data_10079 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10079 _Entry.Title ; Solution structure of putative domain of human KIAA0561 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-23 _Entry.Accession_date 2007-01-24 _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 N. Tochio . . . 10079 2 S. Koshiba . . . 10079 3 M. Inoue . . . 10079 4 T. Kigawa . . . 10079 5 S. Yokoyama . . . 10079 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' . 10079 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10079 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 453 10079 '15N chemical shifts' 98 10079 '1H chemical shifts' 716 10079 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 2007-01-23 original author . 10079 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V9V 'BMRB Entry Tracking System' 10079 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10079 _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 putative domain of human KIAA0561 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 N. Tochio . . . 10079 1 2 S. Koshiba . . . 10079 1 3 M. Inoue . . . 10079 1 4 T. Kigawa . . . 10079 1 5 S. Yokoyama . . . 10079 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10079 _Assembly.ID 1 _Assembly.Name 'KIAA0561 protein' _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' 10079 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 'KIAA0561 protein' 1 $entity_1 . . yes native no no . . . 10079 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 1V9V . . . . . . 10079 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10079 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'putative domain (residues 180-280)' _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 ; GSSGSSGPKATAQMEGRLQE FLTAYAPGARLALADGVLGF IHHQIVELARDCLAKSGENL VTSRYFLEMQEKLERLLQDA HERSDSEEVSFIVQLVRKLL IIISRPARSGPSSG ; _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 1V9V . "Solution Structure Of Putative Domain Of Human Kiaa0561 Protein" . . . . . 100.00 114 100.00 100.00 1.24e-74 . . . . 10079 1 2 no DBJ BAA25487 . "KIAA0561 protein [Homo sapiens]" . . . . . 88.60 1308 100.00 100.00 1.85e-58 . . . . 10079 1 3 no DBJ BAI45348 . "microtubule associated serine/threonine kinase 3 [synthetic construct]" . . . . . 88.60 1309 100.00 100.00 1.86e-58 . . . . 10079 1 4 no GB AAC62830 . "KIAA0561 protein [AA 1- 593] [Homo sapiens]" . . . . . 88.60 593 100.00 100.00 1.77e-59 . . . . 10079 1 5 no GB EAW84657 . "hCG36884, isoform CRA_a, partial [Homo sapiens]" . . . . . 88.60 1229 100.00 100.00 1.26e-58 . . . . 10079 1 6 no GB EHH29807 . "Microtubule-associated serine/threonine-protein kinase 3, partial [Macaca mulatta]" . . . . . 88.60 1294 100.00 100.00 1.87e-58 . . . . 10079 1 7 no GB EHH59364 . "hypothetical protein EGM_09451, partial [Macaca fascicularis]" . . . . . 88.60 1097 100.00 100.00 1.92e-58 . . . . 10079 1 8 no REF NP_055831 . "microtubule-associated serine/threonine-protein kinase 3 [Homo sapiens]" . . . . . 88.60 1309 100.00 100.00 1.86e-58 . . . . 10079 1 9 no REF XP_001115216 . "PREDICTED: microtubule-associated serine/threonine-protein kinase 3 [Macaca mulatta]" . . . . . 88.60 1429 100.00 100.00 1.22e-58 . . . . 10079 1 10 no REF XP_003915213 . "PREDICTED: microtubule-associated serine/threonine-protein kinase 3 isoform X10 [Papio anubis]" . . . . . 88.60 1309 100.00 100.00 2.03e-58 . . . . 10079 1 11 no REF XP_004060339 . "PREDICTED: microtubule-associated serine/threonine-protein kinase 3 [Gorilla gorilla gorilla]" . . . . . 88.60 1309 100.00 100.00 1.86e-58 . . . . 10079 1 12 no REF XP_005259879 . "PREDICTED: microtubule-associated serine/threonine-protein kinase 3 isoform X4 [Homo sapiens]" . . . . . 88.60 1496 100.00 100.00 1.71e-58 . . . . 10079 1 13 no SP O60307 . "RecName: Full=Microtubule-associated serine/threonine-protein kinase 3" . . . . . 88.60 1309 100.00 100.00 1.86e-58 . . . . 10079 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'putative domain (residues 180-280)' . 10079 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 . 10079 1 2 . SER . 10079 1 3 . SER . 10079 1 4 . GLY . 10079 1 5 . SER . 10079 1 6 . SER . 10079 1 7 . GLY . 10079 1 8 . PRO . 10079 1 9 . LYS . 10079 1 10 . ALA . 10079 1 11 . THR . 10079 1 12 . ALA . 10079 1 13 . GLN . 10079 1 14 . MET . 10079 1 15 . GLU . 10079 1 16 . GLY . 10079 1 17 . ARG . 10079 1 18 . LEU . 10079 1 19 . GLN . 10079 1 20 . GLU . 10079 1 21 . PHE . 10079 1 22 . LEU . 10079 1 23 . THR . 10079 1 24 . ALA . 10079 1 25 . TYR . 10079 1 26 . ALA . 10079 1 27 . PRO . 10079 1 28 . GLY . 10079 1 29 . ALA . 10079 1 30 . ARG . 10079 1 31 . LEU . 10079 1 32 . ALA . 10079 1 33 . LEU . 10079 1 34 . ALA . 10079 1 35 . ASP . 10079 1 36 . GLY . 10079 1 37 . VAL . 10079 1 38 . LEU . 10079 1 39 . GLY . 10079 1 40 . PHE . 10079 1 41 . ILE . 10079 1 42 . HIS . 10079 1 43 . HIS . 10079 1 44 . GLN . 10079 1 45 . ILE . 10079 1 46 . VAL . 10079 1 47 . GLU . 10079 1 48 . LEU . 10079 1 49 . ALA . 10079 1 50 . ARG . 10079 1 51 . ASP . 10079 1 52 . CYS . 10079 1 53 . LEU . 10079 1 54 . ALA . 10079 1 55 . LYS . 10079 1 56 . SER . 10079 1 57 . GLY . 10079 1 58 . GLU . 10079 1 59 . ASN . 10079 1 60 . LEU . 10079 1 61 . VAL . 10079 1 62 . THR . 10079 1 63 . SER . 10079 1 64 . ARG . 10079 1 65 . TYR . 10079 1 66 . PHE . 10079 1 67 . LEU . 10079 1 68 . GLU . 10079 1 69 . MET . 10079 1 70 . GLN . 10079 1 71 . GLU . 10079 1 72 . LYS . 10079 1 73 . LEU . 10079 1 74 . GLU . 10079 1 75 . ARG . 10079 1 76 . LEU . 10079 1 77 . LEU . 10079 1 78 . GLN . 10079 1 79 . ASP . 10079 1 80 . ALA . 10079 1 81 . HIS . 10079 1 82 . GLU . 10079 1 83 . ARG . 10079 1 84 . SER . 10079 1 85 . ASP . 10079 1 86 . SER . 10079 1 87 . GLU . 10079 1 88 . GLU . 10079 1 89 . VAL . 10079 1 90 . SER . 10079 1 91 . PHE . 10079 1 92 . ILE . 10079 1 93 . VAL . 10079 1 94 . GLN . 10079 1 95 . LEU . 10079 1 96 . VAL . 10079 1 97 . ARG . 10079 1 98 . LYS . 10079 1 99 . LEU . 10079 1 100 . LEU . 10079 1 101 . ILE . 10079 1 102 . ILE . 10079 1 103 . ILE . 10079 1 104 . SER . 10079 1 105 . ARG . 10079 1 106 . PRO . 10079 1 107 . ALA . 10079 1 108 . ARG . 10079 1 109 . SER . 10079 1 110 . GLY . 10079 1 111 . PRO . 10079 1 112 . SER . 10079 1 113 . SER . 10079 1 114 . GLY . 10079 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 10079 1 . SER 2 2 10079 1 . SER 3 3 10079 1 . GLY 4 4 10079 1 . SER 5 5 10079 1 . SER 6 6 10079 1 . GLY 7 7 10079 1 . PRO 8 8 10079 1 . LYS 9 9 10079 1 . ALA 10 10 10079 1 . THR 11 11 10079 1 . ALA 12 12 10079 1 . GLN 13 13 10079 1 . MET 14 14 10079 1 . GLU 15 15 10079 1 . GLY 16 16 10079 1 . ARG 17 17 10079 1 . LEU 18 18 10079 1 . GLN 19 19 10079 1 . GLU 20 20 10079 1 . PHE 21 21 10079 1 . LEU 22 22 10079 1 . THR 23 23 10079 1 . ALA 24 24 10079 1 . TYR 25 25 10079 1 . ALA 26 26 10079 1 . PRO 27 27 10079 1 . GLY 28 28 10079 1 . ALA 29 29 10079 1 . ARG 30 30 10079 1 . LEU 31 31 10079 1 . ALA 32 32 10079 1 . LEU 33 33 10079 1 . ALA 34 34 10079 1 . ASP 35 35 10079 1 . GLY 36 36 10079 1 . VAL 37 37 10079 1 . LEU 38 38 10079 1 . GLY 39 39 10079 1 . PHE 40 40 10079 1 . ILE 41 41 10079 1 . HIS 42 42 10079 1 . HIS 43 43 10079 1 . GLN 44 44 10079 1 . ILE 45 45 10079 1 . VAL 46 46 10079 1 . GLU 47 47 10079 1 . LEU 48 48 10079 1 . ALA 49 49 10079 1 . ARG 50 50 10079 1 . ASP 51 51 10079 1 . CYS 52 52 10079 1 . LEU 53 53 10079 1 . ALA 54 54 10079 1 . LYS 55 55 10079 1 . SER 56 56 10079 1 . GLY 57 57 10079 1 . GLU 58 58 10079 1 . ASN 59 59 10079 1 . LEU 60 60 10079 1 . VAL 61 61 10079 1 . THR 62 62 10079 1 . SER 63 63 10079 1 . ARG 64 64 10079 1 . TYR 65 65 10079 1 . PHE 66 66 10079 1 . LEU 67 67 10079 1 . GLU 68 68 10079 1 . MET 69 69 10079 1 . GLN 70 70 10079 1 . GLU 71 71 10079 1 . LYS 72 72 10079 1 . LEU 73 73 10079 1 . GLU 74 74 10079 1 . ARG 75 75 10079 1 . LEU 76 76 10079 1 . LEU 77 77 10079 1 . GLN 78 78 10079 1 . ASP 79 79 10079 1 . ALA 80 80 10079 1 . HIS 81 81 10079 1 . GLU 82 82 10079 1 . ARG 83 83 10079 1 . SER 84 84 10079 1 . ASP 85 85 10079 1 . SER 86 86 10079 1 . GLU 87 87 10079 1 . GLU 88 88 10079 1 . VAL 89 89 10079 1 . SER 90 90 10079 1 . PHE 91 91 10079 1 . ILE 92 92 10079 1 . VAL 93 93 10079 1 . GLN 94 94 10079 1 . LEU 95 95 10079 1 . VAL 96 96 10079 1 . ARG 97 97 10079 1 . LYS 98 98 10079 1 . LEU 99 99 10079 1 . LEU 100 100 10079 1 . ILE 101 101 10079 1 . ILE 102 102 10079 1 . ILE 103 103 10079 1 . SER 104 104 10079 1 . ARG 105 105 10079 1 . PRO 106 106 10079 1 . ALA 107 107 10079 1 . ARG 108 108 10079 1 . SER 109 109 10079 1 . GLY 110 110 10079 1 . PRO 111 111 10079 1 . SER 112 112 10079 1 . SER 113 113 10079 1 . GLY 114 114 10079 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 10079 _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 . . . . . . . . . . . . . . . . . . . . . 10079 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 10079 _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 . . P030723-16 . . . . . . 10079 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10079 _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 'putative domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.3 . . mM . . . . 10079 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10079 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10079 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10079 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10079 1 6 H2O . . . . . . solvent 90 . . % . . . . 10079 1 7 D2O . . . . . . solvent 10 . . % . . . . 10079 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 10079 _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 10079 1 pH 7.0 0.05 pH 10079 1 pressure 1 0.001 atm 10079 1 temperature 298 0.1 K 10079 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10079 _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 . . 10079 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10079 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10079 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10079 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10079 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10079 _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.' . . 10079 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10079 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10079 _Software.ID 4 _Software.Name Kujira _Software.Version 0.853 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10079 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10079 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10079 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10079 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10079 5 'structure solution' 10079 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10079 _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 10079 _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 . . . . . . . . . . . . . . . . 10079 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10079 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 10079 _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 10079 _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 10079 _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 . . . . . . . . . 10079 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10079 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10079 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 10079 _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 10079 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10079 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 4.162 0.030 . 1 . . . . 7 GLY HA2 . 10079 1 2 . 1 1 7 7 GLY HA3 H 1 4.162 0.030 . 1 . . . . 7 GLY HA3 . 10079 1 3 . 1 1 7 7 GLY CA C 13 44.775 0.300 . 1 . . . . 7 GLY CA . 10079 1 4 . 1 1 8 8 PRO HA H 1 4.459 0.030 . 1 . . . . 8 PRO HA . 10079 1 5 . 1 1 8 8 PRO HB2 H 1 2.320 0.030 . 2 . . . . 8 PRO HB2 . 10079 1 6 . 1 1 8 8 PRO HB3 H 1 1.947 0.030 . 2 . . . . 8 PRO HB3 . 10079 1 7 . 1 1 8 8 PRO HG2 H 1 2.046 0.030 . 1 . . . . 8 PRO HG2 . 10079 1 8 . 1 1 8 8 PRO HG3 H 1 2.046 0.030 . 1 . . . . 8 PRO HG3 . 10079 1 9 . 1 1 8 8 PRO HD2 H 1 3.669 0.030 . 1 . . . . 8 PRO HD2 . 10079 1 10 . 1 1 8 8 PRO HD3 H 1 3.669 0.030 . 1 . . . . 8 PRO HD3 . 10079 1 11 . 1 1 8 8 PRO C C 13 177.612 0.300 . 1 . . . . 8 PRO C . 10079 1 12 . 1 1 8 8 PRO CA C 13 63.470 0.300 . 1 . . . . 8 PRO CA . 10079 1 13 . 1 1 8 8 PRO CB C 13 32.204 0.300 . 1 . . . . 8 PRO CB . 10079 1 14 . 1 1 8 8 PRO CG C 13 27.273 0.300 . 1 . . . . 8 PRO CG . 10079 1 15 . 1 1 8 8 PRO CD C 13 49.915 0.300 . 1 . . . . 8 PRO CD . 10079 1 16 . 1 1 9 9 LYS H H 1 8.459 0.030 . 1 . . . . 9 LYS H . 10079 1 17 . 1 1 9 9 LYS HA H 1 4.349 0.030 . 1 . . . . 9 LYS HA . 10079 1 18 . 1 1 9 9 LYS HB2 H 1 1.909 0.030 . 2 . . . . 9 LYS HB2 . 10079 1 19 . 1 1 9 9 LYS HB3 H 1 1.849 0.030 . 2 . . . . 9 LYS HB3 . 10079 1 20 . 1 1 9 9 LYS HG2 H 1 1.485 0.030 . 2 . . . . 9 LYS HG2 . 10079 1 21 . 1 1 9 9 LYS HD2 H 1 1.732 0.030 . 2 . . . . 9 LYS HD2 . 10079 1 22 . 1 1 9 9 LYS HE2 H 1 3.014 0.030 . 2 . . . . 9 LYS HE2 . 10079 1 23 . 1 1 9 9 LYS CA C 13 56.811 0.300 . 1 . . . . 9 LYS CA . 10079 1 24 . 1 1 9 9 LYS CB C 13 33.010 0.300 . 1 . . . . 9 LYS CB . 10079 1 25 . 1 1 9 9 LYS CD C 13 29.171 0.300 . 1 . . . . 9 LYS CD . 10079 1 26 . 1 1 9 9 LYS CE C 13 42.186 0.300 . 1 . . . . 9 LYS CE . 10079 1 27 . 1 1 9 9 LYS N N 15 121.314 0.300 . 1 . . . . 9 LYS N . 10079 1 28 . 1 1 10 10 ALA HA H 1 4.322 0.030 . 1 . . . . 10 ALA HA . 10079 1 29 . 1 1 10 10 ALA HB1 H 1 1.502 0.030 . 1 . . . . 10 ALA HB . 10079 1 30 . 1 1 10 10 ALA HB2 H 1 1.502 0.030 . 1 . . . . 10 ALA HB . 10079 1 31 . 1 1 10 10 ALA HB3 H 1 1.502 0.030 . 1 . . . . 10 ALA HB . 10079 1 32 . 1 1 10 10 ALA C C 13 179.343 0.300 . 1 . . . . 10 ALA C . 10079 1 33 . 1 1 10 10 ALA CA C 13 54.097 0.300 . 1 . . . . 10 ALA CA . 10079 1 34 . 1 1 10 10 ALA CB C 13 18.895 0.300 . 1 . . . . 10 ALA CB . 10079 1 35 . 1 1 11 11 THR H H 1 7.926 0.030 . 1 . . . . 11 THR H . 10079 1 36 . 1 1 11 11 THR HA H 1 4.311 0.030 . 1 . . . . 11 THR HA . 10079 1 37 . 1 1 11 11 THR HB H 1 4.425 0.030 . 1 . . . . 11 THR HB . 10079 1 38 . 1 1 11 11 THR HG21 H 1 1.271 0.030 . 1 . . . . 11 THR HG2 . 10079 1 39 . 1 1 11 11 THR HG22 H 1 1.271 0.030 . 1 . . . . 11 THR HG2 . 10079 1 40 . 1 1 11 11 THR HG23 H 1 1.271 0.030 . 1 . . . . 11 THR HG2 . 10079 1 41 . 1 1 11 11 THR C C 13 175.056 0.300 . 1 . . . . 11 THR C . 10079 1 42 . 1 1 11 11 THR CA C 13 63.167 0.300 . 1 . . . . 11 THR CA . 10079 1 43 . 1 1 11 11 THR CB C 13 69.111 0.300 . 1 . . . . 11 THR CB . 10079 1 44 . 1 1 11 11 THR CG2 C 13 22.149 0.300 . 1 . . . . 11 THR CG2 . 10079 1 45 . 1 1 11 11 THR N N 15 111.023 0.300 . 1 . . . . 11 THR N . 10079 1 46 . 1 1 12 12 ALA H H 1 8.007 0.030 . 1 . . . . 12 ALA H . 10079 1 47 . 1 1 12 12 ALA HA H 1 4.246 0.030 . 1 . . . . 12 ALA HA . 10079 1 48 . 1 1 12 12 ALA HB1 H 1 1.518 0.030 . 1 . . . . 12 ALA HB . 10079 1 49 . 1 1 12 12 ALA HB2 H 1 1.518 0.030 . 1 . . . . 12 ALA HB . 10079 1 50 . 1 1 12 12 ALA HB3 H 1 1.518 0.030 . 1 . . . . 12 ALA HB . 10079 1 51 . 1 1 12 12 ALA C C 13 180.023 0.300 . 1 . . . . 12 ALA C . 10079 1 52 . 1 1 12 12 ALA CA C 13 54.644 0.300 . 1 . . . . 12 ALA CA . 10079 1 53 . 1 1 12 12 ALA CB C 13 18.686 0.300 . 1 . . . . 12 ALA CB . 10079 1 54 . 1 1 12 12 ALA N N 15 125.193 0.300 . 1 . . . . 12 ALA N . 10079 1 55 . 1 1 13 13 GLN H H 1 8.430 0.030 . 1 . . . . 13 GLN H . 10079 1 56 . 1 1 13 13 GLN HA H 1 4.222 0.030 . 1 . . . . 13 GLN HA . 10079 1 57 . 1 1 13 13 GLN HB2 H 1 2.182 0.030 . 1 . . . . 13 GLN HB2 . 10079 1 58 . 1 1 13 13 GLN HB3 H 1 2.182 0.030 . 1 . . . . 13 GLN HB3 . 10079 1 59 . 1 1 13 13 GLN HG2 H 1 2.491 0.030 . 2 . . . . 13 GLN HG2 . 10079 1 60 . 1 1 13 13 GLN HG3 H 1 2.356 0.030 . 2 . . . . 13 GLN HG3 . 10079 1 61 . 1 1 13 13 GLN HE21 H 1 7.589 0.030 . 2 . . . . 13 GLN HE21 . 10079 1 62 . 1 1 13 13 GLN HE22 H 1 6.944 0.030 . 2 . . . . 13 GLN HE22 . 10079 1 63 . 1 1 13 13 GLN C C 13 178.169 0.300 . 1 . . . . 13 GLN C . 10079 1 64 . 1 1 13 13 GLN CA C 13 58.324 0.300 . 1 . . . . 13 GLN CA . 10079 1 65 . 1 1 13 13 GLN CB C 13 28.780 0.300 . 1 . . . . 13 GLN CB . 10079 1 66 . 1 1 13 13 GLN CG C 13 34.267 0.300 . 1 . . . . 13 GLN CG . 10079 1 67 . 1 1 13 13 GLN N N 15 118.824 0.300 . 1 . . . . 13 GLN N . 10079 1 68 . 1 1 13 13 GLN NE2 N 15 112.348 0.300 . 1 . . . . 13 GLN NE2 . 10079 1 69 . 1 1 14 14 MET H H 1 8.307 0.030 . 1 . . . . 14 MET H . 10079 1 70 . 1 1 14 14 MET HA H 1 4.060 0.030 . 1 . . . . 14 MET HA . 10079 1 71 . 1 1 14 14 MET HB2 H 1 2.239 0.030 . 2 . . . . 14 MET HB2 . 10079 1 72 . 1 1 14 14 MET HG2 H 1 2.615 0.030 . 2 . . . . 14 MET HG2 . 10079 1 73 . 1 1 14 14 MET HG3 H 1 2.301 0.030 . 2 . . . . 14 MET HG3 . 10079 1 74 . 1 1 14 14 MET HE1 H 1 2.082 0.030 . 1 . . . . 14 MET HE . 10079 1 75 . 1 1 14 14 MET HE2 H 1 2.082 0.030 . 1 . . . . 14 MET HE . 10079 1 76 . 1 1 14 14 MET HE3 H 1 2.082 0.030 . 1 . . . . 14 MET HE . 10079 1 77 . 1 1 14 14 MET C C 13 178.216 0.300 . 1 . . . . 14 MET C . 10079 1 78 . 1 1 14 14 MET CA C 13 59.616 0.300 . 1 . . . . 14 MET CA . 10079 1 79 . 1 1 14 14 MET CB C 13 33.072 0.300 . 1 . . . . 14 MET CB . 10079 1 80 . 1 1 14 14 MET CG C 13 31.192 0.300 . 1 . . . . 14 MET CG . 10079 1 81 . 1 1 14 14 MET CE C 13 16.900 0.300 . 1 . . . . 14 MET CE . 10079 1 82 . 1 1 14 14 MET N N 15 121.451 0.300 . 1 . . . . 14 MET N . 10079 1 83 . 1 1 15 15 GLU H H 1 8.746 0.030 . 1 . . . . 15 GLU H . 10079 1 84 . 1 1 15 15 GLU HA H 1 3.855 0.030 . 1 . . . . 15 GLU HA . 10079 1 85 . 1 1 15 15 GLU HB2 H 1 2.152 0.030 . 2 . . . . 15 GLU HB2 . 10079 1 86 . 1 1 15 15 GLU HB3 H 1 2.028 0.030 . 2 . . . . 15 GLU HB3 . 10079 1 87 . 1 1 15 15 GLU HG2 H 1 2.537 0.030 . 2 . . . . 15 GLU HG2 . 10079 1 88 . 1 1 15 15 GLU HG3 H 1 2.178 0.030 . 2 . . . . 15 GLU HG3 . 10079 1 89 . 1 1 15 15 GLU C C 13 179.010 0.300 . 1 . . . . 15 GLU C . 10079 1 90 . 1 1 15 15 GLU CA C 13 60.731 0.300 . 1 . . . . 15 GLU CA . 10079 1 91 . 1 1 15 15 GLU CB C 13 29.270 0.300 . 1 . . . . 15 GLU CB . 10079 1 92 . 1 1 15 15 GLU CG C 13 37.182 0.300 . 1 . . . . 15 GLU CG . 10079 1 93 . 1 1 15 15 GLU N N 15 118.377 0.300 . 1 . . . . 15 GLU N . 10079 1 94 . 1 1 16 16 GLY H H 1 8.117 0.030 . 1 . . . . 16 GLY H . 10079 1 95 . 1 1 16 16 GLY HA2 H 1 4.036 0.030 . 2 . . . . 16 GLY HA2 . 10079 1 96 . 1 1 16 16 GLY HA3 H 1 3.960 0.030 . 2 . . . . 16 GLY HA3 . 10079 1 97 . 1 1 16 16 GLY C C 13 177.169 0.300 . 1 . . . . 16 GLY C . 10079 1 98 . 1 1 16 16 GLY CA C 13 47.295 0.300 . 1 . . . . 16 GLY CA . 10079 1 99 . 1 1 16 16 GLY N N 15 106.197 0.300 . 1 . . . . 16 GLY N . 10079 1 100 . 1 1 17 17 ARG H H 1 7.994 0.030 . 1 . . . . 17 ARG H . 10079 1 101 . 1 1 17 17 ARG HA H 1 4.285 0.030 . 1 . . . . 17 ARG HA . 10079 1 102 . 1 1 17 17 ARG HB2 H 1 2.059 0.030 . 2 . . . . 17 ARG HB2 . 10079 1 103 . 1 1 17 17 ARG HB3 H 1 1.898 0.030 . 2 . . . . 17 ARG HB3 . 10079 1 104 . 1 1 17 17 ARG HG2 H 1 2.003 0.030 . 2 . . . . 17 ARG HG2 . 10079 1 105 . 1 1 17 17 ARG HG3 H 1 1.845 0.030 . 2 . . . . 17 ARG HG3 . 10079 1 106 . 1 1 17 17 ARG HD2 H 1 3.264 0.030 . 1 . . . . 17 ARG HD2 . 10079 1 107 . 1 1 17 17 ARG HD3 H 1 3.264 0.030 . 1 . . . . 17 ARG HD3 . 10079 1 108 . 1 1 17 17 ARG C C 13 180.742 0.300 . 1 . . . . 17 ARG C . 10079 1 109 . 1 1 17 17 ARG CA C 13 59.165 0.300 . 1 . . . . 17 ARG CA . 10079 1 110 . 1 1 17 17 ARG CB C 13 31.220 0.300 . 1 . . . . 17 ARG CB . 10079 1 111 . 1 1 17 17 ARG CG C 13 27.618 0.300 . 1 . . . . 17 ARG CG . 10079 1 112 . 1 1 17 17 ARG CD C 13 43.861 0.300 . 1 . . . . 17 ARG CD . 10079 1 113 . 1 1 17 17 ARG N N 15 121.165 0.300 . 1 . . . . 17 ARG N . 10079 1 114 . 1 1 18 18 LEU H H 1 8.868 0.030 . 1 . . . . 18 LEU H . 10079 1 115 . 1 1 18 18 LEU HA H 1 4.153 0.030 . 1 . . . . 18 LEU HA . 10079 1 116 . 1 1 18 18 LEU HB2 H 1 2.303 0.030 . 2 . . . . 18 LEU HB2 . 10079 1 117 . 1 1 18 18 LEU HB3 H 1 1.360 0.030 . 2 . . . . 18 LEU HB3 . 10079 1 118 . 1 1 18 18 LEU HG H 1 1.846 0.030 . 1 . . . . 18 LEU HG . 10079 1 119 . 1 1 18 18 LEU HD11 H 1 0.960 0.030 . 1 . . . . 18 LEU HD1 . 10079 1 120 . 1 1 18 18 LEU HD12 H 1 0.960 0.030 . 1 . . . . 18 LEU HD1 . 10079 1 121 . 1 1 18 18 LEU HD13 H 1 0.960 0.030 . 1 . . . . 18 LEU HD1 . 10079 1 122 . 1 1 18 18 LEU HD21 H 1 0.796 0.030 . 1 . . . . 18 LEU HD2 . 10079 1 123 . 1 1 18 18 LEU HD22 H 1 0.796 0.030 . 1 . . . . 18 LEU HD2 . 10079 1 124 . 1 1 18 18 LEU HD23 H 1 0.796 0.030 . 1 . . . . 18 LEU HD2 . 10079 1 125 . 1 1 18 18 LEU C C 13 178.547 0.300 . 1 . . . . 18 LEU C . 10079 1 126 . 1 1 18 18 LEU CA C 13 58.156 0.300 . 1 . . . . 18 LEU CA . 10079 1 127 . 1 1 18 18 LEU CB C 13 42.901 0.300 . 1 . . . . 18 LEU CB . 10079 1 128 . 1 1 18 18 LEU CG C 13 27.042 0.300 . 1 . . . . 18 LEU CG . 10079 1 129 . 1 1 18 18 LEU CD1 C 13 26.232 0.300 . 2 . . . . 18 LEU CD1 . 10079 1 130 . 1 1 18 18 LEU CD2 C 13 23.166 0.300 . 2 . . . . 18 LEU CD2 . 10079 1 131 . 1 1 18 18 LEU N N 15 122.490 0.300 . 1 . . . . 18 LEU N . 10079 1 132 . 1 1 19 19 GLN H H 1 8.485 0.030 . 1 . . . . 19 GLN H . 10079 1 133 . 1 1 19 19 GLN HA H 1 4.170 0.030 . 1 . . . . 19 GLN HA . 10079 1 134 . 1 1 19 19 GLN HB2 H 1 2.350 0.030 . 2 . . . . 19 GLN HB2 . 10079 1 135 . 1 1 19 19 GLN HB3 H 1 2.234 0.030 . 2 . . . . 19 GLN HB3 . 10079 1 136 . 1 1 19 19 GLN HG2 H 1 2.559 0.030 . 2 . . . . 19 GLN HG2 . 10079 1 137 . 1 1 19 19 GLN HG3 H 1 2.484 0.030 . 2 . . . . 19 GLN HG3 . 10079 1 138 . 1 1 19 19 GLN HE21 H 1 7.715 0.030 . 2 . . . . 19 GLN HE21 . 10079 1 139 . 1 1 19 19 GLN HE22 H 1 6.787 0.030 . 2 . . . . 19 GLN HE22 . 10079 1 140 . 1 1 19 19 GLN C C 13 179.132 0.300 . 1 . . . . 19 GLN C . 10079 1 141 . 1 1 19 19 GLN CA C 13 59.507 0.300 . 1 . . . . 19 GLN CA . 10079 1 142 . 1 1 19 19 GLN CB C 13 28.248 0.300 . 1 . . . . 19 GLN CB . 10079 1 143 . 1 1 19 19 GLN CG C 13 34.050 0.300 . 1 . . . . 19 GLN CG . 10079 1 144 . 1 1 19 19 GLN N N 15 119.272 0.300 . 1 . . . . 19 GLN N . 10079 1 145 . 1 1 19 19 GLN NE2 N 15 112.079 0.300 . 1 . . . . 19 GLN NE2 . 10079 1 146 . 1 1 20 20 GLU H H 1 8.022 0.030 . 1 . . . . 20 GLU H . 10079 1 147 . 1 1 20 20 GLU HA H 1 4.063 0.030 . 1 . . . . 20 GLU HA . 10079 1 148 . 1 1 20 20 GLU HB2 H 1 2.237 0.030 . 2 . . . . 20 GLU HB2 . 10079 1 149 . 1 1 20 20 GLU HB3 H 1 2.182 0.030 . 2 . . . . 20 GLU HB3 . 10079 1 150 . 1 1 20 20 GLU HG2 H 1 2.491 0.030 . 2 . . . . 20 GLU HG2 . 10079 1 151 . 1 1 20 20 GLU HG3 H 1 2.290 0.030 . 2 . . . . 20 GLU HG3 . 10079 1 152 . 1 1 20 20 GLU C C 13 178.718 0.300 . 1 . . . . 20 GLU C . 10079 1 153 . 1 1 20 20 GLU CA C 13 59.685 0.300 . 1 . . . . 20 GLU CA . 10079 1 154 . 1 1 20 20 GLU CB C 13 29.846 0.300 . 1 . . . . 20 GLU CB . 10079 1 155 . 1 1 20 20 GLU CG C 13 36.494 0.300 . 1 . . . . 20 GLU CG . 10079 1 156 . 1 1 20 20 GLU N N 15 119.869 0.300 . 1 . . . . 20 GLU N . 10079 1 157 . 1 1 21 21 PHE H H 1 8.198 0.030 . 1 . . . . 21 PHE H . 10079 1 158 . 1 1 21 21 PHE HA H 1 4.267 0.030 . 1 . . . . 21 PHE HA . 10079 1 159 . 1 1 21 21 PHE HB2 H 1 3.658 0.030 . 2 . . . . 21 PHE HB2 . 10079 1 160 . 1 1 21 21 PHE HB3 H 1 3.260 0.030 . 2 . . . . 21 PHE HB3 . 10079 1 161 . 1 1 21 21 PHE HD1 H 1 7.221 0.030 . 1 . . . . 21 PHE HD1 . 10079 1 162 . 1 1 21 21 PHE HD2 H 1 7.221 0.030 . 1 . . . . 21 PHE HD2 . 10079 1 163 . 1 1 21 21 PHE HE1 H 1 7.168 0.030 . 1 . . . . 21 PHE HE1 . 10079 1 164 . 1 1 21 21 PHE HE2 H 1 7.168 0.030 . 1 . . . . 21 PHE HE2 . 10079 1 165 . 1 1 21 21 PHE HZ H 1 6.951 0.030 . 1 . . . . 21 PHE HZ . 10079 1 166 . 1 1 21 21 PHE C C 13 176.584 0.300 . 1 . . . . 21 PHE C . 10079 1 167 . 1 1 21 21 PHE CA C 13 61.501 0.300 . 1 . . . . 21 PHE CA . 10079 1 168 . 1 1 21 21 PHE CB C 13 39.676 0.300 . 1 . . . . 21 PHE CB . 10079 1 169 . 1 1 21 21 PHE CD1 C 13 131.904 0.300 . 1 . . . . 21 PHE CD1 . 10079 1 170 . 1 1 21 21 PHE CD2 C 13 131.904 0.300 . 1 . . . . 21 PHE CD2 . 10079 1 171 . 1 1 21 21 PHE CE1 C 13 131.043 0.300 . 1 . . . . 21 PHE CE1 . 10079 1 172 . 1 1 21 21 PHE CE2 C 13 131.043 0.300 . 1 . . . . 21 PHE CE2 . 10079 1 173 . 1 1 21 21 PHE CZ C 13 129.985 0.300 . 1 . . . . 21 PHE CZ . 10079 1 174 . 1 1 21 21 PHE N N 15 122.418 0.300 . 1 . . . . 21 PHE N . 10079 1 175 . 1 1 22 22 LEU H H 1 8.619 0.030 . 1 . . . . 22 LEU H . 10079 1 176 . 1 1 22 22 LEU HA H 1 3.995 0.030 . 1 . . . . 22 LEU HA . 10079 1 177 . 1 1 22 22 LEU HB2 H 1 2.139 0.030 . 2 . . . . 22 LEU HB2 . 10079 1 178 . 1 1 22 22 LEU HB3 H 1 1.545 0.030 . 2 . . . . 22 LEU HB3 . 10079 1 179 . 1 1 22 22 LEU HG H 1 2.089 0.030 . 1 . . . . 22 LEU HG . 10079 1 180 . 1 1 22 22 LEU HD11 H 1 0.954 0.030 . 1 . . . . 22 LEU HD1 . 10079 1 181 . 1 1 22 22 LEU HD12 H 1 0.954 0.030 . 1 . . . . 22 LEU HD1 . 10079 1 182 . 1 1 22 22 LEU HD13 H 1 0.954 0.030 . 1 . . . . 22 LEU HD1 . 10079 1 183 . 1 1 22 22 LEU HD21 H 1 1.137 0.030 . 1 . . . . 22 LEU HD2 . 10079 1 184 . 1 1 22 22 LEU HD22 H 1 1.137 0.030 . 1 . . . . 22 LEU HD2 . 10079 1 185 . 1 1 22 22 LEU HD23 H 1 1.137 0.030 . 1 . . . . 22 LEU HD2 . 10079 1 186 . 1 1 22 22 LEU C C 13 179.510 0.300 . 1 . . . . 22 LEU C . 10079 1 187 . 1 1 22 22 LEU CA C 13 57.963 0.300 . 1 . . . . 22 LEU CA . 10079 1 188 . 1 1 22 22 LEU CB C 13 42.223 0.300 . 1 . . . . 22 LEU CB . 10079 1 189 . 1 1 22 22 LEU CG C 13 27.493 0.300 . 1 . . . . 22 LEU CG . 10079 1 190 . 1 1 22 22 LEU CD1 C 13 26.567 0.300 . 2 . . . . 22 LEU CD1 . 10079 1 191 . 1 1 22 22 LEU CD2 C 13 25.216 0.300 . 2 . . . . 22 LEU CD2 . 10079 1 192 . 1 1 22 22 LEU N N 15 119.208 0.300 . 1 . . . . 22 LEU N . 10079 1 193 . 1 1 23 23 THR H H 1 8.227 0.030 . 1 . . . . 23 THR H . 10079 1 194 . 1 1 23 23 THR HA H 1 3.920 0.030 . 1 . . . . 23 THR HA . 10079 1 195 . 1 1 23 23 THR HB H 1 4.197 0.030 . 1 . . . . 23 THR HB . 10079 1 196 . 1 1 23 23 THR HG21 H 1 1.225 0.030 . 1 . . . . 23 THR HG2 . 10079 1 197 . 1 1 23 23 THR HG22 H 1 1.225 0.030 . 1 . . . . 23 THR HG2 . 10079 1 198 . 1 1 23 23 THR HG23 H 1 1.225 0.030 . 1 . . . . 23 THR HG2 . 10079 1 199 . 1 1 23 23 THR C C 13 175.718 0.300 . 1 . . . . 23 THR C . 10079 1 200 . 1 1 23 23 THR CA C 13 65.996 0.300 . 1 . . . . 23 THR CA . 10079 1 201 . 1 1 23 23 THR CB C 13 69.020 0.300 . 1 . . . . 23 THR CB . 10079 1 202 . 1 1 23 23 THR CG2 C 13 21.799 0.300 . 1 . . . . 23 THR CG2 . 10079 1 203 . 1 1 23 23 THR N N 15 115.392 0.300 . 1 . . . . 23 THR N . 10079 1 204 . 1 1 24 24 ALA H H 1 7.701 0.030 . 1 . . . . 24 ALA H . 10079 1 205 . 1 1 24 24 ALA HA H 1 3.927 0.030 . 1 . . . . 24 ALA HA . 10079 1 206 . 1 1 24 24 ALA HB1 H 1 0.648 0.030 . 1 . . . . 24 ALA HB . 10079 1 207 . 1 1 24 24 ALA HB2 H 1 0.648 0.030 . 1 . . . . 24 ALA HB . 10079 1 208 . 1 1 24 24 ALA HB3 H 1 0.648 0.030 . 1 . . . . 24 ALA HB . 10079 1 209 . 1 1 24 24 ALA C C 13 180.010 0.300 . 1 . . . . 24 ALA C . 10079 1 210 . 1 1 24 24 ALA CA C 13 54.418 0.300 . 1 . . . . 24 ALA CA . 10079 1 211 . 1 1 24 24 ALA CB C 13 18.110 0.300 . 1 . . . . 24 ALA CB . 10079 1 212 . 1 1 24 24 ALA N N 15 121.361 0.300 . 1 . . . . 24 ALA N . 10079 1 213 . 1 1 25 25 TYR H H 1 7.787 0.030 . 1 . . . . 25 TYR H . 10079 1 214 . 1 1 25 25 TYR HA H 1 4.898 0.030 . 1 . . . . 25 TYR HA . 10079 1 215 . 1 1 25 25 TYR HB2 H 1 3.051 0.030 . 2 . . . . 25 TYR HB2 . 10079 1 216 . 1 1 25 25 TYR HB3 H 1 1.994 0.030 . 2 . . . . 25 TYR HB3 . 10079 1 217 . 1 1 25 25 TYR HD1 H 1 6.490 0.030 . 1 . . . . 25 TYR HD1 . 10079 1 218 . 1 1 25 25 TYR HD2 H 1 6.490 0.030 . 1 . . . . 25 TYR HD2 . 10079 1 219 . 1 1 25 25 TYR HE1 H 1 6.668 0.030 . 1 . . . . 25 TYR HE1 . 10079 1 220 . 1 1 25 25 TYR HE2 H 1 6.668 0.030 . 1 . . . . 25 TYR HE2 . 10079 1 221 . 1 1 25 25 TYR C C 13 175.281 0.300 . 1 . . . . 25 TYR C . 10079 1 222 . 1 1 25 25 TYR CA C 13 57.128 0.300 . 1 . . . . 25 TYR CA . 10079 1 223 . 1 1 25 25 TYR CB C 13 38.701 0.300 . 1 . . . . 25 TYR CB . 10079 1 224 . 1 1 25 25 TYR CD1 C 13 133.726 0.300 . 1 . . . . 25 TYR CD1 . 10079 1 225 . 1 1 25 25 TYR CD2 C 13 133.726 0.300 . 1 . . . . 25 TYR CD2 . 10079 1 226 . 1 1 25 25 TYR CE1 C 13 117.199 0.300 . 1 . . . . 25 TYR CE1 . 10079 1 227 . 1 1 25 25 TYR CE2 C 13 117.199 0.300 . 1 . . . . 25 TYR CE2 . 10079 1 228 . 1 1 25 25 TYR N N 15 111.811 0.300 . 1 . . . . 25 TYR N . 10079 1 229 . 1 1 26 26 ALA H H 1 7.582 0.030 . 1 . . . . 26 ALA H . 10079 1 230 . 1 1 26 26 ALA HA H 1 4.448 0.030 . 1 . . . . 26 ALA HA . 10079 1 231 . 1 1 26 26 ALA HB1 H 1 1.508 0.030 . 1 . . . . 26 ALA HB . 10079 1 232 . 1 1 26 26 ALA HB2 H 1 1.508 0.030 . 1 . . . . 26 ALA HB . 10079 1 233 . 1 1 26 26 ALA HB3 H 1 1.508 0.030 . 1 . . . . 26 ALA HB . 10079 1 234 . 1 1 26 26 ALA C C 13 175.718 0.300 . 1 . . . . 26 ALA C . 10079 1 235 . 1 1 26 26 ALA CA C 13 52.179 0.300 . 1 . . . . 26 ALA CA . 10079 1 236 . 1 1 26 26 ALA CB C 13 17.305 0.300 . 1 . . . . 26 ALA CB . 10079 1 237 . 1 1 26 26 ALA N N 15 123.479 0.300 . 1 . . . . 26 ALA N . 10079 1 238 . 1 1 27 27 PRO HA H 1 4.390 0.030 . 1 . . . . 27 PRO HA . 10079 1 239 . 1 1 27 27 PRO HB2 H 1 2.041 0.030 . 2 . . . . 27 PRO HB2 . 10079 1 240 . 1 1 27 27 PRO HB3 H 1 1.822 0.030 . 2 . . . . 27 PRO HB3 . 10079 1 241 . 1 1 27 27 PRO HG2 H 1 1.702 0.030 . 2 . . . . 27 PRO HG2 . 10079 1 242 . 1 1 27 27 PRO HD2 H 1 3.607 0.030 . 2 . . . . 27 PRO HD2 . 10079 1 243 . 1 1 27 27 PRO HD3 H 1 3.535 0.030 . 2 . . . . 27 PRO HD3 . 10079 1 244 . 1 1 27 27 PRO C C 13 177.383 0.300 . 1 . . . . 27 PRO C . 10079 1 245 . 1 1 27 27 PRO CA C 13 63.960 0.300 . 1 . . . . 27 PRO CA . 10079 1 246 . 1 1 27 27 PRO CB C 13 31.691 0.300 . 1 . . . . 27 PRO CB . 10079 1 247 . 1 1 27 27 PRO CD C 13 50.483 0.300 . 1 . . . . 27 PRO CD . 10079 1 248 . 1 1 28 28 GLY H H 1 8.495 0.030 . 1 . . . . 28 GLY H . 10079 1 249 . 1 1 28 28 GLY HA2 H 1 4.157 0.030 . 2 . . . . 28 GLY HA2 . 10079 1 250 . 1 1 28 28 GLY HA3 H 1 3.884 0.030 . 2 . . . . 28 GLY HA3 . 10079 1 251 . 1 1 28 28 GLY C C 13 174.286 0.300 . 1 . . . . 28 GLY C . 10079 1 252 . 1 1 28 28 GLY CA C 13 45.569 0.300 . 1 . . . . 28 GLY CA . 10079 1 253 . 1 1 28 28 GLY N N 15 109.274 0.300 . 1 . . . . 28 GLY N . 10079 1 254 . 1 1 29 29 ALA HA H 1 4.193 0.030 . 1 . . . . 29 ALA HA . 10079 1 255 . 1 1 29 29 ALA HB1 H 1 1.424 0.030 . 1 . . . . 29 ALA HB . 10079 1 256 . 1 1 29 29 ALA HB2 H 1 1.424 0.030 . 1 . . . . 29 ALA HB . 10079 1 257 . 1 1 29 29 ALA HB3 H 1 1.424 0.030 . 1 . . . . 29 ALA HB . 10079 1 258 . 1 1 29 29 ALA C C 13 178.192 0.300 . 1 . . . . 29 ALA C . 10079 1 259 . 1 1 29 29 ALA CA C 13 53.885 0.300 . 1 . . . . 29 ALA CA . 10079 1 260 . 1 1 29 29 ALA CB C 13 19.006 0.300 . 1 . . . . 29 ALA CB . 10079 1 261 . 1 1 30 30 ARG H H 1 8.003 0.030 . 1 . . . . 30 ARG H . 10079 1 262 . 1 1 30 30 ARG HA H 1 4.361 0.030 . 1 . . . . 30 ARG HA . 10079 1 263 . 1 1 30 30 ARG HB2 H 1 1.898 0.030 . 2 . . . . 30 ARG HB2 . 10079 1 264 . 1 1 30 30 ARG HB3 H 1 1.797 0.030 . 2 . . . . 30 ARG HB3 . 10079 1 265 . 1 1 30 30 ARG HG2 H 1 1.624 0.030 . 2 . . . . 30 ARG HG2 . 10079 1 266 . 1 1 30 30 ARG HD2 H 1 3.122 0.030 . 2 . . . . 30 ARG HD2 . 10079 1 267 . 1 1 30 30 ARG C C 13 175.865 0.300 . 1 . . . . 30 ARG C . 10079 1 268 . 1 1 30 30 ARG CA C 13 55.883 0.300 . 1 . . . . 30 ARG CA . 10079 1 269 . 1 1 30 30 ARG CB C 13 31.197 0.300 . 1 . . . . 30 ARG CB . 10079 1 270 . 1 1 30 30 ARG CG C 13 26.742 0.300 . 1 . . . . 30 ARG CG . 10079 1 271 . 1 1 30 30 ARG CD C 13 43.220 0.300 . 1 . . . . 30 ARG CD . 10079 1 272 . 1 1 30 30 ARG N N 15 115.396 0.300 . 1 . . . . 30 ARG N . 10079 1 273 . 1 1 31 31 LEU H H 1 7.846 0.030 . 1 . . . . 31 LEU H . 10079 1 274 . 1 1 31 31 LEU HA H 1 4.314 0.030 . 1 . . . . 31 LEU HA . 10079 1 275 . 1 1 31 31 LEU HB2 H 1 1.609 0.030 . 2 . . . . 31 LEU HB2 . 10079 1 276 . 1 1 31 31 LEU HB3 H 1 1.524 0.030 . 2 . . . . 31 LEU HB3 . 10079 1 277 . 1 1 31 31 LEU HG H 1 1.545 0.030 . 1 . . . . 31 LEU HG . 10079 1 278 . 1 1 31 31 LEU HD11 H 1 0.878 0.030 . 1 . . . . 31 LEU HD1 . 10079 1 279 . 1 1 31 31 LEU HD12 H 1 0.878 0.030 . 1 . . . . 31 LEU HD1 . 10079 1 280 . 1 1 31 31 LEU HD13 H 1 0.878 0.030 . 1 . . . . 31 LEU HD1 . 10079 1 281 . 1 1 31 31 LEU HD21 H 1 0.833 0.030 . 1 . . . . 31 LEU HD2 . 10079 1 282 . 1 1 31 31 LEU HD22 H 1 0.833 0.030 . 1 . . . . 31 LEU HD2 . 10079 1 283 . 1 1 31 31 LEU HD23 H 1 0.833 0.030 . 1 . . . . 31 LEU HD2 . 10079 1 284 . 1 1 31 31 LEU C C 13 175.803 0.300 . 1 . . . . 31 LEU C . 10079 1 285 . 1 1 31 31 LEU CA C 13 55.121 0.300 . 1 . . . . 31 LEU CA . 10079 1 286 . 1 1 31 31 LEU CB C 13 42.579 0.300 . 1 . . . . 31 LEU CB . 10079 1 287 . 1 1 31 31 LEU CG C 13 27.191 0.300 . 1 . . . . 31 LEU CG . 10079 1 288 . 1 1 31 31 LEU CD1 C 13 24.684 0.300 . 2 . . . . 31 LEU CD1 . 10079 1 289 . 1 1 31 31 LEU CD2 C 13 24.317 0.300 . 2 . . . . 31 LEU CD2 . 10079 1 290 . 1 1 31 31 LEU N N 15 121.612 0.300 . 1 . . . . 31 LEU N . 10079 1 291 . 1 1 32 32 ALA H H 1 8.145 0.030 . 1 . . . . 32 ALA H . 10079 1 292 . 1 1 32 32 ALA HA H 1 4.447 0.030 . 1 . . . . 32 ALA HA . 10079 1 293 . 1 1 32 32 ALA HB1 H 1 1.348 0.030 . 1 . . . . 32 ALA HB . 10079 1 294 . 1 1 32 32 ALA HB2 H 1 1.348 0.030 . 1 . . . . 32 ALA HB . 10079 1 295 . 1 1 32 32 ALA HB3 H 1 1.348 0.030 . 1 . . . . 32 ALA HB . 10079 1 296 . 1 1 32 32 ALA C C 13 177.272 0.300 . 1 . . . . 32 ALA C . 10079 1 297 . 1 1 32 32 ALA CA C 13 52.170 0.300 . 1 . . . . 32 ALA CA . 10079 1 298 . 1 1 32 32 ALA CB C 13 19.725 0.300 . 1 . . . . 32 ALA CB . 10079 1 299 . 1 1 32 32 ALA N N 15 126.285 0.300 . 1 . . . . 32 ALA N . 10079 1 300 . 1 1 33 33 LEU H H 1 8.554 0.030 . 1 . . . . 33 LEU H . 10079 1 301 . 1 1 33 33 LEU HA H 1 4.249 0.030 . 1 . . . . 33 LEU HA . 10079 1 302 . 1 1 33 33 LEU HB2 H 1 1.530 0.030 . 1 . . . . 33 LEU HB2 . 10079 1 303 . 1 1 33 33 LEU HB3 H 1 1.530 0.030 . 1 . . . . 33 LEU HB3 . 10079 1 304 . 1 1 33 33 LEU HG H 1 1.748 0.030 . 1 . . . . 33 LEU HG . 10079 1 305 . 1 1 33 33 LEU HD11 H 1 0.878 0.030 . 1 . . . . 33 LEU HD1 . 10079 1 306 . 1 1 33 33 LEU HD12 H 1 0.878 0.030 . 1 . . . . 33 LEU HD1 . 10079 1 307 . 1 1 33 33 LEU HD13 H 1 0.878 0.030 . 1 . . . . 33 LEU HD1 . 10079 1 308 . 1 1 33 33 LEU HD21 H 1 0.663 0.030 . 1 . . . . 33 LEU HD2 . 10079 1 309 . 1 1 33 33 LEU HD22 H 1 0.663 0.030 . 1 . . . . 33 LEU HD2 . 10079 1 310 . 1 1 33 33 LEU HD23 H 1 0.663 0.030 . 1 . . . . 33 LEU HD2 . 10079 1 311 . 1 1 33 33 LEU CA C 13 54.844 0.300 . 1 . . . . 33 LEU CA . 10079 1 312 . 1 1 33 33 LEU CB C 13 41.181 0.300 . 1 . . . . 33 LEU CB . 10079 1 313 . 1 1 33 33 LEU CG C 13 27.199 0.300 . 1 . . . . 33 LEU CG . 10079 1 314 . 1 1 33 33 LEU CD1 C 13 26.230 0.300 . 2 . . . . 33 LEU CD1 . 10079 1 315 . 1 1 33 33 LEU CD2 C 13 22.837 0.300 . 2 . . . . 33 LEU CD2 . 10079 1 316 . 1 1 33 33 LEU N N 15 122.982 0.300 . 1 . . . . 33 LEU N . 10079 1 317 . 1 1 34 34 ALA HA H 1 4.194 0.030 . 1 . . . . 34 ALA HA . 10079 1 318 . 1 1 34 34 ALA HB1 H 1 1.476 0.030 . 1 . . . . 34 ALA HB . 10079 1 319 . 1 1 34 34 ALA HB2 H 1 1.476 0.030 . 1 . . . . 34 ALA HB . 10079 1 320 . 1 1 34 34 ALA HB3 H 1 1.476 0.030 . 1 . . . . 34 ALA HB . 10079 1 321 . 1 1 34 34 ALA C C 13 179.343 0.300 . 1 . . . . 34 ALA C . 10079 1 322 . 1 1 34 34 ALA CA C 13 53.850 0.300 . 1 . . . . 34 ALA CA . 10079 1 323 . 1 1 34 34 ALA CB C 13 19.134 0.300 . 1 . . . . 34 ALA CB . 10079 1 324 . 1 1 35 35 ASP H H 1 8.797 0.030 . 1 . . . . 35 ASP H . 10079 1 325 . 1 1 35 35 ASP HA H 1 4.643 0.030 . 1 . . . . 35 ASP HA . 10079 1 326 . 1 1 35 35 ASP HB2 H 1 2.940 0.030 . 2 . . . . 35 ASP HB2 . 10079 1 327 . 1 1 35 35 ASP HB3 H 1 2.756 0.030 . 2 . . . . 35 ASP HB3 . 10079 1 328 . 1 1 35 35 ASP C C 13 177.685 0.300 . 1 . . . . 35 ASP C . 10079 1 329 . 1 1 35 35 ASP CA C 13 54.167 0.300 . 1 . . . . 35 ASP CA . 10079 1 330 . 1 1 35 35 ASP CB C 13 42.244 0.300 . 1 . . . . 35 ASP CB . 10079 1 331 . 1 1 35 35 ASP N N 15 119.869 0.300 . 1 . . . . 35 ASP N . 10079 1 332 . 1 1 36 36 GLY H H 1 8.856 0.030 . 1 . . . . 36 GLY H . 10079 1 333 . 1 1 36 36 GLY HA2 H 1 4.014 0.030 . 1 . . . . 36 GLY HA2 . 10079 1 334 . 1 1 36 36 GLY HA3 H 1 4.014 0.030 . 1 . . . . 36 GLY HA3 . 10079 1 335 . 1 1 36 36 GLY C C 13 177.016 0.300 . 1 . . . . 36 GLY C . 10079 1 336 . 1 1 36 36 GLY CA C 13 47.013 0.300 . 1 . . . . 36 GLY CA . 10079 1 337 . 1 1 36 36 GLY N N 15 114.246 0.300 . 1 . . . . 36 GLY N . 10079 1 338 . 1 1 37 37 VAL H H 1 8.265 0.030 . 1 . . . . 37 VAL H . 10079 1 339 . 1 1 37 37 VAL HA H 1 3.974 0.030 . 1 . . . . 37 VAL HA . 10079 1 340 . 1 1 37 37 VAL HB H 1 2.201 0.030 . 1 . . . . 37 VAL HB . 10079 1 341 . 1 1 37 37 VAL HG11 H 1 1.014 0.030 . 1 . . . . 37 VAL HG1 . 10079 1 342 . 1 1 37 37 VAL HG12 H 1 1.014 0.030 . 1 . . . . 37 VAL HG1 . 10079 1 343 . 1 1 37 37 VAL HG13 H 1 1.014 0.030 . 1 . . . . 37 VAL HG1 . 10079 1 344 . 1 1 37 37 VAL HG21 H 1 1.072 0.030 . 1 . . . . 37 VAL HG2 . 10079 1 345 . 1 1 37 37 VAL HG22 H 1 1.072 0.030 . 1 . . . . 37 VAL HG2 . 10079 1 346 . 1 1 37 37 VAL HG23 H 1 1.072 0.030 . 1 . . . . 37 VAL HG2 . 10079 1 347 . 1 1 37 37 VAL C C 13 178.766 0.300 . 1 . . . . 37 VAL C . 10079 1 348 . 1 1 37 37 VAL CA C 13 66.281 0.300 . 1 . . . . 37 VAL CA . 10079 1 349 . 1 1 37 37 VAL CB C 13 31.647 0.300 . 1 . . . . 37 VAL CB . 10079 1 350 . 1 1 37 37 VAL CG1 C 13 20.944 0.300 . 2 . . . . 37 VAL CG1 . 10079 1 351 . 1 1 37 37 VAL CG2 C 13 22.270 0.300 . 2 . . . . 37 VAL CG2 . 10079 1 352 . 1 1 37 37 VAL N N 15 123.450 0.300 . 1 . . . . 37 VAL N . 10079 1 353 . 1 1 38 38 LEU H H 1 8.223 0.030 . 1 . . . . 38 LEU H . 10079 1 354 . 1 1 38 38 LEU HA H 1 4.196 0.030 . 1 . . . . 38 LEU HA . 10079 1 355 . 1 1 38 38 LEU HB2 H 1 2.127 0.030 . 2 . . . . 38 LEU HB2 . 10079 1 356 . 1 1 38 38 LEU HB3 H 1 1.457 0.030 . 2 . . . . 38 LEU HB3 . 10079 1 357 . 1 1 38 38 LEU HG H 1 1.932 0.030 . 1 . . . . 38 LEU HG . 10079 1 358 . 1 1 38 38 LEU HD11 H 1 1.075 0.030 . 1 . . . . 38 LEU HD1 . 10079 1 359 . 1 1 38 38 LEU HD12 H 1 1.075 0.030 . 1 . . . . 38 LEU HD1 . 10079 1 360 . 1 1 38 38 LEU HD13 H 1 1.075 0.030 . 1 . . . . 38 LEU HD1 . 10079 1 361 . 1 1 38 38 LEU HD21 H 1 0.971 0.030 . 1 . . . . 38 LEU HD2 . 10079 1 362 . 1 1 38 38 LEU HD22 H 1 0.971 0.030 . 1 . . . . 38 LEU HD2 . 10079 1 363 . 1 1 38 38 LEU HD23 H 1 0.971 0.030 . 1 . . . . 38 LEU HD2 . 10079 1 364 . 1 1 38 38 LEU C C 13 179.662 0.300 . 1 . . . . 38 LEU C . 10079 1 365 . 1 1 38 38 LEU CA C 13 57.709 0.300 . 1 . . . . 38 LEU CA . 10079 1 366 . 1 1 38 38 LEU CB C 13 40.974 0.300 . 1 . . . . 38 LEU CB . 10079 1 367 . 1 1 38 38 LEU CG C 13 26.740 0.300 . 1 . . . . 38 LEU CG . 10079 1 368 . 1 1 38 38 LEU CD1 C 13 27.603 0.300 . 2 . . . . 38 LEU CD1 . 10079 1 369 . 1 1 38 38 LEU CD2 C 13 22.959 0.300 . 2 . . . . 38 LEU CD2 . 10079 1 370 . 1 1 38 38 LEU N N 15 119.029 0.300 . 1 . . . . 38 LEU N . 10079 1 371 . 1 1 39 39 GLY H H 1 8.910 0.030 . 1 . . . . 39 GLY H . 10079 1 372 . 1 1 39 39 GLY HA2 H 1 4.238 0.030 . 2 . . . . 39 GLY HA2 . 10079 1 373 . 1 1 39 39 GLY HA3 H 1 4.101 0.030 . 2 . . . . 39 GLY HA3 . 10079 1 374 . 1 1 39 39 GLY C C 13 176.304 0.300 . 1 . . . . 39 GLY C . 10079 1 375 . 1 1 39 39 GLY CA C 13 47.753 0.300 . 1 . . . . 39 GLY CA . 10079 1 376 . 1 1 39 39 GLY N N 15 107.333 0.300 . 1 . . . . 39 GLY N . 10079 1 377 . 1 1 40 40 PHE H H 1 7.921 0.030 . 1 . . . . 40 PHE H . 10079 1 378 . 1 1 40 40 PHE HA H 1 4.631 0.030 . 1 . . . . 40 PHE HA . 10079 1 379 . 1 1 40 40 PHE HB2 H 1 3.484 0.030 . 2 . . . . 40 PHE HB2 . 10079 1 380 . 1 1 40 40 PHE HB3 H 1 3.377 0.030 . 2 . . . . 40 PHE HB3 . 10079 1 381 . 1 1 40 40 PHE HD1 H 1 7.353 0.030 . 1 . . . . 40 PHE HD1 . 10079 1 382 . 1 1 40 40 PHE HD2 H 1 7.353 0.030 . 1 . . . . 40 PHE HD2 . 10079 1 383 . 1 1 40 40 PHE HZ H 1 7.298 0.030 . 1 . . . . 40 PHE HZ . 10079 1 384 . 1 1 40 40 PHE C C 13 178.193 0.300 . 1 . . . . 40 PHE C . 10079 1 385 . 1 1 40 40 PHE CA C 13 60.699 0.300 . 1 . . . . 40 PHE CA . 10079 1 386 . 1 1 40 40 PHE CB C 13 38.710 0.300 . 1 . . . . 40 PHE CB . 10079 1 387 . 1 1 40 40 PHE CD1 C 13 131.863 0.300 . 1 . . . . 40 PHE CD1 . 10079 1 388 . 1 1 40 40 PHE CD2 C 13 131.863 0.300 . 1 . . . . 40 PHE CD2 . 10079 1 389 . 1 1 40 40 PHE CZ C 13 130.086 0.300 . 1 . . . . 40 PHE CZ . 10079 1 390 . 1 1 40 40 PHE N N 15 124.102 0.300 . 1 . . . . 40 PHE N . 10079 1 391 . 1 1 41 41 ILE H H 1 8.333 0.030 . 1 . . . . 41 ILE H . 10079 1 392 . 1 1 41 41 ILE HA H 1 3.626 0.030 . 1 . . . . 41 ILE HA . 10079 1 393 . 1 1 41 41 ILE HB H 1 2.100 0.030 . 1 . . . . 41 ILE HB . 10079 1 394 . 1 1 41 41 ILE HG12 H 1 2.142 0.030 . 2 . . . . 41 ILE HG12 . 10079 1 395 . 1 1 41 41 ILE HG13 H 1 1.220 0.030 . 2 . . . . 41 ILE HG13 . 10079 1 396 . 1 1 41 41 ILE HG21 H 1 1.014 0.030 . 1 . . . . 41 ILE HG2 . 10079 1 397 . 1 1 41 41 ILE HG22 H 1 1.014 0.030 . 1 . . . . 41 ILE HG2 . 10079 1 398 . 1 1 41 41 ILE HG23 H 1 1.014 0.030 . 1 . . . . 41 ILE HG2 . 10079 1 399 . 1 1 41 41 ILE HD11 H 1 0.936 0.030 . 1 . . . . 41 ILE HD1 . 10079 1 400 . 1 1 41 41 ILE HD12 H 1 0.936 0.030 . 1 . . . . 41 ILE HD1 . 10079 1 401 . 1 1 41 41 ILE HD13 H 1 0.936 0.030 . 1 . . . . 41 ILE HD1 . 10079 1 402 . 1 1 41 41 ILE C C 13 177.376 0.300 . 1 . . . . 41 ILE C . 10079 1 403 . 1 1 41 41 ILE CA C 13 66.560 0.300 . 1 . . . . 41 ILE CA . 10079 1 404 . 1 1 41 41 ILE CB C 13 38.278 0.300 . 1 . . . . 41 ILE CB . 10079 1 405 . 1 1 41 41 ILE CG1 C 13 29.287 0.300 . 1 . . . . 41 ILE CG1 . 10079 1 406 . 1 1 41 41 ILE CG2 C 13 18.307 0.300 . 1 . . . . 41 ILE CG2 . 10079 1 407 . 1 1 41 41 ILE CD1 C 13 14.194 0.300 . 1 . . . . 41 ILE CD1 . 10079 1 408 . 1 1 41 41 ILE N N 15 122.346 0.300 . 1 . . . . 41 ILE N . 10079 1 409 . 1 1 42 42 HIS H H 1 8.909 0.030 . 1 . . . . 42 HIS H . 10079 1 410 . 1 1 42 42 HIS HA H 1 4.200 0.030 . 1 . . . . 42 HIS HA . 10079 1 411 . 1 1 42 42 HIS HB2 H 1 3.858 0.030 . 2 . . . . 42 HIS HB2 . 10079 1 412 . 1 1 42 42 HIS HB3 H 1 3.296 0.030 . 2 . . . . 42 HIS HB3 . 10079 1 413 . 1 1 42 42 HIS HD2 H 1 6.885 0.030 . 1 . . . . 42 HIS HD2 . 10079 1 414 . 1 1 42 42 HIS HE1 H 1 7.648 0.030 . 1 . . . . 42 HIS HE1 . 10079 1 415 . 1 1 42 42 HIS C C 13 177.297 0.300 . 1 . . . . 42 HIS C . 10079 1 416 . 1 1 42 42 HIS CA C 13 58.855 0.300 . 1 . . . . 42 HIS CA . 10079 1 417 . 1 1 42 42 HIS CB C 13 32.604 0.300 . 1 . . . . 42 HIS CB . 10079 1 418 . 1 1 42 42 HIS CD2 C 13 115.612 0.300 . 1 . . . . 42 HIS CD2 . 10079 1 419 . 1 1 42 42 HIS CE1 C 13 137.873 0.300 . 1 . . . . 42 HIS CE1 . 10079 1 420 . 1 1 42 42 HIS N N 15 120.615 0.300 . 1 . . . . 42 HIS N . 10079 1 421 . 1 1 43 43 HIS H H 1 8.039 0.030 . 1 . . . . 43 HIS H . 10079 1 422 . 1 1 43 43 HIS HA H 1 3.954 0.030 . 1 . . . . 43 HIS HA . 10079 1 423 . 1 1 43 43 HIS HB2 H 1 3.321 0.030 . 2 . . . . 43 HIS HB2 . 10079 1 424 . 1 1 43 43 HIS HB3 H 1 3.254 0.030 . 2 . . . . 43 HIS HB3 . 10079 1 425 . 1 1 43 43 HIS HD2 H 1 6.900 0.030 . 1 . . . . 43 HIS HD2 . 10079 1 426 . 1 1 43 43 HIS HE1 H 1 7.776 0.030 . 1 . . . . 43 HIS HE1 . 10079 1 427 . 1 1 43 43 HIS C C 13 177.612 0.300 . 1 . . . . 43 HIS C . 10079 1 428 . 1 1 43 43 HIS CA C 13 60.769 0.300 . 1 . . . . 43 HIS CA . 10079 1 429 . 1 1 43 43 HIS CB C 13 30.216 0.300 . 1 . . . . 43 HIS CB . 10079 1 430 . 1 1 43 43 HIS CD2 C 13 120.271 0.300 . 1 . . . . 43 HIS CD2 . 10079 1 431 . 1 1 43 43 HIS CE1 C 13 138.532 0.300 . 1 . . . . 43 HIS CE1 . 10079 1 432 . 1 1 43 43 HIS N N 15 117.017 0.300 . 1 . . . . 43 HIS N . 10079 1 433 . 1 1 44 44 GLN H H 1 8.314 0.030 . 1 . . . . 44 GLN H . 10079 1 434 . 1 1 44 44 GLN HA H 1 3.861 0.030 . 1 . . . . 44 GLN HA . 10079 1 435 . 1 1 44 44 GLN HB2 H 1 2.217 0.030 . 2 . . . . 44 GLN HB2 . 10079 1 436 . 1 1 44 44 GLN HB3 H 1 1.961 0.030 . 2 . . . . 44 GLN HB3 . 10079 1 437 . 1 1 44 44 GLN HG2 H 1 2.037 0.030 . 2 . . . . 44 GLN HG2 . 10079 1 438 . 1 1 44 44 GLN HG3 H 1 1.945 0.030 . 2 . . . . 44 GLN HG3 . 10079 1 439 . 1 1 44 44 GLN HE21 H 1 6.894 0.030 . 2 . . . . 44 GLN HE21 . 10079 1 440 . 1 1 44 44 GLN HE22 H 1 6.294 0.030 . 2 . . . . 44 GLN HE22 . 10079 1 441 . 1 1 44 44 GLN C C 13 179.074 0.300 . 1 . . . . 44 GLN C . 10079 1 442 . 1 1 44 44 GLN CA C 13 59.278 0.300 . 1 . . . . 44 GLN CA . 10079 1 443 . 1 1 44 44 GLN CB C 13 30.020 0.300 . 1 . . . . 44 GLN CB . 10079 1 444 . 1 1 44 44 GLN CG C 13 35.004 0.300 . 1 . . . . 44 GLN CG . 10079 1 445 . 1 1 44 44 GLN N N 15 118.252 0.300 . 1 . . . . 44 GLN N . 10079 1 446 . 1 1 44 44 GLN NE2 N 15 112.178 0.300 . 1 . . . . 44 GLN NE2 . 10079 1 447 . 1 1 45 45 ILE H H 1 8.641 0.030 . 1 . . . . 45 ILE H . 10079 1 448 . 1 1 45 45 ILE HA H 1 3.445 0.030 . 1 . . . . 45 ILE HA . 10079 1 449 . 1 1 45 45 ILE HB H 1 2.131 0.030 . 1 . . . . 45 ILE HB . 10079 1 450 . 1 1 45 45 ILE HG12 H 1 2.073 0.030 . 2 . . . . 45 ILE HG12 . 10079 1 451 . 1 1 45 45 ILE HG13 H 1 0.757 0.030 . 2 . . . . 45 ILE HG13 . 10079 1 452 . 1 1 45 45 ILE HG21 H 1 0.949 0.030 . 1 . . . . 45 ILE HG2 . 10079 1 453 . 1 1 45 45 ILE HG22 H 1 0.949 0.030 . 1 . . . . 45 ILE HG2 . 10079 1 454 . 1 1 45 45 ILE HG23 H 1 0.949 0.030 . 1 . . . . 45 ILE HG2 . 10079 1 455 . 1 1 45 45 ILE HD11 H 1 0.863 0.030 . 1 . . . . 45 ILE HD1 . 10079 1 456 . 1 1 45 45 ILE HD12 H 1 0.863 0.030 . 1 . . . . 45 ILE HD1 . 10079 1 457 . 1 1 45 45 ILE HD13 H 1 0.863 0.030 . 1 . . . . 45 ILE HD1 . 10079 1 458 . 1 1 45 45 ILE C C 13 177.449 0.300 . 1 . . . . 45 ILE C . 10079 1 459 . 1 1 45 45 ILE CA C 13 66.239 0.300 . 1 . . . . 45 ILE CA . 10079 1 460 . 1 1 45 45 ILE CB C 13 38.288 0.300 . 1 . . . . 45 ILE CB . 10079 1 461 . 1 1 45 45 ILE CG1 C 13 30.280 0.300 . 1 . . . . 45 ILE CG1 . 10079 1 462 . 1 1 45 45 ILE CG2 C 13 17.816 0.300 . 1 . . . . 45 ILE CG2 . 10079 1 463 . 1 1 45 45 ILE CD1 C 13 16.974 0.300 . 1 . . . . 45 ILE CD1 . 10079 1 464 . 1 1 45 45 ILE N N 15 120.615 0.300 . 1 . . . . 45 ILE N . 10079 1 465 . 1 1 46 46 VAL H H 1 7.896 0.030 . 1 . . . . 46 VAL H . 10079 1 466 . 1 1 46 46 VAL HA H 1 3.719 0.030 . 1 . . . . 46 VAL HA . 10079 1 467 . 1 1 46 46 VAL HB H 1 2.235 0.030 . 1 . . . . 46 VAL HB . 10079 1 468 . 1 1 46 46 VAL HG11 H 1 1.029 0.030 . 1 . . . . 46 VAL HG1 . 10079 1 469 . 1 1 46 46 VAL HG12 H 1 1.029 0.030 . 1 . . . . 46 VAL HG1 . 10079 1 470 . 1 1 46 46 VAL HG13 H 1 1.029 0.030 . 1 . . . . 46 VAL HG1 . 10079 1 471 . 1 1 46 46 VAL HG21 H 1 1.115 0.030 . 1 . . . . 46 VAL HG2 . 10079 1 472 . 1 1 46 46 VAL HG22 H 1 1.115 0.030 . 1 . . . . 46 VAL HG2 . 10079 1 473 . 1 1 46 46 VAL HG23 H 1 1.115 0.030 . 1 . . . . 46 VAL HG2 . 10079 1 474 . 1 1 46 46 VAL C C 13 177.816 0.300 . 1 . . . . 46 VAL C . 10079 1 475 . 1 1 46 46 VAL CA C 13 67.481 0.300 . 1 . . . . 46 VAL CA . 10079 1 476 . 1 1 46 46 VAL CB C 13 31.153 0.300 . 1 . . . . 46 VAL CB . 10079 1 477 . 1 1 46 46 VAL CG1 C 13 21.634 0.300 . 2 . . . . 46 VAL CG1 . 10079 1 478 . 1 1 46 46 VAL CG2 C 13 23.822 0.300 . 2 . . . . 46 VAL CG2 . 10079 1 479 . 1 1 46 46 VAL N N 15 118.526 0.300 . 1 . . . . 46 VAL N . 10079 1 480 . 1 1 47 47 GLU H H 1 8.410 0.030 . 1 . . . . 47 GLU H . 10079 1 481 . 1 1 47 47 GLU HA H 1 4.093 0.030 . 1 . . . . 47 GLU HA . 10079 1 482 . 1 1 47 47 GLU HB2 H 1 2.195 0.030 . 2 . . . . 47 GLU HB2 . 10079 1 483 . 1 1 47 47 GLU HB3 H 1 2.044 0.030 . 2 . . . . 47 GLU HB3 . 10079 1 484 . 1 1 47 47 GLU HG2 H 1 2.157 0.030 . 2 . . . . 47 GLU HG2 . 10079 1 485 . 1 1 47 47 GLU HG3 H 1 2.119 0.030 . 2 . . . . 47 GLU HG3 . 10079 1 486 . 1 1 47 47 GLU C C 13 179.754 0.300 . 1 . . . . 47 GLU C . 10079 1 487 . 1 1 47 47 GLU CA C 13 59.349 0.300 . 1 . . . . 47 GLU CA . 10079 1 488 . 1 1 47 47 GLU CB C 13 29.144 0.300 . 1 . . . . 47 GLU CB . 10079 1 489 . 1 1 47 47 GLU CG C 13 36.377 0.300 . 1 . . . . 47 GLU CG . 10079 1 490 . 1 1 47 47 GLU N N 15 120.018 0.300 . 1 . . . . 47 GLU N . 10079 1 491 . 1 1 48 48 LEU H H 1 8.083 0.030 . 1 . . . . 48 LEU H . 10079 1 492 . 1 1 48 48 LEU HA H 1 4.228 0.030 . 1 . . . . 48 LEU HA . 10079 1 493 . 1 1 48 48 LEU HB2 H 1 2.075 0.030 . 2 . . . . 48 LEU HB2 . 10079 1 494 . 1 1 48 48 LEU HB3 H 1 1.472 0.030 . 2 . . . . 48 LEU HB3 . 10079 1 495 . 1 1 48 48 LEU HG H 1 1.954 0.030 . 1 . . . . 48 LEU HG . 10079 1 496 . 1 1 48 48 LEU HD11 H 1 0.830 0.030 . 1 . . . . 48 LEU HD1 . 10079 1 497 . 1 1 48 48 LEU HD12 H 1 0.830 0.030 . 1 . . . . 48 LEU HD1 . 10079 1 498 . 1 1 48 48 LEU HD13 H 1 0.830 0.030 . 1 . . . . 48 LEU HD1 . 10079 1 499 . 1 1 48 48 LEU HD21 H 1 0.908 0.030 . 1 . . . . 48 LEU HD2 . 10079 1 500 . 1 1 48 48 LEU HD22 H 1 0.908 0.030 . 1 . . . . 48 LEU HD2 . 10079 1 501 . 1 1 48 48 LEU HD23 H 1 0.908 0.030 . 1 . . . . 48 LEU HD2 . 10079 1 502 . 1 1 48 48 LEU C C 13 179.730 0.300 . 1 . . . . 48 LEU C . 10079 1 503 . 1 1 48 48 LEU CA C 13 58.115 0.300 . 1 . . . . 48 LEU CA . 10079 1 504 . 1 1 48 48 LEU CB C 13 41.424 0.300 . 1 . . . . 48 LEU CB . 10079 1 505 . 1 1 48 48 LEU CG C 13 26.841 0.300 . 1 . . . . 48 LEU CG . 10079 1 506 . 1 1 48 48 LEU CD1 C 13 26.069 0.300 . 2 . . . . 48 LEU CD1 . 10079 1 507 . 1 1 48 48 LEU CD2 C 13 23.761 0.300 . 2 . . . . 48 LEU CD2 . 10079 1 508 . 1 1 48 48 LEU N N 15 121.510 0.300 . 1 . . . . 48 LEU N . 10079 1 509 . 1 1 49 49 ALA H H 1 8.048 0.030 . 1 . . . . 49 ALA H . 10079 1 510 . 1 1 49 49 ALA HA H 1 3.905 0.030 . 1 . . . . 49 ALA HA . 10079 1 511 . 1 1 49 49 ALA HB1 H 1 1.576 0.030 . 1 . . . . 49 ALA HB . 10079 1 512 . 1 1 49 49 ALA HB2 H 1 1.576 0.030 . 1 . . . . 49 ALA HB . 10079 1 513 . 1 1 49 49 ALA HB3 H 1 1.576 0.030 . 1 . . . . 49 ALA HB . 10079 1 514 . 1 1 49 49 ALA C C 13 178.791 0.300 . 1 . . . . 49 ALA C . 10079 1 515 . 1 1 49 49 ALA CA C 13 55.771 0.300 . 1 . . . . 49 ALA CA . 10079 1 516 . 1 1 49 49 ALA CB C 13 18.564 0.300 . 1 . . . . 49 ALA CB . 10079 1 517 . 1 1 49 49 ALA N N 15 122.107 0.300 . 1 . . . . 49 ALA N . 10079 1 518 . 1 1 50 50 ARG H H 1 8.781 0.030 . 1 . . . . 50 ARG H . 10079 1 519 . 1 1 50 50 ARG HA H 1 3.918 0.030 . 1 . . . . 50 ARG HA . 10079 1 520 . 1 1 50 50 ARG HB2 H 1 2.023 0.030 . 2 . . . . 50 ARG HB2 . 10079 1 521 . 1 1 50 50 ARG HB3 H 1 1.955 0.030 . 2 . . . . 50 ARG HB3 . 10079 1 522 . 1 1 50 50 ARG HG2 H 1 1.935 0.030 . 2 . . . . 50 ARG HG2 . 10079 1 523 . 1 1 50 50 ARG HG3 H 1 1.713 0.030 . 2 . . . . 50 ARG HG3 . 10079 1 524 . 1 1 50 50 ARG HD2 H 1 3.263 0.030 . 1 . . . . 50 ARG HD2 . 10079 1 525 . 1 1 50 50 ARG HD3 H 1 3.263 0.030 . 1 . . . . 50 ARG HD3 . 10079 1 526 . 1 1 50 50 ARG C C 13 179.482 0.300 . 1 . . . . 50 ARG C . 10079 1 527 . 1 1 50 50 ARG CA C 13 60.354 0.300 . 1 . . . . 50 ARG CA . 10079 1 528 . 1 1 50 50 ARG CB C 13 30.199 0.300 . 1 . . . . 50 ARG CB . 10079 1 529 . 1 1 50 50 ARG CG C 13 28.456 0.300 . 1 . . . . 50 ARG CG . 10079 1 530 . 1 1 50 50 ARG CD C 13 43.225 0.300 . 1 . . . . 50 ARG CD . 10079 1 531 . 1 1 50 50 ARG N N 15 118.227 0.300 . 1 . . . . 50 ARG N . 10079 1 532 . 1 1 51 51 ASP H H 1 8.457 0.030 . 1 . . . . 51 ASP H . 10079 1 533 . 1 1 51 51 ASP HA H 1 4.429 0.030 . 1 . . . . 51 ASP HA . 10079 1 534 . 1 1 51 51 ASP HB2 H 1 2.872 0.030 . 1 . . . . 51 ASP HB2 . 10079 1 535 . 1 1 51 51 ASP HB3 H 1 2.872 0.030 . 1 . . . . 51 ASP HB3 . 10079 1 536 . 1 1 51 51 ASP C C 13 176.820 0.300 . 1 . . . . 51 ASP C . 10079 1 537 . 1 1 51 51 ASP CA C 13 57.976 0.300 . 1 . . . . 51 ASP CA . 10079 1 538 . 1 1 51 51 ASP CB C 13 42.303 0.300 . 1 . . . . 51 ASP CB . 10079 1 539 . 1 1 51 51 ASP N N 15 121.361 0.300 . 1 . . . . 51 ASP N . 10079 1 540 . 1 1 52 52 CYS H H 1 8.257 0.030 . 1 . . . . 52 CYS H . 10079 1 541 . 1 1 52 52 CYS HA H 1 4.107 0.030 . 1 . . . . 52 CYS HA . 10079 1 542 . 1 1 52 52 CYS HB2 H 1 3.373 0.030 . 2 . . . . 52 CYS HB2 . 10079 1 543 . 1 1 52 52 CYS HB3 H 1 3.076 0.030 . 2 . . . . 52 CYS HB3 . 10079 1 544 . 1 1 52 52 CYS C C 13 176.974 0.300 . 1 . . . . 52 CYS C . 10079 1 545 . 1 1 52 52 CYS CA C 13 62.565 0.300 . 1 . . . . 52 CYS CA . 10079 1 546 . 1 1 52 52 CYS CB C 13 26.573 0.300 . 1 . . . . 52 CYS CB . 10079 1 547 . 1 1 52 52 CYS N N 15 119.570 0.300 . 1 . . . . 52 CYS N . 10079 1 548 . 1 1 53 53 LEU H H 1 8.238 0.030 . 1 . . . . 53 LEU H . 10079 1 549 . 1 1 53 53 LEU HA H 1 3.987 0.030 . 1 . . . . 53 LEU HA . 10079 1 550 . 1 1 53 53 LEU HB2 H 1 2.105 0.030 . 2 . . . . 53 LEU HB2 . 10079 1 551 . 1 1 53 53 LEU HB3 H 1 1.548 0.030 . 2 . . . . 53 LEU HB3 . 10079 1 552 . 1 1 53 53 LEU HG H 1 1.649 0.030 . 1 . . . . 53 LEU HG . 10079 1 553 . 1 1 53 53 LEU HD11 H 1 0.955 0.030 . 1 . . . . 53 LEU HD1 . 10079 1 554 . 1 1 53 53 LEU HD12 H 1 0.955 0.030 . 1 . . . . 53 LEU HD1 . 10079 1 555 . 1 1 53 53 LEU HD13 H 1 0.955 0.030 . 1 . . . . 53 LEU HD1 . 10079 1 556 . 1 1 53 53 LEU HD21 H 1 1.108 0.030 . 1 . . . . 53 LEU HD2 . 10079 1 557 . 1 1 53 53 LEU HD22 H 1 1.108 0.030 . 1 . . . . 53 LEU HD2 . 10079 1 558 . 1 1 53 53 LEU HD23 H 1 1.108 0.030 . 1 . . . . 53 LEU HD2 . 10079 1 559 . 1 1 53 53 LEU C C 13 179.035 0.300 . 1 . . . . 53 LEU C . 10079 1 560 . 1 1 53 53 LEU CA C 13 58.330 0.300 . 1 . . . . 53 LEU CA . 10079 1 561 . 1 1 53 53 LEU CB C 13 42.087 0.300 . 1 . . . . 53 LEU CB . 10079 1 562 . 1 1 53 53 LEU CG C 13 27.043 0.300 . 1 . . . . 53 LEU CG . 10079 1 563 . 1 1 53 53 LEU CD1 C 13 26.576 0.300 . 2 . . . . 53 LEU CD1 . 10079 1 564 . 1 1 53 53 LEU CD2 C 13 23.859 0.300 . 2 . . . . 53 LEU CD2 . 10079 1 565 . 1 1 53 53 LEU N N 15 120.619 0.300 . 1 . . . . 53 LEU N . 10079 1 566 . 1 1 54 54 ALA H H 1 8.129 0.030 . 1 . . . . 54 ALA H . 10079 1 567 . 1 1 54 54 ALA HA H 1 4.125 0.030 . 1 . . . . 54 ALA HA . 10079 1 568 . 1 1 54 54 ALA HB1 H 1 1.552 0.030 . 1 . . . . 54 ALA HB . 10079 1 569 . 1 1 54 54 ALA HB2 H 1 1.552 0.030 . 1 . . . . 54 ALA HB . 10079 1 570 . 1 1 54 54 ALA HB3 H 1 1.552 0.030 . 1 . . . . 54 ALA HB . 10079 1 571 . 1 1 54 54 ALA C C 13 180.937 0.300 . 1 . . . . 54 ALA C . 10079 1 572 . 1 1 54 54 ALA CA C 13 55.100 0.300 . 1 . . . . 54 ALA CA . 10079 1 573 . 1 1 54 54 ALA CB C 13 18.091 0.300 . 1 . . . . 54 ALA CB . 10079 1 574 . 1 1 54 54 ALA N N 15 123.002 0.300 . 1 . . . . 54 ALA N . 10079 1 575 . 1 1 55 55 LYS H H 1 8.652 0.030 . 1 . . . . 55 LYS H . 10079 1 576 . 1 1 55 55 LYS HA H 1 3.914 0.030 . 1 . . . . 55 LYS HA . 10079 1 577 . 1 1 55 55 LYS HB2 H 1 1.515 0.030 . 2 . . . . 55 LYS HB2 . 10079 1 578 . 1 1 55 55 LYS HB3 H 1 1.146 0.030 . 2 . . . . 55 LYS HB3 . 10079 1 579 . 1 1 55 55 LYS HG2 H 1 1.310 0.030 . 2 . . . . 55 LYS HG2 . 10079 1 580 . 1 1 55 55 LYS HG3 H 1 1.203 0.030 . 2 . . . . 55 LYS HG3 . 10079 1 581 . 1 1 55 55 LYS HD2 H 1 1.309 0.030 . 1 . . . . 55 LYS HD2 . 10079 1 582 . 1 1 55 55 LYS HD3 H 1 1.309 0.030 . 1 . . . . 55 LYS HD3 . 10079 1 583 . 1 1 55 55 LYS HE2 H 1 2.975 0.030 . 2 . . . . 55 LYS HE2 . 10079 1 584 . 1 1 55 55 LYS HE3 H 1 2.888 0.030 . 2 . . . . 55 LYS HE3 . 10079 1 585 . 1 1 55 55 LYS C C 13 179.579 0.300 . 1 . . . . 55 LYS C . 10079 1 586 . 1 1 55 55 LYS CA C 13 58.461 0.300 . 1 . . . . 55 LYS CA . 10079 1 587 . 1 1 55 55 LYS CB C 13 32.307 0.300 . 1 . . . . 55 LYS CB . 10079 1 588 . 1 1 55 55 LYS CG C 13 26.192 0.300 . 1 . . . . 55 LYS CG . 10079 1 589 . 1 1 55 55 LYS CD C 13 28.348 0.300 . 1 . . . . 55 LYS CD . 10079 1 590 . 1 1 55 55 LYS CE C 13 42.431 0.300 . 1 . . . . 55 LYS CE . 10079 1 591 . 1 1 55 55 LYS N N 15 118.117 0.300 . 1 . . . . 55 LYS N . 10079 1 592 . 1 1 56 56 SER H H 1 8.490 0.030 . 1 . . . . 56 SER H . 10079 1 593 . 1 1 56 56 SER HA H 1 4.103 0.030 . 1 . . . . 56 SER HA . 10079 1 594 . 1 1 56 56 SER HB2 H 1 4.047 0.030 . 2 . . . . 56 SER HB2 . 10079 1 595 . 1 1 56 56 SER HB3 H 1 3.931 0.030 . 2 . . . . 56 SER HB3 . 10079 1 596 . 1 1 56 56 SER C C 13 178.486 0.300 . 1 . . . . 56 SER C . 10079 1 597 . 1 1 56 56 SER CA C 13 62.309 0.300 . 1 . . . . 56 SER CA . 10079 1 598 . 1 1 56 56 SER CB C 13 62.909 0.300 . 1 . . . . 56 SER CB . 10079 1 599 . 1 1 56 56 SER N N 15 116.441 0.300 . 1 . . . . 56 SER N . 10079 1 600 . 1 1 57 57 GLY H H 1 7.938 0.030 . 1 . . . . 57 GLY H . 10079 1 601 . 1 1 57 57 GLY HA2 H 1 4.043 0.030 . 2 . . . . 57 GLY HA2 . 10079 1 602 . 1 1 57 57 GLY HA3 H 1 3.992 0.030 . 2 . . . . 57 GLY HA3 . 10079 1 603 . 1 1 57 57 GLY C C 13 175.010 0.300 . 1 . . . . 57 GLY C . 10079 1 604 . 1 1 57 57 GLY CA C 13 46.813 0.300 . 1 . . . . 57 GLY CA . 10079 1 605 . 1 1 57 57 GLY N N 15 108.507 0.300 . 1 . . . . 57 GLY N . 10079 1 606 . 1 1 58 58 GLU H H 1 7.238 0.030 . 1 . . . . 58 GLU H . 10079 1 607 . 1 1 58 58 GLU HA H 1 4.421 0.030 . 1 . . . . 58 GLU HA . 10079 1 608 . 1 1 58 58 GLU HB2 H 1 2.262 0.030 . 2 . . . . 58 GLU HB2 . 10079 1 609 . 1 1 58 58 GLU HB3 H 1 1.792 0.030 . 2 . . . . 58 GLU HB3 . 10079 1 610 . 1 1 58 58 GLU HG2 H 1 2.352 0.030 . 2 . . . . 58 GLU HG2 . 10079 1 611 . 1 1 58 58 GLU HG3 H 1 2.250 0.030 . 2 . . . . 58 GLU HG3 . 10079 1 612 . 1 1 58 58 GLU C C 13 175.365 0.300 . 1 . . . . 58 GLU C . 10079 1 613 . 1 1 58 58 GLU CA C 13 55.683 0.300 . 1 . . . . 58 GLU CA . 10079 1 614 . 1 1 58 58 GLU CB C 13 30.874 0.300 . 1 . . . . 58 GLU CB . 10079 1 615 . 1 1 58 58 GLU CG C 13 36.574 0.300 . 1 . . . . 58 GLU CG . 10079 1 616 . 1 1 58 58 GLU N N 15 117.630 0.300 . 1 . . . . 58 GLU N . 10079 1 617 . 1 1 59 59 ASN H H 1 8.084 0.030 . 1 . . . . 59 ASN H . 10079 1 618 . 1 1 59 59 ASN HA H 1 4.588 0.030 . 1 . . . . 59 ASN HA . 10079 1 619 . 1 1 59 59 ASN HB2 H 1 3.122 0.030 . 2 . . . . 59 ASN HB2 . 10079 1 620 . 1 1 59 59 ASN HB3 H 1 2.852 0.030 . 2 . . . . 59 ASN HB3 . 10079 1 621 . 1 1 59 59 ASN HD21 H 1 7.555 0.030 . 2 . . . . 59 ASN HD21 . 10079 1 622 . 1 1 59 59 ASN HD22 H 1 6.840 0.030 . 2 . . . . 59 ASN HD22 . 10079 1 623 . 1 1 59 59 ASN C C 13 175.474 0.300 . 1 . . . . 59 ASN C . 10079 1 624 . 1 1 59 59 ASN CA C 13 54.414 0.300 . 1 . . . . 59 ASN CA . 10079 1 625 . 1 1 59 59 ASN CB C 13 37.338 0.300 . 1 . . . . 59 ASN CB . 10079 1 626 . 1 1 59 59 ASN N N 15 115.691 0.300 . 1 . . . . 59 ASN N . 10079 1 627 . 1 1 59 59 ASN ND2 N 15 112.909 0.300 . 1 . . . . 59 ASN ND2 . 10079 1 628 . 1 1 60 60 LEU H H 1 8.173 0.030 . 1 . . . . 60 LEU H . 10079 1 629 . 1 1 60 60 LEU HA H 1 4.524 0.030 . 1 . . . . 60 LEU HA . 10079 1 630 . 1 1 60 60 LEU HB2 H 1 1.624 0.030 . 2 . . . . 60 LEU HB2 . 10079 1 631 . 1 1 60 60 LEU HB3 H 1 1.391 0.030 . 2 . . . . 60 LEU HB3 . 10079 1 632 . 1 1 60 60 LEU HG H 1 1.558 0.030 . 1 . . . . 60 LEU HG . 10079 1 633 . 1 1 60 60 LEU HD11 H 1 0.883 0.030 . 1 . . . . 60 LEU HD1 . 10079 1 634 . 1 1 60 60 LEU HD12 H 1 0.883 0.030 . 1 . . . . 60 LEU HD1 . 10079 1 635 . 1 1 60 60 LEU HD13 H 1 0.883 0.030 . 1 . . . . 60 LEU HD1 . 10079 1 636 . 1 1 60 60 LEU HD21 H 1 0.847 0.030 . 1 . . . . 60 LEU HD2 . 10079 1 637 . 1 1 60 60 LEU HD22 H 1 0.847 0.030 . 1 . . . . 60 LEU HD2 . 10079 1 638 . 1 1 60 60 LEU HD23 H 1 0.847 0.030 . 1 . . . . 60 LEU HD2 . 10079 1 639 . 1 1 60 60 LEU C C 13 177.474 0.300 . 1 . . . . 60 LEU C . 10079 1 640 . 1 1 60 60 LEU CA C 13 54.326 0.300 . 1 . . . . 60 LEU CA . 10079 1 641 . 1 1 60 60 LEU CB C 13 43.628 0.300 . 1 . . . . 60 LEU CB . 10079 1 642 . 1 1 60 60 LEU CG C 13 26.144 0.300 . 1 . . . . 60 LEU CG . 10079 1 643 . 1 1 60 60 LEU CD1 C 13 25.771 0.300 . 2 . . . . 60 LEU CD1 . 10079 1 644 . 1 1 60 60 LEU CD2 C 13 22.594 0.300 . 2 . . . . 60 LEU CD2 . 10079 1 645 . 1 1 60 60 LEU N N 15 116.249 0.300 . 1 . . . . 60 LEU N . 10079 1 646 . 1 1 61 61 VAL H H 1 7.347 0.030 . 1 . . . . 61 VAL H . 10079 1 647 . 1 1 61 61 VAL HA H 1 3.678 0.030 . 1 . . . . 61 VAL HA . 10079 1 648 . 1 1 61 61 VAL HB H 1 1.806 0.030 . 1 . . . . 61 VAL HB . 10079 1 649 . 1 1 61 61 VAL HG11 H 1 0.411 0.030 . 1 . . . . 61 VAL HG1 . 10079 1 650 . 1 1 61 61 VAL HG12 H 1 0.411 0.030 . 1 . . . . 61 VAL HG1 . 10079 1 651 . 1 1 61 61 VAL HG13 H 1 0.411 0.030 . 1 . . . . 61 VAL HG1 . 10079 1 652 . 1 1 61 61 VAL HG21 H 1 0.784 0.030 . 1 . . . . 61 VAL HG2 . 10079 1 653 . 1 1 61 61 VAL HG22 H 1 0.784 0.030 . 1 . . . . 61 VAL HG2 . 10079 1 654 . 1 1 61 61 VAL HG23 H 1 0.784 0.030 . 1 . . . . 61 VAL HG2 . 10079 1 655 . 1 1 61 61 VAL C C 13 174.998 0.300 . 1 . . . . 61 VAL C . 10079 1 656 . 1 1 61 61 VAL CA C 13 62.390 0.300 . 1 . . . . 61 VAL CA . 10079 1 657 . 1 1 61 61 VAL CB C 13 31.845 0.300 . 1 . . . . 61 VAL CB . 10079 1 658 . 1 1 61 61 VAL CG1 C 13 22.596 0.300 . 2 . . . . 61 VAL CG1 . 10079 1 659 . 1 1 61 61 VAL CG2 C 13 20.293 0.300 . 2 . . . . 61 VAL CG2 . 10079 1 660 . 1 1 61 61 VAL N N 15 114.945 0.300 . 1 . . . . 61 VAL N . 10079 1 661 . 1 1 62 62 THR H H 1 6.799 0.030 . 1 . . . . 62 THR H . 10079 1 662 . 1 1 62 62 THR HA H 1 4.673 0.030 . 1 . . . . 62 THR HA . 10079 1 663 . 1 1 62 62 THR HB H 1 4.688 0.030 . 1 . . . . 62 THR HB . 10079 1 664 . 1 1 62 62 THR HG21 H 1 1.228 0.030 . 1 . . . . 62 THR HG2 . 10079 1 665 . 1 1 62 62 THR HG22 H 1 1.228 0.030 . 1 . . . . 62 THR HG2 . 10079 1 666 . 1 1 62 62 THR HG23 H 1 1.228 0.030 . 1 . . . . 62 THR HG2 . 10079 1 667 . 1 1 62 62 THR C C 13 174.893 0.300 . 1 . . . . 62 THR C . 10079 1 668 . 1 1 62 62 THR CA C 13 59.736 0.300 . 1 . . . . 62 THR CA . 10079 1 669 . 1 1 62 62 THR CB C 13 72.645 0.300 . 1 . . . . 62 THR CB . 10079 1 670 . 1 1 62 62 THR CG2 C 13 21.668 0.300 . 1 . . . . 62 THR CG2 . 10079 1 671 . 1 1 62 62 THR N N 15 113.154 0.300 . 1 . . . . 62 THR N . 10079 1 672 . 1 1 63 63 SER HA H 1 4.499 0.030 . 1 . . . . 63 SER HA . 10079 1 673 . 1 1 63 63 SER HB2 H 1 4.088 0.030 . 2 . . . . 63 SER HB2 . 10079 1 674 . 1 1 63 63 SER CA C 13 61.993 0.300 . 1 . . . . 63 SER CA . 10079 1 675 . 1 1 63 63 SER CB C 13 62.623 0.300 . 1 . . . . 63 SER CB . 10079 1 676 . 1 1 64 64 ARG HA H 1 4.135 0.030 . 1 . . . . 64 ARG HA . 10079 1 677 . 1 1 64 64 ARG HB2 H 1 1.892 0.030 . 2 . . . . 64 ARG HB2 . 10079 1 678 . 1 1 64 64 ARG HG2 H 1 1.783 0.030 . 2 . . . . 64 ARG HG2 . 10079 1 679 . 1 1 64 64 ARG HG3 H 1 1.696 0.030 . 2 . . . . 64 ARG HG3 . 10079 1 680 . 1 1 64 64 ARG HD2 H 1 3.232 0.030 . 2 . . . . 64 ARG HD2 . 10079 1 681 . 1 1 64 64 ARG C C 13 177.334 0.300 . 1 . . . . 64 ARG C . 10079 1 682 . 1 1 64 64 ARG CA C 13 58.890 0.300 . 1 . . . . 64 ARG CA . 10079 1 683 . 1 1 64 64 ARG CB C 13 29.607 0.300 . 1 . . . . 64 ARG CB . 10079 1 684 . 1 1 64 64 ARG CG C 13 27.002 0.300 . 1 . . . . 64 ARG CG . 10079 1 685 . 1 1 64 64 ARG CD C 13 43.220 0.300 . 1 . . . . 64 ARG CD . 10079 1 686 . 1 1 65 65 TYR H H 1 7.885 0.030 . 1 . . . . 65 TYR H . 10079 1 687 . 1 1 65 65 TYR HA H 1 4.053 0.030 . 1 . . . . 65 TYR HA . 10079 1 688 . 1 1 65 65 TYR HB2 H 1 3.178 0.030 . 2 . . . . 65 TYR HB2 . 10079 1 689 . 1 1 65 65 TYR HB3 H 1 2.909 0.030 . 2 . . . . 65 TYR HB3 . 10079 1 690 . 1 1 65 65 TYR HD1 H 1 6.551 0.030 . 1 . . . . 65 TYR HD1 . 10079 1 691 . 1 1 65 65 TYR HD2 H 1 6.551 0.030 . 1 . . . . 65 TYR HD2 . 10079 1 692 . 1 1 65 65 TYR HE1 H 1 6.732 0.030 . 1 . . . . 65 TYR HE1 . 10079 1 693 . 1 1 65 65 TYR HE2 H 1 6.732 0.030 . 1 . . . . 65 TYR HE2 . 10079 1 694 . 1 1 65 65 TYR C C 13 178.499 0.300 . 1 . . . . 65 TYR C . 10079 1 695 . 1 1 65 65 TYR CA C 13 61.921 0.300 . 1 . . . . 65 TYR CA . 10079 1 696 . 1 1 65 65 TYR CB C 13 38.586 0.300 . 1 . . . . 65 TYR CB . 10079 1 697 . 1 1 65 65 TYR CD1 C 13 132.881 0.300 . 1 . . . . 65 TYR CD1 . 10079 1 698 . 1 1 65 65 TYR CD2 C 13 132.881 0.300 . 1 . . . . 65 TYR CD2 . 10079 1 699 . 1 1 65 65 TYR CE1 C 13 118.250 0.300 . 1 . . . . 65 TYR CE1 . 10079 1 700 . 1 1 65 65 TYR CE2 C 13 118.250 0.300 . 1 . . . . 65 TYR CE2 . 10079 1 701 . 1 1 65 65 TYR N N 15 121.062 0.300 . 1 . . . . 65 TYR N . 10079 1 702 . 1 1 66 66 PHE H H 1 7.847 0.030 . 1 . . . . 66 PHE H . 10079 1 703 . 1 1 66 66 PHE HA H 1 4.293 0.030 . 1 . . . . 66 PHE HA . 10079 1 704 . 1 1 66 66 PHE HB2 H 1 3.292 0.030 . 2 . . . . 66 PHE HB2 . 10079 1 705 . 1 1 66 66 PHE HB3 H 1 3.109 0.030 . 2 . . . . 66 PHE HB3 . 10079 1 706 . 1 1 66 66 PHE HD1 H 1 7.381 0.030 . 1 . . . . 66 PHE HD1 . 10079 1 707 . 1 1 66 66 PHE HD2 H 1 7.381 0.030 . 1 . . . . 66 PHE HD2 . 10079 1 708 . 1 1 66 66 PHE HE1 H 1 7.334 0.030 . 1 . . . . 66 PHE HE1 . 10079 1 709 . 1 1 66 66 PHE HE2 H 1 7.334 0.030 . 1 . . . . 66 PHE HE2 . 10079 1 710 . 1 1 66 66 PHE HZ H 1 7.160 0.030 . 1 . . . . 66 PHE HZ . 10079 1 711 . 1 1 66 66 PHE C C 13 178.143 0.300 . 1 . . . . 66 PHE C . 10079 1 712 . 1 1 66 66 PHE CA C 13 61.677 0.300 . 1 . . . . 66 PHE CA . 10079 1 713 . 1 1 66 66 PHE CB C 13 38.747 0.300 . 1 . . . . 66 PHE CB . 10079 1 714 . 1 1 66 66 PHE CD1 C 13 131.525 0.300 . 1 . . . . 66 PHE CD1 . 10079 1 715 . 1 1 66 66 PHE CD2 C 13 131.525 0.300 . 1 . . . . 66 PHE CD2 . 10079 1 716 . 1 1 66 66 PHE CE1 C 13 131.525 0.300 . 1 . . . . 66 PHE CE1 . 10079 1 717 . 1 1 66 66 PHE CE2 C 13 131.525 0.300 . 1 . . . . 66 PHE CE2 . 10079 1 718 . 1 1 66 66 PHE CZ C 13 129.620 0.300 . 1 . . . . 66 PHE CZ . 10079 1 719 . 1 1 66 66 PHE N N 15 116.884 0.300 . 1 . . . . 66 PHE N . 10079 1 720 . 1 1 67 67 LEU H H 1 7.989 0.030 . 1 . . . . 67 LEU H . 10079 1 721 . 1 1 67 67 LEU HA H 1 4.163 0.030 . 1 . . . . 67 LEU HA . 10079 1 722 . 1 1 67 67 LEU HB2 H 1 1.887 0.030 . 2 . . . . 67 LEU HB2 . 10079 1 723 . 1 1 67 67 LEU HB3 H 1 1.735 0.030 . 2 . . . . 67 LEU HB3 . 10079 1 724 . 1 1 67 67 LEU HD11 H 1 0.922 0.030 . 1 . . . . 67 LEU HD1 . 10079 1 725 . 1 1 67 67 LEU HD12 H 1 0.922 0.030 . 1 . . . . 67 LEU HD1 . 10079 1 726 . 1 1 67 67 LEU HD13 H 1 0.922 0.030 . 1 . . . . 67 LEU HD1 . 10079 1 727 . 1 1 67 67 LEU HD21 H 1 0.949 0.030 . 1 . . . . 67 LEU HD2 . 10079 1 728 . 1 1 67 67 LEU HD22 H 1 0.949 0.030 . 1 . . . . 67 LEU HD2 . 10079 1 729 . 1 1 67 67 LEU HD23 H 1 0.949 0.030 . 1 . . . . 67 LEU HD2 . 10079 1 730 . 1 1 67 67 LEU C C 13 179.730 0.300 . 1 . . . . 67 LEU C . 10079 1 731 . 1 1 67 67 LEU CA C 13 58.450 0.300 . 1 . . . . 67 LEU CA . 10079 1 732 . 1 1 67 67 LEU CB C 13 41.636 0.300 . 1 . . . . 67 LEU CB . 10079 1 733 . 1 1 67 67 LEU CD1 C 13 23.914 0.300 . 2 . . . . 67 LEU CD1 . 10079 1 734 . 1 1 67 67 LEU CD2 C 13 24.923 0.300 . 2 . . . . 67 LEU CD2 . 10079 1 735 . 1 1 67 67 LEU N N 15 121.809 0.300 . 1 . . . . 67 LEU N . 10079 1 736 . 1 1 68 68 GLU H H 1 8.240 0.030 . 1 . . . . 68 GLU H . 10079 1 737 . 1 1 68 68 GLU HA H 1 4.000 0.030 . 1 . . . . 68 GLU HA . 10079 1 738 . 1 1 68 68 GLU HB2 H 1 2.034 0.030 . 2 . . . . 68 GLU HB2 . 10079 1 739 . 1 1 68 68 GLU HB3 H 1 1.885 0.030 . 2 . . . . 68 GLU HB3 . 10079 1 740 . 1 1 68 68 GLU HG2 H 1 2.447 0.030 . 2 . . . . 68 GLU HG2 . 10079 1 741 . 1 1 68 68 GLU HG3 H 1 2.158 0.030 . 2 . . . . 68 GLU HG3 . 10079 1 742 . 1 1 68 68 GLU C C 13 179.254 0.300 . 1 . . . . 68 GLU C . 10079 1 743 . 1 1 68 68 GLU CA C 13 59.402 0.300 . 1 . . . . 68 GLU CA . 10079 1 744 . 1 1 68 68 GLU CB C 13 29.103 0.300 . 1 . . . . 68 GLU CB . 10079 1 745 . 1 1 68 68 GLU CG C 13 36.993 0.300 . 1 . . . . 68 GLU CG . 10079 1 746 . 1 1 68 68 GLU N N 15 119.924 0.300 . 1 . . . . 68 GLU N . 10079 1 747 . 1 1 69 69 MET H H 1 8.201 0.030 . 1 . . . . 69 MET H . 10079 1 748 . 1 1 69 69 MET HA H 1 3.867 0.030 . 1 . . . . 69 MET HA . 10079 1 749 . 1 1 69 69 MET HB2 H 1 2.018 0.030 . 2 . . . . 69 MET HB2 . 10079 1 750 . 1 1 69 69 MET HB3 H 1 1.844 0.030 . 2 . . . . 69 MET HB3 . 10079 1 751 . 1 1 69 69 MET HG2 H 1 2.505 0.030 . 2 . . . . 69 MET HG2 . 10079 1 752 . 1 1 69 69 MET HG3 H 1 2.206 0.030 . 2 . . . . 69 MET HG3 . 10079 1 753 . 1 1 69 69 MET HE1 H 1 1.958 0.030 . 1 . . . . 69 MET HE . 10079 1 754 . 1 1 69 69 MET HE2 H 1 1.958 0.030 . 1 . . . . 69 MET HE . 10079 1 755 . 1 1 69 69 MET HE3 H 1 1.958 0.030 . 1 . . . . 69 MET HE . 10079 1 756 . 1 1 69 69 MET C C 13 177.791 0.300 . 1 . . . . 69 MET C . 10079 1 757 . 1 1 69 69 MET CA C 13 59.700 0.300 . 1 . . . . 69 MET CA . 10079 1 758 . 1 1 69 69 MET CB C 13 32.413 0.300 . 1 . . . . 69 MET CB . 10079 1 759 . 1 1 69 69 MET CG C 13 32.910 0.300 . 1 . . . . 69 MET CG . 10079 1 760 . 1 1 69 69 MET CE C 13 17.899 0.300 . 1 . . . . 69 MET CE . 10079 1 761 . 1 1 69 69 MET N N 15 120.875 0.300 . 1 . . . . 69 MET N . 10079 1 762 . 1 1 70 70 GLN H H 1 8.343 0.030 . 1 . . . . 70 GLN H . 10079 1 763 . 1 1 70 70 GLN HA H 1 3.786 0.030 . 1 . . . . 70 GLN HA . 10079 1 764 . 1 1 70 70 GLN HB2 H 1 2.210 0.030 . 1 . . . . 70 GLN HB2 . 10079 1 765 . 1 1 70 70 GLN HB3 H 1 2.210 0.030 . 1 . . . . 70 GLN HB3 . 10079 1 766 . 1 1 70 70 GLN HG2 H 1 2.399 0.030 . 2 . . . . 70 GLN HG2 . 10079 1 767 . 1 1 70 70 GLN HG3 H 1 2.219 0.030 . 2 . . . . 70 GLN HG3 . 10079 1 768 . 1 1 70 70 GLN HE21 H 1 7.473 0.030 . 2 . . . . 70 GLN HE21 . 10079 1 769 . 1 1 70 70 GLN HE22 H 1 6.702 0.030 . 2 . . . . 70 GLN HE22 . 10079 1 770 . 1 1 70 70 GLN C C 13 177.608 0.300 . 1 . . . . 70 GLN C . 10079 1 771 . 1 1 70 70 GLN CA C 13 60.004 0.300 . 1 . . . . 70 GLN CA . 10079 1 772 . 1 1 70 70 GLN CB C 13 27.922 0.300 . 1 . . . . 70 GLN CB . 10079 1 773 . 1 1 70 70 GLN CG C 13 33.694 0.300 . 1 . . . . 70 GLN CG . 10079 1 774 . 1 1 70 70 GLN N N 15 118.748 0.300 . 1 . . . . 70 GLN N . 10079 1 775 . 1 1 70 70 GLN NE2 N 15 110.499 0.300 . 1 . . . . 70 GLN NE2 . 10079 1 776 . 1 1 71 71 GLU H H 1 7.989 0.030 . 1 . . . . 71 GLU H . 10079 1 777 . 1 1 71 71 GLU HA H 1 4.061 0.030 . 1 . . . . 71 GLU HA . 10079 1 778 . 1 1 71 71 GLU HB2 H 1 2.178 0.030 . 2 . . . . 71 GLU HB2 . 10079 1 779 . 1 1 71 71 GLU HB3 H 1 2.075 0.030 . 2 . . . . 71 GLU HB3 . 10079 1 780 . 1 1 71 71 GLU HG2 H 1 2.491 0.030 . 2 . . . . 71 GLU HG2 . 10079 1 781 . 1 1 71 71 GLU HG3 H 1 2.217 0.030 . 2 . . . . 71 GLU HG3 . 10079 1 782 . 1 1 71 71 GLU C C 13 179.681 0.300 . 1 . . . . 71 GLU C . 10079 1 783 . 1 1 71 71 GLU CA C 13 59.669 0.300 . 1 . . . . 71 GLU CA . 10079 1 784 . 1 1 71 71 GLU CB C 13 29.570 0.300 . 1 . . . . 71 GLU CB . 10079 1 785 . 1 1 71 71 GLU CG C 13 36.486 0.300 . 1 . . . . 71 GLU CG . 10079 1 786 . 1 1 71 71 GLU N N 15 118.973 0.300 . 1 . . . . 71 GLU N . 10079 1 787 . 1 1 72 72 LYS H H 1 8.095 0.030 . 1 . . . . 72 LYS H . 10079 1 788 . 1 1 72 72 LYS HA H 1 3.987 0.030 . 1 . . . . 72 LYS HA . 10079 1 789 . 1 1 72 72 LYS HB2 H 1 1.966 0.030 . 2 . . . . 72 LYS HB2 . 10079 1 790 . 1 1 72 72 LYS HB3 H 1 1.808 0.030 . 2 . . . . 72 LYS HB3 . 10079 1 791 . 1 1 72 72 LYS HG2 H 1 1.673 0.030 . 2 . . . . 72 LYS HG2 . 10079 1 792 . 1 1 72 72 LYS HG3 H 1 1.434 0.030 . 2 . . . . 72 LYS HG3 . 10079 1 793 . 1 1 72 72 LYS HD2 H 1 1.701 0.030 . 2 . . . . 72 LYS HD2 . 10079 1 794 . 1 1 72 72 LYS HD3 H 1 1.612 0.030 . 2 . . . . 72 LYS HD3 . 10079 1 795 . 1 1 72 72 LYS HE2 H 1 2.867 0.030 . 2 . . . . 72 LYS HE2 . 10079 1 796 . 1 1 72 72 LYS C C 13 179.791 0.300 . 1 . . . . 72 LYS C . 10079 1 797 . 1 1 72 72 LYS CA C 13 59.912 0.300 . 1 . . . . 72 LYS CA . 10079 1 798 . 1 1 72 72 LYS CB C 13 32.886 0.300 . 1 . . . . 72 LYS CB . 10079 1 799 . 1 1 72 72 LYS CG C 13 26.083 0.300 . 1 . . . . 72 LYS CG . 10079 1 800 . 1 1 72 72 LYS CD C 13 29.847 0.300 . 1 . . . . 72 LYS CD . 10079 1 801 . 1 1 72 72 LYS CE C 13 42.314 0.300 . 1 . . . . 72 LYS CE . 10079 1 802 . 1 1 72 72 LYS N N 15 119.617 0.300 . 1 . . . . 72 LYS N . 10079 1 803 . 1 1 73 73 LEU H H 1 8.321 0.030 . 1 . . . . 73 LEU H . 10079 1 804 . 1 1 73 73 LEU HA H 1 3.964 0.030 . 1 . . . . 73 LEU HA . 10079 1 805 . 1 1 73 73 LEU HB2 H 1 2.099 0.030 . 2 . . . . 73 LEU HB2 . 10079 1 806 . 1 1 73 73 LEU HB3 H 1 1.381 0.030 . 2 . . . . 73 LEU HB3 . 10079 1 807 . 1 1 73 73 LEU HG H 1 1.873 0.030 . 1 . . . . 73 LEU HG . 10079 1 808 . 1 1 73 73 LEU HD11 H 1 0.941 0.030 . 1 . . . . 73 LEU HD1 . 10079 1 809 . 1 1 73 73 LEU HD12 H 1 0.941 0.030 . 1 . . . . 73 LEU HD1 . 10079 1 810 . 1 1 73 73 LEU HD13 H 1 0.941 0.030 . 1 . . . . 73 LEU HD1 . 10079 1 811 . 1 1 73 73 LEU C C 13 178.278 0.300 . 1 . . . . 73 LEU C . 10079 1 812 . 1 1 73 73 LEU CA C 13 58.203 0.300 . 1 . . . . 73 LEU CA . 10079 1 813 . 1 1 73 73 LEU CB C 13 41.440 0.300 . 1 . . . . 73 LEU CB . 10079 1 814 . 1 1 73 73 LEU CG C 13 27.294 0.300 . 1 . . . . 73 LEU CG . 10079 1 815 . 1 1 73 73 LEU CD1 C 13 25.043 0.300 . 2 . . . . 73 LEU CD1 . 10079 1 816 . 1 1 73 73 LEU N N 15 119.749 0.300 . 1 . . . . 73 LEU N . 10079 1 817 . 1 1 74 74 GLU H H 1 8.435 0.030 . 1 . . . . 74 GLU H . 10079 1 818 . 1 1 74 74 GLU HA H 1 3.965 0.030 . 1 . . . . 74 GLU HA . 10079 1 819 . 1 1 74 74 GLU HB2 H 1 2.196 0.030 . 2 . . . . 74 GLU HB2 . 10079 1 820 . 1 1 74 74 GLU HB3 H 1 2.044 0.030 . 2 . . . . 74 GLU HB3 . 10079 1 821 . 1 1 74 74 GLU HG2 H 1 2.532 0.030 . 2 . . . . 74 GLU HG2 . 10079 1 822 . 1 1 74 74 GLU HG3 H 1 2.206 0.030 . 2 . . . . 74 GLU HG3 . 10079 1 823 . 1 1 74 74 GLU C C 13 179.937 0.300 . 1 . . . . 74 GLU C . 10079 1 824 . 1 1 74 74 GLU CA C 13 59.983 0.300 . 1 . . . . 74 GLU CA . 10079 1 825 . 1 1 74 74 GLU CB C 13 29.101 0.300 . 1 . . . . 74 GLU CB . 10079 1 826 . 1 1 74 74 GLU CG C 13 37.071 0.300 . 1 . . . . 74 GLU CG . 10079 1 827 . 1 1 74 74 GLU N N 15 118.377 0.300 . 1 . . . . 74 GLU N . 10079 1 828 . 1 1 75 75 ARG H H 1 7.844 0.030 . 1 . . . . 75 ARG H . 10079 1 829 . 1 1 75 75 ARG HA H 1 4.189 0.030 . 1 . . . . 75 ARG HA . 10079 1 830 . 1 1 75 75 ARG HB2 H 1 2.067 0.030 . 2 . . . . 75 ARG HB2 . 10079 1 831 . 1 1 75 75 ARG HB3 H 1 1.990 0.030 . 2 . . . . 75 ARG HB3 . 10079 1 832 . 1 1 75 75 ARG HG2 H 1 1.824 0.030 . 2 . . . . 75 ARG HG2 . 10079 1 833 . 1 1 75 75 ARG HG3 H 1 1.742 0.030 . 2 . . . . 75 ARG HG3 . 10079 1 834 . 1 1 75 75 ARG HD2 H 1 3.265 0.030 . 2 . . . . 75 ARG HD2 . 10079 1 835 . 1 1 75 75 ARG C C 13 178.498 0.300 . 1 . . . . 75 ARG C . 10079 1 836 . 1 1 75 75 ARG CA C 13 58.925 0.300 . 1 . . . . 75 ARG CA . 10079 1 837 . 1 1 75 75 ARG CB C 13 29.828 0.300 . 1 . . . . 75 ARG CB . 10079 1 838 . 1 1 75 75 ARG CG C 13 27.203 0.300 . 1 . . . . 75 ARG CG . 10079 1 839 . 1 1 75 75 ARG CD C 13 43.220 0.300 . 1 . . . . 75 ARG CD . 10079 1 840 . 1 1 75 75 ARG N N 15 120.725 0.300 . 1 . . . . 75 ARG N . 10079 1 841 . 1 1 76 76 LEU H H 1 8.011 0.030 . 1 . . . . 76 LEU H . 10079 1 842 . 1 1 76 76 LEU HA H 1 4.222 0.030 . 1 . . . . 76 LEU HA . 10079 1 843 . 1 1 76 76 LEU HB2 H 1 2.026 0.030 . 2 . . . . 76 LEU HB2 . 10079 1 844 . 1 1 76 76 LEU HB3 H 1 1.313 0.030 . 2 . . . . 76 LEU HB3 . 10079 1 845 . 1 1 76 76 LEU HG H 1 1.928 0.030 . 1 . . . . 76 LEU HG . 10079 1 846 . 1 1 76 76 LEU HD11 H 1 0.795 0.030 . 1 . . . . 76 LEU HD1 . 10079 1 847 . 1 1 76 76 LEU HD12 H 1 0.795 0.030 . 1 . . . . 76 LEU HD1 . 10079 1 848 . 1 1 76 76 LEU HD13 H 1 0.795 0.030 . 1 . . . . 76 LEU HD1 . 10079 1 849 . 1 1 76 76 LEU HD21 H 1 0.982 0.030 . 1 . . . . 76 LEU HD2 . 10079 1 850 . 1 1 76 76 LEU HD22 H 1 0.982 0.030 . 1 . . . . 76 LEU HD2 . 10079 1 851 . 1 1 76 76 LEU HD23 H 1 0.982 0.030 . 1 . . . . 76 LEU HD2 . 10079 1 852 . 1 1 76 76 LEU C C 13 178.973 0.300 . 1 . . . . 76 LEU C . 10079 1 853 . 1 1 76 76 LEU CA C 13 58.097 0.300 . 1 . . . . 76 LEU CA . 10079 1 854 . 1 1 76 76 LEU CB C 13 41.300 0.300 . 1 . . . . 76 LEU CB . 10079 1 855 . 1 1 76 76 LEU CG C 13 27.064 0.300 . 1 . . . . 76 LEU CG . 10079 1 856 . 1 1 76 76 LEU CD1 C 13 26.551 0.300 . 2 . . . . 76 LEU CD1 . 10079 1 857 . 1 1 76 76 LEU CD2 C 13 23.035 0.300 . 2 . . . . 76 LEU CD2 . 10079 1 858 . 1 1 76 76 LEU N N 15 120.670 0.300 . 1 . . . . 76 LEU N . 10079 1 859 . 1 1 77 77 LEU H H 1 8.073 0.030 . 1 . . . . 77 LEU H . 10079 1 860 . 1 1 77 77 LEU HA H 1 3.905 0.030 . 1 . . . . 77 LEU HA . 10079 1 861 . 1 1 77 77 LEU HB2 H 1 1.965 0.030 . 2 . . . . 77 LEU HB2 . 10079 1 862 . 1 1 77 77 LEU HB3 H 1 1.807 0.030 . 2 . . . . 77 LEU HB3 . 10079 1 863 . 1 1 77 77 LEU HG H 1 1.740 0.030 . 1 . . . . 77 LEU HG . 10079 1 864 . 1 1 77 77 LEU HD11 H 1 0.948 0.030 . 1 . . . . 77 LEU HD1 . 10079 1 865 . 1 1 77 77 LEU HD12 H 1 0.948 0.030 . 1 . . . . 77 LEU HD1 . 10079 1 866 . 1 1 77 77 LEU HD13 H 1 0.948 0.030 . 1 . . . . 77 LEU HD1 . 10079 1 867 . 1 1 77 77 LEU C C 13 178.632 0.300 . 1 . . . . 77 LEU C . 10079 1 868 . 1 1 77 77 LEU CA C 13 58.150 0.300 . 1 . . . . 77 LEU CA . 10079 1 869 . 1 1 77 77 LEU CB C 13 42.172 0.300 . 1 . . . . 77 LEU CB . 10079 1 870 . 1 1 77 77 LEU CG C 13 26.919 0.300 . 1 . . . . 77 LEU CG . 10079 1 871 . 1 1 77 77 LEU CD1 C 13 25.199 0.300 . 2 . . . . 77 LEU CD1 . 10079 1 872 . 1 1 77 77 LEU N N 15 118.675 0.300 . 1 . . . . 77 LEU N . 10079 1 873 . 1 1 78 78 GLN H H 1 7.701 0.030 . 1 . . . . 78 GLN H . 10079 1 874 . 1 1 78 78 GLN HA H 1 4.117 0.030 . 1 . . . . 78 GLN HA . 10079 1 875 . 1 1 78 78 GLN HB2 H 1 2.273 0.030 . 1 . . . . 78 GLN HB2 . 10079 1 876 . 1 1 78 78 GLN HB3 H 1 2.273 0.030 . 1 . . . . 78 GLN HB3 . 10079 1 877 . 1 1 78 78 GLN HG2 H 1 2.543 0.030 . 2 . . . . 78 GLN HG2 . 10079 1 878 . 1 1 78 78 GLN HG3 H 1 2.496 0.030 . 2 . . . . 78 GLN HG3 . 10079 1 879 . 1 1 78 78 GLN HE21 H 1 7.238 0.030 . 2 . . . . 78 GLN HE21 . 10079 1 880 . 1 1 78 78 GLN HE22 H 1 6.840 0.030 . 2 . . . . 78 GLN HE22 . 10079 1 881 . 1 1 78 78 GLN C C 13 179.084 0.300 . 1 . . . . 78 GLN C . 10079 1 882 . 1 1 78 78 GLN CA C 13 59.165 0.300 . 1 . . . . 78 GLN CA . 10079 1 883 . 1 1 78 78 GLN CB C 13 28.081 0.300 . 1 . . . . 78 GLN CB . 10079 1 884 . 1 1 78 78 GLN CG C 13 33.828 0.300 . 1 . . . . 78 GLN CG . 10079 1 885 . 1 1 78 78 GLN N N 15 118.871 0.300 . 1 . . . . 78 GLN N . 10079 1 886 . 1 1 78 78 GLN NE2 N 15 111.436 0.300 . 1 . . . . 78 GLN NE2 . 10079 1 887 . 1 1 79 79 ASP H H 1 8.432 0.030 . 1 . . . . 79 ASP H . 10079 1 888 . 1 1 79 79 ASP HA H 1 4.346 0.030 . 1 . . . . 79 ASP HA . 10079 1 889 . 1 1 79 79 ASP HB2 H 1 3.009 0.030 . 2 . . . . 79 ASP HB2 . 10079 1 890 . 1 1 79 79 ASP HB3 H 1 2.566 0.030 . 2 . . . . 79 ASP HB3 . 10079 1 891 . 1 1 79 79 ASP C C 13 179.389 0.300 . 1 . . . . 79 ASP C . 10079 1 892 . 1 1 79 79 ASP CA C 13 57.433 0.300 . 1 . . . . 79 ASP CA . 10079 1 893 . 1 1 79 79 ASP CB C 13 40.362 0.300 . 1 . . . . 79 ASP CB . 10079 1 894 . 1 1 79 79 ASP N N 15 120.538 0.300 . 1 . . . . 79 ASP N . 10079 1 895 . 1 1 80 80 ALA H H 1 8.279 0.030 . 1 . . . . 80 ALA H . 10079 1 896 . 1 1 80 80 ALA HA H 1 3.830 0.030 . 1 . . . . 80 ALA HA . 10079 1 897 . 1 1 80 80 ALA HB1 H 1 1.433 0.030 . 1 . . . . 80 ALA HB . 10079 1 898 . 1 1 80 80 ALA HB2 H 1 1.433 0.030 . 1 . . . . 80 ALA HB . 10079 1 899 . 1 1 80 80 ALA HB3 H 1 1.433 0.030 . 1 . . . . 80 ALA HB . 10079 1 900 . 1 1 80 80 ALA C C 13 178.303 0.300 . 1 . . . . 80 ALA C . 10079 1 901 . 1 1 80 80 ALA CA C 13 55.154 0.300 . 1 . . . . 80 ALA CA . 10079 1 902 . 1 1 80 80 ALA CB C 13 18.193 0.300 . 1 . . . . 80 ALA CB . 10079 1 903 . 1 1 80 80 ALA N N 15 122.507 0.300 . 1 . . . . 80 ALA N . 10079 1 904 . 1 1 81 81 HIS H H 1 7.836 0.030 . 1 . . . . 81 HIS H . 10079 1 905 . 1 1 81 81 HIS HA H 1 4.422 0.030 . 1 . . . . 81 HIS HA . 10079 1 906 . 1 1 81 81 HIS HB2 H 1 3.282 0.030 . 2 . . . . 81 HIS HB2 . 10079 1 907 . 1 1 81 81 HIS HB3 H 1 3.203 0.030 . 2 . . . . 81 HIS HB3 . 10079 1 908 . 1 1 81 81 HIS HD2 H 1 6.995 0.030 . 1 . . . . 81 HIS HD2 . 10079 1 909 . 1 1 81 81 HIS HE1 H 1 7.775 0.030 . 1 . . . . 81 HIS HE1 . 10079 1 910 . 1 1 81 81 HIS C C 13 176.901 0.300 . 1 . . . . 81 HIS C . 10079 1 911 . 1 1 81 81 HIS CA C 13 58.996 0.300 . 1 . . . . 81 HIS CA . 10079 1 912 . 1 1 81 81 HIS CB C 13 29.944 0.300 . 1 . . . . 81 HIS CB . 10079 1 913 . 1 1 81 81 HIS CD2 C 13 122.135 0.300 . 1 . . . . 81 HIS CD2 . 10079 1 914 . 1 1 81 81 HIS CE1 C 13 137.631 0.300 . 1 . . . . 81 HIS CE1 . 10079 1 915 . 1 1 81 81 HIS N N 15 112.805 0.300 . 1 . . . . 81 HIS N . 10079 1 916 . 1 1 82 82 GLU H H 1 7.695 0.030 . 1 . . . . 82 GLU H . 10079 1 917 . 1 1 82 82 GLU HA H 1 4.255 0.030 . 1 . . . . 82 GLU HA . 10079 1 918 . 1 1 82 82 GLU HB2 H 1 2.236 0.030 . 2 . . . . 82 GLU HB2 . 10079 1 919 . 1 1 82 82 GLU HB3 H 1 2.119 0.030 . 2 . . . . 82 GLU HB3 . 10079 1 920 . 1 1 82 82 GLU HG2 H 1 2.607 0.030 . 2 . . . . 82 GLU HG2 . 10079 1 921 . 1 1 82 82 GLU HG3 H 1 2.367 0.030 . 2 . . . . 82 GLU HG3 . 10079 1 922 . 1 1 82 82 GLU C C 13 177.791 0.300 . 1 . . . . 82 GLU C . 10079 1 923 . 1 1 82 82 GLU CA C 13 57.664 0.300 . 1 . . . . 82 GLU CA . 10079 1 924 . 1 1 82 82 GLU CB C 13 30.090 0.300 . 1 . . . . 82 GLU CB . 10079 1 925 . 1 1 82 82 GLU CG C 13 36.679 0.300 . 1 . . . . 82 GLU CG . 10079 1 926 . 1 1 82 82 GLU N N 15 116.539 0.300 . 1 . . . . 82 GLU N . 10079 1 927 . 1 1 83 83 ARG H H 1 7.751 0.030 . 1 . . . . 83 ARG H . 10079 1 928 . 1 1 83 83 ARG HA H 1 4.511 0.030 . 1 . . . . 83 ARG HA . 10079 1 929 . 1 1 83 83 ARG HB2 H 1 2.199 0.030 . 2 . . . . 83 ARG HB2 . 10079 1 930 . 1 1 83 83 ARG HB3 H 1 1.956 0.030 . 2 . . . . 83 ARG HB3 . 10079 1 931 . 1 1 83 83 ARG HG2 H 1 1.895 0.030 . 2 . . . . 83 ARG HG2 . 10079 1 932 . 1 1 83 83 ARG HG3 H 1 1.709 0.030 . 2 . . . . 83 ARG HG3 . 10079 1 933 . 1 1 83 83 ARG HD2 H 1 3.203 0.030 . 2 . . . . 83 ARG HD2 . 10079 1 934 . 1 1 83 83 ARG HD3 H 1 3.149 0.030 . 2 . . . . 83 ARG HD3 . 10079 1 935 . 1 1 83 83 ARG C C 13 176.132 0.300 . 1 . . . . 83 ARG C . 10079 1 936 . 1 1 83 83 ARG CA C 13 54.515 0.300 . 1 . . . . 83 ARG CA . 10079 1 937 . 1 1 83 83 ARG CB C 13 28.848 0.300 . 1 . . . . 83 ARG CB . 10079 1 938 . 1 1 83 83 ARG CG C 13 25.961 0.300 . 1 . . . . 83 ARG CG . 10079 1 939 . 1 1 83 83 ARG CD C 13 41.660 0.300 . 1 . . . . 83 ARG CD . 10079 1 940 . 1 1 83 83 ARG N N 15 117.230 0.300 . 1 . . . . 83 ARG N . 10079 1 941 . 1 1 84 84 SER H H 1 7.953 0.030 . 1 . . . . 84 SER H . 10079 1 942 . 1 1 84 84 SER HA H 1 4.499 0.030 . 1 . . . . 84 SER HA . 10079 1 943 . 1 1 84 84 SER HB2 H 1 3.916 0.030 . 2 . . . . 84 SER HB2 . 10079 1 944 . 1 1 84 84 SER HB3 H 1 3.871 0.030 . 2 . . . . 84 SER HB3 . 10079 1 945 . 1 1 84 84 SER C C 13 173.776 0.300 . 1 . . . . 84 SER C . 10079 1 946 . 1 1 84 84 SER CA C 13 59.207 0.300 . 1 . . . . 84 SER CA . 10079 1 947 . 1 1 84 84 SER CB C 13 64.441 0.300 . 1 . . . . 84 SER CB . 10079 1 948 . 1 1 84 84 SER N N 15 112.587 0.300 . 1 . . . . 84 SER N . 10079 1 949 . 1 1 85 85 ASP H H 1 8.222 0.030 . 1 . . . . 85 ASP H . 10079 1 950 . 1 1 85 85 ASP HA H 1 4.751 0.030 . 1 . . . . 85 ASP HA . 10079 1 951 . 1 1 85 85 ASP HB2 H 1 2.837 0.030 . 2 . . . . 85 ASP HB2 . 10079 1 952 . 1 1 85 85 ASP HB3 H 1 2.752 0.030 . 2 . . . . 85 ASP HB3 . 10079 1 953 . 1 1 85 85 ASP C C 13 176.082 0.300 . 1 . . . . 85 ASP C . 10079 1 954 . 1 1 85 85 ASP CA C 13 54.026 0.300 . 1 . . . . 85 ASP CA . 10079 1 955 . 1 1 85 85 ASP CB C 13 41.149 0.300 . 1 . . . . 85 ASP CB . 10079 1 956 . 1 1 85 85 ASP N N 15 121.772 0.300 . 1 . . . . 85 ASP N . 10079 1 957 . 1 1 86 86 SER H H 1 8.333 0.030 . 1 . . . . 86 SER H . 10079 1 958 . 1 1 86 86 SER HA H 1 4.421 0.030 . 1 . . . . 86 SER HA . 10079 1 959 . 1 1 86 86 SER HB2 H 1 4.171 0.030 . 2 . . . . 86 SER HB2 . 10079 1 960 . 1 1 86 86 SER HB3 H 1 4.011 0.030 . 2 . . . . 86 SER HB3 . 10079 1 961 . 1 1 86 86 SER CA C 13 59.354 0.300 . 1 . . . . 86 SER CA . 10079 1 962 . 1 1 86 86 SER CB C 13 64.234 0.300 . 1 . . . . 86 SER CB . 10079 1 963 . 1 1 86 86 SER N N 15 118.035 0.300 . 1 . . . . 86 SER N . 10079 1 964 . 1 1 87 87 GLU HA H 1 4.257 0.030 . 1 . . . . 87 GLU HA . 10079 1 965 . 1 1 87 87 GLU HB2 H 1 2.140 0.030 . 2 . . . . 87 GLU HB2 . 10079 1 966 . 1 1 87 87 GLU HG2 H 1 2.377 0.030 . 2 . . . . 87 GLU HG2 . 10079 1 967 . 1 1 87 87 GLU C C 13 179.021 0.300 . 1 . . . . 87 GLU C . 10079 1 968 . 1 1 87 87 GLU CA C 13 59.172 0.300 . 1 . . . . 87 GLU CA . 10079 1 969 . 1 1 87 87 GLU CB C 13 29.132 0.300 . 1 . . . . 87 GLU CB . 10079 1 970 . 1 1 87 87 GLU CG C 13 36.464 0.300 . 1 . . . . 87 GLU CG . 10079 1 971 . 1 1 88 88 GLU H H 1 8.331 0.030 . 1 . . . . 88 GLU H . 10079 1 972 . 1 1 88 88 GLU HA H 1 4.183 0.030 . 1 . . . . 88 GLU HA . 10079 1 973 . 1 1 88 88 GLU HB2 H 1 2.129 0.030 . 2 . . . . 88 GLU HB2 . 10079 1 974 . 1 1 88 88 GLU HB3 H 1 2.018 0.030 . 2 . . . . 88 GLU HB3 . 10079 1 975 . 1 1 88 88 GLU HG2 H 1 2.550 0.030 . 2 . . . . 88 GLU HG2 . 10079 1 976 . 1 1 88 88 GLU HG3 H 1 2.175 0.030 . 2 . . . . 88 GLU HG3 . 10079 1 977 . 1 1 88 88 GLU C C 13 178.413 0.300 . 1 . . . . 88 GLU C . 10079 1 978 . 1 1 88 88 GLU CA C 13 59.606 0.300 . 1 . . . . 88 GLU CA . 10079 1 979 . 1 1 88 88 GLU CB C 13 30.265 0.300 . 1 . . . . 88 GLU CB . 10079 1 980 . 1 1 88 88 GLU CG C 13 38.010 0.300 . 1 . . . . 88 GLU CG . 10079 1 981 . 1 1 88 88 GLU N N 15 119.864 0.300 . 1 . . . . 88 GLU N . 10079 1 982 . 1 1 89 89 VAL H H 1 7.994 0.030 . 1 . . . . 89 VAL H . 10079 1 983 . 1 1 89 89 VAL HA H 1 3.486 0.030 . 1 . . . . 89 VAL HA . 10079 1 984 . 1 1 89 89 VAL HB H 1 2.129 0.030 . 1 . . . . 89 VAL HB . 10079 1 985 . 1 1 89 89 VAL HG11 H 1 0.740 0.030 . 1 . . . . 89 VAL HG1 . 10079 1 986 . 1 1 89 89 VAL HG12 H 1 0.740 0.030 . 1 . . . . 89 VAL HG1 . 10079 1 987 . 1 1 89 89 VAL HG13 H 1 0.740 0.030 . 1 . . . . 89 VAL HG1 . 10079 1 988 . 1 1 89 89 VAL HG21 H 1 1.035 0.030 . 1 . . . . 89 VAL HG2 . 10079 1 989 . 1 1 89 89 VAL HG22 H 1 1.035 0.030 . 1 . . . . 89 VAL HG2 . 10079 1 990 . 1 1 89 89 VAL HG23 H 1 1.035 0.030 . 1 . . . . 89 VAL HG2 . 10079 1 991 . 1 1 89 89 VAL C C 13 177.775 0.300 . 1 . . . . 89 VAL C . 10079 1 992 . 1 1 89 89 VAL CA C 13 67.303 0.300 . 1 . . . . 89 VAL CA . 10079 1 993 . 1 1 89 89 VAL CB C 13 31.915 0.300 . 1 . . . . 89 VAL CB . 10079 1 994 . 1 1 89 89 VAL CG1 C 13 21.140 0.300 . 2 . . . . 89 VAL CG1 . 10079 1 995 . 1 1 89 89 VAL CG2 C 13 24.271 0.300 . 2 . . . . 89 VAL CG2 . 10079 1 996 . 1 1 90 90 SER H H 1 7.838 0.030 . 1 . . . . 90 SER H . 10079 1 997 . 1 1 90 90 SER HA H 1 4.114 0.030 . 1 . . . . 90 SER HA . 10079 1 998 . 1 1 90 90 SER HB2 H 1 4.061 0.030 . 2 . . . . 90 SER HB2 . 10079 1 999 . 1 1 90 90 SER HB3 H 1 4.035 0.030 . 2 . . . . 90 SER HB3 . 10079 1 1000 . 1 1 90 90 SER C C 13 176.477 0.300 . 1 . . . . 90 SER C . 10079 1 1001 . 1 1 90 90 SER CA C 13 61.815 0.300 . 1 . . . . 90 SER CA . 10079 1 1002 . 1 1 90 90 SER CB C 13 62.658 0.300 . 1 . . . . 90 SER CB . 10079 1 1003 . 1 1 90 90 SER N N 15 113.956 0.300 . 1 . . . . 90 SER N . 10079 1 1004 . 1 1 91 91 PHE H H 1 7.657 0.030 . 1 . . . . 91 PHE H . 10079 1 1005 . 1 1 91 91 PHE HA H 1 4.313 0.030 . 1 . . . . 91 PHE HA . 10079 1 1006 . 1 1 91 91 PHE HB2 H 1 3.322 0.030 . 2 . . . . 91 PHE HB2 . 10079 1 1007 . 1 1 91 91 PHE HB3 H 1 3.243 0.030 . 2 . . . . 91 PHE HB3 . 10079 1 1008 . 1 1 91 91 PHE HD1 H 1 7.120 0.030 . 1 . . . . 91 PHE HD1 . 10079 1 1009 . 1 1 91 91 PHE HD2 H 1 7.120 0.030 . 1 . . . . 91 PHE HD2 . 10079 1 1010 . 1 1 91 91 PHE HE1 H 1 6.811 0.030 . 1 . . . . 91 PHE HE1 . 10079 1 1011 . 1 1 91 91 PHE HE2 H 1 6.811 0.030 . 1 . . . . 91 PHE HE2 . 10079 1 1012 . 1 1 91 91 PHE HZ H 1 6.982 0.030 . 1 . . . . 91 PHE HZ . 10079 1 1013 . 1 1 91 91 PHE C C 13 176.608 0.300 . 1 . . . . 91 PHE C . 10079 1 1014 . 1 1 91 91 PHE CA C 13 61.056 0.300 . 1 . . . . 91 PHE CA . 10079 1 1015 . 1 1 91 91 PHE CB C 13 38.730 0.300 . 1 . . . . 91 PHE CB . 10079 1 1016 . 1 1 91 91 PHE CD1 C 13 132.120 0.300 . 1 . . . . 91 PHE CD1 . 10079 1 1017 . 1 1 91 91 PHE CD2 C 13 132.120 0.300 . 1 . . . . 91 PHE CD2 . 10079 1 1018 . 1 1 91 91 PHE CE1 C 13 130.841 0.300 . 1 . . . . 91 PHE CE1 . 10079 1 1019 . 1 1 91 91 PHE CE2 C 13 130.841 0.300 . 1 . . . . 91 PHE CE2 . 10079 1 1020 . 1 1 91 91 PHE CZ C 13 129.466 0.300 . 1 . . . . 91 PHE CZ . 10079 1 1021 . 1 1 91 91 PHE N N 15 122.154 0.300 . 1 . . . . 91 PHE N . 10079 1 1022 . 1 1 92 92 ILE H H 1 7.400 0.030 . 1 . . . . 92 ILE H . 10079 1 1023 . 1 1 92 92 ILE HA H 1 3.413 0.030 . 1 . . . . 92 ILE HA . 10079 1 1024 . 1 1 92 92 ILE HB H 1 2.355 0.030 . 1 . . . . 92 ILE HB . 10079 1 1025 . 1 1 92 92 ILE HG12 H 1 1.941 0.030 . 2 . . . . 92 ILE HG12 . 10079 1 1026 . 1 1 92 92 ILE HG13 H 1 1.475 0.030 . 2 . . . . 92 ILE HG13 . 10079 1 1027 . 1 1 92 92 ILE HG21 H 1 0.775 0.030 . 1 . . . . 92 ILE HG2 . 10079 1 1028 . 1 1 92 92 ILE HG22 H 1 0.775 0.030 . 1 . . . . 92 ILE HG2 . 10079 1 1029 . 1 1 92 92 ILE HG23 H 1 0.775 0.030 . 1 . . . . 92 ILE HG2 . 10079 1 1030 . 1 1 92 92 ILE HD11 H 1 0.808 0.030 . 1 . . . . 92 ILE HD1 . 10079 1 1031 . 1 1 92 92 ILE HD12 H 1 0.808 0.030 . 1 . . . . 92 ILE HD1 . 10079 1 1032 . 1 1 92 92 ILE HD13 H 1 0.808 0.030 . 1 . . . . 92 ILE HD1 . 10079 1 1033 . 1 1 92 92 ILE C C 13 177.462 0.300 . 1 . . . . 92 ILE C . 10079 1 1034 . 1 1 92 92 ILE CA C 13 61.938 0.300 . 1 . . . . 92 ILE CA . 10079 1 1035 . 1 1 92 92 ILE CB C 13 35.018 0.300 . 1 . . . . 92 ILE CB . 10079 1 1036 . 1 1 92 92 ILE CG1 C 13 28.144 0.300 . 1 . . . . 92 ILE CG1 . 10079 1 1037 . 1 1 92 92 ILE CG2 C 13 18.174 0.300 . 1 . . . . 92 ILE CG2 . 10079 1 1038 . 1 1 92 92 ILE CD1 C 13 9.040 0.300 . 1 . . . . 92 ILE CD1 . 10079 1 1039 . 1 1 92 92 ILE N N 15 119.123 0.300 . 1 . . . . 92 ILE N . 10079 1 1040 . 1 1 93 93 VAL H H 1 8.500 0.030 . 1 . . . . 93 VAL H . 10079 1 1041 . 1 1 93 93 VAL HA H 1 3.371 0.030 . 1 . . . . 93 VAL HA . 10079 1 1042 . 1 1 93 93 VAL HB H 1 2.196 0.030 . 1 . . . . 93 VAL HB . 10079 1 1043 . 1 1 93 93 VAL HG11 H 1 0.938 0.030 . 1 . . . . 93 VAL HG1 . 10079 1 1044 . 1 1 93 93 VAL HG12 H 1 0.938 0.030 . 1 . . . . 93 VAL HG1 . 10079 1 1045 . 1 1 93 93 VAL HG13 H 1 0.938 0.030 . 1 . . . . 93 VAL HG1 . 10079 1 1046 . 1 1 93 93 VAL HG21 H 1 1.020 0.030 . 1 . . . . 93 VAL HG2 . 10079 1 1047 . 1 1 93 93 VAL HG22 H 1 1.020 0.030 . 1 . . . . 93 VAL HG2 . 10079 1 1048 . 1 1 93 93 VAL HG23 H 1 1.020 0.030 . 1 . . . . 93 VAL HG2 . 10079 1 1049 . 1 1 93 93 VAL C C 13 178.157 0.300 . 1 . . . . 93 VAL C . 10079 1 1050 . 1 1 93 93 VAL CA C 13 67.040 0.300 . 1 . . . . 93 VAL CA . 10079 1 1051 . 1 1 93 93 VAL CB C 13 31.656 0.300 . 1 . . . . 93 VAL CB . 10079 1 1052 . 1 1 93 93 VAL CG1 C 13 21.014 0.300 . 2 . . . . 93 VAL CG1 . 10079 1 1053 . 1 1 93 93 VAL CG2 C 13 22.796 0.300 . 2 . . . . 93 VAL CG2 . 10079 1 1054 . 1 1 93 93 VAL N N 15 119.421 0.300 . 1 . . . . 93 VAL N . 10079 1 1055 . 1 1 94 94 GLN H H 1 7.824 0.030 . 1 . . . . 94 GLN H . 10079 1 1056 . 1 1 94 94 GLN HA H 1 3.978 0.030 . 1 . . . . 94 GLN HA . 10079 1 1057 . 1 1 94 94 GLN HB2 H 1 2.162 0.030 . 2 . . . . 94 GLN HB2 . 10079 1 1058 . 1 1 94 94 GLN HB3 H 1 2.028 0.030 . 2 . . . . 94 GLN HB3 . 10079 1 1059 . 1 1 94 94 GLN HG2 H 1 2.533 0.030 . 2 . . . . 94 GLN HG2 . 10079 1 1060 . 1 1 94 94 GLN HG3 H 1 2.324 0.030 . 2 . . . . 94 GLN HG3 . 10079 1 1061 . 1 1 94 94 GLN HE21 H 1 7.150 0.030 . 2 . . . . 94 GLN HE21 . 10079 1 1062 . 1 1 94 94 GLN HE22 H 1 6.796 0.030 . 2 . . . . 94 GLN HE22 . 10079 1 1063 . 1 1 94 94 GLN C C 13 178.216 0.300 . 1 . . . . 94 GLN C . 10079 1 1064 . 1 1 94 94 GLN CA C 13 58.767 0.300 . 1 . . . . 94 GLN CA . 10079 1 1065 . 1 1 94 94 GLN CB C 13 28.199 0.300 . 1 . . . . 94 GLN CB . 10079 1 1066 . 1 1 94 94 GLN CG C 13 34.007 0.300 . 1 . . . . 94 GLN CG . 10079 1 1067 . 1 1 94 94 GLN N N 15 116.884 0.300 . 1 . . . . 94 GLN N . 10079 1 1068 . 1 1 94 94 GLN NE2 N 15 111.292 0.300 . 1 . . . . 94 GLN NE2 . 10079 1 1069 . 1 1 95 95 LEU H H 1 7.766 0.030 . 1 . . . . 95 LEU H . 10079 1 1070 . 1 1 95 95 LEU HA H 1 3.642 0.030 . 1 . . . . 95 LEU HA . 10079 1 1071 . 1 1 95 95 LEU HB2 H 1 1.561 0.030 . 2 . . . . 95 LEU HB2 . 10079 1 1072 . 1 1 95 95 LEU HB3 H 1 1.422 0.030 . 2 . . . . 95 LEU HB3 . 10079 1 1073 . 1 1 95 95 LEU HG H 1 1.141 0.030 . 1 . . . . 95 LEU HG . 10079 1 1074 . 1 1 95 95 LEU HD11 H 1 0.111 0.030 . 1 . . . . 95 LEU HD1 . 10079 1 1075 . 1 1 95 95 LEU HD12 H 1 0.111 0.030 . 1 . . . . 95 LEU HD1 . 10079 1 1076 . 1 1 95 95 LEU HD13 H 1 0.111 0.030 . 1 . . . . 95 LEU HD1 . 10079 1 1077 . 1 1 95 95 LEU HD21 H 1 0.144 0.030 . 1 . . . . 95 LEU HD2 . 10079 1 1078 . 1 1 95 95 LEU HD22 H 1 0.144 0.030 . 1 . . . . 95 LEU HD2 . 10079 1 1079 . 1 1 95 95 LEU HD23 H 1 0.144 0.030 . 1 . . . . 95 LEU HD2 . 10079 1 1080 . 1 1 95 95 LEU C C 13 178.778 0.300 . 1 . . . . 95 LEU C . 10079 1 1081 . 1 1 95 95 LEU CA C 13 58.402 0.300 . 1 . . . . 95 LEU CA . 10079 1 1082 . 1 1 95 95 LEU CB C 13 42.573 0.300 . 1 . . . . 95 LEU CB . 10079 1 1083 . 1 1 95 95 LEU CG C 13 26.204 0.300 . 1 . . . . 95 LEU CG . 10079 1 1084 . 1 1 95 95 LEU CD1 C 13 24.188 0.300 . 2 . . . . 95 LEU CD1 . 10079 1 1085 . 1 1 95 95 LEU CD2 C 13 25.802 0.300 . 2 . . . . 95 LEU CD2 . 10079 1 1086 . 1 1 95 95 LEU N N 15 120.615 0.300 . 1 . . . . 95 LEU N . 10079 1 1087 . 1 1 96 96 VAL H H 1 8.219 0.030 . 1 . . . . 96 VAL H . 10079 1 1088 . 1 1 96 96 VAL HA H 1 3.383 0.030 . 1 . . . . 96 VAL HA . 10079 1 1089 . 1 1 96 96 VAL HB H 1 2.161 0.030 . 1 . . . . 96 VAL HB . 10079 1 1090 . 1 1 96 96 VAL HG11 H 1 1.012 0.030 . 1 . . . . 96 VAL HG1 . 10079 1 1091 . 1 1 96 96 VAL HG12 H 1 1.012 0.030 . 1 . . . . 96 VAL HG1 . 10079 1 1092 . 1 1 96 96 VAL HG13 H 1 1.012 0.030 . 1 . . . . 96 VAL HG1 . 10079 1 1093 . 1 1 96 96 VAL HG21 H 1 0.940 0.030 . 1 . . . . 96 VAL HG2 . 10079 1 1094 . 1 1 96 96 VAL HG22 H 1 0.940 0.030 . 1 . . . . 96 VAL HG2 . 10079 1 1095 . 1 1 96 96 VAL HG23 H 1 0.940 0.030 . 1 . . . . 96 VAL HG2 . 10079 1 1096 . 1 1 96 96 VAL C C 13 177.685 0.300 . 1 . . . . 96 VAL C . 10079 1 1097 . 1 1 96 96 VAL CA C 13 67.794 0.300 . 1 . . . . 96 VAL CA . 10079 1 1098 . 1 1 96 96 VAL CB C 13 31.533 0.300 . 1 . . . . 96 VAL CB . 10079 1 1099 . 1 1 96 96 VAL CG1 C 13 23.686 0.300 . 2 . . . . 96 VAL CG1 . 10079 1 1100 . 1 1 96 96 VAL CG2 C 13 22.394 0.300 . 2 . . . . 96 VAL CG2 . 10079 1 1101 . 1 1 96 96 VAL N N 15 117.516 0.300 . 1 . . . . 96 VAL N . 10079 1 1102 . 1 1 97 97 ARG H H 1 8.355 0.030 . 1 . . . . 97 ARG H . 10079 1 1103 . 1 1 97 97 ARG HA H 1 3.906 0.030 . 1 . . . . 97 ARG HA . 10079 1 1104 . 1 1 97 97 ARG HB2 H 1 1.969 0.030 . 2 . . . . 97 ARG HB2 . 10079 1 1105 . 1 1 97 97 ARG HB3 H 1 1.854 0.030 . 2 . . . . 97 ARG HB3 . 10079 1 1106 . 1 1 97 97 ARG HG2 H 1 1.862 0.030 . 2 . . . . 97 ARG HG2 . 10079 1 1107 . 1 1 97 97 ARG HG3 H 1 1.617 0.030 . 2 . . . . 97 ARG HG3 . 10079 1 1108 . 1 1 97 97 ARG HD2 H 1 3.137 0.030 . 1 . . . . 97 ARG HD2 . 10079 1 1109 . 1 1 97 97 ARG HD3 H 1 3.137 0.030 . 1 . . . . 97 ARG HD3 . 10079 1 1110 . 1 1 97 97 ARG C C 13 179.312 0.300 . 1 . . . . 97 ARG C . 10079 1 1111 . 1 1 97 97 ARG CA C 13 59.964 0.300 . 1 . . . . 97 ARG CA . 10079 1 1112 . 1 1 97 97 ARG CB C 13 29.738 0.300 . 1 . . . . 97 ARG CB . 10079 1 1113 . 1 1 97 97 ARG CG C 13 27.879 0.300 . 1 . . . . 97 ARG CG . 10079 1 1114 . 1 1 97 97 ARG CD C 13 43.457 0.300 . 1 . . . . 97 ARG CD . 10079 1 1115 . 1 1 97 97 ARG N N 15 117.537 0.300 . 1 . . . . 97 ARG N . 10079 1 1116 . 1 1 98 98 LYS H H 1 8.224 0.030 . 1 . . . . 98 LYS H . 10079 1 1117 . 1 1 98 98 LYS HA H 1 4.006 0.030 . 1 . . . . 98 LYS HA . 10079 1 1118 . 1 1 98 98 LYS HB2 H 1 2.147 0.030 . 2 . . . . 98 LYS HB2 . 10079 1 1119 . 1 1 98 98 LYS HB3 H 1 2.046 0.030 . 2 . . . . 98 LYS HB3 . 10079 1 1120 . 1 1 98 98 LYS HG2 H 1 1.757 0.030 . 2 . . . . 98 LYS HG2 . 10079 1 1121 . 1 1 98 98 LYS HG3 H 1 1.598 0.030 . 2 . . . . 98 LYS HG3 . 10079 1 1122 . 1 1 98 98 LYS HD2 H 1 1.853 0.030 . 2 . . . . 98 LYS HD2 . 10079 1 1123 . 1 1 98 98 LYS HD3 H 1 1.582 0.030 . 2 . . . . 98 LYS HD3 . 10079 1 1124 . 1 1 98 98 LYS HE2 H 1 3.079 0.030 . 2 . . . . 98 LYS HE2 . 10079 1 1125 . 1 1 98 98 LYS HE3 H 1 3.011 0.030 . 2 . . . . 98 LYS HE3 . 10079 1 1126 . 1 1 98 98 LYS C C 13 179.147 0.300 . 1 . . . . 98 LYS C . 10079 1 1127 . 1 1 98 98 LYS CA C 13 59.771 0.300 . 1 . . . . 98 LYS CA . 10079 1 1128 . 1 1 98 98 LYS CB C 13 32.937 0.300 . 1 . . . . 98 LYS CB . 10079 1 1129 . 1 1 98 98 LYS CG C 13 26.323 0.300 . 1 . . . . 98 LYS CG . 10079 1 1130 . 1 1 98 98 LYS CD C 13 29.626 0.300 . 1 . . . . 98 LYS CD . 10079 1 1131 . 1 1 98 98 LYS CE C 13 42.326 0.300 . 1 . . . . 98 LYS CE . 10079 1 1132 . 1 1 98 98 LYS N N 15 117.437 0.300 . 1 . . . . 98 LYS N . 10079 1 1133 . 1 1 99 99 LEU H H 1 8.066 0.030 . 1 . . . . 99 LEU H . 10079 1 1134 . 1 1 99 99 LEU HA H 1 3.794 0.030 . 1 . . . . 99 LEU HA . 10079 1 1135 . 1 1 99 99 LEU HB2 H 1 1.657 0.030 . 2 . . . . 99 LEU HB2 . 10079 1 1136 . 1 1 99 99 LEU HB3 H 1 1.211 0.030 . 2 . . . . 99 LEU HB3 . 10079 1 1137 . 1 1 99 99 LEU HG H 1 1.288 0.030 . 1 . . . . 99 LEU HG . 10079 1 1138 . 1 1 99 99 LEU HD11 H 1 0.296 0.030 . 1 . . . . 99 LEU HD1 . 10079 1 1139 . 1 1 99 99 LEU HD12 H 1 0.296 0.030 . 1 . . . . 99 LEU HD1 . 10079 1 1140 . 1 1 99 99 LEU HD13 H 1 0.296 0.030 . 1 . . . . 99 LEU HD1 . 10079 1 1141 . 1 1 99 99 LEU HD21 H 1 0.598 0.030 . 1 . . . . 99 LEU HD2 . 10079 1 1142 . 1 1 99 99 LEU HD22 H 1 0.598 0.030 . 1 . . . . 99 LEU HD2 . 10079 1 1143 . 1 1 99 99 LEU HD23 H 1 0.598 0.030 . 1 . . . . 99 LEU HD2 . 10079 1 1144 . 1 1 99 99 LEU C C 13 178.291 0.300 . 1 . . . . 99 LEU C . 10079 1 1145 . 1 1 99 99 LEU CA C 13 57.348 0.300 . 1 . . . . 99 LEU CA . 10079 1 1146 . 1 1 99 99 LEU CB C 13 40.923 0.300 . 1 . . . . 99 LEU CB . 10079 1 1147 . 1 1 99 99 LEU CG C 13 26.530 0.300 . 1 . . . . 99 LEU CG . 10079 1 1148 . 1 1 99 99 LEU CD1 C 13 23.234 0.300 . 2 . . . . 99 LEU CD1 . 10079 1 1149 . 1 1 99 99 LEU CD2 C 13 26.585 0.300 . 2 . . . . 99 LEU CD2 . 10079 1 1150 . 1 1 99 99 LEU N N 15 121.126 0.300 . 1 . . . . 99 LEU N . 10079 1 1151 . 1 1 100 100 LEU H H 1 8.566 0.030 . 1 . . . . 100 LEU H . 10079 1 1152 . 1 1 100 100 LEU HA H 1 3.911 0.030 . 1 . . . . 100 LEU HA . 10079 1 1153 . 1 1 100 100 LEU HB2 H 1 1.962 0.030 . 2 . . . . 100 LEU HB2 . 10079 1 1154 . 1 1 100 100 LEU HB3 H 1 1.409 0.030 . 2 . . . . 100 LEU HB3 . 10079 1 1155 . 1 1 100 100 LEU HG H 1 1.775 0.030 . 1 . . . . 100 LEU HG . 10079 1 1156 . 1 1 100 100 LEU HD11 H 1 0.828 0.030 . 1 . . . . 100 LEU HD1 . 10079 1 1157 . 1 1 100 100 LEU HD12 H 1 0.828 0.030 . 1 . . . . 100 LEU HD1 . 10079 1 1158 . 1 1 100 100 LEU HD13 H 1 0.828 0.030 . 1 . . . . 100 LEU HD1 . 10079 1 1159 . 1 1 100 100 LEU HD21 H 1 0.888 0.030 . 1 . . . . 100 LEU HD2 . 10079 1 1160 . 1 1 100 100 LEU HD22 H 1 0.888 0.030 . 1 . . . . 100 LEU HD2 . 10079 1 1161 . 1 1 100 100 LEU HD23 H 1 0.888 0.030 . 1 . . . . 100 LEU HD2 . 10079 1 1162 . 1 1 100 100 LEU C C 13 180.108 0.300 . 1 . . . . 100 LEU C . 10079 1 1163 . 1 1 100 100 LEU CA C 13 57.850 0.300 . 1 . . . . 100 LEU CA . 10079 1 1164 . 1 1 100 100 LEU CB C 13 41.382 0.300 . 1 . . . . 100 LEU CB . 10079 1 1165 . 1 1 100 100 LEU CG C 13 27.076 0.300 . 1 . . . . 100 LEU CG . 10079 1 1166 . 1 1 100 100 LEU CD1 C 13 26.136 0.300 . 2 . . . . 100 LEU CD1 . 10079 1 1167 . 1 1 100 100 LEU CD2 C 13 24.000 0.300 . 2 . . . . 100 LEU CD2 . 10079 1 1168 . 1 1 100 100 LEU N N 15 118.002 0.300 . 1 . . . . 100 LEU N . 10079 1 1169 . 1 1 101 101 ILE H H 1 7.695 0.030 . 1 . . . . 101 ILE H . 10079 1 1170 . 1 1 101 101 ILE HA H 1 3.704 0.030 . 1 . . . . 101 ILE HA . 10079 1 1171 . 1 1 101 101 ILE HB H 1 2.002 0.030 . 1 . . . . 101 ILE HB . 10079 1 1172 . 1 1 101 101 ILE HG12 H 1 1.755 0.030 . 2 . . . . 101 ILE HG12 . 10079 1 1173 . 1 1 101 101 ILE HG13 H 1 1.167 0.030 . 2 . . . . 101 ILE HG13 . 10079 1 1174 . 1 1 101 101 ILE HG21 H 1 0.913 0.030 . 1 . . . . 101 ILE HG2 . 10079 1 1175 . 1 1 101 101 ILE HG22 H 1 0.913 0.030 . 1 . . . . 101 ILE HG2 . 10079 1 1176 . 1 1 101 101 ILE HG23 H 1 0.913 0.030 . 1 . . . . 101 ILE HG2 . 10079 1 1177 . 1 1 101 101 ILE HD11 H 1 0.864 0.030 . 1 . . . . 101 ILE HD1 . 10079 1 1178 . 1 1 101 101 ILE HD12 H 1 0.864 0.030 . 1 . . . . 101 ILE HD1 . 10079 1 1179 . 1 1 101 101 ILE HD13 H 1 0.864 0.030 . 1 . . . . 101 ILE HD1 . 10079 1 1180 . 1 1 101 101 ILE C C 13 179.147 0.300 . 1 . . . . 101 ILE C . 10079 1 1181 . 1 1 101 101 ILE CA C 13 64.884 0.300 . 1 . . . . 101 ILE CA . 10079 1 1182 . 1 1 101 101 ILE CB C 13 38.027 0.300 . 1 . . . . 101 ILE CB . 10079 1 1183 . 1 1 101 101 ILE CG1 C 13 29.615 0.300 . 1 . . . . 101 ILE CG1 . 10079 1 1184 . 1 1 101 101 ILE CG2 C 13 17.350 0.300 . 1 . . . . 101 ILE CG2 . 10079 1 1185 . 1 1 101 101 ILE CD1 C 13 13.302 0.300 . 1 . . . . 101 ILE CD1 . 10079 1 1186 . 1 1 101 101 ILE N N 15 119.272 0.300 . 1 . . . . 101 ILE N . 10079 1 1187 . 1 1 102 102 ILE H H 1 7.598 0.030 . 1 . . . . 102 ILE H . 10079 1 1188 . 1 1 102 102 ILE HA H 1 3.581 0.030 . 1 . . . . 102 ILE HA . 10079 1 1189 . 1 1 102 102 ILE HB H 1 2.044 0.030 . 1 . . . . 102 ILE HB . 10079 1 1190 . 1 1 102 102 ILE HG12 H 1 2.065 0.030 . 2 . . . . 102 ILE HG12 . 10079 1 1191 . 1 1 102 102 ILE HG13 H 1 0.900 0.030 . 2 . . . . 102 ILE HG13 . 10079 1 1192 . 1 1 102 102 ILE HG21 H 1 0.827 0.030 . 1 . . . . 102 ILE HG2 . 10079 1 1193 . 1 1 102 102 ILE HG22 H 1 0.827 0.030 . 1 . . . . 102 ILE HG2 . 10079 1 1194 . 1 1 102 102 ILE HG23 H 1 0.827 0.030 . 1 . . . . 102 ILE HG2 . 10079 1 1195 . 1 1 102 102 ILE HD11 H 1 0.782 0.030 . 1 . . . . 102 ILE HD1 . 10079 1 1196 . 1 1 102 102 ILE HD12 H 1 0.782 0.030 . 1 . . . . 102 ILE HD1 . 10079 1 1197 . 1 1 102 102 ILE HD13 H 1 0.782 0.030 . 1 . . . . 102 ILE HD1 . 10079 1 1198 . 1 1 102 102 ILE C C 13 177.852 0.300 . 1 . . . . 102 ILE C . 10079 1 1199 . 1 1 102 102 ILE CA C 13 66.052 0.300 . 1 . . . . 102 ILE CA . 10079 1 1200 . 1 1 102 102 ILE CB C 13 38.185 0.300 . 1 . . . . 102 ILE CB . 10079 1 1201 . 1 1 102 102 ILE CG1 C 13 29.612 0.300 . 1 . . . . 102 ILE CG1 . 10079 1 1202 . 1 1 102 102 ILE CG2 C 13 18.009 0.300 . 1 . . . . 102 ILE CG2 . 10079 1 1203 . 1 1 102 102 ILE CD1 C 13 14.115 0.300 . 1 . . . . 102 ILE CD1 . 10079 1 1204 . 1 1 102 102 ILE N N 15 121.250 0.300 . 1 . . . . 102 ILE N . 10079 1 1205 . 1 1 103 103 ILE H H 1 7.502 0.030 . 1 . . . . 103 ILE H . 10079 1 1206 . 1 1 103 103 ILE HA H 1 4.214 0.030 . 1 . . . . 103 ILE HA . 10079 1 1207 . 1 1 103 103 ILE HB H 1 2.203 0.030 . 1 . . . . 103 ILE HB . 10079 1 1208 . 1 1 103 103 ILE HG12 H 1 1.506 0.030 . 2 . . . . 103 ILE HG12 . 10079 1 1209 . 1 1 103 103 ILE HG13 H 1 1.333 0.030 . 2 . . . . 103 ILE HG13 . 10079 1 1210 . 1 1 103 103 ILE HG21 H 1 1.076 0.030 . 1 . . . . 103 ILE HG2 . 10079 1 1211 . 1 1 103 103 ILE HG22 H 1 1.076 0.030 . 1 . . . . 103 ILE HG2 . 10079 1 1212 . 1 1 103 103 ILE HG23 H 1 1.076 0.030 . 1 . . . . 103 ILE HG2 . 10079 1 1213 . 1 1 103 103 ILE HD11 H 1 0.948 0.030 . 1 . . . . 103 ILE HD1 . 10079 1 1214 . 1 1 103 103 ILE HD12 H 1 0.948 0.030 . 1 . . . . 103 ILE HD1 . 10079 1 1215 . 1 1 103 103 ILE HD13 H 1 0.948 0.030 . 1 . . . . 103 ILE HD1 . 10079 1 1216 . 1 1 103 103 ILE C C 13 175.292 0.300 . 1 . . . . 103 ILE C . 10079 1 1217 . 1 1 103 103 ILE CA C 13 62.362 0.300 . 1 . . . . 103 ILE CA . 10079 1 1218 . 1 1 103 103 ILE CB C 13 38.103 0.300 . 1 . . . . 103 ILE CB . 10079 1 1219 . 1 1 103 103 ILE CG1 C 13 26.180 0.300 . 1 . . . . 103 ILE CG1 . 10079 1 1220 . 1 1 103 103 ILE CG2 C 13 18.051 0.300 . 1 . . . . 103 ILE CG2 . 10079 1 1221 . 1 1 103 103 ILE CD1 C 13 14.719 0.300 . 1 . . . . 103 ILE CD1 . 10079 1 1222 . 1 1 103 103 ILE N N 15 108.507 0.300 . 1 . . . . 103 ILE N . 10079 1 1223 . 1 1 104 104 SER H H 1 7.446 0.030 . 1 . . . . 104 SER H . 10079 1 1224 . 1 1 104 104 SER HA H 1 4.233 0.030 . 1 . . . . 104 SER HA . 10079 1 1225 . 1 1 104 104 SER HB2 H 1 3.953 0.030 . 2 . . . . 104 SER HB2 . 10079 1 1226 . 1 1 104 104 SER HB3 H 1 3.893 0.030 . 2 . . . . 104 SER HB3 . 10079 1 1227 . 1 1 104 104 SER C C 13 174.292 0.300 . 1 . . . . 104 SER C . 10079 1 1228 . 1 1 104 104 SER CA C 13 59.331 0.300 . 1 . . . . 104 SER CA . 10079 1 1229 . 1 1 104 104 SER CB C 13 63.594 0.300 . 1 . . . . 104 SER CB . 10079 1 1230 . 1 1 104 104 SER N N 15 116.202 0.300 . 1 . . . . 104 SER N . 10079 1 1231 . 1 1 105 105 ARG H H 1 8.094 0.030 . 1 . . . . 105 ARG H . 10079 1 1232 . 1 1 105 105 ARG HA H 1 4.518 0.030 . 1 . . . . 105 ARG HA . 10079 1 1233 . 1 1 105 105 ARG HB2 H 1 1.829 0.030 . 2 . . . . 105 ARG HB2 . 10079 1 1234 . 1 1 105 105 ARG HB3 H 1 1.700 0.030 . 2 . . . . 105 ARG HB3 . 10079 1 1235 . 1 1 105 105 ARG HD2 H 1 3.124 0.030 . 1 . . . . 105 ARG HD2 . 10079 1 1236 . 1 1 105 105 ARG HD3 H 1 3.124 0.030 . 1 . . . . 105 ARG HD3 . 10079 1 1237 . 1 1 105 105 ARG C C 13 174.019 0.300 . 1 . . . . 105 ARG C . 10079 1 1238 . 1 1 105 105 ARG CA C 13 54.520 0.300 . 1 . . . . 105 ARG CA . 10079 1 1239 . 1 1 105 105 ARG CB C 13 29.634 0.300 . 1 . . . . 105 ARG CB . 10079 1 1240 . 1 1 105 105 ARG CD C 13 43.272 0.300 . 1 . . . . 105 ARG CD . 10079 1 1241 . 1 1 105 105 ARG N N 15 122.099 0.300 . 1 . . . . 105 ARG N . 10079 1 1242 . 1 1 106 106 PRO HA H 1 4.329 0.030 . 1 . . . . 106 PRO HA . 10079 1 1243 . 1 1 106 106 PRO HB2 H 1 2.184 0.030 . 2 . . . . 106 PRO HB2 . 10079 1 1244 . 1 1 106 106 PRO HB3 H 1 1.806 0.030 . 2 . . . . 106 PRO HB3 . 10079 1 1245 . 1 1 106 106 PRO HG2 H 1 1.943 0.030 . 2 . . . . 106 PRO HG2 . 10079 1 1246 . 1 1 106 106 PRO HG3 H 1 1.886 0.030 . 2 . . . . 106 PRO HG3 . 10079 1 1247 . 1 1 106 106 PRO HD2 H 1 3.655 0.030 . 2 . . . . 106 PRO HD2 . 10079 1 1248 . 1 1 106 106 PRO HD3 H 1 3.540 0.030 . 2 . . . . 106 PRO HD3 . 10079 1 1249 . 1 1 106 106 PRO C C 13 176.796 0.300 . 1 . . . . 106 PRO C . 10079 1 1250 . 1 1 106 106 PRO CA C 13 63.401 0.300 . 1 . . . . 106 PRO CA . 10079 1 1251 . 1 1 106 106 PRO CB C 13 31.913 0.300 . 1 . . . . 106 PRO CB . 10079 1 1252 . 1 1 106 106 PRO CG C 13 27.484 0.300 . 1 . . . . 106 PRO CG . 10079 1 1253 . 1 1 106 106 PRO CD C 13 50.368 0.300 . 1 . . . . 106 PRO CD . 10079 1 1254 . 1 1 107 107 ALA H H 1 8.233 0.030 . 1 . . . . 107 ALA H . 10079 1 1255 . 1 1 107 107 ALA HA H 1 4.283 0.030 . 1 . . . . 107 ALA HA . 10079 1 1256 . 1 1 107 107 ALA HB1 H 1 1.384 0.030 . 1 . . . . 107 ALA HB . 10079 1 1257 . 1 1 107 107 ALA HB2 H 1 1.384 0.030 . 1 . . . . 107 ALA HB . 10079 1 1258 . 1 1 107 107 ALA HB3 H 1 1.384 0.030 . 1 . . . . 107 ALA HB . 10079 1 1259 . 1 1 107 107 ALA C C 13 177.876 0.300 . 1 . . . . 107 ALA C . 10079 1 1260 . 1 1 107 107 ALA CA C 13 52.581 0.300 . 1 . . . . 107 ALA CA . 10079 1 1261 . 1 1 107 107 ALA CB C 13 19.306 0.300 . 1 . . . . 107 ALA CB . 10079 1 1262 . 1 1 107 107 ALA N N 15 123.450 0.300 . 1 . . . . 107 ALA N . 10079 1 1263 . 1 1 108 108 ARG H H 1 8.281 0.030 . 1 . . . . 108 ARG H . 10079 1 1264 . 1 1 108 108 ARG C C 13 176.252 0.300 . 1 . . . . 108 ARG C . 10079 1 1265 . 1 1 108 108 ARG CA C 13 56.070 0.300 . 1 . . . . 108 ARG CA . 10079 1 1266 . 1 1 108 108 ARG CB C 13 31.039 0.300 . 1 . . . . 108 ARG CB . 10079 1 1267 . 1 1 108 108 ARG N N 15 119.869 0.300 . 1 . . . . 108 ARG N . 10079 1 stop_ save_