data_11096 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11096 _Entry.Title ; Solution structure of the first fibronectin type III domain of human Netrin receptor DCC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-19 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-17 _Entry.Original_release_date 2011-02-17 _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 . . . 11096 2 S. Koshiba . . . 11096 3 T. Tomizawa . . . 11096 4 T. Kigawa . . . 11096 5 S. Yokoyama . . . 11096 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)' . 11096 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11096 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 468 11096 '15N chemical shifts' 101 11096 '1H chemical shifts' 723 11096 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 . . 2011-02-17 2010-02-18 original author . 11096 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ED7 'BMRB Entry Tracking System' 11096 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11096 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the first fibronectin type III domain of human Netrin receptor DCC ; _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 . . . 11096 1 2 S. Koshiba . . . 11096 1 3 T. Tomizawa . . . 11096 1 4 T. Kigawa . . . 11096 1 5 S. Yokoyama . . . 11096 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11096 _Assembly.ID 1 _Assembly.Name 'Netrin receptor DCC' _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 'first fn3 domain, Fibronectin type-III 1' 1 $entity_1 A . yes native no no . . . 11096 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 2ed7 . . . . . . 11096 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11096 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'first fn3 domain, Fibronectin type-III 1' _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 ; GSSGSSGKPAIPSSSVLPSA PRDVVPVLVSSRFVRLSWRP PAEAKGNIQTFTVFFSREGD NRERALNTTQPGSLQLTVGN LKPEAMYTFRVVAYNEWGPG ESSQPIKVATQPESGPSSG ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2ED7 . "Solution Structure Of The First Fibronectin Type Iii Domain Of Human Netrin Receptor Dcc" . . . . . 100.00 119 100.00 100.00 4.59e-77 . . . . 11096 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 . 11096 1 2 . SER . 11096 1 3 . SER . 11096 1 4 . GLY . 11096 1 5 . SER . 11096 1 6 . SER . 11096 1 7 . GLY . 11096 1 8 . LYS . 11096 1 9 . PRO . 11096 1 10 . ALA . 11096 1 11 . ILE . 11096 1 12 . PRO . 11096 1 13 . SER . 11096 1 14 . SER . 11096 1 15 . SER . 11096 1 16 . VAL . 11096 1 17 . LEU . 11096 1 18 . PRO . 11096 1 19 . SER . 11096 1 20 . ALA . 11096 1 21 . PRO . 11096 1 22 . ARG . 11096 1 23 . ASP . 11096 1 24 . VAL . 11096 1 25 . VAL . 11096 1 26 . PRO . 11096 1 27 . VAL . 11096 1 28 . LEU . 11096 1 29 . VAL . 11096 1 30 . SER . 11096 1 31 . SER . 11096 1 32 . ARG . 11096 1 33 . PHE . 11096 1 34 . VAL . 11096 1 35 . ARG . 11096 1 36 . LEU . 11096 1 37 . SER . 11096 1 38 . TRP . 11096 1 39 . ARG . 11096 1 40 . PRO . 11096 1 41 . PRO . 11096 1 42 . ALA . 11096 1 43 . GLU . 11096 1 44 . ALA . 11096 1 45 . LYS . 11096 1 46 . GLY . 11096 1 47 . ASN . 11096 1 48 . ILE . 11096 1 49 . GLN . 11096 1 50 . THR . 11096 1 51 . PHE . 11096 1 52 . THR . 11096 1 53 . VAL . 11096 1 54 . PHE . 11096 1 55 . PHE . 11096 1 56 . SER . 11096 1 57 . ARG . 11096 1 58 . GLU . 11096 1 59 . GLY . 11096 1 60 . ASP . 11096 1 61 . ASN . 11096 1 62 . ARG . 11096 1 63 . GLU . 11096 1 64 . ARG . 11096 1 65 . ALA . 11096 1 66 . LEU . 11096 1 67 . ASN . 11096 1 68 . THR . 11096 1 69 . THR . 11096 1 70 . GLN . 11096 1 71 . PRO . 11096 1 72 . GLY . 11096 1 73 . SER . 11096 1 74 . LEU . 11096 1 75 . GLN . 11096 1 76 . LEU . 11096 1 77 . THR . 11096 1 78 . VAL . 11096 1 79 . GLY . 11096 1 80 . ASN . 11096 1 81 . LEU . 11096 1 82 . LYS . 11096 1 83 . PRO . 11096 1 84 . GLU . 11096 1 85 . ALA . 11096 1 86 . MET . 11096 1 87 . TYR . 11096 1 88 . THR . 11096 1 89 . PHE . 11096 1 90 . ARG . 11096 1 91 . VAL . 11096 1 92 . VAL . 11096 1 93 . ALA . 11096 1 94 . TYR . 11096 1 95 . ASN . 11096 1 96 . GLU . 11096 1 97 . TRP . 11096 1 98 . GLY . 11096 1 99 . PRO . 11096 1 100 . GLY . 11096 1 101 . GLU . 11096 1 102 . SER . 11096 1 103 . SER . 11096 1 104 . GLN . 11096 1 105 . PRO . 11096 1 106 . ILE . 11096 1 107 . LYS . 11096 1 108 . VAL . 11096 1 109 . ALA . 11096 1 110 . THR . 11096 1 111 . GLN . 11096 1 112 . PRO . 11096 1 113 . GLU . 11096 1 114 . SER . 11096 1 115 . GLY . 11096 1 116 . PRO . 11096 1 117 . SER . 11096 1 118 . SER . 11096 1 119 . GLY . 11096 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 11096 1 . SER 2 2 11096 1 . SER 3 3 11096 1 . GLY 4 4 11096 1 . SER 5 5 11096 1 . SER 6 6 11096 1 . GLY 7 7 11096 1 . LYS 8 8 11096 1 . PRO 9 9 11096 1 . ALA 10 10 11096 1 . ILE 11 11 11096 1 . PRO 12 12 11096 1 . SER 13 13 11096 1 . SER 14 14 11096 1 . SER 15 15 11096 1 . VAL 16 16 11096 1 . LEU 17 17 11096 1 . PRO 18 18 11096 1 . SER 19 19 11096 1 . ALA 20 20 11096 1 . PRO 21 21 11096 1 . ARG 22 22 11096 1 . ASP 23 23 11096 1 . VAL 24 24 11096 1 . VAL 25 25 11096 1 . PRO 26 26 11096 1 . VAL 27 27 11096 1 . LEU 28 28 11096 1 . VAL 29 29 11096 1 . SER 30 30 11096 1 . SER 31 31 11096 1 . ARG 32 32 11096 1 . PHE 33 33 11096 1 . VAL 34 34 11096 1 . ARG 35 35 11096 1 . LEU 36 36 11096 1 . SER 37 37 11096 1 . TRP 38 38 11096 1 . ARG 39 39 11096 1 . PRO 40 40 11096 1 . PRO 41 41 11096 1 . ALA 42 42 11096 1 . GLU 43 43 11096 1 . ALA 44 44 11096 1 . LYS 45 45 11096 1 . GLY 46 46 11096 1 . ASN 47 47 11096 1 . ILE 48 48 11096 1 . GLN 49 49 11096 1 . THR 50 50 11096 1 . PHE 51 51 11096 1 . THR 52 52 11096 1 . VAL 53 53 11096 1 . PHE 54 54 11096 1 . PHE 55 55 11096 1 . SER 56 56 11096 1 . ARG 57 57 11096 1 . GLU 58 58 11096 1 . GLY 59 59 11096 1 . ASP 60 60 11096 1 . ASN 61 61 11096 1 . ARG 62 62 11096 1 . GLU 63 63 11096 1 . ARG 64 64 11096 1 . ALA 65 65 11096 1 . LEU 66 66 11096 1 . ASN 67 67 11096 1 . THR 68 68 11096 1 . THR 69 69 11096 1 . GLN 70 70 11096 1 . PRO 71 71 11096 1 . GLY 72 72 11096 1 . SER 73 73 11096 1 . LEU 74 74 11096 1 . GLN 75 75 11096 1 . LEU 76 76 11096 1 . THR 77 77 11096 1 . VAL 78 78 11096 1 . GLY 79 79 11096 1 . ASN 80 80 11096 1 . LEU 81 81 11096 1 . LYS 82 82 11096 1 . PRO 83 83 11096 1 . GLU 84 84 11096 1 . ALA 85 85 11096 1 . MET 86 86 11096 1 . TYR 87 87 11096 1 . THR 88 88 11096 1 . PHE 89 89 11096 1 . ARG 90 90 11096 1 . VAL 91 91 11096 1 . VAL 92 92 11096 1 . ALA 93 93 11096 1 . TYR 94 94 11096 1 . ASN 95 95 11096 1 . GLU 96 96 11096 1 . TRP 97 97 11096 1 . GLY 98 98 11096 1 . PRO 99 99 11096 1 . GLY 100 100 11096 1 . GLU 101 101 11096 1 . SER 102 102 11096 1 . SER 103 103 11096 1 . GLN 104 104 11096 1 . PRO 105 105 11096 1 . ILE 106 106 11096 1 . LYS 107 107 11096 1 . VAL 108 108 11096 1 . ALA 109 109 11096 1 . THR 110 110 11096 1 . GLN 111 111 11096 1 . PRO 112 112 11096 1 . GLU 113 113 11096 1 . SER 114 114 11096 1 . GLY 115 115 11096 1 . PRO 116 116 11096 1 . SER 117 117 11096 1 . SER 118 118 11096 1 . GLY 119 119 11096 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 11096 _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 . . . . . . . . . . . . . . . . . . . . . 11096 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 11096 _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 . . . . . . . . . . . . . . . . P050905-20 . . . . . . 11096 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11096 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.3mM sample [U-15N,13C]; 20mM d-Tris-HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O, 90% H2O ; _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 'first fn3 domain, Fibronectin type-III 1' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.3 . . mM . . . . 11096 1 2 d-Tris-HCl [U-2H] . . . . . buffer 20 . . mM . . . . 11096 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11096 1 4 d-DTT [U-2H] . . . . . salt 1 . . mM . . . . 11096 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11096 1 6 H2O . . . . . . solvent 90 . . % . . . . 11096 1 7 D2O . . . . . . solvent 10 . . % . . . . 11096 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 11096 _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 11096 1 pH 7.0 0.05 pH 11096 1 pressure 1 0.001 atm 11096 1 temperature 298 0.1 K 11096 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11096 _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 . . 11096 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11096 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11096 _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.' . . 11096 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11096 2 stop_ save_ save_NMNMRView _Software.Sf_category software _Software.Sf_framecode NMNMRView _Software.Entry_ID 11096 _Software.ID 3 _Software.Name NMNMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A' . . 11096 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11096 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11096 _Software.ID 4 _Software.Name Kujira _Software.Version 0.955 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11096 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11096 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11096 _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.' . . 11096 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11096 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 11096 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11096 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11096 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 11096 _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 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11096 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11096 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 11096 _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 . . . . . . . . . 11096 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11096 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11096 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 11096 _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 1H-15N NOESY' 1 $sample_1 isotropic 11096 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11096 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 . . 11096 1 2 $NMRPipe . . 11096 1 3 $NMNMRView . . 11096 1 4 $Kujira . . 11096 1 5 $CYANA . . 11096 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 9 9 PRO HA H 1 4.356 0.030 . 1 . . . . 9 PRO HA . 11096 1 2 . 1 1 9 9 PRO HB2 H 1 2.248 0.030 . 2 . . . . 9 PRO HB2 . 11096 1 3 . 1 1 9 9 PRO HB3 H 1 1.834 0.030 . 2 . . . . 9 PRO HB3 . 11096 1 4 . 1 1 9 9 PRO HD2 H 1 3.780 0.030 . 2 . . . . 9 PRO HD2 . 11096 1 5 . 1 1 9 9 PRO HD3 H 1 3.594 0.030 . 2 . . . . 9 PRO HD3 . 11096 1 6 . 1 1 9 9 PRO C C 13 176.444 0.300 . 1 . . . . 9 PRO C . 11096 1 7 . 1 1 9 9 PRO CA C 13 62.972 0.300 . 1 . . . . 9 PRO CA . 11096 1 8 . 1 1 9 9 PRO CB C 13 32.154 0.300 . 1 . . . . 9 PRO CB . 11096 1 9 . 1 1 9 9 PRO CD C 13 50.618 0.300 . 1 . . . . 9 PRO CD . 11096 1 10 . 1 1 9 9 PRO CG C 13 27.351 0.300 . 1 . . . . 9 PRO CG . 11096 1 11 . 1 1 10 10 ALA H H 1 8.422 0.030 . 1 . . . . 10 ALA H . 11096 1 12 . 1 1 10 10 ALA HA H 1 4.249 0.030 . 1 . . . . 10 ALA HA . 11096 1 13 . 1 1 10 10 ALA HB1 H 1 1.302 0.030 . 1 . . . . 10 ALA HB . 11096 1 14 . 1 1 10 10 ALA HB2 H 1 1.302 0.030 . 1 . . . . 10 ALA HB . 11096 1 15 . 1 1 10 10 ALA HB3 H 1 1.302 0.030 . 1 . . . . 10 ALA HB . 11096 1 16 . 1 1 10 10 ALA C C 13 177.475 0.300 . 1 . . . . 10 ALA C . 11096 1 17 . 1 1 10 10 ALA CA C 13 52.209 0.300 . 1 . . . . 10 ALA CA . 11096 1 18 . 1 1 10 10 ALA CB C 13 19.070 0.300 . 1 . . . . 10 ALA CB . 11096 1 19 . 1 1 10 10 ALA N N 15 124.857 0.300 . 1 . . . . 10 ALA N . 11096 1 20 . 1 1 11 11 ILE H H 1 8.143 0.030 . 1 . . . . 11 ILE H . 11096 1 21 . 1 1 11 11 ILE HA H 1 4.410 0.030 . 1 . . . . 11 ILE HA . 11096 1 22 . 1 1 11 11 ILE HB H 1 1.783 0.030 . 1 . . . . 11 ILE HB . 11096 1 23 . 1 1 11 11 ILE HD11 H 1 0.805 0.030 . 1 . . . . 11 ILE HD1 . 11096 1 24 . 1 1 11 11 ILE HD12 H 1 0.805 0.030 . 1 . . . . 11 ILE HD1 . 11096 1 25 . 1 1 11 11 ILE HD13 H 1 0.805 0.030 . 1 . . . . 11 ILE HD1 . 11096 1 26 . 1 1 11 11 ILE HG12 H 1 1.439 0.030 . 2 . . . . 11 ILE HG12 . 11096 1 27 . 1 1 11 11 ILE HG13 H 1 1.120 0.030 . 2 . . . . 11 ILE HG13 . 11096 1 28 . 1 1 11 11 ILE HG21 H 1 0.879 0.030 . 1 . . . . 11 ILE HG2 . 11096 1 29 . 1 1 11 11 ILE HG22 H 1 0.879 0.030 . 1 . . . . 11 ILE HG2 . 11096 1 30 . 1 1 11 11 ILE HG23 H 1 0.879 0.030 . 1 . . . . 11 ILE HG2 . 11096 1 31 . 1 1 11 11 ILE C C 13 174.741 0.300 . 1 . . . . 11 ILE C . 11096 1 32 . 1 1 11 11 ILE CA C 13 58.463 0.300 . 1 . . . . 11 ILE CA . 11096 1 33 . 1 1 11 11 ILE CB C 13 38.660 0.300 . 1 . . . . 11 ILE CB . 11096 1 34 . 1 1 11 11 ILE CD1 C 13 12.760 0.300 . 1 . . . . 11 ILE CD1 . 11096 1 35 . 1 1 11 11 ILE CG1 C 13 26.867 0.300 . 1 . . . . 11 ILE CG1 . 11096 1 36 . 1 1 11 11 ILE CG2 C 13 17.156 0.300 . 1 . . . . 11 ILE CG2 . 11096 1 37 . 1 1 11 11 ILE N N 15 121.722 0.300 . 1 . . . . 11 ILE N . 11096 1 38 . 1 1 12 12 PRO HA H 1 4.323 0.030 . 1 . . . . 12 PRO HA . 11096 1 39 . 1 1 12 12 PRO HB2 H 1 2.199 0.030 . 1 . . . . 12 PRO HB2 . 11096 1 40 . 1 1 12 12 PRO HB3 H 1 2.199 0.030 . 1 . . . . 12 PRO HB3 . 11096 1 41 . 1 1 12 12 PRO HD2 H 1 3.594 0.030 . 2 . . . . 12 PRO HD2 . 11096 1 42 . 1 1 12 12 PRO HD3 H 1 3.823 0.030 . 2 . . . . 12 PRO HD3 . 11096 1 43 . 1 1 12 12 PRO HG2 H 1 1.969 0.030 . 1 . . . . 12 PRO HG2 . 11096 1 44 . 1 1 12 12 PRO HG3 H 1 1.969 0.030 . 1 . . . . 12 PRO HG3 . 11096 1 45 . 1 1 12 12 PRO CA C 13 63.152 0.300 . 1 . . . . 12 PRO CA . 11096 1 46 . 1 1 12 12 PRO CB C 13 32.042 0.300 . 1 . . . . 12 PRO CB . 11096 1 47 . 1 1 12 12 PRO CD C 13 51.023 0.300 . 1 . . . . 12 PRO CD . 11096 1 48 . 1 1 12 12 PRO CG C 13 27.422 0.300 . 1 . . . . 12 PRO CG . 11096 1 49 . 1 1 15 15 SER HA H 1 4.193 0.030 . 1 . . . . 15 SER HA . 11096 1 50 . 1 1 15 15 SER HB2 H 1 3.682 0.030 . 2 . . . . 15 SER HB2 . 11096 1 51 . 1 1 15 15 SER HB3 H 1 3.760 0.030 . 2 . . . . 15 SER HB3 . 11096 1 52 . 1 1 15 15 SER C C 13 175.062 0.300 . 1 . . . . 15 SER C . 11096 1 53 . 1 1 15 15 SER CA C 13 58.972 0.300 . 1 . . . . 15 SER CA . 11096 1 54 . 1 1 15 15 SER CB C 13 63.398 0.300 . 1 . . . . 15 SER CB . 11096 1 55 . 1 1 16 16 VAL H H 1 7.487 0.030 . 1 . . . . 16 VAL H . 11096 1 56 . 1 1 16 16 VAL HA H 1 4.231 0.030 . 1 . . . . 16 VAL HA . 11096 1 57 . 1 1 16 16 VAL HB H 1 1.844 0.030 . 1 . . . . 16 VAL HB . 11096 1 58 . 1 1 16 16 VAL HG11 H 1 0.433 0.030 . 1 . . . . 16 VAL HG1 . 11096 1 59 . 1 1 16 16 VAL HG12 H 1 0.433 0.030 . 1 . . . . 16 VAL HG1 . 11096 1 60 . 1 1 16 16 VAL HG13 H 1 0.433 0.030 . 1 . . . . 16 VAL HG1 . 11096 1 61 . 1 1 16 16 VAL HG21 H 1 0.363 0.030 . 1 . . . . 16 VAL HG2 . 11096 1 62 . 1 1 16 16 VAL HG22 H 1 0.363 0.030 . 1 . . . . 16 VAL HG2 . 11096 1 63 . 1 1 16 16 VAL HG23 H 1 0.363 0.030 . 1 . . . . 16 VAL HG2 . 11096 1 64 . 1 1 16 16 VAL C C 13 174.478 0.300 . 1 . . . . 16 VAL C . 11096 1 65 . 1 1 16 16 VAL CA C 13 61.160 0.300 . 1 . . . . 16 VAL CA . 11096 1 66 . 1 1 16 16 VAL CB C 13 31.661 0.300 . 1 . . . . 16 VAL CB . 11096 1 67 . 1 1 16 16 VAL CG1 C 13 21.019 0.300 . 2 . . . . 16 VAL CG1 . 11096 1 68 . 1 1 16 16 VAL CG2 C 13 18.381 0.300 . 2 . . . . 16 VAL CG2 . 11096 1 69 . 1 1 16 16 VAL N N 15 115.534 0.300 . 1 . . . . 16 VAL N . 11096 1 70 . 1 1 17 17 LEU H H 1 7.349 0.030 . 1 . . . . 17 LEU H . 11096 1 71 . 1 1 17 17 LEU HA H 1 4.650 0.030 . 1 . . . . 17 LEU HA . 11096 1 72 . 1 1 17 17 LEU HB2 H 1 1.536 0.030 . 2 . . . . 17 LEU HB2 . 11096 1 73 . 1 1 17 17 LEU HB3 H 1 1.279 0.030 . 2 . . . . 17 LEU HB3 . 11096 1 74 . 1 1 17 17 LEU HD11 H 1 0.631 0.030 . 1 . . . . 17 LEU HD1 . 11096 1 75 . 1 1 17 17 LEU HD12 H 1 0.631 0.030 . 1 . . . . 17 LEU HD1 . 11096 1 76 . 1 1 17 17 LEU HD13 H 1 0.631 0.030 . 1 . . . . 17 LEU HD1 . 11096 1 77 . 1 1 17 17 LEU HD21 H 1 0.854 0.030 . 1 . . . . 17 LEU HD2 . 11096 1 78 . 1 1 17 17 LEU HD22 H 1 0.854 0.030 . 1 . . . . 17 LEU HD2 . 11096 1 79 . 1 1 17 17 LEU HD23 H 1 0.854 0.030 . 1 . . . . 17 LEU HD2 . 11096 1 80 . 1 1 17 17 LEU HG H 1 1.574 0.030 . 1 . . . . 17 LEU HG . 11096 1 81 . 1 1 17 17 LEU C C 13 174.298 0.300 . 1 . . . . 17 LEU C . 11096 1 82 . 1 1 17 17 LEU CA C 13 52.473 0.300 . 1 . . . . 17 LEU CA . 11096 1 83 . 1 1 17 17 LEU CB C 13 40.993 0.300 . 1 . . . . 17 LEU CB . 11096 1 84 . 1 1 17 17 LEU CD1 C 13 21.731 0.300 . 2 . . . . 17 LEU CD1 . 11096 1 85 . 1 1 17 17 LEU CD2 C 13 24.988 0.300 . 2 . . . . 17 LEU CD2 . 11096 1 86 . 1 1 17 17 LEU CG C 13 26.650 0.300 . 1 . . . . 17 LEU CG . 11096 1 87 . 1 1 17 17 LEU N N 15 122.393 0.300 . 1 . . . . 17 LEU N . 11096 1 88 . 1 1 18 18 PRO HA H 1 4.525 0.030 . 1 . . . . 18 PRO HA . 11096 1 89 . 1 1 18 18 PRO HB2 H 1 2.321 0.030 . 2 . . . . 18 PRO HB2 . 11096 1 90 . 1 1 18 18 PRO HB3 H 1 2.047 0.030 . 2 . . . . 18 PRO HB3 . 11096 1 91 . 1 1 18 18 PRO HD2 H 1 3.195 0.030 . 2 . . . . 18 PRO HD2 . 11096 1 92 . 1 1 18 18 PRO HD3 H 1 3.779 0.030 . 2 . . . . 18 PRO HD3 . 11096 1 93 . 1 1 18 18 PRO HG2 H 1 1.796 0.030 . 2 . . . . 18 PRO HG2 . 11096 1 94 . 1 1 18 18 PRO C C 13 177.149 0.300 . 1 . . . . 18 PRO C . 11096 1 95 . 1 1 18 18 PRO CA C 13 63.267 0.300 . 1 . . . . 18 PRO CA . 11096 1 96 . 1 1 18 18 PRO CB C 13 33.217 0.300 . 1 . . . . 18 PRO CB . 11096 1 97 . 1 1 18 18 PRO CD C 13 49.903 0.300 . 1 . . . . 18 PRO CD . 11096 1 98 . 1 1 18 18 PRO CG C 13 27.695 0.300 . 1 . . . . 18 PRO CG . 11096 1 99 . 1 1 19 19 SER H H 1 8.364 0.030 . 1 . . . . 19 SER H . 11096 1 100 . 1 1 19 19 SER HA H 1 4.533 0.030 . 1 . . . . 19 SER HA . 11096 1 101 . 1 1 19 19 SER HB2 H 1 3.973 0.030 . 2 . . . . 19 SER HB2 . 11096 1 102 . 1 1 19 19 SER HB3 H 1 4.452 0.030 . 2 . . . . 19 SER HB3 . 11096 1 103 . 1 1 19 19 SER C C 13 173.096 0.300 . 1 . . . . 19 SER C . 11096 1 104 . 1 1 19 19 SER CA C 13 58.487 0.300 . 1 . . . . 19 SER CA . 11096 1 105 . 1 1 19 19 SER CB C 13 63.550 0.300 . 1 . . . . 19 SER CB . 11096 1 106 . 1 1 19 19 SER N N 15 116.256 0.300 . 1 . . . . 19 SER N . 11096 1 107 . 1 1 20 20 ALA H H 1 8.390 0.030 . 1 . . . . 20 ALA H . 11096 1 108 . 1 1 20 20 ALA HA H 1 4.720 0.030 . 1 . . . . 20 ALA HA . 11096 1 109 . 1 1 20 20 ALA HB1 H 1 1.095 0.030 . 1 . . . . 20 ALA HB . 11096 1 110 . 1 1 20 20 ALA HB2 H 1 1.095 0.030 . 1 . . . . 20 ALA HB . 11096 1 111 . 1 1 20 20 ALA HB3 H 1 1.095 0.030 . 1 . . . . 20 ALA HB . 11096 1 112 . 1 1 20 20 ALA C C 13 177.044 0.300 . 1 . . . . 20 ALA C . 11096 1 113 . 1 1 20 20 ALA CA C 13 51.145 0.300 . 1 . . . . 20 ALA CA . 11096 1 114 . 1 1 20 20 ALA CB C 13 18.551 0.300 . 1 . . . . 20 ALA CB . 11096 1 115 . 1 1 20 20 ALA N N 15 121.045 0.300 . 1 . . . . 20 ALA N . 11096 1 116 . 1 1 21 21 PRO HA H 1 4.244 0.030 . 1 . . . . 21 PRO HA . 11096 1 117 . 1 1 21 21 PRO HB2 H 1 2.200 0.030 . 2 . . . . 21 PRO HB2 . 11096 1 118 . 1 1 21 21 PRO HB3 H 1 1.303 0.030 . 2 . . . . 21 PRO HB3 . 11096 1 119 . 1 1 21 21 PRO HD2 H 1 3.553 0.030 . 1 . . . . 21 PRO HD2 . 11096 1 120 . 1 1 21 21 PRO HD3 H 1 3.553 0.030 . 1 . . . . 21 PRO HD3 . 11096 1 121 . 1 1 21 21 PRO HG2 H 1 1.700 0.030 . 2 . . . . 21 PRO HG2 . 11096 1 122 . 1 1 21 21 PRO C C 13 174.547 0.300 . 1 . . . . 21 PRO C . 11096 1 123 . 1 1 21 21 PRO CA C 13 63.394 0.300 . 1 . . . . 21 PRO CA . 11096 1 124 . 1 1 21 21 PRO CB C 13 31.740 0.300 . 1 . . . . 21 PRO CB . 11096 1 125 . 1 1 21 21 PRO CD C 13 50.623 0.300 . 1 . . . . 21 PRO CD . 11096 1 126 . 1 1 21 21 PRO CG C 13 29.347 0.300 . 1 . . . . 21 PRO CG . 11096 1 127 . 1 1 22 22 ARG H H 1 7.736 0.030 . 1 . . . . 22 ARG H . 11096 1 128 . 1 1 22 22 ARG HA H 1 4.561 0.030 . 1 . . . . 22 ARG HA . 11096 1 129 . 1 1 22 22 ARG HB2 H 1 1.792 0.030 . 2 . . . . 22 ARG HB2 . 11096 1 130 . 1 1 22 22 ARG HB3 H 1 1.442 0.030 . 2 . . . . 22 ARG HB3 . 11096 1 131 . 1 1 22 22 ARG HD2 H 1 3.219 0.030 . 1 . . . . 22 ARG HD2 . 11096 1 132 . 1 1 22 22 ARG HD3 H 1 3.219 0.030 . 1 . . . . 22 ARG HD3 . 11096 1 133 . 1 1 22 22 ARG HG2 H 1 1.647 0.030 . 2 . . . . 22 ARG HG2 . 11096 1 134 . 1 1 22 22 ARG HG3 H 1 1.828 0.030 . 2 . . . . 22 ARG HG3 . 11096 1 135 . 1 1 22 22 ARG C C 13 174.711 0.300 . 1 . . . . 22 ARG C . 11096 1 136 . 1 1 22 22 ARG CA C 13 54.784 0.300 . 1 . . . . 22 ARG CA . 11096 1 137 . 1 1 22 22 ARG CB C 13 34.882 0.300 . 1 . . . . 22 ARG CB . 11096 1 138 . 1 1 22 22 ARG CD C 13 43.645 0.300 . 1 . . . . 22 ARG CD . 11096 1 139 . 1 1 22 22 ARG CG C 13 27.489 0.300 . 1 . . . . 22 ARG CG . 11096 1 140 . 1 1 22 22 ARG N N 15 119.165 0.300 . 1 . . . . 22 ARG N . 11096 1 141 . 1 1 23 23 ASP H H 1 8.835 0.030 . 1 . . . . 23 ASP H . 11096 1 142 . 1 1 23 23 ASP HA H 1 4.122 0.030 . 1 . . . . 23 ASP HA . 11096 1 143 . 1 1 23 23 ASP HB2 H 1 2.690 0.030 . 2 . . . . 23 ASP HB2 . 11096 1 144 . 1 1 23 23 ASP HB3 H 1 2.503 0.030 . 2 . . . . 23 ASP HB3 . 11096 1 145 . 1 1 23 23 ASP C C 13 173.639 0.300 . 1 . . . . 23 ASP C . 11096 1 146 . 1 1 23 23 ASP CA C 13 55.046 0.300 . 1 . . . . 23 ASP CA . 11096 1 147 . 1 1 23 23 ASP CB C 13 39.631 0.300 . 1 . . . . 23 ASP CB . 11096 1 148 . 1 1 23 23 ASP N N 15 118.141 0.300 . 1 . . . . 23 ASP N . 11096 1 149 . 1 1 24 24 VAL H H 1 7.822 0.030 . 1 . . . . 24 VAL H . 11096 1 150 . 1 1 24 24 VAL HA H 1 4.650 0.030 . 1 . . . . 24 VAL HA . 11096 1 151 . 1 1 24 24 VAL HB H 1 2.116 0.030 . 1 . . . . 24 VAL HB . 11096 1 152 . 1 1 24 24 VAL HG11 H 1 0.850 0.030 . 1 . . . . 24 VAL HG1 . 11096 1 153 . 1 1 24 24 VAL HG12 H 1 0.850 0.030 . 1 . . . . 24 VAL HG1 . 11096 1 154 . 1 1 24 24 VAL HG13 H 1 0.850 0.030 . 1 . . . . 24 VAL HG1 . 11096 1 155 . 1 1 24 24 VAL HG21 H 1 0.895 0.030 . 1 . . . . 24 VAL HG2 . 11096 1 156 . 1 1 24 24 VAL HG22 H 1 0.895 0.030 . 1 . . . . 24 VAL HG2 . 11096 1 157 . 1 1 24 24 VAL HG23 H 1 0.895 0.030 . 1 . . . . 24 VAL HG2 . 11096 1 158 . 1 1 24 24 VAL C C 13 177.103 0.300 . 1 . . . . 24 VAL C . 11096 1 159 . 1 1 24 24 VAL CA C 13 63.081 0.300 . 1 . . . . 24 VAL CA . 11096 1 160 . 1 1 24 24 VAL CB C 13 31.009 0.300 . 1 . . . . 24 VAL CB . 11096 1 161 . 1 1 24 24 VAL CG1 C 13 21.914 0.300 . 2 . . . . 24 VAL CG1 . 11096 1 162 . 1 1 24 24 VAL CG2 C 13 20.312 0.300 . 2 . . . . 24 VAL CG2 . 11096 1 163 . 1 1 24 24 VAL N N 15 118.410 0.300 . 1 . . . . 24 VAL N . 11096 1 164 . 1 1 25 25 VAL H H 1 9.153 0.030 . 1 . . . . 25 VAL H . 11096 1 165 . 1 1 25 25 VAL HA H 1 4.848 0.030 . 1 . . . . 25 VAL HA . 11096 1 166 . 1 1 25 25 VAL HB H 1 1.929 0.030 . 1 . . . . 25 VAL HB . 11096 1 167 . 1 1 25 25 VAL HG11 H 1 0.779 0.030 . 1 . . . . 25 VAL HG1 . 11096 1 168 . 1 1 25 25 VAL HG12 H 1 0.779 0.030 . 1 . . . . 25 VAL HG1 . 11096 1 169 . 1 1 25 25 VAL HG13 H 1 0.779 0.030 . 1 . . . . 25 VAL HG1 . 11096 1 170 . 1 1 25 25 VAL HG21 H 1 0.777 0.030 . 1 . . . . 25 VAL HG2 . 11096 1 171 . 1 1 25 25 VAL HG22 H 1 0.777 0.030 . 1 . . . . 25 VAL HG2 . 11096 1 172 . 1 1 25 25 VAL HG23 H 1 0.777 0.030 . 1 . . . . 25 VAL HG2 . 11096 1 173 . 1 1 25 25 VAL C C 13 173.310 0.300 . 1 . . . . 25 VAL C . 11096 1 174 . 1 1 25 25 VAL CA C 13 58.011 0.300 . 1 . . . . 25 VAL CA . 11096 1 175 . 1 1 25 25 VAL CB C 13 36.005 0.300 . 1 . . . . 25 VAL CB . 11096 1 176 . 1 1 25 25 VAL CG1 C 13 21.212 0.300 . 2 . . . . 25 VAL CG1 . 11096 1 177 . 1 1 25 25 VAL CG2 C 13 19.460 0.300 . 2 . . . . 25 VAL CG2 . 11096 1 178 . 1 1 25 25 VAL N N 15 124.314 0.300 . 1 . . . . 25 VAL N . 11096 1 179 . 1 1 26 26 PRO HA H 1 4.867 0.030 . 1 . . . . 26 PRO HA . 11096 1 180 . 1 1 26 26 PRO HB2 H 1 1.759 0.030 . 2 . . . . 26 PRO HB2 . 11096 1 181 . 1 1 26 26 PRO HB3 H 1 1.504 0.030 . 2 . . . . 26 PRO HB3 . 11096 1 182 . 1 1 26 26 PRO HD2 H 1 3.532 0.030 . 2 . . . . 26 PRO HD2 . 11096 1 183 . 1 1 26 26 PRO HD3 H 1 3.718 0.030 . 2 . . . . 26 PRO HD3 . 11096 1 184 . 1 1 26 26 PRO HG2 H 1 2.275 0.030 . 2 . . . . 26 PRO HG2 . 11096 1 185 . 1 1 26 26 PRO HG3 H 1 1.844 0.030 . 2 . . . . 26 PRO HG3 . 11096 1 186 . 1 1 26 26 PRO C C 13 176.216 0.300 . 1 . . . . 26 PRO C . 11096 1 187 . 1 1 26 26 PRO CA C 13 61.031 0.300 . 1 . . . . 26 PRO CA . 11096 1 188 . 1 1 26 26 PRO CB C 13 30.499 0.300 . 1 . . . . 26 PRO CB . 11096 1 189 . 1 1 26 26 PRO CD C 13 50.310 0.300 . 1 . . . . 26 PRO CD . 11096 1 190 . 1 1 26 26 PRO CG C 13 27.211 0.300 . 1 . . . . 26 PRO CG . 11096 1 191 . 1 1 27 27 VAL H H 1 8.716 0.030 . 1 . . . . 27 VAL H . 11096 1 192 . 1 1 27 27 VAL HA H 1 4.124 0.030 . 1 . . . . 27 VAL HA . 11096 1 193 . 1 1 27 27 VAL HB H 1 1.921 0.030 . 1 . . . . 27 VAL HB . 11096 1 194 . 1 1 27 27 VAL HG11 H 1 0.806 0.030 . 1 . . . . 27 VAL HG1 . 11096 1 195 . 1 1 27 27 VAL HG12 H 1 0.806 0.030 . 1 . . . . 27 VAL HG1 . 11096 1 196 . 1 1 27 27 VAL HG13 H 1 0.806 0.030 . 1 . . . . 27 VAL HG1 . 11096 1 197 . 1 1 27 27 VAL HG21 H 1 0.641 0.030 . 1 . . . . 27 VAL HG2 . 11096 1 198 . 1 1 27 27 VAL HG22 H 1 0.641 0.030 . 1 . . . . 27 VAL HG2 . 11096 1 199 . 1 1 27 27 VAL HG23 H 1 0.641 0.030 . 1 . . . . 27 VAL HG2 . 11096 1 200 . 1 1 27 27 VAL C C 13 176.003 0.300 . 1 . . . . 27 VAL C . 11096 1 201 . 1 1 27 27 VAL CA C 13 62.304 0.300 . 1 . . . . 27 VAL CA . 11096 1 202 . 1 1 27 27 VAL CB C 13 32.714 0.300 . 1 . . . . 27 VAL CB . 11096 1 203 . 1 1 27 27 VAL CG1 C 13 22.046 0.300 . 2 . . . . 27 VAL CG1 . 11096 1 204 . 1 1 27 27 VAL CG2 C 13 19.804 0.300 . 2 . . . . 27 VAL CG2 . 11096 1 205 . 1 1 27 27 VAL N N 15 121.355 0.300 . 1 . . . . 27 VAL N . 11096 1 206 . 1 1 28 28 LEU H H 1 7.292 0.030 . 1 . . . . 28 LEU H . 11096 1 207 . 1 1 28 28 LEU HA H 1 4.521 0.030 . 1 . . . . 28 LEU HA . 11096 1 208 . 1 1 28 28 LEU HB2 H 1 1.561 0.030 . 1 . . . . 28 LEU HB2 . 11096 1 209 . 1 1 28 28 LEU HB3 H 1 1.561 0.030 . 1 . . . . 28 LEU HB3 . 11096 1 210 . 1 1 28 28 LEU HD11 H 1 0.924 0.030 . 1 . . . . 28 LEU HD1 . 11096 1 211 . 1 1 28 28 LEU HD12 H 1 0.924 0.030 . 1 . . . . 28 LEU HD1 . 11096 1 212 . 1 1 28 28 LEU HD13 H 1 0.924 0.030 . 1 . . . . 28 LEU HD1 . 11096 1 213 . 1 1 28 28 LEU HD21 H 1 0.927 0.030 . 1 . . . . 28 LEU HD2 . 11096 1 214 . 1 1 28 28 LEU HD22 H 1 0.927 0.030 . 1 . . . . 28 LEU HD2 . 11096 1 215 . 1 1 28 28 LEU HD23 H 1 0.927 0.030 . 1 . . . . 28 LEU HD2 . 11096 1 216 . 1 1 28 28 LEU HG H 1 1.461 0.030 . 1 . . . . 28 LEU HG . 11096 1 217 . 1 1 28 28 LEU C C 13 174.273 0.300 . 1 . . . . 28 LEU C . 11096 1 218 . 1 1 28 28 LEU CA C 13 55.721 0.300 . 1 . . . . 28 LEU CA . 11096 1 219 . 1 1 28 28 LEU CB C 13 45.784 0.300 . 1 . . . . 28 LEU CB . 11096 1 220 . 1 1 28 28 LEU CD1 C 13 24.995 0.300 . 2 . . . . 28 LEU CD1 . 11096 1 221 . 1 1 28 28 LEU CD2 C 13 23.989 0.300 . 2 . . . . 28 LEU CD2 . 11096 1 222 . 1 1 28 28 LEU CG C 13 27.674 0.300 . 1 . . . . 28 LEU CG . 11096 1 223 . 1 1 28 28 LEU N N 15 120.540 0.300 . 1 . . . . 28 LEU N . 11096 1 224 . 1 1 29 29 VAL H H 1 8.728 0.030 . 1 . . . . 29 VAL H . 11096 1 225 . 1 1 29 29 VAL HA H 1 4.087 0.030 . 1 . . . . 29 VAL HA . 11096 1 226 . 1 1 29 29 VAL HB H 1 1.922 0.030 . 1 . . . . 29 VAL HB . 11096 1 227 . 1 1 29 29 VAL HG11 H 1 1.055 0.030 . 1 . . . . 29 VAL HG1 . 11096 1 228 . 1 1 29 29 VAL HG12 H 1 1.055 0.030 . 1 . . . . 29 VAL HG1 . 11096 1 229 . 1 1 29 29 VAL HG13 H 1 1.055 0.030 . 1 . . . . 29 VAL HG1 . 11096 1 230 . 1 1 29 29 VAL HG21 H 1 0.850 0.030 . 1 . . . . 29 VAL HG2 . 11096 1 231 . 1 1 29 29 VAL HG22 H 1 0.850 0.030 . 1 . . . . 29 VAL HG2 . 11096 1 232 . 1 1 29 29 VAL HG23 H 1 0.850 0.030 . 1 . . . . 29 VAL HG2 . 11096 1 233 . 1 1 29 29 VAL C C 13 173.957 0.300 . 1 . . . . 29 VAL C . 11096 1 234 . 1 1 29 29 VAL CA C 13 62.479 0.300 . 1 . . . . 29 VAL CA . 11096 1 235 . 1 1 29 29 VAL CB C 13 34.007 0.300 . 1 . . . . 29 VAL CB . 11096 1 236 . 1 1 29 29 VAL CG1 C 13 22.239 0.300 . 2 . . . . 29 VAL CG1 . 11096 1 237 . 1 1 29 29 VAL CG2 C 13 21.799 0.300 . 2 . . . . 29 VAL CG2 . 11096 1 238 . 1 1 29 29 VAL N N 15 126.408 0.300 . 1 . . . . 29 VAL N . 11096 1 239 . 1 1 30 30 SER H H 1 7.677 0.030 . 1 . . . . 30 SER H . 11096 1 240 . 1 1 30 30 SER HA H 1 4.586 0.030 . 1 . . . . 30 SER HA . 11096 1 241 . 1 1 30 30 SER HB2 H 1 2.802 0.030 . 2 . . . . 30 SER HB2 . 11096 1 242 . 1 1 30 30 SER HB3 H 1 2.227 0.030 . 2 . . . . 30 SER HB3 . 11096 1 243 . 1 1 30 30 SER C C 13 174.608 0.300 . 1 . . . . 30 SER C . 11096 1 244 . 1 1 30 30 SER CA C 13 54.168 0.300 . 1 . . . . 30 SER CA . 11096 1 245 . 1 1 30 30 SER CB C 13 63.376 0.300 . 1 . . . . 30 SER CB . 11096 1 246 . 1 1 30 30 SER N N 15 122.086 0.300 . 1 . . . . 30 SER N . 11096 1 247 . 1 1 31 31 SER H H 1 8.364 0.030 . 1 . . . . 31 SER H . 11096 1 248 . 1 1 31 31 SER HA H 1 4.933 0.030 . 1 . . . . 31 SER HA . 11096 1 249 . 1 1 31 31 SER HB2 H 1 3.678 0.030 . 2 . . . . 31 SER HB2 . 11096 1 250 . 1 1 31 31 SER HB3 H 1 3.601 0.030 . 2 . . . . 31 SER HB3 . 11096 1 251 . 1 1 31 31 SER C C 13 174.624 0.300 . 1 . . . . 31 SER C . 11096 1 252 . 1 1 31 31 SER CA C 13 59.481 0.300 . 1 . . . . 31 SER CA . 11096 1 253 . 1 1 31 31 SER CB C 13 63.696 0.300 . 1 . . . . 31 SER CB . 11096 1 254 . 1 1 31 31 SER N N 15 116.003 0.300 . 1 . . . . 31 SER N . 11096 1 255 . 1 1 32 32 ARG H H 1 7.347 0.030 . 1 . . . . 32 ARG H . 11096 1 256 . 1 1 32 32 ARG HA H 1 4.650 0.030 . 1 . . . . 32 ARG HA . 11096 1 257 . 1 1 32 32 ARG HB2 H 1 2.210 0.030 . 2 . . . . 32 ARG HB2 . 11096 1 258 . 1 1 32 32 ARG HB3 H 1 1.548 0.030 . 2 . . . . 32 ARG HB3 . 11096 1 259 . 1 1 32 32 ARG HD2 H 1 3.295 0.030 . 2 . . . . 32 ARG HD2 . 11096 1 260 . 1 1 32 32 ARG HD3 H 1 3.104 0.030 . 2 . . . . 32 ARG HD3 . 11096 1 261 . 1 1 32 32 ARG HG2 H 1 1.593 0.030 . 2 . . . . 32 ARG HG2 . 11096 1 262 . 1 1 32 32 ARG HG3 H 1 1.533 0.030 . 2 . . . . 32 ARG HG3 . 11096 1 263 . 1 1 32 32 ARG C C 13 176.386 0.300 . 1 . . . . 32 ARG C . 11096 1 264 . 1 1 32 32 ARG CA C 13 54.243 0.300 . 1 . . . . 32 ARG CA . 11096 1 265 . 1 1 32 32 ARG CB C 13 31.769 0.300 . 1 . . . . 32 ARG CB . 11096 1 266 . 1 1 32 32 ARG CD C 13 43.320 0.300 . 1 . . . . 32 ARG CD . 11096 1 267 . 1 1 32 32 ARG CG C 13 28.079 0.300 . 1 . . . . 32 ARG CG . 11096 1 268 . 1 1 32 32 ARG N N 15 111.577 0.300 . 1 . . . . 32 ARG N . 11096 1 269 . 1 1 33 33 PHE H H 1 6.918 0.030 . 1 . . . . 33 PHE H . 11096 1 270 . 1 1 33 33 PHE HA H 1 5.347 0.030 . 1 . . . . 33 PHE HA . 11096 1 271 . 1 1 33 33 PHE HB2 H 1 2.980 0.030 . 2 . . . . 33 PHE HB2 . 11096 1 272 . 1 1 33 33 PHE HB3 H 1 2.603 0.030 . 2 . . . . 33 PHE HB3 . 11096 1 273 . 1 1 33 33 PHE HD1 H 1 6.780 0.030 . 1 . . . . 33 PHE HD1 . 11096 1 274 . 1 1 33 33 PHE HD2 H 1 6.780 0.030 . 1 . . . . 33 PHE HD2 . 11096 1 275 . 1 1 33 33 PHE HE1 H 1 7.119 0.030 . 1 . . . . 33 PHE HE1 . 11096 1 276 . 1 1 33 33 PHE HE2 H 1 7.119 0.030 . 1 . . . . 33 PHE HE2 . 11096 1 277 . 1 1 33 33 PHE HZ H 1 7.227 0.030 . 1 . . . . 33 PHE HZ . 11096 1 278 . 1 1 33 33 PHE C C 13 172.244 0.300 . 1 . . . . 33 PHE C . 11096 1 279 . 1 1 33 33 PHE CA C 13 56.129 0.300 . 1 . . . . 33 PHE CA . 11096 1 280 . 1 1 33 33 PHE CB C 13 41.812 0.300 . 1 . . . . 33 PHE CB . 11096 1 281 . 1 1 33 33 PHE CD1 C 13 132.479 0.300 . 1 . . . . 33 PHE CD1 . 11096 1 282 . 1 1 33 33 PHE CD2 C 13 132.479 0.300 . 1 . . . . 33 PHE CD2 . 11096 1 283 . 1 1 33 33 PHE CE1 C 13 131.003 0.300 . 1 . . . . 33 PHE CE1 . 11096 1 284 . 1 1 33 33 PHE CE2 C 13 131.003 0.300 . 1 . . . . 33 PHE CE2 . 11096 1 285 . 1 1 33 33 PHE CZ C 13 129.872 0.300 . 1 . . . . 33 PHE CZ . 11096 1 286 . 1 1 33 33 PHE N N 15 112.447 0.300 . 1 . . . . 33 PHE N . 11096 1 287 . 1 1 34 34 VAL H H 1 8.237 0.030 . 1 . . . . 34 VAL H . 11096 1 288 . 1 1 34 34 VAL HA H 1 4.319 0.030 . 1 . . . . 34 VAL HA . 11096 1 289 . 1 1 34 34 VAL HB H 1 1.431 0.030 . 1 . . . . 34 VAL HB . 11096 1 290 . 1 1 34 34 VAL HG11 H 1 0.388 0.030 . 1 . . . . 34 VAL HG1 . 11096 1 291 . 1 1 34 34 VAL HG12 H 1 0.388 0.030 . 1 . . . . 34 VAL HG1 . 11096 1 292 . 1 1 34 34 VAL HG13 H 1 0.388 0.030 . 1 . . . . 34 VAL HG1 . 11096 1 293 . 1 1 34 34 VAL HG21 H 1 0.699 0.030 . 1 . . . . 34 VAL HG2 . 11096 1 294 . 1 1 34 34 VAL HG22 H 1 0.699 0.030 . 1 . . . . 34 VAL HG2 . 11096 1 295 . 1 1 34 34 VAL HG23 H 1 0.699 0.030 . 1 . . . . 34 VAL HG2 . 11096 1 296 . 1 1 34 34 VAL C C 13 173.733 0.300 . 1 . . . . 34 VAL C . 11096 1 297 . 1 1 34 34 VAL CA C 13 61.056 0.300 . 1 . . . . 34 VAL CA . 11096 1 298 . 1 1 34 34 VAL CB C 13 36.972 0.300 . 1 . . . . 34 VAL CB . 11096 1 299 . 1 1 34 34 VAL CG1 C 13 20.897 0.300 . 2 . . . . 34 VAL CG1 . 11096 1 300 . 1 1 34 34 VAL CG2 C 13 21.977 0.300 . 2 . . . . 34 VAL CG2 . 11096 1 301 . 1 1 34 34 VAL N N 15 117.477 0.300 . 1 . . . . 34 VAL N . 11096 1 302 . 1 1 35 35 ARG H H 1 9.375 0.030 . 1 . . . . 35 ARG H . 11096 1 303 . 1 1 35 35 ARG HA H 1 5.193 0.030 . 1 . . . . 35 ARG HA . 11096 1 304 . 1 1 35 35 ARG HB2 H 1 1.751 0.030 . 2 . . . . 35 ARG HB2 . 11096 1 305 . 1 1 35 35 ARG HB3 H 1 1.522 0.030 . 2 . . . . 35 ARG HB3 . 11096 1 306 . 1 1 35 35 ARG HD2 H 1 2.879 0.030 . 2 . . . . 35 ARG HD2 . 11096 1 307 . 1 1 35 35 ARG HG2 H 1 1.099 0.030 . 2 . . . . 35 ARG HG2 . 11096 1 308 . 1 1 35 35 ARG HG3 H 1 1.350 0.030 . 2 . . . . 35 ARG HG3 . 11096 1 309 . 1 1 35 35 ARG C C 13 174.452 0.300 . 1 . . . . 35 ARG C . 11096 1 310 . 1 1 35 35 ARG CA C 13 54.654 0.300 . 1 . . . . 35 ARG CA . 11096 1 311 . 1 1 35 35 ARG CB C 13 32.664 0.300 . 1 . . . . 35 ARG CB . 11096 1 312 . 1 1 35 35 ARG CD C 13 43.493 0.300 . 1 . . . . 35 ARG CD . 11096 1 313 . 1 1 35 35 ARG CG C 13 27.674 0.300 . 1 . . . . 35 ARG CG . 11096 1 314 . 1 1 35 35 ARG N N 15 127.803 0.300 . 1 . . . . 35 ARG N . 11096 1 315 . 1 1 36 36 LEU H H 1 8.581 0.030 . 1 . . . . 36 LEU H . 11096 1 316 . 1 1 36 36 LEU HA H 1 5.007 0.030 . 1 . . . . 36 LEU HA . 11096 1 317 . 1 1 36 36 LEU HB2 H 1 1.606 0.030 . 2 . . . . 36 LEU HB2 . 11096 1 318 . 1 1 36 36 LEU HB3 H 1 1.458 0.030 . 2 . . . . 36 LEU HB3 . 11096 1 319 . 1 1 36 36 LEU HD11 H 1 0.323 0.030 . 1 . . . . 36 LEU HD1 . 11096 1 320 . 1 1 36 36 LEU HD12 H 1 0.323 0.030 . 1 . . . . 36 LEU HD1 . 11096 1 321 . 1 1 36 36 LEU HD13 H 1 0.323 0.030 . 1 . . . . 36 LEU HD1 . 11096 1 322 . 1 1 36 36 LEU HD21 H 1 0.202 0.030 . 1 . . . . 36 LEU HD2 . 11096 1 323 . 1 1 36 36 LEU HD22 H 1 0.202 0.030 . 1 . . . . 36 LEU HD2 . 11096 1 324 . 1 1 36 36 LEU HD23 H 1 0.202 0.030 . 1 . . . . 36 LEU HD2 . 11096 1 325 . 1 1 36 36 LEU HG H 1 1.218 0.030 . 1 . . . . 36 LEU HG . 11096 1 326 . 1 1 36 36 LEU C C 13 174.747 0.300 . 1 . . . . 36 LEU C . 11096 1 327 . 1 1 36 36 LEU CA C 13 53.441 0.300 . 1 . . . . 36 LEU CA . 11096 1 328 . 1 1 36 36 LEU CB C 13 46.302 0.300 . 1 . . . . 36 LEU CB . 11096 1 329 . 1 1 36 36 LEU CD1 C 13 25.735 0.300 . 2 . . . . 36 LEU CD1 . 11096 1 330 . 1 1 36 36 LEU CD2 C 13 23.529 0.300 . 2 . . . . 36 LEU CD2 . 11096 1 331 . 1 1 36 36 LEU CG C 13 26.870 0.300 . 1 . . . . 36 LEU CG . 11096 1 332 . 1 1 36 36 LEU N N 15 128.456 0.300 . 1 . . . . 36 LEU N . 11096 1 333 . 1 1 37 37 SER H H 1 8.693 0.030 . 1 . . . . 37 SER H . 11096 1 334 . 1 1 37 37 SER HA H 1 4.890 0.030 . 1 . . . . 37 SER HA . 11096 1 335 . 1 1 37 37 SER HB2 H 1 3.540 0.030 . 2 . . . . 37 SER HB2 . 11096 1 336 . 1 1 37 37 SER HB3 H 1 3.406 0.030 . 2 . . . . 37 SER HB3 . 11096 1 337 . 1 1 37 37 SER C C 13 172.085 0.300 . 1 . . . . 37 SER C . 11096 1 338 . 1 1 37 37 SER CA C 13 56.094 0.300 . 1 . . . . 37 SER CA . 11096 1 339 . 1 1 37 37 SER CB C 13 66.846 0.300 . 1 . . . . 37 SER CB . 11096 1 340 . 1 1 37 37 SER N N 15 113.949 0.300 . 1 . . . . 37 SER N . 11096 1 341 . 1 1 38 38 TRP H H 1 7.494 0.030 . 1 . . . . 38 TRP H . 11096 1 342 . 1 1 38 38 TRP HA H 1 5.040 0.030 . 1 . . . . 38 TRP HA . 11096 1 343 . 1 1 38 38 TRP HB2 H 1 3.358 0.030 . 2 . . . . 38 TRP HB2 . 11096 1 344 . 1 1 38 38 TRP HB3 H 1 2.985 0.030 . 2 . . . . 38 TRP HB3 . 11096 1 345 . 1 1 38 38 TRP HD1 H 1 6.239 0.030 . 1 . . . . 38 TRP HD1 . 11096 1 346 . 1 1 38 38 TRP HE1 H 1 5.251 0.030 . 1 . . . . 38 TRP HE1 . 11096 1 347 . 1 1 38 38 TRP HE3 H 1 6.773 0.030 . 1 . . . . 38 TRP HE3 . 11096 1 348 . 1 1 38 38 TRP HH2 H 1 6.358 0.030 . 1 . . . . 38 TRP HH2 . 11096 1 349 . 1 1 38 38 TRP HZ2 H 1 6.614 0.030 . 1 . . . . 38 TRP HZ2 . 11096 1 350 . 1 1 38 38 TRP HZ3 H 1 6.369 0.030 . 1 . . . . 38 TRP HZ3 . 11096 1 351 . 1 1 38 38 TRP C C 13 173.233 0.300 . 1 . . . . 38 TRP C . 11096 1 352 . 1 1 38 38 TRP CA C 13 56.776 0.300 . 1 . . . . 38 TRP CA . 11096 1 353 . 1 1 38 38 TRP CB C 13 30.668 0.300 . 1 . . . . 38 TRP CB . 11096 1 354 . 1 1 38 38 TRP CD1 C 13 124.650 0.300 . 1 . . . . 38 TRP CD1 . 11096 1 355 . 1 1 38 38 TRP CE3 C 13 119.420 0.300 . 1 . . . . 38 TRP CE3 . 11096 1 356 . 1 1 38 38 TRP CH2 C 13 122.838 0.300 . 1 . . . . 38 TRP CH2 . 11096 1 357 . 1 1 38 38 TRP CZ2 C 13 113.235 0.300 . 1 . . . . 38 TRP CZ2 . 11096 1 358 . 1 1 38 38 TRP CZ3 C 13 120.688 0.300 . 1 . . . . 38 TRP CZ3 . 11096 1 359 . 1 1 38 38 TRP N N 15 118.022 0.300 . 1 . . . . 38 TRP N . 11096 1 360 . 1 1 39 39 ARG H H 1 9.230 0.030 . 1 . . . . 39 ARG H . 11096 1 361 . 1 1 39 39 ARG HB2 H 1 1.501 0.030 . 2 . . . . 39 ARG HB2 . 11096 1 362 . 1 1 39 39 ARG HB3 H 1 1.849 0.030 . 2 . . . . 39 ARG HB3 . 11096 1 363 . 1 1 39 39 ARG HD2 H 1 3.323 0.030 . 2 . . . . 39 ARG HD2 . 11096 1 364 . 1 1 39 39 ARG HD3 H 1 3.195 0.030 . 2 . . . . 39 ARG HD3 . 11096 1 365 . 1 1 39 39 ARG HG2 H 1 1.360 0.030 . 2 . . . . 39 ARG HG2 . 11096 1 366 . 1 1 39 39 ARG C C 13 174.488 0.300 . 1 . . . . 39 ARG C . 11096 1 367 . 1 1 39 39 ARG CA C 13 52.865 0.300 . 1 . . . . 39 ARG CA . 11096 1 368 . 1 1 39 39 ARG CB C 13 30.865 0.300 . 1 . . . . 39 ARG CB . 11096 1 369 . 1 1 39 39 ARG CD C 13 43.742 0.300 . 1 . . . . 39 ARG CD . 11096 1 370 . 1 1 39 39 ARG N N 15 116.412 0.300 . 1 . . . . 39 ARG N . 11096 1 371 . 1 1 40 40 PRO HA H 1 4.678 0.030 . 1 . . . . 40 PRO HA . 11096 1 372 . 1 1 40 40 PRO HB2 H 1 2.635 0.030 . 2 . . . . 40 PRO HB2 . 11096 1 373 . 1 1 40 40 PRO HB3 H 1 2.026 0.030 . 2 . . . . 40 PRO HB3 . 11096 1 374 . 1 1 40 40 PRO HD2 H 1 3.648 0.030 . 2 . . . . 40 PRO HD2 . 11096 1 375 . 1 1 40 40 PRO HD3 H 1 3.828 0.030 . 2 . . . . 40 PRO HD3 . 11096 1 376 . 1 1 40 40 PRO HG2 H 1 2.199 0.030 . 2 . . . . 40 PRO HG2 . 11096 1 377 . 1 1 40 40 PRO HG3 H 1 2.119 0.030 . 2 . . . . 40 PRO HG3 . 11096 1 378 . 1 1 40 40 PRO CA C 13 61.717 0.300 . 1 . . . . 40 PRO CA . 11096 1 379 . 1 1 40 40 PRO CB C 13 30.818 0.300 . 1 . . . . 40 PRO CB . 11096 1 380 . 1 1 40 40 PRO CD C 13 50.605 0.300 . 1 . . . . 40 PRO CD . 11096 1 381 . 1 1 40 40 PRO CG C 13 27.762 0.300 . 1 . . . . 40 PRO CG . 11096 1 382 . 1 1 41 41 PRO HA H 1 4.293 0.030 . 1 . . . . 41 PRO HA . 11096 1 383 . 1 1 41 41 PRO HB2 H 1 1.425 0.030 . 2 . . . . 41 PRO HB2 . 11096 1 384 . 1 1 41 41 PRO HB3 H 1 2.276 0.030 . 2 . . . . 41 PRO HB3 . 11096 1 385 . 1 1 41 41 PRO HD2 H 1 3.725 0.030 . 2 . . . . 41 PRO HD2 . 11096 1 386 . 1 1 41 41 PRO HD3 H 1 3.788 0.030 . 2 . . . . 41 PRO HD3 . 11096 1 387 . 1 1 41 41 PRO HG2 H 1 1.808 0.030 . 2 . . . . 41 PRO HG2 . 11096 1 388 . 1 1 41 41 PRO HG3 H 1 1.733 0.030 . 2 . . . . 41 PRO HG3 . 11096 1 389 . 1 1 41 41 PRO C C 13 175.615 0.300 . 1 . . . . 41 PRO C . 11096 1 390 . 1 1 41 41 PRO CA C 13 62.418 0.300 . 1 . . . . 41 PRO CA . 11096 1 391 . 1 1 41 41 PRO CB C 13 33.050 0.300 . 1 . . . . 41 PRO CB . 11096 1 392 . 1 1 41 41 PRO CD C 13 50.585 0.300 . 1 . . . . 41 PRO CD . 11096 1 393 . 1 1 41 41 PRO CG C 13 28.299 0.300 . 1 . . . . 41 PRO CG . 11096 1 394 . 1 1 42 42 ALA H H 1 9.030 0.030 . 1 . . . . 42 ALA H . 11096 1 395 . 1 1 42 42 ALA HA H 1 3.959 0.030 . 1 . . . . 42 ALA HA . 11096 1 396 . 1 1 42 42 ALA HB1 H 1 1.362 0.030 . 1 . . . . 42 ALA HB . 11096 1 397 . 1 1 42 42 ALA HB2 H 1 1.362 0.030 . 1 . . . . 42 ALA HB . 11096 1 398 . 1 1 42 42 ALA HB3 H 1 1.362 0.030 . 1 . . . . 42 ALA HB . 11096 1 399 . 1 1 42 42 ALA C C 13 178.182 0.300 . 1 . . . . 42 ALA C . 11096 1 400 . 1 1 42 42 ALA CA C 13 54.731 0.300 . 1 . . . . 42 ALA CA . 11096 1 401 . 1 1 42 42 ALA CB C 13 18.639 0.300 . 1 . . . . 42 ALA CB . 11096 1 402 . 1 1 42 42 ALA N N 15 125.322 0.300 . 1 . . . . 42 ALA N . 11096 1 403 . 1 1 43 43 GLU H H 1 8.078 0.030 . 1 . . . . 43 GLU H . 11096 1 404 . 1 1 43 43 GLU HA H 1 4.528 0.030 . 1 . . . . 43 GLU HA . 11096 1 405 . 1 1 43 43 GLU HB2 H 1 1.873 0.030 . 2 . . . . 43 GLU HB2 . 11096 1 406 . 1 1 43 43 GLU HG2 H 1 2.130 0.030 . 2 . . . . 43 GLU HG2 . 11096 1 407 . 1 1 43 43 GLU HG3 H 1 2.104 0.030 . 2 . . . . 43 GLU HG3 . 11096 1 408 . 1 1 43 43 GLU C C 13 174.778 0.300 . 1 . . . . 43 GLU C . 11096 1 409 . 1 1 43 43 GLU CA C 13 54.607 0.300 . 1 . . . . 43 GLU CA . 11096 1 410 . 1 1 43 43 GLU CB C 13 30.709 0.300 . 1 . . . . 43 GLU CB . 11096 1 411 . 1 1 43 43 GLU CG C 13 35.611 0.300 . 1 . . . . 43 GLU CG . 11096 1 412 . 1 1 43 43 GLU N N 15 115.231 0.300 . 1 . . . . 43 GLU N . 11096 1 413 . 1 1 44 44 ALA H H 1 8.578 0.030 . 1 . . . . 44 ALA H . 11096 1 414 . 1 1 44 44 ALA HA H 1 4.010 0.030 . 1 . . . . 44 ALA HA . 11096 1 415 . 1 1 44 44 ALA HB1 H 1 1.422 0.030 . 1 . . . . 44 ALA HB . 11096 1 416 . 1 1 44 44 ALA HB2 H 1 1.422 0.030 . 1 . . . . 44 ALA HB . 11096 1 417 . 1 1 44 44 ALA HB3 H 1 1.422 0.030 . 1 . . . . 44 ALA HB . 11096 1 418 . 1 1 44 44 ALA C C 13 176.603 0.300 . 1 . . . . 44 ALA C . 11096 1 419 . 1 1 44 44 ALA CA C 13 53.792 0.300 . 1 . . . . 44 ALA CA . 11096 1 420 . 1 1 44 44 ALA CB C 13 19.630 0.300 . 1 . . . . 44 ALA CB . 11096 1 421 . 1 1 44 44 ALA N N 15 127.143 0.300 . 1 . . . . 44 ALA N . 11096 1 422 . 1 1 45 45 LYS H H 1 8.413 0.030 . 1 . . . . 45 LYS H . 11096 1 423 . 1 1 45 45 LYS HA H 1 3.936 0.030 . 1 . . . . 45 LYS HA . 11096 1 424 . 1 1 45 45 LYS HB2 H 1 1.722 0.030 . 2 . . . . 45 LYS HB2 . 11096 1 425 . 1 1 45 45 LYS HB3 H 1 1.498 0.030 . 2 . . . . 45 LYS HB3 . 11096 1 426 . 1 1 45 45 LYS HD2 H 1 1.606 0.030 . 2 . . . . 45 LYS HD2 . 11096 1 427 . 1 1 45 45 LYS HD3 H 1 1.359 0.030 . 2 . . . . 45 LYS HD3 . 11096 1 428 . 1 1 45 45 LYS HE2 H 1 2.906 0.030 . 2 . . . . 45 LYS HE2 . 11096 1 429 . 1 1 45 45 LYS HE3 H 1 2.820 0.030 . 2 . . . . 45 LYS HE3 . 11096 1 430 . 1 1 45 45 LYS HG2 H 1 1.159 0.030 . 2 . . . . 45 LYS HG2 . 11096 1 431 . 1 1 45 45 LYS HG3 H 1 1.080 0.030 . 2 . . . . 45 LYS HG3 . 11096 1 432 . 1 1 45 45 LYS C C 13 175.413 0.300 . 1 . . . . 45 LYS C . 11096 1 433 . 1 1 45 45 LYS CA C 13 56.005 0.300 . 1 . . . . 45 LYS CA . 11096 1 434 . 1 1 45 45 LYS CB C 13 30.747 0.300 . 1 . . . . 45 LYS CB . 11096 1 435 . 1 1 45 45 LYS CD C 13 29.149 0.300 . 1 . . . . 45 LYS CD . 11096 1 436 . 1 1 45 45 LYS CE C 13 42.907 0.300 . 1 . . . . 45 LYS CE . 11096 1 437 . 1 1 45 45 LYS CG C 13 25.269 0.300 . 1 . . . . 45 LYS CG . 11096 1 438 . 1 1 45 45 LYS N N 15 113.269 0.300 . 1 . . . . 45 LYS N . 11096 1 439 . 1 1 46 46 GLY H H 1 7.772 0.030 . 1 . . . . 46 GLY H . 11096 1 440 . 1 1 46 46 GLY HA2 H 1 4.509 0.030 . 2 . . . . 46 GLY HA2 . 11096 1 441 . 1 1 46 46 GLY HA3 H 1 3.789 0.030 . 2 . . . . 46 GLY HA3 . 11096 1 442 . 1 1 46 46 GLY C C 13 172.587 0.300 . 1 . . . . 46 GLY C . 11096 1 443 . 1 1 46 46 GLY CA C 13 44.928 0.300 . 1 . . . . 46 GLY CA . 11096 1 444 . 1 1 46 46 GLY N N 15 106.137 0.300 . 1 . . . . 46 GLY N . 11096 1 445 . 1 1 47 47 ASN H H 1 9.783 0.030 . 1 . . . . 47 ASN H . 11096 1 446 . 1 1 47 47 ASN HA H 1 4.795 0.030 . 1 . . . . 47 ASN HA . 11096 1 447 . 1 1 47 47 ASN HB2 H 1 2.594 0.030 . 2 . . . . 47 ASN HB2 . 11096 1 448 . 1 1 47 47 ASN HB3 H 1 2.521 0.030 . 2 . . . . 47 ASN HB3 . 11096 1 449 . 1 1 47 47 ASN HD21 H 1 7.770 0.030 . 2 . . . . 47 ASN HD21 . 11096 1 450 . 1 1 47 47 ASN HD22 H 1 6.908 0.030 . 2 . . . . 47 ASN HD22 . 11096 1 451 . 1 1 47 47 ASN C C 13 175.001 0.300 . 1 . . . . 47 ASN C . 11096 1 452 . 1 1 47 47 ASN CA C 13 52.618 0.300 . 1 . . . . 47 ASN CA . 11096 1 453 . 1 1 47 47 ASN CB C 13 39.772 0.300 . 1 . . . . 47 ASN CB . 11096 1 454 . 1 1 47 47 ASN N N 15 121.829 0.300 . 1 . . . . 47 ASN N . 11096 1 455 . 1 1 47 47 ASN ND2 N 15 114.455 0.300 . 1 . . . . 47 ASN ND2 . 11096 1 456 . 1 1 48 48 ILE H H 1 8.691 0.030 . 1 . . . . 48 ILE H . 11096 1 457 . 1 1 48 48 ILE HA H 1 4.203 0.030 . 1 . . . . 48 ILE HA . 11096 1 458 . 1 1 48 48 ILE HB H 1 1.906 0.030 . 1 . . . . 48 ILE HB . 11096 1 459 . 1 1 48 48 ILE HD11 H 1 0.687 0.030 . 1 . . . . 48 ILE HD1 . 11096 1 460 . 1 1 48 48 ILE HD12 H 1 0.687 0.030 . 1 . . . . 48 ILE HD1 . 11096 1 461 . 1 1 48 48 ILE HD13 H 1 0.687 0.030 . 1 . . . . 48 ILE HD1 . 11096 1 462 . 1 1 48 48 ILE HG12 H 1 1.339 0.030 . 1 . . . . 48 ILE HG12 . 11096 1 463 . 1 1 48 48 ILE HG13 H 1 1.339 0.030 . 1 . . . . 48 ILE HG13 . 11096 1 464 . 1 1 48 48 ILE HG21 H 1 0.373 0.030 . 1 . . . . 48 ILE HG2 . 11096 1 465 . 1 1 48 48 ILE HG22 H 1 0.373 0.030 . 1 . . . . 48 ILE HG2 . 11096 1 466 . 1 1 48 48 ILE HG23 H 1 0.373 0.030 . 1 . . . . 48 ILE HG2 . 11096 1 467 . 1 1 48 48 ILE C C 13 176.483 0.300 . 1 . . . . 48 ILE C . 11096 1 468 . 1 1 48 48 ILE CA C 13 59.812 0.300 . 1 . . . . 48 ILE CA . 11096 1 469 . 1 1 48 48 ILE CB C 13 35.972 0.300 . 1 . . . . 48 ILE CB . 11096 1 470 . 1 1 48 48 ILE CD1 C 13 11.750 0.300 . 1 . . . . 48 ILE CD1 . 11096 1 471 . 1 1 48 48 ILE CG1 C 13 27.423 0.300 . 1 . . . . 48 ILE CG1 . 11096 1 472 . 1 1 48 48 ILE CG2 C 13 18.096 0.300 . 1 . . . . 48 ILE CG2 . 11096 1 473 . 1 1 48 48 ILE N N 15 123.531 0.300 . 1 . . . . 48 ILE N . 11096 1 474 . 1 1 49 49 GLN H H 1 8.850 0.030 . 1 . . . . 49 GLN H . 11096 1 475 . 1 1 49 49 GLN HA H 1 4.269 0.030 . 1 . . . . 49 GLN HA . 11096 1 476 . 1 1 49 49 GLN HB2 H 1 2.015 0.030 . 2 . . . . 49 GLN HB2 . 11096 1 477 . 1 1 49 49 GLN HB3 H 1 1.704 0.030 . 2 . . . . 49 GLN HB3 . 11096 1 478 . 1 1 49 49 GLN HE21 H 1 7.193 0.030 . 2 . . . . 49 GLN HE21 . 11096 1 479 . 1 1 49 49 GLN HE22 H 1 6.862 0.030 . 2 . . . . 49 GLN HE22 . 11096 1 480 . 1 1 49 49 GLN HG2 H 1 2.171 0.030 . 2 . . . . 49 GLN HG2 . 11096 1 481 . 1 1 49 49 GLN HG3 H 1 2.087 0.030 . 2 . . . . 49 GLN HG3 . 11096 1 482 . 1 1 49 49 GLN C C 13 175.589 0.300 . 1 . . . . 49 GLN C . 11096 1 483 . 1 1 49 49 GLN CA C 13 56.203 0.300 . 1 . . . . 49 GLN CA . 11096 1 484 . 1 1 49 49 GLN CB C 13 30.715 0.300 . 1 . . . . 49 GLN CB . 11096 1 485 . 1 1 49 49 GLN CG C 13 33.450 0.300 . 1 . . . . 49 GLN CG . 11096 1 486 . 1 1 49 49 GLN N N 15 126.733 0.300 . 1 . . . . 49 GLN N . 11096 1 487 . 1 1 49 49 GLN NE2 N 15 112.274 0.300 . 1 . . . . 49 GLN NE2 . 11096 1 488 . 1 1 50 50 THR H H 1 7.279 0.030 . 1 . . . . 50 THR H . 11096 1 489 . 1 1 50 50 THR HA H 1 4.320 0.030 . 1 . . . . 50 THR HA . 11096 1 490 . 1 1 50 50 THR HB H 1 3.939 0.030 . 1 . . . . 50 THR HB . 11096 1 491 . 1 1 50 50 THR HG21 H 1 0.739 0.030 . 1 . . . . 50 THR HG2 . 11096 1 492 . 1 1 50 50 THR HG22 H 1 0.739 0.030 . 1 . . . . 50 THR HG2 . 11096 1 493 . 1 1 50 50 THR HG23 H 1 0.739 0.030 . 1 . . . . 50 THR HG2 . 11096 1 494 . 1 1 50 50 THR C C 13 170.799 0.300 . 1 . . . . 50 THR C . 11096 1 495 . 1 1 50 50 THR CA C 13 60.709 0.300 . 1 . . . . 50 THR CA . 11096 1 496 . 1 1 50 50 THR CB C 13 70.601 0.300 . 1 . . . . 50 THR CB . 11096 1 497 . 1 1 50 50 THR CG2 C 13 20.511 0.300 . 1 . . . . 50 THR CG2 . 11096 1 498 . 1 1 50 50 THR N N 15 111.200 0.300 . 1 . . . . 50 THR N . 11096 1 499 . 1 1 51 51 PHE H H 1 8.305 0.030 . 1 . . . . 51 PHE H . 11096 1 500 . 1 1 51 51 PHE HA H 1 5.587 0.030 . 1 . . . . 51 PHE HA . 11096 1 501 . 1 1 51 51 PHE HB2 H 1 2.885 0.030 . 2 . . . . 51 PHE HB2 . 11096 1 502 . 1 1 51 51 PHE HB3 H 1 2.513 0.030 . 2 . . . . 51 PHE HB3 . 11096 1 503 . 1 1 51 51 PHE HD1 H 1 7.308 0.030 . 1 . . . . 51 PHE HD1 . 11096 1 504 . 1 1 51 51 PHE HD2 H 1 7.308 0.030 . 1 . . . . 51 PHE HD2 . 11096 1 505 . 1 1 51 51 PHE HE1 H 1 7.371 0.030 . 1 . . . . 51 PHE HE1 . 11096 1 506 . 1 1 51 51 PHE HE2 H 1 7.371 0.030 . 1 . . . . 51 PHE HE2 . 11096 1 507 . 1 1 51 51 PHE HZ H 1 7.368 0.030 . 1 . . . . 51 PHE HZ . 11096 1 508 . 1 1 51 51 PHE C C 13 174.832 0.300 . 1 . . . . 51 PHE C . 11096 1 509 . 1 1 51 51 PHE CA C 13 56.632 0.300 . 1 . . . . 51 PHE CA . 11096 1 510 . 1 1 51 51 PHE CB C 13 43.167 0.300 . 1 . . . . 51 PHE CB . 11096 1 511 . 1 1 51 51 PHE CD1 C 13 133.460 0.300 . 1 . . . . 51 PHE CD1 . 11096 1 512 . 1 1 51 51 PHE CD2 C 13 133.460 0.300 . 1 . . . . 51 PHE CD2 . 11096 1 513 . 1 1 51 51 PHE CE1 C 13 131.556 0.300 . 1 . . . . 51 PHE CE1 . 11096 1 514 . 1 1 51 51 PHE CE2 C 13 131.556 0.300 . 1 . . . . 51 PHE CE2 . 11096 1 515 . 1 1 51 51 PHE CZ C 13 128.556 0.300 . 1 . . . . 51 PHE CZ . 11096 1 516 . 1 1 51 51 PHE N N 15 118.292 0.300 . 1 . . . . 51 PHE N . 11096 1 517 . 1 1 52 52 THR H H 1 9.190 0.030 . 1 . . . . 52 THR H . 11096 1 518 . 1 1 52 52 THR HA H 1 4.816 0.030 . 1 . . . . 52 THR HA . 11096 1 519 . 1 1 52 52 THR HB H 1 3.567 0.030 . 1 . . . . 52 THR HB . 11096 1 520 . 1 1 52 52 THR HG21 H 1 0.254 0.030 . 1 . . . . 52 THR HG2 . 11096 1 521 . 1 1 52 52 THR HG22 H 1 0.254 0.030 . 1 . . . . 52 THR HG2 . 11096 1 522 . 1 1 52 52 THR HG23 H 1 0.254 0.030 . 1 . . . . 52 THR HG2 . 11096 1 523 . 1 1 52 52 THR C C 13 172.487 0.300 . 1 . . . . 52 THR C . 11096 1 524 . 1 1 52 52 THR CA C 13 62.112 0.300 . 1 . . . . 52 THR CA . 11096 1 525 . 1 1 52 52 THR CB C 13 71.605 0.300 . 1 . . . . 52 THR CB . 11096 1 526 . 1 1 52 52 THR CG2 C 13 22.991 0.300 . 1 . . . . 52 THR CG2 . 11096 1 527 . 1 1 52 52 THR N N 15 117.456 0.300 . 1 . . . . 52 THR N . 11096 1 528 . 1 1 53 53 VAL H H 1 9.048 0.030 . 1 . . . . 53 VAL H . 11096 1 529 . 1 1 53 53 VAL HA H 1 4.635 0.030 . 1 . . . . 53 VAL HA . 11096 1 530 . 1 1 53 53 VAL HB H 1 1.941 0.030 . 1 . . . . 53 VAL HB . 11096 1 531 . 1 1 53 53 VAL HG11 H 1 0.985 0.030 . 1 . . . . 53 VAL HG1 . 11096 1 532 . 1 1 53 53 VAL HG12 H 1 0.985 0.030 . 1 . . . . 53 VAL HG1 . 11096 1 533 . 1 1 53 53 VAL HG13 H 1 0.985 0.030 . 1 . . . . 53 VAL HG1 . 11096 1 534 . 1 1 53 53 VAL HG21 H 1 0.661 0.030 . 1 . . . . 53 VAL HG2 . 11096 1 535 . 1 1 53 53 VAL HG22 H 1 0.661 0.030 . 1 . . . . 53 VAL HG2 . 11096 1 536 . 1 1 53 53 VAL HG23 H 1 0.661 0.030 . 1 . . . . 53 VAL HG2 . 11096 1 537 . 1 1 53 53 VAL C C 13 174.531 0.300 . 1 . . . . 53 VAL C . 11096 1 538 . 1 1 53 53 VAL CA C 13 60.813 0.300 . 1 . . . . 53 VAL CA . 11096 1 539 . 1 1 53 53 VAL CB C 13 32.872 0.300 . 1 . . . . 53 VAL CB . 11096 1 540 . 1 1 53 53 VAL CG1 C 13 22.095 0.300 . 2 . . . . 53 VAL CG1 . 11096 1 541 . 1 1 53 53 VAL CG2 C 13 23.082 0.300 . 2 . . . . 53 VAL CG2 . 11096 1 542 . 1 1 53 53 VAL N N 15 126.175 0.300 . 1 . . . . 53 VAL N . 11096 1 543 . 1 1 54 54 PHE H H 1 9.180 0.030 . 1 . . . . 54 PHE H . 11096 1 544 . 1 1 54 54 PHE HA H 1 5.753 0.030 . 1 . . . . 54 PHE HA . 11096 1 545 . 1 1 54 54 PHE HB2 H 1 2.788 0.030 . 2 . . . . 54 PHE HB2 . 11096 1 546 . 1 1 54 54 PHE HB3 H 1 2.640 0.030 . 2 . . . . 54 PHE HB3 . 11096 1 547 . 1 1 54 54 PHE HD1 H 1 6.879 0.030 . 1 . . . . 54 PHE HD1 . 11096 1 548 . 1 1 54 54 PHE HD2 H 1 6.879 0.030 . 1 . . . . 54 PHE HD2 . 11096 1 549 . 1 1 54 54 PHE HE1 H 1 7.145 0.030 . 1 . . . . 54 PHE HE1 . 11096 1 550 . 1 1 54 54 PHE HE2 H 1 7.145 0.030 . 1 . . . . 54 PHE HE2 . 11096 1 551 . 1 1 54 54 PHE HZ H 1 7.252 0.030 . 1 . . . . 54 PHE HZ . 11096 1 552 . 1 1 54 54 PHE C C 13 176.697 0.300 . 1 . . . . 54 PHE C . 11096 1 553 . 1 1 54 54 PHE CA C 13 56.403 0.300 . 1 . . . . 54 PHE CA . 11096 1 554 . 1 1 54 54 PHE CB C 13 42.088 0.300 . 1 . . . . 54 PHE CB . 11096 1 555 . 1 1 54 54 PHE CD1 C 13 131.920 0.300 . 1 . . . . 54 PHE CD1 . 11096 1 556 . 1 1 54 54 PHE CD2 C 13 131.920 0.300 . 1 . . . . 54 PHE CD2 . 11096 1 557 . 1 1 54 54 PHE CE1 C 13 130.985 0.300 . 1 . . . . 54 PHE CE1 . 11096 1 558 . 1 1 54 54 PHE CE2 C 13 130.985 0.300 . 1 . . . . 54 PHE CE2 . 11096 1 559 . 1 1 54 54 PHE CZ C 13 129.624 0.300 . 1 . . . . 54 PHE CZ . 11096 1 560 . 1 1 54 54 PHE N N 15 126.255 0.300 . 1 . . . . 54 PHE N . 11096 1 561 . 1 1 55 55 PHE H H 1 9.075 0.030 . 1 . . . . 55 PHE H . 11096 1 562 . 1 1 55 55 PHE HA H 1 6.006 0.030 . 1 . . . . 55 PHE HA . 11096 1 563 . 1 1 55 55 PHE HB2 H 1 3.003 0.030 . 2 . . . . 55 PHE HB2 . 11096 1 564 . 1 1 55 55 PHE HB3 H 1 2.241 0.030 . 2 . . . . 55 PHE HB3 . 11096 1 565 . 1 1 55 55 PHE HD1 H 1 6.853 0.030 . 1 . . . . 55 PHE HD1 . 11096 1 566 . 1 1 55 55 PHE HD2 H 1 6.853 0.030 . 1 . . . . 55 PHE HD2 . 11096 1 567 . 1 1 55 55 PHE HE1 H 1 7.021 0.030 . 1 . . . . 55 PHE HE1 . 11096 1 568 . 1 1 55 55 PHE HE2 H 1 7.021 0.030 . 1 . . . . 55 PHE HE2 . 11096 1 569 . 1 1 55 55 PHE HZ H 1 7.198 0.030 . 1 . . . . 55 PHE HZ . 11096 1 570 . 1 1 55 55 PHE C C 13 173.908 0.300 . 1 . . . . 55 PHE C . 11096 1 571 . 1 1 55 55 PHE CA C 13 54.959 0.300 . 1 . . . . 55 PHE CA . 11096 1 572 . 1 1 55 55 PHE CB C 13 44.004 0.300 . 1 . . . . 55 PHE CB . 11096 1 573 . 1 1 55 55 PHE CD1 C 13 132.111 0.300 . 1 . . . . 55 PHE CD1 . 11096 1 574 . 1 1 55 55 PHE CD2 C 13 132.111 0.300 . 1 . . . . 55 PHE CD2 . 11096 1 575 . 1 1 55 55 PHE CE1 C 13 131.173 0.300 . 1 . . . . 55 PHE CE1 . 11096 1 576 . 1 1 55 55 PHE CE2 C 13 131.173 0.300 . 1 . . . . 55 PHE CE2 . 11096 1 577 . 1 1 55 55 PHE CZ C 13 130.332 0.300 . 1 . . . . 55 PHE CZ . 11096 1 578 . 1 1 55 55 PHE N N 15 117.700 0.300 . 1 . . . . 55 PHE N . 11096 1 579 . 1 1 56 56 SER H H 1 8.287 0.030 . 1 . . . . 56 SER H . 11096 1 580 . 1 1 56 56 SER HA H 1 4.773 0.030 . 1 . . . . 56 SER HA . 11096 1 581 . 1 1 56 56 SER HB2 H 1 3.749 0.030 . 1 . . . . 56 SER HB2 . 11096 1 582 . 1 1 56 56 SER HB3 H 1 3.749 0.030 . 1 . . . . 56 SER HB3 . 11096 1 583 . 1 1 56 56 SER C C 13 172.268 0.300 . 1 . . . . 56 SER C . 11096 1 584 . 1 1 56 56 SER CA C 13 56.685 0.300 . 1 . . . . 56 SER CA . 11096 1 585 . 1 1 56 56 SER CB C 13 66.141 0.300 . 1 . . . . 56 SER CB . 11096 1 586 . 1 1 56 56 SER N N 15 113.003 0.300 . 1 . . . . 56 SER N . 11096 1 587 . 1 1 57 57 ARG H H 1 8.796 0.030 . 1 . . . . 57 ARG H . 11096 1 588 . 1 1 57 57 ARG HA H 1 4.226 0.030 . 1 . . . . 57 ARG HA . 11096 1 589 . 1 1 57 57 ARG HB2 H 1 1.381 0.030 . 1 . . . . 57 ARG HB2 . 11096 1 590 . 1 1 57 57 ARG HB3 H 1 1.381 0.030 . 1 . . . . 57 ARG HB3 . 11096 1 591 . 1 1 57 57 ARG HD2 H 1 2.957 0.030 . 1 . . . . 57 ARG HD2 . 11096 1 592 . 1 1 57 57 ARG HD3 H 1 2.957 0.030 . 1 . . . . 57 ARG HD3 . 11096 1 593 . 1 1 57 57 ARG HG2 H 1 0.980 0.030 . 2 . . . . 57 ARG HG2 . 11096 1 594 . 1 1 57 57 ARG HG3 H 1 1.432 0.030 . 2 . . . . 57 ARG HG3 . 11096 1 595 . 1 1 57 57 ARG C C 13 176.151 0.300 . 1 . . . . 57 ARG C . 11096 1 596 . 1 1 57 57 ARG CA C 13 54.617 0.300 . 1 . . . . 57 ARG CA . 11096 1 597 . 1 1 57 57 ARG CB C 13 31.596 0.300 . 1 . . . . 57 ARG CB . 11096 1 598 . 1 1 57 57 ARG CD C 13 43.510 0.300 . 1 . . . . 57 ARG CD . 11096 1 599 . 1 1 57 57 ARG CG C 13 27.077 0.300 . 1 . . . . 57 ARG CG . 11096 1 600 . 1 1 57 57 ARG N N 15 123.743 0.300 . 1 . . . . 57 ARG N . 11096 1 601 . 1 1 58 58 GLU H H 1 8.234 0.030 . 1 . . . . 58 GLU H . 11096 1 602 . 1 1 58 58 GLU HA H 1 3.916 0.030 . 1 . . . . 58 GLU HA . 11096 1 603 . 1 1 58 58 GLU HB2 H 1 1.856 0.030 . 2 . . . . 58 GLU HB2 . 11096 1 604 . 1 1 58 58 GLU HB3 H 1 1.808 0.030 . 2 . . . . 58 GLU HB3 . 11096 1 605 . 1 1 58 58 GLU HG2 H 1 2.107 0.030 . 1 . . . . 58 GLU HG2 . 11096 1 606 . 1 1 58 58 GLU HG3 H 1 2.107 0.030 . 1 . . . . 58 GLU HG3 . 11096 1 607 . 1 1 58 58 GLU C C 13 177.191 0.300 . 1 . . . . 58 GLU C . 11096 1 608 . 1 1 58 58 GLU CA C 13 58.371 0.300 . 1 . . . . 58 GLU CA . 11096 1 609 . 1 1 58 58 GLU CB C 13 29.566 0.300 . 1 . . . . 58 GLU CB . 11096 1 610 . 1 1 58 58 GLU CG C 13 35.819 0.300 . 1 . . . . 58 GLU CG . 11096 1 611 . 1 1 58 58 GLU N N 15 126.196 0.300 . 1 . . . . 58 GLU N . 11096 1 612 . 1 1 59 59 GLY H H 1 8.821 0.030 . 1 . . . . 59 GLY H . 11096 1 613 . 1 1 59 59 GLY HA2 H 1 3.562 0.030 . 2 . . . . 59 GLY HA2 . 11096 1 614 . 1 1 59 59 GLY HA3 H 1 4.274 0.030 . 2 . . . . 59 GLY HA3 . 11096 1 615 . 1 1 59 59 GLY C C 13 174.008 0.300 . 1 . . . . 59 GLY C . 11096 1 616 . 1 1 59 59 GLY CA C 13 45.037 0.300 . 1 . . . . 59 GLY CA . 11096 1 617 . 1 1 59 59 GLY N N 15 115.732 0.300 . 1 . . . . 59 GLY N . 11096 1 618 . 1 1 60 60 ASP H H 1 8.096 0.030 . 1 . . . . 60 ASP H . 11096 1 619 . 1 1 60 60 ASP HA H 1 4.667 0.030 . 1 . . . . 60 ASP HA . 11096 1 620 . 1 1 60 60 ASP HB2 H 1 2.615 0.030 . 2 . . . . 60 ASP HB2 . 11096 1 621 . 1 1 60 60 ASP HB3 H 1 2.850 0.030 . 2 . . . . 60 ASP HB3 . 11096 1 622 . 1 1 60 60 ASP C C 13 176.338 0.300 . 1 . . . . 60 ASP C . 11096 1 623 . 1 1 60 60 ASP CA C 13 53.932 0.300 . 1 . . . . 60 ASP CA . 11096 1 624 . 1 1 60 60 ASP CB C 13 42.285 0.300 . 1 . . . . 60 ASP CB . 11096 1 625 . 1 1 60 60 ASP N N 15 121.358 0.300 . 1 . . . . 60 ASP N . 11096 1 626 . 1 1 61 61 ASN HA H 1 4.527 0.030 . 1 . . . . 61 ASN HA . 11096 1 627 . 1 1 61 61 ASN HB2 H 1 2.824 0.030 . 2 . . . . 61 ASN HB2 . 11096 1 628 . 1 1 61 61 ASN HB3 H 1 2.782 0.030 . 2 . . . . 61 ASN HB3 . 11096 1 629 . 1 1 61 61 ASN HD21 H 1 7.520 0.030 . 2 . . . . 61 ASN HD21 . 11096 1 630 . 1 1 61 61 ASN HD22 H 1 6.833 0.030 . 2 . . . . 61 ASN HD22 . 11096 1 631 . 1 1 61 61 ASN C C 13 174.790 0.300 . 1 . . . . 61 ASN C . 11096 1 632 . 1 1 61 61 ASN CA C 13 53.656 0.300 . 1 . . . . 61 ASN CA . 11096 1 633 . 1 1 61 61 ASN CB C 13 38.310 0.300 . 1 . . . . 61 ASN CB . 11096 1 634 . 1 1 61 61 ASN ND2 N 15 112.227 0.300 . 1 . . . . 61 ASN ND2 . 11096 1 635 . 1 1 62 62 ARG H H 1 7.643 0.030 . 1 . . . . 62 ARG H . 11096 1 636 . 1 1 62 62 ARG HA H 1 4.387 0.030 . 1 . . . . 62 ARG HA . 11096 1 637 . 1 1 62 62 ARG HB2 H 1 1.725 0.030 . 1 . . . . 62 ARG HB2 . 11096 1 638 . 1 1 62 62 ARG HB3 H 1 1.725 0.030 . 1 . . . . 62 ARG HB3 . 11096 1 639 . 1 1 62 62 ARG HD2 H 1 3.134 0.030 . 2 . . . . 62 ARG HD2 . 11096 1 640 . 1 1 62 62 ARG HG2 H 1 1.494 0.030 . 1 . . . . 62 ARG HG2 . 11096 1 641 . 1 1 62 62 ARG HG3 H 1 1.494 0.030 . 1 . . . . 62 ARG HG3 . 11096 1 642 . 1 1 62 62 ARG C C 13 175.049 0.300 . 1 . . . . 62 ARG C . 11096 1 643 . 1 1 62 62 ARG CA C 13 55.322 0.300 . 1 . . . . 62 ARG CA . 11096 1 644 . 1 1 62 62 ARG CB C 13 31.541 0.300 . 1 . . . . 62 ARG CB . 11096 1 645 . 1 1 62 62 ARG CD C 13 43.435 0.300 . 1 . . . . 62 ARG CD . 11096 1 646 . 1 1 62 62 ARG CG C 13 26.357 0.300 . 1 . . . . 62 ARG CG . 11096 1 647 . 1 1 62 62 ARG N N 15 118.531 0.300 . 1 . . . . 62 ARG N . 11096 1 648 . 1 1 63 63 GLU H H 1 8.658 0.030 . 1 . . . . 63 GLU H . 11096 1 649 . 1 1 63 63 GLU HA H 1 4.370 0.030 . 1 . . . . 63 GLU HA . 11096 1 650 . 1 1 63 63 GLU HB2 H 1 1.973 0.030 . 2 . . . . 63 GLU HB2 . 11096 1 651 . 1 1 63 63 GLU HB3 H 1 1.855 0.030 . 2 . . . . 63 GLU HB3 . 11096 1 652 . 1 1 63 63 GLU HG2 H 1 2.130 0.030 . 2 . . . . 63 GLU HG2 . 11096 1 653 . 1 1 63 63 GLU HG3 H 1 1.980 0.030 . 2 . . . . 63 GLU HG3 . 11096 1 654 . 1 1 63 63 GLU C C 13 176.498 0.300 . 1 . . . . 63 GLU C . 11096 1 655 . 1 1 63 63 GLU CA C 13 55.793 0.300 . 1 . . . . 63 GLU CA . 11096 1 656 . 1 1 63 63 GLU CB C 13 31.874 0.300 . 1 . . . . 63 GLU CB . 11096 1 657 . 1 1 63 63 GLU CG C 13 37.813 0.300 . 1 . . . . 63 GLU CG . 11096 1 658 . 1 1 63 63 GLU N N 15 123.793 0.300 . 1 . . . . 63 GLU N . 11096 1 659 . 1 1 64 64 ARG H H 1 8.358 0.030 . 1 . . . . 64 ARG H . 11096 1 660 . 1 1 64 64 ARG HA H 1 4.315 0.030 . 1 . . . . 64 ARG HA . 11096 1 661 . 1 1 64 64 ARG HB2 H 1 1.381 0.030 . 2 . . . . 64 ARG HB2 . 11096 1 662 . 1 1 64 64 ARG HB3 H 1 0.324 0.030 . 2 . . . . 64 ARG HB3 . 11096 1 663 . 1 1 64 64 ARG HD2 H 1 3.068 0.030 . 1 . . . . 64 ARG HD2 . 11096 1 664 . 1 1 64 64 ARG HD3 H 1 3.068 0.030 . 1 . . . . 64 ARG HD3 . 11096 1 665 . 1 1 64 64 ARG HG2 H 1 1.441 0.030 . 1 . . . . 64 ARG HG2 . 11096 1 666 . 1 1 64 64 ARG HG3 H 1 1.441 0.030 . 1 . . . . 64 ARG HG3 . 11096 1 667 . 1 1 64 64 ARG C C 13 173.380 0.300 . 1 . . . . 64 ARG C . 11096 1 668 . 1 1 64 64 ARG CA C 13 54.863 0.300 . 1 . . . . 64 ARG CA . 11096 1 669 . 1 1 64 64 ARG CB C 13 32.939 0.300 . 1 . . . . 64 ARG CB . 11096 1 670 . 1 1 64 64 ARG CD C 13 43.561 0.300 . 1 . . . . 64 ARG CD . 11096 1 671 . 1 1 64 64 ARG CG C 13 27.847 0.300 . 1 . . . . 64 ARG CG . 11096 1 672 . 1 1 64 64 ARG N N 15 125.095 0.300 . 1 . . . . 64 ARG N . 11096 1 673 . 1 1 65 65 ALA H H 1 7.900 0.030 . 1 . . . . 65 ALA H . 11096 1 674 . 1 1 65 65 ALA HA H 1 5.368 0.030 . 1 . . . . 65 ALA HA . 11096 1 675 . 1 1 65 65 ALA HB1 H 1 0.911 0.030 . 1 . . . . 65 ALA HB . 11096 1 676 . 1 1 65 65 ALA HB2 H 1 0.911 0.030 . 1 . . . . 65 ALA HB . 11096 1 677 . 1 1 65 65 ALA HB3 H 1 0.911 0.030 . 1 . . . . 65 ALA HB . 11096 1 678 . 1 1 65 65 ALA C C 13 177.576 0.300 . 1 . . . . 65 ALA C . 11096 1 679 . 1 1 65 65 ALA CA C 13 50.717 0.300 . 1 . . . . 65 ALA CA . 11096 1 680 . 1 1 65 65 ALA CB C 13 23.359 0.300 . 1 . . . . 65 ALA CB . 11096 1 681 . 1 1 65 65 ALA N N 15 120.621 0.300 . 1 . . . . 65 ALA N . 11096 1 682 . 1 1 66 66 LEU H H 1 8.924 0.030 . 1 . . . . 66 LEU H . 11096 1 683 . 1 1 66 66 LEU HA H 1 4.618 0.030 . 1 . . . . 66 LEU HA . 11096 1 684 . 1 1 66 66 LEU HB2 H 1 1.503 0.030 . 2 . . . . 66 LEU HB2 . 11096 1 685 . 1 1 66 66 LEU HB3 H 1 1.676 0.030 . 2 . . . . 66 LEU HB3 . 11096 1 686 . 1 1 66 66 LEU HD11 H 1 1.083 0.030 . 1 . . . . 66 LEU HD1 . 11096 1 687 . 1 1 66 66 LEU HD12 H 1 1.083 0.030 . 1 . . . . 66 LEU HD1 . 11096 1 688 . 1 1 66 66 LEU HD13 H 1 1.083 0.030 . 1 . . . . 66 LEU HD1 . 11096 1 689 . 1 1 66 66 LEU HD21 H 1 1.053 0.030 . 1 . . . . 66 LEU HD2 . 11096 1 690 . 1 1 66 66 LEU HD22 H 1 1.053 0.030 . 1 . . . . 66 LEU HD2 . 11096 1 691 . 1 1 66 66 LEU HD23 H 1 1.053 0.030 . 1 . . . . 66 LEU HD2 . 11096 1 692 . 1 1 66 66 LEU HG H 1 1.719 0.030 . 1 . . . . 66 LEU HG . 11096 1 693 . 1 1 66 66 LEU C C 13 174.023 0.300 . 1 . . . . 66 LEU C . 11096 1 694 . 1 1 66 66 LEU CA C 13 54.468 0.300 . 1 . . . . 66 LEU CA . 11096 1 695 . 1 1 66 66 LEU CB C 13 47.234 0.300 . 1 . . . . 66 LEU CB . 11096 1 696 . 1 1 66 66 LEU CD1 C 13 25.562 0.300 . 2 . . . . 66 LEU CD1 . 11096 1 697 . 1 1 66 66 LEU CD2 C 13 25.399 0.300 . 2 . . . . 66 LEU CD2 . 11096 1 698 . 1 1 66 66 LEU CG C 13 27.446 0.300 . 1 . . . . 66 LEU CG . 11096 1 699 . 1 1 66 66 LEU N N 15 123.963 0.300 . 1 . . . . 66 LEU N . 11096 1 700 . 1 1 67 67 ASN H H 1 8.410 0.030 . 1 . . . . 67 ASN H . 11096 1 701 . 1 1 67 67 ASN HA H 1 5.716 0.030 . 1 . . . . 67 ASN HA . 11096 1 702 . 1 1 67 67 ASN HB2 H 1 2.818 0.030 . 2 . . . . 67 ASN HB2 . 11096 1 703 . 1 1 67 67 ASN HB3 H 1 2.594 0.030 . 2 . . . . 67 ASN HB3 . 11096 1 704 . 1 1 67 67 ASN HD21 H 1 7.328 0.030 . 2 . . . . 67 ASN HD21 . 11096 1 705 . 1 1 67 67 ASN HD22 H 1 6.653 0.030 . 2 . . . . 67 ASN HD22 . 11096 1 706 . 1 1 67 67 ASN C C 13 176.853 0.300 . 1 . . . . 67 ASN C . 11096 1 707 . 1 1 67 67 ASN CA C 13 51.457 0.300 . 1 . . . . 67 ASN CA . 11096 1 708 . 1 1 67 67 ASN CB C 13 40.518 0.300 . 1 . . . . 67 ASN CB . 11096 1 709 . 1 1 67 67 ASN N N 15 120.741 0.300 . 1 . . . . 67 ASN N . 11096 1 710 . 1 1 67 67 ASN ND2 N 15 113.255 0.300 . 1 . . . . 67 ASN ND2 . 11096 1 711 . 1 1 68 68 THR H H 1 8.686 0.030 . 1 . . . . 68 THR H . 11096 1 712 . 1 1 68 68 THR HA H 1 4.432 0.030 . 1 . . . . 68 THR HA . 11096 1 713 . 1 1 68 68 THR HB H 1 4.348 0.030 . 1 . . . . 68 THR HB . 11096 1 714 . 1 1 68 68 THR HG21 H 1 1.191 0.030 . 1 . . . . 68 THR HG2 . 11096 1 715 . 1 1 68 68 THR HG22 H 1 1.191 0.030 . 1 . . . . 68 THR HG2 . 11096 1 716 . 1 1 68 68 THR HG23 H 1 1.191 0.030 . 1 . . . . 68 THR HG2 . 11096 1 717 . 1 1 68 68 THR C C 13 175.710 0.300 . 1 . . . . 68 THR C . 11096 1 718 . 1 1 68 68 THR CA C 13 62.381 0.300 . 1 . . . . 68 THR CA . 11096 1 719 . 1 1 68 68 THR CB C 13 69.876 0.300 . 1 . . . . 68 THR CB . 11096 1 720 . 1 1 68 68 THR CG2 C 13 21.857 0.300 . 1 . . . . 68 THR CG2 . 11096 1 721 . 1 1 68 68 THR N N 15 110.122 0.300 . 1 . . . . 68 THR N . 11096 1 722 . 1 1 69 69 THR H H 1 6.515 0.030 . 1 . . . . 69 THR H . 11096 1 723 . 1 1 69 69 THR HA H 1 4.518 0.030 . 1 . . . . 69 THR HA . 11096 1 724 . 1 1 69 69 THR HB H 1 4.699 0.030 . 1 . . . . 69 THR HB . 11096 1 725 . 1 1 69 69 THR HG21 H 1 1.680 0.030 . 1 . . . . 69 THR HG2 . 11096 1 726 . 1 1 69 69 THR HG22 H 1 1.680 0.030 . 1 . . . . 69 THR HG2 . 11096 1 727 . 1 1 69 69 THR HG23 H 1 1.680 0.030 . 1 . . . . 69 THR HG2 . 11096 1 728 . 1 1 69 69 THR C C 13 174.776 0.300 . 1 . . . . 69 THR C . 11096 1 729 . 1 1 69 69 THR CA C 13 62.039 0.300 . 1 . . . . 69 THR CA . 11096 1 730 . 1 1 69 69 THR CB C 13 70.312 0.300 . 1 . . . . 69 THR CB . 11096 1 731 . 1 1 69 69 THR CG2 C 13 23.843 0.300 . 1 . . . . 69 THR CG2 . 11096 1 732 . 1 1 70 70 GLN H H 1 7.822 0.030 . 1 . . . . 70 GLN H . 11096 1 733 . 1 1 70 70 GLN HA H 1 4.901 0.030 . 1 . . . . 70 GLN HA . 11096 1 734 . 1 1 70 70 GLN HB2 H 1 1.994 0.030 . 2 . . . . 70 GLN HB2 . 11096 1 735 . 1 1 70 70 GLN HB3 H 1 2.105 0.030 . 2 . . . . 70 GLN HB3 . 11096 1 736 . 1 1 70 70 GLN HE21 H 1 7.540 0.030 . 2 . . . . 70 GLN HE21 . 11096 1 737 . 1 1 70 70 GLN HE22 H 1 6.879 0.030 . 2 . . . . 70 GLN HE22 . 11096 1 738 . 1 1 70 70 GLN HG2 H 1 2.369 0.030 . 1 . . . . 70 GLN HG2 . 11096 1 739 . 1 1 70 70 GLN HG3 H 1 2.369 0.030 . 1 . . . . 70 GLN HG3 . 11096 1 740 . 1 1 70 70 GLN C C 13 174.454 0.300 . 1 . . . . 70 GLN C . 11096 1 741 . 1 1 70 70 GLN CA C 13 52.997 0.300 . 1 . . . . 70 GLN CA . 11096 1 742 . 1 1 70 70 GLN CB C 13 29.713 0.300 . 1 . . . . 70 GLN CB . 11096 1 743 . 1 1 70 70 GLN CG C 13 33.165 0.300 . 1 . . . . 70 GLN CG . 11096 1 744 . 1 1 70 70 GLN N N 15 121.679 0.300 . 1 . . . . 70 GLN N . 11096 1 745 . 1 1 70 70 GLN NE2 N 15 112.505 0.300 . 1 . . . . 70 GLN NE2 . 11096 1 746 . 1 1 71 71 PRO HA H 1 4.425 0.030 . 1 . . . . 71 PRO HA . 11096 1 747 . 1 1 71 71 PRO HB2 H 1 2.326 0.030 . 2 . . . . 71 PRO HB2 . 11096 1 748 . 1 1 71 71 PRO HB3 H 1 1.930 0.030 . 2 . . . . 71 PRO HB3 . 11096 1 749 . 1 1 71 71 PRO HD2 H 1 3.731 0.030 . 2 . . . . 71 PRO HD2 . 11096 1 750 . 1 1 71 71 PRO HD3 H 1 3.952 0.030 . 2 . . . . 71 PRO HD3 . 11096 1 751 . 1 1 71 71 PRO HG2 H 1 2.108 0.030 . 2 . . . . 71 PRO HG2 . 11096 1 752 . 1 1 71 71 PRO HG3 H 1 2.024 0.030 . 2 . . . . 71 PRO HG3 . 11096 1 753 . 1 1 71 71 PRO C C 13 177.716 0.300 . 1 . . . . 71 PRO C . 11096 1 754 . 1 1 71 71 PRO CA C 13 63.946 0.300 . 1 . . . . 71 PRO CA . 11096 1 755 . 1 1 71 71 PRO CB C 13 31.900 0.300 . 1 . . . . 71 PRO CB . 11096 1 756 . 1 1 71 71 PRO CD C 13 51.272 0.300 . 1 . . . . 71 PRO CD . 11096 1 757 . 1 1 71 71 PRO CG C 13 27.558 0.300 . 1 . . . . 71 PRO CG . 11096 1 758 . 1 1 72 72 GLY H H 1 8.938 0.030 . 1 . . . . 72 GLY H . 11096 1 759 . 1 1 72 72 GLY HA2 H 1 4.083 0.030 . 2 . . . . 72 GLY HA2 . 11096 1 760 . 1 1 72 72 GLY HA3 H 1 3.858 0.030 . 2 . . . . 72 GLY HA3 . 11096 1 761 . 1 1 72 72 GLY C C 13 174.332 0.300 . 1 . . . . 72 GLY C . 11096 1 762 . 1 1 72 72 GLY CA C 13 45.484 0.300 . 1 . . . . 72 GLY CA . 11096 1 763 . 1 1 72 72 GLY N N 15 111.037 0.300 . 1 . . . . 72 GLY N . 11096 1 764 . 1 1 73 73 SER H H 1 7.549 0.030 . 1 . . . . 73 SER H . 11096 1 765 . 1 1 73 73 SER HA H 1 4.245 0.030 . 1 . . . . 73 SER HA . 11096 1 766 . 1 1 73 73 SER HB2 H 1 4.004 0.030 . 2 . . . . 73 SER HB2 . 11096 1 767 . 1 1 73 73 SER HB3 H 1 3.964 0.030 . 2 . . . . 73 SER HB3 . 11096 1 768 . 1 1 73 73 SER C C 13 174.078 0.300 . 1 . . . . 73 SER C . 11096 1 769 . 1 1 73 73 SER CA C 13 59.234 0.300 . 1 . . . . 73 SER CA . 11096 1 770 . 1 1 73 73 SER CB C 13 64.332 0.300 . 1 . . . . 73 SER CB . 11096 1 771 . 1 1 73 73 SER N N 15 114.985 0.300 . 1 . . . . 73 SER N . 11096 1 772 . 1 1 74 74 LEU H H 1 8.012 0.030 . 1 . . . . 74 LEU H . 11096 1 773 . 1 1 74 74 LEU HA H 1 3.496 0.030 . 1 . . . . 74 LEU HA . 11096 1 774 . 1 1 74 74 LEU HB2 H 1 1.503 0.030 . 2 . . . . 74 LEU HB2 . 11096 1 775 . 1 1 74 74 LEU HB3 H 1 0.929 0.030 . 2 . . . . 74 LEU HB3 . 11096 1 776 . 1 1 74 74 LEU HD11 H 1 0.858 0.030 . 1 . . . . 74 LEU HD1 . 11096 1 777 . 1 1 74 74 LEU HD12 H 1 0.858 0.030 . 1 . . . . 74 LEU HD1 . 11096 1 778 . 1 1 74 74 LEU HD13 H 1 0.858 0.030 . 1 . . . . 74 LEU HD1 . 11096 1 779 . 1 1 74 74 LEU HD21 H 1 0.582 0.030 . 1 . . . . 74 LEU HD2 . 11096 1 780 . 1 1 74 74 LEU HD22 H 1 0.582 0.030 . 1 . . . . 74 LEU HD2 . 11096 1 781 . 1 1 74 74 LEU HD23 H 1 0.582 0.030 . 1 . . . . 74 LEU HD2 . 11096 1 782 . 1 1 74 74 LEU HG H 1 1.432 0.030 . 1 . . . . 74 LEU HG . 11096 1 783 . 1 1 74 74 LEU C C 13 172.701 0.300 . 1 . . . . 74 LEU C . 11096 1 784 . 1 1 74 74 LEU CA C 13 52.881 0.300 . 1 . . . . 74 LEU CA . 11096 1 785 . 1 1 74 74 LEU CB C 13 40.944 0.300 . 1 . . . . 74 LEU CB . 11096 1 786 . 1 1 74 74 LEU CD1 C 13 26.192 0.300 . 2 . . . . 74 LEU CD1 . 11096 1 787 . 1 1 74 74 LEU CD2 C 13 23.630 0.300 . 2 . . . . 74 LEU CD2 . 11096 1 788 . 1 1 74 74 LEU CG C 13 26.256 0.300 . 1 . . . . 74 LEU CG . 11096 1 789 . 1 1 74 74 LEU N N 15 125.760 0.300 . 1 . . . . 74 LEU N . 11096 1 790 . 1 1 75 75 GLN H H 1 6.556 0.030 . 1 . . . . 75 GLN H . 11096 1 791 . 1 1 75 75 GLN HA H 1 4.423 0.030 . 1 . . . . 75 GLN HA . 11096 1 792 . 1 1 75 75 GLN HB2 H 1 1.600 0.030 . 2 . . . . 75 GLN HB2 . 11096 1 793 . 1 1 75 75 GLN HB3 H 1 1.552 0.030 . 2 . . . . 75 GLN HB3 . 11096 1 794 . 1 1 75 75 GLN HE21 H 1 7.216 0.030 . 2 . . . . 75 GLN HE21 . 11096 1 795 . 1 1 75 75 GLN HE22 H 1 6.657 0.030 . 2 . . . . 75 GLN HE22 . 11096 1 796 . 1 1 75 75 GLN HG2 H 1 1.957 0.030 . 1 . . . . 75 GLN HG2 . 11096 1 797 . 1 1 75 75 GLN HG3 H 1 1.957 0.030 . 1 . . . . 75 GLN HG3 . 11096 1 798 . 1 1 75 75 GLN C C 13 175.050 0.300 . 1 . . . . 75 GLN C . 11096 1 799 . 1 1 75 75 GLN CA C 13 53.385 0.300 . 1 . . . . 75 GLN CA . 11096 1 800 . 1 1 75 75 GLN CB C 13 32.834 0.300 . 1 . . . . 75 GLN CB . 11096 1 801 . 1 1 75 75 GLN CG C 13 33.184 0.300 . 1 . . . . 75 GLN CG . 11096 1 802 . 1 1 75 75 GLN N N 15 110.843 0.300 . 1 . . . . 75 GLN N . 11096 1 803 . 1 1 75 75 GLN NE2 N 15 111.068 0.300 . 1 . . . . 75 GLN NE2 . 11096 1 804 . 1 1 76 76 LEU H H 1 8.097 0.030 . 1 . . . . 76 LEU H . 11096 1 805 . 1 1 76 76 LEU HA H 1 4.385 0.030 . 1 . . . . 76 LEU HA . 11096 1 806 . 1 1 76 76 LEU HB2 H 1 1.712 0.030 . 2 . . . . 76 LEU HB2 . 11096 1 807 . 1 1 76 76 LEU HB3 H 1 1.596 0.030 . 2 . . . . 76 LEU HB3 . 11096 1 808 . 1 1 76 76 LEU HD11 H 1 0.966 0.030 . 1 . . . . 76 LEU HD1 . 11096 1 809 . 1 1 76 76 LEU HD12 H 1 0.966 0.030 . 1 . . . . 76 LEU HD1 . 11096 1 810 . 1 1 76 76 LEU HD13 H 1 0.966 0.030 . 1 . . . . 76 LEU HD1 . 11096 1 811 . 1 1 76 76 LEU HD21 H 1 0.694 0.030 . 1 . . . . 76 LEU HD2 . 11096 1 812 . 1 1 76 76 LEU HD22 H 1 0.694 0.030 . 1 . . . . 76 LEU HD2 . 11096 1 813 . 1 1 76 76 LEU HD23 H 1 0.694 0.030 . 1 . . . . 76 LEU HD2 . 11096 1 814 . 1 1 76 76 LEU HG H 1 1.478 0.030 . 1 . . . . 76 LEU HG . 11096 1 815 . 1 1 76 76 LEU C C 13 174.954 0.300 . 1 . . . . 76 LEU C . 11096 1 816 . 1 1 76 76 LEU CA C 13 55.481 0.300 . 1 . . . . 76 LEU CA . 11096 1 817 . 1 1 76 76 LEU CB C 13 47.022 0.300 . 1 . . . . 76 LEU CB . 11096 1 818 . 1 1 76 76 LEU CD1 C 13 24.138 0.300 . 2 . . . . 76 LEU CD1 . 11096 1 819 . 1 1 76 76 LEU CD2 C 13 26.712 0.300 . 2 . . . . 76 LEU CD2 . 11096 1 820 . 1 1 76 76 LEU CG C 13 26.808 0.300 . 1 . . . . 76 LEU CG . 11096 1 821 . 1 1 76 76 LEU N N 15 118.821 0.300 . 1 . . . . 76 LEU N . 11096 1 822 . 1 1 77 77 THR H H 1 8.692 0.030 . 1 . . . . 77 THR H . 11096 1 823 . 1 1 77 77 THR HA H 1 4.409 0.030 . 1 . . . . 77 THR HA . 11096 1 824 . 1 1 77 77 THR HB H 1 3.880 0.030 . 1 . . . . 77 THR HB . 11096 1 825 . 1 1 77 77 THR HG21 H 1 0.669 0.030 . 1 . . . . 77 THR HG2 . 11096 1 826 . 1 1 77 77 THR HG22 H 1 0.669 0.030 . 1 . . . . 77 THR HG2 . 11096 1 827 . 1 1 77 77 THR HG23 H 1 0.669 0.030 . 1 . . . . 77 THR HG2 . 11096 1 828 . 1 1 77 77 THR C C 13 172.358 0.300 . 1 . . . . 77 THR C . 11096 1 829 . 1 1 77 77 THR CA C 13 63.057 0.300 . 1 . . . . 77 THR CA . 11096 1 830 . 1 1 77 77 THR CB C 13 68.609 0.300 . 1 . . . . 77 THR CB . 11096 1 831 . 1 1 77 77 THR CG2 C 13 22.232 0.300 . 1 . . . . 77 THR CG2 . 11096 1 832 . 1 1 77 77 THR N N 15 123.862 0.300 . 1 . . . . 77 THR N . 11096 1 833 . 1 1 78 78 VAL H H 1 9.034 0.030 . 1 . . . . 78 VAL H . 11096 1 834 . 1 1 78 78 VAL HA H 1 3.636 0.030 . 1 . . . . 78 VAL HA . 11096 1 835 . 1 1 78 78 VAL HB H 1 1.833 0.030 . 1 . . . . 78 VAL HB . 11096 1 836 . 1 1 78 78 VAL HG11 H 1 0.565 0.030 . 1 . . . . 78 VAL HG1 . 11096 1 837 . 1 1 78 78 VAL HG12 H 1 0.565 0.030 . 1 . . . . 78 VAL HG1 . 11096 1 838 . 1 1 78 78 VAL HG13 H 1 0.565 0.030 . 1 . . . . 78 VAL HG1 . 11096 1 839 . 1 1 78 78 VAL HG21 H 1 -0.021 0.030 . 1 . . . . 78 VAL HG2 . 11096 1 840 . 1 1 78 78 VAL HG22 H 1 -0.021 0.030 . 1 . . . . 78 VAL HG2 . 11096 1 841 . 1 1 78 78 VAL HG23 H 1 -0.021 0.030 . 1 . . . . 78 VAL HG2 . 11096 1 842 . 1 1 78 78 VAL C C 13 174.388 0.300 . 1 . . . . 78 VAL C . 11096 1 843 . 1 1 78 78 VAL CA C 13 62.017 0.300 . 1 . . . . 78 VAL CA . 11096 1 844 . 1 1 78 78 VAL CB C 13 30.856 0.300 . 1 . . . . 78 VAL CB . 11096 1 845 . 1 1 78 78 VAL CG1 C 13 19.978 0.300 . 2 . . . . 78 VAL CG1 . 11096 1 846 . 1 1 78 78 VAL CG2 C 13 21.060 0.300 . 2 . . . . 78 VAL CG2 . 11096 1 847 . 1 1 78 78 VAL N N 15 131.161 0.300 . 1 . . . . 78 VAL N . 11096 1 848 . 1 1 79 79 GLY H H 1 7.712 0.030 . 1 . . . . 79 GLY H . 11096 1 849 . 1 1 79 79 GLY HA2 H 1 4.890 0.030 . 2 . . . . 79 GLY HA2 . 11096 1 850 . 1 1 79 79 GLY HA3 H 1 3.559 0.030 . 2 . . . . 79 GLY HA3 . 11096 1 851 . 1 1 79 79 GLY C C 13 172.821 0.300 . 1 . . . . 79 GLY C . 11096 1 852 . 1 1 79 79 GLY CA C 13 43.215 0.300 . 1 . . . . 79 GLY CA . 11096 1 853 . 1 1 79 79 GLY N N 15 112.517 0.300 . 1 . . . . 79 GLY N . 11096 1 854 . 1 1 80 80 ASN H H 1 8.517 0.030 . 1 . . . . 80 ASN H . 11096 1 855 . 1 1 80 80 ASN HA H 1 4.340 0.030 . 1 . . . . 80 ASN HA . 11096 1 856 . 1 1 80 80 ASN HB2 H 1 3.124 0.030 . 2 . . . . 80 ASN HB2 . 11096 1 857 . 1 1 80 80 ASN HB3 H 1 2.800 0.030 . 2 . . . . 80 ASN HB3 . 11096 1 858 . 1 1 80 80 ASN HD21 H 1 7.586 0.030 . 2 . . . . 80 ASN HD21 . 11096 1 859 . 1 1 80 80 ASN HD22 H 1 6.925 0.030 . 2 . . . . 80 ASN HD22 . 11096 1 860 . 1 1 80 80 ASN C C 13 175.108 0.300 . 1 . . . . 80 ASN C . 11096 1 861 . 1 1 80 80 ASN CA C 13 54.249 0.300 . 1 . . . . 80 ASN CA . 11096 1 862 . 1 1 80 80 ASN CB C 13 37.778 0.300 . 1 . . . . 80 ASN CB . 11096 1 863 . 1 1 80 80 ASN N N 15 111.397 0.300 . 1 . . . . 80 ASN N . 11096 1 864 . 1 1 80 80 ASN ND2 N 15 113.224 0.300 . 1 . . . . 80 ASN ND2 . 11096 1 865 . 1 1 81 81 LEU H H 1 8.319 0.030 . 1 . . . . 81 LEU H . 11096 1 866 . 1 1 81 81 LEU HA H 1 4.395 0.030 . 1 . . . . 81 LEU HA . 11096 1 867 . 1 1 81 81 LEU HB2 H 1 1.161 0.030 . 2 . . . . 81 LEU HB2 . 11096 1 868 . 1 1 81 81 LEU HB3 H 1 0.903 0.030 . 2 . . . . 81 LEU HB3 . 11096 1 869 . 1 1 81 81 LEU HD11 H 1 0.055 0.030 . 1 . . . . 81 LEU HD1 . 11096 1 870 . 1 1 81 81 LEU HD12 H 1 0.055 0.030 . 1 . . . . 81 LEU HD1 . 11096 1 871 . 1 1 81 81 LEU HD13 H 1 0.055 0.030 . 1 . . . . 81 LEU HD1 . 11096 1 872 . 1 1 81 81 LEU HD21 H 1 0.050 0.030 . 1 . . . . 81 LEU HD2 . 11096 1 873 . 1 1 81 81 LEU HD22 H 1 0.050 0.030 . 1 . . . . 81 LEU HD2 . 11096 1 874 . 1 1 81 81 LEU HD23 H 1 0.050 0.030 . 1 . . . . 81 LEU HD2 . 11096 1 875 . 1 1 81 81 LEU HG H 1 1.137 0.030 . 1 . . . . 81 LEU HG . 11096 1 876 . 1 1 81 81 LEU C C 13 175.963 0.300 . 1 . . . . 81 LEU C . 11096 1 877 . 1 1 81 81 LEU CA C 13 53.278 0.300 . 1 . . . . 81 LEU CA . 11096 1 878 . 1 1 81 81 LEU CB C 13 41.413 0.300 . 1 . . . . 81 LEU CB . 11096 1 879 . 1 1 81 81 LEU CD1 C 13 26.043 0.300 . 2 . . . . 81 LEU CD1 . 11096 1 880 . 1 1 81 81 LEU CD2 C 13 20.357 0.300 . 2 . . . . 81 LEU CD2 . 11096 1 881 . 1 1 81 81 LEU CG C 13 25.922 0.300 . 1 . . . . 81 LEU CG . 11096 1 882 . 1 1 81 81 LEU N N 15 117.124 0.300 . 1 . . . . 81 LEU N . 11096 1 883 . 1 1 82 82 LYS H H 1 8.409 0.030 . 1 . . . . 82 LYS H . 11096 1 884 . 1 1 82 82 LYS HA H 1 4.699 0.030 . 1 . . . . 82 LYS HA . 11096 1 885 . 1 1 82 82 LYS HB2 H 1 1.770 0.030 . 2 . . . . 82 LYS HB2 . 11096 1 886 . 1 1 82 82 LYS HB3 H 1 1.698 0.030 . 2 . . . . 82 LYS HB3 . 11096 1 887 . 1 1 82 82 LYS HD2 H 1 1.525 0.030 . 2 . . . . 82 LYS HD2 . 11096 1 888 . 1 1 82 82 LYS HD3 H 1 1.595 0.030 . 2 . . . . 82 LYS HD3 . 11096 1 889 . 1 1 82 82 LYS HE2 H 1 2.984 0.030 . 1 . . . . 82 LYS HE2 . 11096 1 890 . 1 1 82 82 LYS HE3 H 1 2.984 0.030 . 1 . . . . 82 LYS HE3 . 11096 1 891 . 1 1 82 82 LYS HG2 H 1 1.567 0.030 . 2 . . . . 82 LYS HG2 . 11096 1 892 . 1 1 82 82 LYS HG3 H 1 1.476 0.030 . 2 . . . . 82 LYS HG3 . 11096 1 893 . 1 1 82 82 LYS C C 13 174.166 0.300 . 1 . . . . 82 LYS C . 11096 1 894 . 1 1 82 82 LYS CA C 13 53.190 0.300 . 1 . . . . 82 LYS CA . 11096 1 895 . 1 1 82 82 LYS CB C 13 33.852 0.300 . 1 . . . . 82 LYS CB . 11096 1 896 . 1 1 82 82 LYS CD C 13 29.187 0.300 . 1 . . . . 82 LYS CD . 11096 1 897 . 1 1 82 82 LYS CE C 13 42.316 0.300 . 1 . . . . 82 LYS CE . 11096 1 898 . 1 1 82 82 LYS CG C 13 24.399 0.300 . 1 . . . . 82 LYS CG . 11096 1 899 . 1 1 82 82 LYS N N 15 121.558 0.300 . 1 . . . . 82 LYS N . 11096 1 900 . 1 1 83 83 PRO HA H 1 4.986 0.030 . 1 . . . . 83 PRO HA . 11096 1 901 . 1 1 83 83 PRO HB2 H 1 2.447 0.030 . 2 . . . . 83 PRO HB2 . 11096 1 902 . 1 1 83 83 PRO HB3 H 1 1.901 0.030 . 2 . . . . 83 PRO HB3 . 11096 1 903 . 1 1 83 83 PRO HD2 H 1 3.572 0.030 . 2 . . . . 83 PRO HD2 . 11096 1 904 . 1 1 83 83 PRO HD3 H 1 3.902 0.030 . 2 . . . . 83 PRO HD3 . 11096 1 905 . 1 1 83 83 PRO HG2 H 1 1.693 0.030 . 2 . . . . 83 PRO HG2 . 11096 1 906 . 1 1 83 83 PRO HG3 H 1 1.972 0.030 . 2 . . . . 83 PRO HG3 . 11096 1 907 . 1 1 83 83 PRO C C 13 176.208 0.300 . 1 . . . . 83 PRO C . 11096 1 908 . 1 1 83 83 PRO CA C 13 63.008 0.300 . 1 . . . . 83 PRO CA . 11096 1 909 . 1 1 83 83 PRO CB C 13 33.296 0.300 . 1 . . . . 83 PRO CB . 11096 1 910 . 1 1 83 83 PRO CD C 13 51.277 0.300 . 1 . . . . 83 PRO CD . 11096 1 911 . 1 1 83 83 PRO CG C 13 27.392 0.300 . 1 . . . . 83 PRO CG . 11096 1 912 . 1 1 84 84 GLU H H 1 6.926 0.030 . 1 . . . . 84 GLU H . 11096 1 913 . 1 1 84 84 GLU HA H 1 3.630 0.030 . 1 . . . . 84 GLU HA . 11096 1 914 . 1 1 84 84 GLU HB2 H 1 2.156 0.030 . 2 . . . . 84 GLU HB2 . 11096 1 915 . 1 1 84 84 GLU HB3 H 1 1.758 0.030 . 2 . . . . 84 GLU HB3 . 11096 1 916 . 1 1 84 84 GLU HG2 H 1 2.085 0.030 . 2 . . . . 84 GLU HG2 . 11096 1 917 . 1 1 84 84 GLU HG3 H 1 2.033 0.030 . 2 . . . . 84 GLU HG3 . 11096 1 918 . 1 1 84 84 GLU C C 13 174.086 0.300 . 1 . . . . 84 GLU C . 11096 1 919 . 1 1 84 84 GLU CA C 13 56.397 0.300 . 1 . . . . 84 GLU CA . 11096 1 920 . 1 1 84 84 GLU CB C 13 29.399 0.300 . 1 . . . . 84 GLU CB . 11096 1 921 . 1 1 84 84 GLU CG C 13 38.295 0.300 . 1 . . . . 84 GLU CG . 11096 1 922 . 1 1 84 84 GLU N N 15 120.497 0.300 . 1 . . . . 84 GLU N . 11096 1 923 . 1 1 85 85 ALA H H 1 8.182 0.030 . 1 . . . . 85 ALA H . 11096 1 924 . 1 1 85 85 ALA HA H 1 4.614 0.030 . 1 . . . . 85 ALA HA . 11096 1 925 . 1 1 85 85 ALA HB1 H 1 1.127 0.030 . 1 . . . . 85 ALA HB . 11096 1 926 . 1 1 85 85 ALA HB2 H 1 1.127 0.030 . 1 . . . . 85 ALA HB . 11096 1 927 . 1 1 85 85 ALA HB3 H 1 1.127 0.030 . 1 . . . . 85 ALA HB . 11096 1 928 . 1 1 85 85 ALA C C 13 174.766 0.300 . 1 . . . . 85 ALA C . 11096 1 929 . 1 1 85 85 ALA CA C 13 50.529 0.300 . 1 . . . . 85 ALA CA . 11096 1 930 . 1 1 85 85 ALA CB C 13 22.487 0.300 . 1 . . . . 85 ALA CB . 11096 1 931 . 1 1 85 85 ALA N N 15 122.402 0.300 . 1 . . . . 85 ALA N . 11096 1 932 . 1 1 86 86 MET H H 1 8.163 0.030 . 1 . . . . 86 MET H . 11096 1 933 . 1 1 86 86 MET HA H 1 4.912 0.030 . 1 . . . . 86 MET HA . 11096 1 934 . 1 1 86 86 MET HB2 H 1 1.893 0.030 . 1 . . . . 86 MET HB2 . 11096 1 935 . 1 1 86 86 MET HB3 H 1 1.893 0.030 . 1 . . . . 86 MET HB3 . 11096 1 936 . 1 1 86 86 MET HE1 H 1 1.990 0.030 . 1 . . . . 86 MET HE . 11096 1 937 . 1 1 86 86 MET HE2 H 1 1.990 0.030 . 1 . . . . 86 MET HE . 11096 1 938 . 1 1 86 86 MET HE3 H 1 1.990 0.030 . 1 . . . . 86 MET HE . 11096 1 939 . 1 1 86 86 MET HG2 H 1 2.516 0.030 . 2 . . . . 86 MET HG2 . 11096 1 940 . 1 1 86 86 MET HG3 H 1 2.122 0.030 . 2 . . . . 86 MET HG3 . 11096 1 941 . 1 1 86 86 MET C C 13 175.005 0.300 . 1 . . . . 86 MET C . 11096 1 942 . 1 1 86 86 MET CA C 13 54.257 0.300 . 1 . . . . 86 MET CA . 11096 1 943 . 1 1 86 86 MET CB C 13 32.331 0.300 . 1 . . . . 86 MET CB . 11096 1 944 . 1 1 86 86 MET CE C 13 16.692 0.300 . 1 . . . . 86 MET CE . 11096 1 945 . 1 1 86 86 MET CG C 13 31.757 0.300 . 1 . . . . 86 MET CG . 11096 1 946 . 1 1 86 86 MET N N 15 118.966 0.300 . 1 . . . . 86 MET N . 11096 1 947 . 1 1 87 87 TYR H H 1 9.033 0.030 . 1 . . . . 87 TYR H . 11096 1 948 . 1 1 87 87 TYR HA H 1 5.086 0.030 . 1 . . . . 87 TYR HA . 11096 1 949 . 1 1 87 87 TYR HB2 H 1 2.936 0.030 . 2 . . . . 87 TYR HB2 . 11096 1 950 . 1 1 87 87 TYR HB3 H 1 2.170 0.030 . 2 . . . . 87 TYR HB3 . 11096 1 951 . 1 1 87 87 TYR HE1 H 1 7.001 0.030 . 1 . . . . 87 TYR HE1 . 11096 1 952 . 1 1 87 87 TYR HE2 H 1 7.001 0.030 . 1 . . . . 87 TYR HE2 . 11096 1 953 . 1 1 87 87 TYR C C 13 174.837 0.300 . 1 . . . . 87 TYR C . 11096 1 954 . 1 1 87 87 TYR CA C 13 57.562 0.300 . 1 . . . . 87 TYR CA . 11096 1 955 . 1 1 87 87 TYR CB C 13 44.126 0.300 . 1 . . . . 87 TYR CB . 11096 1 956 . 1 1 87 87 TYR CE1 C 13 118.759 0.300 . 1 . . . . 87 TYR CE1 . 11096 1 957 . 1 1 87 87 TYR CE2 C 13 118.759 0.300 . 1 . . . . 87 TYR CE2 . 11096 1 958 . 1 1 87 87 TYR N N 15 128.457 0.300 . 1 . . . . 87 TYR N . 11096 1 959 . 1 1 88 88 THR H H 1 8.752 0.030 . 1 . . . . 88 THR H . 11096 1 960 . 1 1 88 88 THR HA H 1 5.342 0.030 . 1 . . . . 88 THR HA . 11096 1 961 . 1 1 88 88 THR HB H 1 3.820 0.030 . 1 . . . . 88 THR HB . 11096 1 962 . 1 1 88 88 THR HG21 H 1 1.097 0.030 . 1 . . . . 88 THR HG2 . 11096 1 963 . 1 1 88 88 THR HG22 H 1 1.097 0.030 . 1 . . . . 88 THR HG2 . 11096 1 964 . 1 1 88 88 THR HG23 H 1 1.097 0.030 . 1 . . . . 88 THR HG2 . 11096 1 965 . 1 1 88 88 THR C C 13 174.132 0.300 . 1 . . . . 88 THR C . 11096 1 966 . 1 1 88 88 THR CA C 13 60.973 0.300 . 1 . . . . 88 THR CA . 11096 1 967 . 1 1 88 88 THR CB C 13 70.425 0.300 . 1 . . . . 88 THR CB . 11096 1 968 . 1 1 88 88 THR CG2 C 13 21.921 0.300 . 1 . . . . 88 THR CG2 . 11096 1 969 . 1 1 88 88 THR N N 15 114.590 0.300 . 1 . . . . 88 THR N . 11096 1 970 . 1 1 89 89 PHE H H 1 9.159 0.030 . 1 . . . . 89 PHE H . 11096 1 971 . 1 1 89 89 PHE HA H 1 5.683 0.030 . 1 . . . . 89 PHE HA . 11096 1 972 . 1 1 89 89 PHE HB2 H 1 2.709 0.030 . 1 . . . . 89 PHE HB2 . 11096 1 973 . 1 1 89 89 PHE HB3 H 1 2.709 0.030 . 1 . . . . 89 PHE HB3 . 11096 1 974 . 1 1 89 89 PHE HD1 H 1 7.014 0.030 . 1 . . . . 89 PHE HD1 . 11096 1 975 . 1 1 89 89 PHE HD2 H 1 7.014 0.030 . 1 . . . . 89 PHE HD2 . 11096 1 976 . 1 1 89 89 PHE HE1 H 1 6.885 0.030 . 1 . . . . 89 PHE HE1 . 11096 1 977 . 1 1 89 89 PHE HE2 H 1 6.885 0.030 . 1 . . . . 89 PHE HE2 . 11096 1 978 . 1 1 89 89 PHE HZ H 1 6.528 0.030 . 1 . . . . 89 PHE HZ . 11096 1 979 . 1 1 89 89 PHE C C 13 175.387 0.300 . 1 . . . . 89 PHE C . 11096 1 980 . 1 1 89 89 PHE CA C 13 56.759 0.300 . 1 . . . . 89 PHE CA . 11096 1 981 . 1 1 89 89 PHE CB C 13 43.969 0.300 . 1 . . . . 89 PHE CB . 11096 1 982 . 1 1 89 89 PHE CD1 C 13 132.362 0.300 . 1 . . . . 89 PHE CD1 . 11096 1 983 . 1 1 89 89 PHE CD2 C 13 132.362 0.300 . 1 . . . . 89 PHE CD2 . 11096 1 984 . 1 1 89 89 PHE CE1 C 13 130.686 0.300 . 1 . . . . 89 PHE CE1 . 11096 1 985 . 1 1 89 89 PHE CE2 C 13 130.686 0.300 . 1 . . . . 89 PHE CE2 . 11096 1 986 . 1 1 89 89 PHE CZ C 13 128.356 0.300 . 1 . . . . 89 PHE CZ . 11096 1 987 . 1 1 89 89 PHE N N 15 121.258 0.300 . 1 . . . . 89 PHE N . 11096 1 988 . 1 1 90 90 ARG H H 1 9.226 0.030 . 1 . . . . 90 ARG H . 11096 1 989 . 1 1 90 90 ARG HA H 1 4.571 0.030 . 1 . . . . 90 ARG HA . 11096 1 990 . 1 1 90 90 ARG HB2 H 1 1.807 0.030 . 2 . . . . 90 ARG HB2 . 11096 1 991 . 1 1 90 90 ARG HG2 H 1 1.622 0.030 . 2 . . . . 90 ARG HG2 . 11096 1 992 . 1 1 90 90 ARG HG3 H 1 1.467 0.030 . 2 . . . . 90 ARG HG3 . 11096 1 993 . 1 1 90 90 ARG C C 13 172.577 0.300 . 1 . . . . 90 ARG C . 11096 1 994 . 1 1 90 90 ARG CA C 13 55.077 0.300 . 1 . . . . 90 ARG CA . 11096 1 995 . 1 1 90 90 ARG CB C 13 32.545 0.300 . 1 . . . . 90 ARG CB . 11096 1 996 . 1 1 90 90 ARG CD C 13 42.907 0.300 . 1 . . . . 90 ARG CD . 11096 1 997 . 1 1 90 90 ARG CG C 13 27.489 0.300 . 1 . . . . 90 ARG CG . 11096 1 998 . 1 1 90 90 ARG N N 15 119.179 0.300 . 1 . . . . 90 ARG N . 11096 1 999 . 1 1 91 91 VAL H H 1 8.676 0.030 . 1 . . . . 91 VAL H . 11096 1 1000 . 1 1 91 91 VAL HA H 1 5.146 0.030 . 1 . . . . 91 VAL HA . 11096 1 1001 . 1 1 91 91 VAL HB H 1 1.172 0.030 . 1 . . . . 91 VAL HB . 11096 1 1002 . 1 1 91 91 VAL HG11 H 1 -0.308 0.030 . 1 . . . . 91 VAL HG1 . 11096 1 1003 . 1 1 91 91 VAL HG12 H 1 -0.308 0.030 . 1 . . . . 91 VAL HG1 . 11096 1 1004 . 1 1 91 91 VAL HG13 H 1 -0.308 0.030 . 1 . . . . 91 VAL HG1 . 11096 1 1005 . 1 1 91 91 VAL HG21 H 1 0.384 0.030 . 1 . . . . 91 VAL HG2 . 11096 1 1006 . 1 1 91 91 VAL HG22 H 1 0.384 0.030 . 1 . . . . 91 VAL HG2 . 11096 1 1007 . 1 1 91 91 VAL HG23 H 1 0.384 0.030 . 1 . . . . 91 VAL HG2 . 11096 1 1008 . 1 1 91 91 VAL C C 13 174.197 0.300 . 1 . . . . 91 VAL C . 11096 1 1009 . 1 1 91 91 VAL CA C 13 60.942 0.300 . 1 . . . . 91 VAL CA . 11096 1 1010 . 1 1 91 91 VAL CB C 13 34.569 0.300 . 1 . . . . 91 VAL CB . 11096 1 1011 . 1 1 91 91 VAL CG1 C 13 20.221 0.300 . 2 . . . . 91 VAL CG1 . 11096 1 1012 . 1 1 91 91 VAL CG2 C 13 21.922 0.300 . 2 . . . . 91 VAL CG2 . 11096 1 1013 . 1 1 91 91 VAL N N 15 120.871 0.300 . 1 . . . . 91 VAL N . 11096 1 1014 . 1 1 92 92 VAL H H 1 8.943 0.030 . 1 . . . . 92 VAL H . 11096 1 1015 . 1 1 92 92 VAL HA H 1 4.230 0.030 . 1 . . . . 92 VAL HA . 11096 1 1016 . 1 1 92 92 VAL HB H 1 1.951 0.030 . 1 . . . . 92 VAL HB . 11096 1 1017 . 1 1 92 92 VAL HG11 H 1 0.778 0.030 . 1 . . . . 92 VAL HG1 . 11096 1 1018 . 1 1 92 92 VAL HG12 H 1 0.778 0.030 . 1 . . . . 92 VAL HG1 . 11096 1 1019 . 1 1 92 92 VAL HG13 H 1 0.778 0.030 . 1 . . . . 92 VAL HG1 . 11096 1 1020 . 1 1 92 92 VAL HG21 H 1 0.969 0.030 . 1 . . . . 92 VAL HG2 . 11096 1 1021 . 1 1 92 92 VAL HG22 H 1 0.969 0.030 . 1 . . . . 92 VAL HG2 . 11096 1 1022 . 1 1 92 92 VAL HG23 H 1 0.969 0.030 . 1 . . . . 92 VAL HG2 . 11096 1 1023 . 1 1 92 92 VAL C C 13 174.067 0.300 . 1 . . . . 92 VAL C . 11096 1 1024 . 1 1 92 92 VAL CA C 13 61.285 0.300 . 1 . . . . 92 VAL CA . 11096 1 1025 . 1 1 92 92 VAL CB C 13 37.084 0.300 . 1 . . . . 92 VAL CB . 11096 1 1026 . 1 1 92 92 VAL CG1 C 13 21.820 0.300 . 2 . . . . 92 VAL CG1 . 11096 1 1027 . 1 1 92 92 VAL CG2 C 13 22.078 0.300 . 2 . . . . 92 VAL CG2 . 11096 1 1028 . 1 1 92 92 VAL N N 15 125.711 0.300 . 1 . . . . 92 VAL N . 11096 1 1029 . 1 1 93 93 ALA H H 1 9.214 0.030 . 1 . . . . 93 ALA H . 11096 1 1030 . 1 1 93 93 ALA HA H 1 4.756 0.030 . 1 . . . . 93 ALA HA . 11096 1 1031 . 1 1 93 93 ALA HB1 H 1 1.239 0.030 . 1 . . . . 93 ALA HB . 11096 1 1032 . 1 1 93 93 ALA HB2 H 1 1.239 0.030 . 1 . . . . 93 ALA HB . 11096 1 1033 . 1 1 93 93 ALA HB3 H 1 1.239 0.030 . 1 . . . . 93 ALA HB . 11096 1 1034 . 1 1 93 93 ALA C C 13 174.848 0.300 . 1 . . . . 93 ALA C . 11096 1 1035 . 1 1 93 93 ALA CA C 13 50.400 0.300 . 1 . . . . 93 ALA CA . 11096 1 1036 . 1 1 93 93 ALA CB C 13 22.502 0.300 . 1 . . . . 93 ALA CB . 11096 1 1037 . 1 1 93 93 ALA N N 15 127.695 0.300 . 1 . . . . 93 ALA N . 11096 1 1038 . 1 1 94 94 TYR H H 1 8.024 0.030 . 1 . . . . 94 TYR H . 11096 1 1039 . 1 1 94 94 TYR HA H 1 5.066 0.030 . 1 . . . . 94 TYR HA . 11096 1 1040 . 1 1 94 94 TYR HB2 H 1 2.736 0.030 . 2 . . . . 94 TYR HB2 . 11096 1 1041 . 1 1 94 94 TYR HB3 H 1 2.653 0.030 . 2 . . . . 94 TYR HB3 . 11096 1 1042 . 1 1 94 94 TYR HD1 H 1 6.899 0.030 . 1 . . . . 94 TYR HD1 . 11096 1 1043 . 1 1 94 94 TYR HD2 H 1 6.899 0.030 . 1 . . . . 94 TYR HD2 . 11096 1 1044 . 1 1 94 94 TYR HE1 H 1 6.774 0.030 . 1 . . . . 94 TYR HE1 . 11096 1 1045 . 1 1 94 94 TYR HE2 H 1 6.774 0.030 . 1 . . . . 94 TYR HE2 . 11096 1 1046 . 1 1 94 94 TYR C C 13 177.534 0.300 . 1 . . . . 94 TYR C . 11096 1 1047 . 1 1 94 94 TYR CA C 13 56.508 0.300 . 1 . . . . 94 TYR CA . 11096 1 1048 . 1 1 94 94 TYR CB C 13 40.258 0.300 . 1 . . . . 94 TYR CB . 11096 1 1049 . 1 1 94 94 TYR CD1 C 13 132.634 0.300 . 1 . . . . 94 TYR CD1 . 11096 1 1050 . 1 1 94 94 TYR CD2 C 13 132.634 0.300 . 1 . . . . 94 TYR CD2 . 11096 1 1051 . 1 1 94 94 TYR CE1 C 13 118.517 0.300 . 1 . . . . 94 TYR CE1 . 11096 1 1052 . 1 1 94 94 TYR CE2 C 13 118.517 0.300 . 1 . . . . 94 TYR CE2 . 11096 1 1053 . 1 1 94 94 TYR N N 15 117.543 0.300 . 1 . . . . 94 TYR N . 11096 1 1054 . 1 1 95 95 ASN H H 1 8.092 0.030 . 1 . . . . 95 ASN H . 11096 1 1055 . 1 1 95 95 ASN HA H 1 5.307 0.030 . 1 . . . . 95 ASN HA . 11096 1 1056 . 1 1 95 95 ASN HB2 H 1 3.381 0.030 . 2 . . . . 95 ASN HB2 . 11096 1 1057 . 1 1 95 95 ASN HB3 H 1 2.618 0.030 . 2 . . . . 95 ASN HB3 . 11096 1 1058 . 1 1 95 95 ASN HD21 H 1 7.589 0.030 . 2 . . . . 95 ASN HD21 . 11096 1 1059 . 1 1 95 95 ASN HD22 H 1 7.979 0.030 . 2 . . . . 95 ASN HD22 . 11096 1 1060 . 1 1 95 95 ASN C C 13 175.751 0.300 . 1 . . . . 95 ASN C . 11096 1 1061 . 1 1 95 95 ASN CA C 13 51.176 0.300 . 1 . . . . 95 ASN CA . 11096 1 1062 . 1 1 95 95 ASN CB C 13 38.872 0.300 . 1 . . . . 95 ASN CB . 11096 1 1063 . 1 1 95 95 ASN N N 15 121.908 0.300 . 1 . . . . 95 ASN N . 11096 1 1064 . 1 1 95 95 ASN ND2 N 15 110.612 0.300 . 1 . . . . 95 ASN ND2 . 11096 1 1065 . 1 1 96 96 GLU H H 1 10.387 0.030 . 1 . . . . 96 GLU H . 11096 1 1066 . 1 1 96 96 GLU HA H 1 3.809 0.030 . 1 . . . . 96 GLU HA . 11096 1 1067 . 1 1 96 96 GLU HB2 H 1 1.334 0.030 . 2 . . . . 96 GLU HB2 . 11096 1 1068 . 1 1 96 96 GLU HB3 H 1 1.488 0.030 . 2 . . . . 96 GLU HB3 . 11096 1 1069 . 1 1 96 96 GLU HG2 H 1 1.515 0.030 . 2 . . . . 96 GLU HG2 . 11096 1 1070 . 1 1 96 96 GLU HG3 H 1 1.680 0.030 . 2 . . . . 96 GLU HG3 . 11096 1 1071 . 1 1 96 96 GLU C C 13 176.796 0.300 . 1 . . . . 96 GLU C . 11096 1 1072 . 1 1 96 96 GLU CA C 13 59.472 0.300 . 1 . . . . 96 GLU CA . 11096 1 1073 . 1 1 96 96 GLU CB C 13 27.959 0.300 . 1 . . . . 96 GLU CB . 11096 1 1074 . 1 1 96 96 GLU CG C 13 35.580 0.300 . 1 . . . . 96 GLU CG . 11096 1 1075 . 1 1 96 96 GLU N N 15 118.335 0.300 . 1 . . . . 96 GLU N . 11096 1 1076 . 1 1 97 97 TRP H H 1 8.100 0.030 . 1 . . . . 97 TRP H . 11096 1 1077 . 1 1 97 97 TRP HA H 1 4.667 0.030 . 1 . . . . 97 TRP HA . 11096 1 1078 . 1 1 97 97 TRP HB2 H 1 3.247 0.030 . 1 . . . . 97 TRP HB2 . 11096 1 1079 . 1 1 97 97 TRP HB3 H 1 3.247 0.030 . 1 . . . . 97 TRP HB3 . 11096 1 1080 . 1 1 97 97 TRP HD1 H 1 7.283 0.030 . 1 . . . . 97 TRP HD1 . 11096 1 1081 . 1 1 97 97 TRP HE1 H 1 10.064 0.030 . 1 . . . . 97 TRP HE1 . 11096 1 1082 . 1 1 97 97 TRP HE3 H 1 7.666 0.030 . 1 . . . . 97 TRP HE3 . 11096 1 1083 . 1 1 97 97 TRP HH2 H 1 7.154 0.030 . 1 . . . . 97 TRP HH2 . 11096 1 1084 . 1 1 97 97 TRP HZ2 H 1 7.437 0.030 . 1 . . . . 97 TRP HZ2 . 11096 1 1085 . 1 1 97 97 TRP HZ3 H 1 7.091 0.030 . 1 . . . . 97 TRP HZ3 . 11096 1 1086 . 1 1 97 97 TRP C C 13 176.412 0.300 . 1 . . . . 97 TRP C . 11096 1 1087 . 1 1 97 97 TRP CA C 13 57.383 0.300 . 1 . . . . 97 TRP CA . 11096 1 1088 . 1 1 97 97 TRP CB C 13 30.235 0.300 . 1 . . . . 97 TRP CB . 11096 1 1089 . 1 1 97 97 TRP CD1 C 13 128.084 0.300 . 1 . . . . 97 TRP CD1 . 11096 1 1090 . 1 1 97 97 TRP CE3 C 13 120.772 0.300 . 1 . . . . 97 TRP CE3 . 11096 1 1091 . 1 1 97 97 TRP CH2 C 13 124.277 0.300 . 1 . . . . 97 TRP CH2 . 11096 1 1092 . 1 1 97 97 TRP CZ2 C 13 114.643 0.300 . 1 . . . . 97 TRP CZ2 . 11096 1 1093 . 1 1 97 97 TRP CZ3 C 13 121.784 0.300 . 1 . . . . 97 TRP CZ3 . 11096 1 1094 . 1 1 97 97 TRP N N 15 119.124 0.300 . 1 . . . . 97 TRP N . 11096 1 1095 . 1 1 97 97 TRP NE1 N 15 128.977 0.300 . 1 . . . . 97 TRP NE1 . 11096 1 1096 . 1 1 98 98 GLY H H 1 7.756 0.030 . 1 . . . . 98 GLY H . 11096 1 1097 . 1 1 98 98 GLY HA2 H 1 3.898 0.030 . 2 . . . . 98 GLY HA2 . 11096 1 1098 . 1 1 98 98 GLY HA3 H 1 4.569 0.030 . 2 . . . . 98 GLY HA3 . 11096 1 1099 . 1 1 98 98 GLY C C 13 169.173 0.300 . 1 . . . . 98 GLY C . 11096 1 1100 . 1 1 98 98 GLY CA C 13 45.100 0.300 . 1 . . . . 98 GLY CA . 11096 1 1101 . 1 1 98 98 GLY N N 15 108.174 0.300 . 1 . . . . 98 GLY N . 11096 1 1102 . 1 1 99 99 PRO HA H 1 4.273 0.030 . 1 . . . . 99 PRO HA . 11096 1 1103 . 1 1 99 99 PRO HB2 H 1 1.536 0.030 . 2 . . . . 99 PRO HB2 . 11096 1 1104 . 1 1 99 99 PRO HB3 H 1 1.057 0.030 . 2 . . . . 99 PRO HB3 . 11096 1 1105 . 1 1 99 99 PRO HD2 H 1 3.499 0.030 . 2 . . . . 99 PRO HD2 . 11096 1 1106 . 1 1 99 99 PRO HD3 H 1 3.698 0.030 . 2 . . . . 99 PRO HD3 . 11096 1 1107 . 1 1 99 99 PRO HG2 H 1 1.919 0.030 . 2 . . . . 99 PRO HG2 . 11096 1 1108 . 1 1 99 99 PRO HG3 H 1 2.063 0.030 . 2 . . . . 99 PRO HG3 . 11096 1 1109 . 1 1 99 99 PRO C C 13 177.944 0.300 . 1 . . . . 99 PRO C . 11096 1 1110 . 1 1 99 99 PRO CA C 13 61.149 0.300 . 1 . . . . 99 PRO CA . 11096 1 1111 . 1 1 99 99 PRO CB C 13 31.763 0.300 . 1 . . . . 99 PRO CB . 11096 1 1112 . 1 1 99 99 PRO CD C 13 49.512 0.300 . 1 . . . . 99 PRO CD . 11096 1 1113 . 1 1 99 99 PRO CG C 13 25.873 0.300 . 1 . . . . 99 PRO CG . 11096 1 1114 . 1 1 100 100 GLY H H 1 8.217 0.030 . 1 . . . . 100 GLY H . 11096 1 1115 . 1 1 100 100 GLY HA2 H 1 4.296 0.030 . 2 . . . . 100 GLY HA2 . 11096 1 1116 . 1 1 100 100 GLY HA3 H 1 3.990 0.030 . 2 . . . . 100 GLY HA3 . 11096 1 1117 . 1 1 100 100 GLY C C 13 173.177 0.300 . 1 . . . . 100 GLY C . 11096 1 1118 . 1 1 100 100 GLY CA C 13 43.744 0.300 . 1 . . . . 100 GLY CA . 11096 1 1119 . 1 1 100 100 GLY N N 15 107.531 0.300 . 1 . . . . 100 GLY N . 11096 1 1120 . 1 1 101 101 GLU H H 1 7.111 0.030 . 1 . . . . 101 GLU H . 11096 1 1121 . 1 1 101 101 GLU HA H 1 3.982 0.030 . 1 . . . . 101 GLU HA . 11096 1 1122 . 1 1 101 101 GLU HB2 H 1 1.865 0.030 . 2 . . . . 101 GLU HB2 . 11096 1 1123 . 1 1 101 101 GLU HB3 H 1 1.764 0.030 . 2 . . . . 101 GLU HB3 . 11096 1 1124 . 1 1 101 101 GLU HG2 H 1 2.368 0.030 . 1 . . . . 101 GLU HG2 . 11096 1 1125 . 1 1 101 101 GLU HG3 H 1 2.368 0.030 . 1 . . . . 101 GLU HG3 . 11096 1 1126 . 1 1 101 101 GLU C C 13 177.039 0.300 . 1 . . . . 101 GLU C . 11096 1 1127 . 1 1 101 101 GLU CA C 13 55.931 0.300 . 1 . . . . 101 GLU CA . 11096 1 1128 . 1 1 101 101 GLU CB C 13 31.407 0.300 . 1 . . . . 101 GLU CB . 11096 1 1129 . 1 1 101 101 GLU CG C 13 36.166 0.300 . 1 . . . . 101 GLU CG . 11096 1 1130 . 1 1 101 101 GLU N N 15 118.111 0.300 . 1 . . . . 101 GLU N . 11096 1 1131 . 1 1 102 102 SER H H 1 8.656 0.030 . 1 . . . . 102 SER H . 11096 1 1132 . 1 1 102 102 SER HA H 1 4.656 0.030 . 1 . . . . 102 SER HA . 11096 1 1133 . 1 1 102 102 SER HB2 H 1 3.684 0.030 . 2 . . . . 102 SER HB2 . 11096 1 1134 . 1 1 102 102 SER HB3 H 1 3.502 0.030 . 2 . . . . 102 SER HB3 . 11096 1 1135 . 1 1 102 102 SER C C 13 176.514 0.300 . 1 . . . . 102 SER C . 11096 1 1136 . 1 1 102 102 SER CA C 13 57.883 0.300 . 1 . . . . 102 SER CA . 11096 1 1137 . 1 1 102 102 SER CB C 13 63.689 0.300 . 1 . . . . 102 SER CB . 11096 1 1138 . 1 1 102 102 SER N N 15 116.267 0.300 . 1 . . . . 102 SER N . 11096 1 1139 . 1 1 103 103 SER H H 1 9.099 0.030 . 1 . . . . 103 SER H . 11096 1 1140 . 1 1 103 103 SER HA H 1 4.383 0.030 . 1 . . . . 103 SER HA . 11096 1 1141 . 1 1 103 103 SER HB2 H 1 3.857 0.030 . 2 . . . . 103 SER HB2 . 11096 1 1142 . 1 1 103 103 SER HB3 H 1 4.278 0.030 . 2 . . . . 103 SER HB3 . 11096 1 1143 . 1 1 103 103 SER C C 13 174.885 0.300 . 1 . . . . 103 SER C . 11096 1 1144 . 1 1 103 103 SER CA C 13 59.621 0.300 . 1 . . . . 103 SER CA . 11096 1 1145 . 1 1 103 103 SER CB C 13 64.177 0.300 . 1 . . . . 103 SER CB . 11096 1 1146 . 1 1 103 103 SER N N 15 120.625 0.300 . 1 . . . . 103 SER N . 11096 1 1147 . 1 1 104 104 GLN H H 1 8.842 0.030 . 1 . . . . 104 GLN H . 11096 1 1148 . 1 1 104 104 GLN HA H 1 4.517 0.030 . 1 . . . . 104 GLN HA . 11096 1 1149 . 1 1 104 104 GLN HB2 H 1 2.158 0.030 . 2 . . . . 104 GLN HB2 . 11096 1 1150 . 1 1 104 104 GLN HB3 H 1 2.051 0.030 . 2 . . . . 104 GLN HB3 . 11096 1 1151 . 1 1 104 104 GLN HE21 H 1 7.750 0.030 . 2 . . . . 104 GLN HE21 . 11096 1 1152 . 1 1 104 104 GLN HE22 H 1 6.956 0.030 . 2 . . . . 104 GLN HE22 . 11096 1 1153 . 1 1 104 104 GLN HG2 H 1 2.516 0.030 . 1 . . . . 104 GLN HG2 . 11096 1 1154 . 1 1 104 104 GLN HG3 H 1 2.516 0.030 . 1 . . . . 104 GLN HG3 . 11096 1 1155 . 1 1 104 104 GLN C C 13 175.069 0.300 . 1 . . . . 104 GLN C . 11096 1 1156 . 1 1 104 104 GLN CA C 13 54.483 0.300 . 1 . . . . 104 GLN CA . 11096 1 1157 . 1 1 104 104 GLN CB C 13 27.867 0.300 . 1 . . . . 104 GLN CB . 11096 1 1158 . 1 1 104 104 GLN CG C 13 33.611 0.300 . 1 . . . . 104 GLN CG . 11096 1 1159 . 1 1 104 104 GLN N N 15 123.026 0.300 . 1 . . . . 104 GLN N . 11096 1 1160 . 1 1 104 104 GLN NE2 N 15 113.546 0.300 . 1 . . . . 104 GLN NE2 . 11096 1 1161 . 1 1 105 105 PRO HA H 1 4.798 0.030 . 1 . . . . 105 PRO HA . 11096 1 1162 . 1 1 105 105 PRO HB2 H 1 2.026 0.030 . 2 . . . . 105 PRO HB2 . 11096 1 1163 . 1 1 105 105 PRO HB3 H 1 1.749 0.030 . 2 . . . . 105 PRO HB3 . 11096 1 1164 . 1 1 105 105 PRO HD2 H 1 3.663 0.030 . 2 . . . . 105 PRO HD2 . 11096 1 1165 . 1 1 105 105 PRO HD3 H 1 3.920 0.030 . 2 . . . . 105 PRO HD3 . 11096 1 1166 . 1 1 105 105 PRO HG2 H 1 1.845 0.030 . 2 . . . . 105 PRO HG2 . 11096 1 1167 . 1 1 105 105 PRO HG3 H 1 2.094 0.030 . 2 . . . . 105 PRO HG3 . 11096 1 1168 . 1 1 105 105 PRO C C 13 176.855 0.300 . 1 . . . . 105 PRO C . 11096 1 1169 . 1 1 105 105 PRO CA C 13 62.772 0.300 . 1 . . . . 105 PRO CA . 11096 1 1170 . 1 1 105 105 PRO CB C 13 32.531 0.300 . 1 . . . . 105 PRO CB . 11096 1 1171 . 1 1 105 105 PRO CD C 13 50.747 0.300 . 1 . . . . 105 PRO CD . 11096 1 1172 . 1 1 105 105 PRO CG C 13 27.729 0.300 . 1 . . . . 105 PRO CG . 11096 1 1173 . 1 1 106 106 ILE H H 1 8.735 0.030 . 1 . . . . 106 ILE H . 11096 1 1174 . 1 1 106 106 ILE HA H 1 4.826 0.030 . 1 . . . . 106 ILE HA . 11096 1 1175 . 1 1 106 106 ILE HB H 1 1.911 0.030 . 1 . . . . 106 ILE HB . 11096 1 1176 . 1 1 106 106 ILE HD11 H 1 0.726 0.030 . 1 . . . . 106 ILE HD1 . 11096 1 1177 . 1 1 106 106 ILE HD12 H 1 0.726 0.030 . 1 . . . . 106 ILE HD1 . 11096 1 1178 . 1 1 106 106 ILE HD13 H 1 0.726 0.030 . 1 . . . . 106 ILE HD1 . 11096 1 1179 . 1 1 106 106 ILE HG12 H 1 1.600 0.030 . 2 . . . . 106 ILE HG12 . 11096 1 1180 . 1 1 106 106 ILE HG13 H 1 1.107 0.030 . 2 . . . . 106 ILE HG13 . 11096 1 1181 . 1 1 106 106 ILE HG21 H 1 1.019 0.030 . 1 . . . . 106 ILE HG2 . 11096 1 1182 . 1 1 106 106 ILE HG22 H 1 1.019 0.030 . 1 . . . . 106 ILE HG2 . 11096 1 1183 . 1 1 106 106 ILE HG23 H 1 1.019 0.030 . 1 . . . . 106 ILE HG2 . 11096 1 1184 . 1 1 106 106 ILE C C 13 174.258 0.300 . 1 . . . . 106 ILE C . 11096 1 1185 . 1 1 106 106 ILE CA C 13 59.277 0.300 . 1 . . . . 106 ILE CA . 11096 1 1186 . 1 1 106 106 ILE CB C 13 41.723 0.300 . 1 . . . . 106 ILE CB . 11096 1 1187 . 1 1 106 106 ILE CD1 C 13 14.421 0.300 . 1 . . . . 106 ILE CD1 . 11096 1 1188 . 1 1 106 106 ILE CG1 C 13 26.608 0.300 . 1 . . . . 106 ILE CG1 . 11096 1 1189 . 1 1 106 106 ILE CG2 C 13 17.901 0.300 . 1 . . . . 106 ILE CG2 . 11096 1 1190 . 1 1 106 106 ILE N N 15 117.149 0.300 . 1 . . . . 106 ILE N . 11096 1 1191 . 1 1 107 107 LYS H H 1 8.514 0.030 . 1 . . . . 107 LYS H . 11096 1 1192 . 1 1 107 107 LYS HA H 1 5.651 0.030 . 1 . . . . 107 LYS HA . 11096 1 1193 . 1 1 107 107 LYS HB2 H 1 1.977 0.030 . 2 . . . . 107 LYS HB2 . 11096 1 1194 . 1 1 107 107 LYS HB3 H 1 1.640 0.030 . 2 . . . . 107 LYS HB3 . 11096 1 1195 . 1 1 107 107 LYS HD2 H 1 1.582 0.030 . 1 . . . . 107 LYS HD2 . 11096 1 1196 . 1 1 107 107 LYS HD3 H 1 1.582 0.030 . 1 . . . . 107 LYS HD3 . 11096 1 1197 . 1 1 107 107 LYS HE2 H 1 2.852 0.030 . 1 . . . . 107 LYS HE2 . 11096 1 1198 . 1 1 107 107 LYS HE3 H 1 2.852 0.030 . 1 . . . . 107 LYS HE3 . 11096 1 1199 . 1 1 107 107 LYS HG2 H 1 1.410 0.030 . 1 . . . . 107 LYS HG2 . 11096 1 1200 . 1 1 107 107 LYS HG3 H 1 1.410 0.030 . 1 . . . . 107 LYS HG3 . 11096 1 1201 . 1 1 107 107 LYS C C 13 176.745 0.300 . 1 . . . . 107 LYS C . 11096 1 1202 . 1 1 107 107 LYS CA C 13 54.979 0.300 . 1 . . . . 107 LYS CA . 11096 1 1203 . 1 1 107 107 LYS CB C 13 34.105 0.300 . 1 . . . . 107 LYS CB . 11096 1 1204 . 1 1 107 107 LYS CD C 13 29.386 0.300 . 1 . . . . 107 LYS CD . 11096 1 1205 . 1 1 107 107 LYS CE C 13 42.103 0.300 . 1 . . . . 107 LYS CE . 11096 1 1206 . 1 1 107 107 LYS CG C 13 25.073 0.300 . 1 . . . . 107 LYS CG . 11096 1 1207 . 1 1 107 107 LYS N N 15 123.116 0.300 . 1 . . . . 107 LYS N . 11096 1 1208 . 1 1 108 108 VAL H H 1 9.412 0.030 . 1 . . . . 108 VAL H . 11096 1 1209 . 1 1 108 108 VAL HA H 1 4.247 0.030 . 1 . . . . 108 VAL HA . 11096 1 1210 . 1 1 108 108 VAL HB H 1 2.138 0.030 . 1 . . . . 108 VAL HB . 11096 1 1211 . 1 1 108 108 VAL HG11 H 1 0.937 0.030 . 1 . . . . 108 VAL HG1 . 11096 1 1212 . 1 1 108 108 VAL HG12 H 1 0.937 0.030 . 1 . . . . 108 VAL HG1 . 11096 1 1213 . 1 1 108 108 VAL HG13 H 1 0.937 0.030 . 1 . . . . 108 VAL HG1 . 11096 1 1214 . 1 1 108 108 VAL HG21 H 1 0.899 0.030 . 1 . . . . 108 VAL HG2 . 11096 1 1215 . 1 1 108 108 VAL HG22 H 1 0.899 0.030 . 1 . . . . 108 VAL HG2 . 11096 1 1216 . 1 1 108 108 VAL HG23 H 1 0.899 0.030 . 1 . . . . 108 VAL HG2 . 11096 1 1217 . 1 1 108 108 VAL C C 13 173.009 0.300 . 1 . . . . 108 VAL C . 11096 1 1218 . 1 1 108 108 VAL CA C 13 61.476 0.300 . 1 . . . . 108 VAL CA . 11096 1 1219 . 1 1 108 108 VAL CB C 13 36.752 0.300 . 1 . . . . 108 VAL CB . 11096 1 1220 . 1 1 108 108 VAL CG1 C 13 21.929 0.300 . 2 . . . . 108 VAL CG1 . 11096 1 1221 . 1 1 108 108 VAL CG2 C 13 21.654 0.300 . 2 . . . . 108 VAL CG2 . 11096 1 1222 . 1 1 108 108 VAL N N 15 124.925 0.300 . 1 . . . . 108 VAL N . 11096 1 1223 . 1 1 109 109 ALA H H 1 8.372 0.030 . 1 . . . . 109 ALA H . 11096 1 1224 . 1 1 109 109 ALA HA H 1 5.767 0.030 . 1 . . . . 109 ALA HA . 11096 1 1225 . 1 1 109 109 ALA HB1 H 1 1.247 0.030 . 1 . . . . 109 ALA HB . 11096 1 1226 . 1 1 109 109 ALA HB2 H 1 1.247 0.030 . 1 . . . . 109 ALA HB . 11096 1 1227 . 1 1 109 109 ALA HB3 H 1 1.247 0.030 . 1 . . . . 109 ALA HB . 11096 1 1228 . 1 1 109 109 ALA C C 13 178.815 0.300 . 1 . . . . 109 ALA C . 11096 1 1229 . 1 1 109 109 ALA CA C 13 49.728 0.300 . 1 . . . . 109 ALA CA . 11096 1 1230 . 1 1 109 109 ALA CB C 13 19.857 0.300 . 1 . . . . 109 ALA CB . 11096 1 1231 . 1 1 109 109 ALA N N 15 129.800 0.300 . 1 . . . . 109 ALA N . 11096 1 1232 . 1 1 110 110 THR H H 1 8.995 0.030 . 1 . . . . 110 THR H . 11096 1 1233 . 1 1 110 110 THR HA H 1 4.148 0.030 . 1 . . . . 110 THR HA . 11096 1 1234 . 1 1 110 110 THR HB H 1 4.741 0.030 . 1 . . . . 110 THR HB . 11096 1 1235 . 1 1 110 110 THR HG21 H 1 0.982 0.030 . 1 . . . . 110 THR HG2 . 11096 1 1236 . 1 1 110 110 THR HG22 H 1 0.982 0.030 . 1 . . . . 110 THR HG2 . 11096 1 1237 . 1 1 110 110 THR HG23 H 1 0.982 0.030 . 1 . . . . 110 THR HG2 . 11096 1 1238 . 1 1 110 110 THR C C 13 176.288 0.300 . 1 . . . . 110 THR C . 11096 1 1239 . 1 1 110 110 THR CA C 13 60.659 0.300 . 1 . . . . 110 THR CA . 11096 1 1240 . 1 1 110 110 THR CB C 13 69.481 0.300 . 1 . . . . 110 THR CB . 11096 1 1241 . 1 1 110 110 THR CG2 C 13 24.327 0.300 . 1 . . . . 110 THR CG2 . 11096 1 1242 . 1 1 110 110 THR N N 15 111.910 0.300 . 1 . . . . 110 THR N . 11096 1 1243 . 1 1 111 111 GLN H H 1 7.431 0.030 . 1 . . . . 111 GLN H . 11096 1 1244 . 1 1 111 111 GLN HA H 1 4.337 0.030 . 1 . . . . 111 GLN HA . 11096 1 1245 . 1 1 111 111 GLN HB2 H 1 2.156 0.030 . 2 . . . . 111 GLN HB2 . 11096 1 1246 . 1 1 111 111 GLN HB3 H 1 1.264 0.030 . 2 . . . . 111 GLN HB3 . 11096 1 1247 . 1 1 111 111 GLN HE21 H 1 7.255 0.030 . 2 . . . . 111 GLN HE21 . 11096 1 1248 . 1 1 111 111 GLN HE22 H 1 6.794 0.030 . 2 . . . . 111 GLN HE22 . 11096 1 1249 . 1 1 111 111 GLN HG2 H 1 2.260 0.030 . 2 . . . . 111 GLN HG2 . 11096 1 1250 . 1 1 111 111 GLN HG3 H 1 2.194 0.030 . 2 . . . . 111 GLN HG3 . 11096 1 1251 . 1 1 111 111 GLN C C 13 174.211 0.300 . 1 . . . . 111 GLN C . 11096 1 1252 . 1 1 111 111 GLN CA C 13 54.368 0.300 . 1 . . . . 111 GLN CA . 11096 1 1253 . 1 1 111 111 GLN CB C 13 28.604 0.300 . 1 . . . . 111 GLN CB . 11096 1 1254 . 1 1 111 111 GLN CG C 13 33.821 0.300 . 1 . . . . 111 GLN CG . 11096 1 1255 . 1 1 111 111 GLN N N 15 118.812 0.300 . 1 . . . . 111 GLN N . 11096 1 1256 . 1 1 111 111 GLN NE2 N 15 111.671 0.300 . 1 . . . . 111 GLN NE2 . 11096 1 1257 . 1 1 112 112 PRO HA H 1 4.480 0.030 . 1 . . . . 112 PRO HA . 11096 1 1258 . 1 1 112 112 PRO HB2 H 1 2.208 0.030 . 2 . . . . 112 PRO HB2 . 11096 1 1259 . 1 1 112 112 PRO HB3 H 1 1.806 0.030 . 2 . . . . 112 PRO HB3 . 11096 1 1260 . 1 1 112 112 PRO HD2 H 1 3.689 0.030 . 2 . . . . 112 PRO HD2 . 11096 1 1261 . 1 1 112 112 PRO HD3 H 1 3.542 0.030 . 2 . . . . 112 PRO HD3 . 11096 1 1262 . 1 1 112 112 PRO HG2 H 1 1.931 0.030 . 2 . . . . 112 PRO HG2 . 11096 1 1263 . 1 1 112 112 PRO HG3 H 1 1.889 0.030 . 2 . . . . 112 PRO HG3 . 11096 1 1264 . 1 1 112 112 PRO C C 13 176.639 0.300 . 1 . . . . 112 PRO C . 11096 1 1265 . 1 1 112 112 PRO CA C 13 62.506 0.300 . 1 . . . . 112 PRO CA . 11096 1 1266 . 1 1 112 112 PRO CB C 13 32.076 0.300 . 1 . . . . 112 PRO CB . 11096 1 1267 . 1 1 112 112 PRO CD C 13 49.960 0.300 . 1 . . . . 112 PRO CD . 11096 1 1268 . 1 1 112 112 PRO CG C 13 27.426 0.300 . 1 . . . . 112 PRO CG . 11096 1 1269 . 1 1 113 113 GLU H H 1 8.889 0.030 . 1 . . . . 113 GLU H . 11096 1 1270 . 1 1 113 113 GLU HA H 1 4.328 0.030 . 1 . . . . 113 GLU HA . 11096 1 1271 . 1 1 113 113 GLU HB2 H 1 2.008 0.030 . 2 . . . . 113 GLU HB2 . 11096 1 1272 . 1 1 113 113 GLU HB3 H 1 1.833 0.030 . 2 . . . . 113 GLU HB3 . 11096 1 1273 . 1 1 113 113 GLU HG2 H 1 2.228 0.030 . 1 . . . . 113 GLU HG2 . 11096 1 1274 . 1 1 113 113 GLU HG3 H 1 2.228 0.030 . 1 . . . . 113 GLU HG3 . 11096 1 1275 . 1 1 113 113 GLU C C 13 176.319 0.300 . 1 . . . . 113 GLU C . 11096 1 1276 . 1 1 113 113 GLU CA C 13 56.497 0.300 . 1 . . . . 113 GLU CA . 11096 1 1277 . 1 1 113 113 GLU CB C 13 31.063 0.300 . 1 . . . . 113 GLU CB . 11096 1 1278 . 1 1 113 113 GLU CG C 13 36.885 0.300 . 1 . . . . 113 GLU CG . 11096 1 1279 . 1 1 113 113 GLU N N 15 121.158 0.300 . 1 . . . . 113 GLU N . 11096 1 1280 . 1 1 114 114 SER H H 1 8.408 0.030 . 1 . . . . 114 SER H . 11096 1 1281 . 1 1 114 114 SER HA H 1 4.448 0.030 . 1 . . . . 114 SER HA . 11096 1 1282 . 1 1 114 114 SER HB2 H 1 3.800 0.030 . 2 . . . . 114 SER HB2 . 11096 1 1283 . 1 1 114 114 SER C C 13 174.487 0.300 . 1 . . . . 114 SER C . 11096 1 1284 . 1 1 114 114 SER CA C 13 58.151 0.300 . 1 . . . . 114 SER CA . 11096 1 1285 . 1 1 114 114 SER CB C 13 63.944 0.300 . 1 . . . . 114 SER CB . 11096 1 1286 . 1 1 114 114 SER N N 15 117.769 0.300 . 1 . . . . 114 SER N . 11096 1 1287 . 1 1 115 115 GLY H H 1 8.278 0.030 . 1 . . . . 115 GLY H . 11096 1 1288 . 1 1 115 115 GLY HA2 H 1 4.116 0.030 . 2 . . . . 115 GLY HA2 . 11096 1 1289 . 1 1 115 115 GLY HA3 H 1 4.056 0.030 . 2 . . . . 115 GLY HA3 . 11096 1 1290 . 1 1 115 115 GLY C C 13 171.719 0.300 . 1 . . . . 115 GLY C . 11096 1 1291 . 1 1 115 115 GLY CA C 13 44.611 0.300 . 1 . . . . 115 GLY CA . 11096 1 1292 . 1 1 115 115 GLY N N 15 110.842 0.300 . 1 . . . . 115 GLY N . 11096 1 stop_ save_