data_11275 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11275 _Entry.Title ; Solution Structure of the RRM Domain in the Human Poly (ADP-ribose) Polymerase Family, Member 10 Variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Zhao . . . 11275 2 T. Kigawa . . . 11275 3 N. Tochio . . . 11275 4 S. Koshiba . . . 11275 5 M. Inoue . . . 11275 6 S. Yokoyama . . . 11275 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)' . 11275 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11275 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 411 11275 '15N chemical shifts' 92 11275 '1H chemical shifts' 625 11275 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-18 2010-08-09 original author . 11275 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DHX 'BMRB Entry Tracking System' 11275 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11275 _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 RRM Domain in the Human Poly (ADP-ribose) Polymerase Family, Member 10 Variant ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Zhao . . . 11275 1 2 T. Kigawa . . . 11275 1 3 N. Tochio . . . 11275 1 4 S. Koshiba . . . 11275 1 5 M. Inoue . . . 11275 1 6 S. Yokoyama . . . 11275 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11275 _Assembly.ID 1 _Assembly.Name 'poly (ADP-ribose) polymerase family, member 10 variant' _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 'RRM domain' 1 $entity_1 A . yes native no no . . . 11275 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 2dhx . . . . . . 11275 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11275 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RRM domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGGVAVEVRGLPPAV PDELLTLYFENRRRSGGGPV LSWQRLGCGGVLTFREPADA ERVLAQADHELHGAQLSLRP APPRAPARLLLQGLPPGTSG PSSG ; _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 104 _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 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2DHX . "Solution Structure Of The Rrm Domain In The Human Poly (Adp- Ribose) Polymerase Family, Member 10 Variant" . . . . . 100.00 104 100.00 100.00 8.17e-64 . . . . 11275 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RRM domain' . 11275 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 . 11275 1 2 . SER . 11275 1 3 . SER . 11275 1 4 . GLY . 11275 1 5 . SER . 11275 1 6 . SER . 11275 1 7 . GLY . 11275 1 8 . GLY . 11275 1 9 . VAL . 11275 1 10 . ALA . 11275 1 11 . VAL . 11275 1 12 . GLU . 11275 1 13 . VAL . 11275 1 14 . ARG . 11275 1 15 . GLY . 11275 1 16 . LEU . 11275 1 17 . PRO . 11275 1 18 . PRO . 11275 1 19 . ALA . 11275 1 20 . VAL . 11275 1 21 . PRO . 11275 1 22 . ASP . 11275 1 23 . GLU . 11275 1 24 . LEU . 11275 1 25 . LEU . 11275 1 26 . THR . 11275 1 27 . LEU . 11275 1 28 . TYR . 11275 1 29 . PHE . 11275 1 30 . GLU . 11275 1 31 . ASN . 11275 1 32 . ARG . 11275 1 33 . ARG . 11275 1 34 . ARG . 11275 1 35 . SER . 11275 1 36 . GLY . 11275 1 37 . GLY . 11275 1 38 . GLY . 11275 1 39 . PRO . 11275 1 40 . VAL . 11275 1 41 . LEU . 11275 1 42 . SER . 11275 1 43 . TRP . 11275 1 44 . GLN . 11275 1 45 . ARG . 11275 1 46 . LEU . 11275 1 47 . GLY . 11275 1 48 . CYS . 11275 1 49 . GLY . 11275 1 50 . GLY . 11275 1 51 . VAL . 11275 1 52 . LEU . 11275 1 53 . THR . 11275 1 54 . PHE . 11275 1 55 . ARG . 11275 1 56 . GLU . 11275 1 57 . PRO . 11275 1 58 . ALA . 11275 1 59 . ASP . 11275 1 60 . ALA . 11275 1 61 . GLU . 11275 1 62 . ARG . 11275 1 63 . VAL . 11275 1 64 . LEU . 11275 1 65 . ALA . 11275 1 66 . GLN . 11275 1 67 . ALA . 11275 1 68 . ASP . 11275 1 69 . HIS . 11275 1 70 . GLU . 11275 1 71 . LEU . 11275 1 72 . HIS . 11275 1 73 . GLY . 11275 1 74 . ALA . 11275 1 75 . GLN . 11275 1 76 . LEU . 11275 1 77 . SER . 11275 1 78 . LEU . 11275 1 79 . ARG . 11275 1 80 . PRO . 11275 1 81 . ALA . 11275 1 82 . PRO . 11275 1 83 . PRO . 11275 1 84 . ARG . 11275 1 85 . ALA . 11275 1 86 . PRO . 11275 1 87 . ALA . 11275 1 88 . ARG . 11275 1 89 . LEU . 11275 1 90 . LEU . 11275 1 91 . LEU . 11275 1 92 . GLN . 11275 1 93 . GLY . 11275 1 94 . LEU . 11275 1 95 . PRO . 11275 1 96 . PRO . 11275 1 97 . GLY . 11275 1 98 . THR . 11275 1 99 . SER . 11275 1 100 . GLY . 11275 1 101 . PRO . 11275 1 102 . SER . 11275 1 103 . SER . 11275 1 104 . GLY . 11275 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 11275 1 . SER 2 2 11275 1 . SER 3 3 11275 1 . GLY 4 4 11275 1 . SER 5 5 11275 1 . SER 6 6 11275 1 . GLY 7 7 11275 1 . GLY 8 8 11275 1 . VAL 9 9 11275 1 . ALA 10 10 11275 1 . VAL 11 11 11275 1 . GLU 12 12 11275 1 . VAL 13 13 11275 1 . ARG 14 14 11275 1 . GLY 15 15 11275 1 . LEU 16 16 11275 1 . PRO 17 17 11275 1 . PRO 18 18 11275 1 . ALA 19 19 11275 1 . VAL 20 20 11275 1 . PRO 21 21 11275 1 . ASP 22 22 11275 1 . GLU 23 23 11275 1 . LEU 24 24 11275 1 . LEU 25 25 11275 1 . THR 26 26 11275 1 . LEU 27 27 11275 1 . TYR 28 28 11275 1 . PHE 29 29 11275 1 . GLU 30 30 11275 1 . ASN 31 31 11275 1 . ARG 32 32 11275 1 . ARG 33 33 11275 1 . ARG 34 34 11275 1 . SER 35 35 11275 1 . GLY 36 36 11275 1 . GLY 37 37 11275 1 . GLY 38 38 11275 1 . PRO 39 39 11275 1 . VAL 40 40 11275 1 . LEU 41 41 11275 1 . SER 42 42 11275 1 . TRP 43 43 11275 1 . GLN 44 44 11275 1 . ARG 45 45 11275 1 . LEU 46 46 11275 1 . GLY 47 47 11275 1 . CYS 48 48 11275 1 . GLY 49 49 11275 1 . GLY 50 50 11275 1 . VAL 51 51 11275 1 . LEU 52 52 11275 1 . THR 53 53 11275 1 . PHE 54 54 11275 1 . ARG 55 55 11275 1 . GLU 56 56 11275 1 . PRO 57 57 11275 1 . ALA 58 58 11275 1 . ASP 59 59 11275 1 . ALA 60 60 11275 1 . GLU 61 61 11275 1 . ARG 62 62 11275 1 . VAL 63 63 11275 1 . LEU 64 64 11275 1 . ALA 65 65 11275 1 . GLN 66 66 11275 1 . ALA 67 67 11275 1 . ASP 68 68 11275 1 . HIS 69 69 11275 1 . GLU 70 70 11275 1 . LEU 71 71 11275 1 . HIS 72 72 11275 1 . GLY 73 73 11275 1 . ALA 74 74 11275 1 . GLN 75 75 11275 1 . LEU 76 76 11275 1 . SER 77 77 11275 1 . LEU 78 78 11275 1 . ARG 79 79 11275 1 . PRO 80 80 11275 1 . ALA 81 81 11275 1 . PRO 82 82 11275 1 . PRO 83 83 11275 1 . ARG 84 84 11275 1 . ALA 85 85 11275 1 . PRO 86 86 11275 1 . ALA 87 87 11275 1 . ARG 88 88 11275 1 . LEU 89 89 11275 1 . LEU 90 90 11275 1 . LEU 91 91 11275 1 . GLN 92 92 11275 1 . GLY 93 93 11275 1 . LEU 94 94 11275 1 . PRO 95 95 11275 1 . PRO 96 96 11275 1 . GLY 97 97 11275 1 . THR 98 98 11275 1 . SER 99 99 11275 1 . GLY 100 100 11275 1 . PRO 101 101 11275 1 . SER 102 102 11275 1 . SER 103 103 11275 1 . GLY 104 104 11275 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 11275 _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 . . . . . . . . . . . . . . . . . . . . . 11275 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 11275 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' . . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050822-12 . . . . . . 11275 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11275 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.22mM RRM domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10%D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RRM domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.22 . . mM . . . . 11275 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11275 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11275 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11275 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11275 1 6 H2O . . . . . . solvent 90 . . % . . . . 11275 1 7 D2O . . . . . . solvent 10 . . % . . . . 11275 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 11275 _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 11275 1 pH 7.0 0.05 pH 11275 1 pressure 1 0.001 atm 11275 1 temperature 296.0 0.1 K 11275 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11275 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11275 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11275 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11275 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11275 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11275 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11275 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11275 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11275 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11275 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9732 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11275 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11275 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11275 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11275 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11275 5 'structure solution' 11275 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 11275 _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 11275 _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 . . . 11275 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 11275 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11275 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11275 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 11275 _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 . . . . . . . . . 11275 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11275 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11275 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 11275 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11275 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11275 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 . . 11275 1 2 $NMRPipe . . 11275 1 3 $NMRView . . 11275 1 4 $Kujira . . 11275 1 5 $CYANA . . 11275 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY C C 13 174.247 0.300 . 1 . . . . 7 GLY C . 11275 1 2 . 1 1 7 7 GLY CA C 13 45.241 0.300 . 1 . . . . 7 GLY CA . 11275 1 3 . 1 1 8 8 GLY H H 1 8.199 0.030 . 1 . . . . 8 GLY H . 11275 1 4 . 1 1 8 8 GLY HA2 H 1 3.969 0.030 . 2 . . . . 8 GLY HA2 . 11275 1 5 . 1 1 8 8 GLY HA3 H 1 4.071 0.030 . 2 . . . . 8 GLY HA3 . 11275 1 6 . 1 1 8 8 GLY C C 13 173.762 0.300 . 1 . . . . 8 GLY C . 11275 1 7 . 1 1 8 8 GLY CA C 13 45.135 0.300 . 1 . . . . 8 GLY CA . 11275 1 8 . 1 1 8 8 GLY N N 15 108.131 0.300 . 1 . . . . 8 GLY N . 11275 1 9 . 1 1 9 9 VAL H H 1 8.150 0.030 . 1 . . . . 9 VAL H . 11275 1 10 . 1 1 9 9 VAL HA H 1 4.329 0.030 . 1 . . . . 9 VAL HA . 11275 1 11 . 1 1 9 9 VAL HB H 1 2.199 0.030 . 1 . . . . 9 VAL HB . 11275 1 12 . 1 1 9 9 VAL HG11 H 1 0.821 0.030 . 1 . . . . 9 VAL HG1 . 11275 1 13 . 1 1 9 9 VAL HG12 H 1 0.821 0.030 . 1 . . . . 9 VAL HG1 . 11275 1 14 . 1 1 9 9 VAL HG13 H 1 0.821 0.030 . 1 . . . . 9 VAL HG1 . 11275 1 15 . 1 1 9 9 VAL HG21 H 1 0.895 0.030 . 1 . . . . 9 VAL HG2 . 11275 1 16 . 1 1 9 9 VAL HG22 H 1 0.895 0.030 . 1 . . . . 9 VAL HG2 . 11275 1 17 . 1 1 9 9 VAL HG23 H 1 0.895 0.030 . 1 . . . . 9 VAL HG2 . 11275 1 18 . 1 1 9 9 VAL C C 13 174.513 0.300 . 1 . . . . 9 VAL C . 11275 1 19 . 1 1 9 9 VAL CA C 13 61.989 0.300 . 1 . . . . 9 VAL CA . 11275 1 20 . 1 1 9 9 VAL CB C 13 34.151 0.300 . 1 . . . . 9 VAL CB . 11275 1 21 . 1 1 9 9 VAL CG1 C 13 21.638 0.300 . 2 . . . . 9 VAL CG1 . 11275 1 22 . 1 1 9 9 VAL CG2 C 13 19.980 0.300 . 2 . . . . 9 VAL CG2 . 11275 1 23 . 1 1 9 9 VAL N N 15 115.266 0.300 . 1 . . . . 9 VAL N . 11275 1 24 . 1 1 10 10 ALA H H 1 8.385 0.030 . 1 . . . . 10 ALA H . 11275 1 25 . 1 1 10 10 ALA HA H 1 5.425 0.030 . 1 . . . . 10 ALA HA . 11275 1 26 . 1 1 10 10 ALA HB1 H 1 1.241 0.030 . 1 . . . . 10 ALA HB . 11275 1 27 . 1 1 10 10 ALA HB2 H 1 1.241 0.030 . 1 . . . . 10 ALA HB . 11275 1 28 . 1 1 10 10 ALA HB3 H 1 1.241 0.030 . 1 . . . . 10 ALA HB . 11275 1 29 . 1 1 10 10 ALA C C 13 177.105 0.300 . 1 . . . . 10 ALA C . 11275 1 30 . 1 1 10 10 ALA CA C 13 50.905 0.300 . 1 . . . . 10 ALA CA . 11275 1 31 . 1 1 10 10 ALA CB C 13 21.222 0.300 . 1 . . . . 10 ALA CB . 11275 1 32 . 1 1 10 10 ALA N N 15 128.172 0.300 . 1 . . . . 10 ALA N . 11275 1 33 . 1 1 11 11 VAL H H 1 9.565 0.030 . 1 . . . . 11 VAL H . 11275 1 34 . 1 1 11 11 VAL HA H 1 4.531 0.030 . 1 . . . . 11 VAL HA . 11275 1 35 . 1 1 11 11 VAL HB H 1 2.093 0.030 . 1 . . . . 11 VAL HB . 11275 1 36 . 1 1 11 11 VAL HG11 H 1 0.857 0.030 . 1 . . . . 11 VAL HG1 . 11275 1 37 . 1 1 11 11 VAL HG12 H 1 0.857 0.030 . 1 . . . . 11 VAL HG1 . 11275 1 38 . 1 1 11 11 VAL HG13 H 1 0.857 0.030 . 1 . . . . 11 VAL HG1 . 11275 1 39 . 1 1 11 11 VAL HG21 H 1 0.928 0.030 . 1 . . . . 11 VAL HG2 . 11275 1 40 . 1 1 11 11 VAL HG22 H 1 0.928 0.030 . 1 . . . . 11 VAL HG2 . 11275 1 41 . 1 1 11 11 VAL HG23 H 1 0.928 0.030 . 1 . . . . 11 VAL HG2 . 11275 1 42 . 1 1 11 11 VAL C C 13 174.028 0.300 . 1 . . . . 11 VAL C . 11275 1 43 . 1 1 11 11 VAL CA C 13 60.863 0.300 . 1 . . . . 11 VAL CA . 11275 1 44 . 1 1 11 11 VAL CB C 13 35.845 0.300 . 1 . . . . 11 VAL CB . 11275 1 45 . 1 1 11 11 VAL CG1 C 13 22.111 0.300 . 2 . . . . 11 VAL CG1 . 11275 1 46 . 1 1 11 11 VAL CG2 C 13 21.230 0.300 . 2 . . . . 11 VAL CG2 . 11275 1 47 . 1 1 11 11 VAL N N 15 121.992 0.300 . 1 . . . . 11 VAL N . 11275 1 48 . 1 1 12 12 GLU H H 1 9.549 0.030 . 1 . . . . 12 GLU H . 11275 1 49 . 1 1 12 12 GLU HA H 1 4.943 0.030 . 1 . . . . 12 GLU HA . 11275 1 50 . 1 1 12 12 GLU HB2 H 1 1.826 0.030 . 2 . . . . 12 GLU HB2 . 11275 1 51 . 1 1 12 12 GLU HB3 H 1 2.010 0.030 . 2 . . . . 12 GLU HB3 . 11275 1 52 . 1 1 12 12 GLU HG2 H 1 2.258 0.030 . 2 . . . . 12 GLU HG2 . 11275 1 53 . 1 1 12 12 GLU HG3 H 1 2.041 0.030 . 2 . . . . 12 GLU HG3 . 11275 1 54 . 1 1 12 12 GLU C C 13 175.119 0.300 . 1 . . . . 12 GLU C . 11275 1 55 . 1 1 12 12 GLU CA C 13 55.409 0.300 . 1 . . . . 12 GLU CA . 11275 1 56 . 1 1 12 12 GLU CB C 13 31.848 0.300 . 1 . . . . 12 GLU CB . 11275 1 57 . 1 1 12 12 GLU CG C 13 36.792 0.300 . 1 . . . . 12 GLU CG . 11275 1 58 . 1 1 12 12 GLU N N 15 126.569 0.300 . 1 . . . . 12 GLU N . 11275 1 59 . 1 1 13 13 VAL H H 1 9.236 0.030 . 1 . . . . 13 VAL H . 11275 1 60 . 1 1 13 13 VAL HA H 1 4.577 0.030 . 1 . . . . 13 VAL HA . 11275 1 61 . 1 1 13 13 VAL HB H 1 2.101 0.030 . 1 . . . . 13 VAL HB . 11275 1 62 . 1 1 13 13 VAL HG11 H 1 0.984 0.030 . 1 . . . . 13 VAL HG1 . 11275 1 63 . 1 1 13 13 VAL HG12 H 1 0.984 0.030 . 1 . . . . 13 VAL HG1 . 11275 1 64 . 1 1 13 13 VAL HG13 H 1 0.984 0.030 . 1 . . . . 13 VAL HG1 . 11275 1 65 . 1 1 13 13 VAL HG21 H 1 0.827 0.030 . 1 . . . . 13 VAL HG2 . 11275 1 66 . 1 1 13 13 VAL HG22 H 1 0.827 0.030 . 1 . . . . 13 VAL HG2 . 11275 1 67 . 1 1 13 13 VAL HG23 H 1 0.827 0.030 . 1 . . . . 13 VAL HG2 . 11275 1 68 . 1 1 13 13 VAL C C 13 175.361 0.300 . 1 . . . . 13 VAL C . 11275 1 69 . 1 1 13 13 VAL CA C 13 61.285 0.300 . 1 . . . . 13 VAL CA . 11275 1 70 . 1 1 13 13 VAL CB C 13 34.431 0.300 . 1 . . . . 13 VAL CB . 11275 1 71 . 1 1 13 13 VAL CG1 C 13 22.494 0.300 . 2 . . . . 13 VAL CG1 . 11275 1 72 . 1 1 13 13 VAL CG2 C 13 21.733 0.300 . 2 . . . . 13 VAL CG2 . 11275 1 73 . 1 1 13 13 VAL N N 15 126.195 0.300 . 1 . . . . 13 VAL N . 11275 1 74 . 1 1 14 14 ARG H H 1 9.090 0.030 . 1 . . . . 14 ARG H . 11275 1 75 . 1 1 14 14 ARG HA H 1 5.080 0.030 . 1 . . . . 14 ARG HA . 11275 1 76 . 1 1 14 14 ARG HB2 H 1 2.013 0.030 . 2 . . . . 14 ARG HB2 . 11275 1 77 . 1 1 14 14 ARG HB3 H 1 1.836 0.030 . 2 . . . . 14 ARG HB3 . 11275 1 78 . 1 1 14 14 ARG HD2 H 1 3.141 0.030 . 2 . . . . 14 ARG HD2 . 11275 1 79 . 1 1 14 14 ARG HD3 H 1 3.173 0.030 . 2 . . . . 14 ARG HD3 . 11275 1 80 . 1 1 14 14 ARG HG2 H 1 1.686 0.030 . 2 . . . . 14 ARG HG2 . 11275 1 81 . 1 1 14 14 ARG HG3 H 1 1.761 0.030 . 2 . . . . 14 ARG HG3 . 11275 1 82 . 1 1 14 14 ARG C C 13 175.458 0.300 . 1 . . . . 14 ARG C . 11275 1 83 . 1 1 14 14 ARG CA C 13 55.163 0.300 . 1 . . . . 14 ARG CA . 11275 1 84 . 1 1 14 14 ARG CB C 13 33.493 0.300 . 1 . . . . 14 ARG CB . 11275 1 85 . 1 1 14 14 ARG CD C 13 43.443 0.300 . 1 . . . . 14 ARG CD . 11275 1 86 . 1 1 14 14 ARG CG C 13 27.901 0.300 . 1 . . . . 14 ARG CG . 11275 1 87 . 1 1 14 14 ARG N N 15 126.292 0.300 . 1 . . . . 14 ARG N . 11275 1 88 . 1 1 15 15 GLY H H 1 8.415 0.030 . 1 . . . . 15 GLY H . 11275 1 89 . 1 1 15 15 GLY HA2 H 1 3.777 0.030 . 2 . . . . 15 GLY HA2 . 11275 1 90 . 1 1 15 15 GLY HA3 H 1 4.453 0.030 . 2 . . . . 15 GLY HA3 . 11275 1 91 . 1 1 15 15 GLY C C 13 174.077 0.300 . 1 . . . . 15 GLY C . 11275 1 92 . 1 1 15 15 GLY CA C 13 45.346 0.300 . 1 . . . . 15 GLY CA . 11275 1 93 . 1 1 15 15 GLY N N 15 108.661 0.300 . 1 . . . . 15 GLY N . 11275 1 94 . 1 1 16 16 LEU H H 1 7.530 0.030 . 1 . . . . 16 LEU H . 11275 1 95 . 1 1 16 16 LEU HA H 1 4.332 0.030 . 1 . . . . 16 LEU HA . 11275 1 96 . 1 1 16 16 LEU HB2 H 1 1.764 0.030 . 2 . . . . 16 LEU HB2 . 11275 1 97 . 1 1 16 16 LEU HB3 H 1 0.956 0.030 . 2 . . . . 16 LEU HB3 . 11275 1 98 . 1 1 16 16 LEU HD11 H 1 0.799 0.030 . 1 . . . . 16 LEU HD1 . 11275 1 99 . 1 1 16 16 LEU HD12 H 1 0.799 0.030 . 1 . . . . 16 LEU HD1 . 11275 1 100 . 1 1 16 16 LEU HD13 H 1 0.799 0.030 . 1 . . . . 16 LEU HD1 . 11275 1 101 . 1 1 16 16 LEU HD21 H 1 0.900 0.030 . 1 . . . . 16 LEU HD2 . 11275 1 102 . 1 1 16 16 LEU HD22 H 1 0.900 0.030 . 1 . . . . 16 LEU HD2 . 11275 1 103 . 1 1 16 16 LEU HD23 H 1 0.900 0.030 . 1 . . . . 16 LEU HD2 . 11275 1 104 . 1 1 16 16 LEU HG H 1 1.541 0.030 . 1 . . . . 16 LEU HG . 11275 1 105 . 1 1 16 16 LEU C C 13 173.374 0.300 . 1 . . . . 16 LEU C . 11275 1 106 . 1 1 16 16 LEU CA C 13 51.539 0.300 . 1 . . . . 16 LEU CA . 11275 1 107 . 1 1 16 16 LEU CB C 13 44.197 0.300 . 1 . . . . 16 LEU CB . 11275 1 108 . 1 1 16 16 LEU CD1 C 13 25.051 0.300 . 2 . . . . 16 LEU CD1 . 11275 1 109 . 1 1 16 16 LEU CD2 C 13 27.339 0.300 . 2 . . . . 16 LEU CD2 . 11275 1 110 . 1 1 16 16 LEU CG C 13 27.248 0.300 . 1 . . . . 16 LEU CG . 11275 1 111 . 1 1 16 16 LEU N N 15 121.629 0.300 . 1 . . . . 16 LEU N . 11275 1 112 . 1 1 17 17 PRO HB2 H 1 2.528 0.030 . 2 . . . . 17 PRO HB2 . 11275 1 113 . 1 1 17 17 PRO HB3 H 1 1.881 0.030 . 2 . . . . 17 PRO HB3 . 11275 1 114 . 1 1 17 17 PRO HD2 H 1 3.367 0.030 . 2 . . . . 17 PRO HD2 . 11275 1 115 . 1 1 17 17 PRO HD3 H 1 4.472 0.030 . 2 . . . . 17 PRO HD3 . 11275 1 116 . 1 1 17 17 PRO HG2 H 1 2.026 0.030 . 2 . . . . 17 PRO HG2 . 11275 1 117 . 1 1 17 17 PRO HG3 H 1 2.111 0.030 . 2 . . . . 17 PRO HG3 . 11275 1 118 . 1 1 17 17 PRO CA C 13 61.099 0.300 . 1 . . . . 17 PRO CA . 11275 1 119 . 1 1 17 17 PRO CB C 13 31.582 0.300 . 1 . . . . 17 PRO CB . 11275 1 120 . 1 1 17 17 PRO CD C 13 50.949 0.300 . 1 . . . . 17 PRO CD . 11275 1 121 . 1 1 17 17 PRO CG C 13 27.889 0.300 . 1 . . . . 17 PRO CG . 11275 1 122 . 1 1 18 18 PRO HA H 1 4.328 0.030 . 1 . . . . 18 PRO HA . 11275 1 123 . 1 1 18 18 PRO HB2 H 1 1.894 0.030 . 2 . . . . 18 PRO HB2 . 11275 1 124 . 1 1 18 18 PRO HB3 H 1 2.343 0.030 . 2 . . . . 18 PRO HB3 . 11275 1 125 . 1 1 18 18 PRO HD2 H 1 3.837 0.030 . 2 . . . . 18 PRO HD2 . 11275 1 126 . 1 1 18 18 PRO HD3 H 1 3.966 0.030 . 2 . . . . 18 PRO HD3 . 11275 1 127 . 1 1 18 18 PRO HG2 H 1 2.022 0.030 . 2 . . . . 18 PRO HG2 . 11275 1 128 . 1 1 18 18 PRO HG3 H 1 2.083 0.030 . 2 . . . . 18 PRO HG3 . 11275 1 129 . 1 1 18 18 PRO C C 13 177.081 0.300 . 1 . . . . 18 PRO C . 11275 1 130 . 1 1 18 18 PRO CA C 13 64.417 0.300 . 1 . . . . 18 PRO CA . 11275 1 131 . 1 1 18 18 PRO CB C 13 31.819 0.300 . 1 . . . . 18 PRO CB . 11275 1 132 . 1 1 18 18 PRO CD C 13 51.009 0.300 . 1 . . . . 18 PRO CD . 11275 1 133 . 1 1 18 18 PRO CG C 13 27.407 0.300 . 1 . . . . 18 PRO CG . 11275 1 134 . 1 1 19 19 ALA H H 1 7.641 0.030 . 1 . . . . 19 ALA H . 11275 1 135 . 1 1 19 19 ALA HA H 1 4.145 0.030 . 1 . . . . 19 ALA HA . 11275 1 136 . 1 1 19 19 ALA HB1 H 1 1.397 0.030 . 1 . . . . 19 ALA HB . 11275 1 137 . 1 1 19 19 ALA HB2 H 1 1.397 0.030 . 1 . . . . 19 ALA HB . 11275 1 138 . 1 1 19 19 ALA HB3 H 1 1.397 0.030 . 1 . . . . 19 ALA HB . 11275 1 139 . 1 1 19 19 ALA C C 13 178.341 0.300 . 1 . . . . 19 ALA C . 11275 1 140 . 1 1 19 19 ALA CA C 13 52.946 0.300 . 1 . . . . 19 ALA CA . 11275 1 141 . 1 1 19 19 ALA CB C 13 19.178 0.300 . 1 . . . . 19 ALA CB . 11275 1 142 . 1 1 19 19 ALA N N 15 114.751 0.300 . 1 . . . . 19 ALA N . 11275 1 143 . 1 1 20 20 VAL H H 1 7.448 0.030 . 1 . . . . 20 VAL H . 11275 1 144 . 1 1 20 20 VAL HA H 1 4.033 0.030 . 1 . . . . 20 VAL HA . 11275 1 145 . 1 1 20 20 VAL HB H 1 1.980 0.030 . 1 . . . . 20 VAL HB . 11275 1 146 . 1 1 20 20 VAL HG11 H 1 0.746 0.030 . 1 . . . . 20 VAL HG1 . 11275 1 147 . 1 1 20 20 VAL HG12 H 1 0.746 0.030 . 1 . . . . 20 VAL HG1 . 11275 1 148 . 1 1 20 20 VAL HG13 H 1 0.746 0.030 . 1 . . . . 20 VAL HG1 . 11275 1 149 . 1 1 20 20 VAL HG21 H 1 0.833 0.030 . 1 . . . . 20 VAL HG2 . 11275 1 150 . 1 1 20 20 VAL HG22 H 1 0.833 0.030 . 1 . . . . 20 VAL HG2 . 11275 1 151 . 1 1 20 20 VAL HG23 H 1 0.833 0.030 . 1 . . . . 20 VAL HG2 . 11275 1 152 . 1 1 20 20 VAL C C 13 173.714 0.300 . 1 . . . . 20 VAL C . 11275 1 153 . 1 1 20 20 VAL CA C 13 60.666 0.300 . 1 . . . . 20 VAL CA . 11275 1 154 . 1 1 20 20 VAL CB C 13 32.009 0.300 . 1 . . . . 20 VAL CB . 11275 1 155 . 1 1 20 20 VAL CG1 C 13 21.203 0.300 . 2 . . . . 20 VAL CG1 . 11275 1 156 . 1 1 20 20 VAL CG2 C 13 22.304 0.300 . 2 . . . . 20 VAL CG2 . 11275 1 157 . 1 1 20 20 VAL N N 15 120.111 0.300 . 1 . . . . 20 VAL N . 11275 1 158 . 1 1 21 21 PRO HA H 1 4.630 0.030 . 1 . . . . 21 PRO HA . 11275 1 159 . 1 1 21 21 PRO HB2 H 1 2.022 0.030 . 2 . . . . 21 PRO HB2 . 11275 1 160 . 1 1 21 21 PRO HB3 H 1 2.507 0.030 . 2 . . . . 21 PRO HB3 . 11275 1 161 . 1 1 21 21 PRO HD2 H 1 3.453 0.030 . 2 . . . . 21 PRO HD2 . 11275 1 162 . 1 1 21 21 PRO HD3 H 1 4.293 0.030 . 2 . . . . 21 PRO HD3 . 11275 1 163 . 1 1 21 21 PRO HG2 H 1 2.066 0.030 . 2 . . . . 21 PRO HG2 . 11275 1 164 . 1 1 21 21 PRO HG3 H 1 2.000 0.030 . 2 . . . . 21 PRO HG3 . 11275 1 165 . 1 1 21 21 PRO C C 13 177.202 0.300 . 1 . . . . 21 PRO C . 11275 1 166 . 1 1 21 21 PRO CA C 13 62.517 0.300 . 1 . . . . 21 PRO CA . 11275 1 167 . 1 1 21 21 PRO CB C 13 32.999 0.300 . 1 . . . . 21 PRO CB . 11275 1 168 . 1 1 21 21 PRO CD C 13 51.584 0.300 . 1 . . . . 21 PRO CD . 11275 1 169 . 1 1 21 21 PRO CG C 13 27.644 0.300 . 1 . . . . 21 PRO CG . 11275 1 170 . 1 1 22 22 ASP H H 1 9.037 0.030 . 1 . . . . 22 ASP H . 11275 1 171 . 1 1 22 22 ASP HA H 1 4.183 0.030 . 1 . . . . 22 ASP HA . 11275 1 172 . 1 1 22 22 ASP HB2 H 1 2.692 0.030 . 2 . . . . 22 ASP HB2 . 11275 1 173 . 1 1 22 22 ASP HB3 H 1 2.863 0.030 . 2 . . . . 22 ASP HB3 . 11275 1 174 . 1 1 22 22 ASP C C 13 178.026 0.300 . 1 . . . . 22 ASP C . 11275 1 175 . 1 1 22 22 ASP CA C 13 58.189 0.300 . 1 . . . . 22 ASP CA . 11275 1 176 . 1 1 22 22 ASP CB C 13 41.058 0.300 . 1 . . . . 22 ASP CB . 11275 1 177 . 1 1 22 22 ASP N N 15 123.088 0.300 . 1 . . . . 22 ASP N . 11275 1 178 . 1 1 23 23 GLU H H 1 9.277 0.030 . 1 . . . . 23 GLU H . 11275 1 179 . 1 1 23 23 GLU HA H 1 4.043 0.030 . 1 . . . . 23 GLU HA . 11275 1 180 . 1 1 23 23 GLU HB2 H 1 1.924 0.030 . 2 . . . . 23 GLU HB2 . 11275 1 181 . 1 1 23 23 GLU HB3 H 1 2.019 0.030 . 2 . . . . 23 GLU HB3 . 11275 1 182 . 1 1 23 23 GLU HG2 H 1 2.281 0.030 . 1 . . . . 23 GLU HG2 . 11275 1 183 . 1 1 23 23 GLU HG3 H 1 2.281 0.030 . 1 . . . . 23 GLU HG3 . 11275 1 184 . 1 1 23 23 GLU C C 13 177.929 0.300 . 1 . . . . 23 GLU C . 11275 1 185 . 1 1 23 23 GLU CA C 13 59.667 0.300 . 1 . . . . 23 GLU CA . 11275 1 186 . 1 1 23 23 GLU CB C 13 29.299 0.300 . 1 . . . . 23 GLU CB . 11275 1 187 . 1 1 23 23 GLU CG C 13 36.371 0.300 . 1 . . . . 23 GLU CG . 11275 1 188 . 1 1 23 23 GLU N N 15 117.154 0.300 . 1 . . . . 23 GLU N . 11275 1 189 . 1 1 24 24 LEU H H 1 6.786 0.030 . 1 . . . . 24 LEU H . 11275 1 190 . 1 1 24 24 LEU HA H 1 4.137 0.030 . 1 . . . . 24 LEU HA . 11275 1 191 . 1 1 24 24 LEU HB2 H 1 1.540 0.030 . 2 . . . . 24 LEU HB2 . 11275 1 192 . 1 1 24 24 LEU HB3 H 1 1.603 0.030 . 2 . . . . 24 LEU HB3 . 11275 1 193 . 1 1 24 24 LEU HD11 H 1 0.829 0.030 . 1 . . . . 24 LEU HD1 . 11275 1 194 . 1 1 24 24 LEU HD12 H 1 0.829 0.030 . 1 . . . . 24 LEU HD1 . 11275 1 195 . 1 1 24 24 LEU HD13 H 1 0.829 0.030 . 1 . . . . 24 LEU HD1 . 11275 1 196 . 1 1 24 24 LEU HD21 H 1 0.816 0.030 . 1 . . . . 24 LEU HD2 . 11275 1 197 . 1 1 24 24 LEU HD22 H 1 0.816 0.030 . 1 . . . . 24 LEU HD2 . 11275 1 198 . 1 1 24 24 LEU HD23 H 1 0.816 0.030 . 1 . . . . 24 LEU HD2 . 11275 1 199 . 1 1 24 24 LEU HG H 1 1.607 0.030 . 1 . . . . 24 LEU HG . 11275 1 200 . 1 1 24 24 LEU C C 13 178.850 0.300 . 1 . . . . 24 LEU C . 11275 1 201 . 1 1 24 24 LEU CA C 13 57.098 0.300 . 1 . . . . 24 LEU CA . 11275 1 202 . 1 1 24 24 LEU CB C 13 41.469 0.300 . 1 . . . . 24 LEU CB . 11275 1 203 . 1 1 24 24 LEU CD1 C 13 24.242 0.300 . 2 . . . . 24 LEU CD1 . 11275 1 204 . 1 1 24 24 LEU CD2 C 13 23.769 0.300 . 2 . . . . 24 LEU CD2 . 11275 1 205 . 1 1 24 24 LEU CG C 13 27.320 0.300 . 1 . . . . 24 LEU CG . 11275 1 206 . 1 1 24 24 LEU N N 15 116.495 0.300 . 1 . . . . 24 LEU N . 11275 1 207 . 1 1 25 25 LEU H H 1 7.212 0.030 . 1 . . . . 25 LEU H . 11275 1 208 . 1 1 25 25 LEU HA H 1 3.841 0.030 . 1 . . . . 25 LEU HA . 11275 1 209 . 1 1 25 25 LEU HB2 H 1 1.239 0.030 . 2 . . . . 25 LEU HB2 . 11275 1 210 . 1 1 25 25 LEU HB3 H 1 1.556 0.030 . 2 . . . . 25 LEU HB3 . 11275 1 211 . 1 1 25 25 LEU HD11 H 1 0.060 0.030 . 1 . . . . 25 LEU HD1 . 11275 1 212 . 1 1 25 25 LEU HD12 H 1 0.060 0.030 . 1 . . . . 25 LEU HD1 . 11275 1 213 . 1 1 25 25 LEU HD13 H 1 0.060 0.030 . 1 . . . . 25 LEU HD1 . 11275 1 214 . 1 1 25 25 LEU HD21 H 1 -0.011 0.030 . 1 . . . . 25 LEU HD2 . 11275 1 215 . 1 1 25 25 LEU HD22 H 1 -0.011 0.030 . 1 . . . . 25 LEU HD2 . 11275 1 216 . 1 1 25 25 LEU HD23 H 1 -0.011 0.030 . 1 . . . . 25 LEU HD2 . 11275 1 217 . 1 1 25 25 LEU HG H 1 1.243 0.030 . 1 . . . . 25 LEU HG . 11275 1 218 . 1 1 25 25 LEU C C 13 178.583 0.300 . 1 . . . . 25 LEU C . 11275 1 219 . 1 1 25 25 LEU CA C 13 57.731 0.300 . 1 . . . . 25 LEU CA . 11275 1 220 . 1 1 25 25 LEU CB C 13 41.058 0.300 . 1 . . . . 25 LEU CB . 11275 1 221 . 1 1 25 25 LEU CD1 C 13 23.871 0.300 . 2 . . . . 25 LEU CD1 . 11275 1 222 . 1 1 25 25 LEU CD2 C 13 25.023 0.300 . 2 . . . . 25 LEU CD2 . 11275 1 223 . 1 1 25 25 LEU CG C 13 26.924 0.300 . 1 . . . . 25 LEU CG . 11275 1 224 . 1 1 25 25 LEU N N 15 120.659 0.300 . 1 . . . . 25 LEU N . 11275 1 225 . 1 1 26 26 THR H H 1 8.225 0.030 . 1 . . . . 26 THR H . 11275 1 226 . 1 1 26 26 THR HA H 1 4.063 0.030 . 1 . . . . 26 THR HA . 11275 1 227 . 1 1 26 26 THR HB H 1 3.549 0.030 . 1 . . . . 26 THR HB . 11275 1 228 . 1 1 26 26 THR HG21 H 1 0.962 0.030 . 1 . . . . 26 THR HG2 . 11275 1 229 . 1 1 26 26 THR HG22 H 1 0.962 0.030 . 1 . . . . 26 THR HG2 . 11275 1 230 . 1 1 26 26 THR HG23 H 1 0.962 0.030 . 1 . . . . 26 THR HG2 . 11275 1 231 . 1 1 26 26 THR C C 13 175.943 0.300 . 1 . . . . 26 THR C . 11275 1 232 . 1 1 26 26 THR CA C 13 67.693 0.300 . 1 . . . . 26 THR CA . 11275 1 233 . 1 1 26 26 THR CB C 13 67.502 0.300 . 1 . . . . 26 THR CB . 11275 1 234 . 1 1 26 26 THR CG2 C 13 21.740 0.300 . 1 . . . . 26 THR CG2 . 11275 1 235 . 1 1 26 26 THR N N 15 113.203 0.300 . 1 . . . . 26 THR N . 11275 1 236 . 1 1 27 27 LEU H H 1 7.627 0.030 . 1 . . . . 27 LEU H . 11275 1 237 . 1 1 27 27 LEU HA H 1 4.049 0.030 . 1 . . . . 27 LEU HA . 11275 1 238 . 1 1 27 27 LEU HB2 H 1 1.477 0.030 . 2 . . . . 27 LEU HB2 . 11275 1 239 . 1 1 27 27 LEU HB3 H 1 1.880 0.030 . 2 . . . . 27 LEU HB3 . 11275 1 240 . 1 1 27 27 LEU HD11 H 1 0.908 0.030 . 1 . . . . 27 LEU HD1 . 11275 1 241 . 1 1 27 27 LEU HD12 H 1 0.908 0.030 . 1 . . . . 27 LEU HD1 . 11275 1 242 . 1 1 27 27 LEU HD13 H 1 0.908 0.030 . 1 . . . . 27 LEU HD1 . 11275 1 243 . 1 1 27 27 LEU HD21 H 1 0.881 0.030 . 1 . . . . 27 LEU HD2 . 11275 1 244 . 1 1 27 27 LEU HD22 H 1 0.881 0.030 . 1 . . . . 27 LEU HD2 . 11275 1 245 . 1 1 27 27 LEU HD23 H 1 0.881 0.030 . 1 . . . . 27 LEU HD2 . 11275 1 246 . 1 1 27 27 LEU HG H 1 1.821 0.030 . 1 . . . . 27 LEU HG . 11275 1 247 . 1 1 27 27 LEU C C 13 180.086 0.300 . 1 . . . . 27 LEU C . 11275 1 248 . 1 1 27 27 LEU CA C 13 58.048 0.300 . 1 . . . . 27 LEU CA . 11275 1 249 . 1 1 27 27 LEU CB C 13 42.374 0.300 . 1 . . . . 27 LEU CB . 11275 1 250 . 1 1 27 27 LEU CD1 C 13 23.789 0.300 . 2 . . . . 27 LEU CD1 . 11275 1 251 . 1 1 27 27 LEU CD2 C 13 25.352 0.300 . 2 . . . . 27 LEU CD2 . 11275 1 252 . 1 1 27 27 LEU CG C 13 27.004 0.300 . 1 . . . . 27 LEU CG . 11275 1 253 . 1 1 27 27 LEU N N 15 120.312 0.300 . 1 . . . . 27 LEU N . 11275 1 254 . 1 1 28 28 TYR H H 1 7.472 0.030 . 1 . . . . 28 TYR H . 11275 1 255 . 1 1 28 28 TYR HA H 1 4.071 0.030 . 1 . . . . 28 TYR HA . 11275 1 256 . 1 1 28 28 TYR HB2 H 1 2.786 0.030 . 2 . . . . 28 TYR HB2 . 11275 1 257 . 1 1 28 28 TYR HB3 H 1 2.960 0.030 . 2 . . . . 28 TYR HB3 . 11275 1 258 . 1 1 28 28 TYR HD1 H 1 5.991 0.030 . 1 . . . . 28 TYR HD1 . 11275 1 259 . 1 1 28 28 TYR HD2 H 1 5.991 0.030 . 1 . . . . 28 TYR HD2 . 11275 1 260 . 1 1 28 28 TYR HE1 H 1 6.268 0.030 . 1 . . . . 28 TYR HE1 . 11275 1 261 . 1 1 28 28 TYR HE2 H 1 6.268 0.030 . 1 . . . . 28 TYR HE2 . 11275 1 262 . 1 1 28 28 TYR C C 13 178.075 0.300 . 1 . . . . 28 TYR C . 11275 1 263 . 1 1 28 28 TYR CA C 13 61.848 0.300 . 1 . . . . 28 TYR CA . 11275 1 264 . 1 1 28 28 TYR CB C 13 38.686 0.300 . 1 . . . . 28 TYR CB . 11275 1 265 . 1 1 28 28 TYR CD1 C 13 132.400 0.300 . 1 . . . . 28 TYR CD1 . 11275 1 266 . 1 1 28 28 TYR CD2 C 13 132.400 0.300 . 1 . . . . 28 TYR CD2 . 11275 1 267 . 1 1 28 28 TYR CE1 C 13 118.269 0.300 . 1 . . . . 28 TYR CE1 . 11275 1 268 . 1 1 28 28 TYR CE2 C 13 118.269 0.300 . 1 . . . . 28 TYR CE2 . 11275 1 269 . 1 1 28 28 TYR N N 15 118.435 0.300 . 1 . . . . 28 TYR N . 11275 1 270 . 1 1 29 29 PHE H H 1 7.857 0.030 . 1 . . . . 29 PHE H . 11275 1 271 . 1 1 29 29 PHE HA H 1 4.281 0.030 . 1 . . . . 29 PHE HA . 11275 1 272 . 1 1 29 29 PHE HB2 H 1 2.506 0.030 . 2 . . . . 29 PHE HB2 . 11275 1 273 . 1 1 29 29 PHE HB3 H 1 3.256 0.030 . 2 . . . . 29 PHE HB3 . 11275 1 274 . 1 1 29 29 PHE HD1 H 1 7.227 0.030 . 1 . . . . 29 PHE HD1 . 11275 1 275 . 1 1 29 29 PHE HD2 H 1 7.227 0.030 . 1 . . . . 29 PHE HD2 . 11275 1 276 . 1 1 29 29 PHE HE1 H 1 6.746 0.030 . 1 . . . . 29 PHE HE1 . 11275 1 277 . 1 1 29 29 PHE HE2 H 1 6.746 0.030 . 1 . . . . 29 PHE HE2 . 11275 1 278 . 1 1 29 29 PHE HZ H 1 6.779 0.030 . 1 . . . . 29 PHE HZ . 11275 1 279 . 1 1 29 29 PHE C C 13 174.537 0.300 . 1 . . . . 29 PHE C . 11275 1 280 . 1 1 29 29 PHE CA C 13 62.728 0.300 . 1 . . . . 29 PHE CA . 11275 1 281 . 1 1 29 29 PHE CB C 13 39.160 0.300 . 1 . . . . 29 PHE CB . 11275 1 282 . 1 1 29 29 PHE CD1 C 13 132.314 0.300 . 1 . . . . 29 PHE CD1 . 11275 1 283 . 1 1 29 29 PHE CD2 C 13 132.314 0.300 . 1 . . . . 29 PHE CD2 . 11275 1 284 . 1 1 29 29 PHE CE1 C 13 130.693 0.300 . 1 . . . . 29 PHE CE1 . 11275 1 285 . 1 1 29 29 PHE CE2 C 13 130.693 0.300 . 1 . . . . 29 PHE CE2 . 11275 1 286 . 1 1 29 29 PHE CZ C 13 128.865 0.300 . 1 . . . . 29 PHE CZ . 11275 1 287 . 1 1 29 29 PHE N N 15 116.740 0.300 . 1 . . . . 29 PHE N . 11275 1 288 . 1 1 30 30 GLU H H 1 7.689 0.030 . 1 . . . . 30 GLU H . 11275 1 289 . 1 1 30 30 GLU HA H 1 4.748 0.030 . 1 . . . . 30 GLU HA . 11275 1 290 . 1 1 30 30 GLU HB2 H 1 1.914 0.030 . 1 . . . . 30 GLU HB2 . 11275 1 291 . 1 1 30 30 GLU HB3 H 1 1.914 0.030 . 1 . . . . 30 GLU HB3 . 11275 1 292 . 1 1 30 30 GLU HG2 H 1 2.507 0.030 . 2 . . . . 30 GLU HG2 . 11275 1 293 . 1 1 30 30 GLU HG3 H 1 2.602 0.030 . 2 . . . . 30 GLU HG3 . 11275 1 294 . 1 1 30 30 GLU C C 13 176.257 0.300 . 1 . . . . 30 GLU C . 11275 1 295 . 1 1 30 30 GLU CA C 13 56.218 0.300 . 1 . . . . 30 GLU CA . 11275 1 296 . 1 1 30 30 GLU CB C 13 30.162 0.300 . 1 . . . . 30 GLU CB . 11275 1 297 . 1 1 30 30 GLU CG C 13 37.780 0.300 . 1 . . . . 30 GLU CG . 11275 1 298 . 1 1 30 30 GLU N N 15 113.346 0.300 . 1 . . . . 30 GLU N . 11275 1 299 . 1 1 31 31 ASN H H 1 7.202 0.030 . 1 . . . . 31 ASN H . 11275 1 300 . 1 1 31 31 ASN HA H 1 4.623 0.030 . 1 . . . . 31 ASN HA . 11275 1 301 . 1 1 31 31 ASN HB2 H 1 2.739 0.030 . 2 . . . . 31 ASN HB2 . 11275 1 302 . 1 1 31 31 ASN HB3 H 1 3.189 0.030 . 2 . . . . 31 ASN HB3 . 11275 1 303 . 1 1 31 31 ASN HD21 H 1 6.990 0.030 . 2 . . . . 31 ASN HD21 . 11275 1 304 . 1 1 31 31 ASN HD22 H 1 7.784 0.030 . 2 . . . . 31 ASN HD22 . 11275 1 305 . 1 1 31 31 ASN C C 13 174.465 0.300 . 1 . . . . 31 ASN C . 11275 1 306 . 1 1 31 31 ASN CA C 13 52.102 0.300 . 1 . . . . 31 ASN CA . 11275 1 307 . 1 1 31 31 ASN CB C 13 38.427 0.300 . 1 . . . . 31 ASN CB . 11275 1 308 . 1 1 31 31 ASN N N 15 118.607 0.300 . 1 . . . . 31 ASN N . 11275 1 309 . 1 1 31 31 ASN ND2 N 15 112.559 0.300 . 1 . . . . 31 ASN ND2 . 11275 1 310 . 1 1 32 32 ARG H H 1 8.531 0.030 . 1 . . . . 32 ARG H . 11275 1 311 . 1 1 32 32 ARG HA H 1 3.860 0.030 . 1 . . . . 32 ARG HA . 11275 1 312 . 1 1 32 32 ARG HB2 H 1 1.921 0.030 . 2 . . . . 32 ARG HB2 . 11275 1 313 . 1 1 32 32 ARG HB3 H 1 1.664 0.030 . 2 . . . . 32 ARG HB3 . 11275 1 314 . 1 1 32 32 ARG HD2 H 1 3.132 0.030 . 1 . . . . 32 ARG HD2 . 11275 1 315 . 1 1 32 32 ARG HD3 H 1 3.132 0.030 . 1 . . . . 32 ARG HD3 . 11275 1 316 . 1 1 32 32 ARG HG2 H 1 1.481 0.030 . 2 . . . . 32 ARG HG2 . 11275 1 317 . 1 1 32 32 ARG HG3 H 1 1.632 0.030 . 2 . . . . 32 ARG HG3 . 11275 1 318 . 1 1 32 32 ARG C C 13 178.486 0.300 . 1 . . . . 32 ARG C . 11275 1 319 . 1 1 32 32 ARG CA C 13 58.822 0.300 . 1 . . . . 32 ARG CA . 11275 1 320 . 1 1 32 32 ARG CB C 13 30.121 0.300 . 1 . . . . 32 ARG CB . 11275 1 321 . 1 1 32 32 ARG CD C 13 43.279 0.300 . 1 . . . . 32 ARG CD . 11275 1 322 . 1 1 32 32 ARG CG C 13 26.847 0.300 . 1 . . . . 32 ARG CG . 11275 1 323 . 1 1 32 32 ARG N N 15 128.489 0.300 . 1 . . . . 32 ARG N . 11275 1 324 . 1 1 33 33 ARG H H 1 8.015 0.030 . 1 . . . . 33 ARG H . 11275 1 325 . 1 1 33 33 ARG HA H 1 4.034 0.030 . 1 . . . . 33 ARG HA . 11275 1 326 . 1 1 33 33 ARG HB2 H 1 1.909 0.030 . 1 . . . . 33 ARG HB2 . 11275 1 327 . 1 1 33 33 ARG HB3 H 1 1.909 0.030 . 1 . . . . 33 ARG HB3 . 11275 1 328 . 1 1 33 33 ARG HD2 H 1 3.205 0.030 . 2 . . . . 33 ARG HD2 . 11275 1 329 . 1 1 33 33 ARG HD3 H 1 3.244 0.030 . 2 . . . . 33 ARG HD3 . 11275 1 330 . 1 1 33 33 ARG HG2 H 1 1.632 0.030 . 2 . . . . 33 ARG HG2 . 11275 1 331 . 1 1 33 33 ARG HG3 H 1 1.696 0.030 . 2 . . . . 33 ARG HG3 . 11275 1 332 . 1 1 33 33 ARG C C 13 177.711 0.300 . 1 . . . . 33 ARG C . 11275 1 333 . 1 1 33 33 ARG CA C 13 58.611 0.300 . 1 . . . . 33 ARG CA . 11275 1 334 . 1 1 33 33 ARG CB C 13 30.039 0.300 . 1 . . . . 33 ARG CB . 11275 1 335 . 1 1 33 33 ARG CD C 13 43.279 0.300 . 1 . . . . 33 ARG CD . 11275 1 336 . 1 1 33 33 ARG CG C 13 27.572 0.300 . 1 . . . . 33 ARG CG . 11275 1 337 . 1 1 33 33 ARG N N 15 117.227 0.300 . 1 . . . . 33 ARG N . 11275 1 338 . 1 1 34 34 ARG H H 1 7.621 0.030 . 1 . . . . 34 ARG H . 11275 1 339 . 1 1 34 34 ARG HA H 1 4.323 0.030 . 1 . . . . 34 ARG HA . 11275 1 340 . 1 1 34 34 ARG HB2 H 1 1.526 0.030 . 2 . . . . 34 ARG HB2 . 11275 1 341 . 1 1 34 34 ARG HB3 H 1 2.071 0.030 . 2 . . . . 34 ARG HB3 . 11275 1 342 . 1 1 34 34 ARG HD2 H 1 3.134 0.030 . 2 . . . . 34 ARG HD2 . 11275 1 343 . 1 1 34 34 ARG HD3 H 1 3.359 0.030 . 2 . . . . 34 ARG HD3 . 11275 1 344 . 1 1 34 34 ARG HG2 H 1 1.648 0.030 . 2 . . . . 34 ARG HG2 . 11275 1 345 . 1 1 34 34 ARG HG3 H 1 1.746 0.030 . 2 . . . . 34 ARG HG3 . 11275 1 346 . 1 1 34 34 ARG C C 13 176.597 0.300 . 1 . . . . 34 ARG C . 11275 1 347 . 1 1 34 34 ARG CA C 13 57.907 0.300 . 1 . . . . 34 ARG CA . 11275 1 348 . 1 1 34 34 ARG CB C 13 32.177 0.300 . 1 . . . . 34 ARG CB . 11275 1 349 . 1 1 34 34 ARG CD C 13 44.183 0.300 . 1 . . . . 34 ARG CD . 11275 1 350 . 1 1 34 34 ARG CG C 13 27.243 0.300 . 1 . . . . 34 ARG CG . 11275 1 351 . 1 1 34 34 ARG N N 15 116.121 0.300 . 1 . . . . 34 ARG N . 11275 1 352 . 1 1 35 35 SER H H 1 7.986 0.030 . 1 . . . . 35 SER H . 11275 1 353 . 1 1 35 35 SER HA H 1 4.511 0.030 . 1 . . . . 35 SER HA . 11275 1 354 . 1 1 35 35 SER HB2 H 1 1.698 0.030 . 2 . . . . 35 SER HB2 . 11275 1 355 . 1 1 35 35 SER HB3 H 1 3.403 0.030 . 2 . . . . 35 SER HB3 . 11275 1 356 . 1 1 35 35 SER C C 13 173.665 0.300 . 1 . . . . 35 SER C . 11275 1 357 . 1 1 35 35 SER CA C 13 58.646 0.300 . 1 . . . . 35 SER CA . 11275 1 358 . 1 1 35 35 SER CB C 13 67.866 0.300 . 1 . . . . 35 SER CB . 11275 1 359 . 1 1 35 35 SER N N 15 110.552 0.300 . 1 . . . . 35 SER N . 11275 1 360 . 1 1 36 36 GLY H H 1 7.495 0.030 . 1 . . . . 36 GLY H . 11275 1 361 . 1 1 36 36 GLY HA2 H 1 3.740 0.030 . 2 . . . . 36 GLY HA2 . 11275 1 362 . 1 1 36 36 GLY HA3 H 1 4.152 0.030 . 2 . . . . 36 GLY HA3 . 11275 1 363 . 1 1 36 36 GLY C C 13 174.658 0.300 . 1 . . . . 36 GLY C . 11275 1 364 . 1 1 36 36 GLY CA C 13 45.316 0.300 . 1 . . . . 36 GLY CA . 11275 1 365 . 1 1 36 36 GLY N N 15 107.406 0.300 . 1 . . . . 36 GLY N . 11275 1 366 . 1 1 37 37 GLY H H 1 7.906 0.030 . 1 . . . . 37 GLY H . 11275 1 367 . 1 1 37 37 GLY HA2 H 1 3.683 0.030 . 2 . . . . 37 GLY HA2 . 11275 1 368 . 1 1 37 37 GLY HA3 H 1 4.164 0.030 . 2 . . . . 37 GLY HA3 . 11275 1 369 . 1 1 37 37 GLY C C 13 172.962 0.300 . 1 . . . . 37 GLY C . 11275 1 370 . 1 1 37 37 GLY CA C 13 44.783 0.300 . 1 . . . . 37 GLY CA . 11275 1 371 . 1 1 37 37 GLY N N 15 108.263 0.300 . 1 . . . . 37 GLY N . 11275 1 372 . 1 1 38 38 GLY H H 1 8.022 0.030 . 1 . . . . 38 GLY H . 11275 1 373 . 1 1 38 38 GLY HA2 H 1 4.223 0.030 . 2 . . . . 38 GLY HA2 . 11275 1 374 . 1 1 38 38 GLY HA3 H 1 3.861 0.030 . 2 . . . . 38 GLY HA3 . 11275 1 375 . 1 1 38 38 GLY C C 13 169.764 0.300 . 1 . . . . 38 GLY C . 11275 1 376 . 1 1 38 38 GLY CA C 13 45.065 0.300 . 1 . . . . 38 GLY CA . 11275 1 377 . 1 1 38 38 GLY N N 15 106.942 0.300 . 1 . . . . 38 GLY N . 11275 1 378 . 1 1 39 39 PRO HA H 1 4.266 0.030 . 1 . . . . 39 PRO HA . 11275 1 379 . 1 1 39 39 PRO HB2 H 1 1.823 0.030 . 2 . . . . 39 PRO HB2 . 11275 1 380 . 1 1 39 39 PRO HB3 H 1 2.360 0.030 . 2 . . . . 39 PRO HB3 . 11275 1 381 . 1 1 39 39 PRO HD2 H 1 3.606 0.030 . 2 . . . . 39 PRO HD2 . 11275 1 382 . 1 1 39 39 PRO HD3 H 1 3.699 0.030 . 2 . . . . 39 PRO HD3 . 11275 1 383 . 1 1 39 39 PRO HG2 H 1 2.020 0.030 . 2 . . . . 39 PRO HG2 . 11275 1 384 . 1 1 39 39 PRO HG3 H 1 2.208 0.030 . 2 . . . . 39 PRO HG3 . 11275 1 385 . 1 1 39 39 PRO C C 13 176.887 0.300 . 1 . . . . 39 PRO C . 11275 1 386 . 1 1 39 39 PRO CA C 13 64.557 0.300 . 1 . . . . 39 PRO CA . 11275 1 387 . 1 1 39 39 PRO CB C 13 32.530 0.300 . 1 . . . . 39 PRO CB . 11275 1 388 . 1 1 39 39 PRO CD C 13 48.850 0.300 . 1 . . . . 39 PRO CD . 11275 1 389 . 1 1 39 39 PRO CG C 13 27.736 0.300 . 1 . . . . 39 PRO CG . 11275 1 390 . 1 1 40 40 VAL H H 1 9.728 0.030 . 1 . . . . 40 VAL H . 11275 1 391 . 1 1 40 40 VAL HA H 1 3.939 0.030 . 1 . . . . 40 VAL HA . 11275 1 392 . 1 1 40 40 VAL HB H 1 1.973 0.030 . 1 . . . . 40 VAL HB . 11275 1 393 . 1 1 40 40 VAL HG11 H 1 0.554 0.030 . 1 . . . . 40 VAL HG1 . 11275 1 394 . 1 1 40 40 VAL HG12 H 1 0.554 0.030 . 1 . . . . 40 VAL HG1 . 11275 1 395 . 1 1 40 40 VAL HG13 H 1 0.554 0.030 . 1 . . . . 40 VAL HG1 . 11275 1 396 . 1 1 40 40 VAL HG21 H 1 0.742 0.030 . 1 . . . . 40 VAL HG2 . 11275 1 397 . 1 1 40 40 VAL HG22 H 1 0.742 0.030 . 1 . . . . 40 VAL HG2 . 11275 1 398 . 1 1 40 40 VAL HG23 H 1 0.742 0.030 . 1 . . . . 40 VAL HG2 . 11275 1 399 . 1 1 40 40 VAL C C 13 176.766 0.300 . 1 . . . . 40 VAL C . 11275 1 400 . 1 1 40 40 VAL CA C 13 62.517 0.300 . 1 . . . . 40 VAL CA . 11275 1 401 . 1 1 40 40 VAL CB C 13 33.986 0.300 . 1 . . . . 40 VAL CB . 11275 1 402 . 1 1 40 40 VAL CG1 C 13 21.874 0.300 . 2 . . . . 40 VAL CG1 . 11275 1 403 . 1 1 40 40 VAL CG2 C 13 22.819 0.300 . 2 . . . . 40 VAL CG2 . 11275 1 404 . 1 1 40 40 VAL N N 15 128.418 0.300 . 1 . . . . 40 VAL N . 11275 1 405 . 1 1 41 41 LEU H H 1 9.117 0.030 . 1 . . . . 41 LEU H . 11275 1 406 . 1 1 41 41 LEU HA H 1 4.241 0.030 . 1 . . . . 41 LEU HA . 11275 1 407 . 1 1 41 41 LEU HB2 H 1 1.197 0.030 . 2 . . . . 41 LEU HB2 . 11275 1 408 . 1 1 41 41 LEU HB3 H 1 1.441 0.030 . 2 . . . . 41 LEU HB3 . 11275 1 409 . 1 1 41 41 LEU HD11 H 1 0.868 0.030 . 1 . . . . 41 LEU HD1 . 11275 1 410 . 1 1 41 41 LEU HD12 H 1 0.868 0.030 . 1 . . . . 41 LEU HD1 . 11275 1 411 . 1 1 41 41 LEU HD13 H 1 0.868 0.030 . 1 . . . . 41 LEU HD1 . 11275 1 412 . 1 1 41 41 LEU HD21 H 1 0.869 0.030 . 1 . . . . 41 LEU HD2 . 11275 1 413 . 1 1 41 41 LEU HD22 H 1 0.869 0.030 . 1 . . . . 41 LEU HD2 . 11275 1 414 . 1 1 41 41 LEU HD23 H 1 0.869 0.030 . 1 . . . . 41 LEU HD2 . 11275 1 415 . 1 1 41 41 LEU HG H 1 1.396 0.030 . 1 . . . . 41 LEU HG . 11275 1 416 . 1 1 41 41 LEU C C 13 177.057 0.300 . 1 . . . . 41 LEU C . 11275 1 417 . 1 1 41 41 LEU CA C 13 56.430 0.300 . 1 . . . . 41 LEU CA . 11275 1 418 . 1 1 41 41 LEU CB C 13 43.707 0.300 . 1 . . . . 41 LEU CB . 11275 1 419 . 1 1 41 41 LEU CD1 C 13 24.612 0.300 . 2 . . . . 41 LEU CD1 . 11275 1 420 . 1 1 41 41 LEU CD2 C 13 24.612 0.300 . 2 . . . . 41 LEU CD2 . 11275 1 421 . 1 1 41 41 LEU CG C 13 27.079 0.300 . 1 . . . . 41 LEU CG . 11275 1 422 . 1 1 41 41 LEU N N 15 128.839 0.300 . 1 . . . . 41 LEU N . 11275 1 423 . 1 1 42 42 SER H H 1 7.579 0.030 . 1 . . . . 42 SER H . 11275 1 424 . 1 1 42 42 SER HA H 1 4.590 0.030 . 1 . . . . 42 SER HA . 11275 1 425 . 1 1 42 42 SER HB2 H 1 3.714 0.030 . 2 . . . . 42 SER HB2 . 11275 1 426 . 1 1 42 42 SER HB3 H 1 3.760 0.030 . 2 . . . . 42 SER HB3 . 11275 1 427 . 1 1 42 42 SER C C 13 170.976 0.300 . 1 . . . . 42 SER C . 11275 1 428 . 1 1 42 42 SER CA C 13 57.520 0.300 . 1 . . . . 42 SER CA . 11275 1 429 . 1 1 42 42 SER CB C 13 65.499 0.300 . 1 . . . . 42 SER CB . 11275 1 430 . 1 1 42 42 SER N N 15 109.558 0.300 . 1 . . . . 42 SER N . 11275 1 431 . 1 1 43 43 TRP H H 1 8.532 0.030 . 1 . . . . 43 TRP H . 11275 1 432 . 1 1 43 43 TRP HA H 1 5.428 0.030 . 1 . . . . 43 TRP HA . 11275 1 433 . 1 1 43 43 TRP HB2 H 1 2.908 0.030 . 2 . . . . 43 TRP HB2 . 11275 1 434 . 1 1 43 43 TRP HB3 H 1 2.850 0.030 . 2 . . . . 43 TRP HB3 . 11275 1 435 . 1 1 43 43 TRP HD1 H 1 6.974 0.030 . 1 . . . . 43 TRP HD1 . 11275 1 436 . 1 1 43 43 TRP HE1 H 1 10.117 0.030 . 1 . . . . 43 TRP HE1 . 11275 1 437 . 1 1 43 43 TRP HE3 H 1 7.140 0.030 . 1 . . . . 43 TRP HE3 . 11275 1 438 . 1 1 43 43 TRP HH2 H 1 6.451 0.030 . 1 . . . . 43 TRP HH2 . 11275 1 439 . 1 1 43 43 TRP HZ2 H 1 6.851 0.030 . 1 . . . . 43 TRP HZ2 . 11275 1 440 . 1 1 43 43 TRP HZ3 H 1 6.394 0.030 . 1 . . . . 43 TRP HZ3 . 11275 1 441 . 1 1 43 43 TRP C C 13 173.374 0.300 . 1 . . . . 43 TRP C . 11275 1 442 . 1 1 43 43 TRP CA C 13 55.233 0.300 . 1 . . . . 43 TRP CA . 11275 1 443 . 1 1 43 43 TRP CB C 13 32.999 0.300 . 1 . . . . 43 TRP CB . 11275 1 444 . 1 1 43 43 TRP CD1 C 13 128.288 0.300 . 1 . . . . 43 TRP CD1 . 11275 1 445 . 1 1 43 43 TRP CE3 C 13 121.936 0.300 . 1 . . . . 43 TRP CE3 . 11275 1 446 . 1 1 43 43 TRP CH2 C 13 121.890 0.300 . 1 . . . . 43 TRP CH2 . 11275 1 447 . 1 1 43 43 TRP CZ2 C 13 113.752 0.300 . 1 . . . . 43 TRP CZ2 . 11275 1 448 . 1 1 43 43 TRP CZ3 C 13 119.398 0.300 . 1 . . . . 43 TRP CZ3 . 11275 1 449 . 1 1 43 43 TRP N N 15 123.898 0.300 . 1 . . . . 43 TRP N . 11275 1 450 . 1 1 43 43 TRP NE1 N 15 128.575 0.300 . 1 . . . . 43 TRP NE1 . 11275 1 451 . 1 1 44 44 GLN H H 1 7.627 0.030 . 1 . . . . 44 GLN H . 11275 1 452 . 1 1 44 44 GLN HA H 1 4.061 0.030 . 1 . . . . 44 GLN HA . 11275 1 453 . 1 1 44 44 GLN HB2 H 1 1.571 0.030 . 2 . . . . 44 GLN HB2 . 11275 1 454 . 1 1 44 44 GLN HB3 H 1 1.721 0.030 . 2 . . . . 44 GLN HB3 . 11275 1 455 . 1 1 44 44 GLN HE21 H 1 7.437 0.030 . 2 . . . . 44 GLN HE21 . 11275 1 456 . 1 1 44 44 GLN HE22 H 1 6.737 0.030 . 2 . . . . 44 GLN HE22 . 11275 1 457 . 1 1 44 44 GLN HG2 H 1 1.947 0.030 . 2 . . . . 44 GLN HG2 . 11275 1 458 . 1 1 44 44 GLN HG3 H 1 1.999 0.030 . 2 . . . . 44 GLN HG3 . 11275 1 459 . 1 1 44 44 GLN C C 13 172.308 0.300 . 1 . . . . 44 GLN C . 11275 1 460 . 1 1 44 44 GLN CA C 13 53.157 0.300 . 1 . . . . 44 GLN CA . 11275 1 461 . 1 1 44 44 GLN CB C 13 30.944 0.300 . 1 . . . . 44 GLN CB . 11275 1 462 . 1 1 44 44 GLN CG C 13 33.240 0.300 . 1 . . . . 44 GLN CG . 11275 1 463 . 1 1 44 44 GLN N N 15 128.107 0.300 . 1 . . . . 44 GLN N . 11275 1 464 . 1 1 44 44 GLN NE2 N 15 111.956 0.300 . 1 . . . . 44 GLN NE2 . 11275 1 465 . 1 1 45 45 ARG H H 1 8.215 0.030 . 1 . . . . 45 ARG H . 11275 1 466 . 1 1 45 45 ARG HA H 1 3.644 0.030 . 1 . . . . 45 ARG HA . 11275 1 467 . 1 1 45 45 ARG HB2 H 1 1.500 0.030 . 2 . . . . 45 ARG HB2 . 11275 1 468 . 1 1 45 45 ARG HB3 H 1 1.736 0.030 . 2 . . . . 45 ARG HB3 . 11275 1 469 . 1 1 45 45 ARG HD2 H 1 3.463 0.030 . 2 . . . . 45 ARG HD2 . 11275 1 470 . 1 1 45 45 ARG HD3 H 1 3.559 0.030 . 2 . . . . 45 ARG HD3 . 11275 1 471 . 1 1 45 45 ARG HE H 1 7.204 0.030 . 1 . . . . 45 ARG HE . 11275 1 472 . 1 1 45 45 ARG HG2 H 1 1.725 0.030 . 2 . . . . 45 ARG HG2 . 11275 1 473 . 1 1 45 45 ARG HG3 H 1 1.794 0.030 . 2 . . . . 45 ARG HG3 . 11275 1 474 . 1 1 45 45 ARG C C 13 175.652 0.300 . 1 . . . . 45 ARG C . 11275 1 475 . 1 1 45 45 ARG CA C 13 56.359 0.300 . 1 . . . . 45 ARG CA . 11275 1 476 . 1 1 45 45 ARG CB C 13 31.684 0.300 . 1 . . . . 45 ARG CB . 11275 1 477 . 1 1 45 45 ARG CD C 13 44.048 0.300 . 1 . . . . 45 ARG CD . 11275 1 478 . 1 1 45 45 ARG CG C 13 28.504 0.300 . 1 . . . . 45 ARG CG . 11275 1 479 . 1 1 45 45 ARG N N 15 128.297 0.300 . 1 . . . . 45 ARG N . 11275 1 480 . 1 1 45 45 ARG NE N 15 83.679 0.300 . 1 . . . . 45 ARG NE . 11275 1 481 . 1 1 46 46 LEU H H 1 8.923 0.030 . 1 . . . . 46 LEU H . 11275 1 482 . 1 1 46 46 LEU HA H 1 4.469 0.030 . 1 . . . . 46 LEU HA . 11275 1 483 . 1 1 46 46 LEU HB2 H 1 1.356 0.030 . 2 . . . . 46 LEU HB2 . 11275 1 484 . 1 1 46 46 LEU HB3 H 1 1.434 0.030 . 2 . . . . 46 LEU HB3 . 11275 1 485 . 1 1 46 46 LEU HD11 H 1 0.774 0.030 . 1 . . . . 46 LEU HD1 . 11275 1 486 . 1 1 46 46 LEU HD12 H 1 0.774 0.030 . 1 . . . . 46 LEU HD1 . 11275 1 487 . 1 1 46 46 LEU HD13 H 1 0.774 0.030 . 1 . . . . 46 LEU HD1 . 11275 1 488 . 1 1 46 46 LEU HG H 1 1.302 0.030 . 1 . . . . 46 LEU HG . 11275 1 489 . 1 1 46 46 LEU C C 13 175.724 0.300 . 1 . . . . 46 LEU C . 11275 1 490 . 1 1 46 46 LEU CA C 13 54.494 0.300 . 1 . . . . 46 LEU CA . 11275 1 491 . 1 1 46 46 LEU CB C 13 43.896 0.300 . 1 . . . . 46 LEU CB . 11275 1 492 . 1 1 46 46 LEU CD1 C 13 24.479 0.300 . 2 . . . . 46 LEU CD1 . 11275 1 493 . 1 1 46 46 LEU CD2 C 13 24.694 0.300 . 2 . . . . 46 LEU CD2 . 11275 1 494 . 1 1 46 46 LEU CG C 13 26.804 0.300 . 1 . . . . 46 LEU CG . 11275 1 495 . 1 1 46 46 LEU N N 15 130.899 0.300 . 1 . . . . 46 LEU N . 11275 1 496 . 1 1 47 47 GLY H H 1 8.848 0.030 . 1 . . . . 47 GLY H . 11275 1 497 . 1 1 47 47 GLY HA2 H 1 3.763 0.030 . 2 . . . . 47 GLY HA2 . 11275 1 498 . 1 1 47 47 GLY HA3 H 1 3.981 0.030 . 2 . . . . 47 GLY HA3 . 11275 1 499 . 1 1 47 47 GLY C C 13 176.209 0.300 . 1 . . . . 47 GLY C . 11275 1 500 . 1 1 47 47 GLY CA C 13 46.737 0.300 . 1 . . . . 47 GLY CA . 11275 1 501 . 1 1 47 47 GLY N N 15 114.507 0.300 . 1 . . . . 47 GLY N . 11275 1 502 . 1 1 48 48 CYS HA H 1 4.856 0.030 . 1 . . . . 48 CYS HA . 11275 1 503 . 1 1 48 48 CYS HB2 H 1 2.946 0.030 . 2 . . . . 48 CYS HB2 . 11275 1 504 . 1 1 48 48 CYS HB3 H 1 3.118 0.030 . 2 . . . . 48 CYS HB3 . 11275 1 505 . 1 1 48 48 CYS C C 13 174.610 0.300 . 1 . . . . 48 CYS C . 11275 1 506 . 1 1 48 48 CYS CA C 13 58.646 0.300 . 1 . . . . 48 CYS CA . 11275 1 507 . 1 1 48 48 CYS CB C 13 26.279 0.300 . 1 . . . . 48 CYS CB . 11275 1 508 . 1 1 49 49 GLY H H 1 7.635 0.030 . 1 . . . . 49 GLY H . 11275 1 509 . 1 1 49 49 GLY HA2 H 1 3.822 0.030 . 2 . . . . 49 GLY HA2 . 11275 1 510 . 1 1 49 49 GLY HA3 H 1 4.714 0.030 . 2 . . . . 49 GLY HA3 . 11275 1 511 . 1 1 49 49 GLY C C 13 171.412 0.300 . 1 . . . . 49 GLY C . 11275 1 512 . 1 1 49 49 GLY CA C 13 46.191 0.300 . 1 . . . . 49 GLY CA . 11275 1 513 . 1 1 49 49 GLY N N 15 108.506 0.300 . 1 . . . . 49 GLY N . 11275 1 514 . 1 1 50 50 GLY H H 1 8.722 0.030 . 1 . . . . 50 GLY H . 11275 1 515 . 1 1 50 50 GLY HA2 H 1 3.802 0.030 . 2 . . . . 50 GLY HA2 . 11275 1 516 . 1 1 50 50 GLY HA3 H 1 4.228 0.030 . 2 . . . . 50 GLY HA3 . 11275 1 517 . 1 1 50 50 GLY C C 13 171.533 0.300 . 1 . . . . 50 GLY C . 11275 1 518 . 1 1 50 50 GLY CA C 13 46.648 0.300 . 1 . . . . 50 GLY CA . 11275 1 519 . 1 1 50 50 GLY N N 15 108.583 0.300 . 1 . . . . 50 GLY N . 11275 1 520 . 1 1 51 51 VAL H H 1 8.009 0.030 . 1 . . . . 51 VAL H . 11275 1 521 . 1 1 51 51 VAL HA H 1 4.794 0.030 . 1 . . . . 51 VAL HA . 11275 1 522 . 1 1 51 51 VAL HB H 1 1.720 0.030 . 1 . . . . 51 VAL HB . 11275 1 523 . 1 1 51 51 VAL HG11 H 1 0.692 0.030 . 1 . . . . 51 VAL HG1 . 11275 1 524 . 1 1 51 51 VAL HG12 H 1 0.692 0.030 . 1 . . . . 51 VAL HG1 . 11275 1 525 . 1 1 51 51 VAL HG13 H 1 0.692 0.030 . 1 . . . . 51 VAL HG1 . 11275 1 526 . 1 1 51 51 VAL HG21 H 1 0.810 0.030 . 1 . . . . 51 VAL HG2 . 11275 1 527 . 1 1 51 51 VAL HG22 H 1 0.810 0.030 . 1 . . . . 51 VAL HG2 . 11275 1 528 . 1 1 51 51 VAL HG23 H 1 0.810 0.030 . 1 . . . . 51 VAL HG2 . 11275 1 529 . 1 1 51 51 VAL C C 13 175.143 0.300 . 1 . . . . 51 VAL C . 11275 1 530 . 1 1 51 51 VAL CA C 13 61.813 0.300 . 1 . . . . 51 VAL CA . 11275 1 531 . 1 1 51 51 VAL CB C 13 34.424 0.300 . 1 . . . . 51 VAL CB . 11275 1 532 . 1 1 51 51 VAL CG1 C 13 21.358 0.300 . 2 . . . . 51 VAL CG1 . 11275 1 533 . 1 1 51 51 VAL CG2 C 13 21.431 0.300 . 2 . . . . 51 VAL CG2 . 11275 1 534 . 1 1 51 51 VAL N N 15 118.990 0.300 . 1 . . . . 51 VAL N . 11275 1 535 . 1 1 52 52 LEU H H 1 9.645 0.030 . 1 . . . . 52 LEU H . 11275 1 536 . 1 1 52 52 LEU HA H 1 5.003 0.030 . 1 . . . . 52 LEU HA . 11275 1 537 . 1 1 52 52 LEU HB2 H 1 1.385 0.030 . 2 . . . . 52 LEU HB2 . 11275 1 538 . 1 1 52 52 LEU HB3 H 1 1.430 0.030 . 2 . . . . 52 LEU HB3 . 11275 1 539 . 1 1 52 52 LEU HD11 H 1 0.236 0.030 . 1 . . . . 52 LEU HD1 . 11275 1 540 . 1 1 52 52 LEU HD12 H 1 0.236 0.030 . 1 . . . . 52 LEU HD1 . 11275 1 541 . 1 1 52 52 LEU HD13 H 1 0.236 0.030 . 1 . . . . 52 LEU HD1 . 11275 1 542 . 1 1 52 52 LEU HD21 H 1 -0.025 0.030 . 1 . . . . 52 LEU HD2 . 11275 1 543 . 1 1 52 52 LEU HD22 H 1 -0.025 0.030 . 1 . . . . 52 LEU HD2 . 11275 1 544 . 1 1 52 52 LEU HD23 H 1 -0.025 0.030 . 1 . . . . 52 LEU HD2 . 11275 1 545 . 1 1 52 52 LEU HG H 1 0.939 0.030 . 1 . . . . 52 LEU HG . 11275 1 546 . 1 1 52 52 LEU C C 13 174.610 0.300 . 1 . . . . 52 LEU C . 11275 1 547 . 1 1 52 52 LEU CA C 13 53.474 0.300 . 1 . . . . 52 LEU CA . 11275 1 548 . 1 1 52 52 LEU CB C 13 45.992 0.300 . 1 . . . . 52 LEU CB . 11275 1 549 . 1 1 52 52 LEU CD1 C 13 24.469 0.300 . 2 . . . . 52 LEU CD1 . 11275 1 550 . 1 1 52 52 LEU CD2 C 13 26.153 0.300 . 2 . . . . 52 LEU CD2 . 11275 1 551 . 1 1 52 52 LEU CG C 13 25.900 0.300 . 1 . . . . 52 LEU CG . 11275 1 552 . 1 1 52 52 LEU N N 15 135.407 0.300 . 1 . . . . 52 LEU N . 11275 1 553 . 1 1 53 53 THR H H 1 8.944 0.030 . 1 . . . . 53 THR H . 11275 1 554 . 1 1 53 53 THR HA H 1 4.894 0.030 . 1 . . . . 53 THR HA . 11275 1 555 . 1 1 53 53 THR HB H 1 4.039 0.030 . 1 . . . . 53 THR HB . 11275 1 556 . 1 1 53 53 THR HG21 H 1 1.062 0.030 . 1 . . . . 53 THR HG2 . 11275 1 557 . 1 1 53 53 THR HG22 H 1 1.062 0.030 . 1 . . . . 53 THR HG2 . 11275 1 558 . 1 1 53 53 THR HG23 H 1 1.062 0.030 . 1 . . . . 53 THR HG2 . 11275 1 559 . 1 1 53 53 THR C C 13 174.513 0.300 . 1 . . . . 53 THR C . 11275 1 560 . 1 1 53 53 THR CA C 13 61.954 0.300 . 1 . . . . 53 THR CA . 11275 1 561 . 1 1 53 53 THR CB C 13 69.182 0.300 . 1 . . . . 53 THR CB . 11275 1 562 . 1 1 53 53 THR CG2 C 13 21.531 0.300 . 1 . . . . 53 THR CG2 . 11275 1 563 . 1 1 53 53 THR N N 15 120.330 0.300 . 1 . . . . 53 THR N . 11275 1 564 . 1 1 54 54 PHE H H 1 9.121 0.030 . 1 . . . . 54 PHE H . 11275 1 565 . 1 1 54 54 PHE HA H 1 4.565 0.030 . 1 . . . . 54 PHE HA . 11275 1 566 . 1 1 54 54 PHE HB2 H 1 2.649 0.030 . 2 . . . . 54 PHE HB2 . 11275 1 567 . 1 1 54 54 PHE HB3 H 1 3.731 0.030 . 2 . . . . 54 PHE HB3 . 11275 1 568 . 1 1 54 54 PHE HD1 H 1 7.191 0.030 . 1 . . . . 54 PHE HD1 . 11275 1 569 . 1 1 54 54 PHE HD2 H 1 7.191 0.030 . 1 . . . . 54 PHE HD2 . 11275 1 570 . 1 1 54 54 PHE HE1 H 1 7.149 0.030 . 1 . . . . 54 PHE HE1 . 11275 1 571 . 1 1 54 54 PHE HE2 H 1 7.149 0.030 . 1 . . . . 54 PHE HE2 . 11275 1 572 . 1 1 54 54 PHE HZ H 1 6.947 0.030 . 1 . . . . 54 PHE HZ . 11275 1 573 . 1 1 54 54 PHE C C 13 174.876 0.300 . 1 . . . . 54 PHE C . 11275 1 574 . 1 1 54 54 PHE CA C 13 59.385 0.300 . 1 . . . . 54 PHE CA . 11275 1 575 . 1 1 54 54 PHE CB C 13 40.107 0.300 . 1 . . . . 54 PHE CB . 11275 1 576 . 1 1 54 54 PHE CD1 C 13 131.759 0.300 . 1 . . . . 54 PHE CD1 . 11275 1 577 . 1 1 54 54 PHE CD2 C 13 131.759 0.300 . 1 . . . . 54 PHE CD2 . 11275 1 578 . 1 1 54 54 PHE CE1 C 13 130.854 0.300 . 1 . . . . 54 PHE CE1 . 11275 1 579 . 1 1 54 54 PHE CE2 C 13 130.854 0.300 . 1 . . . . 54 PHE CE2 . 11275 1 580 . 1 1 54 54 PHE CZ C 13 129.483 0.300 . 1 . . . . 54 PHE CZ . 11275 1 581 . 1 1 54 54 PHE N N 15 127.544 0.300 . 1 . . . . 54 PHE N . 11275 1 582 . 1 1 55 55 ARG H H 1 8.073 0.030 . 1 . . . . 55 ARG H . 11275 1 583 . 1 1 55 55 ARG HA H 1 4.005 0.030 . 1 . . . . 55 ARG HA . 11275 1 584 . 1 1 55 55 ARG HB2 H 1 1.731 0.030 . 2 . . . . 55 ARG HB2 . 11275 1 585 . 1 1 55 55 ARG HB3 H 1 2.025 0.030 . 2 . . . . 55 ARG HB3 . 11275 1 586 . 1 1 55 55 ARG HD2 H 1 3.229 0.030 . 1 . . . . 55 ARG HD2 . 11275 1 587 . 1 1 55 55 ARG HD3 H 1 3.229 0.030 . 1 . . . . 55 ARG HD3 . 11275 1 588 . 1 1 55 55 ARG HG2 H 1 1.614 0.030 . 1 . . . . 55 ARG HG2 . 11275 1 589 . 1 1 55 55 ARG HG3 H 1 1.614 0.030 . 1 . . . . 55 ARG HG3 . 11275 1 590 . 1 1 55 55 ARG C C 13 176.451 0.300 . 1 . . . . 55 ARG C . 11275 1 591 . 1 1 55 55 ARG CA C 13 59.772 0.300 . 1 . . . . 55 ARG CA . 11275 1 592 . 1 1 55 55 ARG CB C 13 31.583 0.300 . 1 . . . . 55 ARG CB . 11275 1 593 . 1 1 55 55 ARG CD C 13 43.690 0.300 . 1 . . . . 55 ARG CD . 11275 1 594 . 1 1 55 55 ARG CG C 13 28.641 0.300 . 1 . . . . 55 ARG CG . 11275 1 595 . 1 1 55 55 ARG N N 15 119.604 0.300 . 1 . . . . 55 ARG N . 11275 1 596 . 1 1 56 56 GLU H H 1 9.674 0.030 . 1 . . . . 56 GLU H . 11275 1 597 . 1 1 56 56 GLU HA H 1 5.069 0.030 . 1 . . . . 56 GLU HA . 11275 1 598 . 1 1 56 56 GLU HB2 H 1 1.966 0.030 . 2 . . . . 56 GLU HB2 . 11275 1 599 . 1 1 56 56 GLU HB3 H 1 2.094 0.030 . 2 . . . . 56 GLU HB3 . 11275 1 600 . 1 1 56 56 GLU HG2 H 1 2.242 0.030 . 2 . . . . 56 GLU HG2 . 11275 1 601 . 1 1 56 56 GLU HG3 H 1 2.373 0.030 . 2 . . . . 56 GLU HG3 . 11275 1 602 . 1 1 56 56 GLU C C 13 176.136 0.300 . 1 . . . . 56 GLU C . 11275 1 603 . 1 1 56 56 GLU CA C 13 51.935 0.300 . 1 . . . . 56 GLU CA . 11275 1 604 . 1 1 56 56 GLU CB C 13 30.162 0.300 . 1 . . . . 56 GLU CB . 11275 1 605 . 1 1 56 56 GLU CG C 13 35.122 0.300 . 1 . . . . 56 GLU CG . 11275 1 606 . 1 1 56 56 GLU N N 15 117.134 0.300 . 1 . . . . 56 GLU N . 11275 1 607 . 1 1 57 57 PRO HA H 1 4.134 0.030 . 1 . . . . 57 PRO HA . 11275 1 608 . 1 1 57 57 PRO HB2 H 1 1.995 0.030 . 2 . . . . 57 PRO HB2 . 11275 1 609 . 1 1 57 57 PRO HB3 H 1 2.308 0.030 . 2 . . . . 57 PRO HB3 . 11275 1 610 . 1 1 57 57 PRO HD2 H 1 3.902 0.030 . 2 . . . . 57 PRO HD2 . 11275 1 611 . 1 1 57 57 PRO HD3 H 1 4.059 0.030 . 2 . . . . 57 PRO HD3 . 11275 1 612 . 1 1 57 57 PRO HG2 H 1 2.173 0.030 . 2 . . . . 57 PRO HG2 . 11275 1 613 . 1 1 57 57 PRO HG3 H 1 1.956 0.030 . 2 . . . . 57 PRO HG3 . 11275 1 614 . 1 1 57 57 PRO C C 13 178.414 0.300 . 1 . . . . 57 PRO C . 11275 1 615 . 1 1 57 57 PRO CA C 13 65.223 0.300 . 1 . . . . 57 PRO CA . 11275 1 616 . 1 1 57 57 PRO CB C 13 32.056 0.300 . 1 . . . . 57 PRO CB . 11275 1 617 . 1 1 57 57 PRO CD C 13 51.420 0.300 . 1 . . . . 57 PRO CD . 11275 1 618 . 1 1 57 57 PRO CG C 13 27.320 0.300 . 1 . . . . 57 PRO CG . 11275 1 619 . 1 1 58 58 ALA H H 1 8.694 0.030 . 1 . . . . 58 ALA H . 11275 1 620 . 1 1 58 58 ALA HA H 1 4.048 0.030 . 1 . . . . 58 ALA HA . 11275 1 621 . 1 1 58 58 ALA HB1 H 1 1.361 0.030 . 1 . . . . 58 ALA HB . 11275 1 622 . 1 1 58 58 ALA HB2 H 1 1.361 0.030 . 1 . . . . 58 ALA HB . 11275 1 623 . 1 1 58 58 ALA HB3 H 1 1.361 0.030 . 1 . . . . 58 ALA HB . 11275 1 624 . 1 1 58 58 ALA C C 13 180.279 0.300 . 1 . . . . 58 ALA C . 11275 1 625 . 1 1 58 58 ALA CA C 13 54.917 0.300 . 1 . . . . 58 ALA CA . 11275 1 626 . 1 1 58 58 ALA CB C 13 18.631 0.300 . 1 . . . . 58 ALA CB . 11275 1 627 . 1 1 58 58 ALA N N 15 117.453 0.300 . 1 . . . . 58 ALA N . 11275 1 628 . 1 1 59 59 ASP H H 1 7.133 0.030 . 1 . . . . 59 ASP H . 11275 1 629 . 1 1 59 59 ASP HA H 1 4.380 0.030 . 1 . . . . 59 ASP HA . 11275 1 630 . 1 1 59 59 ASP HB2 H 1 1.923 0.030 . 2 . . . . 59 ASP HB2 . 11275 1 631 . 1 1 59 59 ASP HB3 H 1 2.768 0.030 . 2 . . . . 59 ASP HB3 . 11275 1 632 . 1 1 59 59 ASP C C 13 176.064 0.300 . 1 . . . . 59 ASP C . 11275 1 633 . 1 1 59 59 ASP CA C 13 56.606 0.300 . 1 . . . . 59 ASP CA . 11275 1 634 . 1 1 59 59 ASP CB C 13 39.085 0.300 . 1 . . . . 59 ASP CB . 11275 1 635 . 1 1 59 59 ASP N N 15 117.414 0.300 . 1 . . . . 59 ASP N . 11275 1 636 . 1 1 60 60 ALA H H 1 6.571 0.030 . 1 . . . . 60 ALA H . 11275 1 637 . 1 1 60 60 ALA HA H 1 3.094 0.030 . 1 . . . . 60 ALA HA . 11275 1 638 . 1 1 60 60 ALA HB1 H 1 1.288 0.030 . 1 . . . . 60 ALA HB . 11275 1 639 . 1 1 60 60 ALA HB2 H 1 1.288 0.030 . 1 . . . . 60 ALA HB . 11275 1 640 . 1 1 60 60 ALA HB3 H 1 1.288 0.030 . 1 . . . . 60 ALA HB . 11275 1 641 . 1 1 60 60 ALA C C 13 178.608 0.300 . 1 . . . . 60 ALA C . 11275 1 642 . 1 1 60 60 ALA CA C 13 54.881 0.300 . 1 . . . . 60 ALA CA . 11275 1 643 . 1 1 60 60 ALA CB C 13 18.313 0.300 . 1 . . . . 60 ALA CB . 11275 1 644 . 1 1 60 60 ALA N N 15 120.460 0.300 . 1 . . . . 60 ALA N . 11275 1 645 . 1 1 61 61 GLU H H 1 7.888 0.030 . 1 . . . . 61 GLU H . 11275 1 646 . 1 1 61 61 GLU HA H 1 3.752 0.030 . 1 . . . . 61 GLU HA . 11275 1 647 . 1 1 61 61 GLU HB2 H 1 1.944 0.030 . 1 . . . . 61 GLU HB2 . 11275 1 648 . 1 1 61 61 GLU HB3 H 1 1.944 0.030 . 1 . . . . 61 GLU HB3 . 11275 1 649 . 1 1 61 61 GLU HG2 H 1 2.319 0.030 . 2 . . . . 61 GLU HG2 . 11275 1 650 . 1 1 61 61 GLU HG3 H 1 2.156 0.030 . 2 . . . . 61 GLU HG3 . 11275 1 651 . 1 1 61 61 GLU C C 13 178.729 0.300 . 1 . . . . 61 GLU C . 11275 1 652 . 1 1 61 61 GLU CA C 13 59.139 0.300 . 1 . . . . 61 GLU CA . 11275 1 653 . 1 1 61 61 GLU CB C 13 29.813 0.300 . 1 . . . . 61 GLU CB . 11275 1 654 . 1 1 61 61 GLU CG C 13 36.289 0.300 . 1 . . . . 61 GLU CG . 11275 1 655 . 1 1 61 61 GLU N N 15 114.143 0.300 . 1 . . . . 61 GLU N . 11275 1 656 . 1 1 62 62 ARG H H 1 7.484 0.030 . 1 . . . . 62 ARG H . 11275 1 657 . 1 1 62 62 ARG HA H 1 3.910 0.030 . 1 . . . . 62 ARG HA . 11275 1 658 . 1 1 62 62 ARG HB2 H 1 1.931 0.030 . 2 . . . . 62 ARG HB2 . 11275 1 659 . 1 1 62 62 ARG HB3 H 1 2.297 0.030 . 2 . . . . 62 ARG HB3 . 11275 1 660 . 1 1 62 62 ARG HD2 H 1 3.337 0.030 . 2 . . . . 62 ARG HD2 . 11275 1 661 . 1 1 62 62 ARG HD3 H 1 3.530 0.030 . 2 . . . . 62 ARG HD3 . 11275 1 662 . 1 1 62 62 ARG HE H 1 7.109 0.030 . 1 . . . . 62 ARG HE . 11275 1 663 . 1 1 62 62 ARG HG2 H 1 1.656 0.030 . 2 . . . . 62 ARG HG2 . 11275 1 664 . 1 1 62 62 ARG HG3 H 1 1.764 0.030 . 2 . . . . 62 ARG HG3 . 11275 1 665 . 1 1 62 62 ARG C C 13 180.013 0.300 . 1 . . . . 62 ARG C . 11275 1 666 . 1 1 62 62 ARG CA C 13 60.124 0.300 . 1 . . . . 62 ARG CA . 11275 1 667 . 1 1 62 62 ARG CB C 13 29.212 0.300 . 1 . . . . 62 ARG CB . 11275 1 668 . 1 1 62 62 ARG CD C 13 42.210 0.300 . 1 . . . . 62 ARG CD . 11275 1 669 . 1 1 62 62 ARG CG C 13 29.688 0.300 . 1 . . . . 62 ARG CG . 11275 1 670 . 1 1 62 62 ARG N N 15 121.990 0.300 . 1 . . . . 62 ARG N . 11275 1 671 . 1 1 62 62 ARG NE N 15 82.474 0.300 . 1 . . . . 62 ARG NE . 11275 1 672 . 1 1 63 63 VAL H H 1 7.751 0.030 . 1 . . . . 63 VAL H . 11275 1 673 . 1 1 63 63 VAL HA H 1 4.204 0.030 . 1 . . . . 63 VAL HA . 11275 1 674 . 1 1 63 63 VAL HB H 1 1.945 0.030 . 1 . . . . 63 VAL HB . 11275 1 675 . 1 1 63 63 VAL HG11 H 1 0.901 0.030 . 1 . . . . 63 VAL HG1 . 11275 1 676 . 1 1 63 63 VAL HG12 H 1 0.901 0.030 . 1 . . . . 63 VAL HG1 . 11275 1 677 . 1 1 63 63 VAL HG13 H 1 0.901 0.030 . 1 . . . . 63 VAL HG1 . 11275 1 678 . 1 1 63 63 VAL HG21 H 1 0.868 0.030 . 1 . . . . 63 VAL HG2 . 11275 1 679 . 1 1 63 63 VAL HG22 H 1 0.868 0.030 . 1 . . . . 63 VAL HG2 . 11275 1 680 . 1 1 63 63 VAL HG23 H 1 0.868 0.030 . 1 . . . . 63 VAL HG2 . 11275 1 681 . 1 1 63 63 VAL C C 13 179.649 0.300 . 1 . . . . 63 VAL C . 11275 1 682 . 1 1 63 63 VAL CA C 13 65.648 0.300 . 1 . . . . 63 VAL CA . 11275 1 683 . 1 1 63 63 VAL CB C 13 31.601 0.300 . 1 . . . . 63 VAL CB . 11275 1 684 . 1 1 63 63 VAL CG1 C 13 22.638 0.300 . 2 . . . . 63 VAL CG1 . 11275 1 685 . 1 1 63 63 VAL CG2 C 13 22.821 0.300 . 2 . . . . 63 VAL CG2 . 11275 1 686 . 1 1 63 63 VAL N N 15 119.057 0.300 . 1 . . . . 63 VAL N . 11275 1 687 . 1 1 64 64 LEU H H 1 7.855 0.030 . 1 . . . . 64 LEU H . 11275 1 688 . 1 1 64 64 LEU HA H 1 4.061 0.030 . 1 . . . . 64 LEU HA . 11275 1 689 . 1 1 64 64 LEU HB2 H 1 1.429 0.030 . 2 . . . . 64 LEU HB2 . 11275 1 690 . 1 1 64 64 LEU HB3 H 1 1.878 0.030 . 2 . . . . 64 LEU HB3 . 11275 1 691 . 1 1 64 64 LEU HD11 H 1 0.771 0.030 . 1 . . . . 64 LEU HD1 . 11275 1 692 . 1 1 64 64 LEU HD12 H 1 0.771 0.030 . 1 . . . . 64 LEU HD1 . 11275 1 693 . 1 1 64 64 LEU HD13 H 1 0.771 0.030 . 1 . . . . 64 LEU HD1 . 11275 1 694 . 1 1 64 64 LEU HD21 H 1 0.743 0.030 . 1 . . . . 64 LEU HD2 . 11275 1 695 . 1 1 64 64 LEU HD22 H 1 0.743 0.030 . 1 . . . . 64 LEU HD2 . 11275 1 696 . 1 1 64 64 LEU HD23 H 1 0.743 0.030 . 1 . . . . 64 LEU HD2 . 11275 1 697 . 1 1 64 64 LEU HG H 1 1.675 0.030 . 1 . . . . 64 LEU HG . 11275 1 698 . 1 1 64 64 LEU C C 13 178.365 0.300 . 1 . . . . 64 LEU C . 11275 1 699 . 1 1 64 64 LEU CA C 13 57.274 0.300 . 1 . . . . 64 LEU CA . 11275 1 700 . 1 1 64 64 LEU CB C 13 41.798 0.300 . 1 . . . . 64 LEU CB . 11275 1 701 . 1 1 64 64 LEU CD1 C 13 25.900 0.300 . 2 . . . . 64 LEU CD1 . 11275 1 702 . 1 1 64 64 LEU CD2 C 13 23.316 0.300 . 2 . . . . 64 LEU CD2 . 11275 1 703 . 1 1 64 64 LEU CG C 13 27.084 0.300 . 1 . . . . 64 LEU CG . 11275 1 704 . 1 1 64 64 LEU N N 15 119.106 0.300 . 1 . . . . 64 LEU N . 11275 1 705 . 1 1 65 65 ALA H H 1 7.602 0.030 . 1 . . . . 65 ALA H . 11275 1 706 . 1 1 65 65 ALA HA H 1 4.221 0.030 . 1 . . . . 65 ALA HA . 11275 1 707 . 1 1 65 65 ALA HB1 H 1 1.483 0.030 . 1 . . . . 65 ALA HB . 11275 1 708 . 1 1 65 65 ALA HB2 H 1 1.483 0.030 . 1 . . . . 65 ALA HB . 11275 1 709 . 1 1 65 65 ALA HB3 H 1 1.483 0.030 . 1 . . . . 65 ALA HB . 11275 1 710 . 1 1 65 65 ALA C C 13 177.663 0.300 . 1 . . . . 65 ALA C . 11275 1 711 . 1 1 65 65 ALA CA C 13 52.876 0.300 . 1 . . . . 65 ALA CA . 11275 1 712 . 1 1 65 65 ALA CB C 13 18.688 0.300 . 1 . . . . 65 ALA CB . 11275 1 713 . 1 1 65 65 ALA N N 15 120.029 0.300 . 1 . . . . 65 ALA N . 11275 1 714 . 1 1 66 66 GLN H H 1 7.423 0.030 . 1 . . . . 66 GLN H . 11275 1 715 . 1 1 66 66 GLN HA H 1 4.239 0.030 . 1 . . . . 66 GLN HA . 11275 1 716 . 1 1 66 66 GLN HB2 H 1 2.055 0.030 . 2 . . . . 66 GLN HB2 . 11275 1 717 . 1 1 66 66 GLN HB3 H 1 2.005 0.030 . 2 . . . . 66 GLN HB3 . 11275 1 718 . 1 1 66 66 GLN HE21 H 1 6.974 0.030 . 2 . . . . 66 GLN HE21 . 11275 1 719 . 1 1 66 66 GLN HE22 H 1 7.152 0.030 . 2 . . . . 66 GLN HE22 . 11275 1 720 . 1 1 66 66 GLN HG2 H 1 2.101 0.030 . 2 . . . . 66 GLN HG2 . 11275 1 721 . 1 1 66 66 GLN HG3 H 1 1.818 0.030 . 2 . . . . 66 GLN HG3 . 11275 1 722 . 1 1 66 66 GLN C C 13 174.998 0.300 . 1 . . . . 66 GLN C . 11275 1 723 . 1 1 66 66 GLN CA C 13 56.148 0.300 . 1 . . . . 66 GLN CA . 11275 1 724 . 1 1 66 66 GLN CB C 13 28.477 0.300 . 1 . . . . 66 GLN CB . 11275 1 725 . 1 1 66 66 GLN CG C 13 33.657 0.300 . 1 . . . . 66 GLN CG . 11275 1 726 . 1 1 66 66 GLN N N 15 121.529 0.300 . 1 . . . . 66 GLN N . 11275 1 727 . 1 1 66 66 GLN NE2 N 15 111.940 0.300 . 1 . . . . 66 GLN NE2 . 11275 1 728 . 1 1 67 67 ALA H H 1 8.271 0.030 . 1 . . . . 67 ALA H . 11275 1 729 . 1 1 67 67 ALA HA H 1 4.172 0.030 . 1 . . . . 67 ALA HA . 11275 1 730 . 1 1 67 67 ALA HB1 H 1 1.432 0.030 . 1 . . . . 67 ALA HB . 11275 1 731 . 1 1 67 67 ALA HB2 H 1 1.432 0.030 . 1 . . . . 67 ALA HB . 11275 1 732 . 1 1 67 67 ALA HB3 H 1 1.432 0.030 . 1 . . . . 67 ALA HB . 11275 1 733 . 1 1 67 67 ALA C C 13 177.638 0.300 . 1 . . . . 67 ALA C . 11275 1 734 . 1 1 67 67 ALA CA C 13 54.635 0.300 . 1 . . . . 67 ALA CA . 11275 1 735 . 1 1 67 67 ALA CB C 13 19.270 0.300 . 1 . . . . 67 ALA CB . 11275 1 736 . 1 1 67 67 ALA N N 15 127.116 0.300 . 1 . . . . 67 ALA N . 11275 1 737 . 1 1 68 68 ASP H H 1 7.859 0.030 . 1 . . . . 68 ASP H . 11275 1 738 . 1 1 68 68 ASP HA H 1 4.852 0.030 . 1 . . . . 68 ASP HA . 11275 1 739 . 1 1 68 68 ASP HB2 H 1 2.480 0.030 . 2 . . . . 68 ASP HB2 . 11275 1 740 . 1 1 68 68 ASP HB3 H 1 2.583 0.030 . 2 . . . . 68 ASP HB3 . 11275 1 741 . 1 1 68 68 ASP C C 13 174.440 0.300 . 1 . . . . 68 ASP C . 11275 1 742 . 1 1 68 68 ASP CA C 13 53.544 0.300 . 1 . . . . 68 ASP CA . 11275 1 743 . 1 1 68 68 ASP CB C 13 41.963 0.300 . 1 . . . . 68 ASP CB . 11275 1 744 . 1 1 68 68 ASP N N 15 116.137 0.300 . 1 . . . . 68 ASP N . 11275 1 745 . 1 1 69 69 HIS H H 1 8.804 0.030 . 1 . . . . 69 HIS H . 11275 1 746 . 1 1 69 69 HIS HA H 1 4.764 0.030 . 1 . . . . 69 HIS HA . 11275 1 747 . 1 1 69 69 HIS HB2 H 1 2.779 0.030 . 2 . . . . 69 HIS HB2 . 11275 1 748 . 1 1 69 69 HIS HB3 H 1 3.031 0.030 . 2 . . . . 69 HIS HB3 . 11275 1 749 . 1 1 69 69 HIS HD2 H 1 7.140 0.030 . 1 . . . . 69 HIS HD2 . 11275 1 750 . 1 1 69 69 HIS HE1 H 1 8.799 0.030 . 1 . . . . 69 HIS HE1 . 11275 1 751 . 1 1 69 69 HIS C C 13 173.568 0.300 . 1 . . . . 69 HIS C . 11275 1 752 . 1 1 69 69 HIS CA C 13 56.289 0.300 . 1 . . . . 69 HIS CA . 11275 1 753 . 1 1 69 69 HIS CB C 13 33.986 0.300 . 1 . . . . 69 HIS CB . 11275 1 754 . 1 1 69 69 HIS CD2 C 13 118.662 0.300 . 1 . . . . 69 HIS CD2 . 11275 1 755 . 1 1 69 69 HIS CE1 C 13 139.016 0.300 . 1 . . . . 69 HIS CE1 . 11275 1 756 . 1 1 69 69 HIS N N 15 123.073 0.300 . 1 . . . . 69 HIS N . 11275 1 757 . 1 1 70 70 GLU H H 1 8.143 0.030 . 1 . . . . 70 GLU H . 11275 1 758 . 1 1 70 70 GLU HA H 1 5.075 0.030 . 1 . . . . 70 GLU HA . 11275 1 759 . 1 1 70 70 GLU HB2 H 1 1.826 0.030 . 2 . . . . 70 GLU HB2 . 11275 1 760 . 1 1 70 70 GLU HB3 H 1 1.763 0.030 . 2 . . . . 70 GLU HB3 . 11275 1 761 . 1 1 70 70 GLU HG2 H 1 1.995 0.030 . 2 . . . . 70 GLU HG2 . 11275 1 762 . 1 1 70 70 GLU HG3 H 1 1.800 0.030 . 2 . . . . 70 GLU HG3 . 11275 1 763 . 1 1 70 70 GLU C C 13 174.053 0.300 . 1 . . . . 70 GLU C . 11275 1 764 . 1 1 70 70 GLU CA C 13 54.670 0.300 . 1 . . . . 70 GLU CA . 11275 1 765 . 1 1 70 70 GLU CB C 13 31.930 0.300 . 1 . . . . 70 GLU CB . 11275 1 766 . 1 1 70 70 GLU CG C 13 36.082 0.300 . 1 . . . . 70 GLU CG . 11275 1 767 . 1 1 70 70 GLU N N 15 124.642 0.300 . 1 . . . . 70 GLU N . 11275 1 768 . 1 1 71 71 LEU H H 1 8.334 0.030 . 1 . . . . 71 LEU H . 11275 1 769 . 1 1 71 71 LEU HA H 1 4.180 0.030 . 1 . . . . 71 LEU HA . 11275 1 770 . 1 1 71 71 LEU HB2 H 1 0.670 0.030 . 2 . . . . 71 LEU HB2 . 11275 1 771 . 1 1 71 71 LEU HB3 H 1 1.249 0.030 . 2 . . . . 71 LEU HB3 . 11275 1 772 . 1 1 71 71 LEU HD11 H 1 0.474 0.030 . 1 . . . . 71 LEU HD1 . 11275 1 773 . 1 1 71 71 LEU HD12 H 1 0.474 0.030 . 1 . . . . 71 LEU HD1 . 11275 1 774 . 1 1 71 71 LEU HD13 H 1 0.474 0.030 . 1 . . . . 71 LEU HD1 . 11275 1 775 . 1 1 71 71 LEU HD21 H 1 0.426 0.030 . 1 . . . . 71 LEU HD2 . 11275 1 776 . 1 1 71 71 LEU HD22 H 1 0.426 0.030 . 1 . . . . 71 LEU HD2 . 11275 1 777 . 1 1 71 71 LEU HD23 H 1 0.426 0.030 . 1 . . . . 71 LEU HD2 . 11275 1 778 . 1 1 71 71 LEU HG H 1 1.075 0.030 . 1 . . . . 71 LEU HG . 11275 1 779 . 1 1 71 71 LEU C C 13 174.925 0.300 . 1 . . . . 71 LEU C . 11275 1 780 . 1 1 71 71 LEU CA C 13 53.615 0.300 . 1 . . . . 71 LEU CA . 11275 1 781 . 1 1 71 71 LEU CB C 13 45.252 0.300 . 1 . . . . 71 LEU CB . 11275 1 782 . 1 1 71 71 LEU CD1 C 13 24.005 0.300 . 2 . . . . 71 LEU CD1 . 11275 1 783 . 1 1 71 71 LEU CD2 C 13 25.602 0.300 . 2 . . . . 71 LEU CD2 . 11275 1 784 . 1 1 71 71 LEU CG C 13 27.110 0.300 . 1 . . . . 71 LEU CG . 11275 1 785 . 1 1 71 71 LEU N N 15 124.522 0.300 . 1 . . . . 71 LEU N . 11275 1 786 . 1 1 72 72 HIS H H 1 9.288 0.030 . 1 . . . . 72 HIS H . 11275 1 787 . 1 1 72 72 HIS HA H 1 4.043 0.030 . 1 . . . . 72 HIS HA . 11275 1 788 . 1 1 72 72 HIS HB2 H 1 2.693 0.030 . 2 . . . . 72 HIS HB2 . 11275 1 789 . 1 1 72 72 HIS HB3 H 1 3.445 0.030 . 2 . . . . 72 HIS HB3 . 11275 1 790 . 1 1 72 72 HIS HD2 H 1 6.732 0.030 . 1 . . . . 72 HIS HD2 . 11275 1 791 . 1 1 72 72 HIS HE1 H 1 7.707 0.030 . 1 . . . . 72 HIS HE1 . 11275 1 792 . 1 1 72 72 HIS C C 13 175.652 0.300 . 1 . . . . 72 HIS C . 11275 1 793 . 1 1 72 72 HIS CA C 13 56.641 0.300 . 1 . . . . 72 HIS CA . 11275 1 794 . 1 1 72 72 HIS CB C 13 29.452 0.300 . 1 . . . . 72 HIS CB . 11275 1 795 . 1 1 72 72 HIS CD2 C 13 120.447 0.300 . 1 . . . . 72 HIS CD2 . 11275 1 796 . 1 1 72 72 HIS CE1 C 13 138.246 0.300 . 1 . . . . 72 HIS CE1 . 11275 1 797 . 1 1 72 72 HIS N N 15 125.216 0.300 . 1 . . . . 72 HIS N . 11275 1 798 . 1 1 73 73 GLY H H 1 8.767 0.030 . 1 . . . . 73 GLY H . 11275 1 799 . 1 1 73 73 GLY HA2 H 1 3.513 0.030 . 2 . . . . 73 GLY HA2 . 11275 1 800 . 1 1 73 73 GLY HA3 H 1 4.100 0.030 . 2 . . . . 73 GLY HA3 . 11275 1 801 . 1 1 73 73 GLY C C 13 173.253 0.300 . 1 . . . . 73 GLY C . 11275 1 802 . 1 1 73 73 GLY CA C 13 45.311 0.300 . 1 . . . . 73 GLY CA . 11275 1 803 . 1 1 73 73 GLY N N 15 104.944 0.300 . 1 . . . . 73 GLY N . 11275 1 804 . 1 1 74 74 ALA H H 1 8.003 0.030 . 1 . . . . 74 ALA H . 11275 1 805 . 1 1 74 74 ALA HA H 1 4.596 0.030 . 1 . . . . 74 ALA HA . 11275 1 806 . 1 1 74 74 ALA HB1 H 1 1.446 0.030 . 1 . . . . 74 ALA HB . 11275 1 807 . 1 1 74 74 ALA HB2 H 1 1.446 0.030 . 1 . . . . 74 ALA HB . 11275 1 808 . 1 1 74 74 ALA HB3 H 1 1.446 0.030 . 1 . . . . 74 ALA HB . 11275 1 809 . 1 1 74 74 ALA C C 13 175.773 0.300 . 1 . . . . 74 ALA C . 11275 1 810 . 1 1 74 74 ALA CA C 13 50.765 0.300 . 1 . . . . 74 ALA CA . 11275 1 811 . 1 1 74 74 ALA CB C 13 20.168 0.300 . 1 . . . . 74 ALA CB . 11275 1 812 . 1 1 74 74 ALA N N 15 124.954 0.300 . 1 . . . . 74 ALA N . 11275 1 813 . 1 1 75 75 GLN H H 1 8.457 0.030 . 1 . . . . 75 GLN H . 11275 1 814 . 1 1 75 75 GLN HA H 1 4.616 0.030 . 1 . . . . 75 GLN HA . 11275 1 815 . 1 1 75 75 GLN HB2 H 1 2.026 0.030 . 2 . . . . 75 GLN HB2 . 11275 1 816 . 1 1 75 75 GLN HB3 H 1 2.082 0.030 . 2 . . . . 75 GLN HB3 . 11275 1 817 . 1 1 75 75 GLN HE21 H 1 6.880 0.030 . 2 . . . . 75 GLN HE21 . 11275 1 818 . 1 1 75 75 GLN HE22 H 1 7.624 0.030 . 2 . . . . 75 GLN HE22 . 11275 1 819 . 1 1 75 75 GLN HG2 H 1 2.352 0.030 . 2 . . . . 75 GLN HG2 . 11275 1 820 . 1 1 75 75 GLN HG3 H 1 2.413 0.030 . 2 . . . . 75 GLN HG3 . 11275 1 821 . 1 1 75 75 GLN C C 13 175.773 0.300 . 1 . . . . 75 GLN C . 11275 1 822 . 1 1 75 75 GLN CA C 13 55.198 0.300 . 1 . . . . 75 GLN CA . 11275 1 823 . 1 1 75 75 GLN CB C 13 28.559 0.300 . 1 . . . . 75 GLN CB . 11275 1 824 . 1 1 75 75 GLN CG C 13 33.739 0.300 . 1 . . . . 75 GLN CG . 11275 1 825 . 1 1 75 75 GLN N N 15 121.430 0.300 . 1 . . . . 75 GLN N . 11275 1 826 . 1 1 75 75 GLN NE2 N 15 112.305 0.300 . 1 . . . . 75 GLN NE2 . 11275 1 827 . 1 1 76 76 LEU H H 1 8.606 0.030 . 1 . . . . 76 LEU H . 11275 1 828 . 1 1 76 76 LEU HA H 1 4.896 0.030 . 1 . . . . 76 LEU HA . 11275 1 829 . 1 1 76 76 LEU HB2 H 1 1.378 0.030 . 2 . . . . 76 LEU HB2 . 11275 1 830 . 1 1 76 76 LEU HB3 H 1 1.820 0.030 . 2 . . . . 76 LEU HB3 . 11275 1 831 . 1 1 76 76 LEU HD11 H 1 0.638 0.030 . 1 . . . . 76 LEU HD1 . 11275 1 832 . 1 1 76 76 LEU HD12 H 1 0.638 0.030 . 1 . . . . 76 LEU HD1 . 11275 1 833 . 1 1 76 76 LEU HD13 H 1 0.638 0.030 . 1 . . . . 76 LEU HD1 . 11275 1 834 . 1 1 76 76 LEU HD21 H 1 0.738 0.030 . 1 . . . . 76 LEU HD2 . 11275 1 835 . 1 1 76 76 LEU HD22 H 1 0.738 0.030 . 1 . . . . 76 LEU HD2 . 11275 1 836 . 1 1 76 76 LEU HD23 H 1 0.738 0.030 . 1 . . . . 76 LEU HD2 . 11275 1 837 . 1 1 76 76 LEU HG H 1 1.692 0.030 . 1 . . . . 76 LEU HG . 11275 1 838 . 1 1 76 76 LEU C C 13 176.742 0.300 . 1 . . . . 76 LEU C . 11275 1 839 . 1 1 76 76 LEU CA C 13 53.791 0.300 . 1 . . . . 76 LEU CA . 11275 1 840 . 1 1 76 76 LEU CB C 13 43.279 0.300 . 1 . . . . 76 LEU CB . 11275 1 841 . 1 1 76 76 LEU CD1 C 13 22.704 0.300 . 2 . . . . 76 LEU CD1 . 11275 1 842 . 1 1 76 76 LEU CD2 C 13 25.900 0.300 . 2 . . . . 76 LEU CD2 . 11275 1 843 . 1 1 76 76 LEU CG C 13 26.884 0.300 . 1 . . . . 76 LEU CG . 11275 1 844 . 1 1 76 76 LEU N N 15 125.054 0.300 . 1 . . . . 76 LEU N . 11275 1 845 . 1 1 77 77 SER H H 1 8.406 0.030 . 1 . . . . 77 SER H . 11275 1 846 . 1 1 77 77 SER HA H 1 4.969 0.030 . 1 . . . . 77 SER HA . 11275 1 847 . 1 1 77 77 SER HB2 H 1 3.764 0.030 . 1 . . . . 77 SER HB2 . 11275 1 848 . 1 1 77 77 SER HB3 H 1 3.764 0.030 . 1 . . . . 77 SER HB3 . 11275 1 849 . 1 1 77 77 SER C C 13 173.423 0.300 . 1 . . . . 77 SER C . 11275 1 850 . 1 1 77 77 SER CA C 13 57.239 0.300 . 1 . . . . 77 SER CA . 11275 1 851 . 1 1 77 77 SER CB C 13 64.885 0.300 . 1 . . . . 77 SER CB . 11275 1 852 . 1 1 77 77 SER N N 15 115.616 0.300 . 1 . . . . 77 SER N . 11275 1 853 . 1 1 78 78 LEU H H 1 9.212 0.030 . 1 . . . . 78 LEU H . 11275 1 854 . 1 1 78 78 LEU HA H 1 5.721 0.030 . 1 . . . . 78 LEU HA . 11275 1 855 . 1 1 78 78 LEU HB2 H 1 1.342 0.030 . 2 . . . . 78 LEU HB2 . 11275 1 856 . 1 1 78 78 LEU HB3 H 1 1.849 0.030 . 2 . . . . 78 LEU HB3 . 11275 1 857 . 1 1 78 78 LEU HD11 H 1 0.707 0.030 . 1 . . . . 78 LEU HD1 . 11275 1 858 . 1 1 78 78 LEU HD12 H 1 0.707 0.030 . 1 . . . . 78 LEU HD1 . 11275 1 859 . 1 1 78 78 LEU HD13 H 1 0.707 0.030 . 1 . . . . 78 LEU HD1 . 11275 1 860 . 1 1 78 78 LEU HD21 H 1 0.702 0.030 . 1 . . . . 78 LEU HD2 . 11275 1 861 . 1 1 78 78 LEU HD22 H 1 0.702 0.030 . 1 . . . . 78 LEU HD2 . 11275 1 862 . 1 1 78 78 LEU HD23 H 1 0.702 0.030 . 1 . . . . 78 LEU HD2 . 11275 1 863 . 1 1 78 78 LEU HG H 1 1.695 0.030 . 1 . . . . 78 LEU HG . 11275 1 864 . 1 1 78 78 LEU C C 13 176.742 0.300 . 1 . . . . 78 LEU C . 11275 1 865 . 1 1 78 78 LEU CA C 13 53.685 0.300 . 1 . . . . 78 LEU CA . 11275 1 866 . 1 1 78 78 LEU CB C 13 45.334 0.300 . 1 . . . . 78 LEU CB . 11275 1 867 . 1 1 78 78 LEU CD1 C 13 26.136 0.300 . 2 . . . . 78 LEU CD1 . 11275 1 868 . 1 1 78 78 LEU CD2 C 13 26.373 0.300 . 2 . . . . 78 LEU CD2 . 11275 1 869 . 1 1 78 78 LEU CG C 13 28.805 0.300 . 1 . . . . 78 LEU CG . 11275 1 870 . 1 1 78 78 LEU N N 15 127.773 0.300 . 1 . . . . 78 LEU N . 11275 1 871 . 1 1 79 79 ARG H H 1 8.483 0.030 . 1 . . . . 79 ARG H . 11275 1 872 . 1 1 79 79 ARG HA H 1 4.888 0.030 . 1 . . . . 79 ARG HA . 11275 1 873 . 1 1 79 79 ARG HB2 H 1 1.983 0.030 . 2 . . . . 79 ARG HB2 . 11275 1 874 . 1 1 79 79 ARG HB3 H 1 1.829 0.030 . 2 . . . . 79 ARG HB3 . 11275 1 875 . 1 1 79 79 ARG HD2 H 1 3.136 0.030 . 2 . . . . 79 ARG HD2 . 11275 1 876 . 1 1 79 79 ARG HG2 H 1 1.683 0.030 . 2 . . . . 79 ARG HG2 . 11275 1 877 . 1 1 79 79 ARG HG3 H 1 1.566 0.030 . 2 . . . . 79 ARG HG3 . 11275 1 878 . 1 1 79 79 ARG C C 13 172.260 0.300 . 1 . . . . 79 ARG C . 11275 1 879 . 1 1 79 79 ARG CA C 13 53.861 0.300 . 1 . . . . 79 ARG CA . 11275 1 880 . 1 1 79 79 ARG CB C 13 31.684 0.300 . 1 . . . . 79 ARG CB . 11275 1 881 . 1 1 79 79 ARG CD C 13 43.637 0.300 . 1 . . . . 79 ARG CD . 11275 1 882 . 1 1 79 79 ARG CG C 13 25.663 0.300 . 1 . . . . 79 ARG CG . 11275 1 883 . 1 1 79 79 ARG N N 15 117.859 0.300 . 1 . . . . 79 ARG N . 11275 1 884 . 1 1 80 80 PRO HA H 1 4.522 0.030 . 1 . . . . 80 PRO HA . 11275 1 885 . 1 1 80 80 PRO HB2 H 1 1.900 0.030 . 2 . . . . 80 PRO HB2 . 11275 1 886 . 1 1 80 80 PRO HB3 H 1 2.394 0.030 . 2 . . . . 80 PRO HB3 . 11275 1 887 . 1 1 80 80 PRO HD2 H 1 3.703 0.030 . 2 . . . . 80 PRO HD2 . 11275 1 888 . 1 1 80 80 PRO HD3 H 1 3.847 0.030 . 2 . . . . 80 PRO HD3 . 11275 1 889 . 1 1 80 80 PRO HG2 H 1 2.165 0.030 . 1 . . . . 80 PRO HG2 . 11275 1 890 . 1 1 80 80 PRO HG3 H 1 2.165 0.030 . 1 . . . . 80 PRO HG3 . 11275 1 891 . 1 1 80 80 PRO C C 13 176.161 0.300 . 1 . . . . 80 PRO C . 11275 1 892 . 1 1 80 80 PRO CA C 13 63.678 0.300 . 1 . . . . 80 PRO CA . 11275 1 893 . 1 1 80 80 PRO CB C 13 31.583 0.300 . 1 . . . . 80 PRO CB . 11275 1 894 . 1 1 80 80 PRO CD C 13 50.595 0.300 . 1 . . . . 80 PRO CD . 11275 1 895 . 1 1 80 80 PRO CG C 13 27.901 0.300 . 1 . . . . 80 PRO CG . 11275 1 896 . 1 1 81 81 ALA H H 1 7.945 0.030 . 1 . . . . 81 ALA H . 11275 1 897 . 1 1 81 81 ALA HA H 1 4.541 0.030 . 1 . . . . 81 ALA HA . 11275 1 898 . 1 1 81 81 ALA HB1 H 1 1.197 0.030 . 1 . . . . 81 ALA HB . 11275 1 899 . 1 1 81 81 ALA HB2 H 1 1.197 0.030 . 1 . . . . 81 ALA HB . 11275 1 900 . 1 1 81 81 ALA HB3 H 1 1.197 0.030 . 1 . . . . 81 ALA HB . 11275 1 901 . 1 1 81 81 ALA C C 13 174.658 0.300 . 1 . . . . 81 ALA C . 11275 1 902 . 1 1 81 81 ALA CA C 13 50.237 0.300 . 1 . . . . 81 ALA CA . 11275 1 903 . 1 1 81 81 ALA CB C 13 18.149 0.300 . 1 . . . . 81 ALA CB . 11275 1 904 . 1 1 81 81 ALA N N 15 126.244 0.300 . 1 . . . . 81 ALA N . 11275 1 905 . 1 1 82 82 PRO HD2 H 1 3.796 0.030 . 2 . . . . 82 PRO HD2 . 11275 1 906 . 1 1 82 82 PRO HD3 H 1 3.528 0.030 . 2 . . . . 82 PRO HD3 . 11275 1 907 . 1 1 82 82 PRO CD C 13 50.464 0.300 . 1 . . . . 82 PRO CD . 11275 1 908 . 1 1 83 83 PRO HA H 1 4.379 0.030 . 1 . . . . 83 PRO HA . 11275 1 909 . 1 1 83 83 PRO HB2 H 1 1.895 0.030 . 2 . . . . 83 PRO HB2 . 11275 1 910 . 1 1 83 83 PRO HB3 H 1 2.272 0.030 . 2 . . . . 83 PRO HB3 . 11275 1 911 . 1 1 83 83 PRO HD2 H 1 3.601 0.030 . 2 . . . . 83 PRO HD2 . 11275 1 912 . 1 1 83 83 PRO HD3 H 1 3.808 0.030 . 2 . . . . 83 PRO HD3 . 11275 1 913 . 1 1 83 83 PRO HG2 H 1 2.005 0.030 . 1 . . . . 83 PRO HG2 . 11275 1 914 . 1 1 83 83 PRO HG3 H 1 2.005 0.030 . 1 . . . . 83 PRO HG3 . 11275 1 915 . 1 1 83 83 PRO C C 13 176.863 0.300 . 1 . . . . 83 PRO C . 11275 1 916 . 1 1 83 83 PRO CA C 13 62.974 0.300 . 1 . . . . 83 PRO CA . 11275 1 917 . 1 1 83 83 PRO CB C 13 32.259 0.300 . 1 . . . . 83 PRO CB . 11275 1 918 . 1 1 83 83 PRO CD C 13 50.433 0.300 . 1 . . . . 83 PRO CD . 11275 1 919 . 1 1 83 83 PRO CG C 13 27.407 0.300 . 1 . . . . 83 PRO CG . 11275 1 920 . 1 1 84 84 ARG H H 1 8.343 0.030 . 1 . . . . 84 ARG H . 11275 1 921 . 1 1 84 84 ARG HA H 1 4.249 0.030 . 1 . . . . 84 ARG HA . 11275 1 922 . 1 1 84 84 ARG HB2 H 1 1.699 0.030 . 2 . . . . 84 ARG HB2 . 11275 1 923 . 1 1 84 84 ARG HB3 H 1 1.778 0.030 . 2 . . . . 84 ARG HB3 . 11275 1 924 . 1 1 84 84 ARG HD2 H 1 3.160 0.030 . 1 . . . . 84 ARG HD2 . 11275 1 925 . 1 1 84 84 ARG HD3 H 1 3.160 0.030 . 1 . . . . 84 ARG HD3 . 11275 1 926 . 1 1 84 84 ARG HG2 H 1 1.603 0.030 . 1 . . . . 84 ARG HG2 . 11275 1 927 . 1 1 84 84 ARG HG3 H 1 1.603 0.030 . 1 . . . . 84 ARG HG3 . 11275 1 928 . 1 1 84 84 ARG C C 13 175.652 0.300 . 1 . . . . 84 ARG C . 11275 1 929 . 1 1 84 84 ARG CA C 13 55.691 0.300 . 1 . . . . 84 ARG CA . 11275 1 930 . 1 1 84 84 ARG CB C 13 30.872 0.300 . 1 . . . . 84 ARG CB . 11275 1 931 . 1 1 84 84 ARG CD C 13 43.196 0.300 . 1 . . . . 84 ARG CD . 11275 1 932 . 1 1 84 84 ARG CG C 13 27.084 0.300 . 1 . . . . 84 ARG CG . 11275 1 933 . 1 1 84 84 ARG N N 15 121.215 0.300 . 1 . . . . 84 ARG N . 11275 1 934 . 1 1 85 85 ALA H H 1 8.311 0.030 . 1 . . . . 85 ALA H . 11275 1 935 . 1 1 85 85 ALA HA H 1 4.541 0.030 . 1 . . . . 85 ALA HA . 11275 1 936 . 1 1 85 85 ALA HB1 H 1 1.327 0.030 . 1 . . . . 85 ALA HB . 11275 1 937 . 1 1 85 85 ALA HB2 H 1 1.327 0.030 . 1 . . . . 85 ALA HB . 11275 1 938 . 1 1 85 85 ALA HB3 H 1 1.327 0.030 . 1 . . . . 85 ALA HB . 11275 1 939 . 1 1 85 85 ALA C C 13 175.361 0.300 . 1 . . . . 85 ALA C . 11275 1 940 . 1 1 85 85 ALA CA C 13 50.518 0.300 . 1 . . . . 85 ALA CA . 11275 1 941 . 1 1 85 85 ALA CB C 13 18.149 0.300 . 1 . . . . 85 ALA CB . 11275 1 942 . 1 1 85 85 ALA N N 15 126.795 0.300 . 1 . . . . 85 ALA N . 11275 1 943 . 1 1 86 86 PRO HA H 1 4.376 0.030 . 1 . . . . 86 PRO HA . 11275 1 944 . 1 1 86 86 PRO HB2 H 1 2.275 0.030 . 2 . . . . 86 PRO HB2 . 11275 1 945 . 1 1 86 86 PRO HB3 H 1 1.872 0.030 . 2 . . . . 86 PRO HB3 . 11275 1 946 . 1 1 86 86 PRO HD2 H 1 3.607 0.030 . 2 . . . . 86 PRO HD2 . 11275 1 947 . 1 1 86 86 PRO HD3 H 1 3.785 0.030 . 2 . . . . 86 PRO HD3 . 11275 1 948 . 1 1 86 86 PRO C C 13 176.766 0.300 . 1 . . . . 86 PRO C . 11275 1 949 . 1 1 86 86 PRO CA C 13 63.044 0.300 . 1 . . . . 86 PRO CA . 11275 1 950 . 1 1 86 86 PRO CB C 13 31.819 0.300 . 1 . . . . 86 PRO CB . 11275 1 951 . 1 1 86 86 PRO CD C 13 50.351 0.300 . 1 . . . . 86 PRO CD . 11275 1 952 . 1 1 86 86 PRO CG C 13 27.572 0.300 . 1 . . . . 86 PRO CG . 11275 1 953 . 1 1 87 87 ALA H H 1 8.343 0.030 . 1 . . . . 87 ALA H . 11275 1 954 . 1 1 87 87 ALA HA H 1 4.196 0.030 . 1 . . . . 87 ALA HA . 11275 1 955 . 1 1 87 87 ALA HB1 H 1 1.345 0.030 . 1 . . . . 87 ALA HB . 11275 1 956 . 1 1 87 87 ALA HB2 H 1 1.345 0.030 . 1 . . . . 87 ALA HB . 11275 1 957 . 1 1 87 87 ALA HB3 H 1 1.345 0.030 . 1 . . . . 87 ALA HB . 11275 1 958 . 1 1 87 87 ALA C C 13 177.881 0.300 . 1 . . . . 87 ALA C . 11275 1 959 . 1 1 87 87 ALA CA C 13 52.700 0.300 . 1 . . . . 87 ALA CA . 11275 1 960 . 1 1 87 87 ALA CB C 13 19.074 0.300 . 1 . . . . 87 ALA CB . 11275 1 961 . 1 1 87 87 ALA N N 15 124.064 0.300 . 1 . . . . 87 ALA N . 11275 1 962 . 1 1 88 88 ARG H H 1 8.226 0.030 . 1 . . . . 88 ARG H . 11275 1 963 . 1 1 88 88 ARG HA H 1 4.280 0.030 . 1 . . . . 88 ARG HA . 11275 1 964 . 1 1 88 88 ARG HB2 H 1 1.752 0.030 . 2 . . . . 88 ARG HB2 . 11275 1 965 . 1 1 88 88 ARG HB3 H 1 1.587 0.030 . 2 . . . . 88 ARG HB3 . 11275 1 966 . 1 1 88 88 ARG HG2 H 1 1.846 0.030 . 2 . . . . 88 ARG HG2 . 11275 1 967 . 1 1 88 88 ARG HG3 H 1 1.947 0.030 . 2 . . . . 88 ARG HG3 . 11275 1 968 . 1 1 88 88 ARG C C 13 176.015 0.300 . 1 . . . . 88 ARG C . 11275 1 969 . 1 1 88 88 ARG CA C 13 56.043 0.300 . 1 . . . . 88 ARG CA . 11275 1 970 . 1 1 88 88 ARG CB C 13 30.615 0.300 . 1 . . . . 88 ARG CB . 11275 1 971 . 1 1 88 88 ARG CD C 13 43.196 0.300 . 1 . . . . 88 ARG CD . 11275 1 972 . 1 1 88 88 ARG CG C 13 24.762 0.300 . 1 . . . . 88 ARG CG . 11275 1 973 . 1 1 88 88 ARG N N 15 119.746 0.300 . 1 . . . . 88 ARG N . 11275 1 974 . 1 1 89 89 LEU H H 1 8.196 0.030 . 1 . . . . 89 LEU H . 11275 1 975 . 1 1 89 89 LEU HA H 1 4.307 0.030 . 1 . . . . 89 LEU HA . 11275 1 976 . 1 1 89 89 LEU HB2 H 1 1.585 0.030 . 1 . . . . 89 LEU HB2 . 11275 1 977 . 1 1 89 89 LEU HB3 H 1 1.585 0.030 . 1 . . . . 89 LEU HB3 . 11275 1 978 . 1 1 89 89 LEU C C 13 177.251 0.300 . 1 . . . . 89 LEU C . 11275 1 979 . 1 1 89 89 LEU CA C 13 55.233 0.300 . 1 . . . . 89 LEU CA . 11275 1 980 . 1 1 89 89 LEU CB C 13 42.210 0.300 . 1 . . . . 89 LEU CB . 11275 1 981 . 1 1 89 89 LEU CG C 13 26.996 0.300 . 1 . . . . 89 LEU CG . 11275 1 982 . 1 1 89 89 LEU N N 15 123.326 0.300 . 1 . . . . 89 LEU N . 11275 1 983 . 1 1 90 90 LEU H H 1 8.116 0.030 . 1 . . . . 90 LEU H . 11275 1 984 . 1 1 90 90 LEU C C 13 177.105 0.300 . 1 . . . . 90 LEU C . 11275 1 985 . 1 1 90 90 LEU CA C 13 55.268 0.300 . 1 . . . . 90 LEU CA . 11275 1 986 . 1 1 90 90 LEU CB C 13 42.045 0.300 . 1 . . . . 90 LEU CB . 11275 1 987 . 1 1 90 90 LEU CD1 C 13 24.776 0.300 . 2 . . . . 90 LEU CD1 . 11275 1 988 . 1 1 90 90 LEU CD2 C 13 23.954 0.300 . 2 . . . . 90 LEU CD2 . 11275 1 989 . 1 1 90 90 LEU CG C 13 27.243 0.300 . 1 . . . . 90 LEU CG . 11275 1 990 . 1 1 90 90 LEU N N 15 122.558 0.300 . 1 . . . . 90 LEU N . 11275 1 991 . 1 1 91 91 LEU H H 1 8.135 0.030 . 1 . . . . 91 LEU H . 11275 1 992 . 1 1 91 91 LEU HA H 1 4.311 0.030 . 1 . . . . 91 LEU HA . 11275 1 993 . 1 1 91 91 LEU HB2 H 1 1.626 0.030 . 2 . . . . 91 LEU HB2 . 11275 1 994 . 1 1 91 91 LEU HB3 H 1 1.547 0.030 . 2 . . . . 91 LEU HB3 . 11275 1 995 . 1 1 91 91 LEU HD11 H 1 0.891 0.030 . 1 . . . . 91 LEU HD1 . 11275 1 996 . 1 1 91 91 LEU HD12 H 1 0.891 0.030 . 1 . . . . 91 LEU HD1 . 11275 1 997 . 1 1 91 91 LEU HD13 H 1 0.891 0.030 . 1 . . . . 91 LEU HD1 . 11275 1 998 . 1 1 91 91 LEU HD21 H 1 0.840 0.030 . 1 . . . . 91 LEU HD2 . 11275 1 999 . 1 1 91 91 LEU HD22 H 1 0.840 0.030 . 1 . . . . 91 LEU HD2 . 11275 1 1000 . 1 1 91 91 LEU HD23 H 1 0.840 0.030 . 1 . . . . 91 LEU HD2 . 11275 1 1001 . 1 1 91 91 LEU HG H 1 1.572 0.030 . 1 . . . . 91 LEU HG . 11275 1 1002 . 1 1 91 91 LEU C C 13 177.227 0.300 . 1 . . . . 91 LEU C . 11275 1 1003 . 1 1 91 91 LEU CA C 13 55.233 0.300 . 1 . . . . 91 LEU CA . 11275 1 1004 . 1 1 91 91 LEU CB C 13 42.238 0.300 . 1 . . . . 91 LEU CB . 11275 1 1005 . 1 1 91 91 LEU CD1 C 13 24.953 0.300 . 2 . . . . 91 LEU CD1 . 11275 1 1006 . 1 1 91 91 LEU CD2 C 13 23.542 0.300 . 2 . . . . 91 LEU CD2 . 11275 1 1007 . 1 1 91 91 LEU CG C 13 27.084 0.300 . 1 . . . . 91 LEU CG . 11275 1 1008 . 1 1 91 91 LEU N N 15 122.961 0.300 . 1 . . . . 91 LEU N . 11275 1 1009 . 1 1 92 92 GLN H H 1 8.248 0.030 . 1 . . . . 92 GLN H . 11275 1 1010 . 1 1 92 92 GLN HA H 1 4.296 0.030 . 1 . . . . 92 GLN HA . 11275 1 1011 . 1 1 92 92 GLN HB2 H 1 2.107 0.030 . 2 . . . . 92 GLN HB2 . 11275 1 1012 . 1 1 92 92 GLN HB3 H 1 1.988 0.030 . 2 . . . . 92 GLN HB3 . 11275 1 1013 . 1 1 92 92 GLN HE21 H 1 7.533 0.030 . 2 . . . . 92 GLN HE21 . 11275 1 1014 . 1 1 92 92 GLN HE22 H 1 6.855 0.030 . 2 . . . . 92 GLN HE22 . 11275 1 1015 . 1 1 92 92 GLN HG2 H 1 2.342 0.030 . 1 . . . . 92 GLN HG2 . 11275 1 1016 . 1 1 92 92 GLN HG3 H 1 2.342 0.030 . 1 . . . . 92 GLN HG3 . 11275 1 1017 . 1 1 92 92 GLN C C 13 176.209 0.300 . 1 . . . . 92 GLN C . 11275 1 1018 . 1 1 92 92 GLN CA C 13 56.007 0.300 . 1 . . . . 92 GLN CA . 11275 1 1019 . 1 1 92 92 GLN CB C 13 29.452 0.300 . 1 . . . . 92 GLN CB . 11275 1 1020 . 1 1 92 92 GLN CG C 13 33.904 0.300 . 1 . . . . 92 GLN CG . 11275 1 1021 . 1 1 92 92 GLN N N 15 120.438 0.300 . 1 . . . . 92 GLN N . 11275 1 1022 . 1 1 92 92 GLN NE2 N 15 112.400 0.300 . 1 . . . . 92 GLN NE2 . 11275 1 1023 . 1 1 93 93 GLY H H 1 8.321 0.030 . 1 . . . . 93 GLY H . 11275 1 1024 . 1 1 93 93 GLY HA2 H 1 3.918 0.030 . 1 . . . . 93 GLY HA2 . 11275 1 1025 . 1 1 93 93 GLY HA3 H 1 3.918 0.030 . 1 . . . . 93 GLY HA3 . 11275 1 1026 . 1 1 93 93 GLY C C 13 173.641 0.300 . 1 . . . . 93 GLY C . 11275 1 1027 . 1 1 93 93 GLY CA C 13 45.100 0.300 . 1 . . . . 93 GLY CA . 11275 1 1028 . 1 1 93 93 GLY N N 15 109.680 0.300 . 1 . . . . 93 GLY N . 11275 1 1029 . 1 1 94 94 LEU H H 1 8.059 0.030 . 1 . . . . 94 LEU H . 11275 1 1030 . 1 1 94 94 LEU HA H 1 4.618 0.030 . 1 . . . . 94 LEU HA . 11275 1 1031 . 1 1 94 94 LEU HB2 H 1 1.493 0.030 . 2 . . . . 94 LEU HB2 . 11275 1 1032 . 1 1 94 94 LEU HB3 H 1 1.572 0.030 . 2 . . . . 94 LEU HB3 . 11275 1 1033 . 1 1 94 94 LEU HD11 H 1 0.893 0.030 . 1 . . . . 94 LEU HD1 . 11275 1 1034 . 1 1 94 94 LEU HD12 H 1 0.893 0.030 . 1 . . . . 94 LEU HD1 . 11275 1 1035 . 1 1 94 94 LEU HD13 H 1 0.893 0.030 . 1 . . . . 94 LEU HD1 . 11275 1 1036 . 1 1 94 94 LEU HD21 H 1 0.900 0.030 . 1 . . . . 94 LEU HD2 . 11275 1 1037 . 1 1 94 94 LEU HD22 H 1 0.900 0.030 . 1 . . . . 94 LEU HD2 . 11275 1 1038 . 1 1 94 94 LEU HD23 H 1 0.900 0.030 . 1 . . . . 94 LEU HD2 . 11275 1 1039 . 1 1 94 94 LEU HG H 1 1.650 0.030 . 1 . . . . 94 LEU HG . 11275 1 1040 . 1 1 94 94 LEU C C 13 174.998 0.300 . 1 . . . . 94 LEU C . 11275 1 1041 . 1 1 94 94 LEU CA C 13 52.954 0.300 . 1 . . . . 94 LEU CA . 11275 1 1042 . 1 1 94 94 LEU CB C 13 41.798 0.300 . 1 . . . . 94 LEU CB . 11275 1 1043 . 1 1 94 94 LEU CD1 C 13 25.326 0.300 . 2 . . . . 94 LEU CD1 . 11275 1 1044 . 1 1 94 94 LEU CD2 C 13 23.243 0.300 . 2 . . . . 94 LEU CD2 . 11275 1 1045 . 1 1 94 94 LEU CG C 13 26.974 0.300 . 1 . . . . 94 LEU CG . 11275 1 1046 . 1 1 94 94 LEU N N 15 122.666 0.300 . 1 . . . . 94 LEU N . 11275 1 1047 . 1 1 95 95 PRO HA H 1 4.687 0.030 . 1 . . . . 95 PRO HA . 11275 1 1048 . 1 1 95 95 PRO HB2 H 1 2.326 0.030 . 2 . . . . 95 PRO HB2 . 11275 1 1049 . 1 1 95 95 PRO HB3 H 1 1.858 0.030 . 2 . . . . 95 PRO HB3 . 11275 1 1050 . 1 1 95 95 PRO HD2 H 1 3.579 0.030 . 2 . . . . 95 PRO HD2 . 11275 1 1051 . 1 1 95 95 PRO HD3 H 1 3.875 0.030 . 2 . . . . 95 PRO HD3 . 11275 1 1052 . 1 1 95 95 PRO HG2 H 1 2.011 0.030 . 1 . . . . 95 PRO HG2 . 11275 1 1053 . 1 1 95 95 PRO HG3 H 1 2.011 0.030 . 1 . . . . 95 PRO HG3 . 11275 1 1054 . 1 1 95 95 PRO CA C 13 61.490 0.300 . 1 . . . . 95 PRO CA . 11275 1 1055 . 1 1 95 95 PRO CB C 13 30.698 0.300 . 1 . . . . 95 PRO CB . 11275 1 1056 . 1 1 95 95 PRO CD C 13 50.412 0.300 . 1 . . . . 95 PRO CD . 11275 1 1057 . 1 1 95 95 PRO CG C 13 27.431 0.300 . 1 . . . . 95 PRO CG . 11275 1 1058 . 1 1 96 96 PRO HA H 1 4.410 0.030 . 1 . . . . 96 PRO HA . 11275 1 1059 . 1 1 96 96 PRO HB2 H 1 1.938 0.030 . 2 . . . . 96 PRO HB2 . 11275 1 1060 . 1 1 96 96 PRO HB3 H 1 2.302 0.030 . 2 . . . . 96 PRO HB3 . 11275 1 1061 . 1 1 96 96 PRO HD2 H 1 3.615 0.030 . 2 . . . . 96 PRO HD2 . 11275 1 1062 . 1 1 96 96 PRO HD3 H 1 3.793 0.030 . 2 . . . . 96 PRO HD3 . 11275 1 1063 . 1 1 96 96 PRO HG2 H 1 2.038 0.030 . 1 . . . . 96 PRO HG2 . 11275 1 1064 . 1 1 96 96 PRO HG3 H 1 2.038 0.030 . 1 . . . . 96 PRO HG3 . 11275 1 1065 . 1 1 96 96 PRO C C 13 177.687 0.300 . 1 . . . . 96 PRO C . 11275 1 1066 . 1 1 96 96 PRO CA C 13 63.432 0.300 . 1 . . . . 96 PRO CA . 11275 1 1067 . 1 1 96 96 PRO CB C 13 32.013 0.300 . 1 . . . . 96 PRO CB . 11275 1 1068 . 1 1 96 96 PRO CD C 13 50.433 0.300 . 1 . . . . 96 PRO CD . 11275 1 1069 . 1 1 96 96 PRO CG C 13 27.407 0.300 . 1 . . . . 96 PRO CG . 11275 1 1070 . 1 1 97 97 GLY H H 1 8.533 0.030 . 1 . . . . 97 GLY H . 11275 1 1071 . 1 1 97 97 GLY HA2 H 1 3.996 0.030 . 1 . . . . 97 GLY HA2 . 11275 1 1072 . 1 1 97 97 GLY HA3 H 1 3.996 0.030 . 1 . . . . 97 GLY HA3 . 11275 1 1073 . 1 1 97 97 GLY C C 13 174.586 0.300 . 1 . . . . 97 GLY C . 11275 1 1074 . 1 1 97 97 GLY CA C 13 45.311 0.300 . 1 . . . . 97 GLY CA . 11275 1 1075 . 1 1 97 97 GLY N N 15 109.560 0.300 . 1 . . . . 97 GLY N . 11275 1 1076 . 1 1 98 98 THR H H 1 7.982 0.030 . 1 . . . . 98 THR H . 11275 1 1077 . 1 1 98 98 THR HA H 1 4.398 0.030 . 1 . . . . 98 THR HA . 11275 1 1078 . 1 1 98 98 THR HB H 1 4.245 0.030 . 1 . . . . 98 THR HB . 11275 1 1079 . 1 1 98 98 THR HG21 H 1 1.193 0.030 . 1 . . . . 98 THR HG2 . 11275 1 1080 . 1 1 98 98 THR HG22 H 1 1.193 0.030 . 1 . . . . 98 THR HG2 . 11275 1 1081 . 1 1 98 98 THR HG23 H 1 1.193 0.030 . 1 . . . . 98 THR HG2 . 11275 1 1082 . 1 1 98 98 THR C C 13 174.610 0.300 . 1 . . . . 98 THR C . 11275 1 1083 . 1 1 98 98 THR CA C 13 61.954 0.300 . 1 . . . . 98 THR CA . 11275 1 1084 . 1 1 98 98 THR CB C 13 69.979 0.300 . 1 . . . . 98 THR CB . 11275 1 1085 . 1 1 98 98 THR CG2 C 13 21.522 0.300 . 1 . . . . 98 THR CG2 . 11275 1 1086 . 1 1 98 98 THR N N 15 113.508 0.300 . 1 . . . . 98 THR N . 11275 1 1087 . 1 1 99 99 SER H H 1 8.424 0.030 . 1 . . . . 99 SER H . 11275 1 1088 . 1 1 99 99 SER HA H 1 4.532 0.030 . 1 . . . . 99 SER HA . 11275 1 1089 . 1 1 99 99 SER HB2 H 1 3.871 0.030 . 1 . . . . 99 SER HB2 . 11275 1 1090 . 1 1 99 99 SER HB3 H 1 3.871 0.030 . 1 . . . . 99 SER HB3 . 11275 1 1091 . 1 1 99 99 SER C C 13 174.416 0.300 . 1 . . . . 99 SER C . 11275 1 1092 . 1 1 99 99 SER CA C 13 58.259 0.300 . 1 . . . . 99 SER CA . 11275 1 1093 . 1 1 99 99 SER CB C 13 64.084 0.300 . 1 . . . . 99 SER CB . 11275 1 1094 . 1 1 99 99 SER N N 15 118.242 0.300 . 1 . . . . 99 SER N . 11275 1 1095 . 1 1 100 100 GLY H H 1 8.261 0.030 . 1 . . . . 100 GLY H . 11275 1 1096 . 1 1 100 100 GLY C C 13 171.678 0.300 . 1 . . . . 100 GLY C . 11275 1 1097 . 1 1 100 100 GLY CA C 13 44.572 0.300 . 1 . . . . 100 GLY CA . 11275 1 1098 . 1 1 100 100 GLY N N 15 110.700 0.300 . 1 . . . . 100 GLY N . 11275 1 1099 . 1 1 101 101 PRO HA H 1 4.466 0.030 . 1 . . . . 101 PRO HA . 11275 1 1100 . 1 1 101 101 PRO HB2 H 1 1.969 0.030 . 2 . . . . 101 PRO HB2 . 11275 1 1101 . 1 1 101 101 PRO HB3 H 1 2.291 0.030 . 2 . . . . 101 PRO HB3 . 11275 1 1102 . 1 1 101 101 PRO HD2 H 1 3.607 0.030 . 1 . . . . 101 PRO HD2 . 11275 1 1103 . 1 1 101 101 PRO HD3 H 1 3.607 0.030 . 1 . . . . 101 PRO HD3 . 11275 1 1104 . 1 1 101 101 PRO C C 13 177.372 0.300 . 1 . . . . 101 PRO C . 11275 1 1105 . 1 1 101 101 PRO CA C 13 63.256 0.300 . 1 . . . . 101 PRO CA . 11275 1 1106 . 1 1 101 101 PRO CB C 13 32.177 0.300 . 1 . . . . 101 PRO CB . 11275 1 1107 . 1 1 101 101 PRO CD C 13 49.857 0.300 . 1 . . . . 101 PRO CD . 11275 1 1108 . 1 1 101 101 PRO CG C 13 27.243 0.300 . 1 . . . . 101 PRO CG . 11275 1 1109 . 1 1 102 102 SER H H 1 8.535 0.030 . 1 . . . . 102 SER H . 11275 1 1110 . 1 1 102 102 SER HA H 1 4.489 0.030 . 1 . . . . 102 SER HA . 11275 1 1111 . 1 1 102 102 SER HB2 H 1 3.897 0.030 . 1 . . . . 102 SER HB2 . 11275 1 1112 . 1 1 102 102 SER HB3 H 1 3.897 0.030 . 1 . . . . 102 SER HB3 . 11275 1 1113 . 1 1 102 102 SER C C 13 174.683 0.300 . 1 . . . . 102 SER C . 11275 1 1114 . 1 1 102 102 SER CA C 13 58.330 0.300 . 1 . . . . 102 SER CA . 11275 1 1115 . 1 1 102 102 SER CB C 13 63.919 0.300 . 1 . . . . 102 SER CB . 11275 1 1116 . 1 1 102 102 SER N N 15 116.418 0.300 . 1 . . . . 102 SER N . 11275 1 1117 . 1 1 103 103 SER H H 1 8.332 0.030 . 1 . . . . 103 SER H . 11275 1 1118 . 1 1 103 103 SER HA H 1 4.482 0.030 . 1 . . . . 103 SER HA . 11275 1 1119 . 1 1 103 103 SER HB2 H 1 3.880 0.030 . 1 . . . . 103 SER HB2 . 11275 1 1120 . 1 1 103 103 SER HB3 H 1 3.880 0.030 . 1 . . . . 103 SER HB3 . 11275 1 1121 . 1 1 103 103 SER C C 13 173.932 0.300 . 1 . . . . 103 SER C . 11275 1 1122 . 1 1 103 103 SER CA C 13 58.330 0.300 . 1 . . . . 103 SER CA . 11275 1 1123 . 1 1 103 103 SER CB C 13 64.166 0.300 . 1 . . . . 103 SER CB . 11275 1 1124 . 1 1 103 103 SER N N 15 117.843 0.300 . 1 . . . . 103 SER N . 11275 1 1125 . 1 1 104 104 GLY H H 1 8.051 0.030 . 1 . . . . 104 GLY H . 11275 1 1126 . 1 1 104 104 GLY C C 13 178.971 0.300 . 1 . . . . 104 GLY C . 11275 1 1127 . 1 1 104 104 GLY CA C 13 46.261 0.300 . 1 . . . . 104 GLY CA . 11275 1 1128 . 1 1 104 104 GLY N N 15 116.874 0.300 . 1 . . . . 104 GLY N . 11275 1 stop_ save_