data_11111 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11111 _Entry.Title ; The solution structure of the sixth fibronectin type III domain of human Neogenin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-18 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-18 _Entry.Original_release_date 2011-02-18 _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 N. Tochio . . . 11111 2 S. Koshiba . . . 11111 3 M. Inoue . . . 11111 4 T. Kigawa . . . 11111 5 S. Yokoyama . . . 11111 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)' . 11111 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11111 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 514 11111 '15N chemical shifts' 112 11111 '1H chemical shifts' 798 11111 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-02-18 2010-02-19 original author . 11111 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5K 'BMRB Entry Tracking System' 11111 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11111 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The solution structure of the sixth fibronectin type III domain of human Neogenin ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Tochio . . . 11111 1 2 S. Koshiba . . . 11111 1 3 M. Inoue . . . 11111 1 4 T. Kigawa . . . 11111 1 5 S. Yokoyama . . . 11111 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11111 _Assembly.ID 1 _Assembly.Name Neogenin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'fn3 domain' 1 $entity_1 A . yes native no no . . . 11111 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 1x5k . . . . . . 11111 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11111 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fn3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGTAHGTTFELVPTS PPKDVTVVSKEGKPKTIIVN WQPPSEANGKITGYIIYYST DVNAEIHDWVIEPVVGNRLT HQIQELTLDTPYYFKIQARN SKGMGPMSEAVQFRTPKASG 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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1X5K . "The Solution Structure Of The Sixth Fibronectin Type Iii Domain Of Human Neogenin" . . . . . 100.00 124 100.00 100.00 7.82e-84 . . . . 11111 1 2 no PDB 3P4L . "Crystal Structure Of A Hemojuvelin-binding Fragment Of Neogenin" . . . . . 94.35 211 97.44 97.44 4.80e-75 . . . . 11111 1 3 no REF XP_004056579 . "PREDICTED: neogenin [Gorilla gorilla gorilla]" . . . . . 94.35 1400 97.44 97.44 3.31e-68 . . . . 11111 1 4 no REF XP_009917344 . "PREDICTED: neogenin-like, partial [Haliaeetus albicilla]" . . . . . 52.42 469 100.00 100.00 2.48e-37 . . . . 11111 1 5 no REF XP_010190209 . "PREDICTED: neogenin-like [Mesitornis unicolor]" . . . . . 82.26 530 99.02 100.00 3.99e-64 . . . . 11111 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fn3 domain' . 11111 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 . 11111 1 2 . SER . 11111 1 3 . SER . 11111 1 4 . GLY . 11111 1 5 . SER . 11111 1 6 . SER . 11111 1 7 . GLY . 11111 1 8 . THR . 11111 1 9 . ALA . 11111 1 10 . HIS . 11111 1 11 . GLY . 11111 1 12 . THR . 11111 1 13 . THR . 11111 1 14 . PHE . 11111 1 15 . GLU . 11111 1 16 . LEU . 11111 1 17 . VAL . 11111 1 18 . PRO . 11111 1 19 . THR . 11111 1 20 . SER . 11111 1 21 . PRO . 11111 1 22 . PRO . 11111 1 23 . LYS . 11111 1 24 . ASP . 11111 1 25 . VAL . 11111 1 26 . THR . 11111 1 27 . VAL . 11111 1 28 . VAL . 11111 1 29 . SER . 11111 1 30 . LYS . 11111 1 31 . GLU . 11111 1 32 . GLY . 11111 1 33 . LYS . 11111 1 34 . PRO . 11111 1 35 . LYS . 11111 1 36 . THR . 11111 1 37 . ILE . 11111 1 38 . ILE . 11111 1 39 . VAL . 11111 1 40 . ASN . 11111 1 41 . TRP . 11111 1 42 . GLN . 11111 1 43 . PRO . 11111 1 44 . PRO . 11111 1 45 . SER . 11111 1 46 . GLU . 11111 1 47 . ALA . 11111 1 48 . ASN . 11111 1 49 . GLY . 11111 1 50 . LYS . 11111 1 51 . ILE . 11111 1 52 . THR . 11111 1 53 . GLY . 11111 1 54 . TYR . 11111 1 55 . ILE . 11111 1 56 . ILE . 11111 1 57 . TYR . 11111 1 58 . TYR . 11111 1 59 . SER . 11111 1 60 . THR . 11111 1 61 . ASP . 11111 1 62 . VAL . 11111 1 63 . ASN . 11111 1 64 . ALA . 11111 1 65 . GLU . 11111 1 66 . ILE . 11111 1 67 . HIS . 11111 1 68 . ASP . 11111 1 69 . TRP . 11111 1 70 . VAL . 11111 1 71 . ILE . 11111 1 72 . GLU . 11111 1 73 . PRO . 11111 1 74 . VAL . 11111 1 75 . VAL . 11111 1 76 . GLY . 11111 1 77 . ASN . 11111 1 78 . ARG . 11111 1 79 . LEU . 11111 1 80 . THR . 11111 1 81 . HIS . 11111 1 82 . GLN . 11111 1 83 . ILE . 11111 1 84 . GLN . 11111 1 85 . GLU . 11111 1 86 . LEU . 11111 1 87 . THR . 11111 1 88 . LEU . 11111 1 89 . ASP . 11111 1 90 . THR . 11111 1 91 . PRO . 11111 1 92 . TYR . 11111 1 93 . TYR . 11111 1 94 . PHE . 11111 1 95 . LYS . 11111 1 96 . ILE . 11111 1 97 . GLN . 11111 1 98 . ALA . 11111 1 99 . ARG . 11111 1 100 . ASN . 11111 1 101 . SER . 11111 1 102 . LYS . 11111 1 103 . GLY . 11111 1 104 . MET . 11111 1 105 . GLY . 11111 1 106 . PRO . 11111 1 107 . MET . 11111 1 108 . SER . 11111 1 109 . GLU . 11111 1 110 . ALA . 11111 1 111 . VAL . 11111 1 112 . GLN . 11111 1 113 . PHE . 11111 1 114 . ARG . 11111 1 115 . THR . 11111 1 116 . PRO . 11111 1 117 . LYS . 11111 1 118 . ALA . 11111 1 119 . SER . 11111 1 120 . GLY . 11111 1 121 . PRO . 11111 1 122 . SER . 11111 1 123 . SER . 11111 1 124 . GLY . 11111 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 11111 1 . SER 2 2 11111 1 . SER 3 3 11111 1 . GLY 4 4 11111 1 . SER 5 5 11111 1 . SER 6 6 11111 1 . GLY 7 7 11111 1 . THR 8 8 11111 1 . ALA 9 9 11111 1 . HIS 10 10 11111 1 . GLY 11 11 11111 1 . THR 12 12 11111 1 . THR 13 13 11111 1 . PHE 14 14 11111 1 . GLU 15 15 11111 1 . LEU 16 16 11111 1 . VAL 17 17 11111 1 . PRO 18 18 11111 1 . THR 19 19 11111 1 . SER 20 20 11111 1 . PRO 21 21 11111 1 . PRO 22 22 11111 1 . LYS 23 23 11111 1 . ASP 24 24 11111 1 . VAL 25 25 11111 1 . THR 26 26 11111 1 . VAL 27 27 11111 1 . VAL 28 28 11111 1 . SER 29 29 11111 1 . LYS 30 30 11111 1 . GLU 31 31 11111 1 . GLY 32 32 11111 1 . LYS 33 33 11111 1 . PRO 34 34 11111 1 . LYS 35 35 11111 1 . THR 36 36 11111 1 . ILE 37 37 11111 1 . ILE 38 38 11111 1 . VAL 39 39 11111 1 . ASN 40 40 11111 1 . TRP 41 41 11111 1 . GLN 42 42 11111 1 . PRO 43 43 11111 1 . PRO 44 44 11111 1 . SER 45 45 11111 1 . GLU 46 46 11111 1 . ALA 47 47 11111 1 . ASN 48 48 11111 1 . GLY 49 49 11111 1 . LYS 50 50 11111 1 . ILE 51 51 11111 1 . THR 52 52 11111 1 . GLY 53 53 11111 1 . TYR 54 54 11111 1 . ILE 55 55 11111 1 . ILE 56 56 11111 1 . TYR 57 57 11111 1 . TYR 58 58 11111 1 . SER 59 59 11111 1 . THR 60 60 11111 1 . ASP 61 61 11111 1 . VAL 62 62 11111 1 . ASN 63 63 11111 1 . ALA 64 64 11111 1 . GLU 65 65 11111 1 . ILE 66 66 11111 1 . HIS 67 67 11111 1 . ASP 68 68 11111 1 . TRP 69 69 11111 1 . VAL 70 70 11111 1 . ILE 71 71 11111 1 . GLU 72 72 11111 1 . PRO 73 73 11111 1 . VAL 74 74 11111 1 . VAL 75 75 11111 1 . GLY 76 76 11111 1 . ASN 77 77 11111 1 . ARG 78 78 11111 1 . LEU 79 79 11111 1 . THR 80 80 11111 1 . HIS 81 81 11111 1 . GLN 82 82 11111 1 . ILE 83 83 11111 1 . GLN 84 84 11111 1 . GLU 85 85 11111 1 . LEU 86 86 11111 1 . THR 87 87 11111 1 . LEU 88 88 11111 1 . ASP 89 89 11111 1 . THR 90 90 11111 1 . PRO 91 91 11111 1 . TYR 92 92 11111 1 . TYR 93 93 11111 1 . PHE 94 94 11111 1 . LYS 95 95 11111 1 . ILE 96 96 11111 1 . GLN 97 97 11111 1 . ALA 98 98 11111 1 . ARG 99 99 11111 1 . ASN 100 100 11111 1 . SER 101 101 11111 1 . LYS 102 102 11111 1 . GLY 103 103 11111 1 . MET 104 104 11111 1 . GLY 105 105 11111 1 . PRO 106 106 11111 1 . MET 107 107 11111 1 . SER 108 108 11111 1 . GLU 109 109 11111 1 . ALA 110 110 11111 1 . VAL 111 111 11111 1 . GLN 112 112 11111 1 . PHE 113 113 11111 1 . ARG 114 114 11111 1 . THR 115 115 11111 1 . PRO 116 116 11111 1 . LYS 117 117 11111 1 . ALA 118 118 11111 1 . SER 119 119 11111 1 . GLY 120 120 11111 1 . PRO 121 121 11111 1 . SER 122 122 11111 1 . SER 123 123 11111 1 . GLY 124 124 11111 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 11111 _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 . . . . . . . . . . . . . . . . . . . . . 11111 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 11111 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P041213-07 . . . . . . 11111 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11111 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.3mM FN3 domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FN3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.3 . . mM . . . . 11111 1 2 'd-Tris HCl' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11111 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11111 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11111 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11111 1 6 H2O . . . . . . solvent 90 . . % . . . . 11111 1 7 D2O . . . . . . solvent 10 . . % . . . . 11111 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 11111 _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 11111 1 pH 7.0 0.05 pH 11111 1 pressure 1 0.001 atm 11111 1 temperature 298 0.1 K 11111 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11111 _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 . . 11111 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11111 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11111 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11111 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11111 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11111 _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.' . . 11111 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11111 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11111 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11111 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11111 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11111 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11111 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11111 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 11111 _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 11111 _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 . . . 11111 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 11111 _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 . . . . . . . . . . . . . . . . 11111 1 2 '3D 13C-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11111 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 11111 _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 . . . . . . . . . 11111 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11111 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11111 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 11111 _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 11111 1 2 '3D 13C-SEPARATED NOESY' 1 $sample_1 isotropic 11111 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 . . 11111 1 2 $NMRPipe . . 11111 1 3 $NMRVIEW . . 11111 1 4 $KUJIRA . . 11111 1 5 $CYANA . . 11111 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 8 8 THR HA H 1 4.349 0.030 . 1 . . . . 8 THR HA . 11111 1 2 . 1 1 8 8 THR HB H 1 4.205 0.030 . 1 . . . . 8 THR HB . 11111 1 3 . 1 1 8 8 THR HG21 H 1 1.139 0.030 . 1 . . . . 8 THR HG2 . 11111 1 4 . 1 1 8 8 THR HG22 H 1 1.139 0.030 . 1 . . . . 8 THR HG2 . 11111 1 5 . 1 1 8 8 THR HG23 H 1 1.139 0.030 . 1 . . . . 8 THR HG2 . 11111 1 6 . 1 1 8 8 THR C C 13 174.448 0.300 . 1 . . . . 8 THR C . 11111 1 7 . 1 1 8 8 THR CA C 13 61.750 0.300 . 1 . . . . 8 THR CA . 11111 1 8 . 1 1 8 8 THR CB C 13 69.895 0.300 . 1 . . . . 8 THR CB . 11111 1 9 . 1 1 8 8 THR CG2 C 13 21.353 0.300 . 1 . . . . 8 THR CG2 . 11111 1 10 . 1 1 9 9 ALA H H 1 8.330 0.030 . 1 . . . . 9 ALA H . 11111 1 11 . 1 1 9 9 ALA HA H 1 4.299 0.030 . 1 . . . . 9 ALA HA . 11111 1 12 . 1 1 9 9 ALA HB1 H 1 1.319 0.030 . 1 . . . . 9 ALA HB . 11111 1 13 . 1 1 9 9 ALA HB2 H 1 1.319 0.030 . 1 . . . . 9 ALA HB . 11111 1 14 . 1 1 9 9 ALA HB3 H 1 1.319 0.030 . 1 . . . . 9 ALA HB . 11111 1 15 . 1 1 9 9 ALA C C 13 177.476 0.300 . 1 . . . . 9 ALA C . 11111 1 16 . 1 1 9 9 ALA CA C 13 52.529 0.300 . 1 . . . . 9 ALA CA . 11111 1 17 . 1 1 9 9 ALA CB C 13 19.084 0.300 . 1 . . . . 9 ALA CB . 11111 1 18 . 1 1 9 9 ALA N N 15 126.443 0.300 . 1 . . . . 9 ALA N . 11111 1 19 . 1 1 10 10 HIS HA H 1 4.595 0.030 . 1 . . . . 10 HIS HA . 11111 1 20 . 1 1 10 10 HIS HB2 H 1 3.134 0.030 . 2 . . . . 10 HIS HB2 . 11111 1 21 . 1 1 10 10 HIS HB3 H 1 3.053 0.030 . 2 . . . . 10 HIS HB3 . 11111 1 22 . 1 1 10 10 HIS HD2 H 1 7.012 0.030 . 1 . . . . 10 HIS HD2 . 11111 1 23 . 1 1 10 10 HIS HE1 H 1 7.836 0.030 . 1 . . . . 10 HIS HE1 . 11111 1 24 . 1 1 10 10 HIS CA C 13 56.461 0.300 . 1 . . . . 10 HIS CA . 11111 1 25 . 1 1 10 10 HIS CB C 13 30.924 0.300 . 1 . . . . 10 HIS CB . 11111 1 26 . 1 1 10 10 HIS CD2 C 13 120.061 0.300 . 1 . . . . 10 HIS CD2 . 11111 1 27 . 1 1 10 10 HIS CE1 C 13 138.446 0.300 . 1 . . . . 10 HIS CE1 . 11111 1 28 . 1 1 12 12 THR HA H 1 4.365 0.030 . 1 . . . . 12 THR HA . 11111 1 29 . 1 1 12 12 THR HB H 1 4.202 0.030 . 1 . . . . 12 THR HB . 11111 1 30 . 1 1 12 12 THR HG21 H 1 1.153 0.030 . 1 . . . . 12 THR HG2 . 11111 1 31 . 1 1 12 12 THR HG22 H 1 1.153 0.030 . 1 . . . . 12 THR HG2 . 11111 1 32 . 1 1 12 12 THR HG23 H 1 1.153 0.030 . 1 . . . . 12 THR HG2 . 11111 1 33 . 1 1 12 12 THR C C 13 174.852 0.300 . 1 . . . . 12 THR C . 11111 1 34 . 1 1 12 12 THR CA C 13 61.962 0.300 . 1 . . . . 12 THR CA . 11111 1 35 . 1 1 12 12 THR CB C 13 69.874 0.300 . 1 . . . . 12 THR CB . 11111 1 36 . 1 1 12 12 THR CG2 C 13 21.490 0.300 . 1 . . . . 12 THR CG2 . 11111 1 37 . 1 1 13 13 THR H H 1 8.117 0.030 . 1 . . . . 13 THR H . 11111 1 38 . 1 1 13 13 THR HA H 1 4.277 0.030 . 1 . . . . 13 THR HA . 11111 1 39 . 1 1 13 13 THR HB H 1 4.104 0.030 . 1 . . . . 13 THR HB . 11111 1 40 . 1 1 13 13 THR HG21 H 1 1.118 0.030 . 1 . . . . 13 THR HG2 . 11111 1 41 . 1 1 13 13 THR HG22 H 1 1.118 0.030 . 1 . . . . 13 THR HG2 . 11111 1 42 . 1 1 13 13 THR HG23 H 1 1.118 0.030 . 1 . . . . 13 THR HG2 . 11111 1 43 . 1 1 13 13 THR C C 13 173.983 0.300 . 1 . . . . 13 THR C . 11111 1 44 . 1 1 13 13 THR CA C 13 61.969 0.300 . 1 . . . . 13 THR CA . 11111 1 45 . 1 1 13 13 THR CB C 13 69.768 0.300 . 1 . . . . 13 THR CB . 11111 1 46 . 1 1 13 13 THR CG2 C 13 21.353 0.300 . 1 . . . . 13 THR CG2 . 11111 1 47 . 1 1 13 13 THR N N 15 116.290 0.300 . 1 . . . . 13 THR N . 11111 1 48 . 1 1 14 14 PHE H H 1 8.171 0.030 . 1 . . . . 14 PHE H . 11111 1 49 . 1 1 14 14 PHE HA H 1 4.691 0.030 . 1 . . . . 14 PHE HA . 11111 1 50 . 1 1 14 14 PHE HB2 H 1 2.935 0.030 . 2 . . . . 14 PHE HB2 . 11111 1 51 . 1 1 14 14 PHE HB3 H 1 3.156 0.030 . 2 . . . . 14 PHE HB3 . 11111 1 52 . 1 1 14 14 PHE HD1 H 1 7.213 0.030 . 1 . . . . 14 PHE HD1 . 11111 1 53 . 1 1 14 14 PHE HD2 H 1 7.213 0.030 . 1 . . . . 14 PHE HD2 . 11111 1 54 . 1 1 14 14 PHE HE1 H 1 7.311 0.030 . 1 . . . . 14 PHE HE1 . 11111 1 55 . 1 1 14 14 PHE HE2 H 1 7.311 0.030 . 1 . . . . 14 PHE HE2 . 11111 1 56 . 1 1 14 14 PHE HZ H 1 7.270 0.030 . 1 . . . . 14 PHE HZ . 11111 1 57 . 1 1 14 14 PHE C C 13 175.215 0.300 . 1 . . . . 14 PHE C . 11111 1 58 . 1 1 14 14 PHE CA C 13 57.428 0.300 . 1 . . . . 14 PHE CA . 11111 1 59 . 1 1 14 14 PHE CB C 13 39.652 0.300 . 1 . . . . 14 PHE CB . 11111 1 60 . 1 1 14 14 PHE CD1 C 13 131.846 0.300 . 1 . . . . 14 PHE CD1 . 11111 1 61 . 1 1 14 14 PHE CD2 C 13 131.846 0.300 . 1 . . . . 14 PHE CD2 . 11111 1 62 . 1 1 14 14 PHE CE1 C 13 131.375 0.300 . 1 . . . . 14 PHE CE1 . 11111 1 63 . 1 1 14 14 PHE CE2 C 13 131.375 0.300 . 1 . . . . 14 PHE CE2 . 11111 1 64 . 1 1 14 14 PHE CZ C 13 129.853 0.300 . 1 . . . . 14 PHE CZ . 11111 1 65 . 1 1 14 14 PHE N N 15 122.281 0.300 . 1 . . . . 14 PHE N . 11111 1 66 . 1 1 15 15 GLU H H 1 8.196 0.030 . 1 . . . . 15 GLU H . 11111 1 67 . 1 1 15 15 GLU HA H 1 4.423 0.030 . 1 . . . . 15 GLU HA . 11111 1 68 . 1 1 15 15 GLU HB2 H 1 1.794 0.030 . 2 . . . . 15 GLU HB2 . 11111 1 69 . 1 1 15 15 GLU HB3 H 1 1.980 0.030 . 2 . . . . 15 GLU HB3 . 11111 1 70 . 1 1 15 15 GLU HG2 H 1 2.324 0.030 . 2 . . . . 15 GLU HG2 . 11111 1 71 . 1 1 15 15 GLU HG3 H 1 2.177 0.030 . 2 . . . . 15 GLU HG3 . 11111 1 72 . 1 1 15 15 GLU C C 13 175.155 0.300 . 1 . . . . 15 GLU C . 11111 1 73 . 1 1 15 15 GLU CA C 13 56.241 0.300 . 1 . . . . 15 GLU CA . 11111 1 74 . 1 1 15 15 GLU CB C 13 31.309 0.300 . 1 . . . . 15 GLU CB . 11111 1 75 . 1 1 15 15 GLU CG C 13 36.884 0.300 . 1 . . . . 15 GLU CG . 11111 1 76 . 1 1 15 15 GLU N N 15 121.955 0.300 . 1 . . . . 15 GLU N . 11111 1 77 . 1 1 16 16 LEU H H 1 8.196 0.030 . 1 . . . . 16 LEU H . 11111 1 78 . 1 1 16 16 LEU HA H 1 4.623 0.030 . 1 . . . . 16 LEU HA . 11111 1 79 . 1 1 16 16 LEU HB2 H 1 1.503 0.030 . 2 . . . . 16 LEU HB2 . 11111 1 80 . 1 1 16 16 LEU HB3 H 1 1.690 0.030 . 2 . . . . 16 LEU HB3 . 11111 1 81 . 1 1 16 16 LEU HD11 H 1 0.870 0.030 . 1 . . . . 16 LEU HD1 . 11111 1 82 . 1 1 16 16 LEU HD12 H 1 0.870 0.030 . 1 . . . . 16 LEU HD1 . 11111 1 83 . 1 1 16 16 LEU HD13 H 1 0.870 0.030 . 1 . . . . 16 LEU HD1 . 11111 1 84 . 1 1 16 16 LEU HD21 H 1 0.882 0.030 . 1 . . . . 16 LEU HD2 . 11111 1 85 . 1 1 16 16 LEU HD22 H 1 0.882 0.030 . 1 . . . . 16 LEU HD2 . 11111 1 86 . 1 1 16 16 LEU HD23 H 1 0.882 0.030 . 1 . . . . 16 LEU HD2 . 11111 1 87 . 1 1 16 16 LEU HG H 1 1.602 0.030 . 1 . . . . 16 LEU HG . 11111 1 88 . 1 1 16 16 LEU C C 13 176.609 0.300 . 1 . . . . 16 LEU C . 11111 1 89 . 1 1 16 16 LEU CA C 13 53.870 0.300 . 1 . . . . 16 LEU CA . 11111 1 90 . 1 1 16 16 LEU CB C 13 44.999 0.300 . 1 . . . . 16 LEU CB . 11111 1 91 . 1 1 16 16 LEU CD1 C 13 25.596 0.300 . 2 . . . . 16 LEU CD1 . 11111 1 92 . 1 1 16 16 LEU CD2 C 13 23.593 0.300 . 2 . . . . 16 LEU CD2 . 11111 1 93 . 1 1 16 16 LEU CG C 13 26.948 0.300 . 1 . . . . 16 LEU CG . 11111 1 94 . 1 1 16 16 LEU N N 15 121.730 0.300 . 1 . . . . 16 LEU N . 11111 1 95 . 1 1 17 17 VAL H H 1 7.548 0.030 . 1 . . . . 17 VAL H . 11111 1 96 . 1 1 17 17 VAL HA H 1 4.329 0.030 . 1 . . . . 17 VAL HA . 11111 1 97 . 1 1 17 17 VAL HB H 1 1.971 0.030 . 1 . . . . 17 VAL HB . 11111 1 98 . 1 1 17 17 VAL HG11 H 1 0.796 0.030 . 1 . . . . 17 VAL HG1 . 11111 1 99 . 1 1 17 17 VAL HG12 H 1 0.796 0.030 . 1 . . . . 17 VAL HG1 . 11111 1 100 . 1 1 17 17 VAL HG13 H 1 0.796 0.030 . 1 . . . . 17 VAL HG1 . 11111 1 101 . 1 1 17 17 VAL HG21 H 1 0.796 0.030 . 1 . . . . 17 VAL HG2 . 11111 1 102 . 1 1 17 17 VAL HG22 H 1 0.796 0.030 . 1 . . . . 17 VAL HG2 . 11111 1 103 . 1 1 17 17 VAL HG23 H 1 0.796 0.030 . 1 . . . . 17 VAL HG2 . 11111 1 104 . 1 1 17 17 VAL C C 13 173.031 0.300 . 1 . . . . 17 VAL C . 11111 1 105 . 1 1 17 17 VAL CA C 13 60.848 0.300 . 1 . . . . 17 VAL CA . 11111 1 106 . 1 1 17 17 VAL CB C 13 30.204 0.300 . 1 . . . . 17 VAL CB . 11111 1 107 . 1 1 17 17 VAL CG1 C 13 21.726 0.300 . 2 . . . . 17 VAL CG1 . 11111 1 108 . 1 1 17 17 VAL CG2 C 13 18.653 0.300 . 2 . . . . 17 VAL CG2 . 11111 1 109 . 1 1 17 17 VAL N N 15 115.163 0.300 . 1 . . . . 17 VAL N . 11111 1 110 . 1 1 18 18 PRO HA H 1 4.591 0.030 . 1 . . . . 18 PRO HA . 11111 1 111 . 1 1 18 18 PRO HB2 H 1 1.793 0.030 . 2 . . . . 18 PRO HB2 . 11111 1 112 . 1 1 18 18 PRO HB3 H 1 2.419 0.030 . 2 . . . . 18 PRO HB3 . 11111 1 113 . 1 1 18 18 PRO HD2 H 1 3.142 0.030 . 2 . . . . 18 PRO HD2 . 11111 1 114 . 1 1 18 18 PRO HD3 H 1 3.715 0.030 . 2 . . . . 18 PRO HD3 . 11111 1 115 . 1 1 18 18 PRO HG2 H 1 2.047 0.030 . 2 . . . . 18 PRO HG2 . 11111 1 116 . 1 1 18 18 PRO HG3 H 1 1.580 0.030 . 2 . . . . 18 PRO HG3 . 11111 1 117 . 1 1 18 18 PRO C C 13 177.438 0.300 . 1 . . . . 18 PRO C . 11111 1 118 . 1 1 18 18 PRO CA C 13 63.896 0.300 . 1 . . . . 18 PRO CA . 11111 1 119 . 1 1 18 18 PRO CB C 13 31.888 0.300 . 1 . . . . 18 PRO CB . 11111 1 120 . 1 1 18 18 PRO CD C 13 50.696 0.300 . 1 . . . . 18 PRO CD . 11111 1 121 . 1 1 18 18 PRO CG C 13 27.768 0.300 . 1 . . . . 18 PRO CG . 11111 1 122 . 1 1 19 19 THR H H 1 8.263 0.030 . 1 . . . . 19 THR H . 11111 1 123 . 1 1 19 19 THR HA H 1 4.455 0.030 . 1 . . . . 19 THR HA . 11111 1 124 . 1 1 19 19 THR HB H 1 4.733 0.030 . 1 . . . . 19 THR HB . 11111 1 125 . 1 1 19 19 THR HG21 H 1 1.142 0.030 . 1 . . . . 19 THR HG2 . 11111 1 126 . 1 1 19 19 THR HG22 H 1 1.142 0.030 . 1 . . . . 19 THR HG2 . 11111 1 127 . 1 1 19 19 THR HG23 H 1 1.142 0.030 . 1 . . . . 19 THR HG2 . 11111 1 128 . 1 1 19 19 THR C C 13 173.418 0.300 . 1 . . . . 19 THR C . 11111 1 129 . 1 1 19 19 THR CA C 13 60.746 0.300 . 1 . . . . 19 THR CA . 11111 1 130 . 1 1 19 19 THR CB C 13 68.636 0.300 . 1 . . . . 19 THR CB . 11111 1 131 . 1 1 19 19 THR CG2 C 13 21.917 0.300 . 1 . . . . 19 THR CG2 . 11111 1 132 . 1 1 19 19 THR N N 15 108.939 0.300 . 1 . . . . 19 THR N . 11111 1 133 . 1 1 20 20 SER H H 1 7.689 0.030 . 1 . . . . 20 SER H . 11111 1 134 . 1 1 20 20 SER HA H 1 4.953 0.030 . 1 . . . . 20 SER HA . 11111 1 135 . 1 1 20 20 SER HB2 H 1 3.659 0.030 . 2 . . . . 20 SER HB2 . 11111 1 136 . 1 1 20 20 SER HB3 H 1 4.330 0.030 . 2 . . . . 20 SER HB3 . 11111 1 137 . 1 1 20 20 SER C C 13 171.184 0.300 . 1 . . . . 20 SER C . 11111 1 138 . 1 1 20 20 SER CA C 13 57.182 0.300 . 1 . . . . 20 SER CA . 11111 1 139 . 1 1 20 20 SER CB C 13 64.265 0.300 . 1 . . . . 20 SER CB . 11111 1 140 . 1 1 20 20 SER N N 15 116.493 0.300 . 1 . . . . 20 SER N . 11111 1 141 . 1 1 21 21 PRO HA H 1 5.108 0.030 . 1 . . . . 21 PRO HA . 11111 1 142 . 1 1 21 21 PRO HB2 H 1 1.973 0.030 . 2 . . . . 21 PRO HB2 . 11111 1 143 . 1 1 21 21 PRO HB3 H 1 1.877 0.030 . 2 . . . . 21 PRO HB3 . 11111 1 144 . 1 1 21 21 PRO HD2 H 1 3.906 0.030 . 2 . . . . 21 PRO HD2 . 11111 1 145 . 1 1 21 21 PRO HD3 H 1 3.805 0.030 . 2 . . . . 21 PRO HD3 . 11111 1 146 . 1 1 21 21 PRO HG2 H 1 1.973 0.030 . 2 . . . . 21 PRO HG2 . 11111 1 147 . 1 1 21 21 PRO HG3 H 1 2.041 0.030 . 2 . . . . 21 PRO HG3 . 11111 1 148 . 1 1 21 21 PRO CA C 13 61.300 0.300 . 1 . . . . 21 PRO CA . 11111 1 149 . 1 1 21 21 PRO CB C 13 30.059 0.300 . 1 . . . . 21 PRO CB . 11111 1 150 . 1 1 21 21 PRO CD C 13 50.765 0.300 . 1 . . . . 21 PRO CD . 11111 1 151 . 1 1 21 21 PRO CG C 13 26.681 0.300 . 1 . . . . 21 PRO CG . 11111 1 152 . 1 1 22 22 PRO HA H 1 4.364 0.030 . 1 . . . . 22 PRO HA . 11111 1 153 . 1 1 22 22 PRO HB2 H 1 1.456 0.030 . 2 . . . . 22 PRO HB2 . 11111 1 154 . 1 1 22 22 PRO HB3 H 1 2.489 0.030 . 2 . . . . 22 PRO HB3 . 11111 1 155 . 1 1 22 22 PRO HD2 H 1 3.489 0.030 . 2 . . . . 22 PRO HD2 . 11111 1 156 . 1 1 22 22 PRO HD3 H 1 4.328 0.030 . 2 . . . . 22 PRO HD3 . 11111 1 157 . 1 1 22 22 PRO HG2 H 1 1.767 0.030 . 2 . . . . 22 PRO HG2 . 11111 1 158 . 1 1 22 22 PRO HG3 H 1 1.723 0.030 . 2 . . . . 22 PRO HG3 . 11111 1 159 . 1 1 22 22 PRO C C 13 173.842 0.300 . 1 . . . . 22 PRO C . 11111 1 160 . 1 1 22 22 PRO CA C 13 63.601 0.300 . 1 . . . . 22 PRO CA . 11111 1 161 . 1 1 22 22 PRO CB C 13 31.715 0.300 . 1 . . . . 22 PRO CB . 11111 1 162 . 1 1 22 22 PRO CD C 13 50.141 0.300 . 1 . . . . 22 PRO CD . 11111 1 163 . 1 1 22 22 PRO CG C 13 29.479 0.300 . 1 . . . . 22 PRO CG . 11111 1 164 . 1 1 23 23 LYS H H 1 7.920 0.030 . 1 . . . . 23 LYS H . 11111 1 165 . 1 1 23 23 LYS HA H 1 4.660 0.030 . 1 . . . . 23 LYS HA . 11111 1 166 . 1 1 23 23 LYS HB2 H 1 1.743 0.030 . 2 . . . . 23 LYS HB2 . 11111 1 167 . 1 1 23 23 LYS HB3 H 1 1.598 0.030 . 2 . . . . 23 LYS HB3 . 11111 1 168 . 1 1 23 23 LYS HD2 H 1 1.774 0.030 . 2 . . . . 23 LYS HD2 . 11111 1 169 . 1 1 23 23 LYS HD3 H 1 1.696 0.030 . 2 . . . . 23 LYS HD3 . 11111 1 170 . 1 1 23 23 LYS HE2 H 1 3.061 0.030 . 2 . . . . 23 LYS HE2 . 11111 1 171 . 1 1 23 23 LYS HE3 H 1 3.008 0.030 . 2 . . . . 23 LYS HE3 . 11111 1 172 . 1 1 23 23 LYS HG2 H 1 1.401 0.030 . 2 . . . . 23 LYS HG2 . 11111 1 173 . 1 1 23 23 LYS HG3 H 1 1.547 0.030 . 2 . . . . 23 LYS HG3 . 11111 1 174 . 1 1 23 23 LYS C C 13 174.569 0.300 . 1 . . . . 23 LYS C . 11111 1 175 . 1 1 23 23 LYS CA C 13 54.870 0.300 . 1 . . . . 23 LYS CA . 11111 1 176 . 1 1 23 23 LYS CB C 13 36.326 0.300 . 1 . . . . 23 LYS CB . 11111 1 177 . 1 1 23 23 LYS CD C 13 29.247 0.300 . 1 . . . . 23 LYS CD . 11111 1 178 . 1 1 23 23 LYS CE C 13 41.814 0.300 . 1 . . . . 23 LYS CE . 11111 1 179 . 1 1 23 23 LYS CG C 13 24.640 0.300 . 1 . . . . 23 LYS CG . 11111 1 180 . 1 1 23 23 LYS N N 15 119.300 0.300 . 1 . . . . 23 LYS N . 11111 1 181 . 1 1 24 24 ASP H H 1 8.613 0.030 . 1 . . . . 24 ASP H . 11111 1 182 . 1 1 24 24 ASP HA H 1 4.186 0.030 . 1 . . . . 24 ASP HA . 11111 1 183 . 1 1 24 24 ASP HB2 H 1 2.493 0.030 . 2 . . . . 24 ASP HB2 . 11111 1 184 . 1 1 24 24 ASP HB3 H 1 2.779 0.030 . 2 . . . . 24 ASP HB3 . 11111 1 185 . 1 1 24 24 ASP C C 13 174.589 0.300 . 1 . . . . 24 ASP C . 11111 1 186 . 1 1 24 24 ASP CA C 13 54.996 0.300 . 1 . . . . 24 ASP CA . 11111 1 187 . 1 1 24 24 ASP CB C 13 39.400 0.300 . 1 . . . . 24 ASP CB . 11111 1 188 . 1 1 24 24 ASP N N 15 117.333 0.300 . 1 . . . . 24 ASP N . 11111 1 189 . 1 1 25 25 VAL H H 1 8.026 0.030 . 1 . . . . 25 VAL H . 11111 1 190 . 1 1 25 25 VAL HA H 1 4.593 0.030 . 1 . . . . 25 VAL HA . 11111 1 191 . 1 1 25 25 VAL HB H 1 2.101 0.030 . 1 . . . . 25 VAL HB . 11111 1 192 . 1 1 25 25 VAL HG11 H 1 0.824 0.030 . 1 . . . . 25 VAL HG1 . 11111 1 193 . 1 1 25 25 VAL HG12 H 1 0.824 0.030 . 1 . . . . 25 VAL HG1 . 11111 1 194 . 1 1 25 25 VAL HG13 H 1 0.824 0.030 . 1 . . . . 25 VAL HG1 . 11111 1 195 . 1 1 25 25 VAL HG21 H 1 0.906 0.030 . 1 . . . . 25 VAL HG2 . 11111 1 196 . 1 1 25 25 VAL HG22 H 1 0.906 0.030 . 1 . . . . 25 VAL HG2 . 11111 1 197 . 1 1 25 25 VAL HG23 H 1 0.906 0.030 . 1 . . . . 25 VAL HG2 . 11111 1 198 . 1 1 25 25 VAL C C 13 177.559 0.300 . 1 . . . . 25 VAL C . 11111 1 199 . 1 1 25 25 VAL CA C 13 63.779 0.300 . 1 . . . . 25 VAL CA . 11111 1 200 . 1 1 25 25 VAL CB C 13 31.404 0.300 . 1 . . . . 25 VAL CB . 11111 1 201 . 1 1 25 25 VAL CG1 C 13 20.812 0.300 . 2 . . . . 25 VAL CG1 . 11111 1 202 . 1 1 25 25 VAL CG2 C 13 20.711 0.300 . 2 . . . . 25 VAL CG2 . 11111 1 203 . 1 1 25 25 VAL N N 15 118.948 0.300 . 1 . . . . 25 VAL N . 11111 1 204 . 1 1 26 26 THR H H 1 9.415 0.030 . 1 . . . . 26 THR H . 11111 1 205 . 1 1 26 26 THR HA H 1 4.675 0.030 . 1 . . . . 26 THR HA . 11111 1 206 . 1 1 26 26 THR HB H 1 4.051 0.030 . 1 . . . . 26 THR HB . 11111 1 207 . 1 1 26 26 THR HG21 H 1 1.127 0.030 . 1 . . . . 26 THR HG2 . 11111 1 208 . 1 1 26 26 THR HG22 H 1 1.127 0.030 . 1 . . . . 26 THR HG2 . 11111 1 209 . 1 1 26 26 THR HG23 H 1 1.127 0.030 . 1 . . . . 26 THR HG2 . 11111 1 210 . 1 1 26 26 THR C C 13 172.145 0.300 . 1 . . . . 26 THR C . 11111 1 211 . 1 1 26 26 THR CA C 13 60.603 0.300 . 1 . . . . 26 THR CA . 11111 1 212 . 1 1 26 26 THR CB C 13 72.892 0.300 . 1 . . . . 26 THR CB . 11111 1 213 . 1 1 26 26 THR CG2 C 13 21.328 0.300 . 1 . . . . 26 THR CG2 . 11111 1 214 . 1 1 26 26 THR N N 15 121.230 0.300 . 1 . . . . 26 THR N . 11111 1 215 . 1 1 27 27 VAL H H 1 8.233 0.030 . 1 . . . . 27 VAL H . 11111 1 216 . 1 1 27 27 VAL HA H 1 4.523 0.030 . 1 . . . . 27 VAL HA . 11111 1 217 . 1 1 27 27 VAL HB H 1 1.262 0.030 . 1 . . . . 27 VAL HB . 11111 1 218 . 1 1 27 27 VAL HG11 H 1 -0.384 0.030 . 1 . . . . 27 VAL HG1 . 11111 1 219 . 1 1 27 27 VAL HG12 H 1 -0.384 0.030 . 1 . . . . 27 VAL HG1 . 11111 1 220 . 1 1 27 27 VAL HG13 H 1 -0.384 0.030 . 1 . . . . 27 VAL HG1 . 11111 1 221 . 1 1 27 27 VAL HG21 H 1 0.235 0.030 . 1 . . . . 27 VAL HG2 . 11111 1 222 . 1 1 27 27 VAL HG22 H 1 0.235 0.030 . 1 . . . . 27 VAL HG2 . 11111 1 223 . 1 1 27 27 VAL HG23 H 1 0.235 0.030 . 1 . . . . 27 VAL HG2 . 11111 1 224 . 1 1 27 27 VAL C C 13 173.620 0.300 . 1 . . . . 27 VAL C . 11111 1 225 . 1 1 27 27 VAL CA C 13 60.890 0.300 . 1 . . . . 27 VAL CA . 11111 1 226 . 1 1 27 27 VAL CB C 13 34.425 0.300 . 1 . . . . 27 VAL CB . 11111 1 227 . 1 1 27 27 VAL CG1 C 13 22.145 0.300 . 2 . . . . 27 VAL CG1 . 11111 1 228 . 1 1 27 27 VAL CG2 C 13 20.357 0.300 . 2 . . . . 27 VAL CG2 . 11111 1 229 . 1 1 27 27 VAL N N 15 122.581 0.300 . 1 . . . . 27 VAL N . 11111 1 230 . 1 1 28 28 VAL H H 1 8.162 0.030 . 1 . . . . 28 VAL H . 11111 1 231 . 1 1 28 28 VAL HA H 1 4.372 0.030 . 1 . . . . 28 VAL HA . 11111 1 232 . 1 1 28 28 VAL HB H 1 2.065 0.030 . 1 . . . . 28 VAL HB . 11111 1 233 . 1 1 28 28 VAL HG11 H 1 0.826 0.030 . 1 . . . . 28 VAL HG1 . 11111 1 234 . 1 1 28 28 VAL HG12 H 1 0.826 0.030 . 1 . . . . 28 VAL HG1 . 11111 1 235 . 1 1 28 28 VAL HG13 H 1 0.826 0.030 . 1 . . . . 28 VAL HG1 . 11111 1 236 . 1 1 28 28 VAL HG21 H 1 0.705 0.030 . 1 . . . . 28 VAL HG2 . 11111 1 237 . 1 1 28 28 VAL HG22 H 1 0.705 0.030 . 1 . . . . 28 VAL HG2 . 11111 1 238 . 1 1 28 28 VAL HG23 H 1 0.705 0.030 . 1 . . . . 28 VAL HG2 . 11111 1 239 . 1 1 28 28 VAL C C 13 174.327 0.300 . 1 . . . . 28 VAL C . 11111 1 240 . 1 1 28 28 VAL CA C 13 59.046 0.300 . 1 . . . . 28 VAL CA . 11111 1 241 . 1 1 28 28 VAL CB C 13 36.186 0.300 . 1 . . . . 28 VAL CB . 11111 1 242 . 1 1 28 28 VAL CG1 C 13 21.212 0.300 . 2 . . . . 28 VAL CG1 . 11111 1 243 . 1 1 28 28 VAL CG2 C 13 19.457 0.300 . 2 . . . . 28 VAL CG2 . 11111 1 244 . 1 1 28 28 VAL N N 15 118.715 0.300 . 1 . . . . 28 VAL N . 11111 1 245 . 1 1 29 29 SER H H 1 8.482 0.030 . 1 . . . . 29 SER H . 11111 1 246 . 1 1 29 29 SER HA H 1 4.503 0.030 . 1 . . . . 29 SER HA . 11111 1 247 . 1 1 29 29 SER HB2 H 1 3.885 0.030 . 2 . . . . 29 SER HB2 . 11111 1 248 . 1 1 29 29 SER HB3 H 1 3.829 0.030 . 2 . . . . 29 SER HB3 . 11111 1 249 . 1 1 29 29 SER C C 13 174.529 0.300 . 1 . . . . 29 SER C . 11111 1 250 . 1 1 29 29 SER CA C 13 59.151 0.300 . 1 . . . . 29 SER CA . 11111 1 251 . 1 1 29 29 SER CB C 13 64.418 0.300 . 1 . . . . 29 SER CB . 11111 1 252 . 1 1 29 29 SER N N 15 117.110 0.300 . 1 . . . . 29 SER N . 11111 1 253 . 1 1 30 30 LYS H H 1 7.646 0.030 . 1 . . . . 30 LYS H . 11111 1 254 . 1 1 30 30 LYS HA H 1 4.079 0.030 . 1 . . . . 30 LYS HA . 11111 1 255 . 1 1 30 30 LYS HB2 H 1 1.115 0.030 . 2 . . . . 30 LYS HB2 . 11111 1 256 . 1 1 30 30 LYS HB3 H 1 2.003 0.030 . 2 . . . . 30 LYS HB3 . 11111 1 257 . 1 1 30 30 LYS HD2 H 1 1.549 0.030 . 2 . . . . 30 LYS HD2 . 11111 1 258 . 1 1 30 30 LYS HD3 H 1 1.465 0.030 . 2 . . . . 30 LYS HD3 . 11111 1 259 . 1 1 30 30 LYS HE2 H 1 2.965 0.030 . 2 . . . . 30 LYS HE2 . 11111 1 260 . 1 1 30 30 LYS HE3 H 1 2.937 0.030 . 2 . . . . 30 LYS HE3 . 11111 1 261 . 1 1 30 30 LYS HG2 H 1 1.298 0.030 . 2 . . . . 30 LYS HG2 . 11111 1 262 . 1 1 30 30 LYS HG3 H 1 1.275 0.030 . 2 . . . . 30 LYS HG3 . 11111 1 263 . 1 1 30 30 LYS C C 13 176.003 0.300 . 1 . . . . 30 LYS C . 11111 1 264 . 1 1 30 30 LYS CA C 13 55.829 0.300 . 1 . . . . 30 LYS CA . 11111 1 265 . 1 1 30 30 LYS CB C 13 33.472 0.300 . 1 . . . . 30 LYS CB . 11111 1 266 . 1 1 30 30 LYS CD C 13 29.917 0.300 . 1 . . . . 30 LYS CD . 11111 1 267 . 1 1 30 30 LYS CE C 13 42.325 0.300 . 1 . . . . 30 LYS CE . 11111 1 268 . 1 1 30 30 LYS CG C 13 25.110 0.300 . 1 . . . . 30 LYS CG . 11111 1 269 . 1 1 30 30 LYS N N 15 126.206 0.300 . 1 . . . . 30 LYS N . 11111 1 270 . 1 1 31 31 GLU H H 1 8.847 0.030 . 1 . . . . 31 GLU H . 11111 1 271 . 1 1 31 31 GLU HA H 1 3.942 0.030 . 1 . . . . 31 GLU HA . 11111 1 272 . 1 1 31 31 GLU HB2 H 1 1.985 0.030 . 2 . . . . 31 GLU HB2 . 11111 1 273 . 1 1 31 31 GLU HB3 H 1 1.904 0.030 . 2 . . . . 31 GLU HB3 . 11111 1 274 . 1 1 31 31 GLU HG2 H 1 2.241 0.030 . 1 . . . . 31 GLU HG2 . 11111 1 275 . 1 1 31 31 GLU HG3 H 1 2.241 0.030 . 1 . . . . 31 GLU HG3 . 11111 1 276 . 1 1 31 31 GLU C C 13 177.498 0.300 . 1 . . . . 31 GLU C . 11111 1 277 . 1 1 31 31 GLU CA C 13 58.659 0.300 . 1 . . . . 31 GLU CA . 11111 1 278 . 1 1 31 31 GLU CB C 13 29.137 0.300 . 1 . . . . 31 GLU CB . 11111 1 279 . 1 1 31 31 GLU CG C 13 35.847 0.300 . 1 . . . . 31 GLU CG . 11111 1 280 . 1 1 31 31 GLU N N 15 131.515 0.300 . 1 . . . . 31 GLU N . 11111 1 281 . 1 1 32 32 GLY H H 1 8.805 0.030 . 1 . . . . 32 GLY H . 11111 1 282 . 1 1 32 32 GLY HA2 H 1 3.779 0.030 . 2 . . . . 32 GLY HA2 . 11111 1 283 . 1 1 32 32 GLY HA3 H 1 4.191 0.030 . 2 . . . . 32 GLY HA3 . 11111 1 284 . 1 1 32 32 GLY C C 13 173.923 0.300 . 1 . . . . 32 GLY C . 11111 1 285 . 1 1 32 32 GLY CA C 13 45.578 0.300 . 1 . . . . 32 GLY CA . 11111 1 286 . 1 1 32 32 GLY N N 15 114.251 0.300 . 1 . . . . 32 GLY N . 11111 1 287 . 1 1 33 33 LYS H H 1 7.657 0.030 . 1 . . . . 33 LYS H . 11111 1 288 . 1 1 33 33 LYS HA H 1 4.949 0.030 . 1 . . . . 33 LYS HA . 11111 1 289 . 1 1 33 33 LYS HB2 H 1 1.464 0.030 . 2 . . . . 33 LYS HB2 . 11111 1 290 . 1 1 33 33 LYS HB3 H 1 1.811 0.030 . 2 . . . . 33 LYS HB3 . 11111 1 291 . 1 1 33 33 LYS HD2 H 1 1.617 0.030 . 2 . . . . 33 LYS HD2 . 11111 1 292 . 1 1 33 33 LYS HD3 H 1 1.767 0.030 . 2 . . . . 33 LYS HD3 . 11111 1 293 . 1 1 33 33 LYS HE2 H 1 2.981 0.030 . 2 . . . . 33 LYS HE2 . 11111 1 294 . 1 1 33 33 LYS HG2 H 1 1.333 0.030 . 2 . . . . 33 LYS HG2 . 11111 1 295 . 1 1 33 33 LYS HG3 H 1 1.302 0.030 . 2 . . . . 33 LYS HG3 . 11111 1 296 . 1 1 33 33 LYS C C 13 172.727 0.300 . 1 . . . . 33 LYS C . 11111 1 297 . 1 1 33 33 LYS CA C 13 52.720 0.300 . 1 . . . . 33 LYS CA . 11111 1 298 . 1 1 33 33 LYS CB C 13 33.121 0.300 . 1 . . . . 33 LYS CB . 11111 1 299 . 1 1 33 33 LYS CD C 13 28.898 0.300 . 1 . . . . 33 LYS CD . 11111 1 300 . 1 1 33 33 LYS CE C 13 42.635 0.300 . 1 . . . . 33 LYS CE . 11111 1 301 . 1 1 33 33 LYS CG C 13 23.924 0.300 . 1 . . . . 33 LYS CG . 11111 1 302 . 1 1 33 33 LYS N N 15 120.458 0.300 . 1 . . . . 33 LYS N . 11111 1 303 . 1 1 34 34 PRO HA H 1 4.405 0.030 . 1 . . . . 34 PRO HA . 11111 1 304 . 1 1 34 34 PRO HB2 H 1 1.917 0.030 . 2 . . . . 34 PRO HB2 . 11111 1 305 . 1 1 34 34 PRO HB3 H 1 2.250 0.030 . 2 . . . . 34 PRO HB3 . 11111 1 306 . 1 1 34 34 PRO HD2 H 1 3.391 0.030 . 2 . . . . 34 PRO HD2 . 11111 1 307 . 1 1 34 34 PRO HD3 H 1 3.833 0.030 . 2 . . . . 34 PRO HD3 . 11111 1 308 . 1 1 34 34 PRO HG2 H 1 2.025 0.030 . 2 . . . . 34 PRO HG2 . 11111 1 309 . 1 1 34 34 PRO HG3 H 1 1.903 0.030 . 2 . . . . 34 PRO HG3 . 11111 1 310 . 1 1 34 34 PRO C C 13 177.054 0.300 . 1 . . . . 34 PRO C . 11111 1 311 . 1 1 34 34 PRO CA C 13 64.949 0.300 . 1 . . . . 34 PRO CA . 11111 1 312 . 1 1 34 34 PRO CB C 13 32.268 0.300 . 1 . . . . 34 PRO CB . 11111 1 313 . 1 1 34 34 PRO CD C 13 49.958 0.300 . 1 . . . . 34 PRO CD . 11111 1 314 . 1 1 34 34 PRO CG C 13 27.309 0.300 . 1 . . . . 34 PRO CG . 11111 1 315 . 1 1 35 35 LYS H H 1 8.107 0.030 . 1 . . . . 35 LYS H . 11111 1 316 . 1 1 35 35 LYS HA H 1 4.179 0.030 . 1 . . . . 35 LYS HA . 11111 1 317 . 1 1 35 35 LYS HB2 H 1 1.840 0.030 . 2 . . . . 35 LYS HB2 . 11111 1 318 . 1 1 35 35 LYS HB3 H 1 2.262 0.030 . 2 . . . . 35 LYS HB3 . 11111 1 319 . 1 1 35 35 LYS HD2 H 1 1.724 0.030 . 1 . . . . 35 LYS HD2 . 11111 1 320 . 1 1 35 35 LYS HD3 H 1 1.724 0.030 . 1 . . . . 35 LYS HD3 . 11111 1 321 . 1 1 35 35 LYS HG2 H 1 1.416 0.030 . 2 . . . . 35 LYS HG2 . 11111 1 322 . 1 1 35 35 LYS HG3 H 1 1.366 0.030 . 2 . . . . 35 LYS HG3 . 11111 1 323 . 1 1 35 35 LYS C C 13 174.912 0.300 . 1 . . . . 35 LYS C . 11111 1 324 . 1 1 35 35 LYS CA C 13 56.838 0.300 . 1 . . . . 35 LYS CA . 11111 1 325 . 1 1 35 35 LYS CB C 13 32.400 0.300 . 1 . . . . 35 LYS CB . 11111 1 326 . 1 1 35 35 LYS CD C 13 29.936 0.300 . 1 . . . . 35 LYS CD . 11111 1 327 . 1 1 35 35 LYS CE C 13 42.240 0.300 . 1 . . . . 35 LYS CE . 11111 1 328 . 1 1 35 35 LYS CG C 13 26.204 0.300 . 1 . . . . 35 LYS CG . 11111 1 329 . 1 1 35 35 LYS N N 15 116.731 0.300 . 1 . . . . 35 LYS N . 11111 1 330 . 1 1 36 36 THR H H 1 8.315 0.030 . 1 . . . . 36 THR H . 11111 1 331 . 1 1 36 36 THR HA H 1 5.282 0.030 . 1 . . . . 36 THR HA . 11111 1 332 . 1 1 36 36 THR HB H 1 4.145 0.030 . 1 . . . . 36 THR HB . 11111 1 333 . 1 1 36 36 THR HG21 H 1 0.996 0.030 . 1 . . . . 36 THR HG2 . 11111 1 334 . 1 1 36 36 THR HG22 H 1 0.996 0.030 . 1 . . . . 36 THR HG2 . 11111 1 335 . 1 1 36 36 THR HG23 H 1 0.996 0.030 . 1 . . . . 36 THR HG2 . 11111 1 336 . 1 1 36 36 THR C C 13 174.569 0.300 . 1 . . . . 36 THR C . 11111 1 337 . 1 1 36 36 THR CA C 13 61.368 0.300 . 1 . . . . 36 THR CA . 11111 1 338 . 1 1 36 36 THR CB C 13 70.323 0.300 . 1 . . . . 36 THR CB . 11111 1 339 . 1 1 36 36 THR CG2 C 13 22.913 0.300 . 1 . . . . 36 THR CG2 . 11111 1 340 . 1 1 36 36 THR N N 15 113.996 0.300 . 1 . . . . 36 THR N . 11111 1 341 . 1 1 37 37 ILE H H 1 8.817 0.030 . 1 . . . . 37 ILE H . 11111 1 342 . 1 1 37 37 ILE HA H 1 4.798 0.030 . 1 . . . . 37 ILE HA . 11111 1 343 . 1 1 37 37 ILE HB H 1 1.212 0.030 . 1 . . . . 37 ILE HB . 11111 1 344 . 1 1 37 37 ILE HD11 H 1 0.217 0.030 . 1 . . . . 37 ILE HD1 . 11111 1 345 . 1 1 37 37 ILE HD12 H 1 0.217 0.030 . 1 . . . . 37 ILE HD1 . 11111 1 346 . 1 1 37 37 ILE HD13 H 1 0.217 0.030 . 1 . . . . 37 ILE HD1 . 11111 1 347 . 1 1 37 37 ILE HG12 H 1 1.037 0.030 . 2 . . . . 37 ILE HG12 . 11111 1 348 . 1 1 37 37 ILE HG13 H 1 0.688 0.030 . 2 . . . . 37 ILE HG13 . 11111 1 349 . 1 1 37 37 ILE HG21 H 1 0.379 0.030 . 1 . . . . 37 ILE HG2 . 11111 1 350 . 1 1 37 37 ILE HG22 H 1 0.379 0.030 . 1 . . . . 37 ILE HG2 . 11111 1 351 . 1 1 37 37 ILE HG23 H 1 0.379 0.030 . 1 . . . . 37 ILE HG2 . 11111 1 352 . 1 1 37 37 ILE C C 13 173.862 0.300 . 1 . . . . 37 ILE C . 11111 1 353 . 1 1 37 37 ILE CA C 13 58.134 0.300 . 1 . . . . 37 ILE CA . 11111 1 354 . 1 1 37 37 ILE CB C 13 41.315 0.300 . 1 . . . . 37 ILE CB . 11111 1 355 . 1 1 37 37 ILE CD1 C 13 16.282 0.300 . 1 . . . . 37 ILE CD1 . 11111 1 356 . 1 1 37 37 ILE CG1 C 13 26.531 0.300 . 1 . . . . 37 ILE CG1 . 11111 1 357 . 1 1 37 37 ILE CG2 C 13 20.362 0.300 . 1 . . . . 37 ILE CG2 . 11111 1 358 . 1 1 37 37 ILE N N 15 122.520 0.300 . 1 . . . . 37 ILE N . 11111 1 359 . 1 1 38 38 ILE H H 1 8.813 0.030 . 1 . . . . 38 ILE H . 11111 1 360 . 1 1 38 38 ILE HA H 1 4.317 0.030 . 1 . . . . 38 ILE HA . 11111 1 361 . 1 1 38 38 ILE HB H 1 1.458 0.030 . 1 . . . . 38 ILE HB . 11111 1 362 . 1 1 38 38 ILE HD11 H 1 0.670 0.030 . 1 . . . . 38 ILE HD1 . 11111 1 363 . 1 1 38 38 ILE HD12 H 1 0.670 0.030 . 1 . . . . 38 ILE HD1 . 11111 1 364 . 1 1 38 38 ILE HD13 H 1 0.670 0.030 . 1 . . . . 38 ILE HD1 . 11111 1 365 . 1 1 38 38 ILE HG12 H 1 1.200 0.030 . 2 . . . . 38 ILE HG12 . 11111 1 366 . 1 1 38 38 ILE HG13 H 1 0.813 0.030 . 2 . . . . 38 ILE HG13 . 11111 1 367 . 1 1 38 38 ILE HG21 H 1 0.632 0.030 . 1 . . . . 38 ILE HG2 . 11111 1 368 . 1 1 38 38 ILE HG22 H 1 0.632 0.030 . 1 . . . . 38 ILE HG2 . 11111 1 369 . 1 1 38 38 ILE HG23 H 1 0.632 0.030 . 1 . . . . 38 ILE HG2 . 11111 1 370 . 1 1 38 38 ILE C C 13 174.468 0.300 . 1 . . . . 38 ILE C . 11111 1 371 . 1 1 38 38 ILE CA C 13 60.442 0.300 . 1 . . . . 38 ILE CA . 11111 1 372 . 1 1 38 38 ILE CB C 13 39.458 0.300 . 1 . . . . 38 ILE CB . 11111 1 373 . 1 1 38 38 ILE CD1 C 13 13.706 0.300 . 1 . . . . 38 ILE CD1 . 11111 1 374 . 1 1 38 38 ILE CG1 C 13 27.540 0.300 . 1 . . . . 38 ILE CG1 . 11111 1 375 . 1 1 38 38 ILE CG2 C 13 18.026 0.300 . 1 . . . . 38 ILE CG2 . 11111 1 376 . 1 1 38 38 ILE N N 15 121.946 0.300 . 1 . . . . 38 ILE N . 11111 1 377 . 1 1 39 39 VAL H H 1 8.922 0.030 . 1 . . . . 39 VAL H . 11111 1 378 . 1 1 39 39 VAL HA H 1 4.780 0.030 . 1 . . . . 39 VAL HA . 11111 1 379 . 1 1 39 39 VAL HB H 1 1.966 0.030 . 1 . . . . 39 VAL HB . 11111 1 380 . 1 1 39 39 VAL HG11 H 1 0.941 0.030 . 1 . . . . 39 VAL HG1 . 11111 1 381 . 1 1 39 39 VAL HG12 H 1 0.941 0.030 . 1 . . . . 39 VAL HG1 . 11111 1 382 . 1 1 39 39 VAL HG13 H 1 0.941 0.030 . 1 . . . . 39 VAL HG1 . 11111 1 383 . 1 1 39 39 VAL HG21 H 1 0.536 0.030 . 1 . . . . 39 VAL HG2 . 11111 1 384 . 1 1 39 39 VAL HG22 H 1 0.536 0.030 . 1 . . . . 39 VAL HG2 . 11111 1 385 . 1 1 39 39 VAL HG23 H 1 0.536 0.030 . 1 . . . . 39 VAL HG2 . 11111 1 386 . 1 1 39 39 VAL C C 13 174.104 0.300 . 1 . . . . 39 VAL C . 11111 1 387 . 1 1 39 39 VAL CA C 13 59.957 0.300 . 1 . . . . 39 VAL CA . 11111 1 388 . 1 1 39 39 VAL CB C 13 33.660 0.300 . 1 . . . . 39 VAL CB . 11111 1 389 . 1 1 39 39 VAL CG1 C 13 21.738 0.300 . 2 . . . . 39 VAL CG1 . 11111 1 390 . 1 1 39 39 VAL CG2 C 13 21.859 0.300 . 2 . . . . 39 VAL CG2 . 11111 1 391 . 1 1 39 39 VAL N N 15 128.453 0.300 . 1 . . . . 39 VAL N . 11111 1 392 . 1 1 40 40 ASN H H 1 9.047 0.030 . 1 . . . . 40 ASN H . 11111 1 393 . 1 1 40 40 ASN HA H 1 5.454 0.030 . 1 . . . . 40 ASN HA . 11111 1 394 . 1 1 40 40 ASN HB2 H 1 2.588 0.030 . 2 . . . . 40 ASN HB2 . 11111 1 395 . 1 1 40 40 ASN HB3 H 1 2.555 0.030 . 2 . . . . 40 ASN HB3 . 11111 1 396 . 1 1 40 40 ASN HD21 H 1 7.223 0.030 . 2 . . . . 40 ASN HD21 . 11111 1 397 . 1 1 40 40 ASN HD22 H 1 6.312 0.030 . 2 . . . . 40 ASN HD22 . 11111 1 398 . 1 1 40 40 ASN C C 13 173.599 0.300 . 1 . . . . 40 ASN C . 11111 1 399 . 1 1 40 40 ASN CA C 13 52.593 0.300 . 1 . . . . 40 ASN CA . 11111 1 400 . 1 1 40 40 ASN CB C 13 43.355 0.300 . 1 . . . . 40 ASN CB . 11111 1 401 . 1 1 40 40 ASN N N 15 124.702 0.300 . 1 . . . . 40 ASN N . 11111 1 402 . 1 1 40 40 ASN ND2 N 15 113.405 0.300 . 1 . . . . 40 ASN ND2 . 11111 1 403 . 1 1 41 41 TRP H H 1 7.610 0.030 . 1 . . . . 41 TRP H . 11111 1 404 . 1 1 41 41 TRP HA H 1 5.000 0.030 . 1 . . . . 41 TRP HA . 11111 1 405 . 1 1 41 41 TRP HB2 H 1 3.010 0.030 . 2 . . . . 41 TRP HB2 . 11111 1 406 . 1 1 41 41 TRP HB3 H 1 3.391 0.030 . 2 . . . . 41 TRP HB3 . 11111 1 407 . 1 1 41 41 TRP HD1 H 1 6.396 0.030 . 1 . . . . 41 TRP HD1 . 11111 1 408 . 1 1 41 41 TRP HE1 H 1 6.028 0.030 . 1 . . . . 41 TRP HE1 . 11111 1 409 . 1 1 41 41 TRP HE3 H 1 6.794 0.030 . 1 . . . . 41 TRP HE3 . 11111 1 410 . 1 1 41 41 TRP HH2 H 1 6.556 0.030 . 1 . . . . 41 TRP HH2 . 11111 1 411 . 1 1 41 41 TRP HZ2 H 1 6.920 0.030 . 1 . . . . 41 TRP HZ2 . 11111 1 412 . 1 1 41 41 TRP HZ3 H 1 6.522 0.030 . 1 . . . . 41 TRP HZ3 . 11111 1 413 . 1 1 41 41 TRP C C 13 172.630 0.300 . 1 . . . . 41 TRP C . 11111 1 414 . 1 1 41 41 TRP CA C 13 57.314 0.300 . 1 . . . . 41 TRP CA . 11111 1 415 . 1 1 41 41 TRP CB C 13 30.719 0.300 . 1 . . . . 41 TRP CB . 11111 1 416 . 1 1 41 41 TRP CD1 C 13 125.084 0.300 . 1 . . . . 41 TRP CD1 . 11111 1 417 . 1 1 41 41 TRP CE3 C 13 121.025 0.300 . 1 . . . . 41 TRP CE3 . 11111 1 418 . 1 1 41 41 TRP CH2 C 13 122.823 0.300 . 1 . . . . 41 TRP CH2 . 11111 1 419 . 1 1 41 41 TRP CZ2 C 13 114.475 0.300 . 1 . . . . 41 TRP CZ2 . 11111 1 420 . 1 1 41 41 TRP CZ3 C 13 120.725 0.300 . 1 . . . . 41 TRP CZ3 . 11111 1 421 . 1 1 41 41 TRP N N 15 116.840 0.300 . 1 . . . . 41 TRP N . 11111 1 422 . 1 1 41 41 TRP NE1 N 15 124.576 0.300 . 1 . . . . 41 TRP NE1 . 11111 1 423 . 1 1 42 42 GLN H H 1 8.903 0.030 . 1 . . . . 42 GLN H . 11111 1 424 . 1 1 42 42 GLN HA H 1 4.850 0.030 . 1 . . . . 42 GLN HA . 11111 1 425 . 1 1 42 42 GLN HB2 H 1 1.564 0.030 . 2 . . . . 42 GLN HB2 . 11111 1 426 . 1 1 42 42 GLN HB3 H 1 2.259 0.030 . 2 . . . . 42 GLN HB3 . 11111 1 427 . 1 1 42 42 GLN HE21 H 1 7.523 0.030 . 2 . . . . 42 GLN HE21 . 11111 1 428 . 1 1 42 42 GLN HE22 H 1 6.758 0.030 . 2 . . . . 42 GLN HE22 . 11111 1 429 . 1 1 42 42 GLN HG2 H 1 2.546 0.030 . 2 . . . . 42 GLN HG2 . 11111 1 430 . 1 1 42 42 GLN HG3 H 1 2.315 0.030 . 2 . . . . 42 GLN HG3 . 11111 1 431 . 1 1 42 42 GLN C C 13 173.681 0.300 . 1 . . . . 42 GLN C . 11111 1 432 . 1 1 42 42 GLN CA C 13 52.470 0.300 . 1 . . . . 42 GLN CA . 11111 1 433 . 1 1 42 42 GLN CB C 13 30.171 0.300 . 1 . . . . 42 GLN CB . 11111 1 434 . 1 1 42 42 GLN CG C 13 33.333 0.300 . 1 . . . . 42 GLN CG . 11111 1 435 . 1 1 42 42 GLN N N 15 115.207 0.300 . 1 . . . . 42 GLN N . 11111 1 436 . 1 1 42 42 GLN NE2 N 15 113.685 0.300 . 1 . . . . 42 GLN NE2 . 11111 1 437 . 1 1 43 43 PRO HA H 1 5.098 0.030 . 1 . . . . 43 PRO HA . 11111 1 438 . 1 1 43 43 PRO HB2 H 1 2.539 0.030 . 2 . . . . 43 PRO HB2 . 11111 1 439 . 1 1 43 43 PRO HB3 H 1 1.901 0.030 . 2 . . . . 43 PRO HB3 . 11111 1 440 . 1 1 43 43 PRO HD2 H 1 3.797 0.030 . 2 . . . . 43 PRO HD2 . 11111 1 441 . 1 1 43 43 PRO HD3 H 1 3.685 0.030 . 2 . . . . 43 PRO HD3 . 11111 1 442 . 1 1 43 43 PRO HG2 H 1 2.170 0.030 . 1 . . . . 43 PRO HG2 . 11111 1 443 . 1 1 43 43 PRO HG3 H 1 2.170 0.030 . 1 . . . . 43 PRO HG3 . 11111 1 444 . 1 1 43 43 PRO CA C 13 61.702 0.300 . 1 . . . . 43 PRO CA . 11111 1 445 . 1 1 43 43 PRO CB C 13 30.662 0.300 . 1 . . . . 43 PRO CB . 11111 1 446 . 1 1 43 43 PRO CD C 13 50.726 0.300 . 1 . . . . 43 PRO CD . 11111 1 447 . 1 1 43 43 PRO CG C 13 27.603 0.300 . 1 . . . . 43 PRO CG . 11111 1 448 . 1 1 44 44 PRO HA H 1 4.406 0.030 . 1 . . . . 44 PRO HA . 11111 1 449 . 1 1 44 44 PRO HB2 H 1 2.135 0.030 . 2 . . . . 44 PRO HB2 . 11111 1 450 . 1 1 44 44 PRO HB3 H 1 1.494 0.030 . 2 . . . . 44 PRO HB3 . 11111 1 451 . 1 1 44 44 PRO HD2 H 1 3.836 0.030 . 2 . . . . 44 PRO HD2 . 11111 1 452 . 1 1 44 44 PRO HG2 H 1 1.854 0.030 . 2 . . . . 44 PRO HG2 . 11111 1 453 . 1 1 44 44 PRO HG3 H 1 1.669 0.030 . 2 . . . . 44 PRO HG3 . 11111 1 454 . 1 1 44 44 PRO C C 13 177.074 0.300 . 1 . . . . 44 PRO C . 11111 1 455 . 1 1 44 44 PRO CA C 13 61.552 0.300 . 1 . . . . 44 PRO CA . 11111 1 456 . 1 1 44 44 PRO CB C 13 32.586 0.300 . 1 . . . . 44 PRO CB . 11111 1 457 . 1 1 44 44 PRO CD C 13 50.869 0.300 . 1 . . . . 44 PRO CD . 11111 1 458 . 1 1 44 44 PRO CG C 13 28.037 0.300 . 1 . . . . 44 PRO CG . 11111 1 459 . 1 1 45 45 SER H H 1 8.738 0.030 . 1 . . . . 45 SER H . 11111 1 460 . 1 1 45 45 SER HA H 1 4.251 0.030 . 1 . . . . 45 SER HA . 11111 1 461 . 1 1 45 45 SER HB2 H 1 3.909 0.030 . 2 . . . . 45 SER HB2 . 11111 1 462 . 1 1 45 45 SER HB3 H 1 3.846 0.030 . 2 . . . . 45 SER HB3 . 11111 1 463 . 1 1 45 45 SER C C 13 175.599 0.300 . 1 . . . . 45 SER C . 11111 1 464 . 1 1 45 45 SER CA C 13 60.651 0.300 . 1 . . . . 45 SER CA . 11111 1 465 . 1 1 45 45 SER CB C 13 63.093 0.300 . 1 . . . . 45 SER CB . 11111 1 466 . 1 1 45 45 SER N N 15 117.038 0.300 . 1 . . . . 45 SER N . 11111 1 467 . 1 1 46 46 GLU H H 1 8.003 0.030 . 1 . . . . 46 GLU H . 11111 1 468 . 1 1 46 46 GLU HA H 1 4.577 0.030 . 1 . . . . 46 GLU HA . 11111 1 469 . 1 1 46 46 GLU HB2 H 1 1.760 0.030 . 2 . . . . 46 GLU HB2 . 11111 1 470 . 1 1 46 46 GLU HB3 H 1 2.008 0.030 . 2 . . . . 46 GLU HB3 . 11111 1 471 . 1 1 46 46 GLU HG2 H 1 2.173 0.030 . 2 . . . . 46 GLU HG2 . 11111 1 472 . 1 1 46 46 GLU HG3 H 1 2.086 0.030 . 2 . . . . 46 GLU HG3 . 11111 1 473 . 1 1 46 46 GLU C C 13 175.013 0.300 . 1 . . . . 46 GLU C . 11111 1 474 . 1 1 46 46 GLU CA C 13 53.769 0.300 . 1 . . . . 46 GLU CA . 11111 1 475 . 1 1 46 46 GLU CB C 13 27.976 0.300 . 1 . . . . 46 GLU CB . 11111 1 476 . 1 1 46 46 GLU CG C 13 35.192 0.300 . 1 . . . . 46 GLU CG . 11111 1 477 . 1 1 46 46 GLU N N 15 121.604 0.300 . 1 . . . . 46 GLU N . 11111 1 478 . 1 1 47 47 ALA H H 1 7.395 0.030 . 1 . . . . 47 ALA H . 11111 1 479 . 1 1 47 47 ALA HA H 1 3.818 0.030 . 1 . . . . 47 ALA HA . 11111 1 480 . 1 1 47 47 ALA HB1 H 1 1.531 0.030 . 1 . . . . 47 ALA HB . 11111 1 481 . 1 1 47 47 ALA HB2 H 1 1.531 0.030 . 1 . . . . 47 ALA HB . 11111 1 482 . 1 1 47 47 ALA HB3 H 1 1.531 0.030 . 1 . . . . 47 ALA HB . 11111 1 483 . 1 1 47 47 ALA C C 13 176.953 0.300 . 1 . . . . 47 ALA C . 11111 1 484 . 1 1 47 47 ALA CA C 13 55.105 0.300 . 1 . . . . 47 ALA CA . 11111 1 485 . 1 1 47 47 ALA CB C 13 19.652 0.300 . 1 . . . . 47 ALA CB . 11111 1 486 . 1 1 47 47 ALA N N 15 123.196 0.300 . 1 . . . . 47 ALA N . 11111 1 487 . 1 1 48 48 ASN H H 1 8.305 0.030 . 1 . . . . 48 ASN H . 11111 1 488 . 1 1 48 48 ASN HA H 1 4.284 0.030 . 1 . . . . 48 ASN HA . 11111 1 489 . 1 1 48 48 ASN HB2 H 1 2.740 0.030 . 1 . . . . 48 ASN HB2 . 11111 1 490 . 1 1 48 48 ASN HB3 H 1 2.740 0.030 . 1 . . . . 48 ASN HB3 . 11111 1 491 . 1 1 48 48 ASN HD21 H 1 7.971 0.030 . 2 . . . . 48 ASN HD21 . 11111 1 492 . 1 1 48 48 ASN HD22 H 1 7.067 0.030 . 2 . . . . 48 ASN HD22 . 11111 1 493 . 1 1 48 48 ASN C C 13 173.216 0.300 . 1 . . . . 48 ASN C . 11111 1 494 . 1 1 48 48 ASN CA C 13 53.812 0.300 . 1 . . . . 48 ASN CA . 11111 1 495 . 1 1 48 48 ASN CB C 13 37.214 0.300 . 1 . . . . 48 ASN CB . 11111 1 496 . 1 1 48 48 ASN N N 15 107.739 0.300 . 1 . . . . 48 ASN N . 11111 1 497 . 1 1 48 48 ASN ND2 N 15 117.316 0.300 . 1 . . . . 48 ASN ND2 . 11111 1 498 . 1 1 49 49 GLY H H 1 7.520 0.030 . 1 . . . . 49 GLY H . 11111 1 499 . 1 1 49 49 GLY HA2 H 1 3.815 0.030 . 2 . . . . 49 GLY HA2 . 11111 1 500 . 1 1 49 49 GLY HA3 H 1 4.181 0.030 . 2 . . . . 49 GLY HA3 . 11111 1 501 . 1 1 49 49 GLY C C 13 172.549 0.300 . 1 . . . . 49 GLY C . 11111 1 502 . 1 1 49 49 GLY CA C 13 44.168 0.300 . 1 . . . . 49 GLY CA . 11111 1 503 . 1 1 49 49 GLY N N 15 104.382 0.300 . 1 . . . . 49 GLY N . 11111 1 504 . 1 1 50 50 LYS H H 1 8.357 0.030 . 1 . . . . 50 LYS H . 11111 1 505 . 1 1 50 50 LYS HA H 1 4.234 0.030 . 1 . . . . 50 LYS HA . 11111 1 506 . 1 1 50 50 LYS HB2 H 1 1.761 0.030 . 1 . . . . 50 LYS HB2 . 11111 1 507 . 1 1 50 50 LYS HB3 H 1 1.761 0.030 . 1 . . . . 50 LYS HB3 . 11111 1 508 . 1 1 50 50 LYS HG2 H 1 1.328 0.030 . 2 . . . . 50 LYS HG2 . 11111 1 509 . 1 1 50 50 LYS HG3 H 1 1.493 0.030 . 2 . . . . 50 LYS HG3 . 11111 1 510 . 1 1 50 50 LYS C C 13 176.609 0.300 . 1 . . . . 50 LYS C . 11111 1 511 . 1 1 50 50 LYS CA C 13 56.340 0.300 . 1 . . . . 50 LYS CA . 11111 1 512 . 1 1 50 50 LYS CB C 13 32.671 0.300 . 1 . . . . 50 LYS CB . 11111 1 513 . 1 1 50 50 LYS CD C 13 29.092 0.300 . 1 . . . . 50 LYS CD . 11111 1 514 . 1 1 50 50 LYS CE C 13 42.172 0.300 . 1 . . . . 50 LYS CE . 11111 1 515 . 1 1 50 50 LYS CG C 13 24.776 0.300 . 1 . . . . 50 LYS CG . 11111 1 516 . 1 1 50 50 LYS N N 15 120.727 0.300 . 1 . . . . 50 LYS N . 11111 1 517 . 1 1 51 51 ILE H H 1 8.620 0.030 . 1 . . . . 51 ILE H . 11111 1 518 . 1 1 51 51 ILE HA H 1 4.224 0.030 . 1 . . . . 51 ILE HA . 11111 1 519 . 1 1 51 51 ILE HB H 1 2.034 0.030 . 1 . . . . 51 ILE HB . 11111 1 520 . 1 1 51 51 ILE HD11 H 1 0.778 0.030 . 1 . . . . 51 ILE HD1 . 11111 1 521 . 1 1 51 51 ILE HD12 H 1 0.778 0.030 . 1 . . . . 51 ILE HD1 . 11111 1 522 . 1 1 51 51 ILE HD13 H 1 0.778 0.030 . 1 . . . . 51 ILE HD1 . 11111 1 523 . 1 1 51 51 ILE HG12 H 1 1.643 0.030 . 2 . . . . 51 ILE HG12 . 11111 1 524 . 1 1 51 51 ILE HG13 H 1 1.551 0.030 . 2 . . . . 51 ILE HG13 . 11111 1 525 . 1 1 51 51 ILE HG21 H 1 0.837 0.030 . 1 . . . . 51 ILE HG2 . 11111 1 526 . 1 1 51 51 ILE HG22 H 1 0.837 0.030 . 1 . . . . 51 ILE HG2 . 11111 1 527 . 1 1 51 51 ILE HG23 H 1 0.837 0.030 . 1 . . . . 51 ILE HG2 . 11111 1 528 . 1 1 51 51 ILE C C 13 177.336 0.300 . 1 . . . . 51 ILE C . 11111 1 529 . 1 1 51 51 ILE CA C 13 59.927 0.300 . 1 . . . . 51 ILE CA . 11111 1 530 . 1 1 51 51 ILE CB C 13 36.459 0.300 . 1 . . . . 51 ILE CB . 11111 1 531 . 1 1 51 51 ILE CD1 C 13 10.811 0.300 . 1 . . . . 51 ILE CD1 . 11111 1 532 . 1 1 51 51 ILE CG1 C 13 27.259 0.300 . 1 . . . . 51 ILE CG1 . 11111 1 533 . 1 1 51 51 ILE CG2 C 13 18.184 0.300 . 1 . . . . 51 ILE CG2 . 11111 1 534 . 1 1 51 51 ILE N N 15 126.810 0.300 . 1 . . . . 51 ILE N . 11111 1 535 . 1 1 52 52 THR H H 1 8.826 0.030 . 1 . . . . 52 THR H . 11111 1 536 . 1 1 52 52 THR HA H 1 4.417 0.030 . 1 . . . . 52 THR HA . 11111 1 537 . 1 1 52 52 THR HB H 1 4.303 0.030 . 1 . . . . 52 THR HB . 11111 1 538 . 1 1 52 52 THR HG21 H 1 1.101 0.030 . 1 . . . . 52 THR HG2 . 11111 1 539 . 1 1 52 52 THR HG22 H 1 1.101 0.030 . 1 . . . . 52 THR HG2 . 11111 1 540 . 1 1 52 52 THR HG23 H 1 1.101 0.030 . 1 . . . . 52 THR HG2 . 11111 1 541 . 1 1 52 52 THR C C 13 175.559 0.300 . 1 . . . . 52 THR C . 11111 1 542 . 1 1 52 52 THR CA C 13 60.839 0.300 . 1 . . . . 52 THR CA . 11111 1 543 . 1 1 52 52 THR CB C 13 68.946 0.300 . 1 . . . . 52 THR CB . 11111 1 544 . 1 1 52 52 THR CG2 C 13 22.462 0.300 . 1 . . . . 52 THR CG2 . 11111 1 545 . 1 1 52 52 THR N N 15 116.823 0.300 . 1 . . . . 52 THR N . 11111 1 546 . 1 1 53 53 GLY H H 1 7.444 0.030 . 1 . . . . 53 GLY H . 11111 1 547 . 1 1 53 53 GLY HA2 H 1 4.580 0.030 . 2 . . . . 53 GLY HA2 . 11111 1 548 . 1 1 53 53 GLY HA3 H 1 4.208 0.030 . 2 . . . . 53 GLY HA3 . 11111 1 549 . 1 1 53 53 GLY C C 13 169.519 0.300 . 1 . . . . 53 GLY C . 11111 1 550 . 1 1 53 53 GLY CA C 13 45.477 0.300 . 1 . . . . 53 GLY CA . 11111 1 551 . 1 1 53 53 GLY N N 15 111.855 0.300 . 1 . . . . 53 GLY N . 11111 1 552 . 1 1 54 54 TYR H H 1 8.807 0.030 . 1 . . . . 54 TYR H . 11111 1 553 . 1 1 54 54 TYR HA H 1 5.334 0.030 . 1 . . . . 54 TYR HA . 11111 1 554 . 1 1 54 54 TYR HB2 H 1 2.489 0.030 . 2 . . . . 54 TYR HB2 . 11111 1 555 . 1 1 54 54 TYR HB3 H 1 2.401 0.030 . 2 . . . . 54 TYR HB3 . 11111 1 556 . 1 1 54 54 TYR C C 13 174.630 0.300 . 1 . . . . 54 TYR C . 11111 1 557 . 1 1 54 54 TYR CA C 13 56.399 0.300 . 1 . . . . 54 TYR CA . 11111 1 558 . 1 1 54 54 TYR CB C 13 43.358 0.300 . 1 . . . . 54 TYR CB . 11111 1 559 . 1 1 54 54 TYR N N 15 113.235 0.300 . 1 . . . . 54 TYR N . 11111 1 560 . 1 1 55 55 ILE H H 1 8.992 0.030 . 1 . . . . 55 ILE H . 11111 1 561 . 1 1 55 55 ILE HA H 1 4.126 0.030 . 1 . . . . 55 ILE HA . 11111 1 562 . 1 1 55 55 ILE HB H 1 1.705 0.030 . 1 . . . . 55 ILE HB . 11111 1 563 . 1 1 55 55 ILE HD11 H 1 0.730 0.030 . 1 . . . . 55 ILE HD1 . 11111 1 564 . 1 1 55 55 ILE HD12 H 1 0.730 0.030 . 1 . . . . 55 ILE HD1 . 11111 1 565 . 1 1 55 55 ILE HD13 H 1 0.730 0.030 . 1 . . . . 55 ILE HD1 . 11111 1 566 . 1 1 55 55 ILE HG12 H 1 1.271 0.030 . 2 . . . . 55 ILE HG12 . 11111 1 567 . 1 1 55 55 ILE HG13 H 1 0.912 0.030 . 2 . . . . 55 ILE HG13 . 11111 1 568 . 1 1 55 55 ILE HG21 H 1 0.159 0.030 . 1 . . . . 55 ILE HG2 . 11111 1 569 . 1 1 55 55 ILE HG22 H 1 0.159 0.030 . 1 . . . . 55 ILE HG2 . 11111 1 570 . 1 1 55 55 ILE HG23 H 1 0.159 0.030 . 1 . . . . 55 ILE HG2 . 11111 1 571 . 1 1 55 55 ILE C C 13 174.024 0.300 . 1 . . . . 55 ILE C . 11111 1 572 . 1 1 55 55 ILE CA C 13 62.140 0.300 . 1 . . . . 55 ILE CA . 11111 1 573 . 1 1 55 55 ILE CB C 13 40.449 0.300 . 1 . . . . 55 ILE CB . 11111 1 574 . 1 1 55 55 ILE CD1 C 13 13.580 0.300 . 1 . . . . 55 ILE CD1 . 11111 1 575 . 1 1 55 55 ILE CG1 C 13 28.434 0.300 . 1 . . . . 55 ILE CG1 . 11111 1 576 . 1 1 55 55 ILE CG2 C 13 19.858 0.300 . 1 . . . . 55 ILE CG2 . 11111 1 577 . 1 1 55 55 ILE N N 15 120.989 0.300 . 1 . . . . 55 ILE N . 11111 1 578 . 1 1 56 56 ILE H H 1 8.039 0.030 . 1 . . . . 56 ILE H . 11111 1 579 . 1 1 56 56 ILE HA H 1 4.520 0.030 . 1 . . . . 56 ILE HA . 11111 1 580 . 1 1 56 56 ILE HB H 1 1.922 0.030 . 1 . . . . 56 ILE HB . 11111 1 581 . 1 1 56 56 ILE HD11 H 1 0.651 0.030 . 1 . . . . 56 ILE HD1 . 11111 1 582 . 1 1 56 56 ILE HD12 H 1 0.651 0.030 . 1 . . . . 56 ILE HD1 . 11111 1 583 . 1 1 56 56 ILE HD13 H 1 0.651 0.030 . 1 . . . . 56 ILE HD1 . 11111 1 584 . 1 1 56 56 ILE HG12 H 1 1.256 0.030 . 2 . . . . 56 ILE HG12 . 11111 1 585 . 1 1 56 56 ILE HG13 H 1 0.431 0.030 . 2 . . . . 56 ILE HG13 . 11111 1 586 . 1 1 56 56 ILE HG21 H 1 1.039 0.030 . 1 . . . . 56 ILE HG2 . 11111 1 587 . 1 1 56 56 ILE HG22 H 1 1.039 0.030 . 1 . . . . 56 ILE HG2 . 11111 1 588 . 1 1 56 56 ILE HG23 H 1 1.039 0.030 . 1 . . . . 56 ILE HG2 . 11111 1 589 . 1 1 56 56 ILE C C 13 173.034 0.300 . 1 . . . . 56 ILE C . 11111 1 590 . 1 1 56 56 ILE CA C 13 60.410 0.300 . 1 . . . . 56 ILE CA . 11111 1 591 . 1 1 56 56 ILE CB C 13 39.394 0.300 . 1 . . . . 56 ILE CB . 11111 1 592 . 1 1 56 56 ILE CD1 C 13 15.024 0.300 . 1 . . . . 56 ILE CD1 . 11111 1 593 . 1 1 56 56 ILE CG1 C 13 28.201 0.300 . 1 . . . . 56 ILE CG1 . 11111 1 594 . 1 1 56 56 ILE CG2 C 13 17.287 0.300 . 1 . . . . 56 ILE CG2 . 11111 1 595 . 1 1 56 56 ILE N N 15 126.737 0.300 . 1 . . . . 56 ILE N . 11111 1 596 . 1 1 57 57 TYR H H 1 9.494 0.030 . 1 . . . . 57 TYR H . 11111 1 597 . 1 1 57 57 TYR HA H 1 5.938 0.030 . 1 . . . . 57 TYR HA . 11111 1 598 . 1 1 57 57 TYR HB2 H 1 2.948 0.030 . 2 . . . . 57 TYR HB2 . 11111 1 599 . 1 1 57 57 TYR HB3 H 1 2.622 0.030 . 2 . . . . 57 TYR HB3 . 11111 1 600 . 1 1 57 57 TYR HD1 H 1 6.762 0.030 . 1 . . . . 57 TYR HD1 . 11111 1 601 . 1 1 57 57 TYR HD2 H 1 6.762 0.030 . 1 . . . . 57 TYR HD2 . 11111 1 602 . 1 1 57 57 TYR HE1 H 1 6.526 0.030 . 1 . . . . 57 TYR HE1 . 11111 1 603 . 1 1 57 57 TYR HE2 H 1 6.526 0.030 . 1 . . . . 57 TYR HE2 . 11111 1 604 . 1 1 57 57 TYR C C 13 176.791 0.300 . 1 . . . . 57 TYR C . 11111 1 605 . 1 1 57 57 TYR CA C 13 55.488 0.300 . 1 . . . . 57 TYR CA . 11111 1 606 . 1 1 57 57 TYR CB C 13 41.579 0.300 . 1 . . . . 57 TYR CB . 11111 1 607 . 1 1 57 57 TYR CD1 C 13 133.494 0.300 . 1 . . . . 57 TYR CD1 . 11111 1 608 . 1 1 57 57 TYR CD2 C 13 133.494 0.300 . 1 . . . . 57 TYR CD2 . 11111 1 609 . 1 1 57 57 TYR CE1 C 13 117.605 0.300 . 1 . . . . 57 TYR CE1 . 11111 1 610 . 1 1 57 57 TYR CE2 C 13 117.605 0.300 . 1 . . . . 57 TYR CE2 . 11111 1 611 . 1 1 57 57 TYR N N 15 125.955 0.300 . 1 . . . . 57 TYR N . 11111 1 612 . 1 1 58 58 TYR H H 1 9.587 0.030 . 1 . . . . 58 TYR H . 11111 1 613 . 1 1 58 58 TYR HA H 1 6.327 0.030 . 1 . . . . 58 TYR HA . 11111 1 614 . 1 1 58 58 TYR HB2 H 1 2.753 0.030 . 2 . . . . 58 TYR HB2 . 11111 1 615 . 1 1 58 58 TYR HB3 H 1 2.279 0.030 . 2 . . . . 58 TYR HB3 . 11111 1 616 . 1 1 58 58 TYR HD1 H 1 6.776 0.030 . 1 . . . . 58 TYR HD1 . 11111 1 617 . 1 1 58 58 TYR HD2 H 1 6.776 0.030 . 1 . . . . 58 TYR HD2 . 11111 1 618 . 1 1 58 58 TYR HE1 H 1 6.683 0.030 . 1 . . . . 58 TYR HE1 . 11111 1 619 . 1 1 58 58 TYR HE2 H 1 6.683 0.030 . 1 . . . . 58 TYR HE2 . 11111 1 620 . 1 1 58 58 TYR C C 13 174.165 0.300 . 1 . . . . 58 TYR C . 11111 1 621 . 1 1 58 58 TYR CA C 13 56.375 0.300 . 1 . . . . 58 TYR CA . 11111 1 622 . 1 1 58 58 TYR CB C 13 43.442 0.300 . 1 . . . . 58 TYR CB . 11111 1 623 . 1 1 58 58 TYR CD1 C 13 132.901 0.300 . 1 . . . . 58 TYR CD1 . 11111 1 624 . 1 1 58 58 TYR CD2 C 13 132.901 0.300 . 1 . . . . 58 TYR CD2 . 11111 1 625 . 1 1 58 58 TYR CE1 C 13 118.056 0.300 . 1 . . . . 58 TYR CE1 . 11111 1 626 . 1 1 58 58 TYR CE2 C 13 118.056 0.300 . 1 . . . . 58 TYR CE2 . 11111 1 627 . 1 1 58 58 TYR N N 15 118.946 0.300 . 1 . . . . 58 TYR N . 11111 1 628 . 1 1 59 59 SER H H 1 7.998 0.030 . 1 . . . . 59 SER H . 11111 1 629 . 1 1 59 59 SER HA H 1 4.598 0.030 . 1 . . . . 59 SER HA . 11111 1 630 . 1 1 59 59 SER HB2 H 1 2.419 0.030 . 2 . . . . 59 SER HB2 . 11111 1 631 . 1 1 59 59 SER HB3 H 1 1.246 0.030 . 2 . . . . 59 SER HB3 . 11111 1 632 . 1 1 59 59 SER C C 13 174.084 0.300 . 1 . . . . 59 SER C . 11111 1 633 . 1 1 59 59 SER CA C 13 55.311 0.300 . 1 . . . . 59 SER CA . 11111 1 634 . 1 1 59 59 SER CB C 13 63.889 0.300 . 1 . . . . 59 SER CB . 11111 1 635 . 1 1 59 59 SER N N 15 111.764 0.300 . 1 . . . . 59 SER N . 11111 1 636 . 1 1 60 60 THR H H 1 8.104 0.030 . 1 . . . . 60 THR H . 11111 1 637 . 1 1 60 60 THR HA H 1 4.602 0.030 . 1 . . . . 60 THR HA . 11111 1 638 . 1 1 60 60 THR HB H 1 4.329 0.030 . 1 . . . . 60 THR HB . 11111 1 639 . 1 1 60 60 THR HG21 H 1 0.696 0.030 . 1 . . . . 60 THR HG2 . 11111 1 640 . 1 1 60 60 THR HG22 H 1 0.696 0.030 . 1 . . . . 60 THR HG2 . 11111 1 641 . 1 1 60 60 THR HG23 H 1 0.696 0.030 . 1 . . . . 60 THR HG2 . 11111 1 642 . 1 1 60 60 THR C C 13 174.165 0.300 . 1 . . . . 60 THR C . 11111 1 643 . 1 1 60 60 THR CA C 13 61.766 0.300 . 1 . . . . 60 THR CA . 11111 1 644 . 1 1 60 60 THR CB C 13 69.048 0.300 . 1 . . . . 60 THR CB . 11111 1 645 . 1 1 60 60 THR CG2 C 13 21.986 0.300 . 1 . . . . 60 THR CG2 . 11111 1 646 . 1 1 60 60 THR N N 15 113.076 0.300 . 1 . . . . 60 THR N . 11111 1 647 . 1 1 61 61 ASP H H 1 8.107 0.030 . 1 . . . . 61 ASP H . 11111 1 648 . 1 1 61 61 ASP HA H 1 4.776 0.030 . 1 . . . . 61 ASP HA . 11111 1 649 . 1 1 61 61 ASP HB2 H 1 2.433 0.030 . 2 . . . . 61 ASP HB2 . 11111 1 650 . 1 1 61 61 ASP HB3 H 1 2.380 0.030 . 2 . . . . 61 ASP HB3 . 11111 1 651 . 1 1 61 61 ASP C C 13 176.246 0.300 . 1 . . . . 61 ASP C . 11111 1 652 . 1 1 61 61 ASP CA C 13 52.459 0.300 . 1 . . . . 61 ASP CA . 11111 1 653 . 1 1 61 61 ASP CB C 13 42.529 0.300 . 1 . . . . 61 ASP CB . 11111 1 654 . 1 1 61 61 ASP N N 15 121.642 0.300 . 1 . . . . 61 ASP N . 11111 1 655 . 1 1 62 62 VAL H H 1 7.671 0.030 . 1 . . . . 62 VAL H . 11111 1 656 . 1 1 62 62 VAL HA H 1 3.400 0.030 . 1 . . . . 62 VAL HA . 11111 1 657 . 1 1 62 62 VAL HB H 1 -0.022 0.030 . 1 . . . . 62 VAL HB . 11111 1 658 . 1 1 62 62 VAL HG11 H 1 0.499 0.030 . 1 . . . . 62 VAL HG1 . 11111 1 659 . 1 1 62 62 VAL HG12 H 1 0.499 0.030 . 1 . . . . 62 VAL HG1 . 11111 1 660 . 1 1 62 62 VAL HG13 H 1 0.499 0.030 . 1 . . . . 62 VAL HG1 . 11111 1 661 . 1 1 62 62 VAL HG21 H 1 0.780 0.030 . 1 . . . . 62 VAL HG2 . 11111 1 662 . 1 1 62 62 VAL HG22 H 1 0.780 0.030 . 1 . . . . 62 VAL HG2 . 11111 1 663 . 1 1 62 62 VAL HG23 H 1 0.780 0.030 . 1 . . . . 62 VAL HG2 . 11111 1 664 . 1 1 62 62 VAL C C 13 174.306 0.300 . 1 . . . . 62 VAL C . 11111 1 665 . 1 1 62 62 VAL CA C 13 63.489 0.300 . 1 . . . . 62 VAL CA . 11111 1 666 . 1 1 62 62 VAL CB C 13 30.715 0.300 . 1 . . . . 62 VAL CB . 11111 1 667 . 1 1 62 62 VAL CG1 C 13 18.013 0.300 . 2 . . . . 62 VAL CG1 . 11111 1 668 . 1 1 62 62 VAL CG2 C 13 23.363 0.300 . 2 . . . . 62 VAL CG2 . 11111 1 669 . 1 1 62 62 VAL N N 15 129.091 0.300 . 1 . . . . 62 VAL N . 11111 1 670 . 1 1 63 63 ASN H H 1 8.003 0.030 . 1 . . . . 63 ASN H . 11111 1 671 . 1 1 63 63 ASN HA H 1 4.774 0.030 . 1 . . . . 63 ASN HA . 11111 1 672 . 1 1 63 63 ASN HB2 H 1 2.622 0.030 . 2 . . . . 63 ASN HB2 . 11111 1 673 . 1 1 63 63 ASN HB3 H 1 2.854 0.030 . 2 . . . . 63 ASN HB3 . 11111 1 674 . 1 1 63 63 ASN HD21 H 1 7.807 0.030 . 2 . . . . 63 ASN HD21 . 11111 1 675 . 1 1 63 63 ASN HD22 H 1 6.853 0.030 . 2 . . . . 63 ASN HD22 . 11111 1 676 . 1 1 63 63 ASN C C 13 175.397 0.300 . 1 . . . . 63 ASN C . 11111 1 677 . 1 1 63 63 ASN CA C 13 52.841 0.300 . 1 . . . . 63 ASN CA . 11111 1 678 . 1 1 63 63 ASN CB C 13 39.466 0.300 . 1 . . . . 63 ASN CB . 11111 1 679 . 1 1 63 63 ASN N N 15 115.921 0.300 . 1 . . . . 63 ASN N . 11111 1 680 . 1 1 63 63 ASN ND2 N 15 115.385 0.300 . 1 . . . . 63 ASN ND2 . 11111 1 681 . 1 1 64 64 ALA H H 1 7.137 0.030 . 1 . . . . 64 ALA H . 11111 1 682 . 1 1 64 64 ALA HA H 1 4.148 0.030 . 1 . . . . 64 ALA HA . 11111 1 683 . 1 1 64 64 ALA HB1 H 1 1.301 0.030 . 1 . . . . 64 ALA HB . 11111 1 684 . 1 1 64 64 ALA HB2 H 1 1.301 0.030 . 1 . . . . 64 ALA HB . 11111 1 685 . 1 1 64 64 ALA HB3 H 1 1.301 0.030 . 1 . . . . 64 ALA HB . 11111 1 686 . 1 1 64 64 ALA C C 13 178.852 0.300 . 1 . . . . 64 ALA C . 11111 1 687 . 1 1 64 64 ALA CA C 13 52.694 0.300 . 1 . . . . 64 ALA CA . 11111 1 688 . 1 1 64 64 ALA CB C 13 18.372 0.300 . 1 . . . . 64 ALA CB . 11111 1 689 . 1 1 64 64 ALA N N 15 123.824 0.300 . 1 . . . . 64 ALA N . 11111 1 690 . 1 1 65 65 GLU H H 1 9.182 0.030 . 1 . . . . 65 GLU H . 11111 1 691 . 1 1 65 65 GLU HA H 1 4.083 0.030 . 1 . . . . 65 GLU HA . 11111 1 692 . 1 1 65 65 GLU HB2 H 1 1.683 0.030 . 2 . . . . 65 GLU HB2 . 11111 1 693 . 1 1 65 65 GLU HB3 H 1 2.016 0.030 . 2 . . . . 65 GLU HB3 . 11111 1 694 . 1 1 65 65 GLU HG2 H 1 2.366 0.030 . 2 . . . . 65 GLU HG2 . 11111 1 695 . 1 1 65 65 GLU HG3 H 1 2.477 0.030 . 2 . . . . 65 GLU HG3 . 11111 1 696 . 1 1 65 65 GLU C C 13 179.397 0.300 . 1 . . . . 65 GLU C . 11111 1 697 . 1 1 65 65 GLU CA C 13 57.028 0.300 . 1 . . . . 65 GLU CA . 11111 1 698 . 1 1 65 65 GLU CB C 13 29.959 0.300 . 1 . . . . 65 GLU CB . 11111 1 699 . 1 1 65 65 GLU CG C 13 36.763 0.300 . 1 . . . . 65 GLU CG . 11111 1 700 . 1 1 65 65 GLU N N 15 124.971 0.300 . 1 . . . . 65 GLU N . 11111 1 701 . 1 1 66 66 ILE H H 1 8.446 0.030 . 1 . . . . 66 ILE H . 11111 1 702 . 1 1 66 66 ILE HA H 1 3.691 0.030 . 1 . . . . 66 ILE HA . 11111 1 703 . 1 1 66 66 ILE HB H 1 1.451 0.030 . 1 . . . . 66 ILE HB . 11111 1 704 . 1 1 66 66 ILE HD11 H 1 -0.383 0.030 . 1 . . . . 66 ILE HD1 . 11111 1 705 . 1 1 66 66 ILE HD12 H 1 -0.383 0.030 . 1 . . . . 66 ILE HD1 . 11111 1 706 . 1 1 66 66 ILE HD13 H 1 -0.383 0.030 . 1 . . . . 66 ILE HD1 . 11111 1 707 . 1 1 66 66 ILE HG12 H 1 0.779 0.030 . 2 . . . . 66 ILE HG12 . 11111 1 708 . 1 1 66 66 ILE HG13 H 1 0.685 0.030 . 2 . . . . 66 ILE HG13 . 11111 1 709 . 1 1 66 66 ILE HG21 H 1 0.621 0.030 . 1 . . . . 66 ILE HG2 . 11111 1 710 . 1 1 66 66 ILE HG22 H 1 0.621 0.030 . 1 . . . . 66 ILE HG2 . 11111 1 711 . 1 1 66 66 ILE HG23 H 1 0.621 0.030 . 1 . . . . 66 ILE HG2 . 11111 1 712 . 1 1 66 66 ILE C C 13 176.650 0.300 . 1 . . . . 66 ILE C . 11111 1 713 . 1 1 66 66 ILE CA C 13 61.456 0.300 . 1 . . . . 66 ILE CA . 11111 1 714 . 1 1 66 66 ILE CB C 13 38.098 0.300 . 1 . . . . 66 ILE CB . 11111 1 715 . 1 1 66 66 ILE CD1 C 13 12.213 0.300 . 1 . . . . 66 ILE CD1 . 11111 1 716 . 1 1 66 66 ILE CG1 C 13 28.263 0.300 . 1 . . . . 66 ILE CG1 . 11111 1 717 . 1 1 66 66 ILE CG2 C 13 18.000 0.300 . 1 . . . . 66 ILE CG2 . 11111 1 718 . 1 1 66 66 ILE N N 15 122.032 0.300 . 1 . . . . 66 ILE N . 11111 1 719 . 1 1 67 67 HIS H H 1 7.526 0.030 . 1 . . . . 67 HIS H . 11111 1 720 . 1 1 67 67 HIS HA H 1 4.549 0.030 . 1 . . . . 67 HIS HA . 11111 1 721 . 1 1 67 67 HIS HB2 H 1 3.291 0.030 . 2 . . . . 67 HIS HB2 . 11111 1 722 . 1 1 67 67 HIS HB3 H 1 3.140 0.030 . 2 . . . . 67 HIS HB3 . 11111 1 723 . 1 1 67 67 HIS HD2 H 1 7.077 0.030 . 1 . . . . 67 HIS HD2 . 11111 1 724 . 1 1 67 67 HIS HE1 H 1 7.899 0.030 . 1 . . . . 67 HIS HE1 . 11111 1 725 . 1 1 67 67 HIS C C 13 175.498 0.300 . 1 . . . . 67 HIS C . 11111 1 726 . 1 1 67 67 HIS CA C 13 58.011 0.300 . 1 . . . . 67 HIS CA . 11111 1 727 . 1 1 67 67 HIS CB C 13 29.179 0.300 . 1 . . . . 67 HIS CB . 11111 1 728 . 1 1 67 67 HIS CD2 C 13 119.800 0.300 . 1 . . . . 67 HIS CD2 . 11111 1 729 . 1 1 67 67 HIS CE1 C 13 138.513 0.300 . 1 . . . . 67 HIS CE1 . 11111 1 730 . 1 1 67 67 HIS N N 15 117.778 0.300 . 1 . . . . 67 HIS N . 11111 1 731 . 1 1 68 68 ASP H H 1 8.328 0.030 . 1 . . . . 68 ASP H . 11111 1 732 . 1 1 68 68 ASP HA H 1 4.991 0.030 . 1 . . . . 68 ASP HA . 11111 1 733 . 1 1 68 68 ASP HB2 H 1 2.703 0.030 . 2 . . . . 68 ASP HB2 . 11111 1 734 . 1 1 68 68 ASP HB3 H 1 2.890 0.030 . 2 . . . . 68 ASP HB3 . 11111 1 735 . 1 1 68 68 ASP C C 13 177.619 0.300 . 1 . . . . 68 ASP C . 11111 1 736 . 1 1 68 68 ASP CA C 13 54.605 0.300 . 1 . . . . 68 ASP CA . 11111 1 737 . 1 1 68 68 ASP CB C 13 41.708 0.300 . 1 . . . . 68 ASP CB . 11111 1 738 . 1 1 68 68 ASP N N 15 118.722 0.300 . 1 . . . . 68 ASP N . 11111 1 739 . 1 1 69 69 TRP H H 1 8.052 0.030 . 1 . . . . 69 TRP H . 11111 1 740 . 1 1 69 69 TRP HA H 1 4.406 0.030 . 1 . . . . 69 TRP HA . 11111 1 741 . 1 1 69 69 TRP HB2 H 1 3.315 0.030 . 2 . . . . 69 TRP HB2 . 11111 1 742 . 1 1 69 69 TRP HB3 H 1 3.254 0.030 . 2 . . . . 69 TRP HB3 . 11111 1 743 . 1 1 69 69 TRP HD1 H 1 7.495 0.030 . 1 . . . . 69 TRP HD1 . 11111 1 744 . 1 1 69 69 TRP HE1 H 1 9.618 0.030 . 1 . . . . 69 TRP HE1 . 11111 1 745 . 1 1 69 69 TRP HE3 H 1 7.095 0.030 . 1 . . . . 69 TRP HE3 . 11111 1 746 . 1 1 69 69 TRP HH2 H 1 6.726 0.030 . 1 . . . . 69 TRP HH2 . 11111 1 747 . 1 1 69 69 TRP HZ2 H 1 7.506 0.030 . 1 . . . . 69 TRP HZ2 . 11111 1 748 . 1 1 69 69 TRP HZ3 H 1 6.786 0.030 . 1 . . . . 69 TRP HZ3 . 11111 1 749 . 1 1 69 69 TRP C C 13 175.195 0.300 . 1 . . . . 69 TRP C . 11111 1 750 . 1 1 69 69 TRP CA C 13 58.709 0.300 . 1 . . . . 69 TRP CA . 11111 1 751 . 1 1 69 69 TRP CB C 13 28.168 0.300 . 1 . . . . 69 TRP CB . 11111 1 752 . 1 1 69 69 TRP CD1 C 13 127.948 0.300 . 1 . . . . 69 TRP CD1 . 11111 1 753 . 1 1 69 69 TRP CE3 C 13 120.516 0.300 . 1 . . . . 69 TRP CE3 . 11111 1 754 . 1 1 69 69 TRP CH2 C 13 122.781 0.300 . 1 . . . . 69 TRP CH2 . 11111 1 755 . 1 1 69 69 TRP CZ2 C 13 114.285 0.300 . 1 . . . . 69 TRP CZ2 . 11111 1 756 . 1 1 69 69 TRP CZ3 C 13 121.543 0.300 . 1 . . . . 69 TRP CZ3 . 11111 1 757 . 1 1 69 69 TRP N N 15 124.434 0.300 . 1 . . . . 69 TRP N . 11111 1 758 . 1 1 69 69 TRP NE1 N 15 130.418 0.300 . 1 . . . . 69 TRP NE1 . 11111 1 759 . 1 1 70 70 VAL H H 1 9.187 0.030 . 1 . . . . 70 VAL H . 11111 1 760 . 1 1 70 70 VAL HA H 1 3.745 0.030 . 1 . . . . 70 VAL HA . 11111 1 761 . 1 1 70 70 VAL HB H 1 0.564 0.030 . 1 . . . . 70 VAL HB . 11111 1 762 . 1 1 70 70 VAL HG11 H 1 0.841 0.030 . 1 . . . . 70 VAL HG1 . 11111 1 763 . 1 1 70 70 VAL HG12 H 1 0.841 0.030 . 1 . . . . 70 VAL HG1 . 11111 1 764 . 1 1 70 70 VAL HG13 H 1 0.841 0.030 . 1 . . . . 70 VAL HG1 . 11111 1 765 . 1 1 70 70 VAL HG21 H 1 0.767 0.030 . 1 . . . . 70 VAL HG2 . 11111 1 766 . 1 1 70 70 VAL HG22 H 1 0.767 0.030 . 1 . . . . 70 VAL HG2 . 11111 1 767 . 1 1 70 70 VAL HG23 H 1 0.767 0.030 . 1 . . . . 70 VAL HG2 . 11111 1 768 . 1 1 70 70 VAL C C 13 175.236 0.300 . 1 . . . . 70 VAL C . 11111 1 769 . 1 1 70 70 VAL CA C 13 63.604 0.300 . 1 . . . . 70 VAL CA . 11111 1 770 . 1 1 70 70 VAL CB C 13 31.148 0.300 . 1 . . . . 70 VAL CB . 11111 1 771 . 1 1 70 70 VAL CG1 C 13 22.626 0.300 . 2 . . . . 70 VAL CG1 . 11111 1 772 . 1 1 70 70 VAL CG2 C 13 21.879 0.300 . 2 . . . . 70 VAL CG2 . 11111 1 773 . 1 1 70 70 VAL N N 15 125.577 0.300 . 1 . . . . 70 VAL N . 11111 1 774 . 1 1 71 71 ILE H H 1 7.943 0.030 . 1 . . . . 71 ILE H . 11111 1 775 . 1 1 71 71 ILE HA H 1 4.438 0.030 . 1 . . . . 71 ILE HA . 11111 1 776 . 1 1 71 71 ILE HB H 1 1.552 0.030 . 1 . . . . 71 ILE HB . 11111 1 777 . 1 1 71 71 ILE HD11 H 1 0.902 0.030 . 1 . . . . 71 ILE HD1 . 11111 1 778 . 1 1 71 71 ILE HD12 H 1 0.902 0.030 . 1 . . . . 71 ILE HD1 . 11111 1 779 . 1 1 71 71 ILE HD13 H 1 0.902 0.030 . 1 . . . . 71 ILE HD1 . 11111 1 780 . 1 1 71 71 ILE HG12 H 1 0.791 0.030 . 2 . . . . 71 ILE HG12 . 11111 1 781 . 1 1 71 71 ILE HG13 H 1 1.592 0.030 . 2 . . . . 71 ILE HG13 . 11111 1 782 . 1 1 71 71 ILE HG21 H 1 0.578 0.030 . 1 . . . . 71 ILE HG2 . 11111 1 783 . 1 1 71 71 ILE HG22 H 1 0.578 0.030 . 1 . . . . 71 ILE HG2 . 11111 1 784 . 1 1 71 71 ILE HG23 H 1 0.578 0.030 . 1 . . . . 71 ILE HG2 . 11111 1 785 . 1 1 71 71 ILE C C 13 176.306 0.300 . 1 . . . . 71 ILE C . 11111 1 786 . 1 1 71 71 ILE CA C 13 60.975 0.300 . 1 . . . . 71 ILE CA . 11111 1 787 . 1 1 71 71 ILE CB C 13 40.124 0.300 . 1 . . . . 71 ILE CB . 11111 1 788 . 1 1 71 71 ILE CD1 C 13 14.205 0.300 . 1 . . . . 71 ILE CD1 . 11111 1 789 . 1 1 71 71 ILE CG1 C 13 27.834 0.300 . 1 . . . . 71 ILE CG1 . 11111 1 790 . 1 1 71 71 ILE CG2 C 13 17.476 0.300 . 1 . . . . 71 ILE CG2 . 11111 1 791 . 1 1 71 71 ILE N N 15 123.916 0.300 . 1 . . . . 71 ILE N . 11111 1 792 . 1 1 72 72 GLU H H 1 9.456 0.030 . 1 . . . . 72 GLU H . 11111 1 793 . 1 1 72 72 GLU HA H 1 5.032 0.030 . 1 . . . . 72 GLU HA . 11111 1 794 . 1 1 72 72 GLU HB2 H 1 2.106 0.030 . 2 . . . . 72 GLU HB2 . 11111 1 795 . 1 1 72 72 GLU HB3 H 1 1.945 0.030 . 2 . . . . 72 GLU HB3 . 11111 1 796 . 1 1 72 72 GLU HG2 H 1 2.355 0.030 . 2 . . . . 72 GLU HG2 . 11111 1 797 . 1 1 72 72 GLU HG3 H 1 2.255 0.030 . 2 . . . . 72 GLU HG3 . 11111 1 798 . 1 1 72 72 GLU C C 13 172.909 0.300 . 1 . . . . 72 GLU C . 11111 1 799 . 1 1 72 72 GLU CA C 13 52.735 0.300 . 1 . . . . 72 GLU CA . 11111 1 800 . 1 1 72 72 GLU CB C 13 31.796 0.300 . 1 . . . . 72 GLU CB . 11111 1 801 . 1 1 72 72 GLU CG C 13 35.710 0.300 . 1 . . . . 72 GLU CG . 11111 1 802 . 1 1 72 72 GLU N N 15 129.854 0.300 . 1 . . . . 72 GLU N . 11111 1 803 . 1 1 73 73 PRO HA H 1 4.558 0.030 . 1 . . . . 73 PRO HA . 11111 1 804 . 1 1 73 73 PRO HB2 H 1 1.864 0.030 . 2 . . . . 73 PRO HB2 . 11111 1 805 . 1 1 73 73 PRO HB3 H 1 2.200 0.030 . 2 . . . . 73 PRO HB3 . 11111 1 806 . 1 1 73 73 PRO HD2 H 1 3.841 0.030 . 2 . . . . 73 PRO HD2 . 11111 1 807 . 1 1 73 73 PRO HD3 H 1 3.624 0.030 . 2 . . . . 73 PRO HD3 . 11111 1 808 . 1 1 73 73 PRO HG2 H 1 1.873 0.030 . 2 . . . . 73 PRO HG2 . 11111 1 809 . 1 1 73 73 PRO HG3 H 1 2.150 0.030 . 2 . . . . 73 PRO HG3 . 11111 1 810 . 1 1 73 73 PRO C C 13 175.842 0.300 . 1 . . . . 73 PRO C . 11111 1 811 . 1 1 73 73 PRO CA C 13 62.681 0.300 . 1 . . . . 73 PRO CA . 11111 1 812 . 1 1 73 73 PRO CB C 13 32.644 0.300 . 1 . . . . 73 PRO CB . 11111 1 813 . 1 1 73 73 PRO CD C 13 51.049 0.300 . 1 . . . . 73 PRO CD . 11111 1 814 . 1 1 73 73 PRO CG C 13 27.269 0.300 . 1 . . . . 73 PRO CG . 11111 1 815 . 1 1 74 74 VAL H H 1 8.634 0.030 . 1 . . . . 74 VAL H . 11111 1 816 . 1 1 74 74 VAL HA H 1 4.089 0.030 . 1 . . . . 74 VAL HA . 11111 1 817 . 1 1 74 74 VAL HB H 1 2.099 0.030 . 1 . . . . 74 VAL HB . 11111 1 818 . 1 1 74 74 VAL HG11 H 1 1.169 0.030 . 1 . . . . 74 VAL HG1 . 11111 1 819 . 1 1 74 74 VAL HG12 H 1 1.169 0.030 . 1 . . . . 74 VAL HG1 . 11111 1 820 . 1 1 74 74 VAL HG13 H 1 1.169 0.030 . 1 . . . . 74 VAL HG1 . 11111 1 821 . 1 1 74 74 VAL HG21 H 1 0.526 0.030 . 1 . . . . 74 VAL HG2 . 11111 1 822 . 1 1 74 74 VAL HG22 H 1 0.526 0.030 . 1 . . . . 74 VAL HG2 . 11111 1 823 . 1 1 74 74 VAL HG23 H 1 0.526 0.030 . 1 . . . . 74 VAL HG2 . 11111 1 824 . 1 1 74 74 VAL C C 13 175.660 0.300 . 1 . . . . 74 VAL C . 11111 1 825 . 1 1 74 74 VAL CA C 13 61.601 0.300 . 1 . . . . 74 VAL CA . 11111 1 826 . 1 1 74 74 VAL CB C 13 34.274 0.300 . 1 . . . . 74 VAL CB . 11111 1 827 . 1 1 74 74 VAL CG1 C 13 20.848 0.300 . 2 . . . . 74 VAL CG1 . 11111 1 828 . 1 1 74 74 VAL CG2 C 13 19.999 0.300 . 2 . . . . 74 VAL CG2 . 11111 1 829 . 1 1 74 74 VAL N N 15 122.482 0.300 . 1 . . . . 74 VAL N . 11111 1 830 . 1 1 75 75 VAL H H 1 8.609 0.030 . 1 . . . . 75 VAL H . 11111 1 831 . 1 1 75 75 VAL HA H 1 4.240 0.030 . 1 . . . . 75 VAL HA . 11111 1 832 . 1 1 75 75 VAL HB H 1 2.147 0.030 . 1 . . . . 75 VAL HB . 11111 1 833 . 1 1 75 75 VAL HG11 H 1 1.041 0.030 . 1 . . . . 75 VAL HG1 . 11111 1 834 . 1 1 75 75 VAL HG12 H 1 1.041 0.030 . 1 . . . . 75 VAL HG1 . 11111 1 835 . 1 1 75 75 VAL HG13 H 1 1.041 0.030 . 1 . . . . 75 VAL HG1 . 11111 1 836 . 1 1 75 75 VAL HG21 H 1 1.050 0.030 . 1 . . . . 75 VAL HG2 . 11111 1 837 . 1 1 75 75 VAL HG22 H 1 1.050 0.030 . 1 . . . . 75 VAL HG2 . 11111 1 838 . 1 1 75 75 VAL HG23 H 1 1.050 0.030 . 1 . . . . 75 VAL HG2 . 11111 1 839 . 1 1 75 75 VAL C C 13 176.528 0.300 . 1 . . . . 75 VAL C . 11111 1 840 . 1 1 75 75 VAL CA C 13 63.527 0.300 . 1 . . . . 75 VAL CA . 11111 1 841 . 1 1 75 75 VAL CB C 13 32.095 0.300 . 1 . . . . 75 VAL CB . 11111 1 842 . 1 1 75 75 VAL CG1 C 13 21.248 0.300 . 2 . . . . 75 VAL CG1 . 11111 1 843 . 1 1 75 75 VAL CG2 C 13 21.080 0.300 . 2 . . . . 75 VAL CG2 . 11111 1 844 . 1 1 75 75 VAL N N 15 127.509 0.300 . 1 . . . . 75 VAL N . 11111 1 845 . 1 1 76 76 GLY H H 1 7.944 0.030 . 1 . . . . 76 GLY H . 11111 1 846 . 1 1 76 76 GLY HA2 H 1 3.681 0.030 . 2 . . . . 76 GLY HA2 . 11111 1 847 . 1 1 76 76 GLY HA3 H 1 4.215 0.030 . 2 . . . . 76 GLY HA3 . 11111 1 848 . 1 1 76 76 GLY C C 13 172.367 0.300 . 1 . . . . 76 GLY C . 11111 1 849 . 1 1 76 76 GLY CA C 13 44.531 0.300 . 1 . . . . 76 GLY CA . 11111 1 850 . 1 1 76 76 GLY N N 15 114.048 0.300 . 1 . . . . 76 GLY N . 11111 1 851 . 1 1 77 77 ASN H H 1 8.245 0.030 . 1 . . . . 77 ASN H . 11111 1 852 . 1 1 77 77 ASN HA H 1 4.985 0.030 . 1 . . . . 77 ASN HA . 11111 1 853 . 1 1 77 77 ASN HB2 H 1 2.942 0.030 . 2 . . . . 77 ASN HB2 . 11111 1 854 . 1 1 77 77 ASN HB3 H 1 2.827 0.030 . 2 . . . . 77 ASN HB3 . 11111 1 855 . 1 1 77 77 ASN HD21 H 1 7.504 0.030 . 2 . . . . 77 ASN HD21 . 11111 1 856 . 1 1 77 77 ASN HD22 H 1 6.606 0.030 . 2 . . . . 77 ASN HD22 . 11111 1 857 . 1 1 77 77 ASN C C 13 175.296 0.300 . 1 . . . . 77 ASN C . 11111 1 858 . 1 1 77 77 ASN CA C 13 52.077 0.300 . 1 . . . . 77 ASN CA . 11111 1 859 . 1 1 77 77 ASN CB C 13 37.059 0.300 . 1 . . . . 77 ASN CB . 11111 1 860 . 1 1 77 77 ASN N N 15 116.524 0.300 . 1 . . . . 77 ASN N . 11111 1 861 . 1 1 77 77 ASN ND2 N 15 109.649 0.300 . 1 . . . . 77 ASN ND2 . 11111 1 862 . 1 1 78 78 ARG H H 1 7.573 0.030 . 1 . . . . 78 ARG H . 11111 1 863 . 1 1 78 78 ARG HA H 1 4.343 0.030 . 1 . . . . 78 ARG HA . 11111 1 864 . 1 1 78 78 ARG HB2 H 1 1.897 0.030 . 2 . . . . 78 ARG HB2 . 11111 1 865 . 1 1 78 78 ARG HB3 H 1 1.753 0.030 . 2 . . . . 78 ARG HB3 . 11111 1 866 . 1 1 78 78 ARG HD2 H 1 3.376 0.030 . 2 . . . . 78 ARG HD2 . 11111 1 867 . 1 1 78 78 ARG HD3 H 1 3.329 0.030 . 2 . . . . 78 ARG HD3 . 11111 1 868 . 1 1 78 78 ARG HG2 H 1 1.709 0.030 . 1 . . . . 78 ARG HG2 . 11111 1 869 . 1 1 78 78 ARG HG3 H 1 1.709 0.030 . 1 . . . . 78 ARG HG3 . 11111 1 870 . 1 1 78 78 ARG C C 13 173.599 0.300 . 1 . . . . 78 ARG C . 11111 1 871 . 1 1 78 78 ARG CA C 13 55.256 0.300 . 1 . . . . 78 ARG CA . 11111 1 872 . 1 1 78 78 ARG CB C 13 32.538 0.300 . 1 . . . . 78 ARG CB . 11111 1 873 . 1 1 78 78 ARG CD C 13 43.707 0.300 . 1 . . . . 78 ARG CD . 11111 1 874 . 1 1 78 78 ARG CG C 13 27.517 0.300 . 1 . . . . 78 ARG CG . 11111 1 875 . 1 1 78 78 ARG N N 15 121.953 0.300 . 1 . . . . 78 ARG N . 11111 1 876 . 1 1 79 79 LEU H H 1 7.554 0.030 . 1 . . . . 79 LEU H . 11111 1 877 . 1 1 79 79 LEU HA H 1 3.061 0.030 . 1 . . . . 79 LEU HA . 11111 1 878 . 1 1 79 79 LEU HB2 H 1 1.702 0.030 . 2 . . . . 79 LEU HB2 . 11111 1 879 . 1 1 79 79 LEU HB3 H 1 0.897 0.030 . 2 . . . . 79 LEU HB3 . 11111 1 880 . 1 1 79 79 LEU HD11 H 1 0.846 0.030 . 1 . . . . 79 LEU HD1 . 11111 1 881 . 1 1 79 79 LEU HD12 H 1 0.846 0.030 . 1 . . . . 79 LEU HD1 . 11111 1 882 . 1 1 79 79 LEU HD13 H 1 0.846 0.030 . 1 . . . . 79 LEU HD1 . 11111 1 883 . 1 1 79 79 LEU HD21 H 1 0.465 0.030 . 1 . . . . 79 LEU HD2 . 11111 1 884 . 1 1 79 79 LEU HD22 H 1 0.465 0.030 . 1 . . . . 79 LEU HD2 . 11111 1 885 . 1 1 79 79 LEU HD23 H 1 0.465 0.030 . 1 . . . . 79 LEU HD2 . 11111 1 886 . 1 1 79 79 LEU HG H 1 1.277 0.030 . 1 . . . . 79 LEU HG . 11111 1 887 . 1 1 79 79 LEU C C 13 174.185 0.300 . 1 . . . . 79 LEU C . 11111 1 888 . 1 1 79 79 LEU CA C 13 52.912 0.300 . 1 . . . . 79 LEU CA . 11111 1 889 . 1 1 79 79 LEU CB C 13 40.995 0.300 . 1 . . . . 79 LEU CB . 11111 1 890 . 1 1 79 79 LEU CD1 C 13 25.911 0.300 . 2 . . . . 79 LEU CD1 . 11111 1 891 . 1 1 79 79 LEU CD2 C 13 22.155 0.300 . 2 . . . . 79 LEU CD2 . 11111 1 892 . 1 1 79 79 LEU CG C 13 26.730 0.300 . 1 . . . . 79 LEU CG . 11111 1 893 . 1 1 79 79 LEU N N 15 116.626 0.300 . 1 . . . . 79 LEU N . 11111 1 894 . 1 1 80 80 THR H H 1 6.492 0.030 . 1 . . . . 80 THR H . 11111 1 895 . 1 1 80 80 THR HA H 1 5.012 0.030 . 1 . . . . 80 THR HA . 11111 1 896 . 1 1 80 80 THR HB H 1 3.707 0.030 . 1 . . . . 80 THR HB . 11111 1 897 . 1 1 80 80 THR HG21 H 1 0.902 0.030 . 1 . . . . 80 THR HG2 . 11111 1 898 . 1 1 80 80 THR HG22 H 1 0.902 0.030 . 1 . . . . 80 THR HG2 . 11111 1 899 . 1 1 80 80 THR HG23 H 1 0.902 0.030 . 1 . . . . 80 THR HG2 . 11111 1 900 . 1 1 80 80 THR C C 13 172.407 0.300 . 1 . . . . 80 THR C . 11111 1 901 . 1 1 80 80 THR CA C 13 58.446 0.300 . 1 . . . . 80 THR CA . 11111 1 902 . 1 1 80 80 THR CB C 13 70.767 0.300 . 1 . . . . 80 THR CB . 11111 1 903 . 1 1 80 80 THR CG2 C 13 18.974 0.300 . 1 . . . . 80 THR CG2 . 11111 1 904 . 1 1 80 80 THR N N 15 110.711 0.300 . 1 . . . . 80 THR N . 11111 1 905 . 1 1 81 81 HIS H H 1 8.819 0.030 . 1 . . . . 81 HIS H . 11111 1 906 . 1 1 81 81 HIS HA H 1 4.889 0.030 . 1 . . . . 81 HIS HA . 11111 1 907 . 1 1 81 81 HIS HB2 H 1 2.629 0.030 . 2 . . . . 81 HIS HB2 . 11111 1 908 . 1 1 81 81 HIS HB3 H 1 3.364 0.030 . 2 . . . . 81 HIS HB3 . 11111 1 909 . 1 1 81 81 HIS HD2 H 1 6.360 0.030 . 1 . . . . 81 HIS HD2 . 11111 1 910 . 1 1 81 81 HIS HE1 H 1 7.974 0.030 . 1 . . . . 81 HIS HE1 . 11111 1 911 . 1 1 81 81 HIS C C 13 172.347 0.300 . 1 . . . . 81 HIS C . 11111 1 912 . 1 1 81 81 HIS CA C 13 56.487 0.300 . 1 . . . . 81 HIS CA . 11111 1 913 . 1 1 81 81 HIS CB C 13 35.693 0.300 . 1 . . . . 81 HIS CB . 11111 1 914 . 1 1 81 81 HIS CD2 C 13 117.325 0.300 . 1 . . . . 81 HIS CD2 . 11111 1 915 . 1 1 81 81 HIS CE1 C 13 139.655 0.300 . 1 . . . . 81 HIS CE1 . 11111 1 916 . 1 1 81 81 HIS N N 15 124.574 0.300 . 1 . . . . 81 HIS N . 11111 1 917 . 1 1 82 82 GLN H H 1 7.180 0.030 . 1 . . . . 82 GLN H . 11111 1 918 . 1 1 82 82 GLN HA H 1 5.246 0.030 . 1 . . . . 82 GLN HA . 11111 1 919 . 1 1 82 82 GLN HB2 H 1 1.668 0.030 . 1 . . . . 82 GLN HB2 . 11111 1 920 . 1 1 82 82 GLN HB3 H 1 1.668 0.030 . 1 . . . . 82 GLN HB3 . 11111 1 921 . 1 1 82 82 GLN HE21 H 1 7.239 0.030 . 2 . . . . 82 GLN HE21 . 11111 1 922 . 1 1 82 82 GLN HE22 H 1 6.823 0.030 . 2 . . . . 82 GLN HE22 . 11111 1 923 . 1 1 82 82 GLN HG2 H 1 2.195 0.030 . 2 . . . . 82 GLN HG2 . 11111 1 924 . 1 1 82 82 GLN HG3 H 1 1.988 0.030 . 2 . . . . 82 GLN HG3 . 11111 1 925 . 1 1 82 82 GLN C C 13 174.246 0.300 . 1 . . . . 82 GLN C . 11111 1 926 . 1 1 82 82 GLN CA C 13 54.003 0.300 . 1 . . . . 82 GLN CA . 11111 1 927 . 1 1 82 82 GLN CB C 13 31.017 0.300 . 1 . . . . 82 GLN CB . 11111 1 928 . 1 1 82 82 GLN CG C 13 34.583 0.300 . 1 . . . . 82 GLN CG . 11111 1 929 . 1 1 82 82 GLN N N 15 123.825 0.300 . 1 . . . . 82 GLN N . 11111 1 930 . 1 1 82 82 GLN NE2 N 15 110.601 0.300 . 1 . . . . 82 GLN NE2 . 11111 1 931 . 1 1 83 83 ILE H H 1 8.321 0.030 . 1 . . . . 83 ILE H . 11111 1 932 . 1 1 83 83 ILE HA H 1 4.104 0.030 . 1 . . . . 83 ILE HA . 11111 1 933 . 1 1 83 83 ILE HB H 1 1.216 0.030 . 1 . . . . 83 ILE HB . 11111 1 934 . 1 1 83 83 ILE HD11 H 1 0.724 0.030 . 1 . . . . 83 ILE HD1 . 11111 1 935 . 1 1 83 83 ILE HD12 H 1 0.724 0.030 . 1 . . . . 83 ILE HD1 . 11111 1 936 . 1 1 83 83 ILE HD13 H 1 0.724 0.030 . 1 . . . . 83 ILE HD1 . 11111 1 937 . 1 1 83 83 ILE HG12 H 1 1.334 0.030 . 2 . . . . 83 ILE HG12 . 11111 1 938 . 1 1 83 83 ILE HG13 H 1 0.877 0.030 . 2 . . . . 83 ILE HG13 . 11111 1 939 . 1 1 83 83 ILE HG21 H 1 0.666 0.030 . 1 . . . . 83 ILE HG2 . 11111 1 940 . 1 1 83 83 ILE HG22 H 1 0.666 0.030 . 1 . . . . 83 ILE HG2 . 11111 1 941 . 1 1 83 83 ILE HG23 H 1 0.666 0.030 . 1 . . . . 83 ILE HG2 . 11111 1 942 . 1 1 83 83 ILE C C 13 173.842 0.300 . 1 . . . . 83 ILE C . 11111 1 943 . 1 1 83 83 ILE CA C 13 60.905 0.300 . 1 . . . . 83 ILE CA . 11111 1 944 . 1 1 83 83 ILE CB C 13 40.090 0.300 . 1 . . . . 83 ILE CB . 11111 1 945 . 1 1 83 83 ILE CD1 C 13 13.983 0.300 . 1 . . . . 83 ILE CD1 . 11111 1 946 . 1 1 83 83 ILE CG1 C 13 28.196 0.300 . 1 . . . . 83 ILE CG1 . 11111 1 947 . 1 1 83 83 ILE CG2 C 13 17.430 0.300 . 1 . . . . 83 ILE CG2 . 11111 1 948 . 1 1 83 83 ILE N N 15 123.580 0.300 . 1 . . . . 83 ILE N . 11111 1 949 . 1 1 84 84 GLN H H 1 8.413 0.030 . 1 . . . . 84 GLN H . 11111 1 950 . 1 1 84 84 GLN HA H 1 4.943 0.030 . 1 . . . . 84 GLN HA . 11111 1 951 . 1 1 84 84 GLN HB2 H 1 1.965 0.030 . 2 . . . . 84 GLN HB2 . 11111 1 952 . 1 1 84 84 GLN HB3 H 1 2.175 0.030 . 2 . . . . 84 GLN HB3 . 11111 1 953 . 1 1 84 84 GLN HE21 H 1 7.567 0.030 . 2 . . . . 84 GLN HE21 . 11111 1 954 . 1 1 84 84 GLN HE22 H 1 6.811 0.030 . 2 . . . . 84 GLN HE22 . 11111 1 955 . 1 1 84 84 GLN HG2 H 1 2.329 0.030 . 2 . . . . 84 GLN HG2 . 11111 1 956 . 1 1 84 84 GLN HG3 H 1 2.206 0.030 . 2 . . . . 84 GLN HG3 . 11111 1 957 . 1 1 84 84 GLN C C 13 174.569 0.300 . 1 . . . . 84 GLN C . 11111 1 958 . 1 1 84 84 GLN CA C 13 54.723 0.300 . 1 . . . . 84 GLN CA . 11111 1 959 . 1 1 84 84 GLN CB C 13 32.282 0.300 . 1 . . . . 84 GLN CB . 11111 1 960 . 1 1 84 84 GLN CG C 13 34.187 0.300 . 1 . . . . 84 GLN CG . 11111 1 961 . 1 1 84 84 GLN N N 15 123.398 0.300 . 1 . . . . 84 GLN N . 11111 1 962 . 1 1 84 84 GLN NE2 N 15 112.442 0.300 . 1 . . . . 84 GLN NE2 . 11111 1 963 . 1 1 85 85 GLU H H 1 8.152 0.030 . 1 . . . . 85 GLU H . 11111 1 964 . 1 1 85 85 GLU HA H 1 3.744 0.030 . 1 . . . . 85 GLU HA . 11111 1 965 . 1 1 85 85 GLU HB2 H 1 2.029 0.030 . 2 . . . . 85 GLU HB2 . 11111 1 966 . 1 1 85 85 GLU HB3 H 1 2.315 0.030 . 2 . . . . 85 GLU HB3 . 11111 1 967 . 1 1 85 85 GLU HG2 H 1 2.297 0.030 . 2 . . . . 85 GLU HG2 . 11111 1 968 . 1 1 85 85 GLU HG3 H 1 2.111 0.030 . 2 . . . . 85 GLU HG3 . 11111 1 969 . 1 1 85 85 GLU C C 13 176.003 0.300 . 1 . . . . 85 GLU C . 11111 1 970 . 1 1 85 85 GLU CA C 13 56.954 0.300 . 1 . . . . 85 GLU CA . 11111 1 971 . 1 1 85 85 GLU CB C 13 26.614 0.300 . 1 . . . . 85 GLU CB . 11111 1 972 . 1 1 85 85 GLU CG C 13 36.262 0.300 . 1 . . . . 85 GLU CG . 11111 1 973 . 1 1 85 85 GLU N N 15 112.532 0.300 . 1 . . . . 85 GLU N . 11111 1 974 . 1 1 86 86 LEU H H 1 8.794 0.030 . 1 . . . . 86 LEU H . 11111 1 975 . 1 1 86 86 LEU HA H 1 4.387 0.030 . 1 . . . . 86 LEU HA . 11111 1 976 . 1 1 86 86 LEU HB2 H 1 1.370 0.030 . 1 . . . . 86 LEU HB2 . 11111 1 977 . 1 1 86 86 LEU HB3 H 1 1.370 0.030 . 1 . . . . 86 LEU HB3 . 11111 1 978 . 1 1 86 86 LEU HD11 H 1 0.084 0.030 . 1 . . . . 86 LEU HD1 . 11111 1 979 . 1 1 86 86 LEU HD12 H 1 0.084 0.030 . 1 . . . . 86 LEU HD1 . 11111 1 980 . 1 1 86 86 LEU HD13 H 1 0.084 0.030 . 1 . . . . 86 LEU HD1 . 11111 1 981 . 1 1 86 86 LEU HD21 H 1 0.229 0.030 . 1 . . . . 86 LEU HD2 . 11111 1 982 . 1 1 86 86 LEU HD22 H 1 0.229 0.030 . 1 . . . . 86 LEU HD2 . 11111 1 983 . 1 1 86 86 LEU HD23 H 1 0.229 0.030 . 1 . . . . 86 LEU HD2 . 11111 1 984 . 1 1 86 86 LEU HG H 1 1.234 0.030 . 1 . . . . 86 LEU HG . 11111 1 985 . 1 1 86 86 LEU C C 13 176.670 0.300 . 1 . . . . 86 LEU C . 11111 1 986 . 1 1 86 86 LEU CA C 13 55.152 0.300 . 1 . . . . 86 LEU CA . 11111 1 987 . 1 1 86 86 LEU CB C 13 40.770 0.300 . 1 . . . . 86 LEU CB . 11111 1 988 . 1 1 86 86 LEU CD1 C 13 25.818 0.300 . 2 . . . . 86 LEU CD1 . 11111 1 989 . 1 1 86 86 LEU CD2 C 13 21.329 0.300 . 2 . . . . 86 LEU CD2 . 11111 1 990 . 1 1 86 86 LEU CG C 13 27.015 0.300 . 1 . . . . 86 LEU CG . 11111 1 991 . 1 1 86 86 LEU N N 15 121.184 0.300 . 1 . . . . 86 LEU N . 11111 1 992 . 1 1 87 87 THR H H 1 8.424 0.030 . 1 . . . . 87 THR H . 11111 1 993 . 1 1 87 87 THR HA H 1 4.281 0.030 . 1 . . . . 87 THR HA . 11111 1 994 . 1 1 87 87 THR HB H 1 4.182 0.030 . 1 . . . . 87 THR HB . 11111 1 995 . 1 1 87 87 THR HG21 H 1 1.408 0.030 . 1 . . . . 87 THR HG2 . 11111 1 996 . 1 1 87 87 THR HG22 H 1 1.408 0.030 . 1 . . . . 87 THR HG2 . 11111 1 997 . 1 1 87 87 THR HG23 H 1 1.408 0.030 . 1 . . . . 87 THR HG2 . 11111 1 998 . 1 1 87 87 THR C C 13 175.579 0.300 . 1 . . . . 87 THR C . 11111 1 999 . 1 1 87 87 THR CA C 13 62.608 0.300 . 1 . . . . 87 THR CA . 11111 1 1000 . 1 1 87 87 THR CB C 13 69.668 0.300 . 1 . . . . 87 THR CB . 11111 1 1001 . 1 1 87 87 THR CG2 C 13 22.475 0.300 . 1 . . . . 87 THR CG2 . 11111 1 1002 . 1 1 87 87 THR N N 15 114.980 0.300 . 1 . . . . 87 THR N . 11111 1 1003 . 1 1 88 88 LEU H H 1 8.540 0.030 . 1 . . . . 88 LEU H . 11111 1 1004 . 1 1 88 88 LEU HA H 1 4.155 0.030 . 1 . . . . 88 LEU HA . 11111 1 1005 . 1 1 88 88 LEU HB2 H 1 1.838 0.030 . 2 . . . . 88 LEU HB2 . 11111 1 1006 . 1 1 88 88 LEU HB3 H 1 1.714 0.030 . 2 . . . . 88 LEU HB3 . 11111 1 1007 . 1 1 88 88 LEU HD11 H 1 0.903 0.030 . 1 . . . . 88 LEU HD1 . 11111 1 1008 . 1 1 88 88 LEU HD12 H 1 0.903 0.030 . 1 . . . . 88 LEU HD1 . 11111 1 1009 . 1 1 88 88 LEU HD13 H 1 0.903 0.030 . 1 . . . . 88 LEU HD1 . 11111 1 1010 . 1 1 88 88 LEU HD21 H 1 0.721 0.030 . 1 . . . . 88 LEU HD2 . 11111 1 1011 . 1 1 88 88 LEU HD22 H 1 0.721 0.030 . 1 . . . . 88 LEU HD2 . 11111 1 1012 . 1 1 88 88 LEU HD23 H 1 0.721 0.030 . 1 . . . . 88 LEU HD2 . 11111 1 1013 . 1 1 88 88 LEU HG H 1 1.702 0.030 . 1 . . . . 88 LEU HG . 11111 1 1014 . 1 1 88 88 LEU C C 13 178.185 0.300 . 1 . . . . 88 LEU C . 11111 1 1015 . 1 1 88 88 LEU CA C 13 55.723 0.300 . 1 . . . . 88 LEU CA . 11111 1 1016 . 1 1 88 88 LEU CB C 13 41.021 0.300 . 1 . . . . 88 LEU CB . 11111 1 1017 . 1 1 88 88 LEU CD1 C 13 25.852 0.300 . 2 . . . . 88 LEU CD1 . 11111 1 1018 . 1 1 88 88 LEU CD2 C 13 22.697 0.300 . 2 . . . . 88 LEU CD2 . 11111 1 1019 . 1 1 88 88 LEU CG C 13 26.977 0.300 . 1 . . . . 88 LEU CG . 11111 1 1020 . 1 1 88 88 LEU N N 15 124.939 0.300 . 1 . . . . 88 LEU N . 11111 1 1021 . 1 1 89 89 ASP H H 1 7.997 0.030 . 1 . . . . 89 ASP H . 11111 1 1022 . 1 1 89 89 ASP HA H 1 4.299 0.030 . 1 . . . . 89 ASP HA . 11111 1 1023 . 1 1 89 89 ASP HB2 H 1 2.030 0.030 . 2 . . . . 89 ASP HB2 . 11111 1 1024 . 1 1 89 89 ASP HB3 H 1 3.001 0.030 . 2 . . . . 89 ASP HB3 . 11111 1 1025 . 1 1 89 89 ASP C C 13 174.731 0.300 . 1 . . . . 89 ASP C . 11111 1 1026 . 1 1 89 89 ASP CA C 13 54.139 0.300 . 1 . . . . 89 ASP CA . 11111 1 1027 . 1 1 89 89 ASP CB C 13 41.177 0.300 . 1 . . . . 89 ASP CB . 11111 1 1028 . 1 1 89 89 ASP N N 15 125.862 0.300 . 1 . . . . 89 ASP N . 11111 1 1029 . 1 1 90 90 THR H H 1 8.186 0.030 . 1 . . . . 90 THR H . 11111 1 1030 . 1 1 90 90 THR HB H 1 3.757 0.030 . 1 . . . . 90 THR HB . 11111 1 1031 . 1 1 90 90 THR HG21 H 1 0.663 0.030 . 1 . . . . 90 THR HG2 . 11111 1 1032 . 1 1 90 90 THR HG22 H 1 0.663 0.030 . 1 . . . . 90 THR HG2 . 11111 1 1033 . 1 1 90 90 THR HG23 H 1 0.663 0.030 . 1 . . . . 90 THR HG2 . 11111 1 1034 . 1 1 90 90 THR C C 13 171.306 0.300 . 1 . . . . 90 THR C . 11111 1 1035 . 1 1 90 90 THR CA C 13 60.791 0.300 . 1 . . . . 90 THR CA . 11111 1 1036 . 1 1 90 90 THR CB C 13 73.717 0.300 . 1 . . . . 90 THR CB . 11111 1 1037 . 1 1 90 90 THR CG2 C 13 19.506 0.300 . 1 . . . . 90 THR CG2 . 11111 1 1038 . 1 1 90 90 THR N N 15 113.471 0.300 . 1 . . . . 90 THR N . 11111 1 1039 . 1 1 91 91 PRO HA H 1 4.504 0.030 . 1 . . . . 91 PRO HA . 11111 1 1040 . 1 1 91 91 PRO HB2 H 1 2.035 0.030 . 2 . . . . 91 PRO HB2 . 11111 1 1041 . 1 1 91 91 PRO HB3 H 1 1.822 0.030 . 2 . . . . 91 PRO HB3 . 11111 1 1042 . 1 1 91 91 PRO HD2 H 1 3.694 0.030 . 2 . . . . 91 PRO HD2 . 11111 1 1043 . 1 1 91 91 PRO HD3 H 1 3.642 0.030 . 2 . . . . 91 PRO HD3 . 11111 1 1044 . 1 1 91 91 PRO HG2 H 1 2.249 0.030 . 2 . . . . 91 PRO HG2 . 11111 1 1045 . 1 1 91 91 PRO HG3 H 1 1.790 0.030 . 2 . . . . 91 PRO HG3 . 11111 1 1046 . 1 1 91 91 PRO C C 13 174.104 0.300 . 1 . . . . 91 PRO C . 11111 1 1047 . 1 1 91 91 PRO CA C 13 62.294 0.300 . 1 . . . . 91 PRO CA . 11111 1 1048 . 1 1 91 91 PRO CB C 13 31.186 0.300 . 1 . . . . 91 PRO CB . 11111 1 1049 . 1 1 91 91 PRO CD C 13 51.639 0.300 . 1 . . . . 91 PRO CD . 11111 1 1050 . 1 1 91 91 PRO CG C 13 27.751 0.300 . 1 . . . . 91 PRO CG . 11111 1 1051 . 1 1 92 92 TYR H H 1 8.833 0.030 . 1 . . . . 92 TYR H . 11111 1 1052 . 1 1 92 92 TYR HA H 1 4.630 0.030 . 1 . . . . 92 TYR HA . 11111 1 1053 . 1 1 92 92 TYR HB2 H 1 2.525 0.030 . 2 . . . . 92 TYR HB2 . 11111 1 1054 . 1 1 92 92 TYR HB3 H 1 2.931 0.030 . 2 . . . . 92 TYR HB3 . 11111 1 1055 . 1 1 92 92 TYR HD1 H 1 7.013 0.030 . 1 . . . . 92 TYR HD1 . 11111 1 1056 . 1 1 92 92 TYR HD2 H 1 7.013 0.030 . 1 . . . . 92 TYR HD2 . 11111 1 1057 . 1 1 92 92 TYR HE1 H 1 6.977 0.030 . 1 . . . . 92 TYR HE1 . 11111 1 1058 . 1 1 92 92 TYR HE2 H 1 6.977 0.030 . 1 . . . . 92 TYR HE2 . 11111 1 1059 . 1 1 92 92 TYR C C 13 173.741 0.300 . 1 . . . . 92 TYR C . 11111 1 1060 . 1 1 92 92 TYR CA C 13 57.669 0.300 . 1 . . . . 92 TYR CA . 11111 1 1061 . 1 1 92 92 TYR CB C 13 45.363 0.300 . 1 . . . . 92 TYR CB . 11111 1 1062 . 1 1 92 92 TYR CD1 C 13 132.954 0.300 . 1 . . . . 92 TYR CD1 . 11111 1 1063 . 1 1 92 92 TYR CD2 C 13 132.954 0.300 . 1 . . . . 92 TYR CD2 . 11111 1 1064 . 1 1 92 92 TYR CE1 C 13 118.650 0.300 . 1 . . . . 92 TYR CE1 . 11111 1 1065 . 1 1 92 92 TYR CE2 C 13 118.650 0.300 . 1 . . . . 92 TYR CE2 . 11111 1 1066 . 1 1 92 92 TYR N N 15 123.535 0.300 . 1 . . . . 92 TYR N . 11111 1 1067 . 1 1 93 93 TYR H H 1 8.416 0.030 . 1 . . . . 93 TYR H . 11111 1 1068 . 1 1 93 93 TYR HA H 1 5.439 0.030 . 1 . . . . 93 TYR HA . 11111 1 1069 . 1 1 93 93 TYR HB2 H 1 2.354 0.030 . 2 . . . . 93 TYR HB2 . 11111 1 1070 . 1 1 93 93 TYR HB3 H 1 2.728 0.030 . 2 . . . . 93 TYR HB3 . 11111 1 1071 . 1 1 93 93 TYR HD1 H 1 6.780 0.030 . 1 . . . . 93 TYR HD1 . 11111 1 1072 . 1 1 93 93 TYR HD2 H 1 6.780 0.030 . 1 . . . . 93 TYR HD2 . 11111 1 1073 . 1 1 93 93 TYR HE1 H 1 6.655 0.030 . 1 . . . . 93 TYR HE1 . 11111 1 1074 . 1 1 93 93 TYR HE2 H 1 6.655 0.030 . 1 . . . . 93 TYR HE2 . 11111 1 1075 . 1 1 93 93 TYR C C 13 175.074 0.300 . 1 . . . . 93 TYR C . 11111 1 1076 . 1 1 93 93 TYR CA C 13 56.340 0.300 . 1 . . . . 93 TYR CA . 11111 1 1077 . 1 1 93 93 TYR CB C 13 41.896 0.300 . 1 . . . . 93 TYR CB . 11111 1 1078 . 1 1 93 93 TYR CD1 C 13 133.440 0.300 . 1 . . . . 93 TYR CD1 . 11111 1 1079 . 1 1 93 93 TYR CD2 C 13 133.440 0.300 . 1 . . . . 93 TYR CD2 . 11111 1 1080 . 1 1 93 93 TYR CE1 C 13 117.590 0.300 . 1 . . . . 93 TYR CE1 . 11111 1 1081 . 1 1 93 93 TYR CE2 C 13 117.590 0.300 . 1 . . . . 93 TYR CE2 . 11111 1 1082 . 1 1 93 93 TYR N N 15 116.787 0.300 . 1 . . . . 93 TYR N . 11111 1 1083 . 1 1 94 94 PHE H H 1 9.029 0.030 . 1 . . . . 94 PHE H . 11111 1 1084 . 1 1 94 94 PHE HA H 1 5.889 0.030 . 1 . . . . 94 PHE HA . 11111 1 1085 . 1 1 94 94 PHE HB2 H 1 2.851 0.030 . 2 . . . . 94 PHE HB2 . 11111 1 1086 . 1 1 94 94 PHE HB3 H 1 2.685 0.030 . 2 . . . . 94 PHE HB3 . 11111 1 1087 . 1 1 94 94 PHE HD1 H 1 7.067 0.030 . 1 . . . . 94 PHE HD1 . 11111 1 1088 . 1 1 94 94 PHE HD2 H 1 7.067 0.030 . 1 . . . . 94 PHE HD2 . 11111 1 1089 . 1 1 94 94 PHE HE1 H 1 6.820 0.030 . 1 . . . . 94 PHE HE1 . 11111 1 1090 . 1 1 94 94 PHE HE2 H 1 6.820 0.030 . 1 . . . . 94 PHE HE2 . 11111 1 1091 . 1 1 94 94 PHE HZ H 1 6.476 0.030 . 1 . . . . 94 PHE HZ . 11111 1 1092 . 1 1 94 94 PHE C C 13 176.347 0.300 . 1 . . . . 94 PHE C . 11111 1 1093 . 1 1 94 94 PHE CA C 13 57.254 0.300 . 1 . . . . 94 PHE CA . 11111 1 1094 . 1 1 94 94 PHE CB C 13 43.334 0.300 . 1 . . . . 94 PHE CB . 11111 1 1095 . 1 1 94 94 PHE CD1 C 13 131.823 0.300 . 1 . . . . 94 PHE CD1 . 11111 1 1096 . 1 1 94 94 PHE CD2 C 13 131.823 0.300 . 1 . . . . 94 PHE CD2 . 11111 1 1097 . 1 1 94 94 PHE CE1 C 13 131.007 0.300 . 1 . . . . 94 PHE CE1 . 11111 1 1098 . 1 1 94 94 PHE CE2 C 13 131.007 0.300 . 1 . . . . 94 PHE CE2 . 11111 1 1099 . 1 1 94 94 PHE CZ C 13 128.957 0.300 . 1 . . . . 94 PHE CZ . 11111 1 1100 . 1 1 94 94 PHE N N 15 116.223 0.300 . 1 . . . . 94 PHE N . 11111 1 1101 . 1 1 95 95 LYS H H 1 9.705 0.030 . 1 . . . . 95 LYS H . 11111 1 1102 . 1 1 95 95 LYS HA H 1 4.571 0.030 . 1 . . . . 95 LYS HA . 11111 1 1103 . 1 1 95 95 LYS HB2 H 1 1.607 0.030 . 2 . . . . 95 LYS HB2 . 11111 1 1104 . 1 1 95 95 LYS HB3 H 1 1.537 0.030 . 2 . . . . 95 LYS HB3 . 11111 1 1105 . 1 1 95 95 LYS HD2 H 1 0.945 0.030 . 1 . . . . 95 LYS HD2 . 11111 1 1106 . 1 1 95 95 LYS HD3 H 1 0.945 0.030 . 1 . . . . 95 LYS HD3 . 11111 1 1107 . 1 1 95 95 LYS HE2 H 1 2.198 0.030 . 2 . . . . 95 LYS HE2 . 11111 1 1108 . 1 1 95 95 LYS HE3 H 1 1.692 0.030 . 2 . . . . 95 LYS HE3 . 11111 1 1109 . 1 1 95 95 LYS HG2 H 1 1.246 0.030 . 1 . . . . 95 LYS HG2 . 11111 1 1110 . 1 1 95 95 LYS HG3 H 1 1.246 0.030 . 1 . . . . 95 LYS HG3 . 11111 1 1111 . 1 1 95 95 LYS C C 13 173.700 0.300 . 1 . . . . 95 LYS C . 11111 1 1112 . 1 1 95 95 LYS CA C 13 55.888 0.300 . 1 . . . . 95 LYS CA . 11111 1 1113 . 1 1 95 95 LYS CB C 13 37.470 0.300 . 1 . . . . 95 LYS CB . 11111 1 1114 . 1 1 95 95 LYS CD C 13 30.359 0.300 . 1 . . . . 95 LYS CD . 11111 1 1115 . 1 1 95 95 LYS CE C 13 41.194 0.300 . 1 . . . . 95 LYS CE . 11111 1 1116 . 1 1 95 95 LYS CG C 13 24.704 0.300 . 1 . . . . 95 LYS CG . 11111 1 1117 . 1 1 95 95 LYS N N 15 120.882 0.300 . 1 . . . . 95 LYS N . 11111 1 1118 . 1 1 96 96 ILE H H 1 8.581 0.030 . 1 . . . . 96 ILE H . 11111 1 1119 . 1 1 96 96 ILE HA H 1 5.449 0.030 . 1 . . . . 96 ILE HA . 11111 1 1120 . 1 1 96 96 ILE HB H 1 1.194 0.030 . 1 . . . . 96 ILE HB . 11111 1 1121 . 1 1 96 96 ILE HD11 H 1 -0.212 0.030 . 1 . . . . 96 ILE HD1 . 11111 1 1122 . 1 1 96 96 ILE HD12 H 1 -0.212 0.030 . 1 . . . . 96 ILE HD1 . 11111 1 1123 . 1 1 96 96 ILE HD13 H 1 -0.212 0.030 . 1 . . . . 96 ILE HD1 . 11111 1 1124 . 1 1 96 96 ILE HG12 H 1 1.228 0.030 . 2 . . . . 96 ILE HG12 . 11111 1 1125 . 1 1 96 96 ILE HG13 H 1 0.830 0.030 . 2 . . . . 96 ILE HG13 . 11111 1 1126 . 1 1 96 96 ILE HG21 H 1 0.165 0.030 . 1 . . . . 96 ILE HG2 . 11111 1 1127 . 1 1 96 96 ILE HG22 H 1 0.165 0.030 . 1 . . . . 96 ILE HG2 . 11111 1 1128 . 1 1 96 96 ILE HG23 H 1 0.165 0.030 . 1 . . . . 96 ILE HG2 . 11111 1 1129 . 1 1 96 96 ILE C C 13 174.104 0.300 . 1 . . . . 96 ILE C . 11111 1 1130 . 1 1 96 96 ILE CA C 13 59.384 0.300 . 1 . . . . 96 ILE CA . 11111 1 1131 . 1 1 96 96 ILE CB C 13 40.777 0.300 . 1 . . . . 96 ILE CB . 11111 1 1132 . 1 1 96 96 ILE CD1 C 13 13.372 0.300 . 1 . . . . 96 ILE CD1 . 11111 1 1133 . 1 1 96 96 ILE CG1 C 13 27.468 0.300 . 1 . . . . 96 ILE CG1 . 11111 1 1134 . 1 1 96 96 ILE CG2 C 13 15.996 0.300 . 1 . . . . 96 ILE CG2 . 11111 1 1135 . 1 1 96 96 ILE N N 15 118.307 0.300 . 1 . . . . 96 ILE N . 11111 1 1136 . 1 1 97 97 GLN H H 1 8.815 0.030 . 1 . . . . 97 GLN H . 11111 1 1137 . 1 1 97 97 GLN HA H 1 4.854 0.030 . 1 . . . . 97 GLN HA . 11111 1 1138 . 1 1 97 97 GLN HB2 H 1 2.239 0.030 . 2 . . . . 97 GLN HB2 . 11111 1 1139 . 1 1 97 97 GLN HB3 H 1 1.878 0.030 . 2 . . . . 97 GLN HB3 . 11111 1 1140 . 1 1 97 97 GLN HE21 H 1 8.000 0.030 . 2 . . . . 97 GLN HE21 . 11111 1 1141 . 1 1 97 97 GLN HE22 H 1 7.027 0.030 . 2 . . . . 97 GLN HE22 . 11111 1 1142 . 1 1 97 97 GLN HG2 H 1 2.251 0.030 . 1 . . . . 97 GLN HG2 . 11111 1 1143 . 1 1 97 97 GLN HG3 H 1 2.251 0.030 . 1 . . . . 97 GLN HG3 . 11111 1 1144 . 1 1 97 97 GLN C C 13 173.478 0.300 . 1 . . . . 97 GLN C . 11111 1 1145 . 1 1 97 97 GLN CA C 13 54.164 0.300 . 1 . . . . 97 GLN CA . 11111 1 1146 . 1 1 97 97 GLN CB C 13 34.751 0.300 . 1 . . . . 97 GLN CB . 11111 1 1147 . 1 1 97 97 GLN CG C 13 33.312 0.300 . 1 . . . . 97 GLN CG . 11111 1 1148 . 1 1 97 97 GLN N N 15 125.298 0.300 . 1 . . . . 97 GLN N . 11111 1 1149 . 1 1 97 97 GLN NE2 N 15 112.327 0.300 . 1 . . . . 97 GLN NE2 . 11111 1 1150 . 1 1 98 98 ALA H H 1 8.335 0.030 . 1 . . . . 98 ALA H . 11111 1 1151 . 1 1 98 98 ALA HA H 1 4.874 0.030 . 1 . . . . 98 ALA HA . 11111 1 1152 . 1 1 98 98 ALA HB1 H 1 1.398 0.030 . 1 . . . . 98 ALA HB . 11111 1 1153 . 1 1 98 98 ALA HB2 H 1 1.398 0.030 . 1 . . . . 98 ALA HB . 11111 1 1154 . 1 1 98 98 ALA HB3 H 1 1.398 0.030 . 1 . . . . 98 ALA HB . 11111 1 1155 . 1 1 98 98 ALA C C 13 174.690 0.300 . 1 . . . . 98 ALA C . 11111 1 1156 . 1 1 98 98 ALA CA C 13 50.871 0.300 . 1 . . . . 98 ALA CA . 11111 1 1157 . 1 1 98 98 ALA CB C 13 22.864 0.300 . 1 . . . . 98 ALA CB . 11111 1 1158 . 1 1 98 98 ALA N N 15 124.895 0.300 . 1 . . . . 98 ALA N . 11111 1 1159 . 1 1 99 99 ARG H H 1 8.099 0.030 . 1 . . . . 99 ARG H . 11111 1 1160 . 1 1 99 99 ARG HA H 1 5.040 0.030 . 1 . . . . 99 ARG HA . 11111 1 1161 . 1 1 99 99 ARG HB2 H 1 1.512 0.030 . 2 . . . . 99 ARG HB2 . 11111 1 1162 . 1 1 99 99 ARG HB3 H 1 1.472 0.030 . 2 . . . . 99 ARG HB3 . 11111 1 1163 . 1 1 99 99 ARG HD2 H 1 2.925 0.030 . 2 . . . . 99 ARG HD2 . 11111 1 1164 . 1 1 99 99 ARG HD3 H 1 2.842 0.030 . 2 . . . . 99 ARG HD3 . 11111 1 1165 . 1 1 99 99 ARG HG2 H 1 1.346 0.030 . 2 . . . . 99 ARG HG2 . 11111 1 1166 . 1 1 99 99 ARG HG3 H 1 1.295 0.030 . 2 . . . . 99 ARG HG3 . 11111 1 1167 . 1 1 99 99 ARG C C 13 174.468 0.300 . 1 . . . . 99 ARG C . 11111 1 1168 . 1 1 99 99 ARG CA C 13 54.450 0.300 . 1 . . . . 99 ARG CA . 11111 1 1169 . 1 1 99 99 ARG CB C 13 34.473 0.300 . 1 . . . . 99 ARG CB . 11111 1 1170 . 1 1 99 99 ARG CD C 13 44.075 0.300 . 1 . . . . 99 ARG CD . 11111 1 1171 . 1 1 99 99 ARG CG C 13 25.878 0.300 . 1 . . . . 99 ARG CG . 11111 1 1172 . 1 1 99 99 ARG N N 15 117.829 0.300 . 1 . . . . 99 ARG N . 11111 1 1173 . 1 1 100 100 ASN H H 1 8.701 0.030 . 1 . . . . 100 ASN H . 11111 1 1174 . 1 1 100 100 ASN HA H 1 5.207 0.030 . 1 . . . . 100 ASN HA . 11111 1 1175 . 1 1 100 100 ASN HB2 H 1 3.432 0.030 . 2 . . . . 100 ASN HB2 . 11111 1 1176 . 1 1 100 100 ASN HB3 H 1 2.531 0.030 . 2 . . . . 100 ASN HB3 . 11111 1 1177 . 1 1 100 100 ASN HD21 H 1 8.080 0.030 . 2 . . . . 100 ASN HD21 . 11111 1 1178 . 1 1 100 100 ASN HD22 H 1 6.622 0.030 . 2 . . . . 100 ASN HD22 . 11111 1 1179 . 1 1 100 100 ASN C C 13 176.522 0.300 . 1 . . . . 100 ASN C . 11111 1 1180 . 1 1 100 100 ASN CA C 13 51.587 0.300 . 1 . . . . 100 ASN CA . 11111 1 1181 . 1 1 100 100 ASN CB C 13 40.762 0.300 . 1 . . . . 100 ASN CB . 11111 1 1182 . 1 1 100 100 ASN N N 15 120.901 0.300 . 1 . . . . 100 ASN N . 11111 1 1183 . 1 1 100 100 ASN ND2 N 15 110.496 0.300 . 1 . . . . 100 ASN ND2 . 11111 1 1184 . 1 1 101 101 SER H H 1 8.963 0.030 . 1 . . . . 101 SER H . 11111 1 1185 . 1 1 101 101 SER HA H 1 4.142 0.030 . 1 . . . . 101 SER HA . 11111 1 1186 . 1 1 101 101 SER HB2 H 1 3.945 0.030 . 1 . . . . 101 SER HB2 . 11111 1 1187 . 1 1 101 101 SER HB3 H 1 3.945 0.030 . 1 . . . . 101 SER HB3 . 11111 1 1188 . 1 1 101 101 SER C C 13 175.316 0.300 . 1 . . . . 101 SER C . 11111 1 1189 . 1 1 101 101 SER CA C 13 61.872 0.300 . 1 . . . . 101 SER CA . 11111 1 1190 . 1 1 101 101 SER CB C 13 62.784 0.300 . 1 . . . . 101 SER CB . 11111 1 1191 . 1 1 101 101 SER N N 15 113.342 0.300 . 1 . . . . 101 SER N . 11111 1 1192 . 1 1 102 102 LYS H H 1 8.177 0.030 . 1 . . . . 102 LYS H . 11111 1 1193 . 1 1 102 102 LYS HA H 1 4.350 0.030 . 1 . . . . 102 LYS HA . 11111 1 1194 . 1 1 102 102 LYS HB2 H 1 1.771 0.030 . 2 . . . . 102 LYS HB2 . 11111 1 1195 . 1 1 102 102 LYS HB3 H 1 1.693 0.030 . 2 . . . . 102 LYS HB3 . 11111 1 1196 . 1 1 102 102 LYS HD2 H 1 1.572 0.030 . 1 . . . . 102 LYS HD2 . 11111 1 1197 . 1 1 102 102 LYS HD3 H 1 1.572 0.030 . 1 . . . . 102 LYS HD3 . 11111 1 1198 . 1 1 102 102 LYS HE2 H 1 2.965 0.030 . 2 . . . . 102 LYS HE2 . 11111 1 1199 . 1 1 102 102 LYS HG2 H 1 1.227 0.030 . 2 . . . . 102 LYS HG2 . 11111 1 1200 . 1 1 102 102 LYS HG3 H 1 1.278 0.030 . 2 . . . . 102 LYS HG3 . 11111 1 1201 . 1 1 102 102 LYS C C 13 176.730 0.300 . 1 . . . . 102 LYS C . 11111 1 1202 . 1 1 102 102 LYS CA C 13 55.059 0.300 . 1 . . . . 102 LYS CA . 11111 1 1203 . 1 1 102 102 LYS CB C 13 32.062 0.300 . 1 . . . . 102 LYS CB . 11111 1 1204 . 1 1 102 102 LYS CD C 13 27.629 0.300 . 1 . . . . 102 LYS CD . 11111 1 1205 . 1 1 102 102 LYS CE C 13 42.240 0.300 . 1 . . . . 102 LYS CE . 11111 1 1206 . 1 1 102 102 LYS CG C 13 24.177 0.300 . 1 . . . . 102 LYS CG . 11111 1 1207 . 1 1 102 102 LYS N N 15 119.633 0.300 . 1 . . . . 102 LYS N . 11111 1 1208 . 1 1 103 103 GLY H H 1 7.771 0.030 . 1 . . . . 103 GLY H . 11111 1 1209 . 1 1 103 103 GLY HA2 H 1 3.803 0.030 . 2 . . . . 103 GLY HA2 . 11111 1 1210 . 1 1 103 103 GLY HA3 H 1 4.413 0.030 . 2 . . . . 103 GLY HA3 . 11111 1 1211 . 1 1 103 103 GLY C C 13 171.054 0.300 . 1 . . . . 103 GLY C . 11111 1 1212 . 1 1 103 103 GLY CA C 13 45.286 0.300 . 1 . . . . 103 GLY CA . 11111 1 1213 . 1 1 103 103 GLY N N 15 106.893 0.300 . 1 . . . . 103 GLY N . 11111 1 1214 . 1 1 104 104 MET H H 1 8.374 0.030 . 1 . . . . 104 MET H . 11111 1 1215 . 1 1 104 104 MET HA H 1 4.804 0.030 . 1 . . . . 104 MET HA . 11111 1 1216 . 1 1 104 104 MET HB2 H 1 1.965 0.030 . 2 . . . . 104 MET HB2 . 11111 1 1217 . 1 1 104 104 MET HB3 H 1 2.092 0.030 . 2 . . . . 104 MET HB3 . 11111 1 1218 . 1 1 104 104 MET HE1 H 1 1.933 0.030 . 1 . . . . 104 MET HE . 11111 1 1219 . 1 1 104 104 MET HE2 H 1 1.933 0.030 . 1 . . . . 104 MET HE . 11111 1 1220 . 1 1 104 104 MET HE3 H 1 1.933 0.030 . 1 . . . . 104 MET HE . 11111 1 1221 . 1 1 104 104 MET HG2 H 1 2.545 0.030 . 2 . . . . 104 MET HG2 . 11111 1 1222 . 1 1 104 104 MET HG3 H 1 2.427 0.030 . 2 . . . . 104 MET HG3 . 11111 1 1223 . 1 1 104 104 MET C C 13 177.094 0.300 . 1 . . . . 104 MET C . 11111 1 1224 . 1 1 104 104 MET CA C 13 54.988 0.300 . 1 . . . . 104 MET CA . 11111 1 1225 . 1 1 104 104 MET CB C 13 34.458 0.300 . 1 . . . . 104 MET CB . 11111 1 1226 . 1 1 104 104 MET CE C 13 17.149 0.300 . 1 . . . . 104 MET CE . 11111 1 1227 . 1 1 104 104 MET CG C 13 32.782 0.300 . 1 . . . . 104 MET CG . 11111 1 1228 . 1 1 104 104 MET N N 15 117.779 0.300 . 1 . . . . 104 MET N . 11111 1 1229 . 1 1 105 105 GLY H H 1 8.615 0.030 . 1 . . . . 105 GLY H . 11111 1 1230 . 1 1 105 105 GLY HA2 H 1 3.775 0.030 . 2 . . . . 105 GLY HA2 . 11111 1 1231 . 1 1 105 105 GLY HA3 H 1 4.525 0.030 . 2 . . . . 105 GLY HA3 . 11111 1 1232 . 1 1 105 105 GLY C C 13 171.184 0.300 . 1 . . . . 105 GLY C . 11111 1 1233 . 1 1 105 105 GLY CA C 13 44.907 0.300 . 1 . . . . 105 GLY CA . 11111 1 1234 . 1 1 105 105 GLY N N 15 107.682 0.300 . 1 . . . . 105 GLY N . 11111 1 1235 . 1 1 106 106 PRO HA H 1 4.527 0.030 . 1 . . . . 106 PRO HA . 11111 1 1236 . 1 1 106 106 PRO HB2 H 1 1.653 0.030 . 2 . . . . 106 PRO HB2 . 11111 1 1237 . 1 1 106 106 PRO HB3 H 1 2.281 0.030 . 2 . . . . 106 PRO HB3 . 11111 1 1238 . 1 1 106 106 PRO HD2 H 1 3.482 0.030 . 2 . . . . 106 PRO HD2 . 11111 1 1239 . 1 1 106 106 PRO HD3 H 1 3.028 0.030 . 2 . . . . 106 PRO HD3 . 11111 1 1240 . 1 1 106 106 PRO HG2 H 1 1.753 0.030 . 2 . . . . 106 PRO HG2 . 11111 1 1241 . 1 1 106 106 PRO HG3 H 1 1.274 0.030 . 2 . . . . 106 PRO HG3 . 11111 1 1242 . 1 1 106 106 PRO C C 13 177.640 0.300 . 1 . . . . 106 PRO C . 11111 1 1243 . 1 1 106 106 PRO CA C 13 62.227 0.300 . 1 . . . . 106 PRO CA . 11111 1 1244 . 1 1 106 106 PRO CB C 13 32.642 0.300 . 1 . . . . 106 PRO CB . 11111 1 1245 . 1 1 106 106 PRO CD C 13 49.189 0.300 . 1 . . . . 106 PRO CD . 11111 1 1246 . 1 1 106 106 PRO CG C 13 26.874 0.300 . 1 . . . . 106 PRO CG . 11111 1 1247 . 1 1 107 107 MET H H 1 8.611 0.030 . 1 . . . . 107 MET H . 11111 1 1248 . 1 1 107 107 MET HA H 1 4.640 0.030 . 1 . . . . 107 MET HA . 11111 1 1249 . 1 1 107 107 MET HB2 H 1 1.816 0.030 . 2 . . . . 107 MET HB2 . 11111 1 1250 . 1 1 107 107 MET HB3 H 1 1.771 0.030 . 2 . . . . 107 MET HB3 . 11111 1 1251 . 1 1 107 107 MET HE1 H 1 1.314 0.030 . 1 . . . . 107 MET HE . 11111 1 1252 . 1 1 107 107 MET HE2 H 1 1.314 0.030 . 1 . . . . 107 MET HE . 11111 1 1253 . 1 1 107 107 MET HE3 H 1 1.314 0.030 . 1 . . . . 107 MET HE . 11111 1 1254 . 1 1 107 107 MET HG2 H 1 2.142 0.030 . 2 . . . . 107 MET HG2 . 11111 1 1255 . 1 1 107 107 MET HG3 H 1 2.437 0.030 . 2 . . . . 107 MET HG3 . 11111 1 1256 . 1 1 107 107 MET C C 13 176.953 0.300 . 1 . . . . 107 MET C . 11111 1 1257 . 1 1 107 107 MET CA C 13 55.017 0.300 . 1 . . . . 107 MET CA . 11111 1 1258 . 1 1 107 107 MET CB C 13 34.525 0.300 . 1 . . . . 107 MET CB . 11111 1 1259 . 1 1 107 107 MET CE C 13 17.257 0.300 . 1 . . . . 107 MET CE . 11111 1 1260 . 1 1 107 107 MET CG C 13 32.925 0.300 . 1 . . . . 107 MET CG . 11111 1 1261 . 1 1 107 107 MET N N 15 119.108 0.300 . 1 . . . . 107 MET N . 11111 1 1262 . 1 1 108 108 SER H H 1 8.928 0.030 . 1 . . . . 108 SER H . 11111 1 1263 . 1 1 108 108 SER HA H 1 4.219 0.030 . 1 . . . . 108 SER HA . 11111 1 1264 . 1 1 108 108 SER HB2 H 1 3.967 0.030 . 2 . . . . 108 SER HB2 . 11111 1 1265 . 1 1 108 108 SER HB3 H 1 4.433 0.030 . 2 . . . . 108 SER HB3 . 11111 1 1266 . 1 1 108 108 SER C C 13 174.024 0.300 . 1 . . . . 108 SER C . 11111 1 1267 . 1 1 108 108 SER CA C 13 58.751 0.300 . 1 . . . . 108 SER CA . 11111 1 1268 . 1 1 108 108 SER CB C 13 64.917 0.300 . 1 . . . . 108 SER CB . 11111 1 1269 . 1 1 108 108 SER N N 15 117.004 0.300 . 1 . . . . 108 SER N . 11111 1 1270 . 1 1 109 109 GLU H H 1 8.719 0.030 . 1 . . . . 109 GLU H . 11111 1 1271 . 1 1 109 109 GLU HA H 1 4.244 0.030 . 1 . . . . 109 GLU HA . 11111 1 1272 . 1 1 109 109 GLU HB2 H 1 2.160 0.030 . 2 . . . . 109 GLU HB2 . 11111 1 1273 . 1 1 109 109 GLU HB3 H 1 2.022 0.030 . 2 . . . . 109 GLU HB3 . 11111 1 1274 . 1 1 109 109 GLU HG2 H 1 2.476 0.030 . 2 . . . . 109 GLU HG2 . 11111 1 1275 . 1 1 109 109 GLU HG3 H 1 2.415 0.030 . 2 . . . . 109 GLU HG3 . 11111 1 1276 . 1 1 109 109 GLU C C 13 177.680 0.300 . 1 . . . . 109 GLU C . 11111 1 1277 . 1 1 109 109 GLU CA C 13 56.517 0.300 . 1 . . . . 109 GLU CA . 11111 1 1278 . 1 1 109 109 GLU CB C 13 29.919 0.300 . 1 . . . . 109 GLU CB . 11111 1 1279 . 1 1 109 109 GLU CG C 13 36.383 0.300 . 1 . . . . 109 GLU CG . 11111 1 1280 . 1 1 109 109 GLU N N 15 119.630 0.300 . 1 . . . . 109 GLU N . 11111 1 1281 . 1 1 110 110 ALA H H 1 8.970 0.030 . 1 . . . . 110 ALA H . 11111 1 1282 . 1 1 110 110 ALA HA H 1 4.841 0.030 . 1 . . . . 110 ALA HA . 11111 1 1283 . 1 1 110 110 ALA HB1 H 1 1.540 0.030 . 1 . . . . 110 ALA HB . 11111 1 1284 . 1 1 110 110 ALA HB2 H 1 1.540 0.030 . 1 . . . . 110 ALA HB . 11111 1 1285 . 1 1 110 110 ALA HB3 H 1 1.540 0.030 . 1 . . . . 110 ALA HB . 11111 1 1286 . 1 1 110 110 ALA C C 13 178.044 0.300 . 1 . . . . 110 ALA C . 11111 1 1287 . 1 1 110 110 ALA CA C 13 52.636 0.300 . 1 . . . . 110 ALA CA . 11111 1 1288 . 1 1 110 110 ALA CB C 13 19.203 0.300 . 1 . . . . 110 ALA CB . 11111 1 1289 . 1 1 110 110 ALA N N 15 126.010 0.300 . 1 . . . . 110 ALA N . 11111 1 1290 . 1 1 111 111 VAL H H 1 9.059 0.030 . 1 . . . . 111 VAL H . 11111 1 1291 . 1 1 111 111 VAL HA H 1 4.607 0.030 . 1 . . . . 111 VAL HA . 11111 1 1292 . 1 1 111 111 VAL HB H 1 2.143 0.030 . 1 . . . . 111 VAL HB . 11111 1 1293 . 1 1 111 111 VAL HG11 H 1 1.100 0.030 . 1 . . . . 111 VAL HG1 . 11111 1 1294 . 1 1 111 111 VAL HG12 H 1 1.100 0.030 . 1 . . . . 111 VAL HG1 . 11111 1 1295 . 1 1 111 111 VAL HG13 H 1 1.100 0.030 . 1 . . . . 111 VAL HG1 . 11111 1 1296 . 1 1 111 111 VAL HG21 H 1 1.100 0.030 . 1 . . . . 111 VAL HG2 . 11111 1 1297 . 1 1 111 111 VAL HG22 H 1 1.100 0.030 . 1 . . . . 111 VAL HG2 . 11111 1 1298 . 1 1 111 111 VAL HG23 H 1 1.100 0.030 . 1 . . . . 111 VAL HG2 . 11111 1 1299 . 1 1 111 111 VAL C C 13 174.791 0.300 . 1 . . . . 111 VAL C . 11111 1 1300 . 1 1 111 111 VAL CA C 13 60.993 0.300 . 1 . . . . 111 VAL CA . 11111 1 1301 . 1 1 111 111 VAL CB C 13 34.856 0.300 . 1 . . . . 111 VAL CB . 11111 1 1302 . 1 1 111 111 VAL CG1 C 13 21.280 0.300 . 1 . . . . 111 VAL CG1 . 11111 1 1303 . 1 1 111 111 VAL CG2 C 13 21.280 0.300 . 1 . . . . 111 VAL CG2 . 11111 1 1304 . 1 1 111 111 VAL N N 15 122.039 0.300 . 1 . . . . 111 VAL N . 11111 1 1305 . 1 1 112 112 GLN H H 1 8.870 0.030 . 1 . . . . 112 GLN H . 11111 1 1306 . 1 1 112 112 GLN HA H 1 5.153 0.030 . 1 . . . . 112 GLN HA . 11111 1 1307 . 1 1 112 112 GLN HB2 H 1 2.062 0.030 . 2 . . . . 112 GLN HB2 . 11111 1 1308 . 1 1 112 112 GLN HB3 H 1 1.989 0.030 . 2 . . . . 112 GLN HB3 . 11111 1 1309 . 1 1 112 112 GLN HE21 H 1 7.117 0.030 . 2 . . . . 112 GLN HE21 . 11111 1 1310 . 1 1 112 112 GLN HE22 H 1 6.871 0.030 . 2 . . . . 112 GLN HE22 . 11111 1 1311 . 1 1 112 112 GLN HG2 H 1 1.917 0.030 . 2 . . . . 112 GLN HG2 . 11111 1 1312 . 1 1 112 112 GLN HG3 H 1 1.842 0.030 . 2 . . . . 112 GLN HG3 . 11111 1 1313 . 1 1 112 112 GLN C C 13 175.256 0.300 . 1 . . . . 112 GLN C . 11111 1 1314 . 1 1 112 112 GLN CA C 13 54.370 0.300 . 1 . . . . 112 GLN CA . 11111 1 1315 . 1 1 112 112 GLN CB C 13 31.334 0.300 . 1 . . . . 112 GLN CB . 11111 1 1316 . 1 1 112 112 GLN CG C 13 34.261 0.300 . 1 . . . . 112 GLN CG . 11111 1 1317 . 1 1 112 112 GLN N N 15 126.098 0.300 . 1 . . . . 112 GLN N . 11111 1 1318 . 1 1 112 112 GLN NE2 N 15 110.339 0.300 . 1 . . . . 112 GLN NE2 . 11111 1 1319 . 1 1 113 113 PHE H H 1 9.393 0.030 . 1 . . . . 113 PHE H . 11111 1 1320 . 1 1 113 113 PHE HA H 1 4.551 0.030 . 1 . . . . 113 PHE HA . 11111 1 1321 . 1 1 113 113 PHE HB2 H 1 2.754 0.030 . 2 . . . . 113 PHE HB2 . 11111 1 1322 . 1 1 113 113 PHE HB3 H 1 2.936 0.030 . 2 . . . . 113 PHE HB3 . 11111 1 1323 . 1 1 113 113 PHE HD1 H 1 7.009 0.030 . 1 . . . . 113 PHE HD1 . 11111 1 1324 . 1 1 113 113 PHE HD2 H 1 7.009 0.030 . 1 . . . . 113 PHE HD2 . 11111 1 1325 . 1 1 113 113 PHE HE1 H 1 7.158 0.030 . 1 . . . . 113 PHE HE1 . 11111 1 1326 . 1 1 113 113 PHE HE2 H 1 7.158 0.030 . 1 . . . . 113 PHE HE2 . 11111 1 1327 . 1 1 113 113 PHE HZ H 1 7.330 0.030 . 1 . . . . 113 PHE HZ . 11111 1 1328 . 1 1 113 113 PHE C C 13 172.165 0.300 . 1 . . . . 113 PHE C . 11111 1 1329 . 1 1 113 113 PHE CA C 13 58.428 0.300 . 1 . . . . 113 PHE CA . 11111 1 1330 . 1 1 113 113 PHE CB C 13 43.869 0.300 . 1 . . . . 113 PHE CB . 11111 1 1331 . 1 1 113 113 PHE CD1 C 13 131.419 0.300 . 1 . . . . 113 PHE CD1 . 11111 1 1332 . 1 1 113 113 PHE CD2 C 13 131.419 0.300 . 1 . . . . 113 PHE CD2 . 11111 1 1333 . 1 1 113 113 PHE CE1 C 13 131.388 0.300 . 1 . . . . 113 PHE CE1 . 11111 1 1334 . 1 1 113 113 PHE CE2 C 13 131.388 0.300 . 1 . . . . 113 PHE CE2 . 11111 1 1335 . 1 1 113 113 PHE CZ C 13 129.802 0.300 . 1 . . . . 113 PHE CZ . 11111 1 1336 . 1 1 113 113 PHE N N 15 127.680 0.300 . 1 . . . . 113 PHE N . 11111 1 1337 . 1 1 114 114 ARG H H 1 7.599 0.030 . 1 . . . . 114 ARG H . 11111 1 1338 . 1 1 114 114 ARG HA H 1 5.039 0.030 . 1 . . . . 114 ARG HA . 11111 1 1339 . 1 1 114 114 ARG HB2 H 1 1.438 0.030 . 2 . . . . 114 ARG HB2 . 11111 1 1340 . 1 1 114 114 ARG HB3 H 1 1.325 0.030 . 2 . . . . 114 ARG HB3 . 11111 1 1341 . 1 1 114 114 ARG HD2 H 1 3.020 0.030 . 2 . . . . 114 ARG HD2 . 11111 1 1342 . 1 1 114 114 ARG HD3 H 1 2.992 0.030 . 2 . . . . 114 ARG HD3 . 11111 1 1343 . 1 1 114 114 ARG HE H 1 6.851 0.030 . 1 . . . . 114 ARG HE . 11111 1 1344 . 1 1 114 114 ARG HG2 H 1 1.611 0.030 . 2 . . . . 114 ARG HG2 . 11111 1 1345 . 1 1 114 114 ARG HG3 H 1 0.839 0.030 . 2 . . . . 114 ARG HG3 . 11111 1 1346 . 1 1 114 114 ARG C C 13 174.953 0.300 . 1 . . . . 114 ARG C . 11111 1 1347 . 1 1 114 114 ARG CA C 13 53.781 0.300 . 1 . . . . 114 ARG CA . 11111 1 1348 . 1 1 114 114 ARG CB C 13 31.620 0.300 . 1 . . . . 114 ARG CB . 11111 1 1349 . 1 1 114 114 ARG CD C 13 43.405 0.300 . 1 . . . . 114 ARG CD . 11111 1 1350 . 1 1 114 114 ARG CG C 13 28.523 0.300 . 1 . . . . 114 ARG CG . 11111 1 1351 . 1 1 114 114 ARG N N 15 129.227 0.300 . 1 . . . . 114 ARG N . 11111 1 1352 . 1 1 114 114 ARG NE N 15 85.455 0.300 . 1 . . . . 114 ARG NE . 11111 1 1353 . 1 1 115 115 THR H H 1 8.347 0.030 . 1 . . . . 115 THR H . 11111 1 1354 . 1 1 115 115 THR HA H 1 4.219 0.030 . 1 . . . . 115 THR HA . 11111 1 1355 . 1 1 115 115 THR HB H 1 4.580 0.030 . 1 . . . . 115 THR HB . 11111 1 1356 . 1 1 115 115 THR HG21 H 1 1.502 0.030 . 1 . . . . 115 THR HG2 . 11111 1 1357 . 1 1 115 115 THR HG22 H 1 1.502 0.030 . 1 . . . . 115 THR HG2 . 11111 1 1358 . 1 1 115 115 THR HG23 H 1 1.502 0.030 . 1 . . . . 115 THR HG2 . 11111 1 1359 . 1 1 115 115 THR C C 13 172.422 0.300 . 1 . . . . 115 THR C . 11111 1 1360 . 1 1 115 115 THR CA C 13 60.027 0.300 . 1 . . . . 115 THR CA . 11111 1 1361 . 1 1 115 115 THR CB C 13 68.008 0.300 . 1 . . . . 115 THR CB . 11111 1 1362 . 1 1 115 115 THR CG2 C 13 24.387 0.300 . 1 . . . . 115 THR CG2 . 11111 1 1363 . 1 1 115 115 THR N N 15 117.101 0.300 . 1 . . . . 115 THR N . 11111 1 1364 . 1 1 116 116 PRO HA H 1 4.467 0.030 . 1 . . . . 116 PRO HA . 11111 1 1365 . 1 1 116 116 PRO HB2 H 1 1.991 0.030 . 2 . . . . 116 PRO HB2 . 11111 1 1366 . 1 1 116 116 PRO HB3 H 1 2.407 0.030 . 2 . . . . 116 PRO HB3 . 11111 1 1367 . 1 1 116 116 PRO HD2 H 1 3.690 0.030 . 2 . . . . 116 PRO HD2 . 11111 1 1368 . 1 1 116 116 PRO HD3 H 1 3.803 0.030 . 2 . . . . 116 PRO HD3 . 11111 1 1369 . 1 1 116 116 PRO HG2 H 1 2.126 0.030 . 2 . . . . 116 PRO HG2 . 11111 1 1370 . 1 1 116 116 PRO HG3 H 1 2.028 0.030 . 2 . . . . 116 PRO HG3 . 11111 1 1371 . 1 1 116 116 PRO C C 13 175.640 0.300 . 1 . . . . 116 PRO C . 11111 1 1372 . 1 1 116 116 PRO CA C 13 62.753 0.300 . 1 . . . . 116 PRO CA . 11111 1 1373 . 1 1 116 116 PRO CB C 13 32.855 0.300 . 1 . . . . 116 PRO CB . 11111 1 1374 . 1 1 116 116 PRO CD C 13 50.713 0.300 . 1 . . . . 116 PRO CD . 11111 1 1375 . 1 1 116 116 PRO CG C 13 27.747 0.300 . 1 . . . . 116 PRO CG . 11111 1 1376 . 1 1 117 117 LYS H H 1 8.001 0.030 . 1 . . . . 117 LYS H . 11111 1 1377 . 1 1 117 117 LYS HA H 1 4.217 0.030 . 1 . . . . 117 LYS HA . 11111 1 1378 . 1 1 117 117 LYS HB2 H 1 1.646 0.030 . 2 . . . . 117 LYS HB2 . 11111 1 1379 . 1 1 117 117 LYS HB3 H 1 1.841 0.030 . 2 . . . . 117 LYS HB3 . 11111 1 1380 . 1 1 117 117 LYS HD2 H 1 1.642 0.030 . 2 . . . . 117 LYS HD2 . 11111 1 1381 . 1 1 117 117 LYS HE2 H 1 2.981 0.030 . 2 . . . . 117 LYS HE2 . 11111 1 1382 . 1 1 117 117 LYS HG2 H 1 1.472 0.030 . 2 . . . . 117 LYS HG2 . 11111 1 1383 . 1 1 117 117 LYS HG3 H 1 1.359 0.030 . 2 . . . . 117 LYS HG3 . 11111 1 1384 . 1 1 117 117 LYS C C 13 176.852 0.300 . 1 . . . . 117 LYS C . 11111 1 1385 . 1 1 117 117 LYS CA C 13 56.458 0.300 . 1 . . . . 117 LYS CA . 11111 1 1386 . 1 1 117 117 LYS CB C 13 34.103 0.300 . 1 . . . . 117 LYS CB . 11111 1 1387 . 1 1 117 117 LYS CD C 13 29.434 0.300 . 1 . . . . 117 LYS CD . 11111 1 1388 . 1 1 117 117 LYS CE C 13 42.103 0.300 . 1 . . . . 117 LYS CE . 11111 1 1389 . 1 1 117 117 LYS CG C 13 25.526 0.300 . 1 . . . . 117 LYS CG . 11111 1 1390 . 1 1 117 117 LYS N N 15 116.688 0.300 . 1 . . . . 117 LYS N . 11111 1 1391 . 1 1 118 118 ALA H H 1 8.477 0.030 . 1 . . . . 118 ALA H . 11111 1 1392 . 1 1 118 118 ALA HA H 1 4.233 0.030 . 1 . . . . 118 ALA HA . 11111 1 1393 . 1 1 118 118 ALA HB1 H 1 1.385 0.030 . 1 . . . . 118 ALA HB . 11111 1 1394 . 1 1 118 118 ALA HB2 H 1 1.385 0.030 . 1 . . . . 118 ALA HB . 11111 1 1395 . 1 1 118 118 ALA HB3 H 1 1.385 0.030 . 1 . . . . 118 ALA HB . 11111 1 1396 . 1 1 118 118 ALA C C 13 177.599 0.300 . 1 . . . . 118 ALA C . 11111 1 1397 . 1 1 118 118 ALA CA C 13 52.619 0.300 . 1 . . . . 118 ALA CA . 11111 1 1398 . 1 1 118 118 ALA CB C 13 19.478 0.300 . 1 . . . . 118 ALA CB . 11111 1 1399 . 1 1 118 118 ALA N N 15 122.731 0.300 . 1 . . . . 118 ALA N . 11111 1 1400 . 1 1 119 119 SER H H 1 8.275 0.030 . 1 . . . . 119 SER H . 11111 1 1401 . 1 1 119 119 SER HA H 1 4.469 0.030 . 1 . . . . 119 SER HA . 11111 1 1402 . 1 1 119 119 SER HB2 H 1 3.888 0.030 . 2 . . . . 119 SER HB2 . 11111 1 1403 . 1 1 119 119 SER HB3 H 1 3.852 0.030 . 2 . . . . 119 SER HB3 . 11111 1 1404 . 1 1 119 119 SER C C 13 174.549 0.300 . 1 . . . . 119 SER C . 11111 1 1405 . 1 1 119 119 SER CA C 13 58.155 0.300 . 1 . . . . 119 SER CA . 11111 1 1406 . 1 1 119 119 SER CB C 13 64.164 0.300 . 1 . . . . 119 SER CB . 11111 1 1407 . 1 1 119 119 SER N N 15 114.969 0.300 . 1 . . . . 119 SER N . 11111 1 1408 . 1 1 120 120 GLY H H 1 8.211 0.030 . 1 . . . . 120 GLY H . 11111 1 1409 . 1 1 120 120 GLY HA2 H 1 4.144 0.030 . 1 . . . . 120 GLY HA2 . 11111 1 1410 . 1 1 120 120 GLY HA3 H 1 4.144 0.030 . 1 . . . . 120 GLY HA3 . 11111 1 1411 . 1 1 120 120 GLY C C 13 171.773 0.300 . 1 . . . . 120 GLY C . 11111 1 1412 . 1 1 120 120 GLY CA C 13 44.675 0.300 . 1 . . . . 120 GLY CA . 11111 1 1413 . 1 1 120 120 GLY N N 15 110.654 0.300 . 1 . . . . 120 GLY N . 11111 1 1414 . 1 1 121 121 PRO HA H 1 4.487 0.030 . 1 . . . . 121 PRO HA . 11111 1 1415 . 1 1 121 121 PRO HB2 H 1 2.323 0.030 . 2 . . . . 121 PRO HB2 . 11111 1 1416 . 1 1 121 121 PRO HB3 H 1 2.003 0.030 . 2 . . . . 121 PRO HB3 . 11111 1 1417 . 1 1 121 121 PRO HD2 H 1 3.643 0.030 . 1 . . . . 121 PRO HD2 . 11111 1 1418 . 1 1 121 121 PRO HD3 H 1 3.643 0.030 . 1 . . . . 121 PRO HD3 . 11111 1 1419 . 1 1 121 121 PRO HG2 H 1 2.031 0.030 . 1 . . . . 121 PRO HG2 . 11111 1 1420 . 1 1 121 121 PRO HG3 H 1 2.031 0.030 . 1 . . . . 121 PRO HG3 . 11111 1 1421 . 1 1 121 121 PRO CA C 13 63.304 0.300 . 1 . . . . 121 PRO CA . 11111 1 1422 . 1 1 121 121 PRO CB C 13 32.271 0.300 . 1 . . . . 121 PRO CB . 11111 1 1423 . 1 1 121 121 PRO CD C 13 49.814 0.300 . 1 . . . . 121 PRO CD . 11111 1 1424 . 1 1 121 121 PRO CG C 13 27.183 0.300 . 1 . . . . 121 PRO CG . 11111 1 stop_ save_