data_11102 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11102 _Entry.Title ; The solution structure of the second thioredoxin domain of human Protein disulfide-isomerase A3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-18 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-17 _Entry.Original_release_date 2011-02-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 11102 2 S. Koshiba . . . 11102 3 M. Inoue . . . 11102 4 T. Kigawa . . . 11102 5 S. Yokoyama . . . 11102 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11102 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11102 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 611 11102 '15N chemical shifts' 132 11102 '1H chemical shifts' 925 11102 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-02-17 2010-02-18 original author . 11102 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DMM 'BMRB Entry Tracking System' 11102 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11102 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The solution structure of the second thioredoxin domain of human Protein disulfide-isomerase A3 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Tochio . . . 11102 1 2 S. Koshiba . . . 11102 1 3 M. Inoue . . . 11102 1 4 T. Kigawa . . . 11102 1 5 S. Yokoyama . . . 11102 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11102 _Assembly.ID 1 _Assembly.Name 'Protein disulfide-isomerase A3' _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 E.C.5.3.4.1 _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 'thioredoxin domain' 1 $entity_1 A . yes native no no . . . 11102 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2dmm . . . . . . 11102 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11102 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'thioredoxin domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGFDGNLKRYLKSEP IPESNDGPVKVVVAENFDEI VNNENKDVLIEFYAPWCGHC KNLEPKYKELGEKLSKDPNI VIAKMDATANDVPSPYEVRG FPTIYFSPANKKLNPKKYEG GRELSDFISYLQREATSGPS SG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DMM . "The Solution Structure Of The Second Thioredoxin Domain Of Human Protein Disulfide-Isomerase A3" . . . . . 100.00 142 100.00 100.00 5.19e-97 . . . . 11102 1 2 no DBJ BAG56782 . "unnamed protein product [Homo sapiens]" . . . . . 92.25 279 98.47 99.24 7.35e-87 . . . . 11102 1 3 no GB ACA57910 . "protein disulfide isomerase-associated 3 precursor (predicted) [Callicebus moloch]" . . . . . 92.96 301 97.73 99.24 1.82e-87 . . . . 11102 1 4 no GB EQB77541 . "protein disulfide isomerase-associated 3 precursor-like protein [Camelus ferus]" . . . . . 78.87 417 98.21 99.11 2.02e-71 . . . . 11102 1 5 no REF XP_004056140 . "PREDICTED: protein disulfide-isomerase A3 [Gorilla gorilla gorilla]" . . . . . 92.96 279 98.48 99.24 1.42e-87 . . . . 11102 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'thioredoxin domain' . 11102 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 . 11102 1 2 . SER . 11102 1 3 . SER . 11102 1 4 . GLY . 11102 1 5 . SER . 11102 1 6 . SER . 11102 1 7 . GLY . 11102 1 8 . PHE . 11102 1 9 . ASP . 11102 1 10 . GLY . 11102 1 11 . ASN . 11102 1 12 . LEU . 11102 1 13 . LYS . 11102 1 14 . ARG . 11102 1 15 . TYR . 11102 1 16 . LEU . 11102 1 17 . LYS . 11102 1 18 . SER . 11102 1 19 . GLU . 11102 1 20 . PRO . 11102 1 21 . ILE . 11102 1 22 . PRO . 11102 1 23 . GLU . 11102 1 24 . SER . 11102 1 25 . ASN . 11102 1 26 . ASP . 11102 1 27 . GLY . 11102 1 28 . PRO . 11102 1 29 . VAL . 11102 1 30 . LYS . 11102 1 31 . VAL . 11102 1 32 . VAL . 11102 1 33 . VAL . 11102 1 34 . ALA . 11102 1 35 . GLU . 11102 1 36 . ASN . 11102 1 37 . PHE . 11102 1 38 . ASP . 11102 1 39 . GLU . 11102 1 40 . ILE . 11102 1 41 . VAL . 11102 1 42 . ASN . 11102 1 43 . ASN . 11102 1 44 . GLU . 11102 1 45 . ASN . 11102 1 46 . LYS . 11102 1 47 . ASP . 11102 1 48 . VAL . 11102 1 49 . LEU . 11102 1 50 . ILE . 11102 1 51 . GLU . 11102 1 52 . PHE . 11102 1 53 . TYR . 11102 1 54 . ALA . 11102 1 55 . PRO . 11102 1 56 . TRP . 11102 1 57 . CYS . 11102 1 58 . GLY . 11102 1 59 . HIS . 11102 1 60 . CYS . 11102 1 61 . LYS . 11102 1 62 . ASN . 11102 1 63 . LEU . 11102 1 64 . GLU . 11102 1 65 . PRO . 11102 1 66 . LYS . 11102 1 67 . TYR . 11102 1 68 . LYS . 11102 1 69 . GLU . 11102 1 70 . LEU . 11102 1 71 . GLY . 11102 1 72 . GLU . 11102 1 73 . LYS . 11102 1 74 . LEU . 11102 1 75 . SER . 11102 1 76 . LYS . 11102 1 77 . ASP . 11102 1 78 . PRO . 11102 1 79 . ASN . 11102 1 80 . ILE . 11102 1 81 . VAL . 11102 1 82 . ILE . 11102 1 83 . ALA . 11102 1 84 . LYS . 11102 1 85 . MET . 11102 1 86 . ASP . 11102 1 87 . ALA . 11102 1 88 . THR . 11102 1 89 . ALA . 11102 1 90 . ASN . 11102 1 91 . ASP . 11102 1 92 . VAL . 11102 1 93 . PRO . 11102 1 94 . SER . 11102 1 95 . PRO . 11102 1 96 . TYR . 11102 1 97 . GLU . 11102 1 98 . VAL . 11102 1 99 . ARG . 11102 1 100 . GLY . 11102 1 101 . PHE . 11102 1 102 . PRO . 11102 1 103 . THR . 11102 1 104 . ILE . 11102 1 105 . TYR . 11102 1 106 . PHE . 11102 1 107 . SER . 11102 1 108 . PRO . 11102 1 109 . ALA . 11102 1 110 . ASN . 11102 1 111 . LYS . 11102 1 112 . LYS . 11102 1 113 . LEU . 11102 1 114 . ASN . 11102 1 115 . PRO . 11102 1 116 . LYS . 11102 1 117 . LYS . 11102 1 118 . TYR . 11102 1 119 . GLU . 11102 1 120 . GLY . 11102 1 121 . GLY . 11102 1 122 . ARG . 11102 1 123 . GLU . 11102 1 124 . LEU . 11102 1 125 . SER . 11102 1 126 . ASP . 11102 1 127 . PHE . 11102 1 128 . ILE . 11102 1 129 . SER . 11102 1 130 . TYR . 11102 1 131 . LEU . 11102 1 132 . GLN . 11102 1 133 . ARG . 11102 1 134 . GLU . 11102 1 135 . ALA . 11102 1 136 . THR . 11102 1 137 . SER . 11102 1 138 . GLY . 11102 1 139 . PRO . 11102 1 140 . SER . 11102 1 141 . SER . 11102 1 142 . GLY . 11102 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 11102 1 . SER 2 2 11102 1 . SER 3 3 11102 1 . GLY 4 4 11102 1 . SER 5 5 11102 1 . SER 6 6 11102 1 . GLY 7 7 11102 1 . PHE 8 8 11102 1 . ASP 9 9 11102 1 . GLY 10 10 11102 1 . ASN 11 11 11102 1 . LEU 12 12 11102 1 . LYS 13 13 11102 1 . ARG 14 14 11102 1 . TYR 15 15 11102 1 . LEU 16 16 11102 1 . LYS 17 17 11102 1 . SER 18 18 11102 1 . GLU 19 19 11102 1 . PRO 20 20 11102 1 . ILE 21 21 11102 1 . PRO 22 22 11102 1 . GLU 23 23 11102 1 . SER 24 24 11102 1 . ASN 25 25 11102 1 . ASP 26 26 11102 1 . GLY 27 27 11102 1 . PRO 28 28 11102 1 . VAL 29 29 11102 1 . LYS 30 30 11102 1 . VAL 31 31 11102 1 . VAL 32 32 11102 1 . VAL 33 33 11102 1 . ALA 34 34 11102 1 . GLU 35 35 11102 1 . ASN 36 36 11102 1 . PHE 37 37 11102 1 . ASP 38 38 11102 1 . GLU 39 39 11102 1 . ILE 40 40 11102 1 . VAL 41 41 11102 1 . ASN 42 42 11102 1 . ASN 43 43 11102 1 . GLU 44 44 11102 1 . ASN 45 45 11102 1 . LYS 46 46 11102 1 . ASP 47 47 11102 1 . VAL 48 48 11102 1 . LEU 49 49 11102 1 . ILE 50 50 11102 1 . GLU 51 51 11102 1 . PHE 52 52 11102 1 . TYR 53 53 11102 1 . ALA 54 54 11102 1 . PRO 55 55 11102 1 . TRP 56 56 11102 1 . CYS 57 57 11102 1 . GLY 58 58 11102 1 . HIS 59 59 11102 1 . CYS 60 60 11102 1 . LYS 61 61 11102 1 . ASN 62 62 11102 1 . LEU 63 63 11102 1 . GLU 64 64 11102 1 . PRO 65 65 11102 1 . LYS 66 66 11102 1 . TYR 67 67 11102 1 . LYS 68 68 11102 1 . GLU 69 69 11102 1 . LEU 70 70 11102 1 . GLY 71 71 11102 1 . GLU 72 72 11102 1 . LYS 73 73 11102 1 . LEU 74 74 11102 1 . SER 75 75 11102 1 . LYS 76 76 11102 1 . ASP 77 77 11102 1 . PRO 78 78 11102 1 . ASN 79 79 11102 1 . ILE 80 80 11102 1 . VAL 81 81 11102 1 . ILE 82 82 11102 1 . ALA 83 83 11102 1 . LYS 84 84 11102 1 . MET 85 85 11102 1 . ASP 86 86 11102 1 . ALA 87 87 11102 1 . THR 88 88 11102 1 . ALA 89 89 11102 1 . ASN 90 90 11102 1 . ASP 91 91 11102 1 . VAL 92 92 11102 1 . PRO 93 93 11102 1 . SER 94 94 11102 1 . PRO 95 95 11102 1 . TYR 96 96 11102 1 . GLU 97 97 11102 1 . VAL 98 98 11102 1 . ARG 99 99 11102 1 . GLY 100 100 11102 1 . PHE 101 101 11102 1 . PRO 102 102 11102 1 . THR 103 103 11102 1 . ILE 104 104 11102 1 . TYR 105 105 11102 1 . PHE 106 106 11102 1 . SER 107 107 11102 1 . PRO 108 108 11102 1 . ALA 109 109 11102 1 . ASN 110 110 11102 1 . LYS 111 111 11102 1 . LYS 112 112 11102 1 . LEU 113 113 11102 1 . ASN 114 114 11102 1 . PRO 115 115 11102 1 . LYS 116 116 11102 1 . LYS 117 117 11102 1 . TYR 118 118 11102 1 . GLU 119 119 11102 1 . GLY 120 120 11102 1 . GLY 121 121 11102 1 . ARG 122 122 11102 1 . GLU 123 123 11102 1 . LEU 124 124 11102 1 . SER 125 125 11102 1 . ASP 126 126 11102 1 . PHE 127 127 11102 1 . ILE 128 128 11102 1 . SER 129 129 11102 1 . TYR 130 130 11102 1 . LEU 131 131 11102 1 . GLN 132 132 11102 1 . ARG 133 133 11102 1 . GLU 134 134 11102 1 . ALA 135 135 11102 1 . THR 136 136 11102 1 . SER 137 137 11102 1 . GLY 138 138 11102 1 . PRO 139 139 11102 1 . SER 140 140 11102 1 . SER 141 141 11102 1 . GLY 142 142 11102 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 11102 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11102 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 11102 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P050627-10 . . . . . . 11102 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11102 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.3mM thioredoxin domain [U-15N,13C], 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'thioredoxin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.3 . . mM . . . . 11102 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11102 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11102 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11102 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11102 1 6 H2O . . . . . . solvent 90 . . % . . . . 11102 1 7 D2O . . . . . . solvent 10 . . % . . . . 11102 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11102 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11102 1 pH 7.0 0.05 pH 11102 1 pressure 1 0.001 atm 11102 1 temperature 296 0.1 K 11102 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11102 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11102 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11102 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11102 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11102 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11102 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11102 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11102 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11102 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11102 _Software.ID 4 _Software.Name Kujira _Software.Version 0.955 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11102 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11102 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11102 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11102 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11102 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11102 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11102 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 . . . 11102 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 11102 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11102 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11102 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11102 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11102 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11102 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11102 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11102 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11102 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11102 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11102 1 2 $NMRPipe . . 11102 1 3 $NMRVIEW . . 11102 1 4 $KUJIRA . . 11102 1 5 $CYANA . . 11102 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 6 6 SER HA H 1 4.477 0.030 . 1 . . . . 6 SER HA . 11102 1 2 . 1 1 6 6 SER HB2 H 1 3.888 0.030 . 2 . . . . 6 SER HB2 . 11102 1 3 . 1 1 6 6 SER C C 13 174.936 0.300 . 1 . . . . 6 SER C . 11102 1 4 . 1 1 6 6 SER CA C 13 58.667 0.300 . 1 . . . . 6 SER CA . 11102 1 5 . 1 1 6 6 SER CB C 13 63.834 0.300 . 1 . . . . 6 SER CB . 11102 1 6 . 1 1 7 7 GLY H H 1 8.368 0.030 . 1 . . . . 7 GLY H . 11102 1 7 . 1 1 7 7 GLY HA2 H 1 3.920 0.030 . 2 . . . . 7 GLY HA2 . 11102 1 8 . 1 1 7 7 GLY C C 13 173.923 0.300 . 1 . . . . 7 GLY C . 11102 1 9 . 1 1 7 7 GLY CA C 13 45.259 0.300 . 1 . . . . 7 GLY CA . 11102 1 10 . 1 1 7 7 GLY N N 15 110.364 0.300 . 1 . . . . 7 GLY N . 11102 1 11 . 1 1 8 8 PHE H H 1 8.162 0.030 . 1 . . . . 8 PHE H . 11102 1 12 . 1 1 8 8 PHE HA H 1 4.619 0.030 . 1 . . . . 8 PHE HA . 11102 1 13 . 1 1 8 8 PHE HB2 H 1 3.099 0.030 . 2 . . . . 8 PHE HB2 . 11102 1 14 . 1 1 8 8 PHE HB3 H 1 3.001 0.030 . 2 . . . . 8 PHE HB3 . 11102 1 15 . 1 1 8 8 PHE HD1 H 1 7.213 0.030 . 1 . . . . 8 PHE HD1 . 11102 1 16 . 1 1 8 8 PHE HD2 H 1 7.213 0.030 . 1 . . . . 8 PHE HD2 . 11102 1 17 . 1 1 8 8 PHE C C 13 175.578 0.300 . 1 . . . . 8 PHE C . 11102 1 18 . 1 1 8 8 PHE CA C 13 57.826 0.300 . 1 . . . . 8 PHE CA . 11102 1 19 . 1 1 8 8 PHE CB C 13 39.682 0.300 . 1 . . . . 8 PHE CB . 11102 1 20 . 1 1 8 8 PHE CD1 C 13 131.863 0.300 . 1 . . . . 8 PHE CD1 . 11102 1 21 . 1 1 8 8 PHE CD2 C 13 131.863 0.300 . 1 . . . . 8 PHE CD2 . 11102 1 22 . 1 1 8 8 PHE N N 15 120.279 0.300 . 1 . . . . 8 PHE N . 11102 1 23 . 1 1 9 9 ASP H H 1 8.289 0.030 . 1 . . . . 9 ASP H . 11102 1 24 . 1 1 9 9 ASP HA H 1 4.531 0.030 . 1 . . . . 9 ASP HA . 11102 1 25 . 1 1 9 9 ASP HB2 H 1 2.626 0.030 . 2 . . . . 9 ASP HB2 . 11102 1 26 . 1 1 9 9 ASP C C 13 176.654 0.300 . 1 . . . . 9 ASP C . 11102 1 27 . 1 1 9 9 ASP CA C 13 54.074 0.300 . 1 . . . . 9 ASP CA . 11102 1 28 . 1 1 9 9 ASP CB C 13 41.189 0.300 . 1 . . . . 9 ASP CB . 11102 1 29 . 1 1 9 9 ASP N N 15 122.773 0.300 . 1 . . . . 9 ASP N . 11102 1 30 . 1 1 10 10 GLY H H 1 7.890 0.030 . 1 . . . . 10 GLY H . 11102 1 31 . 1 1 10 10 GLY HA2 H 1 3.841 0.030 . 1 . . . . 10 GLY HA2 . 11102 1 32 . 1 1 10 10 GLY HA3 H 1 3.841 0.030 . 1 . . . . 10 GLY HA3 . 11102 1 33 . 1 1 10 10 GLY C C 13 174.211 0.300 . 1 . . . . 10 GLY C . 11102 1 34 . 1 1 10 10 GLY CA C 13 45.758 0.300 . 1 . . . . 10 GLY CA . 11102 1 35 . 1 1 10 10 GLY N N 15 109.097 0.300 . 1 . . . . 10 GLY N . 11102 1 36 . 1 1 11 11 ASN H H 1 8.299 0.030 . 1 . . . . 11 ASN H . 11102 1 37 . 1 1 11 11 ASN HA H 1 4.671 0.030 . 1 . . . . 11 ASN HA . 11102 1 38 . 1 1 11 11 ASN HB2 H 1 2.814 0.030 . 2 . . . . 11 ASN HB2 . 11102 1 39 . 1 1 11 11 ASN HB3 H 1 2.741 0.030 . 2 . . . . 11 ASN HB3 . 11102 1 40 . 1 1 11 11 ASN HD21 H 1 7.637 0.030 . 2 . . . . 11 ASN HD21 . 11102 1 41 . 1 1 11 11 ASN HD22 H 1 6.921 0.030 . 2 . . . . 11 ASN HD22 . 11102 1 42 . 1 1 11 11 ASN C C 13 175.249 0.300 . 1 . . . . 11 ASN C . 11102 1 43 . 1 1 11 11 ASN CA C 13 53.429 0.300 . 1 . . . . 11 ASN CA . 11102 1 44 . 1 1 11 11 ASN CB C 13 38.807 0.300 . 1 . . . . 11 ASN CB . 11102 1 45 . 1 1 11 11 ASN N N 15 118.554 0.300 . 1 . . . . 11 ASN N . 11102 1 46 . 1 1 11 11 ASN ND2 N 15 113.192 0.300 . 1 . . . . 11 ASN ND2 . 11102 1 47 . 1 1 12 12 LEU H H 1 8.060 0.030 . 1 . . . . 12 LEU H . 11102 1 48 . 1 1 12 12 LEU HA H 1 4.267 0.030 . 1 . . . . 12 LEU HA . 11102 1 49 . 1 1 12 12 LEU HB2 H 1 1.616 0.030 . 2 . . . . 12 LEU HB2 . 11102 1 50 . 1 1 12 12 LEU HB3 H 1 1.551 0.030 . 2 . . . . 12 LEU HB3 . 11102 1 51 . 1 1 12 12 LEU HD11 H 1 0.879 0.030 . 1 . . . . 12 LEU HD1 . 11102 1 52 . 1 1 12 12 LEU HD12 H 1 0.879 0.030 . 1 . . . . 12 LEU HD1 . 11102 1 53 . 1 1 12 12 LEU HD13 H 1 0.879 0.030 . 1 . . . . 12 LEU HD1 . 11102 1 54 . 1 1 12 12 LEU HD21 H 1 0.846 0.030 . 1 . . . . 12 LEU HD2 . 11102 1 55 . 1 1 12 12 LEU HD22 H 1 0.846 0.030 . 1 . . . . 12 LEU HD2 . 11102 1 56 . 1 1 12 12 LEU HD23 H 1 0.846 0.030 . 1 . . . . 12 LEU HD2 . 11102 1 57 . 1 1 12 12 LEU HG H 1 1.568 0.030 . 1 . . . . 12 LEU HG . 11102 1 58 . 1 1 12 12 LEU C C 13 177.159 0.300 . 1 . . . . 12 LEU C . 11102 1 59 . 1 1 12 12 LEU CA C 13 55.375 0.300 . 1 . . . . 12 LEU CA . 11102 1 60 . 1 1 12 12 LEU CB C 13 42.306 0.300 . 1 . . . . 12 LEU CB . 11102 1 61 . 1 1 12 12 LEU CD1 C 13 24.928 0.300 . 2 . . . . 12 LEU CD1 . 11102 1 62 . 1 1 12 12 LEU CD2 C 13 23.507 0.300 . 2 . . . . 12 LEU CD2 . 11102 1 63 . 1 1 12 12 LEU CG C 13 26.934 0.300 . 1 . . . . 12 LEU CG . 11102 1 64 . 1 1 12 12 LEU N N 15 122.063 0.300 . 1 . . . . 12 LEU N . 11102 1 65 . 1 1 13 13 LYS H H 1 8.205 0.030 . 1 . . . . 13 LYS H . 11102 1 66 . 1 1 13 13 LYS HA H 1 4.199 0.030 . 1 . . . . 13 LYS HA . 11102 1 67 . 1 1 13 13 LYS HB2 H 1 1.659 0.030 . 1 . . . . 13 LYS HB2 . 11102 1 68 . 1 1 13 13 LYS HB3 H 1 1.659 0.030 . 1 . . . . 13 LYS HB3 . 11102 1 69 . 1 1 13 13 LYS HD2 H 1 1.627 0.030 . 1 . . . . 13 LYS HD2 . 11102 1 70 . 1 1 13 13 LYS HD3 H 1 1.627 0.030 . 1 . . . . 13 LYS HD3 . 11102 1 71 . 1 1 13 13 LYS HE2 H 1 2.942 0.030 . 2 . . . . 13 LYS HE2 . 11102 1 72 . 1 1 13 13 LYS HG2 H 1 1.336 0.030 . 2 . . . . 13 LYS HG2 . 11102 1 73 . 1 1 13 13 LYS HG3 H 1 1.282 0.030 . 2 . . . . 13 LYS HG3 . 11102 1 74 . 1 1 13 13 LYS C C 13 176.098 0.300 . 1 . . . . 13 LYS C . 11102 1 75 . 1 1 13 13 LYS CA C 13 55.961 0.300 . 1 . . . . 13 LYS CA . 11102 1 76 . 1 1 13 13 LYS CB C 13 32.689 0.300 . 1 . . . . 13 LYS CB . 11102 1 77 . 1 1 13 13 LYS CD C 13 29.026 0.300 . 1 . . . . 13 LYS CD . 11102 1 78 . 1 1 13 13 LYS CE C 13 42.115 0.300 . 1 . . . . 13 LYS CE . 11102 1 79 . 1 1 13 13 LYS CG C 13 24.772 0.300 . 1 . . . . 13 LYS CG . 11102 1 80 . 1 1 13 13 LYS N N 15 122.097 0.300 . 1 . . . . 13 LYS N . 11102 1 81 . 1 1 14 14 ARG H H 1 8.206 0.030 . 1 . . . . 14 ARG H . 11102 1 82 . 1 1 14 14 ARG HA H 1 4.195 0.030 . 1 . . . . 14 ARG HA . 11102 1 83 . 1 1 14 14 ARG HB2 H 1 1.658 0.030 . 2 . . . . 14 ARG HB2 . 11102 1 84 . 1 1 14 14 ARG HB3 H 1 1.596 0.030 . 2 . . . . 14 ARG HB3 . 11102 1 85 . 1 1 14 14 ARG HD2 H 1 3.093 0.030 . 1 . . . . 14 ARG HD2 . 11102 1 86 . 1 1 14 14 ARG HD3 H 1 3.093 0.030 . 1 . . . . 14 ARG HD3 . 11102 1 87 . 1 1 14 14 ARG HG2 H 1 1.460 0.030 . 2 . . . . 14 ARG HG2 . 11102 1 88 . 1 1 14 14 ARG HG3 H 1 1.404 0.030 . 2 . . . . 14 ARG HG3 . 11102 1 89 . 1 1 14 14 ARG C C 13 175.425 0.300 . 1 . . . . 14 ARG C . 11102 1 90 . 1 1 14 14 ARG CA C 13 55.960 0.300 . 1 . . . . 14 ARG CA . 11102 1 91 . 1 1 14 14 ARG CB C 13 31.008 0.300 . 1 . . . . 14 ARG CB . 11102 1 92 . 1 1 14 14 ARG CD C 13 43.328 0.300 . 1 . . . . 14 ARG CD . 11102 1 93 . 1 1 14 14 ARG CG C 13 27.034 0.300 . 1 . . . . 14 ARG CG . 11102 1 94 . 1 1 14 14 ARG N N 15 122.149 0.300 . 1 . . . . 14 ARG N . 11102 1 95 . 1 1 15 15 TYR H H 1 7.897 0.030 . 1 . . . . 15 TYR H . 11102 1 96 . 1 1 15 15 TYR HA H 1 4.580 0.030 . 1 . . . . 15 TYR HA . 11102 1 97 . 1 1 15 15 TYR HB2 H 1 2.992 0.030 . 2 . . . . 15 TYR HB2 . 11102 1 98 . 1 1 15 15 TYR HB3 H 1 2.758 0.030 . 2 . . . . 15 TYR HB3 . 11102 1 99 . 1 1 15 15 TYR HD1 H 1 7.004 0.030 . 1 . . . . 15 TYR HD1 . 11102 1 100 . 1 1 15 15 TYR HD2 H 1 7.004 0.030 . 1 . . . . 15 TYR HD2 . 11102 1 101 . 1 1 15 15 TYR HE1 H 1 6.759 0.030 . 1 . . . . 15 TYR HE1 . 11102 1 102 . 1 1 15 15 TYR HE2 H 1 6.759 0.030 . 1 . . . . 15 TYR HE2 . 11102 1 103 . 1 1 15 15 TYR C C 13 174.990 0.300 . 1 . . . . 15 TYR C . 11102 1 104 . 1 1 15 15 TYR CA C 13 56.954 0.300 . 1 . . . . 15 TYR CA . 11102 1 105 . 1 1 15 15 TYR CB C 13 39.193 0.300 . 1 . . . . 15 TYR CB . 11102 1 106 . 1 1 15 15 TYR CD1 C 13 133.336 0.300 . 1 . . . . 15 TYR CD1 . 11102 1 107 . 1 1 15 15 TYR CD2 C 13 133.336 0.300 . 1 . . . . 15 TYR CD2 . 11102 1 108 . 1 1 15 15 TYR CE1 C 13 118.018 0.300 . 1 . . . . 15 TYR CE1 . 11102 1 109 . 1 1 15 15 TYR CE2 C 13 118.018 0.300 . 1 . . . . 15 TYR CE2 . 11102 1 110 . 1 1 15 15 TYR N N 15 119.988 0.300 . 1 . . . . 15 TYR N . 11102 1 111 . 1 1 16 16 LEU H H 1 8.752 0.030 . 1 . . . . 16 LEU H . 11102 1 112 . 1 1 16 16 LEU HA H 1 4.260 0.030 . 1 . . . . 16 LEU HA . 11102 1 113 . 1 1 16 16 LEU HB2 H 1 1.668 0.030 . 2 . . . . 16 LEU HB2 . 11102 1 114 . 1 1 16 16 LEU HB3 H 1 1.552 0.030 . 2 . . . . 16 LEU HB3 . 11102 1 115 . 1 1 16 16 LEU HD11 H 1 0.801 0.030 . 1 . . . . 16 LEU HD1 . 11102 1 116 . 1 1 16 16 LEU HD12 H 1 0.801 0.030 . 1 . . . . 16 LEU HD1 . 11102 1 117 . 1 1 16 16 LEU HD13 H 1 0.801 0.030 . 1 . . . . 16 LEU HD1 . 11102 1 118 . 1 1 16 16 LEU HD21 H 1 0.881 0.030 . 1 . . . . 16 LEU HD2 . 11102 1 119 . 1 1 16 16 LEU HD22 H 1 0.881 0.030 . 1 . . . . 16 LEU HD2 . 11102 1 120 . 1 1 16 16 LEU HD23 H 1 0.881 0.030 . 1 . . . . 16 LEU HD2 . 11102 1 121 . 1 1 16 16 LEU HG H 1 1.488 0.030 . 1 . . . . 16 LEU HG . 11102 1 122 . 1 1 16 16 LEU C C 13 176.852 0.300 . 1 . . . . 16 LEU C . 11102 1 123 . 1 1 16 16 LEU CA C 13 55.654 0.300 . 1 . . . . 16 LEU CA . 11102 1 124 . 1 1 16 16 LEU CB C 13 42.831 0.300 . 1 . . . . 16 LEU CB . 11102 1 125 . 1 1 16 16 LEU CD1 C 13 24.052 0.300 . 2 . . . . 16 LEU CD1 . 11102 1 126 . 1 1 16 16 LEU CD2 C 13 24.786 0.300 . 2 . . . . 16 LEU CD2 . 11102 1 127 . 1 1 16 16 LEU CG C 13 27.131 0.300 . 1 . . . . 16 LEU CG . 11102 1 128 . 1 1 16 16 LEU N N 15 124.920 0.300 . 1 . . . . 16 LEU N . 11102 1 129 . 1 1 17 17 LYS H H 1 8.541 0.030 . 1 . . . . 17 LYS H . 11102 1 130 . 1 1 17 17 LYS HA H 1 4.351 0.030 . 1 . . . . 17 LYS HA . 11102 1 131 . 1 1 17 17 LYS HB2 H 1 1.598 0.030 . 2 . . . . 17 LYS HB2 . 11102 1 132 . 1 1 17 17 LYS HB3 H 1 1.553 0.030 . 2 . . . . 17 LYS HB3 . 11102 1 133 . 1 1 17 17 LYS HD2 H 1 1.544 0.030 . 1 . . . . 17 LYS HD2 . 11102 1 134 . 1 1 17 17 LYS HD3 H 1 1.544 0.030 . 1 . . . . 17 LYS HD3 . 11102 1 135 . 1 1 17 17 LYS HE2 H 1 2.808 0.030 . 2 . . . . 17 LYS HE2 . 11102 1 136 . 1 1 17 17 LYS HE3 H 1 2.729 0.030 . 2 . . . . 17 LYS HE3 . 11102 1 137 . 1 1 17 17 LYS HG2 H 1 1.318 0.030 . 2 . . . . 17 LYS HG2 . 11102 1 138 . 1 1 17 17 LYS HG3 H 1 1.125 0.030 . 2 . . . . 17 LYS HG3 . 11102 1 139 . 1 1 17 17 LYS C C 13 174.887 0.300 . 1 . . . . 17 LYS C . 11102 1 140 . 1 1 17 17 LYS CA C 13 55.856 0.300 . 1 . . . . 17 LYS CA . 11102 1 141 . 1 1 17 17 LYS CB C 13 33.210 0.300 . 1 . . . . 17 LYS CB . 11102 1 142 . 1 1 17 17 LYS CD C 13 29.403 0.300 . 1 . . . . 17 LYS CD . 11102 1 143 . 1 1 17 17 LYS CE C 13 42.006 0.300 . 1 . . . . 17 LYS CE . 11102 1 144 . 1 1 17 17 LYS CG C 13 24.351 0.300 . 1 . . . . 17 LYS CG . 11102 1 145 . 1 1 17 17 LYS N N 15 124.604 0.300 . 1 . . . . 17 LYS N . 11102 1 146 . 1 1 18 18 SER H H 1 8.191 0.030 . 1 . . . . 18 SER H . 11102 1 147 . 1 1 18 18 SER HA H 1 5.182 0.030 . 1 . . . . 18 SER HA . 11102 1 148 . 1 1 18 18 SER HB2 H 1 3.623 0.030 . 2 . . . . 18 SER HB2 . 11102 1 149 . 1 1 18 18 SER HB3 H 1 3.500 0.030 . 2 . . . . 18 SER HB3 . 11102 1 150 . 1 1 18 18 SER C C 13 175.381 0.300 . 1 . . . . 18 SER C . 11102 1 151 . 1 1 18 18 SER CA C 13 56.921 0.300 . 1 . . . . 18 SER CA . 11102 1 152 . 1 1 18 18 SER CB C 13 65.900 0.300 . 1 . . . . 18 SER CB . 11102 1 153 . 1 1 18 18 SER N N 15 117.829 0.300 . 1 . . . . 18 SER N . 11102 1 154 . 1 1 19 19 GLU H H 1 8.402 0.030 . 1 . . . . 19 GLU H . 11102 1 155 . 1 1 19 19 GLU HA H 1 4.628 0.030 . 1 . . . . 19 GLU HA . 11102 1 156 . 1 1 19 19 GLU HB2 H 1 2.064 0.030 . 2 . . . . 19 GLU HB2 . 11102 1 157 . 1 1 19 19 GLU HB3 H 1 2.205 0.030 . 2 . . . . 19 GLU HB3 . 11102 1 158 . 1 1 19 19 GLU HG2 H 1 2.373 0.030 . 2 . . . . 19 GLU HG2 . 11102 1 159 . 1 1 19 19 GLU HG3 H 1 2.241 0.030 . 2 . . . . 19 GLU HG3 . 11102 1 160 . 1 1 19 19 GLU C C 13 174.415 0.300 . 1 . . . . 19 GLU C . 11102 1 161 . 1 1 19 19 GLU CA C 13 55.997 0.300 . 1 . . . . 19 GLU CA . 11102 1 162 . 1 1 19 19 GLU CB C 13 31.236 0.300 . 1 . . . . 19 GLU CB . 11102 1 163 . 1 1 19 19 GLU CG C 13 38.680 0.300 . 1 . . . . 19 GLU CG . 11102 1 164 . 1 1 19 19 GLU N N 15 128.344 0.300 . 1 . . . . 19 GLU N . 11102 1 165 . 1 1 20 20 PRO HA H 1 4.489 0.030 . 1 . . . . 20 PRO HA . 11102 1 166 . 1 1 20 20 PRO HB2 H 1 2.286 0.030 . 2 . . . . 20 PRO HB2 . 11102 1 167 . 1 1 20 20 PRO HB3 H 1 1.727 0.030 . 2 . . . . 20 PRO HB3 . 11102 1 168 . 1 1 20 20 PRO HD2 H 1 3.837 0.030 . 2 . . . . 20 PRO HD2 . 11102 1 169 . 1 1 20 20 PRO HD3 H 1 3.629 0.030 . 2 . . . . 20 PRO HD3 . 11102 1 170 . 1 1 20 20 PRO HG2 H 1 2.003 0.030 . 2 . . . . 20 PRO HG2 . 11102 1 171 . 1 1 20 20 PRO C C 13 176.118 0.300 . 1 . . . . 20 PRO C . 11102 1 172 . 1 1 20 20 PRO CA C 13 62.428 0.300 . 1 . . . . 20 PRO CA . 11102 1 173 . 1 1 20 20 PRO CB C 13 31.825 0.300 . 1 . . . . 20 PRO CB . 11102 1 174 . 1 1 20 20 PRO CD C 13 50.365 0.300 . 1 . . . . 20 PRO CD . 11102 1 175 . 1 1 20 20 PRO CG C 13 27.507 0.300 . 1 . . . . 20 PRO CG . 11102 1 176 . 1 1 21 21 ILE H H 1 8.465 0.030 . 1 . . . . 21 ILE H . 11102 1 177 . 1 1 21 21 ILE HA H 1 3.856 0.030 . 1 . . . . 21 ILE HA . 11102 1 178 . 1 1 21 21 ILE HB H 1 1.689 0.030 . 1 . . . . 21 ILE HB . 11102 1 179 . 1 1 21 21 ILE HD11 H 1 0.823 0.030 . 1 . . . . 21 ILE HD1 . 11102 1 180 . 1 1 21 21 ILE HD12 H 1 0.823 0.030 . 1 . . . . 21 ILE HD1 . 11102 1 181 . 1 1 21 21 ILE HD13 H 1 0.823 0.030 . 1 . . . . 21 ILE HD1 . 11102 1 182 . 1 1 21 21 ILE HG12 H 1 1.653 0.030 . 2 . . . . 21 ILE HG12 . 11102 1 183 . 1 1 21 21 ILE HG13 H 1 0.834 0.030 . 2 . . . . 21 ILE HG13 . 11102 1 184 . 1 1 21 21 ILE HG21 H 1 0.935 0.030 . 1 . . . . 21 ILE HG2 . 11102 1 185 . 1 1 21 21 ILE HG22 H 1 0.935 0.030 . 1 . . . . 21 ILE HG2 . 11102 1 186 . 1 1 21 21 ILE HG23 H 1 0.935 0.030 . 1 . . . . 21 ILE HG2 . 11102 1 187 . 1 1 21 21 ILE C C 13 175.287 0.300 . 1 . . . . 21 ILE C . 11102 1 188 . 1 1 21 21 ILE CA C 13 59.974 0.300 . 1 . . . . 21 ILE CA . 11102 1 189 . 1 1 21 21 ILE CB C 13 38.351 0.300 . 1 . . . . 21 ILE CB . 11102 1 190 . 1 1 21 21 ILE CD1 C 13 13.343 0.300 . 1 . . . . 21 ILE CD1 . 11102 1 191 . 1 1 21 21 ILE CG1 C 13 28.852 0.300 . 1 . . . . 21 ILE CG1 . 11102 1 192 . 1 1 21 21 ILE CG2 C 13 16.887 0.300 . 1 . . . . 21 ILE CG2 . 11102 1 193 . 1 1 21 21 ILE N N 15 122.635 0.300 . 1 . . . . 21 ILE N . 11102 1 194 . 1 1 22 22 PRO HA H 1 4.367 0.030 . 1 . . . . 22 PRO HA . 11102 1 195 . 1 1 22 22 PRO HB2 H 1 2.301 0.030 . 2 . . . . 22 PRO HB2 . 11102 1 196 . 1 1 22 22 PRO HB3 H 1 1.930 0.030 . 2 . . . . 22 PRO HB3 . 11102 1 197 . 1 1 22 22 PRO HD2 H 1 3.480 0.030 . 2 . . . . 22 PRO HD2 . 11102 1 198 . 1 1 22 22 PRO HD3 H 1 3.762 0.030 . 2 . . . . 22 PRO HD3 . 11102 1 199 . 1 1 22 22 PRO HG2 H 1 1.891 0.030 . 1 . . . . 22 PRO HG2 . 11102 1 200 . 1 1 22 22 PRO HG3 H 1 1.891 0.030 . 1 . . . . 22 PRO HG3 . 11102 1 201 . 1 1 22 22 PRO C C 13 176.985 0.300 . 1 . . . . 22 PRO C . 11102 1 202 . 1 1 22 22 PRO CA C 13 62.658 0.300 . 1 . . . . 22 PRO CA . 11102 1 203 . 1 1 22 22 PRO CB C 13 32.271 0.300 . 1 . . . . 22 PRO CB . 11102 1 204 . 1 1 22 22 PRO CD C 13 50.772 0.300 . 1 . . . . 22 PRO CD . 11102 1 205 . 1 1 22 22 PRO CG C 13 27.320 0.300 . 1 . . . . 22 PRO CG . 11102 1 206 . 1 1 23 23 GLU H H 1 8.755 0.030 . 1 . . . . 23 GLU H . 11102 1 207 . 1 1 23 23 GLU HA H 1 3.993 0.030 . 1 . . . . 23 GLU HA . 11102 1 208 . 1 1 23 23 GLU HB2 H 1 2.024 0.030 . 2 . . . . 23 GLU HB2 . 11102 1 209 . 1 1 23 23 GLU HG2 H 1 2.352 0.030 . 2 . . . . 23 GLU HG2 . 11102 1 210 . 1 1 23 23 GLU HG3 H 1 2.277 0.030 . 2 . . . . 23 GLU HG3 . 11102 1 211 . 1 1 23 23 GLU C C 13 176.413 0.300 . 1 . . . . 23 GLU C . 11102 1 212 . 1 1 23 23 GLU CA C 13 58.576 0.300 . 1 . . . . 23 GLU CA . 11102 1 213 . 1 1 23 23 GLU CB C 13 29.995 0.300 . 1 . . . . 23 GLU CB . 11102 1 214 . 1 1 23 23 GLU CG C 13 36.565 0.300 . 1 . . . . 23 GLU CG . 11102 1 215 . 1 1 23 23 GLU N N 15 122.989 0.300 . 1 . . . . 23 GLU N . 11102 1 216 . 1 1 24 24 SER H H 1 7.818 0.030 . 1 . . . . 24 SER H . 11102 1 217 . 1 1 24 24 SER HA H 1 4.462 0.030 . 1 . . . . 24 SER HA . 11102 1 218 . 1 1 24 24 SER HB2 H 1 3.754 0.030 . 2 . . . . 24 SER HB2 . 11102 1 219 . 1 1 24 24 SER HB3 H 1 3.814 0.030 . 2 . . . . 24 SER HB3 . 11102 1 220 . 1 1 24 24 SER C C 13 173.293 0.300 . 1 . . . . 24 SER C . 11102 1 221 . 1 1 24 24 SER CA C 13 57.015 0.300 . 1 . . . . 24 SER CA . 11102 1 222 . 1 1 24 24 SER CB C 13 64.456 0.300 . 1 . . . . 24 SER CB . 11102 1 223 . 1 1 24 24 SER N N 15 110.976 0.300 . 1 . . . . 24 SER N . 11102 1 224 . 1 1 25 25 ASN H H 1 8.963 0.030 . 1 . . . . 25 ASN H . 11102 1 225 . 1 1 25 25 ASN HA H 1 4.981 0.030 . 1 . . . . 25 ASN HA . 11102 1 226 . 1 1 25 25 ASN HB2 H 1 3.274 0.030 . 2 . . . . 25 ASN HB2 . 11102 1 227 . 1 1 25 25 ASN HB3 H 1 2.366 0.030 . 2 . . . . 25 ASN HB3 . 11102 1 228 . 1 1 25 25 ASN HD21 H 1 8.148 0.030 . 2 . . . . 25 ASN HD21 . 11102 1 229 . 1 1 25 25 ASN HD22 H 1 7.846 0.030 . 2 . . . . 25 ASN HD22 . 11102 1 230 . 1 1 25 25 ASN C C 13 174.007 0.300 . 1 . . . . 25 ASN C . 11102 1 231 . 1 1 25 25 ASN CA C 13 50.924 0.300 . 1 . . . . 25 ASN CA . 11102 1 232 . 1 1 25 25 ASN CB C 13 38.487 0.300 . 1 . . . . 25 ASN CB . 11102 1 233 . 1 1 25 25 ASN N N 15 125.082 0.300 . 1 . . . . 25 ASN N . 11102 1 234 . 1 1 25 25 ASN ND2 N 15 110.093 0.300 . 1 . . . . 25 ASN ND2 . 11102 1 235 . 1 1 26 26 ASP H H 1 8.428 0.030 . 1 . . . . 26 ASP H . 11102 1 236 . 1 1 26 26 ASP HA H 1 4.855 0.030 . 1 . . . . 26 ASP HA . 11102 1 237 . 1 1 26 26 ASP HB2 H 1 2.718 0.030 . 2 . . . . 26 ASP HB2 . 11102 1 238 . 1 1 26 26 ASP HB3 H 1 2.608 0.030 . 2 . . . . 26 ASP HB3 . 11102 1 239 . 1 1 26 26 ASP C C 13 176.648 0.300 . 1 . . . . 26 ASP C . 11102 1 240 . 1 1 26 26 ASP CA C 13 53.810 0.300 . 1 . . . . 26 ASP CA . 11102 1 241 . 1 1 26 26 ASP CB C 13 41.463 0.300 . 1 . . . . 26 ASP CB . 11102 1 242 . 1 1 26 26 ASP N N 15 119.396 0.300 . 1 . . . . 26 ASP N . 11102 1 243 . 1 1 27 27 GLY H H 1 8.358 0.030 . 1 . . . . 27 GLY H . 11102 1 244 . 1 1 27 27 GLY HA2 H 1 3.855 0.030 . 2 . . . . 27 GLY HA2 . 11102 1 245 . 1 1 27 27 GLY HA3 H 1 4.284 0.030 . 2 . . . . 27 GLY HA3 . 11102 1 246 . 1 1 27 27 GLY C C 13 171.554 0.300 . 1 . . . . 27 GLY C . 11102 1 247 . 1 1 27 27 GLY CA C 13 44.587 0.300 . 1 . . . . 27 GLY CA . 11102 1 248 . 1 1 27 27 GLY N N 15 109.004 0.300 . 1 . . . . 27 GLY N . 11102 1 249 . 1 1 28 28 PRO HA H 1 4.170 0.030 . 1 . . . . 28 PRO HA . 11102 1 250 . 1 1 28 28 PRO HB2 H 1 2.086 0.030 . 2 . . . . 28 PRO HB2 . 11102 1 251 . 1 1 28 28 PRO HB3 H 1 1.707 0.030 . 2 . . . . 28 PRO HB3 . 11102 1 252 . 1 1 28 28 PRO HD2 H 1 3.731 0.030 . 2 . . . . 28 PRO HD2 . 11102 1 253 . 1 1 28 28 PRO HD3 H 1 3.556 0.030 . 2 . . . . 28 PRO HD3 . 11102 1 254 . 1 1 28 28 PRO HG2 H 1 1.964 0.030 . 2 . . . . 28 PRO HG2 . 11102 1 255 . 1 1 28 28 PRO HG3 H 1 2.083 0.030 . 2 . . . . 28 PRO HG3 . 11102 1 256 . 1 1 28 28 PRO C C 13 175.713 0.300 . 1 . . . . 28 PRO C . 11102 1 257 . 1 1 28 28 PRO CA C 13 64.383 0.300 . 1 . . . . 28 PRO CA . 11102 1 258 . 1 1 28 28 PRO CB C 13 31.523 0.300 . 1 . . . . 28 PRO CB . 11102 1 259 . 1 1 28 28 PRO CD C 13 49.230 0.300 . 1 . . . . 28 PRO CD . 11102 1 260 . 1 1 28 28 PRO CG C 13 27.402 0.300 . 1 . . . . 28 PRO CG . 11102 1 261 . 1 1 29 29 VAL H H 1 7.077 0.030 . 1 . . . . 29 VAL H . 11102 1 262 . 1 1 29 29 VAL HA H 1 4.283 0.030 . 1 . . . . 29 VAL HA . 11102 1 263 . 1 1 29 29 VAL HB H 1 1.758 0.030 . 1 . . . . 29 VAL HB . 11102 1 264 . 1 1 29 29 VAL HG11 H 1 0.776 0.030 . 1 . . . . 29 VAL HG1 . 11102 1 265 . 1 1 29 29 VAL HG12 H 1 0.776 0.030 . 1 . . . . 29 VAL HG1 . 11102 1 266 . 1 1 29 29 VAL HG13 H 1 0.776 0.030 . 1 . . . . 29 VAL HG1 . 11102 1 267 . 1 1 29 29 VAL HG21 H 1 0.721 0.030 . 1 . . . . 29 VAL HG2 . 11102 1 268 . 1 1 29 29 VAL HG22 H 1 0.721 0.030 . 1 . . . . 29 VAL HG2 . 11102 1 269 . 1 1 29 29 VAL HG23 H 1 0.721 0.030 . 1 . . . . 29 VAL HG2 . 11102 1 270 . 1 1 29 29 VAL C C 13 176.740 0.300 . 1 . . . . 29 VAL C . 11102 1 271 . 1 1 29 29 VAL CA C 13 60.122 0.300 . 1 . . . . 29 VAL CA . 11102 1 272 . 1 1 29 29 VAL CB C 13 33.166 0.300 . 1 . . . . 29 VAL CB . 11102 1 273 . 1 1 29 29 VAL CG1 C 13 21.151 0.300 . 2 . . . . 29 VAL CG1 . 11102 1 274 . 1 1 29 29 VAL CG2 C 13 21.716 0.300 . 2 . . . . 29 VAL CG2 . 11102 1 275 . 1 1 29 29 VAL N N 15 114.465 0.300 . 1 . . . . 29 VAL N . 11102 1 276 . 1 1 30 30 LYS H H 1 9.410 0.030 . 1 . . . . 30 LYS H . 11102 1 277 . 1 1 30 30 LYS HA H 1 4.001 0.030 . 1 . . . . 30 LYS HA . 11102 1 278 . 1 1 30 30 LYS HB2 H 1 1.576 0.030 . 2 . . . . 30 LYS HB2 . 11102 1 279 . 1 1 30 30 LYS HB3 H 1 1.499 0.030 . 2 . . . . 30 LYS HB3 . 11102 1 280 . 1 1 30 30 LYS HD2 H 1 1.557 0.030 . 2 . . . . 30 LYS HD2 . 11102 1 281 . 1 1 30 30 LYS HD3 H 1 1.481 0.030 . 2 . . . . 30 LYS HD3 . 11102 1 282 . 1 1 30 30 LYS HE2 H 1 3.015 0.030 . 2 . . . . 30 LYS HE2 . 11102 1 283 . 1 1 30 30 LYS HE3 H 1 2.958 0.030 . 2 . . . . 30 LYS HE3 . 11102 1 284 . 1 1 30 30 LYS HG2 H 1 1.404 0.030 . 1 . . . . 30 LYS HG2 . 11102 1 285 . 1 1 30 30 LYS HG3 H 1 1.404 0.030 . 1 . . . . 30 LYS HG3 . 11102 1 286 . 1 1 30 30 LYS C C 13 175.071 0.300 . 1 . . . . 30 LYS C . 11102 1 287 . 1 1 30 30 LYS CA C 13 55.305 0.300 . 1 . . . . 30 LYS CA . 11102 1 288 . 1 1 30 30 LYS CB C 13 32.131 0.300 . 1 . . . . 30 LYS CB . 11102 1 289 . 1 1 30 30 LYS CD C 13 27.783 0.300 . 1 . . . . 30 LYS CD . 11102 1 290 . 1 1 30 30 LYS CE C 13 42.722 0.300 . 1 . . . . 30 LYS CE . 11102 1 291 . 1 1 30 30 LYS CG C 13 25.037 0.300 . 1 . . . . 30 LYS CG . 11102 1 292 . 1 1 30 30 LYS N N 15 129.461 0.300 . 1 . . . . 30 LYS N . 11102 1 293 . 1 1 31 31 VAL H H 1 9.318 0.030 . 1 . . . . 31 VAL H . 11102 1 294 . 1 1 31 31 VAL HA H 1 3.949 0.030 . 1 . . . . 31 VAL HA . 11102 1 295 . 1 1 31 31 VAL HB H 1 1.907 0.030 . 1 . . . . 31 VAL HB . 11102 1 296 . 1 1 31 31 VAL HG11 H 1 0.889 0.030 . 1 . . . . 31 VAL HG1 . 11102 1 297 . 1 1 31 31 VAL HG12 H 1 0.889 0.030 . 1 . . . . 31 VAL HG1 . 11102 1 298 . 1 1 31 31 VAL HG13 H 1 0.889 0.030 . 1 . . . . 31 VAL HG1 . 11102 1 299 . 1 1 31 31 VAL HG21 H 1 1.010 0.030 . 1 . . . . 31 VAL HG2 . 11102 1 300 . 1 1 31 31 VAL HG22 H 1 1.010 0.030 . 1 . . . . 31 VAL HG2 . 11102 1 301 . 1 1 31 31 VAL HG23 H 1 1.010 0.030 . 1 . . . . 31 VAL HG2 . 11102 1 302 . 1 1 31 31 VAL C C 13 175.015 0.300 . 1 . . . . 31 VAL C . 11102 1 303 . 1 1 31 31 VAL CA C 13 64.062 0.300 . 1 . . . . 31 VAL CA . 11102 1 304 . 1 1 31 31 VAL CB C 13 32.322 0.300 . 1 . . . . 31 VAL CB . 11102 1 305 . 1 1 31 31 VAL CG1 C 13 21.059 0.300 . 2 . . . . 31 VAL CG1 . 11102 1 306 . 1 1 31 31 VAL CG2 C 13 21.797 0.300 . 2 . . . . 31 VAL CG2 . 11102 1 307 . 1 1 31 31 VAL N N 15 126.130 0.300 . 1 . . . . 31 VAL N . 11102 1 308 . 1 1 32 32 VAL H H 1 8.891 0.030 . 1 . . . . 32 VAL H . 11102 1 309 . 1 1 32 32 VAL HA H 1 4.455 0.030 . 1 . . . . 32 VAL HA . 11102 1 310 . 1 1 32 32 VAL HB H 1 1.612 0.030 . 1 . . . . 32 VAL HB . 11102 1 311 . 1 1 32 32 VAL HG11 H 1 0.887 0.030 . 1 . . . . 32 VAL HG1 . 11102 1 312 . 1 1 32 32 VAL HG12 H 1 0.887 0.030 . 1 . . . . 32 VAL HG1 . 11102 1 313 . 1 1 32 32 VAL HG13 H 1 0.887 0.030 . 1 . . . . 32 VAL HG1 . 11102 1 314 . 1 1 32 32 VAL HG21 H 1 0.524 0.030 . 1 . . . . 32 VAL HG2 . 11102 1 315 . 1 1 32 32 VAL HG22 H 1 0.524 0.030 . 1 . . . . 32 VAL HG2 . 11102 1 316 . 1 1 32 32 VAL HG23 H 1 0.524 0.030 . 1 . . . . 32 VAL HG2 . 11102 1 317 . 1 1 32 32 VAL C C 13 174.073 0.300 . 1 . . . . 32 VAL C . 11102 1 318 . 1 1 32 32 VAL CA C 13 60.532 0.300 . 1 . . . . 32 VAL CA . 11102 1 319 . 1 1 32 32 VAL CB C 13 33.133 0.300 . 1 . . . . 32 VAL CB . 11102 1 320 . 1 1 32 32 VAL CG1 C 13 23.939 0.300 . 2 . . . . 32 VAL CG1 . 11102 1 321 . 1 1 32 32 VAL CG2 C 13 23.954 0.300 . 2 . . . . 32 VAL CG2 . 11102 1 322 . 1 1 32 32 VAL N N 15 129.527 0.300 . 1 . . . . 32 VAL N . 11102 1 323 . 1 1 33 33 VAL H H 1 9.272 0.030 . 1 . . . . 33 VAL H . 11102 1 324 . 1 1 33 33 VAL HA H 1 4.511 0.030 . 1 . . . . 33 VAL HA . 11102 1 325 . 1 1 33 33 VAL HB H 1 2.616 0.030 . 1 . . . . 33 VAL HB . 11102 1 326 . 1 1 33 33 VAL HG11 H 1 0.788 0.030 . 1 . . . . 33 VAL HG1 . 11102 1 327 . 1 1 33 33 VAL HG12 H 1 0.788 0.030 . 1 . . . . 33 VAL HG1 . 11102 1 328 . 1 1 33 33 VAL HG13 H 1 0.788 0.030 . 1 . . . . 33 VAL HG1 . 11102 1 329 . 1 1 33 33 VAL HG21 H 1 0.573 0.030 . 1 . . . . 33 VAL HG2 . 11102 1 330 . 1 1 33 33 VAL HG22 H 1 0.573 0.030 . 1 . . . . 33 VAL HG2 . 11102 1 331 . 1 1 33 33 VAL HG23 H 1 0.573 0.030 . 1 . . . . 33 VAL HG2 . 11102 1 332 . 1 1 33 33 VAL C C 13 176.123 0.300 . 1 . . . . 33 VAL C . 11102 1 333 . 1 1 33 33 VAL CA C 13 58.153 0.300 . 1 . . . . 33 VAL CA . 11102 1 334 . 1 1 33 33 VAL CB C 13 34.063 0.300 . 1 . . . . 33 VAL CB . 11102 1 335 . 1 1 33 33 VAL CG1 C 13 22.331 0.300 . 2 . . . . 33 VAL CG1 . 11102 1 336 . 1 1 33 33 VAL CG2 C 13 19.479 0.300 . 2 . . . . 33 VAL CG2 . 11102 1 337 . 1 1 33 33 VAL N N 15 120.688 0.300 . 1 . . . . 33 VAL N . 11102 1 338 . 1 1 34 34 ALA H H 1 8.571 0.030 . 1 . . . . 34 ALA H . 11102 1 339 . 1 1 34 34 ALA HA H 1 3.913 0.030 . 1 . . . . 34 ALA HA . 11102 1 340 . 1 1 34 34 ALA HB1 H 1 1.473 0.030 . 1 . . . . 34 ALA HB . 11102 1 341 . 1 1 34 34 ALA HB2 H 1 1.473 0.030 . 1 . . . . 34 ALA HB . 11102 1 342 . 1 1 34 34 ALA HB3 H 1 1.473 0.030 . 1 . . . . 34 ALA HB . 11102 1 343 . 1 1 34 34 ALA C C 13 181.048 0.300 . 1 . . . . 34 ALA C . 11102 1 344 . 1 1 34 34 ALA CA C 13 57.028 0.300 . 1 . . . . 34 ALA CA . 11102 1 345 . 1 1 34 34 ALA CB C 13 17.600 0.300 . 1 . . . . 34 ALA CB . 11102 1 346 . 1 1 34 34 ALA N N 15 125.792 0.300 . 1 . . . . 34 ALA N . 11102 1 347 . 1 1 35 35 GLU H H 1 8.233 0.030 . 1 . . . . 35 GLU H . 11102 1 348 . 1 1 35 35 GLU HA H 1 4.058 0.030 . 1 . . . . 35 GLU HA . 11102 1 349 . 1 1 35 35 GLU HB2 H 1 1.867 0.030 . 2 . . . . 35 GLU HB2 . 11102 1 350 . 1 1 35 35 GLU HB3 H 1 1.953 0.030 . 2 . . . . 35 GLU HB3 . 11102 1 351 . 1 1 35 35 GLU HG2 H 1 2.392 0.030 . 2 . . . . 35 GLU HG2 . 11102 1 352 . 1 1 35 35 GLU HG3 H 1 2.296 0.030 . 2 . . . . 35 GLU HG3 . 11102 1 353 . 1 1 35 35 GLU C C 13 176.743 0.300 . 1 . . . . 35 GLU C . 11102 1 354 . 1 1 35 35 GLU CA C 13 58.949 0.300 . 1 . . . . 35 GLU CA . 11102 1 355 . 1 1 35 35 GLU CB C 13 30.464 0.300 . 1 . . . . 35 GLU CB . 11102 1 356 . 1 1 35 35 GLU CG C 13 37.005 0.300 . 1 . . . . 35 GLU CG . 11102 1 357 . 1 1 35 35 GLU N N 15 111.904 0.300 . 1 . . . . 35 GLU N . 11102 1 358 . 1 1 36 36 ASN H H 1 7.369 0.030 . 1 . . . . 36 ASN H . 11102 1 359 . 1 1 36 36 ASN HA H 1 5.311 0.030 . 1 . . . . 36 ASN HA . 11102 1 360 . 1 1 36 36 ASN HB2 H 1 3.410 0.030 . 2 . . . . 36 ASN HB2 . 11102 1 361 . 1 1 36 36 ASN HB3 H 1 2.425 0.030 . 2 . . . . 36 ASN HB3 . 11102 1 362 . 1 1 36 36 ASN HD21 H 1 7.714 0.030 . 2 . . . . 36 ASN HD21 . 11102 1 363 . 1 1 36 36 ASN HD22 H 1 6.092 0.030 . 2 . . . . 36 ASN HD22 . 11102 1 364 . 1 1 36 36 ASN C C 13 175.498 0.300 . 1 . . . . 36 ASN C . 11102 1 365 . 1 1 36 36 ASN CA C 13 51.754 0.300 . 1 . . . . 36 ASN CA . 11102 1 366 . 1 1 36 36 ASN CB C 13 39.118 0.300 . 1 . . . . 36 ASN CB . 11102 1 367 . 1 1 36 36 ASN N N 15 114.662 0.300 . 1 . . . . 36 ASN N . 11102 1 368 . 1 1 36 36 ASN ND2 N 15 103.721 0.300 . 1 . . . . 36 ASN ND2 . 11102 1 369 . 1 1 37 37 PHE H H 1 7.357 0.030 . 1 . . . . 37 PHE H . 11102 1 370 . 1 1 37 37 PHE HA H 1 3.686 0.030 . 1 . . . . 37 PHE HA . 11102 1 371 . 1 1 37 37 PHE HB2 H 1 3.165 0.030 . 2 . . . . 37 PHE HB2 . 11102 1 372 . 1 1 37 37 PHE HB3 H 1 3.052 0.030 . 2 . . . . 37 PHE HB3 . 11102 1 373 . 1 1 37 37 PHE HD1 H 1 6.980 0.030 . 1 . . . . 37 PHE HD1 . 11102 1 374 . 1 1 37 37 PHE HD2 H 1 6.980 0.030 . 1 . . . . 37 PHE HD2 . 11102 1 375 . 1 1 37 37 PHE HE1 H 1 7.056 0.030 . 1 . . . . 37 PHE HE1 . 11102 1 376 . 1 1 37 37 PHE HE2 H 1 7.056 0.030 . 1 . . . . 37 PHE HE2 . 11102 1 377 . 1 1 37 37 PHE HZ H 1 6.226 0.030 . 1 . . . . 37 PHE HZ . 11102 1 378 . 1 1 37 37 PHE C C 13 177.981 0.300 . 1 . . . . 37 PHE C . 11102 1 379 . 1 1 37 37 PHE CA C 13 62.339 0.300 . 1 . . . . 37 PHE CA . 11102 1 380 . 1 1 37 37 PHE CB C 13 41.018 0.300 . 1 . . . . 37 PHE CB . 11102 1 381 . 1 1 37 37 PHE CD1 C 13 132.686 0.300 . 1 . . . . 37 PHE CD1 . 11102 1 382 . 1 1 37 37 PHE CD2 C 13 132.686 0.300 . 1 . . . . 37 PHE CD2 . 11102 1 383 . 1 1 37 37 PHE CE1 C 13 130.576 0.300 . 1 . . . . 37 PHE CE1 . 11102 1 384 . 1 1 37 37 PHE CE2 C 13 130.576 0.300 . 1 . . . . 37 PHE CE2 . 11102 1 385 . 1 1 37 37 PHE CZ C 13 129.860 0.300 . 1 . . . . 37 PHE CZ . 11102 1 386 . 1 1 37 37 PHE N N 15 121.025 0.300 . 1 . . . . 37 PHE N . 11102 1 387 . 1 1 38 38 ASP H H 1 8.970 0.030 . 1 . . . . 38 ASP H . 11102 1 388 . 1 1 38 38 ASP HA H 1 4.422 0.030 . 1 . . . . 38 ASP HA . 11102 1 389 . 1 1 38 38 ASP HB2 H 1 2.701 0.030 . 1 . . . . 38 ASP HB2 . 11102 1 390 . 1 1 38 38 ASP HB3 H 1 2.701 0.030 . 1 . . . . 38 ASP HB3 . 11102 1 391 . 1 1 38 38 ASP C C 13 178.277 0.300 . 1 . . . . 38 ASP C . 11102 1 392 . 1 1 38 38 ASP CA C 13 58.048 0.300 . 1 . . . . 38 ASP CA . 11102 1 393 . 1 1 38 38 ASP CB C 13 40.459 0.300 . 1 . . . . 38 ASP CB . 11102 1 394 . 1 1 38 38 ASP N N 15 117.540 0.300 . 1 . . . . 38 ASP N . 11102 1 395 . 1 1 39 39 GLU H H 1 7.950 0.030 . 1 . . . . 39 GLU H . 11102 1 396 . 1 1 39 39 GLU HA H 1 3.853 0.030 . 1 . . . . 39 GLU HA . 11102 1 397 . 1 1 39 39 GLU HB2 H 1 2.105 0.030 . 2 . . . . 39 GLU HB2 . 11102 1 398 . 1 1 39 39 GLU HB3 H 1 2.037 0.030 . 2 . . . . 39 GLU HB3 . 11102 1 399 . 1 1 39 39 GLU HG2 H 1 2.286 0.030 . 2 . . . . 39 GLU HG2 . 11102 1 400 . 1 1 39 39 GLU HG3 H 1 2.130 0.030 . 2 . . . . 39 GLU HG3 . 11102 1 401 . 1 1 39 39 GLU C C 13 177.570 0.300 . 1 . . . . 39 GLU C . 11102 1 402 . 1 1 39 39 GLU CA C 13 58.794 0.300 . 1 . . . . 39 GLU CA . 11102 1 403 . 1 1 39 39 GLU CB C 13 29.728 0.300 . 1 . . . . 39 GLU CB . 11102 1 404 . 1 1 39 39 GLU CG C 13 35.977 0.300 . 1 . . . . 39 GLU CG . 11102 1 405 . 1 1 39 39 GLU N N 15 119.152 0.300 . 1 . . . . 39 GLU N . 11102 1 406 . 1 1 40 40 ILE H H 1 7.637 0.030 . 1 . . . . 40 ILE H . 11102 1 407 . 1 1 40 40 ILE HA H 1 3.958 0.030 . 1 . . . . 40 ILE HA . 11102 1 408 . 1 1 40 40 ILE HB H 1 1.445 0.030 . 1 . . . . 40 ILE HB . 11102 1 409 . 1 1 40 40 ILE HD11 H 1 0.697 0.030 . 1 . . . . 40 ILE HD1 . 11102 1 410 . 1 1 40 40 ILE HD12 H 1 0.697 0.030 . 1 . . . . 40 ILE HD1 . 11102 1 411 . 1 1 40 40 ILE HD13 H 1 0.697 0.030 . 1 . . . . 40 ILE HD1 . 11102 1 412 . 1 1 40 40 ILE HG12 H 1 1.181 0.030 . 2 . . . . 40 ILE HG12 . 11102 1 413 . 1 1 40 40 ILE HG13 H 1 1.483 0.030 . 2 . . . . 40 ILE HG13 . 11102 1 414 . 1 1 40 40 ILE HG21 H 1 0.487 0.030 . 1 . . . . 40 ILE HG2 . 11102 1 415 . 1 1 40 40 ILE HG22 H 1 0.487 0.030 . 1 . . . . 40 ILE HG2 . 11102 1 416 . 1 1 40 40 ILE HG23 H 1 0.487 0.030 . 1 . . . . 40 ILE HG2 . 11102 1 417 . 1 1 40 40 ILE C C 13 176.601 0.300 . 1 . . . . 40 ILE C . 11102 1 418 . 1 1 40 40 ILE CA C 13 62.509 0.300 . 1 . . . . 40 ILE CA . 11102 1 419 . 1 1 40 40 ILE CB C 13 38.273 0.300 . 1 . . . . 40 ILE CB . 11102 1 420 . 1 1 40 40 ILE CD1 C 13 12.018 0.300 . 1 . . . . 40 ILE CD1 . 11102 1 421 . 1 1 40 40 ILE CG1 C 13 28.089 0.300 . 1 . . . . 40 ILE CG1 . 11102 1 422 . 1 1 40 40 ILE CG2 C 13 16.222 0.300 . 1 . . . . 40 ILE CG2 . 11102 1 423 . 1 1 40 40 ILE N N 15 115.161 0.300 . 1 . . . . 40 ILE N . 11102 1 424 . 1 1 41 41 VAL H H 1 8.356 0.030 . 1 . . . . 41 VAL H . 11102 1 425 . 1 1 41 41 VAL HA H 1 3.308 0.030 . 1 . . . . 41 VAL HA . 11102 1 426 . 1 1 41 41 VAL HB H 1 1.058 0.030 . 1 . . . . 41 VAL HB . 11102 1 427 . 1 1 41 41 VAL HG11 H 1 0.530 0.030 . 1 . . . . 41 VAL HG1 . 11102 1 428 . 1 1 41 41 VAL HG12 H 1 0.530 0.030 . 1 . . . . 41 VAL HG1 . 11102 1 429 . 1 1 41 41 VAL HG13 H 1 0.530 0.030 . 1 . . . . 41 VAL HG1 . 11102 1 430 . 1 1 41 41 VAL HG21 H 1 -0.165 0.030 . 1 . . . . 41 VAL HG2 . 11102 1 431 . 1 1 41 41 VAL HG22 H 1 -0.165 0.030 . 1 . . . . 41 VAL HG2 . 11102 1 432 . 1 1 41 41 VAL HG23 H 1 -0.165 0.030 . 1 . . . . 41 VAL HG2 . 11102 1 433 . 1 1 41 41 VAL C C 13 176.421 0.300 . 1 . . . . 41 VAL C . 11102 1 434 . 1 1 41 41 VAL CA C 13 65.287 0.300 . 1 . . . . 41 VAL CA . 11102 1 435 . 1 1 41 41 VAL CB C 13 31.140 0.300 . 1 . . . . 41 VAL CB . 11102 1 436 . 1 1 41 41 VAL CG1 C 13 20.784 0.300 . 2 . . . . 41 VAL CG1 . 11102 1 437 . 1 1 41 41 VAL CG2 C 13 22.152 0.300 . 2 . . . . 41 VAL CG2 . 11102 1 438 . 1 1 41 41 VAL N N 15 116.990 0.300 . 1 . . . . 41 VAL N . 11102 1 439 . 1 1 42 42 ASN H H 1 6.922 0.030 . 1 . . . . 42 ASN H . 11102 1 440 . 1 1 42 42 ASN HA H 1 4.883 0.030 . 1 . . . . 42 ASN HA . 11102 1 441 . 1 1 42 42 ASN HB2 H 1 3.176 0.030 . 2 . . . . 42 ASN HB2 . 11102 1 442 . 1 1 42 42 ASN HB3 H 1 3.068 0.030 . 2 . . . . 42 ASN HB3 . 11102 1 443 . 1 1 42 42 ASN HD21 H 1 8.239 0.030 . 2 . . . . 42 ASN HD21 . 11102 1 444 . 1 1 42 42 ASN HD22 H 1 6.825 0.030 . 2 . . . . 42 ASN HD22 . 11102 1 445 . 1 1 42 42 ASN CA C 13 52.812 0.300 . 1 . . . . 42 ASN CA . 11102 1 446 . 1 1 42 42 ASN CB C 13 37.488 0.300 . 1 . . . . 42 ASN CB . 11102 1 447 . 1 1 42 42 ASN N N 15 113.243 0.300 . 1 . . . . 42 ASN N . 11102 1 448 . 1 1 42 42 ASN ND2 N 15 111.252 0.300 . 1 . . . . 42 ASN ND2 . 11102 1 449 . 1 1 43 43 ASN H H 1 8.853 0.030 . 1 . . . . 43 ASN H . 11102 1 450 . 1 1 43 43 ASN HA H 1 4.453 0.030 . 1 . . . . 43 ASN HA . 11102 1 451 . 1 1 43 43 ASN HB2 H 1 2.806 0.030 . 2 . . . . 43 ASN HB2 . 11102 1 452 . 1 1 43 43 ASN HB3 H 1 2.610 0.030 . 2 . . . . 43 ASN HB3 . 11102 1 453 . 1 1 43 43 ASN HD21 H 1 7.031 0.030 . 2 . . . . 43 ASN HD21 . 11102 1 454 . 1 1 43 43 ASN HD22 H 1 7.923 0.030 . 2 . . . . 43 ASN HD22 . 11102 1 455 . 1 1 43 43 ASN CA C 13 53.606 0.300 . 1 . . . . 43 ASN CA . 11102 1 456 . 1 1 43 43 ASN CB C 13 37.932 0.300 . 1 . . . . 43 ASN CB . 11102 1 457 . 1 1 43 43 ASN N N 15 126.875 0.300 . 1 . . . . 43 ASN N . 11102 1 458 . 1 1 43 43 ASN ND2 N 15 111.934 0.300 . 1 . . . . 43 ASN ND2 . 11102 1 459 . 1 1 44 44 GLU H H 1 6.205 0.030 . 1 . . . . 44 GLU H . 11102 1 460 . 1 1 44 44 GLU HB2 H 1 2.129 0.030 . 2 . . . . 44 GLU HB2 . 11102 1 461 . 1 1 44 44 GLU HB3 H 1 1.977 0.030 . 2 . . . . 44 GLU HB3 . 11102 1 462 . 1 1 44 44 GLU HG2 H 1 2.287 0.030 . 2 . . . . 44 GLU HG2 . 11102 1 463 . 1 1 44 44 GLU HG3 H 1 2.342 0.030 . 2 . . . . 44 GLU HG3 . 11102 1 464 . 1 1 44 44 GLU C C 13 175.409 0.300 . 1 . . . . 44 GLU C . 11102 1 465 . 1 1 44 44 GLU CA C 13 58.771 0.300 . 1 . . . . 44 GLU CA . 11102 1 466 . 1 1 44 44 GLU CB C 13 29.764 0.300 . 1 . . . . 44 GLU CB . 11102 1 467 . 1 1 44 44 GLU CG C 13 36.260 0.300 . 1 . . . . 44 GLU CG . 11102 1 468 . 1 1 45 45 ASN H H 1 8.113 0.030 . 1 . . . . 45 ASN H . 11102 1 469 . 1 1 45 45 ASN HA H 1 4.776 0.030 . 1 . . . . 45 ASN HA . 11102 1 470 . 1 1 45 45 ASN HB2 H 1 2.917 0.030 . 2 . . . . 45 ASN HB2 . 11102 1 471 . 1 1 45 45 ASN HB3 H 1 2.605 0.030 . 2 . . . . 45 ASN HB3 . 11102 1 472 . 1 1 45 45 ASN HD21 H 1 7.047 0.030 . 2 . . . . 45 ASN HD21 . 11102 1 473 . 1 1 45 45 ASN HD22 H 1 7.633 0.030 . 2 . . . . 45 ASN HD22 . 11102 1 474 . 1 1 45 45 ASN C C 13 175.145 0.300 . 1 . . . . 45 ASN C . 11102 1 475 . 1 1 45 45 ASN CA C 13 53.372 0.300 . 1 . . . . 45 ASN CA . 11102 1 476 . 1 1 45 45 ASN CB C 13 39.735 0.300 . 1 . . . . 45 ASN CB . 11102 1 477 . 1 1 45 45 ASN N N 15 112.420 0.300 . 1 . . . . 45 ASN N . 11102 1 478 . 1 1 45 45 ASN ND2 N 15 114.086 0.300 . 1 . . . . 45 ASN ND2 . 11102 1 479 . 1 1 46 46 LYS H H 1 7.748 0.030 . 1 . . . . 46 LYS H . 11102 1 480 . 1 1 46 46 LYS HA H 1 4.883 0.030 . 1 . . . . 46 LYS HA . 11102 1 481 . 1 1 46 46 LYS HB2 H 1 1.512 0.030 . 2 . . . . 46 LYS HB2 . 11102 1 482 . 1 1 46 46 LYS HB3 H 1 1.482 0.030 . 2 . . . . 46 LYS HB3 . 11102 1 483 . 1 1 46 46 LYS HD2 H 1 1.339 0.030 . 2 . . . . 46 LYS HD2 . 11102 1 484 . 1 1 46 46 LYS HD3 H 1 1.604 0.030 . 2 . . . . 46 LYS HD3 . 11102 1 485 . 1 1 46 46 LYS HE2 H 1 2.856 0.030 . 2 . . . . 46 LYS HE2 . 11102 1 486 . 1 1 46 46 LYS HE3 H 1 2.783 0.030 . 2 . . . . 46 LYS HE3 . 11102 1 487 . 1 1 46 46 LYS HG2 H 1 1.072 0.030 . 2 . . . . 46 LYS HG2 . 11102 1 488 . 1 1 46 46 LYS HG3 H 1 1.436 0.030 . 2 . . . . 46 LYS HG3 . 11102 1 489 . 1 1 46 46 LYS C C 13 175.733 0.300 . 1 . . . . 46 LYS C . 11102 1 490 . 1 1 46 46 LYS CA C 13 53.520 0.300 . 1 . . . . 46 LYS CA . 11102 1 491 . 1 1 46 46 LYS CB C 13 35.053 0.300 . 1 . . . . 46 LYS CB . 11102 1 492 . 1 1 46 46 LYS CD C 13 28.669 0.300 . 1 . . . . 46 LYS CD . 11102 1 493 . 1 1 46 46 LYS CE C 13 42.606 0.300 . 1 . . . . 46 LYS CE . 11102 1 494 . 1 1 46 46 LYS CG C 13 24.251 0.300 . 1 . . . . 46 LYS CG . 11102 1 495 . 1 1 46 46 LYS N N 15 117.333 0.300 . 1 . . . . 46 LYS N . 11102 1 496 . 1 1 47 47 ASP H H 1 8.563 0.030 . 1 . . . . 47 ASP H . 11102 1 497 . 1 1 47 47 ASP HA H 1 4.844 0.030 . 1 . . . . 47 ASP HA . 11102 1 498 . 1 1 47 47 ASP HB2 H 1 2.833 0.030 . 2 . . . . 47 ASP HB2 . 11102 1 499 . 1 1 47 47 ASP HB3 H 1 2.713 0.030 . 2 . . . . 47 ASP HB3 . 11102 1 500 . 1 1 47 47 ASP C C 13 175.016 0.300 . 1 . . . . 47 ASP C . 11102 1 501 . 1 1 47 47 ASP CA C 13 53.697 0.300 . 1 . . . . 47 ASP CA . 11102 1 502 . 1 1 47 47 ASP CB C 13 43.003 0.300 . 1 . . . . 47 ASP CB . 11102 1 503 . 1 1 47 47 ASP N N 15 125.064 0.300 . 1 . . . . 47 ASP N . 11102 1 504 . 1 1 48 48 VAL H H 1 7.900 0.030 . 1 . . . . 48 VAL H . 11102 1 505 . 1 1 48 48 VAL HA H 1 5.021 0.030 . 1 . . . . 48 VAL HA . 11102 1 506 . 1 1 48 48 VAL HB H 1 1.877 0.030 . 1 . . . . 48 VAL HB . 11102 1 507 . 1 1 48 48 VAL HG11 H 1 0.564 0.030 . 1 . . . . 48 VAL HG1 . 11102 1 508 . 1 1 48 48 VAL HG12 H 1 0.564 0.030 . 1 . . . . 48 VAL HG1 . 11102 1 509 . 1 1 48 48 VAL HG13 H 1 0.564 0.030 . 1 . . . . 48 VAL HG1 . 11102 1 510 . 1 1 48 48 VAL HG21 H 1 0.871 0.030 . 1 . . . . 48 VAL HG2 . 11102 1 511 . 1 1 48 48 VAL HG22 H 1 0.871 0.030 . 1 . . . . 48 VAL HG2 . 11102 1 512 . 1 1 48 48 VAL HG23 H 1 0.871 0.030 . 1 . . . . 48 VAL HG2 . 11102 1 513 . 1 1 48 48 VAL C C 13 173.806 0.300 . 1 . . . . 48 VAL C . 11102 1 514 . 1 1 48 48 VAL CA C 13 60.526 0.300 . 1 . . . . 48 VAL CA . 11102 1 515 . 1 1 48 48 VAL CB C 13 35.129 0.300 . 1 . . . . 48 VAL CB . 11102 1 516 . 1 1 48 48 VAL CG1 C 13 20.583 0.300 . 2 . . . . 48 VAL CG1 . 11102 1 517 . 1 1 48 48 VAL CG2 C 13 20.508 0.300 . 2 . . . . 48 VAL CG2 . 11102 1 518 . 1 1 48 48 VAL N N 15 122.306 0.300 . 1 . . . . 48 VAL N . 11102 1 519 . 1 1 49 49 LEU H H 1 9.073 0.030 . 1 . . . . 49 LEU H . 11102 1 520 . 1 1 49 49 LEU HA H 1 5.433 0.030 . 1 . . . . 49 LEU HA . 11102 1 521 . 1 1 49 49 LEU HB2 H 1 2.281 0.030 . 2 . . . . 49 LEU HB2 . 11102 1 522 . 1 1 49 49 LEU HB3 H 1 1.161 0.030 . 2 . . . . 49 LEU HB3 . 11102 1 523 . 1 1 49 49 LEU HD11 H 1 0.962 0.030 . 1 . . . . 49 LEU HD1 . 11102 1 524 . 1 1 49 49 LEU HD12 H 1 0.962 0.030 . 1 . . . . 49 LEU HD1 . 11102 1 525 . 1 1 49 49 LEU HD13 H 1 0.962 0.030 . 1 . . . . 49 LEU HD1 . 11102 1 526 . 1 1 49 49 LEU HD21 H 1 0.667 0.030 . 1 . . . . 49 LEU HD2 . 11102 1 527 . 1 1 49 49 LEU HD22 H 1 0.667 0.030 . 1 . . . . 49 LEU HD2 . 11102 1 528 . 1 1 49 49 LEU HD23 H 1 0.667 0.030 . 1 . . . . 49 LEU HD2 . 11102 1 529 . 1 1 49 49 LEU HG H 1 1.688 0.030 . 1 . . . . 49 LEU HG . 11102 1 530 . 1 1 49 49 LEU C C 13 173.666 0.300 . 1 . . . . 49 LEU C . 11102 1 531 . 1 1 49 49 LEU CA C 13 53.440 0.300 . 1 . . . . 49 LEU CA . 11102 1 532 . 1 1 49 49 LEU CB C 13 45.204 0.300 . 1 . . . . 49 LEU CB . 11102 1 533 . 1 1 49 49 LEU CD1 C 13 24.074 0.300 . 2 . . . . 49 LEU CD1 . 11102 1 534 . 1 1 49 49 LEU CD2 C 13 27.787 0.300 . 2 . . . . 49 LEU CD2 . 11102 1 535 . 1 1 49 49 LEU CG C 13 26.889 0.300 . 1 . . . . 49 LEU CG . 11102 1 536 . 1 1 49 49 LEU N N 15 131.865 0.300 . 1 . . . . 49 LEU N . 11102 1 537 . 1 1 50 50 ILE H H 1 9.576 0.030 . 1 . . . . 50 ILE H . 11102 1 538 . 1 1 50 50 ILE HA H 1 4.894 0.030 . 1 . . . . 50 ILE HA . 11102 1 539 . 1 1 50 50 ILE HB H 1 1.060 0.030 . 1 . . . . 50 ILE HB . 11102 1 540 . 1 1 50 50 ILE HD11 H 1 0.245 0.030 . 1 . . . . 50 ILE HD1 . 11102 1 541 . 1 1 50 50 ILE HD12 H 1 0.245 0.030 . 1 . . . . 50 ILE HD1 . 11102 1 542 . 1 1 50 50 ILE HD13 H 1 0.245 0.030 . 1 . . . . 50 ILE HD1 . 11102 1 543 . 1 1 50 50 ILE HG12 H 1 0.340 0.030 . 2 . . . . 50 ILE HG12 . 11102 1 544 . 1 1 50 50 ILE HG13 H 1 0.132 0.030 . 2 . . . . 50 ILE HG13 . 11102 1 545 . 1 1 50 50 ILE HG21 H 1 0.774 0.030 . 1 . . . . 50 ILE HG2 . 11102 1 546 . 1 1 50 50 ILE HG22 H 1 0.774 0.030 . 1 . . . . 50 ILE HG2 . 11102 1 547 . 1 1 50 50 ILE HG23 H 1 0.774 0.030 . 1 . . . . 50 ILE HG2 . 11102 1 548 . 1 1 50 50 ILE C C 13 171.225 0.300 . 1 . . . . 50 ILE C . 11102 1 549 . 1 1 50 50 ILE CA C 13 56.603 0.300 . 1 . . . . 50 ILE CA . 11102 1 550 . 1 1 50 50 ILE CB C 13 42.207 0.300 . 1 . . . . 50 ILE CB . 11102 1 551 . 1 1 50 50 ILE CD1 C 13 15.304 0.300 . 1 . . . . 50 ILE CD1 . 11102 1 552 . 1 1 50 50 ILE CG1 C 13 28.999 0.300 . 1 . . . . 50 ILE CG1 . 11102 1 553 . 1 1 50 50 ILE CG2 C 13 15.912 0.300 . 1 . . . . 50 ILE CG2 . 11102 1 554 . 1 1 50 50 ILE N N 15 124.415 0.300 . 1 . . . . 50 ILE N . 11102 1 555 . 1 1 51 51 GLU H H 1 7.974 0.030 . 1 . . . . 51 GLU H . 11102 1 556 . 1 1 51 51 GLU HA H 1 4.636 0.030 . 1 . . . . 51 GLU HA . 11102 1 557 . 1 1 51 51 GLU HB2 H 1 1.922 0.030 . 2 . . . . 51 GLU HB2 . 11102 1 558 . 1 1 51 51 GLU HB3 H 1 1.140 0.030 . 2 . . . . 51 GLU HB3 . 11102 1 559 . 1 1 51 51 GLU HG2 H 1 1.717 0.030 . 2 . . . . 51 GLU HG2 . 11102 1 560 . 1 1 51 51 GLU HG3 H 1 1.791 0.030 . 2 . . . . 51 GLU HG3 . 11102 1 561 . 1 1 51 51 GLU C C 13 174.058 0.300 . 1 . . . . 51 GLU C . 11102 1 562 . 1 1 51 51 GLU CA C 13 53.756 0.300 . 1 . . . . 51 GLU CA . 11102 1 563 . 1 1 51 51 GLU CB C 13 28.837 0.300 . 1 . . . . 51 GLU CB . 11102 1 564 . 1 1 51 51 GLU CG C 13 31.022 0.300 . 1 . . . . 51 GLU CG . 11102 1 565 . 1 1 51 51 GLU N N 15 127.865 0.300 . 1 . . . . 51 GLU N . 11102 1 566 . 1 1 52 52 PHE H H 1 9.881 0.030 . 1 . . . . 52 PHE H . 11102 1 567 . 1 1 52 52 PHE HA H 1 5.716 0.030 . 1 . . . . 52 PHE HA . 11102 1 568 . 1 1 52 52 PHE HB2 H 1 3.409 0.030 . 2 . . . . 52 PHE HB2 . 11102 1 569 . 1 1 52 52 PHE HB3 H 1 3.014 0.030 . 2 . . . . 52 PHE HB3 . 11102 1 570 . 1 1 52 52 PHE HD1 H 1 7.266 0.030 . 1 . . . . 52 PHE HD1 . 11102 1 571 . 1 1 52 52 PHE HD2 H 1 7.266 0.030 . 1 . . . . 52 PHE HD2 . 11102 1 572 . 1 1 52 52 PHE HE1 H 1 7.330 0.030 . 1 . . . . 52 PHE HE1 . 11102 1 573 . 1 1 52 52 PHE HE2 H 1 7.330 0.030 . 1 . . . . 52 PHE HE2 . 11102 1 574 . 1 1 52 52 PHE HZ H 1 6.419 0.030 . 1 . . . . 52 PHE HZ . 11102 1 575 . 1 1 52 52 PHE C C 13 175.506 0.300 . 1 . . . . 52 PHE C . 11102 1 576 . 1 1 52 52 PHE CA C 13 56.823 0.300 . 1 . . . . 52 PHE CA . 11102 1 577 . 1 1 52 52 PHE CB C 13 39.855 0.300 . 1 . . . . 52 PHE CB . 11102 1 578 . 1 1 52 52 PHE CD1 C 13 131.515 0.300 . 1 . . . . 52 PHE CD1 . 11102 1 579 . 1 1 52 52 PHE CD2 C 13 131.515 0.300 . 1 . . . . 52 PHE CD2 . 11102 1 580 . 1 1 52 52 PHE CE1 C 13 131.522 0.300 . 1 . . . . 52 PHE CE1 . 11102 1 581 . 1 1 52 52 PHE CE2 C 13 131.522 0.300 . 1 . . . . 52 PHE CE2 . 11102 1 582 . 1 1 52 52 PHE CZ C 13 128.736 0.300 . 1 . . . . 52 PHE CZ . 11102 1 583 . 1 1 52 52 PHE N N 15 128.719 0.300 . 1 . . . . 52 PHE N . 11102 1 584 . 1 1 53 53 TYR H H 1 8.784 0.030 . 1 . . . . 53 TYR H . 11102 1 585 . 1 1 53 53 TYR HA H 1 5.408 0.030 . 1 . . . . 53 TYR HA . 11102 1 586 . 1 1 53 53 TYR HB2 H 1 2.868 0.030 . 2 . . . . 53 TYR HB2 . 11102 1 587 . 1 1 53 53 TYR HB3 H 1 2.541 0.030 . 2 . . . . 53 TYR HB3 . 11102 1 588 . 1 1 53 53 TYR HD1 H 1 6.563 0.030 . 1 . . . . 53 TYR HD1 . 11102 1 589 . 1 1 53 53 TYR HD2 H 1 6.563 0.030 . 1 . . . . 53 TYR HD2 . 11102 1 590 . 1 1 53 53 TYR HE1 H 1 6.401 0.030 . 1 . . . . 53 TYR HE1 . 11102 1 591 . 1 1 53 53 TYR HE2 H 1 6.401 0.030 . 1 . . . . 53 TYR HE2 . 11102 1 592 . 1 1 53 53 TYR C C 13 170.786 0.300 . 1 . . . . 53 TYR C . 11102 1 593 . 1 1 53 53 TYR CA C 13 54.940 0.300 . 1 . . . . 53 TYR CA . 11102 1 594 . 1 1 53 53 TYR CB C 13 42.962 0.300 . 1 . . . . 53 TYR CB . 11102 1 595 . 1 1 53 53 TYR CD1 C 13 133.058 0.300 . 1 . . . . 53 TYR CD1 . 11102 1 596 . 1 1 53 53 TYR CD2 C 13 133.058 0.300 . 1 . . . . 53 TYR CD2 . 11102 1 597 . 1 1 53 53 TYR CE1 C 13 117.262 0.300 . 1 . . . . 53 TYR CE1 . 11102 1 598 . 1 1 53 53 TYR CE2 C 13 117.262 0.300 . 1 . . . . 53 TYR CE2 . 11102 1 599 . 1 1 53 53 TYR N N 15 120.926 0.300 . 1 . . . . 53 TYR N . 11102 1 600 . 1 1 54 54 ALA H H 1 7.046 0.030 . 1 . . . . 54 ALA H . 11102 1 601 . 1 1 54 54 ALA HA H 1 4.235 0.030 . 1 . . . . 54 ALA HA . 11102 1 602 . 1 1 54 54 ALA HB1 H 1 -0.880 0.030 . 1 . . . . 54 ALA HB . 11102 1 603 . 1 1 54 54 ALA HB2 H 1 -0.880 0.030 . 1 . . . . 54 ALA HB . 11102 1 604 . 1 1 54 54 ALA HB3 H 1 -0.880 0.030 . 1 . . . . 54 ALA HB . 11102 1 605 . 1 1 54 54 ALA C C 13 176.985 0.300 . 1 . . . . 54 ALA C . 11102 1 606 . 1 1 54 54 ALA CA C 13 47.567 0.300 . 1 . . . . 54 ALA CA . 11102 1 607 . 1 1 54 54 ALA CB C 13 19.249 0.300 . 1 . . . . 54 ALA CB . 11102 1 608 . 1 1 54 54 ALA N N 15 119.735 0.300 . 1 . . . . 54 ALA N . 11102 1 609 . 1 1 55 55 PRO HA H 1 4.292 0.030 . 1 . . . . 55 PRO HA . 11102 1 610 . 1 1 55 55 PRO HB2 H 1 2.318 0.030 . 2 . . . . 55 PRO HB2 . 11102 1 611 . 1 1 55 55 PRO HB3 H 1 2.041 0.030 . 2 . . . . 55 PRO HB3 . 11102 1 612 . 1 1 55 55 PRO HD2 H 1 3.436 0.030 . 2 . . . . 55 PRO HD2 . 11102 1 613 . 1 1 55 55 PRO HD3 H 1 3.132 0.030 . 2 . . . . 55 PRO HD3 . 11102 1 614 . 1 1 55 55 PRO HG2 H 1 2.095 0.030 . 2 . . . . 55 PRO HG2 . 11102 1 615 . 1 1 55 55 PRO HG3 H 1 2.026 0.030 . 2 . . . . 55 PRO HG3 . 11102 1 616 . 1 1 55 55 PRO C C 13 175.651 0.300 . 1 . . . . 55 PRO C . 11102 1 617 . 1 1 55 55 PRO CA C 13 64.464 0.300 . 1 . . . . 55 PRO CA . 11102 1 618 . 1 1 55 55 PRO CB C 13 31.883 0.300 . 1 . . . . 55 PRO CB . 11102 1 619 . 1 1 55 55 PRO CD C 13 51.088 0.300 . 1 . . . . 55 PRO CD . 11102 1 620 . 1 1 55 55 PRO CG C 13 27.496 0.300 . 1 . . . . 55 PRO CG . 11102 1 621 . 1 1 56 56 TRP H H 1 5.923 0.030 . 1 . . . . 56 TRP H . 11102 1 622 . 1 1 56 56 TRP HA H 1 4.601 0.030 . 1 . . . . 56 TRP HA . 11102 1 623 . 1 1 56 56 TRP HB2 H 1 3.577 0.030 . 2 . . . . 56 TRP HB2 . 11102 1 624 . 1 1 56 56 TRP HB3 H 1 3.193 0.030 . 2 . . . . 56 TRP HB3 . 11102 1 625 . 1 1 56 56 TRP HD1 H 1 7.316 0.030 . 1 . . . . 56 TRP HD1 . 11102 1 626 . 1 1 56 56 TRP HE1 H 1 10.337 0.030 . 1 . . . . 56 TRP HE1 . 11102 1 627 . 1 1 56 56 TRP HE3 H 1 7.376 0.030 . 1 . . . . 56 TRP HE3 . 11102 1 628 . 1 1 56 56 TRP HH2 H 1 7.410 0.030 . 1 . . . . 56 TRP HH2 . 11102 1 629 . 1 1 56 56 TRP HZ2 H 1 7.486 0.030 . 1 . . . . 56 TRP HZ2 . 11102 1 630 . 1 1 56 56 TRP HZ3 H 1 7.277 0.030 . 1 . . . . 56 TRP HZ3 . 11102 1 631 . 1 1 56 56 TRP C C 13 176.034 0.300 . 1 . . . . 56 TRP C . 11102 1 632 . 1 1 56 56 TRP CA C 13 53.907 0.300 . 1 . . . . 56 TRP CA . 11102 1 633 . 1 1 56 56 TRP CB C 13 29.278 0.300 . 1 . . . . 56 TRP CB . 11102 1 634 . 1 1 56 56 TRP CD1 C 13 128.448 0.300 . 1 . . . . 56 TRP CD1 . 11102 1 635 . 1 1 56 56 TRP CE3 C 13 120.835 0.300 . 1 . . . . 56 TRP CE3 . 11102 1 636 . 1 1 56 56 TRP CH2 C 13 125.702 0.300 . 1 . . . . 56 TRP CH2 . 11102 1 637 . 1 1 56 56 TRP CZ2 C 13 115.041 0.300 . 1 . . . . 56 TRP CZ2 . 11102 1 638 . 1 1 56 56 TRP CZ3 C 13 122.370 0.300 . 1 . . . . 56 TRP CZ3 . 11102 1 639 . 1 1 56 56 TRP N N 15 110.394 0.300 . 1 . . . . 56 TRP N . 11102 1 640 . 1 1 56 56 TRP NE1 N 15 130.865 0.300 . 1 . . . . 56 TRP NE1 . 11102 1 641 . 1 1 57 57 CYS H H 1 6.592 0.030 . 1 . . . . 57 CYS H . 11102 1 642 . 1 1 57 57 CYS HA H 1 4.400 0.030 . 1 . . . . 57 CYS HA . 11102 1 643 . 1 1 57 57 CYS HB2 H 1 2.646 0.030 . 2 . . . . 57 CYS HB2 . 11102 1 644 . 1 1 57 57 CYS HB3 H 1 2.266 0.030 . 2 . . . . 57 CYS HB3 . 11102 1 645 . 1 1 57 57 CYS C C 13 177.981 0.300 . 1 . . . . 57 CYS C . 11102 1 646 . 1 1 57 57 CYS CA C 13 60.068 0.300 . 1 . . . . 57 CYS CA . 11102 1 647 . 1 1 57 57 CYS CB C 13 30.106 0.300 . 1 . . . . 57 CYS CB . 11102 1 648 . 1 1 57 57 CYS N N 15 126.281 0.300 . 1 . . . . 57 CYS N . 11102 1 649 . 1 1 58 58 GLY H H 1 9.087 0.030 . 1 . . . . 58 GLY H . 11102 1 650 . 1 1 58 58 GLY HA2 H 1 3.972 0.030 . 2 . . . . 58 GLY HA2 . 11102 1 651 . 1 1 58 58 GLY HA3 H 1 3.825 0.030 . 2 . . . . 58 GLY HA3 . 11102 1 652 . 1 1 58 58 GLY C C 13 176.930 0.300 . 1 . . . . 58 GLY C . 11102 1 653 . 1 1 58 58 GLY CA C 13 47.572 0.300 . 1 . . . . 58 GLY CA . 11102 1 654 . 1 1 58 58 GLY N N 15 119.337 0.300 . 1 . . . . 58 GLY N . 11102 1 655 . 1 1 59 59 HIS H H 1 9.460 0.030 . 1 . . . . 59 HIS H . 11102 1 656 . 1 1 59 59 HIS HA H 1 4.653 0.030 . 1 . . . . 59 HIS HA . 11102 1 657 . 1 1 59 59 HIS HB2 H 1 3.474 0.030 . 2 . . . . 59 HIS HB2 . 11102 1 658 . 1 1 59 59 HIS HB3 H 1 3.041 0.030 . 2 . . . . 59 HIS HB3 . 11102 1 659 . 1 1 59 59 HIS HD2 H 1 7.339 0.030 . 1 . . . . 59 HIS HD2 . 11102 1 660 . 1 1 59 59 HIS HE1 H 1 7.861 0.030 . 1 . . . . 59 HIS HE1 . 11102 1 661 . 1 1 59 59 HIS C C 13 180.791 0.300 . 1 . . . . 59 HIS C . 11102 1 662 . 1 1 59 59 HIS CA C 13 59.390 0.300 . 1 . . . . 59 HIS CA . 11102 1 663 . 1 1 59 59 HIS CB C 13 30.933 0.300 . 1 . . . . 59 HIS CB . 11102 1 664 . 1 1 59 59 HIS CD2 C 13 119.791 0.300 . 1 . . . . 59 HIS CD2 . 11102 1 665 . 1 1 59 59 HIS CE1 C 13 139.303 0.300 . 1 . . . . 59 HIS CE1 . 11102 1 666 . 1 1 59 59 HIS N N 15 127.130 0.300 . 1 . . . . 59 HIS N . 11102 1 667 . 1 1 60 60 CYS H H 1 9.821 0.030 . 1 . . . . 60 CYS H . 11102 1 668 . 1 1 60 60 CYS HA H 1 3.971 0.030 . 1 . . . . 60 CYS HA . 11102 1 669 . 1 1 60 60 CYS HB2 H 1 3.541 0.030 . 2 . . . . 60 CYS HB2 . 11102 1 670 . 1 1 60 60 CYS HB3 H 1 2.727 0.030 . 2 . . . . 60 CYS HB3 . 11102 1 671 . 1 1 60 60 CYS C C 13 178.469 0.300 . 1 . . . . 60 CYS C . 11102 1 672 . 1 1 60 60 CYS CA C 13 64.435 0.300 . 1 . . . . 60 CYS CA . 11102 1 673 . 1 1 60 60 CYS CB C 13 28.689 0.300 . 1 . . . . 60 CYS CB . 11102 1 674 . 1 1 60 60 CYS N N 15 128.329 0.300 . 1 . . . . 60 CYS N . 11102 1 675 . 1 1 61 61 LYS H H 1 8.715 0.030 . 1 . . . . 61 LYS H . 11102 1 676 . 1 1 61 61 LYS HA H 1 4.008 0.030 . 1 . . . . 61 LYS HA . 11102 1 677 . 1 1 61 61 LYS HB2 H 1 1.887 0.030 . 2 . . . . 61 LYS HB2 . 11102 1 678 . 1 1 61 61 LYS HE2 H 1 2.964 0.030 . 2 . . . . 61 LYS HE2 . 11102 1 679 . 1 1 61 61 LYS HG2 H 1 1.530 0.030 . 2 . . . . 61 LYS HG2 . 11102 1 680 . 1 1 61 61 LYS HG3 H 1 1.437 0.030 . 2 . . . . 61 LYS HG3 . 11102 1 681 . 1 1 61 61 LYS C C 13 179.067 0.300 . 1 . . . . 61 LYS C . 11102 1 682 . 1 1 61 61 LYS CA C 13 59.639 0.300 . 1 . . . . 61 LYS CA . 11102 1 683 . 1 1 61 61 LYS CB C 13 31.943 0.300 . 1 . . . . 61 LYS CB . 11102 1 684 . 1 1 61 61 LYS CD C 13 28.811 0.300 . 1 . . . . 61 LYS CD . 11102 1 685 . 1 1 61 61 LYS CE C 13 42.051 0.300 . 1 . . . . 61 LYS CE . 11102 1 686 . 1 1 61 61 LYS CG C 13 24.869 0.300 . 1 . . . . 61 LYS CG . 11102 1 687 . 1 1 61 61 LYS N N 15 123.912 0.300 . 1 . . . . 61 LYS N . 11102 1 688 . 1 1 62 62 ASN H H 1 7.845 0.030 . 1 . . . . 62 ASN H . 11102 1 689 . 1 1 62 62 ASN HA H 1 4.488 0.030 . 1 . . . . 62 ASN HA . 11102 1 690 . 1 1 62 62 ASN HB2 H 1 2.976 0.030 . 2 . . . . 62 ASN HB2 . 11102 1 691 . 1 1 62 62 ASN HB3 H 1 2.877 0.030 . 2 . . . . 62 ASN HB3 . 11102 1 692 . 1 1 62 62 ASN HD21 H 1 7.766 0.030 . 2 . . . . 62 ASN HD21 . 11102 1 693 . 1 1 62 62 ASN HD22 H 1 6.910 0.030 . 2 . . . . 62 ASN HD22 . 11102 1 694 . 1 1 62 62 ASN C C 13 176.805 0.300 . 1 . . . . 62 ASN C . 11102 1 695 . 1 1 62 62 ASN CA C 13 55.667 0.300 . 1 . . . . 62 ASN CA . 11102 1 696 . 1 1 62 62 ASN CB C 13 38.733 0.300 . 1 . . . . 62 ASN CB . 11102 1 697 . 1 1 62 62 ASN N N 15 117.242 0.300 . 1 . . . . 62 ASN N . 11102 1 698 . 1 1 62 62 ASN ND2 N 15 112.231 0.300 . 1 . . . . 62 ASN ND2 . 11102 1 699 . 1 1 63 63 LEU H H 1 7.464 0.030 . 1 . . . . 63 LEU H . 11102 1 700 . 1 1 63 63 LEU HA H 1 4.433 0.030 . 1 . . . . 63 LEU HA . 11102 1 701 . 1 1 63 63 LEU HB2 H 1 1.679 0.030 . 2 . . . . 63 LEU HB2 . 11102 1 702 . 1 1 63 63 LEU HB3 H 1 1.848 0.030 . 2 . . . . 63 LEU HB3 . 11102 1 703 . 1 1 63 63 LEU HD11 H 1 1.286 0.030 . 1 . . . . 63 LEU HD1 . 11102 1 704 . 1 1 63 63 LEU HD12 H 1 1.286 0.030 . 1 . . . . 63 LEU HD1 . 11102 1 705 . 1 1 63 63 LEU HD13 H 1 1.286 0.030 . 1 . . . . 63 LEU HD1 . 11102 1 706 . 1 1 63 63 LEU HD21 H 1 0.813 0.030 . 1 . . . . 63 LEU HD2 . 11102 1 707 . 1 1 63 63 LEU HD22 H 1 0.813 0.030 . 1 . . . . 63 LEU HD2 . 11102 1 708 . 1 1 63 63 LEU HD23 H 1 0.813 0.030 . 1 . . . . 63 LEU HD2 . 11102 1 709 . 1 1 63 63 LEU HG H 1 1.630 0.030 . 1 . . . . 63 LEU HG . 11102 1 710 . 1 1 63 63 LEU C C 13 177.189 0.300 . 1 . . . . 63 LEU C . 11102 1 711 . 1 1 63 63 LEU CA C 13 55.939 0.300 . 1 . . . . 63 LEU CA . 11102 1 712 . 1 1 63 63 LEU CB C 13 42.591 0.300 . 1 . . . . 63 LEU CB . 11102 1 713 . 1 1 63 63 LEU CD1 C 13 24.218 0.300 . 2 . . . . 63 LEU CD1 . 11102 1 714 . 1 1 63 63 LEU CD2 C 13 26.732 0.300 . 2 . . . . 63 LEU CD2 . 11102 1 715 . 1 1 63 63 LEU CG C 13 27.113 0.300 . 1 . . . . 63 LEU CG . 11102 1 716 . 1 1 63 63 LEU N N 15 117.905 0.300 . 1 . . . . 63 LEU N . 11102 1 717 . 1 1 64 64 GLU H H 1 7.482 0.030 . 1 . . . . 64 GLU H . 11102 1 718 . 1 1 64 64 GLU HA H 1 4.004 0.030 . 1 . . . . 64 GLU HA . 11102 1 719 . 1 1 64 64 GLU HB2 H 1 2.237 0.030 . 2 . . . . 64 GLU HB2 . 11102 1 720 . 1 1 64 64 GLU HB3 H 1 2.031 0.030 . 2 . . . . 64 GLU HB3 . 11102 1 721 . 1 1 64 64 GLU HG2 H 1 2.195 0.030 . 2 . . . . 64 GLU HG2 . 11102 1 722 . 1 1 64 64 GLU HG3 H 1 2.043 0.030 . 2 . . . . 64 GLU HG3 . 11102 1 723 . 1 1 64 64 GLU C C 13 174.841 0.300 . 1 . . . . 64 GLU C . 11102 1 724 . 1 1 64 64 GLU CA C 13 61.770 0.300 . 1 . . . . 64 GLU CA . 11102 1 725 . 1 1 64 64 GLU CB C 13 27.330 0.300 . 1 . . . . 64 GLU CB . 11102 1 726 . 1 1 64 64 GLU CG C 13 35.895 0.300 . 1 . . . . 64 GLU CG . 11102 1 727 . 1 1 64 64 GLU N N 15 119.562 0.300 . 1 . . . . 64 GLU N . 11102 1 728 . 1 1 65 65 PRO HA H 1 4.392 0.030 . 1 . . . . 65 PRO HA . 11102 1 729 . 1 1 65 65 PRO HB2 H 1 2.341 0.030 . 2 . . . . 65 PRO HB2 . 11102 1 730 . 1 1 65 65 PRO HB3 H 1 1.968 0.030 . 2 . . . . 65 PRO HB3 . 11102 1 731 . 1 1 65 65 PRO HD2 H 1 3.767 0.030 . 2 . . . . 65 PRO HD2 . 11102 1 732 . 1 1 65 65 PRO HD3 H 1 3.941 0.030 . 2 . . . . 65 PRO HD3 . 11102 1 733 . 1 1 65 65 PRO HG2 H 1 2.128 0.030 . 2 . . . . 65 PRO HG2 . 11102 1 734 . 1 1 65 65 PRO HG3 H 1 2.075 0.030 . 2 . . . . 65 PRO HG3 . 11102 1 735 . 1 1 65 65 PRO C C 13 179.967 0.300 . 1 . . . . 65 PRO C . 11102 1 736 . 1 1 65 65 PRO CA C 13 65.969 0.300 . 1 . . . . 65 PRO CA . 11102 1 737 . 1 1 65 65 PRO CB C 13 31.012 0.300 . 1 . . . . 65 PRO CB . 11102 1 738 . 1 1 65 65 PRO CD C 13 49.944 0.300 . 1 . . . . 65 PRO CD . 11102 1 739 . 1 1 65 65 PRO CG C 13 28.512 0.300 . 1 . . . . 65 PRO CG . 11102 1 740 . 1 1 66 66 LYS H H 1 7.174 0.030 . 1 . . . . 66 LYS H . 11102 1 741 . 1 1 66 66 LYS HA H 1 4.363 0.030 . 1 . . . . 66 LYS HA . 11102 1 742 . 1 1 66 66 LYS HB2 H 1 2.181 0.030 . 2 . . . . 66 LYS HB2 . 11102 1 743 . 1 1 66 66 LYS HB3 H 1 1.900 0.030 . 2 . . . . 66 LYS HB3 . 11102 1 744 . 1 1 66 66 LYS HD2 H 1 1.913 0.030 . 2 . . . . 66 LYS HD2 . 11102 1 745 . 1 1 66 66 LYS HD3 H 1 1.856 0.030 . 2 . . . . 66 LYS HD3 . 11102 1 746 . 1 1 66 66 LYS HE2 H 1 3.130 0.030 . 2 . . . . 66 LYS HE2 . 11102 1 747 . 1 1 66 66 LYS HG2 H 1 1.722 0.030 . 2 . . . . 66 LYS HG2 . 11102 1 748 . 1 1 66 66 LYS HG3 H 1 1.619 0.030 . 2 . . . . 66 LYS HG3 . 11102 1 749 . 1 1 66 66 LYS C C 13 177.385 0.300 . 1 . . . . 66 LYS C . 11102 1 750 . 1 1 66 66 LYS CA C 13 58.535 0.300 . 1 . . . . 66 LYS CA . 11102 1 751 . 1 1 66 66 LYS CB C 13 32.928 0.300 . 1 . . . . 66 LYS CB . 11102 1 752 . 1 1 66 66 LYS CD C 13 29.851 0.300 . 1 . . . . 66 LYS CD . 11102 1 753 . 1 1 66 66 LYS CE C 13 42.287 0.300 . 1 . . . . 66 LYS CE . 11102 1 754 . 1 1 66 66 LYS CG C 13 25.798 0.300 . 1 . . . . 66 LYS CG . 11102 1 755 . 1 1 66 66 LYS N N 15 119.495 0.300 . 1 . . . . 66 LYS N . 11102 1 756 . 1 1 67 67 TYR H H 1 8.391 0.030 . 1 . . . . 67 TYR H . 11102 1 757 . 1 1 67 67 TYR HA H 1 3.610 0.030 . 1 . . . . 67 TYR HA . 11102 1 758 . 1 1 67 67 TYR HB2 H 1 2.914 0.030 . 2 . . . . 67 TYR HB2 . 11102 1 759 . 1 1 67 67 TYR HB3 H 1 2.469 0.030 . 2 . . . . 67 TYR HB3 . 11102 1 760 . 1 1 67 67 TYR HD1 H 1 6.363 0.030 . 1 . . . . 67 TYR HD1 . 11102 1 761 . 1 1 67 67 TYR HD2 H 1 6.363 0.030 . 1 . . . . 67 TYR HD2 . 11102 1 762 . 1 1 67 67 TYR HE1 H 1 6.014 0.030 . 1 . . . . 67 TYR HE1 . 11102 1 763 . 1 1 67 67 TYR HE2 H 1 6.014 0.030 . 1 . . . . 67 TYR HE2 . 11102 1 764 . 1 1 67 67 TYR C C 13 176.730 0.300 . 1 . . . . 67 TYR C . 11102 1 765 . 1 1 67 67 TYR CA C 13 61.977 0.300 . 1 . . . . 67 TYR CA . 11102 1 766 . 1 1 67 67 TYR CB C 13 38.677 0.300 . 1 . . . . 67 TYR CB . 11102 1 767 . 1 1 67 67 TYR CD1 C 13 131.514 0.300 . 1 . . . . 67 TYR CD1 . 11102 1 768 . 1 1 67 67 TYR CD2 C 13 131.514 0.300 . 1 . . . . 67 TYR CD2 . 11102 1 769 . 1 1 67 67 TYR CE1 C 13 117.496 0.300 . 1 . . . . 67 TYR CE1 . 11102 1 770 . 1 1 67 67 TYR CE2 C 13 117.496 0.300 . 1 . . . . 67 TYR CE2 . 11102 1 771 . 1 1 67 67 TYR N N 15 122.866 0.300 . 1 . . . . 67 TYR N . 11102 1 772 . 1 1 68 68 LYS H H 1 7.782 0.030 . 1 . . . . 68 LYS H . 11102 1 773 . 1 1 68 68 LYS HA H 1 3.767 0.030 . 1 . . . . 68 LYS HA . 11102 1 774 . 1 1 68 68 LYS HB2 H 1 1.816 0.030 . 2 . . . . 68 LYS HB2 . 11102 1 775 . 1 1 68 68 LYS HB3 H 1 1.738 0.030 . 2 . . . . 68 LYS HB3 . 11102 1 776 . 1 1 68 68 LYS HD2 H 1 1.666 0.030 . 2 . . . . 68 LYS HD2 . 11102 1 777 . 1 1 68 68 LYS HD3 H 1 1.605 0.030 . 2 . . . . 68 LYS HD3 . 11102 1 778 . 1 1 68 68 LYS HE2 H 1 2.915 0.030 . 1 . . . . 68 LYS HE2 . 11102 1 779 . 1 1 68 68 LYS HE3 H 1 2.915 0.030 . 1 . . . . 68 LYS HE3 . 11102 1 780 . 1 1 68 68 LYS HG2 H 1 1.358 0.030 . 2 . . . . 68 LYS HG2 . 11102 1 781 . 1 1 68 68 LYS HG3 H 1 1.271 0.030 . 2 . . . . 68 LYS HG3 . 11102 1 782 . 1 1 68 68 LYS C C 13 178.241 0.300 . 1 . . . . 68 LYS C . 11102 1 783 . 1 1 68 68 LYS CA C 13 59.525 0.300 . 1 . . . . 68 LYS CA . 11102 1 784 . 1 1 68 68 LYS CB C 13 32.312 0.300 . 1 . . . . 68 LYS CB . 11102 1 785 . 1 1 68 68 LYS CD C 13 29.776 0.300 . 1 . . . . 68 LYS CD . 11102 1 786 . 1 1 68 68 LYS CE C 13 42.049 0.300 . 1 . . . . 68 LYS CE . 11102 1 787 . 1 1 68 68 LYS CG C 13 25.171 0.300 . 1 . . . . 68 LYS CG . 11102 1 788 . 1 1 68 68 LYS N N 15 116.706 0.300 . 1 . . . . 68 LYS N . 11102 1 789 . 1 1 69 69 GLU H H 1 7.488 0.030 . 1 . . . . 69 GLU H . 11102 1 790 . 1 1 69 69 GLU HA H 1 4.006 0.030 . 1 . . . . 69 GLU HA . 11102 1 791 . 1 1 69 69 GLU HB2 H 1 2.189 0.030 . 2 . . . . 69 GLU HB2 . 11102 1 792 . 1 1 69 69 GLU HB3 H 1 2.126 0.030 . 2 . . . . 69 GLU HB3 . 11102 1 793 . 1 1 69 69 GLU HG2 H 1 2.471 0.030 . 2 . . . . 69 GLU HG2 . 11102 1 794 . 1 1 69 69 GLU HG3 H 1 2.171 0.030 . 2 . . . . 69 GLU HG3 . 11102 1 795 . 1 1 69 69 GLU C C 13 178.604 0.300 . 1 . . . . 69 GLU C . 11102 1 796 . 1 1 69 69 GLU CA C 13 59.449 0.300 . 1 . . . . 69 GLU CA . 11102 1 797 . 1 1 69 69 GLU CB C 13 29.279 0.300 . 1 . . . . 69 GLU CB . 11102 1 798 . 1 1 69 69 GLU CG C 13 36.863 0.300 . 1 . . . . 69 GLU CG . 11102 1 799 . 1 1 69 69 GLU N N 15 119.701 0.300 . 1 . . . . 69 GLU N . 11102 1 800 . 1 1 70 70 LEU H H 1 7.911 0.030 . 1 . . . . 70 LEU H . 11102 1 801 . 1 1 70 70 LEU HA H 1 3.709 0.030 . 1 . . . . 70 LEU HA . 11102 1 802 . 1 1 70 70 LEU HB2 H 1 1.941 0.030 . 2 . . . . 70 LEU HB2 . 11102 1 803 . 1 1 70 70 LEU HB3 H 1 1.012 0.030 . 2 . . . . 70 LEU HB3 . 11102 1 804 . 1 1 70 70 LEU HD11 H 1 0.732 0.030 . 1 . . . . 70 LEU HD1 . 11102 1 805 . 1 1 70 70 LEU HD12 H 1 0.732 0.030 . 1 . . . . 70 LEU HD1 . 11102 1 806 . 1 1 70 70 LEU HD13 H 1 0.732 0.030 . 1 . . . . 70 LEU HD1 . 11102 1 807 . 1 1 70 70 LEU HD21 H 1 0.036 0.030 . 1 . . . . 70 LEU HD2 . 11102 1 808 . 1 1 70 70 LEU HD22 H 1 0.036 0.030 . 1 . . . . 70 LEU HD2 . 11102 1 809 . 1 1 70 70 LEU HD23 H 1 0.036 0.030 . 1 . . . . 70 LEU HD2 . 11102 1 810 . 1 1 70 70 LEU HG H 1 1.025 0.030 . 1 . . . . 70 LEU HG . 11102 1 811 . 1 1 70 70 LEU C C 13 177.634 0.300 . 1 . . . . 70 LEU C . 11102 1 812 . 1 1 70 70 LEU CA C 13 58.294 0.300 . 1 . . . . 70 LEU CA . 11102 1 813 . 1 1 70 70 LEU CB C 13 40.796 0.300 . 1 . . . . 70 LEU CB . 11102 1 814 . 1 1 70 70 LEU CD1 C 13 24.127 0.300 . 2 . . . . 70 LEU CD1 . 11102 1 815 . 1 1 70 70 LEU CD2 C 13 26.276 0.300 . 2 . . . . 70 LEU CD2 . 11102 1 816 . 1 1 70 70 LEU CG C 13 26.418 0.300 . 1 . . . . 70 LEU CG . 11102 1 817 . 1 1 70 70 LEU N N 15 121.708 0.300 . 1 . . . . 70 LEU N . 11102 1 818 . 1 1 71 71 GLY H H 1 7.633 0.030 . 1 . . . . 71 GLY H . 11102 1 819 . 1 1 71 71 GLY HA2 H 1 3.380 0.030 . 1 . . . . 71 GLY HA2 . 11102 1 820 . 1 1 71 71 GLY HA3 H 1 3.380 0.030 . 1 . . . . 71 GLY HA3 . 11102 1 821 . 1 1 71 71 GLY C C 13 176.752 0.300 . 1 . . . . 71 GLY C . 11102 1 822 . 1 1 71 71 GLY CA C 13 47.307 0.300 . 1 . . . . 71 GLY CA . 11102 1 823 . 1 1 71 71 GLY N N 15 103.918 0.300 . 1 . . . . 71 GLY N . 11102 1 824 . 1 1 72 72 GLU H H 1 8.357 0.030 . 1 . . . . 72 GLU H . 11102 1 825 . 1 1 72 72 GLU HA H 1 3.923 0.030 . 1 . . . . 72 GLU HA . 11102 1 826 . 1 1 72 72 GLU HB2 H 1 2.228 0.030 . 2 . . . . 72 GLU HB2 . 11102 1 827 . 1 1 72 72 GLU HB3 H 1 1.985 0.030 . 2 . . . . 72 GLU HB3 . 11102 1 828 . 1 1 72 72 GLU HG2 H 1 2.378 0.030 . 2 . . . . 72 GLU HG2 . 11102 1 829 . 1 1 72 72 GLU HG3 H 1 2.148 0.030 . 2 . . . . 72 GLU HG3 . 11102 1 830 . 1 1 72 72 GLU C C 13 180.560 0.300 . 1 . . . . 72 GLU C . 11102 1 831 . 1 1 72 72 GLU CA C 13 59.718 0.300 . 1 . . . . 72 GLU CA . 11102 1 832 . 1 1 72 72 GLU CB C 13 29.547 0.300 . 1 . . . . 72 GLU CB . 11102 1 833 . 1 1 72 72 GLU CG C 13 36.704 0.300 . 1 . . . . 72 GLU CG . 11102 1 834 . 1 1 72 72 GLU N N 15 121.460 0.300 . 1 . . . . 72 GLU N . 11102 1 835 . 1 1 73 73 LYS H H 1 8.748 0.030 . 1 . . . . 73 LYS H . 11102 1 836 . 1 1 73 73 LYS HA H 1 4.078 0.030 . 1 . . . . 73 LYS HA . 11102 1 837 . 1 1 73 73 LYS HB2 H 1 2.024 0.030 . 2 . . . . 73 LYS HB2 . 11102 1 838 . 1 1 73 73 LYS HB3 H 1 1.892 0.030 . 2 . . . . 73 LYS HB3 . 11102 1 839 . 1 1 73 73 LYS HE2 H 1 2.962 0.030 . 2 . . . . 73 LYS HE2 . 11102 1 840 . 1 1 73 73 LYS HG2 H 1 1.602 0.030 . 2 . . . . 73 LYS HG2 . 11102 1 841 . 1 1 73 73 LYS HG3 H 1 1.543 0.030 . 2 . . . . 73 LYS HG3 . 11102 1 842 . 1 1 73 73 LYS C C 13 178.970 0.300 . 1 . . . . 73 LYS C . 11102 1 843 . 1 1 73 73 LYS CA C 13 58.710 0.300 . 1 . . . . 73 LYS CA . 11102 1 844 . 1 1 73 73 LYS CB C 13 31.961 0.300 . 1 . . . . 73 LYS CB . 11102 1 845 . 1 1 73 73 LYS CD C 13 28.948 0.300 . 1 . . . . 73 LYS CD . 11102 1 846 . 1 1 73 73 LYS CE C 13 42.054 0.300 . 1 . . . . 73 LYS CE . 11102 1 847 . 1 1 73 73 LYS CG C 13 25.444 0.300 . 1 . . . . 73 LYS CG . 11102 1 848 . 1 1 73 73 LYS N N 15 121.361 0.300 . 1 . . . . 73 LYS N . 11102 1 849 . 1 1 74 74 LEU H H 1 7.616 0.030 . 1 . . . . 74 LEU H . 11102 1 850 . 1 1 74 74 LEU HA H 1 4.581 0.030 . 1 . . . . 74 LEU HA . 11102 1 851 . 1 1 74 74 LEU HB2 H 1 1.839 0.030 . 2 . . . . 74 LEU HB2 . 11102 1 852 . 1 1 74 74 LEU HB3 H 1 1.586 0.030 . 2 . . . . 74 LEU HB3 . 11102 1 853 . 1 1 74 74 LEU HD11 H 1 0.794 0.030 . 1 . . . . 74 LEU HD1 . 11102 1 854 . 1 1 74 74 LEU HD12 H 1 0.794 0.030 . 1 . . . . 74 LEU HD1 . 11102 1 855 . 1 1 74 74 LEU HD13 H 1 0.794 0.030 . 1 . . . . 74 LEU HD1 . 11102 1 856 . 1 1 74 74 LEU HD21 H 1 0.824 0.030 . 1 . . . . 74 LEU HD2 . 11102 1 857 . 1 1 74 74 LEU HD22 H 1 0.824 0.030 . 1 . . . . 74 LEU HD2 . 11102 1 858 . 1 1 74 74 LEU HD23 H 1 0.824 0.030 . 1 . . . . 74 LEU HD2 . 11102 1 859 . 1 1 74 74 LEU HG H 1 1.633 0.030 . 1 . . . . 74 LEU HG . 11102 1 860 . 1 1 74 74 LEU C C 13 178.512 0.300 . 1 . . . . 74 LEU C . 11102 1 861 . 1 1 74 74 LEU CA C 13 54.129 0.300 . 1 . . . . 74 LEU CA . 11102 1 862 . 1 1 74 74 LEU CB C 13 40.826 0.300 . 1 . . . . 74 LEU CB . 11102 1 863 . 1 1 74 74 LEU CD1 C 13 26.684 0.300 . 2 . . . . 74 LEU CD1 . 11102 1 864 . 1 1 74 74 LEU CD2 C 13 22.762 0.300 . 2 . . . . 74 LEU CD2 . 11102 1 865 . 1 1 74 74 LEU CG C 13 27.582 0.300 . 1 . . . . 74 LEU CG . 11102 1 866 . 1 1 74 74 LEU N N 15 117.986 0.300 . 1 . . . . 74 LEU N . 11102 1 867 . 1 1 75 75 SER H H 1 7.488 0.030 . 1 . . . . 75 SER H . 11102 1 868 . 1 1 75 75 SER HA H 1 4.110 0.030 . 1 . . . . 75 SER HA . 11102 1 869 . 1 1 75 75 SER HB2 H 1 4.177 0.030 . 2 . . . . 75 SER HB2 . 11102 1 870 . 1 1 75 75 SER HB3 H 1 4.003 0.030 . 2 . . . . 75 SER HB3 . 11102 1 871 . 1 1 75 75 SER C C 13 175.420 0.300 . 1 . . . . 75 SER C . 11102 1 872 . 1 1 75 75 SER CA C 13 61.873 0.300 . 1 . . . . 75 SER CA . 11102 1 873 . 1 1 75 75 SER CB C 13 63.207 0.300 . 1 . . . . 75 SER CB . 11102 1 874 . 1 1 75 75 SER N N 15 117.210 0.300 . 1 . . . . 75 SER N . 11102 1 875 . 1 1 76 76 LYS H H 1 8.171 0.030 . 1 . . . . 76 LYS H . 11102 1 876 . 1 1 76 76 LYS HA H 1 4.403 0.030 . 1 . . . . 76 LYS HA . 11102 1 877 . 1 1 76 76 LYS HB2 H 1 1.998 0.030 . 2 . . . . 76 LYS HB2 . 11102 1 878 . 1 1 76 76 LYS HB3 H 1 1.749 0.030 . 2 . . . . 76 LYS HB3 . 11102 1 879 . 1 1 76 76 LYS HD2 H 1 1.647 0.030 . 1 . . . . 76 LYS HD2 . 11102 1 880 . 1 1 76 76 LYS HD3 H 1 1.647 0.030 . 1 . . . . 76 LYS HD3 . 11102 1 881 . 1 1 76 76 LYS HE2 H 1 3.005 0.030 . 2 . . . . 76 LYS HE2 . 11102 1 882 . 1 1 76 76 LYS HG2 H 1 1.445 0.030 . 2 . . . . 76 LYS HG2 . 11102 1 883 . 1 1 76 76 LYS HG3 H 1 1.381 0.030 . 2 . . . . 76 LYS HG3 . 11102 1 884 . 1 1 76 76 LYS C C 13 175.972 0.300 . 1 . . . . 76 LYS C . 11102 1 885 . 1 1 76 76 LYS CA C 13 55.774 0.300 . 1 . . . . 76 LYS CA . 11102 1 886 . 1 1 76 76 LYS CB C 13 31.487 0.300 . 1 . . . . 76 LYS CB . 11102 1 887 . 1 1 76 76 LYS CD C 13 28.742 0.300 . 1 . . . . 76 LYS CD . 11102 1 888 . 1 1 76 76 LYS CE C 13 42.260 0.300 . 1 . . . . 76 LYS CE . 11102 1 889 . 1 1 76 76 LYS CG C 13 24.763 0.300 . 1 . . . . 76 LYS CG . 11102 1 890 . 1 1 76 76 LYS N N 15 119.130 0.300 . 1 . . . . 76 LYS N . 11102 1 891 . 1 1 77 77 ASP H H 1 7.960 0.030 . 1 . . . . 77 ASP H . 11102 1 892 . 1 1 77 77 ASP HA H 1 4.920 0.030 . 1 . . . . 77 ASP HA . 11102 1 893 . 1 1 77 77 ASP HB2 H 1 3.037 0.030 . 2 . . . . 77 ASP HB2 . 11102 1 894 . 1 1 77 77 ASP HB3 H 1 2.523 0.030 . 2 . . . . 77 ASP HB3 . 11102 1 895 . 1 1 77 77 ASP C C 13 175.381 0.300 . 1 . . . . 77 ASP C . 11102 1 896 . 1 1 77 77 ASP CA C 13 52.011 0.300 . 1 . . . . 77 ASP CA . 11102 1 897 . 1 1 77 77 ASP CB C 13 42.726 0.300 . 1 . . . . 77 ASP CB . 11102 1 898 . 1 1 77 77 ASP N N 15 123.773 0.300 . 1 . . . . 77 ASP N . 11102 1 899 . 1 1 78 78 PRO HA H 1 4.489 0.030 . 1 . . . . 78 PRO HA . 11102 1 900 . 1 1 78 78 PRO HB2 H 1 2.259 0.030 . 2 . . . . 78 PRO HB2 . 11102 1 901 . 1 1 78 78 PRO HB3 H 1 1.955 0.030 . 2 . . . . 78 PRO HB3 . 11102 1 902 . 1 1 78 78 PRO HD2 H 1 3.944 0.030 . 2 . . . . 78 PRO HD2 . 11102 1 903 . 1 1 78 78 PRO HD3 H 1 3.845 0.030 . 2 . . . . 78 PRO HD3 . 11102 1 904 . 1 1 78 78 PRO HG2 H 1 2.019 0.030 . 2 . . . . 78 PRO HG2 . 11102 1 905 . 1 1 78 78 PRO HG3 H 1 1.921 0.030 . 2 . . . . 78 PRO HG3 . 11102 1 906 . 1 1 78 78 PRO C C 13 177.112 0.300 . 1 . . . . 78 PRO C . 11102 1 907 . 1 1 78 78 PRO CA C 13 63.835 0.300 . 1 . . . . 78 PRO CA . 11102 1 908 . 1 1 78 78 PRO CB C 13 32.308 0.300 . 1 . . . . 78 PRO CB . 11102 1 909 . 1 1 78 78 PRO CD C 13 50.837 0.300 . 1 . . . . 78 PRO CD . 11102 1 910 . 1 1 78 78 PRO CG C 13 26.793 0.300 . 1 . . . . 78 PRO CG . 11102 1 911 . 1 1 79 79 ASN H H 1 8.710 0.030 . 1 . . . . 79 ASN H . 11102 1 912 . 1 1 79 79 ASN HA H 1 4.851 0.030 . 1 . . . . 79 ASN HA . 11102 1 913 . 1 1 79 79 ASN HB2 H 1 3.095 0.030 . 2 . . . . 79 ASN HB2 . 11102 1 914 . 1 1 79 79 ASN HB3 H 1 2.914 0.030 . 2 . . . . 79 ASN HB3 . 11102 1 915 . 1 1 79 79 ASN HD21 H 1 7.021 0.030 . 2 . . . . 79 ASN HD21 . 11102 1 916 . 1 1 79 79 ASN HD22 H 1 8.021 0.030 . 2 . . . . 79 ASN HD22 . 11102 1 917 . 1 1 79 79 ASN C C 13 173.493 0.300 . 1 . . . . 79 ASN C . 11102 1 918 . 1 1 79 79 ASN CA C 13 54.339 0.300 . 1 . . . . 79 ASN CA . 11102 1 919 . 1 1 79 79 ASN CB C 13 40.535 0.300 . 1 . . . . 79 ASN CB . 11102 1 920 . 1 1 79 79 ASN N N 15 115.997 0.300 . 1 . . . . 79 ASN N . 11102 1 921 . 1 1 79 79 ASN ND2 N 15 115.653 0.300 . 1 . . . . 79 ASN ND2 . 11102 1 922 . 1 1 80 80 ILE H H 1 7.692 0.030 . 1 . . . . 80 ILE H . 11102 1 923 . 1 1 80 80 ILE HA H 1 5.168 0.030 . 1 . . . . 80 ILE HA . 11102 1 924 . 1 1 80 80 ILE HB H 1 1.661 0.030 . 1 . . . . 80 ILE HB . 11102 1 925 . 1 1 80 80 ILE HD11 H 1 0.946 0.030 . 1 . . . . 80 ILE HD1 . 11102 1 926 . 1 1 80 80 ILE HD12 H 1 0.946 0.030 . 1 . . . . 80 ILE HD1 . 11102 1 927 . 1 1 80 80 ILE HD13 H 1 0.946 0.030 . 1 . . . . 80 ILE HD1 . 11102 1 928 . 1 1 80 80 ILE HG12 H 1 1.132 0.030 . 2 . . . . 80 ILE HG12 . 11102 1 929 . 1 1 80 80 ILE HG13 H 1 1.678 0.030 . 2 . . . . 80 ILE HG13 . 11102 1 930 . 1 1 80 80 ILE HG21 H 1 0.853 0.030 . 1 . . . . 80 ILE HG2 . 11102 1 931 . 1 1 80 80 ILE HG22 H 1 0.853 0.030 . 1 . . . . 80 ILE HG2 . 11102 1 932 . 1 1 80 80 ILE HG23 H 1 0.853 0.030 . 1 . . . . 80 ILE HG2 . 11102 1 933 . 1 1 80 80 ILE C C 13 174.977 0.300 . 1 . . . . 80 ILE C . 11102 1 934 . 1 1 80 80 ILE CA C 13 59.615 0.300 . 1 . . . . 80 ILE CA . 11102 1 935 . 1 1 80 80 ILE CB C 13 40.499 0.300 . 1 . . . . 80 ILE CB . 11102 1 936 . 1 1 80 80 ILE CD1 C 13 14.377 0.300 . 1 . . . . 80 ILE CD1 . 11102 1 937 . 1 1 80 80 ILE CG1 C 13 28.894 0.300 . 1 . . . . 80 ILE CG1 . 11102 1 938 . 1 1 80 80 ILE CG2 C 13 18.035 0.300 . 1 . . . . 80 ILE CG2 . 11102 1 939 . 1 1 80 80 ILE N N 15 119.511 0.300 . 1 . . . . 80 ILE N . 11102 1 940 . 1 1 81 81 VAL H H 1 8.905 0.030 . 1 . . . . 81 VAL H . 11102 1 941 . 1 1 81 81 VAL HA H 1 4.060 0.030 . 1 . . . . 81 VAL HA . 11102 1 942 . 1 1 81 81 VAL HB H 1 1.859 0.030 . 1 . . . . 81 VAL HB . 11102 1 943 . 1 1 81 81 VAL HG11 H 1 0.702 0.030 . 1 . . . . 81 VAL HG1 . 11102 1 944 . 1 1 81 81 VAL HG12 H 1 0.702 0.030 . 1 . . . . 81 VAL HG1 . 11102 1 945 . 1 1 81 81 VAL HG13 H 1 0.702 0.030 . 1 . . . . 81 VAL HG1 . 11102 1 946 . 1 1 81 81 VAL HG21 H 1 0.863 0.030 . 1 . . . . 81 VAL HG2 . 11102 1 947 . 1 1 81 81 VAL HG22 H 1 0.863 0.030 . 1 . . . . 81 VAL HG2 . 11102 1 948 . 1 1 81 81 VAL HG23 H 1 0.863 0.030 . 1 . . . . 81 VAL HG2 . 11102 1 949 . 1 1 81 81 VAL C C 13 172.800 0.300 . 1 . . . . 81 VAL C . 11102 1 950 . 1 1 81 81 VAL CA C 13 61.315 0.300 . 1 . . . . 81 VAL CA . 11102 1 951 . 1 1 81 81 VAL CB C 13 35.089 0.300 . 1 . . . . 81 VAL CB . 11102 1 952 . 1 1 81 81 VAL CG1 C 13 20.535 0.300 . 2 . . . . 81 VAL CG1 . 11102 1 953 . 1 1 81 81 VAL CG2 C 13 20.831 0.300 . 2 . . . . 81 VAL CG2 . 11102 1 954 . 1 1 81 81 VAL N N 15 128.945 0.300 . 1 . . . . 81 VAL N . 11102 1 955 . 1 1 82 82 ILE H H 1 8.845 0.030 . 1 . . . . 82 ILE H . 11102 1 956 . 1 1 82 82 ILE HA H 1 4.501 0.030 . 1 . . . . 82 ILE HA . 11102 1 957 . 1 1 82 82 ILE HB H 1 2.110 0.030 . 1 . . . . 82 ILE HB . 11102 1 958 . 1 1 82 82 ILE HD11 H 1 0.481 0.030 . 1 . . . . 82 ILE HD1 . 11102 1 959 . 1 1 82 82 ILE HD12 H 1 0.481 0.030 . 1 . . . . 82 ILE HD1 . 11102 1 960 . 1 1 82 82 ILE HD13 H 1 0.481 0.030 . 1 . . . . 82 ILE HD1 . 11102 1 961 . 1 1 82 82 ILE HG12 H 1 1.607 0.030 . 2 . . . . 82 ILE HG12 . 11102 1 962 . 1 1 82 82 ILE HG13 H 1 0.752 0.030 . 2 . . . . 82 ILE HG13 . 11102 1 963 . 1 1 82 82 ILE HG21 H 1 0.209 0.030 . 1 . . . . 82 ILE HG2 . 11102 1 964 . 1 1 82 82 ILE HG22 H 1 0.209 0.030 . 1 . . . . 82 ILE HG2 . 11102 1 965 . 1 1 82 82 ILE HG23 H 1 0.209 0.030 . 1 . . . . 82 ILE HG2 . 11102 1 966 . 1 1 82 82 ILE C C 13 174.952 0.300 . 1 . . . . 82 ILE C . 11102 1 967 . 1 1 82 82 ILE CA C 13 58.399 0.300 . 1 . . . . 82 ILE CA . 11102 1 968 . 1 1 82 82 ILE CB C 13 35.126 0.300 . 1 . . . . 82 ILE CB . 11102 1 969 . 1 1 82 82 ILE CD1 C 13 9.946 0.300 . 1 . . . . 82 ILE CD1 . 11102 1 970 . 1 1 82 82 ILE CG1 C 13 26.669 0.300 . 1 . . . . 82 ILE CG1 . 11102 1 971 . 1 1 82 82 ILE CG2 C 13 18.416 0.300 . 1 . . . . 82 ILE CG2 . 11102 1 972 . 1 1 82 82 ILE N N 15 128.359 0.300 . 1 . . . . 82 ILE N . 11102 1 973 . 1 1 83 83 ALA H H 1 9.359 0.030 . 1 . . . . 83 ALA H . 11102 1 974 . 1 1 83 83 ALA HA H 1 5.603 0.030 . 1 . . . . 83 ALA HA . 11102 1 975 . 1 1 83 83 ALA HB1 H 1 0.994 0.030 . 1 . . . . 83 ALA HB . 11102 1 976 . 1 1 83 83 ALA HB2 H 1 0.994 0.030 . 1 . . . . 83 ALA HB . 11102 1 977 . 1 1 83 83 ALA HB3 H 1 0.994 0.030 . 1 . . . . 83 ALA HB . 11102 1 978 . 1 1 83 83 ALA C C 13 176.154 0.300 . 1 . . . . 83 ALA C . 11102 1 979 . 1 1 83 83 ALA CA C 13 50.530 0.300 . 1 . . . . 83 ALA CA . 11102 1 980 . 1 1 83 83 ALA CB C 13 23.721 0.300 . 1 . . . . 83 ALA CB . 11102 1 981 . 1 1 83 83 ALA N N 15 128.744 0.300 . 1 . . . . 83 ALA N . 11102 1 982 . 1 1 84 84 LYS H H 1 9.094 0.030 . 1 . . . . 84 LYS H . 11102 1 983 . 1 1 84 84 LYS HA H 1 5.488 0.030 . 1 . . . . 84 LYS HA . 11102 1 984 . 1 1 84 84 LYS HB2 H 1 1.854 0.030 . 2 . . . . 84 LYS HB2 . 11102 1 985 . 1 1 84 84 LYS HB3 H 1 1.565 0.030 . 2 . . . . 84 LYS HB3 . 11102 1 986 . 1 1 84 84 LYS HD2 H 1 1.307 0.030 . 2 . . . . 84 LYS HD2 . 11102 1 987 . 1 1 84 84 LYS HD3 H 1 1.182 0.030 . 2 . . . . 84 LYS HD3 . 11102 1 988 . 1 1 84 84 LYS HE2 H 1 2.637 0.030 . 2 . . . . 84 LYS HE2 . 11102 1 989 . 1 1 84 84 LYS HE3 H 1 2.858 0.030 . 2 . . . . 84 LYS HE3 . 11102 1 990 . 1 1 84 84 LYS HG2 H 1 1.318 0.030 . 2 . . . . 84 LYS HG2 . 11102 1 991 . 1 1 84 84 LYS HG3 H 1 1.502 0.030 . 2 . . . . 84 LYS HG3 . 11102 1 992 . 1 1 84 84 LYS C C 13 171.867 0.300 . 1 . . . . 84 LYS C . 11102 1 993 . 1 1 84 84 LYS CA C 13 54.572 0.300 . 1 . . . . 84 LYS CA . 11102 1 994 . 1 1 84 84 LYS CB C 13 36.581 0.300 . 1 . . . . 84 LYS CB . 11102 1 995 . 1 1 84 84 LYS CD C 13 30.113 0.300 . 1 . . . . 84 LYS CD . 11102 1 996 . 1 1 84 84 LYS CE C 13 42.527 0.300 . 1 . . . . 84 LYS CE . 11102 1 997 . 1 1 84 84 LYS CG C 13 23.496 0.300 . 1 . . . . 84 LYS CG . 11102 1 998 . 1 1 84 84 LYS N N 15 120.513 0.300 . 1 . . . . 84 LYS N . 11102 1 999 . 1 1 85 85 MET H H 1 8.987 0.030 . 1 . . . . 85 MET H . 11102 1 1000 . 1 1 85 85 MET HA H 1 4.823 0.030 . 1 . . . . 85 MET HA . 11102 1 1001 . 1 1 85 85 MET HB2 H 1 1.611 0.030 . 2 . . . . 85 MET HB2 . 11102 1 1002 . 1 1 85 85 MET HB3 H 1 1.770 0.030 . 2 . . . . 85 MET HB3 . 11102 1 1003 . 1 1 85 85 MET HE1 H 1 1.964 0.030 . 1 . . . . 85 MET HE . 11102 1 1004 . 1 1 85 85 MET HE2 H 1 1.964 0.030 . 1 . . . . 85 MET HE . 11102 1 1005 . 1 1 85 85 MET HE3 H 1 1.964 0.030 . 1 . . . . 85 MET HE . 11102 1 1006 . 1 1 85 85 MET HG2 H 1 2.813 0.030 . 2 . . . . 85 MET HG2 . 11102 1 1007 . 1 1 85 85 MET HG3 H 1 1.861 0.030 . 2 . . . . 85 MET HG3 . 11102 1 1008 . 1 1 85 85 MET C C 13 173.575 0.300 . 1 . . . . 85 MET C . 11102 1 1009 . 1 1 85 85 MET CA C 13 55.172 0.300 . 1 . . . . 85 MET CA . 11102 1 1010 . 1 1 85 85 MET CB C 13 39.855 0.300 . 1 . . . . 85 MET CB . 11102 1 1011 . 1 1 85 85 MET CE C 13 20.173 0.300 . 1 . . . . 85 MET CE . 11102 1 1012 . 1 1 85 85 MET CG C 13 33.191 0.300 . 1 . . . . 85 MET CG . 11102 1 1013 . 1 1 85 85 MET N N 15 119.162 0.300 . 1 . . . . 85 MET N . 11102 1 1014 . 1 1 86 86 ASP H H 1 9.167 0.030 . 1 . . . . 86 ASP H . 11102 1 1015 . 1 1 86 86 ASP HA H 1 3.308 0.030 . 1 . . . . 86 ASP HA . 11102 1 1016 . 1 1 86 86 ASP HB2 H 1 2.645 0.030 . 2 . . . . 86 ASP HB2 . 11102 1 1017 . 1 1 86 86 ASP HB3 H 1 2.200 0.030 . 2 . . . . 86 ASP HB3 . 11102 1 1018 . 1 1 86 86 ASP C C 13 177.125 0.300 . 1 . . . . 86 ASP C . 11102 1 1019 . 1 1 86 86 ASP CA C 13 52.688 0.300 . 1 . . . . 86 ASP CA . 11102 1 1020 . 1 1 86 86 ASP CB C 13 38.880 0.300 . 1 . . . . 86 ASP CB . 11102 1 1021 . 1 1 86 86 ASP N N 15 127.392 0.300 . 1 . . . . 86 ASP N . 11102 1 1022 . 1 1 87 87 ALA H H 1 8.698 0.030 . 1 . . . . 87 ALA H . 11102 1 1023 . 1 1 87 87 ALA HA H 1 4.519 0.030 . 1 . . . . 87 ALA HA . 11102 1 1024 . 1 1 87 87 ALA HB1 H 1 1.669 0.030 . 1 . . . . 87 ALA HB . 11102 1 1025 . 1 1 87 87 ALA HB2 H 1 1.669 0.030 . 1 . . . . 87 ALA HB . 11102 1 1026 . 1 1 87 87 ALA HB3 H 1 1.669 0.030 . 1 . . . . 87 ALA HB . 11102 1 1027 . 1 1 87 87 ALA C C 13 176.076 0.300 . 1 . . . . 87 ALA C . 11102 1 1028 . 1 1 87 87 ALA CA C 13 52.542 0.300 . 1 . . . . 87 ALA CA . 11102 1 1029 . 1 1 87 87 ALA CB C 13 19.838 0.300 . 1 . . . . 87 ALA CB . 11102 1 1030 . 1 1 87 87 ALA N N 15 131.966 0.300 . 1 . . . . 87 ALA N . 11102 1 1031 . 1 1 88 88 THR H H 1 9.138 0.030 . 1 . . . . 88 THR H . 11102 1 1032 . 1 1 88 88 THR HA H 1 4.633 0.030 . 1 . . . . 88 THR HA . 11102 1 1033 . 1 1 88 88 THR HB H 1 4.415 0.030 . 1 . . . . 88 THR HB . 11102 1 1034 . 1 1 88 88 THR HG21 H 1 1.070 0.030 . 1 . . . . 88 THR HG2 . 11102 1 1035 . 1 1 88 88 THR HG22 H 1 1.070 0.030 . 1 . . . . 88 THR HG2 . 11102 1 1036 . 1 1 88 88 THR HG23 H 1 1.070 0.030 . 1 . . . . 88 THR HG2 . 11102 1 1037 . 1 1 88 88 THR C C 13 175.241 0.300 . 1 . . . . 88 THR C . 11102 1 1038 . 1 1 88 88 THR CA C 13 62.221 0.300 . 1 . . . . 88 THR CA . 11102 1 1039 . 1 1 88 88 THR CB C 13 69.279 0.300 . 1 . . . . 88 THR CB . 11102 1 1040 . 1 1 88 88 THR CG2 C 13 23.079 0.300 . 1 . . . . 88 THR CG2 . 11102 1 1041 . 1 1 88 88 THR N N 15 110.143 0.300 . 1 . . . . 88 THR N . 11102 1 1042 . 1 1 89 89 ALA H H 1 6.792 0.030 . 1 . . . . 89 ALA H . 11102 1 1043 . 1 1 89 89 ALA HA H 1 4.502 0.030 . 1 . . . . 89 ALA HA . 11102 1 1044 . 1 1 89 89 ALA HB1 H 1 1.213 0.030 . 1 . . . . 89 ALA HB . 11102 1 1045 . 1 1 89 89 ALA HB2 H 1 1.213 0.030 . 1 . . . . 89 ALA HB . 11102 1 1046 . 1 1 89 89 ALA HB3 H 1 1.213 0.030 . 1 . . . . 89 ALA HB . 11102 1 1047 . 1 1 89 89 ALA C C 13 174.848 0.300 . 1 . . . . 89 ALA C . 11102 1 1048 . 1 1 89 89 ALA CA C 13 50.696 0.300 . 1 . . . . 89 ALA CA . 11102 1 1049 . 1 1 89 89 ALA CB C 13 21.399 0.300 . 1 . . . . 89 ALA CB . 11102 1 1050 . 1 1 89 89 ALA N N 15 124.020 0.300 . 1 . . . . 89 ALA N . 11102 1 1051 . 1 1 90 90 ASN H H 1 7.032 0.030 . 1 . . . . 90 ASN H . 11102 1 1052 . 1 1 90 90 ASN HA H 1 4.962 0.030 . 1 . . . . 90 ASN HA . 11102 1 1053 . 1 1 90 90 ASN HB2 H 1 2.456 0.030 . 1 . . . . 90 ASN HB2 . 11102 1 1054 . 1 1 90 90 ASN HB3 H 1 2.456 0.030 . 1 . . . . 90 ASN HB3 . 11102 1 1055 . 1 1 90 90 ASN HD21 H 1 8.957 0.030 . 2 . . . . 90 ASN HD21 . 11102 1 1056 . 1 1 90 90 ASN HD22 H 1 8.537 0.030 . 2 . . . . 90 ASN HD22 . 11102 1 1057 . 1 1 90 90 ASN C C 13 173.756 0.300 . 1 . . . . 90 ASN C . 11102 1 1058 . 1 1 90 90 ASN CA C 13 51.761 0.300 . 1 . . . . 90 ASN CA . 11102 1 1059 . 1 1 90 90 ASN CB C 13 46.462 0.300 . 1 . . . . 90 ASN CB . 11102 1 1060 . 1 1 90 90 ASN N N 15 114.133 0.300 . 1 . . . . 90 ASN N . 11102 1 1061 . 1 1 90 90 ASN ND2 N 15 122.451 0.300 . 1 . . . . 90 ASN ND2 . 11102 1 1062 . 1 1 91 91 ASP H H 1 8.175 0.030 . 1 . . . . 91 ASP H . 11102 1 1063 . 1 1 91 91 ASP HA H 1 4.462 0.030 . 1 . . . . 91 ASP HA . 11102 1 1064 . 1 1 91 91 ASP HB2 H 1 2.529 0.030 . 2 . . . . 91 ASP HB2 . 11102 1 1065 . 1 1 91 91 ASP HB3 H 1 2.466 0.030 . 2 . . . . 91 ASP HB3 . 11102 1 1066 . 1 1 91 91 ASP C C 13 174.882 0.300 . 1 . . . . 91 ASP C . 11102 1 1067 . 1 1 91 91 ASP CA C 13 55.054 0.300 . 1 . . . . 91 ASP CA . 11102 1 1068 . 1 1 91 91 ASP CB C 13 41.518 0.300 . 1 . . . . 91 ASP CB . 11102 1 1069 . 1 1 91 91 ASP N N 15 121.608 0.300 . 1 . . . . 91 ASP N . 11102 1 1070 . 1 1 92 92 VAL H H 1 8.334 0.030 . 1 . . . . 92 VAL H . 11102 1 1071 . 1 1 92 92 VAL HA H 1 3.872 0.030 . 1 . . . . 92 VAL HA . 11102 1 1072 . 1 1 92 92 VAL HB H 1 1.776 0.030 . 1 . . . . 92 VAL HB . 11102 1 1073 . 1 1 92 92 VAL HG11 H 1 0.303 0.030 . 1 . . . . 92 VAL HG1 . 11102 1 1074 . 1 1 92 92 VAL HG12 H 1 0.303 0.030 . 1 . . . . 92 VAL HG1 . 11102 1 1075 . 1 1 92 92 VAL HG13 H 1 0.303 0.030 . 1 . . . . 92 VAL HG1 . 11102 1 1076 . 1 1 92 92 VAL HG21 H 1 0.808 0.030 . 1 . . . . 92 VAL HG2 . 11102 1 1077 . 1 1 92 92 VAL HG22 H 1 0.808 0.030 . 1 . . . . 92 VAL HG2 . 11102 1 1078 . 1 1 92 92 VAL HG23 H 1 0.808 0.030 . 1 . . . . 92 VAL HG2 . 11102 1 1079 . 1 1 92 92 VAL C C 13 174.821 0.300 . 1 . . . . 92 VAL C . 11102 1 1080 . 1 1 92 92 VAL CA C 13 59.292 0.300 . 1 . . . . 92 VAL CA . 11102 1 1081 . 1 1 92 92 VAL CB C 13 32.833 0.300 . 1 . . . . 92 VAL CB . 11102 1 1082 . 1 1 92 92 VAL CG1 C 13 21.559 0.300 . 2 . . . . 92 VAL CG1 . 11102 1 1083 . 1 1 92 92 VAL CG2 C 13 21.204 0.300 . 2 . . . . 92 VAL CG2 . 11102 1 1084 . 1 1 92 92 VAL N N 15 123.979 0.300 . 1 . . . . 92 VAL N . 11102 1 1085 . 1 1 93 93 PRO HA H 1 4.401 0.030 . 1 . . . . 93 PRO HA . 11102 1 1086 . 1 1 93 93 PRO HB2 H 1 1.883 0.030 . 2 . . . . 93 PRO HB2 . 11102 1 1087 . 1 1 93 93 PRO HB3 H 1 1.706 0.030 . 2 . . . . 93 PRO HB3 . 11102 1 1088 . 1 1 93 93 PRO HD2 H 1 3.219 0.030 . 2 . . . . 93 PRO HD2 . 11102 1 1089 . 1 1 93 93 PRO HD3 H 1 2.493 0.030 . 2 . . . . 93 PRO HD3 . 11102 1 1090 . 1 1 93 93 PRO HG2 H 1 0.924 0.030 . 2 . . . . 93 PRO HG2 . 11102 1 1091 . 1 1 93 93 PRO HG3 H 1 0.641 0.030 . 2 . . . . 93 PRO HG3 . 11102 1 1092 . 1 1 93 93 PRO C C 13 176.078 0.300 . 1 . . . . 93 PRO C . 11102 1 1093 . 1 1 93 93 PRO CA C 13 62.394 0.300 . 1 . . . . 93 PRO CA . 11102 1 1094 . 1 1 93 93 PRO CB C 13 31.940 0.300 . 1 . . . . 93 PRO CB . 11102 1 1095 . 1 1 93 93 PRO CD C 13 50.534 0.300 . 1 . . . . 93 PRO CD . 11102 1 1096 . 1 1 93 93 PRO CG C 13 25.989 0.300 . 1 . . . . 93 PRO CG . 11102 1 1097 . 1 1 94 94 SER H H 1 8.266 0.030 . 1 . . . . 94 SER H . 11102 1 1098 . 1 1 94 94 SER HA H 1 4.513 0.030 . 1 . . . . 94 SER HA . 11102 1 1099 . 1 1 94 94 SER HB2 H 1 3.773 0.030 . 2 . . . . 94 SER HB2 . 11102 1 1100 . 1 1 94 94 SER HB3 H 1 3.864 0.030 . 2 . . . . 94 SER HB3 . 11102 1 1101 . 1 1 94 94 SER C C 13 174.213 0.300 . 1 . . . . 94 SER C . 11102 1 1102 . 1 1 94 94 SER CA C 13 57.237 0.300 . 1 . . . . 94 SER CA . 11102 1 1103 . 1 1 94 94 SER CB C 13 62.825 0.300 . 1 . . . . 94 SER CB . 11102 1 1104 . 1 1 94 94 SER N N 15 115.062 0.300 . 1 . . . . 94 SER N . 11102 1 1105 . 1 1 95 95 PRO HA H 1 4.855 0.030 . 1 . . . . 95 PRO HA . 11102 1 1106 . 1 1 95 95 PRO HB2 H 1 2.313 0.030 . 2 . . . . 95 PRO HB2 . 11102 1 1107 . 1 1 95 95 PRO HB3 H 1 1.965 0.030 . 2 . . . . 95 PRO HB3 . 11102 1 1108 . 1 1 95 95 PRO HD2 H 1 3.500 0.030 . 2 . . . . 95 PRO HD2 . 11102 1 1109 . 1 1 95 95 PRO HD3 H 1 3.144 0.030 . 2 . . . . 95 PRO HD3 . 11102 1 1110 . 1 1 95 95 PRO HG2 H 1 1.779 0.030 . 2 . . . . 95 PRO HG2 . 11102 1 1111 . 1 1 95 95 PRO HG3 H 1 0.801 0.030 . 2 . . . . 95 PRO HG3 . 11102 1 1112 . 1 1 95 95 PRO C C 13 175.226 0.300 . 1 . . . . 95 PRO C . 11102 1 1113 . 1 1 95 95 PRO CA C 13 63.520 0.300 . 1 . . . . 95 PRO CA . 11102 1 1114 . 1 1 95 95 PRO CB C 13 32.639 0.300 . 1 . . . . 95 PRO CB . 11102 1 1115 . 1 1 95 95 PRO CD C 13 49.129 0.300 . 1 . . . . 95 PRO CD . 11102 1 1116 . 1 1 95 95 PRO CG C 13 23.897 0.300 . 1 . . . . 95 PRO CG . 11102 1 1117 . 1 1 96 96 TYR H H 1 8.317 0.030 . 1 . . . . 96 TYR H . 11102 1 1118 . 1 1 96 96 TYR HA H 1 3.197 0.030 . 1 . . . . 96 TYR HA . 11102 1 1119 . 1 1 96 96 TYR HB2 H 1 2.894 0.030 . 2 . . . . 96 TYR HB2 . 11102 1 1120 . 1 1 96 96 TYR HB3 H 1 1.784 0.030 . 2 . . . . 96 TYR HB3 . 11102 1 1121 . 1 1 96 96 TYR HD1 H 1 6.230 0.030 . 1 . . . . 96 TYR HD1 . 11102 1 1122 . 1 1 96 96 TYR HD2 H 1 6.230 0.030 . 1 . . . . 96 TYR HD2 . 11102 1 1123 . 1 1 96 96 TYR HE1 H 1 6.645 0.030 . 1 . . . . 96 TYR HE1 . 11102 1 1124 . 1 1 96 96 TYR HE2 H 1 6.645 0.030 . 1 . . . . 96 TYR HE2 . 11102 1 1125 . 1 1 96 96 TYR C C 13 174.213 0.300 . 1 . . . . 96 TYR C . 11102 1 1126 . 1 1 96 96 TYR CA C 13 60.452 0.300 . 1 . . . . 96 TYR CA . 11102 1 1127 . 1 1 96 96 TYR CB C 13 37.795 0.300 . 1 . . . . 96 TYR CB . 11102 1 1128 . 1 1 96 96 TYR CD1 C 13 132.735 0.300 . 1 . . . . 96 TYR CD1 . 11102 1 1129 . 1 1 96 96 TYR CD2 C 13 132.735 0.300 . 1 . . . . 96 TYR CD2 . 11102 1 1130 . 1 1 96 96 TYR CE1 C 13 117.447 0.300 . 1 . . . . 96 TYR CE1 . 11102 1 1131 . 1 1 96 96 TYR CE2 C 13 117.447 0.300 . 1 . . . . 96 TYR CE2 . 11102 1 1132 . 1 1 96 96 TYR N N 15 125.861 0.300 . 1 . . . . 96 TYR N . 11102 1 1133 . 1 1 97 97 GLU H H 1 7.800 0.030 . 1 . . . . 97 GLU H . 11102 1 1134 . 1 1 97 97 GLU HA H 1 4.368 0.030 . 1 . . . . 97 GLU HA . 11102 1 1135 . 1 1 97 97 GLU HB2 H 1 1.892 0.030 . 2 . . . . 97 GLU HB2 . 11102 1 1136 . 1 1 97 97 GLU HG2 H 1 2.164 0.030 . 2 . . . . 97 GLU HG2 . 11102 1 1137 . 1 1 97 97 GLU HG3 H 1 1.990 0.030 . 2 . . . . 97 GLU HG3 . 11102 1 1138 . 1 1 97 97 GLU C C 13 174.699 0.300 . 1 . . . . 97 GLU C . 11102 1 1139 . 1 1 97 97 GLU CA C 13 55.243 0.300 . 1 . . . . 97 GLU CA . 11102 1 1140 . 1 1 97 97 GLU CB C 13 32.296 0.300 . 1 . . . . 97 GLU CB . 11102 1 1141 . 1 1 97 97 GLU CG C 13 36.153 0.300 . 1 . . . . 97 GLU CG . 11102 1 1142 . 1 1 97 97 GLU N N 15 120.983 0.300 . 1 . . . . 97 GLU N . 11102 1 1143 . 1 1 98 98 VAL H H 1 8.765 0.030 . 1 . . . . 98 VAL H . 11102 1 1144 . 1 1 98 98 VAL HA H 1 4.066 0.030 . 1 . . . . 98 VAL HA . 11102 1 1145 . 1 1 98 98 VAL HB H 1 1.855 0.030 . 1 . . . . 98 VAL HB . 11102 1 1146 . 1 1 98 98 VAL HG11 H 1 0.591 0.030 . 1 . . . . 98 VAL HG1 . 11102 1 1147 . 1 1 98 98 VAL HG12 H 1 0.591 0.030 . 1 . . . . 98 VAL HG1 . 11102 1 1148 . 1 1 98 98 VAL HG13 H 1 0.591 0.030 . 1 . . . . 98 VAL HG1 . 11102 1 1149 . 1 1 98 98 VAL HG21 H 1 0.372 0.030 . 1 . . . . 98 VAL HG2 . 11102 1 1150 . 1 1 98 98 VAL HG22 H 1 0.372 0.030 . 1 . . . . 98 VAL HG2 . 11102 1 1151 . 1 1 98 98 VAL HG23 H 1 0.372 0.030 . 1 . . . . 98 VAL HG2 . 11102 1 1152 . 1 1 98 98 VAL C C 13 174.943 0.300 . 1 . . . . 98 VAL C . 11102 1 1153 . 1 1 98 98 VAL CA C 13 61.925 0.300 . 1 . . . . 98 VAL CA . 11102 1 1154 . 1 1 98 98 VAL CB C 13 32.326 0.300 . 1 . . . . 98 VAL CB . 11102 1 1155 . 1 1 98 98 VAL CG1 C 13 22.009 0.300 . 2 . . . . 98 VAL CG1 . 11102 1 1156 . 1 1 98 98 VAL CG2 C 13 22.236 0.300 . 2 . . . . 98 VAL CG2 . 11102 1 1157 . 1 1 98 98 VAL N N 15 125.723 0.300 . 1 . . . . 98 VAL N . 11102 1 1158 . 1 1 99 99 ARG HA H 1 4.389 0.030 . 1 . . . . 99 ARG HA . 11102 1 1159 . 1 1 99 99 ARG HB2 H 1 1.863 0.030 . 2 . . . . 99 ARG HB2 . 11102 1 1160 . 1 1 99 99 ARG HB3 H 1 1.546 0.030 . 2 . . . . 99 ARG HB3 . 11102 1 1161 . 1 1 99 99 ARG HD2 H 1 3.137 0.030 . 2 . . . . 99 ARG HD2 . 11102 1 1162 . 1 1 99 99 ARG HD3 H 1 3.093 0.030 . 2 . . . . 99 ARG HD3 . 11102 1 1163 . 1 1 99 99 ARG HG2 H 1 1.486 0.030 . 2 . . . . 99 ARG HG2 . 11102 1 1164 . 1 1 99 99 ARG HG3 H 1 1.424 0.030 . 2 . . . . 99 ARG HG3 . 11102 1 1165 . 1 1 99 99 ARG C C 13 175.106 0.300 . 1 . . . . 99 ARG C . 11102 1 1166 . 1 1 99 99 ARG CA C 13 54.867 0.300 . 1 . . . . 99 ARG CA . 11102 1 1167 . 1 1 99 99 ARG CB C 13 30.485 0.300 . 1 . . . . 99 ARG CB . 11102 1 1168 . 1 1 99 99 ARG CD C 13 43.082 0.300 . 1 . . . . 99 ARG CD . 11102 1 1169 . 1 1 99 99 ARG CG C 13 27.202 0.300 . 1 . . . . 99 ARG CG . 11102 1 1170 . 1 1 100 100 GLY H H 1 7.315 0.030 . 1 . . . . 100 GLY H . 11102 1 1171 . 1 1 100 100 GLY HA2 H 1 3.849 0.030 . 2 . . . . 100 GLY HA2 . 11102 1 1172 . 1 1 100 100 GLY HA3 H 1 3.494 0.030 . 2 . . . . 100 GLY HA3 . 11102 1 1173 . 1 1 100 100 GLY C C 13 170.794 0.300 . 1 . . . . 100 GLY C . 11102 1 1174 . 1 1 100 100 GLY CA C 13 43.645 0.300 . 1 . . . . 100 GLY CA . 11102 1 1175 . 1 1 100 100 GLY N N 15 108.598 0.300 . 1 . . . . 100 GLY N . 11102 1 1176 . 1 1 101 101 PHE H H 1 8.505 0.030 . 1 . . . . 101 PHE H . 11102 1 1177 . 1 1 101 101 PHE HA H 1 5.120 0.030 . 1 . . . . 101 PHE HA . 11102 1 1178 . 1 1 101 101 PHE HB2 H 1 3.144 0.030 . 2 . . . . 101 PHE HB2 . 11102 1 1179 . 1 1 101 101 PHE HB3 H 1 2.830 0.030 . 2 . . . . 101 PHE HB3 . 11102 1 1180 . 1 1 101 101 PHE HD1 H 1 7.056 0.030 . 1 . . . . 101 PHE HD1 . 11102 1 1181 . 1 1 101 101 PHE HD2 H 1 7.056 0.030 . 1 . . . . 101 PHE HD2 . 11102 1 1182 . 1 1 101 101 PHE HE1 H 1 7.153 0.030 . 1 . . . . 101 PHE HE1 . 11102 1 1183 . 1 1 101 101 PHE HE2 H 1 7.153 0.030 . 1 . . . . 101 PHE HE2 . 11102 1 1184 . 1 1 101 101 PHE HZ H 1 7.118 0.030 . 1 . . . . 101 PHE HZ . 11102 1 1185 . 1 1 101 101 PHE C C 13 173.594 0.300 . 1 . . . . 101 PHE C . 11102 1 1186 . 1 1 101 101 PHE CA C 13 54.554 0.300 . 1 . . . . 101 PHE CA . 11102 1 1187 . 1 1 101 101 PHE CB C 13 42.259 0.300 . 1 . . . . 101 PHE CB . 11102 1 1188 . 1 1 101 101 PHE CD1 C 13 131.886 0.300 . 1 . . . . 101 PHE CD1 . 11102 1 1189 . 1 1 101 101 PHE CD2 C 13 131.886 0.300 . 1 . . . . 101 PHE CD2 . 11102 1 1190 . 1 1 101 101 PHE CE1 C 13 131.028 0.300 . 1 . . . . 101 PHE CE1 . 11102 1 1191 . 1 1 101 101 PHE CE2 C 13 131.028 0.300 . 1 . . . . 101 PHE CE2 . 11102 1 1192 . 1 1 101 101 PHE CZ C 13 129.134 0.300 . 1 . . . . 101 PHE CZ . 11102 1 1193 . 1 1 101 101 PHE N N 15 116.568 0.300 . 1 . . . . 101 PHE N . 11102 1 1194 . 1 1 102 102 PRO HA H 1 5.266 0.030 . 1 . . . . 102 PRO HA . 11102 1 1195 . 1 1 102 102 PRO HB2 H 1 2.933 0.030 . 2 . . . . 102 PRO HB2 . 11102 1 1196 . 1 1 102 102 PRO HB3 H 1 1.798 0.030 . 2 . . . . 102 PRO HB3 . 11102 1 1197 . 1 1 102 102 PRO HD2 H 1 3.814 0.030 . 2 . . . . 102 PRO HD2 . 11102 1 1198 . 1 1 102 102 PRO HD3 H 1 3.428 0.030 . 2 . . . . 102 PRO HD3 . 11102 1 1199 . 1 1 102 102 PRO HG2 H 1 1.916 0.030 . 1 . . . . 102 PRO HG2 . 11102 1 1200 . 1 1 102 102 PRO HG3 H 1 1.916 0.030 . 1 . . . . 102 PRO HG3 . 11102 1 1201 . 1 1 102 102 PRO C C 13 177.639 0.300 . 1 . . . . 102 PRO C . 11102 1 1202 . 1 1 102 102 PRO CA C 13 63.514 0.300 . 1 . . . . 102 PRO CA . 11102 1 1203 . 1 1 102 102 PRO CB C 13 34.549 0.300 . 1 . . . . 102 PRO CB . 11102 1 1204 . 1 1 102 102 PRO CD C 13 49.671 0.300 . 1 . . . . 102 PRO CD . 11102 1 1205 . 1 1 102 102 PRO CG C 13 24.465 0.300 . 1 . . . . 102 PRO CG . 11102 1 1206 . 1 1 103 103 THR H H 1 8.931 0.030 . 1 . . . . 103 THR H . 11102 1 1207 . 1 1 103 103 THR HA H 1 4.663 0.030 . 1 . . . . 103 THR HA . 11102 1 1208 . 1 1 103 103 THR HB H 1 4.344 0.030 . 1 . . . . 103 THR HB . 11102 1 1209 . 1 1 103 103 THR HG21 H 1 1.709 0.030 . 1 . . . . 103 THR HG2 . 11102 1 1210 . 1 1 103 103 THR HG22 H 1 1.709 0.030 . 1 . . . . 103 THR HG2 . 11102 1 1211 . 1 1 103 103 THR HG23 H 1 1.709 0.030 . 1 . . . . 103 THR HG2 . 11102 1 1212 . 1 1 103 103 THR C C 13 172.284 0.300 . 1 . . . . 103 THR C . 11102 1 1213 . 1 1 103 103 THR CA C 13 63.997 0.300 . 1 . . . . 103 THR CA . 11102 1 1214 . 1 1 103 103 THR CB C 13 72.267 0.300 . 1 . . . . 103 THR CB . 11102 1 1215 . 1 1 103 103 THR CG2 C 13 22.245 0.300 . 1 . . . . 103 THR CG2 . 11102 1 1216 . 1 1 103 103 THR N N 15 117.258 0.300 . 1 . . . . 103 THR N . 11102 1 1217 . 1 1 104 104 ILE H H 1 9.869 0.030 . 1 . . . . 104 ILE H . 11102 1 1218 . 1 1 104 104 ILE HA H 1 5.484 0.030 . 1 . . . . 104 ILE HA . 11102 1 1219 . 1 1 104 104 ILE HB H 1 1.910 0.030 . 1 . . . . 104 ILE HB . 11102 1 1220 . 1 1 104 104 ILE HD11 H 1 0.953 0.030 . 1 . . . . 104 ILE HD1 . 11102 1 1221 . 1 1 104 104 ILE HD12 H 1 0.953 0.030 . 1 . . . . 104 ILE HD1 . 11102 1 1222 . 1 1 104 104 ILE HD13 H 1 0.953 0.030 . 1 . . . . 104 ILE HD1 . 11102 1 1223 . 1 1 104 104 ILE HG12 H 1 0.779 0.030 . 2 . . . . 104 ILE HG12 . 11102 1 1224 . 1 1 104 104 ILE HG13 H 1 1.631 0.030 . 2 . . . . 104 ILE HG13 . 11102 1 1225 . 1 1 104 104 ILE HG21 H 1 0.822 0.030 . 1 . . . . 104 ILE HG2 . 11102 1 1226 . 1 1 104 104 ILE HG22 H 1 0.822 0.030 . 1 . . . . 104 ILE HG2 . 11102 1 1227 . 1 1 104 104 ILE HG23 H 1 0.822 0.030 . 1 . . . . 104 ILE HG2 . 11102 1 1228 . 1 1 104 104 ILE C C 13 174.208 0.300 . 1 . . . . 104 ILE C . 11102 1 1229 . 1 1 104 104 ILE CA C 13 60.025 0.300 . 1 . . . . 104 ILE CA . 11102 1 1230 . 1 1 104 104 ILE CB C 13 40.778 0.300 . 1 . . . . 104 ILE CB . 11102 1 1231 . 1 1 104 104 ILE CD1 C 13 14.052 0.300 . 1 . . . . 104 ILE CD1 . 11102 1 1232 . 1 1 104 104 ILE CG1 C 13 28.741 0.300 . 1 . . . . 104 ILE CG1 . 11102 1 1233 . 1 1 104 104 ILE CG2 C 13 17.694 0.300 . 1 . . . . 104 ILE CG2 . 11102 1 1234 . 1 1 104 104 ILE N N 15 130.136 0.300 . 1 . . . . 104 ILE N . 11102 1 1235 . 1 1 105 105 TYR H H 1 9.499 0.030 . 1 . . . . 105 TYR H . 11102 1 1236 . 1 1 105 105 TYR HA H 1 5.620 0.030 . 1 . . . . 105 TYR HA . 11102 1 1237 . 1 1 105 105 TYR HB2 H 1 3.246 0.030 . 2 . . . . 105 TYR HB2 . 11102 1 1238 . 1 1 105 105 TYR HB3 H 1 3.036 0.030 . 2 . . . . 105 TYR HB3 . 11102 1 1239 . 1 1 105 105 TYR HD1 H 1 7.100 0.030 . 1 . . . . 105 TYR HD1 . 11102 1 1240 . 1 1 105 105 TYR HD2 H 1 7.100 0.030 . 1 . . . . 105 TYR HD2 . 11102 1 1241 . 1 1 105 105 TYR HE1 H 1 6.926 0.030 . 1 . . . . 105 TYR HE1 . 11102 1 1242 . 1 1 105 105 TYR HE2 H 1 6.926 0.030 . 1 . . . . 105 TYR HE2 . 11102 1 1243 . 1 1 105 105 TYR C C 13 173.749 0.300 . 1 . . . . 105 TYR C . 11102 1 1244 . 1 1 105 105 TYR CA C 13 56.396 0.300 . 1 . . . . 105 TYR CA . 11102 1 1245 . 1 1 105 105 TYR CB C 13 46.179 0.300 . 1 . . . . 105 TYR CB . 11102 1 1246 . 1 1 105 105 TYR CD1 C 13 133.389 0.300 . 1 . . . . 105 TYR CD1 . 11102 1 1247 . 1 1 105 105 TYR CD2 C 13 133.389 0.300 . 1 . . . . 105 TYR CD2 . 11102 1 1248 . 1 1 105 105 TYR CE1 C 13 118.385 0.300 . 1 . . . . 105 TYR CE1 . 11102 1 1249 . 1 1 105 105 TYR CE2 C 13 118.385 0.300 . 1 . . . . 105 TYR CE2 . 11102 1 1250 . 1 1 105 105 TYR N N 15 126.058 0.300 . 1 . . . . 105 TYR N . 11102 1 1251 . 1 1 106 106 PHE H H 1 10.123 0.030 . 1 . . . . 106 PHE H . 11102 1 1252 . 1 1 106 106 PHE HA H 1 5.700 0.030 . 1 . . . . 106 PHE HA . 11102 1 1253 . 1 1 106 106 PHE HB2 H 1 3.442 0.030 . 2 . . . . 106 PHE HB2 . 11102 1 1254 . 1 1 106 106 PHE HB3 H 1 3.207 0.030 . 2 . . . . 106 PHE HB3 . 11102 1 1255 . 1 1 106 106 PHE HD1 H 1 7.186 0.030 . 1 . . . . 106 PHE HD1 . 11102 1 1256 . 1 1 106 106 PHE HD2 H 1 7.186 0.030 . 1 . . . . 106 PHE HD2 . 11102 1 1257 . 1 1 106 106 PHE HE1 H 1 7.147 0.030 . 1 . . . . 106 PHE HE1 . 11102 1 1258 . 1 1 106 106 PHE HE2 H 1 7.147 0.030 . 1 . . . . 106 PHE HE2 . 11102 1 1259 . 1 1 106 106 PHE HZ H 1 7.135 0.030 . 1 . . . . 106 PHE HZ . 11102 1 1260 . 1 1 106 106 PHE C C 13 173.712 0.300 . 1 . . . . 106 PHE C . 11102 1 1261 . 1 1 106 106 PHE CA C 13 55.854 0.300 . 1 . . . . 106 PHE CA . 11102 1 1262 . 1 1 106 106 PHE CB C 13 43.416 0.300 . 1 . . . . 106 PHE CB . 11102 1 1263 . 1 1 106 106 PHE CD1 C 13 131.570 0.300 . 1 . . . . 106 PHE CD1 . 11102 1 1264 . 1 1 106 106 PHE CD2 C 13 131.570 0.300 . 1 . . . . 106 PHE CD2 . 11102 1 1265 . 1 1 106 106 PHE CE1 C 13 131.279 0.300 . 1 . . . . 106 PHE CE1 . 11102 1 1266 . 1 1 106 106 PHE CE2 C 13 131.279 0.300 . 1 . . . . 106 PHE CE2 . 11102 1 1267 . 1 1 106 106 PHE CZ C 13 128.889 0.300 . 1 . . . . 106 PHE CZ . 11102 1 1268 . 1 1 106 106 PHE N N 15 120.547 0.300 . 1 . . . . 106 PHE N . 11102 1 1269 . 1 1 107 107 SER H H 1 9.626 0.030 . 1 . . . . 107 SER H . 11102 1 1270 . 1 1 107 107 SER HA H 1 4.904 0.030 . 1 . . . . 107 SER HA . 11102 1 1271 . 1 1 107 107 SER HB2 H 1 3.810 0.030 . 2 . . . . 107 SER HB2 . 11102 1 1272 . 1 1 107 107 SER HB3 H 1 3.970 0.030 . 2 . . . . 107 SER HB3 . 11102 1 1273 . 1 1 107 107 SER C C 13 173.750 0.300 . 1 . . . . 107 SER C . 11102 1 1274 . 1 1 107 107 SER CA C 13 53.638 0.300 . 1 . . . . 107 SER CA . 11102 1 1275 . 1 1 107 107 SER CB C 13 61.966 0.300 . 1 . . . . 107 SER CB . 11102 1 1276 . 1 1 107 107 SER N N 15 124.489 0.300 . 1 . . . . 107 SER N . 11102 1 1277 . 1 1 108 108 PRO HA H 1 4.103 0.030 . 1 . . . . 108 PRO HA . 11102 1 1278 . 1 1 108 108 PRO HB2 H 1 2.524 0.030 . 2 . . . . 108 PRO HB2 . 11102 1 1279 . 1 1 108 108 PRO HB3 H 1 1.743 0.030 . 2 . . . . 108 PRO HB3 . 11102 1 1280 . 1 1 108 108 PRO HD2 H 1 3.461 0.030 . 2 . . . . 108 PRO HD2 . 11102 1 1281 . 1 1 108 108 PRO HD3 H 1 4.353 0.030 . 2 . . . . 108 PRO HD3 . 11102 1 1282 . 1 1 108 108 PRO HG2 H 1 2.002 0.030 . 1 . . . . 108 PRO HG2 . 11102 1 1283 . 1 1 108 108 PRO HG3 H 1 2.002 0.030 . 1 . . . . 108 PRO HG3 . 11102 1 1284 . 1 1 108 108 PRO C C 13 176.706 0.300 . 1 . . . . 108 PRO C . 11102 1 1285 . 1 1 108 108 PRO CA C 13 61.746 0.300 . 1 . . . . 108 PRO CA . 11102 1 1286 . 1 1 108 108 PRO CB C 13 32.095 0.300 . 1 . . . . 108 PRO CB . 11102 1 1287 . 1 1 108 108 PRO CD C 13 50.848 0.300 . 1 . . . . 108 PRO CD . 11102 1 1288 . 1 1 108 108 PRO CG C 13 26.882 0.300 . 1 . . . . 108 PRO CG . 11102 1 1289 . 1 1 109 109 ALA H H 1 9.297 0.030 . 1 . . . . 109 ALA H . 11102 1 1290 . 1 1 109 109 ALA HA H 1 3.743 0.030 . 1 . . . . 109 ALA HA . 11102 1 1291 . 1 1 109 109 ALA HB1 H 1 1.107 0.030 . 1 . . . . 109 ALA HB . 11102 1 1292 . 1 1 109 109 ALA HB2 H 1 1.107 0.030 . 1 . . . . 109 ALA HB . 11102 1 1293 . 1 1 109 109 ALA HB3 H 1 1.107 0.030 . 1 . . . . 109 ALA HB . 11102 1 1294 . 1 1 109 109 ALA CA C 13 54.407 0.300 . 1 . . . . 109 ALA CA . 11102 1 1295 . 1 1 109 109 ALA CB C 13 18.266 0.300 . 1 . . . . 109 ALA CB . 11102 1 1296 . 1 1 109 109 ALA N N 15 125.750 0.300 . 1 . . . . 109 ALA N . 11102 1 1297 . 1 1 110 110 ASN H H 1 8.572 0.030 . 1 . . . . 110 ASN H . 11102 1 1298 . 1 1 110 110 ASN HA H 1 4.637 0.030 . 1 . . . . 110 ASN HA . 11102 1 1299 . 1 1 110 110 ASN HB2 H 1 3.023 0.030 . 2 . . . . 110 ASN HB2 . 11102 1 1300 . 1 1 110 110 ASN HB3 H 1 2.956 0.030 . 2 . . . . 110 ASN HB3 . 11102 1 1301 . 1 1 110 110 ASN HD21 H 1 7.625 0.030 . 2 . . . . 110 ASN HD21 . 11102 1 1302 . 1 1 110 110 ASN HD22 H 1 6.950 0.030 . 2 . . . . 110 ASN HD22 . 11102 1 1303 . 1 1 110 110 ASN C C 13 175.409 0.300 . 1 . . . . 110 ASN C . 11102 1 1304 . 1 1 110 110 ASN CA C 13 54.346 0.300 . 1 . . . . 110 ASN CA . 11102 1 1305 . 1 1 110 110 ASN CB C 13 38.683 0.300 . 1 . . . . 110 ASN CB . 11102 1 1306 . 1 1 110 110 ASN ND2 N 15 112.550 0.300 . 1 . . . . 110 ASN ND2 . 11102 1 1307 . 1 1 111 111 LYS H H 1 7.638 0.030 . 1 . . . . 111 LYS H . 11102 1 1308 . 1 1 111 111 LYS HA H 1 4.969 0.030 . 1 . . . . 111 LYS HA . 11102 1 1309 . 1 1 111 111 LYS HB2 H 1 2.069 0.030 . 2 . . . . 111 LYS HB2 . 11102 1 1310 . 1 1 111 111 LYS HB3 H 1 1.247 0.030 . 2 . . . . 111 LYS HB3 . 11102 1 1311 . 1 1 111 111 LYS HD2 H 1 1.626 0.030 . 2 . . . . 111 LYS HD2 . 11102 1 1312 . 1 1 111 111 LYS HD3 H 1 1.815 0.030 . 2 . . . . 111 LYS HD3 . 11102 1 1313 . 1 1 111 111 LYS HE2 H 1 3.014 0.030 . 2 . . . . 111 LYS HE2 . 11102 1 1314 . 1 1 111 111 LYS HE3 H 1 2.957 0.030 . 2 . . . . 111 LYS HE3 . 11102 1 1315 . 1 1 111 111 LYS HG2 H 1 1.425 0.030 . 2 . . . . 111 LYS HG2 . 11102 1 1316 . 1 1 111 111 LYS HG3 H 1 1.358 0.030 . 2 . . . . 111 LYS HG3 . 11102 1 1317 . 1 1 111 111 LYS C C 13 177.213 0.300 . 1 . . . . 111 LYS C . 11102 1 1318 . 1 1 111 111 LYS CA C 13 54.700 0.300 . 1 . . . . 111 LYS CA . 11102 1 1319 . 1 1 111 111 LYS CB C 13 33.049 0.300 . 1 . . . . 111 LYS CB . 11102 1 1320 . 1 1 111 111 LYS CD C 13 29.523 0.300 . 1 . . . . 111 LYS CD . 11102 1 1321 . 1 1 111 111 LYS CE C 13 42.568 0.300 . 1 . . . . 111 LYS CE . 11102 1 1322 . 1 1 111 111 LYS CG C 13 24.921 0.300 . 1 . . . . 111 LYS CG . 11102 1 1323 . 1 1 111 111 LYS N N 15 122.058 0.300 . 1 . . . . 111 LYS N . 11102 1 1324 . 1 1 112 112 LYS H H 1 8.224 0.030 . 1 . . . . 112 LYS H . 11102 1 1325 . 1 1 112 112 LYS HA H 1 3.968 0.030 . 1 . . . . 112 LYS HA . 11102 1 1326 . 1 1 112 112 LYS HB2 H 1 1.833 0.030 . 1 . . . . 112 LYS HB2 . 11102 1 1327 . 1 1 112 112 LYS HB3 H 1 1.833 0.030 . 1 . . . . 112 LYS HB3 . 11102 1 1328 . 1 1 112 112 LYS HD2 H 1 1.673 0.030 . 2 . . . . 112 LYS HD2 . 11102 1 1329 . 1 1 112 112 LYS HE2 H 1 2.710 0.030 . 2 . . . . 112 LYS HE2 . 11102 1 1330 . 1 1 112 112 LYS HE3 H 1 3.098 0.030 . 2 . . . . 112 LYS HE3 . 11102 1 1331 . 1 1 112 112 LYS HG2 H 1 1.396 0.030 . 2 . . . . 112 LYS HG2 . 11102 1 1332 . 1 1 112 112 LYS HG3 H 1 1.288 0.030 . 2 . . . . 112 LYS HG3 . 11102 1 1333 . 1 1 112 112 LYS C C 13 180.011 0.300 . 1 . . . . 112 LYS C . 11102 1 1334 . 1 1 112 112 LYS CA C 13 55.940 0.300 . 1 . . . . 112 LYS CA . 11102 1 1335 . 1 1 112 112 LYS CB C 13 30.813 0.300 . 1 . . . . 112 LYS CB . 11102 1 1336 . 1 1 112 112 LYS CD C 13 27.231 0.300 . 1 . . . . 112 LYS CD . 11102 1 1337 . 1 1 112 112 LYS CE C 13 44.879 0.300 . 1 . . . . 112 LYS CE . 11102 1 1338 . 1 1 112 112 LYS CG C 13 23.975 0.300 . 1 . . . . 112 LYS CG . 11102 1 1339 . 1 1 112 112 LYS N N 15 115.226 0.300 . 1 . . . . 112 LYS N . 11102 1 1340 . 1 1 113 113 LEU H H 1 8.367 0.030 . 1 . . . . 113 LEU H . 11102 1 1341 . 1 1 113 113 LEU HA H 1 4.252 0.030 . 1 . . . . 113 LEU HA . 11102 1 1342 . 1 1 113 113 LEU HB2 H 1 1.587 0.030 . 2 . . . . 113 LEU HB2 . 11102 1 1343 . 1 1 113 113 LEU HB3 H 1 1.689 0.030 . 2 . . . . 113 LEU HB3 . 11102 1 1344 . 1 1 113 113 LEU HD21 H 1 0.818 0.030 . 1 . . . . 113 LEU HD2 . 11102 1 1345 . 1 1 113 113 LEU HD22 H 1 0.818 0.030 . 1 . . . . 113 LEU HD2 . 11102 1 1346 . 1 1 113 113 LEU HD23 H 1 0.818 0.030 . 1 . . . . 113 LEU HD2 . 11102 1 1347 . 1 1 113 113 LEU C C 13 176.321 0.300 . 1 . . . . 113 LEU C . 11102 1 1348 . 1 1 113 113 LEU CA C 13 55.157 0.300 . 1 . . . . 113 LEU CA . 11102 1 1349 . 1 1 113 113 LEU CB C 13 41.476 0.300 . 1 . . . . 113 LEU CB . 11102 1 1350 . 1 1 113 113 LEU CD1 C 13 24.831 0.300 . 2 . . . . 113 LEU CD1 . 11102 1 1351 . 1 1 113 113 LEU CD2 C 13 22.917 0.300 . 2 . . . . 113 LEU CD2 . 11102 1 1352 . 1 1 113 113 LEU N N 15 117.307 0.300 . 1 . . . . 113 LEU N . 11102 1 1353 . 1 1 114 114 ASN H H 1 7.602 0.030 . 1 . . . . 114 ASN H . 11102 1 1354 . 1 1 114 114 ASN HA H 1 5.180 0.030 . 1 . . . . 114 ASN HA . 11102 1 1355 . 1 1 114 114 ASN HB2 H 1 2.817 0.030 . 2 . . . . 114 ASN HB2 . 11102 1 1356 . 1 1 114 114 ASN HB3 H 1 2.307 0.030 . 2 . . . . 114 ASN HB3 . 11102 1 1357 . 1 1 114 114 ASN HD21 H 1 6.814 0.030 . 2 . . . . 114 ASN HD21 . 11102 1 1358 . 1 1 114 114 ASN HD22 H 1 7.637 0.030 . 2 . . . . 114 ASN HD22 . 11102 1 1359 . 1 1 114 114 ASN CA C 13 51.480 0.300 . 1 . . . . 114 ASN CA . 11102 1 1360 . 1 1 114 114 ASN CB C 13 40.784 0.300 . 1 . . . . 114 ASN CB . 11102 1 1361 . 1 1 114 114 ASN N N 15 116.071 0.300 . 1 . . . . 114 ASN N . 11102 1 1362 . 1 1 114 114 ASN ND2 N 15 112.394 0.300 . 1 . . . . 114 ASN ND2 . 11102 1 1363 . 1 1 115 115 PRO HA H 1 4.876 0.030 . 1 . . . . 115 PRO HA . 11102 1 1364 . 1 1 115 115 PRO HB2 H 1 2.305 0.030 . 2 . . . . 115 PRO HB2 . 11102 1 1365 . 1 1 115 115 PRO HB3 H 1 1.954 0.030 . 2 . . . . 115 PRO HB3 . 11102 1 1366 . 1 1 115 115 PRO HD2 H 1 3.330 0.030 . 2 . . . . 115 PRO HD2 . 11102 1 1367 . 1 1 115 115 PRO HD3 H 1 3.182 0.030 . 2 . . . . 115 PRO HD3 . 11102 1 1368 . 1 1 115 115 PRO HG2 H 1 1.366 0.030 . 2 . . . . 115 PRO HG2 . 11102 1 1369 . 1 1 115 115 PRO HG3 H 1 0.971 0.030 . 2 . . . . 115 PRO HG3 . 11102 1 1370 . 1 1 115 115 PRO C C 13 175.997 0.300 . 1 . . . . 115 PRO C . 11102 1 1371 . 1 1 115 115 PRO CA C 13 63.402 0.300 . 1 . . . . 115 PRO CA . 11102 1 1372 . 1 1 115 115 PRO CB C 13 33.052 0.300 . 1 . . . . 115 PRO CB . 11102 1 1373 . 1 1 115 115 PRO CD C 13 49.426 0.300 . 1 . . . . 115 PRO CD . 11102 1 1374 . 1 1 115 115 PRO CG C 13 26.341 0.300 . 1 . . . . 115 PRO CG . 11102 1 1375 . 1 1 116 116 LYS H H 1 9.381 0.030 . 1 . . . . 116 LYS H . 11102 1 1376 . 1 1 116 116 LYS HA H 1 4.844 0.030 . 1 . . . . 116 LYS HA . 11102 1 1377 . 1 1 116 116 LYS HB2 H 1 2.129 0.030 . 2 . . . . 116 LYS HB2 . 11102 1 1378 . 1 1 116 116 LYS HB3 H 1 2.049 0.030 . 2 . . . . 116 LYS HB3 . 11102 1 1379 . 1 1 116 116 LYS HD2 H 1 1.913 0.030 . 2 . . . . 116 LYS HD2 . 11102 1 1380 . 1 1 116 116 LYS HE2 H 1 3.123 0.030 . 2 . . . . 116 LYS HE2 . 11102 1 1381 . 1 1 116 116 LYS HG2 H 1 1.639 0.030 . 2 . . . . 116 LYS HG2 . 11102 1 1382 . 1 1 116 116 LYS HG3 H 1 1.763 0.030 . 2 . . . . 116 LYS HG3 . 11102 1 1383 . 1 1 116 116 LYS C C 13 175.409 0.300 . 1 . . . . 116 LYS C . 11102 1 1384 . 1 1 116 116 LYS CA C 13 54.995 0.300 . 1 . . . . 116 LYS CA . 11102 1 1385 . 1 1 116 116 LYS CB C 13 35.171 0.300 . 1 . . . . 116 LYS CB . 11102 1 1386 . 1 1 116 116 LYS CD C 13 29.874 0.300 . 1 . . . . 116 LYS CD . 11102 1 1387 . 1 1 116 116 LYS CE C 13 42.260 0.300 . 1 . . . . 116 LYS CE . 11102 1 1388 . 1 1 116 116 LYS CG C 13 24.893 0.300 . 1 . . . . 116 LYS CG . 11102 1 1389 . 1 1 116 116 LYS N N 15 119.263 0.300 . 1 . . . . 116 LYS N . 11102 1 1390 . 1 1 117 117 LYS H H 1 8.911 0.030 . 1 . . . . 117 LYS H . 11102 1 1391 . 1 1 117 117 LYS HA H 1 3.602 0.030 . 1 . . . . 117 LYS HA . 11102 1 1392 . 1 1 117 117 LYS HB2 H 1 1.593 0.030 . 2 . . . . 117 LYS HB2 . 11102 1 1393 . 1 1 117 117 LYS HB3 H 1 1.314 0.030 . 2 . . . . 117 LYS HB3 . 11102 1 1394 . 1 1 117 117 LYS HD2 H 1 1.558 0.030 . 2 . . . . 117 LYS HD2 . 11102 1 1395 . 1 1 117 117 LYS HE2 H 1 2.962 0.030 . 1 . . . . 117 LYS HE2 . 11102 1 1396 . 1 1 117 117 LYS HE3 H 1 2.962 0.030 . 1 . . . . 117 LYS HE3 . 11102 1 1397 . 1 1 117 117 LYS HG2 H 1 0.977 0.030 . 1 . . . . 117 LYS HG2 . 11102 1 1398 . 1 1 117 117 LYS HG3 H 1 0.977 0.030 . 1 . . . . 117 LYS HG3 . 11102 1 1399 . 1 1 117 117 LYS C C 13 176.362 0.300 . 1 . . . . 117 LYS C . 11102 1 1400 . 1 1 117 117 LYS CA C 13 57.296 0.300 . 1 . . . . 117 LYS CA . 11102 1 1401 . 1 1 117 117 LYS CB C 13 32.485 0.300 . 1 . . . . 117 LYS CB . 11102 1 1402 . 1 1 117 117 LYS CD C 13 29.291 0.300 . 1 . . . . 117 LYS CD . 11102 1 1403 . 1 1 117 117 LYS CE C 13 42.123 0.300 . 1 . . . . 117 LYS CE . 11102 1 1404 . 1 1 117 117 LYS CG C 13 25.386 0.300 . 1 . . . . 117 LYS CG . 11102 1 1405 . 1 1 117 117 LYS N N 15 126.173 0.300 . 1 . . . . 117 LYS N . 11102 1 1406 . 1 1 118 118 TYR H H 1 9.155 0.030 . 1 . . . . 118 TYR H . 11102 1 1407 . 1 1 118 118 TYR HA H 1 4.165 0.030 . 1 . . . . 118 TYR HA . 11102 1 1408 . 1 1 118 118 TYR HB2 H 1 2.743 0.030 . 2 . . . . 118 TYR HB2 . 11102 1 1409 . 1 1 118 118 TYR HB3 H 1 2.363 0.030 . 2 . . . . 118 TYR HB3 . 11102 1 1410 . 1 1 118 118 TYR HD1 H 1 6.128 0.030 . 1 . . . . 118 TYR HD1 . 11102 1 1411 . 1 1 118 118 TYR HD2 H 1 6.128 0.030 . 1 . . . . 118 TYR HD2 . 11102 1 1412 . 1 1 118 118 TYR HE1 H 1 6.100 0.030 . 1 . . . . 118 TYR HE1 . 11102 1 1413 . 1 1 118 118 TYR HE2 H 1 6.100 0.030 . 1 . . . . 118 TYR HE2 . 11102 1 1414 . 1 1 118 118 TYR CA C 13 58.624 0.300 . 1 . . . . 118 TYR CA . 11102 1 1415 . 1 1 118 118 TYR CB C 13 38.692 0.300 . 1 . . . . 118 TYR CB . 11102 1 1416 . 1 1 118 118 TYR CD1 C 13 131.956 0.300 . 1 . . . . 118 TYR CD1 . 11102 1 1417 . 1 1 118 118 TYR CD2 C 13 131.956 0.300 . 1 . . . . 118 TYR CD2 . 11102 1 1418 . 1 1 118 118 TYR CE1 C 13 118.150 0.300 . 1 . . . . 118 TYR CE1 . 11102 1 1419 . 1 1 118 118 TYR CE2 C 13 118.150 0.300 . 1 . . . . 118 TYR CE2 . 11102 1 1420 . 1 1 118 118 TYR N N 15 129.720 0.300 . 1 . . . . 118 TYR N . 11102 1 1421 . 1 1 119 119 GLU H H 1 8.060 0.030 . 1 . . . . 119 GLU H . 11102 1 1422 . 1 1 119 119 GLU HA H 1 4.454 0.030 . 1 . . . . 119 GLU HA . 11102 1 1423 . 1 1 119 119 GLU HB2 H 1 2.089 0.030 . 2 . . . . 119 GLU HB2 . 11102 1 1424 . 1 1 119 119 GLU HB3 H 1 1.545 0.030 . 2 . . . . 119 GLU HB3 . 11102 1 1425 . 1 1 119 119 GLU HG2 H 1 2.007 0.030 . 2 . . . . 119 GLU HG2 . 11102 1 1426 . 1 1 119 119 GLU HG3 H 1 1.908 0.030 . 2 . . . . 119 GLU HG3 . 11102 1 1427 . 1 1 119 119 GLU C C 13 175.277 0.300 . 1 . . . . 119 GLU C . 11102 1 1428 . 1 1 119 119 GLU CA C 13 54.759 0.300 . 1 . . . . 119 GLU CA . 11102 1 1429 . 1 1 119 119 GLU CB C 13 30.842 0.300 . 1 . . . . 119 GLU CB . 11102 1 1430 . 1 1 119 119 GLU CG C 13 36.316 0.300 . 1 . . . . 119 GLU CG . 11102 1 1431 . 1 1 119 119 GLU N N 15 128.225 0.300 . 1 . . . . 119 GLU N . 11102 1 1432 . 1 1 120 120 GLY H H 1 5.532 0.030 . 1 . . . . 120 GLY H . 11102 1 1433 . 1 1 120 120 GLY HA2 H 1 3.945 0.030 . 2 . . . . 120 GLY HA2 . 11102 1 1434 . 1 1 120 120 GLY HA3 H 1 3.438 0.030 . 2 . . . . 120 GLY HA3 . 11102 1 1435 . 1 1 120 120 GLY C C 13 173.378 0.300 . 1 . . . . 120 GLY C . 11102 1 1436 . 1 1 120 120 GLY CA C 13 44.097 0.300 . 1 . . . . 120 GLY CA . 11102 1 1437 . 1 1 120 120 GLY N N 15 105.750 0.300 . 1 . . . . 120 GLY N . 11102 1 1438 . 1 1 121 121 GLY H H 1 8.325 0.030 . 1 . . . . 121 GLY H . 11102 1 1439 . 1 1 121 121 GLY HA2 H 1 3.714 0.030 . 2 . . . . 121 GLY HA2 . 11102 1 1440 . 1 1 121 121 GLY HA3 H 1 3.921 0.030 . 2 . . . . 121 GLY HA3 . 11102 1 1441 . 1 1 121 121 GLY C C 13 173.879 0.300 . 1 . . . . 121 GLY C . 11102 1 1442 . 1 1 121 121 GLY CA C 13 44.978 0.300 . 1 . . . . 121 GLY CA . 11102 1 1443 . 1 1 121 121 GLY N N 15 105.037 0.300 . 1 . . . . 121 GLY N . 11102 1 1444 . 1 1 122 122 ARG H H 1 8.435 0.030 . 1 . . . . 122 ARG H . 11102 1 1445 . 1 1 122 122 ARG HA H 1 4.321 0.030 . 1 . . . . 122 ARG HA . 11102 1 1446 . 1 1 122 122 ARG HB2 H 1 2.306 0.030 . 2 . . . . 122 ARG HB2 . 11102 1 1447 . 1 1 122 122 ARG HB3 H 1 1.597 0.030 . 2 . . . . 122 ARG HB3 . 11102 1 1448 . 1 1 122 122 ARG HD2 H 1 3.233 0.030 . 1 . . . . 122 ARG HD2 . 11102 1 1449 . 1 1 122 122 ARG HD3 H 1 3.233 0.030 . 1 . . . . 122 ARG HD3 . 11102 1 1450 . 1 1 122 122 ARG HG2 H 1 1.726 0.030 . 2 . . . . 122 ARG HG2 . 11102 1 1451 . 1 1 122 122 ARG HG3 H 1 1.463 0.030 . 2 . . . . 122 ARG HG3 . 11102 1 1452 . 1 1 122 122 ARG C C 13 175.763 0.300 . 1 . . . . 122 ARG C . 11102 1 1453 . 1 1 122 122 ARG CA C 13 55.160 0.300 . 1 . . . . 122 ARG CA . 11102 1 1454 . 1 1 122 122 ARG CB C 13 30.112 0.300 . 1 . . . . 122 ARG CB . 11102 1 1455 . 1 1 122 122 ARG CD C 13 44.289 0.300 . 1 . . . . 122 ARG CD . 11102 1 1456 . 1 1 122 122 ARG CG C 13 28.373 0.300 . 1 . . . . 122 ARG CG . 11102 1 1457 . 1 1 122 122 ARG N N 15 117.792 0.300 . 1 . . . . 122 ARG N . 11102 1 1458 . 1 1 123 123 GLU H H 1 8.102 0.030 . 1 . . . . 123 GLU H . 11102 1 1459 . 1 1 123 123 GLU HA H 1 4.632 0.030 . 1 . . . . 123 GLU HA . 11102 1 1460 . 1 1 123 123 GLU HB2 H 1 2.194 0.030 . 2 . . . . 123 GLU HB2 . 11102 1 1461 . 1 1 123 123 GLU HB3 H 1 1.834 0.030 . 2 . . . . 123 GLU HB3 . 11102 1 1462 . 1 1 123 123 GLU HG2 H 1 2.399 0.030 . 2 . . . . 123 GLU HG2 . 11102 1 1463 . 1 1 123 123 GLU HG3 H 1 2.216 0.030 . 2 . . . . 123 GLU HG3 . 11102 1 1464 . 1 1 123 123 GLU C C 13 177.892 0.300 . 1 . . . . 123 GLU C . 11102 1 1465 . 1 1 123 123 GLU CA C 13 54.189 0.300 . 1 . . . . 123 GLU CA . 11102 1 1466 . 1 1 123 123 GLU CB C 13 29.757 0.300 . 1 . . . . 123 GLU CB . 11102 1 1467 . 1 1 123 123 GLU CG C 13 35.605 0.300 . 1 . . . . 123 GLU CG . 11102 1 1468 . 1 1 123 123 GLU N N 15 116.501 0.300 . 1 . . . . 123 GLU N . 11102 1 1469 . 1 1 124 124 LEU H H 1 9.304 0.030 . 1 . . . . 124 LEU H . 11102 1 1470 . 1 1 124 124 LEU HA H 1 4.122 0.030 . 1 . . . . 124 LEU HA . 11102 1 1471 . 1 1 124 124 LEU HB2 H 1 1.866 0.030 . 2 . . . . 124 LEU HB2 . 11102 1 1472 . 1 1 124 124 LEU HB3 H 1 1.654 0.030 . 2 . . . . 124 LEU HB3 . 11102 1 1473 . 1 1 124 124 LEU HD11 H 1 0.901 0.030 . 1 . . . . 124 LEU HD1 . 11102 1 1474 . 1 1 124 124 LEU HD12 H 1 0.901 0.030 . 1 . . . . 124 LEU HD1 . 11102 1 1475 . 1 1 124 124 LEU HD13 H 1 0.901 0.030 . 1 . . . . 124 LEU HD1 . 11102 1 1476 . 1 1 124 124 LEU HD21 H 1 0.939 0.030 . 1 . . . . 124 LEU HD2 . 11102 1 1477 . 1 1 124 124 LEU HD22 H 1 0.939 0.030 . 1 . . . . 124 LEU HD2 . 11102 1 1478 . 1 1 124 124 LEU HD23 H 1 0.939 0.030 . 1 . . . . 124 LEU HD2 . 11102 1 1479 . 1 1 124 124 LEU HG H 1 1.659 0.030 . 1 . . . . 124 LEU HG . 11102 1 1480 . 1 1 124 124 LEU C C 13 178.663 0.300 . 1 . . . . 124 LEU C . 11102 1 1481 . 1 1 124 124 LEU CA C 13 59.715 0.300 . 1 . . . . 124 LEU CA . 11102 1 1482 . 1 1 124 124 LEU CB C 13 41.673 0.300 . 1 . . . . 124 LEU CB . 11102 1 1483 . 1 1 124 124 LEU CD1 C 13 25.586 0.300 . 2 . . . . 124 LEU CD1 . 11102 1 1484 . 1 1 124 124 LEU CD2 C 13 24.141 0.300 . 2 . . . . 124 LEU CD2 . 11102 1 1485 . 1 1 124 124 LEU CG C 13 27.194 0.300 . 1 . . . . 124 LEU CG . 11102 1 1486 . 1 1 124 124 LEU N N 15 123.954 0.300 . 1 . . . . 124 LEU N . 11102 1 1487 . 1 1 125 125 SER H H 1 8.610 0.030 . 1 . . . . 125 SER H . 11102 1 1488 . 1 1 125 125 SER HA H 1 4.002 0.030 . 1 . . . . 125 SER HA . 11102 1 1489 . 1 1 125 125 SER HB2 H 1 3.885 0.030 . 2 . . . . 125 SER HB2 . 11102 1 1490 . 1 1 125 125 SER HB3 H 1 3.818 0.030 . 2 . . . . 125 SER HB3 . 11102 1 1491 . 1 1 125 125 SER C C 13 177.254 0.300 . 1 . . . . 125 SER C . 11102 1 1492 . 1 1 125 125 SER CA C 13 61.192 0.300 . 1 . . . . 125 SER CA . 11102 1 1493 . 1 1 125 125 SER CB C 13 62.098 0.300 . 1 . . . . 125 SER CB . 11102 1 1494 . 1 1 125 125 SER N N 15 109.469 0.300 . 1 . . . . 125 SER N . 11102 1 1495 . 1 1 126 126 ASP H H 1 7.148 0.030 . 1 . . . . 126 ASP H . 11102 1 1496 . 1 1 126 126 ASP HA H 1 4.344 0.030 . 1 . . . . 126 ASP HA . 11102 1 1497 . 1 1 126 126 ASP HB2 H 1 2.542 0.030 . 2 . . . . 126 ASP HB2 . 11102 1 1498 . 1 1 126 126 ASP HB3 H 1 2.362 0.030 . 2 . . . . 126 ASP HB3 . 11102 1 1499 . 1 1 126 126 ASP C C 13 178.562 0.300 . 1 . . . . 126 ASP C . 11102 1 1500 . 1 1 126 126 ASP CA C 13 57.526 0.300 . 1 . . . . 126 ASP CA . 11102 1 1501 . 1 1 126 126 ASP CB C 13 40.989 0.300 . 1 . . . . 126 ASP CB . 11102 1 1502 . 1 1 126 126 ASP N N 15 122.462 0.300 . 1 . . . . 126 ASP N . 11102 1 1503 . 1 1 127 127 PHE H H 1 7.522 0.030 . 1 . . . . 127 PHE H . 11102 1 1504 . 1 1 127 127 PHE HA H 1 4.201 0.030 . 1 . . . . 127 PHE HA . 11102 1 1505 . 1 1 127 127 PHE HB2 H 1 2.997 0.030 . 2 . . . . 127 PHE HB2 . 11102 1 1506 . 1 1 127 127 PHE HB3 H 1 2.856 0.030 . 2 . . . . 127 PHE HB3 . 11102 1 1507 . 1 1 127 127 PHE HD1 H 1 6.738 0.030 . 1 . . . . 127 PHE HD1 . 11102 1 1508 . 1 1 127 127 PHE HD2 H 1 6.738 0.030 . 1 . . . . 127 PHE HD2 . 11102 1 1509 . 1 1 127 127 PHE HE1 H 1 6.798 0.030 . 1 . . . . 127 PHE HE1 . 11102 1 1510 . 1 1 127 127 PHE HE2 H 1 6.798 0.030 . 1 . . . . 127 PHE HE2 . 11102 1 1511 . 1 1 127 127 PHE HZ H 1 6.872 0.030 . 1 . . . . 127 PHE HZ . 11102 1 1512 . 1 1 127 127 PHE C C 13 178.316 0.300 . 1 . . . . 127 PHE C . 11102 1 1513 . 1 1 127 127 PHE CA C 13 61.434 0.300 . 1 . . . . 127 PHE CA . 11102 1 1514 . 1 1 127 127 PHE CB C 13 41.124 0.300 . 1 . . . . 127 PHE CB . 11102 1 1515 . 1 1 127 127 PHE CD1 C 13 131.699 0.300 . 1 . . . . 127 PHE CD1 . 11102 1 1516 . 1 1 127 127 PHE CD2 C 13 131.699 0.300 . 1 . . . . 127 PHE CD2 . 11102 1 1517 . 1 1 127 127 PHE CE1 C 13 130.461 0.300 . 1 . . . . 127 PHE CE1 . 11102 1 1518 . 1 1 127 127 PHE CE2 C 13 130.461 0.300 . 1 . . . . 127 PHE CE2 . 11102 1 1519 . 1 1 127 127 PHE CZ C 13 127.997 0.300 . 1 . . . . 127 PHE CZ . 11102 1 1520 . 1 1 127 127 PHE N N 15 118.550 0.300 . 1 . . . . 127 PHE N . 11102 1 1521 . 1 1 128 128 ILE H H 1 8.405 0.030 . 1 . . . . 128 ILE H . 11102 1 1522 . 1 1 128 128 ILE HA H 1 3.626 0.030 . 1 . . . . 128 ILE HA . 11102 1 1523 . 1 1 128 128 ILE HB H 1 1.889 0.030 . 1 . . . . 128 ILE HB . 11102 1 1524 . 1 1 128 128 ILE HD11 H 1 0.736 0.030 . 1 . . . . 128 ILE HD1 . 11102 1 1525 . 1 1 128 128 ILE HD12 H 1 0.736 0.030 . 1 . . . . 128 ILE HD1 . 11102 1 1526 . 1 1 128 128 ILE HD13 H 1 0.736 0.030 . 1 . . . . 128 ILE HD1 . 11102 1 1527 . 1 1 128 128 ILE HG12 H 1 1.639 0.030 . 2 . . . . 128 ILE HG12 . 11102 1 1528 . 1 1 128 128 ILE HG13 H 1 1.138 0.030 . 2 . . . . 128 ILE HG13 . 11102 1 1529 . 1 1 128 128 ILE HG21 H 1 0.844 0.030 . 1 . . . . 128 ILE HG2 . 11102 1 1530 . 1 1 128 128 ILE HG22 H 1 0.844 0.030 . 1 . . . . 128 ILE HG2 . 11102 1 1531 . 1 1 128 128 ILE HG23 H 1 0.844 0.030 . 1 . . . . 128 ILE HG2 . 11102 1 1532 . 1 1 128 128 ILE C C 13 178.381 0.300 . 1 . . . . 128 ILE C . 11102 1 1533 . 1 1 128 128 ILE CA C 13 64.800 0.300 . 1 . . . . 128 ILE CA . 11102 1 1534 . 1 1 128 128 ILE CB C 13 37.168 0.300 . 1 . . . . 128 ILE CB . 11102 1 1535 . 1 1 128 128 ILE CD1 C 13 11.922 0.300 . 1 . . . . 128 ILE CD1 . 11102 1 1536 . 1 1 128 128 ILE CG1 C 13 28.837 0.300 . 1 . . . . 128 ILE CG1 . 11102 1 1537 . 1 1 128 128 ILE CG2 C 13 16.666 0.300 . 1 . . . . 128 ILE CG2 . 11102 1 1538 . 1 1 128 128 ILE N N 15 118.095 0.300 . 1 . . . . 128 ILE N . 11102 1 1539 . 1 1 129 129 SER H H 1 7.973 0.030 . 1 . . . . 129 SER H . 11102 1 1540 . 1 1 129 129 SER HA H 1 4.233 0.030 . 1 . . . . 129 SER HA . 11102 1 1541 . 1 1 129 129 SER HB2 H 1 4.026 0.030 . 1 . . . . 129 SER HB2 . 11102 1 1542 . 1 1 129 129 SER HB3 H 1 4.026 0.030 . 1 . . . . 129 SER HB3 . 11102 1 1543 . 1 1 129 129 SER C C 13 176.849 0.300 . 1 . . . . 129 SER C . 11102 1 1544 . 1 1 129 129 SER CA C 13 61.780 0.300 . 1 . . . . 129 SER CA . 11102 1 1545 . 1 1 129 129 SER CB C 13 62.780 0.300 . 1 . . . . 129 SER CB . 11102 1 1546 . 1 1 129 129 SER N N 15 114.719 0.300 . 1 . . . . 129 SER N . 11102 1 1547 . 1 1 130 130 TYR H H 1 8.005 0.030 . 1 . . . . 130 TYR H . 11102 1 1548 . 1 1 130 130 TYR HA H 1 4.101 0.030 . 1 . . . . 130 TYR HA . 11102 1 1549 . 1 1 130 130 TYR HB2 H 1 3.349 0.030 . 2 . . . . 130 TYR HB2 . 11102 1 1550 . 1 1 130 130 TYR HB3 H 1 3.227 0.030 . 2 . . . . 130 TYR HB3 . 11102 1 1551 . 1 1 130 130 TYR HD1 H 1 6.830 0.030 . 1 . . . . 130 TYR HD1 . 11102 1 1552 . 1 1 130 130 TYR HD2 H 1 6.830 0.030 . 1 . . . . 130 TYR HD2 . 11102 1 1553 . 1 1 130 130 TYR HE1 H 1 6.492 0.030 . 1 . . . . 130 TYR HE1 . 11102 1 1554 . 1 1 130 130 TYR HE2 H 1 6.492 0.030 . 1 . . . . 130 TYR HE2 . 11102 1 1555 . 1 1 130 130 TYR C C 13 177.087 0.300 . 1 . . . . 130 TYR C . 11102 1 1556 . 1 1 130 130 TYR CA C 13 61.995 0.300 . 1 . . . . 130 TYR CA . 11102 1 1557 . 1 1 130 130 TYR CB C 13 39.207 0.300 . 1 . . . . 130 TYR CB . 11102 1 1558 . 1 1 130 130 TYR CD1 C 13 133.155 0.300 . 1 . . . . 130 TYR CD1 . 11102 1 1559 . 1 1 130 130 TYR CD2 C 13 133.155 0.300 . 1 . . . . 130 TYR CD2 . 11102 1 1560 . 1 1 130 130 TYR CE1 C 13 118.235 0.300 . 1 . . . . 130 TYR CE1 . 11102 1 1561 . 1 1 130 130 TYR CE2 C 13 118.235 0.300 . 1 . . . . 130 TYR CE2 . 11102 1 1562 . 1 1 130 130 TYR N N 15 122.683 0.300 . 1 . . . . 130 TYR N . 11102 1 1563 . 1 1 131 131 LEU H H 1 8.445 0.030 . 1 . . . . 131 LEU H . 11102 1 1564 . 1 1 131 131 LEU HA H 1 3.549 0.030 . 1 . . . . 131 LEU HA . 11102 1 1565 . 1 1 131 131 LEU HB2 H 1 1.965 0.030 . 2 . . . . 131 LEU HB2 . 11102 1 1566 . 1 1 131 131 LEU HB3 H 1 1.272 0.030 . 2 . . . . 131 LEU HB3 . 11102 1 1567 . 1 1 131 131 LEU HD11 H 1 0.815 0.030 . 1 . . . . 131 LEU HD1 . 11102 1 1568 . 1 1 131 131 LEU HD12 H 1 0.815 0.030 . 1 . . . . 131 LEU HD1 . 11102 1 1569 . 1 1 131 131 LEU HD13 H 1 0.815 0.030 . 1 . . . . 131 LEU HD1 . 11102 1 1570 . 1 1 131 131 LEU HD21 H 1 0.683 0.030 . 1 . . . . 131 LEU HD2 . 11102 1 1571 . 1 1 131 131 LEU HD22 H 1 0.683 0.030 . 1 . . . . 131 LEU HD2 . 11102 1 1572 . 1 1 131 131 LEU HD23 H 1 0.683 0.030 . 1 . . . . 131 LEU HD2 . 11102 1 1573 . 1 1 131 131 LEU HG H 1 1.994 0.030 . 1 . . . . 131 LEU HG . 11102 1 1574 . 1 1 131 131 LEU C C 13 179.046 0.300 . 1 . . . . 131 LEU C . 11102 1 1575 . 1 1 131 131 LEU CA C 13 57.608 0.300 . 1 . . . . 131 LEU CA . 11102 1 1576 . 1 1 131 131 LEU CB C 13 41.654 0.300 . 1 . . . . 131 LEU CB . 11102 1 1577 . 1 1 131 131 LEU CD1 C 13 27.027 0.300 . 2 . . . . 131 LEU CD1 . 11102 1 1578 . 1 1 131 131 LEU CD2 C 13 23.478 0.300 . 2 . . . . 131 LEU CD2 . 11102 1 1579 . 1 1 131 131 LEU CG C 13 27.225 0.300 . 1 . . . . 131 LEU CG . 11102 1 1580 . 1 1 131 131 LEU N N 15 118.494 0.300 . 1 . . . . 131 LEU N . 11102 1 1581 . 1 1 132 132 GLN H H 1 8.227 0.030 . 1 . . . . 132 GLN H . 11102 1 1582 . 1 1 132 132 GLN HA H 1 3.966 0.030 . 1 . . . . 132 GLN HA . 11102 1 1583 . 1 1 132 132 GLN HB2 H 1 2.247 0.030 . 2 . . . . 132 GLN HB2 . 11102 1 1584 . 1 1 132 132 GLN HB3 H 1 2.037 0.030 . 2 . . . . 132 GLN HB3 . 11102 1 1585 . 1 1 132 132 GLN HE21 H 1 6.763 0.030 . 2 . . . . 132 GLN HE21 . 11102 1 1586 . 1 1 132 132 GLN HE22 H 1 7.426 0.030 . 2 . . . . 132 GLN HE22 . 11102 1 1587 . 1 1 132 132 GLN HG2 H 1 2.591 0.030 . 2 . . . . 132 GLN HG2 . 11102 1 1588 . 1 1 132 132 GLN HG3 H 1 2.357 0.030 . 2 . . . . 132 GLN HG3 . 11102 1 1589 . 1 1 132 132 GLN C C 13 178.051 0.300 . 1 . . . . 132 GLN C . 11102 1 1590 . 1 1 132 132 GLN CA C 13 58.846 0.300 . 1 . . . . 132 GLN CA . 11102 1 1591 . 1 1 132 132 GLN CB C 13 28.183 0.300 . 1 . . . . 132 GLN CB . 11102 1 1592 . 1 1 132 132 GLN CG C 13 34.326 0.300 . 1 . . . . 132 GLN CG . 11102 1 1593 . 1 1 132 132 GLN N N 15 117.381 0.300 . 1 . . . . 132 GLN N . 11102 1 1594 . 1 1 132 132 GLN NE2 N 15 111.219 0.300 . 1 . . . . 132 GLN NE2 . 11102 1 1595 . 1 1 133 133 ARG H H 1 7.369 0.030 . 1 . . . . 133 ARG H . 11102 1 1596 . 1 1 133 133 ARG HA H 1 4.182 0.030 . 1 . . . . 133 ARG HA . 11102 1 1597 . 1 1 133 133 ARG HB2 H 1 1.882 0.030 . 2 . . . . 133 ARG HB2 . 11102 1 1598 . 1 1 133 133 ARG HB3 H 1 1.814 0.030 . 2 . . . . 133 ARG HB3 . 11102 1 1599 . 1 1 133 133 ARG HD2 H 1 3.230 0.030 . 2 . . . . 133 ARG HD2 . 11102 1 1600 . 1 1 133 133 ARG HG2 H 1 1.737 0.030 . 2 . . . . 133 ARG HG2 . 11102 1 1601 . 1 1 133 133 ARG HG3 H 1 1.495 0.030 . 2 . . . . 133 ARG HG3 . 11102 1 1602 . 1 1 133 133 ARG C C 13 178.285 0.300 . 1 . . . . 133 ARG C . 11102 1 1603 . 1 1 133 133 ARG CA C 13 58.240 0.300 . 1 . . . . 133 ARG CA . 11102 1 1604 . 1 1 133 133 ARG CB C 13 31.150 0.300 . 1 . . . . 133 ARG CB . 11102 1 1605 . 1 1 133 133 ARG CD C 13 43.564 0.300 . 1 . . . . 133 ARG CD . 11102 1 1606 . 1 1 133 133 ARG CG C 13 27.779 0.300 . 1 . . . . 133 ARG CG . 11102 1 1607 . 1 1 133 133 ARG N N 15 117.119 0.300 . 1 . . . . 133 ARG N . 11102 1 1608 . 1 1 134 134 GLU H H 1 7.960 0.030 . 1 . . . . 134 GLU H . 11102 1 1609 . 1 1 134 134 GLU HA H 1 4.103 0.030 . 1 . . . . 134 GLU HA . 11102 1 1610 . 1 1 134 134 GLU HB2 H 1 0.620 0.030 . 2 . . . . 134 GLU HB2 . 11102 1 1611 . 1 1 134 134 GLU HB3 H 1 1.837 0.030 . 2 . . . . 134 GLU HB3 . 11102 1 1612 . 1 1 134 134 GLU HG2 H 1 1.146 0.030 . 2 . . . . 134 GLU HG2 . 11102 1 1613 . 1 1 134 134 GLU HG3 H 1 1.529 0.030 . 2 . . . . 134 GLU HG3 . 11102 1 1614 . 1 1 134 134 GLU C C 13 176.944 0.300 . 1 . . . . 134 GLU C . 11102 1 1615 . 1 1 134 134 GLU CA C 13 56.522 0.300 . 1 . . . . 134 GLU CA . 11102 1 1616 . 1 1 134 134 GLU CB C 13 30.385 0.300 . 1 . . . . 134 GLU CB . 11102 1 1617 . 1 1 134 134 GLU CG C 13 34.232 0.300 . 1 . . . . 134 GLU CG . 11102 1 1618 . 1 1 134 134 GLU N N 15 115.897 0.300 . 1 . . . . 134 GLU N . 11102 1 1619 . 1 1 135 135 ALA H H 1 7.977 0.030 . 1 . . . . 135 ALA H . 11102 1 1620 . 1 1 135 135 ALA HA H 1 4.437 0.030 . 1 . . . . 135 ALA HA . 11102 1 1621 . 1 1 135 135 ALA HB1 H 1 1.514 0.030 . 1 . . . . 135 ALA HB . 11102 1 1622 . 1 1 135 135 ALA HB2 H 1 1.514 0.030 . 1 . . . . 135 ALA HB . 11102 1 1623 . 1 1 135 135 ALA HB3 H 1 1.514 0.030 . 1 . . . . 135 ALA HB . 11102 1 1624 . 1 1 135 135 ALA C C 13 178.308 0.300 . 1 . . . . 135 ALA C . 11102 1 1625 . 1 1 135 135 ALA CA C 13 52.940 0.300 . 1 . . . . 135 ALA CA . 11102 1 1626 . 1 1 135 135 ALA CB C 13 19.035 0.300 . 1 . . . . 135 ALA CB . 11102 1 1627 . 1 1 135 135 ALA N N 15 121.440 0.300 . 1 . . . . 135 ALA N . 11102 1 1628 . 1 1 136 136 THR H H 1 9.918 0.030 . 1 . . . . 136 THR H . 11102 1 1629 . 1 1 136 136 THR HA H 1 4.157 0.030 . 1 . . . . 136 THR HA . 11102 1 1630 . 1 1 136 136 THR HB H 1 4.316 0.030 . 1 . . . . 136 THR HB . 11102 1 1631 . 1 1 136 136 THR HG21 H 1 1.287 0.030 . 1 . . . . 136 THR HG2 . 11102 1 1632 . 1 1 136 136 THR HG22 H 1 1.287 0.030 . 1 . . . . 136 THR HG2 . 11102 1 1633 . 1 1 136 136 THR HG23 H 1 1.287 0.030 . 1 . . . . 136 THR HG2 . 11102 1 1634 . 1 1 136 136 THR C C 13 175.652 0.300 . 1 . . . . 136 THR C . 11102 1 1635 . 1 1 136 136 THR CA C 13 64.323 0.300 . 1 . . . . 136 THR CA . 11102 1 1636 . 1 1 136 136 THR CB C 13 68.948 0.300 . 1 . . . . 136 THR CB . 11102 1 1637 . 1 1 136 136 THR CG2 C 13 21.966 0.300 . 1 . . . . 136 THR CG2 . 11102 1 1638 . 1 1 136 136 THR N N 15 119.186 0.300 . 1 . . . . 136 THR N . 11102 1 1639 . 1 1 137 137 SER H H 1 8.477 0.030 . 1 . . . . 137 SER H . 11102 1 1640 . 1 1 137 137 SER HA H 1 4.497 0.030 . 1 . . . . 137 SER HA . 11102 1 1641 . 1 1 137 137 SER HB2 H 1 3.854 0.030 . 1 . . . . 137 SER HB2 . 11102 1 1642 . 1 1 137 137 SER HB3 H 1 3.854 0.030 . 1 . . . . 137 SER HB3 . 11102 1 1643 . 1 1 137 137 SER C C 13 174.579 0.300 . 1 . . . . 137 SER C . 11102 1 1644 . 1 1 137 137 SER CA C 13 58.332 0.300 . 1 . . . . 137 SER CA . 11102 1 1645 . 1 1 137 137 SER CB C 13 63.846 0.300 . 1 . . . . 137 SER CB . 11102 1 1646 . 1 1 137 137 SER N N 15 118.294 0.300 . 1 . . . . 137 SER N . 11102 1 1647 . 1 1 138 138 GLY H H 1 8.208 0.030 . 1 . . . . 138 GLY H . 11102 1 1648 . 1 1 138 138 GLY HA2 H 1 4.164 0.030 . 2 . . . . 138 GLY HA2 . 11102 1 1649 . 1 1 138 138 GLY HA3 H 1 4.024 0.030 . 2 . . . . 138 GLY HA3 . 11102 1 1650 . 1 1 138 138 GLY C C 13 171.942 0.300 . 1 . . . . 138 GLY C . 11102 1 1651 . 1 1 138 138 GLY CA C 13 44.797 0.300 . 1 . . . . 138 GLY CA . 11102 1 1652 . 1 1 138 138 GLY N N 15 110.680 0.300 . 1 . . . . 138 GLY N . 11102 1 1653 . 1 1 139 139 PRO HA H 1 4.496 0.030 . 1 . . . . 139 PRO HA . 11102 1 1654 . 1 1 139 139 PRO HB2 H 1 2.269 0.030 . 2 . . . . 139 PRO HB2 . 11102 1 1655 . 1 1 139 139 PRO HB3 H 1 1.959 0.030 . 2 . . . . 139 PRO HB3 . 11102 1 1656 . 1 1 139 139 PRO HD2 H 1 3.623 0.030 . 1 . . . . 139 PRO HD2 . 11102 1 1657 . 1 1 139 139 PRO HD3 H 1 3.623 0.030 . 1 . . . . 139 PRO HD3 . 11102 1 1658 . 1 1 139 139 PRO HG2 H 1 2.014 0.030 . 2 . . . . 139 PRO HG2 . 11102 1 1659 . 1 1 139 139 PRO C C 13 177.416 0.300 . 1 . . . . 139 PRO C . 11102 1 1660 . 1 1 139 139 PRO CA C 13 63.197 0.300 . 1 . . . . 139 PRO CA . 11102 1 1661 . 1 1 139 139 PRO CB C 13 32.161 0.300 . 1 . . . . 139 PRO CB . 11102 1 1662 . 1 1 139 139 PRO CD C 13 49.892 0.300 . 1 . . . . 139 PRO CD . 11102 1 1663 . 1 1 139 139 PRO CG C 13 27.261 0.300 . 1 . . . . 139 PRO CG . 11102 1 1664 . 1 1 140 140 SER H H 1 8.623 0.030 . 1 . . . . 140 SER H . 11102 1 1665 . 1 1 140 140 SER C C 13 174.740 0.300 . 1 . . . . 140 SER C . 11102 1 1666 . 1 1 140 140 SER CA C 13 58.358 0.300 . 1 . . . . 140 SER CA . 11102 1 1667 . 1 1 140 140 SER CB C 13 64.043 0.300 . 1 . . . . 140 SER CB . 11102 1 1668 . 1 1 140 140 SER N N 15 116.821 0.300 . 1 . . . . 140 SER N . 11102 1 stop_ save_