data_25398 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25398 _Entry.Title ; NMR structure of N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 5.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-17 _Entry.Accession_date 2014-12-17 _Entry.Last_release_date 2015-08-17 _Entry.Original_release_date 2015-08-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Martins Otikovs . . . 25398 2 Kristaps Jaudzems . . . 25398 3 Gefei Chen . . . 25398 4 Kerstin Nordling . . . 25398 5 Anna Rising . . . 25398 6 Jan Johansson . . . 25398 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25398 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'STRUCTURAL PROTEIN' . 25398 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25398 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 469 25398 '15N chemical shifts' 145 25398 '1H chemical shifts' 878 25398 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 . . 2015-08-17 . original BMRB . 25398 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25397 'N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 7.2' 25398 PDB 2MX9 'BMRB Entry Tracking System' 25398 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25398 _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 ; NMR structure of N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 5.5 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _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 Martins Otikovs . . . 25398 1 2 Kristaps Jaudzems . . . 25398 1 3 Gefei Chen . . . 25398 1 4 Kerstin Nordling . . . 25398 1 5 Anna Rising . . . 25398 1 6 Jan Johansson . . . 25398 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25398 _Assembly.ID 1 _Assembly.Name 'N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 5.5' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity A . yes native no no . . . 25398 1 2 entity_2 1 $entity B . yes native no no . . . 25398 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . 25398 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25398 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGNSQPIWTNPNAAMTMTN NLVQCASRSGVLTADQMDDM GMMADSVNSQMQKMGPNPPQ HRLRAMNTAMAAEVAEVVAT SPPQSYSAVLNTIGACLRES MMQATGSVDNAFTNEVMQLV KMLSADSANEVST ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 are from a non-native affinity tag' _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14067.897 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 25397 . entity . . . . . 100.00 133 100.00 100.00 9.35e-90 . . . . 25398 1 2 no PDB 2MX8 . "Nmr Structure Of N-terminal Domain From A. Ventricosus Minor Ampullate Spidroin (misp) At Ph 7.2" . . . . . 100.00 133 100.00 100.00 9.35e-90 . . . . 25398 1 3 no PDB 2MX9 . "Nmr Structure Of N-terminal Domain From A. Ventricosus Minor Ampullate Spidroin (misp) At Ph 5.5" . . . . . 100.00 133 100.00 100.00 9.35e-90 . . . . 25398 1 4 no GB AFV31615 . "minor ampullate spidroin [Araneus ventricosus]" . . . . . 96.99 1766 100.00 100.00 1.79e-96 . . . . 25398 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 . 25398 1 2 . SER . 25398 1 3 . GLY . 25398 1 4 . ASN . 25398 1 5 . SER . 25398 1 6 . GLN . 25398 1 7 . PRO . 25398 1 8 . ILE . 25398 1 9 . TRP . 25398 1 10 . THR . 25398 1 11 . ASN . 25398 1 12 . PRO . 25398 1 13 . ASN . 25398 1 14 . ALA . 25398 1 15 . ALA . 25398 1 16 . MET . 25398 1 17 . THR . 25398 1 18 . MET . 25398 1 19 . THR . 25398 1 20 . ASN . 25398 1 21 . ASN . 25398 1 22 . LEU . 25398 1 23 . VAL . 25398 1 24 . GLN . 25398 1 25 . CYS . 25398 1 26 . ALA . 25398 1 27 . SER . 25398 1 28 . ARG . 25398 1 29 . SER . 25398 1 30 . GLY . 25398 1 31 . VAL . 25398 1 32 . LEU . 25398 1 33 . THR . 25398 1 34 . ALA . 25398 1 35 . ASP . 25398 1 36 . GLN . 25398 1 37 . MET . 25398 1 38 . ASP . 25398 1 39 . ASP . 25398 1 40 . MET . 25398 1 41 . GLY . 25398 1 42 . MET . 25398 1 43 . MET . 25398 1 44 . ALA . 25398 1 45 . ASP . 25398 1 46 . SER . 25398 1 47 . VAL . 25398 1 48 . ASN . 25398 1 49 . SER . 25398 1 50 . GLN . 25398 1 51 . MET . 25398 1 52 . GLN . 25398 1 53 . LYS . 25398 1 54 . MET . 25398 1 55 . GLY . 25398 1 56 . PRO . 25398 1 57 . ASN . 25398 1 58 . PRO . 25398 1 59 . PRO . 25398 1 60 . GLN . 25398 1 61 . HIS . 25398 1 62 . ARG . 25398 1 63 . LEU . 25398 1 64 . ARG . 25398 1 65 . ALA . 25398 1 66 . MET . 25398 1 67 . ASN . 25398 1 68 . THR . 25398 1 69 . ALA . 25398 1 70 . MET . 25398 1 71 . ALA . 25398 1 72 . ALA . 25398 1 73 . GLU . 25398 1 74 . VAL . 25398 1 75 . ALA . 25398 1 76 . GLU . 25398 1 77 . VAL . 25398 1 78 . VAL . 25398 1 79 . ALA . 25398 1 80 . THR . 25398 1 81 . SER . 25398 1 82 . PRO . 25398 1 83 . PRO . 25398 1 84 . GLN . 25398 1 85 . SER . 25398 1 86 . TYR . 25398 1 87 . SER . 25398 1 88 . ALA . 25398 1 89 . VAL . 25398 1 90 . LEU . 25398 1 91 . ASN . 25398 1 92 . THR . 25398 1 93 . ILE . 25398 1 94 . GLY . 25398 1 95 . ALA . 25398 1 96 . CYS . 25398 1 97 . LEU . 25398 1 98 . ARG . 25398 1 99 . GLU . 25398 1 100 . SER . 25398 1 101 . MET . 25398 1 102 . MET . 25398 1 103 . GLN . 25398 1 104 . ALA . 25398 1 105 . THR . 25398 1 106 . GLY . 25398 1 107 . SER . 25398 1 108 . VAL . 25398 1 109 . ASP . 25398 1 110 . ASN . 25398 1 111 . ALA . 25398 1 112 . PHE . 25398 1 113 . THR . 25398 1 114 . ASN . 25398 1 115 . GLU . 25398 1 116 . VAL . 25398 1 117 . MET . 25398 1 118 . GLN . 25398 1 119 . LEU . 25398 1 120 . VAL . 25398 1 121 . LYS . 25398 1 122 . MET . 25398 1 123 . LEU . 25398 1 124 . SER . 25398 1 125 . ALA . 25398 1 126 . ASP . 25398 1 127 . SER . 25398 1 128 . ALA . 25398 1 129 . ASN . 25398 1 130 . GLU . 25398 1 131 . VAL . 25398 1 132 . SER . 25398 1 133 . THR . 25398 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 25398 1 . SER 2 2 25398 1 . GLY 3 3 25398 1 . ASN 4 4 25398 1 . SER 5 5 25398 1 . GLN 6 6 25398 1 . PRO 7 7 25398 1 . ILE 8 8 25398 1 . TRP 9 9 25398 1 . THR 10 10 25398 1 . ASN 11 11 25398 1 . PRO 12 12 25398 1 . ASN 13 13 25398 1 . ALA 14 14 25398 1 . ALA 15 15 25398 1 . MET 16 16 25398 1 . THR 17 17 25398 1 . MET 18 18 25398 1 . THR 19 19 25398 1 . ASN 20 20 25398 1 . ASN 21 21 25398 1 . LEU 22 22 25398 1 . VAL 23 23 25398 1 . GLN 24 24 25398 1 . CYS 25 25 25398 1 . ALA 26 26 25398 1 . SER 27 27 25398 1 . ARG 28 28 25398 1 . SER 29 29 25398 1 . GLY 30 30 25398 1 . VAL 31 31 25398 1 . LEU 32 32 25398 1 . THR 33 33 25398 1 . ALA 34 34 25398 1 . ASP 35 35 25398 1 . GLN 36 36 25398 1 . MET 37 37 25398 1 . ASP 38 38 25398 1 . ASP 39 39 25398 1 . MET 40 40 25398 1 . GLY 41 41 25398 1 . MET 42 42 25398 1 . MET 43 43 25398 1 . ALA 44 44 25398 1 . ASP 45 45 25398 1 . SER 46 46 25398 1 . VAL 47 47 25398 1 . ASN 48 48 25398 1 . SER 49 49 25398 1 . GLN 50 50 25398 1 . MET 51 51 25398 1 . GLN 52 52 25398 1 . LYS 53 53 25398 1 . MET 54 54 25398 1 . GLY 55 55 25398 1 . PRO 56 56 25398 1 . ASN 57 57 25398 1 . PRO 58 58 25398 1 . PRO 59 59 25398 1 . GLN 60 60 25398 1 . HIS 61 61 25398 1 . ARG 62 62 25398 1 . LEU 63 63 25398 1 . ARG 64 64 25398 1 . ALA 65 65 25398 1 . MET 66 66 25398 1 . ASN 67 67 25398 1 . THR 68 68 25398 1 . ALA 69 69 25398 1 . MET 70 70 25398 1 . ALA 71 71 25398 1 . ALA 72 72 25398 1 . GLU 73 73 25398 1 . VAL 74 74 25398 1 . ALA 75 75 25398 1 . GLU 76 76 25398 1 . VAL 77 77 25398 1 . VAL 78 78 25398 1 . ALA 79 79 25398 1 . THR 80 80 25398 1 . SER 81 81 25398 1 . PRO 82 82 25398 1 . PRO 83 83 25398 1 . GLN 84 84 25398 1 . SER 85 85 25398 1 . TYR 86 86 25398 1 . SER 87 87 25398 1 . ALA 88 88 25398 1 . VAL 89 89 25398 1 . LEU 90 90 25398 1 . ASN 91 91 25398 1 . THR 92 92 25398 1 . ILE 93 93 25398 1 . GLY 94 94 25398 1 . ALA 95 95 25398 1 . CYS 96 96 25398 1 . LEU 97 97 25398 1 . ARG 98 98 25398 1 . GLU 99 99 25398 1 . SER 100 100 25398 1 . MET 101 101 25398 1 . MET 102 102 25398 1 . GLN 103 103 25398 1 . ALA 104 104 25398 1 . THR 105 105 25398 1 . GLY 106 106 25398 1 . SER 107 107 25398 1 . VAL 108 108 25398 1 . ASP 109 109 25398 1 . ASN 110 110 25398 1 . ALA 111 111 25398 1 . PHE 112 112 25398 1 . THR 113 113 25398 1 . ASN 114 114 25398 1 . GLU 115 115 25398 1 . VAL 116 116 25398 1 . MET 117 117 25398 1 . GLN 118 118 25398 1 . LEU 119 119 25398 1 . VAL 120 120 25398 1 . LYS 121 121 25398 1 . MET 122 122 25398 1 . LEU 123 123 25398 1 . SER 124 124 25398 1 . ALA 125 125 25398 1 . ASP 126 126 25398 1 . SER 127 127 25398 1 . ALA 128 128 25398 1 . ASN 129 129 25398 1 . GLU 130 130 25398 1 . VAL 131 131 25398 1 . SER 132 132 25398 1 . THR 133 133 25398 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 25398 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 182803 organism . 'Araneus ventricosus' spiders . . Eukaryota Metazoa Araneus ventricosus . . . . . . . . . . . . . 25398 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 25398 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET . . . 25398 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25398 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 25398 1 2 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 25398 1 3 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 25398 1 4 'sodium acetate' '[U-99% 2H]' . . . . . . 20 . . mM . . . . 25398 1 5 'protease inhibitor cocktail' 'natural abundance' . . . . . . 0.01 . . tablet/100mL . . . . 25398 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25398 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 11.3 . . mg/mL . . . . 25398 2 2 entity 'natural abundance' . . 1 $entity . . 11.3 . . mg/mL . . . . 25398 2 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 25398 2 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 25398 2 5 'sodium acetate' [U-2H] . . . . . . 20 . . mM . . . . 25398 2 6 'protease inhibitor cocktail' 'natural abundance' . . . . . . 0.01 . . tablet/100mL . . . . 25398 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25398 _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' 0.04 . M 25398 1 pH 5.5 . pH 25398 1 pressure 1 . atm 25398 1 temperature 295 . K 25398 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25398 _Software.ID 1 _Software.Name VNMRJ _Software.Version 2.1b _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25398 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25398 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25398 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25398 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25398 2 processing 25398 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25398 _Software.ID 3 _Software.Name CARA _Software.Version 1.9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25398 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25398 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25398 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25398 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25398 4 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 25398 _Software.ID 5 _Software.Name UNIO _Software.Version 2.0.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. Herrmann, F. Fiorito, J. Volk' . . 25398 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25398 5 'peak picking' 25398 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25398 _Software.ID 6 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25398 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25398 6 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 25398 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with HCN cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25398 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with TXI room temperature probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25398 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'equipped with HCN cold probe' . . 25398 1 2 spectrometer_2 Bruker Avance . 800 'equipped with TXI room temperature probe' . . 25398 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25398 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25398 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25398 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25398 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25398 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25398 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25398 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25398 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25398 1 9 '3D 13C,15N filtered 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25398 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25398 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 water protons . . . . ppm 4.8 internal indirect 0.251449530 . . . . . . . . . 25398 1 H 1 water protons . . . . ppm 4.8 internal indirect 1 . . . . . . . . . 25398 1 N 15 water protons . . . . ppm 4.8 internal indirect 0.101329118 . . . . . . . . . 25398 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25398 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-15N HSQC' . . . 25398 1 2 '3D CBCA(CO)NH' . . . 25398 1 3 '3D HNCO' . . . 25398 1 4 '3D HNCA' . . . 25398 1 5 '3D HN(CA)CO' . . . 25398 1 6 '3D 1H-15N NOESY' . . . 25398 1 7 '3D 1H-13C NOESY aromatic' . . . 25398 1 8 '3D 1H-13C NOESY aliphatic' . . . 25398 1 9 '3D 13C,15N filtered 1H-13C NOESY aliphatic' . . . 25398 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 3 3 GLY H H 1 8.594 0.000 . 1 . . . A 3 GLY H . 25398 1 2 . 1 1 3 3 GLY HA2 H 1 3.960 0.000 . 2 . . . A 3 GLY HA2 . 25398 1 3 . 1 1 3 3 GLY HA3 H 1 3.960 0.000 . 2 . . . A 3 GLY HA3 . 25398 1 4 . 1 1 3 3 GLY C C 13 173.680 0.000 . 1 . . . A 3 GLY C . 25398 1 5 . 1 1 3 3 GLY CA C 13 45.386 0.000 . 1 . . . A 3 GLY CA . 25398 1 6 . 1 1 3 3 GLY N N 15 110.712 0.000 . 1 . . . A 3 GLY N . 25398 1 7 . 1 1 4 4 ASN H H 1 8.330 0.000 . 1 . . . A 4 ASN H . 25398 1 8 . 1 1 4 4 ASN HA H 1 4.660 0.000 . 1 . . . A 4 ASN HA . 25398 1 9 . 1 1 4 4 ASN HB2 H 1 2.716 0.000 . 2 . . . A 4 ASN HB2 . 25398 1 10 . 1 1 4 4 ASN HB3 H 1 2.786 0.000 . 2 . . . A 4 ASN HB3 . 25398 1 11 . 1 1 4 4 ASN C C 13 175.024 0.000 . 1 . . . A 4 ASN C . 25398 1 12 . 1 1 4 4 ASN CA C 13 53.420 0.000 . 1 . . . A 4 ASN CA . 25398 1 13 . 1 1 4 4 ASN CB C 13 38.753 0.000 . 1 . . . A 4 ASN CB . 25398 1 14 . 1 1 4 4 ASN N N 15 118.736 0.000 . 1 . . . A 4 ASN N . 25398 1 15 . 1 1 5 5 SER H H 1 8.291 0.000 . 1 . . . A 5 SER H . 25398 1 16 . 1 1 5 5 SER HA H 1 4.438 0.000 . 1 . . . A 5 SER HA . 25398 1 17 . 1 1 5 5 SER HB2 H 1 3.834 0.000 . 2 . . . A 5 SER HB2 . 25398 1 18 . 1 1 5 5 SER HB3 H 1 3.834 0.000 . 2 . . . A 5 SER HB3 . 25398 1 19 . 1 1 5 5 SER C C 13 173.883 0.000 . 1 . . . A 5 SER C . 25398 1 20 . 1 1 5 5 SER CA C 13 58.170 0.000 . 1 . . . A 5 SER CA . 25398 1 21 . 1 1 5 5 SER CB C 13 63.896 0.000 . 1 . . . A 5 SER CB . 25398 1 22 . 1 1 5 5 SER N N 15 116.188 0.000 . 1 . . . A 5 SER N . 25398 1 23 . 1 1 6 6 GLN H H 1 8.361 0.000 . 1 . . . A 6 GLN H . 25398 1 24 . 1 1 6 6 GLN HA H 1 4.589 0.000 . 1 . . . A 6 GLN HA . 25398 1 25 . 1 1 6 6 GLN HB2 H 1 2.035 0.000 . 2 . . . A 6 GLN HB2 . 25398 1 26 . 1 1 6 6 GLN HB3 H 1 1.867 0.000 . 2 . . . A 6 GLN HB3 . 25398 1 27 . 1 1 6 6 GLN HG2 H 1 2.315 0.000 . 2 . . . A 6 GLN HG2 . 25398 1 28 . 1 1 6 6 GLN HG3 H 1 2.315 0.000 . 2 . . . A 6 GLN HG3 . 25398 1 29 . 1 1 6 6 GLN HE21 H 1 7.464 0.000 . 2 . . . A 6 GLN HE21 . 25398 1 30 . 1 1 6 6 GLN HE22 H 1 6.833 0.000 . 2 . . . A 6 GLN HE22 . 25398 1 31 . 1 1 6 6 GLN CA C 13 53.836 0.000 . 1 . . . A 6 GLN CA . 25398 1 32 . 1 1 6 6 GLN CB C 13 29.175 0.000 . 1 . . . A 6 GLN CB . 25398 1 33 . 1 1 6 6 GLN CG C 13 33.595 0.000 . 1 . . . A 6 GLN CG . 25398 1 34 . 1 1 6 6 GLN N N 15 122.886 0.000 . 1 . . . A 6 GLN N . 25398 1 35 . 1 1 6 6 GLN NE2 N 15 112.013 0.000 . 1 . . . A 6 GLN NE2 . 25398 1 36 . 1 1 7 7 PRO HA H 1 4.420 0.000 . 1 . . . A 7 PRO HA . 25398 1 37 . 1 1 7 7 PRO HB2 H 1 2.305 0.000 . 2 . . . A 7 PRO HB2 . 25398 1 38 . 1 1 7 7 PRO HB3 H 1 2.305 0.000 . 2 . . . A 7 PRO HB3 . 25398 1 39 . 1 1 7 7 PRO HG2 H 1 1.863 0.000 . 2 . . . A 7 PRO HG2 . 25398 1 40 . 1 1 7 7 PRO HG3 H 1 1.926 0.000 . 2 . . . A 7 PRO HG3 . 25398 1 41 . 1 1 7 7 PRO HD2 H 1 3.440 0.000 . 2 . . . A 7 PRO HD2 . 25398 1 42 . 1 1 7 7 PRO HD3 H 1 3.779 0.000 . 2 . . . A 7 PRO HD3 . 25398 1 43 . 1 1 7 7 PRO CA C 13 63.100 0.000 . 1 . . . A 7 PRO CA . 25398 1 44 . 1 1 7 7 PRO CB C 13 33.838 0.000 . 1 . . . A 7 PRO CB . 25398 1 45 . 1 1 7 7 PRO CG C 13 27.549 0.000 . 1 . . . A 7 PRO CG . 25398 1 46 . 1 1 7 7 PRO CD C 13 50.749 0.000 . 1 . . . A 7 PRO CD . 25398 1 47 . 1 1 8 8 ILE HA H 1 3.928 0.000 . 1 . . . A 8 ILE HA . 25398 1 48 . 1 1 8 8 ILE HB H 1 1.694 0.000 . 1 . . . A 8 ILE HB . 25398 1 49 . 1 1 8 8 ILE HG12 H 1 0.891 0.000 . 2 . . . A 8 ILE HG12 . 25398 1 50 . 1 1 8 8 ILE HG13 H 1 0.934 0.000 . 2 . . . A 8 ILE HG13 . 25398 1 51 . 1 1 8 8 ILE HG21 H 1 0.497 0.000 . 1 . . . A 8 ILE HG21 . 25398 1 52 . 1 1 8 8 ILE HG22 H 1 0.497 0.000 . 1 . . . A 8 ILE HG21 . 25398 1 53 . 1 1 8 8 ILE HG23 H 1 0.497 0.000 . 1 . . . A 8 ILE HG21 . 25398 1 54 . 1 1 8 8 ILE HD11 H 1 0.559 0.000 . 1 . . . A 8 ILE HD11 . 25398 1 55 . 1 1 8 8 ILE HD12 H 1 0.559 0.000 . 1 . . . A 8 ILE HD11 . 25398 1 56 . 1 1 8 8 ILE HD13 H 1 0.559 0.000 . 1 . . . A 8 ILE HD11 . 25398 1 57 . 1 1 8 8 ILE CA C 13 63.077 0.000 . 1 . . . A 8 ILE CA . 25398 1 58 . 1 1 8 8 ILE CB C 13 37.947 0.000 . 1 . . . A 8 ILE CB . 25398 1 59 . 1 1 8 8 ILE CG1 C 13 28.572 0.000 . 1 . . . A 8 ILE CG1 . 25398 1 60 . 1 1 8 8 ILE CG2 C 13 17.166 0.000 . 1 . . . A 8 ILE CG2 . 25398 1 61 . 1 1 8 8 ILE CD1 C 13 14.169 0.000 . 1 . . . A 8 ILE CD1 . 25398 1 62 . 1 1 9 9 TRP HA H 1 4.285 0.000 . 1 . . . A 9 TRP HA . 25398 1 63 . 1 1 9 9 TRP HB2 H 1 3.156 0.000 . 2 . . . A 9 TRP HB2 . 25398 1 64 . 1 1 9 9 TRP HB3 H 1 3.070 0.000 . 2 . . . A 9 TRP HB3 . 25398 1 65 . 1 1 9 9 TRP HD1 H 1 7.031 0.000 . 1 . . . A 9 TRP HD1 . 25398 1 66 . 1 1 9 9 TRP HE1 H 1 9.652 0.000 . 1 . . . A 9 TRP HE1 . 25398 1 67 . 1 1 9 9 TRP HE3 H 1 7.373 0.000 . 1 . . . A 9 TRP HE3 . 25398 1 68 . 1 1 9 9 TRP HZ2 H 1 7.316 0.000 . 1 . . . A 9 TRP HZ2 . 25398 1 69 . 1 1 9 9 TRP HZ3 H 1 6.963 0.000 . 1 . . . A 9 TRP HZ3 . 25398 1 70 . 1 1 9 9 TRP HH2 H 1 7.039 0.000 . 1 . . . A 9 TRP HH2 . 25398 1 71 . 1 1 9 9 TRP CA C 13 57.917 0.000 . 1 . . . A 9 TRP CA . 25398 1 72 . 1 1 9 9 TRP CB C 13 29.132 0.000 . 1 . . . A 9 TRP CB . 25398 1 73 . 1 1 9 9 TRP CD1 C 13 127.188 0.000 . 1 . . . A 9 TRP CD1 . 25398 1 74 . 1 1 9 9 TRP CE3 C 13 119.846 0.000 . 1 . . . A 9 TRP CE3 . 25398 1 75 . 1 1 9 9 TRP CZ2 C 13 114.062 0.000 . 1 . . . A 9 TRP CZ2 . 25398 1 76 . 1 1 9 9 TRP CZ3 C 13 121.562 0.000 . 1 . . . A 9 TRP CZ3 . 25398 1 77 . 1 1 9 9 TRP CH2 C 13 124.221 0.000 . 1 . . . A 9 TRP CH2 . 25398 1 78 . 1 1 10 10 THR H H 1 7.419 0.000 . 1 . . . A 10 THR H . 25398 1 79 . 1 1 10 10 THR HA H 1 4.236 0.000 . 1 . . . A 10 THR HA . 25398 1 80 . 1 1 10 10 THR CA C 13 63.181 0.000 . 1 . . . A 10 THR CA . 25398 1 81 . 1 1 10 10 THR N N 15 107.750 0.000 . 1 . . . A 10 THR N . 25398 1 82 . 1 1 11 11 ASN H H 1 7.701 0.000 . 1 . . . A 11 ASN H . 25398 1 83 . 1 1 11 11 ASN HA H 1 5.175 0.000 . 1 . . . A 11 ASN HA . 25398 1 84 . 1 1 11 11 ASN HB2 H 1 3.073 0.000 . 2 . . . A 11 ASN HB2 . 25398 1 85 . 1 1 11 11 ASN HB3 H 1 2.669 0.000 . 2 . . . A 11 ASN HB3 . 25398 1 86 . 1 1 11 11 ASN HD21 H 1 7.758 0.000 . 2 . . . A 11 ASN HD21 . 25398 1 87 . 1 1 11 11 ASN HD22 H 1 7.077 0.000 . 2 . . . A 11 ASN HD22 . 25398 1 88 . 1 1 11 11 ASN CB C 13 39.800 0.000 . 1 . . . A 11 ASN CB . 25398 1 89 . 1 1 11 11 ASN N N 15 119.554 0.000 . 1 . . . A 11 ASN N . 25398 1 90 . 1 1 11 11 ASN ND2 N 15 113.640 0.000 . 1 . . . A 11 ASN ND2 . 25398 1 91 . 1 1 12 12 PRO HA H 1 4.079 0.000 . 1 . . . A 12 PRO HA . 25398 1 92 . 1 1 12 12 PRO HB2 H 1 2.299 0.000 . 2 . . . A 12 PRO HB2 . 25398 1 93 . 1 1 12 12 PRO HB3 H 1 2.042 0.000 . 2 . . . A 12 PRO HB3 . 25398 1 94 . 1 1 12 12 PRO HG2 H 1 2.202 0.000 . 2 . . . A 12 PRO HG2 . 25398 1 95 . 1 1 12 12 PRO HG3 H 1 1.967 0.000 . 2 . . . A 12 PRO HG3 . 25398 1 96 . 1 1 12 12 PRO HD2 H 1 3.723 0.000 . 2 . . . A 12 PRO HD2 . 25398 1 97 . 1 1 12 12 PRO HD3 H 1 4.038 0.000 . 2 . . . A 12 PRO HD3 . 25398 1 98 . 1 1 12 12 PRO CA C 13 65.278 0.000 . 1 . . . A 12 PRO CA . 25398 1 99 . 1 1 12 12 PRO CB C 13 32.466 0.000 . 1 . . . A 12 PRO CB . 25398 1 100 . 1 1 12 12 PRO CG C 13 27.715 0.000 . 1 . . . A 12 PRO CG . 25398 1 101 . 1 1 12 12 PRO CD C 13 50.792 0.000 . 1 . . . A 12 PRO CD . 25398 1 102 . 1 1 13 13 ASN H H 1 8.082 0.000 . 1 . . . A 13 ASN H . 25398 1 103 . 1 1 13 13 ASN HA H 1 4.385 0.000 . 1 . . . A 13 ASN HA . 25398 1 104 . 1 1 13 13 ASN HB2 H 1 2.773 0.000 . 2 . . . A 13 ASN HB2 . 25398 1 105 . 1 1 13 13 ASN HB3 H 1 2.773 0.000 . 2 . . . A 13 ASN HB3 . 25398 1 106 . 1 1 13 13 ASN HD21 H 1 7.670 0.000 . 2 . . . A 13 ASN HD21 . 25398 1 107 . 1 1 13 13 ASN HD22 H 1 6.965 0.000 . 2 . . . A 13 ASN HD22 . 25398 1 108 . 1 1 13 13 ASN C C 13 177.744 0.000 . 1 . . . A 13 ASN C . 25398 1 109 . 1 1 13 13 ASN CA C 13 56.539 0.000 . 1 . . . A 13 ASN CA . 25398 1 110 . 1 1 13 13 ASN CB C 13 38.222 0.000 . 1 . . . A 13 ASN CB . 25398 1 111 . 1 1 13 13 ASN N N 15 114.928 0.000 . 1 . . . A 13 ASN N . 25398 1 112 . 1 1 13 13 ASN ND2 N 15 113.218 0.000 . 1 . . . A 13 ASN ND2 . 25398 1 113 . 1 1 14 14 ALA H H 1 7.663 0.000 . 1 . . . A 14 ALA H . 25398 1 114 . 1 1 14 14 ALA HA H 1 4.100 0.000 . 1 . . . A 14 ALA HA . 25398 1 115 . 1 1 14 14 ALA HB1 H 1 1.339 0.000 . 1 . . . A 14 ALA HB1 . 25398 1 116 . 1 1 14 14 ALA HB2 H 1 1.339 0.000 . 1 . . . A 14 ALA HB1 . 25398 1 117 . 1 1 14 14 ALA HB3 H 1 1.339 0.000 . 1 . . . A 14 ALA HB1 . 25398 1 118 . 1 1 14 14 ALA C C 13 178.964 0.000 . 1 . . . A 14 ALA C . 25398 1 119 . 1 1 14 14 ALA CA C 13 54.623 0.000 . 1 . . . A 14 ALA CA . 25398 1 120 . 1 1 14 14 ALA CB C 13 18.502 0.000 . 1 . . . A 14 ALA CB . 25398 1 121 . 1 1 14 14 ALA N N 15 123.796 0.000 . 1 . . . A 14 ALA N . 25398 1 122 . 1 1 15 15 ALA H H 1 7.867 0.000 . 1 . . . A 15 ALA H . 25398 1 123 . 1 1 15 15 ALA HA H 1 3.337 0.000 . 1 . . . A 15 ALA HA . 25398 1 124 . 1 1 15 15 ALA HB1 H 1 0.748 0.000 . 1 . . . A 15 ALA HB1 . 25398 1 125 . 1 1 15 15 ALA HB2 H 1 0.748 0.000 . 1 . . . A 15 ALA HB1 . 25398 1 126 . 1 1 15 15 ALA HB3 H 1 0.748 0.000 . 1 . . . A 15 ALA HB1 . 25398 1 127 . 1 1 15 15 ALA CA C 13 55.448 0.000 . 1 . . . A 15 ALA CA . 25398 1 128 . 1 1 15 15 ALA CB C 13 17.173 0.000 . 1 . . . A 15 ALA CB . 25398 1 129 . 1 1 15 15 ALA N N 15 120.002 0.000 . 1 . . . A 15 ALA N . 25398 1 130 . 1 1 16 16 MET H H 1 8.168 0.000 . 1 . . . A 16 MET H . 25398 1 131 . 1 1 16 16 MET HA H 1 3.984 0.000 . 1 . . . A 16 MET HA . 25398 1 132 . 1 1 16 16 MET HB2 H 1 2.160 0.000 . 2 . . . A 16 MET HB2 . 25398 1 133 . 1 1 16 16 MET HB3 H 1 2.120 0.000 . 2 . . . A 16 MET HB3 . 25398 1 134 . 1 1 16 16 MET HG2 H 1 2.570 0.000 . 2 . . . A 16 MET HG2 . 25398 1 135 . 1 1 16 16 MET HG3 H 1 2.494 0.000 . 2 . . . A 16 MET HG3 . 25398 1 136 . 1 1 16 16 MET HE1 H 1 2.047 0.000 . 1 . . . A 16 MET HE1 . 25398 1 137 . 1 1 16 16 MET HE2 H 1 2.047 0.000 . 1 . . . A 16 MET HE1 . 25398 1 138 . 1 1 16 16 MET HE3 H 1 2.047 0.000 . 1 . . . A 16 MET HE1 . 25398 1 139 . 1 1 16 16 MET CA C 13 59.260 0.000 . 1 . . . A 16 MET CA . 25398 1 140 . 1 1 16 16 MET CB C 13 33.585 0.000 . 1 . . . A 16 MET CB . 25398 1 141 . 1 1 16 16 MET CG C 13 32.187 0.000 . 1 . . . A 16 MET CG . 25398 1 142 . 1 1 16 16 MET CE C 13 17.180 0.000 . 1 . . . A 16 MET CE . 25398 1 143 . 1 1 16 16 MET N N 15 119.113 0.000 . 1 . . . A 16 MET N . 25398 1 144 . 1 1 17 17 THR H H 1 8.128 0.000 . 1 . . . A 17 THR H . 25398 1 145 . 1 1 17 17 THR HA H 1 4.177 0.000 . 1 . . . A 17 THR HA . 25398 1 146 . 1 1 17 17 THR HB H 1 3.953 0.000 . 1 . . . A 17 THR HB . 25398 1 147 . 1 1 17 17 THR HG21 H 1 1.201 0.000 . 1 . . . A 17 THR HG21 . 25398 1 148 . 1 1 17 17 THR HG22 H 1 1.201 0.000 . 1 . . . A 17 THR HG21 . 25398 1 149 . 1 1 17 17 THR HG23 H 1 1.201 0.000 . 1 . . . A 17 THR HG21 . 25398 1 150 . 1 1 17 17 THR CA C 13 67.073 0.000 . 1 . . . A 17 THR CA . 25398 1 151 . 1 1 17 17 THR CB C 13 66.818 0.000 . 1 . . . A 17 THR CB . 25398 1 152 . 1 1 17 17 THR CG2 C 13 21.530 0.000 . 1 . . . A 17 THR CG2 . 25398 1 153 . 1 1 17 17 THR N N 15 117.768 0.000 . 1 . . . A 17 THR N . 25398 1 154 . 1 1 18 18 MET H H 1 8.533 0.000 . 1 . . . A 18 MET H . 25398 1 155 . 1 1 18 18 MET HA H 1 3.751 0.000 . 1 . . . A 18 MET HA . 25398 1 156 . 1 1 18 18 MET HB2 H 1 1.781 0.000 . 2 . . . A 18 MET HB2 . 25398 1 157 . 1 1 18 18 MET HB3 H 1 1.684 0.000 . 2 . . . A 18 MET HB3 . 25398 1 158 . 1 1 18 18 MET HG2 H 1 2.143 0.000 . 2 . . . A 18 MET HG2 . 25398 1 159 . 1 1 18 18 MET HG3 H 1 2.244 0.000 . 2 . . . A 18 MET HG3 . 25398 1 160 . 1 1 18 18 MET HE1 H 1 2.284 0.000 . 1 . . . A 18 MET HE1 . 25398 1 161 . 1 1 18 18 MET HE2 H 1 2.284 0.000 . 1 . . . A 18 MET HE1 . 25398 1 162 . 1 1 18 18 MET HE3 H 1 2.284 0.000 . 1 . . . A 18 MET HE1 . 25398 1 163 . 1 1 18 18 MET CA C 13 59.822 0.000 . 1 . . . A 18 MET CA . 25398 1 164 . 1 1 18 18 MET CB C 13 31.631 0.000 . 1 . . . A 18 MET CB . 25398 1 165 . 1 1 18 18 MET CG C 13 31.657 0.000 . 1 . . . A 18 MET CG . 25398 1 166 . 1 1 18 18 MET CE C 13 19.125 0.000 . 1 . . . A 18 MET CE . 25398 1 167 . 1 1 18 18 MET N N 15 121.262 0.000 . 1 . . . A 18 MET N . 25398 1 168 . 1 1 19 19 THR H H 1 7.988 0.000 . 1 . . . A 19 THR H . 25398 1 169 . 1 1 19 19 THR HA H 1 3.570 0.000 . 1 . . . A 19 THR HA . 25398 1 170 . 1 1 19 19 THR HB H 1 4.237 0.000 . 1 . . . A 19 THR HB . 25398 1 171 . 1 1 19 19 THR HG1 H 1 4.355 0.000 . 1 . . . A 19 THR HG1 . 25398 1 172 . 1 1 19 19 THR HG21 H 1 1.148 0.000 . 1 . . . A 19 THR HG21 . 25398 1 173 . 1 1 19 19 THR HG22 H 1 1.148 0.000 . 1 . . . A 19 THR HG21 . 25398 1 174 . 1 1 19 19 THR HG23 H 1 1.148 0.000 . 1 . . . A 19 THR HG21 . 25398 1 175 . 1 1 19 19 THR CA C 13 68.295 0.000 . 1 . . . A 19 THR CA . 25398 1 176 . 1 1 19 19 THR CB C 13 69.635 0.000 . 1 . . . A 19 THR CB . 25398 1 177 . 1 1 19 19 THR CG2 C 13 21.529 0.000 . 1 . . . A 19 THR CG2 . 25398 1 178 . 1 1 19 19 THR N N 15 115.934 0.000 . 1 . . . A 19 THR N . 25398 1 179 . 1 1 20 20 ASN H H 1 8.228 0.000 . 1 . . . A 20 ASN H . 25398 1 180 . 1 1 20 20 ASN HA H 1 4.385 0.000 . 1 . . . A 20 ASN HA . 25398 1 181 . 1 1 20 20 ASN HB2 H 1 2.816 0.000 . 2 . . . A 20 ASN HB2 . 25398 1 182 . 1 1 20 20 ASN HB3 H 1 2.708 0.000 . 2 . . . A 20 ASN HB3 . 25398 1 183 . 1 1 20 20 ASN HD21 H 1 7.488 0.000 . 2 . . . A 20 ASN HD21 . 25398 1 184 . 1 1 20 20 ASN HD22 H 1 7.320 0.000 . 2 . . . A 20 ASN HD22 . 25398 1 185 . 1 1 20 20 ASN CA C 13 56.747 0.000 . 1 . . . A 20 ASN CA . 25398 1 186 . 1 1 20 20 ASN CB C 13 38.236 0.000 . 1 . . . A 20 ASN CB . 25398 1 187 . 1 1 20 20 ASN N N 15 118.717 0.000 . 1 . . . A 20 ASN N . 25398 1 188 . 1 1 20 20 ASN ND2 N 15 113.232 0.000 . 1 . . . A 20 ASN ND2 . 25398 1 189 . 1 1 21 21 ASN H H 1 8.450 0.000 . 1 . . . A 21 ASN H . 25398 1 190 . 1 1 21 21 ASN HA H 1 4.348 0.000 . 1 . . . A 21 ASN HA . 25398 1 191 . 1 1 21 21 ASN HB2 H 1 2.943 0.000 . 2 . . . A 21 ASN HB2 . 25398 1 192 . 1 1 21 21 ASN HB3 H 1 2.812 0.000 . 2 . . . A 21 ASN HB3 . 25398 1 193 . 1 1 21 21 ASN HD21 H 1 7.352 0.000 . 2 . . . A 21 ASN HD21 . 25398 1 194 . 1 1 21 21 ASN HD22 H 1 6.899 0.000 . 2 . . . A 21 ASN HD22 . 25398 1 195 . 1 1 21 21 ASN C C 13 175.556 0.000 . 1 . . . A 21 ASN C . 25398 1 196 . 1 1 21 21 ASN CA C 13 56.531 0.000 . 1 . . . A 21 ASN CA . 25398 1 197 . 1 1 21 21 ASN CB C 13 37.719 0.000 . 1 . . . A 21 ASN CB . 25398 1 198 . 1 1 21 21 ASN N N 15 119.958 0.000 . 1 . . . A 21 ASN N . 25398 1 199 . 1 1 21 21 ASN ND2 N 15 110.274 0.000 . 1 . . . A 21 ASN ND2 . 25398 1 200 . 1 1 22 22 LEU H H 1 8.736 0.000 . 1 . . . A 22 LEU H . 25398 1 201 . 1 1 22 22 LEU HA H 1 3.860 0.000 . 1 . . . A 22 LEU HA . 25398 1 202 . 1 1 22 22 LEU HB2 H 1 2.287 0.000 . 2 . . . A 22 LEU HB2 . 25398 1 203 . 1 1 22 22 LEU HB3 H 1 1.681 0.000 . 2 . . . A 22 LEU HB3 . 25398 1 204 . 1 1 22 22 LEU HG H 1 1.392 0.000 . 1 . . . A 22 LEU HG . 25398 1 205 . 1 1 22 22 LEU HD11 H 1 0.907 0.000 . 2 . . . A 22 LEU HD11 . 25398 1 206 . 1 1 22 22 LEU HD12 H 1 0.907 0.000 . 2 . . . A 22 LEU HD11 . 25398 1 207 . 1 1 22 22 LEU HD13 H 1 0.907 0.000 . 2 . . . A 22 LEU HD11 . 25398 1 208 . 1 1 22 22 LEU HD21 H 1 0.828 0.000 . 2 . . . A 22 LEU HD21 . 25398 1 209 . 1 1 22 22 LEU HD22 H 1 0.828 0.000 . 2 . . . A 22 LEU HD21 . 25398 1 210 . 1 1 22 22 LEU HD23 H 1 0.828 0.000 . 2 . . . A 22 LEU HD21 . 25398 1 211 . 1 1 22 22 LEU C C 13 177.948 0.000 . 1 . . . A 22 LEU C . 25398 1 212 . 1 1 22 22 LEU CA C 13 59.288 0.000 . 1 . . . A 22 LEU CA . 25398 1 213 . 1 1 22 22 LEU CB C 13 41.478 0.000 . 1 . . . A 22 LEU CB . 25398 1 214 . 1 1 22 22 LEU CG C 13 27.594 0.000 . 1 . . . A 22 LEU CG . 25398 1 215 . 1 1 22 22 LEU CD1 C 13 27.008 0.000 . 2 . . . A 22 LEU CD1 . 25398 1 216 . 1 1 22 22 LEU CD2 C 13 23.842 0.000 . 2 . . . A 22 LEU CD2 . 25398 1 217 . 1 1 22 22 LEU N N 15 124.346 0.000 . 1 . . . A 22 LEU N . 25398 1 218 . 1 1 23 23 VAL H H 1 7.755 0.000 . 1 . . . A 23 VAL H . 25398 1 219 . 1 1 23 23 VAL HA H 1 3.359 0.000 . 1 . . . A 23 VAL HA . 25398 1 220 . 1 1 23 23 VAL HB H 1 2.181 0.000 . 1 . . . A 23 VAL HB . 25398 1 221 . 1 1 23 23 VAL HG11 H 1 1.073 0.000 . 2 . . . A 23 VAL HG11 . 25398 1 222 . 1 1 23 23 VAL HG12 H 1 1.073 0.000 . 2 . . . A 23 VAL HG11 . 25398 1 223 . 1 1 23 23 VAL HG13 H 1 1.073 0.000 . 2 . . . A 23 VAL HG11 . 25398 1 224 . 1 1 23 23 VAL HG21 H 1 0.873 0.000 . 2 . . . A 23 VAL HG21 . 25398 1 225 . 1 1 23 23 VAL HG22 H 1 0.873 0.000 . 2 . . . A 23 VAL HG21 . 25398 1 226 . 1 1 23 23 VAL HG23 H 1 0.873 0.000 . 2 . . . A 23 VAL HG21 . 25398 1 227 . 1 1 23 23 VAL CA C 13 67.709 0.000 . 1 . . . A 23 VAL CA . 25398 1 228 . 1 1 23 23 VAL CB C 13 31.657 0.000 . 1 . . . A 23 VAL CB . 25398 1 229 . 1 1 23 23 VAL CG1 C 13 23.973 0.000 . 2 . . . A 23 VAL CG1 . 25398 1 230 . 1 1 23 23 VAL CG2 C 13 21.502 0.000 . 2 . . . A 23 VAL CG2 . 25398 1 231 . 1 1 23 23 VAL N N 15 118.323 0.000 . 1 . . . A 23 VAL N . 25398 1 232 . 1 1 24 24 GLN H H 1 7.757 0.000 . 1 . . . A 24 GLN H . 25398 1 233 . 1 1 24 24 GLN HA H 1 4.043 0.000 . 1 . . . A 24 GLN HA . 25398 1 234 . 1 1 24 24 GLN HB2 H 1 2.108 0.000 . 2 . . . A 24 GLN HB2 . 25398 1 235 . 1 1 24 24 GLN HB3 H 1 2.108 0.000 . 2 . . . A 24 GLN HB3 . 25398 1 236 . 1 1 24 24 GLN HG2 H 1 2.457 0.000 . 2 . . . A 24 GLN HG2 . 25398 1 237 . 1 1 24 24 GLN HG3 H 1 2.400 0.000 . 2 . . . A 24 GLN HG3 . 25398 1 238 . 1 1 24 24 GLN HE21 H 1 6.847 0.000 . 2 . . . A 24 GLN HE21 . 25398 1 239 . 1 1 24 24 GLN HE22 H 1 7.457 0.000 . 2 . . . A 24 GLN HE22 . 25398 1 240 . 1 1 24 24 GLN C C 13 177.756 0.000 . 1 . . . A 24 GLN C . 25398 1 241 . 1 1 24 24 GLN CA C 13 59.004 0.000 . 1 . . . A 24 GLN CA . 25398 1 242 . 1 1 24 24 GLN CB C 13 28.471 0.000 . 1 . . . A 24 GLN CB . 25398 1 243 . 1 1 24 24 GLN CG C 13 33.861 0.000 . 1 . . . A 24 GLN CG . 25398 1 244 . 1 1 24 24 GLN N N 15 119.130 0.000 . 1 . . . A 24 GLN N . 25398 1 245 . 1 1 24 24 GLN NE2 N 15 111.901 0.000 . 1 . . . A 24 GLN NE2 . 25398 1 246 . 1 1 25 25 CYS H H 1 8.652 0.000 . 1 . . . A 25 CYS H . 25398 1 247 . 1 1 25 25 CYS HA H 1 4.106 0.000 . 1 . . . A 25 CYS HA . 25398 1 248 . 1 1 25 25 CYS HB2 H 1 3.165 0.000 . 2 . . . A 25 CYS HB2 . 25398 1 249 . 1 1 25 25 CYS HB3 H 1 3.199 0.000 . 2 . . . A 25 CYS HB3 . 25398 1 250 . 1 1 25 25 CYS C C 13 176.952 0.000 . 1 . . . A 25 CYS C . 25398 1 251 . 1 1 25 25 CYS CA C 13 59.813 0.000 . 1 . . . A 25 CYS CA . 25398 1 252 . 1 1 25 25 CYS CB C 13 36.590 0.000 . 1 . . . A 25 CYS CB . 25398 1 253 . 1 1 25 25 CYS N N 15 119.999 0.000 . 1 . . . A 25 CYS N . 25398 1 254 . 1 1 26 26 ALA H H 1 8.644 0.000 . 1 . . . A 26 ALA H . 25398 1 255 . 1 1 26 26 ALA HA H 1 3.767 0.000 . 1 . . . A 26 ALA HA . 25398 1 256 . 1 1 26 26 ALA HB1 H 1 1.375 0.000 . 1 . . . A 26 ALA HB1 . 25398 1 257 . 1 1 26 26 ALA HB2 H 1 1.375 0.000 . 1 . . . A 26 ALA HB1 . 25398 1 258 . 1 1 26 26 ALA HB3 H 1 1.375 0.000 . 1 . . . A 26 ALA HB1 . 25398 1 259 . 1 1 26 26 ALA C C 13 180.809 0.000 . 1 . . . A 26 ALA C . 25398 1 260 . 1 1 26 26 ALA CA C 13 55.132 0.000 . 1 . . . A 26 ALA CA . 25398 1 261 . 1 1 26 26 ALA CB C 13 17.974 0.000 . 1 . . . A 26 ALA CB . 25398 1 262 . 1 1 26 26 ALA N N 15 122.924 0.000 . 1 . . . A 26 ALA N . 25398 1 263 . 1 1 27 27 SER H H 1 8.698 0.000 . 1 . . . A 27 SER H . 25398 1 264 . 1 1 27 27 SER HA H 1 4.181 0.000 . 1 . . . A 27 SER HA . 25398 1 265 . 1 1 27 27 SER HB2 H 1 4.078 0.000 . 2 . . . A 27 SER HB2 . 25398 1 266 . 1 1 27 27 SER HB3 H 1 4.048 0.000 . 2 . . . A 27 SER HB3 . 25398 1 267 . 1 1 27 27 SER C C 13 176.572 0.000 . 1 . . . A 27 SER C . 25398 1 268 . 1 1 27 27 SER CA C 13 61.944 0.000 . 1 . . . A 27 SER CA . 25398 1 269 . 1 1 27 27 SER CB C 13 63.100 0.000 . 1 . . . A 27 SER CB . 25398 1 270 . 1 1 27 27 SER N N 15 116.635 0.000 . 1 . . . A 27 SER N . 25398 1 271 . 1 1 28 28 ARG H H 1 8.046 0.000 . 1 . . . A 28 ARG H . 25398 1 272 . 1 1 28 28 ARG HA H 1 4.132 0.000 . 1 . . . A 28 ARG HA . 25398 1 273 . 1 1 28 28 ARG HB2 H 1 1.905 0.000 . 2 . . . A 28 ARG HB2 . 25398 1 274 . 1 1 28 28 ARG HB3 H 1 1.905 0.000 . 2 . . . A 28 ARG HB3 . 25398 1 275 . 1 1 28 28 ARG HG2 H 1 1.750 0.000 . 2 . . . A 28 ARG HG2 . 25398 1 276 . 1 1 28 28 ARG HG3 H 1 1.750 0.000 . 2 . . . A 28 ARG HG3 . 25398 1 277 . 1 1 28 28 ARG HD2 H 1 3.131 0.000 . 2 . . . A 28 ARG HD2 . 25398 1 278 . 1 1 28 28 ARG HD3 H 1 3.192 0.000 . 2 . . . A 28 ARG HD3 . 25398 1 279 . 1 1 28 28 ARG HE H 1 7.201 0.000 . 1 . . . A 28 ARG HE . 25398 1 280 . 1 1 28 28 ARG C C 13 177.729 0.000 . 1 . . . A 28 ARG C . 25398 1 281 . 1 1 28 28 ARG CA C 13 58.195 0.000 . 1 . . . A 28 ARG CA . 25398 1 282 . 1 1 28 28 ARG CB C 13 30.304 0.000 . 1 . . . A 28 ARG CB . 25398 1 283 . 1 1 28 28 ARG CG C 13 27.805 0.000 . 1 . . . A 28 ARG CG . 25398 1 284 . 1 1 28 28 ARG CD C 13 43.682 0.000 . 1 . . . A 28 ARG CD . 25398 1 285 . 1 1 28 28 ARG N N 15 118.687 0.000 . 1 . . . A 28 ARG N . 25398 1 286 . 1 1 28 28 ARG NE N 15 84.537 0.000 . 1 . . . A 28 ARG NE . 25398 1 287 . 1 1 29 29 SER H H 1 7.375 0.000 . 1 . . . A 29 SER H . 25398 1 288 . 1 1 29 29 SER HA H 1 4.161 0.000 . 1 . . . A 29 SER HA . 25398 1 289 . 1 1 29 29 SER HB2 H 1 3.934 0.000 . 2 . . . A 29 SER HB2 . 25398 1 290 . 1 1 29 29 SER HB3 H 1 4.016 0.000 . 2 . . . A 29 SER HB3 . 25398 1 291 . 1 1 29 29 SER HG H 1 5.482 0.000 . 1 . . . A 29 SER HG . 25398 1 292 . 1 1 29 29 SER C C 13 175.487 0.000 . 1 . . . A 29 SER C . 25398 1 293 . 1 1 29 29 SER CA C 13 61.086 0.000 . 1 . . . A 29 SER CA . 25398 1 294 . 1 1 29 29 SER CB C 13 64.085 0.000 . 1 . . . A 29 SER CB . 25398 1 295 . 1 1 29 29 SER N N 15 113.678 0.000 . 1 . . . A 29 SER N . 25398 1 296 . 1 1 30 30 GLY H H 1 7.342 0.000 . 1 . . . A 30 GLY H . 25398 1 297 . 1 1 30 30 GLY HA2 H 1 3.966 0.000 . 2 . . . A 30 GLY HA2 . 25398 1 298 . 1 1 30 30 GLY HA3 H 1 4.117 0.000 . 2 . . . A 30 GLY HA3 . 25398 1 299 . 1 1 30 30 GLY C C 13 174.680 0.000 . 1 . . . A 30 GLY C . 25398 1 300 . 1 1 30 30 GLY CA C 13 46.509 0.000 . 1 . . . A 30 GLY CA . 25398 1 301 . 1 1 30 30 GLY N N 15 109.875 0.000 . 1 . . . A 30 GLY N . 25398 1 302 . 1 1 31 31 VAL H H 1 7.748 0.000 . 1 . . . A 31 VAL H . 25398 1 303 . 1 1 31 31 VAL HA H 1 4.153 0.000 . 1 . . . A 31 VAL HA . 25398 1 304 . 1 1 31 31 VAL HB H 1 2.105 0.000 . 1 . . . A 31 VAL HB . 25398 1 305 . 1 1 31 31 VAL HG11 H 1 0.847 0.000 . 2 . . . A 31 VAL HG11 . 25398 1 306 . 1 1 31 31 VAL HG12 H 1 0.847 0.000 . 2 . . . A 31 VAL HG11 . 25398 1 307 . 1 1 31 31 VAL HG13 H 1 0.847 0.000 . 2 . . . A 31 VAL HG11 . 25398 1 308 . 1 1 31 31 VAL HG21 H 1 0.876 0.000 . 2 . . . A 31 VAL HG21 . 25398 1 309 . 1 1 31 31 VAL HG22 H 1 0.876 0.000 . 2 . . . A 31 VAL HG21 . 25398 1 310 . 1 1 31 31 VAL HG23 H 1 0.876 0.000 . 2 . . . A 31 VAL HG21 . 25398 1 311 . 1 1 31 31 VAL C C 13 175.813 0.000 . 1 . . . A 31 VAL C . 25398 1 312 . 1 1 31 31 VAL CA C 13 62.155 0.000 . 1 . . . A 31 VAL CA . 25398 1 313 . 1 1 31 31 VAL CB C 13 33.138 0.000 . 1 . . . A 31 VAL CB . 25398 1 314 . 1 1 31 31 VAL CG1 C 13 21.541 0.000 . 2 . . . A 31 VAL CG1 . 25398 1 315 . 1 1 31 31 VAL CG2 C 13 20.706 0.000 . 2 . . . A 31 VAL CG2 . 25398 1 316 . 1 1 31 31 VAL N N 15 115.318 0.000 . 1 . . . A 31 VAL N . 25398 1 317 . 1 1 32 32 LEU H H 1 8.174 0.000 . 1 . . . A 32 LEU H . 25398 1 318 . 1 1 32 32 LEU HA H 1 4.362 0.000 . 1 . . . A 32 LEU HA . 25398 1 319 . 1 1 32 32 LEU HB2 H 1 1.607 0.000 . 2 . . . A 32 LEU HB2 . 25398 1 320 . 1 1 32 32 LEU HB3 H 1 1.665 0.000 . 2 . . . A 32 LEU HB3 . 25398 1 321 . 1 1 32 32 LEU HG H 1 1.526 0.000 . 1 . . . A 32 LEU HG . 25398 1 322 . 1 1 32 32 LEU HD11 H 1 0.812 0.000 . 2 . . . A 32 LEU HD11 . 25398 1 323 . 1 1 32 32 LEU HD12 H 1 0.812 0.000 . 2 . . . A 32 LEU HD11 . 25398 1 324 . 1 1 32 32 LEU HD13 H 1 0.812 0.000 . 2 . . . A 32 LEU HD11 . 25398 1 325 . 1 1 32 32 LEU HD21 H 1 0.670 0.000 . 2 . . . A 32 LEU HD21 . 25398 1 326 . 1 1 32 32 LEU HD22 H 1 0.670 0.000 . 2 . . . A 32 LEU HD21 . 25398 1 327 . 1 1 32 32 LEU HD23 H 1 0.670 0.000 . 2 . . . A 32 LEU HD21 . 25398 1 328 . 1 1 32 32 LEU CA C 13 55.953 0.000 . 1 . . . A 32 LEU CA . 25398 1 329 . 1 1 32 32 LEU CB C 13 41.773 0.000 . 1 . . . A 32 LEU CB . 25398 1 330 . 1 1 32 32 LEU CG C 13 30.280 0.000 . 1 . . . A 32 LEU CG . 25398 1 331 . 1 1 32 32 LEU CD1 C 13 25.624 0.000 . 2 . . . A 32 LEU CD1 . 25398 1 332 . 1 1 32 32 LEU CD2 C 13 26.294 0.000 . 2 . . . A 32 LEU CD2 . 25398 1 333 . 1 1 32 32 LEU N N 15 121.693 0.000 . 1 . . . A 32 LEU N . 25398 1 334 . 1 1 33 33 THR H H 1 9.183 0.000 . 1 . . . A 33 THR H . 25398 1 335 . 1 1 33 33 THR HA H 1 4.285 0.000 . 1 . . . A 33 THR HA . 25398 1 336 . 1 1 33 33 THR HB H 1 4.751 0.000 . 1 . . . A 33 THR HB . 25398 1 337 . 1 1 33 33 THR HG21 H 1 1.344 0.000 . 1 . . . A 33 THR HG21 . 25398 1 338 . 1 1 33 33 THR HG22 H 1 1.344 0.000 . 1 . . . A 33 THR HG21 . 25398 1 339 . 1 1 33 33 THR HG23 H 1 1.344 0.000 . 1 . . . A 33 THR HG21 . 25398 1 340 . 1 1 33 33 THR C C 13 174.962 0.000 . 1 . . . A 33 THR C . 25398 1 341 . 1 1 33 33 THR CA C 13 60.838 0.000 . 1 . . . A 33 THR CA . 25398 1 342 . 1 1 33 33 THR CB C 13 69.633 0.000 . 1 . . . A 33 THR CB . 25398 1 343 . 1 1 33 33 THR CG2 C 13 22.063 0.000 . 1 . . . A 33 THR CG2 . 25398 1 344 . 1 1 33 33 THR N N 15 112.806 0.000 . 1 . . . A 33 THR N . 25398 1 345 . 1 1 34 34 ALA H H 1 8.878 0.000 . 1 . . . A 34 ALA H . 25398 1 346 . 1 1 34 34 ALA HA H 1 4.054 0.000 . 1 . . . A 34 ALA HA . 25398 1 347 . 1 1 34 34 ALA HB1 H 1 1.441 0.000 . 1 . . . A 34 ALA HB1 . 25398 1 348 . 1 1 34 34 ALA HB2 H 1 1.441 0.000 . 1 . . . A 34 ALA HB1 . 25398 1 349 . 1 1 34 34 ALA HB3 H 1 1.441 0.000 . 1 . . . A 34 ALA HB1 . 25398 1 350 . 1 1 34 34 ALA CA C 13 55.686 0.000 . 1 . . . A 34 ALA CA . 25398 1 351 . 1 1 34 34 ALA CB C 13 17.699 0.000 . 1 . . . A 34 ALA CB . 25398 1 352 . 1 1 34 34 ALA N N 15 123.035 0.000 . 1 . . . A 34 ALA N . 25398 1 353 . 1 1 35 35 ASP H H 1 8.250 0.000 . 1 . . . A 35 ASP H . 25398 1 354 . 1 1 35 35 ASP HA H 1 3.844 0.000 . 1 . . . A 35 ASP HA . 25398 1 355 . 1 1 35 35 ASP HB2 H 1 1.294 0.000 . 2 . . . A 35 ASP HB2 . 25398 1 356 . 1 1 35 35 ASP HB3 H 1 2.265 0.000 . 2 . . . A 35 ASP HB3 . 25398 1 357 . 1 1 35 35 ASP CA C 13 57.277 0.000 . 1 . . . A 35 ASP CA . 25398 1 358 . 1 1 35 35 ASP CB C 13 39.559 0.000 . 1 . . . A 35 ASP CB . 25398 1 359 . 1 1 35 35 ASP N N 15 118.729 0.000 . 1 . . . A 35 ASP N . 25398 1 360 . 1 1 36 36 GLN H H 1 7.514 0.000 . 1 . . . A 36 GLN H . 25398 1 361 . 1 1 36 36 GLN HA H 1 3.954 0.000 . 1 . . . A 36 GLN HA . 25398 1 362 . 1 1 36 36 GLN HB2 H 1 1.636 0.000 . 2 . . . A 36 GLN HB2 . 25398 1 363 . 1 1 36 36 GLN HB3 H 1 2.418 0.000 . 2 . . . A 36 GLN HB3 . 25398 1 364 . 1 1 36 36 GLN HG2 H 1 2.214 0.000 . 2 . . . A 36 GLN HG2 . 25398 1 365 . 1 1 36 36 GLN HG3 H 1 2.536 0.000 . 2 . . . A 36 GLN HG3 . 25398 1 366 . 1 1 36 36 GLN HE21 H 1 7.659 0.000 . 2 . . . A 36 GLN HE21 . 25398 1 367 . 1 1 36 36 GLN HE22 H 1 6.559 0.000 . 2 . . . A 36 GLN HE22 . 25398 1 368 . 1 1 36 36 GLN C C 13 179.167 0.000 . 1 . . . A 36 GLN C . 25398 1 369 . 1 1 36 36 GLN CA C 13 59.219 0.000 . 1 . . . A 36 GLN CA . 25398 1 370 . 1 1 36 36 GLN CB C 13 30.820 0.000 . 1 . . . A 36 GLN CB . 25398 1 371 . 1 1 36 36 GLN CG C 13 36.045 0.000 . 1 . . . A 36 GLN CG . 25398 1 372 . 1 1 36 36 GLN N N 15 118.285 0.000 . 1 . . . A 36 GLN N . 25398 1 373 . 1 1 36 36 GLN NE2 N 15 116.535 0.000 . 1 . . . A 36 GLN NE2 . 25398 1 374 . 1 1 37 37 MET H H 1 8.586 0.000 . 1 . . . A 37 MET H . 25398 1 375 . 1 1 37 37 MET HA H 1 4.234 0.000 . 1 . . . A 37 MET HA . 25398 1 376 . 1 1 37 37 MET HB2 H 1 2.014 0.000 . 2 . . . A 37 MET HB2 . 25398 1 377 . 1 1 37 37 MET HB3 H 1 2.164 0.000 . 2 . . . A 37 MET HB3 . 25398 1 378 . 1 1 37 37 MET HG2 H 1 2.731 0.000 . 2 . . . A 37 MET HG2 . 25398 1 379 . 1 1 37 37 MET HG3 H 1 2.328 0.000 . 2 . . . A 37 MET HG3 . 25398 1 380 . 1 1 37 37 MET HE1 H 1 2.036 0.000 . 1 . . . A 37 MET HE1 . 25398 1 381 . 1 1 37 37 MET HE2 H 1 2.036 0.000 . 1 . . . A 37 MET HE1 . 25398 1 382 . 1 1 37 37 MET HE3 H 1 2.036 0.000 . 1 . . . A 37 MET HE1 . 25398 1 383 . 1 1 37 37 MET CA C 13 56.587 0.000 . 1 . . . A 37 MET CA . 25398 1 384 . 1 1 37 37 MET CB C 13 30.387 0.000 . 1 . . . A 37 MET CB . 25398 1 385 . 1 1 37 37 MET CG C 13 31.338 0.000 . 1 . . . A 37 MET CG . 25398 1 386 . 1 1 37 37 MET CE C 13 15.407 0.000 . 1 . . . A 37 MET CE . 25398 1 387 . 1 1 37 37 MET N N 15 117.463 0.000 . 1 . . . A 37 MET N . 25398 1 388 . 1 1 38 38 ASP H H 1 8.298 0.000 . 1 . . . A 38 ASP H . 25398 1 389 . 1 1 38 38 ASP HA H 1 4.474 0.000 . 1 . . . A 38 ASP HA . 25398 1 390 . 1 1 38 38 ASP HB2 H 1 2.904 0.000 . 2 . . . A 38 ASP HB2 . 25398 1 391 . 1 1 38 38 ASP HB3 H 1 2.904 0.000 . 2 . . . A 38 ASP HB3 . 25398 1 392 . 1 1 38 38 ASP CA C 13 57.673 0.000 . 1 . . . A 38 ASP CA . 25398 1 393 . 1 1 38 38 ASP CB C 13 41.777 0.000 . 1 . . . A 38 ASP CB . 25398 1 394 . 1 1 38 38 ASP N N 15 123.766 0.000 . 1 . . . A 38 ASP N . 25398 1 395 . 1 1 39 39 ASP H H 1 8.228 0.000 . 1 . . . A 39 ASP H . 25398 1 396 . 1 1 39 39 ASP HA H 1 4.461 0.000 . 1 . . . A 39 ASP HA . 25398 1 397 . 1 1 39 39 ASP HB2 H 1 2.472 0.000 . 2 . . . A 39 ASP HB2 . 25398 1 398 . 1 1 39 39 ASP HB3 H 1 2.880 0.000 . 2 . . . A 39 ASP HB3 . 25398 1 399 . 1 1 39 39 ASP CA C 13 57.884 0.000 . 1 . . . A 39 ASP CA . 25398 1 400 . 1 1 39 39 ASP CB C 13 39.897 0.000 . 1 . . . A 39 ASP CB . 25398 1 401 . 1 1 39 39 ASP N N 15 121.620 0.000 . 1 . . . A 39 ASP N . 25398 1 402 . 1 1 40 40 MET H H 1 8.423 0.000 . 1 . . . A 40 MET H . 25398 1 403 . 1 1 40 40 MET HA H 1 4.240 0.000 . 1 . . . A 40 MET HA . 25398 1 404 . 1 1 40 40 MET HB2 H 1 2.715 0.000 . 2 . . . A 40 MET HB2 . 25398 1 405 . 1 1 40 40 MET HB3 H 1 2.488 0.000 . 2 . . . A 40 MET HB3 . 25398 1 406 . 1 1 40 40 MET HG2 H 1 2.026 0.000 . 2 . . . A 40 MET HG2 . 25398 1 407 . 1 1 40 40 MET HG3 H 1 2.115 0.000 . 2 . . . A 40 MET HG3 . 25398 1 408 . 1 1 40 40 MET HE1 H 1 1.797 0.000 . 1 . . . A 40 MET HE1 . 25398 1 409 . 1 1 40 40 MET HE2 H 1 1.797 0.000 . 1 . . . A 40 MET HE1 . 25398 1 410 . 1 1 40 40 MET HE3 H 1 1.797 0.000 . 1 . . . A 40 MET HE1 . 25398 1 411 . 1 1 40 40 MET CA C 13 57.686 0.000 . 1 . . . A 40 MET CA . 25398 1 412 . 1 1 40 40 MET CB C 13 33.852 0.000 . 1 . . . A 40 MET CB . 25398 1 413 . 1 1 40 40 MET CG C 13 30.551 0.000 . 1 . . . A 40 MET CG . 25398 1 414 . 1 1 40 40 MET CE C 13 17.402 0.000 . 1 . . . A 40 MET CE . 25398 1 415 . 1 1 40 40 MET N N 15 120.838 0.000 . 1 . . . A 40 MET N . 25398 1 416 . 1 1 41 41 GLY H H 1 8.375 0.000 . 1 . . . A 41 GLY H . 25398 1 417 . 1 1 41 41 GLY HA2 H 1 4.068 0.000 . 2 . . . A 41 GLY HA2 . 25398 1 418 . 1 1 41 41 GLY HA3 H 1 3.826 0.000 . 2 . . . A 41 GLY HA3 . 25398 1 419 . 1 1 41 41 GLY C C 13 174.321 0.000 . 1 . . . A 41 GLY C . 25398 1 420 . 1 1 41 41 GLY CA C 13 47.232 0.000 . 1 . . . A 41 GLY CA . 25398 1 421 . 1 1 41 41 GLY N N 15 107.745 0.000 . 1 . . . A 41 GLY N . 25398 1 422 . 1 1 42 42 MET H H 1 8.383 0.000 . 1 . . . A 42 MET H . 25398 1 423 . 1 1 42 42 MET HA H 1 4.228 0.000 . 1 . . . A 42 MET HA . 25398 1 424 . 1 1 42 42 MET HB2 H 1 2.639 0.000 . 2 . . . A 42 MET HB2 . 25398 1 425 . 1 1 42 42 MET HB3 H 1 2.467 0.000 . 2 . . . A 42 MET HB3 . 25398 1 426 . 1 1 42 42 MET HG2 H 1 2.419 0.000 . 2 . . . A 42 MET HG2 . 25398 1 427 . 1 1 42 42 MET HG3 H 1 2.300 0.000 . 2 . . . A 42 MET HG3 . 25398 1 428 . 1 1 42 42 MET HE1 H 1 2.116 0.000 . 1 . . . A 42 MET HE1 . 25398 1 429 . 1 1 42 42 MET HE2 H 1 2.116 0.000 . 1 . . . A 42 MET HE1 . 25398 1 430 . 1 1 42 42 MET HE3 H 1 2.116 0.000 . 1 . . . A 42 MET HE1 . 25398 1 431 . 1 1 42 42 MET CA C 13 58.484 0.000 . 1 . . . A 42 MET CA . 25398 1 432 . 1 1 42 42 MET CB C 13 31.941 0.000 . 1 . . . A 42 MET CB . 25398 1 433 . 1 1 42 42 MET CG C 13 31.393 0.000 . 1 . . . A 42 MET CG . 25398 1 434 . 1 1 42 42 MET CE C 13 17.445 0.000 . 1 . . . A 42 MET CE . 25398 1 435 . 1 1 42 42 MET N N 15 122.924 0.000 . 1 . . . A 42 MET N . 25398 1 436 . 1 1 43 43 MET H H 1 7.956 0.000 . 1 . . . A 43 MET H . 25398 1 437 . 1 1 43 43 MET HA H 1 4.017 0.000 . 1 . . . A 43 MET HA . 25398 1 438 . 1 1 43 43 MET HB2 H 1 2.004 0.000 . 2 . . . A 43 MET HB2 . 25398 1 439 . 1 1 43 43 MET HB3 H 1 2.004 0.000 . 2 . . . A 43 MET HB3 . 25398 1 440 . 1 1 43 43 MET HG2 H 1 2.621 0.000 . 2 . . . A 43 MET HG2 . 25398 1 441 . 1 1 43 43 MET HG3 H 1 2.621 0.000 . 2 . . . A 43 MET HG3 . 25398 1 442 . 1 1 43 43 MET HE1 H 1 2.001 0.000 . 1 . . . A 43 MET HE1 . 25398 1 443 . 1 1 43 43 MET HE2 H 1 2.001 0.000 . 1 . . . A 43 MET HE1 . 25398 1 444 . 1 1 43 43 MET HE3 H 1 2.001 0.000 . 1 . . . A 43 MET HE1 . 25398 1 445 . 1 1 43 43 MET CA C 13 58.645 0.000 . 1 . . . A 43 MET CA . 25398 1 446 . 1 1 43 43 MET CB C 13 30.930 0.000 . 1 . . . A 43 MET CB . 25398 1 447 . 1 1 43 43 MET CG C 13 31.569 0.000 . 1 . . . A 43 MET CG . 25398 1 448 . 1 1 43 43 MET CE C 13 16.814 0.000 . 1 . . . A 43 MET CE . 25398 1 449 . 1 1 43 43 MET N N 15 122.077 0.000 . 1 . . . A 43 MET N . 25398 1 450 . 1 1 44 44 ALA H H 1 8.074 0.000 . 1 . . . A 44 ALA H . 25398 1 451 . 1 1 44 44 ALA HA H 1 3.834 0.000 . 1 . . . A 44 ALA HA . 25398 1 452 . 1 1 44 44 ALA HB1 H 1 1.466 0.000 . 1 . . . A 44 ALA HB1 . 25398 1 453 . 1 1 44 44 ALA HB2 H 1 1.466 0.000 . 1 . . . A 44 ALA HB1 . 25398 1 454 . 1 1 44 44 ALA HB3 H 1 1.466 0.000 . 1 . . . A 44 ALA HB1 . 25398 1 455 . 1 1 44 44 ALA CA C 13 55.517 0.000 . 1 . . . A 44 ALA CA . 25398 1 456 . 1 1 44 44 ALA CB C 13 18.020 0.000 . 1 . . . A 44 ALA CB . 25398 1 457 . 1 1 44 44 ALA N N 15 121.676 0.000 . 1 . . . A 44 ALA N . 25398 1 458 . 1 1 45 45 ASP H H 1 8.415 0.000 . 1 . . . A 45 ASP H . 25398 1 459 . 1 1 45 45 ASP HA H 1 4.414 0.000 . 1 . . . A 45 ASP HA . 25398 1 460 . 1 1 45 45 ASP HB2 H 1 2.737 0.000 . 2 . . . A 45 ASP HB2 . 25398 1 461 . 1 1 45 45 ASP HB3 H 1 2.795 0.000 . 2 . . . A 45 ASP HB3 . 25398 1 462 . 1 1 45 45 ASP CA C 13 57.645 0.000 . 1 . . . A 45 ASP CA . 25398 1 463 . 1 1 45 45 ASP CB C 13 41.790 0.000 . 1 . . . A 45 ASP CB . 25398 1 464 . 1 1 45 45 ASP N N 15 118.696 0.000 . 1 . . . A 45 ASP N . 25398 1 465 . 1 1 46 46 SER H H 1 8.322 0.000 . 1 . . . A 46 SER H . 25398 1 466 . 1 1 46 46 SER HA H 1 4.168 0.000 . 1 . . . A 46 SER HA . 25398 1 467 . 1 1 46 46 SER HB2 H 1 4.036 0.000 . 2 . . . A 46 SER HB2 . 25398 1 468 . 1 1 46 46 SER HB3 H 1 3.971 0.000 . 2 . . . A 46 SER HB3 . 25398 1 469 . 1 1 46 46 SER CA C 13 61.429 0.000 . 1 . . . A 46 SER CA . 25398 1 470 . 1 1 46 46 SER CB C 13 63.111 0.000 . 1 . . . A 46 SER CB . 25398 1 471 . 1 1 46 46 SER N N 15 115.766 0.000 . 1 . . . A 46 SER N . 25398 1 472 . 1 1 47 47 VAL H H 1 8.161 0.000 . 1 . . . A 47 VAL H . 25398 1 473 . 1 1 47 47 VAL HA H 1 3.693 0.000 . 1 . . . A 47 VAL HA . 25398 1 474 . 1 1 47 47 VAL HB H 1 2.160 0.000 . 1 . . . A 47 VAL HB . 25398 1 475 . 1 1 47 47 VAL HG11 H 1 1.133 0.000 . 2 . . . A 47 VAL HG11 . 25398 1 476 . 1 1 47 47 VAL HG12 H 1 1.133 0.000 . 2 . . . A 47 VAL HG11 . 25398 1 477 . 1 1 47 47 VAL HG13 H 1 1.133 0.000 . 2 . . . A 47 VAL HG11 . 25398 1 478 . 1 1 47 47 VAL HG21 H 1 0.950 0.000 . 2 . . . A 47 VAL HG21 . 25398 1 479 . 1 1 47 47 VAL HG22 H 1 0.950 0.000 . 2 . . . A 47 VAL HG21 . 25398 1 480 . 1 1 47 47 VAL HG23 H 1 0.950 0.000 . 2 . . . A 47 VAL HG21 . 25398 1 481 . 1 1 47 47 VAL C C 13 175.868 0.000 . 1 . . . A 47 VAL C . 25398 1 482 . 1 1 47 47 VAL CA C 13 66.923 0.000 . 1 . . . A 47 VAL CA . 25398 1 483 . 1 1 47 47 VAL CB C 13 32.219 0.000 . 1 . . . A 47 VAL CB . 25398 1 484 . 1 1 47 47 VAL CG1 C 13 22.818 0.000 . 2 . . . A 47 VAL CG1 . 25398 1 485 . 1 1 47 47 VAL CG2 C 13 20.979 0.000 . 2 . . . A 47 VAL CG2 . 25398 1 486 . 1 1 47 47 VAL N N 15 122.021 0.000 . 1 . . . A 47 VAL N . 25398 1 487 . 1 1 48 48 ASN H H 1 8.590 0.000 . 1 . . . A 48 ASN H . 25398 1 488 . 1 1 48 48 ASN HA H 1 4.335 0.000 . 1 . . . A 48 ASN HA . 25398 1 489 . 1 1 48 48 ASN HB2 H 1 2.907 0.000 . 2 . . . A 48 ASN HB2 . 25398 1 490 . 1 1 48 48 ASN HB3 H 1 2.730 0.000 . 2 . . . A 48 ASN HB3 . 25398 1 491 . 1 1 48 48 ASN HD21 H 1 7.056 0.000 . 2 . . . A 48 ASN HD21 . 25398 1 492 . 1 1 48 48 ASN HD22 H 1 7.464 0.000 . 2 . . . A 48 ASN HD22 . 25398 1 493 . 1 1 48 48 ASN C C 13 178.057 0.000 . 1 . . . A 48 ASN C . 25398 1 494 . 1 1 48 48 ASN CA C 13 57.108 0.000 . 1 . . . A 48 ASN CA . 25398 1 495 . 1 1 48 48 ASN CB C 13 38.740 0.000 . 1 . . . A 48 ASN CB . 25398 1 496 . 1 1 48 48 ASN N N 15 117.937 0.000 . 1 . . . A 48 ASN N . 25398 1 497 . 1 1 48 48 ASN ND2 N 15 111.138 0.000 . 1 . . . A 48 ASN ND2 . 25398 1 498 . 1 1 49 49 SER H H 1 8.452 0.000 . 1 . . . A 49 SER H . 25398 1 499 . 1 1 49 49 SER HA H 1 4.158 0.000 . 1 . . . A 49 SER HA . 25398 1 500 . 1 1 49 49 SER HB2 H 1 4.001 0.000 . 2 . . . A 49 SER HB2 . 25398 1 501 . 1 1 49 49 SER HB3 H 1 3.947 0.000 . 2 . . . A 49 SER HB3 . 25398 1 502 . 1 1 49 49 SER C C 13 172.554 0.000 . 1 . . . A 49 SER C . 25398 1 503 . 1 1 49 49 SER CA C 13 62.155 0.000 . 1 . . . A 49 SER CA . 25398 1 504 . 1 1 49 49 SER CB C 13 62.868 0.000 . 1 . . . A 49 SER CB . 25398 1 505 . 1 1 49 49 SER N N 15 114.096 0.000 . 1 . . . A 49 SER N . 25398 1 506 . 1 1 50 50 GLN H H 1 8.018 0.000 . 1 . . . A 50 GLN H . 25398 1 507 . 1 1 50 50 GLN HA H 1 4.042 0.000 . 1 . . . A 50 GLN HA . 25398 1 508 . 1 1 50 50 GLN HB2 H 1 2.221 0.000 . 2 . . . A 50 GLN HB2 . 25398 1 509 . 1 1 50 50 GLN HB3 H 1 2.106 0.000 . 2 . . . A 50 GLN HB3 . 25398 1 510 . 1 1 50 50 GLN HG2 H 1 2.548 0.000 . 2 . . . A 50 GLN HG2 . 25398 1 511 . 1 1 50 50 GLN HG3 H 1 2.421 0.000 . 2 . . . A 50 GLN HG3 . 25398 1 512 . 1 1 50 50 GLN HE21 H 1 7.072 0.000 . 2 . . . A 50 GLN HE21 . 25398 1 513 . 1 1 50 50 GLN HE22 H 1 7.154 0.000 . 2 . . . A 50 GLN HE22 . 25398 1 514 . 1 1 50 50 GLN CA C 13 58.923 0.000 . 1 . . . A 50 GLN CA . 25398 1 515 . 1 1 50 50 GLN CB C 13 29.183 0.000 . 1 . . . A 50 GLN CB . 25398 1 516 . 1 1 50 50 GLN CG C 13 34.920 0.000 . 1 . . . A 50 GLN CG . 25398 1 517 . 1 1 50 50 GLN N N 15 120.023 0.000 . 1 . . . A 50 GLN N . 25398 1 518 . 1 1 50 50 GLN NE2 N 15 111.115 0.000 . 1 . . . A 50 GLN NE2 . 25398 1 519 . 1 1 51 51 MET H H 1 8.679 0.000 . 1 . . . A 51 MET H . 25398 1 520 . 1 1 51 51 MET HA H 1 4.263 0.000 . 1 . . . A 51 MET HA . 25398 1 521 . 1 1 51 51 MET HB2 H 1 2.371 0.000 . 2 . . . A 51 MET HB2 . 25398 1 522 . 1 1 51 51 MET HB3 H 1 2.012 0.000 . 2 . . . A 51 MET HB3 . 25398 1 523 . 1 1 51 51 MET HG2 H 1 2.725 0.000 . 2 . . . A 51 MET HG2 . 25398 1 524 . 1 1 51 51 MET HG3 H 1 2.654 0.000 . 2 . . . A 51 MET HG3 . 25398 1 525 . 1 1 51 51 MET HE1 H 1 1.971 0.000 . 1 . . . A 51 MET HE1 . 25398 1 526 . 1 1 51 51 MET HE2 H 1 1.971 0.000 . 1 . . . A 51 MET HE1 . 25398 1 527 . 1 1 51 51 MET HE3 H 1 1.971 0.000 . 1 . . . A 51 MET HE1 . 25398 1 528 . 1 1 51 51 MET C C 13 179.542 0.000 . 1 . . . A 51 MET C . 25398 1 529 . 1 1 51 51 MET CA C 13 58.187 0.000 . 1 . . . A 51 MET CA . 25398 1 530 . 1 1 51 51 MET CB C 13 31.430 0.000 . 1 . . . A 51 MET CB . 25398 1 531 . 1 1 51 51 MET CG C 13 33.530 0.000 . 1 . . . A 51 MET CG . 25398 1 532 . 1 1 51 51 MET CE C 13 18.008 0.000 . 1 . . . A 51 MET CE . 25398 1 533 . 1 1 51 51 MET N N 15 118.698 0.000 . 1 . . . A 51 MET N . 25398 1 534 . 1 1 52 52 GLN H H 1 7.932 0.000 . 1 . . . A 52 GLN H . 25398 1 535 . 1 1 52 52 GLN HA H 1 4.027 0.000 . 1 . . . A 52 GLN HA . 25398 1 536 . 1 1 52 52 GLN HB2 H 1 2.153 0.000 . 2 . . . A 52 GLN HB2 . 25398 1 537 . 1 1 52 52 GLN HB3 H 1 2.153 0.000 . 2 . . . A 52 GLN HB3 . 25398 1 538 . 1 1 52 52 GLN HG2 H 1 2.552 0.000 . 2 . . . A 52 GLN HG2 . 25398 1 539 . 1 1 52 52 GLN HG3 H 1 2.413 0.000 . 2 . . . A 52 GLN HG3 . 25398 1 540 . 1 1 52 52 GLN HE21 H 1 6.796 0.000 . 2 . . . A 52 GLN HE21 . 25398 1 541 . 1 1 52 52 GLN HE22 H 1 7.296 0.000 . 2 . . . A 52 GLN HE22 . 25398 1 542 . 1 1 52 52 GLN C C 13 177.932 0.000 . 1 . . . A 52 GLN C . 25398 1 543 . 1 1 52 52 GLN CA C 13 58.564 0.000 . 1 . . . A 52 GLN CA . 25398 1 544 . 1 1 52 52 GLN CB C 13 28.380 0.000 . 1 . . . A 52 GLN CB . 25398 1 545 . 1 1 52 52 GLN CG C 13 33.923 0.000 . 1 . . . A 52 GLN CG . 25398 1 546 . 1 1 52 52 GLN N N 15 117.852 0.000 . 1 . . . A 52 GLN N . 25398 1 547 . 1 1 52 52 GLN NE2 N 15 111.465 0.000 . 1 . . . A 52 GLN NE2 . 25398 1 548 . 1 1 53 53 LYS H H 1 7.445 0.000 . 1 . . . A 53 LYS H . 25398 1 549 . 1 1 53 53 LYS HA H 1 4.203 0.000 . 1 . . . A 53 LYS HA . 25398 1 550 . 1 1 53 53 LYS HB2 H 1 1.934 0.000 . 2 . . . A 53 LYS HB2 . 25398 1 551 . 1 1 53 53 LYS HB3 H 1 1.853 0.000 . 2 . . . A 53 LYS HB3 . 25398 1 552 . 1 1 53 53 LYS HG2 H 1 1.556 0.000 . 2 . . . A 53 LYS HG2 . 25398 1 553 . 1 1 53 53 LYS HG3 H 1 1.453 0.000 . 2 . . . A 53 LYS HG3 . 25398 1 554 . 1 1 53 53 LYS HD2 H 1 1.655 0.000 . 2 . . . A 53 LYS HD2 . 25398 1 555 . 1 1 53 53 LYS HD3 H 1 1.655 0.000 . 2 . . . A 53 LYS HD3 . 25398 1 556 . 1 1 53 53 LYS HE2 H 1 2.913 0.000 . 2 . . . A 53 LYS HE2 . 25398 1 557 . 1 1 53 53 LYS HE3 H 1 2.913 0.000 . 2 . . . A 53 LYS HE3 . 25398 1 558 . 1 1 53 53 LYS C C 13 177.651 0.000 . 1 . . . A 53 LYS C . 25398 1 559 . 1 1 53 53 LYS CA C 13 57.612 0.000 . 1 . . . A 53 LYS CA . 25398 1 560 . 1 1 53 53 LYS CB C 13 33.024 0.000 . 1 . . . A 53 LYS CB . 25398 1 561 . 1 1 53 53 LYS CG C 13 25.346 0.000 . 1 . . . A 53 LYS CG . 25398 1 562 . 1 1 53 53 LYS CD C 13 29.453 0.000 . 1 . . . A 53 LYS CD . 25398 1 563 . 1 1 53 53 LYS CE C 13 42.024 0.000 . 1 . . . A 53 LYS CE . 25398 1 564 . 1 1 53 53 LYS N N 15 117.026 0.000 . 1 . . . A 53 LYS N . 25398 1 565 . 1 1 54 54 MET H H 1 7.655 0.000 . 1 . . . A 54 MET H . 25398 1 566 . 1 1 54 54 MET HA H 1 4.215 0.000 . 1 . . . A 54 MET HA . 25398 1 567 . 1 1 54 54 MET HB2 H 1 2.283 0.000 . 2 . . . A 54 MET HB2 . 25398 1 568 . 1 1 54 54 MET HB3 H 1 1.988 0.000 . 2 . . . A 54 MET HB3 . 25398 1 569 . 1 1 54 54 MET HG2 H 1 2.659 0.000 . 2 . . . A 54 MET HG2 . 25398 1 570 . 1 1 54 54 MET HG3 H 1 2.884 0.000 . 2 . . . A 54 MET HG3 . 25398 1 571 . 1 1 54 54 MET HE1 H 1 1.996 0.000 . 1 . . . A 54 MET HE1 . 25398 1 572 . 1 1 54 54 MET HE2 H 1 1.996 0.000 . 1 . . . A 54 MET HE1 . 25398 1 573 . 1 1 54 54 MET HE3 H 1 1.996 0.000 . 1 . . . A 54 MET HE1 . 25398 1 574 . 1 1 54 54 MET C C 13 176.806 0.000 . 1 . . . A 54 MET C . 25398 1 575 . 1 1 54 54 MET CA C 13 57.633 0.000 . 1 . . . A 54 MET CA . 25398 1 576 . 1 1 54 54 MET CB C 13 34.367 0.000 . 1 . . . A 54 MET CB . 25398 1 577 . 1 1 54 54 MET CG C 13 32.221 0.000 . 1 . . . A 54 MET CG . 25398 1 578 . 1 1 54 54 MET CE C 13 17.987 0.000 . 1 . . . A 54 MET CE . 25398 1 579 . 1 1 54 54 MET N N 15 116.552 0.000 . 1 . . . A 54 MET N . 25398 1 580 . 1 1 55 55 GLY H H 1 7.573 0.000 . 1 . . . A 55 GLY H . 25398 1 581 . 1 1 55 55 GLY HA2 H 1 4.209 0.000 . 2 . . . A 55 GLY HA2 . 25398 1 582 . 1 1 55 55 GLY HA3 H 1 3.896 0.000 . 2 . . . A 55 GLY HA3 . 25398 1 583 . 1 1 55 55 GLY C C 13 171.006 0.000 . 1 . . . A 55 GLY C . 25398 1 584 . 1 1 55 55 GLY CA C 13 44.915 0.000 . 1 . . . A 55 GLY CA . 25398 1 585 . 1 1 55 55 GLY N N 15 106.349 0.000 . 1 . . . A 55 GLY N . 25398 1 586 . 1 1 56 56 PRO HA H 1 4.354 0.000 . 1 . . . A 56 PRO HA . 25398 1 587 . 1 1 56 56 PRO HB2 H 1 2.253 0.000 . 2 . . . A 56 PRO HB2 . 25398 1 588 . 1 1 56 56 PRO HB3 H 1 1.910 0.000 . 2 . . . A 56 PRO HB3 . 25398 1 589 . 1 1 56 56 PRO HG2 H 1 1.987 0.000 . 2 . . . A 56 PRO HG2 . 25398 1 590 . 1 1 56 56 PRO HG3 H 1 1.987 0.000 . 2 . . . A 56 PRO HG3 . 25398 1 591 . 1 1 56 56 PRO HD2 H 1 3.499 0.000 . 2 . . . A 56 PRO HD2 . 25398 1 592 . 1 1 56 56 PRO HD3 H 1 3.673 0.000 . 2 . . . A 56 PRO HD3 . 25398 1 593 . 1 1 56 56 PRO CA C 13 63.643 0.000 . 1 . . . A 56 PRO CA . 25398 1 594 . 1 1 56 56 PRO CB C 13 32.419 0.000 . 1 . . . A 56 PRO CB . 25398 1 595 . 1 1 56 56 PRO CG C 13 26.992 0.000 . 1 . . . A 56 PRO CG . 25398 1 596 . 1 1 56 56 PRO CD C 13 49.431 0.000 . 1 . . . A 56 PRO CD . 25398 1 597 . 1 1 57 57 ASN H H 1 8.831 0.000 . 1 . . . A 57 ASN H . 25398 1 598 . 1 1 57 57 ASN HA H 1 4.925 0.000 . 1 . . . A 57 ASN HA . 25398 1 599 . 1 1 57 57 ASN HB2 H 1 2.760 0.000 . 2 . . . A 57 ASN HB2 . 25398 1 600 . 1 1 57 57 ASN HB3 H 1 2.599 0.000 . 2 . . . A 57 ASN HB3 . 25398 1 601 . 1 1 57 57 ASN HD21 H 1 6.877 0.000 . 2 . . . A 57 ASN HD21 . 25398 1 602 . 1 1 57 57 ASN HD22 H 1 7.650 0.000 . 2 . . . A 57 ASN HD22 . 25398 1 603 . 1 1 57 57 ASN C C 13 171.178 0.000 . 1 . . . A 57 ASN C . 25398 1 604 . 1 1 57 57 ASN CA C 13 52.228 0.000 . 1 . . . A 57 ASN CA . 25398 1 605 . 1 1 57 57 ASN CB C 13 39.168 0.000 . 1 . . . A 57 ASN CB . 25398 1 606 . 1 1 57 57 ASN N N 15 116.962 0.000 . 1 . . . A 57 ASN N . 25398 1 607 . 1 1 57 57 ASN ND2 N 15 113.176 0.000 . 1 . . . A 57 ASN ND2 . 25398 1 608 . 1 1 58 58 PRO HA H 1 4.641 0.000 . 1 . . . A 58 PRO HA . 25398 1 609 . 1 1 58 58 PRO HB2 H 1 1.677 0.000 . 2 . . . A 58 PRO HB2 . 25398 1 610 . 1 1 58 58 PRO HB3 H 1 2.203 0.000 . 2 . . . A 58 PRO HB3 . 25398 1 611 . 1 1 58 58 PRO HG2 H 1 1.972 0.000 . 2 . . . A 58 PRO HG2 . 25398 1 612 . 1 1 58 58 PRO HG3 H 1 1.922 0.000 . 2 . . . A 58 PRO HG3 . 25398 1 613 . 1 1 58 58 PRO HD2 H 1 3.499 0.000 . 2 . . . A 58 PRO HD2 . 25398 1 614 . 1 1 58 58 PRO HD3 H 1 3.747 0.000 . 2 . . . A 58 PRO HD3 . 25398 1 615 . 1 1 58 58 PRO CA C 13 63.648 0.000 . 1 . . . A 58 PRO CA . 25398 1 616 . 1 1 58 58 PRO CB C 13 31.490 0.000 . 1 . . . A 58 PRO CB . 25398 1 617 . 1 1 58 58 PRO CG C 13 27.579 0.000 . 1 . . . A 58 PRO CG . 25398 1 618 . 1 1 58 58 PRO CD C 13 49.823 0.000 . 1 . . . A 58 PRO CD . 25398 1 619 . 1 1 59 59 PRO HA H 1 4.539 0.000 . 1 . . . A 59 PRO HA . 25398 1 620 . 1 1 59 59 PRO HB2 H 1 1.324 0.000 . 2 . . . A 59 PRO HB2 . 25398 1 621 . 1 1 59 59 PRO HB3 H 1 2.391 0.000 . 2 . . . A 59 PRO HB3 . 25398 1 622 . 1 1 59 59 PRO HG2 H 1 2.146 0.000 . 2 . . . A 59 PRO HG2 . 25398 1 623 . 1 1 59 59 PRO HG3 H 1 1.678 0.000 . 2 . . . A 59 PRO HG3 . 25398 1 624 . 1 1 59 59 PRO HD2 H 1 3.928 0.000 . 2 . . . A 59 PRO HD2 . 25398 1 625 . 1 1 59 59 PRO HD3 H 1 3.418 0.000 . 2 . . . A 59 PRO HD3 . 25398 1 626 . 1 1 59 59 PRO CA C 13 62.008 0.000 . 1 . . . A 59 PRO CA . 25398 1 627 . 1 1 59 59 PRO CB C 13 32.486 0.000 . 1 . . . A 59 PRO CB . 25398 1 628 . 1 1 59 59 PRO CG C 13 27.788 0.000 . 1 . . . A 59 PRO CG . 25398 1 629 . 1 1 59 59 PRO CD C 13 50.533 0.000 . 1 . . . A 59 PRO CD . 25398 1 630 . 1 1 60 60 GLN H H 1 9.110 0.000 . 1 . . . A 60 GLN H . 25398 1 631 . 1 1 60 60 GLN HA H 1 3.928 0.000 . 1 . . . A 60 GLN HA . 25398 1 632 . 1 1 60 60 GLN HB2 H 1 2.253 0.000 . 2 . . . A 60 GLN HB2 . 25398 1 633 . 1 1 60 60 GLN HB3 H 1 2.253 0.000 . 2 . . . A 60 GLN HB3 . 25398 1 634 . 1 1 60 60 GLN HG2 H 1 2.512 0.000 . 2 . . . A 60 GLN HG2 . 25398 1 635 . 1 1 60 60 GLN HG3 H 1 2.608 0.000 . 2 . . . A 60 GLN HG3 . 25398 1 636 . 1 1 60 60 GLN HE21 H 1 7.684 0.000 . 2 . . . A 60 GLN HE21 . 25398 1 637 . 1 1 60 60 GLN HE22 H 1 7.018 0.000 . 2 . . . A 60 GLN HE22 . 25398 1 638 . 1 1 60 60 GLN C C 13 178.949 0.000 . 1 . . . A 60 GLN C . 25398 1 639 . 1 1 60 60 GLN CA C 13 60.113 0.000 . 1 . . . A 60 GLN CA . 25398 1 640 . 1 1 60 60 GLN CB C 13 28.006 0.000 . 1 . . . A 60 GLN CB . 25398 1 641 . 1 1 60 60 GLN CG C 13 34.559 0.000 . 1 . . . A 60 GLN CG . 25398 1 642 . 1 1 60 60 GLN N N 15 124.193 0.000 . 1 . . . A 60 GLN N . 25398 1 643 . 1 1 60 60 GLN NE2 N 15 112.007 0.000 . 1 . . . A 60 GLN NE2 . 25398 1 644 . 1 1 61 61 HIS H H 1 8.710 0.000 . 1 . . . A 61 HIS H . 25398 1 645 . 1 1 61 61 HIS HA H 1 4.325 0.000 . 1 . . . A 61 HIS HA . 25398 1 646 . 1 1 61 61 HIS HB2 H 1 3.704 0.000 . 2 . . . A 61 HIS HB2 . 25398 1 647 . 1 1 61 61 HIS HB3 H 1 3.352 0.000 . 2 . . . A 61 HIS HB3 . 25398 1 648 . 1 1 61 61 HIS HD2 H 1 7.600 0.000 . 1 . . . A 61 HIS HD2 . 25398 1 649 . 1 1 61 61 HIS HE1 H 1 9.423 0.000 . 1 . . . A 61 HIS HE1 . 25398 1 650 . 1 1 61 61 HIS CA C 13 58.450 0.000 . 1 . . . A 61 HIS CA . 25398 1 651 . 1 1 61 61 HIS CB C 13 26.746 0.000 . 1 . . . A 61 HIS CB . 25398 1 652 . 1 1 61 61 HIS CD2 C 13 120.618 0.000 . 1 . . . A 61 HIS CD2 . 25398 1 653 . 1 1 61 61 HIS CE1 C 13 138.444 0.000 . 1 . . . A 61 HIS CE1 . 25398 1 654 . 1 1 61 61 HIS N N 15 113.960 0.000 . 1 . . . A 61 HIS N . 25398 1 655 . 1 1 62 62 ARG H H 1 6.599 0.000 . 1 . . . A 62 ARG H . 25398 1 656 . 1 1 62 62 ARG HA H 1 4.150 0.000 . 1 . . . A 62 ARG HA . 25398 1 657 . 1 1 62 62 ARG HB2 H 1 1.713 0.000 . 2 . . . A 62 ARG HB2 . 25398 1 658 . 1 1 62 62 ARG HB3 H 1 1.713 0.000 . 2 . . . A 62 ARG HB3 . 25398 1 659 . 1 1 62 62 ARG HG2 H 1 1.382 0.000 . 2 . . . A 62 ARG HG2 . 25398 1 660 . 1 1 62 62 ARG HG3 H 1 1.328 0.000 . 2 . . . A 62 ARG HG3 . 25398 1 661 . 1 1 62 62 ARG HD2 H 1 2.975 0.000 . 2 . . . A 62 ARG HD2 . 25398 1 662 . 1 1 62 62 ARG HD3 H 1 3.025 0.000 . 2 . . . A 62 ARG HD3 . 25398 1 663 . 1 1 62 62 ARG HE H 1 7.305 0.000 . 1 . . . A 62 ARG HE . 25398 1 664 . 1 1 62 62 ARG C C 13 178.066 0.000 . 1 . . . A 62 ARG C . 25398 1 665 . 1 1 62 62 ARG CA C 13 58.984 0.000 . 1 . . . A 62 ARG CA . 25398 1 666 . 1 1 62 62 ARG CB C 13 30.843 0.000 . 1 . . . A 62 ARG CB . 25398 1 667 . 1 1 62 62 ARG CG C 13 26.989 0.000 . 1 . . . A 62 ARG CG . 25398 1 668 . 1 1 62 62 ARG CD C 13 43.513 0.000 . 1 . . . A 62 ARG CD . 25398 1 669 . 1 1 62 62 ARG N N 15 119.603 0.000 . 1 . . . A 62 ARG N . 25398 1 670 . 1 1 62 62 ARG NE N 15 84.873 0.000 . 1 . . . A 62 ARG NE . 25398 1 671 . 1 1 63 63 LEU H H 1 7.031 0.000 . 1 . . . A 63 LEU H . 25398 1 672 . 1 1 63 63 LEU HA H 1 3.949 0.000 . 1 . . . A 63 LEU HA . 25398 1 673 . 1 1 63 63 LEU HB2 H 1 1.961 0.000 . 2 . . . A 63 LEU HB2 . 25398 1 674 . 1 1 63 63 LEU HB3 H 1 1.806 0.000 . 2 . . . A 63 LEU HB3 . 25398 1 675 . 1 1 63 63 LEU HG H 1 1.541 0.000 . 1 . . . A 63 LEU HG . 25398 1 676 . 1 1 63 63 LEU HD11 H 1 0.858 0.000 . 2 . . . A 63 LEU HD11 . 25398 1 677 . 1 1 63 63 LEU HD12 H 1 0.858 0.000 . 2 . . . A 63 LEU HD11 . 25398 1 678 . 1 1 63 63 LEU HD13 H 1 0.858 0.000 . 2 . . . A 63 LEU HD11 . 25398 1 679 . 1 1 63 63 LEU HD21 H 1 0.795 0.000 . 2 . . . A 63 LEU HD21 . 25398 1 680 . 1 1 63 63 LEU HD22 H 1 0.795 0.000 . 2 . . . A 63 LEU HD21 . 25398 1 681 . 1 1 63 63 LEU HD23 H 1 0.795 0.000 . 2 . . . A 63 LEU HD21 . 25398 1 682 . 1 1 63 63 LEU C C 13 178.677 0.000 . 1 . . . A 63 LEU C . 25398 1 683 . 1 1 63 63 LEU CA C 13 57.861 0.000 . 1 . . . A 63 LEU CA . 25398 1 684 . 1 1 63 63 LEU CB C 13 41.258 0.000 . 1 . . . A 63 LEU CB . 25398 1 685 . 1 1 63 63 LEU CG C 13 27.096 0.000 . 1 . . . A 63 LEU CG . 25398 1 686 . 1 1 63 63 LEU CD1 C 13 25.697 0.000 . 2 . . . A 63 LEU CD1 . 25398 1 687 . 1 1 63 63 LEU CD2 C 13 23.179 0.000 . 2 . . . A 63 LEU CD2 . 25398 1 688 . 1 1 63 63 LEU N N 15 119.184 0.000 . 1 . . . A 63 LEU N . 25398 1 689 . 1 1 64 64 ARG H H 1 8.304 0.000 . 1 . . . A 64 ARG H . 25398 1 690 . 1 1 64 64 ARG HA H 1 4.313 0.000 . 1 . . . A 64 ARG HA . 25398 1 691 . 1 1 64 64 ARG HB2 H 1 1.772 0.000 . 2 . . . A 64 ARG HB2 . 25398 1 692 . 1 1 64 64 ARG HB3 H 1 1.965 0.000 . 2 . . . A 64 ARG HB3 . 25398 1 693 . 1 1 64 64 ARG HG2 H 1 1.688 0.000 . 2 . . . A 64 ARG HG2 . 25398 1 694 . 1 1 64 64 ARG HG3 H 1 1.548 0.000 . 2 . . . A 64 ARG HG3 . 25398 1 695 . 1 1 64 64 ARG C C 13 178.826 0.000 . 1 . . . A 64 ARG C . 25398 1 696 . 1 1 64 64 ARG CA C 13 59.111 0.000 . 1 . . . A 64 ARG CA . 25398 1 697 . 1 1 64 64 ARG CB C 13 30.049 0.000 . 1 . . . A 64 ARG CB . 25398 1 698 . 1 1 64 64 ARG CD C 13 45.360 0.000 . 1 . . . A 64 ARG CD . 25398 1 699 . 1 1 64 64 ARG N N 15 119.504 0.000 . 1 . . . A 64 ARG N . 25398 1 700 . 1 1 65 65 ALA H H 1 7.494 0.000 . 1 . . . A 65 ALA H . 25398 1 701 . 1 1 65 65 ALA HA H 1 3.869 0.000 . 1 . . . A 65 ALA HA . 25398 1 702 . 1 1 65 65 ALA HB1 H 1 1.491 0.000 . 1 . . . A 65 ALA HB1 . 25398 1 703 . 1 1 65 65 ALA HB2 H 1 1.491 0.000 . 1 . . . A 65 ALA HB1 . 25398 1 704 . 1 1 65 65 ALA HB3 H 1 1.491 0.000 . 1 . . . A 65 ALA HB1 . 25398 1 705 . 1 1 65 65 ALA C C 13 179.073 0.000 . 1 . . . A 65 ALA C . 25398 1 706 . 1 1 65 65 ALA CA C 13 56.024 0.000 . 1 . . . A 65 ALA CA . 25398 1 707 . 1 1 65 65 ALA CB C 13 18.048 0.000 . 1 . . . A 65 ALA CB . 25398 1 708 . 1 1 65 65 ALA N N 15 123.363 0.000 . 1 . . . A 65 ALA N . 25398 1 709 . 1 1 66 66 MET H H 1 7.831 0.000 . 1 . . . A 66 MET H . 25398 1 710 . 1 1 66 66 MET HA H 1 4.002 0.000 . 1 . . . A 66 MET HA . 25398 1 711 . 1 1 66 66 MET HB2 H 1 1.980 0.000 . 2 . . . A 66 MET HB2 . 25398 1 712 . 1 1 66 66 MET HB3 H 1 2.107 0.000 . 2 . . . A 66 MET HB3 . 25398 1 713 . 1 1 66 66 MET HG2 H 1 2.391 0.000 . 2 . . . A 66 MET HG2 . 25398 1 714 . 1 1 66 66 MET HG3 H 1 2.480 0.000 . 2 . . . A 66 MET HG3 . 25398 1 715 . 1 1 66 66 MET HE1 H 1 2.028 0.000 . 1 . . . A 66 MET HE1 . 25398 1 716 . 1 1 66 66 MET HE2 H 1 2.028 0.000 . 1 . . . A 66 MET HE1 . 25398 1 717 . 1 1 66 66 MET HE3 H 1 2.028 0.000 . 1 . . . A 66 MET HE1 . 25398 1 718 . 1 1 66 66 MET CA C 13 58.305 0.000 . 1 . . . A 66 MET CA . 25398 1 719 . 1 1 66 66 MET CB C 13 33.522 0.000 . 1 . . . A 66 MET CB . 25398 1 720 . 1 1 66 66 MET CG C 13 33.765 0.000 . 1 . . . A 66 MET CG . 25398 1 721 . 1 1 66 66 MET CE C 13 17.732 0.000 . 1 . . . A 66 MET CE . 25398 1 722 . 1 1 66 66 MET N N 15 116.603 0.000 . 1 . . . A 66 MET N . 25398 1 723 . 1 1 67 67 ASN H H 1 8.085 0.000 . 1 . . . A 67 ASN H . 25398 1 724 . 1 1 67 67 ASN HA H 1 3.702 0.000 . 1 . . . A 67 ASN HA . 25398 1 725 . 1 1 67 67 ASN HB2 H 1 2.503 0.000 . 2 . . . A 67 ASN HB2 . 25398 1 726 . 1 1 67 67 ASN HB3 H 1 2.459 0.000 . 2 . . . A 67 ASN HB3 . 25398 1 727 . 1 1 67 67 ASN HD21 H 1 6.841 0.000 . 2 . . . A 67 ASN HD21 . 25398 1 728 . 1 1 67 67 ASN HD22 H 1 7.452 0.000 . 2 . . . A 67 ASN HD22 . 25398 1 729 . 1 1 67 67 ASN CA C 13 56.518 0.000 . 1 . . . A 67 ASN CA . 25398 1 730 . 1 1 67 67 ASN CB C 13 39.339 0.000 . 1 . . . A 67 ASN CB . 25398 1 731 . 1 1 67 67 ASN N N 15 118.713 0.000 . 1 . . . A 67 ASN N . 25398 1 732 . 1 1 67 67 ASN ND2 N 15 111.797 0.000 . 1 . . . A 67 ASN ND2 . 25398 1 733 . 1 1 68 68 THR H H 1 7.767 0.000 . 1 . . . A 68 THR H . 25398 1 734 . 1 1 68 68 THR HA H 1 3.780 0.000 . 1 . . . A 68 THR HA . 25398 1 735 . 1 1 68 68 THR HB H 1 4.104 0.000 . 1 . . . A 68 THR HB . 25398 1 736 . 1 1 68 68 THR HG21 H 1 1.115 0.000 . 1 . . . A 68 THR HG21 . 25398 1 737 . 1 1 68 68 THR HG22 H 1 1.115 0.000 . 1 . . . A 68 THR HG21 . 25398 1 738 . 1 1 68 68 THR HG23 H 1 1.115 0.000 . 1 . . . A 68 THR HG21 . 25398 1 739 . 1 1 68 68 THR CA C 13 66.936 0.000 . 1 . . . A 68 THR CA . 25398 1 740 . 1 1 68 68 THR CB C 13 68.570 0.000 . 1 . . . A 68 THR CB . 25398 1 741 . 1 1 68 68 THR CG2 C 13 22.065 0.000 . 1 . . . A 68 THR CG2 . 25398 1 742 . 1 1 68 68 THR N N 15 116.218 0.000 . 1 . . . A 68 THR N . 25398 1 743 . 1 1 69 69 ALA H H 1 7.752 0.000 . 1 . . . A 69 ALA H . 25398 1 744 . 1 1 69 69 ALA HA H 1 3.877 0.000 . 1 . . . A 69 ALA HA . 25398 1 745 . 1 1 69 69 ALA HB1 H 1 1.414 0.000 . 1 . . . A 69 ALA HB1 . 25398 1 746 . 1 1 69 69 ALA HB2 H 1 1.414 0.000 . 1 . . . A 69 ALA HB1 . 25398 1 747 . 1 1 69 69 ALA HB3 H 1 1.414 0.000 . 1 . . . A 69 ALA HB1 . 25398 1 748 . 1 1 69 69 ALA C C 13 178.510 0.000 . 1 . . . A 69 ALA C . 25398 1 749 . 1 1 69 69 ALA CA C 13 55.930 0.000 . 1 . . . A 69 ALA CA . 25398 1 750 . 1 1 69 69 ALA CB C 13 18.230 0.000 . 1 . . . A 69 ALA CB . 25398 1 751 . 1 1 69 69 ALA N N 15 122.930 0.000 . 1 . . . A 69 ALA N . 25398 1 752 . 1 1 70 70 MET H H 1 8.044 0.000 . 1 . . . A 70 MET H . 25398 1 753 . 1 1 70 70 MET HA H 1 3.950 0.000 . 1 . . . A 70 MET HA . 25398 1 754 . 1 1 70 70 MET HB2 H 1 2.124 0.000 . 2 . . . A 70 MET HB2 . 25398 1 755 . 1 1 70 70 MET HB3 H 1 2.147 0.000 . 2 . . . A 70 MET HB3 . 25398 1 756 . 1 1 70 70 MET HG2 H 1 2.881 0.000 . 2 . . . A 70 MET HG2 . 25398 1 757 . 1 1 70 70 MET HG3 H 1 2.652 0.000 . 2 . . . A 70 MET HG3 . 25398 1 758 . 1 1 70 70 MET HE1 H 1 2.036 0.000 . 1 . . . A 70 MET HE1 . 25398 1 759 . 1 1 70 70 MET HE2 H 1 2.036 0.000 . 1 . . . A 70 MET HE1 . 25398 1 760 . 1 1 70 70 MET HE3 H 1 2.036 0.000 . 1 . . . A 70 MET HE1 . 25398 1 761 . 1 1 70 70 MET C C 13 177.385 0.000 . 1 . . . A 70 MET C . 25398 1 762 . 1 1 70 70 MET CA C 13 59.768 0.000 . 1 . . . A 70 MET CA . 25398 1 763 . 1 1 70 70 MET CB C 13 32.200 0.000 . 1 . . . A 70 MET CB . 25398 1 764 . 1 1 70 70 MET CG C 13 32.456 0.000 . 1 . . . A 70 MET CG . 25398 1 765 . 1 1 70 70 MET CE C 13 18.485 0.000 . 1 . . . A 70 MET CE . 25398 1 766 . 1 1 70 70 MET N N 15 116.149 0.000 . 1 . . . A 70 MET N . 25398 1 767 . 1 1 71 71 ALA H H 1 8.399 0.000 . 1 . . . A 71 ALA H . 25398 1 768 . 1 1 71 71 ALA HA H 1 3.692 0.000 . 1 . . . A 71 ALA HA . 25398 1 769 . 1 1 71 71 ALA HB1 H 1 1.204 0.000 . 1 . . . A 71 ALA HB1 . 25398 1 770 . 1 1 71 71 ALA HB2 H 1 1.204 0.000 . 1 . . . A 71 ALA HB1 . 25398 1 771 . 1 1 71 71 ALA HB3 H 1 1.204 0.000 . 1 . . . A 71 ALA HB1 . 25398 1 772 . 1 1 71 71 ALA CA C 13 55.395 0.000 . 1 . . . A 71 ALA CA . 25398 1 773 . 1 1 71 71 ALA CB C 13 18.189 0.000 . 1 . . . A 71 ALA CB . 25398 1 774 . 1 1 71 71 ALA N N 15 120.837 0.000 . 1 . . . A 71 ALA N . 25398 1 775 . 1 1 72 72 ALA H H 1 8.012 0.000 . 1 . . . A 72 ALA H . 25398 1 776 . 1 1 72 72 ALA HA H 1 3.829 0.000 . 1 . . . A 72 ALA HA . 25398 1 777 . 1 1 72 72 ALA HB1 H 1 1.266 0.000 . 1 . . . A 72 ALA HB1 . 25398 1 778 . 1 1 72 72 ALA HB2 H 1 1.266 0.000 . 1 . . . A 72 ALA HB1 . 25398 1 779 . 1 1 72 72 ALA HB3 H 1 1.266 0.000 . 1 . . . A 72 ALA HB1 . 25398 1 780 . 1 1 72 72 ALA C C 13 178.417 0.000 . 1 . . . A 72 ALA C . 25398 1 781 . 1 1 72 72 ALA CA C 13 55.186 0.000 . 1 . . . A 72 ALA CA . 25398 1 782 . 1 1 72 72 ALA CB C 13 18.260 0.000 . 1 . . . A 72 ALA CB . 25398 1 783 . 1 1 72 72 ALA N N 15 117.487 0.000 . 1 . . . A 72 ALA N . 25398 1 784 . 1 1 73 73 GLU H H 1 8.355 0.000 . 1 . . . A 73 GLU H . 25398 1 785 . 1 1 73 73 GLU HA H 1 3.938 0.000 . 1 . . . A 73 GLU HA . 25398 1 786 . 1 1 73 73 GLU HB2 H 1 2.030 0.000 . 2 . . . A 73 GLU HB2 . 25398 1 787 . 1 1 73 73 GLU HB3 H 1 2.262 0.000 . 2 . . . A 73 GLU HB3 . 25398 1 788 . 1 1 73 73 GLU HG2 H 1 2.631 0.000 . 2 . . . A 73 GLU HG2 . 25398 1 789 . 1 1 73 73 GLU HG3 H 1 2.181 0.000 . 2 . . . A 73 GLU HG3 . 25398 1 790 . 1 1 73 73 GLU CA C 13 59.854 0.000 . 1 . . . A 73 GLU CA . 25398 1 791 . 1 1 73 73 GLU CB C 13 28.927 0.000 . 1 . . . A 73 GLU CB . 25398 1 792 . 1 1 73 73 GLU CG C 13 35.462 0.000 . 1 . . . A 73 GLU CG . 25398 1 793 . 1 1 73 73 GLU N N 15 117.436 0.000 . 1 . . . A 73 GLU N . 25398 1 794 . 1 1 74 74 VAL H H 1 8.683 0.000 . 1 . . . A 74 VAL H . 25398 1 795 . 1 1 74 74 VAL HA H 1 3.464 0.000 . 1 . . . A 74 VAL HA . 25398 1 796 . 1 1 74 74 VAL HB H 1 2.140 0.000 . 1 . . . A 74 VAL HB . 25398 1 797 . 1 1 74 74 VAL HG11 H 1 1.073 0.000 . 2 . . . A 74 VAL HG11 . 25398 1 798 . 1 1 74 74 VAL HG12 H 1 1.073 0.000 . 2 . . . A 74 VAL HG11 . 25398 1 799 . 1 1 74 74 VAL HG13 H 1 1.073 0.000 . 2 . . . A 74 VAL HG11 . 25398 1 800 . 1 1 74 74 VAL HG21 H 1 0.775 0.000 . 2 . . . A 74 VAL HG21 . 25398 1 801 . 1 1 74 74 VAL HG22 H 1 0.775 0.000 . 2 . . . A 74 VAL HG21 . 25398 1 802 . 1 1 74 74 VAL HG23 H 1 0.775 0.000 . 2 . . . A 74 VAL HG21 . 25398 1 803 . 1 1 74 74 VAL CA C 13 66.943 0.000 . 1 . . . A 74 VAL CA . 25398 1 804 . 1 1 74 74 VAL CB C 13 31.393 0.000 . 1 . . . A 74 VAL CB . 25398 1 805 . 1 1 74 74 VAL CG1 C 13 24.793 0.000 . 2 . . . A 74 VAL CG1 . 25398 1 806 . 1 1 74 74 VAL CG2 C 13 22.628 0.000 . 2 . . . A 74 VAL CG2 . 25398 1 807 . 1 1 74 74 VAL N N 15 120.397 0.000 . 1 . . . A 74 VAL N . 25398 1 808 . 1 1 75 75 ALA H H 1 8.267 0.000 . 1 . . . A 75 ALA H . 25398 1 809 . 1 1 75 75 ALA HA H 1 3.794 0.000 . 1 . . . A 75 ALA HA . 25398 1 810 . 1 1 75 75 ALA HB1 H 1 1.383 0.000 . 1 . . . A 75 ALA HB1 . 25398 1 811 . 1 1 75 75 ALA HB2 H 1 1.383 0.000 . 1 . . . A 75 ALA HB1 . 25398 1 812 . 1 1 75 75 ALA HB3 H 1 1.383 0.000 . 1 . . . A 75 ALA HB1 . 25398 1 813 . 1 1 75 75 ALA CA C 13 54.920 0.000 . 1 . . . A 75 ALA CA . 25398 1 814 . 1 1 75 75 ALA CB C 13 20.452 0.000 . 1 . . . A 75 ALA CB . 25398 1 815 . 1 1 75 75 ALA N N 15 120.493 0.000 . 1 . . . A 75 ALA N . 25398 1 816 . 1 1 76 76 GLU H H 1 8.437 0.000 . 1 . . . A 76 GLU H . 25398 1 817 . 1 1 76 76 GLU HA H 1 4.093 0.000 . 1 . . . A 76 GLU HA . 25398 1 818 . 1 1 76 76 GLU HB2 H 1 2.144 0.000 . 2 . . . A 76 GLU HB2 . 25398 1 819 . 1 1 76 76 GLU HB3 H 1 2.042 0.000 . 2 . . . A 76 GLU HB3 . 25398 1 820 . 1 1 76 76 GLU HG2 H 1 2.379 0.000 . 2 . . . A 76 GLU HG2 . 25398 1 821 . 1 1 76 76 GLU HG3 H 1 2.516 0.000 . 2 . . . A 76 GLU HG3 . 25398 1 822 . 1 1 76 76 GLU CA C 13 58.476 0.000 . 1 . . . A 76 GLU CA . 25398 1 823 . 1 1 76 76 GLU CB C 13 30.559 0.000 . 1 . . . A 76 GLU CB . 25398 1 824 . 1 1 76 76 GLU CG C 13 32.176 0.000 . 1 . . . A 76 GLU CG . 25398 1 825 . 1 1 76 76 GLU N N 15 118.686 0.000 . 1 . . . A 76 GLU N . 25398 1 826 . 1 1 77 77 VAL H H 1 7.664 0.000 . 1 . . . A 77 VAL H . 25398 1 827 . 1 1 77 77 VAL HA H 1 3.580 0.000 . 1 . . . A 77 VAL HA . 25398 1 828 . 1 1 77 77 VAL HB H 1 2.432 0.000 . 1 . . . A 77 VAL HB . 25398 1 829 . 1 1 77 77 VAL HG11 H 1 1.102 0.000 . 2 . . . A 77 VAL HG11 . 25398 1 830 . 1 1 77 77 VAL HG12 H 1 1.102 0.000 . 2 . . . A 77 VAL HG11 . 25398 1 831 . 1 1 77 77 VAL HG13 H 1 1.102 0.000 . 2 . . . A 77 VAL HG11 . 25398 1 832 . 1 1 77 77 VAL HG21 H 1 0.780 0.000 . 2 . . . A 77 VAL HG21 . 25398 1 833 . 1 1 77 77 VAL HG22 H 1 0.780 0.000 . 2 . . . A 77 VAL HG21 . 25398 1 834 . 1 1 77 77 VAL HG23 H 1 0.780 0.000 . 2 . . . A 77 VAL HG21 . 25398 1 835 . 1 1 77 77 VAL C C 13 178.245 0.000 . 1 . . . A 77 VAL C . 25398 1 836 . 1 1 77 77 VAL CA C 13 66.934 0.000 . 1 . . . A 77 VAL CA . 25398 1 837 . 1 1 77 77 VAL CB C 13 31.138 0.000 . 1 . . . A 77 VAL CB . 25398 1 838 . 1 1 77 77 VAL CG1 C 13 23.839 0.000 . 2 . . . A 77 VAL CG1 . 25398 1 839 . 1 1 77 77 VAL CG2 C 13 21.513 0.000 . 2 . . . A 77 VAL CG2 . 25398 1 840 . 1 1 77 77 VAL N N 15 121.197 0.000 . 1 . . . A 77 VAL N . 25398 1 841 . 1 1 78 78 VAL H H 1 7.470 0.000 . 1 . . . A 78 VAL H . 25398 1 842 . 1 1 78 78 VAL HA H 1 3.197 0.000 . 1 . . . A 78 VAL HA . 25398 1 843 . 1 1 78 78 VAL HB H 1 2.234 0.000 . 1 . . . A 78 VAL HB . 25398 1 844 . 1 1 78 78 VAL HG11 H 1 0.796 0.000 . 2 . . . A 78 VAL HG11 . 25398 1 845 . 1 1 78 78 VAL HG12 H 1 0.796 0.000 . 2 . . . A 78 VAL HG11 . 25398 1 846 . 1 1 78 78 VAL HG13 H 1 0.796 0.000 . 2 . . . A 78 VAL HG11 . 25398 1 847 . 1 1 78 78 VAL HG21 H 1 0.571 0.000 . 2 . . . A 78 VAL HG21 . 25398 1 848 . 1 1 78 78 VAL HG22 H 1 0.571 0.000 . 2 . . . A 78 VAL HG21 . 25398 1 849 . 1 1 78 78 VAL HG23 H 1 0.571 0.000 . 2 . . . A 78 VAL HG21 . 25398 1 850 . 1 1 78 78 VAL C C 13 179.198 0.000 . 1 . . . A 78 VAL C . 25398 1 851 . 1 1 78 78 VAL CA C 13 66.509 0.000 . 1 . . . A 78 VAL CA . 25398 1 852 . 1 1 78 78 VAL CB C 13 31.329 0.000 . 1 . . . A 78 VAL CB . 25398 1 853 . 1 1 78 78 VAL CG1 C 13 21.901 0.000 . 2 . . . A 78 VAL CG1 . 25398 1 854 . 1 1 78 78 VAL CG2 C 13 22.356 0.000 . 2 . . . A 78 VAL CG2 . 25398 1 855 . 1 1 78 78 VAL N N 15 117.874 0.000 . 1 . . . A 78 VAL N . 25398 1 856 . 1 1 79 79 ALA H H 1 8.857 0.000 . 1 . . . A 79 ALA H . 25398 1 857 . 1 1 79 79 ALA HA H 1 4.291 0.000 . 1 . . . A 79 ALA HA . 25398 1 858 . 1 1 79 79 ALA HB1 H 1 1.453 0.000 . 1 . . . A 79 ALA HB1 . 25398 1 859 . 1 1 79 79 ALA HB2 H 1 1.453 0.000 . 1 . . . A 79 ALA HB1 . 25398 1 860 . 1 1 79 79 ALA HB3 H 1 1.453 0.000 . 1 . . . A 79 ALA HB1 . 25398 1 861 . 1 1 79 79 ALA C C 13 178.198 0.000 . 1 . . . A 79 ALA C . 25398 1 862 . 1 1 79 79 ALA CA C 13 54.916 0.000 . 1 . . . A 79 ALA CA . 25398 1 863 . 1 1 79 79 ALA CB C 13 19.625 0.000 . 1 . . . A 79 ALA CB . 25398 1 864 . 1 1 79 79 ALA N N 15 119.957 0.000 . 1 . . . A 79 ALA N . 25398 1 865 . 1 1 80 80 THR H H 1 7.507 0.000 . 1 . . . A 80 THR H . 25398 1 866 . 1 1 80 80 THR HA H 1 4.469 0.000 . 1 . . . A 80 THR HA . 25398 1 867 . 1 1 80 80 THR HB H 1 4.486 0.000 . 1 . . . A 80 THR HB . 25398 1 868 . 1 1 80 80 THR HG21 H 1 1.261 0.000 . 1 . . . A 80 THR HG21 . 25398 1 869 . 1 1 80 80 THR HG22 H 1 1.261 0.000 . 1 . . . A 80 THR HG21 . 25398 1 870 . 1 1 80 80 THR HG23 H 1 1.261 0.000 . 1 . . . A 80 THR HG21 . 25398 1 871 . 1 1 80 80 THR C C 13 174.336 0.000 . 1 . . . A 80 THR C . 25398 1 872 . 1 1 80 80 THR CA C 13 61.159 0.000 . 1 . . . A 80 THR CA . 25398 1 873 . 1 1 80 80 THR CB C 13 70.214 0.000 . 1 . . . A 80 THR CB . 25398 1 874 . 1 1 80 80 THR CG2 C 13 21.780 0.000 . 1 . . . A 80 THR CG2 . 25398 1 875 . 1 1 80 80 THR N N 15 106.022 0.000 . 1 . . . A 80 THR N . 25398 1 876 . 1 1 81 81 SER H H 1 7.694 0.000 . 1 . . . A 81 SER H . 25398 1 877 . 1 1 81 81 SER HA H 1 4.568 0.000 . 1 . . . A 81 SER HA . 25398 1 878 . 1 1 81 81 SER HB2 H 1 3.822 0.000 . 2 . . . A 81 SER HB2 . 25398 1 879 . 1 1 81 81 SER HB3 H 1 3.822 0.000 . 2 . . . A 81 SER HB3 . 25398 1 880 . 1 1 81 81 SER HG H 1 5.716 0.000 . 1 . . . A 81 SER HG . 25398 1 881 . 1 1 81 81 SER C C 13 171.194 0.000 . 1 . . . A 81 SER C . 25398 1 882 . 1 1 81 81 SER CA C 13 58.175 0.000 . 1 . . . A 81 SER CA . 25398 1 883 . 1 1 81 81 SER CB C 13 63.337 0.000 . 1 . . . A 81 SER CB . 25398 1 884 . 1 1 81 81 SER N N 15 119.147 0.000 . 1 . . . A 81 SER N . 25398 1 885 . 1 1 82 82 PRO HA H 1 4.778 0.000 . 1 . . . A 82 PRO HA . 25398 1 886 . 1 1 82 82 PRO HB2 H 1 2.482 0.000 . 2 . . . A 82 PRO HB2 . 25398 1 887 . 1 1 82 82 PRO HB3 H 1 1.921 0.000 . 2 . . . A 82 PRO HB3 . 25398 1 888 . 1 1 82 82 PRO HG2 H 1 2.182 0.000 . 2 . . . A 82 PRO HG2 . 25398 1 889 . 1 1 82 82 PRO HG3 H 1 2.104 0.000 . 2 . . . A 82 PRO HG3 . 25398 1 890 . 1 1 82 82 PRO HD2 H 1 3.789 0.000 . 2 . . . A 82 PRO HD2 . 25398 1 891 . 1 1 82 82 PRO HD3 H 1 3.617 0.000 . 2 . . . A 82 PRO HD3 . 25398 1 892 . 1 1 82 82 PRO CA C 13 59.767 0.000 . 1 . . . A 82 PRO CA . 25398 1 893 . 1 1 82 82 PRO CB C 13 31.073 0.000 . 1 . . . A 82 PRO CB . 25398 1 894 . 1 1 82 82 PRO CG C 13 28.106 0.000 . 1 . . . A 82 PRO CG . 25398 1 895 . 1 1 82 82 PRO CD C 13 50.512 0.000 . 1 . . . A 82 PRO CD . 25398 1 896 . 1 1 83 83 PRO HA H 1 4.247 0.000 . 1 . . . A 83 PRO HA . 25398 1 897 . 1 1 83 83 PRO HB2 H 1 2.361 0.000 . 2 . . . A 83 PRO HB2 . 25398 1 898 . 1 1 83 83 PRO HB3 H 1 1.979 0.000 . 2 . . . A 83 PRO HB3 . 25398 1 899 . 1 1 83 83 PRO HG2 H 1 2.098 0.000 . 2 . . . A 83 PRO HG2 . 25398 1 900 . 1 1 83 83 PRO HG3 H 1 2.182 0.000 . 2 . . . A 83 PRO HG3 . 25398 1 901 . 1 1 83 83 PRO HD2 H 1 3.840 0.000 . 2 . . . A 83 PRO HD2 . 25398 1 902 . 1 1 83 83 PRO HD3 H 1 3.891 0.000 . 2 . . . A 83 PRO HD3 . 25398 1 903 . 1 1 83 83 PRO CA C 13 65.837 0.000 . 1 . . . A 83 PRO CA . 25398 1 904 . 1 1 83 83 PRO CB C 13 31.927 0.000 . 1 . . . A 83 PRO CB . 25398 1 905 . 1 1 83 83 PRO CG C 13 27.776 0.000 . 1 . . . A 83 PRO CG . 25398 1 906 . 1 1 83 83 PRO CD C 13 50.271 0.000 . 1 . . . A 83 PRO CD . 25398 1 907 . 1 1 84 84 GLN H H 1 9.183 0.000 . 1 . . . A 84 GLN H . 25398 1 908 . 1 1 84 84 GLN HA H 1 4.286 0.000 . 1 . . . A 84 GLN HA . 25398 1 909 . 1 1 84 84 GLN HB2 H 1 2.155 0.000 . 2 . . . A 84 GLN HB2 . 25398 1 910 . 1 1 84 84 GLN HB3 H 1 2.155 0.000 . 2 . . . A 84 GLN HB3 . 25398 1 911 . 1 1 84 84 GLN HG2 H 1 2.558 0.000 . 2 . . . A 84 GLN HG2 . 25398 1 912 . 1 1 84 84 GLN HG3 H 1 2.481 0.000 . 2 . . . A 84 GLN HG3 . 25398 1 913 . 1 1 84 84 GLN HE21 H 1 7.648 0.000 . 2 . . . A 84 GLN HE21 . 25398 1 914 . 1 1 84 84 GLN HE22 H 1 6.958 0.000 . 2 . . . A 84 GLN HE22 . 25398 1 915 . 1 1 84 84 GLN C C 13 176.713 0.000 . 1 . . . A 84 GLN C . 25398 1 916 . 1 1 84 84 GLN CA C 13 58.207 0.000 . 1 . . . A 84 GLN CA . 25398 1 917 . 1 1 84 84 GLN CB C 13 27.529 0.000 . 1 . . . A 84 GLN CB . 25398 1 918 . 1 1 84 84 GLN CG C 13 33.543 0.000 . 1 . . . A 84 GLN CG . 25398 1 919 . 1 1 84 84 GLN N N 15 114.700 0.000 . 1 . . . A 84 GLN N . 25398 1 920 . 1 1 84 84 GLN NE2 N 15 111.946 0.000 . 1 . . . A 84 GLN NE2 . 25398 1 921 . 1 1 85 85 SER H H 1 7.936 0.000 . 1 . . . A 85 SER H . 25398 1 922 . 1 1 85 85 SER HA H 1 4.913 0.000 . 1 . . . A 85 SER HA . 25398 1 923 . 1 1 85 85 SER HB2 H 1 4.016 0.000 . 2 . . . A 85 SER HB2 . 25398 1 924 . 1 1 85 85 SER HB3 H 1 3.890 0.000 . 2 . . . A 85 SER HB3 . 25398 1 925 . 1 1 85 85 SER C C 13 173.132 0.000 . 1 . . . A 85 SER C . 25398 1 926 . 1 1 85 85 SER CA C 13 58.166 0.000 . 1 . . . A 85 SER CA . 25398 1 927 . 1 1 85 85 SER CB C 13 64.688 0.000 . 1 . . . A 85 SER CB . 25398 1 928 . 1 1 85 85 SER N N 15 113.671 0.000 . 1 . . . A 85 SER N . 25398 1 929 . 1 1 86 86 TYR H H 1 7.394 0.000 . 1 . . . A 86 TYR H . 25398 1 930 . 1 1 86 86 TYR HA H 1 3.867 0.000 . 1 . . . A 86 TYR HA . 25398 1 931 . 1 1 86 86 TYR HB2 H 1 3.035 0.000 . 2 . . . A 86 TYR HB2 . 25398 1 932 . 1 1 86 86 TYR HB3 H 1 2.991 0.000 . 2 . . . A 86 TYR HB3 . 25398 1 933 . 1 1 86 86 TYR HD1 H 1 7.003 0.000 . 3 . . . A 86 TYR HD1 . 25398 1 934 . 1 1 86 86 TYR HD2 H 1 7.003 0.000 . 3 . . . A 86 TYR HD2 . 25398 1 935 . 1 1 86 86 TYR HE1 H 1 6.622 0.000 . 3 . . . A 86 TYR HE1 . 25398 1 936 . 1 1 86 86 TYR HE2 H 1 6.622 0.000 . 3 . . . A 86 TYR HE2 . 25398 1 937 . 1 1 86 86 TYR C C 13 175.634 0.000 . 1 . . . A 86 TYR C . 25398 1 938 . 1 1 86 86 TYR CA C 13 62.815 0.000 . 1 . . . A 86 TYR CA . 25398 1 939 . 1 1 86 86 TYR CB C 13 39.296 0.000 . 1 . . . A 86 TYR CB . 25398 1 940 . 1 1 86 86 TYR CD1 C 13 132.812 0.000 . 3 . . . A 86 TYR CD1 . 25398 1 941 . 1 1 86 86 TYR CD2 C 13 132.812 0.000 . 3 . . . A 86 TYR CD2 . 25398 1 942 . 1 1 86 86 TYR CE1 C 13 117.801 0.000 . 3 . . . A 86 TYR CE1 . 25398 1 943 . 1 1 86 86 TYR CE2 C 13 117.801 0.000 . 3 . . . A 86 TYR CE2 . 25398 1 944 . 1 1 86 86 TYR N N 15 123.307 0.000 . 1 . . . A 86 TYR N . 25398 1 945 . 1 1 87 87 SER H H 1 8.963 0.000 . 1 . . . A 87 SER H . 25398 1 946 . 1 1 87 87 SER HA H 1 3.940 0.000 . 1 . . . A 87 SER HA . 25398 1 947 . 1 1 87 87 SER HB2 H 1 3.928 0.000 . 2 . . . A 87 SER HB2 . 25398 1 948 . 1 1 87 87 SER HB3 H 1 3.928 0.000 . 2 . . . A 87 SER HB3 . 25398 1 949 . 1 1 87 87 SER CA C 13 62.424 0.000 . 1 . . . A 87 SER CA . 25398 1 950 . 1 1 87 87 SER CB C 13 62.269 0.000 . 1 . . . A 87 SER CB . 25398 1 951 . 1 1 87 87 SER N N 15 113.260 0.000 . 1 . . . A 87 SER N . 25398 1 952 . 1 1 88 88 ALA H H 1 8.009 0.000 . 1 . . . A 88 ALA H . 25398 1 953 . 1 1 88 88 ALA HA H 1 4.224 0.000 . 1 . . . A 88 ALA HA . 25398 1 954 . 1 1 88 88 ALA HB1 H 1 1.477 0.000 . 1 . . . A 88 ALA HB1 . 25398 1 955 . 1 1 88 88 ALA HB2 H 1 1.477 0.000 . 1 . . . A 88 ALA HB1 . 25398 1 956 . 1 1 88 88 ALA HB3 H 1 1.477 0.000 . 1 . . . A 88 ALA HB1 . 25398 1 957 . 1 1 88 88 ALA C C 13 181.186 0.000 . 1 . . . A 88 ALA C . 25398 1 958 . 1 1 88 88 ALA CA C 13 55.113 0.000 . 1 . . . A 88 ALA CA . 25398 1 959 . 1 1 88 88 ALA CB C 13 18.025 0.000 . 1 . . . A 88 ALA CB . 25398 1 960 . 1 1 88 88 ALA N N 15 125.030 0.000 . 1 . . . A 88 ALA N . 25398 1 961 . 1 1 89 89 VAL H H 1 8.764 0.000 . 1 . . . A 89 VAL H . 25398 1 962 . 1 1 89 89 VAL HA H 1 3.271 0.000 . 1 . . . A 89 VAL HA . 25398 1 963 . 1 1 89 89 VAL HB H 1 2.146 0.000 . 1 . . . A 89 VAL HB . 25398 1 964 . 1 1 89 89 VAL HG11 H 1 1.069 0.000 . 2 . . . A 89 VAL HG11 . 25398 1 965 . 1 1 89 89 VAL HG12 H 1 1.069 0.000 . 2 . . . A 89 VAL HG11 . 25398 1 966 . 1 1 89 89 VAL HG13 H 1 1.069 0.000 . 2 . . . A 89 VAL HG11 . 25398 1 967 . 1 1 89 89 VAL HG21 H 1 0.698 0.000 . 2 . . . A 89 VAL HG21 . 25398 1 968 . 1 1 89 89 VAL HG22 H 1 0.698 0.000 . 2 . . . A 89 VAL HG21 . 25398 1 969 . 1 1 89 89 VAL HG23 H 1 0.698 0.000 . 2 . . . A 89 VAL HG21 . 25398 1 970 . 1 1 89 89 VAL C C 13 177.432 0.000 . 1 . . . A 89 VAL C . 25398 1 971 . 1 1 89 89 VAL CA C 13 67.421 0.000 . 1 . . . A 89 VAL CA . 25398 1 972 . 1 1 89 89 VAL CB C 13 31.249 0.000 . 1 . . . A 89 VAL CB . 25398 1 973 . 1 1 89 89 VAL CG1 C 13 24.006 0.000 . 2 . . . A 89 VAL CG1 . 25398 1 974 . 1 1 89 89 VAL CG2 C 13 22.376 0.000 . 2 . . . A 89 VAL CG2 . 25398 1 975 . 1 1 89 89 VAL N N 15 122.101 0.000 . 1 . . . A 89 VAL N . 25398 1 976 . 1 1 90 90 LEU H H 1 8.584 0.000 . 1 . . . A 90 LEU H . 25398 1 977 . 1 1 90 90 LEU HA H 1 3.649 0.000 . 1 . . . A 90 LEU HA . 25398 1 978 . 1 1 90 90 LEU HB2 H 1 0.957 0.000 . 2 . . . A 90 LEU HB2 . 25398 1 979 . 1 1 90 90 LEU HB3 H 1 1.724 0.000 . 2 . . . A 90 LEU HB3 . 25398 1 980 . 1 1 90 90 LEU HG H 1 1.403 0.000 . 1 . . . A 90 LEU HG . 25398 1 981 . 1 1 90 90 LEU HD11 H 1 0.831 0.000 . 2 . . . A 90 LEU HD11 . 25398 1 982 . 1 1 90 90 LEU HD12 H 1 0.831 0.000 . 2 . . . A 90 LEU HD11 . 25398 1 983 . 1 1 90 90 LEU HD13 H 1 0.831 0.000 . 2 . . . A 90 LEU HD11 . 25398 1 984 . 1 1 90 90 LEU HD21 H 1 0.848 0.000 . 2 . . . A 90 LEU HD21 . 25398 1 985 . 1 1 90 90 LEU HD22 H 1 0.848 0.000 . 2 . . . A 90 LEU HD21 . 25398 1 986 . 1 1 90 90 LEU HD23 H 1 0.848 0.000 . 2 . . . A 90 LEU HD21 . 25398 1 987 . 1 1 90 90 LEU CA C 13 59.009 0.000 . 1 . . . A 90 LEU CA . 25398 1 988 . 1 1 90 90 LEU CB C 13 41.240 0.000 . 1 . . . A 90 LEU CB . 25398 1 989 . 1 1 90 90 LEU CG C 13 27.251 0.000 . 1 . . . A 90 LEU CG . 25398 1 990 . 1 1 90 90 LEU CD1 C 13 24.010 0.000 . 2 . . . A 90 LEU CD1 . 25398 1 991 . 1 1 90 90 LEU CD2 C 13 25.681 0.000 . 2 . . . A 90 LEU CD2 . 25398 1 992 . 1 1 90 90 LEU N N 15 121.259 0.000 . 1 . . . A 90 LEU N . 25398 1 993 . 1 1 91 91 ASN H H 1 8.278 0.000 . 1 . . . A 91 ASN H . 25398 1 994 . 1 1 91 91 ASN HA H 1 4.364 0.000 . 1 . . . A 91 ASN HA . 25398 1 995 . 1 1 91 91 ASN HB2 H 1 2.869 0.000 . 2 . . . A 91 ASN HB2 . 25398 1 996 . 1 1 91 91 ASN HB3 H 1 2.801 0.000 . 2 . . . A 91 ASN HB3 . 25398 1 997 . 1 1 91 91 ASN HD21 H 1 6.897 0.000 . 2 . . . A 91 ASN HD21 . 25398 1 998 . 1 1 91 91 ASN HD22 H 1 7.598 0.000 . 2 . . . A 91 ASN HD22 . 25398 1 999 . 1 1 91 91 ASN CA C 13 56.558 0.000 . 1 . . . A 91 ASN CA . 25398 1 1000 . 1 1 91 91 ASN CB C 13 38.472 0.000 . 1 . . . A 91 ASN CB . 25398 1 1001 . 1 1 91 91 ASN N N 15 117.398 0.000 . 1 . . . A 91 ASN N . 25398 1 1002 . 1 1 91 91 ASN ND2 N 15 112.786 0.000 . 1 . . . A 91 ASN ND2 . 25398 1 1003 . 1 1 92 92 THR H H 1 8.361 0.000 . 1 . . . A 92 THR H . 25398 1 1004 . 1 1 92 92 THR HA H 1 3.959 0.000 . 1 . . . A 92 THR HA . 25398 1 1005 . 1 1 92 92 THR HB H 1 4.187 0.000 . 1 . . . A 92 THR HB . 25398 1 1006 . 1 1 92 92 THR HG1 H 1 5.119 0.000 . 1 . . . A 92 THR HG1 . 25398 1 1007 . 1 1 92 92 THR HG21 H 1 1.219 0.000 . 1 . . . A 92 THR HG21 . 25398 1 1008 . 1 1 92 92 THR HG22 H 1 1.219 0.000 . 1 . . . A 92 THR HG21 . 25398 1 1009 . 1 1 92 92 THR HG23 H 1 1.219 0.000 . 1 . . . A 92 THR HG21 . 25398 1 1010 . 1 1 92 92 THR C C 13 173.758 0.000 . 1 . . . A 92 THR C . 25398 1 1011 . 1 1 92 92 THR CA C 13 67.413 0.000 . 1 . . . A 92 THR CA . 25398 1 1012 . 1 1 92 92 THR CB C 13 68.823 0.000 . 1 . . . A 92 THR CB . 25398 1 1013 . 1 1 92 92 THR CG2 C 13 20.420 0.000 . 1 . . . A 92 THR CG2 . 25398 1 1014 . 1 1 92 92 THR N N 15 119.126 0.000 . 1 . . . A 92 THR N . 25398 1 1015 . 1 1 93 93 ILE H H 1 9.086 0.000 . 1 . . . A 93 ILE H . 25398 1 1016 . 1 1 93 93 ILE HA H 1 3.544 0.000 . 1 . . . A 93 ILE HA . 25398 1 1017 . 1 1 93 93 ILE HB H 1 2.040 0.000 . 1 . . . A 93 ILE HB . 25398 1 1018 . 1 1 93 93 ILE HG12 H 1 1.110 0.000 . 2 . . . A 93 ILE HG12 . 25398 1 1019 . 1 1 93 93 ILE HG13 H 1 1.585 0.000 . 2 . . . A 93 ILE HG13 . 25398 1 1020 . 1 1 93 93 ILE HG21 H 1 0.592 0.000 . 1 . . . A 93 ILE HG21 . 25398 1 1021 . 1 1 93 93 ILE HG22 H 1 0.592 0.000 . 1 . . . A 93 ILE HG21 . 25398 1 1022 . 1 1 93 93 ILE HG23 H 1 0.592 0.000 . 1 . . . A 93 ILE HG21 . 25398 1 1023 . 1 1 93 93 ILE HD11 H 1 0.589 0.000 . 1 . . . A 93 ILE HD11 . 25398 1 1024 . 1 1 93 93 ILE HD12 H 1 0.589 0.000 . 1 . . . A 93 ILE HD11 . 25398 1 1025 . 1 1 93 93 ILE HD13 H 1 0.589 0.000 . 1 . . . A 93 ILE HD11 . 25398 1 1026 . 1 1 93 93 ILE C C 13 177.838 0.000 . 1 . . . A 93 ILE C . 25398 1 1027 . 1 1 93 93 ILE CA C 13 62.589 0.000 . 1 . . . A 93 ILE CA . 25398 1 1028 . 1 1 93 93 ILE CB C 13 34.380 0.000 . 1 . . . A 93 ILE CB . 25398 1 1029 . 1 1 93 93 ILE CG1 C 13 28.364 0.000 . 1 . . . A 93 ILE CG1 . 25398 1 1030 . 1 1 93 93 ILE CG2 C 13 16.654 0.000 . 1 . . . A 93 ILE CG2 . 25398 1 1031 . 1 1 93 93 ILE CD1 C 13 8.965 0.000 . 1 . . . A 93 ILE CD1 . 25398 1 1032 . 1 1 93 93 ILE N N 15 122.500 0.000 . 1 . . . A 93 ILE N . 25398 1 1033 . 1 1 94 94 GLY H H 1 8.491 0.000 . 1 . . . A 94 GLY H . 25398 1 1034 . 1 1 94 94 GLY HA2 H 1 3.571 0.000 . 2 . . . A 94 GLY HA2 . 25398 1 1035 . 1 1 94 94 GLY HA3 H 1 4.050 0.000 . 2 . . . A 94 GLY HA3 . 25398 1 1036 . 1 1 94 94 GLY C C 13 175.790 0.000 . 1 . . . A 94 GLY C . 25398 1 1037 . 1 1 94 94 GLY CA C 13 47.816 0.000 . 1 . . . A 94 GLY CA . 25398 1 1038 . 1 1 94 94 GLY N N 15 107.378 0.000 . 1 . . . A 94 GLY N . 25398 1 1039 . 1 1 95 95 ALA H H 1 8.014 0.000 . 1 . . . A 95 ALA H . 25398 1 1040 . 1 1 95 95 ALA HA H 1 4.186 0.000 . 1 . . . A 95 ALA HA . 25398 1 1041 . 1 1 95 95 ALA HB1 H 1 1.514 0.000 . 1 . . . A 95 ALA HB1 . 25398 1 1042 . 1 1 95 95 ALA HB2 H 1 1.514 0.000 . 1 . . . A 95 ALA HB1 . 25398 1 1043 . 1 1 95 95 ALA HB3 H 1 1.514 0.000 . 1 . . . A 95 ALA HB1 . 25398 1 1044 . 1 1 95 95 ALA C C 13 178.542 0.000 . 1 . . . A 95 ALA C . 25398 1 1045 . 1 1 95 95 ALA CA C 13 55.439 0.000 . 1 . . . A 95 ALA CA . 25398 1 1046 . 1 1 95 95 ALA CB C 13 18.001 0.000 . 1 . . . A 95 ALA CB . 25398 1 1047 . 1 1 95 95 ALA N N 15 124.597 0.000 . 1 . . . A 95 ALA N . 25398 1 1048 . 1 1 96 96 CYS H H 1 9.036 0.000 . 1 . . . A 96 CYS H . 25398 1 1049 . 1 1 96 96 CYS HA H 1 4.634 0.000 . 1 . . . A 96 CYS HA . 25398 1 1050 . 1 1 96 96 CYS HB2 H 1 2.890 0.000 . 2 . . . A 96 CYS HB2 . 25398 1 1051 . 1 1 96 96 CYS HB3 H 1 2.954 0.000 . 2 . . . A 96 CYS HB3 . 25398 1 1052 . 1 1 96 96 CYS C C 13 178.542 0.000 . 1 . . . A 96 CYS C . 25398 1 1053 . 1 1 96 96 CYS CA C 13 56.086 0.000 . 1 . . . A 96 CYS CA . 25398 1 1054 . 1 1 96 96 CYS CB C 13 37.388 0.000 . 1 . . . A 96 CYS CB . 25398 1 1055 . 1 1 96 96 CYS N N 15 116.167 0.000 . 1 . . . A 96 CYS N . 25398 1 1056 . 1 1 97 97 LEU H H 1 9.239 0.000 . 1 . . . A 97 LEU H . 25398 1 1057 . 1 1 97 97 LEU HA H 1 4.005 0.000 . 1 . . . A 97 LEU HA . 25398 1 1058 . 1 1 97 97 LEU HB2 H 1 2.038 0.000 . 2 . . . A 97 LEU HB2 . 25398 1 1059 . 1 1 97 97 LEU HB3 H 1 1.603 0.000 . 2 . . . A 97 LEU HB3 . 25398 1 1060 . 1 1 97 97 LEU HG H 1 1.819 0.000 . 1 . . . A 97 LEU HG . 25398 1 1061 . 1 1 97 97 LEU HD11 H 1 0.909 0.000 . 2 . . . A 97 LEU HD11 . 25398 1 1062 . 1 1 97 97 LEU HD12 H 1 0.909 0.000 . 2 . . . A 97 LEU HD11 . 25398 1 1063 . 1 1 97 97 LEU HD13 H 1 0.909 0.000 . 2 . . . A 97 LEU HD11 . 25398 1 1064 . 1 1 97 97 LEU HD21 H 1 0.955 0.000 . 2 . . . A 97 LEU HD21 . 25398 1 1065 . 1 1 97 97 LEU HD22 H 1 0.955 0.000 . 2 . . . A 97 LEU HD21 . 25398 1 1066 . 1 1 97 97 LEU HD23 H 1 0.955 0.000 . 2 . . . A 97 LEU HD21 . 25398 1 1067 . 1 1 97 97 LEU C C 13 177.400 0.000 . 1 . . . A 97 LEU C . 25398 1 1068 . 1 1 97 97 LEU CA C 13 59.008 0.000 . 1 . . . A 97 LEU CA . 25398 1 1069 . 1 1 97 97 LEU CB C 13 41.806 0.000 . 1 . . . A 97 LEU CB . 25398 1 1070 . 1 1 97 97 LEU CG C 13 27.059 0.000 . 1 . . . A 97 LEU CG . 25398 1 1071 . 1 1 97 97 LEU CD1 C 13 25.814 0.000 . 2 . . . A 97 LEU CD1 . 25398 1 1072 . 1 1 97 97 LEU CD2 C 13 25.343 0.000 . 2 . . . A 97 LEU CD2 . 25398 1 1073 . 1 1 97 97 LEU N N 15 126.837 0.000 . 1 . . . A 97 LEU N . 25398 1 1074 . 1 1 98 98 ARG H H 1 7.384 0.000 . 1 . . . A 98 ARG H . 25398 1 1075 . 1 1 98 98 ARG HA H 1 3.946 0.000 . 1 . . . A 98 ARG HA . 25398 1 1076 . 1 1 98 98 ARG HB2 H 1 1.928 0.000 . 2 . . . A 98 ARG HB2 . 25398 1 1077 . 1 1 98 98 ARG HB3 H 1 1.961 0.000 . 2 . . . A 98 ARG HB3 . 25398 1 1078 . 1 1 98 98 ARG HG2 H 1 1.494 0.000 . 2 . . . A 98 ARG HG2 . 25398 1 1079 . 1 1 98 98 ARG HG3 H 1 1.817 0.000 . 2 . . . A 98 ARG HG3 . 25398 1 1080 . 1 1 98 98 ARG HD2 H 1 3.240 0.000 . 2 . . . A 98 ARG HD2 . 25398 1 1081 . 1 1 98 98 ARG HD3 H 1 3.240 0.000 . 2 . . . A 98 ARG HD3 . 25398 1 1082 . 1 1 98 98 ARG HE H 1 7.397 0.000 . 1 . . . A 98 ARG HE . 25398 1 1083 . 1 1 98 98 ARG C C 13 177.932 0.000 . 1 . . . A 98 ARG C . 25398 1 1084 . 1 1 98 98 ARG CA C 13 60.651 0.000 . 1 . . . A 98 ARG CA . 25398 1 1085 . 1 1 98 98 ARG CB C 13 30.071 0.000 . 1 . . . A 98 ARG CB . 25398 1 1086 . 1 1 98 98 ARG CG C 13 28.327 0.000 . 1 . . . A 98 ARG CG . 25398 1 1087 . 1 1 98 98 ARG CD C 13 43.345 0.000 . 1 . . . A 98 ARG CD . 25398 1 1088 . 1 1 98 98 ARG N N 15 118.714 0.000 . 1 . . . A 98 ARG N . 25398 1 1089 . 1 1 98 98 ARG NE N 15 83.715 0.000 . 1 . . . A 98 ARG NE . 25398 1 1090 . 1 1 99 99 GLU H H 1 8.287 0.000 . 1 . . . A 99 GLU H . 25398 1 1091 . 1 1 99 99 GLU HA H 1 3.970 0.000 . 1 . . . A 99 GLU HA . 25398 1 1092 . 1 1 99 99 GLU HB2 H 1 2.042 0.000 . 2 . . . A 99 GLU HB2 . 25398 1 1093 . 1 1 99 99 GLU HB3 H 1 2.131 0.000 . 2 . . . A 99 GLU HB3 . 25398 1 1094 . 1 1 99 99 GLU HG2 H 1 2.309 0.000 . 2 . . . A 99 GLU HG2 . 25398 1 1095 . 1 1 99 99 GLU HG3 H 1 2.159 0.000 . 2 . . . A 99 GLU HG3 . 25398 1 1096 . 1 1 99 99 GLU CA C 13 59.616 0.000 . 1 . . . A 99 GLU CA . 25398 1 1097 . 1 1 99 99 GLU CB C 13 30.318 0.000 . 1 . . . A 99 GLU CB . 25398 1 1098 . 1 1 99 99 GLU CG C 13 36.277 0.000 . 1 . . . A 99 GLU CG . 25398 1 1099 . 1 1 99 99 GLU N N 15 117.558 0.000 . 1 . . . A 99 GLU N . 25398 1 1100 . 1 1 100 100 SER H H 1 8.451 0.000 . 1 . . . A 100 SER H . 25398 1 1101 . 1 1 100 100 SER HA H 1 4.245 0.000 . 1 . . . A 100 SER HA . 25398 1 1102 . 1 1 100 100 SER HB2 H 1 4.112 0.000 . 2 . . . A 100 SER HB2 . 25398 1 1103 . 1 1 100 100 SER HB3 H 1 4.112 0.000 . 2 . . . A 100 SER HB3 . 25398 1 1104 . 1 1 100 100 SER HG H 1 4.610 0.000 . 1 . . . A 100 SER HG . 25398 1 1105 . 1 1 100 100 SER CA C 13 62.734 0.000 . 1 . . . A 100 SER CA . 25398 1 1106 . 1 1 100 100 SER CB C 13 63.101 0.000 . 1 . . . A 100 SER CB . 25398 1 1107 . 1 1 100 100 SER N N 15 114.862 0.000 . 1 . . . A 100 SER N . 25398 1 1108 . 1 1 101 101 MET H H 1 8.094 0.000 . 1 . . . A 101 MET H . 25398 1 1109 . 1 1 101 101 MET HA H 1 3.950 0.000 . 1 . . . A 101 MET HA . 25398 1 1110 . 1 1 101 101 MET HB2 H 1 2.296 0.000 . 2 . . . A 101 MET HB2 . 25398 1 1111 . 1 1 101 101 MET HB3 H 1 2.296 0.000 . 2 . . . A 101 MET HB3 . 25398 1 1112 . 1 1 101 101 MET HG2 H 1 2.544 0.000 . 2 . . . A 101 MET HG2 . 25398 1 1113 . 1 1 101 101 MET HG3 H 1 2.939 0.000 . 2 . . . A 101 MET HG3 . 25398 1 1114 . 1 1 101 101 MET HE1 H 1 1.684 0.000 . 1 . . . A 101 MET HE1 . 25398 1 1115 . 1 1 101 101 MET HE2 H 1 1.684 0.000 . 1 . . . A 101 MET HE1 . 25398 1 1116 . 1 1 101 101 MET HE3 H 1 1.684 0.000 . 1 . . . A 101 MET HE1 . 25398 1 1117 . 1 1 101 101 MET CA C 13 60.877 0.000 . 1 . . . A 101 MET CA . 25398 1 1118 . 1 1 101 101 MET CB C 13 33.593 0.000 . 1 . . . A 101 MET CB . 25398 1 1119 . 1 1 101 101 MET CG C 13 34.690 0.000 . 1 . . . A 101 MET CG . 25398 1 1120 . 1 1 101 101 MET CE C 13 17.229 0.000 . 1 . . . A 101 MET CE . 25398 1 1121 . 1 1 101 101 MET N N 15 122.058 0.000 . 1 . . . A 101 MET N . 25398 1 1122 . 1 1 102 102 MET H H 1 8.222 0.000 . 1 . . . A 102 MET H . 25398 1 1123 . 1 1 102 102 MET HA H 1 4.040 0.000 . 1 . . . A 102 MET HA . 25398 1 1124 . 1 1 102 102 MET HB2 H 1 2.036 0.000 . 2 . . . A 102 MET HB2 . 25398 1 1125 . 1 1 102 102 MET HB3 H 1 2.149 0.000 . 2 . . . A 102 MET HB3 . 25398 1 1126 . 1 1 102 102 MET HG2 H 1 2.500 0.000 . 2 . . . A 102 MET HG2 . 25398 1 1127 . 1 1 102 102 MET HG3 H 1 2.432 0.000 . 2 . . . A 102 MET HG3 . 25398 1 1128 . 1 1 102 102 MET HE1 H 1 1.947 0.000 . 1 . . . A 102 MET HE1 . 25398 1 1129 . 1 1 102 102 MET HE2 H 1 1.947 0.000 . 1 . . . A 102 MET HE1 . 25398 1 1130 . 1 1 102 102 MET HE3 H 1 1.947 0.000 . 1 . . . A 102 MET HE1 . 25398 1 1131 . 1 1 102 102 MET CA C 13 57.926 0.000 . 1 . . . A 102 MET CA . 25398 1 1132 . 1 1 102 102 MET CB C 13 30.852 0.000 . 1 . . . A 102 MET CB . 25398 1 1133 . 1 1 102 102 MET CG C 13 31.935 0.000 . 1 . . . A 102 MET CG . 25398 1 1134 . 1 1 102 102 MET CE C 13 16.369 0.000 . 1 . . . A 102 MET CE . 25398 1 1135 . 1 1 102 102 MET N N 15 120.419 0.000 . 1 . . . A 102 MET N . 25398 1 1136 . 1 1 103 103 GLN H H 1 8.427 0.000 . 1 . . . A 103 GLN H . 25398 1 1137 . 1 1 103 103 GLN HA H 1 3.969 0.000 . 1 . . . A 103 GLN HA . 25398 1 1138 . 1 1 103 103 GLN HB2 H 1 1.954 0.000 . 2 . . . A 103 GLN HB2 . 25398 1 1139 . 1 1 103 103 GLN HB3 H 1 2.070 0.000 . 2 . . . A 103 GLN HB3 . 25398 1 1140 . 1 1 103 103 GLN HG2 H 1 2.471 0.000 . 2 . . . A 103 GLN HG2 . 25398 1 1141 . 1 1 103 103 GLN HG3 H 1 2.371 0.000 . 2 . . . A 103 GLN HG3 . 25398 1 1142 . 1 1 103 103 GLN HE21 H 1 7.344 0.000 . 2 . . . A 103 GLN HE21 . 25398 1 1143 . 1 1 103 103 GLN HE22 H 1 6.571 0.000 . 2 . . . A 103 GLN HE22 . 25398 1 1144 . 1 1 103 103 GLN C C 13 177.275 0.000 . 1 . . . A 103 GLN C . 25398 1 1145 . 1 1 103 103 GLN CA C 13 58.496 0.000 . 1 . . . A 103 GLN CA . 25398 1 1146 . 1 1 103 103 GLN CB C 13 28.665 0.000 . 1 . . . A 103 GLN CB . 25398 1 1147 . 1 1 103 103 GLN CG C 13 33.878 0.000 . 1 . . . A 103 GLN CG . 25398 1 1148 . 1 1 103 103 GLN N N 15 118.702 0.000 . 1 . . . A 103 GLN N . 25398 1 1149 . 1 1 103 103 GLN NE2 N 15 110.291 0.000 . 1 . . . A 103 GLN NE2 . 25398 1 1150 . 1 1 104 104 ALA H H 1 7.709 0.000 . 1 . . . A 104 ALA H . 25398 1 1151 . 1 1 104 104 ALA HA H 1 4.233 0.000 . 1 . . . A 104 ALA HA . 25398 1 1152 . 1 1 104 104 ALA HB1 H 1 1.496 0.000 . 1 . . . A 104 ALA HB1 . 25398 1 1153 . 1 1 104 104 ALA HB2 H 1 1.496 0.000 . 1 . . . A 104 ALA HB1 . 25398 1 1154 . 1 1 104 104 ALA HB3 H 1 1.496 0.000 . 1 . . . A 104 ALA HB1 . 25398 1 1155 . 1 1 104 104 ALA C C 13 178.714 0.000 . 1 . . . A 104 ALA C . 25398 1 1156 . 1 1 104 104 ALA CA C 13 54.661 0.000 . 1 . . . A 104 ALA CA . 25398 1 1157 . 1 1 104 104 ALA CB C 13 20.728 0.000 . 1 . . . A 104 ALA CB . 25398 1 1158 . 1 1 104 104 ALA N N 15 117.825 0.000 . 1 . . . A 104 ALA N . 25398 1 1159 . 1 1 105 105 THR H H 1 8.313 0.000 . 1 . . . A 105 THR H . 25398 1 1160 . 1 1 105 105 THR HA H 1 4.718 0.000 . 1 . . . A 105 THR HA . 25398 1 1161 . 1 1 105 105 THR HB H 1 4.795 0.000 . 1 . . . A 105 THR HB . 25398 1 1162 . 1 1 105 105 THR HG21 H 1 1.120 0.000 . 1 . . . A 105 THR HG21 . 25398 1 1163 . 1 1 105 105 THR HG22 H 1 1.120 0.000 . 1 . . . A 105 THR HG21 . 25398 1 1164 . 1 1 105 105 THR HG23 H 1 1.120 0.000 . 1 . . . A 105 THR HG21 . 25398 1 1165 . 1 1 105 105 THR CA C 13 61.476 0.000 . 1 . . . A 105 THR CA . 25398 1 1166 . 1 1 105 105 THR CB C 13 68.305 0.000 . 1 . . . A 105 THR CB . 25398 1 1167 . 1 1 105 105 THR CG2 C 13 22.047 0.000 . 1 . . . A 105 THR CG2 . 25398 1 1168 . 1 1 105 105 THR N N 15 103.525 0.000 . 1 . . . A 105 THR N . 25398 1 1169 . 1 1 106 106 GLY H H 1 8.290 0.000 . 1 . . . A 106 GLY H . 25398 1 1170 . 1 1 106 106 GLY HA2 H 1 4.325 0.000 . 2 . . . A 106 GLY HA2 . 25398 1 1171 . 1 1 106 106 GLY HA3 H 1 3.894 0.000 . 2 . . . A 106 GLY HA3 . 25398 1 1172 . 1 1 106 106 GLY CA C 13 45.878 0.000 . 1 . . . A 106 GLY CA . 25398 1 1173 . 1 1 106 106 GLY N N 15 112.246 0.000 . 1 . . . A 106 GLY N . 25398 1 1174 . 1 1 107 107 SER H H 1 7.998 0.000 . 1 . . . A 107 SER H . 25398 1 1175 . 1 1 107 107 SER HA H 1 4.621 0.000 . 1 . . . A 107 SER HA . 25398 1 1176 . 1 1 107 107 SER HB2 H 1 3.695 0.000 . 2 . . . A 107 SER HB2 . 25398 1 1177 . 1 1 107 107 SER HB3 H 1 3.672 0.000 . 2 . . . A 107 SER HB3 . 25398 1 1178 . 1 1 107 107 SER C C 13 171.116 0.000 . 1 . . . A 107 SER C . 25398 1 1179 . 1 1 107 107 SER CA C 13 57.599 0.000 . 1 . . . A 107 SER CA . 25398 1 1180 . 1 1 107 107 SER CB C 13 65.538 0.000 . 1 . . . A 107 SER CB . 25398 1 1181 . 1 1 107 107 SER N N 15 114.908 0.000 . 1 . . . A 107 SER N . 25398 1 1182 . 1 1 108 108 VAL H H 1 8.155 0.000 . 1 . . . A 108 VAL H . 25398 1 1183 . 1 1 108 108 VAL HA H 1 3.959 0.000 . 1 . . . A 108 VAL HA . 25398 1 1184 . 1 1 108 108 VAL HB H 1 1.939 0.000 . 1 . . . A 108 VAL HB . 25398 1 1185 . 1 1 108 108 VAL HG11 H 1 0.966 0.000 . 2 . . . A 108 VAL HG11 . 25398 1 1186 . 1 1 108 108 VAL HG12 H 1 0.966 0.000 . 2 . . . A 108 VAL HG11 . 25398 1 1187 . 1 1 108 108 VAL HG13 H 1 0.966 0.000 . 2 . . . A 108 VAL HG11 . 25398 1 1188 . 1 1 108 108 VAL HG21 H 1 0.873 0.000 . 2 . . . A 108 VAL HG21 . 25398 1 1189 . 1 1 108 108 VAL HG22 H 1 0.873 0.000 . 2 . . . A 108 VAL HG21 . 25398 1 1190 . 1 1 108 108 VAL HG23 H 1 0.873 0.000 . 2 . . . A 108 VAL HG21 . 25398 1 1191 . 1 1 108 108 VAL CA C 13 62.268 0.000 . 1 . . . A 108 VAL CA . 25398 1 1192 . 1 1 108 108 VAL CB C 13 33.895 0.000 . 1 . . . A 108 VAL CB . 25398 1 1193 . 1 1 108 108 VAL CG1 C 13 22.089 0.000 . 2 . . . A 108 VAL CG1 . 25398 1 1194 . 1 1 108 108 VAL CG2 C 13 22.026 0.000 . 2 . . . A 108 VAL CG2 . 25398 1 1195 . 1 1 108 108 VAL N N 15 117.438 0.000 . 1 . . . A 108 VAL N . 25398 1 1196 . 1 1 109 109 ASP H H 1 7.867 0.000 . 1 . . . A 109 ASP H . 25398 1 1197 . 1 1 109 109 ASP HA H 1 4.806 0.000 . 1 . . . A 109 ASP HA . 25398 1 1198 . 1 1 109 109 ASP HB2 H 1 2.625 0.000 . 2 . . . A 109 ASP HB2 . 25398 1 1199 . 1 1 109 109 ASP HB3 H 1 3.133 0.000 . 2 . . . A 109 ASP HB3 . 25398 1 1200 . 1 1 109 109 ASP CA C 13 53.261 0.000 . 1 . . . A 109 ASP CA . 25398 1 1201 . 1 1 109 109 ASP CB C 13 41.474 0.000 . 1 . . . A 109 ASP CB . 25398 1 1202 . 1 1 109 109 ASP N N 15 127.104 0.000 . 1 . . . A 109 ASP N . 25398 1 1203 . 1 1 110 110 ASN H H 1 8.832 0.000 . 1 . . . A 110 ASN H . 25398 1 1204 . 1 1 110 110 ASN HA H 1 4.514 0.000 . 1 . . . A 110 ASN HA . 25398 1 1205 . 1 1 110 110 ASN HB2 H 1 2.748 0.000 . 2 . . . A 110 ASN HB2 . 25398 1 1206 . 1 1 110 110 ASN HB3 H 1 2.748 0.000 . 2 . . . A 110 ASN HB3 . 25398 1 1207 . 1 1 110 110 ASN HD21 H 1 7.702 0.000 . 2 . . . A 110 ASN HD21 . 25398 1 1208 . 1 1 110 110 ASN HD22 H 1 6.911 0.000 . 2 . . . A 110 ASN HD22 . 25398 1 1209 . 1 1 110 110 ASN CA C 13 55.660 0.000 . 1 . . . A 110 ASN CA . 25398 1 1210 . 1 1 110 110 ASN CB C 13 38.772 0.000 . 1 . . . A 110 ASN CB . 25398 1 1211 . 1 1 110 110 ASN N N 15 125.485 0.000 . 1 . . . A 110 ASN N . 25398 1 1212 . 1 1 110 110 ASN ND2 N 15 113.218 0.000 . 1 . . . A 110 ASN ND2 . 25398 1 1213 . 1 1 111 111 ALA H H 1 8.345 0.000 . 1 . . . A 111 ALA H . 25398 1 1214 . 1 1 111 111 ALA HA H 1 4.226 0.000 . 1 . . . A 111 ALA HA . 25398 1 1215 . 1 1 111 111 ALA HB1 H 1 1.580 0.000 . 1 . . . A 111 ALA HB1 . 25398 1 1216 . 1 1 111 111 ALA HB2 H 1 1.580 0.000 . 1 . . . A 111 ALA HB1 . 25398 1 1217 . 1 1 111 111 ALA HB3 H 1 1.580 0.000 . 1 . . . A 111 ALA HB1 . 25398 1 1218 . 1 1 111 111 ALA C C 13 174.868 0.000 . 1 . . . A 111 ALA C . 25398 1 1219 . 1 1 111 111 ALA CA C 13 55.337 0.000 . 1 . . . A 111 ALA CA . 25398 1 1220 . 1 1 111 111 ALA CB C 13 17.925 0.000 . 1 . . . A 111 ALA CB . 25398 1 1221 . 1 1 111 111 ALA N N 15 123.472 0.000 . 1 . . . A 111 ALA N . 25398 1 1222 . 1 1 112 112 PHE H H 1 8.285 0.000 . 1 . . . A 112 PHE H . 25398 1 1223 . 1 1 112 112 PHE HA H 1 4.453 0.000 . 1 . . . A 112 PHE HA . 25398 1 1224 . 1 1 112 112 PHE HB2 H 1 2.977 0.000 . 2 . . . A 112 PHE HB2 . 25398 1 1225 . 1 1 112 112 PHE HB3 H 1 3.321 0.000 . 2 . . . A 112 PHE HB3 . 25398 1 1226 . 1 1 112 112 PHE HD1 H 1 7.257 0.000 . 3 . . . A 112 PHE HD1 . 25398 1 1227 . 1 1 112 112 PHE HD2 H 1 7.257 0.000 . 3 . . . A 112 PHE HD2 . 25398 1 1228 . 1 1 112 112 PHE HE1 H 1 7.165 0.000 . 3 . . . A 112 PHE HE1 . 25398 1 1229 . 1 1 112 112 PHE HE2 H 1 7.165 0.000 . 3 . . . A 112 PHE HE2 . 25398 1 1230 . 1 1 112 112 PHE HZ H 1 7.033 0.000 . 1 . . . A 112 PHE HZ . 25398 1 1231 . 1 1 112 112 PHE CA C 13 61.194 0.000 . 1 . . . A 112 PHE CA . 25398 1 1232 . 1 1 112 112 PHE CB C 13 39.285 0.000 . 1 . . . A 112 PHE CB . 25398 1 1233 . 1 1 112 112 PHE CD1 C 13 130.863 0.000 . 3 . . . A 112 PHE CD1 . 25398 1 1234 . 1 1 112 112 PHE CD2 C 13 130.863 0.000 . 3 . . . A 112 PHE CD2 . 25398 1 1235 . 1 1 112 112 PHE CE1 C 13 130.838 0.000 . 3 . . . A 112 PHE CE1 . 25398 1 1236 . 1 1 112 112 PHE CE2 C 13 130.838 0.000 . 3 . . . A 112 PHE CE2 . 25398 1 1237 . 1 1 112 112 PHE CZ C 13 128.126 0.000 . 1 . . . A 112 PHE CZ . 25398 1 1238 . 1 1 112 112 PHE N N 15 121.642 0.000 . 1 . . . A 112 PHE N . 25398 1 1239 . 1 1 113 113 THR H H 1 7.807 0.000 . 1 . . . A 113 THR H . 25398 1 1240 . 1 1 113 113 THR HA H 1 3.462 0.000 . 1 . . . A 113 THR HA . 25398 1 1241 . 1 1 113 113 THR HB H 1 4.197 0.000 . 1 . . . A 113 THR HB . 25398 1 1242 . 1 1 113 113 THR HG1 H 1 4.866 0.000 . 1 . . . A 113 THR HG1 . 25398 1 1243 . 1 1 113 113 THR HG21 H 1 1.161 0.000 . 1 . . . A 113 THR HG21 . 25398 1 1244 . 1 1 113 113 THR HG22 H 1 1.161 0.000 . 1 . . . A 113 THR HG21 . 25398 1 1245 . 1 1 113 113 THR HG23 H 1 1.161 0.000 . 1 . . . A 113 THR HG21 . 25398 1 1246 . 1 1 113 113 THR CA C 13 67.480 0.000 . 1 . . . A 113 THR CA . 25398 1 1247 . 1 1 113 113 THR CB C 13 68.267 0.000 . 1 . . . A 113 THR CB . 25398 1 1248 . 1 1 113 113 THR CG2 C 13 22.356 0.000 . 1 . . . A 113 THR CG2 . 25398 1 1249 . 1 1 113 113 THR N N 15 113.295 0.000 . 1 . . . A 113 THR N . 25398 1 1250 . 1 1 114 114 ASN H H 1 8.192 0.000 . 1 . . . A 114 ASN H . 25398 1 1251 . 1 1 114 114 ASN HA H 1 4.302 0.000 . 1 . . . A 114 ASN HA . 25398 1 1252 . 1 1 114 114 ASN HB2 H 1 2.856 0.000 . 2 . . . A 114 ASN HB2 . 25398 1 1253 . 1 1 114 114 ASN HB3 H 1 2.763 0.000 . 2 . . . A 114 ASN HB3 . 25398 1 1254 . 1 1 114 114 ASN HD21 H 1 7.594 0.000 . 2 . . . A 114 ASN HD21 . 25398 1 1255 . 1 1 114 114 ASN HD22 H 1 6.888 0.000 . 2 . . . A 114 ASN HD22 . 25398 1 1256 . 1 1 114 114 ASN C C 13 176.833 0.000 . 1 . . . A 114 ASN C . 25398 1 1257 . 1 1 114 114 ASN CA C 13 56.296 0.000 . 1 . . . A 114 ASN CA . 25398 1 1258 . 1 1 114 114 ASN CB C 13 38.214 0.000 . 1 . . . A 114 ASN CB . 25398 1 1259 . 1 1 114 114 ASN N N 15 118.329 0.000 . 1 . . . A 114 ASN N . 25398 1 1260 . 1 1 114 114 ASN ND2 N 15 112.821 0.000 . 1 . . . A 114 ASN ND2 . 25398 1 1261 . 1 1 115 115 GLU H H 1 7.972 0.000 . 1 . . . A 115 GLU H . 25398 1 1262 . 1 1 115 115 GLU HA H 1 3.941 0.000 . 1 . . . A 115 GLU HA . 25398 1 1263 . 1 1 115 115 GLU HB2 H 1 2.140 0.000 . 2 . . . A 115 GLU HB2 . 25398 1 1264 . 1 1 115 115 GLU HB3 H 1 2.238 0.000 . 2 . . . A 115 GLU HB3 . 25398 1 1265 . 1 1 115 115 GLU HG2 H 1 2.269 0.000 . 2 . . . A 115 GLU HG2 . 25398 1 1266 . 1 1 115 115 GLU HG3 H 1 1.985 0.000 . 2 . . . A 115 GLU HG3 . 25398 1 1267 . 1 1 115 115 GLU C C 13 178.354 0.000 . 1 . . . A 115 GLU C . 25398 1 1268 . 1 1 115 115 GLU CA C 13 59.715 0.000 . 1 . . . A 115 GLU CA . 25398 1 1269 . 1 1 115 115 GLU CB C 13 31.730 0.000 . 1 . . . A 115 GLU CB . 25398 1 1270 . 1 1 115 115 GLU CG C 13 31.732 0.000 . 1 . . . A 115 GLU CG . 25398 1 1271 . 1 1 115 115 GLU N N 15 121.695 0.000 . 1 . . . A 115 GLU N . 25398 1 1272 . 1 1 116 116 VAL H H 1 7.913 0.000 . 1 . . . A 116 VAL H . 25398 1 1273 . 1 1 116 116 VAL HA H 1 3.253 0.000 . 1 . . . A 116 VAL HA . 25398 1 1274 . 1 1 116 116 VAL HB H 1 1.969 0.000 . 1 . . . A 116 VAL HB . 25398 1 1275 . 1 1 116 116 VAL HG11 H 1 0.465 0.000 . 2 . . . A 116 VAL HG11 . 25398 1 1276 . 1 1 116 116 VAL HG12 H 1 0.465 0.000 . 2 . . . A 116 VAL HG11 . 25398 1 1277 . 1 1 116 116 VAL HG13 H 1 0.465 0.000 . 2 . . . A 116 VAL HG11 . 25398 1 1278 . 1 1 116 116 VAL HG21 H 1 0.649 0.000 . 2 . . . A 116 VAL HG21 . 25398 1 1279 . 1 1 116 116 VAL HG22 H 1 0.649 0.000 . 2 . . . A 116 VAL HG21 . 25398 1 1280 . 1 1 116 116 VAL HG23 H 1 0.649 0.000 . 2 . . . A 116 VAL HG21 . 25398 1 1281 . 1 1 116 116 VAL CA C 13 67.451 0.000 . 1 . . . A 116 VAL CA . 25398 1 1282 . 1 1 116 116 VAL CB C 13 31.423 0.000 . 1 . . . A 116 VAL CB . 25398 1 1283 . 1 1 116 116 VAL CG1 C 13 22.655 0.000 . 2 . . . A 116 VAL CG1 . 25398 1 1284 . 1 1 116 116 VAL CG2 C 13 20.439 0.000 . 2 . . . A 116 VAL CG2 . 25398 1 1285 . 1 1 116 116 VAL N N 15 117.488 0.000 . 1 . . . A 116 VAL N . 25398 1 1286 . 1 1 117 117 MET H H 1 8.138 0.000 . 1 . . . A 117 MET H . 25398 1 1287 . 1 1 117 117 MET HA H 1 4.233 0.000 . 1 . . . A 117 MET HA . 25398 1 1288 . 1 1 117 117 MET HB2 H 1 2.224 0.000 . 2 . . . A 117 MET HB2 . 25398 1 1289 . 1 1 117 117 MET HB3 H 1 1.927 0.000 . 2 . . . A 117 MET HB3 . 25398 1 1290 . 1 1 117 117 MET HG2 H 1 2.847 0.000 . 2 . . . A 117 MET HG2 . 25398 1 1291 . 1 1 117 117 MET HG3 H 1 2.713 0.000 . 2 . . . A 117 MET HG3 . 25398 1 1292 . 1 1 117 117 MET HE1 H 1 1.940 0.000 . 1 . . . A 117 MET HE1 . 25398 1 1293 . 1 1 117 117 MET HE2 H 1 1.940 0.000 . 1 . . . A 117 MET HE1 . 25398 1 1294 . 1 1 117 117 MET HE3 H 1 1.940 0.000 . 1 . . . A 117 MET HE1 . 25398 1 1295 . 1 1 117 117 MET C C 13 174.946 0.000 . 1 . . . A 117 MET C . 25398 1 1296 . 1 1 117 117 MET CA C 13 57.341 0.000 . 1 . . . A 117 MET CA . 25398 1 1297 . 1 1 117 117 MET CB C 13 30.594 0.000 . 1 . . . A 117 MET CB . 25398 1 1298 . 1 1 117 117 MET CG C 13 32.726 0.000 . 1 . . . A 117 MET CG . 25398 1 1299 . 1 1 117 117 MET CE C 13 17.183 0.000 . 1 . . . A 117 MET CE . 25398 1 1300 . 1 1 117 117 MET N N 15 115.348 0.000 . 1 . . . A 117 MET N . 25398 1 1301 . 1 1 118 118 GLN H H 1 8.561 0.000 . 1 . . . A 118 GLN H . 25398 1 1302 . 1 1 118 118 GLN HA H 1 4.050 0.000 . 1 . . . A 118 GLN HA . 25398 1 1303 . 1 1 118 118 GLN HB2 H 1 2.104 0.000 . 2 . . . A 118 GLN HB2 . 25398 1 1304 . 1 1 118 118 GLN HB3 H 1 2.173 0.000 . 2 . . . A 118 GLN HB3 . 25398 1 1305 . 1 1 118 118 GLN HG2 H 1 2.466 0.000 . 2 . . . A 118 GLN HG2 . 25398 1 1306 . 1 1 118 118 GLN HG3 H 1 2.423 0.000 . 2 . . . A 118 GLN HG3 . 25398 1 1307 . 1 1 118 118 GLN HE21 H 1 6.908 0.000 . 2 . . . A 118 GLN HE21 . 25398 1 1308 . 1 1 118 118 GLN HE22 H 1 7.227 0.000 . 2 . . . A 118 GLN HE22 . 25398 1 1309 . 1 1 118 118 GLN CA C 13 58.921 0.000 . 1 . . . A 118 GLN CA . 25398 1 1310 . 1 1 118 118 GLN CB C 13 28.628 0.000 . 1 . . . A 118 GLN CB . 25398 1 1311 . 1 1 118 118 GLN CG C 13 34.143 0.000 . 1 . . . A 118 GLN CG . 25398 1 1312 . 1 1 118 118 GLN N N 15 120.838 0.000 . 1 . . . A 118 GLN N . 25398 1 1313 . 1 1 118 118 GLN NE2 N 15 111.167 0.000 . 1 . . . A 118 GLN NE2 . 25398 1 1314 . 1 1 119 119 LEU H H 1 8.119 0.000 . 1 . . . A 119 LEU H . 25398 1 1315 . 1 1 119 119 LEU HA H 1 3.966 0.000 . 1 . . . A 119 LEU HA . 25398 1 1316 . 1 1 119 119 LEU HB2 H 1 1.001 0.000 . 2 . . . A 119 LEU HB2 . 25398 1 1317 . 1 1 119 119 LEU HB3 H 1 2.049 0.000 . 2 . . . A 119 LEU HB3 . 25398 1 1318 . 1 1 119 119 LEU HG H 1 1.701 0.000 . 1 . . . A 119 LEU HG . 25398 1 1319 . 1 1 119 119 LEU HD11 H 1 0.622 0.000 . 2 . . . A 119 LEU HD11 . 25398 1 1320 . 1 1 119 119 LEU HD12 H 1 0.622 0.000 . 2 . . . A 119 LEU HD11 . 25398 1 1321 . 1 1 119 119 LEU HD13 H 1 0.622 0.000 . 2 . . . A 119 LEU HD11 . 25398 1 1322 . 1 1 119 119 LEU HD21 H 1 0.726 0.000 . 2 . . . A 119 LEU HD21 . 25398 1 1323 . 1 1 119 119 LEU HD22 H 1 0.726 0.000 . 2 . . . A 119 LEU HD21 . 25398 1 1324 . 1 1 119 119 LEU HD23 H 1 0.726 0.000 . 2 . . . A 119 LEU HD21 . 25398 1 1325 . 1 1 119 119 LEU CA C 13 58.440 0.000 . 1 . . . A 119 LEU CA . 25398 1 1326 . 1 1 119 119 LEU CB C 13 42.001 0.000 . 1 . . . A 119 LEU CB . 25398 1 1327 . 1 1 119 119 LEU CG C 13 27.297 0.000 . 1 . . . A 119 LEU CG . 25398 1 1328 . 1 1 119 119 LEU CD1 C 13 25.932 0.000 . 2 . . . A 119 LEU CD1 . 25398 1 1329 . 1 1 119 119 LEU CD2 C 13 24.530 0.000 . 2 . . . A 119 LEU CD2 . 25398 1 1330 . 1 1 119 119 LEU N N 15 122.057 0.000 . 1 . . . A 119 LEU N . 25398 1 1331 . 1 1 120 120 VAL H H 1 8.787 0.000 . 1 . . . A 120 VAL H . 25398 1 1332 . 1 1 120 120 VAL HA H 1 3.348 0.000 . 1 . . . A 120 VAL HA . 25398 1 1333 . 1 1 120 120 VAL HB H 1 2.326 0.000 . 1 . . . A 120 VAL HB . 25398 1 1334 . 1 1 120 120 VAL HG11 H 1 0.896 0.000 . 2 . . . A 120 VAL HG11 . 25398 1 1335 . 1 1 120 120 VAL HG12 H 1 0.896 0.000 . 2 . . . A 120 VAL HG11 . 25398 1 1336 . 1 1 120 120 VAL HG13 H 1 0.896 0.000 . 2 . . . A 120 VAL HG11 . 25398 1 1337 . 1 1 120 120 VAL HG21 H 1 1.093 0.000 . 2 . . . A 120 VAL HG21 . 25398 1 1338 . 1 1 120 120 VAL HG22 H 1 1.093 0.000 . 2 . . . A 120 VAL HG21 . 25398 1 1339 . 1 1 120 120 VAL HG23 H 1 1.093 0.000 . 2 . . . A 120 VAL HG21 . 25398 1 1340 . 1 1 120 120 VAL C C 13 178.901 0.000 . 1 . . . A 120 VAL C . 25398 1 1341 . 1 1 120 120 VAL CA C 13 67.504 0.000 . 1 . . . A 120 VAL CA . 25398 1 1342 . 1 1 120 120 VAL CB C 13 31.619 0.000 . 1 . . . A 120 VAL CB . 25398 1 1343 . 1 1 120 120 VAL CG1 C 13 22.629 0.000 . 2 . . . A 120 VAL CG1 . 25398 1 1344 . 1 1 120 120 VAL CG2 C 13 23.248 0.000 . 2 . . . A 120 VAL CG2 . 25398 1 1345 . 1 1 120 120 VAL N N 15 120.402 0.000 . 1 . . . A 120 VAL N . 25398 1 1346 . 1 1 121 121 LYS H H 1 7.637 0.000 . 1 . . . A 121 LYS H . 25398 1 1347 . 1 1 121 121 LYS HA H 1 3.936 0.000 . 1 . . . A 121 LYS HA . 25398 1 1348 . 1 1 121 121 LYS HB2 H 1 1.921 0.000 . 2 . . . A 121 LYS HB2 . 25398 1 1349 . 1 1 121 121 LYS HB3 H 1 1.921 0.000 . 2 . . . A 121 LYS HB3 . 25398 1 1350 . 1 1 121 121 LYS HG2 H 1 1.392 0.000 . 2 . . . A 121 LYS HG2 . 25398 1 1351 . 1 1 121 121 LYS HG3 H 1 1.547 0.000 . 2 . . . A 121 LYS HG3 . 25398 1 1352 . 1 1 121 121 LYS HD2 H 1 1.661 0.000 . 2 . . . A 121 LYS HD2 . 25398 1 1353 . 1 1 121 121 LYS HD3 H 1 1.661 0.000 . 2 . . . A 121 LYS HD3 . 25398 1 1354 . 1 1 121 121 LYS HE2 H 1 2.925 0.000 . 2 . . . A 121 LYS HE2 . 25398 1 1355 . 1 1 121 121 LYS HE3 H 1 2.925 0.000 . 2 . . . A 121 LYS HE3 . 25398 1 1356 . 1 1 121 121 LYS C C 13 178.808 0.000 . 1 . . . A 121 LYS C . 25398 1 1357 . 1 1 121 121 LYS CA C 13 59.798 0.000 . 1 . . . A 121 LYS CA . 25398 1 1358 . 1 1 121 121 LYS CB C 13 32.180 0.000 . 1 . . . A 121 LYS CB . 25398 1 1359 . 1 1 121 121 LYS CG C 13 24.994 0.000 . 1 . . . A 121 LYS CG . 25398 1 1360 . 1 1 121 121 LYS CD C 13 29.203 0.000 . 1 . . . A 121 LYS CD . 25398 1 1361 . 1 1 121 121 LYS CE C 13 42.071 0.000 . 1 . . . A 121 LYS CE . 25398 1 1362 . 1 1 121 121 LYS N N 15 120.352 0.000 . 1 . . . A 121 LYS N . 25398 1 1363 . 1 1 122 122 MET H H 1 7.772 0.000 . 1 . . . A 122 MET H . 25398 1 1364 . 1 1 122 122 MET HA H 1 4.095 0.000 . 1 . . . A 122 MET HA . 25398 1 1365 . 1 1 122 122 MET HB2 H 1 2.070 0.000 . 2 . . . A 122 MET HB2 . 25398 1 1366 . 1 1 122 122 MET HB3 H 1 2.177 0.000 . 2 . . . A 122 MET HB3 . 25398 1 1367 . 1 1 122 122 MET HG2 H 1 2.642 0.000 . 2 . . . A 122 MET HG2 . 25398 1 1368 . 1 1 122 122 MET HG3 H 1 2.379 0.000 . 2 . . . A 122 MET HG3 . 25398 1 1369 . 1 1 122 122 MET HE1 H 1 1.954 0.000 . 1 . . . A 122 MET HE1 . 25398 1 1370 . 1 1 122 122 MET HE2 H 1 1.954 0.000 . 1 . . . A 122 MET HE1 . 25398 1 1371 . 1 1 122 122 MET HE3 H 1 1.954 0.000 . 1 . . . A 122 MET HE1 . 25398 1 1372 . 1 1 122 122 MET CA C 13 58.755 0.000 . 1 . . . A 122 MET CA . 25398 1 1373 . 1 1 122 122 MET CB C 13 33.655 0.000 . 1 . . . A 122 MET CB . 25398 1 1374 . 1 1 122 122 MET CG C 13 31.923 0.000 . 1 . . . A 122 MET CG . 25398 1 1375 . 1 1 122 122 MET CE C 13 17.980 0.000 . 1 . . . A 122 MET CE . 25398 1 1376 . 1 1 122 122 MET N N 15 118.297 0.000 . 1 . . . A 122 MET N . 25398 1 1377 . 1 1 123 123 LEU H H 1 8.455 0.000 . 1 . . . A 123 LEU H . 25398 1 1378 . 1 1 123 123 LEU HA H 1 4.176 0.000 . 1 . . . A 123 LEU HA . 25398 1 1379 . 1 1 123 123 LEU HB2 H 1 1.405 0.000 . 2 . . . A 123 LEU HB2 . 25398 1 1380 . 1 1 123 123 LEU HB3 H 1 1.633 0.000 . 2 . . . A 123 LEU HB3 . 25398 1 1381 . 1 1 123 123 LEU HG H 1 1.818 0.000 . 1 . . . A 123 LEU HG . 25398 1 1382 . 1 1 123 123 LEU HD11 H 1 0.789 0.000 . 2 . . . A 123 LEU HD11 . 25398 1 1383 . 1 1 123 123 LEU HD12 H 1 0.789 0.000 . 2 . . . A 123 LEU HD11 . 25398 1 1384 . 1 1 123 123 LEU HD13 H 1 0.789 0.000 . 2 . . . A 123 LEU HD11 . 25398 1 1385 . 1 1 123 123 LEU HD21 H 1 0.731 0.000 . 2 . . . A 123 LEU HD21 . 25398 1 1386 . 1 1 123 123 LEU HD22 H 1 0.731 0.000 . 2 . . . A 123 LEU HD21 . 25398 1 1387 . 1 1 123 123 LEU HD23 H 1 0.731 0.000 . 2 . . . A 123 LEU HD21 . 25398 1 1388 . 1 1 123 123 LEU C C 13 174.696 0.000 . 1 . . . A 123 LEU C . 25398 1 1389 . 1 1 123 123 LEU CA C 13 56.526 0.000 . 1 . . . A 123 LEU CA . 25398 1 1390 . 1 1 123 123 LEU CB C 13 41.792 0.000 . 1 . . . A 123 LEU CB . 25398 1 1391 . 1 1 123 123 LEU CG C 13 27.254 0.000 . 1 . . . A 123 LEU CG . 25398 1 1392 . 1 1 123 123 LEU CD1 C 13 21.801 0.000 . 2 . . . A 123 LEU CD1 . 25398 1 1393 . 1 1 123 123 LEU CD2 C 13 25.969 0.000 . 2 . . . A 123 LEU CD2 . 25398 1 1394 . 1 1 123 123 LEU N N 15 117.453 0.000 . 1 . . . A 123 LEU N . 25398 1 1395 . 1 1 124 124 SER H H 1 7.802 0.000 . 1 . . . A 124 SER H . 25398 1 1396 . 1 1 124 124 SER HA H 1 4.504 0.000 . 1 . . . A 124 SER HA . 25398 1 1397 . 1 1 124 124 SER HB2 H 1 3.959 0.000 . 2 . . . A 124 SER HB2 . 25398 1 1398 . 1 1 124 124 SER HB3 H 1 3.959 0.000 . 2 . . . A 124 SER HB3 . 25398 1 1399 . 1 1 124 124 SER C C 13 173.711 0.000 . 1 . . . A 124 SER C . 25398 1 1400 . 1 1 124 124 SER CA C 13 59.851 0.000 . 1 . . . A 124 SER CA . 25398 1 1401 . 1 1 124 124 SER CB C 13 63.690 0.000 . 1 . . . A 124 SER CB . 25398 1 1402 . 1 1 124 124 SER N N 15 114.089 0.000 . 1 . . . A 124 SER N . 25398 1 1403 . 1 1 125 125 ALA H H 1 7.625 0.000 . 1 . . . A 125 ALA H . 25398 1 1404 . 1 1 125 125 ALA HA H 1 4.231 0.000 . 1 . . . A 125 ALA HA . 25398 1 1405 . 1 1 125 125 ALA HB1 H 1 1.413 0.000 . 1 . . . A 125 ALA HB1 . 25398 1 1406 . 1 1 125 125 ALA HB2 H 1 1.413 0.000 . 1 . . . A 125 ALA HB1 . 25398 1 1407 . 1 1 125 125 ALA HB3 H 1 1.413 0.000 . 1 . . . A 125 ALA HB1 . 25398 1 1408 . 1 1 125 125 ALA C C 13 177.604 0.000 . 1 . . . A 125 ALA C . 25398 1 1409 . 1 1 125 125 ALA CA C 13 53.247 0.000 . 1 . . . A 125 ALA CA . 25398 1 1410 . 1 1 125 125 ALA CB C 13 19.055 0.000 . 1 . . . A 125 ALA CB . 25398 1 1411 . 1 1 125 125 ALA N N 15 124.618 0.000 . 1 . . . A 125 ALA N . 25398 1 1412 . 1 1 126 126 ASP H H 1 8.188 0.000 . 1 . . . A 126 ASP H . 25398 1 1413 . 1 1 126 126 ASP HA H 1 4.565 0.000 . 1 . . . A 126 ASP HA . 25398 1 1414 . 1 1 126 126 ASP HB2 H 1 2.719 0.000 . 2 . . . A 126 ASP HB2 . 25398 1 1415 . 1 1 126 126 ASP HB3 H 1 2.607 0.000 . 2 . . . A 126 ASP HB3 . 25398 1 1416 . 1 1 126 126 ASP C C 13 176.588 0.000 . 1 . . . A 126 ASP C . 25398 1 1417 . 1 1 126 126 ASP CA C 13 54.687 0.000 . 1 . . . A 126 ASP CA . 25398 1 1418 . 1 1 126 126 ASP CB C 13 40.932 0.000 . 1 . . . A 126 ASP CB . 25398 1 1419 . 1 1 126 126 ASP N N 15 119.115 0.000 . 1 . . . A 126 ASP N . 25398 1 1420 . 1 1 127 127 SER H H 1 8.106 0.000 . 1 . . . A 127 SER H . 25398 1 1421 . 1 1 127 127 SER HA H 1 4.340 0.000 . 1 . . . A 127 SER HA . 25398 1 1422 . 1 1 127 127 SER HB2 H 1 3.845 0.000 . 2 . . . A 127 SER HB2 . 25398 1 1423 . 1 1 127 127 SER HB3 H 1 3.890 0.000 . 2 . . . A 127 SER HB3 . 25398 1 1424 . 1 1 127 127 SER C C 13 174.539 0.000 . 1 . . . A 127 SER C . 25398 1 1425 . 1 1 127 127 SER CA C 13 59.009 0.000 . 1 . . . A 127 SER CA . 25398 1 1426 . 1 1 127 127 SER CB C 13 63.654 0.000 . 1 . . . A 127 SER CB . 25398 1 1427 . 1 1 127 127 SER N N 15 116.209 0.000 . 1 . . . A 127 SER N . 25398 1 1428 . 1 1 128 128 ALA H H 1 8.193 0.000 . 1 . . . A 128 ALA H . 25398 1 1429 . 1 1 128 128 ALA HA H 1 4.244 0.000 . 1 . . . A 128 ALA HA . 25398 1 1430 . 1 1 128 128 ALA HB1 H 1 1.338 0.000 . 1 . . . A 128 ALA HB1 . 25398 1 1431 . 1 1 128 128 ALA HB2 H 1 1.338 0.000 . 1 . . . A 128 ALA HB1 . 25398 1 1432 . 1 1 128 128 ALA HB3 H 1 1.338 0.000 . 1 . . . A 128 ALA HB1 . 25398 1 1433 . 1 1 128 128 ALA C C 13 177.385 0.000 . 1 . . . A 128 ALA C . 25398 1 1434 . 1 1 128 128 ALA CA C 13 52.987 0.000 . 1 . . . A 128 ALA CA . 25398 1 1435 . 1 1 128 128 ALA CB C 13 19.000 0.000 . 1 . . . A 128 ALA CB . 25398 1 1436 . 1 1 128 128 ALA N N 15 124.627 0.000 . 1 . . . A 128 ALA N . 25398 1 1437 . 1 1 129 129 ASN H H 1 8.110 0.000 . 1 . . . A 129 ASN H . 25398 1 1438 . 1 1 129 129 ASN HA H 1 4.648 0.000 . 1 . . . A 129 ASN HA . 25398 1 1439 . 1 1 129 129 ASN HB2 H 1 2.746 0.000 . 2 . . . A 129 ASN HB2 . 25398 1 1440 . 1 1 129 129 ASN HB3 H 1 2.665 0.000 . 2 . . . A 129 ASN HB3 . 25398 1 1441 . 1 1 129 129 ASN HD21 H 1 6.882 0.000 . 2 . . . A 129 ASN HD21 . 25398 1 1442 . 1 1 129 129 ASN HD22 H 1 7.593 0.000 . 2 . . . A 129 ASN HD22 . 25398 1 1443 . 1 1 129 129 ASN C C 13 174.805 0.000 . 1 . . . A 129 ASN C . 25398 1 1444 . 1 1 129 129 ASN CA C 13 53.254 0.000 . 1 . . . A 129 ASN CA . 25398 1 1445 . 1 1 129 129 ASN CB C 13 39.081 0.000 . 1 . . . A 129 ASN CB . 25398 1 1446 . 1 1 129 129 ASN N N 15 116.595 0.000 . 1 . . . A 129 ASN N . 25398 1 1447 . 1 1 129 129 ASN ND2 N 15 113.098 0.000 . 1 . . . A 129 ASN ND2 . 25398 1 1448 . 1 1 130 130 GLU H H 1 8.133 0.000 . 1 . . . A 130 GLU H . 25398 1 1449 . 1 1 130 130 GLU HA H 1 4.277 0.000 . 1 . . . A 130 GLU HA . 25398 1 1450 . 1 1 130 130 GLU HB2 H 1 1.919 0.000 . 2 . . . A 130 GLU HB2 . 25398 1 1451 . 1 1 130 130 GLU HB3 H 1 2.019 0.000 . 2 . . . A 130 GLU HB3 . 25398 1 1452 . 1 1 130 130 GLU HG2 H 1 2.261 0.000 . 2 . . . A 130 GLU HG2 . 25398 1 1453 . 1 1 130 130 GLU HG3 H 1 2.222 0.000 . 2 . . . A 130 GLU HG3 . 25398 1 1454 . 1 1 130 130 GLU C C 13 176.040 0.000 . 1 . . . A 130 GLU C . 25398 1 1455 . 1 1 130 130 GLU CA C 13 56.475 0.000 . 1 . . . A 130 GLU CA . 25398 1 1456 . 1 1 130 130 GLU CB C 13 30.261 0.000 . 1 . . . A 130 GLU CB . 25398 1 1457 . 1 1 130 130 GLU CG C 13 35.831 0.000 . 1 . . . A 130 GLU CG . 25398 1 1458 . 1 1 130 130 GLU N N 15 120.816 0.000 . 1 . . . A 130 GLU N . 25398 1 1459 . 1 1 131 131 VAL H H 1 8.174 0.000 . 1 . . . A 131 VAL H . 25398 1 1460 . 1 1 131 131 VAL HA H 1 4.157 0.000 . 1 . . . A 131 VAL HA . 25398 1 1461 . 1 1 131 131 VAL HB H 1 2.069 0.000 . 1 . . . A 131 VAL HB . 25398 1 1462 . 1 1 131 131 VAL HG11 H 1 0.911 0.000 . 2 . . . A 131 VAL HG11 . 25398 1 1463 . 1 1 131 131 VAL HG12 H 1 0.911 0.000 . 2 . . . A 131 VAL HG11 . 25398 1 1464 . 1 1 131 131 VAL HG13 H 1 0.911 0.000 . 2 . . . A 131 VAL HG11 . 25398 1 1465 . 1 1 131 131 VAL HG21 H 1 0.911 0.000 . 2 . . . A 131 VAL HG21 . 25398 1 1466 . 1 1 131 131 VAL HG22 H 1 0.911 0.000 . 2 . . . A 131 VAL HG21 . 25398 1 1467 . 1 1 131 131 VAL HG23 H 1 0.911 0.000 . 2 . . . A 131 VAL HG21 . 25398 1 1468 . 1 1 131 131 VAL C C 13 175.837 0.000 . 1 . . . A 131 VAL C . 25398 1 1469 . 1 1 131 131 VAL CA C 13 62.262 0.000 . 1 . . . A 131 VAL CA . 25398 1 1470 . 1 1 131 131 VAL CB C 13 32.938 0.000 . 1 . . . A 131 VAL CB . 25398 1 1471 . 1 1 131 131 VAL CG1 C 13 20.498 0.000 . 2 . . . A 131 VAL CG1 . 25398 1 1472 . 1 1 131 131 VAL CG2 C 13 21.223 0.000 . 2 . . . A 131 VAL CG2 . 25398 1 1473 . 1 1 131 131 VAL N N 15 121.229 0.000 . 1 . . . A 131 VAL N . 25398 1 1474 . 1 1 132 132 SER H H 1 8.431 0.000 . 1 . . . A 132 SER H . 25398 1 1475 . 1 1 132 132 SER HA H 1 4.551 0.000 . 1 . . . A 132 SER HA . 25398 1 1476 . 1 1 132 132 SER HB2 H 1 3.856 0.000 . 2 . . . A 132 SER HB2 . 25398 1 1477 . 1 1 132 132 SER HB3 H 1 3.856 0.000 . 2 . . . A 132 SER HB3 . 25398 1 1478 . 1 1 132 132 SER C C 13 173.680 0.000 . 1 . . . A 132 SER C . 25398 1 1479 . 1 1 132 132 SER CA C 13 58.194 0.000 . 1 . . . A 132 SER CA . 25398 1 1480 . 1 1 132 132 SER CB C 13 63.903 0.000 . 1 . . . A 132 SER CB . 25398 1 1481 . 1 1 132 132 SER N N 15 120.434 0.000 . 1 . . . A 132 SER N . 25398 1 1482 . 1 1 133 133 THR H H 1 7.858 0.000 . 1 . . . A 133 THR H . 25398 1 1483 . 1 1 133 133 THR HA H 1 4.544 0.000 . 1 . . . A 133 THR HA . 25398 1 1484 . 1 1 133 133 THR HB H 1 4.234 0.000 . 1 . . . A 133 THR HB . 25398 1 1485 . 1 1 133 133 THR HG21 H 1 1.141 0.000 . 1 . . . A 133 THR HG21 . 25398 1 1486 . 1 1 133 133 THR HG22 H 1 1.141 0.000 . 1 . . . A 133 THR HG21 . 25398 1 1487 . 1 1 133 133 THR HG23 H 1 1.141 0.000 . 1 . . . A 133 THR HG21 . 25398 1 1488 . 1 1 133 133 THR C C 13 179.042 0.000 . 1 . . . A 133 THR C . 25398 1 1489 . 1 1 133 133 THR CA C 13 62.334 0.000 . 1 . . . A 133 THR CA . 25398 1 1490 . 1 1 133 133 THR CB C 13 70.748 0.000 . 1 . . . A 133 THR CB . 25398 1 1491 . 1 1 133 133 THR CG2 C 13 22.082 0.000 . 1 . . . A 133 THR CG2 . 25398 1 1492 . 1 1 133 133 THR N N 15 121.223 0.000 . 1 . . . A 133 THR N . 25398 1 stop_ save_