10064 1 1234 . 1 1 104 104 GLU H H 1 8.367 0.030 . 1 . . . . 104 GLU H . 10064 1 1235 . 1 1 104 104 GLU HA H 1 4.286 0.030 . 1 . . . . 104 GLU HA . 10064 1 1236 . 1 1 104 104 GLU HB2 H 1 2.094 0.030 . 2 . . . . 104 GLU HB2 . 10064 1 1237 . 1 1 104 104 GLU HB3 H 1 1.940 0.030 . 2 . . . . 104 GLU HB3 . 10064 1 1238 . 1 1 104 104 GLU HG2 H 1 2.314 0.030 . 1 . . . . 104 GLU HG2 . 10064 1 1239 . 1 1 104 104 GLU HG3 H 1 2.314 0.030 . 1 . . . . 104 GLU HG3 . 10064 1 1240 . 1 1 104 104 GLU C C 13 176.545 0.300 . 1 . . . . 104 GLU C . 10064 1 1241 . 1 1 104 104 GLU CA C 13 56.544 0.300 . 1 . . . . 104 GLU CA . 10064 1 1242 . 1 1 104 104 GLU CB C 13 30.312 0.300 . 1 . . . . 104 GLU CB . 10064 1 1243 . 1 1 104 104 GLU CG C 13 36.186 0.300 . 1 . . . . 104 GLU CG . 10064 1 1244 . 1 1 104 104 GLU N N 15 121.750 0.300 . 1 . . . . 104 GLU N . 10064 1 1245 . 1 1 105 105 LEU H H 1 8.177 0.030 . 1 . . . . 105 LEU H . 10064 1 1246 . 1 1 105 105 LEU HA H 1 4.371 0.030 . 1 . . . . 105 LEU HA . 10064 1 1247 . 1 1 105 105 LEU HB2 H 1 1.659 0.030 . 2 . . . . 105 LEU HB2 . 10064 1 1248 . 1 1 105 105 LEU HB3 H 1 1.613 0.030 . 2 . . . . 105 LEU HB3 . 10064 1 1249 . 1 1 105 105 LEU HG H 1 1.624 0.030 . 1 . . . . 105 LEU HG . 10064 1 1250 . 1 1 105 105 LEU HD11 H 1 0.930 0.030 . 1 . . . . 105 LEU HD1 . 10064 1 1251 . 1 1 105 105 LEU HD12 H 1 0.930 0.030 . 1 . . . . 105 LEU HD1 . 10064 1 1252 . 1 1 105 105 LEU HD13 H 1 0.930 0.030 . 1 . . . . 105 LEU HD1 . 10064 1 1253 . 1 1 105 105 LEU HD21 H 1 0.874 0.030 . 1 . . . . 105 LEU HD2 . 10064 1 1254 . 1 1 105 105 LEU HD22 H 1 0.874 0.030 . 1 . . . . 105 LEU HD2 . 10064 1 1255 . 1 1 105 105 LEU HD23 H 1 0.874 0.030 . 1 . . . . 105 LEU HD2 . 10064 1 1256 . 1 1 105 105 LEU C C 13 176.881 0.300 . 1 . . . . 105 LEU C . 10064 1 1257 . 1 1 105 105 LEU CA C 13 55.248 0.300 . 1 . . . . 105 LEU CA . 10064 1 1258 . 1 1 105 105 LEU CB C 13 42.453 0.300 . 1 . . . . 105 LEU CB . 10064 1 1259 . 1 1 105 105 LEU CG C 13 27.171 0.300 . 1 . . . . 105 LEU CG . 10064 1 1260 . 1 1 105 105 LEU CD1 C 13 24.939 0.300 . 2 . . . . 105 LEU CD1 . 10064 1 1261 . 1 1 105 105 LEU CD2 C 13 23.793 0.300 . 2 . . . . 105 LEU CD2 . 10064 1 1262 . 1 1 105 105 LEU N N 15 122.819 0.300 . 1 . . . . 105 LEU N . 10064 1 1263 . 1 1 106 106 ASN H H 1 8.438 0.030 . 1 . . . . 106 ASN H . 10064 1 1264 . 1 1 106 106 ASN HA H 1 4.740 0.030 . 1 . . . . 106 ASN HA . 10064 1 1265 . 1 1 106 106 ASN HB2 H 1 2.732 0.030 . 2 . . . . 106 ASN HB2 . 10064 1 1266 . 1 1 106 106 ASN HB3 H 1 2.819 0.030 . 2 . . . . 106 ASN HB3 . 10064 1 1267 . 1 1 106 106 ASN HD21 H 1 7.640 0.030 . 2 . . . . 106 ASN HD21 . 10064 1 1268 . 1 1 106 106 ASN HD22 H 1 6.912 0.030 . 2 . . . . 106 ASN HD22 . 10064 1 1269 . 1 1 106 106 ASN C C 13 174.612 0.300 . 1 . . . . 106 ASN C . 10064 1 1270 . 1 1 106 106 ASN CA C 13 53.216 0.300 . 1 . . . . 106 ASN CA . 10064 1 1271 . 1 1 106 106 ASN CB C 13 39.155 0.300 . 1 . . . . 106 ASN CB . 10064 1 1272 . 1 1 106 106 ASN N N 15 119.836 0.300 . 1 . . . . 106 ASN N . 10064 1 1273 . 1 1 106 106 ASN ND2 N 15 113.310 0.300 . 1 . . . . 106 ASN ND2 . 10064 1 1274 . 1 1 107 107 SER H H 1 8.212 0.030 . 1 . . . . 107 SER H . 10064 1 1275 . 1 1 107 107 SER HA H 1 4.757 0.030 . 1 . . . . 107 SER HA . 10064 1 1276 . 1 1 107 107 SER HB2 H 1 3.867 0.030 . 1 . . . . 107 SER HB2 . 10064 1 1277 . 1 1 107 107 SER HB3 H 1 3.867 0.030 . 1 . . . . 107 SER HB3 . 10064 1 1278 . 1 1 107 107 SER C C 13 172.846 0.300 . 1 . . . . 107 SER C . 10064 1 1279 . 1 1 107 107 SER CA C 13 56.438 0.300 . 1 . . . . 107 SER CA . 10064 1 1280 . 1 1 107 107 SER CB C 13 63.383 0.300 . 1 . . . . 107 SER CB . 10064 1 1281 . 1 1 107 107 SER N N 15 117.145 0.300 . 1 . . . . 107 SER N . 10064 1 1282 . 1 1 108 108 PRO HA H 1 4.502 0.030 . 1 . . . . 108 PRO HA . 10064 1 1283 . 1 1 108 108 PRO HB2 H 1 2.326 0.030 . 2 . . . . 108 PRO HB2 . 10064 1 1284 . 1 1 108 108 PRO HB3 H 1 1.991 0.030 . 2 . . . . 108 PRO HB3 . 10064 1 1285 . 1 1 108 108 PRO HG2 H 1 2.055 0.030 . 1 . . . . 108 PRO HG2 . 10064 1 1286 . 1 1 108 108 PRO HG3 H 1 2.055 0.030 . 1 . . . . 108 PRO HG3 . 10064 1 1287 . 1 1 108 108 PRO HD2 H 1 3.816 0.030 . 2 . . . . 108 PRO HD2 . 10064 1 1288 . 1 1 108 108 PRO HD3 H 1 3.748 0.030 . 2 . . . . 108 PRO HD3 . 10064 1 1289 . 1 1 108 108 PRO C C 13 177.415 0.300 . 1 . . . . 108 PRO C . 10064 1 1290 . 1 1 108 108 PRO CA C 13 63.558 0.300 . 1 . . . . 108 PRO CA . 10064 1 1291 . 1 1 108 108 PRO CB C 13 32.187 0.300 . 1 . . . . 108 PRO CB . 10064 1 1292 . 1 1 108 108 PRO CG C 13 27.410 0.300 . 1 . . . . 108 PRO CG . 10064 1 1293 . 1 1 108 108 PRO CD C 13 50.781 0.300 . 1 . . . . 108 PRO CD . 10064 1 1294 . 1 1 109 109 SER H H 1 8.536 0.030 . 1 . . . . 109 SER H . 10064 1 1295 . 1 1 109 109 SER C C 13 174.709 0.300 . 1 . . . . 109 SER C . 10064 1 1296 . 1 1 109 109 SER CA C 13 58.399 0.300 . 1 . . . . 109 SER CA . 10064 1 1297 . 1 1 109 109 SER CB C 13 63.960 0.300 . 1 . . . . 109 SER CB . 10064 1 1298 . 1 1 109 109 SER N N 15 116.476 0.300 . 1 . . . . 109 SER N . 10064 1 1299 . 1 1 110 110 GLY HA2 H 1 4.182 0.030 . 2 . . . . 110 GLY HA2 . 10064 1 1300 . 1 1 110 110 GLY HA3 H 1 4.120 0.030 . 2 . . . . 110 GLY HA3 . 10064 1 1301 . 1 1 110 110 GLY CA C 13 44.689 0.300 . 1 . . . . 110 GLY CA . 10064 1 1302 . 1 1 111 111 PRO HA H 1 4.507 0.030 . 1 . . . . 111 PRO HA . 10064 1 1303 . 1 1 111 111 PRO HB2 H 1 2.315 0.030 . 2 . . . . 111 PRO HB2 . 10064 1 1304 . 1 1 111 111 PRO HB3 H 1 1.991 0.030 . 2 . . . . 111 PRO HB3 . 10064 1 1305 . 1 1 111 111 PRO HG2 H 1 2.041 0.030 . 1 . . . . 111 PRO HG2 . 10064 1 1306 . 1 1 111 111 PRO HG3 H 1 2.041 0.030 . 1 . . . . 111 PRO HG3 . 10064 1 1307 . 1 1 111 111 PRO HD2 H 1 3.652 0.030 . 1 . . . . 111 PRO HD2 . 10064 1 1308 . 1 1 111 111 PRO HD3 H 1 3.652 0.030 . 1 . . . . 111 PRO HD3 . 10064 1 1309 . 1 1 111 111 PRO C C 13 177.173 0.300 . 1 . . . . 111 PRO C . 10064 1 1310 . 1 1 111 111 PRO CA C 13 63.259 0.300 . 1 . . . . 111 PRO CA . 10064 1 1311 . 1 1 111 111 PRO CB C 13 32.232 0.300 . 1 . . . . 111 PRO CB . 10064 1 1312 . 1 1 111 111 PRO CG C 13 27.171 0.300 . 1 . . . . 111 PRO CG . 10064 1 1313 . 1 1 111 111 PRO CD C 13 49.832 0.300 . 1 . . . . 111 PRO CD . 10064 1 1314 . 1 1 112 112 SER H H 1 8.431 0.030 . 1 . . . . 112 SER H . 10064 1 1315 . 1 1 112 112 SER HA H 1 4.532 0.030 . 1 . . . . 112 SER HA . 10064 1 1316 . 1 1 112 112 SER HB2 H 1 3.943 0.030 . 1 . . . . 112 SER HB2 . 10064 1 1317 . 1 1 112 112 SER HB3 H 1 3.943 0.030 . 1 . . . . 112 SER HB3 . 10064 1 1318 . 1 1 112 112 SER C C 13 174.661 0.300 . 1 . . . . 112 SER C . 10064 1 1319 . 1 1 112 112 SER CA C 13 58.365 0.300 . 1 . . . . 112 SER CA . 10064 1 1320 . 1 1 112 112 SER CB C 13 63.972 0.300 . 1 . . . . 112 SER CB . 10064 1 1321 . 1 1 112 112 SER N N 15 115.958 0.300 . 1 . . . . 112 SER N . 10064 1 1322 . 1 1 113 113 SER H H 1 8.340 0.030 . 1 . . . . 113 SER H . 10064 1 1323 . 1 1 113 113 SER HA H 1 4.521 0.030 . 1 . . . . 113 SER HA . 10064 1 1324 . 1 1 113 113 SER HB2 H 1 3.920 0.030 . 1 . . . . 113 SER HB2 . 10064 1 1325 . 1 1 113 113 SER HB3 H 1 3.920 0.030 . 1 . . . . 113 SER HB3 . 10064 1 1326 . 1 1 113 113 SER C C 13 173.959 0.300 . 1 . . . . 113 SER C . 10064 1 1327 . 1 1 113 113 SER CA C 13 58.260 0.300 . 1 . . . . 113 SER CA . 10064 1 1328 . 1 1 113 113 SER CB C 13 64.136 0.300 . 1 . . . . 113 SER CB . 10064 1 1329 . 1 1 113 113 SER N N 15 117.886 0.300 . 1 . . . . 113 SER N . 10064 1 1330 . 1 1 114 114 GLY H H 1 8.059 0.030 . 1 . . . . 114 GLY H . 10064 1 1331 . 1 1 114 114 GLY HA2 H 1 3.811 0.030 . 2 . . . . 114 GLY HA2 . 10064 1 1332 . 1 1 114 114 GLY HA3 H 1 3.774 0.030 . 2 . . . . 114 GLY HA3 . 10064 1 1333 . 1 1 114 114 GLY C C 13 179.017 0.300 . 1 . . . . 114 GLY C . 10064 1 1334 . 1 1 114 114 GLY CA C 13 46.243 0.300 . 1 . . . . 114 GLY CA . 10064 1 1335 . 1 1 114 114 GLY N N 15 116.879 0.300 . 1 . . . . 114 GLY N . 10064 1 stop_ save_