data_10076 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10076 _Entry.Title ; The eighth FN3 domain of human sidekick-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-25 _Entry.Accession_date 2006-12-27 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Nagashima . . . 10076 2 F. Hayashi . . . 10076 3 S. Yokoyama . . . 10076 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10076 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10076 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 546 10076 '15N chemical shifts' 123 10076 '1H chemical shifts' 866 10076 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-14 2006-12-25 original author . 10076 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WFO 'BMRB Entry Tracking System' 10076 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10076 _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 eighth FN3 domain of human sidekick-2' _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 T. Nagashima . . . 10076 1 2 F. Hayashi . . . 10076 1 3 S. Yokoyama . . . 10076 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10076 _Assembly.ID 1 _Assembly.Name 'sidekick 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10076 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'sidekick 2' 1 $entity_1 . . yes native no no . . . 10076 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WFO . . . . . . 10076 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10076 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRIGDGSPSHPPIL ERTLDDVPGPPMGILFPEVR TTSVRLIWQPPAAPNGIILA YQITHRLNTTTANTATVEVL APSARQYTATGLKPESVYLF RITAQTRKGWGEAAEALVVT TEKRSGPSSG ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WFO . "The Eighth Fn3 Domain Of Human Sidekick-2" . . . . . 100.00 130 100.00 100.00 4.88e-86 . . . . 10076 1 2 no REF XP_009189425 . "PREDICTED: protein sidekick-2 [Papio anubis]" . . . . . 92.31 1508 97.50 98.33 2.50e-69 . . . . 10076 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FN3 domain' . 10076 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 . 10076 1 2 . SER . 10076 1 3 . SER . 10076 1 4 . GLY . 10076 1 5 . SER . 10076 1 6 . SER . 10076 1 7 . GLY . 10076 1 8 . ARG . 10076 1 9 . ILE . 10076 1 10 . GLY . 10076 1 11 . ASP . 10076 1 12 . GLY . 10076 1 13 . SER . 10076 1 14 . PRO . 10076 1 15 . SER . 10076 1 16 . HIS . 10076 1 17 . PRO . 10076 1 18 . PRO . 10076 1 19 . ILE . 10076 1 20 . LEU . 10076 1 21 . GLU . 10076 1 22 . ARG . 10076 1 23 . THR . 10076 1 24 . LEU . 10076 1 25 . ASP . 10076 1 26 . ASP . 10076 1 27 . VAL . 10076 1 28 . PRO . 10076 1 29 . GLY . 10076 1 30 . PRO . 10076 1 31 . PRO . 10076 1 32 . MET . 10076 1 33 . GLY . 10076 1 34 . ILE . 10076 1 35 . LEU . 10076 1 36 . PHE . 10076 1 37 . PRO . 10076 1 38 . GLU . 10076 1 39 . VAL . 10076 1 40 . ARG . 10076 1 41 . THR . 10076 1 42 . THR . 10076 1 43 . SER . 10076 1 44 . VAL . 10076 1 45 . ARG . 10076 1 46 . LEU . 10076 1 47 . ILE . 10076 1 48 . TRP . 10076 1 49 . GLN . 10076 1 50 . PRO . 10076 1 51 . PRO . 10076 1 52 . ALA . 10076 1 53 . ALA . 10076 1 54 . PRO . 10076 1 55 . ASN . 10076 1 56 . GLY . 10076 1 57 . ILE . 10076 1 58 . ILE . 10076 1 59 . LEU . 10076 1 60 . ALA . 10076 1 61 . TYR . 10076 1 62 . GLN . 10076 1 63 . ILE . 10076 1 64 . THR . 10076 1 65 . HIS . 10076 1 66 . ARG . 10076 1 67 . LEU . 10076 1 68 . ASN . 10076 1 69 . THR . 10076 1 70 . THR . 10076 1 71 . THR . 10076 1 72 . ALA . 10076 1 73 . ASN . 10076 1 74 . THR . 10076 1 75 . ALA . 10076 1 76 . THR . 10076 1 77 . VAL . 10076 1 78 . GLU . 10076 1 79 . VAL . 10076 1 80 . LEU . 10076 1 81 . ALA . 10076 1 82 . PRO . 10076 1 83 . SER . 10076 1 84 . ALA . 10076 1 85 . ARG . 10076 1 86 . GLN . 10076 1 87 . TYR . 10076 1 88 . THR . 10076 1 89 . ALA . 10076 1 90 . THR . 10076 1 91 . GLY . 10076 1 92 . LEU . 10076 1 93 . LYS . 10076 1 94 . PRO . 10076 1 95 . GLU . 10076 1 96 . SER . 10076 1 97 . VAL . 10076 1 98 . TYR . 10076 1 99 . LEU . 10076 1 100 . PHE . 10076 1 101 . ARG . 10076 1 102 . ILE . 10076 1 103 . THR . 10076 1 104 . ALA . 10076 1 105 . GLN . 10076 1 106 . THR . 10076 1 107 . ARG . 10076 1 108 . LYS . 10076 1 109 . GLY . 10076 1 110 . TRP . 10076 1 111 . GLY . 10076 1 112 . GLU . 10076 1 113 . ALA . 10076 1 114 . ALA . 10076 1 115 . GLU . 10076 1 116 . ALA . 10076 1 117 . LEU . 10076 1 118 . VAL . 10076 1 119 . VAL . 10076 1 120 . THR . 10076 1 121 . THR . 10076 1 122 . GLU . 10076 1 123 . LYS . 10076 1 124 . ARG . 10076 1 125 . SER . 10076 1 126 . GLY . 10076 1 127 . PRO . 10076 1 128 . SER . 10076 1 129 . SER . 10076 1 130 . GLY . 10076 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 10076 1 . SER 2 2 10076 1 . SER 3 3 10076 1 . GLY 4 4 10076 1 . SER 5 5 10076 1 . SER 6 6 10076 1 . GLY 7 7 10076 1 . ARG 8 8 10076 1 . ILE 9 9 10076 1 . GLY 10 10 10076 1 . ASP 11 11 10076 1 . GLY 12 12 10076 1 . SER 13 13 10076 1 . PRO 14 14 10076 1 . SER 15 15 10076 1 . HIS 16 16 10076 1 . PRO 17 17 10076 1 . PRO 18 18 10076 1 . ILE 19 19 10076 1 . LEU 20 20 10076 1 . GLU 21 21 10076 1 . ARG 22 22 10076 1 . THR 23 23 10076 1 . LEU 24 24 10076 1 . ASP 25 25 10076 1 . ASP 26 26 10076 1 . VAL 27 27 10076 1 . PRO 28 28 10076 1 . GLY 29 29 10076 1 . PRO 30 30 10076 1 . PRO 31 31 10076 1 . MET 32 32 10076 1 . GLY 33 33 10076 1 . ILE 34 34 10076 1 . LEU 35 35 10076 1 . PHE 36 36 10076 1 . PRO 37 37 10076 1 . GLU 38 38 10076 1 . VAL 39 39 10076 1 . ARG 40 40 10076 1 . THR 41 41 10076 1 . THR 42 42 10076 1 . SER 43 43 10076 1 . VAL 44 44 10076 1 . ARG 45 45 10076 1 . LEU 46 46 10076 1 . ILE 47 47 10076 1 . TRP 48 48 10076 1 . GLN 49 49 10076 1 . PRO 50 50 10076 1 . PRO 51 51 10076 1 . ALA 52 52 10076 1 . ALA 53 53 10076 1 . PRO 54 54 10076 1 . ASN 55 55 10076 1 . GLY 56 56 10076 1 . ILE 57 57 10076 1 . ILE 58 58 10076 1 . LEU 59 59 10076 1 . ALA 60 60 10076 1 . TYR 61 61 10076 1 . GLN 62 62 10076 1 . ILE 63 63 10076 1 . THR 64 64 10076 1 . HIS 65 65 10076 1 . ARG 66 66 10076 1 . LEU 67 67 10076 1 . ASN 68 68 10076 1 . THR 69 69 10076 1 . THR 70 70 10076 1 . THR 71 71 10076 1 . ALA 72 72 10076 1 . ASN 73 73 10076 1 . THR 74 74 10076 1 . ALA 75 75 10076 1 . THR 76 76 10076 1 . VAL 77 77 10076 1 . GLU 78 78 10076 1 . VAL 79 79 10076 1 . LEU 80 80 10076 1 . ALA 81 81 10076 1 . PRO 82 82 10076 1 . SER 83 83 10076 1 . ALA 84 84 10076 1 . ARG 85 85 10076 1 . GLN 86 86 10076 1 . TYR 87 87 10076 1 . THR 88 88 10076 1 . ALA 89 89 10076 1 . THR 90 90 10076 1 . GLY 91 91 10076 1 . LEU 92 92 10076 1 . LYS 93 93 10076 1 . PRO 94 94 10076 1 . GLU 95 95 10076 1 . SER 96 96 10076 1 . VAL 97 97 10076 1 . TYR 98 98 10076 1 . LEU 99 99 10076 1 . PHE 100 100 10076 1 . ARG 101 101 10076 1 . ILE 102 102 10076 1 . THR 103 103 10076 1 . ALA 104 104 10076 1 . GLN 105 105 10076 1 . THR 106 106 10076 1 . ARG 107 107 10076 1 . LYS 108 108 10076 1 . GLY 109 109 10076 1 . TRP 110 110 10076 1 . GLY 111 111 10076 1 . GLU 112 112 10076 1 . ALA 113 113 10076 1 . ALA 114 114 10076 1 . GLU 115 115 10076 1 . ALA 116 116 10076 1 . LEU 117 117 10076 1 . VAL 118 118 10076 1 . VAL 119 119 10076 1 . THR 120 120 10076 1 . THR 121 121 10076 1 . GLU 122 122 10076 1 . LYS 123 123 10076 1 . ARG 124 124 10076 1 . SER 125 125 10076 1 . GLY 126 126 10076 1 . PRO 127 127 10076 1 . SER 128 128 10076 1 . SER 129 129 10076 1 . GLY 130 130 10076 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 10076 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10076 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 10076 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P040223-52 . . . . . . 10076 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10076 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FN3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.00 . . mM . . . . 10076 1 2 d-TRIS . . . . . . buffer 20 . . mM . . . . 10076 1 3 NaCl . . . . . . salt 200 . . mM . . . . 10076 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10076 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10076 1 6 H2O . . . . . . solvent 90 . . % . . . . 10076 1 7 D2O . . . . . . solvent 10 . . % . . . . 10076 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 10076 _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' 220 0.1 mM 10076 1 pH 7.0 0.05 pH 10076 1 pressure 1 0.001 atm 10076 1 temperature 293 0.1 K 10076 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10076 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 10076 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10076 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10076 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10076 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10076 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10076 _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.' . . 10076 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10076 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10076 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8992 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10076 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10076 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10076 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10076 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement" 10076 5 'structure solution' 10076 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 10076 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10076 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10076 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10076 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10076 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10076 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10076 _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 . . . . . . . . . 10076 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10076 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10076 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 10076 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10076 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10076 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 1 1 GLY HA2 H 1 3.893 0.030 . 1 . . . . 1 GLY HA2 . 10076 1 2 . 1 1 1 1 GLY HA3 H 1 3.893 0.030 . 1 . . . . 1 GLY HA3 . 10076 1 3 . 1 1 1 1 GLY CA C 13 43.703 0.300 . 1 . . . . 1 GLY CA . 10076 1 4 . 1 1 6 6 SER HA H 1 4.478 0.030 . 1 . . . . 6 SER HA . 10076 1 5 . 1 1 6 6 SER HB2 H 1 3.930 0.030 . 1 . . . . 6 SER HB2 . 10076 1 6 . 1 1 6 6 SER HB3 H 1 3.930 0.030 . 1 . . . . 6 SER HB3 . 10076 1 7 . 1 1 6 6 SER C C 13 175.028 0.300 . 1 . . . . 6 SER C . 10076 1 8 . 1 1 6 6 SER CA C 13 58.785 0.300 . 1 . . . . 6 SER CA . 10076 1 9 . 1 1 6 6 SER CB C 13 63.841 0.300 . 1 . . . . 6 SER CB . 10076 1 10 . 1 1 7 7 GLY H H 1 8.416 0.030 . 1 . . . . 7 GLY H . 10076 1 11 . 1 1 7 7 GLY HA2 H 1 3.966 0.030 . 1 . . . . 7 GLY HA2 . 10076 1 12 . 1 1 7 7 GLY HA3 H 1 3.966 0.030 . 1 . . . . 7 GLY HA3 . 10076 1 13 . 1 1 7 7 GLY C C 13 173.882 0.300 . 1 . . . . 7 GLY C . 10076 1 14 . 1 1 7 7 GLY CA C 13 45.371 0.300 . 1 . . . . 7 GLY CA . 10076 1 15 . 1 1 7 7 GLY N N 15 110.726 0.300 . 1 . . . . 7 GLY N . 10076 1 16 . 1 1 8 8 ARG H H 1 8.184 0.030 . 1 . . . . 8 ARG H . 10076 1 17 . 1 1 8 8 ARG HA H 1 4.406 0.030 . 1 . . . . 8 ARG HA . 10076 1 18 . 1 1 8 8 ARG HB2 H 1 1.833 0.030 . 2 . . . . 8 ARG HB2 . 10076 1 19 . 1 1 8 8 ARG HB3 H 1 1.754 0.030 . 2 . . . . 8 ARG HB3 . 10076 1 20 . 1 1 8 8 ARG HG2 H 1 1.605 0.030 . 1 . . . . 8 ARG HG2 . 10076 1 21 . 1 1 8 8 ARG HG3 H 1 1.605 0.030 . 1 . . . . 8 ARG HG3 . 10076 1 22 . 1 1 8 8 ARG HD2 H 1 3.193 0.030 . 1 . . . . 8 ARG HD2 . 10076 1 23 . 1 1 8 8 ARG HD3 H 1 3.193 0.030 . 1 . . . . 8 ARG HD3 . 10076 1 24 . 1 1 8 8 ARG C C 13 176.391 0.300 . 1 . . . . 8 ARG C . 10076 1 25 . 1 1 8 8 ARG CA C 13 55.942 0.300 . 1 . . . . 8 ARG CA . 10076 1 26 . 1 1 8 8 ARG CB C 13 31.068 0.300 . 1 . . . . 8 ARG CB . 10076 1 27 . 1 1 8 8 ARG CG C 13 26.930 0.300 . 1 . . . . 8 ARG CG . 10076 1 28 . 1 1 8 8 ARG CD C 13 43.454 0.300 . 1 . . . . 8 ARG CD . 10076 1 29 . 1 1 8 8 ARG N N 15 120.851 0.300 . 1 . . . . 8 ARG N . 10076 1 30 . 1 1 9 9 ILE H H 1 8.352 0.030 . 1 . . . . 9 ILE H . 10076 1 31 . 1 1 9 9 ILE HA H 1 4.156 0.030 . 1 . . . . 9 ILE HA . 10076 1 32 . 1 1 9 9 ILE HB H 1 1.862 0.030 . 1 . . . . 9 ILE HB . 10076 1 33 . 1 1 9 9 ILE HG12 H 1 1.504 0.030 . 2 . . . . 9 ILE HG12 . 10076 1 34 . 1 1 9 9 ILE HG13 H 1 1.198 0.030 . 2 . . . . 9 ILE HG13 . 10076 1 35 . 1 1 9 9 ILE HG21 H 1 0.920 0.030 . 1 . . . . 9 ILE HG2 . 10076 1 36 . 1 1 9 9 ILE HG22 H 1 0.920 0.030 . 1 . . . . 9 ILE HG2 . 10076 1 37 . 1 1 9 9 ILE HG23 H 1 0.920 0.030 . 1 . . . . 9 ILE HG2 . 10076 1 38 . 1 1 9 9 ILE HD11 H 1 0.866 0.030 . 1 . . . . 9 ILE HD1 . 10076 1 39 . 1 1 9 9 ILE HD12 H 1 0.866 0.030 . 1 . . . . 9 ILE HD1 . 10076 1 40 . 1 1 9 9 ILE HD13 H 1 0.866 0.030 . 1 . . . . 9 ILE HD1 . 10076 1 41 . 1 1 9 9 ILE C C 13 176.957 0.300 . 1 . . . . 9 ILE C . 10076 1 42 . 1 1 9 9 ILE CA C 13 61.482 0.300 . 1 . . . . 9 ILE CA . 10076 1 43 . 1 1 9 9 ILE CB C 13 38.611 0.300 . 1 . . . . 9 ILE CB . 10076 1 44 . 1 1 9 9 ILE CG1 C 13 27.435 0.300 . 1 . . . . 9 ILE CG1 . 10076 1 45 . 1 1 9 9 ILE CG2 C 13 17.407 0.300 . 1 . . . . 9 ILE CG2 . 10076 1 46 . 1 1 9 9 ILE CD1 C 13 12.803 0.300 . 1 . . . . 9 ILE CD1 . 10076 1 47 . 1 1 9 9 ILE N N 15 123.087 0.300 . 1 . . . . 9 ILE N . 10076 1 48 . 1 1 10 10 GLY H H 1 8.556 0.030 . 1 . . . . 10 GLY H . 10076 1 49 . 1 1 10 10 GLY HA2 H 1 4.023 0.030 . 2 . . . . 10 GLY HA2 . 10076 1 50 . 1 1 10 10 GLY HA3 H 1 3.941 0.030 . 2 . . . . 10 GLY HA3 . 10076 1 51 . 1 1 10 10 GLY C C 13 174.040 0.300 . 1 . . . . 10 GLY C . 10076 1 52 . 1 1 10 10 GLY CA C 13 45.356 0.300 . 1 . . . . 10 GLY CA . 10076 1 53 . 1 1 10 10 GLY N N 15 113.337 0.300 . 1 . . . . 10 GLY N . 10076 1 54 . 1 1 11 11 ASP H H 1 8.244 0.030 . 1 . . . . 11 ASP H . 10076 1 55 . 1 1 11 11 ASP HA H 1 4.617 0.030 . 1 . . . . 11 ASP HA . 10076 1 56 . 1 1 11 11 ASP HB2 H 1 2.733 0.030 . 2 . . . . 11 ASP HB2 . 10076 1 57 . 1 1 11 11 ASP HB3 H 1 2.701 0.030 . 2 . . . . 11 ASP HB3 . 10076 1 58 . 1 1 11 11 ASP C C 13 177.003 0.300 . 1 . . . . 11 ASP C . 10076 1 59 . 1 1 11 11 ASP CA C 13 54.355 0.300 . 1 . . . . 11 ASP CA . 10076 1 60 . 1 1 11 11 ASP CB C 13 41.290 0.300 . 1 . . . . 11 ASP CB . 10076 1 61 . 1 1 11 11 ASP N N 15 120.638 0.300 . 1 . . . . 11 ASP N . 10076 1 62 . 1 1 12 12 GLY H H 1 8.491 0.030 . 1 . . . . 12 GLY H . 10076 1 63 . 1 1 12 12 GLY HA2 H 1 4.017 0.030 . 2 . . . . 12 GLY HA2 . 10076 1 64 . 1 1 12 12 GLY HA3 H 1 3.934 0.030 . 2 . . . . 12 GLY HA3 . 10076 1 65 . 1 1 12 12 GLY C C 13 174.161 0.300 . 1 . . . . 12 GLY C . 10076 1 66 . 1 1 12 12 GLY CA C 13 45.310 0.300 . 1 . . . . 12 GLY CA . 10076 1 67 . 1 1 12 12 GLY N N 15 109.475 0.300 . 1 . . . . 12 GLY N . 10076 1 68 . 1 1 13 13 SER H H 1 8.267 0.030 . 1 . . . . 13 SER H . 10076 1 69 . 1 1 13 13 SER HA H 1 4.725 0.030 . 1 . . . . 13 SER HA . 10076 1 70 . 1 1 13 13 SER HB2 H 1 3.856 0.030 . 1 . . . . 13 SER HB2 . 10076 1 71 . 1 1 13 13 SER HB3 H 1 3.856 0.030 . 1 . . . . 13 SER HB3 . 10076 1 72 . 1 1 13 13 SER C C 13 172.841 0.300 . 1 . . . . 13 SER C . 10076 1 73 . 1 1 13 13 SER CA C 13 56.789 0.300 . 1 . . . . 13 SER CA . 10076 1 74 . 1 1 13 13 SER CB C 13 63.219 0.300 . 1 . . . . 13 SER CB . 10076 1 75 . 1 1 13 13 SER N N 15 117.266 0.300 . 1 . . . . 13 SER N . 10076 1 76 . 1 1 14 14 PRO HA H 1 4.472 0.030 . 1 . . . . 14 PRO HA . 10076 1 77 . 1 1 14 14 PRO HB2 H 1 2.290 0.030 . 2 . . . . 14 PRO HB2 . 10076 1 78 . 1 1 14 14 PRO HB3 H 1 1.876 0.030 . 2 . . . . 14 PRO HB3 . 10076 1 79 . 1 1 14 14 PRO HG2 H 1 2.036 0.030 . 1 . . . . 14 PRO HG2 . 10076 1 80 . 1 1 14 14 PRO HG3 H 1 2.036 0.030 . 1 . . . . 14 PRO HG3 . 10076 1 81 . 1 1 14 14 PRO HD2 H 1 3.837 0.030 . 2 . . . . 14 PRO HD2 . 10076 1 82 . 1 1 14 14 PRO HD3 H 1 3.716 0.030 . 2 . . . . 14 PRO HD3 . 10076 1 83 . 1 1 14 14 PRO C C 13 176.930 0.300 . 1 . . . . 14 PRO C . 10076 1 84 . 1 1 14 14 PRO CA C 13 63.387 0.300 . 1 . . . . 14 PRO CA . 10076 1 85 . 1 1 14 14 PRO CB C 13 32.253 0.300 . 1 . . . . 14 PRO CB . 10076 1 86 . 1 1 14 14 PRO CG C 13 27.372 0.300 . 1 . . . . 14 PRO CG . 10076 1 87 . 1 1 14 14 PRO CD C 13 50.770 0.300 . 1 . . . . 14 PRO CD . 10076 1 88 . 1 1 15 15 SER H H 1 8.364 0.030 . 1 . . . . 15 SER H . 10076 1 89 . 1 1 15 15 SER HA H 1 4.360 0.030 . 1 . . . . 15 SER HA . 10076 1 90 . 1 1 15 15 SER HB2 H 1 3.790 0.030 . 1 . . . . 15 SER HB2 . 10076 1 91 . 1 1 15 15 SER HB3 H 1 3.790 0.030 . 1 . . . . 15 SER HB3 . 10076 1 92 . 1 1 15 15 SER C C 13 173.807 0.300 . 1 . . . . 15 SER C . 10076 1 93 . 1 1 15 15 SER CA C 13 58.406 0.300 . 1 . . . . 15 SER CA . 10076 1 94 . 1 1 15 15 SER CB C 13 63.752 0.300 . 1 . . . . 15 SER CB . 10076 1 95 . 1 1 15 15 SER N N 15 115.982 0.300 . 1 . . . . 15 SER N . 10076 1 96 . 1 1 16 16 HIS H H 1 8.183 0.030 . 1 . . . . 16 HIS H . 10076 1 97 . 1 1 16 16 HIS HA H 1 4.955 0.030 . 1 . . . . 16 HIS HA . 10076 1 98 . 1 1 16 16 HIS HB2 H 1 3.157 0.030 . 2 . . . . 16 HIS HB2 . 10076 1 99 . 1 1 16 16 HIS HB3 H 1 3.032 0.030 . 2 . . . . 16 HIS HB3 . 10076 1 100 . 1 1 16 16 HIS HD2 H 1 7.128 0.030 . 1 . . . . 16 HIS HD2 . 10076 1 101 . 1 1 16 16 HIS C C 13 172.564 0.300 . 1 . . . . 16 HIS C . 10076 1 102 . 1 1 16 16 HIS CA C 13 53.745 0.300 . 1 . . . . 16 HIS CA . 10076 1 103 . 1 1 16 16 HIS CB C 13 29.826 0.300 . 1 . . . . 16 HIS CB . 10076 1 104 . 1 1 16 16 HIS CD2 C 13 120.969 0.300 . 1 . . . . 16 HIS CD2 . 10076 1 105 . 1 1 16 16 HIS N N 15 121.376 0.300 . 1 . . . . 16 HIS N . 10076 1 106 . 1 1 17 17 PRO HA H 1 4.728 0.030 . 1 . . . . 17 PRO HA . 10076 1 107 . 1 1 17 17 PRO HB2 H 1 2.378 0.030 . 2 . . . . 17 PRO HB2 . 10076 1 108 . 1 1 17 17 PRO HB3 H 1 1.924 0.030 . 2 . . . . 17 PRO HB3 . 10076 1 109 . 1 1 17 17 PRO HG2 H 1 2.037 0.030 . 1 . . . . 17 PRO HG2 . 10076 1 110 . 1 1 17 17 PRO HG3 H 1 2.037 0.030 . 1 . . . . 17 PRO HG3 . 10076 1 111 . 1 1 17 17 PRO HD2 H 1 3.791 0.030 . 2 . . . . 17 PRO HD2 . 10076 1 112 . 1 1 17 17 PRO HD3 H 1 3.582 0.030 . 2 . . . . 17 PRO HD3 . 10076 1 113 . 1 1 17 17 PRO CA C 13 61.685 0.300 . 1 . . . . 17 PRO CA . 10076 1 114 . 1 1 17 17 PRO CB C 13 30.930 0.300 . 1 . . . . 17 PRO CB . 10076 1 115 . 1 1 17 17 PRO CG C 13 27.460 0.300 . 1 . . . . 17 PRO CG . 10076 1 116 . 1 1 17 17 PRO CD C 13 50.633 0.300 . 1 . . . . 17 PRO CD . 10076 1 117 . 1 1 18 18 PRO HA H 1 4.476 0.030 . 1 . . . . 18 PRO HA . 10076 1 118 . 1 1 18 18 PRO HB2 H 1 2.291 0.030 . 2 . . . . 18 PRO HB2 . 10076 1 119 . 1 1 18 18 PRO HB3 H 1 1.870 0.030 . 2 . . . . 18 PRO HB3 . 10076 1 120 . 1 1 18 18 PRO HG2 H 1 2.039 0.030 . 1 . . . . 18 PRO HG2 . 10076 1 121 . 1 1 18 18 PRO HG3 H 1 2.039 0.030 . 1 . . . . 18 PRO HG3 . 10076 1 122 . 1 1 18 18 PRO HD2 H 1 3.817 0.030 . 2 . . . . 18 PRO HD2 . 10076 1 123 . 1 1 18 18 PRO HD3 H 1 3.665 0.030 . 2 . . . . 18 PRO HD3 . 10076 1 124 . 1 1 18 18 PRO C C 13 176.633 0.300 . 1 . . . . 18 PRO C . 10076 1 125 . 1 1 18 18 PRO CA C 13 62.989 0.300 . 1 . . . . 18 PRO CA . 10076 1 126 . 1 1 18 18 PRO CB C 13 32.087 0.300 . 1 . . . . 18 PRO CB . 10076 1 127 . 1 1 18 18 PRO CG C 13 27.372 0.300 . 1 . . . . 18 PRO CG . 10076 1 128 . 1 1 18 18 PRO CD C 13 50.517 0.300 . 1 . . . . 18 PRO CD . 10076 1 129 . 1 1 19 19 ILE H H 1 8.294 0.030 . 1 . . . . 19 ILE H . 10076 1 130 . 1 1 19 19 ILE HA H 1 4.115 0.030 . 1 . . . . 19 ILE HA . 10076 1 131 . 1 1 19 19 ILE HB H 1 1.831 0.030 . 1 . . . . 19 ILE HB . 10076 1 132 . 1 1 19 19 ILE HG12 H 1 1.514 0.030 . 2 . . . . 19 ILE HG12 . 10076 1 133 . 1 1 19 19 ILE HG13 H 1 1.193 0.030 . 2 . . . . 19 ILE HG13 . 10076 1 134 . 1 1 19 19 ILE HG21 H 1 0.894 0.030 . 1 . . . . 19 ILE HG2 . 10076 1 135 . 1 1 19 19 ILE HG22 H 1 0.894 0.030 . 1 . . . . 19 ILE HG2 . 10076 1 136 . 1 1 19 19 ILE HG23 H 1 0.894 0.030 . 1 . . . . 19 ILE HG2 . 10076 1 137 . 1 1 19 19 ILE HD11 H 1 0.865 0.030 . 1 . . . . 19 ILE HD1 . 10076 1 138 . 1 1 19 19 ILE HD12 H 1 0.865 0.030 . 1 . . . . 19 ILE HD1 . 10076 1 139 . 1 1 19 19 ILE HD13 H 1 0.865 0.030 . 1 . . . . 19 ILE HD1 . 10076 1 140 . 1 1 19 19 ILE C C 13 176.198 0.300 . 1 . . . . 19 ILE C . 10076 1 141 . 1 1 19 19 ILE CA C 13 61.154 0.300 . 1 . . . . 19 ILE CA . 10076 1 142 . 1 1 19 19 ILE CB C 13 38.693 0.300 . 1 . . . . 19 ILE CB . 10076 1 143 . 1 1 19 19 ILE CG1 C 13 27.372 0.300 . 1 . . . . 19 ILE CG1 . 10076 1 144 . 1 1 19 19 ILE CG2 C 13 17.596 0.300 . 1 . . . . 19 ILE CG2 . 10076 1 145 . 1 1 19 19 ILE CD1 C 13 12.890 0.300 . 1 . . . . 19 ILE CD1 . 10076 1 146 . 1 1 19 19 ILE N N 15 121.469 0.300 . 1 . . . . 19 ILE N . 10076 1 147 . 1 1 20 20 LEU H H 1 8.364 0.030 . 1 . . . . 20 LEU H . 10076 1 148 . 1 1 20 20 LEU HA H 1 4.394 0.030 . 1 . . . . 20 LEU HA . 10076 1 149 . 1 1 20 20 LEU HB2 H 1 1.623 0.030 . 2 . . . . 20 LEU HB2 . 10076 1 150 . 1 1 20 20 LEU HB3 H 1 1.569 0.030 . 2 . . . . 20 LEU HB3 . 10076 1 151 . 1 1 20 20 LEU HG H 1 1.605 0.030 . 1 . . . . 20 LEU HG . 10076 1 152 . 1 1 20 20 LEU HD11 H 1 0.925 0.030 . 1 . . . . 20 LEU HD1 . 10076 1 153 . 1 1 20 20 LEU HD12 H 1 0.925 0.030 . 1 . . . . 20 LEU HD1 . 10076 1 154 . 1 1 20 20 LEU HD13 H 1 0.925 0.030 . 1 . . . . 20 LEU HD1 . 10076 1 155 . 1 1 20 20 LEU HD21 H 1 0.865 0.030 . 1 . . . . 20 LEU HD2 . 10076 1 156 . 1 1 20 20 LEU HD22 H 1 0.865 0.030 . 1 . . . . 20 LEU HD2 . 10076 1 157 . 1 1 20 20 LEU HD23 H 1 0.865 0.030 . 1 . . . . 20 LEU HD2 . 10076 1 158 . 1 1 20 20 LEU C C 13 177.010 0.300 . 1 . . . . 20 LEU C . 10076 1 159 . 1 1 20 20 LEU CA C 13 54.971 0.300 . 1 . . . . 20 LEU CA . 10076 1 160 . 1 1 20 20 LEU CB C 13 42.534 0.300 . 1 . . . . 20 LEU CB . 10076 1 161 . 1 1 20 20 LEU CG C 13 27.119 0.300 . 1 . . . . 20 LEU CG . 10076 1 162 . 1 1 20 20 LEU CD1 C 13 24.849 0.300 . 2 . . . . 20 LEU CD1 . 10076 1 163 . 1 1 20 20 LEU CD2 C 13 23.524 0.300 . 2 . . . . 20 LEU CD2 . 10076 1 164 . 1 1 20 20 LEU N N 15 126.988 0.300 . 1 . . . . 20 LEU N . 10076 1 165 . 1 1 21 21 GLU H H 1 8.419 0.030 . 1 . . . . 21 GLU H . 10076 1 166 . 1 1 21 21 GLU HA H 1 4.270 0.030 . 1 . . . . 21 GLU HA . 10076 1 167 . 1 1 21 21 GLU HB2 H 1 2.027 0.030 . 2 . . . . 21 GLU HB2 . 10076 1 168 . 1 1 21 21 GLU HB3 H 1 1.928 0.030 . 2 . . . . 21 GLU HB3 . 10076 1 169 . 1 1 21 21 GLU HG2 H 1 2.262 0.030 . 2 . . . . 21 GLU HG2 . 10076 1 170 . 1 1 21 21 GLU HG3 H 1 2.230 0.030 . 2 . . . . 21 GLU HG3 . 10076 1 171 . 1 1 21 21 GLU C C 13 176.158 0.300 . 1 . . . . 21 GLU C . 10076 1 172 . 1 1 21 21 GLU CA C 13 56.597 0.300 . 1 . . . . 21 GLU CA . 10076 1 173 . 1 1 21 21 GLU CB C 13 30.440 0.300 . 1 . . . . 21 GLU CB . 10076 1 174 . 1 1 21 21 GLU CG C 13 36.390 0.300 . 1 . . . . 21 GLU CG . 10076 1 175 . 1 1 21 21 GLU N N 15 122.636 0.300 . 1 . . . . 21 GLU N . 10076 1 176 . 1 1 22 22 ARG H H 1 8.387 0.030 . 1 . . . . 22 ARG H . 10076 1 177 . 1 1 22 22 ARG HA H 1 4.411 0.030 . 1 . . . . 22 ARG HA . 10076 1 178 . 1 1 22 22 ARG HB2 H 1 1.851 0.030 . 2 . . . . 22 ARG HB2 . 10076 1 179 . 1 1 22 22 ARG HB3 H 1 1.772 0.030 . 2 . . . . 22 ARG HB3 . 10076 1 180 . 1 1 22 22 ARG HG2 H 1 1.606 0.030 . 1 . . . . 22 ARG HG2 . 10076 1 181 . 1 1 22 22 ARG HG3 H 1 1.606 0.030 . 1 . . . . 22 ARG HG3 . 10076 1 182 . 1 1 22 22 ARG HD2 H 1 3.196 0.030 . 1 . . . . 22 ARG HD2 . 10076 1 183 . 1 1 22 22 ARG HD3 H 1 3.196 0.030 . 1 . . . . 22 ARG HD3 . 10076 1 184 . 1 1 22 22 ARG C C 13 176.257 0.300 . 1 . . . . 22 ARG C . 10076 1 185 . 1 1 22 22 ARG CA C 13 56.034 0.300 . 1 . . . . 22 ARG CA . 10076 1 186 . 1 1 22 22 ARG CB C 13 31.040 0.300 . 1 . . . . 22 ARG CB . 10076 1 187 . 1 1 22 22 ARG CG C 13 26.930 0.300 . 1 . . . . 22 ARG CG . 10076 1 188 . 1 1 22 22 ARG CD C 13 43.454 0.300 . 1 . . . . 22 ARG CD . 10076 1 189 . 1 1 22 22 ARG N N 15 122.444 0.300 . 1 . . . . 22 ARG N . 10076 1 190 . 1 1 23 23 THR H H 1 8.337 0.030 . 1 . . . . 23 THR H . 10076 1 191 . 1 1 23 23 THR HA H 1 4.330 0.030 . 1 . . . . 23 THR HA . 10076 1 192 . 1 1 23 23 THR HB H 1 4.200 0.030 . 1 . . . . 23 THR HB . 10076 1 193 . 1 1 23 23 THR HG21 H 1 1.202 0.030 . 1 . . . . 23 THR HG2 . 10076 1 194 . 1 1 23 23 THR HG22 H 1 1.202 0.030 . 1 . . . . 23 THR HG2 . 10076 1 195 . 1 1 23 23 THR HG23 H 1 1.202 0.030 . 1 . . . . 23 THR HG2 . 10076 1 196 . 1 1 23 23 THR C C 13 174.382 0.300 . 1 . . . . 23 THR C . 10076 1 197 . 1 1 23 23 THR CA C 13 61.862 0.300 . 1 . . . . 23 THR CA . 10076 1 198 . 1 1 23 23 THR CB C 13 69.940 0.300 . 1 . . . . 23 THR CB . 10076 1 199 . 1 1 23 23 THR CG2 C 13 21.695 0.300 . 1 . . . . 23 THR CG2 . 10076 1 200 . 1 1 23 23 THR N N 15 116.292 0.300 . 1 . . . . 23 THR N . 10076 1 201 . 1 1 24 24 LEU H H 1 8.294 0.030 . 1 . . . . 24 LEU H . 10076 1 202 . 1 1 24 24 LEU HA H 1 4.337 0.030 . 1 . . . . 24 LEU HA . 10076 1 203 . 1 1 24 24 LEU HB2 H 1 1.624 0.030 . 2 . . . . 24 LEU HB2 . 10076 1 204 . 1 1 24 24 LEU HB3 H 1 1.511 0.030 . 2 . . . . 24 LEU HB3 . 10076 1 205 . 1 1 24 24 LEU HG H 1 1.614 0.030 . 1 . . . . 24 LEU HG . 10076 1 206 . 1 1 24 24 LEU HD11 H 1 0.924 0.030 . 1 . . . . 24 LEU HD1 . 10076 1 207 . 1 1 24 24 LEU HD12 H 1 0.924 0.030 . 1 . . . . 24 LEU HD1 . 10076 1 208 . 1 1 24 24 LEU HD13 H 1 0.924 0.030 . 1 . . . . 24 LEU HD1 . 10076 1 209 . 1 1 24 24 LEU HD21 H 1 0.844 0.030 . 1 . . . . 24 LEU HD2 . 10076 1 210 . 1 1 24 24 LEU HD22 H 1 0.844 0.030 . 1 . . . . 24 LEU HD2 . 10076 1 211 . 1 1 24 24 LEU HD23 H 1 0.844 0.030 . 1 . . . . 24 LEU HD2 . 10076 1 212 . 1 1 24 24 LEU C C 13 176.428 0.300 . 1 . . . . 24 LEU C . 10076 1 213 . 1 1 24 24 LEU CA C 13 55.051 0.300 . 1 . . . . 24 LEU CA . 10076 1 214 . 1 1 24 24 LEU CB C 13 42.450 0.300 . 1 . . . . 24 LEU CB . 10076 1 215 . 1 1 24 24 LEU CG C 13 27.073 0.300 . 1 . . . . 24 LEU CG . 10076 1 216 . 1 1 24 24 LEU CD1 C 13 25.038 0.300 . 2 . . . . 24 LEU CD1 . 10076 1 217 . 1 1 24 24 LEU CD2 C 13 23.272 0.300 . 2 . . . . 24 LEU CD2 . 10076 1 218 . 1 1 24 24 LEU N N 15 124.281 0.300 . 1 . . . . 24 LEU N . 10076 1 219 . 1 1 25 25 ASP H H 1 8.223 0.030 . 1 . . . . 25 ASP H . 10076 1 220 . 1 1 25 25 ASP HA H 1 4.689 0.030 . 1 . . . . 25 ASP HA . 10076 1 221 . 1 1 25 25 ASP HB2 H 1 2.729 0.030 . 2 . . . . 25 ASP HB2 . 10076 1 222 . 1 1 25 25 ASP HB3 H 1 2.512 0.030 . 2 . . . . 25 ASP HB3 . 10076 1 223 . 1 1 25 25 ASP C C 13 174.579 0.300 . 1 . . . . 25 ASP C . 10076 1 224 . 1 1 25 25 ASP CA C 13 53.740 0.300 . 1 . . . . 25 ASP CA . 10076 1 225 . 1 1 25 25 ASP CB C 13 41.333 0.300 . 1 . . . . 25 ASP CB . 10076 1 226 . 1 1 25 25 ASP N N 15 121.372 0.300 . 1 . . . . 25 ASP N . 10076 1 227 . 1 1 26 26 ASP H H 1 8.778 0.030 . 1 . . . . 26 ASP H . 10076 1 228 . 1 1 26 26 ASP HA H 1 4.739 0.030 . 1 . . . . 26 ASP HA . 10076 1 229 . 1 1 26 26 ASP HB2 H 1 2.709 0.030 . 2 . . . . 26 ASP HB2 . 10076 1 230 . 1 1 26 26 ASP HB3 H 1 2.493 0.030 . 2 . . . . 26 ASP HB3 . 10076 1 231 . 1 1 26 26 ASP C C 13 175.827 0.300 . 1 . . . . 26 ASP C . 10076 1 232 . 1 1 26 26 ASP CA C 13 53.058 0.300 . 1 . . . . 26 ASP CA . 10076 1 233 . 1 1 26 26 ASP CB C 13 43.338 0.300 . 1 . . . . 26 ASP CB . 10076 1 234 . 1 1 26 26 ASP N N 15 121.763 0.300 . 1 . . . . 26 ASP N . 10076 1 235 . 1 1 27 27 VAL H H 1 8.797 0.030 . 1 . . . . 27 VAL H . 10076 1 236 . 1 1 27 27 VAL HA H 1 4.292 0.030 . 1 . . . . 27 VAL HA . 10076 1 237 . 1 1 27 27 VAL HB H 1 1.953 0.030 . 1 . . . . 27 VAL HB . 10076 1 238 . 1 1 27 27 VAL HG11 H 1 0.705 0.030 . 1 . . . . 27 VAL HG1 . 10076 1 239 . 1 1 27 27 VAL HG12 H 1 0.705 0.030 . 1 . . . . 27 VAL HG1 . 10076 1 240 . 1 1 27 27 VAL HG13 H 1 0.705 0.030 . 1 . . . . 27 VAL HG1 . 10076 1 241 . 1 1 27 27 VAL HG21 H 1 0.897 0.030 . 1 . . . . 27 VAL HG2 . 10076 1 242 . 1 1 27 27 VAL HG22 H 1 0.897 0.030 . 1 . . . . 27 VAL HG2 . 10076 1 243 . 1 1 27 27 VAL HG23 H 1 0.897 0.030 . 1 . . . . 27 VAL HG2 . 10076 1 244 . 1 1 27 27 VAL C C 13 174.170 0.300 . 1 . . . . 27 VAL C . 10076 1 245 . 1 1 27 27 VAL CA C 13 59.722 0.300 . 1 . . . . 27 VAL CA . 10076 1 246 . 1 1 27 27 VAL CB C 13 30.545 0.300 . 1 . . . . 27 VAL CB . 10076 1 247 . 1 1 27 27 VAL CG1 C 13 22.033 0.300 . 2 . . . . 27 VAL CG1 . 10076 1 248 . 1 1 27 27 VAL CG2 C 13 18.138 0.300 . 2 . . . . 27 VAL CG2 . 10076 1 249 . 1 1 27 27 VAL N N 15 115.357 0.300 . 1 . . . . 27 VAL N . 10076 1 250 . 1 1 28 28 PRO HA H 1 4.546 0.030 . 1 . . . . 28 PRO HA . 10076 1 251 . 1 1 28 28 PRO HB2 H 1 2.516 0.030 . 2 . . . . 28 PRO HB2 . 10076 1 252 . 1 1 28 28 PRO HB3 H 1 2.214 0.030 . 2 . . . . 28 PRO HB3 . 10076 1 253 . 1 1 28 28 PRO HG2 H 1 2.006 0.030 . 2 . . . . 28 PRO HG2 . 10076 1 254 . 1 1 28 28 PRO HG3 H 1 1.768 0.030 . 2 . . . . 28 PRO HG3 . 10076 1 255 . 1 1 28 28 PRO HD2 H 1 3.924 0.030 . 2 . . . . 28 PRO HD2 . 10076 1 256 . 1 1 28 28 PRO HD3 H 1 3.478 0.030 . 2 . . . . 28 PRO HD3 . 10076 1 257 . 1 1 28 28 PRO C C 13 177.920 0.300 . 1 . . . . 28 PRO C . 10076 1 258 . 1 1 28 28 PRO CA C 13 63.685 0.300 . 1 . . . . 28 PRO CA . 10076 1 259 . 1 1 28 28 PRO CB C 13 32.464 0.300 . 1 . . . . 28 PRO CB . 10076 1 260 . 1 1 28 28 PRO CG C 13 27.587 0.300 . 1 . . . . 28 PRO CG . 10076 1 261 . 1 1 28 28 PRO CD C 13 49.610 0.300 . 1 . . . . 28 PRO CD . 10076 1 262 . 1 1 29 29 GLY H H 1 8.140 0.030 . 1 . . . . 29 GLY H . 10076 1 263 . 1 1 29 29 GLY HA2 H 1 4.324 0.030 . 2 . . . . 29 GLY HA2 . 10076 1 264 . 1 1 29 29 GLY HA3 H 1 4.155 0.030 . 2 . . . . 29 GLY HA3 . 10076 1 265 . 1 1 29 29 GLY CA C 13 44.836 0.300 . 1 . . . . 29 GLY CA . 10076 1 266 . 1 1 29 29 GLY N N 15 104.962 0.300 . 1 . . . . 29 GLY N . 10076 1 267 . 1 1 30 30 PRO HA H 1 5.160 0.030 . 1 . . . . 30 PRO HA . 10076 1 268 . 1 1 30 30 PRO HB2 H 1 2.044 0.030 . 2 . . . . 30 PRO HB2 . 10076 1 269 . 1 1 30 30 PRO HB3 H 1 1.847 0.030 . 2 . . . . 30 PRO HB3 . 10076 1 270 . 1 1 30 30 PRO HG2 H 1 2.096 0.030 . 2 . . . . 30 PRO HG2 . 10076 1 271 . 1 1 30 30 PRO HG3 H 1 2.032 0.030 . 2 . . . . 30 PRO HG3 . 10076 1 272 . 1 1 30 30 PRO HD2 H 1 3.670 0.030 . 2 . . . . 30 PRO HD2 . 10076 1 273 . 1 1 30 30 PRO HD3 H 1 3.558 0.030 . 2 . . . . 30 PRO HD3 . 10076 1 274 . 1 1 30 30 PRO CA C 13 61.096 0.300 . 1 . . . . 30 PRO CA . 10076 1 275 . 1 1 30 30 PRO CB C 13 30.889 0.300 . 1 . . . . 30 PRO CB . 10076 1 276 . 1 1 30 30 PRO CG C 13 27.129 0.300 . 1 . . . . 30 PRO CG . 10076 1 277 . 1 1 30 30 PRO CD C 13 48.985 0.300 . 1 . . . . 30 PRO CD . 10076 1 278 . 1 1 31 31 PRO HA H 1 4.217 0.030 . 1 . . . . 31 PRO HA . 10076 1 279 . 1 1 31 31 PRO HB2 H 1 2.553 0.030 . 2 . . . . 31 PRO HB2 . 10076 1 280 . 1 1 31 31 PRO HB3 H 1 1.572 0.030 . 2 . . . . 31 PRO HB3 . 10076 1 281 . 1 1 31 31 PRO HG2 H 1 1.822 0.030 . 2 . . . . 31 PRO HG2 . 10076 1 282 . 1 1 31 31 PRO HG3 H 1 1.735 0.030 . 2 . . . . 31 PRO HG3 . 10076 1 283 . 1 1 31 31 PRO HD2 H 1 4.439 0.030 . 2 . . . . 31 PRO HD2 . 10076 1 284 . 1 1 31 31 PRO HD3 H 1 3.626 0.030 . 2 . . . . 31 PRO HD3 . 10076 1 285 . 1 1 31 31 PRO C C 13 173.088 0.300 . 1 . . . . 31 PRO C . 10076 1 286 . 1 1 31 31 PRO CA C 13 63.337 0.300 . 1 . . . . 31 PRO CA . 10076 1 287 . 1 1 31 31 PRO CB C 13 31.866 0.300 . 1 . . . . 31 PRO CB . 10076 1 288 . 1 1 31 31 PRO CG C 13 28.885 0.300 . 1 . . . . 31 PRO CG . 10076 1 289 . 1 1 31 31 PRO CD C 13 50.580 0.300 . 1 . . . . 31 PRO CD . 10076 1 290 . 1 1 32 32 MET H H 1 7.502 0.030 . 1 . . . . 32 MET H . 10076 1 291 . 1 1 32 32 MET HA H 1 4.871 0.030 . 1 . . . . 32 MET HA . 10076 1 292 . 1 1 32 32 MET HB2 H 1 2.012 0.030 . 2 . . . . 32 MET HB2 . 10076 1 293 . 1 1 32 32 MET HB3 H 1 1.899 0.030 . 2 . . . . 32 MET HB3 . 10076 1 294 . 1 1 32 32 MET HG2 H 1 2.607 0.030 . 1 . . . . 32 MET HG2 . 10076 1 295 . 1 1 32 32 MET HG3 H 1 2.607 0.030 . 1 . . . . 32 MET HG3 . 10076 1 296 . 1 1 32 32 MET HE1 H 1 2.121 0.030 . 1 . . . . 32 MET HE . 10076 1 297 . 1 1 32 32 MET HE2 H 1 2.121 0.030 . 1 . . . . 32 MET HE . 10076 1 298 . 1 1 32 32 MET HE3 H 1 2.121 0.030 . 1 . . . . 32 MET HE . 10076 1 299 . 1 1 32 32 MET C C 13 176.130 0.300 . 1 . . . . 32 MET C . 10076 1 300 . 1 1 32 32 MET CA C 13 53.648 0.300 . 1 . . . . 32 MET CA . 10076 1 301 . 1 1 32 32 MET CB C 13 36.096 0.300 . 1 . . . . 32 MET CB . 10076 1 302 . 1 1 32 32 MET CG C 13 32.417 0.300 . 1 . . . . 32 MET CG . 10076 1 303 . 1 1 32 32 MET CE C 13 17.083 0.300 . 1 . . . . 32 MET CE . 10076 1 304 . 1 1 32 32 MET N N 15 116.960 0.300 . 1 . . . . 32 MET N . 10076 1 305 . 1 1 33 33 GLY H H 1 8.448 0.030 . 1 . . . . 33 GLY H . 10076 1 306 . 1 1 33 33 GLY HA2 H 1 3.731 0.030 . 2 . . . . 33 GLY HA2 . 10076 1 307 . 1 1 33 33 GLY HA3 H 1 3.561 0.030 . 2 . . . . 33 GLY HA3 . 10076 1 308 . 1 1 33 33 GLY C C 13 174.284 0.300 . 1 . . . . 33 GLY C . 10076 1 309 . 1 1 33 33 GLY CA C 13 47.820 0.300 . 1 . . . . 33 GLY CA . 10076 1 310 . 1 1 33 33 GLY N N 15 107.099 0.300 . 1 . . . . 33 GLY N . 10076 1 311 . 1 1 34 34 ILE H H 1 7.690 0.030 . 1 . . . . 34 ILE H . 10076 1 312 . 1 1 34 34 ILE HA H 1 4.563 0.030 . 1 . . . . 34 ILE HA . 10076 1 313 . 1 1 34 34 ILE HB H 1 1.680 0.030 . 1 . . . . 34 ILE HB . 10076 1 314 . 1 1 34 34 ILE HG12 H 1 1.350 0.030 . 2 . . . . 34 ILE HG12 . 10076 1 315 . 1 1 34 34 ILE HG13 H 1 1.086 0.030 . 2 . . . . 34 ILE HG13 . 10076 1 316 . 1 1 34 34 ILE HG21 H 1 0.490 0.030 . 1 . . . . 34 ILE HG2 . 10076 1 317 . 1 1 34 34 ILE HG22 H 1 0.490 0.030 . 1 . . . . 34 ILE HG2 . 10076 1 318 . 1 1 34 34 ILE HG23 H 1 0.490 0.030 . 1 . . . . 34 ILE HG2 . 10076 1 319 . 1 1 34 34 ILE HD11 H 1 0.623 0.030 . 1 . . . . 34 ILE HD1 . 10076 1 320 . 1 1 34 34 ILE HD12 H 1 0.623 0.030 . 1 . . . . 34 ILE HD1 . 10076 1 321 . 1 1 34 34 ILE HD13 H 1 0.623 0.030 . 1 . . . . 34 ILE HD1 . 10076 1 322 . 1 1 34 34 ILE C C 13 176.815 0.300 . 1 . . . . 34 ILE C . 10076 1 323 . 1 1 34 34 ILE CA C 13 61.677 0.300 . 1 . . . . 34 ILE CA . 10076 1 324 . 1 1 34 34 ILE CB C 13 36.870 0.300 . 1 . . . . 34 ILE CB . 10076 1 325 . 1 1 34 34 ILE CG1 C 13 28.822 0.300 . 1 . . . . 34 ILE CG1 . 10076 1 326 . 1 1 34 34 ILE CG2 C 13 18.029 0.300 . 1 . . . . 34 ILE CG2 . 10076 1 327 . 1 1 34 34 ILE CD1 C 13 13.615 0.300 . 1 . . . . 34 ILE CD1 . 10076 1 328 . 1 1 34 34 ILE N N 15 116.688 0.300 . 1 . . . . 34 ILE N . 10076 1 329 . 1 1 35 35 LEU H H 1 8.188 0.030 . 1 . . . . 35 LEU H . 10076 1 330 . 1 1 35 35 LEU HA H 1 4.515 0.030 . 1 . . . . 35 LEU HA . 10076 1 331 . 1 1 35 35 LEU HB2 H 1 1.437 0.030 . 2 . . . . 35 LEU HB2 . 10076 1 332 . 1 1 35 35 LEU HB3 H 1 1.366 0.030 . 2 . . . . 35 LEU HB3 . 10076 1 333 . 1 1 35 35 LEU HG H 1 1.463 0.030 . 1 . . . . 35 LEU HG . 10076 1 334 . 1 1 35 35 LEU HD11 H 1 0.834 0.030 . 1 . . . . 35 LEU HD1 . 10076 1 335 . 1 1 35 35 LEU HD12 H 1 0.834 0.030 . 1 . . . . 35 LEU HD1 . 10076 1 336 . 1 1 35 35 LEU HD13 H 1 0.834 0.030 . 1 . . . . 35 LEU HD1 . 10076 1 337 . 1 1 35 35 LEU HD21 H 1 0.912 0.030 . 1 . . . . 35 LEU HD2 . 10076 1 338 . 1 1 35 35 LEU HD22 H 1 0.912 0.030 . 1 . . . . 35 LEU HD2 . 10076 1 339 . 1 1 35 35 LEU HD23 H 1 0.912 0.030 . 1 . . . . 35 LEU HD2 . 10076 1 340 . 1 1 35 35 LEU C C 13 174.172 0.300 . 1 . . . . 35 LEU C . 10076 1 341 . 1 1 35 35 LEU CA C 13 53.713 0.300 . 1 . . . . 35 LEU CA . 10076 1 342 . 1 1 35 35 LEU CB C 13 47.396 0.300 . 1 . . . . 35 LEU CB . 10076 1 343 . 1 1 35 35 LEU CG C 13 26.552 0.300 . 1 . . . . 35 LEU CG . 10076 1 344 . 1 1 35 35 LEU CD1 C 13 25.669 0.300 . 2 . . . . 35 LEU CD1 . 10076 1 345 . 1 1 35 35 LEU CD2 C 13 23.971 0.300 . 2 . . . . 35 LEU CD2 . 10076 1 346 . 1 1 35 35 LEU N N 15 129.612 0.300 . 1 . . . . 35 LEU N . 10076 1 347 . 1 1 36 36 PHE H H 1 8.520 0.030 . 1 . . . . 36 PHE H . 10076 1 348 . 1 1 36 36 PHE HA H 1 5.813 0.030 . 1 . . . . 36 PHE HA . 10076 1 349 . 1 1 36 36 PHE HB2 H 1 2.915 0.030 . 2 . . . . 36 PHE HB2 . 10076 1 350 . 1 1 36 36 PHE HB3 H 1 2.606 0.030 . 2 . . . . 36 PHE HB3 . 10076 1 351 . 1 1 36 36 PHE HD1 H 1 6.913 0.030 . 1 . . . . 36 PHE HD1 . 10076 1 352 . 1 1 36 36 PHE HD2 H 1 6.913 0.030 . 1 . . . . 36 PHE HD2 . 10076 1 353 . 1 1 36 36 PHE HE1 H 1 6.467 0.030 . 1 . . . . 36 PHE HE1 . 10076 1 354 . 1 1 36 36 PHE HE2 H 1 6.467 0.030 . 1 . . . . 36 PHE HE2 . 10076 1 355 . 1 1 36 36 PHE HZ H 1 6.570 0.030 . 1 . . . . 36 PHE HZ . 10076 1 356 . 1 1 36 36 PHE C C 13 174.302 0.300 . 1 . . . . 36 PHE C . 10076 1 357 . 1 1 36 36 PHE CA C 13 53.856 0.300 . 1 . . . . 36 PHE CA . 10076 1 358 . 1 1 36 36 PHE CB C 13 39.225 0.300 . 1 . . . . 36 PHE CB . 10076 1 359 . 1 1 36 36 PHE CD1 C 13 132.247 0.300 . 1 . . . . 36 PHE CD1 . 10076 1 360 . 1 1 36 36 PHE CD2 C 13 132.247 0.300 . 1 . . . . 36 PHE CD2 . 10076 1 361 . 1 1 36 36 PHE CE1 C 13 131.045 0.300 . 1 . . . . 36 PHE CE1 . 10076 1 362 . 1 1 36 36 PHE CE2 C 13 131.045 0.300 . 1 . . . . 36 PHE CE2 . 10076 1 363 . 1 1 36 36 PHE CZ C 13 127.939 0.300 . 1 . . . . 36 PHE CZ . 10076 1 364 . 1 1 36 36 PHE N N 15 116.849 0.300 . 1 . . . . 36 PHE N . 10076 1 365 . 1 1 37 37 PRO HA H 1 4.365 0.030 . 1 . . . . 37 PRO HA . 10076 1 366 . 1 1 37 37 PRO HB2 H 1 2.334 0.030 . 2 . . . . 37 PRO HB2 . 10076 1 367 . 1 1 37 37 PRO HB3 H 1 1.882 0.030 . 2 . . . . 37 PRO HB3 . 10076 1 368 . 1 1 37 37 PRO HG2 H 1 1.847 0.030 . 2 . . . . 37 PRO HG2 . 10076 1 369 . 1 1 37 37 PRO HG3 H 1 1.649 0.030 . 2 . . . . 37 PRO HG3 . 10076 1 370 . 1 1 37 37 PRO HD2 H 1 4.025 0.030 . 2 . . . . 37 PRO HD2 . 10076 1 371 . 1 1 37 37 PRO HD3 H 1 3.276 0.030 . 2 . . . . 37 PRO HD3 . 10076 1 372 . 1 1 37 37 PRO C C 13 176.566 0.300 . 1 . . . . 37 PRO C . 10076 1 373 . 1 1 37 37 PRO CA C 13 63.872 0.300 . 1 . . . . 37 PRO CA . 10076 1 374 . 1 1 37 37 PRO CB C 13 32.805 0.300 . 1 . . . . 37 PRO CB . 10076 1 375 . 1 1 37 37 PRO CG C 13 27.750 0.300 . 1 . . . . 37 PRO CG . 10076 1 376 . 1 1 37 37 PRO CD C 13 51.085 0.300 . 1 . . . . 37 PRO CD . 10076 1 377 . 1 1 38 38 GLU H H 1 6.810 0.030 . 1 . . . . 38 GLU H . 10076 1 378 . 1 1 38 38 GLU HA H 1 4.654 0.030 . 1 . . . . 38 GLU HA . 10076 1 379 . 1 1 38 38 GLU HB2 H 1 1.854 0.030 . 1 . . . . 38 GLU HB2 . 10076 1 380 . 1 1 38 38 GLU HB3 H 1 1.854 0.030 . 1 . . . . 38 GLU HB3 . 10076 1 381 . 1 1 38 38 GLU HG2 H 1 2.113 0.030 . 2 . . . . 38 GLU HG2 . 10076 1 382 . 1 1 38 38 GLU HG3 H 1 2.043 0.030 . 2 . . . . 38 GLU HG3 . 10076 1 383 . 1 1 38 38 GLU C C 13 173.660 0.300 . 1 . . . . 38 GLU C . 10076 1 384 . 1 1 38 38 GLU CA C 13 55.942 0.300 . 1 . . . . 38 GLU CA . 10076 1 385 . 1 1 38 38 GLU CB C 13 32.919 0.300 . 1 . . . . 38 GLU CB . 10076 1 386 . 1 1 38 38 GLU CG C 13 36.453 0.300 . 1 . . . . 38 GLU CG . 10076 1 387 . 1 1 38 38 GLU N N 15 114.528 0.300 . 1 . . . . 38 GLU N . 10076 1 388 . 1 1 39 39 VAL H H 1 8.705 0.030 . 1 . . . . 39 VAL H . 10076 1 389 . 1 1 39 39 VAL HA H 1 4.264 0.030 . 1 . . . . 39 VAL HA . 10076 1 390 . 1 1 39 39 VAL HB H 1 1.983 0.030 . 1 . . . . 39 VAL HB . 10076 1 391 . 1 1 39 39 VAL HG11 H 1 1.054 0.030 . 1 . . . . 39 VAL HG1 . 10076 1 392 . 1 1 39 39 VAL HG12 H 1 1.054 0.030 . 1 . . . . 39 VAL HG1 . 10076 1 393 . 1 1 39 39 VAL HG13 H 1 1.054 0.030 . 1 . . . . 39 VAL HG1 . 10076 1 394 . 1 1 39 39 VAL HG21 H 1 0.916 0.030 . 1 . . . . 39 VAL HG2 . 10076 1 395 . 1 1 39 39 VAL HG22 H 1 0.916 0.030 . 1 . . . . 39 VAL HG2 . 10076 1 396 . 1 1 39 39 VAL HG23 H 1 0.916 0.030 . 1 . . . . 39 VAL HG2 . 10076 1 397 . 1 1 39 39 VAL C C 13 174.310 0.300 . 1 . . . . 39 VAL C . 10076 1 398 . 1 1 39 39 VAL CA C 13 63.158 0.300 . 1 . . . . 39 VAL CA . 10076 1 399 . 1 1 39 39 VAL CB C 13 34.493 0.300 . 1 . . . . 39 VAL CB . 10076 1 400 . 1 1 39 39 VAL CG1 C 13 22.350 0.300 . 2 . . . . 39 VAL CG1 . 10076 1 401 . 1 1 39 39 VAL CG2 C 13 22.140 0.300 . 2 . . . . 39 VAL CG2 . 10076 1 402 . 1 1 39 39 VAL N N 15 127.975 0.300 . 1 . . . . 39 VAL N . 10076 1 403 . 1 1 40 40 ARG H H 1 8.615 0.030 . 1 . . . . 40 ARG H . 10076 1 404 . 1 1 40 40 ARG HA H 1 4.859 0.030 . 1 . . . . 40 ARG HA . 10076 1 405 . 1 1 40 40 ARG HB2 H 1 2.214 0.030 . 2 . . . . 40 ARG HB2 . 10076 1 406 . 1 1 40 40 ARG HB3 H 1 1.932 0.030 . 2 . . . . 40 ARG HB3 . 10076 1 407 . 1 1 40 40 ARG HG2 H 1 1.506 0.030 . 1 . . . . 40 ARG HG2 . 10076 1 408 . 1 1 40 40 ARG HG3 H 1 1.506 0.030 . 1 . . . . 40 ARG HG3 . 10076 1 409 . 1 1 40 40 ARG HD2 H 1 3.200 0.030 . 2 . . . . 40 ARG HD2 . 10076 1 410 . 1 1 40 40 ARG HD3 H 1 3.064 0.030 . 2 . . . . 40 ARG HD3 . 10076 1 411 . 1 1 40 40 ARG C C 13 174.750 0.300 . 1 . . . . 40 ARG C . 10076 1 412 . 1 1 40 40 ARG CA C 13 53.663 0.300 . 1 . . . . 40 ARG CA . 10076 1 413 . 1 1 40 40 ARG CB C 13 32.781 0.300 . 1 . . . . 40 ARG CB . 10076 1 414 . 1 1 40 40 ARG CG C 13 27.813 0.300 . 1 . . . . 40 ARG CG . 10076 1 415 . 1 1 40 40 ARG CD C 13 43.138 0.300 . 1 . . . . 40 ARG CD . 10076 1 416 . 1 1 40 40 ARG N N 15 127.751 0.300 . 1 . . . . 40 ARG N . 10076 1 417 . 1 1 41 41 THR H H 1 7.955 0.030 . 1 . . . . 41 THR H . 10076 1 418 . 1 1 41 41 THR HA H 1 4.171 0.030 . 1 . . . . 41 THR HA . 10076 1 419 . 1 1 41 41 THR HB H 1 4.140 0.030 . 1 . . . . 41 THR HB . 10076 1 420 . 1 1 41 41 THR HG21 H 1 1.387 0.030 . 1 . . . . 41 THR HG2 . 10076 1 421 . 1 1 41 41 THR HG22 H 1 1.387 0.030 . 1 . . . . 41 THR HG2 . 10076 1 422 . 1 1 41 41 THR HG23 H 1 1.387 0.030 . 1 . . . . 41 THR HG2 . 10076 1 423 . 1 1 41 41 THR C C 13 174.917 0.300 . 1 . . . . 41 THR C . 10076 1 424 . 1 1 41 41 THR CA C 13 64.506 0.300 . 1 . . . . 41 THR CA . 10076 1 425 . 1 1 41 41 THR CB C 13 69.360 0.300 . 1 . . . . 41 THR CB . 10076 1 426 . 1 1 41 41 THR CG2 C 13 23.398 0.300 . 1 . . . . 41 THR CG2 . 10076 1 427 . 1 1 41 41 THR N N 15 108.652 0.300 . 1 . . . . 41 THR N . 10076 1 428 . 1 1 42 42 THR H H 1 6.906 0.030 . 1 . . . . 42 THR H . 10076 1 429 . 1 1 42 42 THR HA H 1 4.742 0.030 . 1 . . . . 42 THR HA . 10076 1 430 . 1 1 42 42 THR HB H 1 4.678 0.030 . 1 . . . . 42 THR HB . 10076 1 431 . 1 1 42 42 THR HG21 H 1 1.166 0.030 . 1 . . . . 42 THR HG2 . 10076 1 432 . 1 1 42 42 THR HG22 H 1 1.166 0.030 . 1 . . . . 42 THR HG2 . 10076 1 433 . 1 1 42 42 THR HG23 H 1 1.166 0.030 . 1 . . . . 42 THR HG2 . 10076 1 434 . 1 1 42 42 THR C C 13 174.692 0.300 . 1 . . . . 42 THR C . 10076 1 435 . 1 1 42 42 THR CA C 13 59.216 0.300 . 1 . . . . 42 THR CA . 10076 1 436 . 1 1 42 42 THR CB C 13 71.017 0.300 . 1 . . . . 42 THR CB . 10076 1 437 . 1 1 42 42 THR CG2 C 13 20.939 0.300 . 1 . . . . 42 THR CG2 . 10076 1 438 . 1 1 42 42 THR N N 15 99.321 0.300 . 1 . . . . 42 THR N . 10076 1 439 . 1 1 43 43 SER H H 1 7.157 0.030 . 1 . . . . 43 SER H . 10076 1 440 . 1 1 43 43 SER HA H 1 5.195 0.030 . 1 . . . . 43 SER HA . 10076 1 441 . 1 1 43 43 SER HB2 H 1 3.686 0.030 . 1 . . . . 43 SER HB2 . 10076 1 442 . 1 1 43 43 SER HB3 H 1 3.686 0.030 . 1 . . . . 43 SER HB3 . 10076 1 443 . 1 1 43 43 SER C C 13 171.762 0.300 . 1 . . . . 43 SER C . 10076 1 444 . 1 1 43 43 SER CA C 13 56.898 0.300 . 1 . . . . 43 SER CA . 10076 1 445 . 1 1 43 43 SER CB C 13 66.238 0.300 . 1 . . . . 43 SER CB . 10076 1 446 . 1 1 43 43 SER N N 15 114.143 0.300 . 1 . . . . 43 SER N . 10076 1 447 . 1 1 44 44 VAL H H 1 8.151 0.030 . 1 . . . . 44 VAL H . 10076 1 448 . 1 1 44 44 VAL HA H 1 4.697 0.030 . 1 . . . . 44 VAL HA . 10076 1 449 . 1 1 44 44 VAL HB H 1 1.952 0.030 . 1 . . . . 44 VAL HB . 10076 1 450 . 1 1 44 44 VAL HG11 H 1 0.753 0.030 . 1 . . . . 44 VAL HG1 . 10076 1 451 . 1 1 44 44 VAL HG12 H 1 0.753 0.030 . 1 . . . . 44 VAL HG1 . 10076 1 452 . 1 1 44 44 VAL HG13 H 1 0.753 0.030 . 1 . . . . 44 VAL HG1 . 10076 1 453 . 1 1 44 44 VAL HG21 H 1 0.644 0.030 . 1 . . . . 44 VAL HG2 . 10076 1 454 . 1 1 44 44 VAL HG22 H 1 0.644 0.030 . 1 . . . . 44 VAL HG2 . 10076 1 455 . 1 1 44 44 VAL HG23 H 1 0.644 0.030 . 1 . . . . 44 VAL HG2 . 10076 1 456 . 1 1 44 44 VAL C C 13 172.799 0.300 . 1 . . . . 44 VAL C . 10076 1 457 . 1 1 44 44 VAL CA C 13 59.952 0.300 . 1 . . . . 44 VAL CA . 10076 1 458 . 1 1 44 44 VAL CB C 13 36.953 0.300 . 1 . . . . 44 VAL CB . 10076 1 459 . 1 1 44 44 VAL CG1 C 13 22.988 0.300 . 2 . . . . 44 VAL CG1 . 10076 1 460 . 1 1 44 44 VAL CG2 C 13 21.443 0.300 . 2 . . . . 44 VAL CG2 . 10076 1 461 . 1 1 44 44 VAL N N 15 113.658 0.300 . 1 . . . . 44 VAL N . 10076 1 462 . 1 1 45 45 ARG H H 1 8.636 0.030 . 1 . . . . 45 ARG H . 10076 1 463 . 1 1 45 45 ARG HA H 1 5.243 0.030 . 1 . . . . 45 ARG HA . 10076 1 464 . 1 1 45 45 ARG HB2 H 1 1.754 0.030 . 2 . . . . 45 ARG HB2 . 10076 1 465 . 1 1 45 45 ARG HB3 H 1 1.563 0.030 . 2 . . . . 45 ARG HB3 . 10076 1 466 . 1 1 45 45 ARG HG2 H 1 1.501 0.030 . 2 . . . . 45 ARG HG2 . 10076 1 467 . 1 1 45 45 ARG HG3 H 1 1.237 0.030 . 2 . . . . 45 ARG HG3 . 10076 1 468 . 1 1 45 45 ARG HD2 H 1 3.091 0.030 . 2 . . . . 45 ARG HD2 . 10076 1 469 . 1 1 45 45 ARG HD3 H 1 2.962 0.030 . 2 . . . . 45 ARG HD3 . 10076 1 470 . 1 1 45 45 ARG HE H 1 7.416 0.030 . 1 . . . . 45 ARG HE . 10076 1 471 . 1 1 45 45 ARG C C 13 173.144 0.300 . 1 . . . . 45 ARG C . 10076 1 472 . 1 1 45 45 ARG CA C 13 55.091 0.300 . 1 . . . . 45 ARG CA . 10076 1 473 . 1 1 45 45 ARG CB C 13 34.162 0.300 . 1 . . . . 45 ARG CB . 10076 1 474 . 1 1 45 45 ARG CG C 13 27.813 0.300 . 1 . . . . 45 ARG CG . 10076 1 475 . 1 1 45 45 ARG CD C 13 43.643 0.300 . 1 . . . . 45 ARG CD . 10076 1 476 . 1 1 45 45 ARG N N 15 124.983 0.300 . 1 . . . . 45 ARG N . 10076 1 477 . 1 1 45 45 ARG NE N 15 83.664 0.300 . 1 . . . . 45 ARG NE . 10076 1 478 . 1 1 46 46 LEU H H 1 8.977 0.030 . 1 . . . . 46 LEU H . 10076 1 479 . 1 1 46 46 LEU HA H 1 5.160 0.030 . 1 . . . . 46 LEU HA . 10076 1 480 . 1 1 46 46 LEU HB2 H 1 1.517 0.030 . 2 . . . . 46 LEU HB2 . 10076 1 481 . 1 1 46 46 LEU HB3 H 1 1.209 0.030 . 2 . . . . 46 LEU HB3 . 10076 1 482 . 1 1 46 46 LEU HG H 1 1.673 0.030 . 1 . . . . 46 LEU HG . 10076 1 483 . 1 1 46 46 LEU HD11 H 1 0.754 0.030 . 1 . . . . 46 LEU HD1 . 10076 1 484 . 1 1 46 46 LEU HD12 H 1 0.754 0.030 . 1 . . . . 46 LEU HD1 . 10076 1 485 . 1 1 46 46 LEU HD13 H 1 0.754 0.030 . 1 . . . . 46 LEU HD1 . 10076 1 486 . 1 1 46 46 LEU HD21 H 1 0.439 0.030 . 1 . . . . 46 LEU HD2 . 10076 1 487 . 1 1 46 46 LEU HD22 H 1 0.439 0.030 . 1 . . . . 46 LEU HD2 . 10076 1 488 . 1 1 46 46 LEU HD23 H 1 0.439 0.030 . 1 . . . . 46 LEU HD2 . 10076 1 489 . 1 1 46 46 LEU C C 13 175.250 0.300 . 1 . . . . 46 LEU C . 10076 1 490 . 1 1 46 46 LEU CA C 13 53.242 0.300 . 1 . . . . 46 LEU CA . 10076 1 491 . 1 1 46 46 LEU CB C 13 45.794 0.300 . 1 . . . . 46 LEU CB . 10076 1 492 . 1 1 46 46 LEU CG C 13 27.328 0.300 . 1 . . . . 46 LEU CG . 10076 1 493 . 1 1 46 46 LEU CD1 C 13 27.746 0.300 . 2 . . . . 46 LEU CD1 . 10076 1 494 . 1 1 46 46 LEU CD2 C 13 25.795 0.300 . 2 . . . . 46 LEU CD2 . 10076 1 495 . 1 1 46 46 LEU N N 15 125.449 0.300 . 1 . . . . 46 LEU N . 10076 1 496 . 1 1 47 47 ILE H H 1 8.576 0.030 . 1 . . . . 47 ILE H . 10076 1 497 . 1 1 47 47 ILE HA H 1 5.094 0.030 . 1 . . . . 47 ILE HA . 10076 1 498 . 1 1 47 47 ILE HB H 1 1.881 0.030 . 1 . . . . 47 ILE HB . 10076 1 499 . 1 1 47 47 ILE HG12 H 1 1.309 0.030 . 2 . . . . 47 ILE HG12 . 10076 1 500 . 1 1 47 47 ILE HG13 H 1 0.759 0.030 . 2 . . . . 47 ILE HG13 . 10076 1 501 . 1 1 47 47 ILE HG21 H 1 0.750 0.030 . 1 . . . . 47 ILE HG2 . 10076 1 502 . 1 1 47 47 ILE HG22 H 1 0.750 0.030 . 1 . . . . 47 ILE HG2 . 10076 1 503 . 1 1 47 47 ILE HG23 H 1 0.750 0.030 . 1 . . . . 47 ILE HG2 . 10076 1 504 . 1 1 47 47 ILE HD11 H 1 0.769 0.030 . 1 . . . . 47 ILE HD1 . 10076 1 505 . 1 1 47 47 ILE HD12 H 1 0.769 0.030 . 1 . . . . 47 ILE HD1 . 10076 1 506 . 1 1 47 47 ILE HD13 H 1 0.769 0.030 . 1 . . . . 47 ILE HD1 . 10076 1 507 . 1 1 47 47 ILE C C 13 173.690 0.300 . 1 . . . . 47 ILE C . 10076 1 508 . 1 1 47 47 ILE CA C 13 59.349 0.300 . 1 . . . . 47 ILE CA . 10076 1 509 . 1 1 47 47 ILE CB C 13 41.898 0.300 . 1 . . . . 47 ILE CB . 10076 1 510 . 1 1 47 47 ILE CG1 C 13 26.236 0.300 . 1 . . . . 47 ILE CG1 . 10076 1 511 . 1 1 47 47 ILE CG2 C 13 18.268 0.300 . 1 . . . . 47 ILE CG2 . 10076 1 512 . 1 1 47 47 ILE CD1 C 13 13.751 0.300 . 1 . . . . 47 ILE CD1 . 10076 1 513 . 1 1 47 47 ILE N N 15 115.632 0.300 . 1 . . . . 47 ILE N . 10076 1 514 . 1 1 48 48 TRP H H 1 7.029 0.030 . 1 . . . . 48 TRP H . 10076 1 515 . 1 1 48 48 TRP HA H 1 4.884 0.030 . 1 . . . . 48 TRP HA . 10076 1 516 . 1 1 48 48 TRP HB2 H 1 3.179 0.030 . 2 . . . . 48 TRP HB2 . 10076 1 517 . 1 1 48 48 TRP HB3 H 1 2.904 0.030 . 2 . . . . 48 TRP HB3 . 10076 1 518 . 1 1 48 48 TRP HD1 H 1 6.421 0.030 . 1 . . . . 48 TRP HD1 . 10076 1 519 . 1 1 48 48 TRP HE1 H 1 6.191 0.030 . 1 . . . . 48 TRP HE1 . 10076 1 520 . 1 1 48 48 TRP HE3 H 1 6.750 0.030 . 1 . . . . 48 TRP HE3 . 10076 1 521 . 1 1 48 48 TRP HZ2 H 1 6.432 0.030 . 1 . . . . 48 TRP HZ2 . 10076 1 522 . 1 1 48 48 TRP HZ3 H 1 6.529 0.030 . 1 . . . . 48 TRP HZ3 . 10076 1 523 . 1 1 48 48 TRP HH2 H 1 6.612 0.030 . 1 . . . . 48 TRP HH2 . 10076 1 524 . 1 1 48 48 TRP C C 13 173.373 0.300 . 1 . . . . 48 TRP C . 10076 1 525 . 1 1 48 48 TRP CA C 13 56.925 0.300 . 1 . . . . 48 TRP CA . 10076 1 526 . 1 1 48 48 TRP CB C 13 31.181 0.300 . 1 . . . . 48 TRP CB . 10076 1 527 . 1 1 48 48 TRP CD1 C 13 124.436 0.300 . 1 . . . . 48 TRP CD1 . 10076 1 528 . 1 1 48 48 TRP CE3 C 13 121.052 0.300 . 1 . . . . 48 TRP CE3 . 10076 1 529 . 1 1 48 48 TRP CZ2 C 13 112.687 0.300 . 1 . . . . 48 TRP CZ2 . 10076 1 530 . 1 1 48 48 TRP CZ3 C 13 120.702 0.300 . 1 . . . . 48 TRP CZ3 . 10076 1 531 . 1 1 48 48 TRP CH2 C 13 124.196 0.300 . 1 . . . . 48 TRP CH2 . 10076 1 532 . 1 1 48 48 TRP N N 15 113.970 0.300 . 1 . . . . 48 TRP N . 10076 1 533 . 1 1 48 48 TRP NE1 N 15 123.242 0.300 . 1 . . . . 48 TRP NE1 . 10076 1 534 . 1 1 49 49 GLN H H 1 8.932 0.030 . 1 . . . . 49 GLN H . 10076 1 535 . 1 1 49 49 GLN HA H 1 4.658 0.030 . 1 . . . . 49 GLN HA . 10076 1 536 . 1 1 49 49 GLN HB2 H 1 2.210 0.030 . 2 . . . . 49 GLN HB2 . 10076 1 537 . 1 1 49 49 GLN HB3 H 1 1.541 0.030 . 2 . . . . 49 GLN HB3 . 10076 1 538 . 1 1 49 49 GLN HG2 H 1 2.335 0.030 . 1 . . . . 49 GLN HG2 . 10076 1 539 . 1 1 49 49 GLN HG3 H 1 2.335 0.030 . 1 . . . . 49 GLN HG3 . 10076 1 540 . 1 1 49 49 GLN HE21 H 1 7.749 0.030 . 2 . . . . 49 GLN HE21 . 10076 1 541 . 1 1 49 49 GLN HE22 H 1 6.828 0.030 . 2 . . . . 49 GLN HE22 . 10076 1 542 . 1 1 49 49 GLN C C 13 172.987 0.300 . 1 . . . . 49 GLN C . 10076 1 543 . 1 1 49 49 GLN CA C 13 52.487 0.300 . 1 . . . . 49 GLN CA . 10076 1 544 . 1 1 49 49 GLN CB C 13 30.272 0.300 . 1 . . . . 49 GLN CB . 10076 1 545 . 1 1 49 49 GLN CG C 13 33.756 0.300 . 1 . . . . 49 GLN CG . 10076 1 546 . 1 1 49 49 GLN N N 15 116.895 0.300 . 1 . . . . 49 GLN N . 10076 1 547 . 1 1 49 49 GLN NE2 N 15 112.753 0.300 . 1 . . . . 49 GLN NE2 . 10076 1 548 . 1 1 50 50 PRO HA H 1 5.172 0.030 . 1 . . . . 50 PRO HA . 10076 1 549 . 1 1 50 50 PRO HB2 H 1 2.434 0.030 . 2 . . . . 50 PRO HB2 . 10076 1 550 . 1 1 50 50 PRO HB3 H 1 1.831 0.030 . 2 . . . . 50 PRO HB3 . 10076 1 551 . 1 1 50 50 PRO HG2 H 1 2.143 0.030 . 2 . . . . 50 PRO HG2 . 10076 1 552 . 1 1 50 50 PRO HG3 H 1 1.958 0.030 . 2 . . . . 50 PRO HG3 . 10076 1 553 . 1 1 50 50 PRO HD2 H 1 3.616 0.030 . 1 . . . . 50 PRO HD2 . 10076 1 554 . 1 1 50 50 PRO HD3 H 1 3.616 0.030 . 1 . . . . 50 PRO HD3 . 10076 1 555 . 1 1 50 50 PRO CA C 13 61.676 0.300 . 1 . . . . 50 PRO CA . 10076 1 556 . 1 1 50 50 PRO CB C 13 30.507 0.300 . 1 . . . . 50 PRO CB . 10076 1 557 . 1 1 50 50 PRO CG C 13 28.213 0.300 . 1 . . . . 50 PRO CG . 10076 1 558 . 1 1 50 50 PRO CD C 13 50.706 0.300 . 1 . . . . 50 PRO CD . 10076 1 559 . 1 1 51 51 PRO HA H 1 4.483 0.030 . 1 . . . . 51 PRO HA . 10076 1 560 . 1 1 51 51 PRO HB2 H 1 1.973 0.030 . 2 . . . . 51 PRO HB2 . 10076 1 561 . 1 1 51 51 PRO HB3 H 1 1.124 0.030 . 2 . . . . 51 PRO HB3 . 10076 1 562 . 1 1 51 51 PRO HG2 H 1 1.793 0.030 . 2 . . . . 51 PRO HG2 . 10076 1 563 . 1 1 51 51 PRO HG3 H 1 1.759 0.030 . 2 . . . . 51 PRO HG3 . 10076 1 564 . 1 1 51 51 PRO HD2 H 1 4.082 0.030 . 2 . . . . 51 PRO HD2 . 10076 1 565 . 1 1 51 51 PRO HD3 H 1 3.492 0.030 . 2 . . . . 51 PRO HD3 . 10076 1 566 . 1 1 51 51 PRO C C 13 175.936 0.300 . 1 . . . . 51 PRO C . 10076 1 567 . 1 1 51 51 PRO CA C 13 62.441 0.300 . 1 . . . . 51 PRO CA . 10076 1 568 . 1 1 51 51 PRO CB C 13 32.584 0.300 . 1 . . . . 51 PRO CB . 10076 1 569 . 1 1 51 51 PRO CG C 13 28.885 0.300 . 1 . . . . 51 PRO CG . 10076 1 570 . 1 1 51 51 PRO CD C 13 50.707 0.300 . 1 . . . . 51 PRO CD . 10076 1 571 . 1 1 52 52 ALA H H 1 8.324 0.030 . 1 . . . . 52 ALA H . 10076 1 572 . 1 1 52 52 ALA HA H 1 4.184 0.030 . 1 . . . . 52 ALA HA . 10076 1 573 . 1 1 52 52 ALA HB1 H 1 1.488 0.030 . 1 . . . . 52 ALA HB . 10076 1 574 . 1 1 52 52 ALA HB2 H 1 1.488 0.030 . 1 . . . . 52 ALA HB . 10076 1 575 . 1 1 52 52 ALA HB3 H 1 1.488 0.030 . 1 . . . . 52 ALA HB . 10076 1 576 . 1 1 52 52 ALA C C 13 178.295 0.300 . 1 . . . . 52 ALA C . 10076 1 577 . 1 1 52 52 ALA CA C 13 53.963 0.300 . 1 . . . . 52 ALA CA . 10076 1 578 . 1 1 52 52 ALA CB C 13 18.608 0.300 . 1 . . . . 52 ALA CB . 10076 1 579 . 1 1 52 52 ALA N N 15 126.167 0.300 . 1 . . . . 52 ALA N . 10076 1 580 . 1 1 53 53 ALA H H 1 8.201 0.030 . 1 . . . . 53 ALA H . 10076 1 581 . 1 1 53 53 ALA HA H 1 4.911 0.030 . 1 . . . . 53 ALA HA . 10076 1 582 . 1 1 53 53 ALA HB1 H 1 1.271 0.030 . 1 . . . . 53 ALA HB . 10076 1 583 . 1 1 53 53 ALA HB2 H 1 1.271 0.030 . 1 . . . . 53 ALA HB . 10076 1 584 . 1 1 53 53 ALA HB3 H 1 1.271 0.030 . 1 . . . . 53 ALA HB . 10076 1 585 . 1 1 53 53 ALA C C 13 173.090 0.300 . 1 . . . . 53 ALA C . 10076 1 586 . 1 1 53 53 ALA CA C 13 48.820 0.300 . 1 . . . . 53 ALA CA . 10076 1 587 . 1 1 53 53 ALA CB C 13 18.271 0.300 . 1 . . . . 53 ALA CB . 10076 1 588 . 1 1 53 53 ALA N N 15 119.894 0.300 . 1 . . . . 53 ALA N . 10076 1 589 . 1 1 54 54 PRO HA H 1 3.987 0.030 . 1 . . . . 54 PRO HA . 10076 1 590 . 1 1 54 54 PRO HB2 H 1 2.347 0.030 . 2 . . . . 54 PRO HB2 . 10076 1 591 . 1 1 54 54 PRO HB3 H 1 1.975 0.030 . 2 . . . . 54 PRO HB3 . 10076 1 592 . 1 1 54 54 PRO HG2 H 1 2.207 0.030 . 2 . . . . 54 PRO HG2 . 10076 1 593 . 1 1 54 54 PRO HG3 H 1 2.089 0.030 . 2 . . . . 54 PRO HG3 . 10076 1 594 . 1 1 54 54 PRO HD2 H 1 3.794 0.030 . 2 . . . . 54 PRO HD2 . 10076 1 595 . 1 1 54 54 PRO HD3 H 1 3.403 0.030 . 2 . . . . 54 PRO HD3 . 10076 1 596 . 1 1 54 54 PRO C C 13 174.420 0.300 . 1 . . . . 54 PRO C . 10076 1 597 . 1 1 54 54 PRO CA C 13 64.406 0.300 . 1 . . . . 54 PRO CA . 10076 1 598 . 1 1 54 54 PRO CB C 13 31.811 0.300 . 1 . . . . 54 PRO CB . 10076 1 599 . 1 1 54 54 PRO CG C 13 27.191 0.300 . 1 . . . . 54 PRO CG . 10076 1 600 . 1 1 54 54 PRO CD C 13 50.265 0.300 . 1 . . . . 54 PRO CD . 10076 1 601 . 1 1 55 55 ASN H H 1 8.000 0.030 . 1 . . . . 55 ASN H . 10076 1 602 . 1 1 55 55 ASN HA H 1 4.157 0.030 . 1 . . . . 55 ASN HA . 10076 1 603 . 1 1 55 55 ASN HB2 H 1 2.614 0.030 . 1 . . . . 55 ASN HB2 . 10076 1 604 . 1 1 55 55 ASN HB3 H 1 2.614 0.030 . 1 . . . . 55 ASN HB3 . 10076 1 605 . 1 1 55 55 ASN HD21 H 1 7.698 0.030 . 2 . . . . 55 ASN HD21 . 10076 1 606 . 1 1 55 55 ASN HD22 H 1 6.858 0.030 . 2 . . . . 55 ASN HD22 . 10076 1 607 . 1 1 55 55 ASN C C 13 173.308 0.300 . 1 . . . . 55 ASN C . 10076 1 608 . 1 1 55 55 ASN CA C 13 53.543 0.300 . 1 . . . . 55 ASN CA . 10076 1 609 . 1 1 55 55 ASN CB C 13 37.008 0.300 . 1 . . . . 55 ASN CB . 10076 1 610 . 1 1 55 55 ASN N N 15 108.317 0.300 . 1 . . . . 55 ASN N . 10076 1 611 . 1 1 55 55 ASN ND2 N 15 115.559 0.300 . 1 . . . . 55 ASN ND2 . 10076 1 612 . 1 1 56 56 GLY H H 1 7.276 0.030 . 1 . . . . 56 GLY H . 10076 1 613 . 1 1 56 56 GLY HA2 H 1 4.383 0.030 . 2 . . . . 56 GLY HA2 . 10076 1 614 . 1 1 56 56 GLY HA3 H 1 3.765 0.030 . 2 . . . . 56 GLY HA3 . 10076 1 615 . 1 1 56 56 GLY C C 13 172.284 0.300 . 1 . . . . 56 GLY C . 10076 1 616 . 1 1 56 56 GLY CA C 13 44.100 0.300 . 1 . . . . 56 GLY CA . 10076 1 617 . 1 1 56 56 GLY N N 15 102.091 0.300 . 1 . . . . 56 GLY N . 10076 1 618 . 1 1 57 57 ILE H H 1 8.067 0.030 . 1 . . . . 57 ILE H . 10076 1 619 . 1 1 57 57 ILE HA H 1 4.017 0.030 . 1 . . . . 57 ILE HA . 10076 1 620 . 1 1 57 57 ILE HB H 1 1.694 0.030 . 1 . . . . 57 ILE HB . 10076 1 621 . 1 1 57 57 ILE HG12 H 1 1.548 0.030 . 2 . . . . 57 ILE HG12 . 10076 1 622 . 1 1 57 57 ILE HG13 H 1 1.212 0.030 . 2 . . . . 57 ILE HG13 . 10076 1 623 . 1 1 57 57 ILE HG21 H 1 0.830 0.030 . 1 . . . . 57 ILE HG2 . 10076 1 624 . 1 1 57 57 ILE HG22 H 1 0.830 0.030 . 1 . . . . 57 ILE HG2 . 10076 1 625 . 1 1 57 57 ILE HG23 H 1 0.830 0.030 . 1 . . . . 57 ILE HG2 . 10076 1 626 . 1 1 57 57 ILE HD11 H 1 0.842 0.030 . 1 . . . . 57 ILE HD1 . 10076 1 627 . 1 1 57 57 ILE HD12 H 1 0.842 0.030 . 1 . . . . 57 ILE HD1 . 10076 1 628 . 1 1 57 57 ILE HD13 H 1 0.842 0.030 . 1 . . . . 57 ILE HD1 . 10076 1 629 . 1 1 57 57 ILE C C 13 176.538 0.300 . 1 . . . . 57 ILE C . 10076 1 630 . 1 1 57 57 ILE CA C 13 60.317 0.300 . 1 . . . . 57 ILE CA . 10076 1 631 . 1 1 57 57 ILE CB C 13 38.721 0.300 . 1 . . . . 57 ILE CB . 10076 1 632 . 1 1 57 57 ILE CG1 C 13 27.561 0.300 . 1 . . . . 57 ILE CG1 . 10076 1 633 . 1 1 57 57 ILE CG2 C 13 17.281 0.300 . 1 . . . . 57 ILE CG2 . 10076 1 634 . 1 1 57 57 ILE CD1 C 13 12.252 0.300 . 1 . . . . 57 ILE CD1 . 10076 1 635 . 1 1 57 57 ILE N N 15 120.270 0.300 . 1 . . . . 57 ILE N . 10076 1 636 . 1 1 58 58 ILE H H 1 8.509 0.030 . 1 . . . . 58 ILE H . 10076 1 637 . 1 1 58 58 ILE HA H 1 4.137 0.030 . 1 . . . . 58 ILE HA . 10076 1 638 . 1 1 58 58 ILE HB H 1 2.024 0.030 . 1 . . . . 58 ILE HB . 10076 1 639 . 1 1 58 58 ILE HG12 H 1 1.510 0.030 . 2 . . . . 58 ILE HG12 . 10076 1 640 . 1 1 58 58 ILE HG13 H 1 1.415 0.030 . 2 . . . . 58 ILE HG13 . 10076 1 641 . 1 1 58 58 ILE HG21 H 1 0.660 0.030 . 1 . . . . 58 ILE HG2 . 10076 1 642 . 1 1 58 58 ILE HG22 H 1 0.660 0.030 . 1 . . . . 58 ILE HG2 . 10076 1 643 . 1 1 58 58 ILE HG23 H 1 0.660 0.030 . 1 . . . . 58 ILE HG2 . 10076 1 644 . 1 1 58 58 ILE HD11 H 1 0.694 0.030 . 1 . . . . 58 ILE HD1 . 10076 1 645 . 1 1 58 58 ILE HD12 H 1 0.694 0.030 . 1 . . . . 58 ILE HD1 . 10076 1 646 . 1 1 58 58 ILE HD13 H 1 0.694 0.030 . 1 . . . . 58 ILE HD1 . 10076 1 647 . 1 1 58 58 ILE C C 13 176.425 0.300 . 1 . . . . 58 ILE C . 10076 1 648 . 1 1 58 58 ILE CA C 13 60.174 0.300 . 1 . . . . 58 ILE CA . 10076 1 649 . 1 1 58 58 ILE CB C 13 35.931 0.300 . 1 . . . . 58 ILE CB . 10076 1 650 . 1 1 58 58 ILE CG1 C 13 27.703 0.300 . 1 . . . . 58 ILE CG1 . 10076 1 651 . 1 1 58 58 ILE CG2 C 13 18.101 0.300 . 1 . . . . 58 ILE CG2 . 10076 1 652 . 1 1 58 58 ILE CD1 C 13 11.147 0.300 . 1 . . . . 58 ILE CD1 . 10076 1 653 . 1 1 58 58 ILE N N 15 128.404 0.300 . 1 . . . . 58 ILE N . 10076 1 654 . 1 1 59 59 LEU H H 1 9.115 0.030 . 1 . . . . 59 LEU H . 10076 1 655 . 1 1 59 59 LEU HA H 1 4.309 0.030 . 1 . . . . 59 LEU HA . 10076 1 656 . 1 1 59 59 LEU HB2 H 1 1.310 0.030 . 2 . . . . 59 LEU HB2 . 10076 1 657 . 1 1 59 59 LEU HB3 H 1 1.177 0.030 . 2 . . . . 59 LEU HB3 . 10076 1 658 . 1 1 59 59 LEU HG H 1 1.515 0.030 . 1 . . . . 59 LEU HG . 10076 1 659 . 1 1 59 59 LEU HD11 H 1 0.500 0.030 . 1 . . . . 59 LEU HD1 . 10076 1 660 . 1 1 59 59 LEU HD12 H 1 0.500 0.030 . 1 . . . . 59 LEU HD1 . 10076 1 661 . 1 1 59 59 LEU HD13 H 1 0.500 0.030 . 1 . . . . 59 LEU HD1 . 10076 1 662 . 1 1 59 59 LEU HD21 H 1 0.698 0.030 . 1 . . . . 59 LEU HD2 . 10076 1 663 . 1 1 59 59 LEU HD22 H 1 0.698 0.030 . 1 . . . . 59 LEU HD2 . 10076 1 664 . 1 1 59 59 LEU HD23 H 1 0.698 0.030 . 1 . . . . 59 LEU HD2 . 10076 1 665 . 1 1 59 59 LEU C C 13 176.887 0.300 . 1 . . . . 59 LEU C . 10076 1 666 . 1 1 59 59 LEU CA C 13 54.621 0.300 . 1 . . . . 59 LEU CA . 10076 1 667 . 1 1 59 59 LEU CB C 13 43.749 0.300 . 1 . . . . 59 LEU CB . 10076 1 668 . 1 1 59 59 LEU CG C 13 26.778 0.300 . 1 . . . . 59 LEU CG . 10076 1 669 . 1 1 59 59 LEU CD1 C 13 25.113 0.300 . 2 . . . . 59 LEU CD1 . 10076 1 670 . 1 1 59 59 LEU CD2 C 13 21.822 0.300 . 2 . . . . 59 LEU CD2 . 10076 1 671 . 1 1 59 59 LEU N N 15 124.984 0.300 . 1 . . . . 59 LEU N . 10076 1 672 . 1 1 60 60 ALA H H 1 7.190 0.030 . 1 . . . . 60 ALA H . 10076 1 673 . 1 1 60 60 ALA HA H 1 4.417 0.030 . 1 . . . . 60 ALA HA . 10076 1 674 . 1 1 60 60 ALA HB1 H 1 1.441 0.030 . 1 . . . . 60 ALA HB . 10076 1 675 . 1 1 60 60 ALA HB2 H 1 1.441 0.030 . 1 . . . . 60 ALA HB . 10076 1 676 . 1 1 60 60 ALA HB3 H 1 1.441 0.030 . 1 . . . . 60 ALA HB . 10076 1 677 . 1 1 60 60 ALA C C 13 174.805 0.300 . 1 . . . . 60 ALA C . 10076 1 678 . 1 1 60 60 ALA CA C 13 52.312 0.300 . 1 . . . . 60 ALA CA . 10076 1 679 . 1 1 60 60 ALA CB C 13 22.216 0.300 . 1 . . . . 60 ALA CB . 10076 1 680 . 1 1 60 60 ALA N N 15 116.478 0.300 . 1 . . . . 60 ALA N . 10076 1 681 . 1 1 61 61 TYR H H 1 8.066 0.030 . 1 . . . . 61 TYR H . 10076 1 682 . 1 1 61 61 TYR HA H 1 5.498 0.030 . 1 . . . . 61 TYR HA . 10076 1 683 . 1 1 61 61 TYR HB2 H 1 2.590 0.030 . 2 . . . . 61 TYR HB2 . 10076 1 684 . 1 1 61 61 TYR HB3 H 1 2.510 0.030 . 2 . . . . 61 TYR HB3 . 10076 1 685 . 1 1 61 61 TYR HD1 H 1 7.074 0.030 . 1 . . . . 61 TYR HD1 . 10076 1 686 . 1 1 61 61 TYR HD2 H 1 7.074 0.030 . 1 . . . . 61 TYR HD2 . 10076 1 687 . 1 1 61 61 TYR HE1 H 1 6.991 0.030 . 1 . . . . 61 TYR HE1 . 10076 1 688 . 1 1 61 61 TYR HE2 H 1 6.991 0.030 . 1 . . . . 61 TYR HE2 . 10076 1 689 . 1 1 61 61 TYR C C 13 174.153 0.300 . 1 . . . . 61 TYR C . 10076 1 690 . 1 1 61 61 TYR CA C 13 57.908 0.300 . 1 . . . . 61 TYR CA . 10076 1 691 . 1 1 61 61 TYR CB C 13 43.252 0.300 . 1 . . . . 61 TYR CB . 10076 1 692 . 1 1 61 61 TYR CD1 C 13 133.292 0.300 . 1 . . . . 61 TYR CD1 . 10076 1 693 . 1 1 61 61 TYR CD2 C 13 133.292 0.300 . 1 . . . . 61 TYR CD2 . 10076 1 694 . 1 1 61 61 TYR CE1 C 13 118.027 0.300 . 1 . . . . 61 TYR CE1 . 10076 1 695 . 1 1 61 61 TYR CE2 C 13 118.027 0.300 . 1 . . . . 61 TYR CE2 . 10076 1 696 . 1 1 61 61 TYR N N 15 113.118 0.300 . 1 . . . . 61 TYR N . 10076 1 697 . 1 1 62 62 GLN H H 1 9.507 0.030 . 1 . . . . 62 GLN H . 10076 1 698 . 1 1 62 62 GLN HA H 1 5.234 0.030 . 1 . . . . 62 GLN HA . 10076 1 699 . 1 1 62 62 GLN HB2 H 1 1.540 0.030 . 2 . . . . 62 GLN HB2 . 10076 1 700 . 1 1 62 62 GLN HB3 H 1 1.478 0.030 . 2 . . . . 62 GLN HB3 . 10076 1 701 . 1 1 62 62 GLN HG2 H 1 1.651 0.030 . 2 . . . . 62 GLN HG2 . 10076 1 702 . 1 1 62 62 GLN HG3 H 1 1.526 0.030 . 2 . . . . 62 GLN HG3 . 10076 1 703 . 1 1 62 62 GLN HE21 H 1 6.052 0.030 . 2 . . . . 62 GLN HE21 . 10076 1 704 . 1 1 62 62 GLN HE22 H 1 5.988 0.030 . 2 . . . . 62 GLN HE22 . 10076 1 705 . 1 1 62 62 GLN C C 13 174.120 0.300 . 1 . . . . 62 GLN C . 10076 1 706 . 1 1 62 62 GLN CA C 13 54.343 0.300 . 1 . . . . 62 GLN CA . 10076 1 707 . 1 1 62 62 GLN CB C 13 33.278 0.300 . 1 . . . . 62 GLN CB . 10076 1 708 . 1 1 62 62 GLN CG C 13 35.349 0.300 . 1 . . . . 62 GLN CG . 10076 1 709 . 1 1 62 62 GLN N N 15 121.389 0.300 . 1 . . . . 62 GLN N . 10076 1 710 . 1 1 62 62 GLN NE2 N 15 109.263 0.300 . 1 . . . . 62 GLN NE2 . 10076 1 711 . 1 1 63 63 ILE H H 1 9.084 0.030 . 1 . . . . 63 ILE H . 10076 1 712 . 1 1 63 63 ILE HA H 1 5.038 0.030 . 1 . . . . 63 ILE HA . 10076 1 713 . 1 1 63 63 ILE HB H 1 1.159 0.030 . 1 . . . . 63 ILE HB . 10076 1 714 . 1 1 63 63 ILE HG12 H 1 0.909 0.030 . 2 . . . . 63 ILE HG12 . 10076 1 715 . 1 1 63 63 ILE HG13 H 1 0.706 0.030 . 2 . . . . 63 ILE HG13 . 10076 1 716 . 1 1 63 63 ILE HG21 H 1 0.660 0.030 . 1 . . . . 63 ILE HG2 . 10076 1 717 . 1 1 63 63 ILE HG22 H 1 0.660 0.030 . 1 . . . . 63 ILE HG2 . 10076 1 718 . 1 1 63 63 ILE HG23 H 1 0.660 0.030 . 1 . . . . 63 ILE HG2 . 10076 1 719 . 1 1 63 63 ILE HD11 H 1 0.209 0.030 . 1 . . . . 63 ILE HD1 . 10076 1 720 . 1 1 63 63 ILE HD12 H 1 0.209 0.030 . 1 . . . . 63 ILE HD1 . 10076 1 721 . 1 1 63 63 ILE HD13 H 1 0.209 0.030 . 1 . . . . 63 ILE HD1 . 10076 1 722 . 1 1 63 63 ILE C C 13 175.385 0.300 . 1 . . . . 63 ILE C . 10076 1 723 . 1 1 63 63 ILE CA C 13 58.941 0.300 . 1 . . . . 63 ILE CA . 10076 1 724 . 1 1 63 63 ILE CB C 13 40.108 0.300 . 1 . . . . 63 ILE CB . 10076 1 725 . 1 1 63 63 ILE CG1 C 13 28.383 0.300 . 1 . . . . 63 ILE CG1 . 10076 1 726 . 1 1 63 63 ILE CG2 C 13 17.722 0.300 . 1 . . . . 63 ILE CG2 . 10076 1 727 . 1 1 63 63 ILE CD1 C 13 14.402 0.300 . 1 . . . . 63 ILE CD1 . 10076 1 728 . 1 1 63 63 ILE N N 15 128.277 0.300 . 1 . . . . 63 ILE N . 10076 1 729 . 1 1 64 64 THR H H 1 9.180 0.030 . 1 . . . . 64 THR H . 10076 1 730 . 1 1 64 64 THR HA H 1 5.685 0.030 . 1 . . . . 64 THR HA . 10076 1 731 . 1 1 64 64 THR HB H 1 3.903 0.030 . 1 . . . . 64 THR HB . 10076 1 732 . 1 1 64 64 THR HG21 H 1 0.973 0.030 . 1 . . . . 64 THR HG2 . 10076 1 733 . 1 1 64 64 THR HG22 H 1 0.973 0.030 . 1 . . . . 64 THR HG2 . 10076 1 734 . 1 1 64 64 THR HG23 H 1 0.973 0.030 . 1 . . . . 64 THR HG2 . 10076 1 735 . 1 1 64 64 THR C C 13 173.805 0.300 . 1 . . . . 64 THR C . 10076 1 736 . 1 1 64 64 THR CA C 13 59.002 0.300 . 1 . . . . 64 THR CA . 10076 1 737 . 1 1 64 64 THR CB C 13 71.181 0.300 . 1 . . . . 64 THR CB . 10076 1 738 . 1 1 64 64 THR CG2 C 13 21.822 0.300 . 1 . . . . 64 THR CG2 . 10076 1 739 . 1 1 64 64 THR N N 15 120.668 0.300 . 1 . . . . 64 THR N . 10076 1 740 . 1 1 65 65 HIS H H 1 8.435 0.030 . 1 . . . . 65 HIS H . 10076 1 741 . 1 1 65 65 HIS HA H 1 5.554 0.030 . 1 . . . . 65 HIS HA . 10076 1 742 . 1 1 65 65 HIS HB2 H 1 1.850 0.030 . 2 . . . . 65 HIS HB2 . 10076 1 743 . 1 1 65 65 HIS HB3 H 1 1.699 0.030 . 2 . . . . 65 HIS HB3 . 10076 1 744 . 1 1 65 65 HIS HD2 H 1 6.350 0.030 . 1 . . . . 65 HIS HD2 . 10076 1 745 . 1 1 65 65 HIS HE1 H 1 7.819 0.030 . 1 . . . . 65 HIS HE1 . 10076 1 746 . 1 1 65 65 HIS C C 13 173.683 0.300 . 1 . . . . 65 HIS C . 10076 1 747 . 1 1 65 65 HIS CA C 13 54.581 0.300 . 1 . . . . 65 HIS CA . 10076 1 748 . 1 1 65 65 HIS CB C 13 31.781 0.300 . 1 . . . . 65 HIS CB . 10076 1 749 . 1 1 65 65 HIS CE1 C 13 138.833 0.300 . 1 . . . . 65 HIS CE1 . 10076 1 750 . 1 1 65 65 HIS N N 15 117.247 0.300 . 1 . . . . 65 HIS N . 10076 1 751 . 1 1 66 66 ARG H H 1 8.099 0.030 . 1 . . . . 66 ARG H . 10076 1 752 . 1 1 66 66 ARG HA H 1 4.864 0.030 . 1 . . . . 66 ARG HA . 10076 1 753 . 1 1 66 66 ARG HB2 H 1 1.774 0.030 . 2 . . . . 66 ARG HB2 . 10076 1 754 . 1 1 66 66 ARG HB3 H 1 1.668 0.030 . 2 . . . . 66 ARG HB3 . 10076 1 755 . 1 1 66 66 ARG HG2 H 1 1.471 0.030 . 2 . . . . 66 ARG HG2 . 10076 1 756 . 1 1 66 66 ARG HG3 H 1 1.327 0.030 . 2 . . . . 66 ARG HG3 . 10076 1 757 . 1 1 66 66 ARG HD2 H 1 3.010 0.030 . 2 . . . . 66 ARG HD2 . 10076 1 758 . 1 1 66 66 ARG HD3 H 1 2.893 0.030 . 2 . . . . 66 ARG HD3 . 10076 1 759 . 1 1 66 66 ARG HE H 1 7.213 0.030 . 1 . . . . 66 ARG HE . 10076 1 760 . 1 1 66 66 ARG C C 13 174.543 0.300 . 1 . . . . 66 ARG C . 10076 1 761 . 1 1 66 66 ARG CA C 13 54.100 0.300 . 1 . . . . 66 ARG CA . 10076 1 762 . 1 1 66 66 ARG CB C 13 33.416 0.300 . 1 . . . . 66 ARG CB . 10076 1 763 . 1 1 66 66 ARG CG C 13 25.543 0.300 . 1 . . . . 66 ARG CG . 10076 1 764 . 1 1 66 66 ARG CD C 13 43.832 0.300 . 1 . . . . 66 ARG CD . 10076 1 765 . 1 1 66 66 ARG N N 15 114.727 0.300 . 1 . . . . 66 ARG N . 10076 1 766 . 1 1 66 66 ARG NE N 15 85.393 0.300 . 1 . . . . 66 ARG NE . 10076 1 767 . 1 1 67 67 LEU H H 1 8.736 0.030 . 1 . . . . 67 LEU H . 10076 1 768 . 1 1 67 67 LEU HA H 1 3.863 0.030 . 1 . . . . 67 LEU HA . 10076 1 769 . 1 1 67 67 LEU HB2 H 1 1.555 0.030 . 2 . . . . 67 LEU HB2 . 10076 1 770 . 1 1 67 67 LEU HB3 H 1 1.423 0.030 . 2 . . . . 67 LEU HB3 . 10076 1 771 . 1 1 67 67 LEU HG H 1 1.421 0.030 . 1 . . . . 67 LEU HG . 10076 1 772 . 1 1 67 67 LEU HD11 H 1 0.785 0.030 . 1 . . . . 67 LEU HD1 . 10076 1 773 . 1 1 67 67 LEU HD12 H 1 0.785 0.030 . 1 . . . . 67 LEU HD1 . 10076 1 774 . 1 1 67 67 LEU HD13 H 1 0.785 0.030 . 1 . . . . 67 LEU HD1 . 10076 1 775 . 1 1 67 67 LEU HD21 H 1 0.462 0.030 . 1 . . . . 67 LEU HD2 . 10076 1 776 . 1 1 67 67 LEU HD22 H 1 0.462 0.030 . 1 . . . . 67 LEU HD2 . 10076 1 777 . 1 1 67 67 LEU HD23 H 1 0.462 0.030 . 1 . . . . 67 LEU HD2 . 10076 1 778 . 1 1 67 67 LEU C C 13 178.758 0.300 . 1 . . . . 67 LEU C . 10076 1 779 . 1 1 67 67 LEU CA C 13 55.599 0.300 . 1 . . . . 67 LEU CA . 10076 1 780 . 1 1 67 67 LEU CB C 13 42.644 0.300 . 1 . . . . 67 LEU CB . 10076 1 781 . 1 1 67 67 LEU CG C 13 27.498 0.300 . 1 . . . . 67 LEU CG . 10076 1 782 . 1 1 67 67 LEU CD1 C 13 25.353 0.300 . 2 . . . . 67 LEU CD1 . 10076 1 783 . 1 1 67 67 LEU CD2 C 13 24.609 0.300 . 2 . . . . 67 LEU CD2 . 10076 1 784 . 1 1 67 67 LEU N N 15 124.970 0.300 . 1 . . . . 67 LEU N . 10076 1 785 . 1 1 68 68 ASN H H 1 8.857 0.030 . 1 . . . . 68 ASN H . 10076 1 786 . 1 1 68 68 ASN HA H 1 4.545 0.030 . 1 . . . . 68 ASN HA . 10076 1 787 . 1 1 68 68 ASN HB2 H 1 2.568 0.030 . 2 . . . . 68 ASN HB2 . 10076 1 788 . 1 1 68 68 ASN HB3 H 1 2.256 0.030 . 2 . . . . 68 ASN HB3 . 10076 1 789 . 1 1 68 68 ASN HD21 H 1 7.400 0.030 . 2 . . . . 68 ASN HD21 . 10076 1 790 . 1 1 68 68 ASN HD22 H 1 6.898 0.030 . 2 . . . . 68 ASN HD22 . 10076 1 791 . 1 1 68 68 ASN C C 13 175.171 0.300 . 1 . . . . 68 ASN C . 10076 1 792 . 1 1 68 68 ASN CA C 13 54.461 0.300 . 1 . . . . 68 ASN CA . 10076 1 793 . 1 1 68 68 ASN CB C 13 39.108 0.300 . 1 . . . . 68 ASN CB . 10076 1 794 . 1 1 68 68 ASN N N 15 123.462 0.300 . 1 . . . . 68 ASN N . 10076 1 795 . 1 1 68 68 ASN ND2 N 15 112.753 0.300 . 1 . . . . 68 ASN ND2 . 10076 1 796 . 1 1 69 69 THR H H 1 7.661 0.030 . 1 . . . . 69 THR H . 10076 1 797 . 1 1 69 69 THR HA H 1 4.394 0.030 . 1 . . . . 69 THR HA . 10076 1 798 . 1 1 69 69 THR HB H 1 4.424 0.030 . 1 . . . . 69 THR HB . 10076 1 799 . 1 1 69 69 THR HG21 H 1 1.165 0.030 . 1 . . . . 69 THR HG2 . 10076 1 800 . 1 1 69 69 THR HG22 H 1 1.165 0.030 . 1 . . . . 69 THR HG2 . 10076 1 801 . 1 1 69 69 THR HG23 H 1 1.165 0.030 . 1 . . . . 69 THR HG2 . 10076 1 802 . 1 1 69 69 THR C C 13 174.686 0.300 . 1 . . . . 69 THR C . 10076 1 803 . 1 1 69 69 THR CA C 13 61.037 0.300 . 1 . . . . 69 THR CA . 10076 1 804 . 1 1 69 69 THR CB C 13 69.471 0.300 . 1 . . . . 69 THR CB . 10076 1 805 . 1 1 69 69 THR CG2 C 13 21.695 0.300 . 1 . . . . 69 THR CG2 . 10076 1 806 . 1 1 69 69 THR N N 15 109.670 0.300 . 1 . . . . 69 THR N . 10076 1 807 . 1 1 70 70 THR H H 1 7.835 0.030 . 1 . . . . 70 THR H . 10076 1 808 . 1 1 70 70 THR HA H 1 4.528 0.030 . 1 . . . . 70 THR HA . 10076 1 809 . 1 1 70 70 THR HB H 1 4.343 0.030 . 1 . . . . 70 THR HB . 10076 1 810 . 1 1 70 70 THR HG21 H 1 1.230 0.030 . 1 . . . . 70 THR HG2 . 10076 1 811 . 1 1 70 70 THR HG22 H 1 1.230 0.030 . 1 . . . . 70 THR HG2 . 10076 1 812 . 1 1 70 70 THR HG23 H 1 1.230 0.030 . 1 . . . . 70 THR HG2 . 10076 1 813 . 1 1 70 70 THR C C 13 174.856 0.300 . 1 . . . . 70 THR C . 10076 1 814 . 1 1 70 70 THR CA C 13 61.665 0.300 . 1 . . . . 70 THR CA . 10076 1 815 . 1 1 70 70 THR CB C 13 69.940 0.300 . 1 . . . . 70 THR CB . 10076 1 816 . 1 1 70 70 THR CG2 C 13 21.822 0.300 . 1 . . . . 70 THR CG2 . 10076 1 817 . 1 1 70 70 THR N N 15 113.779 0.300 . 1 . . . . 70 THR N . 10076 1 818 . 1 1 71 71 THR H H 1 7.982 0.030 . 1 . . . . 71 THR H . 10076 1 819 . 1 1 71 71 THR HA H 1 4.313 0.030 . 1 . . . . 71 THR HA . 10076 1 820 . 1 1 71 71 THR HB H 1 4.387 0.030 . 1 . . . . 71 THR HB . 10076 1 821 . 1 1 71 71 THR HG21 H 1 1.224 0.030 . 1 . . . . 71 THR HG2 . 10076 1 822 . 1 1 71 71 THR HG22 H 1 1.224 0.030 . 1 . . . . 71 THR HG2 . 10076 1 823 . 1 1 71 71 THR HG23 H 1 1.224 0.030 . 1 . . . . 71 THR HG2 . 10076 1 824 . 1 1 71 71 THR C C 13 175.111 0.300 . 1 . . . . 71 THR C . 10076 1 825 . 1 1 71 71 THR CA C 13 61.559 0.300 . 1 . . . . 71 THR CA . 10076 1 826 . 1 1 71 71 THR CB C 13 69.746 0.300 . 1 . . . . 71 THR CB . 10076 1 827 . 1 1 71 71 THR CG2 C 13 21.948 0.300 . 1 . . . . 71 THR CG2 . 10076 1 828 . 1 1 71 71 THR N N 15 112.463 0.300 . 1 . . . . 71 THR N . 10076 1 829 . 1 1 72 72 ALA H H 1 8.342 0.030 . 1 . . . . 72 ALA H . 10076 1 830 . 1 1 72 72 ALA HA H 1 4.066 0.030 . 1 . . . . 72 ALA HA . 10076 1 831 . 1 1 72 72 ALA HB1 H 1 1.390 0.030 . 1 . . . . 72 ALA HB . 10076 1 832 . 1 1 72 72 ALA HB2 H 1 1.390 0.030 . 1 . . . . 72 ALA HB . 10076 1 833 . 1 1 72 72 ALA HB3 H 1 1.390 0.030 . 1 . . . . 72 ALA HB . 10076 1 834 . 1 1 72 72 ALA C C 13 177.755 0.300 . 1 . . . . 72 ALA C . 10076 1 835 . 1 1 72 72 ALA CA C 13 53.752 0.300 . 1 . . . . 72 ALA CA . 10076 1 836 . 1 1 72 72 ALA CB C 13 18.967 0.300 . 1 . . . . 72 ALA CB . 10076 1 837 . 1 1 72 72 ALA N N 15 125.018 0.300 . 1 . . . . 72 ALA N . 10076 1 838 . 1 1 73 73 ASN H H 1 8.274 0.030 . 1 . . . . 73 ASN H . 10076 1 839 . 1 1 73 73 ASN HA H 1 4.642 0.030 . 1 . . . . 73 ASN HA . 10076 1 840 . 1 1 73 73 ASN HB2 H 1 2.841 0.030 . 1 . . . . 73 ASN HB2 . 10076 1 841 . 1 1 73 73 ASN HB3 H 1 2.841 0.030 . 1 . . . . 73 ASN HB3 . 10076 1 842 . 1 1 73 73 ASN HD21 H 1 7.609 0.030 . 2 . . . . 73 ASN HD21 . 10076 1 843 . 1 1 73 73 ASN HD22 H 1 6.991 0.030 . 2 . . . . 73 ASN HD22 . 10076 1 844 . 1 1 73 73 ASN C C 13 175.316 0.300 . 1 . . . . 73 ASN C . 10076 1 845 . 1 1 73 73 ASN CA C 13 53.820 0.300 . 1 . . . . 73 ASN CA . 10076 1 846 . 1 1 73 73 ASN CB C 13 38.555 0.300 . 1 . . . . 73 ASN CB . 10076 1 847 . 1 1 73 73 ASN N N 15 116.888 0.300 . 1 . . . . 73 ASN N . 10076 1 848 . 1 1 73 73 ASN ND2 N 15 113.438 0.300 . 1 . . . . 73 ASN ND2 . 10076 1 849 . 1 1 74 74 THR H H 1 7.974 0.030 . 1 . . . . 74 THR H . 10076 1 850 . 1 1 74 74 THR HA H 1 4.330 0.030 . 1 . . . . 74 THR HA . 10076 1 851 . 1 1 74 74 THR HB H 1 4.243 0.030 . 1 . . . . 74 THR HB . 10076 1 852 . 1 1 74 74 THR HG21 H 1 1.206 0.030 . 1 . . . . 74 THR HG2 . 10076 1 853 . 1 1 74 74 THR HG22 H 1 1.206 0.030 . 1 . . . . 74 THR HG2 . 10076 1 854 . 1 1 74 74 THR HG23 H 1 1.206 0.030 . 1 . . . . 74 THR HG2 . 10076 1 855 . 1 1 74 74 THR C C 13 174.138 0.300 . 1 . . . . 74 THR C . 10076 1 856 . 1 1 74 74 THR CA C 13 61.862 0.300 . 1 . . . . 74 THR CA . 10076 1 857 . 1 1 74 74 THR CB C 13 69.912 0.300 . 1 . . . . 74 THR CB . 10076 1 858 . 1 1 74 74 THR CG2 C 13 21.569 0.300 . 1 . . . . 74 THR CG2 . 10076 1 859 . 1 1 74 74 THR N N 15 112.978 0.300 . 1 . . . . 74 THR N . 10076 1 860 . 1 1 75 75 ALA H H 1 8.066 0.030 . 1 . . . . 75 ALA H . 10076 1 861 . 1 1 75 75 ALA HA H 1 4.395 0.030 . 1 . . . . 75 ALA HA . 10076 1 862 . 1 1 75 75 ALA HB1 H 1 1.165 0.030 . 1 . . . . 75 ALA HB . 10076 1 863 . 1 1 75 75 ALA HB2 H 1 1.165 0.030 . 1 . . . . 75 ALA HB . 10076 1 864 . 1 1 75 75 ALA HB3 H 1 1.165 0.030 . 1 . . . . 75 ALA HB . 10076 1 865 . 1 1 75 75 ALA C C 13 177.226 0.300 . 1 . . . . 75 ALA C . 10076 1 866 . 1 1 75 75 ALA CA C 13 52.052 0.300 . 1 . . . . 75 ALA CA . 10076 1 867 . 1 1 75 75 ALA CB C 13 19.875 0.300 . 1 . . . . 75 ALA CB . 10076 1 868 . 1 1 75 75 ALA N N 15 125.898 0.300 . 1 . . . . 75 ALA N . 10076 1 869 . 1 1 76 76 THR H H 1 8.349 0.030 . 1 . . . . 76 THR H . 10076 1 870 . 1 1 76 76 THR HA H 1 4.194 0.030 . 1 . . . . 76 THR HA . 10076 1 871 . 1 1 76 76 THR HB H 1 2.759 0.030 . 1 . . . . 76 THR HB . 10076 1 872 . 1 1 76 76 THR HG21 H 1 1.165 0.030 . 1 . . . . 76 THR HG2 . 10076 1 873 . 1 1 76 76 THR HG22 H 1 1.165 0.030 . 1 . . . . 76 THR HG2 . 10076 1 874 . 1 1 76 76 THR HG23 H 1 1.165 0.030 . 1 . . . . 76 THR HG2 . 10076 1 875 . 1 1 76 76 THR C C 13 172.811 0.300 . 1 . . . . 76 THR C . 10076 1 876 . 1 1 76 76 THR CA C 13 63.222 0.300 . 1 . . . . 76 THR CA . 10076 1 877 . 1 1 76 76 THR CB C 13 69.415 0.300 . 1 . . . . 76 THR CB . 10076 1 878 . 1 1 76 76 THR CG2 C 13 21.822 0.300 . 1 . . . . 76 THR CG2 . 10076 1 879 . 1 1 76 76 THR N N 15 120.462 0.300 . 1 . . . . 76 THR N . 10076 1 880 . 1 1 77 77 VAL H H 1 8.474 0.030 . 1 . . . . 77 VAL H . 10076 1 881 . 1 1 77 77 VAL HA H 1 4.670 0.030 . 1 . . . . 77 VAL HA . 10076 1 882 . 1 1 77 77 VAL HB H 1 1.779 0.030 . 1 . . . . 77 VAL HB . 10076 1 883 . 1 1 77 77 VAL HG11 H 1 0.609 0.030 . 1 . . . . 77 VAL HG1 . 10076 1 884 . 1 1 77 77 VAL HG12 H 1 0.609 0.030 . 1 . . . . 77 VAL HG1 . 10076 1 885 . 1 1 77 77 VAL HG13 H 1 0.609 0.030 . 1 . . . . 77 VAL HG1 . 10076 1 886 . 1 1 77 77 VAL HG21 H 1 0.705 0.030 . 1 . . . . 77 VAL HG2 . 10076 1 887 . 1 1 77 77 VAL HG22 H 1 0.705 0.030 . 1 . . . . 77 VAL HG2 . 10076 1 888 . 1 1 77 77 VAL HG23 H 1 0.705 0.030 . 1 . . . . 77 VAL HG2 . 10076 1 889 . 1 1 77 77 VAL C C 13 175.158 0.300 . 1 . . . . 77 VAL C . 10076 1 890 . 1 1 77 77 VAL CA C 13 61.076 0.300 . 1 . . . . 77 VAL CA . 10076 1 891 . 1 1 77 77 VAL CB C 13 34.383 0.300 . 1 . . . . 77 VAL CB . 10076 1 892 . 1 1 77 77 VAL CG1 C 13 20.766 0.300 . 2 . . . . 77 VAL CG1 . 10076 1 893 . 1 1 77 77 VAL CG2 C 13 20.556 0.300 . 2 . . . . 77 VAL CG2 . 10076 1 894 . 1 1 77 77 VAL N N 15 126.359 0.300 . 1 . . . . 77 VAL N . 10076 1 895 . 1 1 78 78 GLU H H 1 8.876 0.030 . 1 . . . . 78 GLU H . 10076 1 896 . 1 1 78 78 GLU HA H 1 4.787 0.030 . 1 . . . . 78 GLU HA . 10076 1 897 . 1 1 78 78 GLU HB2 H 1 1.774 0.030 . 1 . . . . 78 GLU HB2 . 10076 1 898 . 1 1 78 78 GLU HB3 H 1 1.774 0.030 . 1 . . . . 78 GLU HB3 . 10076 1 899 . 1 1 78 78 GLU HG2 H 1 2.274 0.030 . 1 . . . . 78 GLU HG2 . 10076 1 900 . 1 1 78 78 GLU HG3 H 1 2.274 0.030 . 1 . . . . 78 GLU HG3 . 10076 1 901 . 1 1 78 78 GLU C C 13 174.071 0.300 . 1 . . . . 78 GLU C . 10076 1 902 . 1 1 78 78 GLU CA C 13 55.379 0.300 . 1 . . . . 78 GLU CA . 10076 1 903 . 1 1 78 78 GLU CB C 13 33.692 0.300 . 1 . . . . 78 GLU CB . 10076 1 904 . 1 1 78 78 GLU CG C 13 36.177 0.300 . 1 . . . . 78 GLU CG . 10076 1 905 . 1 1 78 78 GLU N N 15 127.670 0.300 . 1 . . . . 78 GLU N . 10076 1 906 . 1 1 79 79 VAL H H 1 8.746 0.030 . 1 . . . . 79 VAL H . 10076 1 907 . 1 1 79 79 VAL HA H 1 4.889 0.030 . 1 . . . . 79 VAL HA . 10076 1 908 . 1 1 79 79 VAL HB H 1 2.028 0.030 . 1 . . . . 79 VAL HB . 10076 1 909 . 1 1 79 79 VAL HG11 H 1 1.129 0.030 . 1 . . . . 79 VAL HG1 . 10076 1 910 . 1 1 79 79 VAL HG12 H 1 1.129 0.030 . 1 . . . . 79 VAL HG1 . 10076 1 911 . 1 1 79 79 VAL HG13 H 1 1.129 0.030 . 1 . . . . 79 VAL HG1 . 10076 1 912 . 1 1 79 79 VAL HG21 H 1 0.956 0.030 . 1 . . . . 79 VAL HG2 . 10076 1 913 . 1 1 79 79 VAL HG22 H 1 0.956 0.030 . 1 . . . . 79 VAL HG2 . 10076 1 914 . 1 1 79 79 VAL HG23 H 1 0.956 0.030 . 1 . . . . 79 VAL HG2 . 10076 1 915 . 1 1 79 79 VAL C C 13 175.523 0.300 . 1 . . . . 79 VAL C . 10076 1 916 . 1 1 79 79 VAL CA C 13 62.215 0.300 . 1 . . . . 79 VAL CA . 10076 1 917 . 1 1 79 79 VAL CB C 13 32.891 0.300 . 1 . . . . 79 VAL CB . 10076 1 918 . 1 1 79 79 VAL CG1 C 13 21.833 0.300 . 2 . . . . 79 VAL CG1 . 10076 1 919 . 1 1 79 79 VAL CG2 C 13 21.822 0.300 . 2 . . . . 79 VAL CG2 . 10076 1 920 . 1 1 79 79 VAL N N 15 124.981 0.300 . 1 . . . . 79 VAL N . 10076 1 921 . 1 1 80 80 LEU H H 1 9.686 0.030 . 1 . . . . 80 LEU H . 10076 1 922 . 1 1 80 80 LEU HA H 1 4.997 0.030 . 1 . . . . 80 LEU HA . 10076 1 923 . 1 1 80 80 LEU HB2 H 1 2.084 0.030 . 2 . . . . 80 LEU HB2 . 10076 1 924 . 1 1 80 80 LEU HB3 H 1 1.751 0.030 . 2 . . . . 80 LEU HB3 . 10076 1 925 . 1 1 80 80 LEU HG H 1 1.691 0.030 . 1 . . . . 80 LEU HG . 10076 1 926 . 1 1 80 80 LEU HD11 H 1 1.019 0.030 . 1 . . . . 80 LEU HD1 . 10076 1 927 . 1 1 80 80 LEU HD12 H 1 1.019 0.030 . 1 . . . . 80 LEU HD1 . 10076 1 928 . 1 1 80 80 LEU HD13 H 1 1.019 0.030 . 1 . . . . 80 LEU HD1 . 10076 1 929 . 1 1 80 80 LEU HD21 H 1 1.142 0.030 . 1 . . . . 80 LEU HD2 . 10076 1 930 . 1 1 80 80 LEU HD22 H 1 1.142 0.030 . 1 . . . . 80 LEU HD2 . 10076 1 931 . 1 1 80 80 LEU HD23 H 1 1.142 0.030 . 1 . . . . 80 LEU HD2 . 10076 1 932 . 1 1 80 80 LEU C C 13 176.675 0.300 . 1 . . . . 80 LEU C . 10076 1 933 . 1 1 80 80 LEU CA C 13 53.493 0.300 . 1 . . . . 80 LEU CA . 10076 1 934 . 1 1 80 80 LEU CB C 13 46.153 0.300 . 1 . . . . 80 LEU CB . 10076 1 935 . 1 1 80 80 LEU CG C 13 28.381 0.300 . 1 . . . . 80 LEU CG . 10076 1 936 . 1 1 80 80 LEU CD1 C 13 26.899 0.300 . 2 . . . . 80 LEU CD1 . 10076 1 937 . 1 1 80 80 LEU CD2 C 13 24.407 0.300 . 2 . . . . 80 LEU CD2 . 10076 1 938 . 1 1 80 80 LEU N N 15 128.491 0.300 . 1 . . . . 80 LEU N . 10076 1 939 . 1 1 81 81 ALA H H 1 8.621 0.030 . 1 . . . . 81 ALA H . 10076 1 940 . 1 1 81 81 ALA HA H 1 4.654 0.030 . 1 . . . . 81 ALA HA . 10076 1 941 . 1 1 81 81 ALA HB1 H 1 1.677 0.030 . 1 . . . . 81 ALA HB . 10076 1 942 . 1 1 81 81 ALA HB2 H 1 1.677 0.030 . 1 . . . . 81 ALA HB . 10076 1 943 . 1 1 81 81 ALA HB3 H 1 1.677 0.030 . 1 . . . . 81 ALA HB . 10076 1 944 . 1 1 81 81 ALA C C 13 176.726 0.300 . 1 . . . . 81 ALA C . 10076 1 945 . 1 1 81 81 ALA CA C 13 50.812 0.300 . 1 . . . . 81 ALA CA . 10076 1 946 . 1 1 81 81 ALA CB C 13 18.437 0.300 . 1 . . . . 81 ALA CB . 10076 1 947 . 1 1 81 81 ALA N N 15 123.146 0.300 . 1 . . . . 81 ALA N . 10076 1 948 . 1 1 82 82 PRO HA H 1 4.546 0.030 . 1 . . . . 82 PRO HA . 10076 1 949 . 1 1 82 82 PRO HB2 H 1 2.121 0.030 . 2 . . . . 82 PRO HB2 . 10076 1 950 . 1 1 82 82 PRO HB3 H 1 1.732 0.030 . 2 . . . . 82 PRO HB3 . 10076 1 951 . 1 1 82 82 PRO HG2 H 1 2.129 0.030 . 2 . . . . 82 PRO HG2 . 10076 1 952 . 1 1 82 82 PRO HG3 H 1 2.041 0.030 . 2 . . . . 82 PRO HG3 . 10076 1 953 . 1 1 82 82 PRO HD2 H 1 3.987 0.030 . 2 . . . . 82 PRO HD2 . 10076 1 954 . 1 1 82 82 PRO HD3 H 1 3.909 0.030 . 2 . . . . 82 PRO HD3 . 10076 1 955 . 1 1 82 82 PRO C C 13 176.142 0.300 . 1 . . . . 82 PRO C . 10076 1 956 . 1 1 82 82 PRO CA C 13 64.083 0.300 . 1 . . . . 82 PRO CA . 10076 1 957 . 1 1 82 82 PRO CB C 13 32.032 0.300 . 1 . . . . 82 PRO CB . 10076 1 958 . 1 1 82 82 PRO CG C 13 27.624 0.300 . 1 . . . . 82 PRO CG . 10076 1 959 . 1 1 82 82 PRO CD C 13 49.508 0.300 . 1 . . . . 82 PRO CD . 10076 1 960 . 1 1 83 83 SER H H 1 7.279 0.030 . 1 . . . . 83 SER H . 10076 1 961 . 1 1 83 83 SER HA H 1 4.433 0.030 . 1 . . . . 83 SER HA . 10076 1 962 . 1 1 83 83 SER HB2 H 1 4.084 0.030 . 2 . . . . 83 SER HB2 . 10076 1 963 . 1 1 83 83 SER HB3 H 1 3.861 0.030 . 2 . . . . 83 SER HB3 . 10076 1 964 . 1 1 83 83 SER C C 13 174.766 0.300 . 1 . . . . 83 SER C . 10076 1 965 . 1 1 83 83 SER CA C 13 57.540 0.300 . 1 . . . . 83 SER CA . 10076 1 966 . 1 1 83 83 SER CB C 13 63.448 0.300 . 1 . . . . 83 SER CB . 10076 1 967 . 1 1 83 83 SER N N 15 110.470 0.300 . 1 . . . . 83 SER N . 10076 1 968 . 1 1 84 84 ALA H H 1 8.095 0.030 . 1 . . . . 84 ALA H . 10076 1 969 . 1 1 84 84 ALA HA H 1 4.266 0.030 . 1 . . . . 84 ALA HA . 10076 1 970 . 1 1 84 84 ALA HB1 H 1 1.833 0.030 . 1 . . . . 84 ALA HB . 10076 1 971 . 1 1 84 84 ALA HB2 H 1 1.833 0.030 . 1 . . . . 84 ALA HB . 10076 1 972 . 1 1 84 84 ALA HB3 H 1 1.833 0.030 . 1 . . . . 84 ALA HB . 10076 1 973 . 1 1 84 84 ALA C C 13 177.770 0.300 . 1 . . . . 84 ALA C . 10076 1 974 . 1 1 84 84 ALA CA C 13 53.728 0.300 . 1 . . . . 84 ALA CA . 10076 1 975 . 1 1 84 84 ALA CB C 13 20.984 0.300 . 1 . . . . 84 ALA CB . 10076 1 976 . 1 1 84 84 ALA N N 15 127.677 0.300 . 1 . . . . 84 ALA N . 10076 1 977 . 1 1 85 85 ARG H H 1 8.120 0.030 . 1 . . . . 85 ARG H . 10076 1 978 . 1 1 85 85 ARG HA H 1 2.679 0.030 . 1 . . . . 85 ARG HA . 10076 1 979 . 1 1 85 85 ARG HB2 H 1 1.755 0.030 . 2 . . . . 85 ARG HB2 . 10076 1 980 . 1 1 85 85 ARG HB3 H 1 1.115 0.030 . 2 . . . . 85 ARG HB3 . 10076 1 981 . 1 1 85 85 ARG HG2 H 1 1.390 0.030 . 2 . . . . 85 ARG HG2 . 10076 1 982 . 1 1 85 85 ARG HG3 H 1 1.291 0.030 . 2 . . . . 85 ARG HG3 . 10076 1 983 . 1 1 85 85 ARG HD2 H 1 2.915 0.030 . 2 . . . . 85 ARG HD2 . 10076 1 984 . 1 1 85 85 ARG HD3 H 1 2.799 0.030 . 2 . . . . 85 ARG HD3 . 10076 1 985 . 1 1 85 85 ARG HE H 1 7.295 0.030 . 1 . . . . 85 ARG HE . 10076 1 986 . 1 1 85 85 ARG C C 13 173.287 0.300 . 1 . . . . 85 ARG C . 10076 1 987 . 1 1 85 85 ARG CA C 13 52.457 0.300 . 1 . . . . 85 ARG CA . 10076 1 988 . 1 1 85 85 ARG CB C 13 31.841 0.300 . 1 . . . . 85 ARG CB . 10076 1 989 . 1 1 85 85 ARG CG C 13 26.556 0.300 . 1 . . . . 85 ARG CG . 10076 1 990 . 1 1 85 85 ARG CD C 13 41.976 0.300 . 1 . . . . 85 ARG CD . 10076 1 991 . 1 1 85 85 ARG N N 15 118.471 0.300 . 1 . . . . 85 ARG N . 10076 1 992 . 1 1 85 85 ARG NE N 15 85.100 0.300 . 1 . . . . 85 ARG NE . 10076 1 993 . 1 1 86 86 GLN H H 1 6.702 0.030 . 1 . . . . 86 GLN H . 10076 1 994 . 1 1 86 86 GLN HA H 1 5.271 0.030 . 1 . . . . 86 GLN HA . 10076 1 995 . 1 1 86 86 GLN HB2 H 1 1.850 0.030 . 2 . . . . 86 GLN HB2 . 10076 1 996 . 1 1 86 86 GLN HB3 H 1 1.766 0.030 . 2 . . . . 86 GLN HB3 . 10076 1 997 . 1 1 86 86 GLN HG2 H 1 2.232 0.030 . 2 . . . . 86 GLN HG2 . 10076 1 998 . 1 1 86 86 GLN HG3 H 1 2.037 0.030 . 2 . . . . 86 GLN HG3 . 10076 1 999 . 1 1 86 86 GLN HE21 H 1 7.440 0.030 . 2 . . . . 86 GLN HE21 . 10076 1 1000 . 1 1 86 86 GLN HE22 H 1 6.758 0.030 . 2 . . . . 86 GLN HE22 . 10076 1 1001 . 1 1 86 86 GLN C C 13 174.158 0.300 . 1 . . . . 86 GLN C . 10076 1 1002 . 1 1 86 86 GLN CA C 13 53.419 0.300 . 1 . . . . 86 GLN CA . 10076 1 1003 . 1 1 86 86 GLN CB C 13 32.808 0.300 . 1 . . . . 86 GLN CB . 10076 1 1004 . 1 1 86 86 GLN CG C 13 32.560 0.300 . 1 . . . . 86 GLN CG . 10076 1 1005 . 1 1 86 86 GLN N N 15 113.793 0.300 . 1 . . . . 86 GLN N . 10076 1 1006 . 1 1 86 86 GLN NE2 N 15 111.840 0.300 . 1 . . . . 86 GLN NE2 . 10076 1 1007 . 1 1 87 87 TYR H H 1 9.096 0.030 . 1 . . . . 87 TYR H . 10076 1 1008 . 1 1 87 87 TYR HA H 1 4.762 0.030 . 1 . . . . 87 TYR HA . 10076 1 1009 . 1 1 87 87 TYR HB2 H 1 3.481 0.030 . 2 . . . . 87 TYR HB2 . 10076 1 1010 . 1 1 87 87 TYR HB3 H 1 2.708 0.030 . 2 . . . . 87 TYR HB3 . 10076 1 1011 . 1 1 87 87 TYR HD1 H 1 7.116 0.030 . 1 . . . . 87 TYR HD1 . 10076 1 1012 . 1 1 87 87 TYR HD2 H 1 7.116 0.030 . 1 . . . . 87 TYR HD2 . 10076 1 1013 . 1 1 87 87 TYR HE1 H 1 6.816 0.030 . 1 . . . . 87 TYR HE1 . 10076 1 1014 . 1 1 87 87 TYR HE2 H 1 6.816 0.030 . 1 . . . . 87 TYR HE2 . 10076 1 1015 . 1 1 87 87 TYR C C 13 172.827 0.300 . 1 . . . . 87 TYR C . 10076 1 1016 . 1 1 87 87 TYR CA C 13 58.142 0.300 . 1 . . . . 87 TYR CA . 10076 1 1017 . 1 1 87 87 TYR CB C 13 42.754 0.300 . 1 . . . . 87 TYR CB . 10076 1 1018 . 1 1 87 87 TYR CD1 C 13 132.833 0.300 . 1 . . . . 87 TYR CD1 . 10076 1 1019 . 1 1 87 87 TYR CD2 C 13 132.833 0.300 . 1 . . . . 87 TYR CD2 . 10076 1 1020 . 1 1 87 87 TYR CE1 C 13 118.140 0.300 . 1 . . . . 87 TYR CE1 . 10076 1 1021 . 1 1 87 87 TYR CE2 C 13 118.140 0.300 . 1 . . . . 87 TYR CE2 . 10076 1 1022 . 1 1 87 87 TYR N N 15 122.170 0.300 . 1 . . . . 87 TYR N . 10076 1 1023 . 1 1 88 88 THR H H 1 7.662 0.030 . 1 . . . . 88 THR H . 10076 1 1024 . 1 1 88 88 THR HA H 1 5.003 0.030 . 1 . . . . 88 THR HA . 10076 1 1025 . 1 1 88 88 THR HB H 1 3.709 0.030 . 1 . . . . 88 THR HB . 10076 1 1026 . 1 1 88 88 THR HG21 H 1 0.857 0.030 . 1 . . . . 88 THR HG2 . 10076 1 1027 . 1 1 88 88 THR HG22 H 1 0.857 0.030 . 1 . . . . 88 THR HG2 . 10076 1 1028 . 1 1 88 88 THR HG23 H 1 0.857 0.030 . 1 . . . . 88 THR HG2 . 10076 1 1029 . 1 1 88 88 THR C C 13 172.157 0.300 . 1 . . . . 88 THR C . 10076 1 1030 . 1 1 88 88 THR CA C 13 61.180 0.300 . 1 . . . . 88 THR CA . 10076 1 1031 . 1 1 88 88 THR CB C 13 69.735 0.300 . 1 . . . . 88 THR CB . 10076 1 1032 . 1 1 88 88 THR CG2 C 13 20.738 0.300 . 1 . . . . 88 THR CG2 . 10076 1 1033 . 1 1 88 88 THR N N 15 123.531 0.300 . 1 . . . . 88 THR N . 10076 1 1034 . 1 1 89 89 ALA H H 1 8.680 0.030 . 1 . . . . 89 ALA H . 10076 1 1035 . 1 1 89 89 ALA HA H 1 4.540 0.030 . 1 . . . . 89 ALA HA . 10076 1 1036 . 1 1 89 89 ALA HB1 H 1 1.143 0.030 . 1 . . . . 89 ALA HB . 10076 1 1037 . 1 1 89 89 ALA HB2 H 1 1.143 0.030 . 1 . . . . 89 ALA HB . 10076 1 1038 . 1 1 89 89 ALA HB3 H 1 1.143 0.030 . 1 . . . . 89 ALA HB . 10076 1 1039 . 1 1 89 89 ALA C C 13 175.785 0.300 . 1 . . . . 89 ALA C . 10076 1 1040 . 1 1 89 89 ALA CA C 13 50.046 0.300 . 1 . . . . 89 ALA CA . 10076 1 1041 . 1 1 89 89 ALA CB C 13 20.707 0.300 . 1 . . . . 89 ALA CB . 10076 1 1042 . 1 1 89 89 ALA N N 15 130.190 0.300 . 1 . . . . 89 ALA N . 10076 1 1043 . 1 1 90 90 THR H H 1 8.225 0.030 . 1 . . . . 90 THR H . 10076 1 1044 . 1 1 90 90 THR HA H 1 4.833 0.030 . 1 . . . . 90 THR HA . 10076 1 1045 . 1 1 90 90 THR HB H 1 4.347 0.030 . 1 . . . . 90 THR HB . 10076 1 1046 . 1 1 90 90 THR HG21 H 1 1.030 0.030 . 1 . . . . 90 THR HG2 . 10076 1 1047 . 1 1 90 90 THR HG22 H 1 1.030 0.030 . 1 . . . . 90 THR HG2 . 10076 1 1048 . 1 1 90 90 THR HG23 H 1 1.030 0.030 . 1 . . . . 90 THR HG2 . 10076 1 1049 . 1 1 90 90 THR C C 13 174.305 0.300 . 1 . . . . 90 THR C . 10076 1 1050 . 1 1 90 90 THR CA C 13 59.831 0.300 . 1 . . . . 90 THR CA . 10076 1 1051 . 1 1 90 90 THR CB C 13 71.432 0.300 . 1 . . . . 90 THR CB . 10076 1 1052 . 1 1 90 90 THR CG2 C 13 21.648 0.300 . 1 . . . . 90 THR CG2 . 10076 1 1053 . 1 1 90 90 THR N N 15 111.429 0.300 . 1 . . . . 90 THR N . 10076 1 1054 . 1 1 91 91 GLY H H 1 8.874 0.030 . 1 . . . . 91 GLY H . 10076 1 1055 . 1 1 91 91 GLY HA2 H 1 3.988 0.030 . 2 . . . . 91 GLY HA2 . 10076 1 1056 . 1 1 91 91 GLY HA3 H 1 3.883 0.030 . 2 . . . . 91 GLY HA3 . 10076 1 1057 . 1 1 91 91 GLY C C 13 175.554 0.300 . 1 . . . . 91 GLY C . 10076 1 1058 . 1 1 91 91 GLY CA C 13 46.432 0.300 . 1 . . . . 91 GLY CA . 10076 1 1059 . 1 1 91 91 GLY N N 15 108.249 0.300 . 1 . . . . 91 GLY N . 10076 1 1060 . 1 1 92 92 LEU H H 1 8.375 0.030 . 1 . . . . 92 LEU H . 10076 1 1061 . 1 1 92 92 LEU HA H 1 4.208 0.030 . 1 . . . . 92 LEU HA . 10076 1 1062 . 1 1 92 92 LEU HB2 H 1 1.241 0.030 . 2 . . . . 92 LEU HB2 . 10076 1 1063 . 1 1 92 92 LEU HB3 H 1 0.961 0.030 . 2 . . . . 92 LEU HB3 . 10076 1 1064 . 1 1 92 92 LEU HG H 1 1.016 0.030 . 1 . . . . 92 LEU HG . 10076 1 1065 . 1 1 92 92 LEU HD11 H 1 0.094 0.030 . 1 . . . . 92 LEU HD1 . 10076 1 1066 . 1 1 92 92 LEU HD12 H 1 0.094 0.030 . 1 . . . . 92 LEU HD1 . 10076 1 1067 . 1 1 92 92 LEU HD13 H 1 0.094 0.030 . 1 . . . . 92 LEU HD1 . 10076 1 1068 . 1 1 92 92 LEU HD21 H 1 0.063 0.030 . 1 . . . . 92 LEU HD2 . 10076 1 1069 . 1 1 92 92 LEU HD22 H 1 0.063 0.030 . 1 . . . . 92 LEU HD2 . 10076 1 1070 . 1 1 92 92 LEU HD23 H 1 0.063 0.030 . 1 . . . . 92 LEU HD2 . 10076 1 1071 . 1 1 92 92 LEU C C 13 175.557 0.300 . 1 . . . . 92 LEU C . 10076 1 1072 . 1 1 92 92 LEU CA C 13 53.490 0.300 . 1 . . . . 92 LEU CA . 10076 1 1073 . 1 1 92 92 LEU CB C 13 40.793 0.300 . 1 . . . . 92 LEU CB . 10076 1 1074 . 1 1 92 92 LEU CG C 13 26.449 0.300 . 1 . . . . 92 LEU CG . 10076 1 1075 . 1 1 92 92 LEU CD1 C 13 26.178 0.300 . 2 . . . . 92 LEU CD1 . 10076 1 1076 . 1 1 92 92 LEU CD2 C 13 20.308 0.300 . 2 . . . . 92 LEU CD2 . 10076 1 1077 . 1 1 92 92 LEU N N 15 118.733 0.300 . 1 . . . . 92 LEU N . 10076 1 1078 . 1 1 93 93 LYS H H 1 8.868 0.030 . 1 . . . . 93 LYS H . 10076 1 1079 . 1 1 93 93 LYS HA H 1 4.665 0.030 . 1 . . . . 93 LYS HA . 10076 1 1080 . 1 1 93 93 LYS HB2 H 1 1.888 0.030 . 1 . . . . 93 LYS HB2 . 10076 1 1081 . 1 1 93 93 LYS HB3 H 1 1.888 0.030 . 1 . . . . 93 LYS HB3 . 10076 1 1082 . 1 1 93 93 LYS HG2 H 1 1.595 0.030 . 2 . . . . 93 LYS HG2 . 10076 1 1083 . 1 1 93 93 LYS HG3 H 1 1.539 0.030 . 2 . . . . 93 LYS HG3 . 10076 1 1084 . 1 1 93 93 LYS HD2 H 1 1.696 0.030 . 1 . . . . 93 LYS HD2 . 10076 1 1085 . 1 1 93 93 LYS HD3 H 1 1.696 0.030 . 1 . . . . 93 LYS HD3 . 10076 1 1086 . 1 1 93 93 LYS HE2 H 1 3.014 0.030 . 1 . . . . 93 LYS HE2 . 10076 1 1087 . 1 1 93 93 LYS HE3 H 1 3.014 0.030 . 1 . . . . 93 LYS HE3 . 10076 1 1088 . 1 1 93 93 LYS C C 13 174.944 0.300 . 1 . . . . 93 LYS C . 10076 1 1089 . 1 1 93 93 LYS CA C 13 53.745 0.300 . 1 . . . . 93 LYS CA . 10076 1 1090 . 1 1 93 93 LYS CB C 13 33.641 0.300 . 1 . . . . 93 LYS CB . 10076 1 1091 . 1 1 93 93 LYS CG C 13 24.875 0.300 . 1 . . . . 93 LYS CG . 10076 1 1092 . 1 1 93 93 LYS CD C 13 29.551 0.300 . 1 . . . . 93 LYS CD . 10076 1 1093 . 1 1 93 93 LYS CE C 13 42.295 0.300 . 1 . . . . 93 LYS CE . 10076 1 1094 . 1 1 93 93 LYS N N 15 122.155 0.300 . 1 . . . . 93 LYS N . 10076 1 1095 . 1 1 94 94 PRO HA H 1 5.285 0.030 . 1 . . . . 94 PRO HA . 10076 1 1096 . 1 1 94 94 PRO HB2 H 1 2.380 0.030 . 2 . . . . 94 PRO HB2 . 10076 1 1097 . 1 1 94 94 PRO HB3 H 1 1.947 0.030 . 2 . . . . 94 PRO HB3 . 10076 1 1098 . 1 1 94 94 PRO HG2 H 1 2.044 0.030 . 2 . . . . 94 PRO HG2 . 10076 1 1099 . 1 1 94 94 PRO HG3 H 1 1.836 0.030 . 2 . . . . 94 PRO HG3 . 10076 1 1100 . 1 1 94 94 PRO HD2 H 1 4.053 0.030 . 2 . . . . 94 PRO HD2 . 10076 1 1101 . 1 1 94 94 PRO HD3 H 1 3.626 0.030 . 2 . . . . 94 PRO HD3 . 10076 1 1102 . 1 1 94 94 PRO C C 13 177.958 0.300 . 1 . . . . 94 PRO C . 10076 1 1103 . 1 1 94 94 PRO CA C 13 63.038 0.300 . 1 . . . . 94 PRO CA . 10076 1 1104 . 1 1 94 94 PRO CB C 13 34.075 0.300 . 1 . . . . 94 PRO CB . 10076 1 1105 . 1 1 94 94 PRO CG C 13 27.435 0.300 . 1 . . . . 94 PRO CG . 10076 1 1106 . 1 1 94 94 PRO CD C 13 51.279 0.300 . 1 . . . . 94 PRO CD . 10076 1 1107 . 1 1 95 95 GLU H H 1 8.796 0.030 . 1 . . . . 95 GLU H . 10076 1 1108 . 1 1 95 95 GLU HA H 1 3.710 0.030 . 1 . . . . 95 GLU HA . 10076 1 1109 . 1 1 95 95 GLU HB2 H 1 2.136 0.030 . 2 . . . . 95 GLU HB2 . 10076 1 1110 . 1 1 95 95 GLU HB3 H 1 1.927 0.030 . 2 . . . . 95 GLU HB3 . 10076 1 1111 . 1 1 95 95 GLU HG2 H 1 2.304 0.030 . 2 . . . . 95 GLU HG2 . 10076 1 1112 . 1 1 95 95 GLU HG3 H 1 2.173 0.030 . 2 . . . . 95 GLU HG3 . 10076 1 1113 . 1 1 95 95 GLU C C 13 175.863 0.300 . 1 . . . . 95 GLU C . 10076 1 1114 . 1 1 95 95 GLU CA C 13 55.942 0.300 . 1 . . . . 95 GLU CA . 10076 1 1115 . 1 1 95 95 GLU CB C 13 27.394 0.300 . 1 . . . . 95 GLU CB . 10076 1 1116 . 1 1 95 95 GLU CG C 13 36.138 0.300 . 1 . . . . 95 GLU CG . 10076 1 1117 . 1 1 95 95 GLU N N 15 122.393 0.300 . 1 . . . . 95 GLU N . 10076 1 1118 . 1 1 96 96 SER H H 1 8.420 0.030 . 1 . . . . 96 SER H . 10076 1 1119 . 1 1 96 96 SER HA H 1 4.945 0.030 . 1 . . . . 96 SER HA . 10076 1 1120 . 1 1 96 96 SER HB2 H 1 3.687 0.030 . 2 . . . . 96 SER HB2 . 10076 1 1121 . 1 1 96 96 SER HB3 H 1 3.374 0.030 . 2 . . . . 96 SER HB3 . 10076 1 1122 . 1 1 96 96 SER C C 13 170.517 0.300 . 1 . . . . 96 SER C . 10076 1 1123 . 1 1 96 96 SER CA C 13 58.170 0.300 . 1 . . . . 96 SER CA . 10076 1 1124 . 1 1 96 96 SER CB C 13 66.845 0.300 . 1 . . . . 96 SER CB . 10076 1 1125 . 1 1 96 96 SER N N 15 114.034 0.300 . 1 . . . . 96 SER N . 10076 1 1126 . 1 1 97 97 VAL H H 1 8.259 0.030 . 1 . . . . 97 VAL H . 10076 1 1127 . 1 1 97 97 VAL HA H 1 4.567 0.030 . 1 . . . . 97 VAL HA . 10076 1 1128 . 1 1 97 97 VAL HB H 1 2.001 0.030 . 1 . . . . 97 VAL HB . 10076 1 1129 . 1 1 97 97 VAL HG11 H 1 0.895 0.030 . 1 . . . . 97 VAL HG1 . 10076 1 1130 . 1 1 97 97 VAL HG12 H 1 0.895 0.030 . 1 . . . . 97 VAL HG1 . 10076 1 1131 . 1 1 97 97 VAL HG13 H 1 0.895 0.030 . 1 . . . . 97 VAL HG1 . 10076 1 1132 . 1 1 97 97 VAL HG21 H 1 0.996 0.030 . 1 . . . . 97 VAL HG2 . 10076 1 1133 . 1 1 97 97 VAL HG22 H 1 0.996 0.030 . 1 . . . . 97 VAL HG2 . 10076 1 1134 . 1 1 97 97 VAL HG23 H 1 0.996 0.030 . 1 . . . . 97 VAL HG2 . 10076 1 1135 . 1 1 97 97 VAL C C 13 175.512 0.300 . 1 . . . . 97 VAL C . 10076 1 1136 . 1 1 97 97 VAL CA C 13 61.836 0.300 . 1 . . . . 97 VAL CA . 10076 1 1137 . 1 1 97 97 VAL CB C 13 32.077 0.300 . 1 . . . . 97 VAL CB . 10076 1 1138 . 1 1 97 97 VAL CG1 C 13 22.326 0.300 . 2 . . . . 97 VAL CG1 . 10076 1 1139 . 1 1 97 97 VAL CG2 C 13 20.939 0.300 . 2 . . . . 97 VAL CG2 . 10076 1 1140 . 1 1 97 97 VAL N N 15 121.435 0.300 . 1 . . . . 97 VAL N . 10076 1 1141 . 1 1 98 98 TYR H H 1 9.653 0.030 . 1 . . . . 98 TYR H . 10076 1 1142 . 1 1 98 98 TYR HA H 1 4.764 0.030 . 1 . . . . 98 TYR HA . 10076 1 1143 . 1 1 98 98 TYR HB2 H 1 2.857 0.030 . 2 . . . . 98 TYR HB2 . 10076 1 1144 . 1 1 98 98 TYR HB3 H 1 2.624 0.030 . 2 . . . . 98 TYR HB3 . 10076 1 1145 . 1 1 98 98 TYR HD1 H 1 6.829 0.030 . 1 . . . . 98 TYR HD1 . 10076 1 1146 . 1 1 98 98 TYR HD2 H 1 6.829 0.030 . 1 . . . . 98 TYR HD2 . 10076 1 1147 . 1 1 98 98 TYR HE1 H 1 6.964 0.030 . 1 . . . . 98 TYR HE1 . 10076 1 1148 . 1 1 98 98 TYR HE2 H 1 6.964 0.030 . 1 . . . . 98 TYR HE2 . 10076 1 1149 . 1 1 98 98 TYR C C 13 173.890 0.300 . 1 . . . . 98 TYR C . 10076 1 1150 . 1 1 98 98 TYR CA C 13 58.443 0.300 . 1 . . . . 98 TYR CA . 10076 1 1151 . 1 1 98 98 TYR CB C 13 43.528 0.300 . 1 . . . . 98 TYR CB . 10076 1 1152 . 1 1 98 98 TYR CD1 C 13 132.402 0.300 . 1 . . . . 98 TYR CD1 . 10076 1 1153 . 1 1 98 98 TYR CD2 C 13 132.402 0.300 . 1 . . . . 98 TYR CD2 . 10076 1 1154 . 1 1 98 98 TYR CE1 C 13 118.778 0.300 . 1 . . . . 98 TYR CE1 . 10076 1 1155 . 1 1 98 98 TYR CE2 C 13 118.778 0.300 . 1 . . . . 98 TYR CE2 . 10076 1 1156 . 1 1 98 98 TYR N N 15 127.432 0.300 . 1 . . . . 98 TYR N . 10076 1 1157 . 1 1 99 99 LEU H H 1 8.945 0.030 . 1 . . . . 99 LEU H . 10076 1 1158 . 1 1 99 99 LEU HA H 1 5.057 0.030 . 1 . . . . 99 LEU HA . 10076 1 1159 . 1 1 99 99 LEU HB2 H 1 1.643 0.030 . 2 . . . . 99 LEU HB2 . 10076 1 1160 . 1 1 99 99 LEU HB3 H 1 1.358 0.030 . 2 . . . . 99 LEU HB3 . 10076 1 1161 . 1 1 99 99 LEU HG H 1 1.316 0.030 . 1 . . . . 99 LEU HG . 10076 1 1162 . 1 1 99 99 LEU HD11 H 1 0.782 0.030 . 1 . . . . 99 LEU HD1 . 10076 1 1163 . 1 1 99 99 LEU HD12 H 1 0.782 0.030 . 1 . . . . 99 LEU HD1 . 10076 1 1164 . 1 1 99 99 LEU HD13 H 1 0.782 0.030 . 1 . . . . 99 LEU HD1 . 10076 1 1165 . 1 1 99 99 LEU HD21 H 1 0.858 0.030 . 1 . . . . 99 LEU HD2 . 10076 1 1166 . 1 1 99 99 LEU HD22 H 1 0.858 0.030 . 1 . . . . 99 LEU HD2 . 10076 1 1167 . 1 1 99 99 LEU HD23 H 1 0.858 0.030 . 1 . . . . 99 LEU HD2 . 10076 1 1168 . 1 1 99 99 LEU C C 13 176.387 0.300 . 1 . . . . 99 LEU C . 10076 1 1169 . 1 1 99 99 LEU CA C 13 54.105 0.300 . 1 . . . . 99 LEU CA . 10076 1 1170 . 1 1 99 99 LEU CB C 13 44.412 0.300 . 1 . . . . 99 LEU CB . 10076 1 1171 . 1 1 99 99 LEU CG C 13 27.966 0.300 . 1 . . . . 99 LEU CG . 10076 1 1172 . 1 1 99 99 LEU CD1 C 13 25.734 0.300 . 2 . . . . 99 LEU CD1 . 10076 1 1173 . 1 1 99 99 LEU CD2 C 13 23.866 0.300 . 2 . . . . 99 LEU CD2 . 10076 1 1174 . 1 1 99 99 LEU N N 15 122.123 0.300 . 1 . . . . 99 LEU N . 10076 1 1175 . 1 1 100 100 PHE H H 1 9.585 0.030 . 1 . . . . 100 PHE H . 10076 1 1176 . 1 1 100 100 PHE HA H 1 5.445 0.030 . 1 . . . . 100 PHE HA . 10076 1 1177 . 1 1 100 100 PHE HB2 H 1 3.307 0.030 . 2 . . . . 100 PHE HB2 . 10076 1 1178 . 1 1 100 100 PHE HB3 H 1 2.705 0.030 . 2 . . . . 100 PHE HB3 . 10076 1 1179 . 1 1 100 100 PHE HD1 H 1 7.185 0.030 . 1 . . . . 100 PHE HD1 . 10076 1 1180 . 1 1 100 100 PHE HD2 H 1 7.185 0.030 . 1 . . . . 100 PHE HD2 . 10076 1 1181 . 1 1 100 100 PHE HE1 H 1 6.832 0.030 . 1 . . . . 100 PHE HE1 . 10076 1 1182 . 1 1 100 100 PHE HE2 H 1 6.832 0.030 . 1 . . . . 100 PHE HE2 . 10076 1 1183 . 1 1 100 100 PHE HZ H 1 6.408 0.030 . 1 . . . . 100 PHE HZ . 10076 1 1184 . 1 1 100 100 PHE C C 13 174.689 0.300 . 1 . . . . 100 PHE C . 10076 1 1185 . 1 1 100 100 PHE CA C 13 57.014 0.300 . 1 . . . . 100 PHE CA . 10076 1 1186 . 1 1 100 100 PHE CB C 13 43.058 0.300 . 1 . . . . 100 PHE CB . 10076 1 1187 . 1 1 100 100 PHE CD1 C 13 131.829 0.300 . 1 . . . . 100 PHE CD1 . 10076 1 1188 . 1 1 100 100 PHE CD2 C 13 131.829 0.300 . 1 . . . . 100 PHE CD2 . 10076 1 1189 . 1 1 100 100 PHE CE1 C 13 130.817 0.300 . 1 . . . . 100 PHE CE1 . 10076 1 1190 . 1 1 100 100 PHE CE2 C 13 130.817 0.300 . 1 . . . . 100 PHE CE2 . 10076 1 1191 . 1 1 100 100 PHE CZ C 13 128.843 0.300 . 1 . . . . 100 PHE CZ . 10076 1 1192 . 1 1 100 100 PHE N N 15 127.911 0.300 . 1 . . . . 100 PHE N . 10076 1 1193 . 1 1 101 101 ARG H H 1 8.933 0.030 . 1 . . . . 101 ARG H . 10076 1 1194 . 1 1 101 101 ARG HA H 1 5.525 0.030 . 1 . . . . 101 ARG HA . 10076 1 1195 . 1 1 101 101 ARG HB2 H 1 1.701 0.030 . 2 . . . . 101 ARG HB2 . 10076 1 1196 . 1 1 101 101 ARG HB3 H 1 1.621 0.030 . 2 . . . . 101 ARG HB3 . 10076 1 1197 . 1 1 101 101 ARG HG2 H 1 1.509 0.030 . 2 . . . . 101 ARG HG2 . 10076 1 1198 . 1 1 101 101 ARG HG3 H 1 1.493 0.030 . 2 . . . . 101 ARG HG3 . 10076 1 1199 . 1 1 101 101 ARG HD2 H 1 3.145 0.030 . 2 . . . . 101 ARG HD2 . 10076 1 1200 . 1 1 101 101 ARG HD3 H 1 2.890 0.030 . 2 . . . . 101 ARG HD3 . 10076 1 1201 . 1 1 101 101 ARG HE H 1 7.638 0.030 . 1 . . . . 101 ARG HE . 10076 1 1202 . 1 1 101 101 ARG C C 13 175.397 0.300 . 1 . . . . 101 ARG C . 10076 1 1203 . 1 1 101 101 ARG CA C 13 54.422 0.300 . 1 . . . . 101 ARG CA . 10076 1 1204 . 1 1 101 101 ARG CB C 13 33.936 0.300 . 1 . . . . 101 ARG CB . 10076 1 1205 . 1 1 101 101 ARG CG C 13 28.542 0.300 . 1 . . . . 101 ARG CG . 10076 1 1206 . 1 1 101 101 ARG CD C 13 43.769 0.300 . 1 . . . . 101 ARG CD . 10076 1 1207 . 1 1 101 101 ARG N N 15 119.342 0.300 . 1 . . . . 101 ARG N . 10076 1 1208 . 1 1 101 101 ARG NE N 15 84.642 0.300 . 1 . . . . 101 ARG NE . 10076 1 1209 . 1 1 102 102 ILE H H 1 9.074 0.030 . 1 . . . . 102 ILE H . 10076 1 1210 . 1 1 102 102 ILE HA H 1 5.315 0.030 . 1 . . . . 102 ILE HA . 10076 1 1211 . 1 1 102 102 ILE HB H 1 1.302 0.030 . 1 . . . . 102 ILE HB . 10076 1 1212 . 1 1 102 102 ILE HG12 H 1 1.251 0.030 . 2 . . . . 102 ILE HG12 . 10076 1 1213 . 1 1 102 102 ILE HG13 H 1 0.591 0.030 . 2 . . . . 102 ILE HG13 . 10076 1 1214 . 1 1 102 102 ILE HG21 H 1 0.205 0.030 . 1 . . . . 102 ILE HG2 . 10076 1 1215 . 1 1 102 102 ILE HG22 H 1 0.205 0.030 . 1 . . . . 102 ILE HG2 . 10076 1 1216 . 1 1 102 102 ILE HG23 H 1 0.205 0.030 . 1 . . . . 102 ILE HG2 . 10076 1 1217 . 1 1 102 102 ILE HD11 H 1 -0.075 0.030 . 1 . . . . 102 ILE HD1 . 10076 1 1218 . 1 1 102 102 ILE HD12 H 1 -0.075 0.030 . 1 . . . . 102 ILE HD1 . 10076 1 1219 . 1 1 102 102 ILE HD13 H 1 -0.075 0.030 . 1 . . . . 102 ILE HD1 . 10076 1 1220 . 1 1 102 102 ILE C C 13 174.283 0.300 . 1 . . . . 102 ILE C . 10076 1 1221 . 1 1 102 102 ILE CA C 13 59.859 0.300 . 1 . . . . 102 ILE CA . 10076 1 1222 . 1 1 102 102 ILE CB C 13 41.262 0.300 . 1 . . . . 102 ILE CB . 10076 1 1223 . 1 1 102 102 ILE CG1 C 13 28.002 0.300 . 1 . . . . 102 ILE CG1 . 10076 1 1224 . 1 1 102 102 ILE CG2 C 13 16.752 0.300 . 1 . . . . 102 ILE CG2 . 10076 1 1225 . 1 1 102 102 ILE CD1 C 13 14.112 0.300 . 1 . . . . 102 ILE CD1 . 10076 1 1226 . 1 1 102 102 ILE N N 15 123.099 0.300 . 1 . . . . 102 ILE N . 10076 1 1227 . 1 1 103 103 THR H H 1 8.719 0.030 . 1 . . . . 103 THR H . 10076 1 1228 . 1 1 103 103 THR HA H 1 4.649 0.030 . 1 . . . . 103 THR HA . 10076 1 1229 . 1 1 103 103 THR HB H 1 3.935 0.030 . 1 . . . . 103 THR HB . 10076 1 1230 . 1 1 103 103 THR HG21 H 1 1.295 0.030 . 1 . . . . 103 THR HG2 . 10076 1 1231 . 1 1 103 103 THR HG22 H 1 1.295 0.030 . 1 . . . . 103 THR HG2 . 10076 1 1232 . 1 1 103 103 THR HG23 H 1 1.295 0.030 . 1 . . . . 103 THR HG2 . 10076 1 1233 . 1 1 103 103 THR C C 13 172.415 0.300 . 1 . . . . 103 THR C . 10076 1 1234 . 1 1 103 103 THR CA C 13 60.552 0.300 . 1 . . . . 103 THR CA . 10076 1 1235 . 1 1 103 103 THR CB C 13 71.709 0.300 . 1 . . . . 103 THR CB . 10076 1 1236 . 1 1 103 103 THR CG2 C 13 23.714 0.300 . 1 . . . . 103 THR CG2 . 10076 1 1237 . 1 1 103 103 THR N N 15 119.662 0.300 . 1 . . . . 103 THR N . 10076 1 1238 . 1 1 104 104 ALA H H 1 9.696 0.030 . 1 . . . . 104 ALA H . 10076 1 1239 . 1 1 104 104 ALA HA H 1 5.231 0.030 . 1 . . . . 104 ALA HA . 10076 1 1240 . 1 1 104 104 ALA HB1 H 1 1.323 0.030 . 1 . . . . 104 ALA HB . 10076 1 1241 . 1 1 104 104 ALA HB2 H 1 1.323 0.030 . 1 . . . . 104 ALA HB . 10076 1 1242 . 1 1 104 104 ALA HB3 H 1 1.323 0.030 . 1 . . . . 104 ALA HB . 10076 1 1243 . 1 1 104 104 ALA C C 13 174.293 0.300 . 1 . . . . 104 ALA C . 10076 1 1244 . 1 1 104 104 ALA CA C 13 50.321 0.300 . 1 . . . . 104 ALA CA . 10076 1 1245 . 1 1 104 104 ALA CB C 13 22.448 0.300 . 1 . . . . 104 ALA CB . 10076 1 1246 . 1 1 104 104 ALA N N 15 127.560 0.300 . 1 . . . . 104 ALA N . 10076 1 1247 . 1 1 105 105 GLN H H 1 7.624 0.030 . 1 . . . . 105 GLN H . 10076 1 1248 . 1 1 105 105 GLN HA H 1 4.478 0.030 . 1 . . . . 105 GLN HA . 10076 1 1249 . 1 1 105 105 GLN HB2 H 1 1.045 0.030 . 2 . . . . 105 GLN HB2 . 10076 1 1250 . 1 1 105 105 GLN HB3 H 1 -0.520 0.030 . 2 . . . . 105 GLN HB3 . 10076 1 1251 . 1 1 105 105 GLN HG2 H 1 1.761 0.030 . 2 . . . . 105 GLN HG2 . 10076 1 1252 . 1 1 105 105 GLN HG3 H 1 0.351 0.030 . 2 . . . . 105 GLN HG3 . 10076 1 1253 . 1 1 105 105 GLN HE21 H 1 6.040 0.030 . 2 . . . . 105 GLN HE21 . 10076 1 1254 . 1 1 105 105 GLN HE22 H 1 5.986 0.030 . 2 . . . . 105 GLN HE22 . 10076 1 1255 . 1 1 105 105 GLN C C 13 176.553 0.300 . 1 . . . . 105 GLN C . 10076 1 1256 . 1 1 105 105 GLN CA C 13 53.728 0.300 . 1 . . . . 105 GLN CA . 10076 1 1257 . 1 1 105 105 GLN CB C 13 31.566 0.300 . 1 . . . . 105 GLN CB . 10076 1 1258 . 1 1 105 105 GLN CG C 13 32.669 0.300 . 1 . . . . 105 GLN CG . 10076 1 1259 . 1 1 105 105 GLN N N 15 120.572 0.300 . 1 . . . . 105 GLN N . 10076 1 1260 . 1 1 105 105 GLN NE2 N 15 106.914 0.300 . 1 . . . . 105 GLN NE2 . 10076 1 1261 . 1 1 106 106 THR H H 1 8.208 0.030 . 1 . . . . 106 THR H . 10076 1 1262 . 1 1 106 106 THR HA H 1 4.883 0.030 . 1 . . . . 106 THR HA . 10076 1 1263 . 1 1 106 106 THR HB H 1 4.588 0.030 . 1 . . . . 106 THR HB . 10076 1 1264 . 1 1 106 106 THR HG21 H 1 1.002 0.030 . 1 . . . . 106 THR HG2 . 10076 1 1265 . 1 1 106 106 THR HG22 H 1 1.002 0.030 . 1 . . . . 106 THR HG2 . 10076 1 1266 . 1 1 106 106 THR HG23 H 1 1.002 0.030 . 1 . . . . 106 THR HG2 . 10076 1 1267 . 1 1 106 106 THR C C 13 176.751 0.300 . 1 . . . . 106 THR C . 10076 1 1268 . 1 1 106 106 THR CA C 13 60.157 0.300 . 1 . . . . 106 THR CA . 10076 1 1269 . 1 1 106 106 THR CB C 13 73.117 0.300 . 1 . . . . 106 THR CB . 10076 1 1270 . 1 1 106 106 THR CG2 C 13 21.556 0.300 . 1 . . . . 106 THR CG2 . 10076 1 1271 . 1 1 106 106 THR N N 15 115.872 0.300 . 1 . . . . 106 THR N . 10076 1 1272 . 1 1 107 107 ARG H H 1 9.588 0.030 . 1 . . . . 107 ARG H . 10076 1 1273 . 1 1 107 107 ARG HA H 1 3.971 0.030 . 1 . . . . 107 ARG HA . 10076 1 1274 . 1 1 107 107 ARG HB2 H 1 1.974 0.030 . 2 . . . . 107 ARG HB2 . 10076 1 1275 . 1 1 107 107 ARG HB3 H 1 1.789 0.030 . 2 . . . . 107 ARG HB3 . 10076 1 1276 . 1 1 107 107 ARG HG2 H 1 1.763 0.030 . 2 . . . . 107 ARG HG2 . 10076 1 1277 . 1 1 107 107 ARG HG3 H 1 1.506 0.030 . 2 . . . . 107 ARG HG3 . 10076 1 1278 . 1 1 107 107 ARG HD2 H 1 3.194 0.030 . 2 . . . . 107 ARG HD2 . 10076 1 1279 . 1 1 107 107 ARG HD3 H 1 3.147 0.030 . 2 . . . . 107 ARG HD3 . 10076 1 1280 . 1 1 107 107 ARG C C 13 176.674 0.300 . 1 . . . . 107 ARG C . 10076 1 1281 . 1 1 107 107 ARG CA C 13 58.474 0.300 . 1 . . . . 107 ARG CA . 10076 1 1282 . 1 1 107 107 ARG CB C 13 29.051 0.300 . 1 . . . . 107 ARG CB . 10076 1 1283 . 1 1 107 107 ARG CG C 13 26.426 0.300 . 1 . . . . 107 ARG CG . 10076 1 1284 . 1 1 107 107 ARG CD C 13 43.454 0.300 . 1 . . . . 107 ARG CD . 10076 1 1285 . 1 1 107 107 ARG N N 15 119.725 0.300 . 1 . . . . 107 ARG N . 10076 1 1286 . 1 1 108 108 LYS H H 1 7.551 0.030 . 1 . . . . 108 LYS H . 10076 1 1287 . 1 1 108 108 LYS HA H 1 4.181 0.030 . 1 . . . . 108 LYS HA . 10076 1 1288 . 1 1 108 108 LYS HB2 H 1 1.696 0.030 . 2 . . . . 108 LYS HB2 . 10076 1 1289 . 1 1 108 108 LYS HB3 H 1 1.386 0.030 . 2 . . . . 108 LYS HB3 . 10076 1 1290 . 1 1 108 108 LYS HG2 H 1 1.323 0.030 . 1 . . . . 108 LYS HG2 . 10076 1 1291 . 1 1 108 108 LYS HG3 H 1 1.323 0.030 . 1 . . . . 108 LYS HG3 . 10076 1 1292 . 1 1 108 108 LYS HD2 H 1 1.639 0.030 . 1 . . . . 108 LYS HD2 . 10076 1 1293 . 1 1 108 108 LYS HD3 H 1 1.639 0.030 . 1 . . . . 108 LYS HD3 . 10076 1 1294 . 1 1 108 108 LYS HE2 H 1 2.961 0.030 . 1 . . . . 108 LYS HE2 . 10076 1 1295 . 1 1 108 108 LYS HE3 H 1 2.961 0.030 . 1 . . . . 108 LYS HE3 . 10076 1 1296 . 1 1 108 108 LYS C C 13 175.958 0.300 . 1 . . . . 108 LYS C . 10076 1 1297 . 1 1 108 108 LYS CA C 13 55.966 0.300 . 1 . . . . 108 LYS CA . 10076 1 1298 . 1 1 108 108 LYS CB C 13 32.421 0.300 . 1 . . . . 108 LYS CB . 10076 1 1299 . 1 1 108 108 LYS CG C 13 25.101 0.300 . 1 . . . . 108 LYS CG . 10076 1 1300 . 1 1 108 108 LYS CD C 13 28.191 0.300 . 1 . . . . 108 LYS CD . 10076 1 1301 . 1 1 108 108 LYS CE C 13 42.129 0.300 . 1 . . . . 108 LYS CE . 10076 1 1302 . 1 1 108 108 LYS N N 15 116.830 0.300 . 1 . . . . 108 LYS N . 10076 1 1303 . 1 1 109 109 GLY H H 1 7.396 0.030 . 1 . . . . 109 GLY H . 10076 1 1304 . 1 1 109 109 GLY HA2 H 1 4.505 0.030 . 2 . . . . 109 GLY HA2 . 10076 1 1305 . 1 1 109 109 GLY HA3 H 1 3.652 0.030 . 2 . . . . 109 GLY HA3 . 10076 1 1306 . 1 1 109 109 GLY C C 13 172.040 0.300 . 1 . . . . 109 GLY C . 10076 1 1307 . 1 1 109 109 GLY CA C 13 43.930 0.300 . 1 . . . . 109 GLY CA . 10076 1 1308 . 1 1 109 109 GLY N N 15 107.139 0.300 . 1 . . . . 109 GLY N . 10076 1 1309 . 1 1 110 110 TRP H H 1 8.275 0.030 . 1 . . . . 110 TRP H . 10076 1 1310 . 1 1 110 110 TRP HA H 1 4.865 0.030 . 1 . . . . 110 TRP HA . 10076 1 1311 . 1 1 110 110 TRP HB2 H 1 3.274 0.030 . 2 . . . . 110 TRP HB2 . 10076 1 1312 . 1 1 110 110 TRP HB3 H 1 3.036 0.030 . 2 . . . . 110 TRP HB3 . 10076 1 1313 . 1 1 110 110 TRP HD1 H 1 7.326 0.030 . 1 . . . . 110 TRP HD1 . 10076 1 1314 . 1 1 110 110 TRP HE1 H 1 10.098 0.030 . 1 . . . . 110 TRP HE1 . 10076 1 1315 . 1 1 110 110 TRP HE3 H 1 7.233 0.030 . 1 . . . . 110 TRP HE3 . 10076 1 1316 . 1 1 110 110 TRP HZ2 H 1 7.244 0.030 . 1 . . . . 110 TRP HZ2 . 10076 1 1317 . 1 1 110 110 TRP HZ3 H 1 6.722 0.030 . 1 . . . . 110 TRP HZ3 . 10076 1 1318 . 1 1 110 110 TRP HH2 H 1 6.693 0.030 . 1 . . . . 110 TRP HH2 . 10076 1 1319 . 1 1 110 110 TRP C C 13 178.060 0.300 . 1 . . . . 110 TRP C . 10076 1 1320 . 1 1 110 110 TRP CA C 13 57.095 0.300 . 1 . . . . 110 TRP CA . 10076 1 1321 . 1 1 110 110 TRP CB C 13 30.460 0.300 . 1 . . . . 110 TRP CB . 10076 1 1322 . 1 1 110 110 TRP CD1 C 13 127.485 0.300 . 1 . . . . 110 TRP CD1 . 10076 1 1323 . 1 1 110 110 TRP CE3 C 13 120.228 0.300 . 1 . . . . 110 TRP CE3 . 10076 1 1324 . 1 1 110 110 TRP CZ2 C 13 115.105 0.300 . 1 . . . . 110 TRP CZ2 . 10076 1 1325 . 1 1 110 110 TRP CZ3 C 13 123.334 0.300 . 1 . . . . 110 TRP CZ3 . 10076 1 1326 . 1 1 110 110 TRP CH2 C 13 124.212 0.300 . 1 . . . . 110 TRP CH2 . 10076 1 1327 . 1 1 110 110 TRP N N 15 119.836 0.300 . 1 . . . . 110 TRP N . 10076 1 1328 . 1 1 110 110 TRP NE1 N 15 129.717 0.300 . 1 . . . . 110 TRP NE1 . 10076 1 1329 . 1 1 111 111 GLY H H 1 8.895 0.030 . 1 . . . . 111 GLY H . 10076 1 1330 . 1 1 111 111 GLY HA2 H 1 4.349 0.030 . 1 . . . . 111 GLY HA2 . 10076 1 1331 . 1 1 111 111 GLY HA3 H 1 4.349 0.030 . 1 . . . . 111 GLY HA3 . 10076 1 1332 . 1 1 111 111 GLY C C 13 173.029 0.300 . 1 . . . . 111 GLY C . 10076 1 1333 . 1 1 111 111 GLY CA C 13 44.245 0.300 . 1 . . . . 111 GLY CA . 10076 1 1334 . 1 1 111 111 GLY N N 15 109.061 0.300 . 1 . . . . 111 GLY N . 10076 1 1335 . 1 1 112 112 GLU H H 1 7.590 0.030 . 1 . . . . 112 GLU H . 10076 1 1336 . 1 1 112 112 GLU HA H 1 4.184 0.030 . 1 . . . . 112 GLU HA . 10076 1 1337 . 1 1 112 112 GLU HB2 H 1 1.907 0.030 . 2 . . . . 112 GLU HB2 . 10076 1 1338 . 1 1 112 112 GLU HB3 H 1 1.814 0.030 . 2 . . . . 112 GLU HB3 . 10076 1 1339 . 1 1 112 112 GLU HG2 H 1 2.432 0.030 . 2 . . . . 112 GLU HG2 . 10076 1 1340 . 1 1 112 112 GLU HG3 H 1 2.323 0.030 . 2 . . . . 112 GLU HG3 . 10076 1 1341 . 1 1 112 112 GLU C C 13 176.650 0.300 . 1 . . . . 112 GLU C . 10076 1 1342 . 1 1 112 112 GLU CA C 13 56.059 0.300 . 1 . . . . 112 GLU CA . 10076 1 1343 . 1 1 112 112 GLU CB C 13 31.593 0.300 . 1 . . . . 112 GLU CB . 10076 1 1344 . 1 1 112 112 GLU CG C 13 36.487 0.300 . 1 . . . . 112 GLU CG . 10076 1 1345 . 1 1 112 112 GLU N N 15 119.263 0.300 . 1 . . . . 112 GLU N . 10076 1 1346 . 1 1 113 113 ALA H H 1 8.639 0.030 . 1 . . . . 113 ALA H . 10076 1 1347 . 1 1 113 113 ALA HA H 1 4.837 0.030 . 1 . . . . 113 ALA HA . 10076 1 1348 . 1 1 113 113 ALA HB1 H 1 1.199 0.030 . 1 . . . . 113 ALA HB . 10076 1 1349 . 1 1 113 113 ALA HB2 H 1 1.199 0.030 . 1 . . . . 113 ALA HB . 10076 1 1350 . 1 1 113 113 ALA HB3 H 1 1.199 0.030 . 1 . . . . 113 ALA HB . 10076 1 1351 . 1 1 113 113 ALA C C 13 178.984 0.300 . 1 . . . . 113 ALA C . 10076 1 1352 . 1 1 113 113 ALA CA C 13 51.802 0.300 . 1 . . . . 113 ALA CA . 10076 1 1353 . 1 1 113 113 ALA CB C 13 19.906 0.300 . 1 . . . . 113 ALA CB . 10076 1 1354 . 1 1 113 113 ALA N N 15 125.994 0.300 . 1 . . . . 113 ALA N . 10076 1 1355 . 1 1 114 114 ALA H H 1 8.913 0.030 . 1 . . . . 114 ALA H . 10076 1 1356 . 1 1 114 114 ALA HA H 1 4.743 0.030 . 1 . . . . 114 ALA HA . 10076 1 1357 . 1 1 114 114 ALA HB1 H 1 1.456 0.030 . 1 . . . . 114 ALA HB . 10076 1 1358 . 1 1 114 114 ALA HB2 H 1 1.456 0.030 . 1 . . . . 114 ALA HB . 10076 1 1359 . 1 1 114 114 ALA HB3 H 1 1.456 0.030 . 1 . . . . 114 ALA HB . 10076 1 1360 . 1 1 114 114 ALA C C 13 176.084 0.300 . 1 . . . . 114 ALA C . 10076 1 1361 . 1 1 114 114 ALA CA C 13 51.427 0.300 . 1 . . . . 114 ALA CA . 10076 1 1362 . 1 1 114 114 ALA CB C 13 21.646 0.300 . 1 . . . . 114 ALA CB . 10076 1 1363 . 1 1 114 114 ALA N N 15 124.602 0.300 . 1 . . . . 114 ALA N . 10076 1 1364 . 1 1 115 115 GLU H H 1 8.627 0.030 . 1 . . . . 115 GLU H . 10076 1 1365 . 1 1 115 115 GLU HA H 1 5.656 0.030 . 1 . . . . 115 GLU HA . 10076 1 1366 . 1 1 115 115 GLU HB2 H 1 1.950 0.030 . 1 . . . . 115 GLU HB2 . 10076 1 1367 . 1 1 115 115 GLU HB3 H 1 1.950 0.030 . 1 . . . . 115 GLU HB3 . 10076 1 1368 . 1 1 115 115 GLU HG2 H 1 2.208 0.030 . 2 . . . . 115 GLU HG2 . 10076 1 1369 . 1 1 115 115 GLU HG3 H 1 2.081 0.030 . 2 . . . . 115 GLU HG3 . 10076 1 1370 . 1 1 115 115 GLU C C 13 175.809 0.300 . 1 . . . . 115 GLU C . 10076 1 1371 . 1 1 115 115 GLU CA C 13 54.408 0.300 . 1 . . . . 115 GLU CA . 10076 1 1372 . 1 1 115 115 GLU CB C 13 34.218 0.300 . 1 . . . . 115 GLU CB . 10076 1 1373 . 1 1 115 115 GLU CG C 13 37.210 0.300 . 1 . . . . 115 GLU CG . 10076 1 1374 . 1 1 115 115 GLU N N 15 119.789 0.300 . 1 . . . . 115 GLU N . 10076 1 1375 . 1 1 116 116 ALA H H 1 9.220 0.030 . 1 . . . . 116 ALA H . 10076 1 1376 . 1 1 116 116 ALA HA H 1 4.745 0.030 . 1 . . . . 116 ALA HA . 10076 1 1377 . 1 1 116 116 ALA HB1 H 1 1.553 0.030 . 1 . . . . 116 ALA HB . 10076 1 1378 . 1 1 116 116 ALA HB2 H 1 1.553 0.030 . 1 . . . . 116 ALA HB . 10076 1 1379 . 1 1 116 116 ALA HB3 H 1 1.553 0.030 . 1 . . . . 116 ALA HB . 10076 1 1380 . 1 1 116 116 ALA C C 13 174.642 0.300 . 1 . . . . 116 ALA C . 10076 1 1381 . 1 1 116 116 ALA CA C 13 52.130 0.300 . 1 . . . . 116 ALA CA . 10076 1 1382 . 1 1 116 116 ALA CB C 13 23.830 0.300 . 1 . . . . 116 ALA CB . 10076 1 1383 . 1 1 116 116 ALA N N 15 124.425 0.300 . 1 . . . . 116 ALA N . 10076 1 1384 . 1 1 117 117 LEU H H 1 8.411 0.030 . 1 . . . . 117 LEU H . 10076 1 1385 . 1 1 117 117 LEU HA H 1 5.690 0.030 . 1 . . . . 117 LEU HA . 10076 1 1386 . 1 1 117 117 LEU HB2 H 1 1.710 0.030 . 2 . . . . 117 LEU HB2 . 10076 1 1387 . 1 1 117 117 LEU HB3 H 1 1.284 0.030 . 2 . . . . 117 LEU HB3 . 10076 1 1388 . 1 1 117 117 LEU HG H 1 1.665 0.030 . 1 . . . . 117 LEU HG . 10076 1 1389 . 1 1 117 117 LEU HD11 H 1 0.854 0.030 . 1 . . . . 117 LEU HD1 . 10076 1 1390 . 1 1 117 117 LEU HD12 H 1 0.854 0.030 . 1 . . . . 117 LEU HD1 . 10076 1 1391 . 1 1 117 117 LEU HD13 H 1 0.854 0.030 . 1 . . . . 117 LEU HD1 . 10076 1 1392 . 1 1 117 117 LEU HD21 H 1 0.804 0.030 . 1 . . . . 117 LEU HD2 . 10076 1 1393 . 1 1 117 117 LEU HD22 H 1 0.804 0.030 . 1 . . . . 117 LEU HD2 . 10076 1 1394 . 1 1 117 117 LEU HD23 H 1 0.804 0.030 . 1 . . . . 117 LEU HD2 . 10076 1 1395 . 1 1 117 117 LEU C C 13 176.376 0.300 . 1 . . . . 117 LEU C . 10076 1 1396 . 1 1 117 117 LEU CA C 13 53.636 0.300 . 1 . . . . 117 LEU CA . 10076 1 1397 . 1 1 117 117 LEU CB C 13 44.965 0.300 . 1 . . . . 117 LEU CB . 10076 1 1398 . 1 1 117 117 LEU CG C 13 27.092 0.300 . 1 . . . . 117 LEU CG . 10076 1 1399 . 1 1 117 117 LEU CD1 C 13 25.669 0.300 . 2 . . . . 117 LEU CD1 . 10076 1 1400 . 1 1 117 117 LEU CD2 C 13 24.470 0.300 . 2 . . . . 117 LEU CD2 . 10076 1 1401 . 1 1 117 117 LEU N N 15 121.390 0.300 . 1 . . . . 117 LEU N . 10076 1 1402 . 1 1 118 118 VAL H H 1 9.024 0.030 . 1 . . . . 118 VAL H . 10076 1 1403 . 1 1 118 118 VAL HA H 1 4.259 0.030 . 1 . . . . 118 VAL HA . 10076 1 1404 . 1 1 118 118 VAL HB H 1 0.744 0.030 . 1 . . . . 118 VAL HB . 10076 1 1405 . 1 1 118 118 VAL HG11 H 1 0.377 0.030 . 1 . . . . 118 VAL HG1 . 10076 1 1406 . 1 1 118 118 VAL HG12 H 1 0.377 0.030 . 1 . . . . 118 VAL HG1 . 10076 1 1407 . 1 1 118 118 VAL HG13 H 1 0.377 0.030 . 1 . . . . 118 VAL HG1 . 10076 1 1408 . 1 1 118 118 VAL HG21 H 1 0.515 0.030 . 1 . . . . 118 VAL HG2 . 10076 1 1409 . 1 1 118 118 VAL HG22 H 1 0.515 0.030 . 1 . . . . 118 VAL HG2 . 10076 1 1410 . 1 1 118 118 VAL HG23 H 1 0.515 0.030 . 1 . . . . 118 VAL HG2 . 10076 1 1411 . 1 1 118 118 VAL C C 13 171.034 0.300 . 1 . . . . 118 VAL C . 10076 1 1412 . 1 1 118 118 VAL CA C 13 59.964 0.300 . 1 . . . . 118 VAL CA . 10076 1 1413 . 1 1 118 118 VAL CB C 13 34.660 0.300 . 1 . . . . 118 VAL CB . 10076 1 1414 . 1 1 118 118 VAL CG1 C 13 22.366 0.300 . 2 . . . . 118 VAL CG1 . 10076 1 1415 . 1 1 118 118 VAL CG2 C 13 20.607 0.300 . 2 . . . . 118 VAL CG2 . 10076 1 1416 . 1 1 118 118 VAL N N 15 121.483 0.300 . 1 . . . . 118 VAL N . 10076 1 1417 . 1 1 119 119 VAL H H 1 7.739 0.030 . 1 . . . . 119 VAL H . 10076 1 1418 . 1 1 119 119 VAL HA H 1 5.303 0.030 . 1 . . . . 119 VAL HA . 10076 1 1419 . 1 1 119 119 VAL HB H 1 1.853 0.030 . 1 . . . . 119 VAL HB . 10076 1 1420 . 1 1 119 119 VAL HG11 H 1 0.902 0.030 . 1 . . . . 119 VAL HG1 . 10076 1 1421 . 1 1 119 119 VAL HG12 H 1 0.902 0.030 . 1 . . . . 119 VAL HG1 . 10076 1 1422 . 1 1 119 119 VAL HG13 H 1 0.902 0.030 . 1 . . . . 119 VAL HG1 . 10076 1 1423 . 1 1 119 119 VAL HG21 H 1 0.778 0.030 . 1 . . . . 119 VAL HG2 . 10076 1 1424 . 1 1 119 119 VAL HG22 H 1 0.778 0.030 . 1 . . . . 119 VAL HG2 . 10076 1 1425 . 1 1 119 119 VAL HG23 H 1 0.778 0.030 . 1 . . . . 119 VAL HG2 . 10076 1 1426 . 1 1 119 119 VAL C C 13 177.632 0.300 . 1 . . . . 119 VAL C . 10076 1 1427 . 1 1 119 119 VAL CA C 13 59.346 0.300 . 1 . . . . 119 VAL CA . 10076 1 1428 . 1 1 119 119 VAL CB C 13 33.388 0.300 . 1 . . . . 119 VAL CB . 10076 1 1429 . 1 1 119 119 VAL CG1 C 13 21.545 0.300 . 2 . . . . 119 VAL CG1 . 10076 1 1430 . 1 1 119 119 VAL CG2 C 13 20.497 0.300 . 2 . . . . 119 VAL CG2 . 10076 1 1431 . 1 1 119 119 VAL N N 15 126.042 0.300 . 1 . . . . 119 VAL N . 10076 1 1432 . 1 1 120 120 THR H H 1 9.072 0.030 . 1 . . . . 120 THR H . 10076 1 1433 . 1 1 120 120 THR HA H 1 4.104 0.030 . 1 . . . . 120 THR HA . 10076 1 1434 . 1 1 120 120 THR HB H 1 4.941 0.030 . 1 . . . . 120 THR HB . 10076 1 1435 . 1 1 120 120 THR HG21 H 1 0.971 0.030 . 1 . . . . 120 THR HG2 . 10076 1 1436 . 1 1 120 120 THR HG22 H 1 0.971 0.030 . 1 . . . . 120 THR HG2 . 10076 1 1437 . 1 1 120 120 THR HG23 H 1 0.971 0.030 . 1 . . . . 120 THR HG2 . 10076 1 1438 . 1 1 120 120 THR C C 13 175.042 0.300 . 1 . . . . 120 THR C . 10076 1 1439 . 1 1 120 120 THR CA C 13 60.264 0.300 . 1 . . . . 120 THR CA . 10076 1 1440 . 1 1 120 120 THR CB C 13 67.232 0.300 . 1 . . . . 120 THR CB . 10076 1 1441 . 1 1 120 120 THR CG2 C 13 24.407 0.300 . 1 . . . . 120 THR CG2 . 10076 1 1442 . 1 1 120 120 THR N N 15 117.678 0.300 . 1 . . . . 120 THR N . 10076 1 1443 . 1 1 121 121 THR H H 1 7.633 0.030 . 1 . . . . 121 THR H . 10076 1 1444 . 1 1 121 121 THR HA H 1 4.484 0.030 . 1 . . . . 121 THR HA . 10076 1 1445 . 1 1 121 121 THR HB H 1 3.990 0.030 . 1 . . . . 121 THR HB . 10076 1 1446 . 1 1 121 121 THR HG21 H 1 1.087 0.030 . 1 . . . . 121 THR HG2 . 10076 1 1447 . 1 1 121 121 THR HG22 H 1 1.087 0.030 . 1 . . . . 121 THR HG2 . 10076 1 1448 . 1 1 121 121 THR HG23 H 1 1.087 0.030 . 1 . . . . 121 THR HG2 . 10076 1 1449 . 1 1 121 121 THR C C 13 172.999 0.300 . 1 . . . . 121 THR C . 10076 1 1450 . 1 1 121 121 THR CA C 13 60.657 0.300 . 1 . . . . 121 THR CA . 10076 1 1451 . 1 1 121 121 THR CB C 13 70.244 0.300 . 1 . . . . 121 THR CB . 10076 1 1452 . 1 1 121 121 THR CG2 C 13 20.766 0.300 . 1 . . . . 121 THR CG2 . 10076 1 1453 . 1 1 121 121 THR N N 15 116.255 0.300 . 1 . . . . 121 THR N . 10076 1 1454 . 1 1 122 122 GLU H H 1 8.690 0.030 . 1 . . . . 122 GLU H . 10076 1 1455 . 1 1 122 122 GLU HA H 1 4.397 0.030 . 1 . . . . 122 GLU HA . 10076 1 1456 . 1 1 122 122 GLU HB2 H 1 2.112 0.030 . 2 . . . . 122 GLU HB2 . 10076 1 1457 . 1 1 122 122 GLU HB3 H 1 1.920 0.030 . 2 . . . . 122 GLU HB3 . 10076 1 1458 . 1 1 122 122 GLU HG2 H 1 2.322 0.030 . 2 . . . . 122 GLU HG2 . 10076 1 1459 . 1 1 122 122 GLU HG3 H 1 2.271 0.030 . 2 . . . . 122 GLU HG3 . 10076 1 1460 . 1 1 122 122 GLU C C 13 176.421 0.300 . 1 . . . . 122 GLU C . 10076 1 1461 . 1 1 122 122 GLU CA C 13 55.985 0.300 . 1 . . . . 122 GLU CA . 10076 1 1462 . 1 1 122 122 GLU CB C 13 30.874 0.300 . 1 . . . . 122 GLU CB . 10076 1 1463 . 1 1 122 122 GLU CG C 13 36.646 0.300 . 1 . . . . 122 GLU CG . 10076 1 1464 . 1 1 122 122 GLU N N 15 121.788 0.300 . 1 . . . . 122 GLU N . 10076 1 1465 . 1 1 123 123 LYS H H 1 8.631 0.030 . 1 . . . . 123 LYS H . 10076 1 1466 . 1 1 123 123 LYS HA H 1 4.287 0.030 . 1 . . . . 123 LYS HA . 10076 1 1467 . 1 1 123 123 LYS HB2 H 1 1.842 0.030 . 2 . . . . 123 LYS HB2 . 10076 1 1468 . 1 1 123 123 LYS HB3 H 1 1.740 0.030 . 2 . . . . 123 LYS HB3 . 10076 1 1469 . 1 1 123 123 LYS HG2 H 1 1.465 0.030 . 2 . . . . 123 LYS HG2 . 10076 1 1470 . 1 1 123 123 LYS HG3 H 1 1.422 0.030 . 2 . . . . 123 LYS HG3 . 10076 1 1471 . 1 1 123 123 LYS HD2 H 1 1.695 0.030 . 1 . . . . 123 LYS HD2 . 10076 1 1472 . 1 1 123 123 LYS HD3 H 1 1.695 0.030 . 1 . . . . 123 LYS HD3 . 10076 1 1473 . 1 1 123 123 LYS HE2 H 1 3.004 0.030 . 1 . . . . 123 LYS HE2 . 10076 1 1474 . 1 1 123 123 LYS HE3 H 1 3.004 0.030 . 1 . . . . 123 LYS HE3 . 10076 1 1475 . 1 1 123 123 LYS C C 13 176.415 0.300 . 1 . . . . 123 LYS C . 10076 1 1476 . 1 1 123 123 LYS CA C 13 56.755 0.300 . 1 . . . . 123 LYS CA . 10076 1 1477 . 1 1 123 123 LYS CB C 13 33.029 0.300 . 1 . . . . 123 LYS CB . 10076 1 1478 . 1 1 123 123 LYS CG C 13 24.786 0.300 . 1 . . . . 123 LYS CG . 10076 1 1479 . 1 1 123 123 LYS CD C 13 29.327 0.300 . 1 . . . . 123 LYS CD . 10076 1 1480 . 1 1 123 123 LYS CE C 13 42.129 0.300 . 1 . . . . 123 LYS CE . 10076 1 1481 . 1 1 123 123 LYS N N 15 123.785 0.300 . 1 . . . . 123 LYS N . 10076 1 1482 . 1 1 124 124 ARG H H 1 8.576 0.030 . 1 . . . . 124 ARG H . 10076 1 1483 . 1 1 124 124 ARG HA H 1 4.466 0.030 . 1 . . . . 124 ARG HA . 10076 1 1484 . 1 1 124 124 ARG HB2 H 1 1.915 0.030 . 2 . . . . 124 ARG HB2 . 10076 1 1485 . 1 1 124 124 ARG HB3 H 1 1.790 0.030 . 2 . . . . 124 ARG HB3 . 10076 1 1486 . 1 1 124 124 ARG HG2 H 1 1.678 0.030 . 2 . . . . 124 ARG HG2 . 10076 1 1487 . 1 1 124 124 ARG HG3 H 1 1.642 0.030 . 2 . . . . 124 ARG HG3 . 10076 1 1488 . 1 1 124 124 ARG HD2 H 1 3.224 0.030 . 1 . . . . 124 ARG HD2 . 10076 1 1489 . 1 1 124 124 ARG HD3 H 1 3.224 0.030 . 1 . . . . 124 ARG HD3 . 10076 1 1490 . 1 1 124 124 ARG C C 13 176.257 0.300 . 1 . . . . 124 ARG C . 10076 1 1491 . 1 1 124 124 ARG CA C 13 55.784 0.300 . 1 . . . . 124 ARG CA . 10076 1 1492 . 1 1 124 124 ARG CB C 13 31.206 0.300 . 1 . . . . 124 ARG CB . 10076 1 1493 . 1 1 124 124 ARG CG C 13 27.130 0.300 . 1 . . . . 124 ARG CG . 10076 1 1494 . 1 1 124 124 ARG CD C 13 43.328 0.300 . 1 . . . . 124 ARG CD . 10076 1 1495 . 1 1 124 124 ARG N N 15 124.118 0.300 . 1 . . . . 124 ARG N . 10076 1 1496 . 1 1 125 125 SER H H 1 8.476 0.030 . 1 . . . . 125 SER H . 10076 1 1497 . 1 1 125 125 SER HA H 1 4.530 0.030 . 1 . . . . 125 SER HA . 10076 1 1498 . 1 1 125 125 SER HB2 H 1 3.893 0.030 . 1 . . . . 125 SER HB2 . 10076 1 1499 . 1 1 125 125 SER HB3 H 1 3.893 0.030 . 1 . . . . 125 SER HB3 . 10076 1 1500 . 1 1 125 125 SER C C 13 174.498 0.300 . 1 . . . . 125 SER C . 10076 1 1501 . 1 1 125 125 SER CA C 13 58.261 0.300 . 1 . . . . 125 SER CA . 10076 1 1502 . 1 1 125 125 SER CB C 13 64.138 0.300 . 1 . . . . 125 SER CB . 10076 1 1503 . 1 1 125 125 SER N N 15 117.654 0.300 . 1 . . . . 125 SER N . 10076 1 1504 . 1 1 126 126 GLY H H 1 8.330 0.030 . 1 . . . . 126 GLY H . 10076 1 1505 . 1 1 126 126 GLY HA2 H 1 4.160 0.030 . 1 . . . . 126 GLY HA2 . 10076 1 1506 . 1 1 126 126 GLY HA3 H 1 4.160 0.030 . 1 . . . . 126 GLY HA3 . 10076 1 1507 . 1 1 126 126 GLY C C 13 171.834 0.300 . 1 . . . . 126 GLY C . 10076 1 1508 . 1 1 126 126 GLY CA C 13 44.725 0.300 . 1 . . . . 126 GLY CA . 10076 1 1509 . 1 1 126 126 GLY N N 15 110.804 0.300 . 1 . . . . 126 GLY N . 10076 1 1510 . 1 1 127 127 PRO HA H 1 4.515 0.030 . 1 . . . . 127 PRO HA . 10076 1 1511 . 1 1 127 127 PRO HB2 H 1 2.322 0.030 . 2 . . . . 127 PRO HB2 . 10076 1 1512 . 1 1 127 127 PRO HB3 H 1 2.011 0.030 . 2 . . . . 127 PRO HB3 . 10076 1 1513 . 1 1 127 127 PRO HG2 H 1 2.042 0.030 . 1 . . . . 127 PRO HG2 . 10076 1 1514 . 1 1 127 127 PRO HG3 H 1 2.042 0.030 . 1 . . . . 127 PRO HG3 . 10076 1 1515 . 1 1 127 127 PRO HD2 H 1 3.658 0.030 . 1 . . . . 127 PRO HD2 . 10076 1 1516 . 1 1 127 127 PRO HD3 H 1 3.658 0.030 . 1 . . . . 127 PRO HD3 . 10076 1 1517 . 1 1 127 127 PRO C C 13 177.389 0.300 . 1 . . . . 127 PRO C . 10076 1 1518 . 1 1 127 127 PRO CA C 13 63.312 0.300 . 1 . . . . 127 PRO CA . 10076 1 1519 . 1 1 127 127 PRO CB C 13 32.363 0.300 . 1 . . . . 127 PRO CB . 10076 1 1520 . 1 1 127 127 PRO CG C 13 27.182 0.300 . 1 . . . . 127 PRO CG . 10076 1 1521 . 1 1 127 127 PRO CD C 13 49.887 0.300 . 1 . . . . 127 PRO CD . 10076 1 1522 . 1 1 128 128 SER H H 1 8.586 0.030 . 1 . . . . 128 SER H . 10076 1 1523 . 1 1 128 128 SER C C 13 174.652 0.300 . 1 . . . . 128 SER C . 10076 1 1524 . 1 1 128 128 SER CA C 13 58.449 0.300 . 1 . . . . 128 SER CA . 10076 1 1525 . 1 1 128 128 SER CB C 13 63.828 0.300 . 1 . . . . 128 SER CB . 10076 1 1526 . 1 1 128 128 SER N N 15 116.481 0.300 . 1 . . . . 128 SER N . 10076 1 1527 . 1 1 129 129 SER C C 13 173.912 0.300 . 1 . . . . 129 SER C . 10076 1 1528 . 1 1 129 129 SER CA C 13 58.412 0.300 . 1 . . . . 129 SER CA . 10076 1 1529 . 1 1 129 129 SER CB C 13 64.062 0.300 . 1 . . . . 129 SER CB . 10076 1 1530 . 1 1 130 130 GLY H H 1 8.089 0.030 . 1 . . . . 130 GLY H . 10076 1 1531 . 1 1 130 130 GLY HA2 H 1 3.815 0.030 . 2 . . . . 130 GLY HA2 . 10076 1 1532 . 1 1 130 130 GLY HA3 H 1 3.767 0.030 . 2 . . . . 130 GLY HA3 . 10076 1 1533 . 1 1 130 130 GLY C C 13 179.034 0.300 . 1 . . . . 130 GLY C . 10076 1 1534 . 1 1 130 130 GLY CA C 13 46.275 0.300 . 1 . . . . 130 GLY CA . 10076 1 1535 . 1 1 130 130 GLY N N 15 116.896 0.300 . 1 . . . . 130 GLY N . 10076 1 stop_ save_