data_11120 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11120 _Entry.Title ; The solution structure of the third fibronectin type III domain of human Neogenin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 11120 2 A. Sasagawa . . . 11120 3 S. Koshiba . . . 11120 4 M. Inoue . . . 11120 5 T. Kigawa . . . 11120 6 S. Yokoyama . . . 11120 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11120 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11120 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 531 11120 '15N chemical shifts' 130 11120 '1H chemical shifts' 835 11120 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-04-01 2010-03-31 original author . 11120 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5H 'BMRB Entry Tracking System' 11120 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11120 _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 ; The solution structure of the third fibronectin type III domain of human Neogenin ; _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 . . . 11120 1 2 A. Sasagawa . . . 11120 1 3 S. Koshiba . . . 11120 1 4 M. Inoue . . . 11120 1 5 T. Kigawa . . . 11120 1 6 S. Yokoyama . . . 11120 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11120 _Assembly.ID 1 _Assembly.Name Neogenin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'fn3 domain' 1 $entity_1 A . yes native no no . . . 11120 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1x5h . . . . . . 11120 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11120 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fn3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGDVAVRTLSDVPSA APQNLSLEVRNSKSIMIHWQ PPAPATQNGQITGYKIRYRK ASRKSDVTETLVSGTQLSQL IEGLDRGTEYNFRVAALTIN GTGPATDWLSAETFESDLDE TRVPEVSGPSSG ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 1X5H . "The Solution Structure Of The Third Fibronectin Type Iii Domain Of Human Neogenin" . . . . . 100.00 132 100.00 100.00 3.16e-89 . . . . 11120 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fn3 domain' . 11120 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 . 11120 1 2 . SER . 11120 1 3 . SER . 11120 1 4 . GLY . 11120 1 5 . SER . 11120 1 6 . SER . 11120 1 7 . GLY . 11120 1 8 . ASP . 11120 1 9 . VAL . 11120 1 10 . ALA . 11120 1 11 . VAL . 11120 1 12 . ARG . 11120 1 13 . THR . 11120 1 14 . LEU . 11120 1 15 . SER . 11120 1 16 . ASP . 11120 1 17 . VAL . 11120 1 18 . PRO . 11120 1 19 . SER . 11120 1 20 . ALA . 11120 1 21 . ALA . 11120 1 22 . PRO . 11120 1 23 . GLN . 11120 1 24 . ASN . 11120 1 25 . LEU . 11120 1 26 . SER . 11120 1 27 . LEU . 11120 1 28 . GLU . 11120 1 29 . VAL . 11120 1 30 . ARG . 11120 1 31 . ASN . 11120 1 32 . SER . 11120 1 33 . LYS . 11120 1 34 . SER . 11120 1 35 . ILE . 11120 1 36 . MET . 11120 1 37 . ILE . 11120 1 38 . HIS . 11120 1 39 . TRP . 11120 1 40 . GLN . 11120 1 41 . PRO . 11120 1 42 . PRO . 11120 1 43 . ALA . 11120 1 44 . PRO . 11120 1 45 . ALA . 11120 1 46 . THR . 11120 1 47 . GLN . 11120 1 48 . ASN . 11120 1 49 . GLY . 11120 1 50 . GLN . 11120 1 51 . ILE . 11120 1 52 . THR . 11120 1 53 . GLY . 11120 1 54 . TYR . 11120 1 55 . LYS . 11120 1 56 . ILE . 11120 1 57 . ARG . 11120 1 58 . TYR . 11120 1 59 . ARG . 11120 1 60 . LYS . 11120 1 61 . ALA . 11120 1 62 . SER . 11120 1 63 . ARG . 11120 1 64 . LYS . 11120 1 65 . SER . 11120 1 66 . ASP . 11120 1 67 . VAL . 11120 1 68 . THR . 11120 1 69 . GLU . 11120 1 70 . THR . 11120 1 71 . LEU . 11120 1 72 . VAL . 11120 1 73 . SER . 11120 1 74 . GLY . 11120 1 75 . THR . 11120 1 76 . GLN . 11120 1 77 . LEU . 11120 1 78 . SER . 11120 1 79 . GLN . 11120 1 80 . LEU . 11120 1 81 . ILE . 11120 1 82 . GLU . 11120 1 83 . GLY . 11120 1 84 . LEU . 11120 1 85 . ASP . 11120 1 86 . ARG . 11120 1 87 . GLY . 11120 1 88 . THR . 11120 1 89 . GLU . 11120 1 90 . TYR . 11120 1 91 . ASN . 11120 1 92 . PHE . 11120 1 93 . ARG . 11120 1 94 . VAL . 11120 1 95 . ALA . 11120 1 96 . ALA . 11120 1 97 . LEU . 11120 1 98 . THR . 11120 1 99 . ILE . 11120 1 100 . ASN . 11120 1 101 . GLY . 11120 1 102 . THR . 11120 1 103 . GLY . 11120 1 104 . PRO . 11120 1 105 . ALA . 11120 1 106 . THR . 11120 1 107 . ASP . 11120 1 108 . TRP . 11120 1 109 . LEU . 11120 1 110 . SER . 11120 1 111 . ALA . 11120 1 112 . GLU . 11120 1 113 . THR . 11120 1 114 . PHE . 11120 1 115 . GLU . 11120 1 116 . SER . 11120 1 117 . ASP . 11120 1 118 . LEU . 11120 1 119 . ASP . 11120 1 120 . GLU . 11120 1 121 . THR . 11120 1 122 . ARG . 11120 1 123 . VAL . 11120 1 124 . PRO . 11120 1 125 . GLU . 11120 1 126 . VAL . 11120 1 127 . SER . 11120 1 128 . GLY . 11120 1 129 . PRO . 11120 1 130 . SER . 11120 1 131 . SER . 11120 1 132 . GLY . 11120 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 11120 1 . SER 2 2 11120 1 . SER 3 3 11120 1 . GLY 4 4 11120 1 . SER 5 5 11120 1 . SER 6 6 11120 1 . GLY 7 7 11120 1 . ASP 8 8 11120 1 . VAL 9 9 11120 1 . ALA 10 10 11120 1 . VAL 11 11 11120 1 . ARG 12 12 11120 1 . THR 13 13 11120 1 . LEU 14 14 11120 1 . SER 15 15 11120 1 . ASP 16 16 11120 1 . VAL 17 17 11120 1 . PRO 18 18 11120 1 . SER 19 19 11120 1 . ALA 20 20 11120 1 . ALA 21 21 11120 1 . PRO 22 22 11120 1 . GLN 23 23 11120 1 . ASN 24 24 11120 1 . LEU 25 25 11120 1 . SER 26 26 11120 1 . LEU 27 27 11120 1 . GLU 28 28 11120 1 . VAL 29 29 11120 1 . ARG 30 30 11120 1 . ASN 31 31 11120 1 . SER 32 32 11120 1 . LYS 33 33 11120 1 . SER 34 34 11120 1 . ILE 35 35 11120 1 . MET 36 36 11120 1 . ILE 37 37 11120 1 . HIS 38 38 11120 1 . TRP 39 39 11120 1 . GLN 40 40 11120 1 . PRO 41 41 11120 1 . PRO 42 42 11120 1 . ALA 43 43 11120 1 . PRO 44 44 11120 1 . ALA 45 45 11120 1 . THR 46 46 11120 1 . GLN 47 47 11120 1 . ASN 48 48 11120 1 . GLY 49 49 11120 1 . GLN 50 50 11120 1 . ILE 51 51 11120 1 . THR 52 52 11120 1 . GLY 53 53 11120 1 . TYR 54 54 11120 1 . LYS 55 55 11120 1 . ILE 56 56 11120 1 . ARG 57 57 11120 1 . TYR 58 58 11120 1 . ARG 59 59 11120 1 . LYS 60 60 11120 1 . ALA 61 61 11120 1 . SER 62 62 11120 1 . ARG 63 63 11120 1 . LYS 64 64 11120 1 . SER 65 65 11120 1 . ASP 66 66 11120 1 . VAL 67 67 11120 1 . THR 68 68 11120 1 . GLU 69 69 11120 1 . THR 70 70 11120 1 . LEU 71 71 11120 1 . VAL 72 72 11120 1 . SER 73 73 11120 1 . GLY 74 74 11120 1 . THR 75 75 11120 1 . GLN 76 76 11120 1 . LEU 77 77 11120 1 . SER 78 78 11120 1 . GLN 79 79 11120 1 . LEU 80 80 11120 1 . ILE 81 81 11120 1 . GLU 82 82 11120 1 . GLY 83 83 11120 1 . LEU 84 84 11120 1 . ASP 85 85 11120 1 . ARG 86 86 11120 1 . GLY 87 87 11120 1 . THR 88 88 11120 1 . GLU 89 89 11120 1 . TYR 90 90 11120 1 . ASN 91 91 11120 1 . PHE 92 92 11120 1 . ARG 93 93 11120 1 . VAL 94 94 11120 1 . ALA 95 95 11120 1 . ALA 96 96 11120 1 . LEU 97 97 11120 1 . THR 98 98 11120 1 . ILE 99 99 11120 1 . ASN 100 100 11120 1 . GLY 101 101 11120 1 . THR 102 102 11120 1 . GLY 103 103 11120 1 . PRO 104 104 11120 1 . ALA 105 105 11120 1 . THR 106 106 11120 1 . ASP 107 107 11120 1 . TRP 108 108 11120 1 . LEU 109 109 11120 1 . SER 110 110 11120 1 . ALA 111 111 11120 1 . GLU 112 112 11120 1 . THR 113 113 11120 1 . PHE 114 114 11120 1 . GLU 115 115 11120 1 . SER 116 116 11120 1 . ASP 117 117 11120 1 . LEU 118 118 11120 1 . ASP 119 119 11120 1 . GLU 120 120 11120 1 . THR 121 121 11120 1 . ARG 122 122 11120 1 . VAL 123 123 11120 1 . PRO 124 124 11120 1 . GLU 125 125 11120 1 . VAL 126 126 11120 1 . SER 127 127 11120 1 . GLY 128 128 11120 1 . PRO 129 129 11120 1 . SER 130 130 11120 1 . SER 131 131 11120 1 . GLY 132 132 11120 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 11120 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11120 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 11120 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P041213-04 . . . . . . 11120 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11120 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.5mM FN3 domain {U-15N,13C;} 20mM {d-Tris HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FN3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.5 . . mM . . . . 11120 1 2 'd-Tris HCl' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11120 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11120 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11120 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11120 1 6 H2O . . . . . . solvent 90 . . % . . . . 11120 1 7 D2O . . . . . . solvent 10 . . % . . . . 11120 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 11120 _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 11120 1 pH 7.0 0.05 pH 11120 1 pressure 1 0.001 atm 11120 1 temperature 296 0.1 K 11120 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11120 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11120 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11120 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11120 _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.' . . 11120 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11120 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11120 _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.' . . 11120 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11120 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11120 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11120 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11120 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11120 _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.' . . 11120 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11120 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 11120 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11120 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 . . . 11120 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11120 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11120 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11120 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11120 _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 . . . . . . . . . 11120 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11120 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11120 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 11120 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11120 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11120 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11120 1 2 $NMRPipe . . 11120 1 3 $NMRView . . 11120 1 4 $KUJIRA . . 11120 1 5 $CYANA . . 11120 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 6 6 SER HA H 1 4.493 0.030 . 1 . . . . 6 SER HA . 11120 1 2 . 1 1 6 6 SER HB2 H 1 3.932 0.030 . 2 . . . . 6 SER HB2 . 11120 1 3 . 1 1 6 6 SER HB3 H 1 3.882 0.030 . 2 . . . . 6 SER HB3 . 11120 1 4 . 1 1 6 6 SER C C 13 175.086 0.300 . 1 . . . . 6 SER C . 11120 1 5 . 1 1 6 6 SER CA C 13 58.974 0.300 . 1 . . . . 6 SER CA . 11120 1 6 . 1 1 6 6 SER CB C 13 63.792 0.300 . 1 . . . . 6 SER CB . 11120 1 7 . 1 1 7 7 GLY H H 1 8.393 0.030 . 1 . . . . 7 GLY H . 11120 1 8 . 1 1 7 7 GLY HA2 H 1 3.958 0.030 . 2 . . . . 7 GLY HA2 . 11120 1 9 . 1 1 7 7 GLY C C 13 173.876 0.300 . 1 . . . . 7 GLY C . 11120 1 10 . 1 1 7 7 GLY CA C 13 45.318 0.300 . 1 . . . . 7 GLY CA . 11120 1 11 . 1 1 7 7 GLY N N 15 110.615 0.300 . 1 . . . . 7 GLY N . 11120 1 12 . 1 1 8 8 ASP H H 1 8.197 0.030 . 1 . . . . 8 ASP H . 11120 1 13 . 1 1 8 8 ASP HA H 1 4.611 0.030 . 1 . . . . 8 ASP HA . 11120 1 14 . 1 1 8 8 ASP HB2 H 1 2.698 0.030 . 2 . . . . 8 ASP HB2 . 11120 1 15 . 1 1 8 8 ASP HB3 H 1 2.599 0.030 . 2 . . . . 8 ASP HB3 . 11120 1 16 . 1 1 8 8 ASP C C 13 176.326 0.300 . 1 . . . . 8 ASP C . 11120 1 17 . 1 1 8 8 ASP CA C 13 54.504 0.300 . 1 . . . . 8 ASP CA . 11120 1 18 . 1 1 8 8 ASP CB C 13 41.254 0.300 . 1 . . . . 8 ASP CB . 11120 1 19 . 1 1 8 8 ASP N N 15 120.755 0.300 . 1 . . . . 8 ASP N . 11120 1 20 . 1 1 9 9 VAL H H 1 8.047 0.030 . 1 . . . . 9 VAL H . 11120 1 21 . 1 1 9 9 VAL HA H 1 4.069 0.030 . 1 . . . . 9 VAL HA . 11120 1 22 . 1 1 9 9 VAL HB H 1 2.085 0.030 . 1 . . . . 9 VAL HB . 11120 1 23 . 1 1 9 9 VAL HG11 H 1 0.917 0.030 . 1 . . . . 9 VAL HG1 . 11120 1 24 . 1 1 9 9 VAL HG12 H 1 0.917 0.030 . 1 . . . . 9 VAL HG1 . 11120 1 25 . 1 1 9 9 VAL HG13 H 1 0.917 0.030 . 1 . . . . 9 VAL HG1 . 11120 1 26 . 1 1 9 9 VAL HG21 H 1 0.928 0.030 . 1 . . . . 9 VAL HG2 . 11120 1 27 . 1 1 9 9 VAL HG22 H 1 0.928 0.030 . 1 . . . . 9 VAL HG2 . 11120 1 28 . 1 1 9 9 VAL HG23 H 1 0.928 0.030 . 1 . . . . 9 VAL HG2 . 11120 1 29 . 1 1 9 9 VAL C C 13 175.918 0.300 . 1 . . . . 9 VAL C . 11120 1 30 . 1 1 9 9 VAL CA C 13 62.303 0.300 . 1 . . . . 9 VAL CA . 11120 1 31 . 1 1 9 9 VAL CB C 13 32.697 0.300 . 1 . . . . 9 VAL CB . 11120 1 32 . 1 1 9 9 VAL CG1 C 13 21.130 0.300 . 2 . . . . 9 VAL CG1 . 11120 1 33 . 1 1 9 9 VAL CG2 C 13 20.710 0.300 . 2 . . . . 9 VAL CG2 . 11120 1 34 . 1 1 9 9 VAL N N 15 120.091 0.300 . 1 . . . . 9 VAL N . 11120 1 35 . 1 1 10 10 ALA H H 1 8.328 0.030 . 1 . . . . 10 ALA H . 11120 1 36 . 1 1 10 10 ALA HA H 1 4.316 0.030 . 1 . . . . 10 ALA HA . 11120 1 37 . 1 1 10 10 ALA HB1 H 1 1.353 0.030 . 1 . . . . 10 ALA HB . 11120 1 38 . 1 1 10 10 ALA HB2 H 1 1.353 0.030 . 1 . . . . 10 ALA HB . 11120 1 39 . 1 1 10 10 ALA HB3 H 1 1.353 0.030 . 1 . . . . 10 ALA HB . 11120 1 40 . 1 1 10 10 ALA C C 13 177.682 0.300 . 1 . . . . 10 ALA C . 11120 1 41 . 1 1 10 10 ALA CA C 13 52.530 0.300 . 1 . . . . 10 ALA CA . 11120 1 42 . 1 1 10 10 ALA CB C 13 19.210 0.300 . 1 . . . . 10 ALA CB . 11120 1 43 . 1 1 10 10 ALA N N 15 127.493 0.300 . 1 . . . . 10 ALA N . 11120 1 44 . 1 1 11 11 VAL H H 1 8.078 0.030 . 1 . . . . 11 VAL H . 11120 1 45 . 1 1 11 11 VAL HA H 1 4.056 0.030 . 1 . . . . 11 VAL HA . 11120 1 46 . 1 1 11 11 VAL HB H 1 2.041 0.030 . 1 . . . . 11 VAL HB . 11120 1 47 . 1 1 11 11 VAL HG11 H 1 0.921 0.030 . 1 . . . . 11 VAL HG1 . 11120 1 48 . 1 1 11 11 VAL HG12 H 1 0.921 0.030 . 1 . . . . 11 VAL HG1 . 11120 1 49 . 1 1 11 11 VAL HG13 H 1 0.921 0.030 . 1 . . . . 11 VAL HG1 . 11120 1 50 . 1 1 11 11 VAL HG21 H 1 0.935 0.030 . 1 . . . . 11 VAL HG2 . 11120 1 51 . 1 1 11 11 VAL HG22 H 1 0.935 0.030 . 1 . . . . 11 VAL HG2 . 11120 1 52 . 1 1 11 11 VAL HG23 H 1 0.935 0.030 . 1 . . . . 11 VAL HG2 . 11120 1 53 . 1 1 11 11 VAL C C 13 176.162 0.300 . 1 . . . . 11 VAL C . 11120 1 54 . 1 1 11 11 VAL CA C 13 62.381 0.300 . 1 . . . . 11 VAL CA . 11120 1 55 . 1 1 11 11 VAL CB C 13 32.714 0.300 . 1 . . . . 11 VAL CB . 11120 1 56 . 1 1 11 11 VAL CG1 C 13 21.117 0.300 . 2 . . . . 11 VAL CG1 . 11120 1 57 . 1 1 11 11 VAL CG2 C 13 20.470 0.300 . 2 . . . . 11 VAL CG2 . 11120 1 58 . 1 1 11 11 VAL N N 15 119.851 0.300 . 1 . . . . 11 VAL N . 11120 1 59 . 1 1 12 12 ARG H H 1 8.403 0.030 . 1 . . . . 12 ARG H . 11120 1 60 . 1 1 12 12 ARG HA H 1 4.426 0.030 . 1 . . . . 12 ARG HA . 11120 1 61 . 1 1 12 12 ARG HB2 H 1 1.838 0.030 . 2 . . . . 12 ARG HB2 . 11120 1 62 . 1 1 12 12 ARG HB3 H 1 1.754 0.030 . 2 . . . . 12 ARG HB3 . 11120 1 63 . 1 1 12 12 ARG HD2 H 1 3.175 0.030 . 2 . . . . 12 ARG HD2 . 11120 1 64 . 1 1 12 12 ARG HG2 H 1 1.647 0.030 . 2 . . . . 12 ARG HG2 . 11120 1 65 . 1 1 12 12 ARG HG3 H 1 1.589 0.030 . 2 . . . . 12 ARG HG3 . 11120 1 66 . 1 1 12 12 ARG C C 13 176.247 0.300 . 1 . . . . 12 ARG C . 11120 1 67 . 1 1 12 12 ARG CA C 13 55.940 0.300 . 1 . . . . 12 ARG CA . 11120 1 68 . 1 1 12 12 ARG CB C 13 31.015 0.300 . 1 . . . . 12 ARG CB . 11120 1 69 . 1 1 12 12 ARG CD C 13 43.290 0.300 . 1 . . . . 12 ARG CD . 11120 1 70 . 1 1 12 12 ARG CG C 13 27.061 0.300 . 1 . . . . 12 ARG CG . 11120 1 71 . 1 1 12 12 ARG N N 15 125.241 0.300 . 1 . . . . 12 ARG N . 11120 1 72 . 1 1 13 13 THR H H 1 8.275 0.030 . 1 . . . . 13 THR H . 11120 1 73 . 1 1 13 13 THR HA H 1 4.322 0.030 . 1 . . . . 13 THR HA . 11120 1 74 . 1 1 13 13 THR HB H 1 4.172 0.030 . 1 . . . . 13 THR HB . 11120 1 75 . 1 1 13 13 THR HG21 H 1 0.921 0.030 . 1 . . . . 13 THR HG2 . 11120 1 76 . 1 1 13 13 THR HG22 H 1 0.921 0.030 . 1 . . . . 13 THR HG2 . 11120 1 77 . 1 1 13 13 THR HG23 H 1 0.921 0.030 . 1 . . . . 13 THR HG2 . 11120 1 78 . 1 1 13 13 THR C C 13 174.442 0.300 . 1 . . . . 13 THR C . 11120 1 79 . 1 1 13 13 THR CA C 13 61.825 0.300 . 1 . . . . 13 THR CA . 11120 1 80 . 1 1 13 13 THR CB C 13 69.981 0.300 . 1 . . . . 13 THR CB . 11120 1 81 . 1 1 13 13 THR CG2 C 13 21.624 0.300 . 1 . . . . 13 THR CG2 . 11120 1 82 . 1 1 13 13 THR N N 15 116.479 0.300 . 1 . . . . 13 THR N . 11120 1 83 . 1 1 14 14 LEU H H 1 8.332 0.030 . 1 . . . . 14 LEU H . 11120 1 84 . 1 1 14 14 LEU HA H 1 4.395 0.030 . 1 . . . . 14 LEU HA . 11120 1 85 . 1 1 14 14 LEU HB2 H 1 1.627 0.030 . 2 . . . . 14 LEU HB2 . 11120 1 86 . 1 1 14 14 LEU HB3 H 1 1.567 0.030 . 2 . . . . 14 LEU HB3 . 11120 1 87 . 1 1 14 14 LEU HD11 H 1 0.896 0.030 . 1 . . . . 14 LEU HD1 . 11120 1 88 . 1 1 14 14 LEU HD12 H 1 0.896 0.030 . 1 . . . . 14 LEU HD1 . 11120 1 89 . 1 1 14 14 LEU HD13 H 1 0.896 0.030 . 1 . . . . 14 LEU HD1 . 11120 1 90 . 1 1 14 14 LEU HD21 H 1 0.848 0.030 . 1 . . . . 14 LEU HD2 . 11120 1 91 . 1 1 14 14 LEU HD22 H 1 0.848 0.030 . 1 . . . . 14 LEU HD2 . 11120 1 92 . 1 1 14 14 LEU HD23 H 1 0.848 0.030 . 1 . . . . 14 LEU HD2 . 11120 1 93 . 1 1 14 14 LEU HG H 1 1.600 0.030 . 1 . . . . 14 LEU HG . 11120 1 94 . 1 1 14 14 LEU C C 13 177.132 0.300 . 1 . . . . 14 LEU C . 11120 1 95 . 1 1 14 14 LEU CA C 13 55.212 0.300 . 1 . . . . 14 LEU CA . 11120 1 96 . 1 1 14 14 LEU CB C 13 42.301 0.300 . 1 . . . . 14 LEU CB . 11120 1 97 . 1 1 14 14 LEU CD1 C 13 25.002 0.300 . 2 . . . . 14 LEU CD1 . 11120 1 98 . 1 1 14 14 LEU CD2 C 13 23.394 0.300 . 2 . . . . 14 LEU CD2 . 11120 1 99 . 1 1 14 14 LEU CG C 13 26.896 0.300 . 1 . . . . 14 LEU CG . 11120 1 100 . 1 1 14 14 LEU N N 15 124.706 0.300 . 1 . . . . 14 LEU N . 11120 1 101 . 1 1 15 15 SER H H 1 8.225 0.030 . 1 . . . . 15 SER H . 11120 1 102 . 1 1 15 15 SER HA H 1 4.444 0.030 . 1 . . . . 15 SER HA . 11120 1 103 . 1 1 15 15 SER HB2 H 1 3.831 0.030 . 2 . . . . 15 SER HB2 . 11120 1 104 . 1 1 15 15 SER HB3 H 1 3.784 0.030 . 2 . . . . 15 SER HB3 . 11120 1 105 . 1 1 15 15 SER C C 13 173.907 0.300 . 1 . . . . 15 SER C . 11120 1 106 . 1 1 15 15 SER CA C 13 58.125 0.300 . 1 . . . . 15 SER CA . 11120 1 107 . 1 1 15 15 SER CB C 13 63.924 0.300 . 1 . . . . 15 SER CB . 11120 1 108 . 1 1 15 15 SER N N 15 115.960 0.300 . 1 . . . . 15 SER N . 11120 1 109 . 1 1 16 16 ASP H H 1 8.269 0.030 . 1 . . . . 16 ASP H . 11120 1 110 . 1 1 16 16 ASP HA H 1 4.698 0.030 . 1 . . . . 16 ASP HA . 11120 1 111 . 1 1 16 16 ASP HB2 H 1 2.656 0.030 . 2 . . . . 16 ASP HB2 . 11120 1 112 . 1 1 16 16 ASP HB3 H 1 2.635 0.030 . 2 . . . . 16 ASP HB3 . 11120 1 113 . 1 1 16 16 ASP C C 13 175.579 0.300 . 1 . . . . 16 ASP C . 11120 1 114 . 1 1 16 16 ASP CA C 13 53.752 0.300 . 1 . . . . 16 ASP CA . 11120 1 115 . 1 1 16 16 ASP CB C 13 41.071 0.300 . 1 . . . . 16 ASP CB . 11120 1 116 . 1 1 16 16 ASP N N 15 122.071 0.300 . 1 . . . . 16 ASP N . 11120 1 117 . 1 1 17 17 VAL H H 1 7.837 0.030 . 1 . . . . 17 VAL H . 11120 1 118 . 1 1 17 17 VAL HA H 1 4.374 0.030 . 1 . . . . 17 VAL HA . 11120 1 119 . 1 1 17 17 VAL HB H 1 1.939 0.030 . 1 . . . . 17 VAL HB . 11120 1 120 . 1 1 17 17 VAL HG11 H 1 0.799 0.030 . 1 . . . . 17 VAL HG1 . 11120 1 121 . 1 1 17 17 VAL HG12 H 1 0.799 0.030 . 1 . . . . 17 VAL HG1 . 11120 1 122 . 1 1 17 17 VAL HG13 H 1 0.799 0.030 . 1 . . . . 17 VAL HG1 . 11120 1 123 . 1 1 17 17 VAL HG21 H 1 0.809 0.030 . 1 . . . . 17 VAL HG2 . 11120 1 124 . 1 1 17 17 VAL HG22 H 1 0.809 0.030 . 1 . . . . 17 VAL HG2 . 11120 1 125 . 1 1 17 17 VAL HG23 H 1 0.809 0.030 . 1 . . . . 17 VAL HG2 . 11120 1 126 . 1 1 17 17 VAL C C 13 173.570 0.300 . 1 . . . . 17 VAL C . 11120 1 127 . 1 1 17 17 VAL CA C 13 59.518 0.300 . 1 . . . . 17 VAL CA . 11120 1 128 . 1 1 17 17 VAL CB C 13 32.566 0.300 . 1 . . . . 17 VAL CB . 11120 1 129 . 1 1 17 17 VAL CG1 C 13 21.186 0.300 . 2 . . . . 17 VAL CG1 . 11120 1 130 . 1 1 17 17 VAL CG2 C 13 19.581 0.300 . 2 . . . . 17 VAL CG2 . 11120 1 131 . 1 1 17 17 VAL N N 15 118.396 0.300 . 1 . . . . 17 VAL N . 11120 1 132 . 1 1 18 18 PRO HA H 1 4.582 0.030 . 1 . . . . 18 PRO HA . 11120 1 133 . 1 1 18 18 PRO HB2 H 1 2.379 0.030 . 2 . . . . 18 PRO HB2 . 11120 1 134 . 1 1 18 18 PRO HD2 H 1 3.453 0.030 . 2 . . . . 18 PRO HD2 . 11120 1 135 . 1 1 18 18 PRO HD3 H 1 3.900 0.030 . 2 . . . . 18 PRO HD3 . 11120 1 136 . 1 1 18 18 PRO HG2 H 1 1.818 0.030 . 2 . . . . 18 PRO HG2 . 11120 1 137 . 1 1 18 18 PRO HG3 H 1 2.049 0.030 . 2 . . . . 18 PRO HG3 . 11120 1 138 . 1 1 18 18 PRO C C 13 176.520 0.300 . 1 . . . . 18 PRO C . 11120 1 139 . 1 1 18 18 PRO CA C 13 63.651 0.300 . 1 . . . . 18 PRO CA . 11120 1 140 . 1 1 18 18 PRO CB C 13 32.034 0.300 . 1 . . . . 18 PRO CB . 11120 1 141 . 1 1 18 18 PRO CD C 13 50.846 0.300 . 1 . . . . 18 PRO CD . 11120 1 142 . 1 1 18 18 PRO CG C 13 27.549 0.300 . 1 . . . . 18 PRO CG . 11120 1 143 . 1 1 19 19 SER H H 1 8.807 0.030 . 1 . . . . 19 SER H . 11120 1 144 . 1 1 19 19 SER HA H 1 4.467 0.030 . 1 . . . . 19 SER HA . 11120 1 145 . 1 1 19 19 SER HB2 H 1 3.800 0.030 . 2 . . . . 19 SER HB2 . 11120 1 146 . 1 1 19 19 SER HB3 H 1 4.067 0.030 . 2 . . . . 19 SER HB3 . 11120 1 147 . 1 1 19 19 SER C C 13 173.863 0.300 . 1 . . . . 19 SER C . 11120 1 148 . 1 1 19 19 SER CA C 13 57.962 0.300 . 1 . . . . 19 SER CA . 11120 1 149 . 1 1 19 19 SER CB C 13 64.105 0.300 . 1 . . . . 19 SER CB . 11120 1 150 . 1 1 19 19 SER N N 15 114.923 0.300 . 1 . . . . 19 SER N . 11120 1 151 . 1 1 20 20 ALA H H 1 7.863 0.030 . 1 . . . . 20 ALA H . 11120 1 152 . 1 1 20 20 ALA HA H 1 4.665 0.030 . 1 . . . . 20 ALA HA . 11120 1 153 . 1 1 20 20 ALA HB1 H 1 1.511 0.030 . 1 . . . . 20 ALA HB . 11120 1 154 . 1 1 20 20 ALA HB2 H 1 1.511 0.030 . 1 . . . . 20 ALA HB . 11120 1 155 . 1 1 20 20 ALA HB3 H 1 1.511 0.030 . 1 . . . . 20 ALA HB . 11120 1 156 . 1 1 20 20 ALA C C 13 175.661 0.300 . 1 . . . . 20 ALA C . 11120 1 157 . 1 1 20 20 ALA CA C 13 51.068 0.300 . 1 . . . . 20 ALA CA . 11120 1 158 . 1 1 20 20 ALA CB C 13 21.678 0.300 . 1 . . . . 20 ALA CB . 11120 1 159 . 1 1 20 20 ALA N N 15 123.390 0.300 . 1 . . . . 20 ALA N . 11120 1 160 . 1 1 21 21 ALA H H 1 8.148 0.030 . 1 . . . . 21 ALA H . 11120 1 161 . 1 1 21 21 ALA HA H 1 4.753 0.030 . 1 . . . . 21 ALA HA . 11120 1 162 . 1 1 21 21 ALA HB1 H 1 1.152 0.030 . 1 . . . . 21 ALA HB . 11120 1 163 . 1 1 21 21 ALA HB2 H 1 1.152 0.030 . 1 . . . . 21 ALA HB . 11120 1 164 . 1 1 21 21 ALA HB3 H 1 1.152 0.030 . 1 . . . . 21 ALA HB . 11120 1 165 . 1 1 21 21 ALA C C 13 175.245 0.300 . 1 . . . . 21 ALA C . 11120 1 166 . 1 1 21 21 ALA CA C 13 50.306 0.300 . 1 . . . . 21 ALA CA . 11120 1 167 . 1 1 21 21 ALA CB C 13 17.638 0.300 . 1 . . . . 21 ALA CB . 11120 1 168 . 1 1 21 21 ALA N N 15 122.575 0.300 . 1 . . . . 21 ALA N . 11120 1 169 . 1 1 22 22 PRO HA H 1 4.261 0.030 . 1 . . . . 22 PRO HA . 11120 1 170 . 1 1 22 22 PRO HB2 H 1 2.655 0.030 . 2 . . . . 22 PRO HB2 . 11120 1 171 . 1 1 22 22 PRO HB3 H 1 1.383 0.030 . 2 . . . . 22 PRO HB3 . 11120 1 172 . 1 1 22 22 PRO HD2 H 1 3.611 0.030 . 2 . . . . 22 PRO HD2 . 11120 1 173 . 1 1 22 22 PRO HD3 H 1 4.363 0.030 . 2 . . . . 22 PRO HD3 . 11120 1 174 . 1 1 22 22 PRO HG2 H 1 1.757 0.030 . 2 . . . . 22 PRO HG2 . 11120 1 175 . 1 1 22 22 PRO HG3 H 1 1.633 0.030 . 2 . . . . 22 PRO HG3 . 11120 1 176 . 1 1 22 22 PRO C C 13 173.685 0.300 . 1 . . . . 22 PRO C . 11120 1 177 . 1 1 22 22 PRO CA C 13 63.603 0.300 . 1 . . . . 22 PRO CA . 11120 1 178 . 1 1 22 22 PRO CB C 13 31.592 0.300 . 1 . . . . 22 PRO CB . 11120 1 179 . 1 1 22 22 PRO CD C 13 49.962 0.300 . 1 . . . . 22 PRO CD . 11120 1 180 . 1 1 22 22 PRO CG C 13 28.992 0.300 . 1 . . . . 22 PRO CG . 11120 1 181 . 1 1 23 23 GLN H H 1 7.763 0.030 . 1 . . . . 23 GLN H . 11120 1 182 . 1 1 23 23 GLN HA H 1 4.462 0.030 . 1 . . . . 23 GLN HA . 11120 1 183 . 1 1 23 23 GLN HB2 H 1 2.076 0.030 . 2 . . . . 23 GLN HB2 . 11120 1 184 . 1 1 23 23 GLN HB3 H 1 1.672 0.030 . 2 . . . . 23 GLN HB3 . 11120 1 185 . 1 1 23 23 GLN HE21 H 1 7.671 0.030 . 2 . . . . 23 GLN HE21 . 11120 1 186 . 1 1 23 23 GLN HE22 H 1 7.047 0.030 . 2 . . . . 23 GLN HE22 . 11120 1 187 . 1 1 23 23 GLN HG2 H 1 2.516 0.030 . 2 . . . . 23 GLN HG2 . 11120 1 188 . 1 1 23 23 GLN HG3 H 1 2.246 0.030 . 2 . . . . 23 GLN HG3 . 11120 1 189 . 1 1 23 23 GLN C C 13 174.862 0.300 . 1 . . . . 23 GLN C . 11120 1 190 . 1 1 23 23 GLN CA C 13 54.640 0.300 . 1 . . . . 23 GLN CA . 11120 1 191 . 1 1 23 23 GLN CB C 13 33.625 0.300 . 1 . . . . 23 GLN CB . 11120 1 192 . 1 1 23 23 GLN CG C 13 35.508 0.300 . 1 . . . . 23 GLN CG . 11120 1 193 . 1 1 23 23 GLN N N 15 117.979 0.300 . 1 . . . . 23 GLN N . 11120 1 194 . 1 1 23 23 GLN NE2 N 15 113.040 0.300 . 1 . . . . 23 GLN NE2 . 11120 1 195 . 1 1 24 24 ASN H H 1 8.874 0.030 . 1 . . . . 24 ASN H . 11120 1 196 . 1 1 24 24 ASN HA H 1 4.260 0.030 . 1 . . . . 24 ASN HA . 11120 1 197 . 1 1 24 24 ASN HB2 H 1 2.840 0.030 . 2 . . . . 24 ASN HB2 . 11120 1 198 . 1 1 24 24 ASN HB3 H 1 2.412 0.030 . 2 . . . . 24 ASN HB3 . 11120 1 199 . 1 1 24 24 ASN HD21 H 1 7.317 0.030 . 2 . . . . 24 ASN HD21 . 11120 1 200 . 1 1 24 24 ASN HD22 H 1 6.821 0.030 . 2 . . . . 24 ASN HD22 . 11120 1 201 . 1 1 24 24 ASN C C 13 173.755 0.300 . 1 . . . . 24 ASN C . 11120 1 202 . 1 1 24 24 ASN CA C 13 54.009 0.300 . 1 . . . . 24 ASN CA . 11120 1 203 . 1 1 24 24 ASN CB C 13 37.477 0.300 . 1 . . . . 24 ASN CB . 11120 1 204 . 1 1 24 24 ASN N N 15 114.922 0.300 . 1 . . . . 24 ASN N . 11120 1 205 . 1 1 24 24 ASN ND2 N 15 112.040 0.300 . 1 . . . . 24 ASN ND2 . 11120 1 206 . 1 1 25 25 LEU H H 1 8.167 0.030 . 1 . . . . 25 LEU H . 11120 1 207 . 1 1 25 25 LEU HA H 1 5.011 0.030 . 1 . . . . 25 LEU HA . 11120 1 208 . 1 1 25 25 LEU HB2 H 1 1.923 0.030 . 2 . . . . 25 LEU HB2 . 11120 1 209 . 1 1 25 25 LEU HB3 H 1 1.296 0.030 . 2 . . . . 25 LEU HB3 . 11120 1 210 . 1 1 25 25 LEU HD11 H 1 1.054 0.030 . 1 . . . . 25 LEU HD1 . 11120 1 211 . 1 1 25 25 LEU HD12 H 1 1.054 0.030 . 1 . . . . 25 LEU HD1 . 11120 1 212 . 1 1 25 25 LEU HD13 H 1 1.054 0.030 . 1 . . . . 25 LEU HD1 . 11120 1 213 . 1 1 25 25 LEU HD21 H 1 1.020 0.030 . 1 . . . . 25 LEU HD2 . 11120 1 214 . 1 1 25 25 LEU HD22 H 1 1.020 0.030 . 1 . . . . 25 LEU HD2 . 11120 1 215 . 1 1 25 25 LEU HD23 H 1 1.020 0.030 . 1 . . . . 25 LEU HD2 . 11120 1 216 . 1 1 25 25 LEU HG H 1 1.530 0.030 . 1 . . . . 25 LEU HG . 11120 1 217 . 1 1 25 25 LEU C C 13 176.968 0.300 . 1 . . . . 25 LEU C . 11120 1 218 . 1 1 25 25 LEU CA C 13 56.146 0.300 . 1 . . . . 25 LEU CA . 11120 1 219 . 1 1 25 25 LEU CB C 13 42.614 0.300 . 1 . . . . 25 LEU CB . 11120 1 220 . 1 1 25 25 LEU CD1 C 13 25.014 0.300 . 2 . . . . 25 LEU CD1 . 11120 1 221 . 1 1 25 25 LEU CD2 C 13 27.062 0.300 . 2 . . . . 25 LEU CD2 . 11120 1 222 . 1 1 25 25 LEU CG C 13 27.210 0.300 . 1 . . . . 25 LEU CG . 11120 1 223 . 1 1 25 25 LEU N N 15 120.015 0.300 . 1 . . . . 25 LEU N . 11120 1 224 . 1 1 26 26 SER H H 1 9.495 0.030 . 1 . . . . 26 SER H . 11120 1 225 . 1 1 26 26 SER HA H 1 4.639 0.030 . 1 . . . . 26 SER HA . 11120 1 226 . 1 1 26 26 SER HB2 H 1 3.613 0.030 . 1 . . . . 26 SER HB2 . 11120 1 227 . 1 1 26 26 SER HB3 H 1 3.613 0.030 . 1 . . . . 26 SER HB3 . 11120 1 228 . 1 1 26 26 SER C C 13 171.550 0.300 . 1 . . . . 26 SER C . 11120 1 229 . 1 1 26 26 SER CA C 13 57.667 0.300 . 1 . . . . 26 SER CA . 11120 1 230 . 1 1 26 26 SER CB C 13 65.778 0.300 . 1 . . . . 26 SER CB . 11120 1 231 . 1 1 26 26 SER N N 15 121.389 0.300 . 1 . . . . 26 SER N . 11120 1 232 . 1 1 27 27 LEU H H 1 8.476 0.030 . 1 . . . . 27 LEU H . 11120 1 233 . 1 1 27 27 LEU HA H 1 5.001 0.030 . 1 . . . . 27 LEU HA . 11120 1 234 . 1 1 27 27 LEU HB2 H 1 1.663 0.030 . 2 . . . . 27 LEU HB2 . 11120 1 235 . 1 1 27 27 LEU HB3 H 1 0.821 0.030 . 2 . . . . 27 LEU HB3 . 11120 1 236 . 1 1 27 27 LEU HD11 H 1 0.805 0.030 . 1 . . . . 27 LEU HD1 . 11120 1 237 . 1 1 27 27 LEU HD12 H 1 0.805 0.030 . 1 . . . . 27 LEU HD1 . 11120 1 238 . 1 1 27 27 LEU HD13 H 1 0.805 0.030 . 1 . . . . 27 LEU HD1 . 11120 1 239 . 1 1 27 27 LEU HD21 H 1 0.362 0.030 . 1 . . . . 27 LEU HD2 . 11120 1 240 . 1 1 27 27 LEU HD22 H 1 0.362 0.030 . 1 . . . . 27 LEU HD2 . 11120 1 241 . 1 1 27 27 LEU HD23 H 1 0.362 0.030 . 1 . . . . 27 LEU HD2 . 11120 1 242 . 1 1 27 27 LEU HG H 1 1.481 0.030 . 1 . . . . 27 LEU HG . 11120 1 243 . 1 1 27 27 LEU C C 13 175.939 0.300 . 1 . . . . 27 LEU C . 11120 1 244 . 1 1 27 27 LEU CA C 13 52.982 0.300 . 1 . . . . 27 LEU CA . 11120 1 245 . 1 1 27 27 LEU CB C 13 44.248 0.300 . 1 . . . . 27 LEU CB . 11120 1 246 . 1 1 27 27 LEU CD1 C 13 26.894 0.300 . 2 . . . . 27 LEU CD1 . 11120 1 247 . 1 1 27 27 LEU CD2 C 13 24.594 0.300 . 2 . . . . 27 LEU CD2 . 11120 1 248 . 1 1 27 27 LEU CG C 13 27.246 0.300 . 1 . . . . 27 LEU CG . 11120 1 249 . 1 1 27 27 LEU N N 15 120.684 0.300 . 1 . . . . 27 LEU N . 11120 1 250 . 1 1 28 28 GLU H H 1 9.140 0.030 . 1 . . . . 28 GLU H . 11120 1 251 . 1 1 28 28 GLU HA H 1 4.612 0.030 . 1 . . . . 28 GLU HA . 11120 1 252 . 1 1 28 28 GLU HB2 H 1 2.053 0.030 . 2 . . . . 28 GLU HB2 . 11120 1 253 . 1 1 28 28 GLU HB3 H 1 1.888 0.030 . 2 . . . . 28 GLU HB3 . 11120 1 254 . 1 1 28 28 GLU HG2 H 1 2.239 0.030 . 2 . . . . 28 GLU HG2 . 11120 1 255 . 1 1 28 28 GLU HG3 H 1 1.882 0.030 . 2 . . . . 28 GLU HG3 . 11120 1 256 . 1 1 28 28 GLU C C 13 174.740 0.300 . 1 . . . . 28 GLU C . 11120 1 257 . 1 1 28 28 GLU CA C 13 54.053 0.300 . 1 . . . . 28 GLU CA . 11120 1 258 . 1 1 28 28 GLU CB C 13 32.353 0.300 . 1 . . . . 28 GLU CB . 11120 1 259 . 1 1 28 28 GLU CG C 13 35.799 0.300 . 1 . . . . 28 GLU CG . 11120 1 260 . 1 1 28 28 GLU N N 15 124.326 0.300 . 1 . . . . 28 GLU N . 11120 1 261 . 1 1 29 29 VAL H H 1 9.147 0.030 . 1 . . . . 29 VAL H . 11120 1 262 . 1 1 29 29 VAL HA H 1 3.628 0.030 . 1 . . . . 29 VAL HA . 11120 1 263 . 1 1 29 29 VAL HB H 1 1.820 0.030 . 1 . . . . 29 VAL HB . 11120 1 264 . 1 1 29 29 VAL HG11 H 1 0.379 0.030 . 1 . . . . 29 VAL HG1 . 11120 1 265 . 1 1 29 29 VAL HG12 H 1 0.379 0.030 . 1 . . . . 29 VAL HG1 . 11120 1 266 . 1 1 29 29 VAL HG13 H 1 0.379 0.030 . 1 . . . . 29 VAL HG1 . 11120 1 267 . 1 1 29 29 VAL HG21 H 1 0.836 0.030 . 1 . . . . 29 VAL HG2 . 11120 1 268 . 1 1 29 29 VAL HG22 H 1 0.836 0.030 . 1 . . . . 29 VAL HG2 . 11120 1 269 . 1 1 29 29 VAL HG23 H 1 0.836 0.030 . 1 . . . . 29 VAL HG2 . 11120 1 270 . 1 1 29 29 VAL C C 13 175.766 0.300 . 1 . . . . 29 VAL C . 11120 1 271 . 1 1 29 29 VAL CA C 13 64.667 0.300 . 1 . . . . 29 VAL CA . 11120 1 272 . 1 1 29 29 VAL CB C 13 31.278 0.300 . 1 . . . . 29 VAL CB . 11120 1 273 . 1 1 29 29 VAL CG1 C 13 21.736 0.300 . 2 . . . . 29 VAL CG1 . 11120 1 274 . 1 1 29 29 VAL CG2 C 13 21.421 0.300 . 2 . . . . 29 VAL CG2 . 11120 1 275 . 1 1 29 29 VAL N N 15 129.675 0.300 . 1 . . . . 29 VAL N . 11120 1 276 . 1 1 30 30 ARG H H 1 7.852 0.030 . 1 . . . . 30 ARG H . 11120 1 277 . 1 1 30 30 ARG HA H 1 4.373 0.030 . 1 . . . . 30 ARG HA . 11120 1 278 . 1 1 30 30 ARG HB2 H 1 1.650 0.030 . 1 . . . . 30 ARG HB2 . 11120 1 279 . 1 1 30 30 ARG HB3 H 1 1.650 0.030 . 1 . . . . 30 ARG HB3 . 11120 1 280 . 1 1 30 30 ARG HD2 H 1 3.052 0.030 . 1 . . . . 30 ARG HD2 . 11120 1 281 . 1 1 30 30 ARG HD3 H 1 3.052 0.030 . 1 . . . . 30 ARG HD3 . 11120 1 282 . 1 1 30 30 ARG HE H 1 7.338 0.030 . 1 . . . . 30 ARG HE . 11120 1 283 . 1 1 30 30 ARG HG2 H 1 1.470 0.030 . 1 . . . . 30 ARG HG2 . 11120 1 284 . 1 1 30 30 ARG HG3 H 1 1.470 0.030 . 1 . . . . 30 ARG HG3 . 11120 1 285 . 1 1 30 30 ARG C C 13 175.899 0.300 . 1 . . . . 30 ARG C . 11120 1 286 . 1 1 30 30 ARG CA C 13 56.141 0.300 . 1 . . . . 30 ARG CA . 11120 1 287 . 1 1 30 30 ARG CB C 13 30.936 0.300 . 1 . . . . 30 ARG CB . 11120 1 288 . 1 1 30 30 ARG CD C 13 42.361 0.300 . 1 . . . . 30 ARG CD . 11120 1 289 . 1 1 30 30 ARG CG C 13 26.527 0.300 . 1 . . . . 30 ARG CG . 11120 1 290 . 1 1 30 30 ARG N N 15 126.651 0.300 . 1 . . . . 30 ARG N . 11120 1 291 . 1 1 30 30 ARG NE N 15 83.415 0.300 . 1 . . . . 30 ARG NE . 11120 1 292 . 1 1 31 31 ASN H H 1 7.781 0.030 . 1 . . . . 31 ASN H . 11120 1 293 . 1 1 31 31 ASN HA H 1 4.686 0.030 . 1 . . . . 31 ASN HA . 11120 1 294 . 1 1 31 31 ASN HB2 H 1 3.571 0.030 . 1 . . . . 31 ASN HB2 . 11120 1 295 . 1 1 31 31 ASN HB3 H 1 3.571 0.030 . 1 . . . . 31 ASN HB3 . 11120 1 296 . 1 1 31 31 ASN HD21 H 1 7.962 0.030 . 2 . . . . 31 ASN HD21 . 11120 1 297 . 1 1 31 31 ASN HD22 H 1 7.077 0.030 . 2 . . . . 31 ASN HD22 . 11120 1 298 . 1 1 31 31 ASN C C 13 174.103 0.300 . 1 . . . . 31 ASN C . 11120 1 299 . 1 1 31 31 ASN CA C 13 53.333 0.300 . 1 . . . . 31 ASN CA . 11120 1 300 . 1 1 31 31 ASN CB C 13 36.980 0.300 . 1 . . . . 31 ASN CB . 11120 1 301 . 1 1 31 31 ASN N N 15 114.233 0.300 . 1 . . . . 31 ASN N . 11120 1 302 . 1 1 31 31 ASN ND2 N 15 115.537 0.300 . 1 . . . . 31 ASN ND2 . 11120 1 303 . 1 1 32 32 SER H H 1 9.183 0.030 . 1 . . . . 32 SER H . 11120 1 304 . 1 1 32 32 SER HA H 1 4.559 0.030 . 1 . . . . 32 SER HA . 11120 1 305 . 1 1 32 32 SER HB2 H 1 4.023 0.030 . 2 . . . . 32 SER HB2 . 11120 1 306 . 1 1 32 32 SER HB3 H 1 3.460 0.030 . 2 . . . . 32 SER HB3 . 11120 1 307 . 1 1 32 32 SER C C 13 172.564 0.300 . 1 . . . . 32 SER C . 11120 1 308 . 1 1 32 32 SER CA C 13 60.547 0.300 . 1 . . . . 32 SER CA . 11120 1 309 . 1 1 32 32 SER CB C 13 64.393 0.300 . 1 . . . . 32 SER CB . 11120 1 310 . 1 1 32 32 SER N N 15 112.308 0.300 . 1 . . . . 32 SER N . 11120 1 311 . 1 1 33 33 LYS H H 1 7.685 0.030 . 1 . . . . 33 LYS H . 11120 1 312 . 1 1 33 33 LYS HA H 1 4.801 0.030 . 1 . . . . 33 LYS HA . 11120 1 313 . 1 1 33 33 LYS HB2 H 1 2.040 0.030 . 2 . . . . 33 LYS HB2 . 11120 1 314 . 1 1 33 33 LYS HB3 H 1 1.648 0.030 . 2 . . . . 33 LYS HB3 . 11120 1 315 . 1 1 33 33 LYS HD2 H 1 1.674 0.030 . 2 . . . . 33 LYS HD2 . 11120 1 316 . 1 1 33 33 LYS HD3 H 1 1.633 0.030 . 2 . . . . 33 LYS HD3 . 11120 1 317 . 1 1 33 33 LYS HE2 H 1 2.957 0.030 . 1 . . . . 33 LYS HE2 . 11120 1 318 . 1 1 33 33 LYS HE3 H 1 2.957 0.030 . 1 . . . . 33 LYS HE3 . 11120 1 319 . 1 1 33 33 LYS HG2 H 1 1.409 0.030 . 1 . . . . 33 LYS HG2 . 11120 1 320 . 1 1 33 33 LYS HG3 H 1 1.409 0.030 . 1 . . . . 33 LYS HG3 . 11120 1 321 . 1 1 33 33 LYS C C 13 176.337 0.300 . 1 . . . . 33 LYS C . 11120 1 322 . 1 1 33 33 LYS CA C 13 54.658 0.300 . 1 . . . . 33 LYS CA . 11120 1 323 . 1 1 33 33 LYS CB C 13 35.666 0.300 . 1 . . . . 33 LYS CB . 11120 1 324 . 1 1 33 33 LYS CD C 13 29.271 0.300 . 1 . . . . 33 LYS CD . 11120 1 325 . 1 1 33 33 LYS CE C 13 42.114 0.300 . 1 . . . . 33 LYS CE . 11120 1 326 . 1 1 33 33 LYS CG C 13 23.703 0.300 . 1 . . . . 33 LYS CG . 11120 1 327 . 1 1 33 33 LYS N N 15 112.845 0.300 . 1 . . . . 33 LYS N . 11120 1 328 . 1 1 34 34 SER H H 1 7.317 0.030 . 1 . . . . 34 SER H . 11120 1 329 . 1 1 34 34 SER HA H 1 5.527 0.030 . 1 . . . . 34 SER HA . 11120 1 330 . 1 1 34 34 SER HB2 H 1 3.852 0.030 . 2 . . . . 34 SER HB2 . 11120 1 331 . 1 1 34 34 SER HB3 H 1 3.441 0.030 . 2 . . . . 34 SER HB3 . 11120 1 332 . 1 1 34 34 SER C C 13 172.452 0.300 . 1 . . . . 34 SER C . 11120 1 333 . 1 1 34 34 SER CA C 13 57.577 0.300 . 1 . . . . 34 SER CA . 11120 1 334 . 1 1 34 34 SER CB C 13 66.966 0.300 . 1 . . . . 34 SER CB . 11120 1 335 . 1 1 34 34 SER N N 15 111.545 0.300 . 1 . . . . 34 SER N . 11120 1 336 . 1 1 35 35 ILE H H 1 8.373 0.030 . 1 . . . . 35 ILE H . 11120 1 337 . 1 1 35 35 ILE HA H 1 4.177 0.030 . 1 . . . . 35 ILE HA . 11120 1 338 . 1 1 35 35 ILE HB H 1 1.046 0.030 . 1 . . . . 35 ILE HB . 11120 1 339 . 1 1 35 35 ILE HD11 H 1 0.718 0.030 . 1 . . . . 35 ILE HD1 . 11120 1 340 . 1 1 35 35 ILE HD12 H 1 0.718 0.030 . 1 . . . . 35 ILE HD1 . 11120 1 341 . 1 1 35 35 ILE HD13 H 1 0.718 0.030 . 1 . . . . 35 ILE HD1 . 11120 1 342 . 1 1 35 35 ILE HG12 H 1 1.387 0.030 . 2 . . . . 35 ILE HG12 . 11120 1 343 . 1 1 35 35 ILE HG13 H 1 0.799 0.030 . 2 . . . . 35 ILE HG13 . 11120 1 344 . 1 1 35 35 ILE HG21 H 1 0.198 0.030 . 1 . . . . 35 ILE HG2 . 11120 1 345 . 1 1 35 35 ILE HG22 H 1 0.198 0.030 . 1 . . . . 35 ILE HG2 . 11120 1 346 . 1 1 35 35 ILE HG23 H 1 0.198 0.030 . 1 . . . . 35 ILE HG2 . 11120 1 347 . 1 1 35 35 ILE C C 13 172.846 0.300 . 1 . . . . 35 ILE C . 11120 1 348 . 1 1 35 35 ILE CA C 13 60.539 0.300 . 1 . . . . 35 ILE CA . 11120 1 349 . 1 1 35 35 ILE CB C 13 43.526 0.300 . 1 . . . . 35 ILE CB . 11120 1 350 . 1 1 35 35 ILE CD1 C 13 13.635 0.300 . 1 . . . . 35 ILE CD1 . 11120 1 351 . 1 1 35 35 ILE CG1 C 13 29.186 0.300 . 1 . . . . 35 ILE CG1 . 11120 1 352 . 1 1 35 35 ILE CG2 C 13 16.960 0.300 . 1 . . . . 35 ILE CG2 . 11120 1 353 . 1 1 35 35 ILE N N 15 121.934 0.300 . 1 . . . . 35 ILE N . 11120 1 354 . 1 1 36 36 MET H H 1 9.158 0.030 . 1 . . . . 36 MET H . 11120 1 355 . 1 1 36 36 MET HA H 1 4.875 0.030 . 1 . . . . 36 MET HA . 11120 1 356 . 1 1 36 36 MET HB2 H 1 2.131 0.030 . 2 . . . . 36 MET HB2 . 11120 1 357 . 1 1 36 36 MET HB3 H 1 1.552 0.030 . 2 . . . . 36 MET HB3 . 11120 1 358 . 1 1 36 36 MET HE1 H 1 1.884 0.030 . 1 . . . . 36 MET HE . 11120 1 359 . 1 1 36 36 MET HE2 H 1 1.884 0.030 . 1 . . . . 36 MET HE . 11120 1 360 . 1 1 36 36 MET HE3 H 1 1.884 0.030 . 1 . . . . 36 MET HE . 11120 1 361 . 1 1 36 36 MET HG2 H 1 2.263 0.030 . 2 . . . . 36 MET HG2 . 11120 1 362 . 1 1 36 36 MET HG3 H 1 1.671 0.030 . 2 . . . . 36 MET HG3 . 11120 1 363 . 1 1 36 36 MET C C 13 172.985 0.300 . 1 . . . . 36 MET C . 11120 1 364 . 1 1 36 36 MET CA C 13 53.669 0.300 . 1 . . . . 36 MET CA . 11120 1 365 . 1 1 36 36 MET CB C 13 33.899 0.300 . 1 . . . . 36 MET CB . 11120 1 366 . 1 1 36 36 MET CE C 13 18.019 0.300 . 1 . . . . 36 MET CE . 11120 1 367 . 1 1 36 36 MET CG C 13 32.201 0.300 . 1 . . . . 36 MET CG . 11120 1 368 . 1 1 36 36 MET N N 15 127.839 0.300 . 1 . . . . 36 MET N . 11120 1 369 . 1 1 37 37 ILE H H 1 8.507 0.030 . 1 . . . . 37 ILE H . 11120 1 370 . 1 1 37 37 ILE HA H 1 4.706 0.030 . 1 . . . . 37 ILE HA . 11120 1 371 . 1 1 37 37 ILE HB H 1 1.717 0.030 . 1 . . . . 37 ILE HB . 11120 1 372 . 1 1 37 37 ILE HD11 H 1 0.397 0.030 . 1 . . . . 37 ILE HD1 . 11120 1 373 . 1 1 37 37 ILE HD12 H 1 0.397 0.030 . 1 . . . . 37 ILE HD1 . 11120 1 374 . 1 1 37 37 ILE HD13 H 1 0.397 0.030 . 1 . . . . 37 ILE HD1 . 11120 1 375 . 1 1 37 37 ILE HG12 H 1 0.896 0.030 . 2 . . . . 37 ILE HG12 . 11120 1 376 . 1 1 37 37 ILE HG13 H 1 1.340 0.030 . 2 . . . . 37 ILE HG13 . 11120 1 377 . 1 1 37 37 ILE HG21 H 1 0.853 0.030 . 1 . . . . 37 ILE HG2 . 11120 1 378 . 1 1 37 37 ILE HG22 H 1 0.853 0.030 . 1 . . . . 37 ILE HG2 . 11120 1 379 . 1 1 37 37 ILE HG23 H 1 0.853 0.030 . 1 . . . . 37 ILE HG2 . 11120 1 380 . 1 1 37 37 ILE C C 13 173.835 0.300 . 1 . . . . 37 ILE C . 11120 1 381 . 1 1 37 37 ILE CA C 13 59.024 0.300 . 1 . . . . 37 ILE CA . 11120 1 382 . 1 1 37 37 ILE CB C 13 39.867 0.300 . 1 . . . . 37 ILE CB . 11120 1 383 . 1 1 37 37 ILE CD1 C 13 15.082 0.300 . 1 . . . . 37 ILE CD1 . 11120 1 384 . 1 1 37 37 ILE CG1 C 13 27.306 0.300 . 1 . . . . 37 ILE CG1 . 11120 1 385 . 1 1 37 37 ILE CG2 C 13 18.326 0.300 . 1 . . . . 37 ILE CG2 . 11120 1 386 . 1 1 37 37 ILE N N 15 128.104 0.300 . 1 . . . . 37 ILE N . 11120 1 387 . 1 1 38 38 HIS H H 1 8.741 0.030 . 1 . . . . 38 HIS H . 11120 1 388 . 1 1 38 38 HIS HA H 1 4.924 0.030 . 1 . . . . 38 HIS HA . 11120 1 389 . 1 1 38 38 HIS HB2 H 1 2.968 0.030 . 2 . . . . 38 HIS HB2 . 11120 1 390 . 1 1 38 38 HIS HB3 H 1 2.892 0.030 . 2 . . . . 38 HIS HB3 . 11120 1 391 . 1 1 38 38 HIS HD2 H 1 6.579 0.030 . 1 . . . . 38 HIS HD2 . 11120 1 392 . 1 1 38 38 HIS HE1 H 1 7.734 0.030 . 1 . . . . 38 HIS HE1 . 11120 1 393 . 1 1 38 38 HIS C C 13 174.009 0.300 . 1 . . . . 38 HIS C . 11120 1 394 . 1 1 38 38 HIS CA C 13 55.075 0.300 . 1 . . . . 38 HIS CA . 11120 1 395 . 1 1 38 38 HIS CB C 13 33.851 0.300 . 1 . . . . 38 HIS CB . 11120 1 396 . 1 1 38 38 HIS CD2 C 13 119.429 0.300 . 1 . . . . 38 HIS CD2 . 11120 1 397 . 1 1 38 38 HIS CE1 C 13 137.633 0.300 . 1 . . . . 38 HIS CE1 . 11120 1 398 . 1 1 38 38 HIS N N 15 122.561 0.300 . 1 . . . . 38 HIS N . 11120 1 399 . 1 1 39 39 TRP H H 1 7.947 0.030 . 1 . . . . 39 TRP H . 11120 1 400 . 1 1 39 39 TRP HA H 1 4.869 0.030 . 1 . . . . 39 TRP HA . 11120 1 401 . 1 1 39 39 TRP HB2 H 1 3.329 0.030 . 2 . . . . 39 TRP HB2 . 11120 1 402 . 1 1 39 39 TRP HB3 H 1 2.876 0.030 . 2 . . . . 39 TRP HB3 . 11120 1 403 . 1 1 39 39 TRP HD1 H 1 6.211 0.030 . 1 . . . . 39 TRP HD1 . 11120 1 404 . 1 1 39 39 TRP HE1 H 1 5.885 0.030 . 1 . . . . 39 TRP HE1 . 11120 1 405 . 1 1 39 39 TRP HE3 H 1 6.820 0.030 . 1 . . . . 39 TRP HE3 . 11120 1 406 . 1 1 39 39 TRP HH2 H 1 6.452 0.030 . 1 . . . . 39 TRP HH2 . 11120 1 407 . 1 1 39 39 TRP HZ2 H 1 6.895 0.030 . 1 . . . . 39 TRP HZ2 . 11120 1 408 . 1 1 39 39 TRP HZ3 H 1 6.410 0.030 . 1 . . . . 39 TRP HZ3 . 11120 1 409 . 1 1 39 39 TRP C C 13 172.367 0.300 . 1 . . . . 39 TRP C . 11120 1 410 . 1 1 39 39 TRP CA C 13 57.623 0.300 . 1 . . . . 39 TRP CA . 11120 1 411 . 1 1 39 39 TRP CB C 13 30.274 0.300 . 1 . . . . 39 TRP CB . 11120 1 412 . 1 1 39 39 TRP CD1 C 13 125.044 0.300 . 1 . . . . 39 TRP CD1 . 11120 1 413 . 1 1 39 39 TRP CE3 C 13 120.060 0.300 . 1 . . . . 39 TRP CE3 . 11120 1 414 . 1 1 39 39 TRP CH2 C 13 122.466 0.300 . 1 . . . . 39 TRP CH2 . 11120 1 415 . 1 1 39 39 TRP CZ2 C 13 114.460 0.300 . 1 . . . . 39 TRP CZ2 . 11120 1 416 . 1 1 39 39 TRP CZ3 C 13 120.072 0.300 . 1 . . . . 39 TRP CZ3 . 11120 1 417 . 1 1 39 39 TRP N N 15 117.222 0.300 . 1 . . . . 39 TRP N . 11120 1 418 . 1 1 39 39 TRP NE1 N 15 124.711 0.300 . 1 . . . . 39 TRP NE1 . 11120 1 419 . 1 1 40 40 GLN H H 1 8.721 0.030 . 1 . . . . 40 GLN H . 11120 1 420 . 1 1 40 40 GLN HA H 1 4.809 0.030 . 1 . . . . 40 GLN HA . 11120 1 421 . 1 1 40 40 GLN HB2 H 1 1.620 0.030 . 2 . . . . 40 GLN HB2 . 11120 1 422 . 1 1 40 40 GLN HB3 H 1 2.212 0.030 . 2 . . . . 40 GLN HB3 . 11120 1 423 . 1 1 40 40 GLN HE21 H 1 7.510 0.030 . 2 . . . . 40 GLN HE21 . 11120 1 424 . 1 1 40 40 GLN HE22 H 1 6.838 0.030 . 2 . . . . 40 GLN HE22 . 11120 1 425 . 1 1 40 40 GLN HG2 H 1 2.350 0.030 . 1 . . . . 40 GLN HG2 . 11120 1 426 . 1 1 40 40 GLN HG3 H 1 2.350 0.030 . 1 . . . . 40 GLN HG3 . 11120 1 427 . 1 1 40 40 GLN C C 13 173.327 0.300 . 1 . . . . 40 GLN C . 11120 1 428 . 1 1 40 40 GLN CA C 13 52.634 0.300 . 1 . . . . 40 GLN CA . 11120 1 429 . 1 1 40 40 GLN CB C 13 30.061 0.300 . 1 . . . . 40 GLN CB . 11120 1 430 . 1 1 40 40 GLN CG C 13 33.864 0.300 . 1 . . . . 40 GLN CG . 11120 1 431 . 1 1 40 40 GLN N N 15 115.498 0.300 . 1 . . . . 40 GLN N . 11120 1 432 . 1 1 40 40 GLN NE2 N 15 112.834 0.300 . 1 . . . . 40 GLN NE2 . 11120 1 433 . 1 1 41 41 PRO HA H 1 5.117 0.030 . 1 . . . . 41 PRO HA . 11120 1 434 . 1 1 41 41 PRO HB2 H 1 2.485 0.030 . 2 . . . . 41 PRO HB2 . 11120 1 435 . 1 1 41 41 PRO HB3 H 1 1.847 0.030 . 2 . . . . 41 PRO HB3 . 11120 1 436 . 1 1 41 41 PRO HD2 H 1 3.593 0.030 . 2 . . . . 41 PRO HD2 . 11120 1 437 . 1 1 41 41 PRO HD3 H 1 3.774 0.030 . 2 . . . . 41 PRO HD3 . 11120 1 438 . 1 1 41 41 PRO HG2 H 1 2.147 0.030 . 2 . . . . 41 PRO HG2 . 11120 1 439 . 1 1 41 41 PRO HG3 H 1 2.106 0.030 . 2 . . . . 41 PRO HG3 . 11120 1 440 . 1 1 41 41 PRO CA C 13 62.149 0.300 . 1 . . . . 41 PRO CA . 11120 1 441 . 1 1 41 41 PRO CB C 13 30.169 0.300 . 1 . . . . 41 PRO CB . 11120 1 442 . 1 1 41 41 PRO CD C 13 50.705 0.300 . 1 . . . . 41 PRO CD . 11120 1 443 . 1 1 41 41 PRO CG C 13 27.952 0.300 . 1 . . . . 41 PRO CG . 11120 1 444 . 1 1 42 42 PRO HA H 1 4.488 0.030 . 1 . . . . 42 PRO HA . 11120 1 445 . 1 1 42 42 PRO HB2 H 1 2.135 0.030 . 2 . . . . 42 PRO HB2 . 11120 1 446 . 1 1 42 42 PRO HB3 H 1 1.644 0.030 . 2 . . . . 42 PRO HB3 . 11120 1 447 . 1 1 42 42 PRO HD2 H 1 3.911 0.030 . 2 . . . . 42 PRO HD2 . 11120 1 448 . 1 1 42 42 PRO HD3 H 1 3.605 0.030 . 2 . . . . 42 PRO HD3 . 11120 1 449 . 1 1 42 42 PRO HG2 H 1 1.652 0.030 . 2 . . . . 42 PRO HG2 . 11120 1 450 . 1 1 42 42 PRO HG3 H 1 1.830 0.030 . 2 . . . . 42 PRO HG3 . 11120 1 451 . 1 1 42 42 PRO C C 13 175.212 0.300 . 1 . . . . 42 PRO C . 11120 1 452 . 1 1 42 42 PRO CA C 13 62.124 0.300 . 1 . . . . 42 PRO CA . 11120 1 453 . 1 1 42 42 PRO CB C 13 32.130 0.300 . 1 . . . . 42 PRO CB . 11120 1 454 . 1 1 42 42 PRO CD C 13 50.647 0.300 . 1 . . . . 42 PRO CD . 11120 1 455 . 1 1 42 42 PRO CG C 13 28.216 0.300 . 1 . . . . 42 PRO CG . 11120 1 456 . 1 1 43 43 ALA H H 1 8.797 0.030 . 1 . . . . 43 ALA H . 11120 1 457 . 1 1 43 43 ALA HA H 1 4.393 0.030 . 1 . . . . 43 ALA HA . 11120 1 458 . 1 1 43 43 ALA HB1 H 1 1.393 0.030 . 1 . . . . 43 ALA HB . 11120 1 459 . 1 1 43 43 ALA HB2 H 1 1.393 0.030 . 1 . . . . 43 ALA HB . 11120 1 460 . 1 1 43 43 ALA HB3 H 1 1.393 0.030 . 1 . . . . 43 ALA HB . 11120 1 461 . 1 1 43 43 ALA C C 13 177.454 0.300 . 1 . . . . 43 ALA C . 11120 1 462 . 1 1 43 43 ALA CA C 13 51.178 0.300 . 1 . . . . 43 ALA CA . 11120 1 463 . 1 1 43 43 ALA CB C 13 17.151 0.300 . 1 . . . . 43 ALA CB . 11120 1 464 . 1 1 43 43 ALA N N 15 125.256 0.300 . 1 . . . . 43 ALA N . 11120 1 465 . 1 1 44 44 PRO HA H 1 4.146 0.030 . 1 . . . . 44 PRO HA . 11120 1 466 . 1 1 44 44 PRO HB2 H 1 2.361 0.030 . 2 . . . . 44 PRO HB2 . 11120 1 467 . 1 1 44 44 PRO HB3 H 1 1.968 0.030 . 2 . . . . 44 PRO HB3 . 11120 1 468 . 1 1 44 44 PRO HD2 H 1 3.742 0.030 . 2 . . . . 44 PRO HD2 . 11120 1 469 . 1 1 44 44 PRO HD3 H 1 3.945 0.030 . 2 . . . . 44 PRO HD3 . 11120 1 470 . 1 1 44 44 PRO HG2 H 1 2.153 0.030 . 2 . . . . 44 PRO HG2 . 11120 1 471 . 1 1 44 44 PRO HG3 H 1 2.034 0.030 . 2 . . . . 44 PRO HG3 . 11120 1 472 . 1 1 44 44 PRO C C 13 177.964 0.300 . 1 . . . . 44 PRO C . 11120 1 473 . 1 1 44 44 PRO CA C 13 65.939 0.300 . 1 . . . . 44 PRO CA . 11120 1 474 . 1 1 44 44 PRO CB C 13 32.124 0.300 . 1 . . . . 44 PRO CB . 11120 1 475 . 1 1 44 44 PRO CD C 13 50.740 0.300 . 1 . . . . 44 PRO CD . 11120 1 476 . 1 1 44 44 PRO CG C 13 27.520 0.300 . 1 . . . . 44 PRO CG . 11120 1 477 . 1 1 45 45 ALA H H 1 8.586 0.030 . 1 . . . . 45 ALA H . 11120 1 478 . 1 1 45 45 ALA HA H 1 4.273 0.030 . 1 . . . . 45 ALA HA . 11120 1 479 . 1 1 45 45 ALA HB1 H 1 1.434 0.030 . 1 . . . . 45 ALA HB . 11120 1 480 . 1 1 45 45 ALA HB2 H 1 1.434 0.030 . 1 . . . . 45 ALA HB . 11120 1 481 . 1 1 45 45 ALA HB3 H 1 1.434 0.030 . 1 . . . . 45 ALA HB . 11120 1 482 . 1 1 45 45 ALA C C 13 178.149 0.300 . 1 . . . . 45 ALA C . 11120 1 483 . 1 1 45 45 ALA CA C 13 53.988 0.300 . 1 . . . . 45 ALA CA . 11120 1 484 . 1 1 45 45 ALA CB C 13 18.781 0.300 . 1 . . . . 45 ALA CB . 11120 1 485 . 1 1 45 45 ALA N N 15 119.217 0.300 . 1 . . . . 45 ALA N . 11120 1 486 . 1 1 46 46 THR H H 1 8.147 0.030 . 1 . . . . 46 THR H . 11120 1 487 . 1 1 46 46 THR HB H 1 4.310 0.030 . 1 . . . . 46 THR HB . 11120 1 488 . 1 1 46 46 THR HG21 H 1 1.078 0.030 . 1 . . . . 46 THR HG2 . 11120 1 489 . 1 1 46 46 THR HG22 H 1 1.078 0.030 . 1 . . . . 46 THR HG2 . 11120 1 490 . 1 1 46 46 THR HG23 H 1 1.078 0.030 . 1 . . . . 46 THR HG2 . 11120 1 491 . 1 1 46 46 THR C C 13 174.747 0.300 . 1 . . . . 46 THR C . 11120 1 492 . 1 1 46 46 THR CA C 13 61.791 0.300 . 1 . . . . 46 THR CA . 11120 1 493 . 1 1 46 46 THR CB C 13 69.981 0.300 . 1 . . . . 46 THR CB . 11120 1 494 . 1 1 46 46 THR CG2 C 13 21.763 0.300 . 1 . . . . 46 THR CG2 . 11120 1 495 . 1 1 46 46 THR N N 15 107.692 0.300 . 1 . . . . 46 THR N . 11120 1 496 . 1 1 47 47 GLN H H 1 7.498 0.030 . 1 . . . . 47 GLN H . 11120 1 497 . 1 1 47 47 GLN HA H 1 3.953 0.030 . 1 . . . . 47 GLN HA . 11120 1 498 . 1 1 47 47 GLN HB2 H 1 2.017 0.030 . 2 . . . . 47 GLN HB2 . 11120 1 499 . 1 1 47 47 GLN HB3 H 1 2.260 0.030 . 2 . . . . 47 GLN HB3 . 11120 1 500 . 1 1 47 47 GLN HE21 H 1 7.539 0.030 . 2 . . . . 47 GLN HE21 . 11120 1 501 . 1 1 47 47 GLN HE22 H 1 7.102 0.030 . 2 . . . . 47 GLN HE22 . 11120 1 502 . 1 1 47 47 GLN HG2 H 1 2.497 0.030 . 2 . . . . 47 GLN HG2 . 11120 1 503 . 1 1 47 47 GLN HG3 H 1 2.096 0.030 . 2 . . . . 47 GLN HG3 . 11120 1 504 . 1 1 47 47 GLN C C 13 176.046 0.300 . 1 . . . . 47 GLN C . 11120 1 505 . 1 1 47 47 GLN CA C 13 57.914 0.300 . 1 . . . . 47 GLN CA . 11120 1 506 . 1 1 47 47 GLN CB C 13 28.609 0.300 . 1 . . . . 47 GLN CB . 11120 1 507 . 1 1 47 47 GLN CG C 13 34.603 0.300 . 1 . . . . 47 GLN CG . 11120 1 508 . 1 1 47 47 GLN N N 15 120.702 0.300 . 1 . . . . 47 GLN N . 11120 1 509 . 1 1 47 47 GLN NE2 N 15 111.022 0.300 . 1 . . . . 47 GLN NE2 . 11120 1 510 . 1 1 48 48 ASN H H 1 8.322 0.030 . 1 . . . . 48 ASN H . 11120 1 511 . 1 1 48 48 ASN HA H 1 4.451 0.030 . 1 . . . . 48 ASN HA . 11120 1 512 . 1 1 48 48 ASN HB2 H 1 2.803 0.030 . 2 . . . . 48 ASN HB2 . 11120 1 513 . 1 1 48 48 ASN HB3 H 1 2.664 0.030 . 2 . . . . 48 ASN HB3 . 11120 1 514 . 1 1 48 48 ASN HD21 H 1 7.608 0.030 . 2 . . . . 48 ASN HD21 . 11120 1 515 . 1 1 48 48 ASN HD22 H 1 6.810 0.030 . 2 . . . . 48 ASN HD22 . 11120 1 516 . 1 1 48 48 ASN C C 13 174.333 0.300 . 1 . . . . 48 ASN C . 11120 1 517 . 1 1 48 48 ASN CA C 13 53.519 0.300 . 1 . . . . 48 ASN CA . 11120 1 518 . 1 1 48 48 ASN CB C 13 37.468 0.300 . 1 . . . . 48 ASN CB . 11120 1 519 . 1 1 48 48 ASN N N 15 113.441 0.300 . 1 . . . . 48 ASN N . 11120 1 520 . 1 1 48 48 ASN ND2 N 15 113.155 0.300 . 1 . . . . 48 ASN ND2 . 11120 1 521 . 1 1 49 49 GLY H H 1 7.740 0.030 . 1 . . . . 49 GLY H . 11120 1 522 . 1 1 49 49 GLY HA2 H 1 4.115 0.030 . 2 . . . . 49 GLY HA2 . 11120 1 523 . 1 1 49 49 GLY HA3 H 1 3.827 0.030 . 2 . . . . 49 GLY HA3 . 11120 1 524 . 1 1 49 49 GLY C C 13 172.395 0.300 . 1 . . . . 49 GLY C . 11120 1 525 . 1 1 49 49 GLY CA C 13 44.153 0.300 . 1 . . . . 49 GLY CA . 11120 1 526 . 1 1 49 49 GLY N N 15 106.673 0.300 . 1 . . . . 49 GLY N . 11120 1 527 . 1 1 50 50 GLN H H 1 8.084 0.030 . 1 . . . . 50 GLN H . 11120 1 528 . 1 1 50 50 GLN HA H 1 4.224 0.030 . 1 . . . . 50 GLN HA . 11120 1 529 . 1 1 50 50 GLN HB2 H 1 1.984 0.030 . 2 . . . . 50 GLN HB2 . 11120 1 530 . 1 1 50 50 GLN HB3 H 1 1.914 0.030 . 2 . . . . 50 GLN HB3 . 11120 1 531 . 1 1 50 50 GLN HE21 H 1 7.574 0.030 . 2 . . . . 50 GLN HE21 . 11120 1 532 . 1 1 50 50 GLN HE22 H 1 6.882 0.030 . 2 . . . . 50 GLN HE22 . 11120 1 533 . 1 1 50 50 GLN HG2 H 1 2.306 0.030 . 2 . . . . 50 GLN HG2 . 11120 1 534 . 1 1 50 50 GLN HG3 H 1 2.229 0.030 . 2 . . . . 50 GLN HG3 . 11120 1 535 . 1 1 50 50 GLN C C 13 176.216 0.300 . 1 . . . . 50 GLN C . 11120 1 536 . 1 1 50 50 GLN CA C 13 55.625 0.300 . 1 . . . . 50 GLN CA . 11120 1 537 . 1 1 50 50 GLN CB C 13 29.354 0.300 . 1 . . . . 50 GLN CB . 11120 1 538 . 1 1 50 50 GLN CG C 13 33.488 0.300 . 1 . . . . 50 GLN CG . 11120 1 539 . 1 1 50 50 GLN N N 15 118.780 0.300 . 1 . . . . 50 GLN N . 11120 1 540 . 1 1 50 50 GLN NE2 N 15 112.602 0.300 . 1 . . . . 50 GLN NE2 . 11120 1 541 . 1 1 51 51 ILE H H 1 8.700 0.030 . 1 . . . . 51 ILE H . 11120 1 542 . 1 1 51 51 ILE HA H 1 4.358 0.030 . 1 . . . . 51 ILE HA . 11120 1 543 . 1 1 51 51 ILE HB H 1 1.929 0.030 . 1 . . . . 51 ILE HB . 11120 1 544 . 1 1 51 51 ILE HD11 H 1 0.770 0.030 . 1 . . . . 51 ILE HD1 . 11120 1 545 . 1 1 51 51 ILE HD12 H 1 0.770 0.030 . 1 . . . . 51 ILE HD1 . 11120 1 546 . 1 1 51 51 ILE HD13 H 1 0.770 0.030 . 1 . . . . 51 ILE HD1 . 11120 1 547 . 1 1 51 51 ILE HG12 H 1 1.517 0.030 . 2 . . . . 51 ILE HG12 . 11120 1 548 . 1 1 51 51 ILE HG13 H 1 1.219 0.030 . 2 . . . . 51 ILE HG13 . 11120 1 549 . 1 1 51 51 ILE HG21 H 1 0.819 0.030 . 1 . . . . 51 ILE HG2 . 11120 1 550 . 1 1 51 51 ILE HG22 H 1 0.819 0.030 . 1 . . . . 51 ILE HG2 . 11120 1 551 . 1 1 51 51 ILE HG23 H 1 0.819 0.030 . 1 . . . . 51 ILE HG2 . 11120 1 552 . 1 1 51 51 ILE C C 13 177.564 0.300 . 1 . . . . 51 ILE C . 11120 1 553 . 1 1 51 51 ILE CA C 13 60.905 0.300 . 1 . . . . 51 ILE CA . 11120 1 554 . 1 1 51 51 ILE CB C 13 36.668 0.300 . 1 . . . . 51 ILE CB . 11120 1 555 . 1 1 51 51 ILE CD1 C 13 12.129 0.300 . 1 . . . . 51 ILE CD1 . 11120 1 556 . 1 1 51 51 ILE CG1 C 13 27.995 0.300 . 1 . . . . 51 ILE CG1 . 11120 1 557 . 1 1 51 51 ILE CG2 C 13 17.685 0.300 . 1 . . . . 51 ILE CG2 . 11120 1 558 . 1 1 51 51 ILE N N 15 126.825 0.300 . 1 . . . . 51 ILE N . 11120 1 559 . 1 1 52 52 THR H H 1 9.020 0.030 . 1 . . . . 52 THR H . 11120 1 560 . 1 1 52 52 THR HA H 1 4.389 0.030 . 1 . . . . 52 THR HA . 11120 1 561 . 1 1 52 52 THR HB H 1 4.268 0.030 . 1 . . . . 52 THR HB . 11120 1 562 . 1 1 52 52 THR HG21 H 1 1.078 0.030 . 1 . . . . 52 THR HG2 . 11120 1 563 . 1 1 52 52 THR HG22 H 1 1.078 0.030 . 1 . . . . 52 THR HG2 . 11120 1 564 . 1 1 52 52 THR HG23 H 1 1.078 0.030 . 1 . . . . 52 THR HG2 . 11120 1 565 . 1 1 52 52 THR C C 13 175.534 0.300 . 1 . . . . 52 THR C . 11120 1 566 . 1 1 52 52 THR CA C 13 61.269 0.300 . 1 . . . . 52 THR CA . 11120 1 567 . 1 1 52 52 THR CB C 13 68.682 0.300 . 1 . . . . 52 THR CB . 11120 1 568 . 1 1 52 52 THR CG2 C 13 22.613 0.300 . 1 . . . . 52 THR CG2 . 11120 1 569 . 1 1 52 52 THR N N 15 119.708 0.300 . 1 . . . . 52 THR N . 11120 1 570 . 1 1 53 53 GLY H H 1 7.488 0.030 . 1 . . . . 53 GLY H . 11120 1 571 . 1 1 53 53 GLY HA2 H 1 4.378 0.030 . 2 . . . . 53 GLY HA2 . 11120 1 572 . 1 1 53 53 GLY HA3 H 1 3.938 0.030 . 2 . . . . 53 GLY HA3 . 11120 1 573 . 1 1 53 53 GLY C C 13 169.387 0.300 . 1 . . . . 53 GLY C . 11120 1 574 . 1 1 53 53 GLY CA C 13 45.412 0.300 . 1 . . . . 53 GLY CA . 11120 1 575 . 1 1 53 53 GLY N N 15 110.513 0.300 . 1 . . . . 53 GLY N . 11120 1 576 . 1 1 54 54 TYR H H 1 8.402 0.030 . 1 . . . . 54 TYR H . 11120 1 577 . 1 1 54 54 TYR HA H 1 5.071 0.030 . 1 . . . . 54 TYR HA . 11120 1 578 . 1 1 54 54 TYR HB2 H 1 2.444 0.030 . 2 . . . . 54 TYR HB2 . 11120 1 579 . 1 1 54 54 TYR HB3 H 1 2.151 0.030 . 2 . . . . 54 TYR HB3 . 11120 1 580 . 1 1 54 54 TYR C C 13 173.761 0.300 . 1 . . . . 54 TYR C . 11120 1 581 . 1 1 54 54 TYR CA C 13 57.579 0.300 . 1 . . . . 54 TYR CA . 11120 1 582 . 1 1 54 54 TYR CB C 13 41.972 0.300 . 1 . . . . 54 TYR CB . 11120 1 583 . 1 1 54 54 TYR N N 15 114.023 0.300 . 1 . . . . 54 TYR N . 11120 1 584 . 1 1 55 55 LYS H H 1 9.012 0.030 . 1 . . . . 55 LYS H . 11120 1 585 . 1 1 55 55 LYS HA H 1 4.950 0.030 . 1 . . . . 55 LYS HA . 11120 1 586 . 1 1 55 55 LYS HB2 H 1 1.473 0.030 . 2 . . . . 55 LYS HB2 . 11120 1 587 . 1 1 55 55 LYS HB3 H 1 1.387 0.030 . 2 . . . . 55 LYS HB3 . 11120 1 588 . 1 1 55 55 LYS HD2 H 1 1.605 0.030 . 2 . . . . 55 LYS HD2 . 11120 1 589 . 1 1 55 55 LYS HD3 H 1 1.456 0.030 . 2 . . . . 55 LYS HD3 . 11120 1 590 . 1 1 55 55 LYS HE2 H 1 2.769 0.030 . 2 . . . . 55 LYS HE2 . 11120 1 591 . 1 1 55 55 LYS HE3 H 1 2.728 0.030 . 2 . . . . 55 LYS HE3 . 11120 1 592 . 1 1 55 55 LYS HG2 H 1 1.199 0.030 . 2 . . . . 55 LYS HG2 . 11120 1 593 . 1 1 55 55 LYS HG3 H 1 1.134 0.030 . 2 . . . . 55 LYS HG3 . 11120 1 594 . 1 1 55 55 LYS C C 13 174.865 0.300 . 1 . . . . 55 LYS C . 11120 1 595 . 1 1 55 55 LYS CA C 13 54.488 0.300 . 1 . . . . 55 LYS CA . 11120 1 596 . 1 1 55 55 LYS CB C 13 35.434 0.300 . 1 . . . . 55 LYS CB . 11120 1 597 . 1 1 55 55 LYS CD C 13 29.373 0.300 . 1 . . . . 55 LYS CD . 11120 1 598 . 1 1 55 55 LYS CE C 13 41.831 0.300 . 1 . . . . 55 LYS CE . 11120 1 599 . 1 1 55 55 LYS CG C 13 25.565 0.300 . 1 . . . . 55 LYS CG . 11120 1 600 . 1 1 55 55 LYS N N 15 121.022 0.300 . 1 . . . . 55 LYS N . 11120 1 601 . 1 1 56 56 ILE H H 1 9.194 0.030 . 1 . . . . 56 ILE H . 11120 1 602 . 1 1 56 56 ILE HA H 1 4.542 0.030 . 1 . . . . 56 ILE HA . 11120 1 603 . 1 1 56 56 ILE HB H 1 1.875 0.030 . 1 . . . . 56 ILE HB . 11120 1 604 . 1 1 56 56 ILE HD11 H 1 0.754 0.030 . 1 . . . . 56 ILE HD1 . 11120 1 605 . 1 1 56 56 ILE HD12 H 1 0.754 0.030 . 1 . . . . 56 ILE HD1 . 11120 1 606 . 1 1 56 56 ILE HD13 H 1 0.754 0.030 . 1 . . . . 56 ILE HD1 . 11120 1 607 . 1 1 56 56 ILE HG12 H 1 1.281 0.030 . 2 . . . . 56 ILE HG12 . 11120 1 608 . 1 1 56 56 ILE HG13 H 1 0.592 0.030 . 2 . . . . 56 ILE HG13 . 11120 1 609 . 1 1 56 56 ILE HG21 H 1 0.997 0.030 . 1 . . . . 56 ILE HG2 . 11120 1 610 . 1 1 56 56 ILE HG22 H 1 0.997 0.030 . 1 . . . . 56 ILE HG2 . 11120 1 611 . 1 1 56 56 ILE HG23 H 1 0.997 0.030 . 1 . . . . 56 ILE HG2 . 11120 1 612 . 1 1 56 56 ILE C C 13 175.034 0.300 . 1 . . . . 56 ILE C . 11120 1 613 . 1 1 56 56 ILE CA C 13 60.342 0.300 . 1 . . . . 56 ILE CA . 11120 1 614 . 1 1 56 56 ILE CB C 13 39.850 0.300 . 1 . . . . 56 ILE CB . 11120 1 615 . 1 1 56 56 ILE CD1 C 13 15.611 0.300 . 1 . . . . 56 ILE CD1 . 11120 1 616 . 1 1 56 56 ILE CG1 C 13 27.880 0.300 . 1 . . . . 56 ILE CG1 . 11120 1 617 . 1 1 56 56 ILE CG2 C 13 17.964 0.300 . 1 . . . . 56 ILE CG2 . 11120 1 618 . 1 1 56 56 ILE N N 15 128.438 0.300 . 1 . . . . 56 ILE N . 11120 1 619 . 1 1 57 57 ARG H H 1 8.824 0.030 . 1 . . . . 57 ARG H . 11120 1 620 . 1 1 57 57 ARG HA H 1 5.652 0.030 . 1 . . . . 57 ARG HA . 11120 1 621 . 1 1 57 57 ARG HB2 H 1 1.676 0.030 . 2 . . . . 57 ARG HB2 . 11120 1 622 . 1 1 57 57 ARG HB3 H 1 1.314 0.030 . 2 . . . . 57 ARG HB3 . 11120 1 623 . 1 1 57 57 ARG HD2 H 1 3.028 0.030 . 2 . . . . 57 ARG HD2 . 11120 1 624 . 1 1 57 57 ARG HD3 H 1 2.924 0.030 . 2 . . . . 57 ARG HD3 . 11120 1 625 . 1 1 57 57 ARG HG2 H 1 1.525 0.030 . 1 . . . . 57 ARG HG2 . 11120 1 626 . 1 1 57 57 ARG HG3 H 1 1.525 0.030 . 1 . . . . 57 ARG HG3 . 11120 1 627 . 1 1 57 57 ARG C C 13 174.990 0.300 . 1 . . . . 57 ARG C . 11120 1 628 . 1 1 57 57 ARG CA C 13 54.130 0.300 . 1 . . . . 57 ARG CA . 11120 1 629 . 1 1 57 57 ARG CB C 13 34.071 0.300 . 1 . . . . 57 ARG CB . 11120 1 630 . 1 1 57 57 ARG CD C 13 43.936 0.300 . 1 . . . . 57 ARG CD . 11120 1 631 . 1 1 57 57 ARG CG C 13 28.703 0.300 . 1 . . . . 57 ARG CG . 11120 1 632 . 1 1 57 57 ARG N N 15 125.988 0.300 . 1 . . . . 57 ARG N . 11120 1 633 . 1 1 58 58 TYR H H 1 9.096 0.030 . 1 . . . . 58 TYR H . 11120 1 634 . 1 1 58 58 TYR HA H 1 6.049 0.030 . 1 . . . . 58 TYR HA . 11120 1 635 . 1 1 58 58 TYR HB2 H 1 2.871 0.030 . 2 . . . . 58 TYR HB2 . 11120 1 636 . 1 1 58 58 TYR HB3 H 1 2.163 0.030 . 2 . . . . 58 TYR HB3 . 11120 1 637 . 1 1 58 58 TYR HD1 H 1 6.646 0.030 . 1 . . . . 58 TYR HD1 . 11120 1 638 . 1 1 58 58 TYR HD2 H 1 6.646 0.030 . 1 . . . . 58 TYR HD2 . 11120 1 639 . 1 1 58 58 TYR HE1 H 1 6.587 0.030 . 1 . . . . 58 TYR HE1 . 11120 1 640 . 1 1 58 58 TYR HE2 H 1 6.587 0.030 . 1 . . . . 58 TYR HE2 . 11120 1 641 . 1 1 58 58 TYR C C 13 172.945 0.300 . 1 . . . . 58 TYR C . 11120 1 642 . 1 1 58 58 TYR CA C 13 55.599 0.300 . 1 . . . . 58 TYR CA . 11120 1 643 . 1 1 58 58 TYR CB C 13 42.795 0.300 . 1 . . . . 58 TYR CB . 11120 1 644 . 1 1 58 58 TYR CD1 C 13 133.127 0.300 . 1 . . . . 58 TYR CD1 . 11120 1 645 . 1 1 58 58 TYR CD2 C 13 133.127 0.300 . 1 . . . . 58 TYR CD2 . 11120 1 646 . 1 1 58 58 TYR CE1 C 13 117.977 0.300 . 1 . . . . 58 TYR CE1 . 11120 1 647 . 1 1 58 58 TYR CE2 C 13 117.977 0.300 . 1 . . . . 58 TYR CE2 . 11120 1 648 . 1 1 58 58 TYR N N 15 116.722 0.300 . 1 . . . . 58 TYR N . 11120 1 649 . 1 1 59 59 ARG H H 1 8.566 0.030 . 1 . . . . 59 ARG H . 11120 1 650 . 1 1 59 59 ARG HA H 1 4.984 0.030 . 1 . . . . 59 ARG HA . 11120 1 651 . 1 1 59 59 ARG HB2 H 1 1.718 0.030 . 2 . . . . 59 ARG HB2 . 11120 1 652 . 1 1 59 59 ARG HB3 H 1 1.501 0.030 . 2 . . . . 59 ARG HB3 . 11120 1 653 . 1 1 59 59 ARG HD2 H 1 2.785 0.030 . 2 . . . . 59 ARG HD2 . 11120 1 654 . 1 1 59 59 ARG HD3 H 1 2.163 0.030 . 2 . . . . 59 ARG HD3 . 11120 1 655 . 1 1 59 59 ARG HE H 1 6.877 0.030 . 1 . . . . 59 ARG HE . 11120 1 656 . 1 1 59 59 ARG HG2 H 1 0.772 0.030 . 2 . . . . 59 ARG HG2 . 11120 1 657 . 1 1 59 59 ARG HG3 H 1 1.083 0.030 . 2 . . . . 59 ARG HG3 . 11120 1 658 . 1 1 59 59 ARG C C 13 174.197 0.300 . 1 . . . . 59 ARG C . 11120 1 659 . 1 1 59 59 ARG CA C 13 53.257 0.300 . 1 . . . . 59 ARG CA . 11120 1 660 . 1 1 59 59 ARG CB C 13 33.107 0.300 . 1 . . . . 59 ARG CB . 11120 1 661 . 1 1 59 59 ARG CD C 13 43.328 0.300 . 1 . . . . 59 ARG CD . 11120 1 662 . 1 1 59 59 ARG CG C 13 24.812 0.300 . 1 . . . . 59 ARG CG . 11120 1 663 . 1 1 59 59 ARG N N 15 114.455 0.300 . 1 . . . . 59 ARG N . 11120 1 664 . 1 1 59 59 ARG NE N 15 84.230 0.300 . 1 . . . . 59 ARG NE . 11120 1 665 . 1 1 60 60 LYS H H 1 9.319 0.030 . 1 . . . . 60 LYS H . 11120 1 666 . 1 1 60 60 LYS HA H 1 3.845 0.030 . 1 . . . . 60 LYS HA . 11120 1 667 . 1 1 60 60 LYS HB2 H 1 1.596 0.030 . 2 . . . . 60 LYS HB2 . 11120 1 668 . 1 1 60 60 LYS HB3 H 1 1.444 0.030 . 2 . . . . 60 LYS HB3 . 11120 1 669 . 1 1 60 60 LYS HD2 H 1 1.505 0.030 . 1 . . . . 60 LYS HD2 . 11120 1 670 . 1 1 60 60 LYS HD3 H 1 1.505 0.030 . 1 . . . . 60 LYS HD3 . 11120 1 671 . 1 1 60 60 LYS HE2 H 1 3.005 0.030 . 2 . . . . 60 LYS HE2 . 11120 1 672 . 1 1 60 60 LYS HE3 H 1 2.907 0.030 . 2 . . . . 60 LYS HE3 . 11120 1 673 . 1 1 60 60 LYS HG2 H 1 1.297 0.030 . 2 . . . . 60 LYS HG2 . 11120 1 674 . 1 1 60 60 LYS HG3 H 1 0.787 0.030 . 2 . . . . 60 LYS HG3 . 11120 1 675 . 1 1 60 60 LYS C C 13 177.650 0.300 . 1 . . . . 60 LYS C . 11120 1 676 . 1 1 60 60 LYS CA C 13 56.972 0.300 . 1 . . . . 60 LYS CA . 11120 1 677 . 1 1 60 60 LYS CB C 13 33.155 0.300 . 1 . . . . 60 LYS CB . 11120 1 678 . 1 1 60 60 LYS CD C 13 30.035 0.300 . 1 . . . . 60 LYS CD . 11120 1 679 . 1 1 60 60 LYS CE C 13 42.085 0.300 . 1 . . . . 60 LYS CE . 11120 1 680 . 1 1 60 60 LYS CG C 13 26.520 0.300 . 1 . . . . 60 LYS CG . 11120 1 681 . 1 1 60 60 LYS N N 15 123.745 0.300 . 1 . . . . 60 LYS N . 11120 1 682 . 1 1 61 61 ALA H H 1 8.084 0.030 . 1 . . . . 61 ALA H . 11120 1 683 . 1 1 61 61 ALA HA H 1 3.637 0.030 . 1 . . . . 61 ALA HA . 11120 1 684 . 1 1 61 61 ALA HB1 H 1 1.102 0.030 . 1 . . . . 61 ALA HB . 11120 1 685 . 1 1 61 61 ALA HB2 H 1 1.102 0.030 . 1 . . . . 61 ALA HB . 11120 1 686 . 1 1 61 61 ALA HB3 H 1 1.102 0.030 . 1 . . . . 61 ALA HB . 11120 1 687 . 1 1 61 61 ALA C C 13 178.185 0.300 . 1 . . . . 61 ALA C . 11120 1 688 . 1 1 61 61 ALA CA C 13 54.608 0.300 . 1 . . . . 61 ALA CA . 11120 1 689 . 1 1 61 61 ALA CB C 13 18.421 0.300 . 1 . . . . 61 ALA CB . 11120 1 690 . 1 1 61 61 ALA N N 15 127.577 0.300 . 1 . . . . 61 ALA N . 11120 1 691 . 1 1 62 62 SER H H 1 8.066 0.030 . 1 . . . . 62 SER H . 11120 1 692 . 1 1 62 62 SER HA H 1 4.204 0.030 . 1 . . . . 62 SER HA . 11120 1 693 . 1 1 62 62 SER HB2 H 1 3.975 0.030 . 2 . . . . 62 SER HB2 . 11120 1 694 . 1 1 62 62 SER HB3 H 1 3.738 0.030 . 2 . . . . 62 SER HB3 . 11120 1 695 . 1 1 62 62 SER C C 13 174.559 0.300 . 1 . . . . 62 SER C . 11120 1 696 . 1 1 62 62 SER CA C 13 58.301 0.300 . 1 . . . . 62 SER CA . 11120 1 697 . 1 1 62 62 SER CB C 13 63.313 0.300 . 1 . . . . 62 SER CB . 11120 1 698 . 1 1 62 62 SER N N 15 108.382 0.300 . 1 . . . . 62 SER N . 11120 1 699 . 1 1 63 63 ARG H H 1 7.498 0.030 . 1 . . . . 63 ARG H . 11120 1 700 . 1 1 63 63 ARG HA H 1 4.564 0.030 . 1 . . . . 63 ARG HA . 11120 1 701 . 1 1 63 63 ARG HB2 H 1 1.835 0.030 . 2 . . . . 63 ARG HB2 . 11120 1 702 . 1 1 63 63 ARG HB3 H 1 1.575 0.030 . 2 . . . . 63 ARG HB3 . 11120 1 703 . 1 1 63 63 ARG HD2 H 1 3.175 0.030 . 2 . . . . 63 ARG HD2 . 11120 1 704 . 1 1 63 63 ARG HG2 H 1 1.547 0.030 . 1 . . . . 63 ARG HG2 . 11120 1 705 . 1 1 63 63 ARG HG3 H 1 1.547 0.030 . 1 . . . . 63 ARG HG3 . 11120 1 706 . 1 1 63 63 ARG C C 13 176.179 0.300 . 1 . . . . 63 ARG C . 11120 1 707 . 1 1 63 63 ARG CA C 13 54.578 0.300 . 1 . . . . 63 ARG CA . 11120 1 708 . 1 1 63 63 ARG CB C 13 30.604 0.300 . 1 . . . . 63 ARG CB . 11120 1 709 . 1 1 63 63 ARG CD C 13 43.315 0.300 . 1 . . . . 63 ARG CD . 11120 1 710 . 1 1 63 63 ARG CG C 13 27.093 0.300 . 1 . . . . 63 ARG CG . 11120 1 711 . 1 1 63 63 ARG N N 15 125.265 0.300 . 1 . . . . 63 ARG N . 11120 1 712 . 1 1 64 64 LYS H H 1 8.557 0.030 . 1 . . . . 64 LYS H . 11120 1 713 . 1 1 64 64 LYS HA H 1 3.542 0.030 . 1 . . . . 64 LYS HA . 11120 1 714 . 1 1 64 64 LYS HB2 H 1 1.544 0.030 . 1 . . . . 64 LYS HB2 . 11120 1 715 . 1 1 64 64 LYS HB3 H 1 1.544 0.030 . 1 . . . . 64 LYS HB3 . 11120 1 716 . 1 1 64 64 LYS HD2 H 1 1.447 0.030 . 2 . . . . 64 LYS HD2 . 11120 1 717 . 1 1 64 64 LYS HD3 H 1 1.363 0.030 . 2 . . . . 64 LYS HD3 . 11120 1 718 . 1 1 64 64 LYS HE2 H 1 2.886 0.030 . 2 . . . . 64 LYS HE2 . 11120 1 719 . 1 1 64 64 LYS HE3 H 1 2.853 0.030 . 2 . . . . 64 LYS HE3 . 11120 1 720 . 1 1 64 64 LYS HG2 H 1 0.840 0.030 . 2 . . . . 64 LYS HG2 . 11120 1 721 . 1 1 64 64 LYS HG3 H 1 1.601 0.030 . 2 . . . . 64 LYS HG3 . 11120 1 722 . 1 1 64 64 LYS C C 13 176.586 0.300 . 1 . . . . 64 LYS C . 11120 1 723 . 1 1 64 64 LYS CA C 13 59.663 0.300 . 1 . . . . 64 LYS CA . 11120 1 724 . 1 1 64 64 LYS CB C 13 32.894 0.300 . 1 . . . . 64 LYS CB . 11120 1 725 . 1 1 64 64 LYS CD C 13 29.465 0.300 . 1 . . . . 64 LYS CD . 11120 1 726 . 1 1 64 64 LYS CE C 13 42.242 0.300 . 1 . . . . 64 LYS CE . 11120 1 727 . 1 1 64 64 LYS CG C 13 26.864 0.300 . 1 . . . . 64 LYS CG . 11120 1 728 . 1 1 64 64 LYS N N 15 122.134 0.300 . 1 . . . . 64 LYS N . 11120 1 729 . 1 1 65 65 SER H H 1 8.048 0.030 . 1 . . . . 65 SER H . 11120 1 730 . 1 1 65 65 SER HA H 1 4.205 0.030 . 1 . . . . 65 SER HA . 11120 1 731 . 1 1 65 65 SER HB2 H 1 3.929 0.030 . 2 . . . . 65 SER HB2 . 11120 1 732 . 1 1 65 65 SER HB3 H 1 3.793 0.030 . 2 . . . . 65 SER HB3 . 11120 1 733 . 1 1 65 65 SER C C 13 174.158 0.300 . 1 . . . . 65 SER C . 11120 1 734 . 1 1 65 65 SER CA C 13 59.217 0.300 . 1 . . . . 65 SER CA . 11120 1 735 . 1 1 65 65 SER CB C 13 63.385 0.300 . 1 . . . . 65 SER CB . 11120 1 736 . 1 1 65 65 SER N N 15 110.377 0.300 . 1 . . . . 65 SER N . 11120 1 737 . 1 1 66 66 ASP H H 1 7.302 0.030 . 1 . . . . 66 ASP H . 11120 1 738 . 1 1 66 66 ASP HA H 1 4.892 0.030 . 1 . . . . 66 ASP HA . 11120 1 739 . 1 1 66 66 ASP HB2 H 1 2.759 0.030 . 2 . . . . 66 ASP HB2 . 11120 1 740 . 1 1 66 66 ASP HB3 H 1 2.545 0.030 . 2 . . . . 66 ASP HB3 . 11120 1 741 . 1 1 66 66 ASP C C 13 174.576 0.300 . 1 . . . . 66 ASP C . 11120 1 742 . 1 1 66 66 ASP CA C 13 53.249 0.300 . 1 . . . . 66 ASP CA . 11120 1 743 . 1 1 66 66 ASP CB C 13 40.606 0.300 . 1 . . . . 66 ASP CB . 11120 1 744 . 1 1 66 66 ASP N N 15 122.784 0.300 . 1 . . . . 66 ASP N . 11120 1 745 . 1 1 67 67 VAL H H 1 8.281 0.030 . 1 . . . . 67 VAL H . 11120 1 746 . 1 1 67 67 VAL HA H 1 4.408 0.030 . 1 . . . . 67 VAL HA . 11120 1 747 . 1 1 67 67 VAL HB H 1 1.948 0.030 . 1 . . . . 67 VAL HB . 11120 1 748 . 1 1 67 67 VAL HG11 H 1 0.941 0.030 . 1 . . . . 67 VAL HG1 . 11120 1 749 . 1 1 67 67 VAL HG12 H 1 0.941 0.030 . 1 . . . . 67 VAL HG1 . 11120 1 750 . 1 1 67 67 VAL HG13 H 1 0.941 0.030 . 1 . . . . 67 VAL HG1 . 11120 1 751 . 1 1 67 67 VAL HG21 H 1 0.917 0.030 . 1 . . . . 67 VAL HG2 . 11120 1 752 . 1 1 67 67 VAL HG22 H 1 0.917 0.030 . 1 . . . . 67 VAL HG2 . 11120 1 753 . 1 1 67 67 VAL HG23 H 1 0.917 0.030 . 1 . . . . 67 VAL HG2 . 11120 1 754 . 1 1 67 67 VAL C C 13 175.937 0.300 . 1 . . . . 67 VAL C . 11120 1 755 . 1 1 67 67 VAL CA C 13 61.346 0.300 . 1 . . . . 67 VAL CA . 11120 1 756 . 1 1 67 67 VAL CB C 13 34.035 0.300 . 1 . . . . 67 VAL CB . 11120 1 757 . 1 1 67 67 VAL CG1 C 13 22.141 0.300 . 2 . . . . 67 VAL CG1 . 11120 1 758 . 1 1 67 67 VAL CG2 C 13 21.928 0.300 . 2 . . . . 67 VAL CG2 . 11120 1 759 . 1 1 67 67 VAL N N 15 125.861 0.300 . 1 . . . . 67 VAL N . 11120 1 760 . 1 1 68 68 THR H H 1 8.941 0.030 . 1 . . . . 68 THR H . 11120 1 761 . 1 1 68 68 THR HA H 1 4.248 0.030 . 1 . . . . 68 THR HA . 11120 1 762 . 1 1 68 68 THR HB H 1 2.428 0.030 . 1 . . . . 68 THR HB . 11120 1 763 . 1 1 68 68 THR HG21 H 1 1.018 0.030 . 1 . . . . 68 THR HG2 . 11120 1 764 . 1 1 68 68 THR HG22 H 1 1.018 0.030 . 1 . . . . 68 THR HG2 . 11120 1 765 . 1 1 68 68 THR HG23 H 1 1.018 0.030 . 1 . . . . 68 THR HG2 . 11120 1 766 . 1 1 68 68 THR C C 13 171.606 0.300 . 1 . . . . 68 THR C . 11120 1 767 . 1 1 68 68 THR CA C 13 62.358 0.300 . 1 . . . . 68 THR CA . 11120 1 768 . 1 1 68 68 THR CB C 13 69.898 0.300 . 1 . . . . 68 THR CB . 11120 1 769 . 1 1 68 68 THR CG2 C 13 21.850 0.300 . 1 . . . . 68 THR CG2 . 11120 1 770 . 1 1 68 68 THR N N 15 126.490 0.300 . 1 . . . . 68 THR N . 11120 1 771 . 1 1 69 69 GLU H H 1 8.588 0.030 . 1 . . . . 69 GLU H . 11120 1 772 . 1 1 69 69 GLU HA H 1 5.651 0.030 . 1 . . . . 69 GLU HA . 11120 1 773 . 1 1 69 69 GLU HB2 H 1 1.840 0.030 . 2 . . . . 69 GLU HB2 . 11120 1 774 . 1 1 69 69 GLU HB3 H 1 1.866 0.030 . 2 . . . . 69 GLU HB3 . 11120 1 775 . 1 1 69 69 GLU HG2 H 1 2.093 0.030 . 2 . . . . 69 GLU HG2 . 11120 1 776 . 1 1 69 69 GLU HG3 H 1 1.937 0.030 . 2 . . . . 69 GLU HG3 . 11120 1 777 . 1 1 69 69 GLU C C 13 175.423 0.300 . 1 . . . . 69 GLU C . 11120 1 778 . 1 1 69 69 GLU CA C 13 54.112 0.300 . 1 . . . . 69 GLU CA . 11120 1 779 . 1 1 69 69 GLU CB C 13 33.899 0.300 . 1 . . . . 69 GLU CB . 11120 1 780 . 1 1 69 69 GLU CG C 13 37.752 0.300 . 1 . . . . 69 GLU CG . 11120 1 781 . 1 1 69 69 GLU N N 15 124.950 0.300 . 1 . . . . 69 GLU N . 11120 1 782 . 1 1 70 70 THR H H 1 9.295 0.030 . 1 . . . . 70 THR H . 11120 1 783 . 1 1 70 70 THR HA H 1 4.670 0.030 . 1 . . . . 70 THR HA . 11120 1 784 . 1 1 70 70 THR HB H 1 3.955 0.030 . 1 . . . . 70 THR HB . 11120 1 785 . 1 1 70 70 THR HG21 H 1 1.191 0.030 . 1 . . . . 70 THR HG2 . 11120 1 786 . 1 1 70 70 THR HG22 H 1 1.191 0.030 . 1 . . . . 70 THR HG2 . 11120 1 787 . 1 1 70 70 THR HG23 H 1 1.191 0.030 . 1 . . . . 70 THR HG2 . 11120 1 788 . 1 1 70 70 THR C C 13 171.492 0.300 . 1 . . . . 70 THR C . 11120 1 789 . 1 1 70 70 THR CA C 13 61.398 0.300 . 1 . . . . 70 THR CA . 11120 1 790 . 1 1 70 70 THR CB C 13 71.643 0.300 . 1 . . . . 70 THR CB . 11120 1 791 . 1 1 70 70 THR CG2 C 13 20.959 0.300 . 1 . . . . 70 THR CG2 . 11120 1 792 . 1 1 70 70 THR N N 15 121.586 0.300 . 1 . . . . 70 THR N . 11120 1 793 . 1 1 71 71 LEU H H 1 8.508 0.030 . 1 . . . . 71 LEU H . 11120 1 794 . 1 1 71 71 LEU HA H 1 5.217 0.030 . 1 . . . . 71 LEU HA . 11120 1 795 . 1 1 71 71 LEU HB2 H 1 1.666 0.030 . 2 . . . . 71 LEU HB2 . 11120 1 796 . 1 1 71 71 LEU HB3 H 1 1.564 0.030 . 2 . . . . 71 LEU HB3 . 11120 1 797 . 1 1 71 71 LEU HD11 H 1 0.845 0.030 . 1 . . . . 71 LEU HD1 . 11120 1 798 . 1 1 71 71 LEU HD12 H 1 0.845 0.030 . 1 . . . . 71 LEU HD1 . 11120 1 799 . 1 1 71 71 LEU HD13 H 1 0.845 0.030 . 1 . . . . 71 LEU HD1 . 11120 1 800 . 1 1 71 71 LEU HG H 1 1.538 0.030 . 1 . . . . 71 LEU HG . 11120 1 801 . 1 1 71 71 LEU C C 13 176.626 0.300 . 1 . . . . 71 LEU C . 11120 1 802 . 1 1 71 71 LEU CA C 13 54.235 0.300 . 1 . . . . 71 LEU CA . 11120 1 803 . 1 1 71 71 LEU CB C 13 44.093 0.300 . 1 . . . . 71 LEU CB . 11120 1 804 . 1 1 71 71 LEU CD1 C 13 24.751 0.300 . 2 . . . . 71 LEU CD1 . 11120 1 805 . 1 1 71 71 LEU CD2 C 13 24.983 0.300 . 2 . . . . 71 LEU CD2 . 11120 1 806 . 1 1 71 71 LEU CG C 13 27.750 0.300 . 1 . . . . 71 LEU CG . 11120 1 807 . 1 1 71 71 LEU N N 15 128.294 0.300 . 1 . . . . 71 LEU N . 11120 1 808 . 1 1 72 72 VAL H H 1 9.076 0.030 . 1 . . . . 72 VAL H . 11120 1 809 . 1 1 72 72 VAL HA H 1 4.795 0.030 . 1 . . . . 72 VAL HA . 11120 1 810 . 1 1 72 72 VAL HB H 1 2.382 0.030 . 1 . . . . 72 VAL HB . 11120 1 811 . 1 1 72 72 VAL HG11 H 1 1.095 0.030 . 1 . . . . 72 VAL HG1 . 11120 1 812 . 1 1 72 72 VAL HG12 H 1 1.095 0.030 . 1 . . . . 72 VAL HG1 . 11120 1 813 . 1 1 72 72 VAL HG13 H 1 1.095 0.030 . 1 . . . . 72 VAL HG1 . 11120 1 814 . 1 1 72 72 VAL HG21 H 1 1.194 0.030 . 1 . . . . 72 VAL HG2 . 11120 1 815 . 1 1 72 72 VAL HG22 H 1 1.194 0.030 . 1 . . . . 72 VAL HG2 . 11120 1 816 . 1 1 72 72 VAL HG23 H 1 1.194 0.030 . 1 . . . . 72 VAL HG2 . 11120 1 817 . 1 1 72 72 VAL C C 13 175.926 0.300 . 1 . . . . 72 VAL C . 11120 1 818 . 1 1 72 72 VAL CA C 13 59.424 0.300 . 1 . . . . 72 VAL CA . 11120 1 819 . 1 1 72 72 VAL CB C 13 35.157 0.300 . 1 . . . . 72 VAL CB . 11120 1 820 . 1 1 72 72 VAL CG1 C 13 22.076 0.300 . 2 . . . . 72 VAL CG1 . 11120 1 821 . 1 1 72 72 VAL CG2 C 13 20.616 0.300 . 2 . . . . 72 VAL CG2 . 11120 1 822 . 1 1 72 72 VAL N N 15 119.545 0.300 . 1 . . . . 72 VAL N . 11120 1 823 . 1 1 73 73 SER H H 1 8.562 0.030 . 1 . . . . 73 SER H . 11120 1 824 . 1 1 73 73 SER HA H 1 4.599 0.030 . 1 . . . . 73 SER HA . 11120 1 825 . 1 1 73 73 SER HB2 H 1 4.206 0.030 . 2 . . . . 73 SER HB2 . 11120 1 826 . 1 1 73 73 SER HB3 H 1 4.032 0.030 . 2 . . . . 73 SER HB3 . 11120 1 827 . 1 1 73 73 SER C C 13 174.742 0.300 . 1 . . . . 73 SER C . 11120 1 828 . 1 1 73 73 SER CA C 13 59.005 0.300 . 1 . . . . 73 SER CA . 11120 1 829 . 1 1 73 73 SER CB C 13 64.049 0.300 . 1 . . . . 73 SER CB . 11120 1 830 . 1 1 73 73 SER N N 15 118.025 0.300 . 1 . . . . 73 SER N . 11120 1 831 . 1 1 74 74 GLY H H 1 8.032 0.030 . 1 . . . . 74 GLY H . 11120 1 832 . 1 1 74 74 GLY HA2 H 1 3.874 0.030 . 2 . . . . 74 GLY HA2 . 11120 1 833 . 1 1 74 74 GLY HA3 H 1 3.685 0.030 . 2 . . . . 74 GLY HA3 . 11120 1 834 . 1 1 74 74 GLY C C 13 173.597 0.300 . 1 . . . . 74 GLY C . 11120 1 835 . 1 1 74 74 GLY CA C 13 46.338 0.300 . 1 . . . . 74 GLY CA . 11120 1 836 . 1 1 74 74 GLY N N 15 108.204 0.300 . 1 . . . . 74 GLY N . 11120 1 837 . 1 1 75 75 THR H H 1 7.758 0.030 . 1 . . . . 75 THR H . 11120 1 838 . 1 1 75 75 THR HA H 1 4.459 0.030 . 1 . . . . 75 THR HA . 11120 1 839 . 1 1 75 75 THR HB H 1 4.533 0.030 . 1 . . . . 75 THR HB . 11120 1 840 . 1 1 75 75 THR HG21 H 1 1.220 0.030 . 1 . . . . 75 THR HG2 . 11120 1 841 . 1 1 75 75 THR HG22 H 1 1.220 0.030 . 1 . . . . 75 THR HG2 . 11120 1 842 . 1 1 75 75 THR HG23 H 1 1.220 0.030 . 1 . . . . 75 THR HG2 . 11120 1 843 . 1 1 75 75 THR C C 13 174.237 0.300 . 1 . . . . 75 THR C . 11120 1 844 . 1 1 75 75 THR CA C 13 60.959 0.300 . 1 . . . . 75 THR CA . 11120 1 845 . 1 1 75 75 THR CB C 13 68.923 0.300 . 1 . . . . 75 THR CB . 11120 1 846 . 1 1 75 75 THR CG2 C 13 21.856 0.300 . 1 . . . . 75 THR CG2 . 11120 1 847 . 1 1 75 75 THR N N 15 107.566 0.300 . 1 . . . . 75 THR N . 11120 1 848 . 1 1 76 76 GLN H H 1 7.724 0.030 . 1 . . . . 76 GLN H . 11120 1 849 . 1 1 76 76 GLN HA H 1 4.326 0.030 . 1 . . . . 76 GLN HA . 11120 1 850 . 1 1 76 76 GLN HB2 H 1 2.243 0.030 . 1 . . . . 76 GLN HB2 . 11120 1 851 . 1 1 76 76 GLN HB3 H 1 2.243 0.030 . 1 . . . . 76 GLN HB3 . 11120 1 852 . 1 1 76 76 GLN HE21 H 1 7.968 0.030 . 2 . . . . 76 GLN HE21 . 11120 1 853 . 1 1 76 76 GLN HE22 H 1 7.055 0.030 . 2 . . . . 76 GLN HE22 . 11120 1 854 . 1 1 76 76 GLN HG2 H 1 2.473 0.030 . 2 . . . . 76 GLN HG2 . 11120 1 855 . 1 1 76 76 GLN HG3 H 1 2.568 0.030 . 2 . . . . 76 GLN HG3 . 11120 1 856 . 1 1 76 76 GLN C C 13 172.832 0.300 . 1 . . . . 76 GLN C . 11120 1 857 . 1 1 76 76 GLN CA C 13 55.793 0.300 . 1 . . . . 76 GLN CA . 11120 1 858 . 1 1 76 76 GLN CB C 13 31.057 0.300 . 1 . . . . 76 GLN CB . 11120 1 859 . 1 1 76 76 GLN CG C 13 34.364 0.300 . 1 . . . . 76 GLN CG . 11120 1 860 . 1 1 76 76 GLN N N 15 124.610 0.300 . 1 . . . . 76 GLN N . 11120 1 861 . 1 1 76 76 GLN NE2 N 15 113.493 0.300 . 1 . . . . 76 GLN NE2 . 11120 1 862 . 1 1 77 77 LEU H H 1 7.522 0.030 . 1 . . . . 77 LEU H . 11120 1 863 . 1 1 77 77 LEU HA H 1 3.268 0.030 . 1 . . . . 77 LEU HA . 11120 1 864 . 1 1 77 77 LEU HB2 H 1 1.732 0.030 . 2 . . . . 77 LEU HB2 . 11120 1 865 . 1 1 77 77 LEU HB3 H 1 0.953 0.030 . 2 . . . . 77 LEU HB3 . 11120 1 866 . 1 1 77 77 LEU HD11 H 1 0.856 0.030 . 1 . . . . 77 LEU HD1 . 11120 1 867 . 1 1 77 77 LEU HD12 H 1 0.856 0.030 . 1 . . . . 77 LEU HD1 . 11120 1 868 . 1 1 77 77 LEU HD13 H 1 0.856 0.030 . 1 . . . . 77 LEU HD1 . 11120 1 869 . 1 1 77 77 LEU HD21 H 1 0.575 0.030 . 1 . . . . 77 LEU HD2 . 11120 1 870 . 1 1 77 77 LEU HD22 H 1 0.575 0.030 . 1 . . . . 77 LEU HD2 . 11120 1 871 . 1 1 77 77 LEU HD23 H 1 0.575 0.030 . 1 . . . . 77 LEU HD2 . 11120 1 872 . 1 1 77 77 LEU HG H 1 1.285 0.030 . 1 . . . . 77 LEU HG . 11120 1 873 . 1 1 77 77 LEU C C 13 174.102 0.300 . 1 . . . . 77 LEU C . 11120 1 874 . 1 1 77 77 LEU CA C 13 52.617 0.300 . 1 . . . . 77 LEU CA . 11120 1 875 . 1 1 77 77 LEU CB C 13 41.326 0.300 . 1 . . . . 77 LEU CB . 11120 1 876 . 1 1 77 77 LEU CD1 C 13 26.103 0.300 . 2 . . . . 77 LEU CD1 . 11120 1 877 . 1 1 77 77 LEU CD2 C 13 22.530 0.300 . 2 . . . . 77 LEU CD2 . 11120 1 878 . 1 1 77 77 LEU CG C 13 26.725 0.300 . 1 . . . . 77 LEU CG . 11120 1 879 . 1 1 77 77 LEU N N 15 119.139 0.300 . 1 . . . . 77 LEU N . 11120 1 880 . 1 1 78 78 SER H H 1 6.724 0.030 . 1 . . . . 78 SER H . 11120 1 881 . 1 1 78 78 SER HA H 1 4.647 0.030 . 1 . . . . 78 SER HA . 11120 1 882 . 1 1 78 78 SER HB2 H 1 3.561 0.030 . 2 . . . . 78 SER HB2 . 11120 1 883 . 1 1 78 78 SER HB3 H 1 3.347 0.030 . 2 . . . . 78 SER HB3 . 11120 1 884 . 1 1 78 78 SER C C 13 173.829 0.300 . 1 . . . . 78 SER C . 11120 1 885 . 1 1 78 78 SER CA C 13 56.242 0.300 . 1 . . . . 78 SER CA . 11120 1 886 . 1 1 78 78 SER CB C 13 66.255 0.300 . 1 . . . . 78 SER CB . 11120 1 887 . 1 1 78 78 SER N N 15 109.274 0.300 . 1 . . . . 78 SER N . 11120 1 888 . 1 1 79 79 GLN H H 1 8.603 0.030 . 1 . . . . 79 GLN H . 11120 1 889 . 1 1 79 79 GLN HA H 1 4.384 0.030 . 1 . . . . 79 GLN HA . 11120 1 890 . 1 1 79 79 GLN HB2 H 1 1.587 0.030 . 2 . . . . 79 GLN HB2 . 11120 1 891 . 1 1 79 79 GLN HB3 H 1 2.385 0.030 . 2 . . . . 79 GLN HB3 . 11120 1 892 . 1 1 79 79 GLN HE21 H 1 7.588 0.030 . 2 . . . . 79 GLN HE21 . 11120 1 893 . 1 1 79 79 GLN HE22 H 1 6.899 0.030 . 2 . . . . 79 GLN HE22 . 11120 1 894 . 1 1 79 79 GLN HG2 H 1 1.987 0.030 . 2 . . . . 79 GLN HG2 . 11120 1 895 . 1 1 79 79 GLN HG3 H 1 2.064 0.030 . 2 . . . . 79 GLN HG3 . 11120 1 896 . 1 1 79 79 GLN C C 13 172.921 0.300 . 1 . . . . 79 GLN C . 11120 1 897 . 1 1 79 79 GLN CA C 13 55.476 0.300 . 1 . . . . 79 GLN CA . 11120 1 898 . 1 1 79 79 GLN CB C 13 32.250 0.300 . 1 . . . . 79 GLN CB . 11120 1 899 . 1 1 79 79 GLN CG C 13 33.217 0.300 . 1 . . . . 79 GLN CG . 11120 1 900 . 1 1 79 79 GLN N N 15 119.055 0.300 . 1 . . . . 79 GLN N . 11120 1 901 . 1 1 79 79 GLN NE2 N 15 112.593 0.300 . 1 . . . . 79 GLN NE2 . 11120 1 902 . 1 1 80 80 LEU H H 1 8.657 0.030 . 1 . . . . 80 LEU H . 11120 1 903 . 1 1 80 80 LEU HA H 1 4.565 0.030 . 1 . . . . 80 LEU HA . 11120 1 904 . 1 1 80 80 LEU HB2 H 1 1.856 0.030 . 2 . . . . 80 LEU HB2 . 11120 1 905 . 1 1 80 80 LEU HB3 H 1 1.264 0.030 . 2 . . . . 80 LEU HB3 . 11120 1 906 . 1 1 80 80 LEU HD11 H 1 0.654 0.030 . 1 . . . . 80 LEU HD1 . 11120 1 907 . 1 1 80 80 LEU HD12 H 1 0.654 0.030 . 1 . . . . 80 LEU HD1 . 11120 1 908 . 1 1 80 80 LEU HD13 H 1 0.654 0.030 . 1 . . . . 80 LEU HD1 . 11120 1 909 . 1 1 80 80 LEU HD21 H 1 0.799 0.030 . 1 . . . . 80 LEU HD2 . 11120 1 910 . 1 1 80 80 LEU HD22 H 1 0.799 0.030 . 1 . . . . 80 LEU HD2 . 11120 1 911 . 1 1 80 80 LEU HD23 H 1 0.799 0.030 . 1 . . . . 80 LEU HD2 . 11120 1 912 . 1 1 80 80 LEU HG H 1 1.144 0.030 . 1 . . . . 80 LEU HG . 11120 1 913 . 1 1 80 80 LEU C C 13 175.478 0.300 . 1 . . . . 80 LEU C . 11120 1 914 . 1 1 80 80 LEU CA C 13 54.746 0.300 . 1 . . . . 80 LEU CA . 11120 1 915 . 1 1 80 80 LEU CB C 13 42.556 0.300 . 1 . . . . 80 LEU CB . 11120 1 916 . 1 1 80 80 LEU CD1 C 13 22.814 0.300 . 2 . . . . 80 LEU CD1 . 11120 1 917 . 1 1 80 80 LEU CD2 C 13 25.904 0.300 . 2 . . . . 80 LEU CD2 . 11120 1 918 . 1 1 80 80 LEU CG C 13 27.327 0.300 . 1 . . . . 80 LEU CG . 11120 1 919 . 1 1 80 80 LEU N N 15 130.514 0.300 . 1 . . . . 80 LEU N . 11120 1 920 . 1 1 81 81 ILE H H 1 9.032 0.030 . 1 . . . . 81 ILE H . 11120 1 921 . 1 1 81 81 ILE HA H 1 4.308 0.030 . 1 . . . . 81 ILE HA . 11120 1 922 . 1 1 81 81 ILE HB H 1 1.917 0.030 . 1 . . . . 81 ILE HB . 11120 1 923 . 1 1 81 81 ILE HD11 H 1 0.656 0.030 . 1 . . . . 81 ILE HD1 . 11120 1 924 . 1 1 81 81 ILE HD12 H 1 0.656 0.030 . 1 . . . . 81 ILE HD1 . 11120 1 925 . 1 1 81 81 ILE HD13 H 1 0.656 0.030 . 1 . . . . 81 ILE HD1 . 11120 1 926 . 1 1 81 81 ILE HG12 H 1 1.431 0.030 . 2 . . . . 81 ILE HG12 . 11120 1 927 . 1 1 81 81 ILE HG13 H 1 1.078 0.030 . 2 . . . . 81 ILE HG13 . 11120 1 928 . 1 1 81 81 ILE HG21 H 1 0.429 0.030 . 1 . . . . 81 ILE HG2 . 11120 1 929 . 1 1 81 81 ILE HG22 H 1 0.429 0.030 . 1 . . . . 81 ILE HG2 . 11120 1 930 . 1 1 81 81 ILE HG23 H 1 0.429 0.030 . 1 . . . . 81 ILE HG2 . 11120 1 931 . 1 1 81 81 ILE C C 13 174.468 0.300 . 1 . . . . 81 ILE C . 11120 1 932 . 1 1 81 81 ILE CA C 13 59.040 0.300 . 1 . . . . 81 ILE CA . 11120 1 933 . 1 1 81 81 ILE CB C 13 35.711 0.300 . 1 . . . . 81 ILE CB . 11120 1 934 . 1 1 81 81 ILE CD1 C 13 10.183 0.300 . 1 . . . . 81 ILE CD1 . 11120 1 935 . 1 1 81 81 ILE CG1 C 13 26.533 0.300 . 1 . . . . 81 ILE CG1 . 11120 1 936 . 1 1 81 81 ILE CG2 C 13 17.161 0.300 . 1 . . . . 81 ILE CG2 . 11120 1 937 . 1 1 81 81 ILE N N 15 132.238 0.300 . 1 . . . . 81 ILE N . 11120 1 938 . 1 1 82 82 GLU H H 1 8.326 0.030 . 1 . . . . 82 GLU H . 11120 1 939 . 1 1 82 82 GLU HA H 1 4.917 0.030 . 1 . . . . 82 GLU HA . 11120 1 940 . 1 1 82 82 GLU HB2 H 1 1.893 0.030 . 2 . . . . 82 GLU HB2 . 11120 1 941 . 1 1 82 82 GLU HB3 H 1 2.100 0.030 . 2 . . . . 82 GLU HB3 . 11120 1 942 . 1 1 82 82 GLU HG2 H 1 2.037 0.030 . 2 . . . . 82 GLU HG2 . 11120 1 943 . 1 1 82 82 GLU HG3 H 1 1.967 0.030 . 2 . . . . 82 GLU HG3 . 11120 1 944 . 1 1 82 82 GLU C C 13 175.536 0.300 . 1 . . . . 82 GLU C . 11120 1 945 . 1 1 82 82 GLU CA C 13 54.253 0.300 . 1 . . . . 82 GLU CA . 11120 1 946 . 1 1 82 82 GLU CB C 13 32.992 0.300 . 1 . . . . 82 GLU CB . 11120 1 947 . 1 1 82 82 GLU CG C 13 38.051 0.300 . 1 . . . . 82 GLU CG . 11120 1 948 . 1 1 82 82 GLU N N 15 124.707 0.300 . 1 . . . . 82 GLU N . 11120 1 949 . 1 1 83 83 GLY H H 1 8.340 0.030 . 1 . . . . 83 GLY H . 11120 1 950 . 1 1 83 83 GLY HA2 H 1 3.970 0.030 . 2 . . . . 83 GLY HA2 . 11120 1 951 . 1 1 83 83 GLY HA3 H 1 3.805 0.030 . 2 . . . . 83 GLY HA3 . 11120 1 952 . 1 1 83 83 GLY C C 13 175.269 0.300 . 1 . . . . 83 GLY C . 11120 1 953 . 1 1 83 83 GLY CA C 13 46.193 0.300 . 1 . . . . 83 GLY CA . 11120 1 954 . 1 1 83 83 GLY N N 15 106.484 0.300 . 1 . . . . 83 GLY N . 11120 1 955 . 1 1 84 84 LEU H H 1 8.322 0.030 . 1 . . . . 84 LEU H . 11120 1 956 . 1 1 84 84 LEU HA H 1 4.242 0.030 . 1 . . . . 84 LEU HA . 11120 1 957 . 1 1 84 84 LEU HB2 H 1 1.313 0.030 . 2 . . . . 84 LEU HB2 . 11120 1 958 . 1 1 84 84 LEU HB3 H 1 1.093 0.030 . 2 . . . . 84 LEU HB3 . 11120 1 959 . 1 1 84 84 LEU HD11 H 1 0.094 0.030 . 1 . . . . 84 LEU HD1 . 11120 1 960 . 1 1 84 84 LEU HD12 H 1 0.094 0.030 . 1 . . . . 84 LEU HD1 . 11120 1 961 . 1 1 84 84 LEU HD13 H 1 0.094 0.030 . 1 . . . . 84 LEU HD1 . 11120 1 962 . 1 1 84 84 LEU HD21 H 1 0.012 0.030 . 1 . . . . 84 LEU HD2 . 11120 1 963 . 1 1 84 84 LEU HD22 H 1 0.012 0.030 . 1 . . . . 84 LEU HD2 . 11120 1 964 . 1 1 84 84 LEU HD23 H 1 0.012 0.030 . 1 . . . . 84 LEU HD2 . 11120 1 965 . 1 1 84 84 LEU HG H 1 1.083 0.030 . 1 . . . . 84 LEU HG . 11120 1 966 . 1 1 84 84 LEU C C 13 175.779 0.300 . 1 . . . . 84 LEU C . 11120 1 967 . 1 1 84 84 LEU CA C 13 53.701 0.300 . 1 . . . . 84 LEU CA . 11120 1 968 . 1 1 84 84 LEU CB C 13 41.008 0.300 . 1 . . . . 84 LEU CB . 11120 1 969 . 1 1 84 84 LEU CD1 C 13 25.181 0.300 . 2 . . . . 84 LEU CD1 . 11120 1 970 . 1 1 84 84 LEU CD2 C 13 19.587 0.300 . 2 . . . . 84 LEU CD2 . 11120 1 971 . 1 1 84 84 LEU CG C 13 25.978 0.300 . 1 . . . . 84 LEU CG . 11120 1 972 . 1 1 84 84 LEU N N 15 120.007 0.300 . 1 . . . . 84 LEU N . 11120 1 973 . 1 1 85 85 ASP H H 1 8.476 0.030 . 1 . . . . 85 ASP H . 11120 1 974 . 1 1 85 85 ASP HA H 1 4.779 0.030 . 1 . . . . 85 ASP HA . 11120 1 975 . 1 1 85 85 ASP HB2 H 1 2.746 0.030 . 2 . . . . 85 ASP HB2 . 11120 1 976 . 1 1 85 85 ASP HB3 H 1 2.613 0.030 . 2 . . . . 85 ASP HB3 . 11120 1 977 . 1 1 85 85 ASP C C 13 176.313 0.300 . 1 . . . . 85 ASP C . 11120 1 978 . 1 1 85 85 ASP CA C 13 53.916 0.300 . 1 . . . . 85 ASP CA . 11120 1 979 . 1 1 85 85 ASP CB C 13 42.256 0.300 . 1 . . . . 85 ASP CB . 11120 1 980 . 1 1 85 85 ASP N N 15 119.741 0.300 . 1 . . . . 85 ASP N . 11120 1 981 . 1 1 86 86 ARG H H 1 8.244 0.030 . 1 . . . . 86 ARG H . 11120 1 982 . 1 1 86 86 ARG HA H 1 5.178 0.030 . 1 . . . . 86 ARG HA . 11120 1 983 . 1 1 86 86 ARG HB2 H 1 2.045 0.030 . 2 . . . . 86 ARG HB2 . 11120 1 984 . 1 1 86 86 ARG HB3 H 1 1.872 0.030 . 2 . . . . 86 ARG HB3 . 11120 1 985 . 1 1 86 86 ARG HD2 H 1 3.307 0.030 . 2 . . . . 86 ARG HD2 . 11120 1 986 . 1 1 86 86 ARG HD3 H 1 3.260 0.030 . 2 . . . . 86 ARG HD3 . 11120 1 987 . 1 1 86 86 ARG HG2 H 1 1.691 0.030 . 2 . . . . 86 ARG HG2 . 11120 1 988 . 1 1 86 86 ARG HG3 H 1 1.629 0.030 . 2 . . . . 86 ARG HG3 . 11120 1 989 . 1 1 86 86 ARG C C 13 178.947 0.300 . 1 . . . . 86 ARG C . 11120 1 990 . 1 1 86 86 ARG CA C 13 55.867 0.300 . 1 . . . . 86 ARG CA . 11120 1 991 . 1 1 86 86 ARG CB C 13 31.076 0.300 . 1 . . . . 86 ARG CB . 11120 1 992 . 1 1 86 86 ARG CD C 13 43.755 0.300 . 1 . . . . 86 ARG CD . 11120 1 993 . 1 1 86 86 ARG CG C 13 26.643 0.300 . 1 . . . . 86 ARG CG . 11120 1 994 . 1 1 86 86 ARG N N 15 120.089 0.300 . 1 . . . . 86 ARG N . 11120 1 995 . 1 1 87 87 GLY H H 1 7.704 0.030 . 1 . . . . 87 GLY H . 11120 1 996 . 1 1 87 87 GLY HA2 H 1 3.886 0.030 . 2 . . . . 87 GLY HA2 . 11120 1 997 . 1 1 87 87 GLY HA3 H 1 3.739 0.030 . 2 . . . . 87 GLY HA3 . 11120 1 998 . 1 1 87 87 GLY C C 13 174.668 0.300 . 1 . . . . 87 GLY C . 11120 1 999 . 1 1 87 87 GLY CA C 13 47.782 0.300 . 1 . . . . 87 GLY CA . 11120 1 1000 . 1 1 87 87 GLY N N 15 116.206 0.300 . 1 . . . . 87 GLY N . 11120 1 1001 . 1 1 88 88 THR H H 1 8.247 0.030 . 1 . . . . 88 THR H . 11120 1 1002 . 1 1 88 88 THR HA H 1 4.477 0.030 . 1 . . . . 88 THR HA . 11120 1 1003 . 1 1 88 88 THR HB H 1 3.854 0.030 . 1 . . . . 88 THR HB . 11120 1 1004 . 1 1 88 88 THR HG21 H 1 0.715 0.030 . 1 . . . . 88 THR HG2 . 11120 1 1005 . 1 1 88 88 THR HG22 H 1 0.715 0.030 . 1 . . . . 88 THR HG2 . 11120 1 1006 . 1 1 88 88 THR HG23 H 1 0.715 0.030 . 1 . . . . 88 THR HG2 . 11120 1 1007 . 1 1 88 88 THR C C 13 171.759 0.300 . 1 . . . . 88 THR C . 11120 1 1008 . 1 1 88 88 THR CA C 13 62.991 0.300 . 1 . . . . 88 THR CA . 11120 1 1009 . 1 1 88 88 THR CB C 13 72.377 0.300 . 1 . . . . 88 THR CB . 11120 1 1010 . 1 1 88 88 THR CG2 C 13 20.988 0.300 . 1 . . . . 88 THR CG2 . 11120 1 1011 . 1 1 88 88 THR N N 15 114.518 0.300 . 1 . . . . 88 THR N . 11120 1 1012 . 1 1 89 89 GLU H H 1 8.570 0.030 . 1 . . . . 89 GLU H . 11120 1 1013 . 1 1 89 89 GLU HA H 1 4.655 0.030 . 1 . . . . 89 GLU HA . 11120 1 1014 . 1 1 89 89 GLU HB2 H 1 1.883 0.030 . 1 . . . . 89 GLU HB2 . 11120 1 1015 . 1 1 89 89 GLU HB3 H 1 1.883 0.030 . 1 . . . . 89 GLU HB3 . 11120 1 1016 . 1 1 89 89 GLU HG2 H 1 2.189 0.030 . 2 . . . . 89 GLU HG2 . 11120 1 1017 . 1 1 89 89 GLU HG3 H 1 1.830 0.030 . 2 . . . . 89 GLU HG3 . 11120 1 1018 . 1 1 89 89 GLU C C 13 175.052 0.300 . 1 . . . . 89 GLU C . 11120 1 1019 . 1 1 89 89 GLU CA C 13 56.151 0.300 . 1 . . . . 89 GLU CA . 11120 1 1020 . 1 1 89 89 GLU CB C 13 30.293 0.300 . 1 . . . . 89 GLU CB . 11120 1 1021 . 1 1 89 89 GLU CG C 13 36.457 0.300 . 1 . . . . 89 GLU CG . 11120 1 1022 . 1 1 89 89 GLU N N 15 126.468 0.300 . 1 . . . . 89 GLU N . 11120 1 1023 . 1 1 90 90 TYR H H 1 9.464 0.030 . 1 . . . . 90 TYR H . 11120 1 1024 . 1 1 90 90 TYR HA H 1 5.007 0.030 . 1 . . . . 90 TYR HA . 11120 1 1025 . 1 1 90 90 TYR HB2 H 1 2.684 0.030 . 2 . . . . 90 TYR HB2 . 11120 1 1026 . 1 1 90 90 TYR HB3 H 1 2.463 0.030 . 2 . . . . 90 TYR HB3 . 11120 1 1027 . 1 1 90 90 TYR HD1 H 1 7.240 0.030 . 1 . . . . 90 TYR HD1 . 11120 1 1028 . 1 1 90 90 TYR HD2 H 1 7.240 0.030 . 1 . . . . 90 TYR HD2 . 11120 1 1029 . 1 1 90 90 TYR HE1 H 1 6.863 0.030 . 1 . . . . 90 TYR HE1 . 11120 1 1030 . 1 1 90 90 TYR HE2 H 1 6.863 0.030 . 1 . . . . 90 TYR HE2 . 11120 1 1031 . 1 1 90 90 TYR C C 13 174.588 0.300 . 1 . . . . 90 TYR C . 11120 1 1032 . 1 1 90 90 TYR CA C 13 57.541 0.300 . 1 . . . . 90 TYR CA . 11120 1 1033 . 1 1 90 90 TYR CB C 13 45.043 0.300 . 1 . . . . 90 TYR CB . 11120 1 1034 . 1 1 90 90 TYR CE1 C 13 118.789 0.300 . 1 . . . . 90 TYR CE1 . 11120 1 1035 . 1 1 90 90 TYR CE2 C 13 118.789 0.300 . 1 . . . . 90 TYR CE2 . 11120 1 1036 . 1 1 90 90 TYR N N 15 128.931 0.300 . 1 . . . . 90 TYR N . 11120 1 1037 . 1 1 91 91 ASN H H 1 9.148 0.030 . 1 . . . . 91 ASN H . 11120 1 1038 . 1 1 91 91 ASN HA H 1 5.759 0.030 . 1 . . . . 91 ASN HA . 11120 1 1039 . 1 1 91 91 ASN HB2 H 1 2.703 0.030 . 2 . . . . 91 ASN HB2 . 11120 1 1040 . 1 1 91 91 ASN HB3 H 1 2.045 0.030 . 2 . . . . 91 ASN HB3 . 11120 1 1041 . 1 1 91 91 ASN HD21 H 1 6.864 0.030 . 1 . . . . 91 ASN HD21 . 11120 1 1042 . 1 1 91 91 ASN HD22 H 1 6.864 0.030 . 1 . . . . 91 ASN HD22 . 11120 1 1043 . 1 1 91 91 ASN C C 13 173.593 0.300 . 1 . . . . 91 ASN C . 11120 1 1044 . 1 1 91 91 ASN CA C 13 50.522 0.300 . 1 . . . . 91 ASN CA . 11120 1 1045 . 1 1 91 91 ASN CB C 13 43.383 0.300 . 1 . . . . 91 ASN CB . 11120 1 1046 . 1 1 91 91 ASN N N 15 116.377 0.300 . 1 . . . . 91 ASN N . 11120 1 1047 . 1 1 91 91 ASN ND2 N 15 108.252 0.300 . 1 . . . . 91 ASN ND2 . 11120 1 1048 . 1 1 92 92 PHE H H 1 9.771 0.030 . 1 . . . . 92 PHE H . 11120 1 1049 . 1 1 92 92 PHE HA H 1 5.866 0.030 . 1 . . . . 92 PHE HA . 11120 1 1050 . 1 1 92 92 PHE HB2 H 1 2.968 0.030 . 2 . . . . 92 PHE HB2 . 11120 1 1051 . 1 1 92 92 PHE HB3 H 1 2.849 0.030 . 2 . . . . 92 PHE HB3 . 11120 1 1052 . 1 1 92 92 PHE HD1 H 1 7.124 0.030 . 1 . . . . 92 PHE HD1 . 11120 1 1053 . 1 1 92 92 PHE HD2 H 1 7.124 0.030 . 1 . . . . 92 PHE HD2 . 11120 1 1054 . 1 1 92 92 PHE HE1 H 1 6.768 0.030 . 1 . . . . 92 PHE HE1 . 11120 1 1055 . 1 1 92 92 PHE HE2 H 1 6.768 0.030 . 1 . . . . 92 PHE HE2 . 11120 1 1056 . 1 1 92 92 PHE HZ H 1 6.502 0.030 . 1 . . . . 92 PHE HZ . 11120 1 1057 . 1 1 92 92 PHE C C 13 174.986 0.300 . 1 . . . . 92 PHE C . 11120 1 1058 . 1 1 92 92 PHE CA C 13 57.438 0.300 . 1 . . . . 92 PHE CA . 11120 1 1059 . 1 1 92 92 PHE CB C 13 45.226 0.300 . 1 . . . . 92 PHE CB . 11120 1 1060 . 1 1 92 92 PHE CD1 C 13 133.000 0.300 . 1 . . . . 92 PHE CD1 . 11120 1 1061 . 1 1 92 92 PHE CD2 C 13 133.000 0.300 . 1 . . . . 92 PHE CD2 . 11120 1 1062 . 1 1 92 92 PHE CE1 C 13 130.646 0.300 . 1 . . . . 92 PHE CE1 . 11120 1 1063 . 1 1 92 92 PHE CE2 C 13 130.646 0.300 . 1 . . . . 92 PHE CE2 . 11120 1 1064 . 1 1 92 92 PHE CZ C 13 128.284 0.300 . 1 . . . . 92 PHE CZ . 11120 1 1065 . 1 1 92 92 PHE N N 15 119.289 0.300 . 1 . . . . 92 PHE N . 11120 1 1066 . 1 1 93 93 ARG H H 1 9.227 0.030 . 1 . . . . 93 ARG H . 11120 1 1067 . 1 1 93 93 ARG HA H 1 4.421 0.030 . 1 . . . . 93 ARG HA . 11120 1 1068 . 1 1 93 93 ARG HB2 H 1 1.431 0.030 . 2 . . . . 93 ARG HB2 . 11120 1 1069 . 1 1 93 93 ARG HB3 H 1 0.783 0.030 . 2 . . . . 93 ARG HB3 . 11120 1 1070 . 1 1 93 93 ARG HD2 H 1 1.837 0.030 . 2 . . . . 93 ARG HD2 . 11120 1 1071 . 1 1 93 93 ARG HD3 H 1 0.420 0.030 . 2 . . . . 93 ARG HD3 . 11120 1 1072 . 1 1 93 93 ARG HG2 H 1 0.778 0.030 . 2 . . . . 93 ARG HG2 . 11120 1 1073 . 1 1 93 93 ARG HG3 H 1 0.689 0.030 . 2 . . . . 93 ARG HG3 . 11120 1 1074 . 1 1 93 93 ARG C C 13 172.984 0.300 . 1 . . . . 93 ARG C . 11120 1 1075 . 1 1 93 93 ARG CA C 13 55.274 0.300 . 1 . . . . 93 ARG CA . 11120 1 1076 . 1 1 93 93 ARG CB C 13 32.580 0.300 . 1 . . . . 93 ARG CB . 11120 1 1077 . 1 1 93 93 ARG CD C 13 41.909 0.300 . 1 . . . . 93 ARG CD . 11120 1 1078 . 1 1 93 93 ARG CG C 13 23.041 0.300 . 1 . . . . 93 ARG CG . 11120 1 1079 . 1 1 93 93 ARG N N 15 116.074 0.300 . 1 . . . . 93 ARG N . 11120 1 1080 . 1 1 94 94 VAL H H 1 7.591 0.030 . 1 . . . . 94 VAL H . 11120 1 1081 . 1 1 94 94 VAL HA H 1 5.157 0.030 . 1 . . . . 94 VAL HA . 11120 1 1082 . 1 1 94 94 VAL HB H 1 1.188 0.030 . 1 . . . . 94 VAL HB . 11120 1 1083 . 1 1 94 94 VAL HG11 H 1 -0.017 0.030 . 1 . . . . 94 VAL HG1 . 11120 1 1084 . 1 1 94 94 VAL HG12 H 1 -0.017 0.030 . 1 . . . . 94 VAL HG1 . 11120 1 1085 . 1 1 94 94 VAL HG13 H 1 -0.017 0.030 . 1 . . . . 94 VAL HG1 . 11120 1 1086 . 1 1 94 94 VAL HG21 H 1 0.254 0.030 . 1 . . . . 94 VAL HG2 . 11120 1 1087 . 1 1 94 94 VAL HG22 H 1 0.254 0.030 . 1 . . . . 94 VAL HG2 . 11120 1 1088 . 1 1 94 94 VAL HG23 H 1 0.254 0.030 . 1 . . . . 94 VAL HG2 . 11120 1 1089 . 1 1 94 94 VAL C C 13 172.951 0.300 . 1 . . . . 94 VAL C . 11120 1 1090 . 1 1 94 94 VAL CA C 13 60.201 0.300 . 1 . . . . 94 VAL CA . 11120 1 1091 . 1 1 94 94 VAL CB C 13 35.973 0.300 . 1 . . . . 94 VAL CB . 11120 1 1092 . 1 1 94 94 VAL CG1 C 13 20.539 0.300 . 2 . . . . 94 VAL CG1 . 11120 1 1093 . 1 1 94 94 VAL CG2 C 13 22.402 0.300 . 2 . . . . 94 VAL CG2 . 11120 1 1094 . 1 1 94 94 VAL N N 15 117.509 0.300 . 1 . . . . 94 VAL N . 11120 1 1095 . 1 1 95 95 ALA H H 1 8.439 0.030 . 1 . . . . 95 ALA H . 11120 1 1096 . 1 1 95 95 ALA HA H 1 4.644 0.030 . 1 . . . . 95 ALA HA . 11120 1 1097 . 1 1 95 95 ALA HB1 H 1 1.125 0.030 . 1 . . . . 95 ALA HB . 11120 1 1098 . 1 1 95 95 ALA HB2 H 1 1.125 0.030 . 1 . . . . 95 ALA HB . 11120 1 1099 . 1 1 95 95 ALA HB3 H 1 1.125 0.030 . 1 . . . . 95 ALA HB . 11120 1 1100 . 1 1 95 95 ALA C C 13 175.066 0.300 . 1 . . . . 95 ALA C . 11120 1 1101 . 1 1 95 95 ALA CA C 13 51.086 0.300 . 1 . . . . 95 ALA CA . 11120 1 1102 . 1 1 95 95 ALA CB C 13 23.810 0.300 . 1 . . . . 95 ALA CB . 11120 1 1103 . 1 1 95 95 ALA N N 15 127.640 0.300 . 1 . . . . 95 ALA N . 11120 1 1104 . 1 1 96 96 ALA H H 1 8.756 0.030 . 1 . . . . 96 ALA H . 11120 1 1105 . 1 1 96 96 ALA HA H 1 4.649 0.030 . 1 . . . . 96 ALA HA . 11120 1 1106 . 1 1 96 96 ALA HB1 H 1 1.345 0.030 . 1 . . . . 96 ALA HB . 11120 1 1107 . 1 1 96 96 ALA HB2 H 1 1.345 0.030 . 1 . . . . 96 ALA HB . 11120 1 1108 . 1 1 96 96 ALA HB3 H 1 1.345 0.030 . 1 . . . . 96 ALA HB . 11120 1 1109 . 1 1 96 96 ALA C C 13 174.808 0.300 . 1 . . . . 96 ALA C . 11120 1 1110 . 1 1 96 96 ALA CA C 13 51.198 0.300 . 1 . . . . 96 ALA CA . 11120 1 1111 . 1 1 96 96 ALA CB C 13 21.257 0.300 . 1 . . . . 96 ALA CB . 11120 1 1112 . 1 1 96 96 ALA N N 15 123.203 0.300 . 1 . . . . 96 ALA N . 11120 1 1113 . 1 1 97 97 LEU H H 1 8.183 0.030 . 1 . . . . 97 LEU H . 11120 1 1114 . 1 1 97 97 LEU HA H 1 5.013 0.030 . 1 . . . . 97 LEU HA . 11120 1 1115 . 1 1 97 97 LEU HB2 H 1 1.461 0.030 . 2 . . . . 97 LEU HB2 . 11120 1 1116 . 1 1 97 97 LEU HB3 H 1 1.146 0.030 . 2 . . . . 97 LEU HB3 . 11120 1 1117 . 1 1 97 97 LEU HD11 H 1 0.606 0.030 . 1 . . . . 97 LEU HD1 . 11120 1 1118 . 1 1 97 97 LEU HD12 H 1 0.606 0.030 . 1 . . . . 97 LEU HD1 . 11120 1 1119 . 1 1 97 97 LEU HD13 H 1 0.606 0.030 . 1 . . . . 97 LEU HD1 . 11120 1 1120 . 1 1 97 97 LEU HD21 H 1 0.649 0.030 . 1 . . . . 97 LEU HD2 . 11120 1 1121 . 1 1 97 97 LEU HD22 H 1 0.649 0.030 . 1 . . . . 97 LEU HD2 . 11120 1 1122 . 1 1 97 97 LEU HD23 H 1 0.649 0.030 . 1 . . . . 97 LEU HD2 . 11120 1 1123 . 1 1 97 97 LEU HG H 1 1.357 0.030 . 1 . . . . 97 LEU HG . 11120 1 1124 . 1 1 97 97 LEU C C 13 176.502 0.300 . 1 . . . . 97 LEU C . 11120 1 1125 . 1 1 97 97 LEU CA C 13 54.409 0.300 . 1 . . . . 97 LEU CA . 11120 1 1126 . 1 1 97 97 LEU CB C 13 44.299 0.300 . 1 . . . . 97 LEU CB . 11120 1 1127 . 1 1 97 97 LEU CD1 C 13 25.792 0.300 . 2 . . . . 97 LEU CD1 . 11120 1 1128 . 1 1 97 97 LEU CD2 C 13 26.496 0.300 . 2 . . . . 97 LEU CD2 . 11120 1 1129 . 1 1 97 97 LEU CG C 13 27.423 0.300 . 1 . . . . 97 LEU CG . 11120 1 1130 . 1 1 97 97 LEU N N 15 119.527 0.300 . 1 . . . . 97 LEU N . 11120 1 1131 . 1 1 98 98 THR H H 1 8.264 0.030 . 1 . . . . 98 THR H . 11120 1 1132 . 1 1 98 98 THR HA H 1 5.048 0.030 . 1 . . . . 98 THR HA . 11120 1 1133 . 1 1 98 98 THR HB H 1 4.611 0.030 . 1 . . . . 98 THR HB . 11120 1 1134 . 1 1 98 98 THR HG21 H 1 1.015 0.030 . 1 . . . . 98 THR HG2 . 11120 1 1135 . 1 1 98 98 THR HG22 H 1 1.015 0.030 . 1 . . . . 98 THR HG2 . 11120 1 1136 . 1 1 98 98 THR HG23 H 1 1.015 0.030 . 1 . . . . 98 THR HG2 . 11120 1 1137 . 1 1 98 98 THR C C 13 176.884 0.300 . 1 . . . . 98 THR C . 11120 1 1138 . 1 1 98 98 THR CA C 13 59.767 0.300 . 1 . . . . 98 THR CA . 11120 1 1139 . 1 1 98 98 THR CB C 13 73.319 0.300 . 1 . . . . 98 THR CB . 11120 1 1140 . 1 1 98 98 THR CG2 C 13 21.481 0.300 . 1 . . . . 98 THR CG2 . 11120 1 1141 . 1 1 98 98 THR N N 15 109.360 0.300 . 1 . . . . 98 THR N . 11120 1 1142 . 1 1 99 99 ILE H H 1 8.995 0.030 . 1 . . . . 99 ILE H . 11120 1 1143 . 1 1 99 99 ILE HA H 1 4.089 0.030 . 1 . . . . 99 ILE HA . 11120 1 1144 . 1 1 99 99 ILE HB H 1 1.904 0.030 . 1 . . . . 99 ILE HB . 11120 1 1145 . 1 1 99 99 ILE HD11 H 1 0.904 0.030 . 1 . . . . 99 ILE HD1 . 11120 1 1146 . 1 1 99 99 ILE HD12 H 1 0.904 0.030 . 1 . . . . 99 ILE HD1 . 11120 1 1147 . 1 1 99 99 ILE HD13 H 1 0.904 0.030 . 1 . . . . 99 ILE HD1 . 11120 1 1148 . 1 1 99 99 ILE HG12 H 1 1.446 0.030 . 2 . . . . 99 ILE HG12 . 11120 1 1149 . 1 1 99 99 ILE HG13 H 1 1.305 0.030 . 2 . . . . 99 ILE HG13 . 11120 1 1150 . 1 1 99 99 ILE HG21 H 1 0.954 0.030 . 1 . . . . 99 ILE HG2 . 11120 1 1151 . 1 1 99 99 ILE HG22 H 1 0.954 0.030 . 1 . . . . 99 ILE HG2 . 11120 1 1152 . 1 1 99 99 ILE HG23 H 1 0.954 0.030 . 1 . . . . 99 ILE HG2 . 11120 1 1153 . 1 1 99 99 ILE C C 13 175.992 0.300 . 1 . . . . 99 ILE C . 11120 1 1154 . 1 1 99 99 ILE CA C 13 63.116 0.300 . 1 . . . . 99 ILE CA . 11120 1 1155 . 1 1 99 99 ILE CB C 13 38.471 0.300 . 1 . . . . 99 ILE CB . 11120 1 1156 . 1 1 99 99 ILE CD1 C 13 14.012 0.300 . 1 . . . . 99 ILE CD1 . 11120 1 1157 . 1 1 99 99 ILE CG1 C 13 27.767 0.300 . 1 . . . . 99 ILE CG1 . 11120 1 1158 . 1 1 99 99 ILE CG2 C 13 17.508 0.300 . 1 . . . . 99 ILE CG2 . 11120 1 1159 . 1 1 99 99 ILE N N 15 118.230 0.300 . 1 . . . . 99 ILE N . 11120 1 1160 . 1 1 100 100 ASN H H 1 7.808 0.030 . 1 . . . . 100 ASN H . 11120 1 1161 . 1 1 100 100 ASN HA H 1 4.752 0.030 . 1 . . . . 100 ASN HA . 11120 1 1162 . 1 1 100 100 ASN HB2 H 1 2.774 0.030 . 2 . . . . 100 ASN HB2 . 11120 1 1163 . 1 1 100 100 ASN HB3 H 1 2.327 0.030 . 2 . . . . 100 ASN HB3 . 11120 1 1164 . 1 1 100 100 ASN HD21 H 1 7.636 0.030 . 2 . . . . 100 ASN HD21 . 11120 1 1165 . 1 1 100 100 ASN HD22 H 1 6.996 0.030 . 2 . . . . 100 ASN HD22 . 11120 1 1166 . 1 1 100 100 ASN C C 13 174.609 0.300 . 1 . . . . 100 ASN C . 11120 1 1167 . 1 1 100 100 ASN CA C 13 53.743 0.300 . 1 . . . . 100 ASN CA . 11120 1 1168 . 1 1 100 100 ASN CB C 13 39.983 0.300 . 1 . . . . 100 ASN CB . 11120 1 1169 . 1 1 100 100 ASN N N 15 115.557 0.300 . 1 . . . . 100 ASN N . 11120 1 1170 . 1 1 100 100 ASN ND2 N 15 114.829 0.300 . 1 . . . . 100 ASN ND2 . 11120 1 1171 . 1 1 101 101 GLY H H 1 7.543 0.030 . 1 . . . . 101 GLY H . 11120 1 1172 . 1 1 101 101 GLY HA2 H 1 4.435 0.030 . 2 . . . . 101 GLY HA2 . 11120 1 1173 . 1 1 101 101 GLY HA3 H 1 3.810 0.030 . 2 . . . . 101 GLY HA3 . 11120 1 1174 . 1 1 101 101 GLY C C 13 171.943 0.300 . 1 . . . . 101 GLY C . 11120 1 1175 . 1 1 101 101 GLY CA C 13 44.936 0.300 . 1 . . . . 101 GLY CA . 11120 1 1176 . 1 1 101 101 GLY N N 15 107.883 0.300 . 1 . . . . 101 GLY N . 11120 1 1177 . 1 1 102 102 THR H H 1 8.336 0.030 . 1 . . . . 102 THR H . 11120 1 1178 . 1 1 102 102 THR HA H 1 4.571 0.030 . 1 . . . . 102 THR HA . 11120 1 1179 . 1 1 102 102 THR HB H 1 3.894 0.030 . 1 . . . . 102 THR HB . 11120 1 1180 . 1 1 102 102 THR HG21 H 1 1.221 0.030 . 1 . . . . 102 THR HG2 . 11120 1 1181 . 1 1 102 102 THR HG22 H 1 1.221 0.030 . 1 . . . . 102 THR HG2 . 11120 1 1182 . 1 1 102 102 THR HG23 H 1 1.221 0.030 . 1 . . . . 102 THR HG2 . 11120 1 1183 . 1 1 102 102 THR C C 13 175.335 0.300 . 1 . . . . 102 THR C . 11120 1 1184 . 1 1 102 102 THR CA C 13 62.423 0.300 . 1 . . . . 102 THR CA . 11120 1 1185 . 1 1 102 102 THR CB C 13 69.756 0.300 . 1 . . . . 102 THR CB . 11120 1 1186 . 1 1 102 102 THR CG2 C 13 21.821 0.300 . 1 . . . . 102 THR CG2 . 11120 1 1187 . 1 1 103 103 GLY H H 1 9.142 0.030 . 1 . . . . 103 GLY H . 11120 1 1188 . 1 1 103 103 GLY HA2 H 1 3.900 0.030 . 2 . . . . 103 GLY HA2 . 11120 1 1189 . 1 1 103 103 GLY HA3 H 1 4.313 0.030 . 2 . . . . 103 GLY HA3 . 11120 1 1190 . 1 1 103 103 GLY C C 13 170.413 0.300 . 1 . . . . 103 GLY C . 11120 1 1191 . 1 1 103 103 GLY CA C 13 45.067 0.300 . 1 . . . . 103 GLY CA . 11120 1 1192 . 1 1 103 103 GLY N N 15 115.256 0.300 . 1 . . . . 103 GLY N . 11120 1 1193 . 1 1 104 104 PRO HA H 1 4.281 0.030 . 1 . . . . 104 PRO HA . 11120 1 1194 . 1 1 104 104 PRO HB2 H 1 2.279 0.030 . 2 . . . . 104 PRO HB2 . 11120 1 1195 . 1 1 104 104 PRO HB3 H 1 1.636 0.030 . 2 . . . . 104 PRO HB3 . 11120 1 1196 . 1 1 104 104 PRO HD2 H 1 3.153 0.030 . 2 . . . . 104 PRO HD2 . 11120 1 1197 . 1 1 104 104 PRO HD3 H 1 3.581 0.030 . 2 . . . . 104 PRO HD3 . 11120 1 1198 . 1 1 104 104 PRO HG2 H 1 1.877 0.030 . 2 . . . . 104 PRO HG2 . 11120 1 1199 . 1 1 104 104 PRO HG3 H 1 1.692 0.030 . 2 . . . . 104 PRO HG3 . 11120 1 1200 . 1 1 104 104 PRO C C 13 176.277 0.300 . 1 . . . . 104 PRO C . 11120 1 1201 . 1 1 104 104 PRO CA C 13 62.587 0.300 . 1 . . . . 104 PRO CA . 11120 1 1202 . 1 1 104 104 PRO CB C 13 32.373 0.300 . 1 . . . . 104 PRO CB . 11120 1 1203 . 1 1 104 104 PRO CD C 13 49.670 0.300 . 1 . . . . 104 PRO CD . 11120 1 1204 . 1 1 104 104 PRO CG C 13 27.400 0.300 . 1 . . . . 104 PRO CG . 11120 1 1205 . 1 1 105 105 ALA H H 1 8.217 0.030 . 1 . . . . 105 ALA H . 11120 1 1206 . 1 1 105 105 ALA HA H 1 5.006 0.030 . 1 . . . . 105 ALA HA . 11120 1 1207 . 1 1 105 105 ALA HB1 H 1 1.078 0.030 . 1 . . . . 105 ALA HB . 11120 1 1208 . 1 1 105 105 ALA HB2 H 1 1.078 0.030 . 1 . . . . 105 ALA HB . 11120 1 1209 . 1 1 105 105 ALA HB3 H 1 1.078 0.030 . 1 . . . . 105 ALA HB . 11120 1 1210 . 1 1 105 105 ALA C C 13 179.459 0.300 . 1 . . . . 105 ALA C . 11120 1 1211 . 1 1 105 105 ALA CA C 13 49.583 0.300 . 1 . . . . 105 ALA CA . 11120 1 1212 . 1 1 105 105 ALA CB C 13 21.324 0.300 . 1 . . . . 105 ALA CB . 11120 1 1213 . 1 1 105 105 ALA N N 15 122.626 0.300 . 1 . . . . 105 ALA N . 11120 1 1214 . 1 1 106 106 THR H H 1 8.269 0.030 . 1 . . . . 106 THR H . 11120 1 1215 . 1 1 106 106 THR HA H 1 4.137 0.030 . 1 . . . . 106 THR HA . 11120 1 1216 . 1 1 106 106 THR HB H 1 4.768 0.030 . 1 . . . . 106 THR HB . 11120 1 1217 . 1 1 106 106 THR HG21 H 1 1.421 0.030 . 1 . . . . 106 THR HG2 . 11120 1 1218 . 1 1 106 106 THR HG22 H 1 1.421 0.030 . 1 . . . . 106 THR HG2 . 11120 1 1219 . 1 1 106 106 THR HG23 H 1 1.421 0.030 . 1 . . . . 106 THR HG2 . 11120 1 1220 . 1 1 106 106 THR C C 13 174.862 0.300 . 1 . . . . 106 THR C . 11120 1 1221 . 1 1 106 106 THR CA C 13 62.401 0.300 . 1 . . . . 106 THR CA . 11120 1 1222 . 1 1 106 106 THR CB C 13 71.875 0.300 . 1 . . . . 106 THR CB . 11120 1 1223 . 1 1 106 106 THR CG2 C 13 21.697 0.300 . 1 . . . . 106 THR CG2 . 11120 1 1224 . 1 1 106 106 THR N N 15 109.319 0.300 . 1 . . . . 106 THR N . 11120 1 1225 . 1 1 107 107 ASP H H 1 8.513 0.030 . 1 . . . . 107 ASP H . 11120 1 1226 . 1 1 107 107 ASP HA H 1 4.519 0.030 . 1 . . . . 107 ASP HA . 11120 1 1227 . 1 1 107 107 ASP HB2 H 1 2.831 0.030 . 2 . . . . 107 ASP HB2 . 11120 1 1228 . 1 1 107 107 ASP HB3 H 1 2.570 0.030 . 2 . . . . 107 ASP HB3 . 11120 1 1229 . 1 1 107 107 ASP C C 13 177.221 0.300 . 1 . . . . 107 ASP C . 11120 1 1230 . 1 1 107 107 ASP CA C 13 54.996 0.300 . 1 . . . . 107 ASP CA . 11120 1 1231 . 1 1 107 107 ASP CB C 13 41.048 0.300 . 1 . . . . 107 ASP CB . 11120 1 1232 . 1 1 107 107 ASP N N 15 120.255 0.300 . 1 . . . . 107 ASP N . 11120 1 1233 . 1 1 108 108 TRP H H 1 8.397 0.030 . 1 . . . . 108 TRP H . 11120 1 1234 . 1 1 108 108 TRP HA H 1 4.763 0.030 . 1 . . . . 108 TRP HA . 11120 1 1235 . 1 1 108 108 TRP HB2 H 1 3.029 0.030 . 2 . . . . 108 TRP HB2 . 11120 1 1236 . 1 1 108 108 TRP HB3 H 1 2.891 0.030 . 2 . . . . 108 TRP HB3 . 11120 1 1237 . 1 1 108 108 TRP HD1 H 1 7.327 0.030 . 1 . . . . 108 TRP HD1 . 11120 1 1238 . 1 1 108 108 TRP HE1 H 1 10.109 0.030 . 1 . . . . 108 TRP HE1 . 11120 1 1239 . 1 1 108 108 TRP HE3 H 1 7.202 0.030 . 1 . . . . 108 TRP HE3 . 11120 1 1240 . 1 1 108 108 TRP HH2 H 1 6.680 0.030 . 1 . . . . 108 TRP HH2 . 11120 1 1241 . 1 1 108 108 TRP HZ2 H 1 7.425 0.030 . 1 . . . . 108 TRP HZ2 . 11120 1 1242 . 1 1 108 108 TRP HZ3 H 1 6.796 0.030 . 1 . . . . 108 TRP HZ3 . 11120 1 1243 . 1 1 108 108 TRP C C 13 176.793 0.300 . 1 . . . . 108 TRP C . 11120 1 1244 . 1 1 108 108 TRP CA C 13 57.499 0.300 . 1 . . . . 108 TRP CA . 11120 1 1245 . 1 1 108 108 TRP CB C 13 30.943 0.300 . 1 . . . . 108 TRP CB . 11120 1 1246 . 1 1 108 108 TRP CD1 C 13 129.001 0.300 . 1 . . . . 108 TRP CD1 . 11120 1 1247 . 1 1 108 108 TRP CE3 C 13 120.412 0.300 . 1 . . . . 108 TRP CE3 . 11120 1 1248 . 1 1 108 108 TRP CH2 C 13 122.555 0.300 . 1 . . . . 108 TRP CH2 . 11120 1 1249 . 1 1 108 108 TRP CZ2 C 13 115.366 0.300 . 1 . . . . 108 TRP CZ2 . 11120 1 1250 . 1 1 108 108 TRP CZ3 C 13 121.166 0.300 . 1 . . . . 108 TRP CZ3 . 11120 1 1251 . 1 1 108 108 TRP N N 15 120.662 0.300 . 1 . . . . 108 TRP N . 11120 1 1252 . 1 1 108 108 TRP NE1 N 15 130.277 0.300 . 1 . . . . 108 TRP NE1 . 11120 1 1253 . 1 1 109 109 LEU H H 1 9.601 0.030 . 1 . . . . 109 LEU H . 11120 1 1254 . 1 1 109 109 LEU HA H 1 4.955 0.030 . 1 . . . . 109 LEU HA . 11120 1 1255 . 1 1 109 109 LEU HB2 H 1 1.837 0.030 . 2 . . . . 109 LEU HB2 . 11120 1 1256 . 1 1 109 109 LEU HB3 H 1 1.612 0.030 . 2 . . . . 109 LEU HB3 . 11120 1 1257 . 1 1 109 109 LEU HD11 H 1 1.087 0.030 . 1 . . . . 109 LEU HD1 . 11120 1 1258 . 1 1 109 109 LEU HD12 H 1 1.087 0.030 . 1 . . . . 109 LEU HD1 . 11120 1 1259 . 1 1 109 109 LEU HD13 H 1 1.087 0.030 . 1 . . . . 109 LEU HD1 . 11120 1 1260 . 1 1 109 109 LEU HD21 H 1 0.958 0.030 . 1 . . . . 109 LEU HD2 . 11120 1 1261 . 1 1 109 109 LEU HD22 H 1 0.958 0.030 . 1 . . . . 109 LEU HD2 . 11120 1 1262 . 1 1 109 109 LEU HD23 H 1 0.958 0.030 . 1 . . . . 109 LEU HD2 . 11120 1 1263 . 1 1 109 109 LEU HG H 1 1.817 0.030 . 1 . . . . 109 LEU HG . 11120 1 1264 . 1 1 109 109 LEU C C 13 176.940 0.300 . 1 . . . . 109 LEU C . 11120 1 1265 . 1 1 109 109 LEU CA C 13 54.203 0.300 . 1 . . . . 109 LEU CA . 11120 1 1266 . 1 1 109 109 LEU CB C 13 46.434 0.300 . 1 . . . . 109 LEU CB . 11120 1 1267 . 1 1 109 109 LEU CD1 C 13 24.308 0.300 . 2 . . . . 109 LEU CD1 . 11120 1 1268 . 1 1 109 109 LEU CD2 C 13 25.641 0.300 . 2 . . . . 109 LEU CD2 . 11120 1 1269 . 1 1 109 109 LEU CG C 13 27.675 0.300 . 1 . . . . 109 LEU CG . 11120 1 1270 . 1 1 109 109 LEU N N 15 126.933 0.300 . 1 . . . . 109 LEU N . 11120 1 1271 . 1 1 110 110 SER H H 1 8.603 0.030 . 1 . . . . 110 SER H . 11120 1 1272 . 1 1 110 110 SER HA H 1 6.100 0.030 . 1 . . . . 110 SER HA . 11120 1 1273 . 1 1 110 110 SER HB2 H 1 3.772 0.030 . 2 . . . . 110 SER HB2 . 11120 1 1274 . 1 1 110 110 SER HB3 H 1 3.879 0.030 . 2 . . . . 110 SER HB3 . 11120 1 1275 . 1 1 110 110 SER C C 13 173.935 0.300 . 1 . . . . 110 SER C . 11120 1 1276 . 1 1 110 110 SER CA C 13 58.106 0.300 . 1 . . . . 110 SER CA . 11120 1 1277 . 1 1 110 110 SER CB C 13 65.936 0.300 . 1 . . . . 110 SER CB . 11120 1 1278 . 1 1 110 110 SER N N 15 119.053 0.300 . 1 . . . . 110 SER N . 11120 1 1279 . 1 1 111 111 ALA H H 1 8.913 0.030 . 1 . . . . 111 ALA H . 11120 1 1280 . 1 1 111 111 ALA HA H 1 4.570 0.030 . 1 . . . . 111 ALA HA . 11120 1 1281 . 1 1 111 111 ALA HB1 H 1 1.351 0.030 . 1 . . . . 111 ALA HB . 11120 1 1282 . 1 1 111 111 ALA HB2 H 1 1.351 0.030 . 1 . . . . 111 ALA HB . 11120 1 1283 . 1 1 111 111 ALA HB3 H 1 1.351 0.030 . 1 . . . . 111 ALA HB . 11120 1 1284 . 1 1 111 111 ALA C C 13 174.695 0.300 . 1 . . . . 111 ALA C . 11120 1 1285 . 1 1 111 111 ALA CA C 13 52.317 0.300 . 1 . . . . 111 ALA CA . 11120 1 1286 . 1 1 111 111 ALA CB C 13 23.889 0.300 . 1 . . . . 111 ALA CB . 11120 1 1287 . 1 1 111 111 ALA N N 15 122.286 0.300 . 1 . . . . 111 ALA N . 11120 1 1288 . 1 1 112 112 GLU H H 1 8.499 0.030 . 1 . . . . 112 GLU H . 11120 1 1289 . 1 1 112 112 GLU HA H 1 5.483 0.030 . 1 . . . . 112 GLU HA . 11120 1 1290 . 1 1 112 112 GLU HB2 H 1 1.884 0.030 . 2 . . . . 112 GLU HB2 . 11120 1 1291 . 1 1 112 112 GLU HB3 H 1 1.751 0.030 . 2 . . . . 112 GLU HB3 . 11120 1 1292 . 1 1 112 112 GLU HG2 H 1 2.105 0.030 . 2 . . . . 112 GLU HG2 . 11120 1 1293 . 1 1 112 112 GLU HG3 H 1 1.967 0.030 . 2 . . . . 112 GLU HG3 . 11120 1 1294 . 1 1 112 112 GLU C C 13 176.642 0.300 . 1 . . . . 112 GLU C . 11120 1 1295 . 1 1 112 112 GLU CA C 13 53.574 0.300 . 1 . . . . 112 GLU CA . 11120 1 1296 . 1 1 112 112 GLU CB C 13 32.887 0.300 . 1 . . . . 112 GLU CB . 11120 1 1297 . 1 1 112 112 GLU CG C 13 36.155 0.300 . 1 . . . . 112 GLU CG . 11120 1 1298 . 1 1 112 112 GLU N N 15 120.061 0.300 . 1 . . . . 112 GLU N . 11120 1 1299 . 1 1 113 113 THR H H 1 8.565 0.030 . 1 . . . . 113 THR H . 11120 1 1300 . 1 1 113 113 THR HA H 1 3.875 0.030 . 1 . . . . 113 THR HA . 11120 1 1301 . 1 1 113 113 THR HB H 1 4.584 0.030 . 1 . . . . 113 THR HB . 11120 1 1302 . 1 1 113 113 THR HG21 H 1 1.141 0.030 . 1 . . . . 113 THR HG2 . 11120 1 1303 . 1 1 113 113 THR HG22 H 1 1.141 0.030 . 1 . . . . 113 THR HG2 . 11120 1 1304 . 1 1 113 113 THR HG23 H 1 1.141 0.030 . 1 . . . . 113 THR HG2 . 11120 1 1305 . 1 1 113 113 THR C C 13 175.507 0.300 . 1 . . . . 113 THR C . 11120 1 1306 . 1 1 113 113 THR CA C 13 61.569 0.300 . 1 . . . . 113 THR CA . 11120 1 1307 . 1 1 113 113 THR CB C 13 69.266 0.300 . 1 . . . . 113 THR CB . 11120 1 1308 . 1 1 113 113 THR CG2 C 13 24.620 0.300 . 1 . . . . 113 THR CG2 . 11120 1 1309 . 1 1 113 113 THR N N 15 113.391 0.300 . 1 . . . . 113 THR N . 11120 1 1310 . 1 1 114 114 PHE H H 1 5.859 0.030 . 1 . . . . 114 PHE H . 11120 1 1311 . 1 1 114 114 PHE HA H 1 4.838 0.030 . 1 . . . . 114 PHE HA . 11120 1 1312 . 1 1 114 114 PHE HB2 H 1 3.702 0.030 . 2 . . . . 114 PHE HB2 . 11120 1 1313 . 1 1 114 114 PHE HB3 H 1 2.413 0.030 . 2 . . . . 114 PHE HB3 . 11120 1 1314 . 1 1 114 114 PHE HD1 H 1 7.227 0.030 . 1 . . . . 114 PHE HD1 . 11120 1 1315 . 1 1 114 114 PHE HD2 H 1 7.227 0.030 . 1 . . . . 114 PHE HD2 . 11120 1 1316 . 1 1 114 114 PHE HE1 H 1 7.303 0.030 . 1 . . . . 114 PHE HE1 . 11120 1 1317 . 1 1 114 114 PHE HE2 H 1 7.303 0.030 . 1 . . . . 114 PHE HE2 . 11120 1 1318 . 1 1 114 114 PHE HZ H 1 7.285 0.030 . 1 . . . . 114 PHE HZ . 11120 1 1319 . 1 1 114 114 PHE C C 13 176.743 0.300 . 1 . . . . 114 PHE C . 11120 1 1320 . 1 1 114 114 PHE CA C 13 55.317 0.300 . 1 . . . . 114 PHE CA . 11120 1 1321 . 1 1 114 114 PHE CB C 13 38.965 0.300 . 1 . . . . 114 PHE CB . 11120 1 1322 . 1 1 114 114 PHE CD1 C 13 130.456 0.300 . 1 . . . . 114 PHE CD1 . 11120 1 1323 . 1 1 114 114 PHE CD2 C 13 130.456 0.300 . 1 . . . . 114 PHE CD2 . 11120 1 1324 . 1 1 114 114 PHE CE1 C 13 131.730 0.300 . 1 . . . . 114 PHE CE1 . 11120 1 1325 . 1 1 114 114 PHE CE2 C 13 131.730 0.300 . 1 . . . . 114 PHE CE2 . 11120 1 1326 . 1 1 114 114 PHE CZ C 13 130.222 0.300 . 1 . . . . 114 PHE CZ . 11120 1 1327 . 1 1 114 114 PHE N N 15 117.498 0.300 . 1 . . . . 114 PHE N . 11120 1 1328 . 1 1 115 115 GLU H H 1 8.909 0.030 . 1 . . . . 115 GLU H . 11120 1 1329 . 1 1 115 115 GLU HA H 1 4.013 0.030 . 1 . . . . 115 GLU HA . 11120 1 1330 . 1 1 115 115 GLU HB2 H 1 2.084 0.030 . 1 . . . . 115 GLU HB2 . 11120 1 1331 . 1 1 115 115 GLU HB3 H 1 2.084 0.030 . 1 . . . . 115 GLU HB3 . 11120 1 1332 . 1 1 115 115 GLU HG2 H 1 2.383 0.030 . 2 . . . . 115 GLU HG2 . 11120 1 1333 . 1 1 115 115 GLU HG3 H 1 2.286 0.030 . 2 . . . . 115 GLU HG3 . 11120 1 1334 . 1 1 115 115 GLU C C 13 176.090 0.300 . 1 . . . . 115 GLU C . 11120 1 1335 . 1 1 115 115 GLU CA C 13 58.818 0.300 . 1 . . . . 115 GLU CA . 11120 1 1336 . 1 1 115 115 GLU CB C 13 30.480 0.300 . 1 . . . . 115 GLU CB . 11120 1 1337 . 1 1 115 115 GLU CG C 13 36.487 0.300 . 1 . . . . 115 GLU CG . 11120 1 1338 . 1 1 115 115 GLU N N 15 119.778 0.300 . 1 . . . . 115 GLU N . 11120 1 1339 . 1 1 116 116 SER H H 1 7.737 0.030 . 1 . . . . 116 SER H . 11120 1 1340 . 1 1 116 116 SER HA H 1 4.579 0.030 . 1 . . . . 116 SER HA . 11120 1 1341 . 1 1 116 116 SER HB2 H 1 3.810 0.030 . 1 . . . . 116 SER HB2 . 11120 1 1342 . 1 1 116 116 SER HB3 H 1 3.810 0.030 . 1 . . . . 116 SER HB3 . 11120 1 1343 . 1 1 116 116 SER C C 13 173.007 0.300 . 1 . . . . 116 SER C . 11120 1 1344 . 1 1 116 116 SER CA C 13 56.805 0.300 . 1 . . . . 116 SER CA . 11120 1 1345 . 1 1 116 116 SER CB C 13 65.120 0.300 . 1 . . . . 116 SER CB . 11120 1 1346 . 1 1 116 116 SER N N 15 109.866 0.300 . 1 . . . . 116 SER N . 11120 1 1347 . 1 1 117 117 ASP H H 1 8.746 0.030 . 1 . . . . 117 ASP H . 11120 1 1348 . 1 1 117 117 ASP HA H 1 4.892 0.030 . 1 . . . . 117 ASP HA . 11120 1 1349 . 1 1 117 117 ASP HB2 H 1 2.885 0.030 . 2 . . . . 117 ASP HB2 . 11120 1 1350 . 1 1 117 117 ASP HB3 H 1 2.581 0.030 . 2 . . . . 117 ASP HB3 . 11120 1 1351 . 1 1 117 117 ASP C C 13 176.125 0.300 . 1 . . . . 117 ASP C . 11120 1 1352 . 1 1 117 117 ASP CA C 13 54.535 0.300 . 1 . . . . 117 ASP CA . 11120 1 1353 . 1 1 117 117 ASP CB C 13 41.642 0.300 . 1 . . . . 117 ASP CB . 11120 1 1354 . 1 1 117 117 ASP N N 15 121.823 0.300 . 1 . . . . 117 ASP N . 11120 1 1355 . 1 1 118 118 LEU H H 1 8.397 0.030 . 1 . . . . 118 LEU H . 11120 1 1356 . 1 1 118 118 LEU HA H 1 4.283 0.030 . 1 . . . . 118 LEU HA . 11120 1 1357 . 1 1 118 118 LEU HB2 H 1 1.627 0.030 . 2 . . . . 118 LEU HB2 . 11120 1 1358 . 1 1 118 118 LEU HB3 H 1 1.561 0.030 . 2 . . . . 118 LEU HB3 . 11120 1 1359 . 1 1 118 118 LEU HD11 H 1 0.866 0.030 . 1 . . . . 118 LEU HD1 . 11120 1 1360 . 1 1 118 118 LEU HD12 H 1 0.866 0.030 . 1 . . . . 118 LEU HD1 . 11120 1 1361 . 1 1 118 118 LEU HD13 H 1 0.866 0.030 . 1 . . . . 118 LEU HD1 . 11120 1 1362 . 1 1 118 118 LEU HD21 H 1 0.817 0.030 . 1 . . . . 118 LEU HD2 . 11120 1 1363 . 1 1 118 118 LEU HD22 H 1 0.817 0.030 . 1 . . . . 118 LEU HD2 . 11120 1 1364 . 1 1 118 118 LEU HD23 H 1 0.817 0.030 . 1 . . . . 118 LEU HD2 . 11120 1 1365 . 1 1 118 118 LEU C C 13 177.147 0.300 . 1 . . . . 118 LEU C . 11120 1 1366 . 1 1 118 118 LEU CA C 13 55.471 0.300 . 1 . . . . 118 LEU CA . 11120 1 1367 . 1 1 118 118 LEU CB C 13 42.277 0.300 . 1 . . . . 118 LEU CB . 11120 1 1368 . 1 1 118 118 LEU CD1 C 13 24.873 0.300 . 2 . . . . 118 LEU CD1 . 11120 1 1369 . 1 1 118 118 LEU CD2 C 13 23.452 0.300 . 2 . . . . 118 LEU CD2 . 11120 1 1370 . 1 1 118 118 LEU CG C 13 26.930 0.300 . 1 . . . . 118 LEU CG . 11120 1 1371 . 1 1 118 118 LEU N N 15 122.095 0.300 . 1 . . . . 118 LEU N . 11120 1 1372 . 1 1 119 119 ASP H H 1 8.328 0.030 . 1 . . . . 119 ASP H . 11120 1 1373 . 1 1 119 119 ASP HA H 1 4.560 0.030 . 1 . . . . 119 ASP HA . 11120 1 1374 . 1 1 119 119 ASP HB2 H 1 2.669 0.030 . 2 . . . . 119 ASP HB2 . 11120 1 1375 . 1 1 119 119 ASP HB3 H 1 2.588 0.030 . 2 . . . . 119 ASP HB3 . 11120 1 1376 . 1 1 119 119 ASP C C 13 176.391 0.300 . 1 . . . . 119 ASP C . 11120 1 1377 . 1 1 119 119 ASP CA C 13 54.422 0.300 . 1 . . . . 119 ASP CA . 11120 1 1378 . 1 1 119 119 ASP CB C 13 41.068 0.300 . 1 . . . . 119 ASP CB . 11120 1 1379 . 1 1 119 119 ASP N N 15 120.976 0.300 . 1 . . . . 119 ASP N . 11120 1 1380 . 1 1 120 120 GLU H H 1 8.409 0.030 . 1 . . . . 120 GLU H . 11120 1 1381 . 1 1 120 120 GLU HA H 1 4.304 0.030 . 1 . . . . 120 GLU HA . 11120 1 1382 . 1 1 120 120 GLU HB2 H 1 2.088 0.030 . 2 . . . . 120 GLU HB2 . 11120 1 1383 . 1 1 120 120 GLU HB3 H 1 1.956 0.030 . 2 . . . . 120 GLU HB3 . 11120 1 1384 . 1 1 120 120 GLU HG2 H 1 2.269 0.030 . 2 . . . . 120 GLU HG2 . 11120 1 1385 . 1 1 120 120 GLU HG3 H 1 2.217 0.030 . 2 . . . . 120 GLU HG3 . 11120 1 1386 . 1 1 120 120 GLU C C 13 176.665 0.300 . 1 . . . . 120 GLU C . 11120 1 1387 . 1 1 120 120 GLU CA C 13 56.849 0.300 . 1 . . . . 120 GLU CA . 11120 1 1388 . 1 1 120 120 GLU CB C 13 30.346 0.300 . 1 . . . . 120 GLU CB . 11120 1 1389 . 1 1 120 120 GLU CG C 13 36.398 0.300 . 1 . . . . 120 GLU CG . 11120 1 1390 . 1 1 120 120 GLU N N 15 121.807 0.300 . 1 . . . . 120 GLU N . 11120 1 1391 . 1 1 121 121 THR H H 1 8.287 0.030 . 1 . . . . 121 THR H . 11120 1 1392 . 1 1 121 121 THR HA H 1 4.264 0.030 . 1 . . . . 121 THR HA . 11120 1 1393 . 1 1 121 121 THR HB H 1 4.179 0.030 . 1 . . . . 121 THR HB . 11120 1 1394 . 1 1 121 121 THR HG21 H 1 1.189 0.030 . 1 . . . . 121 THR HG2 . 11120 1 1395 . 1 1 121 121 THR HG22 H 1 1.189 0.030 . 1 . . . . 121 THR HG2 . 11120 1 1396 . 1 1 121 121 THR HG23 H 1 1.189 0.030 . 1 . . . . 121 THR HG2 . 11120 1 1397 . 1 1 121 121 THR C C 13 174.507 0.300 . 1 . . . . 121 THR C . 11120 1 1398 . 1 1 121 121 THR CA C 13 62.484 0.300 . 1 . . . . 121 THR CA . 11120 1 1399 . 1 1 121 121 THR CB C 13 69.767 0.300 . 1 . . . . 121 THR CB . 11120 1 1400 . 1 1 121 121 THR CG2 C 13 21.693 0.300 . 1 . . . . 121 THR CG2 . 11120 1 1401 . 1 1 121 121 THR N N 15 115.082 0.300 . 1 . . . . 121 THR N . 11120 1 1402 . 1 1 122 122 ARG H H 1 8.185 0.030 . 1 . . . . 122 ARG H . 11120 1 1403 . 1 1 122 122 ARG HA H 1 4.377 0.030 . 1 . . . . 122 ARG HA . 11120 1 1404 . 1 1 122 122 ARG HB2 H 1 1.807 0.030 . 2 . . . . 122 ARG HB2 . 11120 1 1405 . 1 1 122 122 ARG HB3 H 1 1.727 0.030 . 2 . . . . 122 ARG HB3 . 11120 1 1406 . 1 1 122 122 ARG HG2 H 1 1.585 0.030 . 2 . . . . 122 ARG HG2 . 11120 1 1407 . 1 1 122 122 ARG C C 13 175.864 0.300 . 1 . . . . 122 ARG C . 11120 1 1408 . 1 1 122 122 ARG CA C 13 55.715 0.300 . 1 . . . . 122 ARG CA . 11120 1 1409 . 1 1 122 122 ARG CB C 13 30.892 0.300 . 1 . . . . 122 ARG CB . 11120 1 1410 . 1 1 122 122 ARG CD C 13 43.397 0.300 . 1 . . . . 122 ARG CD . 11120 1 1411 . 1 1 122 122 ARG CG C 13 27.012 0.300 . 1 . . . . 122 ARG CG . 11120 1 1412 . 1 1 122 122 ARG N N 15 124.151 0.300 . 1 . . . . 122 ARG N . 11120 1 1413 . 1 1 123 123 VAL H H 1 8.256 0.030 . 1 . . . . 123 VAL H . 11120 1 1414 . 1 1 123 123 VAL HA H 1 4.383 0.030 . 1 . . . . 123 VAL HA . 11120 1 1415 . 1 1 123 123 VAL HB H 1 2.080 0.030 . 1 . . . . 123 VAL HB . 11120 1 1416 . 1 1 123 123 VAL HG11 H 1 0.931 0.030 . 1 . . . . 123 VAL HG1 . 11120 1 1417 . 1 1 123 123 VAL HG12 H 1 0.931 0.030 . 1 . . . . 123 VAL HG1 . 11120 1 1418 . 1 1 123 123 VAL HG13 H 1 0.931 0.030 . 1 . . . . 123 VAL HG1 . 11120 1 1419 . 1 1 123 123 VAL HG21 H 1 0.970 0.030 . 1 . . . . 123 VAL HG2 . 11120 1 1420 . 1 1 123 123 VAL HG22 H 1 0.970 0.030 . 1 . . . . 123 VAL HG2 . 11120 1 1421 . 1 1 123 123 VAL HG23 H 1 0.970 0.030 . 1 . . . . 123 VAL HG2 . 11120 1 1422 . 1 1 123 123 VAL C C 13 174.516 0.300 . 1 . . . . 123 VAL C . 11120 1 1423 . 1 1 123 123 VAL CA C 13 59.929 0.300 . 1 . . . . 123 VAL CA . 11120 1 1424 . 1 1 123 123 VAL CB C 13 32.362 0.300 . 1 . . . . 123 VAL CB . 11120 1 1425 . 1 1 123 123 VAL CG1 C 13 20.326 0.300 . 2 . . . . 123 VAL CG1 . 11120 1 1426 . 1 1 123 123 VAL CG2 C 13 21.078 0.300 . 2 . . . . 123 VAL CG2 . 11120 1 1427 . 1 1 123 123 VAL N N 15 123.663 0.300 . 1 . . . . 123 VAL N . 11120 1 1428 . 1 1 124 124 PRO HA H 1 4.367 0.030 . 1 . . . . 124 PRO HA . 11120 1 1429 . 1 1 124 124 PRO HB2 H 1 2.269 0.030 . 2 . . . . 124 PRO HB2 . 11120 1 1430 . 1 1 124 124 PRO HB3 H 1 1.671 0.030 . 2 . . . . 124 PRO HB3 . 11120 1 1431 . 1 1 124 124 PRO HD2 H 1 3.872 0.030 . 2 . . . . 124 PRO HD2 . 11120 1 1432 . 1 1 124 124 PRO HD3 H 1 3.674 0.030 . 2 . . . . 124 PRO HD3 . 11120 1 1433 . 1 1 124 124 PRO HG2 H 1 2.022 0.030 . 2 . . . . 124 PRO HG2 . 11120 1 1434 . 1 1 124 124 PRO HG3 H 1 1.964 0.030 . 2 . . . . 124 PRO HG3 . 11120 1 1435 . 1 1 124 124 PRO C C 13 176.790 0.300 . 1 . . . . 124 PRO C . 11120 1 1436 . 1 1 124 124 PRO CA C 13 63.218 0.300 . 1 . . . . 124 PRO CA . 11120 1 1437 . 1 1 124 124 PRO CB C 13 32.220 0.300 . 1 . . . . 124 PRO CB . 11120 1 1438 . 1 1 124 124 PRO CD C 13 50.979 0.300 . 1 . . . . 124 PRO CD . 11120 1 1439 . 1 1 124 124 PRO CG C 13 27.478 0.300 . 1 . . . . 124 PRO CG . 11120 1 1440 . 1 1 125 125 GLU H H 1 8.499 0.030 . 1 . . . . 125 GLU H . 11120 1 1441 . 1 1 125 125 GLU HA H 1 4.254 0.030 . 1 . . . . 125 GLU HA . 11120 1 1442 . 1 1 125 125 GLU HB2 H 1 2.005 0.030 . 2 . . . . 125 GLU HB2 . 11120 1 1443 . 1 1 125 125 GLU HB3 H 1 1.923 0.030 . 2 . . . . 125 GLU HB3 . 11120 1 1444 . 1 1 125 125 GLU HG2 H 1 2.287 0.030 . 2 . . . . 125 GLU HG2 . 11120 1 1445 . 1 1 125 125 GLU HG3 H 1 2.254 0.030 . 2 . . . . 125 GLU HG3 . 11120 1 1446 . 1 1 125 125 GLU C C 13 176.637 0.300 . 1 . . . . 125 GLU C . 11120 1 1447 . 1 1 125 125 GLU CA C 13 56.621 0.300 . 1 . . . . 125 GLU CA . 11120 1 1448 . 1 1 125 125 GLU CB C 13 30.323 0.300 . 1 . . . . 125 GLU CB . 11120 1 1449 . 1 1 125 125 GLU CG C 13 36.269 0.300 . 1 . . . . 125 GLU CG . 11120 1 1450 . 1 1 125 125 GLU N N 15 121.629 0.300 . 1 . . . . 125 GLU N . 11120 1 1451 . 1 1 126 126 VAL H H 1 8.254 0.030 . 1 . . . . 126 VAL H . 11120 1 1452 . 1 1 126 126 VAL HA H 1 4.167 0.030 . 1 . . . . 126 VAL HA . 11120 1 1453 . 1 1 126 126 VAL HB H 1 2.065 0.030 . 1 . . . . 126 VAL HB . 11120 1 1454 . 1 1 126 126 VAL HG11 H 1 0.913 0.030 . 1 . . . . 126 VAL HG1 . 11120 1 1455 . 1 1 126 126 VAL HG12 H 1 0.913 0.030 . 1 . . . . 126 VAL HG1 . 11120 1 1456 . 1 1 126 126 VAL HG13 H 1 0.913 0.030 . 1 . . . . 126 VAL HG1 . 11120 1 1457 . 1 1 126 126 VAL HG21 H 1 0.921 0.030 . 1 . . . . 126 VAL HG2 . 11120 1 1458 . 1 1 126 126 VAL HG22 H 1 0.921 0.030 . 1 . . . . 126 VAL HG2 . 11120 1 1459 . 1 1 126 126 VAL HG23 H 1 0.921 0.030 . 1 . . . . 126 VAL HG2 . 11120 1 1460 . 1 1 126 126 VAL C C 13 176.098 0.300 . 1 . . . . 126 VAL C . 11120 1 1461 . 1 1 126 126 VAL CA C 13 62.126 0.300 . 1 . . . . 126 VAL CA . 11120 1 1462 . 1 1 126 126 VAL CB C 13 32.910 0.300 . 1 . . . . 126 VAL CB . 11120 1 1463 . 1 1 126 126 VAL CG1 C 13 20.703 0.300 . 2 . . . . 126 VAL CG1 . 11120 1 1464 . 1 1 126 126 VAL CG2 C 13 20.703 0.300 . 2 . . . . 126 VAL CG2 . 11120 1 1465 . 1 1 126 126 VAL N N 15 121.481 0.300 . 1 . . . . 126 VAL N . 11120 1 1466 . 1 1 127 127 SER H H 1 8.442 0.030 . 1 . . . . 127 SER H . 11120 1 1467 . 1 1 127 127 SER HA H 1 4.498 0.030 . 1 . . . . 127 SER HA . 11120 1 1468 . 1 1 127 127 SER HB2 H 1 3.844 0.030 . 2 . . . . 127 SER HB2 . 11120 1 1469 . 1 1 127 127 SER HB3 H 1 3.909 0.030 . 2 . . . . 127 SER HB3 . 11120 1 1470 . 1 1 127 127 SER C C 13 174.535 0.300 . 1 . . . . 127 SER C . 11120 1 1471 . 1 1 127 127 SER CA C 13 58.416 0.300 . 1 . . . . 127 SER CA . 11120 1 1472 . 1 1 127 127 SER CB C 13 64.053 0.300 . 1 . . . . 127 SER CB . 11120 1 1473 . 1 1 127 127 SER N N 15 119.903 0.300 . 1 . . . . 127 SER N . 11120 1 1474 . 1 1 128 128 GLY H H 1 8.273 0.030 . 1 . . . . 128 GLY H . 11120 1 1475 . 1 1 128 128 GLY HA2 H 1 4.174 0.030 . 2 . . . . 128 GLY HA2 . 11120 1 1476 . 1 1 128 128 GLY HA3 H 1 4.055 0.030 . 2 . . . . 128 GLY HA3 . 11120 1 1477 . 1 1 128 128 GLY C C 13 171.700 0.300 . 1 . . . . 128 GLY C . 11120 1 1478 . 1 1 128 128 GLY CA C 13 44.644 0.300 . 1 . . . . 128 GLY CA . 11120 1 1479 . 1 1 128 128 GLY N N 15 110.931 0.300 . 1 . . . . 128 GLY N . 11120 1 1480 . 1 1 129 129 PRO HA H 1 4.466 0.030 . 1 . . . . 129 PRO HA . 11120 1 1481 . 1 1 129 129 PRO HB2 H 1 2.278 0.030 . 2 . . . . 129 PRO HB2 . 11120 1 1482 . 1 1 129 129 PRO HB3 H 1 1.947 0.030 . 2 . . . . 129 PRO HB3 . 11120 1 1483 . 1 1 129 129 PRO HD2 H 1 3.616 0.030 . 1 . . . . 129 PRO HD2 . 11120 1 1484 . 1 1 129 129 PRO HD3 H 1 3.616 0.030 . 1 . . . . 129 PRO HD3 . 11120 1 1485 . 1 1 129 129 PRO HG2 H 1 2.001 0.030 . 1 . . . . 129 PRO HG2 . 11120 1 1486 . 1 1 129 129 PRO HG3 H 1 2.001 0.030 . 1 . . . . 129 PRO HG3 . 11120 1 1487 . 1 1 129 129 PRO C C 13 177.374 0.300 . 1 . . . . 129 PRO C . 11120 1 1488 . 1 1 129 129 PRO CA C 13 63.210 0.300 . 1 . . . . 129 PRO CA . 11120 1 1489 . 1 1 129 129 PRO CB C 13 32.086 0.300 . 1 . . . . 129 PRO CB . 11120 1 1490 . 1 1 129 129 PRO CD C 13 49.789 0.300 . 1 . . . . 129 PRO CD . 11120 1 1491 . 1 1 129 129 PRO CG C 13 27.191 0.300 . 1 . . . . 129 PRO CG . 11120 1 1492 . 1 1 130 130 SER H H 1 8.541 0.030 . 1 . . . . 130 SER H . 11120 1 1493 . 1 1 130 130 SER C C 13 174.686 0.300 . 1 . . . . 130 SER C . 11120 1 1494 . 1 1 130 130 SER CA C 13 58.368 0.300 . 1 . . . . 130 SER CA . 11120 1 1495 . 1 1 130 130 SER CB C 13 63.958 0.300 . 1 . . . . 130 SER CB . 11120 1 1496 . 1 1 130 130 SER N N 15 116.564 0.300 . 1 . . . . 130 SER N . 11120 1 stop_ save_