data_25397 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25397 _Entry.Title ; NMR structure of N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 7.2 ; _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 . . . 25397 2 Kristaps Jaudzems . . . 25397 3 Gefei Chen . . . 25397 4 Kerstin Nordling . . . 25397 5 Anna Rising . . . 25397 6 Jan Johansson . . . 25397 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' . 25397 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'STRUCTURAL PROTEIN' . 25397 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25397 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 504 25397 '15N chemical shifts' 140 25397 '1H chemical shifts' 857 25397 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 . 25397 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25398 'N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 5.5' 25397 PDB 2MX8 'BMRB Entry Tracking System' 25397 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25397 _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 7.2 ; _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 . . . 25397 1 2 Kristaps Jaudzems . . . 25397 1 3 Gefei Chen . . . 25397 1 4 Kerstin Nordling . . . 25397 1 5 Anna Rising . . . 25397 1 6 Jan Johansson . . . 25397 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25397 _Assembly.ID 1 _Assembly.Name 'N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 7.2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25397 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 . . . . . . . . . . 25397 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25397 _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 _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 25398 . entity . . . . . 100.00 133 100.00 100.00 9.35e-90 . . . . 25397 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 . . . . 25397 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 . . . . 25397 1 4 no GB AFV31615 . "minor ampullate spidroin [Araneus ventricosus]" . . . . . 96.99 1766 100.00 100.00 1.79e-96 . . . . 25397 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 . 25397 1 2 . SER . 25397 1 3 . GLY . 25397 1 4 . ASN . 25397 1 5 . SER . 25397 1 6 . GLN . 25397 1 7 . PRO . 25397 1 8 . ILE . 25397 1 9 . TRP . 25397 1 10 . THR . 25397 1 11 . ASN . 25397 1 12 . PRO . 25397 1 13 . ASN . 25397 1 14 . ALA . 25397 1 15 . ALA . 25397 1 16 . MET . 25397 1 17 . THR . 25397 1 18 . MET . 25397 1 19 . THR . 25397 1 20 . ASN . 25397 1 21 . ASN . 25397 1 22 . LEU . 25397 1 23 . VAL . 25397 1 24 . GLN . 25397 1 25 . CYS . 25397 1 26 . ALA . 25397 1 27 . SER . 25397 1 28 . ARG . 25397 1 29 . SER . 25397 1 30 . GLY . 25397 1 31 . VAL . 25397 1 32 . LEU . 25397 1 33 . THR . 25397 1 34 . ALA . 25397 1 35 . ASP . 25397 1 36 . GLN . 25397 1 37 . MET . 25397 1 38 . ASP . 25397 1 39 . ASP . 25397 1 40 . MET . 25397 1 41 . GLY . 25397 1 42 . MET . 25397 1 43 . MET . 25397 1 44 . ALA . 25397 1 45 . ASP . 25397 1 46 . SER . 25397 1 47 . VAL . 25397 1 48 . ASN . 25397 1 49 . SER . 25397 1 50 . GLN . 25397 1 51 . MET . 25397 1 52 . GLN . 25397 1 53 . LYS . 25397 1 54 . MET . 25397 1 55 . GLY . 25397 1 56 . PRO . 25397 1 57 . ASN . 25397 1 58 . PRO . 25397 1 59 . PRO . 25397 1 60 . GLN . 25397 1 61 . HIS . 25397 1 62 . ARG . 25397 1 63 . LEU . 25397 1 64 . ARG . 25397 1 65 . ALA . 25397 1 66 . MET . 25397 1 67 . ASN . 25397 1 68 . THR . 25397 1 69 . ALA . 25397 1 70 . MET . 25397 1 71 . ALA . 25397 1 72 . ALA . 25397 1 73 . GLU . 25397 1 74 . VAL . 25397 1 75 . ALA . 25397 1 76 . GLU . 25397 1 77 . VAL . 25397 1 78 . VAL . 25397 1 79 . ALA . 25397 1 80 . THR . 25397 1 81 . SER . 25397 1 82 . PRO . 25397 1 83 . PRO . 25397 1 84 . GLN . 25397 1 85 . SER . 25397 1 86 . TYR . 25397 1 87 . SER . 25397 1 88 . ALA . 25397 1 89 . VAL . 25397 1 90 . LEU . 25397 1 91 . ASN . 25397 1 92 . THR . 25397 1 93 . ILE . 25397 1 94 . GLY . 25397 1 95 . ALA . 25397 1 96 . CYS . 25397 1 97 . LEU . 25397 1 98 . ARG . 25397 1 99 . GLU . 25397 1 100 . SER . 25397 1 101 . MET . 25397 1 102 . MET . 25397 1 103 . GLN . 25397 1 104 . ALA . 25397 1 105 . THR . 25397 1 106 . GLY . 25397 1 107 . SER . 25397 1 108 . VAL . 25397 1 109 . ASP . 25397 1 110 . ASN . 25397 1 111 . ALA . 25397 1 112 . PHE . 25397 1 113 . THR . 25397 1 114 . ASN . 25397 1 115 . GLU . 25397 1 116 . VAL . 25397 1 117 . MET . 25397 1 118 . GLN . 25397 1 119 . LEU . 25397 1 120 . VAL . 25397 1 121 . LYS . 25397 1 122 . MET . 25397 1 123 . LEU . 25397 1 124 . SER . 25397 1 125 . ALA . 25397 1 126 . ASP . 25397 1 127 . SER . 25397 1 128 . ALA . 25397 1 129 . ASN . 25397 1 130 . GLU . 25397 1 131 . VAL . 25397 1 132 . SER . 25397 1 133 . THR . 25397 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 25397 1 . SER 2 2 25397 1 . GLY 3 3 25397 1 . ASN 4 4 25397 1 . SER 5 5 25397 1 . GLN 6 6 25397 1 . PRO 7 7 25397 1 . ILE 8 8 25397 1 . TRP 9 9 25397 1 . THR 10 10 25397 1 . ASN 11 11 25397 1 . PRO 12 12 25397 1 . ASN 13 13 25397 1 . ALA 14 14 25397 1 . ALA 15 15 25397 1 . MET 16 16 25397 1 . THR 17 17 25397 1 . MET 18 18 25397 1 . THR 19 19 25397 1 . ASN 20 20 25397 1 . ASN 21 21 25397 1 . LEU 22 22 25397 1 . VAL 23 23 25397 1 . GLN 24 24 25397 1 . CYS 25 25 25397 1 . ALA 26 26 25397 1 . SER 27 27 25397 1 . ARG 28 28 25397 1 . SER 29 29 25397 1 . GLY 30 30 25397 1 . VAL 31 31 25397 1 . LEU 32 32 25397 1 . THR 33 33 25397 1 . ALA 34 34 25397 1 . ASP 35 35 25397 1 . GLN 36 36 25397 1 . MET 37 37 25397 1 . ASP 38 38 25397 1 . ASP 39 39 25397 1 . MET 40 40 25397 1 . GLY 41 41 25397 1 . MET 42 42 25397 1 . MET 43 43 25397 1 . ALA 44 44 25397 1 . ASP 45 45 25397 1 . SER 46 46 25397 1 . VAL 47 47 25397 1 . ASN 48 48 25397 1 . SER 49 49 25397 1 . GLN 50 50 25397 1 . MET 51 51 25397 1 . GLN 52 52 25397 1 . LYS 53 53 25397 1 . MET 54 54 25397 1 . GLY 55 55 25397 1 . PRO 56 56 25397 1 . ASN 57 57 25397 1 . PRO 58 58 25397 1 . PRO 59 59 25397 1 . GLN 60 60 25397 1 . HIS 61 61 25397 1 . ARG 62 62 25397 1 . LEU 63 63 25397 1 . ARG 64 64 25397 1 . ALA 65 65 25397 1 . MET 66 66 25397 1 . ASN 67 67 25397 1 . THR 68 68 25397 1 . ALA 69 69 25397 1 . MET 70 70 25397 1 . ALA 71 71 25397 1 . ALA 72 72 25397 1 . GLU 73 73 25397 1 . VAL 74 74 25397 1 . ALA 75 75 25397 1 . GLU 76 76 25397 1 . VAL 77 77 25397 1 . VAL 78 78 25397 1 . ALA 79 79 25397 1 . THR 80 80 25397 1 . SER 81 81 25397 1 . PRO 82 82 25397 1 . PRO 83 83 25397 1 . GLN 84 84 25397 1 . SER 85 85 25397 1 . TYR 86 86 25397 1 . SER 87 87 25397 1 . ALA 88 88 25397 1 . VAL 89 89 25397 1 . LEU 90 90 25397 1 . ASN 91 91 25397 1 . THR 92 92 25397 1 . ILE 93 93 25397 1 . GLY 94 94 25397 1 . ALA 95 95 25397 1 . CYS 96 96 25397 1 . LEU 97 97 25397 1 . ARG 98 98 25397 1 . GLU 99 99 25397 1 . SER 100 100 25397 1 . MET 101 101 25397 1 . MET 102 102 25397 1 . GLN 103 103 25397 1 . ALA 104 104 25397 1 . THR 105 105 25397 1 . GLY 106 106 25397 1 . SER 107 107 25397 1 . VAL 108 108 25397 1 . ASP 109 109 25397 1 . ASN 110 110 25397 1 . ALA 111 111 25397 1 . PHE 112 112 25397 1 . THR 113 113 25397 1 . ASN 114 114 25397 1 . GLU 115 115 25397 1 . VAL 116 116 25397 1 . MET 117 117 25397 1 . GLN 118 118 25397 1 . LEU 119 119 25397 1 . VAL 120 120 25397 1 . LYS 121 121 25397 1 . MET 122 122 25397 1 . LEU 123 123 25397 1 . SER 124 124 25397 1 . ALA 125 125 25397 1 . ASP 126 126 25397 1 . SER 127 127 25397 1 . ALA 128 128 25397 1 . ASN 129 129 25397 1 . GLU 130 130 25397 1 . VAL 131 131 25397 1 . SER 132 132 25397 1 . THR 133 133 25397 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 25397 _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 . . . . . . . . . . . . . 25397 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 25397 _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 . . . 25397 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25397 _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 . . 0.95 . . mM . . . . 25397 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25397 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25397 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 25397 1 5 'protease inhibitor cocktail' 'natural abundance' . . . . . . 0.01 . . tablet/100mL . . . . 25397 1 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 25397 _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' 0.085 . M 25397 1 pH 7.2 . pH 25397 1 pressure 1 . atm 25397 1 temperature 298 . K 25397 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25397 _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 . . 25397 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25397 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25397 _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' . . 25397 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25397 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25397 _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' . . 25397 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25397 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25397 _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' . . 25397 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25397 4 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 25397 _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' . . 25397 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25397 5 'peak picking' 25397 5 'structure solution' 25397 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25397 _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' . . 25397 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25397 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 25397 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25397 _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' . . 25397 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 25397 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25397 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25397 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25397 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25397 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25397 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25397 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25397 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25397 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 25397 _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 4.77 internal indirect 0.251449530 . . . . . . . . . 25397 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . . . . . 25397 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.101329118 . . . . . . . . . 25397 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 25397 _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' . . . 25397 1 2 '3D CBCA(CO)NH' . . . 25397 1 3 '3D HNCO' . . . 25397 1 4 '3D HNCA' . . . 25397 1 5 '3D HN(CA)CO' . . . 25397 1 6 '3D 1H-13C NOESY aliphatic' . . . 25397 1 7 '3D 1H-13C NOESY aromatic' . . . 25397 1 8 '3D 1H-15N NOESY' . . . 25397 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CARA . . 25397 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 5 5 SER H H 1 8.325 0.000 . 1 . . . A 5 SER H . 25397 1 2 . 1 1 5 5 SER HA H 1 4.435 0.000 . 1 . . . A 5 SER HA . 25397 1 3 . 1 1 5 5 SER HB2 H 1 3.837 0.000 . 2 . . . A 5 SER HB2 . 25397 1 4 . 1 1 5 5 SER HB3 H 1 3.837 0.000 . 2 . . . A 5 SER HB3 . 25397 1 5 . 1 1 5 5 SER C C 13 174.089 0.000 . 1 . . . A 5 SER C . 25397 1 6 . 1 1 5 5 SER CA C 13 58.194 0.000 . 1 . . . A 5 SER CA . 25397 1 7 . 1 1 5 5 SER CB C 13 63.627 0.000 . 1 . . . A 5 SER CB . 25397 1 8 . 1 1 5 5 SER N N 15 116.415 0.000 . 1 . . . A 5 SER N . 25397 1 9 . 1 1 6 6 GLN H H 1 8.417 0.000 . 1 . . . A 6 GLN H . 25397 1 10 . 1 1 6 6 GLN HA H 1 4.634 0.000 . 1 . . . A 6 GLN HA . 25397 1 11 . 1 1 6 6 GLN HB2 H 1 2.035 0.000 . 2 . . . A 6 GLN HB2 . 25397 1 12 . 1 1 6 6 GLN HB3 H 1 1.857 0.000 . 2 . . . A 6 GLN HB3 . 25397 1 13 . 1 1 6 6 GLN HG2 H 1 2.324 0.000 . 2 . . . A 6 GLN HG2 . 25397 1 14 . 1 1 6 6 GLN HG3 H 1 2.324 0.000 . 2 . . . A 6 GLN HG3 . 25397 1 15 . 1 1 6 6 GLN HE21 H 1 6.875 0.000 . 2 . . . A 6 GLN HE21 . 25397 1 16 . 1 1 6 6 GLN HE22 H 1 7.500 0.000 . 2 . . . A 6 GLN HE22 . 25397 1 17 . 1 1 6 6 GLN C C 13 173.798 0.000 . 1 . . . A 6 GLN C . 25397 1 18 . 1 1 6 6 GLN CA C 13 53.518 0.000 . 1 . . . A 6 GLN CA . 25397 1 19 . 1 1 6 6 GLN CB C 13 29.017 0.000 . 1 . . . A 6 GLN CB . 25397 1 20 . 1 1 6 6 GLN CG C 13 33.411 0.000 . 1 . . . A 6 GLN CG . 25397 1 21 . 1 1 6 6 GLN N N 15 122.629 0.000 . 1 . . . A 6 GLN N . 25397 1 22 . 1 1 6 6 GLN NE2 N 15 112.181 0.000 . 1 . . . A 6 GLN NE2 . 25397 1 23 . 1 1 7 7 PRO HA H 1 4.422 0.000 . 1 . . . A 7 PRO HA . 25397 1 24 . 1 1 7 7 PRO HB2 H 1 2.394 0.000 . 2 . . . A 7 PRO HB2 . 25397 1 25 . 1 1 7 7 PRO HB3 H 1 2.142 0.000 . 2 . . . A 7 PRO HB3 . 25397 1 26 . 1 1 7 7 PRO HG2 H 1 2.080 0.000 . 2 . . . A 7 PRO HG2 . 25397 1 27 . 1 1 7 7 PRO HG3 H 1 2.129 0.000 . 2 . . . A 7 PRO HG3 . 25397 1 28 . 1 1 7 7 PRO HD2 H 1 3.575 0.000 . 2 . . . A 7 PRO HD2 . 25397 1 29 . 1 1 7 7 PRO HD3 H 1 3.900 0.000 . 2 . . . A 7 PRO HD3 . 25397 1 30 . 1 1 7 7 PRO CA C 13 62.550 0.000 . 1 . . . A 7 PRO CA . 25397 1 31 . 1 1 7 7 PRO CB C 13 31.343 0.000 . 1 . . . A 7 PRO CB . 25397 1 32 . 1 1 7 7 PRO CG C 13 27.656 0.000 . 1 . . . A 7 PRO CG . 25397 1 33 . 1 1 7 7 PRO CD C 13 50.317 0.000 . 1 . . . A 7 PRO CD . 25397 1 34 . 1 1 8 8 ILE H H 1 8.619 0.000 . 1 . . . A 8 ILE H . 25397 1 35 . 1 1 8 8 ILE HA H 1 4.424 0.000 . 1 . . . A 8 ILE HA . 25397 1 36 . 1 1 8 8 ILE HB H 1 1.242 0.000 . 1 . . . A 8 ILE HB . 25397 1 37 . 1 1 8 8 ILE HG12 H 1 0.711 0.000 . 2 . . . A 8 ILE HG12 . 25397 1 38 . 1 1 8 8 ILE HG13 H 1 0.861 0.000 . 2 . . . A 8 ILE HG13 . 25397 1 39 . 1 1 8 8 ILE HG21 H 1 -0.634 0.000 . 1 . . . A 8 ILE HG21 . 25397 1 40 . 1 1 8 8 ILE HG22 H 1 -0.634 0.000 . 1 . . . A 8 ILE HG21 . 25397 1 41 . 1 1 8 8 ILE HG23 H 1 -0.634 0.000 . 1 . . . A 8 ILE HG21 . 25397 1 42 . 1 1 8 8 ILE HD11 H 1 0.499 0.000 . 1 . . . A 8 ILE HD11 . 25397 1 43 . 1 1 8 8 ILE HD12 H 1 0.499 0.000 . 1 . . . A 8 ILE HD11 . 25397 1 44 . 1 1 8 8 ILE HD13 H 1 0.499 0.000 . 1 . . . A 8 ILE HD11 . 25397 1 45 . 1 1 8 8 ILE C C 13 175.228 0.000 . 1 . . . A 8 ILE C . 25397 1 46 . 1 1 8 8 ILE CA C 13 62.744 0.000 . 1 . . . A 8 ILE CA . 25397 1 47 . 1 1 8 8 ILE CB C 13 37.459 0.000 . 1 . . . A 8 ILE CB . 25397 1 48 . 1 1 8 8 ILE CG1 C 13 28.312 0.000 . 1 . . . A 8 ILE CG1 . 25397 1 49 . 1 1 8 8 ILE CG2 C 13 14.826 0.000 . 1 . . . A 8 ILE CG2 . 25397 1 50 . 1 1 8 8 ILE CD1 C 13 14.518 0.000 . 1 . . . A 8 ILE CD1 . 25397 1 51 . 1 1 8 8 ILE N N 15 124.785 0.000 . 1 . . . A 8 ILE N . 25397 1 52 . 1 1 9 9 TRP H H 1 6.092 0.000 . 1 . . . A 9 TRP H . 25397 1 53 . 1 1 9 9 TRP HA H 1 4.399 0.000 . 1 . . . A 9 TRP HA . 25397 1 54 . 1 1 9 9 TRP HB2 H 1 3.520 0.000 . 2 . . . A 9 TRP HB2 . 25397 1 55 . 1 1 9 9 TRP HB3 H 1 2.655 0.000 . 2 . . . A 9 TRP HB3 . 25397 1 56 . 1 1 9 9 TRP HD1 H 1 7.204 0.000 . 1 . . . A 9 TRP HD1 . 25397 1 57 . 1 1 9 9 TRP HE1 H 1 10.771 0.000 . 1 . . . A 9 TRP HE1 . 25397 1 58 . 1 1 9 9 TRP HE3 H 1 7.499 0.000 . 1 . . . A 9 TRP HE3 . 25397 1 59 . 1 1 9 9 TRP HZ2 H 1 7.343 0.000 . 1 . . . A 9 TRP HZ2 . 25397 1 60 . 1 1 9 9 TRP HZ3 H 1 6.875 0.000 . 1 . . . A 9 TRP HZ3 . 25397 1 61 . 1 1 9 9 TRP HH2 H 1 7.235 0.000 . 1 . . . A 9 TRP HH2 . 25397 1 62 . 1 1 9 9 TRP C C 13 175.255 0.000 . 1 . . . A 9 TRP C . 25397 1 63 . 1 1 9 9 TRP CA C 13 55.572 0.000 . 1 . . . A 9 TRP CA . 25397 1 64 . 1 1 9 9 TRP CB C 13 30.628 0.000 . 1 . . . A 9 TRP CB . 25397 1 65 . 1 1 9 9 TRP CD1 C 13 126.774 0.000 . 1 . . . A 9 TRP CD1 . 25397 1 66 . 1 1 9 9 TRP CE3 C 13 120.227 0.000 . 1 . . . A 9 TRP CE3 . 25397 1 67 . 1 1 9 9 TRP CZ2 C 13 113.683 0.000 . 1 . . . A 9 TRP CZ2 . 25397 1 68 . 1 1 9 9 TRP CZ3 C 13 121.000 0.000 . 1 . . . A 9 TRP CZ3 . 25397 1 69 . 1 1 9 9 TRP CH2 C 13 124.909 0.000 . 1 . . . A 9 TRP CH2 . 25397 1 70 . 1 1 9 9 TRP N N 15 115.085 0.000 . 1 . . . A 9 TRP N . 25397 1 71 . 1 1 9 9 TRP NE1 N 15 130.338 0.000 . 1 . . . A 9 TRP NE1 . 25397 1 72 . 1 1 10 10 THR H H 1 7.485 0.000 . 1 . . . A 10 THR H . 25397 1 73 . 1 1 10 10 THR HA H 1 4.247 0.000 . 1 . . . A 10 THR HA . 25397 1 74 . 1 1 10 10 THR HB H 1 4.472 0.000 . 1 . . . A 10 THR HB . 25397 1 75 . 1 1 10 10 THR HG1 H 1 5.058 0.000 . 1 . . . A 10 THR HG1 . 25397 1 76 . 1 1 10 10 THR HG21 H 1 1.250 0.000 . 1 . . . A 10 THR HG21 . 25397 1 77 . 1 1 10 10 THR HG22 H 1 1.250 0.000 . 1 . . . A 10 THR HG21 . 25397 1 78 . 1 1 10 10 THR HG23 H 1 1.250 0.000 . 1 . . . A 10 THR HG21 . 25397 1 79 . 1 1 10 10 THR C C 13 173.550 0.000 . 1 . . . A 10 THR C . 25397 1 80 . 1 1 10 10 THR CA C 13 62.458 0.000 . 1 . . . A 10 THR CA . 25397 1 81 . 1 1 10 10 THR CB C 13 69.351 0.000 . 1 . . . A 10 THR CB . 25397 1 82 . 1 1 10 10 THR CG2 C 13 22.400 0.000 . 1 . . . A 10 THR CG2 . 25397 1 83 . 1 1 10 10 THR N N 15 104.080 0.000 . 1 . . . A 10 THR N . 25397 1 84 . 1 1 11 11 ASN H H 1 7.831 0.000 . 1 . . . A 11 ASN H . 25397 1 85 . 1 1 11 11 ASN HA H 1 5.225 0.000 . 1 . . . A 11 ASN HA . 25397 1 86 . 1 1 11 11 ASN HB2 H 1 2.605 0.000 . 2 . . . A 11 ASN HB2 . 25397 1 87 . 1 1 11 11 ASN HB3 H 1 3.171 0.000 . 2 . . . A 11 ASN HB3 . 25397 1 88 . 1 1 11 11 ASN HD21 H 1 7.728 0.000 . 2 . . . A 11 ASN HD21 . 25397 1 89 . 1 1 11 11 ASN HD22 H 1 6.980 0.000 . 2 . . . A 11 ASN HD22 . 25397 1 90 . 1 1 11 11 ASN CA C 13 49.657 0.000 . 1 . . . A 11 ASN CA . 25397 1 91 . 1 1 11 11 ASN CB C 13 38.857 0.000 . 1 . . . A 11 ASN CB . 25397 1 92 . 1 1 11 11 ASN N N 15 120.167 0.000 . 1 . . . A 11 ASN N . 25397 1 93 . 1 1 11 11 ASN ND2 N 15 112.569 0.000 . 1 . . . A 11 ASN ND2 . 25397 1 94 . 1 1 12 12 PRO HA H 1 4.283 0.000 . 1 . . . A 12 PRO HA . 25397 1 95 . 1 1 12 12 PRO HB2 H 1 2.361 0.000 . 2 . . . A 12 PRO HB2 . 25397 1 96 . 1 1 12 12 PRO HB3 H 1 2.020 0.000 . 2 . . . A 12 PRO HB3 . 25397 1 97 . 1 1 12 12 PRO HG2 H 1 2.150 0.000 . 2 . . . A 12 PRO HG2 . 25397 1 98 . 1 1 12 12 PRO HG3 H 1 2.150 0.000 . 2 . . . A 12 PRO HG3 . 25397 1 99 . 1 1 12 12 PRO HD2 H 1 3.930 0.000 . 2 . . . A 12 PRO HD2 . 25397 1 100 . 1 1 12 12 PRO HD3 H 1 3.668 0.000 . 2 . . . A 12 PRO HD3 . 25397 1 101 . 1 1 12 12 PRO CA C 13 65.699 0.000 . 1 . . . A 12 PRO CA . 25397 1 102 . 1 1 12 12 PRO CB C 13 32.203 0.000 . 1 . . . A 12 PRO CB . 25397 1 103 . 1 1 12 12 PRO CG C 13 27.681 0.000 . 1 . . . A 12 PRO CG . 25397 1 104 . 1 1 12 12 PRO CD C 13 50.306 0.000 . 1 . . . A 12 PRO CD . 25397 1 105 . 1 1 13 13 ASN H H 1 8.325 0.000 . 1 . . . A 13 ASN H . 25397 1 106 . 1 1 13 13 ASN HA H 1 4.468 0.000 . 1 . . . A 13 ASN HA . 25397 1 107 . 1 1 13 13 ASN HB2 H 1 2.804 0.000 . 2 . . . A 13 ASN HB2 . 25397 1 108 . 1 1 13 13 ASN HB3 H 1 2.829 0.000 . 2 . . . A 13 ASN HB3 . 25397 1 109 . 1 1 13 13 ASN HD21 H 1 7.709 0.000 . 2 . . . A 13 ASN HD21 . 25397 1 110 . 1 1 13 13 ASN HD22 H 1 7.001 0.000 . 2 . . . A 13 ASN HD22 . 25397 1 111 . 1 1 13 13 ASN C C 13 178.162 0.000 . 1 . . . A 13 ASN C . 25397 1 112 . 1 1 13 13 ASN CA C 13 56.545 0.000 . 1 . . . A 13 ASN CA . 25397 1 113 . 1 1 13 13 ASN CB C 13 38.154 0.000 . 1 . . . A 13 ASN CB . 25397 1 114 . 1 1 13 13 ASN N N 15 114.683 0.000 . 1 . . . A 13 ASN N . 25397 1 115 . 1 1 13 13 ASN ND2 N 15 113.165 0.000 . 1 . . . A 13 ASN ND2 . 25397 1 116 . 1 1 14 14 ALA H H 1 7.526 0.000 . 1 . . . A 14 ALA H . 25397 1 117 . 1 1 14 14 ALA HA H 1 4.174 0.000 . 1 . . . A 14 ALA HA . 25397 1 118 . 1 1 14 14 ALA HB1 H 1 1.328 0.000 . 1 . . . A 14 ALA HB1 . 25397 1 119 . 1 1 14 14 ALA HB2 H 1 1.328 0.000 . 1 . . . A 14 ALA HB1 . 25397 1 120 . 1 1 14 14 ALA HB3 H 1 1.328 0.000 . 1 . . . A 14 ALA HB1 . 25397 1 121 . 1 1 14 14 ALA C C 13 179.311 0.000 . 1 . . . A 14 ALA C . 25397 1 122 . 1 1 14 14 ALA CA C 13 54.562 0.000 . 1 . . . A 14 ALA CA . 25397 1 123 . 1 1 14 14 ALA CB C 13 18.110 0.000 . 1 . . . A 14 ALA CB . 25397 1 124 . 1 1 14 14 ALA N N 15 124.198 0.000 . 1 . . . A 14 ALA N . 25397 1 125 . 1 1 15 15 ALA H H 1 8.588 0.000 . 1 . . . A 15 ALA H . 25397 1 126 . 1 1 15 15 ALA HA H 1 3.574 0.000 . 1 . . . A 15 ALA HA . 25397 1 127 . 1 1 15 15 ALA HB1 H 1 1.397 0.000 . 1 . . . A 15 ALA HB1 . 25397 1 128 . 1 1 15 15 ALA HB2 H 1 1.397 0.000 . 1 . . . A 15 ALA HB1 . 25397 1 129 . 1 1 15 15 ALA HB3 H 1 1.397 0.000 . 1 . . . A 15 ALA HB1 . 25397 1 130 . 1 1 15 15 ALA C C 13 180.242 0.000 . 1 . . . A 15 ALA C . 25397 1 131 . 1 1 15 15 ALA CA C 13 55.413 0.000 . 1 . . . A 15 ALA CA . 25397 1 132 . 1 1 15 15 ALA CB C 13 18.440 0.000 . 1 . . . A 15 ALA CB . 25397 1 133 . 1 1 15 15 ALA N N 15 120.896 0.000 . 1 . . . A 15 ALA N . 25397 1 134 . 1 1 16 16 MET H H 1 8.346 0.000 . 1 . . . A 16 MET H . 25397 1 135 . 1 1 16 16 MET HA H 1 4.454 0.000 . 1 . . . A 16 MET HA . 25397 1 136 . 1 1 16 16 MET HB2 H 1 2.185 0.000 . 2 . . . A 16 MET HB2 . 25397 1 137 . 1 1 16 16 MET HB3 H 1 2.094 0.000 . 2 . . . A 16 MET HB3 . 25397 1 138 . 1 1 16 16 MET HG2 H 1 2.475 0.000 . 2 . . . A 16 MET HG2 . 25397 1 139 . 1 1 16 16 MET HG3 H 1 2.767 0.000 . 2 . . . A 16 MET HG3 . 25397 1 140 . 1 1 16 16 MET HE1 H 1 2.071 0.000 . 1 . . . A 16 MET HE1 . 25397 1 141 . 1 1 16 16 MET HE2 H 1 2.071 0.000 . 1 . . . A 16 MET HE1 . 25397 1 142 . 1 1 16 16 MET HE3 H 1 2.071 0.000 . 1 . . . A 16 MET HE1 . 25397 1 143 . 1 1 16 16 MET C C 13 178.322 0.000 . 1 . . . A 16 MET C . 25397 1 144 . 1 1 16 16 MET CA C 13 58.110 0.000 . 1 . . . A 16 MET CA . 25397 1 145 . 1 1 16 16 MET CB C 13 32.140 0.000 . 1 . . . A 16 MET CB . 25397 1 146 . 1 1 16 16 MET CG C 13 31.961 0.000 . 1 . . . A 16 MET CG . 25397 1 147 . 1 1 16 16 MET CE C 13 16.506 0.000 . 1 . . . A 16 MET CE . 25397 1 148 . 1 1 16 16 MET N N 15 117.464 0.000 . 1 . . . A 16 MET N . 25397 1 149 . 1 1 17 17 THR H H 1 7.920 0.000 . 1 . . . A 17 THR H . 25397 1 150 . 1 1 17 17 THR HA H 1 4.002 0.000 . 1 . . . A 17 THR HA . 25397 1 151 . 1 1 17 17 THR HB H 1 4.341 0.000 . 1 . . . A 17 THR HB . 25397 1 152 . 1 1 17 17 THR HG21 H 1 1.209 0.000 . 1 . . . A 17 THR HG21 . 25397 1 153 . 1 1 17 17 THR HG22 H 1 1.209 0.000 . 1 . . . A 17 THR HG21 . 25397 1 154 . 1 1 17 17 THR HG23 H 1 1.209 0.000 . 1 . . . A 17 THR HG21 . 25397 1 155 . 1 1 17 17 THR C C 13 176.334 0.000 . 1 . . . A 17 THR C . 25397 1 156 . 1 1 17 17 THR CA C 13 66.809 0.000 . 1 . . . A 17 THR CA . 25397 1 157 . 1 1 17 17 THR CB C 13 68.252 0.000 . 1 . . . A 17 THR CB . 25397 1 158 . 1 1 17 17 THR CG2 C 13 21.121 0.000 . 1 . . . A 17 THR CG2 . 25397 1 159 . 1 1 17 17 THR N N 15 118.267 0.000 . 1 . . . A 17 THR N . 25397 1 160 . 1 1 18 18 MET H H 1 8.508 0.000 . 1 . . . A 18 MET H . 25397 1 161 . 1 1 18 18 MET HA H 1 3.781 0.000 . 1 . . . A 18 MET HA . 25397 1 162 . 1 1 18 18 MET HB2 H 1 1.674 0.000 . 2 . . . A 18 MET HB2 . 25397 1 163 . 1 1 18 18 MET HB3 H 1 2.129 0.000 . 2 . . . A 18 MET HB3 . 25397 1 164 . 1 1 18 18 MET HG2 H 1 2.380 0.000 . 2 . . . A 18 MET HG2 . 25397 1 165 . 1 1 18 18 MET HG3 H 1 2.380 0.000 . 2 . . . A 18 MET HG3 . 25397 1 166 . 1 1 18 18 MET HE1 H 1 1.767 0.000 . 1 . . . A 18 MET HE1 . 25397 1 167 . 1 1 18 18 MET HE2 H 1 1.767 0.000 . 1 . . . A 18 MET HE1 . 25397 1 168 . 1 1 18 18 MET HE3 H 1 1.767 0.000 . 1 . . . A 18 MET HE1 . 25397 1 169 . 1 1 18 18 MET C C 13 177.536 0.000 . 1 . . . A 18 MET C . 25397 1 170 . 1 1 18 18 MET CA C 13 59.838 0.000 . 1 . . . A 18 MET CA . 25397 1 171 . 1 1 18 18 MET CB C 13 31.272 0.000 . 1 . . . A 18 MET CB . 25397 1 172 . 1 1 18 18 MET CG C 13 31.271 0.000 . 1 . . . A 18 MET CG . 25397 1 173 . 1 1 18 18 MET CE C 13 17.045 0.000 . 1 . . . A 18 MET CE . 25397 1 174 . 1 1 18 18 MET N N 15 122.052 0.000 . 1 . . . A 18 MET N . 25397 1 175 . 1 1 19 19 THR H H 1 8.386 0.000 . 1 . . . A 19 THR H . 25397 1 176 . 1 1 19 19 THR HA H 1 3.697 0.000 . 1 . . . A 19 THR HA . 25397 1 177 . 1 1 19 19 THR HB H 1 4.251 0.000 . 1 . . . A 19 THR HB . 25397 1 178 . 1 1 19 19 THR HG1 H 1 4.925 0.000 . 1 . . . A 19 THR HG1 . 25397 1 179 . 1 1 19 19 THR HG21 H 1 1.310 0.000 . 1 . . . A 19 THR HG21 . 25397 1 180 . 1 1 19 19 THR HG22 H 1 1.310 0.000 . 1 . . . A 19 THR HG21 . 25397 1 181 . 1 1 19 19 THR HG23 H 1 1.310 0.000 . 1 . . . A 19 THR HG21 . 25397 1 182 . 1 1 19 19 THR C C 13 176.402 0.000 . 1 . . . A 19 THR C . 25397 1 183 . 1 1 19 19 THR CA C 13 67.379 0.000 . 1 . . . A 19 THR CA . 25397 1 184 . 1 1 19 19 THR CB C 13 68.018 0.000 . 1 . . . A 19 THR CB . 25397 1 185 . 1 1 19 19 THR CG2 C 13 22.145 0.000 . 1 . . . A 19 THR CG2 . 25397 1 186 . 1 1 19 19 THR N N 15 114.823 0.000 . 1 . . . A 19 THR N . 25397 1 187 . 1 1 20 20 ASN H H 1 8.453 0.000 . 1 . . . A 20 ASN H . 25397 1 188 . 1 1 20 20 ASN HA H 1 4.481 0.000 . 1 . . . A 20 ASN HA . 25397 1 189 . 1 1 20 20 ASN HB2 H 1 2.765 0.000 . 2 . . . A 20 ASN HB2 . 25397 1 190 . 1 1 20 20 ASN HB3 H 1 2.947 0.000 . 2 . . . A 20 ASN HB3 . 25397 1 191 . 1 1 20 20 ASN HD21 H 1 7.542 0.000 . 2 . . . A 20 ASN HD21 . 25397 1 192 . 1 1 20 20 ASN HD22 H 1 6.895 0.000 . 2 . . . A 20 ASN HD22 . 25397 1 193 . 1 1 20 20 ASN C C 13 178.657 0.000 . 1 . . . A 20 ASN C . 25397 1 194 . 1 1 20 20 ASN CA C 13 56.440 0.000 . 1 . . . A 20 ASN CA . 25397 1 195 . 1 1 20 20 ASN CB C 13 38.098 0.000 . 1 . . . A 20 ASN CB . 25397 1 196 . 1 1 20 20 ASN N N 15 119.445 0.000 . 1 . . . A 20 ASN N . 25397 1 197 . 1 1 20 20 ASN ND2 N 15 112.041 0.000 . 1 . . . A 20 ASN ND2 . 25397 1 198 . 1 1 21 21 ASN H H 1 8.615 0.000 . 1 . . . A 21 ASN H . 25397 1 199 . 1 1 21 21 ASN HA H 1 4.370 0.000 . 1 . . . A 21 ASN HA . 25397 1 200 . 1 1 21 21 ASN HB2 H 1 3.005 0.000 . 2 . . . A 21 ASN HB2 . 25397 1 201 . 1 1 21 21 ASN HB3 H 1 2.823 0.000 . 2 . . . A 21 ASN HB3 . 25397 1 202 . 1 1 21 21 ASN HD21 H 1 7.432 0.000 . 2 . . . A 21 ASN HD21 . 25397 1 203 . 1 1 21 21 ASN HD22 H 1 7.034 0.000 . 2 . . . A 21 ASN HD22 . 25397 1 204 . 1 1 21 21 ASN C C 13 177.168 0.000 . 1 . . . A 21 ASN C . 25397 1 205 . 1 1 21 21 ASN CA C 13 56.473 0.000 . 1 . . . A 21 ASN CA . 25397 1 206 . 1 1 21 21 ASN CB C 13 37.517 0.000 . 1 . . . A 21 ASN CB . 25397 1 207 . 1 1 21 21 ASN N N 15 119.747 0.000 . 1 . . . A 21 ASN N . 25397 1 208 . 1 1 21 21 ASN ND2 N 15 111.083 0.000 . 1 . . . A 21 ASN ND2 . 25397 1 209 . 1 1 22 22 LEU H H 1 8.608 0.000 . 1 . . . A 22 LEU H . 25397 1 210 . 1 1 22 22 LEU HA H 1 3.823 0.000 . 1 . . . A 22 LEU HA . 25397 1 211 . 1 1 22 22 LEU HB2 H 1 2.370 0.000 . 2 . . . A 22 LEU HB2 . 25397 1 212 . 1 1 22 22 LEU HB3 H 1 1.615 0.000 . 2 . . . A 22 LEU HB3 . 25397 1 213 . 1 1 22 22 LEU HG H 1 1.402 0.000 . 1 . . . A 22 LEU HG . 25397 1 214 . 1 1 22 22 LEU HD11 H 1 0.852 0.000 . 2 . . . A 22 LEU HD11 . 25397 1 215 . 1 1 22 22 LEU HD12 H 1 0.852 0.000 . 2 . . . A 22 LEU HD11 . 25397 1 216 . 1 1 22 22 LEU HD13 H 1 0.852 0.000 . 2 . . . A 22 LEU HD11 . 25397 1 217 . 1 1 22 22 LEU HD21 H 1 0.852 0.000 . 2 . . . A 22 LEU HD21 . 25397 1 218 . 1 1 22 22 LEU HD22 H 1 0.852 0.000 . 2 . . . A 22 LEU HD21 . 25397 1 219 . 1 1 22 22 LEU HD23 H 1 0.852 0.000 . 2 . . . A 22 LEU HD21 . 25397 1 220 . 1 1 22 22 LEU C C 13 178.031 0.000 . 1 . . . A 22 LEU C . 25397 1 221 . 1 1 22 22 LEU CA C 13 59.305 0.000 . 1 . . . A 22 LEU CA . 25397 1 222 . 1 1 22 22 LEU CB C 13 41.445 0.000 . 1 . . . A 22 LEU CB . 25397 1 223 . 1 1 22 22 LEU CG C 13 27.322 0.000 . 1 . . . A 22 LEU CG . 25397 1 224 . 1 1 22 22 LEU CD1 C 13 23.745 0.000 . 2 . . . A 22 LEU CD1 . 25397 1 225 . 1 1 22 22 LEU CD2 C 13 23.989 0.000 . 2 . . . A 22 LEU CD2 . 25397 1 226 . 1 1 22 22 LEU N N 15 125.132 0.000 . 1 . . . A 22 LEU N . 25397 1 227 . 1 1 23 23 VAL H H 1 7.653 0.000 . 1 . . . A 23 VAL H . 25397 1 228 . 1 1 23 23 VAL HA H 1 3.328 0.000 . 1 . . . A 23 VAL HA . 25397 1 229 . 1 1 23 23 VAL HB H 1 2.300 0.000 . 1 . . . A 23 VAL HB . 25397 1 230 . 1 1 23 23 VAL HG11 H 1 1.128 0.000 . 2 . . . A 23 VAL HG11 . 25397 1 231 . 1 1 23 23 VAL HG12 H 1 1.128 0.000 . 2 . . . A 23 VAL HG11 . 25397 1 232 . 1 1 23 23 VAL HG13 H 1 1.128 0.000 . 2 . . . A 23 VAL HG11 . 25397 1 233 . 1 1 23 23 VAL HG21 H 1 0.884 0.000 . 2 . . . A 23 VAL HG21 . 25397 1 234 . 1 1 23 23 VAL HG22 H 1 0.884 0.000 . 2 . . . A 23 VAL HG21 . 25397 1 235 . 1 1 23 23 VAL HG23 H 1 0.884 0.000 . 2 . . . A 23 VAL HG21 . 25397 1 236 . 1 1 23 23 VAL C C 13 178.523 0.000 . 1 . . . A 23 VAL C . 25397 1 237 . 1 1 23 23 VAL CA C 13 67.348 0.000 . 1 . . . A 23 VAL CA . 25397 1 238 . 1 1 23 23 VAL CB C 13 31.628 0.000 . 1 . . . A 23 VAL CB . 25397 1 239 . 1 1 23 23 VAL CG1 C 13 23.541 0.000 . 2 . . . A 23 VAL CG1 . 25397 1 240 . 1 1 23 23 VAL CG2 C 13 21.152 0.000 . 2 . . . A 23 VAL CG2 . 25397 1 241 . 1 1 23 23 VAL N N 15 118.539 0.000 . 1 . . . A 23 VAL N . 25397 1 242 . 1 1 24 24 GLN H H 1 7.920 0.000 . 1 . . . A 24 GLN H . 25397 1 243 . 1 1 24 24 GLN HA H 1 4.048 0.000 . 1 . . . A 24 GLN HA . 25397 1 244 . 1 1 24 24 GLN HB2 H 1 2.111 0.000 . 2 . . . A 24 GLN HB2 . 25397 1 245 . 1 1 24 24 GLN HB3 H 1 2.111 0.000 . 2 . . . A 24 GLN HB3 . 25397 1 246 . 1 1 24 24 GLN HG2 H 1 2.400 0.000 . 2 . . . A 24 GLN HG2 . 25397 1 247 . 1 1 24 24 GLN HG3 H 1 2.471 0.000 . 2 . . . A 24 GLN HG3 . 25397 1 248 . 1 1 24 24 GLN HE21 H 1 6.605 0.000 . 2 . . . A 24 GLN HE21 . 25397 1 249 . 1 1 24 24 GLN HE22 H 1 7.367 0.000 . 2 . . . A 24 GLN HE22 . 25397 1 250 . 1 1 24 24 GLN C C 13 178.060 0.000 . 1 . . . A 24 GLN C . 25397 1 251 . 1 1 24 24 GLN CA C 13 58.841 0.000 . 1 . . . A 24 GLN CA . 25397 1 252 . 1 1 24 24 GLN CB C 13 28.337 0.000 . 1 . . . A 24 GLN CB . 25397 1 253 . 1 1 24 24 GLN CG C 13 33.591 0.000 . 1 . . . A 24 GLN CG . 25397 1 254 . 1 1 24 24 GLN N N 15 119.213 0.000 . 1 . . . A 24 GLN N . 25397 1 255 . 1 1 24 24 GLN NE2 N 15 110.621 0.000 . 1 . . . A 24 GLN NE2 . 25397 1 256 . 1 1 25 25 CYS H H 1 8.946 0.000 . 1 . . . A 25 CYS H . 25397 1 257 . 1 1 25 25 CYS HA H 1 4.144 0.000 . 1 . . . A 25 CYS HA . 25397 1 258 . 1 1 25 25 CYS HB2 H 1 3.197 0.000 . 2 . . . A 25 CYS HB2 . 25397 1 259 . 1 1 25 25 CYS HB3 H 1 3.148 0.000 . 2 . . . A 25 CYS HB3 . 25397 1 260 . 1 1 25 25 CYS C C 13 177.183 0.000 . 1 . . . A 25 CYS C . 25397 1 261 . 1 1 25 25 CYS CA C 13 59.518 0.000 . 1 . . . A 25 CYS CA . 25397 1 262 . 1 1 25 25 CYS CB C 13 35.688 0.000 . 1 . . . A 25 CYS CB . 25397 1 263 . 1 1 25 25 CYS N N 15 120.418 0.000 . 1 . . . A 25 CYS N . 25397 1 264 . 1 1 26 26 ALA H H 1 8.602 0.000 . 1 . . . A 26 ALA H . 25397 1 265 . 1 1 26 26 ALA HA H 1 3.792 0.000 . 1 . . . A 26 ALA HA . 25397 1 266 . 1 1 26 26 ALA HB1 H 1 1.400 0.000 . 1 . . . A 26 ALA HB1 . 25397 1 267 . 1 1 26 26 ALA HB2 H 1 1.400 0.000 . 1 . . . A 26 ALA HB1 . 25397 1 268 . 1 1 26 26 ALA HB3 H 1 1.400 0.000 . 1 . . . A 26 ALA HB1 . 25397 1 269 . 1 1 26 26 ALA C C 13 180.912 0.000 . 1 . . . A 26 ALA C . 25397 1 270 . 1 1 26 26 ALA CA C 13 54.995 0.000 . 1 . . . A 26 ALA CA . 25397 1 271 . 1 1 26 26 ALA CB C 13 17.515 0.000 . 1 . . . A 26 ALA CB . 25397 1 272 . 1 1 26 26 ALA N N 15 123.286 0.000 . 1 . . . A 26 ALA N . 25397 1 273 . 1 1 27 27 SER H H 1 8.646 0.000 . 1 . . . A 27 SER H . 25397 1 274 . 1 1 27 27 SER HA H 1 4.223 0.000 . 1 . . . A 27 SER HA . 25397 1 275 . 1 1 27 27 SER HB2 H 1 4.104 0.000 . 2 . . . A 27 SER HB2 . 25397 1 276 . 1 1 27 27 SER HB3 H 1 4.104 0.000 . 2 . . . A 27 SER HB3 . 25397 1 277 . 1 1 27 27 SER C C 13 176.423 0.000 . 1 . . . A 27 SER C . 25397 1 278 . 1 1 27 27 SER CA C 13 62.126 0.000 . 1 . . . A 27 SER CA . 25397 1 279 . 1 1 27 27 SER CB C 13 63.001 0.000 . 1 . . . A 27 SER CB . 25397 1 280 . 1 1 27 27 SER N N 15 117.019 0.000 . 1 . . . A 27 SER N . 25397 1 281 . 1 1 28 28 ARG H H 1 8.064 0.000 . 1 . . . A 28 ARG H . 25397 1 282 . 1 1 28 28 ARG HA H 1 4.174 0.000 . 1 . . . A 28 ARG HA . 25397 1 283 . 1 1 28 28 ARG HB2 H 1 1.935 0.000 . 2 . . . A 28 ARG HB2 . 25397 1 284 . 1 1 28 28 ARG HB3 H 1 1.935 0.000 . 2 . . . A 28 ARG HB3 . 25397 1 285 . 1 1 28 28 ARG HG2 H 1 1.777 0.000 . 2 . . . A 28 ARG HG2 . 25397 1 286 . 1 1 28 28 ARG HG3 H 1 1.777 0.000 . 2 . . . A 28 ARG HG3 . 25397 1 287 . 1 1 28 28 ARG HD2 H 1 3.226 0.000 . 2 . . . A 28 ARG HD2 . 25397 1 288 . 1 1 28 28 ARG HD3 H 1 3.153 0.000 . 2 . . . A 28 ARG HD3 . 25397 1 289 . 1 1 28 28 ARG C C 13 177.864 0.000 . 1 . . . A 28 ARG C . 25397 1 290 . 1 1 28 28 ARG CA C 13 57.828 0.000 . 1 . . . A 28 ARG CA . 25397 1 291 . 1 1 28 28 ARG CB C 13 30.316 0.000 . 1 . . . A 28 ARG CB . 25397 1 292 . 1 1 28 28 ARG CG C 13 27.715 0.000 . 1 . . . A 28 ARG CG . 25397 1 293 . 1 1 28 28 ARG CD C 13 43.437 0.000 . 1 . . . A 28 ARG CD . 25397 1 294 . 1 1 28 28 ARG N N 15 118.976 0.000 . 1 . . . A 28 ARG N . 25397 1 295 . 1 1 29 29 SER H H 1 7.446 0.000 . 1 . . . A 29 SER H . 25397 1 296 . 1 1 29 29 SER HA H 1 4.173 0.000 . 1 . . . A 29 SER HA . 25397 1 297 . 1 1 29 29 SER HB2 H 1 4.050 0.000 . 2 . . . A 29 SER HB2 . 25397 1 298 . 1 1 29 29 SER HB3 H 1 4.050 0.000 . 2 . . . A 29 SER HB3 . 25397 1 299 . 1 1 29 29 SER HG H 1 5.645 0.000 . 1 . . . A 29 SER HG . 25397 1 300 . 1 1 29 29 SER C C 13 175.610 0.000 . 1 . . . A 29 SER C . 25397 1 301 . 1 1 29 29 SER CA C 13 60.980 0.000 . 1 . . . A 29 SER CA . 25397 1 302 . 1 1 29 29 SER CB C 13 64.190 0.000 . 1 . . . A 29 SER CB . 25397 1 303 . 1 1 29 29 SER N N 15 113.744 0.000 . 1 . . . A 29 SER N . 25397 1 304 . 1 1 30 30 GLY H H 1 7.421 0.000 . 1 . . . A 30 GLY H . 25397 1 305 . 1 1 30 30 GLY HA2 H 1 4.172 0.000 . 2 . . . A 30 GLY HA2 . 25397 1 306 . 1 1 30 30 GLY HA3 H 1 3.989 0.000 . 2 . . . A 30 GLY HA3 . 25397 1 307 . 1 1 30 30 GLY C C 13 174.830 0.000 . 1 . . . A 30 GLY C . 25397 1 308 . 1 1 30 30 GLY CA C 13 46.299 0.000 . 1 . . . A 30 GLY CA . 25397 1 309 . 1 1 30 30 GLY N N 15 109.951 0.000 . 1 . . . A 30 GLY N . 25397 1 310 . 1 1 31 31 VAL H H 1 7.874 0.000 . 1 . . . A 31 VAL H . 25397 1 311 . 1 1 31 31 VAL HA H 1 4.117 0.000 . 1 . . . A 31 VAL HA . 25397 1 312 . 1 1 31 31 VAL HB H 1 2.117 0.000 . 1 . . . A 31 VAL HB . 25397 1 313 . 1 1 31 31 VAL HG11 H 1 0.876 0.000 . 2 . . . A 31 VAL HG11 . 25397 1 314 . 1 1 31 31 VAL HG12 H 1 0.876 0.000 . 2 . . . A 31 VAL HG11 . 25397 1 315 . 1 1 31 31 VAL HG13 H 1 0.876 0.000 . 2 . . . A 31 VAL HG11 . 25397 1 316 . 1 1 31 31 VAL HG21 H 1 0.912 0.000 . 2 . . . A 31 VAL HG21 . 25397 1 317 . 1 1 31 31 VAL HG22 H 1 0.912 0.000 . 2 . . . A 31 VAL HG21 . 25397 1 318 . 1 1 31 31 VAL HG23 H 1 0.912 0.000 . 2 . . . A 31 VAL HG21 . 25397 1 319 . 1 1 31 31 VAL C C 13 175.718 0.000 . 1 . . . A 31 VAL C . 25397 1 320 . 1 1 31 31 VAL CA C 13 62.272 0.000 . 1 . . . A 31 VAL CA . 25397 1 321 . 1 1 31 31 VAL CB C 13 32.852 0.000 . 1 . . . A 31 VAL CB . 25397 1 322 . 1 1 31 31 VAL CG1 C 13 21.411 0.000 . 2 . . . A 31 VAL CG1 . 25397 1 323 . 1 1 31 31 VAL CG2 C 13 20.775 0.000 . 2 . . . A 31 VAL CG2 . 25397 1 324 . 1 1 31 31 VAL N N 15 116.043 0.000 . 1 . . . A 31 VAL N . 25397 1 325 . 1 1 32 32 LEU H H 1 8.046 0.000 . 1 . . . A 32 LEU H . 25397 1 326 . 1 1 32 32 LEU HA H 1 4.526 0.000 . 1 . . . A 32 LEU HA . 25397 1 327 . 1 1 32 32 LEU HB2 H 1 1.632 0.000 . 2 . . . A 32 LEU HB2 . 25397 1 328 . 1 1 32 32 LEU HB3 H 1 1.632 0.000 . 2 . . . A 32 LEU HB3 . 25397 1 329 . 1 1 32 32 LEU HG H 1 1.565 0.000 . 1 . . . A 32 LEU HG . 25397 1 330 . 1 1 32 32 LEU HD11 H 1 0.821 0.000 . 2 . . . A 32 LEU HD11 . 25397 1 331 . 1 1 32 32 LEU HD12 H 1 0.821 0.000 . 2 . . . A 32 LEU HD11 . 25397 1 332 . 1 1 32 32 LEU HD13 H 1 0.821 0.000 . 2 . . . A 32 LEU HD11 . 25397 1 333 . 1 1 32 32 LEU HD21 H 1 0.681 0.000 . 2 . . . A 32 LEU HD21 . 25397 1 334 . 1 1 32 32 LEU HD22 H 1 0.681 0.000 . 2 . . . A 32 LEU HD21 . 25397 1 335 . 1 1 32 32 LEU HD23 H 1 0.681 0.000 . 2 . . . A 32 LEU HD21 . 25397 1 336 . 1 1 32 32 LEU C C 13 177.827 0.000 . 1 . . . A 32 LEU C . 25397 1 337 . 1 1 32 32 LEU CA C 13 55.298 0.000 . 1 . . . A 32 LEU CA . 25397 1 338 . 1 1 32 32 LEU CB C 13 42.126 0.000 . 1 . . . A 32 LEU CB . 25397 1 339 . 1 1 32 32 LEU CG C 13 29.651 0.000 . 1 . . . A 32 LEU CG . 25397 1 340 . 1 1 32 32 LEU CD1 C 13 25.653 0.000 . 2 . . . A 32 LEU CD1 . 25397 1 341 . 1 1 32 32 LEU CD2 C 13 25.674 0.000 . 2 . . . A 32 LEU CD2 . 25397 1 342 . 1 1 32 32 LEU N N 15 121.031 0.000 . 1 . . . A 32 LEU N . 25397 1 343 . 1 1 33 33 THR H H 1 9.114 0.000 . 1 . . . A 33 THR H . 25397 1 344 . 1 1 33 33 THR HA H 1 4.317 0.000 . 1 . . . A 33 THR HA . 25397 1 345 . 1 1 33 33 THR HB H 1 4.807 0.000 . 1 . . . A 33 THR HB . 25397 1 346 . 1 1 33 33 THR HG21 H 1 1.379 0.000 . 1 . . . A 33 THR HG21 . 25397 1 347 . 1 1 33 33 THR HG22 H 1 1.379 0.000 . 1 . . . A 33 THR HG21 . 25397 1 348 . 1 1 33 33 THR HG23 H 1 1.379 0.000 . 1 . . . A 33 THR HG21 . 25397 1 349 . 1 1 33 33 THR C C 13 175.151 0.000 . 1 . . . A 33 THR C . 25397 1 350 . 1 1 33 33 THR CA C 13 60.785 0.000 . 1 . . . A 33 THR CA . 25397 1 351 . 1 1 33 33 THR CB C 13 71.141 0.000 . 1 . . . A 33 THR CB . 25397 1 352 . 1 1 33 33 THR CG2 C 13 21.757 0.000 . 1 . . . A 33 THR CG2 . 25397 1 353 . 1 1 33 33 THR N N 15 112.877 0.000 . 1 . . . A 33 THR N . 25397 1 354 . 1 1 34 34 ALA H H 1 8.913 0.000 . 1 . . . A 34 ALA H . 25397 1 355 . 1 1 34 34 ALA HA H 1 4.085 0.000 . 1 . . . A 34 ALA HA . 25397 1 356 . 1 1 34 34 ALA HB1 H 1 1.478 0.000 . 1 . . . A 34 ALA HB1 . 25397 1 357 . 1 1 34 34 ALA HB2 H 1 1.478 0.000 . 1 . . . A 34 ALA HB1 . 25397 1 358 . 1 1 34 34 ALA HB3 H 1 1.478 0.000 . 1 . . . A 34 ALA HB1 . 25397 1 359 . 1 1 34 34 ALA C C 13 180.344 0.000 . 1 . . . A 34 ALA C . 25397 1 360 . 1 1 34 34 ALA CA C 13 55.549 0.000 . 1 . . . A 34 ALA CA . 25397 1 361 . 1 1 34 34 ALA CB C 13 17.824 0.000 . 1 . . . A 34 ALA CB . 25397 1 362 . 1 1 34 34 ALA N N 15 123.270 0.000 . 1 . . . A 34 ALA N . 25397 1 363 . 1 1 35 35 ASP H H 1 8.196 0.000 . 1 . . . A 35 ASP H . 25397 1 364 . 1 1 35 35 ASP HA H 1 4.355 0.000 . 1 . . . A 35 ASP HA . 25397 1 365 . 1 1 35 35 ASP HB2 H 1 2.500 0.000 . 2 . . . A 35 ASP HB2 . 25397 1 366 . 1 1 35 35 ASP HB3 H 1 2.749 0.000 . 2 . . . A 35 ASP HB3 . 25397 1 367 . 1 1 35 35 ASP C C 13 178.293 0.000 . 1 . . . A 35 ASP C . 25397 1 368 . 1 1 35 35 ASP CA C 13 57.212 0.000 . 1 . . . A 35 ASP CA . 25397 1 369 . 1 1 35 35 ASP CB C 13 40.149 0.000 . 1 . . . A 35 ASP CB . 25397 1 370 . 1 1 35 35 ASP N N 15 116.774 0.000 . 1 . . . A 35 ASP N . 25397 1 371 . 1 1 36 36 GLN H H 1 7.717 0.000 . 1 . . . A 36 GLN H . 25397 1 372 . 1 1 36 36 GLN HA H 1 4.138 0.000 . 1 . . . A 36 GLN HA . 25397 1 373 . 1 1 36 36 GLN HB2 H 1 1.579 0.000 . 2 . . . A 36 GLN HB2 . 25397 1 374 . 1 1 36 36 GLN HB3 H 1 2.495 0.000 . 2 . . . A 36 GLN HB3 . 25397 1 375 . 1 1 36 36 GLN HG2 H 1 2.571 0.000 . 2 . . . A 36 GLN HG2 . 25397 1 376 . 1 1 36 36 GLN HG3 H 1 2.287 0.000 . 2 . . . A 36 GLN HG3 . 25397 1 377 . 1 1 36 36 GLN HE21 H 1 6.703 0.000 . 2 . . . A 36 GLN HE21 . 25397 1 378 . 1 1 36 36 GLN HE22 H 1 7.351 0.000 . 2 . . . A 36 GLN HE22 . 25397 1 379 . 1 1 36 36 GLN C C 13 179.250 0.000 . 1 . . . A 36 GLN C . 25397 1 380 . 1 1 36 36 GLN CA C 13 58.841 0.000 . 1 . . . A 36 GLN CA . 25397 1 381 . 1 1 36 36 GLN CB C 13 30.583 0.000 . 1 . . . A 36 GLN CB . 25397 1 382 . 1 1 36 36 GLN CG C 13 35.571 0.000 . 1 . . . A 36 GLN CG . 25397 1 383 . 1 1 36 36 GLN N N 15 118.724 0.000 . 1 . . . A 36 GLN N . 25397 1 384 . 1 1 36 36 GLN NE2 N 15 114.121 0.000 . 1 . . . A 36 GLN NE2 . 25397 1 385 . 1 1 37 37 MET H H 1 8.536 0.000 . 1 . . . A 37 MET H . 25397 1 386 . 1 1 37 37 MET HA H 1 4.154 0.000 . 1 . . . A 37 MET HA . 25397 1 387 . 1 1 37 37 MET HB2 H 1 2.030 0.000 . 2 . . . A 37 MET HB2 . 25397 1 388 . 1 1 37 37 MET HB3 H 1 2.301 0.000 . 2 . . . A 37 MET HB3 . 25397 1 389 . 1 1 37 37 MET HG2 H 1 2.339 0.000 . 2 . . . A 37 MET HG2 . 25397 1 390 . 1 1 37 37 MET HG3 H 1 2.772 0.000 . 2 . . . A 37 MET HG3 . 25397 1 391 . 1 1 37 37 MET HE1 H 1 2.080 0.000 . 1 . . . A 37 MET HE1 . 25397 1 392 . 1 1 37 37 MET HE2 H 1 2.080 0.000 . 1 . . . A 37 MET HE1 . 25397 1 393 . 1 1 37 37 MET HE3 H 1 2.080 0.000 . 1 . . . A 37 MET HE1 . 25397 1 394 . 1 1 37 37 MET C C 13 180.178 0.000 . 1 . . . A 37 MET C . 25397 1 395 . 1 1 37 37 MET CA C 13 57.540 0.000 . 1 . . . A 37 MET CA . 25397 1 396 . 1 1 37 37 MET CB C 13 30.727 0.000 . 1 . . . A 37 MET CB . 25397 1 397 . 1 1 37 37 MET CG C 13 30.996 0.000 . 1 . . . A 37 MET CG . 25397 1 398 . 1 1 37 37 MET CE C 13 15.413 0.000 . 1 . . . A 37 MET CE . 25397 1 399 . 1 1 37 37 MET N N 15 118.223 0.000 . 1 . . . A 37 MET N . 25397 1 400 . 1 1 38 38 ASP H H 1 8.110 0.000 . 1 . . . A 38 ASP H . 25397 1 401 . 1 1 38 38 ASP HA H 1 4.473 0.000 . 1 . . . A 38 ASP HA . 25397 1 402 . 1 1 38 38 ASP HB2 H 1 2.931 0.000 . 2 . . . A 38 ASP HB2 . 25397 1 403 . 1 1 38 38 ASP HB3 H 1 2.751 0.000 . 2 . . . A 38 ASP HB3 . 25397 1 404 . 1 1 38 38 ASP C C 13 179.544 0.000 . 1 . . . A 38 ASP C . 25397 1 405 . 1 1 38 38 ASP CA C 13 57.514 0.000 . 1 . . . A 38 ASP CA . 25397 1 406 . 1 1 38 38 ASP CB C 13 39.777 0.000 . 1 . . . A 38 ASP CB . 25397 1 407 . 1 1 38 38 ASP N N 15 123.761 0.000 . 1 . . . A 38 ASP N . 25397 1 408 . 1 1 39 39 ASP H H 1 8.188 0.000 . 1 . . . A 39 ASP H . 25397 1 409 . 1 1 39 39 ASP HA H 1 4.430 0.000 . 1 . . . A 39 ASP HA . 25397 1 410 . 1 1 39 39 ASP HB2 H 1 2.865 0.000 . 2 . . . A 39 ASP HB2 . 25397 1 411 . 1 1 39 39 ASP HB3 H 1 2.524 0.000 . 2 . . . A 39 ASP HB3 . 25397 1 412 . 1 1 39 39 ASP C C 13 179.806 0.000 . 1 . . . A 39 ASP C . 25397 1 413 . 1 1 39 39 ASP CA C 13 57.536 0.000 . 1 . . . A 39 ASP CA . 25397 1 414 . 1 1 39 39 ASP CB C 13 40.136 0.000 . 1 . . . A 39 ASP CB . 25397 1 415 . 1 1 39 39 ASP N N 15 122.682 0.000 . 1 . . . A 39 ASP N . 25397 1 416 . 1 1 40 40 MET H H 1 8.717 0.000 . 1 . . . A 40 MET H . 25397 1 417 . 1 1 40 40 MET HA H 1 4.308 0.000 . 1 . . . A 40 MET HA . 25397 1 418 . 1 1 40 40 MET HB2 H 1 1.957 0.000 . 2 . . . A 40 MET HB2 . 25397 1 419 . 1 1 40 40 MET HB3 H 1 2.507 0.000 . 2 . . . A 40 MET HB3 . 25397 1 420 . 1 1 40 40 MET HG2 H 1 2.489 0.000 . 2 . . . A 40 MET HG2 . 25397 1 421 . 1 1 40 40 MET HG3 H 1 2.789 0.000 . 2 . . . A 40 MET HG3 . 25397 1 422 . 1 1 40 40 MET HE1 H 1 1.782 0.000 . 1 . . . A 40 MET HE1 . 25397 1 423 . 1 1 40 40 MET HE2 H 1 1.782 0.000 . 1 . . . A 40 MET HE1 . 25397 1 424 . 1 1 40 40 MET HE3 H 1 1.782 0.000 . 1 . . . A 40 MET HE1 . 25397 1 425 . 1 1 40 40 MET C C 13 178.148 0.000 . 1 . . . A 40 MET C . 25397 1 426 . 1 1 40 40 MET CA C 13 57.279 0.000 . 1 . . . A 40 MET CA . 25397 1 427 . 1 1 40 40 MET CB C 13 31.276 0.000 . 1 . . . A 40 MET CB . 25397 1 428 . 1 1 40 40 MET CG C 13 33.814 0.000 . 1 . . . A 40 MET CG . 25397 1 429 . 1 1 40 40 MET CE C 13 16.860 0.000 . 1 . . . A 40 MET CE . 25397 1 430 . 1 1 40 40 MET N N 15 121.363 0.000 . 1 . . . A 40 MET N . 25397 1 431 . 1 1 41 41 GLY H H 1 8.042 0.000 . 1 . . . A 41 GLY H . 25397 1 432 . 1 1 41 41 GLY HA2 H 1 3.905 0.000 . 2 . . . A 41 GLY HA2 . 25397 1 433 . 1 1 41 41 GLY HA3 H 1 4.060 0.000 . 2 . . . A 41 GLY HA3 . 25397 1 434 . 1 1 41 41 GLY C C 13 176.547 0.000 . 1 . . . A 41 GLY C . 25397 1 435 . 1 1 41 41 GLY CA C 13 47.154 0.000 . 1 . . . A 41 GLY CA . 25397 1 436 . 1 1 41 41 GLY N N 15 106.940 0.000 . 1 . . . A 41 GLY N . 25397 1 437 . 1 1 42 42 MET H H 1 7.734 0.000 . 1 . . . A 42 MET H . 25397 1 438 . 1 1 42 42 MET HA H 1 4.333 0.000 . 1 . . . A 42 MET HA . 25397 1 439 . 1 1 42 42 MET HB2 H 1 2.232 0.000 . 2 . . . A 42 MET HB2 . 25397 1 440 . 1 1 42 42 MET HB3 H 1 2.123 0.000 . 2 . . . A 42 MET HB3 . 25397 1 441 . 1 1 42 42 MET HG2 H 1 2.640 0.000 . 2 . . . A 42 MET HG2 . 25397 1 442 . 1 1 42 42 MET HG3 H 1 2.734 0.000 . 2 . . . A 42 MET HG3 . 25397 1 443 . 1 1 42 42 MET HE1 H 1 2.117 0.000 . 1 . . . A 42 MET HE1 . 25397 1 444 . 1 1 42 42 MET HE2 H 1 2.117 0.000 . 1 . . . A 42 MET HE1 . 25397 1 445 . 1 1 42 42 MET HE3 H 1 2.117 0.000 . 1 . . . A 42 MET HE1 . 25397 1 446 . 1 1 42 42 MET C C 13 178.569 0.000 . 1 . . . A 42 MET C . 25397 1 447 . 1 1 42 42 MET CA C 13 58.186 0.000 . 1 . . . A 42 MET CA . 25397 1 448 . 1 1 42 42 MET CB C 13 32.269 0.000 . 1 . . . A 42 MET CB . 25397 1 449 . 1 1 42 42 MET CG C 13 32.283 0.000 . 1 . . . A 42 MET CG . 25397 1 450 . 1 1 42 42 MET CE C 13 17.190 0.000 . 1 . . . A 42 MET CE . 25397 1 451 . 1 1 42 42 MET N N 15 120.905 0.000 . 1 . . . A 42 MET N . 25397 1 452 . 1 1 43 43 MET H H 1 8.120 0.000 . 1 . . . A 43 MET H . 25397 1 453 . 1 1 43 43 MET HA H 1 4.280 0.000 . 1 . . . A 43 MET HA . 25397 1 454 . 1 1 43 43 MET HB2 H 1 2.081 0.000 . 2 . . . A 43 MET HB2 . 25397 1 455 . 1 1 43 43 MET HB3 H 1 2.628 0.000 . 2 . . . A 43 MET HB3 . 25397 1 456 . 1 1 43 43 MET HG2 H 1 2.606 0.000 . 2 . . . A 43 MET HG2 . 25397 1 457 . 1 1 43 43 MET HG3 H 1 2.496 0.000 . 2 . . . A 43 MET HG3 . 25397 1 458 . 1 1 43 43 MET HE1 H 1 2.022 0.000 . 1 . . . A 43 MET HE1 . 25397 1 459 . 1 1 43 43 MET HE2 H 1 2.022 0.000 . 1 . . . A 43 MET HE1 . 25397 1 460 . 1 1 43 43 MET HE3 H 1 2.022 0.000 . 1 . . . A 43 MET HE1 . 25397 1 461 . 1 1 43 43 MET C C 13 177.536 0.000 . 1 . . . A 43 MET C . 25397 1 462 . 1 1 43 43 MET CA C 13 58.437 0.000 . 1 . . . A 43 MET CA . 25397 1 463 . 1 1 43 43 MET CB C 13 28.717 0.000 . 1 . . . A 43 MET CB . 25397 1 464 . 1 1 43 43 MET CG C 13 31.929 0.000 . 1 . . . A 43 MET CG . 25397 1 465 . 1 1 43 43 MET CE C 13 16.513 0.000 . 1 . . . A 43 MET CE . 25397 1 466 . 1 1 43 43 MET N N 15 122.664 0.000 . 1 . . . A 43 MET N . 25397 1 467 . 1 1 44 44 ALA H H 1 8.014 0.000 . 1 . . . A 44 ALA H . 25397 1 468 . 1 1 44 44 ALA HA H 1 3.834 0.000 . 1 . . . A 44 ALA HA . 25397 1 469 . 1 1 44 44 ALA HB1 H 1 1.470 0.000 . 1 . . . A 44 ALA HB1 . 25397 1 470 . 1 1 44 44 ALA HB2 H 1 1.470 0.000 . 1 . . . A 44 ALA HB1 . 25397 1 471 . 1 1 44 44 ALA HB3 H 1 1.470 0.000 . 1 . . . A 44 ALA HB1 . 25397 1 472 . 1 1 44 44 ALA C C 13 179.108 0.000 . 1 . . . A 44 ALA C . 25397 1 473 . 1 1 44 44 ALA CA C 13 55.553 0.000 . 1 . . . A 44 ALA CA . 25397 1 474 . 1 1 44 44 ALA CB C 13 17.813 0.000 . 1 . . . A 44 ALA CB . 25397 1 475 . 1 1 44 44 ALA N N 15 122.058 0.000 . 1 . . . A 44 ALA N . 25397 1 476 . 1 1 45 45 ASP H H 1 7.701 0.000 . 1 . . . A 45 ASP H . 25397 1 477 . 1 1 45 45 ASP HA H 1 4.453 0.000 . 1 . . . A 45 ASP HA . 25397 1 478 . 1 1 45 45 ASP HB2 H 1 2.751 0.000 . 2 . . . A 45 ASP HB2 . 25397 1 479 . 1 1 45 45 ASP HB3 H 1 2.751 0.000 . 2 . . . A 45 ASP HB3 . 25397 1 480 . 1 1 45 45 ASP C C 13 179.078 0.000 . 1 . . . A 45 ASP C . 25397 1 481 . 1 1 45 45 ASP CA C 13 57.481 0.000 . 1 . . . A 45 ASP CA . 25397 1 482 . 1 1 45 45 ASP CB C 13 40.972 0.000 . 1 . . . A 45 ASP CB . 25397 1 483 . 1 1 45 45 ASP N N 15 117.159 0.000 . 1 . . . A 45 ASP N . 25397 1 484 . 1 1 46 46 SER H H 1 8.222 0.000 . 1 . . . A 46 SER H . 25397 1 485 . 1 1 46 46 SER HA H 1 4.231 0.000 . 1 . . . A 46 SER HA . 25397 1 486 . 1 1 46 46 SER HB2 H 1 3.980 0.000 . 2 . . . A 46 SER HB2 . 25397 1 487 . 1 1 46 46 SER HB3 H 1 4.229 0.000 . 2 . . . A 46 SER HB3 . 25397 1 488 . 1 1 46 46 SER C C 13 178.119 0.000 . 1 . . . A 46 SER C . 25397 1 489 . 1 1 46 46 SER CA C 13 60.800 0.000 . 1 . . . A 46 SER CA . 25397 1 490 . 1 1 46 46 SER CB C 13 62.759 0.000 . 1 . . . A 46 SER CB . 25397 1 491 . 1 1 46 46 SER N N 15 116.543 0.000 . 1 . . . A 46 SER N . 25397 1 492 . 1 1 47 47 VAL H H 1 8.958 0.000 . 1 . . . A 47 VAL H . 25397 1 493 . 1 1 47 47 VAL HA H 1 3.451 0.000 . 1 . . . A 47 VAL HA . 25397 1 494 . 1 1 47 47 VAL HB H 1 2.169 0.000 . 1 . . . A 47 VAL HB . 25397 1 495 . 1 1 47 47 VAL HG11 H 1 1.012 0.000 . 2 . . . A 47 VAL HG11 . 25397 1 496 . 1 1 47 47 VAL HG12 H 1 1.012 0.000 . 2 . . . A 47 VAL HG11 . 25397 1 497 . 1 1 47 47 VAL HG13 H 1 1.012 0.000 . 2 . . . A 47 VAL HG11 . 25397 1 498 . 1 1 47 47 VAL HG21 H 1 1.021 0.000 . 2 . . . A 47 VAL HG21 . 25397 1 499 . 1 1 47 47 VAL HG22 H 1 1.021 0.000 . 2 . . . A 47 VAL HG21 . 25397 1 500 . 1 1 47 47 VAL HG23 H 1 1.021 0.000 . 2 . . . A 47 VAL HG21 . 25397 1 501 . 1 1 47 47 VAL C C 13 177.915 0.000 . 1 . . . A 47 VAL C . 25397 1 502 . 1 1 47 47 VAL CA C 13 66.731 0.000 . 1 . . . A 47 VAL CA . 25397 1 503 . 1 1 47 47 VAL CB C 13 31.601 0.000 . 1 . . . A 47 VAL CB . 25397 1 504 . 1 1 47 47 VAL CG1 C 13 21.751 0.000 . 2 . . . A 47 VAL CG1 . 25397 1 505 . 1 1 47 47 VAL CG2 C 13 23.431 0.000 . 2 . . . A 47 VAL CG2 . 25397 1 506 . 1 1 47 47 VAL N N 15 122.328 0.000 . 1 . . . A 47 VAL N . 25397 1 507 . 1 1 48 48 ASN H H 1 8.635 0.000 . 1 . . . A 48 ASN H . 25397 1 508 . 1 1 48 48 ASN HA H 1 4.476 0.000 . 1 . . . A 48 ASN HA . 25397 1 509 . 1 1 48 48 ASN HB2 H 1 2.783 0.000 . 2 . . . A 48 ASN HB2 . 25397 1 510 . 1 1 48 48 ASN HB3 H 1 3.078 0.000 . 2 . . . A 48 ASN HB3 . 25397 1 511 . 1 1 48 48 ASN HD21 H 1 7.587 0.000 . 2 . . . A 48 ASN HD21 . 25397 1 512 . 1 1 48 48 ASN HD22 H 1 6.706 0.000 . 2 . . . A 48 ASN HD22 . 25397 1 513 . 1 1 48 48 ASN C C 13 178.329 0.000 . 1 . . . A 48 ASN C . 25397 1 514 . 1 1 48 48 ASN CA C 13 56.574 0.000 . 1 . . . A 48 ASN CA . 25397 1 515 . 1 1 48 48 ASN CB C 13 37.884 0.000 . 1 . . . A 48 ASN CB . 25397 1 516 . 1 1 48 48 ASN N N 15 118.431 0.000 . 1 . . . A 48 ASN N . 25397 1 517 . 1 1 48 48 ASN ND2 N 15 109.516 0.000 . 1 . . . A 48 ASN ND2 . 25397 1 518 . 1 1 49 49 SER H H 1 8.207 0.000 . 1 . . . A 49 SER H . 25397 1 519 . 1 1 49 49 SER HA H 1 4.212 0.000 . 1 . . . A 49 SER HA . 25397 1 520 . 1 1 49 49 SER HB2 H 1 4.003 0.000 . 2 . . . A 49 SER HB2 . 25397 1 521 . 1 1 49 49 SER HB3 H 1 4.049 0.000 . 2 . . . A 49 SER HB3 . 25397 1 522 . 1 1 49 49 SER C C 13 179.922 0.000 . 1 . . . A 49 SER C . 25397 1 523 . 1 1 49 49 SER CA C 13 61.611 0.000 . 1 . . . A 49 SER CA . 25397 1 524 . 1 1 49 49 SER CB C 13 62.741 0.000 . 1 . . . A 49 SER CB . 25397 1 525 . 1 1 49 49 SER N N 15 114.623 0.000 . 1 . . . A 49 SER N . 25397 1 526 . 1 1 50 50 GLN H H 1 8.155 0.000 . 1 . . . A 50 GLN H . 25397 1 527 . 1 1 50 50 GLN HA H 1 3.937 0.000 . 1 . . . A 50 GLN HA . 25397 1 528 . 1 1 50 50 GLN HB2 H 1 1.987 0.000 . 2 . . . A 50 GLN HB2 . 25397 1 529 . 1 1 50 50 GLN HB3 H 1 1.987 0.000 . 2 . . . A 50 GLN HB3 . 25397 1 530 . 1 1 50 50 GLN HG2 H 1 2.498 0.000 . 2 . . . A 50 GLN HG2 . 25397 1 531 . 1 1 50 50 GLN HG3 H 1 2.175 0.000 . 2 . . . A 50 GLN HG3 . 25397 1 532 . 1 1 50 50 GLN HE21 H 1 6.813 0.000 . 2 . . . A 50 GLN HE21 . 25397 1 533 . 1 1 50 50 GLN HE22 H 1 6.813 0.000 . 2 . . . A 50 GLN HE22 . 25397 1 534 . 1 1 50 50 GLN C C 13 177.860 0.000 . 1 . . . A 50 GLN C . 25397 1 535 . 1 1 50 50 GLN CA C 13 59.208 0.000 . 1 . . . A 50 GLN CA . 25397 1 536 . 1 1 50 50 GLN CB C 13 29.244 0.000 . 1 . . . A 50 GLN CB . 25397 1 537 . 1 1 50 50 GLN CG C 13 34.928 0.000 . 1 . . . A 50 GLN CG . 25397 1 538 . 1 1 50 50 GLN N N 15 121.014 0.000 . 1 . . . A 50 GLN N . 25397 1 539 . 1 1 50 50 GLN NE2 N 15 110.975 0.000 . 1 . . . A 50 GLN NE2 . 25397 1 540 . 1 1 51 51 MET H H 1 8.548 0.000 . 1 . . . A 51 MET H . 25397 1 541 . 1 1 51 51 MET HA H 1 4.185 0.000 . 1 . . . A 51 MET HA . 25397 1 542 . 1 1 51 51 MET HB2 H 1 2.294 0.000 . 2 . . . A 51 MET HB2 . 25397 1 543 . 1 1 51 51 MET HB3 H 1 2.294 0.000 . 2 . . . A 51 MET HB3 . 25397 1 544 . 1 1 51 51 MET HG2 H 1 2.857 0.000 . 2 . . . A 51 MET HG2 . 25397 1 545 . 1 1 51 51 MET HG3 H 1 2.743 0.000 . 2 . . . A 51 MET HG3 . 25397 1 546 . 1 1 51 51 MET HE1 H 1 2.264 0.000 . 1 . . . A 51 MET HE1 . 25397 1 547 . 1 1 51 51 MET HE2 H 1 2.264 0.000 . 1 . . . A 51 MET HE1 . 25397 1 548 . 1 1 51 51 MET HE3 H 1 2.264 0.000 . 1 . . . A 51 MET HE1 . 25397 1 549 . 1 1 51 51 MET C C 13 179.370 0.000 . 1 . . . A 51 MET C . 25397 1 550 . 1 1 51 51 MET CA C 13 58.493 0.000 . 1 . . . A 51 MET CA . 25397 1 551 . 1 1 51 51 MET CB C 13 31.569 0.000 . 1 . . . A 51 MET CB . 25397 1 552 . 1 1 51 51 MET CG C 13 31.926 0.000 . 1 . . . A 51 MET CG . 25397 1 553 . 1 1 51 51 MET CE C 13 17.483 0.000 . 1 . . . A 51 MET CE . 25397 1 554 . 1 1 51 51 MET N N 15 119.917 0.000 . 1 . . . A 51 MET N . 25397 1 555 . 1 1 52 52 GLN H H 1 7.987 0.000 . 1 . . . A 52 GLN H . 25397 1 556 . 1 1 52 52 GLN HA H 1 4.073 0.000 . 1 . . . A 52 GLN HA . 25397 1 557 . 1 1 52 52 GLN HB2 H 1 2.205 0.000 . 2 . . . A 52 GLN HB2 . 25397 1 558 . 1 1 52 52 GLN HB3 H 1 2.205 0.000 . 2 . . . A 52 GLN HB3 . 25397 1 559 . 1 1 52 52 GLN HG2 H 1 2.645 0.000 . 2 . . . A 52 GLN HG2 . 25397 1 560 . 1 1 52 52 GLN HG3 H 1 2.469 0.000 . 2 . . . A 52 GLN HG3 . 25397 1 561 . 1 1 52 52 GLN HE21 H 1 7.256 0.000 . 2 . . . A 52 GLN HE21 . 25397 1 562 . 1 1 52 52 GLN HE22 H 1 6.858 0.000 . 2 . . . A 52 GLN HE22 . 25397 1 563 . 1 1 52 52 GLN C C 13 177.892 0.000 . 1 . . . A 52 GLN C . 25397 1 564 . 1 1 52 52 GLN CA C 13 58.483 0.000 . 1 . . . A 52 GLN CA . 25397 1 565 . 1 1 52 52 GLN CB C 13 28.510 0.000 . 1 . . . A 52 GLN CB . 25397 1 566 . 1 1 52 52 GLN CG C 13 33.999 0.000 . 1 . . . A 52 GLN CG . 25397 1 567 . 1 1 52 52 GLN N N 15 119.061 0.000 . 1 . . . A 52 GLN N . 25397 1 568 . 1 1 52 52 GLN NE2 N 15 111.196 0.000 . 1 . . . A 52 GLN NE2 . 25397 1 569 . 1 1 53 53 LYS H H 1 7.523 0.000 . 1 . . . A 53 LYS H . 25397 1 570 . 1 1 53 53 LYS HA H 1 4.222 0.000 . 1 . . . A 53 LYS HA . 25397 1 571 . 1 1 53 53 LYS HB2 H 1 1.786 0.000 . 2 . . . A 53 LYS HB2 . 25397 1 572 . 1 1 53 53 LYS HB3 H 1 1.961 0.000 . 2 . . . A 53 LYS HB3 . 25397 1 573 . 1 1 53 53 LYS HG2 H 1 1.454 0.000 . 2 . . . A 53 LYS HG2 . 25397 1 574 . 1 1 53 53 LYS HG3 H 1 1.570 0.000 . 2 . . . A 53 LYS HG3 . 25397 1 575 . 1 1 53 53 LYS HD2 H 1 1.614 0.000 . 2 . . . A 53 LYS HD2 . 25397 1 576 . 1 1 53 53 LYS HD3 H 1 1.614 0.000 . 2 . . . A 53 LYS HD3 . 25397 1 577 . 1 1 53 53 LYS HE2 H 1 2.926 0.000 . 2 . . . A 53 LYS HE2 . 25397 1 578 . 1 1 53 53 LYS HE3 H 1 2.926 0.000 . 2 . . . A 53 LYS HE3 . 25397 1 579 . 1 1 53 53 LYS C C 13 177.406 0.000 . 1 . . . A 53 LYS C . 25397 1 580 . 1 1 53 53 LYS CA C 13 56.849 0.000 . 1 . . . A 53 LYS CA . 25397 1 581 . 1 1 53 53 LYS CB C 13 32.594 0.000 . 1 . . . A 53 LYS CB . 25397 1 582 . 1 1 53 53 LYS CG C 13 25.039 0.000 . 1 . . . A 53 LYS CG . 25397 1 583 . 1 1 53 53 LYS CD C 13 28.975 0.000 . 1 . . . A 53 LYS CD . 25397 1 584 . 1 1 53 53 LYS CE C 13 42.083 0.000 . 1 . . . A 53 LYS CE . 25397 1 585 . 1 1 53 53 LYS N N 15 117.129 0.000 . 1 . . . A 53 LYS N . 25397 1 586 . 1 1 54 54 MET H H 1 7.534 0.000 . 1 . . . A 54 MET H . 25397 1 587 . 1 1 54 54 MET HA H 1 4.102 0.000 . 1 . . . A 54 MET HA . 25397 1 588 . 1 1 54 54 MET HB2 H 1 2.006 0.000 . 2 . . . A 54 MET HB2 . 25397 1 589 . 1 1 54 54 MET HB3 H 1 2.292 0.000 . 2 . . . A 54 MET HB3 . 25397 1 590 . 1 1 54 54 MET HG2 H 1 2.510 0.000 . 2 . . . A 54 MET HG2 . 25397 1 591 . 1 1 54 54 MET HG3 H 1 2.752 0.000 . 2 . . . A 54 MET HG3 . 25397 1 592 . 1 1 54 54 MET HE1 H 1 1.933 0.000 . 1 . . . A 54 MET HE1 . 25397 1 593 . 1 1 54 54 MET HE2 H 1 1.933 0.000 . 1 . . . A 54 MET HE1 . 25397 1 594 . 1 1 54 54 MET HE3 H 1 1.933 0.000 . 1 . . . A 54 MET HE1 . 25397 1 595 . 1 1 54 54 MET C C 13 177.202 0.000 . 1 . . . A 54 MET C . 25397 1 596 . 1 1 54 54 MET CA C 13 58.186 0.000 . 1 . . . A 54 MET CA . 25397 1 597 . 1 1 54 54 MET CB C 13 33.845 0.000 . 1 . . . A 54 MET CB . 25397 1 598 . 1 1 54 54 MET CG C 13 31.967 0.000 . 1 . . . A 54 MET CG . 25397 1 599 . 1 1 54 54 MET CE C 13 17.162 0.000 . 1 . . . A 54 MET CE . 25397 1 600 . 1 1 54 54 MET N N 15 118.230 0.000 . 1 . . . A 54 MET N . 25397 1 601 . 1 1 55 55 GLY H H 1 7.765 0.000 . 1 . . . A 55 GLY H . 25397 1 602 . 1 1 55 55 GLY HA2 H 1 3.946 0.000 . 2 . . . A 55 GLY HA2 . 25397 1 603 . 1 1 55 55 GLY HA3 H 1 4.178 0.000 . 2 . . . A 55 GLY HA3 . 25397 1 604 . 1 1 55 55 GLY CA C 13 44.440 0.000 . 1 . . . A 55 GLY CA . 25397 1 605 . 1 1 55 55 GLY N N 15 105.881 0.000 . 1 . . . A 55 GLY N . 25397 1 606 . 1 1 56 56 PRO HA H 1 4.435 0.000 . 1 . . . A 56 PRO HA . 25397 1 607 . 1 1 56 56 PRO HB2 H 1 2.264 0.000 . 2 . . . A 56 PRO HB2 . 25397 1 608 . 1 1 56 56 PRO HB3 H 1 1.924 0.000 . 2 . . . A 56 PRO HB3 . 25397 1 609 . 1 1 56 56 PRO HG2 H 1 2.028 0.000 . 2 . . . A 56 PRO HG2 . 25397 1 610 . 1 1 56 56 PRO HG3 H 1 2.028 0.000 . 2 . . . A 56 PRO HG3 . 25397 1 611 . 1 1 56 56 PRO HD2 H 1 3.534 0.000 . 2 . . . A 56 PRO HD2 . 25397 1 612 . 1 1 56 56 PRO HD3 H 1 3.651 0.000 . 2 . . . A 56 PRO HD3 . 25397 1 613 . 1 1 56 56 PRO CA C 13 63.087 0.000 . 1 . . . A 56 PRO CA . 25397 1 614 . 1 1 56 56 PRO CB C 13 32.224 0.000 . 1 . . . A 56 PRO CB . 25397 1 615 . 1 1 56 56 PRO CG C 13 26.837 0.000 . 1 . . . A 56 PRO CG . 25397 1 616 . 1 1 56 56 PRO CD C 13 49.340 0.000 . 1 . . . A 56 PRO CD . 25397 1 617 . 1 1 57 57 ASN H H 1 8.943 0.000 . 1 . . . A 57 ASN H . 25397 1 618 . 1 1 57 57 ASN HA H 1 4.768 0.000 . 1 . . . A 57 ASN HA . 25397 1 619 . 1 1 57 57 ASN HB2 H 1 2.794 0.000 . 2 . . . A 57 ASN HB2 . 25397 1 620 . 1 1 57 57 ASN HB3 H 1 2.631 0.000 . 2 . . . A 57 ASN HB3 . 25397 1 621 . 1 1 57 57 ASN HD21 H 1 7.659 0.000 . 2 . . . A 57 ASN HD21 . 25397 1 622 . 1 1 57 57 ASN HD22 H 1 6.893 0.000 . 2 . . . A 57 ASN HD22 . 25397 1 623 . 1 1 57 57 ASN CA C 13 52.344 0.000 . 1 . . . A 57 ASN CA . 25397 1 624 . 1 1 57 57 ASN CB C 13 38.829 0.000 . 1 . . . A 57 ASN CB . 25397 1 625 . 1 1 57 57 ASN N N 15 117.016 0.000 . 1 . . . A 57 ASN N . 25397 1 626 . 1 1 57 57 ASN ND2 N 15 113.049 0.000 . 1 . . . A 57 ASN ND2 . 25397 1 627 . 1 1 58 58 PRO HB2 H 1 2.140 0.000 . 2 . . . A 58 PRO HB2 . 25397 1 628 . 1 1 58 58 PRO HB3 H 1 2.140 0.000 . 2 . . . A 58 PRO HB3 . 25397 1 629 . 1 1 58 58 PRO HG2 H 1 1.939 0.000 . 2 . . . A 58 PRO HG2 . 25397 1 630 . 1 1 58 58 PRO HG3 H 1 1.939 0.000 . 2 . . . A 58 PRO HG3 . 25397 1 631 . 1 1 58 58 PRO HD2 H 1 3.504 0.000 . 2 . . . A 58 PRO HD2 . 25397 1 632 . 1 1 58 58 PRO HD3 H 1 3.752 0.000 . 2 . . . A 58 PRO HD3 . 25397 1 633 . 1 1 58 58 PRO CB C 13 31.260 0.000 . 1 . . . A 58 PRO CB . 25397 1 634 . 1 1 58 58 PRO CG C 13 27.430 0.000 . 1 . . . A 58 PRO CG . 25397 1 635 . 1 1 58 58 PRO CD C 13 49.985 0.000 . 1 . . . A 58 PRO CD . 25397 1 636 . 1 1 59 59 PRO HA H 1 4.590 0.000 . 1 . . . A 59 PRO HA . 25397 1 637 . 1 1 59 59 PRO HB2 H 1 1.783 0.000 . 2 . . . A 59 PRO HB2 . 25397 1 638 . 1 1 59 59 PRO HB3 H 1 2.464 0.000 . 2 . . . A 59 PRO HB3 . 25397 1 639 . 1 1 59 59 PRO HG2 H 1 2.147 0.000 . 2 . . . A 59 PRO HG2 . 25397 1 640 . 1 1 59 59 PRO HG3 H 1 1.683 0.000 . 2 . . . A 59 PRO HG3 . 25397 1 641 . 1 1 59 59 PRO HD2 H 1 3.910 0.000 . 2 . . . A 59 PRO HD2 . 25397 1 642 . 1 1 59 59 PRO HD3 H 1 3.388 0.000 . 2 . . . A 59 PRO HD3 . 25397 1 643 . 1 1 59 59 PRO CA C 13 61.784 0.000 . 1 . . . A 59 PRO CA . 25397 1 644 . 1 1 59 59 PRO CB C 13 32.558 0.000 . 1 . . . A 59 PRO CB . 25397 1 645 . 1 1 59 59 PRO CG C 13 27.662 0.000 . 1 . . . A 59 PRO CG . 25397 1 646 . 1 1 59 59 PRO CD C 13 50.300 0.000 . 1 . . . A 59 PRO CD . 25397 1 647 . 1 1 61 61 HIS HA H 1 4.328 0.000 . 1 . . . A 61 HIS HA . 25397 1 648 . 1 1 61 61 HIS HB2 H 1 3.112 0.000 . 2 . . . A 61 HIS HB2 . 25397 1 649 . 1 1 61 61 HIS HB3 H 1 3.240 0.000 . 2 . . . A 61 HIS HB3 . 25397 1 650 . 1 1 61 61 HIS HD2 H 1 7.081 0.000 . 1 . . . A 61 HIS HD2 . 25397 1 651 . 1 1 61 61 HIS HE1 H 1 7.974 0.000 . 1 . . . A 61 HIS HE1 . 25397 1 652 . 1 1 61 61 HIS CA C 13 59.179 0.000 . 1 . . . A 61 HIS CA . 25397 1 653 . 1 1 61 61 HIS CB C 13 28.989 0.000 . 1 . . . A 61 HIS CB . 25397 1 654 . 1 1 61 61 HIS CD2 C 13 119.250 0.000 . 1 . . . A 61 HIS CD2 . 25397 1 655 . 1 1 61 61 HIS CE1 C 13 138.104 0.000 . 1 . . . A 61 HIS CE1 . 25397 1 656 . 1 1 62 62 ARG H H 1 6.829 0.000 . 1 . . . A 62 ARG H . 25397 1 657 . 1 1 62 62 ARG HA H 1 4.071 0.000 . 1 . . . A 62 ARG HA . 25397 1 658 . 1 1 62 62 ARG HB2 H 1 1.788 0.000 . 2 . . . A 62 ARG HB2 . 25397 1 659 . 1 1 62 62 ARG HB3 H 1 1.684 0.000 . 2 . . . A 62 ARG HB3 . 25397 1 660 . 1 1 62 62 ARG HG2 H 1 1.530 0.000 . 2 . . . A 62 ARG HG2 . 25397 1 661 . 1 1 62 62 ARG HG3 H 1 1.397 0.000 . 2 . . . A 62 ARG HG3 . 25397 1 662 . 1 1 62 62 ARG HD2 H 1 3.122 0.000 . 2 . . . A 62 ARG HD2 . 25397 1 663 . 1 1 62 62 ARG HD3 H 1 3.205 0.000 . 2 . . . A 62 ARG HD3 . 25397 1 664 . 1 1 62 62 ARG C C 13 178.308 0.000 . 1 . . . A 62 ARG C . 25397 1 665 . 1 1 62 62 ARG CA C 13 57.217 0.000 . 1 . . . A 62 ARG CA . 25397 1 666 . 1 1 62 62 ARG CB C 13 29.637 0.000 . 1 . . . A 62 ARG CB . 25397 1 667 . 1 1 62 62 ARG CG C 13 26.731 0.000 . 1 . . . A 62 ARG CG . 25397 1 668 . 1 1 62 62 ARG CD C 13 42.449 0.000 . 1 . . . A 62 ARG CD . 25397 1 669 . 1 1 62 62 ARG N N 15 119.417 0.000 . 1 . . . A 62 ARG N . 25397 1 670 . 1 1 63 63 LEU H H 1 7.360 0.000 . 1 . . . A 63 LEU H . 25397 1 671 . 1 1 63 63 LEU HA H 1 3.889 0.000 . 1 . . . A 63 LEU HA . 25397 1 672 . 1 1 63 63 LEU HB2 H 1 2.030 0.000 . 2 . . . A 63 LEU HB2 . 25397 1 673 . 1 1 63 63 LEU HB3 H 1 1.591 0.000 . 2 . . . A 63 LEU HB3 . 25397 1 674 . 1 1 63 63 LEU HG H 1 1.564 0.000 . 1 . . . A 63 LEU HG . 25397 1 675 . 1 1 63 63 LEU HD11 H 1 0.849 0.000 . 2 . . . A 63 LEU HD11 . 25397 1 676 . 1 1 63 63 LEU HD12 H 1 0.849 0.000 . 2 . . . A 63 LEU HD11 . 25397 1 677 . 1 1 63 63 LEU HD13 H 1 0.849 0.000 . 2 . . . A 63 LEU HD11 . 25397 1 678 . 1 1 63 63 LEU HD21 H 1 0.903 0.000 . 2 . . . A 63 LEU HD21 . 25397 1 679 . 1 1 63 63 LEU HD22 H 1 0.903 0.000 . 2 . . . A 63 LEU HD21 . 25397 1 680 . 1 1 63 63 LEU HD23 H 1 0.903 0.000 . 2 . . . A 63 LEU HD21 . 25397 1 681 . 1 1 63 63 LEU C C 13 178.973 0.000 . 1 . . . A 63 LEU C . 25397 1 682 . 1 1 63 63 LEU CA C 13 57.859 0.000 . 1 . . . A 63 LEU CA . 25397 1 683 . 1 1 63 63 LEU CB C 13 41.372 0.000 . 1 . . . A 63 LEU CB . 25397 1 684 . 1 1 63 63 LEU CG C 13 26.733 0.000 . 1 . . . A 63 LEU CG . 25397 1 685 . 1 1 63 63 LEU CD1 C 13 24.053 0.000 . 2 . . . A 63 LEU CD1 . 25397 1 686 . 1 1 63 63 LEU CD2 C 13 25.731 0.000 . 2 . . . A 63 LEU CD2 . 25397 1 687 . 1 1 63 63 LEU N N 15 120.166 0.000 . 1 . . . A 63 LEU N . 25397 1 688 . 1 1 64 64 ARG H H 1 8.109 0.000 . 1 . . . A 64 ARG H . 25397 1 689 . 1 1 64 64 ARG HA H 1 4.024 0.000 . 1 . . . A 64 ARG HA . 25397 1 690 . 1 1 64 64 ARG HB2 H 1 1.917 0.000 . 2 . . . A 64 ARG HB2 . 25397 1 691 . 1 1 64 64 ARG HB3 H 1 1.842 0.000 . 2 . . . A 64 ARG HB3 . 25397 1 692 . 1 1 64 64 ARG HG2 H 1 1.693 0.000 . 2 . . . A 64 ARG HG2 . 25397 1 693 . 1 1 64 64 ARG HG3 H 1 1.778 0.000 . 2 . . . A 64 ARG HG3 . 25397 1 694 . 1 1 64 64 ARG HD2 H 1 3.220 0.000 . 2 . . . A 64 ARG HD2 . 25397 1 695 . 1 1 64 64 ARG HD3 H 1 3.220 0.000 . 2 . . . A 64 ARG HD3 . 25397 1 696 . 1 1 64 64 ARG C C 13 179.040 0.000 . 1 . . . A 64 ARG C . 25397 1 697 . 1 1 64 64 ARG CA C 13 58.952 0.000 . 1 . . . A 64 ARG CA . 25397 1 698 . 1 1 64 64 ARG CB C 13 29.624 0.000 . 1 . . . A 64 ARG CB . 25397 1 699 . 1 1 64 64 ARG CG C 13 27.378 0.000 . 1 . . . A 64 ARG CG . 25397 1 700 . 1 1 64 64 ARG CD C 13 43.053 0.000 . 1 . . . A 64 ARG CD . 25397 1 701 . 1 1 64 64 ARG N N 15 118.557 0.000 . 1 . . . A 64 ARG N . 25397 1 702 . 1 1 65 65 ALA H H 1 7.677 0.000 . 1 . . . A 65 ALA H . 25397 1 703 . 1 1 65 65 ALA HA H 1 4.116 0.000 . 1 . . . A 65 ALA HA . 25397 1 704 . 1 1 65 65 ALA HB1 H 1 1.413 0.000 . 1 . . . A 65 ALA HB1 . 25397 1 705 . 1 1 65 65 ALA HB2 H 1 1.413 0.000 . 1 . . . A 65 ALA HB1 . 25397 1 706 . 1 1 65 65 ALA HB3 H 1 1.413 0.000 . 1 . . . A 65 ALA HB1 . 25397 1 707 . 1 1 65 65 ALA C C 13 179.806 0.000 . 1 . . . A 65 ALA C . 25397 1 708 . 1 1 65 65 ALA CA C 13 54.559 0.000 . 1 . . . A 65 ALA CA . 25397 1 709 . 1 1 65 65 ALA CB C 13 17.865 0.000 . 1 . . . A 65 ALA CB . 25397 1 710 . 1 1 65 65 ALA N N 15 120.858 0.000 . 1 . . . A 65 ALA N . 25397 1 711 . 1 1 66 66 MET H H 1 7.484 0.000 . 1 . . . A 66 MET H . 25397 1 712 . 1 1 66 66 MET HA H 1 4.100 0.000 . 1 . . . A 66 MET HA . 25397 1 713 . 1 1 66 66 MET HB2 H 1 1.389 0.000 . 2 . . . A 66 MET HB2 . 25397 1 714 . 1 1 66 66 MET HB3 H 1 1.821 0.000 . 2 . . . A 66 MET HB3 . 25397 1 715 . 1 1 66 66 MET HG2 H 1 1.459 0.000 . 2 . . . A 66 MET HG2 . 25397 1 716 . 1 1 66 66 MET HG3 H 1 0.954 0.000 . 2 . . . A 66 MET HG3 . 25397 1 717 . 1 1 66 66 MET HE1 H 1 1.468 0.000 . 1 . . . A 66 MET HE1 . 25397 1 718 . 1 1 66 66 MET HE2 H 1 1.468 0.000 . 1 . . . A 66 MET HE1 . 25397 1 719 . 1 1 66 66 MET HE3 H 1 1.468 0.000 . 1 . . . A 66 MET HE1 . 25397 1 720 . 1 1 66 66 MET C C 13 177.740 0.000 . 1 . . . A 66 MET C . 25397 1 721 . 1 1 66 66 MET CA C 13 56.234 0.000 . 1 . . . A 66 MET CA . 25397 1 722 . 1 1 66 66 MET CB C 13 31.594 0.000 . 1 . . . A 66 MET CB . 25397 1 723 . 1 1 66 66 MET CG C 13 30.048 0.000 . 1 . . . A 66 MET CG . 25397 1 724 . 1 1 66 66 MET CE C 13 17.219 0.000 . 1 . . . A 66 MET CE . 25397 1 725 . 1 1 66 66 MET N N 15 118.854 0.000 . 1 . . . A 66 MET N . 25397 1 726 . 1 1 67 67 ASN H H 1 7.705 0.000 . 1 . . . A 67 ASN H . 25397 1 727 . 1 1 67 67 ASN HA H 1 4.357 0.000 . 1 . . . A 67 ASN HA . 25397 1 728 . 1 1 67 67 ASN HB2 H 1 3.240 0.000 . 2 . . . A 67 ASN HB2 . 25397 1 729 . 1 1 67 67 ASN HB3 H 1 2.717 0.000 . 2 . . . A 67 ASN HB3 . 25397 1 730 . 1 1 67 67 ASN HD21 H 1 8.023 0.000 . 2 . . . A 67 ASN HD21 . 25397 1 731 . 1 1 67 67 ASN HD22 H 1 6.812 0.000 . 2 . . . A 67 ASN HD22 . 25397 1 732 . 1 1 67 67 ASN C C 13 177.401 0.000 . 1 . . . A 67 ASN C . 25397 1 733 . 1 1 67 67 ASN CA C 13 56.830 0.000 . 1 . . . A 67 ASN CA . 25397 1 734 . 1 1 67 67 ASN CB C 13 37.506 0.000 . 1 . . . A 67 ASN CB . 25397 1 735 . 1 1 67 67 ASN N N 15 118.716 0.000 . 1 . . . A 67 ASN N . 25397 1 736 . 1 1 67 67 ASN ND2 N 15 109.346 0.000 . 1 . . . A 67 ASN ND2 . 25397 1 737 . 1 1 68 68 THR H H 1 7.822 0.000 . 1 . . . A 68 THR H . 25397 1 738 . 1 1 68 68 THR HA H 1 3.804 0.000 . 1 . . . A 68 THR HA . 25397 1 739 . 1 1 68 68 THR HB H 1 4.137 0.000 . 1 . . . A 68 THR HB . 25397 1 740 . 1 1 68 68 THR HG21 H 1 1.196 0.000 . 1 . . . A 68 THR HG21 . 25397 1 741 . 1 1 68 68 THR HG22 H 1 1.196 0.000 . 1 . . . A 68 THR HG21 . 25397 1 742 . 1 1 68 68 THR HG23 H 1 1.196 0.000 . 1 . . . A 68 THR HG21 . 25397 1 743 . 1 1 68 68 THR C C 13 175.383 0.000 . 1 . . . A 68 THR C . 25397 1 744 . 1 1 68 68 THR CA C 13 66.082 0.000 . 1 . . . A 68 THR CA . 25397 1 745 . 1 1 68 68 THR CB C 13 67.802 0.000 . 1 . . . A 68 THR CB . 25397 1 746 . 1 1 68 68 THR CG2 C 13 22.374 0.000 . 1 . . . A 68 THR CG2 . 25397 1 747 . 1 1 68 68 THR N N 15 114.098 0.000 . 1 . . . A 68 THR N . 25397 1 748 . 1 1 69 69 ALA H H 1 8.216 0.000 . 1 . . . A 69 ALA H . 25397 1 749 . 1 1 69 69 ALA HA H 1 4.041 0.000 . 1 . . . A 69 ALA HA . 25397 1 750 . 1 1 69 69 ALA HB1 H 1 1.406 0.000 . 1 . . . A 69 ALA HB1 . 25397 1 751 . 1 1 69 69 ALA HB2 H 1 1.406 0.000 . 1 . . . A 69 ALA HB1 . 25397 1 752 . 1 1 69 69 ALA HB3 H 1 1.406 0.000 . 1 . . . A 69 ALA HB1 . 25397 1 753 . 1 1 69 69 ALA C C 13 180.257 0.000 . 1 . . . A 69 ALA C . 25397 1 754 . 1 1 69 69 ALA CA C 13 55.240 0.000 . 1 . . . A 69 ALA CA . 25397 1 755 . 1 1 69 69 ALA CB C 13 17.827 0.000 . 1 . . . A 69 ALA CB . 25397 1 756 . 1 1 69 69 ALA N N 15 124.664 0.000 . 1 . . . A 69 ALA N . 25397 1 757 . 1 1 70 70 MET H H 1 8.136 0.000 . 1 . . . A 70 MET H . 25397 1 758 . 1 1 70 70 MET HA H 1 3.918 0.000 . 1 . . . A 70 MET HA . 25397 1 759 . 1 1 70 70 MET HB2 H 1 2.252 0.000 . 2 . . . A 70 MET HB2 . 25397 1 760 . 1 1 70 70 MET HB3 H 1 2.132 0.000 . 2 . . . A 70 MET HB3 . 25397 1 761 . 1 1 70 70 MET HG2 H 1 2.445 0.000 . 2 . . . A 70 MET HG2 . 25397 1 762 . 1 1 70 70 MET HG3 H 1 2.623 0.000 . 2 . . . A 70 MET HG3 . 25397 1 763 . 1 1 70 70 MET HE1 H 1 2.089 0.000 . 1 . . . A 70 MET HE1 . 25397 1 764 . 1 1 70 70 MET HE2 H 1 2.089 0.000 . 1 . . . A 70 MET HE1 . 25397 1 765 . 1 1 70 70 MET HE3 H 1 2.089 0.000 . 1 . . . A 70 MET HE1 . 25397 1 766 . 1 1 70 70 MET C C 13 177.609 0.000 . 1 . . . A 70 MET C . 25397 1 767 . 1 1 70 70 MET CA C 13 59.333 0.000 . 1 . . . A 70 MET CA . 25397 1 768 . 1 1 70 70 MET CB C 13 32.014 0.000 . 1 . . . A 70 MET CB . 25397 1 769 . 1 1 70 70 MET CG C 13 33.225 0.000 . 1 . . . A 70 MET CG . 25397 1 770 . 1 1 70 70 MET CE C 13 18.779 0.000 . 1 . . . A 70 MET CE . 25397 1 771 . 1 1 70 70 MET N N 15 116.287 0.000 . 1 . . . A 70 MET N . 25397 1 772 . 1 1 71 71 ALA H H 1 8.249 0.000 . 1 . . . A 71 ALA H . 25397 1 773 . 1 1 71 71 ALA HA H 1 3.755 0.000 . 1 . . . A 71 ALA HA . 25397 1 774 . 1 1 71 71 ALA HB1 H 1 1.501 0.000 . 1 . . . A 71 ALA HB1 . 25397 1 775 . 1 1 71 71 ALA HB2 H 1 1.501 0.000 . 1 . . . A 71 ALA HB1 . 25397 1 776 . 1 1 71 71 ALA HB3 H 1 1.501 0.000 . 1 . . . A 71 ALA HB1 . 25397 1 777 . 1 1 71 71 ALA C C 13 178.948 0.000 . 1 . . . A 71 ALA C . 25397 1 778 . 1 1 71 71 ALA CA C 13 54.923 0.000 . 1 . . . A 71 ALA CA . 25397 1 779 . 1 1 71 71 ALA CB C 13 19.789 0.000 . 1 . . . A 71 ALA CB . 25397 1 780 . 1 1 71 71 ALA N N 15 119.650 0.000 . 1 . . . A 71 ALA N . 25397 1 781 . 1 1 72 72 ALA H H 1 8.686 0.000 . 1 . . . A 72 ALA H . 25397 1 782 . 1 1 72 72 ALA HA H 1 3.945 0.000 . 1 . . . A 72 ALA HA . 25397 1 783 . 1 1 72 72 ALA HB1 H 1 1.457 0.000 . 1 . . . A 72 ALA HB1 . 25397 1 784 . 1 1 72 72 ALA HB2 H 1 1.457 0.000 . 1 . . . A 72 ALA HB1 . 25397 1 785 . 1 1 72 72 ALA HB3 H 1 1.457 0.000 . 1 . . . A 72 ALA HB1 . 25397 1 786 . 1 1 72 72 ALA C C 13 180.200 0.000 . 1 . . . A 72 ALA C . 25397 1 787 . 1 1 72 72 ALA CA C 13 55.205 0.000 . 1 . . . A 72 ALA CA . 25397 1 788 . 1 1 72 72 ALA CB C 13 17.840 0.000 . 1 . . . A 72 ALA CB . 25397 1 789 . 1 1 72 72 ALA N N 15 118.992 0.000 . 1 . . . A 72 ALA N . 25397 1 790 . 1 1 73 73 GLU H H 1 7.782 0.000 . 1 . . . A 73 GLU H . 25397 1 791 . 1 1 73 73 GLU HA H 1 4.087 0.000 . 1 . . . A 73 GLU HA . 25397 1 792 . 1 1 73 73 GLU HB2 H 1 2.108 0.000 . 2 . . . A 73 GLU HB2 . 25397 1 793 . 1 1 73 73 GLU HB3 H 1 2.066 0.000 . 2 . . . A 73 GLU HB3 . 25397 1 794 . 1 1 73 73 GLU HG2 H 1 2.435 0.000 . 2 . . . A 73 GLU HG2 . 25397 1 795 . 1 1 73 73 GLU HG3 H 1 2.273 0.000 . 2 . . . A 73 GLU HG3 . 25397 1 796 . 1 1 73 73 GLU C C 13 179.952 0.000 . 1 . . . A 73 GLU C . 25397 1 797 . 1 1 73 73 GLU CA C 13 59.498 0.000 . 1 . . . A 73 GLU CA . 25397 1 798 . 1 1 73 73 GLU CB C 13 29.468 0.000 . 1 . . . A 73 GLU CB . 25397 1 799 . 1 1 73 73 GLU CG C 13 36.044 0.000 . 1 . . . A 73 GLU CG . 25397 1 800 . 1 1 73 73 GLU N N 15 117.354 0.000 . 1 . . . A 73 GLU N . 25397 1 801 . 1 1 74 74 VAL H H 1 8.379 0.000 . 1 . . . A 74 VAL H . 25397 1 802 . 1 1 74 74 VAL HA H 1 3.542 0.000 . 1 . . . A 74 VAL HA . 25397 1 803 . 1 1 74 74 VAL HB H 1 2.129 0.000 . 1 . . . A 74 VAL HB . 25397 1 804 . 1 1 74 74 VAL HG11 H 1 1.038 0.000 . 2 . . . A 74 VAL HG11 . 25397 1 805 . 1 1 74 74 VAL HG12 H 1 1.038 0.000 . 2 . . . A 74 VAL HG11 . 25397 1 806 . 1 1 74 74 VAL HG13 H 1 1.038 0.000 . 2 . . . A 74 VAL HG11 . 25397 1 807 . 1 1 74 74 VAL HG21 H 1 0.846 0.000 . 2 . . . A 74 VAL HG21 . 25397 1 808 . 1 1 74 74 VAL HG22 H 1 0.846 0.000 . 2 . . . A 74 VAL HG21 . 25397 1 809 . 1 1 74 74 VAL HG23 H 1 0.846 0.000 . 2 . . . A 74 VAL HG21 . 25397 1 810 . 1 1 74 74 VAL C C 13 178.133 0.000 . 1 . . . A 74 VAL C . 25397 1 811 . 1 1 74 74 VAL CA C 13 66.652 0.000 . 1 . . . A 74 VAL CA . 25397 1 812 . 1 1 74 74 VAL CB C 13 31.251 0.000 . 1 . . . A 74 VAL CB . 25397 1 813 . 1 1 74 74 VAL CG1 C 13 23.736 0.000 . 2 . . . A 74 VAL CG1 . 25397 1 814 . 1 1 74 74 VAL CG2 C 13 23.085 0.000 . 2 . . . A 74 VAL CG2 . 25397 1 815 . 1 1 74 74 VAL N N 15 119.323 0.000 . 1 . . . A 74 VAL N . 25397 1 816 . 1 1 75 75 ALA H H 1 9.092 0.000 . 1 . . . A 75 ALA H . 25397 1 817 . 1 1 75 75 ALA HA H 1 3.860 0.000 . 1 . . . A 75 ALA HA . 25397 1 818 . 1 1 75 75 ALA HB1 H 1 1.533 0.000 . 1 . . . A 75 ALA HB1 . 25397 1 819 . 1 1 75 75 ALA HB2 H 1 1.533 0.000 . 1 . . . A 75 ALA HB1 . 25397 1 820 . 1 1 75 75 ALA HB3 H 1 1.533 0.000 . 1 . . . A 75 ALA HB1 . 25397 1 821 . 1 1 75 75 ALA C C 13 178.788 0.000 . 1 . . . A 75 ALA C . 25397 1 822 . 1 1 75 75 ALA CA C 13 55.265 0.000 . 1 . . . A 75 ALA CA . 25397 1 823 . 1 1 75 75 ALA CB C 13 19.780 0.000 . 1 . . . A 75 ALA CB . 25397 1 824 . 1 1 75 75 ALA N N 15 122.115 0.000 . 1 . . . A 75 ALA N . 25397 1 825 . 1 1 76 76 GLU H H 1 7.555 0.000 . 1 . . . A 76 GLU H . 25397 1 826 . 1 1 76 76 GLU HA H 1 4.006 0.000 . 1 . . . A 76 GLU HA . 25397 1 827 . 1 1 76 76 GLU HB2 H 1 2.101 0.000 . 2 . . . A 76 GLU HB2 . 25397 1 828 . 1 1 76 76 GLU HB3 H 1 2.101 0.000 . 2 . . . A 76 GLU HB3 . 25397 1 829 . 1 1 76 76 GLU HG2 H 1 2.384 0.000 . 2 . . . A 76 GLU HG2 . 25397 1 830 . 1 1 76 76 GLU HG3 H 1 2.384 0.000 . 2 . . . A 76 GLU HG3 . 25397 1 831 . 1 1 76 76 GLU C C 13 178.889 0.000 . 1 . . . A 76 GLU C . 25397 1 832 . 1 1 76 76 GLU CA C 13 58.870 0.000 . 1 . . . A 76 GLU CA . 25397 1 833 . 1 1 76 76 GLU CB C 13 29.017 0.000 . 1 . . . A 76 GLU CB . 25397 1 834 . 1 1 76 76 GLU CG C 13 35.514 0.000 . 1 . . . A 76 GLU CG . 25397 1 835 . 1 1 76 76 GLU N N 15 116.179 0.000 . 1 . . . A 76 GLU N . 25397 1 836 . 1 1 77 77 VAL H H 1 7.283 0.000 . 1 . . . A 77 VAL H . 25397 1 837 . 1 1 77 77 VAL HA H 1 3.921 0.000 . 1 . . . A 77 VAL HA . 25397 1 838 . 1 1 77 77 VAL HB H 1 2.393 0.000 . 1 . . . A 77 VAL HB . 25397 1 839 . 1 1 77 77 VAL HG11 H 1 0.875 0.000 . 2 . . . A 77 VAL HG11 . 25397 1 840 . 1 1 77 77 VAL HG12 H 1 0.875 0.000 . 2 . . . A 77 VAL HG11 . 25397 1 841 . 1 1 77 77 VAL HG13 H 1 0.875 0.000 . 2 . . . A 77 VAL HG11 . 25397 1 842 . 1 1 77 77 VAL HG21 H 1 1.048 0.000 . 2 . . . A 77 VAL HG21 . 25397 1 843 . 1 1 77 77 VAL HG22 H 1 1.048 0.000 . 2 . . . A 77 VAL HG21 . 25397 1 844 . 1 1 77 77 VAL HG23 H 1 1.048 0.000 . 2 . . . A 77 VAL HG21 . 25397 1 845 . 1 1 77 77 VAL C C 13 179.428 0.000 . 1 . . . A 77 VAL C . 25397 1 846 . 1 1 77 77 VAL CA C 13 65.730 0.000 . 1 . . . A 77 VAL CA . 25397 1 847 . 1 1 77 77 VAL CB C 13 31.609 0.000 . 1 . . . A 77 VAL CB . 25397 1 848 . 1 1 77 77 VAL CG1 C 13 21.150 0.000 . 2 . . . A 77 VAL CG1 . 25397 1 849 . 1 1 77 77 VAL CG2 C 13 21.758 0.000 . 2 . . . A 77 VAL CG2 . 25397 1 850 . 1 1 77 77 VAL N N 15 118.320 0.000 . 1 . . . A 77 VAL N . 25397 1 851 . 1 1 78 78 VAL H H 1 8.049 0.000 . 1 . . . A 78 VAL H . 25397 1 852 . 1 1 78 78 VAL HA H 1 3.229 0.000 . 1 . . . A 78 VAL HA . 25397 1 853 . 1 1 78 78 VAL HB H 1 2.099 0.000 . 1 . . . A 78 VAL HB . 25397 1 854 . 1 1 78 78 VAL HG11 H 1 0.700 0.000 . 2 . . . A 78 VAL HG11 . 25397 1 855 . 1 1 78 78 VAL HG12 H 1 0.700 0.000 . 2 . . . A 78 VAL HG11 . 25397 1 856 . 1 1 78 78 VAL HG13 H 1 0.700 0.000 . 2 . . . A 78 VAL HG11 . 25397 1 857 . 1 1 78 78 VAL HG21 H 1 0.812 0.000 . 2 . . . A 78 VAL HG21 . 25397 1 858 . 1 1 78 78 VAL HG22 H 1 0.812 0.000 . 2 . . . A 78 VAL HG21 . 25397 1 859 . 1 1 78 78 VAL HG23 H 1 0.812 0.000 . 2 . . . A 78 VAL HG21 . 25397 1 860 . 1 1 78 78 VAL C C 13 178.860 0.000 . 1 . . . A 78 VAL C . 25397 1 861 . 1 1 78 78 VAL CA C 13 66.390 0.000 . 1 . . . A 78 VAL CA . 25397 1 862 . 1 1 78 78 VAL CB C 13 31.274 0.000 . 1 . . . A 78 VAL CB . 25397 1 863 . 1 1 78 78 VAL CG1 C 13 22.032 0.000 . 2 . . . A 78 VAL CG1 . 25397 1 864 . 1 1 78 78 VAL CG2 C 13 22.413 0.000 . 2 . . . A 78 VAL CG2 . 25397 1 865 . 1 1 78 78 VAL N N 15 119.155 0.000 . 1 . . . A 78 VAL N . 25397 1 866 . 1 1 79 79 ALA H H 1 8.815 0.000 . 1 . . . A 79 ALA H . 25397 1 867 . 1 1 79 79 ALA HA H 1 4.394 0.000 . 1 . . . A 79 ALA HA . 25397 1 868 . 1 1 79 79 ALA HB1 H 1 1.574 0.000 . 1 . . . A 79 ALA HB1 . 25397 1 869 . 1 1 79 79 ALA HB2 H 1 1.574 0.000 . 1 . . . A 79 ALA HB1 . 25397 1 870 . 1 1 79 79 ALA HB3 H 1 1.574 0.000 . 1 . . . A 79 ALA HB1 . 25397 1 871 . 1 1 79 79 ALA C C 13 178.299 0.000 . 1 . . . A 79 ALA C . 25397 1 872 . 1 1 79 79 ALA CA C 13 54.580 0.000 . 1 . . . A 79 ALA CA . 25397 1 873 . 1 1 79 79 ALA CB C 13 19.123 0.000 . 1 . . . A 79 ALA CB . 25397 1 874 . 1 1 79 79 ALA N N 15 120.551 0.000 . 1 . . . A 79 ALA N . 25397 1 875 . 1 1 80 80 THR H H 1 7.396 0.000 . 1 . . . A 80 THR H . 25397 1 876 . 1 1 80 80 THR HA H 1 4.465 0.000 . 1 . . . A 80 THR HA . 25397 1 877 . 1 1 80 80 THR HB H 1 4.569 0.000 . 1 . . . A 80 THR HB . 25397 1 878 . 1 1 80 80 THR HG21 H 1 1.379 0.000 . 1 . . . A 80 THR HG21 . 25397 1 879 . 1 1 80 80 THR HG22 H 1 1.379 0.000 . 1 . . . A 80 THR HG21 . 25397 1 880 . 1 1 80 80 THR HG23 H 1 1.379 0.000 . 1 . . . A 80 THR HG21 . 25397 1 881 . 1 1 80 80 THR C C 13 175.020 0.000 . 1 . . . A 80 THR C . 25397 1 882 . 1 1 80 80 THR CA C 13 61.786 0.000 . 1 . . . A 80 THR CA . 25397 1 883 . 1 1 80 80 THR CB C 13 69.341 0.000 . 1 . . . A 80 THR CB . 25397 1 884 . 1 1 80 80 THR CG2 C 13 21.753 0.000 . 1 . . . A 80 THR CG2 . 25397 1 885 . 1 1 80 80 THR N N 15 106.474 0.000 . 1 . . . A 80 THR N . 25397 1 886 . 1 1 81 81 SER H H 1 7.898 0.000 . 1 . . . A 81 SER H . 25397 1 887 . 1 1 81 81 SER HA H 1 4.569 0.000 . 1 . . . A 81 SER HA . 25397 1 888 . 1 1 81 81 SER HB2 H 1 3.857 0.000 . 2 . . . A 81 SER HB2 . 25397 1 889 . 1 1 81 81 SER HB3 H 1 3.857 0.000 . 2 . . . A 81 SER HB3 . 25397 1 890 . 1 1 81 81 SER HG H 1 5.691 0.000 . 1 . . . A 81 SER HG . 25397 1 891 . 1 1 81 81 SER CA C 13 58.138 0.000 . 1 . . . A 81 SER CA . 25397 1 892 . 1 1 81 81 SER CB C 13 62.786 0.000 . 1 . . . A 81 SER CB . 25397 1 893 . 1 1 81 81 SER N N 15 119.679 0.000 . 1 . . . A 81 SER N . 25397 1 894 . 1 1 83 83 PRO HA H 1 4.281 0.000 . 1 . . . A 83 PRO HA . 25397 1 895 . 1 1 83 83 PRO HB2 H 1 2.009 0.000 . 2 . . . A 83 PRO HB2 . 25397 1 896 . 1 1 83 83 PRO HB3 H 1 2.396 0.000 . 2 . . . A 83 PRO HB3 . 25397 1 897 . 1 1 83 83 PRO HG2 H 1 2.180 0.000 . 2 . . . A 83 PRO HG2 . 25397 1 898 . 1 1 83 83 PRO HG3 H 1 2.111 0.000 . 2 . . . A 83 PRO HG3 . 25397 1 899 . 1 1 83 83 PRO HD2 H 1 3.971 0.000 . 2 . . . A 83 PRO HD2 . 25397 1 900 . 1 1 83 83 PRO HD3 H 1 3.779 0.000 . 2 . . . A 83 PRO HD3 . 25397 1 901 . 1 1 83 83 PRO CA C 13 65.528 0.000 . 1 . . . A 83 PRO CA . 25397 1 902 . 1 1 83 83 PRO CB C 13 31.664 0.000 . 1 . . . A 83 PRO CB . 25397 1 903 . 1 1 83 83 PRO CG C 13 28.240 0.000 . 1 . . . A 83 PRO CG . 25397 1 904 . 1 1 83 83 PRO CD C 13 50.306 0.000 . 1 . . . A 83 PRO CD . 25397 1 905 . 1 1 84 84 GLN H H 1 9.186 0.000 . 1 . . . A 84 GLN H . 25397 1 906 . 1 1 84 84 GLN HA H 1 4.329 0.000 . 1 . . . A 84 GLN HA . 25397 1 907 . 1 1 84 84 GLN HB2 H 1 2.191 0.000 . 2 . . . A 84 GLN HB2 . 25397 1 908 . 1 1 84 84 GLN HB3 H 1 2.191 0.000 . 2 . . . A 84 GLN HB3 . 25397 1 909 . 1 1 84 84 GLN HG2 H 1 2.497 0.000 . 2 . . . A 84 GLN HG2 . 25397 1 910 . 1 1 84 84 GLN HG3 H 1 2.572 0.000 . 2 . . . A 84 GLN HG3 . 25397 1 911 . 1 1 84 84 GLN HE21 H 1 6.998 0.000 . 2 . . . A 84 GLN HE21 . 25397 1 912 . 1 1 84 84 GLN HE22 H 1 7.669 0.000 . 2 . . . A 84 GLN HE22 . 25397 1 913 . 1 1 84 84 GLN C C 13 177.013 0.000 . 1 . . . A 84 GLN C . 25397 1 914 . 1 1 84 84 GLN CA C 13 57.859 0.000 . 1 . . . A 84 GLN CA . 25397 1 915 . 1 1 84 84 GLN CB C 13 27.319 0.000 . 1 . . . A 84 GLN CB . 25397 1 916 . 1 1 84 84 GLN CG C 13 33.254 0.000 . 1 . . . A 84 GLN CG . 25397 1 917 . 1 1 84 84 GLN N N 15 114.760 0.000 . 1 . . . A 84 GLN N . 25397 1 918 . 1 1 84 84 GLN NE2 N 15 112.164 0.000 . 1 . . . A 84 GLN NE2 . 25397 1 919 . 1 1 85 85 SER H H 1 8.157 0.000 . 1 . . . A 85 SER H . 25397 1 920 . 1 1 85 85 SER HA H 1 4.920 0.000 . 1 . . . A 85 SER HA . 25397 1 921 . 1 1 85 85 SER HB2 H 1 4.135 0.000 . 2 . . . A 85 SER HB2 . 25397 1 922 . 1 1 85 85 SER HB3 H 1 4.135 0.000 . 2 . . . A 85 SER HB3 . 25397 1 923 . 1 1 85 85 SER C C 13 173.128 0.000 . 1 . . . A 85 SER C . 25397 1 924 . 1 1 85 85 SER CA C 13 58.455 0.000 . 1 . . . A 85 SER CA . 25397 1 925 . 1 1 85 85 SER CB C 13 64.508 0.000 . 1 . . . A 85 SER CB . 25397 1 926 . 1 1 85 85 SER N N 15 114.665 0.000 . 1 . . . A 85 SER N . 25397 1 927 . 1 1 86 86 TYR H H 1 7.438 0.000 . 1 . . . A 86 TYR H . 25397 1 928 . 1 1 86 86 TYR HA H 1 3.850 0.000 . 1 . . . A 86 TYR HA . 25397 1 929 . 1 1 86 86 TYR HB2 H 1 3.107 0.000 . 2 . . . A 86 TYR HB2 . 25397 1 930 . 1 1 86 86 TYR HB3 H 1 3.023 0.000 . 2 . . . A 86 TYR HB3 . 25397 1 931 . 1 1 86 86 TYR HD1 H 1 7.017 0.000 . 3 . . . A 86 TYR HD1 . 25397 1 932 . 1 1 86 86 TYR HD2 H 1 7.017 0.000 . 3 . . . A 86 TYR HD2 . 25397 1 933 . 1 1 86 86 TYR HE1 H 1 6.578 0.000 . 3 . . . A 86 TYR HE1 . 25397 1 934 . 1 1 86 86 TYR HE2 H 1 6.578 0.000 . 3 . . . A 86 TYR HE2 . 25397 1 935 . 1 1 86 86 TYR C C 13 175.776 0.000 . 1 . . . A 86 TYR C . 25397 1 936 . 1 1 86 86 TYR CA C 13 62.780 0.000 . 1 . . . A 86 TYR CA . 25397 1 937 . 1 1 86 86 TYR CB C 13 38.840 0.000 . 1 . . . A 86 TYR CB . 25397 1 938 . 1 1 86 86 TYR CD1 C 13 132.400 0.000 . 3 . . . A 86 TYR CD1 . 25397 1 939 . 1 1 86 86 TYR CD2 C 13 132.400 0.000 . 3 . . . A 86 TYR CD2 . 25397 1 940 . 1 1 86 86 TYR CE1 C 13 117.343 0.000 . 3 . . . A 86 TYR CE1 . 25397 1 941 . 1 1 86 86 TYR CE2 C 13 117.343 0.000 . 3 . . . A 86 TYR CE2 . 25397 1 942 . 1 1 86 86 TYR N N 15 122.845 0.000 . 1 . . . A 86 TYR N . 25397 1 943 . 1 1 87 87 SER H H 1 8.953 0.000 . 1 . . . A 87 SER H . 25397 1 944 . 1 1 87 87 SER HA H 1 3.934 0.000 . 1 . . . A 87 SER HA . 25397 1 945 . 1 1 87 87 SER HB2 H 1 3.929 0.000 . 2 . . . A 87 SER HB2 . 25397 1 946 . 1 1 87 87 SER HB3 H 1 3.929 0.000 . 2 . . . A 87 SER HB3 . 25397 1 947 . 1 1 87 87 SER C C 13 176.300 0.000 . 1 . . . A 87 SER C . 25397 1 948 . 1 1 87 87 SER CA C 13 62.022 0.000 . 1 . . . A 87 SER CA . 25397 1 949 . 1 1 87 87 SER CB C 13 62.137 0.000 . 1 . . . A 87 SER CB . 25397 1 950 . 1 1 87 87 SER N N 15 113.287 0.000 . 1 . . . A 87 SER N . 25397 1 951 . 1 1 88 88 ALA H H 1 8.040 0.000 . 1 . . . A 88 ALA H . 25397 1 952 . 1 1 88 88 ALA HA H 1 4.210 0.000 . 1 . . . A 88 ALA HA . 25397 1 953 . 1 1 88 88 ALA HB1 H 1 1.502 0.000 . 1 . . . A 88 ALA HB1 . 25397 1 954 . 1 1 88 88 ALA HB2 H 1 1.502 0.000 . 1 . . . A 88 ALA HB1 . 25397 1 955 . 1 1 88 88 ALA HB3 H 1 1.502 0.000 . 1 . . . A 88 ALA HB1 . 25397 1 956 . 1 1 88 88 ALA C C 13 181.290 0.000 . 1 . . . A 88 ALA C . 25397 1 957 . 1 1 88 88 ALA CA C 13 54.905 0.000 . 1 . . . A 88 ALA CA . 25397 1 958 . 1 1 88 88 ALA CB C 13 17.831 0.000 . 1 . . . A 88 ALA CB . 25397 1 959 . 1 1 88 88 ALA N N 15 125.109 0.000 . 1 . . . A 88 ALA N . 25397 1 960 . 1 1 89 89 VAL H H 1 8.643 0.000 . 1 . . . A 89 VAL H . 25397 1 961 . 1 1 89 89 VAL HA H 1 3.317 0.000 . 1 . . . A 89 VAL HA . 25397 1 962 . 1 1 89 89 VAL HB H 1 2.127 0.000 . 1 . . . A 89 VAL HB . 25397 1 963 . 1 1 89 89 VAL HG11 H 1 0.733 0.000 . 2 . . . A 89 VAL HG11 . 25397 1 964 . 1 1 89 89 VAL HG12 H 1 0.733 0.000 . 2 . . . A 89 VAL HG11 . 25397 1 965 . 1 1 89 89 VAL HG13 H 1 0.733 0.000 . 2 . . . A 89 VAL HG11 . 25397 1 966 . 1 1 89 89 VAL HG21 H 1 1.100 0.000 . 2 . . . A 89 VAL HG21 . 25397 1 967 . 1 1 89 89 VAL HG22 H 1 1.100 0.000 . 2 . . . A 89 VAL HG21 . 25397 1 968 . 1 1 89 89 VAL HG23 H 1 1.100 0.000 . 2 . . . A 89 VAL HG21 . 25397 1 969 . 1 1 89 89 VAL C C 13 177.682 0.000 . 1 . . . A 89 VAL C . 25397 1 970 . 1 1 89 89 VAL CA C 13 67.313 0.000 . 1 . . . A 89 VAL CA . 25397 1 971 . 1 1 89 89 VAL CB C 13 31.297 0.000 . 1 . . . A 89 VAL CB . 25397 1 972 . 1 1 89 89 VAL CG1 C 13 22.051 0.000 . 2 . . . A 89 VAL CG1 . 25397 1 973 . 1 1 89 89 VAL CG2 C 13 23.416 0.000 . 2 . . . A 89 VAL CG2 . 25397 1 974 . 1 1 89 89 VAL N N 15 122.313 0.000 . 1 . . . A 89 VAL N . 25397 1 975 . 1 1 90 90 LEU H H 1 8.366 0.000 . 1 . . . A 90 LEU H . 25397 1 976 . 1 1 90 90 LEU HA H 1 3.584 0.000 . 1 . . . A 90 LEU HA . 25397 1 977 . 1 1 90 90 LEU HB2 H 1 1.126 0.000 . 2 . . . A 90 LEU HB2 . 25397 1 978 . 1 1 90 90 LEU HB3 H 1 1.555 0.000 . 2 . . . A 90 LEU HB3 . 25397 1 979 . 1 1 90 90 LEU HG H 1 1.331 0.000 . 1 . . . A 90 LEU HG . 25397 1 980 . 1 1 90 90 LEU HD11 H 1 0.667 0.000 . 2 . . . A 90 LEU HD11 . 25397 1 981 . 1 1 90 90 LEU HD12 H 1 0.667 0.000 . 2 . . . A 90 LEU HD11 . 25397 1 982 . 1 1 90 90 LEU HD13 H 1 0.667 0.000 . 2 . . . A 90 LEU HD11 . 25397 1 983 . 1 1 90 90 LEU HD21 H 1 0.771 0.000 . 2 . . . A 90 LEU HD21 . 25397 1 984 . 1 1 90 90 LEU HD22 H 1 0.771 0.000 . 2 . . . A 90 LEU HD21 . 25397 1 985 . 1 1 90 90 LEU HD23 H 1 0.771 0.000 . 2 . . . A 90 LEU HD21 . 25397 1 986 . 1 1 90 90 LEU C C 13 179.340 0.000 . 1 . . . A 90 LEU C . 25397 1 987 . 1 1 90 90 LEU CA C 13 58.664 0.000 . 1 . . . A 90 LEU CA . 25397 1 988 . 1 1 90 90 LEU CB C 13 41.468 0.000 . 1 . . . A 90 LEU CB . 25397 1 989 . 1 1 90 90 LEU CG C 13 26.659 0.000 . 1 . . . A 90 LEU CG . 25397 1 990 . 1 1 90 90 LEU CD1 C 13 24.550 0.000 . 2 . . . A 90 LEU CD1 . 25397 1 991 . 1 1 90 90 LEU CD2 C 13 25.345 0.000 . 2 . . . A 90 LEU CD2 . 25397 1 992 . 1 1 90 90 LEU N N 15 120.674 0.000 . 1 . . . A 90 LEU N . 25397 1 993 . 1 1 91 91 ASN H H 1 8.370 0.000 . 1 . . . A 91 ASN H . 25397 1 994 . 1 1 91 91 ASN HA H 1 4.388 0.000 . 1 . . . A 91 ASN HA . 25397 1 995 . 1 1 91 91 ASN HB2 H 1 2.897 0.000 . 2 . . . A 91 ASN HB2 . 25397 1 996 . 1 1 91 91 ASN HB3 H 1 2.799 0.000 . 2 . . . A 91 ASN HB3 . 25397 1 997 . 1 1 91 91 ASN HD21 H 1 7.591 0.000 . 2 . . . A 91 ASN HD21 . 25397 1 998 . 1 1 91 91 ASN HD22 H 1 6.909 0.000 . 2 . . . A 91 ASN HD22 . 25397 1 999 . 1 1 91 91 ASN C C 13 178.482 0.000 . 1 . . . A 91 ASN C . 25397 1 1000 . 1 1 91 91 ASN CA C 13 56.156 0.000 . 1 . . . A 91 ASN CA . 25397 1 1001 . 1 1 91 91 ASN CB C 13 38.186 0.000 . 1 . . . A 91 ASN CB . 25397 1 1002 . 1 1 91 91 ASN N N 15 116.427 0.000 . 1 . . . A 91 ASN N . 25397 1 1003 . 1 1 91 91 ASN ND2 N 15 112.641 0.000 . 1 . . . A 91 ASN ND2 . 25397 1 1004 . 1 1 92 92 THR H H 1 8.300 0.000 . 1 . . . A 92 THR H . 25397 1 1005 . 1 1 92 92 THR HA H 1 3.970 0.000 . 1 . . . A 92 THR HA . 25397 1 1006 . 1 1 92 92 THR HB H 1 4.276 0.000 . 1 . . . A 92 THR HB . 25397 1 1007 . 1 1 92 92 THR HG1 H 1 5.193 0.000 . 1 . . . A 92 THR HG1 . 25397 1 1008 . 1 1 92 92 THR HG21 H 1 1.247 0.000 . 1 . . . A 92 THR HG21 . 25397 1 1009 . 1 1 92 92 THR HG22 H 1 1.247 0.000 . 1 . . . A 92 THR HG21 . 25397 1 1010 . 1 1 92 92 THR HG23 H 1 1.247 0.000 . 1 . . . A 92 THR HG21 . 25397 1 1011 . 1 1 92 92 THR C C 13 174.910 0.000 . 1 . . . A 92 THR C . 25397 1 1012 . 1 1 92 92 THR CA C 13 67.417 0.000 . 1 . . . A 92 THR CA . 25397 1 1013 . 1 1 92 92 THR CB C 13 68.325 0.000 . 1 . . . A 92 THR CB . 25397 1 1014 . 1 1 92 92 THR CG2 C 13 20.121 0.000 . 1 . . . A 92 THR CG2 . 25397 1 1015 . 1 1 92 92 THR N N 15 119.681 0.000 . 1 . . . A 92 THR N . 25397 1 1016 . 1 1 93 93 ILE H H 1 8.657 0.000 . 1 . . . A 93 ILE H . 25397 1 1017 . 1 1 93 93 ILE HA H 1 3.441 0.000 . 1 . . . A 93 ILE HA . 25397 1 1018 . 1 1 93 93 ILE HB H 1 2.055 0.000 . 1 . . . A 93 ILE HB . 25397 1 1019 . 1 1 93 93 ILE HG12 H 1 1.267 0.000 . 2 . . . A 93 ILE HG12 . 25397 1 1020 . 1 1 93 93 ILE HG13 H 1 1.484 0.000 . 2 . . . A 93 ILE HG13 . 25397 1 1021 . 1 1 93 93 ILE HG21 H 1 0.778 0.000 . 1 . . . A 93 ILE HG21 . 25397 1 1022 . 1 1 93 93 ILE HG22 H 1 0.778 0.000 . 1 . . . A 93 ILE HG21 . 25397 1 1023 . 1 1 93 93 ILE HG23 H 1 0.778 0.000 . 1 . . . A 93 ILE HG21 . 25397 1 1024 . 1 1 93 93 ILE HD11 H 1 0.609 0.000 . 1 . . . A 93 ILE HD11 . 25397 1 1025 . 1 1 93 93 ILE HD12 H 1 0.609 0.000 . 1 . . . A 93 ILE HD11 . 25397 1 1026 . 1 1 93 93 ILE HD13 H 1 0.609 0.000 . 1 . . . A 93 ILE HD11 . 25397 1 1027 . 1 1 93 93 ILE C C 13 177.618 0.000 . 1 . . . A 93 ILE C . 25397 1 1028 . 1 1 93 93 ILE CA C 13 63.777 0.000 . 1 . . . A 93 ILE CA . 25397 1 1029 . 1 1 93 93 ILE CB C 13 35.180 0.000 . 1 . . . A 93 ILE CB . 25397 1 1030 . 1 1 93 93 ILE CG1 C 13 28.299 0.000 . 1 . . . A 93 ILE CG1 . 25397 1 1031 . 1 1 93 93 ILE CG2 C 13 16.829 0.000 . 1 . . . A 93 ILE CG2 . 25397 1 1032 . 1 1 93 93 ILE CD1 C 13 9.958 0.000 . 1 . . . A 93 ILE CD1 . 25397 1 1033 . 1 1 93 93 ILE N N 15 122.233 0.000 . 1 . . . A 93 ILE N . 25397 1 1034 . 1 1 94 94 GLY H H 1 8.350 0.000 . 1 . . . A 94 GLY H . 25397 1 1035 . 1 1 94 94 GLY HA2 H 1 3.956 0.000 . 2 . . . A 94 GLY HA2 . 25397 1 1036 . 1 1 94 94 GLY HA3 H 1 4.036 0.000 . 2 . . . A 94 GLY HA3 . 25397 1 1037 . 1 1 94 94 GLY C C 13 176.183 0.000 . 1 . . . A 94 GLY C . 25397 1 1038 . 1 1 94 94 GLY CA C 13 47.404 0.000 . 1 . . . A 94 GLY CA . 25397 1 1039 . 1 1 94 94 GLY N N 15 106.976 0.000 . 1 . . . A 94 GLY N . 25397 1 1040 . 1 1 95 95 ALA H H 1 8.139 0.000 . 1 . . . A 95 ALA H . 25397 1 1041 . 1 1 95 95 ALA HA H 1 4.181 0.000 . 1 . . . A 95 ALA HA . 25397 1 1042 . 1 1 95 95 ALA HB1 H 1 1.528 0.000 . 1 . . . A 95 ALA HB1 . 25397 1 1043 . 1 1 95 95 ALA HB2 H 1 1.528 0.000 . 1 . . . A 95 ALA HB1 . 25397 1 1044 . 1 1 95 95 ALA HB3 H 1 1.528 0.000 . 1 . . . A 95 ALA HB1 . 25397 1 1045 . 1 1 95 95 ALA C C 13 181.495 0.000 . 1 . . . A 95 ALA C . 25397 1 1046 . 1 1 95 95 ALA CA C 13 55.227 0.000 . 1 . . . A 95 ALA CA . 25397 1 1047 . 1 1 95 95 ALA CB C 13 17.828 0.000 . 1 . . . A 95 ALA CB . 25397 1 1048 . 1 1 95 95 ALA N N 15 124.719 0.000 . 1 . . . A 95 ALA N . 25397 1 1049 . 1 1 96 96 CYS H H 1 8.918 0.000 . 1 . . . A 96 CYS H . 25397 1 1050 . 1 1 96 96 CYS HA H 1 4.686 0.000 . 1 . . . A 96 CYS HA . 25397 1 1051 . 1 1 96 96 CYS HB2 H 1 3.089 0.000 . 2 . . . A 96 CYS HB2 . 25397 1 1052 . 1 1 96 96 CYS HB3 H 1 2.886 0.000 . 2 . . . A 96 CYS HB3 . 25397 1 1053 . 1 1 96 96 CYS C C 13 178.337 0.000 . 1 . . . A 96 CYS C . 25397 1 1054 . 1 1 96 96 CYS CA C 13 56.134 0.000 . 1 . . . A 96 CYS CA . 25397 1 1055 . 1 1 96 96 CYS CB C 13 37.206 0.000 . 1 . . . A 96 CYS CB . 25397 1 1056 . 1 1 96 96 CYS N N 15 116.226 0.000 . 1 . . . A 96 CYS N . 25397 1 1057 . 1 1 97 97 LEU H H 1 9.326 0.000 . 1 . . . A 97 LEU H . 25397 1 1058 . 1 1 97 97 LEU HA H 1 4.076 0.000 . 1 . . . A 97 LEU HA . 25397 1 1059 . 1 1 97 97 LEU HB2 H 1 1.697 0.000 . 2 . . . A 97 LEU HB2 . 25397 1 1060 . 1 1 97 97 LEU HB3 H 1 2.003 0.000 . 2 . . . A 97 LEU HB3 . 25397 1 1061 . 1 1 97 97 LEU HG H 1 1.708 0.000 . 1 . . . A 97 LEU HG . 25397 1 1062 . 1 1 97 97 LEU HD11 H 1 0.997 0.000 . 2 . . . A 97 LEU HD11 . 25397 1 1063 . 1 1 97 97 LEU HD12 H 1 0.997 0.000 . 2 . . . A 97 LEU HD11 . 25397 1 1064 . 1 1 97 97 LEU HD13 H 1 0.997 0.000 . 2 . . . A 97 LEU HD11 . 25397 1 1065 . 1 1 97 97 LEU HD21 H 1 0.846 0.000 . 2 . . . A 97 LEU HD21 . 25397 1 1066 . 1 1 97 97 LEU HD22 H 1 0.846 0.000 . 2 . . . A 97 LEU HD21 . 25397 1 1067 . 1 1 97 97 LEU HD23 H 1 0.846 0.000 . 2 . . . A 97 LEU HD21 . 25397 1 1068 . 1 1 97 97 LEU C C 13 177.682 0.000 . 1 . . . A 97 LEU C . 25397 1 1069 . 1 1 97 97 LEU CA C 13 58.852 0.000 . 1 . . . A 97 LEU CA . 25397 1 1070 . 1 1 97 97 LEU CB C 13 41.420 0.000 . 1 . . . A 97 LEU CB . 25397 1 1071 . 1 1 97 97 LEU CG C 13 26.941 0.000 . 1 . . . A 97 LEU CG . 25397 1 1072 . 1 1 97 97 LEU CD1 C 13 24.359 0.000 . 2 . . . A 97 LEU CD1 . 25397 1 1073 . 1 1 97 97 LEU CD2 C 13 26.044 0.000 . 2 . . . A 97 LEU CD2 . 25397 1 1074 . 1 1 97 97 LEU N N 15 127.985 0.000 . 1 . . . A 97 LEU N . 25397 1 1075 . 1 1 98 98 ARG H H 1 7.570 0.000 . 1 . . . A 98 ARG H . 25397 1 1076 . 1 1 98 98 ARG HA H 1 3.950 0.000 . 1 . . . A 98 ARG HA . 25397 1 1077 . 1 1 98 98 ARG HB2 H 1 1.981 0.000 . 2 . . . A 98 ARG HB2 . 25397 1 1078 . 1 1 98 98 ARG HB3 H 1 1.981 0.000 . 2 . . . A 98 ARG HB3 . 25397 1 1079 . 1 1 98 98 ARG HG2 H 1 1.529 0.000 . 2 . . . A 98 ARG HG2 . 25397 1 1080 . 1 1 98 98 ARG HG3 H 1 1.933 0.000 . 2 . . . A 98 ARG HG3 . 25397 1 1081 . 1 1 98 98 ARG HD2 H 1 3.266 0.000 . 2 . . . A 98 ARG HD2 . 25397 1 1082 . 1 1 98 98 ARG HD3 H 1 3.266 0.000 . 2 . . . A 98 ARG HD3 . 25397 1 1083 . 1 1 98 98 ARG C C 13 178.351 0.000 . 1 . . . A 98 ARG C . 25397 1 1084 . 1 1 98 98 ARG CA C 13 60.487 0.000 . 1 . . . A 98 ARG CA . 25397 1 1085 . 1 1 98 98 ARG CB C 13 29.965 0.000 . 1 . . . A 98 ARG CB . 25397 1 1086 . 1 1 98 98 ARG CG C 13 28.268 0.000 . 1 . . . A 98 ARG CG . 25397 1 1087 . 1 1 98 98 ARG CD C 13 43.088 0.000 . 1 . . . A 98 ARG CD . 25397 1 1088 . 1 1 98 98 ARG N N 15 118.461 0.000 . 1 . . . A 98 ARG N . 25397 1 1089 . 1 1 99 99 GLU H H 1 8.158 0.000 . 1 . . . A 99 GLU H . 25397 1 1090 . 1 1 99 99 GLU HA H 1 3.996 0.000 . 1 . . . A 99 GLU HA . 25397 1 1091 . 1 1 99 99 GLU HB2 H 1 2.157 0.000 . 2 . . . A 99 GLU HB2 . 25397 1 1092 . 1 1 99 99 GLU HB3 H 1 2.079 0.000 . 2 . . . A 99 GLU HB3 . 25397 1 1093 . 1 1 99 99 GLU HG2 H 1 2.320 0.000 . 2 . . . A 99 GLU HG2 . 25397 1 1094 . 1 1 99 99 GLU HG3 H 1 2.159 0.000 . 2 . . . A 99 GLU HG3 . 25397 1 1095 . 1 1 99 99 GLU C C 13 179.014 0.000 . 1 . . . A 99 GLU C . 25397 1 1096 . 1 1 99 99 GLU CA C 13 59.495 0.000 . 1 . . . A 99 GLU CA . 25397 1 1097 . 1 1 99 99 GLU CB C 13 30.223 0.000 . 1 . . . A 99 GLU CB . 25397 1 1098 . 1 1 99 99 GLU CG C 13 36.228 0.000 . 1 . . . A 99 GLU CG . 25397 1 1099 . 1 1 99 99 GLU N N 15 118.098 0.000 . 1 . . . A 99 GLU N . 25397 1 1100 . 1 1 100 100 SER H H 1 8.487 0.000 . 1 . . . A 100 SER H . 25397 1 1101 . 1 1 100 100 SER HA H 1 4.238 0.000 . 1 . . . A 100 SER HA . 25397 1 1102 . 1 1 100 100 SER HG H 1 4.714 0.000 . 1 . . . A 100 SER HG . 25397 1 1103 . 1 1 100 100 SER C C 13 176.498 0.000 . 1 . . . A 100 SER C . 25397 1 1104 . 1 1 100 100 SER CA C 13 62.394 0.000 . 1 . . . A 100 SER CA . 25397 1 1105 . 1 1 100 100 SER N N 15 115.378 0.000 . 1 . . . A 100 SER N . 25397 1 1106 . 1 1 101 101 MET H H 1 8.269 0.000 . 1 . . . A 101 MET H . 25397 1 1107 . 1 1 101 101 MET HA H 1 4.083 0.000 . 1 . . . A 101 MET HA . 25397 1 1108 . 1 1 101 101 MET HB2 H 1 2.290 0.000 . 2 . . . A 101 MET HB2 . 25397 1 1109 . 1 1 101 101 MET HB3 H 1 2.290 0.000 . 2 . . . A 101 MET HB3 . 25397 1 1110 . 1 1 101 101 MET HG2 H 1 2.584 0.000 . 2 . . . A 101 MET HG2 . 25397 1 1111 . 1 1 101 101 MET HG3 H 1 2.779 0.000 . 2 . . . A 101 MET HG3 . 25397 1 1112 . 1 1 101 101 MET HE1 H 1 1.886 0.000 . 1 . . . A 101 MET HE1 . 25397 1 1113 . 1 1 101 101 MET HE2 H 1 1.886 0.000 . 1 . . . A 101 MET HE1 . 25397 1 1114 . 1 1 101 101 MET HE3 H 1 1.886 0.000 . 1 . . . A 101 MET HE1 . 25397 1 1115 . 1 1 101 101 MET C C 13 178.898 0.000 . 1 . . . A 101 MET C . 25397 1 1116 . 1 1 101 101 MET CA C 13 59.197 0.000 . 1 . . . A 101 MET CA . 25397 1 1117 . 1 1 101 101 MET CB C 13 32.207 0.000 . 1 . . . A 101 MET CB . 25397 1 1118 . 1 1 101 101 MET CG C 13 33.584 0.000 . 1 . . . A 101 MET CG . 25397 1 1119 . 1 1 101 101 MET CE C 13 18.485 0.000 . 1 . . . A 101 MET CE . 25397 1 1120 . 1 1 101 101 MET N N 15 122.252 0.000 . 1 . . . A 101 MET N . 25397 1 1121 . 1 1 102 102 MET H H 1 8.031 0.000 . 1 . . . A 102 MET H . 25397 1 1122 . 1 1 102 102 MET HA H 1 4.094 0.000 . 1 . . . A 102 MET HA . 25397 1 1123 . 1 1 102 102 MET HB2 H 1 2.020 0.000 . 2 . . . A 102 MET HB2 . 25397 1 1124 . 1 1 102 102 MET HB3 H 1 2.201 0.000 . 2 . . . A 102 MET HB3 . 25397 1 1125 . 1 1 102 102 MET HG2 H 1 2.474 0.000 . 2 . . . A 102 MET HG2 . 25397 1 1126 . 1 1 102 102 MET HG3 H 1 2.388 0.000 . 2 . . . A 102 MET HG3 . 25397 1 1127 . 1 1 102 102 MET HE1 H 1 1.999 0.000 . 1 . . . A 102 MET HE1 . 25397 1 1128 . 1 1 102 102 MET HE2 H 1 1.999 0.000 . 1 . . . A 102 MET HE1 . 25397 1 1129 . 1 1 102 102 MET HE3 H 1 1.999 0.000 . 1 . . . A 102 MET HE1 . 25397 1 1130 . 1 1 102 102 MET C C 13 179.821 0.000 . 1 . . . A 102 MET C . 25397 1 1131 . 1 1 102 102 MET CA C 13 58.158 0.000 . 1 . . . A 102 MET CA . 25397 1 1132 . 1 1 102 102 MET CB C 13 31.331 0.000 . 1 . . . A 102 MET CB . 25397 1 1133 . 1 1 102 102 MET CG C 13 31.610 0.000 . 1 . . . A 102 MET CG . 25397 1 1134 . 1 1 102 102 MET CE C 13 16.847 0.000 . 1 . . . A 102 MET CE . 25397 1 1135 . 1 1 102 102 MET N N 15 122.149 0.000 . 1 . . . A 102 MET N . 25397 1 1136 . 1 1 103 103 GLN H H 1 8.361 0.000 . 1 . . . A 103 GLN H . 25397 1 1137 . 1 1 103 103 GLN HA H 1 3.963 0.000 . 1 . . . A 103 GLN HA . 25397 1 1138 . 1 1 103 103 GLN HB2 H 1 1.958 0.000 . 2 . . . A 103 GLN HB2 . 25397 1 1139 . 1 1 103 103 GLN HB3 H 1 2.090 0.000 . 2 . . . A 103 GLN HB3 . 25397 1 1140 . 1 1 103 103 GLN HG2 H 1 2.448 0.000 . 2 . . . A 103 GLN HG2 . 25397 1 1141 . 1 1 103 103 GLN HG3 H 1 2.406 0.000 . 2 . . . A 103 GLN HG3 . 25397 1 1142 . 1 1 103 103 GLN HE21 H 1 7.364 0.000 . 2 . . . A 103 GLN HE21 . 25397 1 1143 . 1 1 103 103 GLN HE22 H 1 6.859 0.000 . 2 . . . A 103 GLN HE22 . 25397 1 1144 . 1 1 103 103 GLN C C 13 177.609 0.000 . 1 . . . A 103 GLN C . 25397 1 1145 . 1 1 103 103 GLN CA C 13 58.193 0.000 . 1 . . . A 103 GLN CA . 25397 1 1146 . 1 1 103 103 GLN CB C 13 28.373 0.000 . 1 . . . A 103 GLN CB . 25397 1 1147 . 1 1 103 103 GLN CG C 13 33.579 0.000 . 1 . . . A 103 GLN CG . 25397 1 1148 . 1 1 103 103 GLN N N 15 119.006 0.000 . 1 . . . A 103 GLN N . 25397 1 1149 . 1 1 103 103 GLN NE2 N 15 111.194 0.000 . 1 . . . A 103 GLN NE2 . 25397 1 1150 . 1 1 104 104 ALA H H 1 7.903 0.000 . 1 . . . A 104 ALA H . 25397 1 1151 . 1 1 104 104 ALA HA H 1 4.207 0.000 . 1 . . . A 104 ALA HA . 25397 1 1152 . 1 1 104 104 ALA HB1 H 1 1.496 0.000 . 1 . . . A 104 ALA HB1 . 25397 1 1153 . 1 1 104 104 ALA HB2 H 1 1.496 0.000 . 1 . . . A 104 ALA HB1 . 25397 1 1154 . 1 1 104 104 ALA HB3 H 1 1.496 0.000 . 1 . . . A 104 ALA HB1 . 25397 1 1155 . 1 1 104 104 ALA C C 13 178.715 0.000 . 1 . . . A 104 ALA C . 25397 1 1156 . 1 1 104 104 ALA CA C 13 54.264 0.000 . 1 . . . A 104 ALA CA . 25397 1 1157 . 1 1 104 104 ALA CB C 13 20.772 0.000 . 1 . . . A 104 ALA CB . 25397 1 1158 . 1 1 104 104 ALA N N 15 117.647 0.000 . 1 . . . A 104 ALA N . 25397 1 1159 . 1 1 105 105 THR H H 1 8.188 0.000 . 1 . . . A 105 THR H . 25397 1 1160 . 1 1 105 105 THR HA H 1 4.686 0.000 . 1 . . . A 105 THR HA . 25397 1 1161 . 1 1 105 105 THR HB H 1 4.666 0.000 . 1 . . . A 105 THR HB . 25397 1 1162 . 1 1 105 105 THR HG21 H 1 1.093 0.000 . 1 . . . A 105 THR HG21 . 25397 1 1163 . 1 1 105 105 THR HG22 H 1 1.093 0.000 . 1 . . . A 105 THR HG21 . 25397 1 1164 . 1 1 105 105 THR HG23 H 1 1.093 0.000 . 1 . . . A 105 THR HG21 . 25397 1 1165 . 1 1 105 105 THR C C 13 175.805 0.000 . 1 . . . A 105 THR C . 25397 1 1166 . 1 1 105 105 THR CA C 13 61.963 0.000 . 1 . . . A 105 THR CA . 25397 1 1167 . 1 1 105 105 THR CB C 13 72.610 0.000 . 1 . . . A 105 THR CB . 25397 1 1168 . 1 1 105 105 THR CG2 C 13 21.431 0.000 . 1 . . . A 105 THR CG2 . 25397 1 1169 . 1 1 105 105 THR N N 15 103.227 0.000 . 1 . . . A 105 THR N . 25397 1 1170 . 1 1 106 106 GLY H H 1 8.361 0.000 . 1 . . . A 106 GLY H . 25397 1 1171 . 1 1 106 106 GLY HA2 H 1 4.334 0.000 . 2 . . . A 106 GLY HA2 . 25397 1 1172 . 1 1 106 106 GLY HA3 H 1 3.845 0.000 . 2 . . . A 106 GLY HA3 . 25397 1 1173 . 1 1 106 106 GLY C C 13 173.230 0.000 . 1 . . . A 106 GLY C . 25397 1 1174 . 1 1 106 106 GLY CA C 13 45.684 0.000 . 1 . . . A 106 GLY CA . 25397 1 1175 . 1 1 106 106 GLY N N 15 112.695 0.000 . 1 . . . A 106 GLY N . 25397 1 1176 . 1 1 107 107 SER H H 1 8.026 0.000 . 1 . . . A 107 SER H . 25397 1 1177 . 1 1 107 107 SER HA H 1 4.606 0.000 . 1 . . . A 107 SER HA . 25397 1 1178 . 1 1 107 107 SER HB2 H 1 3.690 0.000 . 2 . . . A 107 SER HB2 . 25397 1 1179 . 1 1 107 107 SER HB3 H 1 3.690 0.000 . 2 . . . A 107 SER HB3 . 25397 1 1180 . 1 1 107 107 SER C C 13 171.751 0.000 . 1 . . . A 107 SER C . 25397 1 1181 . 1 1 107 107 SER CA C 13 57.159 0.000 . 1 . . . A 107 SER CA . 25397 1 1182 . 1 1 107 107 SER CB C 13 65.115 0.000 . 1 . . . A 107 SER CB . 25397 1 1183 . 1 1 107 107 SER N N 15 114.659 0.000 . 1 . . . A 107 SER N . 25397 1 1184 . 1 1 108 108 VAL H H 1 8.148 0.000 . 1 . . . A 108 VAL H . 25397 1 1185 . 1 1 108 108 VAL HA H 1 3.988 0.000 . 1 . . . A 108 VAL HA . 25397 1 1186 . 1 1 108 108 VAL HB H 1 1.991 0.000 . 1 . . . A 108 VAL HB . 25397 1 1187 . 1 1 108 108 VAL HG11 H 1 0.947 0.000 . 2 . . . A 108 VAL HG11 . 25397 1 1188 . 1 1 108 108 VAL HG12 H 1 0.947 0.000 . 2 . . . A 108 VAL HG11 . 25397 1 1189 . 1 1 108 108 VAL HG13 H 1 0.947 0.000 . 2 . . . A 108 VAL HG11 . 25397 1 1190 . 1 1 108 108 VAL HG21 H 1 0.877 0.000 . 2 . . . A 108 VAL HG21 . 25397 1 1191 . 1 1 108 108 VAL HG22 H 1 0.877 0.000 . 2 . . . A 108 VAL HG21 . 25397 1 1192 . 1 1 108 108 VAL HG23 H 1 0.877 0.000 . 2 . . . A 108 VAL HG21 . 25397 1 1193 . 1 1 108 108 VAL C C 13 175.136 0.000 . 1 . . . A 108 VAL C . 25397 1 1194 . 1 1 108 108 VAL CA C 13 62.038 0.000 . 1 . . . A 108 VAL CA . 25397 1 1195 . 1 1 108 108 VAL CB C 13 33.351 0.000 . 1 . . . A 108 VAL CB . 25397 1 1196 . 1 1 108 108 VAL CG1 C 13 21.457 0.000 . 2 . . . A 108 VAL CG1 . 25397 1 1197 . 1 1 108 108 VAL CG2 C 13 21.747 0.000 . 2 . . . A 108 VAL CG2 . 25397 1 1198 . 1 1 108 108 VAL N N 15 117.443 0.000 . 1 . . . A 108 VAL N . 25397 1 1199 . 1 1 109 109 ASP H H 1 7.712 0.000 . 1 . . . A 109 ASP H . 25397 1 1200 . 1 1 109 109 ASP HA H 1 4.723 0.000 . 1 . . . A 109 ASP HA . 25397 1 1201 . 1 1 109 109 ASP HB2 H 1 2.505 0.000 . 2 . . . A 109 ASP HB2 . 25397 1 1202 . 1 1 109 109 ASP HB3 H 1 2.888 0.000 . 2 . . . A 109 ASP HB3 . 25397 1 1203 . 1 1 109 109 ASP C C 13 175.994 0.000 . 1 . . . A 109 ASP C . 25397 1 1204 . 1 1 109 109 ASP CA C 13 52.813 0.000 . 1 . . . A 109 ASP CA . 25397 1 1205 . 1 1 109 109 ASP CB C 13 41.005 0.000 . 1 . . . A 109 ASP CB . 25397 1 1206 . 1 1 109 109 ASP N N 15 125.236 0.000 . 1 . . . A 109 ASP N . 25397 1 1207 . 1 1 110 110 ASN HA H 1 4.621 0.000 . 1 . . . A 110 ASN HA . 25397 1 1208 . 1 1 110 110 ASN HB2 H 1 2.721 0.000 . 2 . . . A 110 ASN HB2 . 25397 1 1209 . 1 1 110 110 ASN HB3 H 1 2.721 0.000 . 2 . . . A 110 ASN HB3 . 25397 1 1210 . 1 1 110 110 ASN HD21 H 1 6.961 0.000 . 2 . . . A 110 ASN HD21 . 25397 1 1211 . 1 1 110 110 ASN HD22 H 1 7.665 0.000 . 2 . . . A 110 ASN HD22 . 25397 1 1212 . 1 1 110 110 ASN CA C 13 55.470 0.000 . 1 . . . A 110 ASN CA . 25397 1 1213 . 1 1 110 110 ASN CB C 13 38.840 0.000 . 1 . . . A 110 ASN CB . 25397 1 1214 . 1 1 110 110 ASN N N 15 113.565 0.000 . 1 . . . A 110 ASN N . 25397 1 1215 . 1 1 110 110 ASN ND2 N 15 113.518 0.000 . 1 . . . A 110 ASN ND2 . 25397 1 1216 . 1 1 111 111 ALA H H 1 8.320 0.000 . 1 . . . A 111 ALA H . 25397 1 1217 . 1 1 111 111 ALA HA H 1 4.199 0.000 . 1 . . . A 111 ALA HA . 25397 1 1218 . 1 1 111 111 ALA HB1 H 1 1.539 0.000 . 1 . . . A 111 ALA HB1 . 25397 1 1219 . 1 1 111 111 ALA HB2 H 1 1.539 0.000 . 1 . . . A 111 ALA HB1 . 25397 1 1220 . 1 1 111 111 ALA HB3 H 1 1.539 0.000 . 1 . . . A 111 ALA HB1 . 25397 1 1221 . 1 1 111 111 ALA C C 13 180.403 0.000 . 1 . . . A 111 ALA C . 25397 1 1222 . 1 1 111 111 ALA CA C 13 55.198 0.000 . 1 . . . A 111 ALA CA . 25397 1 1223 . 1 1 111 111 ALA CB C 13 17.848 0.000 . 1 . . . A 111 ALA CB . 25397 1 1224 . 1 1 111 111 ALA N N 15 122.758 0.000 . 1 . . . A 111 ALA N . 25397 1 1225 . 1 1 112 112 PHE H H 1 7.883 0.000 . 1 . . . A 112 PHE H . 25397 1 1226 . 1 1 112 112 PHE HA H 1 4.412 0.000 . 1 . . . A 112 PHE HA . 25397 1 1227 . 1 1 112 112 PHE HB2 H 1 2.920 0.000 . 2 . . . A 112 PHE HB2 . 25397 1 1228 . 1 1 112 112 PHE HB3 H 1 3.268 0.000 . 2 . . . A 112 PHE HB3 . 25397 1 1229 . 1 1 112 112 PHE HD1 H 1 7.251 0.000 . 3 . . . A 112 PHE HD1 . 25397 1 1230 . 1 1 112 112 PHE HD2 H 1 7.251 0.000 . 3 . . . A 112 PHE HD2 . 25397 1 1231 . 1 1 112 112 PHE HE1 H 1 7.288 0.000 . 3 . . . A 112 PHE HE1 . 25397 1 1232 . 1 1 112 112 PHE HE2 H 1 7.288 0.000 . 3 . . . A 112 PHE HE2 . 25397 1 1233 . 1 1 112 112 PHE HZ H 1 7.053 0.000 . 1 . . . A 112 PHE HZ . 25397 1 1234 . 1 1 112 112 PHE C C 13 176.609 0.000 . 1 . . . A 112 PHE C . 25397 1 1235 . 1 1 112 112 PHE CA C 13 60.495 0.000 . 1 . . . A 112 PHE CA . 25397 1 1236 . 1 1 112 112 PHE CB C 13 39.393 0.000 . 1 . . . A 112 PHE CB . 25397 1 1237 . 1 1 112 112 PHE CD1 C 13 131.478 0.000 . 3 . . . A 112 PHE CD1 . 25397 1 1238 . 1 1 112 112 PHE CD2 C 13 131.478 0.000 . 3 . . . A 112 PHE CD2 . 25397 1 1239 . 1 1 112 112 PHE CE1 C 13 130.572 0.000 . 3 . . . A 112 PHE CE1 . 25397 1 1240 . 1 1 112 112 PHE CE2 C 13 130.572 0.000 . 3 . . . A 112 PHE CE2 . 25397 1 1241 . 1 1 112 112 PHE CZ C 13 128.650 0.000 . 1 . . . A 112 PHE CZ . 25397 1 1242 . 1 1 112 112 PHE N N 15 120.062 0.000 . 1 . . . A 112 PHE N . 25397 1 1243 . 1 1 113 113 THR H H 1 8.238 0.000 . 1 . . . A 113 THR H . 25397 1 1244 . 1 1 113 113 THR HA H 1 3.451 0.000 . 1 . . . A 113 THR HA . 25397 1 1245 . 1 1 113 113 THR HB H 1 4.130 0.000 . 1 . . . A 113 THR HB . 25397 1 1246 . 1 1 113 113 THR HG21 H 1 1.232 0.000 . 1 . . . A 113 THR HG21 . 25397 1 1247 . 1 1 113 113 THR HG22 H 1 1.232 0.000 . 1 . . . A 113 THR HG21 . 25397 1 1248 . 1 1 113 113 THR HG23 H 1 1.232 0.000 . 1 . . . A 113 THR HG21 . 25397 1 1249 . 1 1 113 113 THR C C 13 176.736 0.000 . 1 . . . A 113 THR C . 25397 1 1250 . 1 1 113 113 THR CA C 13 66.387 0.000 . 1 . . . A 113 THR CA . 25397 1 1251 . 1 1 113 113 THR CB C 13 67.442 0.000 . 1 . . . A 113 THR CB . 25397 1 1252 . 1 1 113 113 THR CG2 C 13 23.024 0.000 . 1 . . . A 113 THR CG2 . 25397 1 1253 . 1 1 113 113 THR N N 15 111.774 0.000 . 1 . . . A 113 THR N . 25397 1 1254 . 1 1 114 114 ASN H H 1 8.312 0.000 . 1 . . . A 114 ASN H . 25397 1 1255 . 1 1 114 114 ASN HA H 1 4.385 0.000 . 1 . . . A 114 ASN HA . 25397 1 1256 . 1 1 114 114 ASN HB2 H 1 2.936 0.000 . 2 . . . A 114 ASN HB2 . 25397 1 1257 . 1 1 114 114 ASN HB3 H 1 2.752 0.000 . 2 . . . A 114 ASN HB3 . 25397 1 1258 . 1 1 114 114 ASN HD21 H 1 6.933 0.000 . 2 . . . A 114 ASN HD21 . 25397 1 1259 . 1 1 114 114 ASN HD22 H 1 7.658 0.000 . 2 . . . A 114 ASN HD22 . 25397 1 1260 . 1 1 114 114 ASN C C 13 177.557 0.000 . 1 . . . A 114 ASN C . 25397 1 1261 . 1 1 114 114 ASN CA C 13 55.891 0.000 . 1 . . . A 114 ASN CA . 25397 1 1262 . 1 1 114 114 ASN CB C 13 37.829 0.000 . 1 . . . A 114 ASN CB . 25397 1 1263 . 1 1 114 114 ASN N N 15 118.959 0.000 . 1 . . . A 114 ASN N . 25397 1 1264 . 1 1 114 114 ASN ND2 N 15 112.614 0.000 . 1 . . . A 114 ASN ND2 . 25397 1 1265 . 1 1 115 115 GLU H H 1 7.838 0.000 . 1 . . . A 115 GLU H . 25397 1 1266 . 1 1 115 115 GLU HA H 1 4.001 0.000 . 1 . . . A 115 GLU HA . 25397 1 1267 . 1 1 115 115 GLU HB2 H 1 2.075 0.000 . 2 . . . A 115 GLU HB2 . 25397 1 1268 . 1 1 115 115 GLU HB3 H 1 2.192 0.000 . 2 . . . A 115 GLU HB3 . 25397 1 1269 . 1 1 115 115 GLU HG2 H 1 2.066 0.000 . 2 . . . A 115 GLU HG2 . 25397 1 1270 . 1 1 115 115 GLU HG3 H 1 2.317 0.000 . 2 . . . A 115 GLU HG3 . 25397 1 1271 . 1 1 115 115 GLU C C 13 178.919 0.000 . 1 . . . A 115 GLU C . 25397 1 1272 . 1 1 115 115 GLU CA C 13 59.762 0.000 . 1 . . . A 115 GLU CA . 25397 1 1273 . 1 1 115 115 GLU CB C 13 29.294 0.000 . 1 . . . A 115 GLU CB . 25397 1 1274 . 1 1 115 115 GLU CG C 13 36.178 0.000 . 1 . . . A 115 GLU CG . 25397 1 1275 . 1 1 115 115 GLU N N 15 121.592 0.000 . 1 . . . A 115 GLU N . 25397 1 1276 . 1 1 116 116 VAL H H 1 8.077 0.000 . 1 . . . A 116 VAL H . 25397 1 1277 . 1 1 116 116 VAL HA H 1 3.375 0.000 . 1 . . . A 116 VAL HA . 25397 1 1278 . 1 1 116 116 VAL HB H 1 1.664 0.000 . 1 . . . A 116 VAL HB . 25397 1 1279 . 1 1 116 116 VAL HG11 H 1 0.473 0.000 . 2 . . . A 116 VAL HG11 . 25397 1 1280 . 1 1 116 116 VAL HG12 H 1 0.473 0.000 . 2 . . . A 116 VAL HG11 . 25397 1 1281 . 1 1 116 116 VAL HG13 H 1 0.473 0.000 . 2 . . . A 116 VAL HG11 . 25397 1 1282 . 1 1 116 116 VAL HG21 H 1 0.654 0.000 . 2 . . . A 116 VAL HG21 . 25397 1 1283 . 1 1 116 116 VAL HG22 H 1 0.654 0.000 . 2 . . . A 116 VAL HG21 . 25397 1 1284 . 1 1 116 116 VAL HG23 H 1 0.654 0.000 . 2 . . . A 116 VAL HG21 . 25397 1 1285 . 1 1 116 116 VAL C C 13 178.031 0.000 . 1 . . . A 116 VAL C . 25397 1 1286 . 1 1 116 116 VAL CA C 13 67.015 0.000 . 1 . . . A 116 VAL CA . 25397 1 1287 . 1 1 116 116 VAL CB C 13 31.622 0.000 . 1 . . . A 116 VAL CB . 25397 1 1288 . 1 1 116 116 VAL CG1 C 13 22.621 0.000 . 2 . . . A 116 VAL CG1 . 25397 1 1289 . 1 1 116 116 VAL CG2 C 13 20.439 0.000 . 2 . . . A 116 VAL CG2 . 25397 1 1290 . 1 1 116 116 VAL N N 15 117.799 0.000 . 1 . . . A 116 VAL N . 25397 1 1291 . 1 1 117 117 MET H H 1 8.220 0.000 . 1 . . . A 117 MET H . 25397 1 1292 . 1 1 117 117 MET HA H 1 4.473 0.000 . 1 . . . A 117 MET HA . 25397 1 1293 . 1 1 117 117 MET HB2 H 1 1.962 0.000 . 2 . . . A 117 MET HB2 . 25397 1 1294 . 1 1 117 117 MET HB3 H 1 2.202 0.000 . 2 . . . A 117 MET HB3 . 25397 1 1295 . 1 1 117 117 MET HG2 H 1 2.633 0.000 . 2 . . . A 117 MET HG2 . 25397 1 1296 . 1 1 117 117 MET HG3 H 1 2.807 0.000 . 2 . . . A 117 MET HG3 . 25397 1 1297 . 1 1 117 117 MET HE1 H 1 1.860 0.000 . 1 . . . A 117 MET HE1 . 25397 1 1298 . 1 1 117 117 MET HE2 H 1 1.860 0.000 . 1 . . . A 117 MET HE1 . 25397 1 1299 . 1 1 117 117 MET HE3 H 1 1.860 0.000 . 1 . . . A 117 MET HE1 . 25397 1 1300 . 1 1 117 117 MET C C 13 179.922 0.000 . 1 . . . A 117 MET C . 25397 1 1301 . 1 1 117 117 MET CA C 13 55.878 0.000 . 1 . . . A 117 MET CA . 25397 1 1302 . 1 1 117 117 MET CB C 13 28.429 0.000 . 1 . . . A 117 MET CB . 25397 1 1303 . 1 1 117 117 MET CG C 13 31.584 0.000 . 1 . . . A 117 MET CG . 25397 1 1304 . 1 1 117 117 MET CE C 13 14.824 0.000 . 1 . . . A 117 MET CE . 25397 1 1305 . 1 1 117 117 MET N N 15 114.677 0.000 . 1 . . . A 117 MET N . 25397 1 1306 . 1 1 118 118 GLN H H 1 8.395 0.000 . 1 . . . A 118 GLN H . 25397 1 1307 . 1 1 118 118 GLN HA H 1 4.094 0.000 . 1 . . . A 118 GLN HA . 25397 1 1308 . 1 1 118 118 GLN HB2 H 1 2.216 0.000 . 2 . . . A 118 GLN HB2 . 25397 1 1309 . 1 1 118 118 GLN HB3 H 1 2.128 0.000 . 2 . . . A 118 GLN HB3 . 25397 1 1310 . 1 1 118 118 GLN HG2 H 1 2.449 0.000 . 2 . . . A 118 GLN HG2 . 25397 1 1311 . 1 1 118 118 GLN HG3 H 1 2.449 0.000 . 2 . . . A 118 GLN HG3 . 25397 1 1312 . 1 1 118 118 GLN HE21 H 1 7.475 0.000 . 2 . . . A 118 GLN HE21 . 25397 1 1313 . 1 1 118 118 GLN HE22 H 1 6.876 0.000 . 2 . . . A 118 GLN HE22 . 25397 1 1314 . 1 1 118 118 GLN C C 13 178.948 0.000 . 1 . . . A 118 GLN C . 25397 1 1315 . 1 1 118 118 GLN CA C 13 58.982 0.000 . 1 . . . A 118 GLN CA . 25397 1 1316 . 1 1 118 118 GLN CB C 13 27.945 0.000 . 1 . . . A 118 GLN CB . 25397 1 1317 . 1 1 118 118 GLN CG C 13 33.623 0.000 . 1 . . . A 118 GLN CG . 25397 1 1318 . 1 1 118 118 GLN N N 15 121.248 0.000 . 1 . . . A 118 GLN N . 25397 1 1319 . 1 1 118 118 GLN NE2 N 15 112.125 0.000 . 1 . . . A 118 GLN NE2 . 25397 1 1320 . 1 1 119 119 LEU H H 1 7.701 0.000 . 1 . . . A 119 LEU H . 25397 1 1321 . 1 1 119 119 LEU HA H 1 4.124 0.000 . 1 . . . A 119 LEU HA . 25397 1 1322 . 1 1 119 119 LEU HB2 H 1 2.017 0.000 . 2 . . . A 119 LEU HB2 . 25397 1 1323 . 1 1 119 119 LEU HB3 H 1 1.280 0.000 . 2 . . . A 119 LEU HB3 . 25397 1 1324 . 1 1 119 119 LEU HG H 1 1.809 0.000 . 1 . . . A 119 LEU HG . 25397 1 1325 . 1 1 119 119 LEU HD11 H 1 0.857 0.000 . 2 . . . A 119 LEU HD11 . 25397 1 1326 . 1 1 119 119 LEU HD12 H 1 0.857 0.000 . 2 . . . A 119 LEU HD11 . 25397 1 1327 . 1 1 119 119 LEU HD13 H 1 0.857 0.000 . 2 . . . A 119 LEU HD11 . 25397 1 1328 . 1 1 119 119 LEU HD21 H 1 0.873 0.000 . 2 . . . A 119 LEU HD21 . 25397 1 1329 . 1 1 119 119 LEU HD22 H 1 0.873 0.000 . 2 . . . A 119 LEU HD21 . 25397 1 1330 . 1 1 119 119 LEU HD23 H 1 0.873 0.000 . 2 . . . A 119 LEU HD21 . 25397 1 1331 . 1 1 119 119 LEU C C 13 178.773 0.000 . 1 . . . A 119 LEU C . 25397 1 1332 . 1 1 119 119 LEU CA C 13 57.841 0.000 . 1 . . . A 119 LEU CA . 25397 1 1333 . 1 1 119 119 LEU CB C 13 42.275 0.000 . 1 . . . A 119 LEU CB . 25397 1 1334 . 1 1 119 119 LEU CG C 13 27.004 0.000 . 1 . . . A 119 LEU CG . 25397 1 1335 . 1 1 119 119 LEU CD1 C 13 25.658 0.000 . 2 . . . A 119 LEU CD1 . 25397 1 1336 . 1 1 119 119 LEU CD2 C 13 23.420 0.000 . 2 . . . A 119 LEU CD2 . 25397 1 1337 . 1 1 119 119 LEU N N 15 120.802 0.000 . 1 . . . A 119 LEU N . 25397 1 1338 . 1 1 120 120 VAL H H 1 8.846 0.000 . 1 . . . A 120 VAL H . 25397 1 1339 . 1 1 120 120 VAL HA H 1 4.482 0.000 . 1 . . . A 120 VAL HA . 25397 1 1340 . 1 1 120 120 VAL HB H 1 2.252 0.000 . 1 . . . A 120 VAL HB . 25397 1 1341 . 1 1 120 120 VAL HG11 H 1 0.739 0.000 . 2 . . . A 120 VAL HG11 . 25397 1 1342 . 1 1 120 120 VAL HG12 H 1 0.739 0.000 . 2 . . . A 120 VAL HG11 . 25397 1 1343 . 1 1 120 120 VAL HG13 H 1 0.739 0.000 . 2 . . . A 120 VAL HG11 . 25397 1 1344 . 1 1 120 120 VAL HG21 H 1 1.158 0.000 . 2 . . . A 120 VAL HG21 . 25397 1 1345 . 1 1 120 120 VAL HG22 H 1 1.158 0.000 . 2 . . . A 120 VAL HG21 . 25397 1 1346 . 1 1 120 120 VAL HG23 H 1 1.158 0.000 . 2 . . . A 120 VAL HG21 . 25397 1 1347 . 1 1 120 120 VAL C C 13 179.257 0.000 . 1 . . . A 120 VAL C . 25397 1 1348 . 1 1 120 120 VAL CA C 13 66.716 0.000 . 1 . . . A 120 VAL CA . 25397 1 1349 . 1 1 120 120 VAL CB C 13 31.492 0.000 . 1 . . . A 120 VAL CB . 25397 1 1350 . 1 1 120 120 VAL CG1 C 13 22.109 0.000 . 2 . . . A 120 VAL CG1 . 25397 1 1351 . 1 1 120 120 VAL CG2 C 13 23.410 0.000 . 2 . . . A 120 VAL CG2 . 25397 1 1352 . 1 1 120 120 VAL N N 15 119.468 0.000 . 1 . . . A 120 VAL N . 25397 1 1353 . 1 1 121 121 LYS H H 1 8.148 0.000 . 1 . . . A 121 LYS H . 25397 1 1354 . 1 1 121 121 LYS HA H 1 3.813 0.000 . 1 . . . A 121 LYS HA . 25397 1 1355 . 1 1 121 121 LYS HB2 H 1 1.912 0.000 . 2 . . . A 121 LYS HB2 . 25397 1 1356 . 1 1 121 121 LYS HB3 H 1 1.993 0.000 . 2 . . . A 121 LYS HB3 . 25397 1 1357 . 1 1 121 121 LYS HG2 H 1 1.419 0.000 . 2 . . . A 121 LYS HG2 . 25397 1 1358 . 1 1 121 121 LYS HG3 H 1 1.571 0.000 . 2 . . . A 121 LYS HG3 . 25397 1 1359 . 1 1 121 121 LYS HD2 H 1 1.689 0.000 . 2 . . . A 121 LYS HD2 . 25397 1 1360 . 1 1 121 121 LYS HD3 H 1 1.689 0.000 . 2 . . . A 121 LYS HD3 . 25397 1 1361 . 1 1 121 121 LYS HE2 H 1 2.926 0.000 . 2 . . . A 121 LYS HE2 . 25397 1 1362 . 1 1 121 121 LYS HE3 H 1 2.926 0.000 . 2 . . . A 121 LYS HE3 . 25397 1 1363 . 1 1 121 121 LYS C C 13 177.867 0.000 . 1 . . . A 121 LYS C . 25397 1 1364 . 1 1 121 121 LYS CA C 13 60.135 0.000 . 1 . . . A 121 LYS CA . 25397 1 1365 . 1 1 121 121 LYS CB C 13 32.303 0.000 . 1 . . . A 121 LYS CB . 25397 1 1366 . 1 1 121 121 LYS CG C 13 25.347 0.000 . 1 . . . A 121 LYS CG . 25397 1 1367 . 1 1 121 121 LYS CD C 13 29.331 0.000 . 1 . . . A 121 LYS CD . 25397 1 1368 . 1 1 121 121 LYS CE C 13 41.919 0.000 . 1 . . . A 121 LYS CE . 25397 1 1369 . 1 1 121 121 LYS N N 15 120.874 0.000 . 1 . . . A 121 LYS N . 25397 1 1370 . 1 1 122 122 MET H H 1 7.940 0.000 . 1 . . . A 122 MET H . 25397 1 1371 . 1 1 122 122 MET HA H 1 4.133 0.000 . 1 . . . A 122 MET HA . 25397 1 1372 . 1 1 122 122 MET HB2 H 1 2.179 0.000 . 2 . . . A 122 MET HB2 . 25397 1 1373 . 1 1 122 122 MET HB3 H 1 2.214 0.000 . 2 . . . A 122 MET HB3 . 25397 1 1374 . 1 1 122 122 MET HG2 H 1 2.545 0.000 . 2 . . . A 122 MET HG2 . 25397 1 1375 . 1 1 122 122 MET HG3 H 1 2.729 0.000 . 2 . . . A 122 MET HG3 . 25397 1 1376 . 1 1 122 122 MET HE1 H 1 2.056 0.000 . 1 . . . A 122 MET HE1 . 25397 1 1377 . 1 1 122 122 MET HE2 H 1 2.056 0.000 . 1 . . . A 122 MET HE1 . 25397 1 1378 . 1 1 122 122 MET HE3 H 1 2.056 0.000 . 1 . . . A 122 MET HE1 . 25397 1 1379 . 1 1 122 122 MET C C 13 178.860 0.000 . 1 . . . A 122 MET C . 25397 1 1380 . 1 1 122 122 MET CA C 13 58.824 0.000 . 1 . . . A 122 MET CA . 25397 1 1381 . 1 1 122 122 MET CB C 13 33.272 0.000 . 1 . . . A 122 MET CB . 25397 1 1382 . 1 1 122 122 MET CG C 13 31.673 0.000 . 1 . . . A 122 MET CG . 25397 1 1383 . 1 1 122 122 MET CE C 13 17.103 0.000 . 1 . . . A 122 MET CE . 25397 1 1384 . 1 1 122 122 MET N N 15 117.604 0.000 . 1 . . . A 122 MET N . 25397 1 1385 . 1 1 123 123 LEU H H 1 8.551 0.000 . 1 . . . A 123 LEU H . 25397 1 1386 . 1 1 123 123 LEU HA H 1 4.226 0.000 . 1 . . . A 123 LEU HA . 25397 1 1387 . 1 1 123 123 LEU HB2 H 1 1.712 0.000 . 2 . . . A 123 LEU HB2 . 25397 1 1388 . 1 1 123 123 LEU HB3 H 1 1.484 0.000 . 2 . . . A 123 LEU HB3 . 25397 1 1389 . 1 1 123 123 LEU HG H 1 1.874 0.000 . 1 . . . A 123 LEU HG . 25397 1 1390 . 1 1 123 123 LEU HD11 H 1 0.753 0.000 . 2 . . . A 123 LEU HD11 . 25397 1 1391 . 1 1 123 123 LEU HD12 H 1 0.753 0.000 . 2 . . . A 123 LEU HD11 . 25397 1 1392 . 1 1 123 123 LEU HD13 H 1 0.753 0.000 . 2 . . . A 123 LEU HD11 . 25397 1 1393 . 1 1 123 123 LEU HD21 H 1 0.860 0.000 . 2 . . . A 123 LEU HD21 . 25397 1 1394 . 1 1 123 123 LEU HD22 H 1 0.860 0.000 . 2 . . . A 123 LEU HD21 . 25397 1 1395 . 1 1 123 123 LEU HD23 H 1 0.860 0.000 . 2 . . . A 123 LEU HD21 . 25397 1 1396 . 1 1 123 123 LEU C C 13 177.958 0.000 . 1 . . . A 123 LEU C . 25397 1 1397 . 1 1 123 123 LEU CA C 13 56.215 0.000 . 1 . . . A 123 LEU CA . 25397 1 1398 . 1 1 123 123 LEU CB C 13 42.084 0.000 . 1 . . . A 123 LEU CB . 25397 1 1399 . 1 1 123 123 LEU CG C 13 26.987 0.000 . 1 . . . A 123 LEU CG . 25397 1 1400 . 1 1 123 123 LEU CD1 C 13 25.096 0.000 . 2 . . . A 123 LEU CD1 . 25397 1 1401 . 1 1 123 123 LEU CD2 C 13 22.090 0.000 . 2 . . . A 123 LEU CD2 . 25397 1 1402 . 1 1 123 123 LEU N N 15 116.677 0.000 . 1 . . . A 123 LEU N . 25397 1 1403 . 1 1 124 124 SER H H 1 7.790 0.000 . 1 . . . A 124 SER H . 25397 1 1404 . 1 1 124 124 SER HA H 1 4.578 0.000 . 1 . . . A 124 SER HA . 25397 1 1405 . 1 1 124 124 SER HB2 H 1 3.985 0.000 . 2 . . . A 124 SER HB2 . 25397 1 1406 . 1 1 124 124 SER HB3 H 1 4.118 0.000 . 2 . . . A 124 SER HB3 . 25397 1 1407 . 1 1 124 124 SER HG H 1 5.705 0.000 . 1 . . . A 124 SER HG . 25397 1 1408 . 1 1 124 124 SER C C 13 173.870 0.000 . 1 . . . A 124 SER C . 25397 1 1409 . 1 1 124 124 SER CA C 13 58.498 0.000 . 1 . . . A 124 SER CA . 25397 1 1410 . 1 1 124 124 SER CB C 13 64.753 0.000 . 1 . . . A 124 SER CB . 25397 1 1411 . 1 1 124 124 SER N N 15 111.671 0.000 . 1 . . . A 124 SER N . 25397 1 1412 . 1 1 125 125 ALA H H 1 7.458 0.000 . 1 . . . A 125 ALA H . 25397 1 1413 . 1 1 125 125 ALA HA H 1 4.177 0.000 . 1 . . . A 125 ALA HA . 25397 1 1414 . 1 1 125 125 ALA HB1 H 1 1.439 0.000 . 1 . . . A 125 ALA HB1 . 25397 1 1415 . 1 1 125 125 ALA HB2 H 1 1.439 0.000 . 1 . . . A 125 ALA HB1 . 25397 1 1416 . 1 1 125 125 ALA HB3 H 1 1.439 0.000 . 1 . . . A 125 ALA HB1 . 25397 1 1417 . 1 1 125 125 ALA C C 13 177.842 0.000 . 1 . . . A 125 ALA C . 25397 1 1418 . 1 1 125 125 ALA CA C 13 53.338 0.000 . 1 . . . A 125 ALA CA . 25397 1 1419 . 1 1 125 125 ALA CB C 13 19.216 0.000 . 1 . . . A 125 ALA CB . 25397 1 1420 . 1 1 125 125 ALA N N 15 125.152 0.000 . 1 . . . A 125 ALA N . 25397 1 1421 . 1 1 126 126 ASP H H 1 8.314 0.000 . 1 . . . A 126 ASP H . 25397 1 1422 . 1 1 126 126 ASP HA H 1 4.537 0.000 . 1 . . . A 126 ASP HA . 25397 1 1423 . 1 1 126 126 ASP HB2 H 1 2.689 0.000 . 2 . . . A 126 ASP HB2 . 25397 1 1424 . 1 1 126 126 ASP HB3 H 1 2.615 0.000 . 2 . . . A 126 ASP HB3 . 25397 1 1425 . 1 1 126 126 ASP C C 13 177.042 0.000 . 1 . . . A 126 ASP C . 25397 1 1426 . 1 1 126 126 ASP CA C 13 54.785 0.000 . 1 . . . A 126 ASP CA . 25397 1 1427 . 1 1 126 126 ASP CB C 13 40.851 0.000 . 1 . . . A 126 ASP CB . 25397 1 1428 . 1 1 126 126 ASP N N 15 119.203 0.000 . 1 . . . A 126 ASP N . 25397 1 1429 . 1 1 127 127 SER H H 1 8.191 0.000 . 1 . . . A 127 SER H . 25397 1 1430 . 1 1 127 127 SER HA H 1 4.353 0.000 . 1 . . . A 127 SER HA . 25397 1 1431 . 1 1 127 127 SER HB2 H 1 3.892 0.000 . 2 . . . A 127 SER HB2 . 25397 1 1432 . 1 1 127 127 SER HB3 H 1 3.892 0.000 . 2 . . . A 127 SER HB3 . 25397 1 1433 . 1 1 127 127 SER C C 13 174.525 0.000 . 1 . . . A 127 SER C . 25397 1 1434 . 1 1 127 127 SER CA C 13 58.981 0.000 . 1 . . . A 127 SER CA . 25397 1 1435 . 1 1 127 127 SER CB C 13 63.460 0.000 . 1 . . . A 127 SER CB . 25397 1 1436 . 1 1 127 127 SER N N 15 116.513 0.000 . 1 . . . A 127 SER N . 25397 1 1437 . 1 1 128 128 ALA H H 1 8.079 0.000 . 1 . . . A 128 ALA H . 25397 1 1438 . 1 1 128 128 ALA HA H 1 4.183 0.000 . 1 . . . A 128 ALA HA . 25397 1 1439 . 1 1 128 128 ALA HB1 H 1 1.299 0.000 . 1 . . . A 128 ALA HB1 . 25397 1 1440 . 1 1 128 128 ALA HB2 H 1 1.299 0.000 . 1 . . . A 128 ALA HB1 . 25397 1 1441 . 1 1 128 128 ALA HB3 H 1 1.299 0.000 . 1 . . . A 128 ALA HB1 . 25397 1 1442 . 1 1 128 128 ALA C C 13 177.522 0.000 . 1 . . . A 128 ALA C . 25397 1 1443 . 1 1 128 128 ALA CA C 13 52.610 0.000 . 1 . . . A 128 ALA CA . 25397 1 1444 . 1 1 128 128 ALA CB C 13 18.807 0.000 . 1 . . . A 128 ALA CB . 25397 1 1445 . 1 1 128 128 ALA N N 15 124.465 0.000 . 1 . . . A 128 ALA N . 25397 1 1446 . 1 1 129 129 ASN H H 1 8.058 0.000 . 1 . . . A 129 ASN H . 25397 1 1447 . 1 1 129 129 ASN HA H 1 4.652 0.000 . 1 . . . A 129 ASN HA . 25397 1 1448 . 1 1 129 129 ASN HB2 H 1 2.777 0.000 . 2 . . . A 129 ASN HB2 . 25397 1 1449 . 1 1 129 129 ASN HB3 H 1 2.692 0.000 . 2 . . . A 129 ASN HB3 . 25397 1 1450 . 1 1 129 129 ASN HD21 H 1 7.613 0.000 . 2 . . . A 129 ASN HD21 . 25397 1 1451 . 1 1 129 129 ASN HD22 H 1 6.887 0.000 . 2 . . . A 129 ASN HD22 . 25397 1 1452 . 1 1 129 129 ASN C C 13 175.005 0.000 . 1 . . . A 129 ASN C . 25397 1 1453 . 1 1 129 129 ASN CA C 13 53.179 0.000 . 1 . . . A 129 ASN CA . 25397 1 1454 . 1 1 129 129 ASN CB C 13 39.141 0.000 . 1 . . . A 129 ASN CB . 25397 1 1455 . 1 1 129 129 ASN N N 15 116.793 0.000 . 1 . . . A 129 ASN N . 25397 1 1456 . 1 1 129 129 ASN ND2 N 15 113.132 0.000 . 1 . . . A 129 ASN ND2 . 25397 1 1457 . 1 1 130 130 GLU H H 1 8.232 0.000 . 1 . . . A 130 GLU H . 25397 1 1458 . 1 1 130 130 GLU HA H 1 4.296 0.000 . 1 . . . A 130 GLU HA . 25397 1 1459 . 1 1 130 130 GLU HB2 H 1 1.928 0.000 . 2 . . . A 130 GLU HB2 . 25397 1 1460 . 1 1 130 130 GLU HB3 H 1 2.034 0.000 . 2 . . . A 130 GLU HB3 . 25397 1 1461 . 1 1 130 130 GLU HG2 H 1 2.206 0.000 . 2 . . . A 130 GLU HG2 . 25397 1 1462 . 1 1 130 130 GLU HG3 H 1 2.260 0.000 . 2 . . . A 130 GLU HG3 . 25397 1 1463 . 1 1 130 130 GLU C C 13 176.285 0.000 . 1 . . . A 130 GLU C . 25397 1 1464 . 1 1 130 130 GLU CA C 13 56.427 0.000 . 1 . . . A 130 GLU CA . 25397 1 1465 . 1 1 130 130 GLU CB C 13 30.288 0.000 . 1 . . . A 130 GLU CB . 25397 1 1466 . 1 1 130 130 GLU CG C 13 36.201 0.000 . 1 . . . A 130 GLU CG . 25397 1 1467 . 1 1 130 130 GLU N N 15 121.148 0.000 . 1 . . . A 130 GLU N . 25397 1 1468 . 1 1 131 131 VAL H H 1 8.207 0.000 . 1 . . . A 131 VAL H . 25397 1 1469 . 1 1 131 131 VAL HA H 1 4.171 0.000 . 1 . . . A 131 VAL HA . 25397 1 1470 . 1 1 131 131 VAL HB H 1 2.085 0.000 . 1 . . . A 131 VAL HB . 25397 1 1471 . 1 1 131 131 VAL HG11 H 1 0.934 0.000 . 2 . . . A 131 VAL HG11 . 25397 1 1472 . 1 1 131 131 VAL HG12 H 1 0.934 0.000 . 2 . . . A 131 VAL HG11 . 25397 1 1473 . 1 1 131 131 VAL HG13 H 1 0.934 0.000 . 2 . . . A 131 VAL HG11 . 25397 1 1474 . 1 1 131 131 VAL HG21 H 1 0.934 0.000 . 2 . . . A 131 VAL HG21 . 25397 1 1475 . 1 1 131 131 VAL HG22 H 1 0.934 0.000 . 2 . . . A 131 VAL HG21 . 25397 1 1476 . 1 1 131 131 VAL HG23 H 1 0.934 0.000 . 2 . . . A 131 VAL HG21 . 25397 1 1477 . 1 1 131 131 VAL C C 13 176.083 0.000 . 1 . . . A 131 VAL C . 25397 1 1478 . 1 1 131 131 VAL CA C 13 62.104 0.000 . 1 . . . A 131 VAL CA . 25397 1 1479 . 1 1 131 131 VAL CB C 13 32.642 0.000 . 1 . . . A 131 VAL CB . 25397 1 1480 . 1 1 131 131 VAL CG1 C 13 21.106 0.000 . 2 . . . A 131 VAL CG1 . 25397 1 1481 . 1 1 131 131 VAL CG2 C 13 20.445 0.000 . 2 . . . A 131 VAL CG2 . 25397 1 1482 . 1 1 131 131 VAL N N 15 121.293 0.000 . 1 . . . A 131 VAL N . 25397 1 1483 . 1 1 132 132 SER H H 1 8.455 0.000 . 1 . . . A 132 SER H . 25397 1 1484 . 1 1 132 132 SER HA H 1 4.562 0.000 . 1 . . . A 132 SER HA . 25397 1 1485 . 1 1 132 132 SER HB2 H 1 3.891 0.000 . 2 . . . A 132 SER HB2 . 25397 1 1486 . 1 1 132 132 SER HB3 H 1 3.891 0.000 . 2 . . . A 132 SER HB3 . 25397 1 1487 . 1 1 132 132 SER C C 13 173.928 0.000 . 1 . . . A 132 SER C . 25397 1 1488 . 1 1 132 132 SER CA C 13 58.219 0.000 . 1 . . . A 132 SER CA . 25397 1 1489 . 1 1 132 132 SER CB C 13 63.122 0.000 . 1 . . . A 132 SER CB . 25397 1 1490 . 1 1 132 132 SER N N 15 120.475 0.000 . 1 . . . A 132 SER N . 25397 1 1491 . 1 1 133 133 THR H H 1 7.874 0.000 . 1 . . . A 133 THR H . 25397 1 1492 . 1 1 133 133 THR HA H 1 4.159 0.000 . 1 . . . A 133 THR HA . 25397 1 1493 . 1 1 133 133 THR HB H 1 4.246 0.000 . 1 . . . A 133 THR HB . 25397 1 1494 . 1 1 133 133 THR HG21 H 1 1.162 0.000 . 1 . . . A 133 THR HG21 . 25397 1 1495 . 1 1 133 133 THR HG22 H 1 1.162 0.000 . 1 . . . A 133 THR HG21 . 25397 1 1496 . 1 1 133 133 THR HG23 H 1 1.162 0.000 . 1 . . . A 133 THR HG21 . 25397 1 1497 . 1 1 133 133 THR C C 13 179.253 0.000 . 1 . . . A 133 THR C . 25397 1 1498 . 1 1 133 133 THR CA C 13 63.068 0.000 . 1 . . . A 133 THR CA . 25397 1 1499 . 1 1 133 133 THR CB C 13 70.533 0.000 . 1 . . . A 133 THR CB . 25397 1 1500 . 1 1 133 133 THR CG2 C 13 21.816 0.000 . 1 . . . A 133 THR CG2 . 25397 1 1501 . 1 1 133 133 THR N N 15 121.180 0.000 . 1 . . . A 133 THR N . 25397 1 stop_ save_