data_11311 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11311 _Entry.Title ; Solution structure of the FAS1 domain of human transforming growth factor-beta induced protein IG-H3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _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 M. Yoneyama . . . 11311 2 T. Tomizawa . . . 11311 3 N. Tochio . . . 11311 4 S. Koshiba . . . 11311 5 M. Inoue . . . 11311 6 T. Kigawa . . . 11311 7 S. Yokoyama . . . 11311 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)' . 11311 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11311 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 608 11311 '15N chemical shifts' 142 11311 '1H chemical shifts' 988 11311 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 . . 2011-08-19 2010-08-10 original author . 11311 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X3B 'BMRB Entry Tracking System' 11311 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11311 _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 ; Solution structure of the FAS1 domain of human transforming growth factor-beta induced protein IG-H3 ; _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 M. Yoneyama . . . 11311 1 2 T. Tomizawa . . . 11311 1 3 N. Tochio . . . 11311 1 4 S. Koshiba . . . 11311 1 5 M. Inoue . . . 11311 1 6 T. Kigawa . . . 11311 1 7 S. Yokoyama . . . 11311 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11311 _Assembly.ID 1 _Assembly.Name 'Transforming growth factor-beta induced protein IG-H3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'FAS1 domain' 1 $entity_1 A . yes native no no . . . 11311 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 1x3b . . . . . . 11311 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11311 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FAS1 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 ; GSSGSSGMGTVMDVLKGDNR FSMLVAAIQSAGLTETLNRE GVYTVFAPTNEAFRALPPRE RSRLLGDAKELANILKYHIG DEILVSGGIGALVRLKSLQG DKLEVSLKNNVVSVNKEPVA EPDIMATNGVVHVITNVLQP SGPSSG ; _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 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18466 . Wild-type_FAS1-4 . . . . . 92.47 135 99.26 100.00 4.90e-90 . . . . 11311 1 2 no BMRB 18467 . FAS1-4_R555W . . . . . 91.78 135 98.51 99.25 3.28e-88 . . . . 11311 1 3 no BMRB 25425 . FAS1-4_domain_of_TGFBIp . . . . . 92.47 158 98.52 99.26 4.34e-89 . . . . 11311 1 4 no PDB 1X3B . "Solution Structure Of The Fas1 Domain Of Human Transforming Growth Factor-Beta Induced Protein Ig-H3" . . . . . 100.00 146 100.00 100.00 2.55e-98 . . . . 11311 1 5 no PDB 2LTB . "Wild-type Fas1-4" . . . . . 92.47 135 99.26 100.00 4.90e-90 . . . . 11311 1 6 no PDB 2LTC . "Fas1-4, R555w" . . . . . 91.78 135 98.51 99.25 3.28e-88 . . . . 11311 1 7 no PDB 2VXP . "The Fourth Fas1 Domain Structure Of Human Bigh3" . . . . . 90.41 132 100.00 100.00 3.99e-88 . . . . 11311 1 8 no GB AAC24944 . "BIGH3 [Homo sapiens]" . . . . . 91.10 212 100.00 100.00 2.16e-88 . . . . 11311 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FAS1 domain' . 11311 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 . 11311 1 2 . SER . 11311 1 3 . SER . 11311 1 4 . GLY . 11311 1 5 . SER . 11311 1 6 . SER . 11311 1 7 . GLY . 11311 1 8 . MET . 11311 1 9 . GLY . 11311 1 10 . THR . 11311 1 11 . VAL . 11311 1 12 . MET . 11311 1 13 . ASP . 11311 1 14 . VAL . 11311 1 15 . LEU . 11311 1 16 . LYS . 11311 1 17 . GLY . 11311 1 18 . ASP . 11311 1 19 . ASN . 11311 1 20 . ARG . 11311 1 21 . PHE . 11311 1 22 . SER . 11311 1 23 . MET . 11311 1 24 . LEU . 11311 1 25 . VAL . 11311 1 26 . ALA . 11311 1 27 . ALA . 11311 1 28 . ILE . 11311 1 29 . GLN . 11311 1 30 . SER . 11311 1 31 . ALA . 11311 1 32 . GLY . 11311 1 33 . LEU . 11311 1 34 . THR . 11311 1 35 . GLU . 11311 1 36 . THR . 11311 1 37 . LEU . 11311 1 38 . ASN . 11311 1 39 . ARG . 11311 1 40 . GLU . 11311 1 41 . GLY . 11311 1 42 . VAL . 11311 1 43 . TYR . 11311 1 44 . THR . 11311 1 45 . VAL . 11311 1 46 . PHE . 11311 1 47 . ALA . 11311 1 48 . PRO . 11311 1 49 . THR . 11311 1 50 . ASN . 11311 1 51 . GLU . 11311 1 52 . ALA . 11311 1 53 . PHE . 11311 1 54 . ARG . 11311 1 55 . ALA . 11311 1 56 . LEU . 11311 1 57 . PRO . 11311 1 58 . PRO . 11311 1 59 . ARG . 11311 1 60 . GLU . 11311 1 61 . ARG . 11311 1 62 . SER . 11311 1 63 . ARG . 11311 1 64 . LEU . 11311 1 65 . LEU . 11311 1 66 . GLY . 11311 1 67 . ASP . 11311 1 68 . ALA . 11311 1 69 . LYS . 11311 1 70 . GLU . 11311 1 71 . LEU . 11311 1 72 . ALA . 11311 1 73 . ASN . 11311 1 74 . ILE . 11311 1 75 . LEU . 11311 1 76 . LYS . 11311 1 77 . TYR . 11311 1 78 . HIS . 11311 1 79 . ILE . 11311 1 80 . GLY . 11311 1 81 . ASP . 11311 1 82 . GLU . 11311 1 83 . ILE . 11311 1 84 . LEU . 11311 1 85 . VAL . 11311 1 86 . SER . 11311 1 87 . GLY . 11311 1 88 . GLY . 11311 1 89 . ILE . 11311 1 90 . GLY . 11311 1 91 . ALA . 11311 1 92 . LEU . 11311 1 93 . VAL . 11311 1 94 . ARG . 11311 1 95 . LEU . 11311 1 96 . LYS . 11311 1 97 . SER . 11311 1 98 . LEU . 11311 1 99 . GLN . 11311 1 100 . GLY . 11311 1 101 . ASP . 11311 1 102 . LYS . 11311 1 103 . LEU . 11311 1 104 . GLU . 11311 1 105 . VAL . 11311 1 106 . SER . 11311 1 107 . LEU . 11311 1 108 . LYS . 11311 1 109 . ASN . 11311 1 110 . ASN . 11311 1 111 . VAL . 11311 1 112 . VAL . 11311 1 113 . SER . 11311 1 114 . VAL . 11311 1 115 . ASN . 11311 1 116 . LYS . 11311 1 117 . GLU . 11311 1 118 . PRO . 11311 1 119 . VAL . 11311 1 120 . ALA . 11311 1 121 . GLU . 11311 1 122 . PRO . 11311 1 123 . ASP . 11311 1 124 . ILE . 11311 1 125 . MET . 11311 1 126 . ALA . 11311 1 127 . THR . 11311 1 128 . ASN . 11311 1 129 . GLY . 11311 1 130 . VAL . 11311 1 131 . VAL . 11311 1 132 . HIS . 11311 1 133 . VAL . 11311 1 134 . ILE . 11311 1 135 . THR . 11311 1 136 . ASN . 11311 1 137 . VAL . 11311 1 138 . LEU . 11311 1 139 . GLN . 11311 1 140 . PRO . 11311 1 141 . SER . 11311 1 142 . GLY . 11311 1 143 . PRO . 11311 1 144 . SER . 11311 1 145 . SER . 11311 1 146 . GLY . 11311 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 11311 1 . SER 2 2 11311 1 . SER 3 3 11311 1 . GLY 4 4 11311 1 . SER 5 5 11311 1 . SER 6 6 11311 1 . GLY 7 7 11311 1 . MET 8 8 11311 1 . GLY 9 9 11311 1 . THR 10 10 11311 1 . VAL 11 11 11311 1 . MET 12 12 11311 1 . ASP 13 13 11311 1 . VAL 14 14 11311 1 . LEU 15 15 11311 1 . LYS 16 16 11311 1 . GLY 17 17 11311 1 . ASP 18 18 11311 1 . ASN 19 19 11311 1 . ARG 20 20 11311 1 . PHE 21 21 11311 1 . SER 22 22 11311 1 . MET 23 23 11311 1 . LEU 24 24 11311 1 . VAL 25 25 11311 1 . ALA 26 26 11311 1 . ALA 27 27 11311 1 . ILE 28 28 11311 1 . GLN 29 29 11311 1 . SER 30 30 11311 1 . ALA 31 31 11311 1 . GLY 32 32 11311 1 . LEU 33 33 11311 1 . THR 34 34 11311 1 . GLU 35 35 11311 1 . THR 36 36 11311 1 . LEU 37 37 11311 1 . ASN 38 38 11311 1 . ARG 39 39 11311 1 . GLU 40 40 11311 1 . GLY 41 41 11311 1 . VAL 42 42 11311 1 . TYR 43 43 11311 1 . THR 44 44 11311 1 . VAL 45 45 11311 1 . PHE 46 46 11311 1 . ALA 47 47 11311 1 . PRO 48 48 11311 1 . THR 49 49 11311 1 . ASN 50 50 11311 1 . GLU 51 51 11311 1 . ALA 52 52 11311 1 . PHE 53 53 11311 1 . ARG 54 54 11311 1 . ALA 55 55 11311 1 . LEU 56 56 11311 1 . PRO 57 57 11311 1 . PRO 58 58 11311 1 . ARG 59 59 11311 1 . GLU 60 60 11311 1 . ARG 61 61 11311 1 . SER 62 62 11311 1 . ARG 63 63 11311 1 . LEU 64 64 11311 1 . LEU 65 65 11311 1 . GLY 66 66 11311 1 . ASP 67 67 11311 1 . ALA 68 68 11311 1 . LYS 69 69 11311 1 . GLU 70 70 11311 1 . LEU 71 71 11311 1 . ALA 72 72 11311 1 . ASN 73 73 11311 1 . ILE 74 74 11311 1 . LEU 75 75 11311 1 . LYS 76 76 11311 1 . TYR 77 77 11311 1 . HIS 78 78 11311 1 . ILE 79 79 11311 1 . GLY 80 80 11311 1 . ASP 81 81 11311 1 . GLU 82 82 11311 1 . ILE 83 83 11311 1 . LEU 84 84 11311 1 . VAL 85 85 11311 1 . SER 86 86 11311 1 . GLY 87 87 11311 1 . GLY 88 88 11311 1 . ILE 89 89 11311 1 . GLY 90 90 11311 1 . ALA 91 91 11311 1 . LEU 92 92 11311 1 . VAL 93 93 11311 1 . ARG 94 94 11311 1 . LEU 95 95 11311 1 . LYS 96 96 11311 1 . SER 97 97 11311 1 . LEU 98 98 11311 1 . GLN 99 99 11311 1 . GLY 100 100 11311 1 . ASP 101 101 11311 1 . LYS 102 102 11311 1 . LEU 103 103 11311 1 . GLU 104 104 11311 1 . VAL 105 105 11311 1 . SER 106 106 11311 1 . LEU 107 107 11311 1 . LYS 108 108 11311 1 . ASN 109 109 11311 1 . ASN 110 110 11311 1 . VAL 111 111 11311 1 . VAL 112 112 11311 1 . SER 113 113 11311 1 . VAL 114 114 11311 1 . ASN 115 115 11311 1 . LYS 116 116 11311 1 . GLU 117 117 11311 1 . PRO 118 118 11311 1 . VAL 119 119 11311 1 . ALA 120 120 11311 1 . GLU 121 121 11311 1 . PRO 122 122 11311 1 . ASP 123 123 11311 1 . ILE 124 124 11311 1 . MET 125 125 11311 1 . ALA 126 126 11311 1 . THR 127 127 11311 1 . ASN 128 128 11311 1 . GLY 129 129 11311 1 . VAL 130 130 11311 1 . VAL 131 131 11311 1 . HIS 132 132 11311 1 . VAL 133 133 11311 1 . ILE 134 134 11311 1 . THR 135 135 11311 1 . ASN 136 136 11311 1 . VAL 137 137 11311 1 . LEU 138 138 11311 1 . GLN 139 139 11311 1 . PRO 140 140 11311 1 . SER 141 141 11311 1 . GLY 142 142 11311 1 . PRO 143 143 11311 1 . SER 144 144 11311 1 . SER 145 145 11311 1 . GLY 146 146 11311 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 11311 _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 . . . . . . . . . . . . . . . . . . . . . 11311 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 11311 _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 . . . . . . . . . . . . . . . . P040524-06 . . . . . . 11311 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11311 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.39mM FAS1 domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 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 'FAS1 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.39 . . mM . . . . 11311 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11311 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11311 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11311 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11311 1 6 H2O . . . . . . solvent 90 . . % . . . . 11311 1 7 D2O . . . . . . solvent 10 . . % . . . . 11311 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 11311 _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 11311 1 pH 7.0 0.05 pH 11311 1 pressure 1 0.001 atm 11311 1 temperature 296 0.1 K 11311 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11311 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11311 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11311 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11311 _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.' . . 11311 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11311 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11311 _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.' . . 11311 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11311 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11311 _Software.ID 4 _Software.Name Kujira _Software.Version 0.921 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11311 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11311 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11311 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11311 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11311 5 'structure solution' 11311 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 11311 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11311 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11311 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 11311 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11311 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11311 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 11311 _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 . . . . . . . . . 11311 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11311 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11311 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 11311 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11311 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11311 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 . . 11311 1 2 $NMRPipe . . 11311 1 3 $NMRview . . 11311 1 4 $Kujira . . 11311 1 5 $CYANA . . 11311 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 4.463 0.030 . 1 . . . . 6 SER HA . 11311 1 2 . 1 1 6 6 SER HB2 H 1 3.895 0.030 . 2 . . . . 6 SER HB2 . 11311 1 3 . 1 1 6 6 SER HB3 H 1 3.863 0.030 . 2 . . . . 6 SER HB3 . 11311 1 4 . 1 1 6 6 SER C C 13 174.922 0.300 . 1 . . . . 6 SER C . 11311 1 5 . 1 1 6 6 SER CA C 13 58.694 0.300 . 1 . . . . 6 SER CA . 11311 1 6 . 1 1 6 6 SER CB C 13 63.731 0.300 . 1 . . . . 6 SER CB . 11311 1 7 . 1 1 7 7 GLY H H 1 8.386 0.030 . 1 . . . . 7 GLY H . 11311 1 8 . 1 1 7 7 GLY HA2 H 1 3.912 0.030 . 1 . . . . 7 GLY HA2 . 11311 1 9 . 1 1 7 7 GLY HA3 H 1 3.912 0.030 . 1 . . . . 7 GLY HA3 . 11311 1 10 . 1 1 7 7 GLY C C 13 173.842 0.300 . 1 . . . . 7 GLY C . 11311 1 11 . 1 1 7 7 GLY CA C 13 45.287 0.300 . 1 . . . . 7 GLY CA . 11311 1 12 . 1 1 7 7 GLY N N 15 110.540 0.300 . 1 . . . . 7 GLY N . 11311 1 13 . 1 1 8 8 MET H H 1 8.130 0.030 . 1 . . . . 8 MET H . 11311 1 14 . 1 1 8 8 MET HA H 1 4.452 0.030 . 1 . . . . 8 MET HA . 11311 1 15 . 1 1 8 8 MET HB2 H 1 1.998 0.030 . 1 . . . . 8 MET HB2 . 11311 1 16 . 1 1 8 8 MET HB3 H 1 1.998 0.030 . 1 . . . . 8 MET HB3 . 11311 1 17 . 1 1 8 8 MET HG2 H 1 2.554 0.030 . 1 . . . . 8 MET HG2 . 11311 1 18 . 1 1 8 8 MET HG3 H 1 2.554 0.030 . 1 . . . . 8 MET HG3 . 11311 1 19 . 1 1 8 8 MET C C 13 175.905 0.300 . 1 . . . . 8 MET C . 11311 1 20 . 1 1 8 8 MET CA C 13 55.944 0.300 . 1 . . . . 8 MET CA . 11311 1 21 . 1 1 8 8 MET CB C 13 34.055 0.300 . 1 . . . . 8 MET CB . 11311 1 22 . 1 1 8 8 MET CG C 13 32.009 0.300 . 1 . . . . 8 MET CG . 11311 1 23 . 1 1 8 8 MET N N 15 120.006 0.300 . 1 . . . . 8 MET N . 11311 1 24 . 1 1 9 9 GLY H H 1 8.369 0.030 . 1 . . . . 9 GLY H . 11311 1 25 . 1 1 9 9 GLY HA2 H 1 4.426 0.030 . 2 . . . . 9 GLY HA2 . 11311 1 26 . 1 1 9 9 GLY HA3 H 1 4.106 0.030 . 2 . . . . 9 GLY HA3 . 11311 1 27 . 1 1 9 9 GLY C C 13 173.972 0.300 . 1 . . . . 9 GLY C . 11311 1 28 . 1 1 9 9 GLY CA C 13 44.403 0.300 . 1 . . . . 9 GLY CA . 11311 1 29 . 1 1 9 9 GLY N N 15 110.983 0.300 . 1 . . . . 9 GLY N . 11311 1 30 . 1 1 10 10 THR H H 1 9.224 0.030 . 1 . . . . 10 THR H . 11311 1 31 . 1 1 10 10 THR HA H 1 4.420 0.030 . 1 . . . . 10 THR HA . 11311 1 32 . 1 1 10 10 THR HB H 1 4.714 0.030 . 1 . . . . 10 THR HB . 11311 1 33 . 1 1 10 10 THR HG21 H 1 1.201 0.030 . 1 . . . . 10 THR HG2 . 11311 1 34 . 1 1 10 10 THR HG22 H 1 1.201 0.030 . 1 . . . . 10 THR HG2 . 11311 1 35 . 1 1 10 10 THR HG23 H 1 1.201 0.030 . 1 . . . . 10 THR HG2 . 11311 1 36 . 1 1 10 10 THR C C 13 176.383 0.300 . 1 . . . . 10 THR C . 11311 1 37 . 1 1 10 10 THR CA C 13 61.870 0.300 . 1 . . . . 10 THR CA . 11311 1 38 . 1 1 10 10 THR CB C 13 72.963 0.300 . 1 . . . . 10 THR CB . 11311 1 39 . 1 1 10 10 THR CG2 C 13 21.754 0.300 . 1 . . . . 10 THR CG2 . 11311 1 40 . 1 1 10 10 THR N N 15 111.286 0.300 . 1 . . . . 10 THR N . 11311 1 41 . 1 1 11 11 VAL H H 1 9.892 0.030 . 1 . . . . 11 VAL H . 11311 1 42 . 1 1 11 11 VAL HA H 1 3.232 0.030 . 1 . . . . 11 VAL HA . 11311 1 43 . 1 1 11 11 VAL HB H 1 1.983 0.030 . 1 . . . . 11 VAL HB . 11311 1 44 . 1 1 11 11 VAL HG11 H 1 0.777 0.030 . 1 . . . . 11 VAL HG1 . 11311 1 45 . 1 1 11 11 VAL HG12 H 1 0.777 0.030 . 1 . . . . 11 VAL HG1 . 11311 1 46 . 1 1 11 11 VAL HG13 H 1 0.777 0.030 . 1 . . . . 11 VAL HG1 . 11311 1 47 . 1 1 11 11 VAL HG21 H 1 0.688 0.030 . 1 . . . . 11 VAL HG2 . 11311 1 48 . 1 1 11 11 VAL HG22 H 1 0.688 0.030 . 1 . . . . 11 VAL HG2 . 11311 1 49 . 1 1 11 11 VAL HG23 H 1 0.688 0.030 . 1 . . . . 11 VAL HG2 . 11311 1 50 . 1 1 11 11 VAL C C 13 177.258 0.300 . 1 . . . . 11 VAL C . 11311 1 51 . 1 1 11 11 VAL CA C 13 67.182 0.300 . 1 . . . . 11 VAL CA . 11311 1 52 . 1 1 11 11 VAL CB C 13 31.557 0.300 . 1 . . . . 11 VAL CB . 11311 1 53 . 1 1 11 11 VAL CG1 C 13 21.190 0.300 . 2 . . . . 11 VAL CG1 . 11311 1 54 . 1 1 11 11 VAL CG2 C 13 22.285 0.300 . 2 . . . . 11 VAL CG2 . 11311 1 55 . 1 1 11 11 VAL N N 15 118.271 0.300 . 1 . . . . 11 VAL N . 11311 1 56 . 1 1 12 12 MET H H 1 6.952 0.030 . 1 . . . . 12 MET H . 11311 1 57 . 1 1 12 12 MET HA H 1 4.342 0.030 . 1 . . . . 12 MET HA . 11311 1 58 . 1 1 12 12 MET HB2 H 1 1.858 0.030 . 2 . . . . 12 MET HB2 . 11311 1 59 . 1 1 12 12 MET HB3 H 1 1.621 0.030 . 2 . . . . 12 MET HB3 . 11311 1 60 . 1 1 12 12 MET HE1 H 1 1.984 0.030 . 1 . . . . 12 MET HE . 11311 1 61 . 1 1 12 12 MET HE2 H 1 1.984 0.030 . 1 . . . . 12 MET HE . 11311 1 62 . 1 1 12 12 MET HE3 H 1 1.984 0.030 . 1 . . . . 12 MET HE . 11311 1 63 . 1 1 12 12 MET HG2 H 1 2.479 0.030 . 2 . . . . 12 MET HG2 . 11311 1 64 . 1 1 12 12 MET HG3 H 1 2.321 0.030 . 2 . . . . 12 MET HG3 . 11311 1 65 . 1 1 12 12 MET C C 13 178.105 0.300 . 1 . . . . 12 MET C . 11311 1 66 . 1 1 12 12 MET CA C 13 55.969 0.300 . 1 . . . . 12 MET CA . 11311 1 67 . 1 1 12 12 MET CB C 13 30.520 0.300 . 1 . . . . 12 MET CB . 11311 1 68 . 1 1 12 12 MET CE C 13 16.700 0.300 . 1 . . . . 12 MET CE . 11311 1 69 . 1 1 12 12 MET CG C 13 31.289 0.300 . 1 . . . . 12 MET CG . 11311 1 70 . 1 1 12 12 MET N N 15 114.121 0.300 . 1 . . . . 12 MET N . 11311 1 71 . 1 1 13 13 ASP H H 1 7.427 0.030 . 1 . . . . 13 ASP H . 11311 1 72 . 1 1 13 13 ASP HA H 1 4.237 0.030 . 1 . . . . 13 ASP HA . 11311 1 73 . 1 1 13 13 ASP HB2 H 1 2.662 0.030 . 2 . . . . 13 ASP HB2 . 11311 1 74 . 1 1 13 13 ASP HB3 H 1 3.033 0.030 . 2 . . . . 13 ASP HB3 . 11311 1 75 . 1 1 13 13 ASP C C 13 179.744 0.300 . 1 . . . . 13 ASP C . 11311 1 76 . 1 1 13 13 ASP CA C 13 58.189 0.300 . 1 . . . . 13 ASP CA . 11311 1 77 . 1 1 13 13 ASP CB C 13 40.322 0.300 . 1 . . . . 13 ASP CB . 11311 1 78 . 1 1 13 13 ASP N N 15 120.406 0.300 . 1 . . . . 13 ASP N . 11311 1 79 . 1 1 14 14 VAL H H 1 8.131 0.030 . 1 . . . . 14 VAL H . 11311 1 80 . 1 1 14 14 VAL HA H 1 3.555 0.030 . 1 . . . . 14 VAL HA . 11311 1 81 . 1 1 14 14 VAL HB H 1 2.190 0.030 . 1 . . . . 14 VAL HB . 11311 1 82 . 1 1 14 14 VAL HG11 H 1 0.750 0.030 . 1 . . . . 14 VAL HG1 . 11311 1 83 . 1 1 14 14 VAL HG12 H 1 0.750 0.030 . 1 . . . . 14 VAL HG1 . 11311 1 84 . 1 1 14 14 VAL HG13 H 1 0.750 0.030 . 1 . . . . 14 VAL HG1 . 11311 1 85 . 1 1 14 14 VAL HG21 H 1 0.925 0.030 . 1 . . . . 14 VAL HG2 . 11311 1 86 . 1 1 14 14 VAL HG22 H 1 0.925 0.030 . 1 . . . . 14 VAL HG2 . 11311 1 87 . 1 1 14 14 VAL HG23 H 1 0.925 0.030 . 1 . . . . 14 VAL HG2 . 11311 1 88 . 1 1 14 14 VAL C C 13 179.088 0.300 . 1 . . . . 14 VAL C . 11311 1 89 . 1 1 14 14 VAL CA C 13 66.075 0.300 . 1 . . . . 14 VAL CA . 11311 1 90 . 1 1 14 14 VAL CB C 13 31.572 0.300 . 1 . . . . 14 VAL CB . 11311 1 91 . 1 1 14 14 VAL CG1 C 13 20.893 0.300 . 2 . . . . 14 VAL CG1 . 11311 1 92 . 1 1 14 14 VAL CG2 C 13 22.561 0.300 . 2 . . . . 14 VAL CG2 . 11311 1 93 . 1 1 14 14 VAL N N 15 121.401 0.300 . 1 . . . . 14 VAL N . 11311 1 94 . 1 1 15 15 LEU H H 1 7.856 0.030 . 1 . . . . 15 LEU H . 11311 1 95 . 1 1 15 15 LEU HA H 1 4.003 0.030 . 1 . . . . 15 LEU HA . 11311 1 96 . 1 1 15 15 LEU HB2 H 1 1.042 0.030 . 2 . . . . 15 LEU HB2 . 11311 1 97 . 1 1 15 15 LEU HB3 H 1 1.725 0.030 . 2 . . . . 15 LEU HB3 . 11311 1 98 . 1 1 15 15 LEU HD11 H 1 0.493 0.030 . 1 . . . . 15 LEU HD1 . 11311 1 99 . 1 1 15 15 LEU HD12 H 1 0.493 0.030 . 1 . . . . 15 LEU HD1 . 11311 1 100 . 1 1 15 15 LEU HD13 H 1 0.493 0.030 . 1 . . . . 15 LEU HD1 . 11311 1 101 . 1 1 15 15 LEU HD21 H 1 -0.101 0.030 . 1 . . . . 15 LEU HD2 . 11311 1 102 . 1 1 15 15 LEU HD22 H 1 -0.101 0.030 . 1 . . . . 15 LEU HD2 . 11311 1 103 . 1 1 15 15 LEU HD23 H 1 -0.101 0.030 . 1 . . . . 15 LEU HD2 . 11311 1 104 . 1 1 15 15 LEU HG H 1 1.873 0.030 . 1 . . . . 15 LEU HG . 11311 1 105 . 1 1 15 15 LEU C C 13 179.069 0.300 . 1 . . . . 15 LEU C . 11311 1 106 . 1 1 15 15 LEU CA C 13 57.347 0.300 . 1 . . . . 15 LEU CA . 11311 1 107 . 1 1 15 15 LEU CB C 13 41.918 0.300 . 1 . . . . 15 LEU CB . 11311 1 108 . 1 1 15 15 LEU CD1 C 13 25.736 0.300 . 2 . . . . 15 LEU CD1 . 11311 1 109 . 1 1 15 15 LEU CD2 C 13 21.665 0.300 . 2 . . . . 15 LEU CD2 . 11311 1 110 . 1 1 15 15 LEU CG C 13 25.671 0.300 . 1 . . . . 15 LEU CG . 11311 1 111 . 1 1 15 15 LEU N N 15 117.203 0.300 . 1 . . . . 15 LEU N . 11311 1 112 . 1 1 16 16 LYS H H 1 8.383 0.030 . 1 . . . . 16 LYS H . 11311 1 113 . 1 1 16 16 LYS HA H 1 3.932 0.030 . 1 . . . . 16 LYS HA . 11311 1 114 . 1 1 16 16 LYS HB2 H 1 1.855 0.030 . 2 . . . . 16 LYS HB2 . 11311 1 115 . 1 1 16 16 LYS HB3 H 1 1.781 0.030 . 2 . . . . 16 LYS HB3 . 11311 1 116 . 1 1 16 16 LYS HD2 H 1 1.569 0.030 . 2 . . . . 16 LYS HD2 . 11311 1 117 . 1 1 16 16 LYS HD3 H 1 1.606 0.030 . 2 . . . . 16 LYS HD3 . 11311 1 118 . 1 1 16 16 LYS HE2 H 1 2.805 0.030 . 1 . . . . 16 LYS HE2 . 11311 1 119 . 1 1 16 16 LYS HE3 H 1 2.805 0.030 . 1 . . . . 16 LYS HE3 . 11311 1 120 . 1 1 16 16 LYS HG2 H 1 1.439 0.030 . 2 . . . . 16 LYS HG2 . 11311 1 121 . 1 1 16 16 LYS HG3 H 1 1.655 0.030 . 2 . . . . 16 LYS HG3 . 11311 1 122 . 1 1 16 16 LYS C C 13 177.990 0.300 . 1 . . . . 16 LYS C . 11311 1 123 . 1 1 16 16 LYS CA C 13 59.083 0.300 . 1 . . . . 16 LYS CA . 11311 1 124 . 1 1 16 16 LYS CB C 13 32.654 0.300 . 1 . . . . 16 LYS CB . 11311 1 125 . 1 1 16 16 LYS CD C 13 29.616 0.300 . 1 . . . . 16 LYS CD . 11311 1 126 . 1 1 16 16 LYS CE C 13 41.676 0.300 . 1 . . . . 16 LYS CE . 11311 1 127 . 1 1 16 16 LYS CG C 13 26.808 0.300 . 1 . . . . 16 LYS CG . 11311 1 128 . 1 1 16 16 LYS N N 15 114.844 0.300 . 1 . . . . 16 LYS N . 11311 1 129 . 1 1 17 17 GLY H H 1 7.582 0.030 . 1 . . . . 17 GLY H . 11311 1 130 . 1 1 17 17 GLY HA2 H 1 3.726 0.030 . 2 . . . . 17 GLY HA2 . 11311 1 131 . 1 1 17 17 GLY HA3 H 1 4.156 0.030 . 2 . . . . 17 GLY HA3 . 11311 1 132 . 1 1 17 17 GLY C C 13 172.520 0.300 . 1 . . . . 17 GLY C . 11311 1 133 . 1 1 17 17 GLY CA C 13 45.393 0.300 . 1 . . . . 17 GLY CA . 11311 1 134 . 1 1 17 17 GLY N N 15 104.665 0.300 . 1 . . . . 17 GLY N . 11311 1 135 . 1 1 18 18 ASP H H 1 7.032 0.030 . 1 . . . . 18 ASP H . 11311 1 136 . 1 1 18 18 ASP HA H 1 4.986 0.030 . 1 . . . . 18 ASP HA . 11311 1 137 . 1 1 18 18 ASP HB2 H 1 2.652 0.030 . 2 . . . . 18 ASP HB2 . 11311 1 138 . 1 1 18 18 ASP HB3 H 1 3.271 0.030 . 2 . . . . 18 ASP HB3 . 11311 1 139 . 1 1 18 18 ASP C C 13 176.358 0.300 . 1 . . . . 18 ASP C . 11311 1 140 . 1 1 18 18 ASP CA C 13 52.539 0.300 . 1 . . . . 18 ASP CA . 11311 1 141 . 1 1 18 18 ASP CB C 13 43.916 0.300 . 1 . . . . 18 ASP CB . 11311 1 142 . 1 1 18 18 ASP N N 15 119.998 0.300 . 1 . . . . 18 ASP N . 11311 1 143 . 1 1 19 19 ASN HA H 1 4.436 0.030 . 1 . . . . 19 ASN HA . 11311 1 144 . 1 1 19 19 ASN HB2 H 1 2.938 0.030 . 2 . . . . 19 ASN HB2 . 11311 1 145 . 1 1 19 19 ASN HB3 H 1 2.885 0.030 . 2 . . . . 19 ASN HB3 . 11311 1 146 . 1 1 19 19 ASN HD21 H 1 6.960 0.030 . 2 . . . . 19 ASN HD21 . 11311 1 147 . 1 1 19 19 ASN HD22 H 1 7.646 0.030 . 2 . . . . 19 ASN HD22 . 11311 1 148 . 1 1 19 19 ASN C C 13 176.705 0.300 . 1 . . . . 19 ASN C . 11311 1 149 . 1 1 19 19 ASN CA C 13 55.687 0.300 . 1 . . . . 19 ASN CA . 11311 1 150 . 1 1 19 19 ASN CB C 13 38.094 0.300 . 1 . . . . 19 ASN CB . 11311 1 151 . 1 1 19 19 ASN ND2 N 15 112.414 0.300 . 1 . . . . 19 ASN ND2 . 11311 1 152 . 1 1 20 20 ARG H H 1 8.565 0.030 . 1 . . . . 20 ARG H . 11311 1 153 . 1 1 20 20 ARG HA H 1 4.151 0.030 . 1 . . . . 20 ARG HA . 11311 1 154 . 1 1 20 20 ARG HB2 H 1 0.975 0.030 . 2 . . . . 20 ARG HB2 . 11311 1 155 . 1 1 20 20 ARG HB3 H 1 1.189 0.030 . 2 . . . . 20 ARG HB3 . 11311 1 156 . 1 1 20 20 ARG HD2 H 1 2.749 0.030 . 2 . . . . 20 ARG HD2 . 11311 1 157 . 1 1 20 20 ARG HD3 H 1 3.222 0.030 . 2 . . . . 20 ARG HD3 . 11311 1 158 . 1 1 20 20 ARG HE H 1 7.197 0.030 . 1 . . . . 20 ARG HE . 11311 1 159 . 1 1 20 20 ARG HG2 H 1 1.404 0.030 . 2 . . . . 20 ARG HG2 . 11311 1 160 . 1 1 20 20 ARG HG3 H 1 1.521 0.030 . 2 . . . . 20 ARG HG3 . 11311 1 161 . 1 1 20 20 ARG C C 13 176.123 0.300 . 1 . . . . 20 ARG C . 11311 1 162 . 1 1 20 20 ARG CA C 13 57.942 0.300 . 1 . . . . 20 ARG CA . 11311 1 163 . 1 1 20 20 ARG CB C 13 30.687 0.300 . 1 . . . . 20 ARG CB . 11311 1 164 . 1 1 20 20 ARG CD C 13 44.112 0.300 . 1 . . . . 20 ARG CD . 11311 1 165 . 1 1 20 20 ARG CG C 13 25.671 0.300 . 1 . . . . 20 ARG CG . 11311 1 166 . 1 1 20 20 ARG N N 15 118.912 0.300 . 1 . . . . 20 ARG N . 11311 1 167 . 1 1 20 20 ARG NE N 15 82.880 0.300 . 1 . . . . 20 ARG NE . 11311 1 168 . 1 1 21 21 PHE H H 1 7.591 0.030 . 1 . . . . 21 PHE H . 11311 1 169 . 1 1 21 21 PHE HA H 1 5.762 0.030 . 1 . . . . 21 PHE HA . 11311 1 170 . 1 1 21 21 PHE HB2 H 1 3.532 0.030 . 2 . . . . 21 PHE HB2 . 11311 1 171 . 1 1 21 21 PHE HB3 H 1 3.459 0.030 . 2 . . . . 21 PHE HB3 . 11311 1 172 . 1 1 21 21 PHE HD1 H 1 7.426 0.030 . 1 . . . . 21 PHE HD1 . 11311 1 173 . 1 1 21 21 PHE HD2 H 1 7.426 0.030 . 1 . . . . 21 PHE HD2 . 11311 1 174 . 1 1 21 21 PHE HE1 H 1 7.155 0.030 . 1 . . . . 21 PHE HE1 . 11311 1 175 . 1 1 21 21 PHE HE2 H 1 7.155 0.030 . 1 . . . . 21 PHE HE2 . 11311 1 176 . 1 1 21 21 PHE HZ H 1 7.113 0.030 . 1 . . . . 21 PHE HZ . 11311 1 177 . 1 1 21 21 PHE C C 13 176.539 0.300 . 1 . . . . 21 PHE C . 11311 1 178 . 1 1 21 21 PHE CA C 13 55.968 0.300 . 1 . . . . 21 PHE CA . 11311 1 179 . 1 1 21 21 PHE CB C 13 38.573 0.300 . 1 . . . . 21 PHE CB . 11311 1 180 . 1 1 21 21 PHE CD1 C 13 131.986 0.300 . 1 . . . . 21 PHE CD1 . 11311 1 181 . 1 1 21 21 PHE CD2 C 13 131.986 0.300 . 1 . . . . 21 PHE CD2 . 11311 1 182 . 1 1 21 21 PHE CE1 C 13 130.850 0.300 . 1 . . . . 21 PHE CE1 . 11311 1 183 . 1 1 21 21 PHE CE2 C 13 130.850 0.300 . 1 . . . . 21 PHE CE2 . 11311 1 184 . 1 1 21 21 PHE CZ C 13 128.906 0.300 . 1 . . . . 21 PHE CZ . 11311 1 185 . 1 1 21 21 PHE N N 15 113.115 0.300 . 1 . . . . 21 PHE N . 11311 1 186 . 1 1 22 22 SER H H 1 7.510 0.030 . 1 . . . . 22 SER H . 11311 1 187 . 1 1 22 22 SER HA H 1 4.020 0.030 . 1 . . . . 22 SER HA . 11311 1 188 . 1 1 22 22 SER HB2 H 1 3.979 0.030 . 1 . . . . 22 SER HB2 . 11311 1 189 . 1 1 22 22 SER HB3 H 1 3.979 0.030 . 1 . . . . 22 SER HB3 . 11311 1 190 . 1 1 22 22 SER C C 13 178.545 0.300 . 1 . . . . 22 SER C . 11311 1 191 . 1 1 22 22 SER CA C 13 62.701 0.300 . 1 . . . . 22 SER CA . 11311 1 192 . 1 1 22 22 SER CB C 13 61.835 0.300 . 1 . . . . 22 SER CB . 11311 1 193 . 1 1 22 22 SER N N 15 116.597 0.300 . 1 . . . . 22 SER N . 11311 1 194 . 1 1 23 23 MET H H 1 9.294 0.030 . 1 . . . . 23 MET H . 11311 1 195 . 1 1 23 23 MET HA H 1 3.962 0.030 . 1 . . . . 23 MET HA . 11311 1 196 . 1 1 23 23 MET HB2 H 1 1.854 0.030 . 2 . . . . 23 MET HB2 . 11311 1 197 . 1 1 23 23 MET HB3 H 1 1.185 0.030 . 2 . . . . 23 MET HB3 . 11311 1 198 . 1 1 23 23 MET HE1 H 1 1.883 0.030 . 1 . . . . 23 MET HE . 11311 1 199 . 1 1 23 23 MET HE2 H 1 1.883 0.030 . 1 . . . . 23 MET HE . 11311 1 200 . 1 1 23 23 MET HE3 H 1 1.883 0.030 . 1 . . . . 23 MET HE . 11311 1 201 . 1 1 23 23 MET HG2 H 1 2.266 0.030 . 2 . . . . 23 MET HG2 . 11311 1 202 . 1 1 23 23 MET HG3 H 1 2.192 0.030 . 2 . . . . 23 MET HG3 . 11311 1 203 . 1 1 23 23 MET C C 13 178.115 0.300 . 1 . . . . 23 MET C . 11311 1 204 . 1 1 23 23 MET CA C 13 59.354 0.300 . 1 . . . . 23 MET CA . 11311 1 205 . 1 1 23 23 MET CB C 13 31.562 0.300 . 1 . . . . 23 MET CB . 11311 1 206 . 1 1 23 23 MET CE C 13 17.510 0.300 . 1 . . . . 23 MET CE . 11311 1 207 . 1 1 23 23 MET CG C 13 33.525 0.300 . 1 . . . . 23 MET CG . 11311 1 208 . 1 1 23 23 MET N N 15 124.349 0.300 . 1 . . . . 23 MET N . 11311 1 209 . 1 1 24 24 LEU H H 1 8.626 0.030 . 1 . . . . 24 LEU H . 11311 1 210 . 1 1 24 24 LEU HA H 1 3.904 0.030 . 1 . . . . 24 LEU HA . 11311 1 211 . 1 1 24 24 LEU HB2 H 1 2.047 0.030 . 2 . . . . 24 LEU HB2 . 11311 1 212 . 1 1 24 24 LEU HB3 H 1 2.331 0.030 . 2 . . . . 24 LEU HB3 . 11311 1 213 . 1 1 24 24 LEU HD11 H 1 0.974 0.030 . 1 . . . . 24 LEU HD1 . 11311 1 214 . 1 1 24 24 LEU HD12 H 1 0.974 0.030 . 1 . . . . 24 LEU HD1 . 11311 1 215 . 1 1 24 24 LEU HD13 H 1 0.974 0.030 . 1 . . . . 24 LEU HD1 . 11311 1 216 . 1 1 24 24 LEU HD21 H 1 0.974 0.030 . 1 . . . . 24 LEU HD2 . 11311 1 217 . 1 1 24 24 LEU HD22 H 1 0.974 0.030 . 1 . . . . 24 LEU HD2 . 11311 1 218 . 1 1 24 24 LEU HD23 H 1 0.974 0.030 . 1 . . . . 24 LEU HD2 . 11311 1 219 . 1 1 24 24 LEU HG H 1 1.559 0.030 . 1 . . . . 24 LEU HG . 11311 1 220 . 1 1 24 24 LEU C C 13 178.121 0.300 . 1 . . . . 24 LEU C . 11311 1 221 . 1 1 24 24 LEU CA C 13 58.064 0.300 . 1 . . . . 24 LEU CA . 11311 1 222 . 1 1 24 24 LEU CB C 13 41.309 0.300 . 1 . . . . 24 LEU CB . 11311 1 223 . 1 1 24 24 LEU CD1 C 13 23.149 0.300 . 2 . . . . 24 LEU CD1 . 11311 1 224 . 1 1 24 24 LEU CD2 C 13 27.917 0.300 . 2 . . . . 24 LEU CD2 . 11311 1 225 . 1 1 24 24 LEU CG C 13 26.920 0.300 . 1 . . . . 24 LEU CG . 11311 1 226 . 1 1 24 24 LEU N N 15 124.011 0.300 . 1 . . . . 24 LEU N . 11311 1 227 . 1 1 25 25 VAL H H 1 9.069 0.030 . 1 . . . . 25 VAL H . 11311 1 228 . 1 1 25 25 VAL HA H 1 3.284 0.030 . 1 . . . . 25 VAL HA . 11311 1 229 . 1 1 25 25 VAL HB H 1 2.033 0.030 . 1 . . . . 25 VAL HB . 11311 1 230 . 1 1 25 25 VAL HG11 H 1 0.814 0.030 . 1 . . . . 25 VAL HG1 . 11311 1 231 . 1 1 25 25 VAL HG12 H 1 0.814 0.030 . 1 . . . . 25 VAL HG1 . 11311 1 232 . 1 1 25 25 VAL HG13 H 1 0.814 0.030 . 1 . . . . 25 VAL HG1 . 11311 1 233 . 1 1 25 25 VAL HG21 H 1 0.866 0.030 . 1 . . . . 25 VAL HG2 . 11311 1 234 . 1 1 25 25 VAL HG22 H 1 0.866 0.030 . 1 . . . . 25 VAL HG2 . 11311 1 235 . 1 1 25 25 VAL HG23 H 1 0.866 0.030 . 1 . . . . 25 VAL HG2 . 11311 1 236 . 1 1 25 25 VAL C C 13 178.082 0.300 . 1 . . . . 25 VAL C . 11311 1 237 . 1 1 25 25 VAL CA C 13 67.782 0.300 . 1 . . . . 25 VAL CA . 11311 1 238 . 1 1 25 25 VAL CB C 13 31.748 0.300 . 1 . . . . 25 VAL CB . 11311 1 239 . 1 1 25 25 VAL CG1 C 13 21.371 0.300 . 2 . . . . 25 VAL CG1 . 11311 1 240 . 1 1 25 25 VAL CG2 C 13 24.958 0.300 . 2 . . . . 25 VAL CG2 . 11311 1 241 . 1 1 25 25 VAL N N 15 118.916 0.300 . 1 . . . . 25 VAL N . 11311 1 242 . 1 1 26 26 ALA H H 1 7.444 0.030 . 1 . . . . 26 ALA H . 11311 1 243 . 1 1 26 26 ALA HA H 1 4.136 0.030 . 1 . . . . 26 ALA HA . 11311 1 244 . 1 1 26 26 ALA HB1 H 1 1.434 0.030 . 1 . . . . 26 ALA HB . 11311 1 245 . 1 1 26 26 ALA HB2 H 1 1.434 0.030 . 1 . . . . 26 ALA HB . 11311 1 246 . 1 1 26 26 ALA HB3 H 1 1.434 0.030 . 1 . . . . 26 ALA HB . 11311 1 247 . 1 1 26 26 ALA C C 13 180.218 0.300 . 1 . . . . 26 ALA C . 11311 1 248 . 1 1 26 26 ALA CA C 13 54.944 0.300 . 1 . . . . 26 ALA CA . 11311 1 249 . 1 1 26 26 ALA CB C 13 17.725 0.300 . 1 . . . . 26 ALA CB . 11311 1 250 . 1 1 26 26 ALA N N 15 122.169 0.300 . 1 . . . . 26 ALA N . 11311 1 251 . 1 1 27 27 ALA H H 1 8.251 0.030 . 1 . . . . 27 ALA H . 11311 1 252 . 1 1 27 27 ALA HA H 1 4.110 0.030 . 1 . . . . 27 ALA HA . 11311 1 253 . 1 1 27 27 ALA HB1 H 1 1.449 0.030 . 1 . . . . 27 ALA HB . 11311 1 254 . 1 1 27 27 ALA HB2 H 1 1.449 0.030 . 1 . . . . 27 ALA HB . 11311 1 255 . 1 1 27 27 ALA HB3 H 1 1.449 0.030 . 1 . . . . 27 ALA HB . 11311 1 256 . 1 1 27 27 ALA C C 13 178.657 0.300 . 1 . . . . 27 ALA C . 11311 1 257 . 1 1 27 27 ALA CA C 13 54.838 0.300 . 1 . . . . 27 ALA CA . 11311 1 258 . 1 1 27 27 ALA CB C 13 17.899 0.300 . 1 . . . . 27 ALA CB . 11311 1 259 . 1 1 27 27 ALA N N 15 123.423 0.300 . 1 . . . . 27 ALA N . 11311 1 260 . 1 1 28 28 ILE H H 1 8.898 0.030 . 1 . . . . 28 ILE H . 11311 1 261 . 1 1 28 28 ILE HA H 1 3.284 0.030 . 1 . . . . 28 ILE HA . 11311 1 262 . 1 1 28 28 ILE HB H 1 1.921 0.030 . 1 . . . . 28 ILE HB . 11311 1 263 . 1 1 28 28 ILE HD11 H 1 0.559 0.030 . 1 . . . . 28 ILE HD1 . 11311 1 264 . 1 1 28 28 ILE HD12 H 1 0.559 0.030 . 1 . . . . 28 ILE HD1 . 11311 1 265 . 1 1 28 28 ILE HD13 H 1 0.559 0.030 . 1 . . . . 28 ILE HD1 . 11311 1 266 . 1 1 28 28 ILE HG12 H 1 0.663 0.030 . 2 . . . . 28 ILE HG12 . 11311 1 267 . 1 1 28 28 ILE HG13 H 1 1.828 0.030 . 2 . . . . 28 ILE HG13 . 11311 1 268 . 1 1 28 28 ILE HG21 H 1 0.765 0.030 . 1 . . . . 28 ILE HG2 . 11311 1 269 . 1 1 28 28 ILE HG22 H 1 0.765 0.030 . 1 . . . . 28 ILE HG2 . 11311 1 270 . 1 1 28 28 ILE HG23 H 1 0.765 0.030 . 1 . . . . 28 ILE HG2 . 11311 1 271 . 1 1 28 28 ILE C C 13 177.927 0.300 . 1 . . . . 28 ILE C . 11311 1 272 . 1 1 28 28 ILE CA C 13 65.880 0.300 . 1 . . . . 28 ILE CA . 11311 1 273 . 1 1 28 28 ILE CB C 13 38.347 0.300 . 1 . . . . 28 ILE CB . 11311 1 274 . 1 1 28 28 ILE CD1 C 13 14.420 0.300 . 1 . . . . 28 ILE CD1 . 11311 1 275 . 1 1 28 28 ILE CG1 C 13 31.447 0.300 . 1 . . . . 28 ILE CG1 . 11311 1 276 . 1 1 28 28 ILE CG2 C 13 17.535 0.300 . 1 . . . . 28 ILE CG2 . 11311 1 277 . 1 1 28 28 ILE N N 15 120.287 0.300 . 1 . . . . 28 ILE N . 11311 1 278 . 1 1 29 29 GLN H H 1 7.837 0.030 . 1 . . . . 29 GLN H . 11311 1 279 . 1 1 29 29 GLN HA H 1 4.178 0.030 . 1 . . . . 29 GLN HA . 11311 1 280 . 1 1 29 29 GLN HB2 H 1 2.243 0.030 . 2 . . . . 29 GLN HB2 . 11311 1 281 . 1 1 29 29 GLN HB3 H 1 2.115 0.030 . 2 . . . . 29 GLN HB3 . 11311 1 282 . 1 1 29 29 GLN HE21 H 1 7.457 0.030 . 2 . . . . 29 GLN HE21 . 11311 1 283 . 1 1 29 29 GLN HE22 H 1 6.910 0.030 . 2 . . . . 29 GLN HE22 . 11311 1 284 . 1 1 29 29 GLN HG2 H 1 2.390 0.030 . 1 . . . . 29 GLN HG2 . 11311 1 285 . 1 1 29 29 GLN HG3 H 1 2.390 0.030 . 1 . . . . 29 GLN HG3 . 11311 1 286 . 1 1 29 29 GLN C C 13 180.179 0.300 . 1 . . . . 29 GLN C . 11311 1 287 . 1 1 29 29 GLN CA C 13 58.493 0.300 . 1 . . . . 29 GLN CA . 11311 1 288 . 1 1 29 29 GLN CB C 13 27.422 0.300 . 1 . . . . 29 GLN CB . 11311 1 289 . 1 1 29 29 GLN CG C 13 33.140 0.300 . 1 . . . . 29 GLN CG . 11311 1 290 . 1 1 29 29 GLN N N 15 118.986 0.300 . 1 . . . . 29 GLN N . 11311 1 291 . 1 1 29 29 GLN NE2 N 15 112.313 0.300 . 1 . . . . 29 GLN NE2 . 11311 1 292 . 1 1 30 30 SER H H 1 8.390 0.030 . 1 . . . . 30 SER H . 11311 1 293 . 1 1 30 30 SER HA H 1 4.177 0.030 . 1 . . . . 30 SER HA . 11311 1 294 . 1 1 30 30 SER HB2 H 1 4.006 0.030 . 2 . . . . 30 SER HB2 . 11311 1 295 . 1 1 30 30 SER HB3 H 1 3.947 0.030 . 2 . . . . 30 SER HB3 . 11311 1 296 . 1 1 30 30 SER C C 13 175.601 0.300 . 1 . . . . 30 SER C . 11311 1 297 . 1 1 30 30 SER CA C 13 61.665 0.300 . 1 . . . . 30 SER CA . 11311 1 298 . 1 1 30 30 SER CB C 13 62.996 0.300 . 1 . . . . 30 SER CB . 11311 1 299 . 1 1 30 30 SER N N 15 118.196 0.300 . 1 . . . . 30 SER N . 11311 1 300 . 1 1 31 31 ALA H H 1 8.265 0.030 . 1 . . . . 31 ALA H . 11311 1 301 . 1 1 31 31 ALA HA H 1 4.352 0.030 . 1 . . . . 31 ALA HA . 11311 1 302 . 1 1 31 31 ALA HB1 H 1 1.368 0.030 . 1 . . . . 31 ALA HB . 11311 1 303 . 1 1 31 31 ALA HB2 H 1 1.368 0.030 . 1 . . . . 31 ALA HB . 11311 1 304 . 1 1 31 31 ALA HB3 H 1 1.368 0.030 . 1 . . . . 31 ALA HB . 11311 1 305 . 1 1 31 31 ALA C C 13 176.853 0.300 . 1 . . . . 31 ALA C . 11311 1 306 . 1 1 31 31 ALA CA C 13 52.128 0.300 . 1 . . . . 31 ALA CA . 11311 1 307 . 1 1 31 31 ALA CB C 13 19.966 0.300 . 1 . . . . 31 ALA CB . 11311 1 308 . 1 1 31 31 ALA N N 15 119.295 0.300 . 1 . . . . 31 ALA N . 11311 1 309 . 1 1 32 32 GLY H H 1 7.773 0.030 . 1 . . . . 32 GLY H . 11311 1 310 . 1 1 32 32 GLY HA2 H 1 4.142 0.030 . 2 . . . . 32 GLY HA2 . 11311 1 311 . 1 1 32 32 GLY HA3 H 1 4.092 0.030 . 2 . . . . 32 GLY HA3 . 11311 1 312 . 1 1 32 32 GLY C C 13 176.579 0.300 . 1 . . . . 32 GLY C . 11311 1 313 . 1 1 32 32 GLY CA C 13 46.430 0.300 . 1 . . . . 32 GLY CA . 11311 1 314 . 1 1 32 32 GLY N N 15 106.077 0.300 . 1 . . . . 32 GLY N . 11311 1 315 . 1 1 33 33 LEU H H 1 8.086 0.030 . 1 . . . . 33 LEU H . 11311 1 316 . 1 1 33 33 LEU HA H 1 4.433 0.030 . 1 . . . . 33 LEU HA . 11311 1 317 . 1 1 33 33 LEU HB2 H 1 1.510 0.030 . 2 . . . . 33 LEU HB2 . 11311 1 318 . 1 1 33 33 LEU HB3 H 1 1.566 0.030 . 2 . . . . 33 LEU HB3 . 11311 1 319 . 1 1 33 33 LEU HD11 H 1 0.803 0.030 . 1 . . . . 33 LEU HD1 . 11311 1 320 . 1 1 33 33 LEU HD12 H 1 0.803 0.030 . 1 . . . . 33 LEU HD1 . 11311 1 321 . 1 1 33 33 LEU HD13 H 1 0.803 0.030 . 1 . . . . 33 LEU HD1 . 11311 1 322 . 1 1 33 33 LEU HD21 H 1 0.782 0.030 . 1 . . . . 33 LEU HD2 . 11311 1 323 . 1 1 33 33 LEU HD22 H 1 0.782 0.030 . 1 . . . . 33 LEU HD2 . 11311 1 324 . 1 1 33 33 LEU HD23 H 1 0.782 0.030 . 1 . . . . 33 LEU HD2 . 11311 1 325 . 1 1 33 33 LEU HG H 1 1.522 0.030 . 1 . . . . 33 LEU HG . 11311 1 326 . 1 1 33 33 LEU C C 13 175.704 0.300 . 1 . . . . 33 LEU C . 11311 1 327 . 1 1 33 33 LEU CA C 13 54.758 0.300 . 1 . . . . 33 LEU CA . 11311 1 328 . 1 1 33 33 LEU CB C 13 45.101 0.300 . 1 . . . . 33 LEU CB . 11311 1 329 . 1 1 33 33 LEU CD1 C 13 26.575 0.300 . 2 . . . . 33 LEU CD1 . 11311 1 330 . 1 1 33 33 LEU CD2 C 13 22.973 0.300 . 2 . . . . 33 LEU CD2 . 11311 1 331 . 1 1 33 33 LEU CG C 13 27.211 0.300 . 1 . . . . 33 LEU CG . 11311 1 332 . 1 1 33 33 LEU N N 15 118.438 0.300 . 1 . . . . 33 LEU N . 11311 1 333 . 1 1 34 34 THR H H 1 7.583 0.030 . 1 . . . . 34 THR H . 11311 1 334 . 1 1 34 34 THR HA H 1 3.528 0.030 . 1 . . . . 34 THR HA . 11311 1 335 . 1 1 34 34 THR HB H 1 3.977 0.030 . 1 . . . . 34 THR HB . 11311 1 336 . 1 1 34 34 THR HG21 H 1 1.111 0.030 . 1 . . . . 34 THR HG2 . 11311 1 337 . 1 1 34 34 THR HG22 H 1 1.111 0.030 . 1 . . . . 34 THR HG2 . 11311 1 338 . 1 1 34 34 THR HG23 H 1 1.111 0.030 . 1 . . . . 34 THR HG2 . 11311 1 339 . 1 1 34 34 THR C C 13 175.442 0.300 . 1 . . . . 34 THR C . 11311 1 340 . 1 1 34 34 THR CA C 13 66.653 0.300 . 1 . . . . 34 THR CA . 11311 1 341 . 1 1 34 34 THR CB C 13 68.582 0.300 . 1 . . . . 34 THR CB . 11311 1 342 . 1 1 34 34 THR CG2 C 13 22.489 0.300 . 1 . . . . 34 THR CG2 . 11311 1 343 . 1 1 34 34 THR N N 15 118.298 0.300 . 1 . . . . 34 THR N . 11311 1 344 . 1 1 35 35 GLU H H 1 8.303 0.030 . 1 . . . . 35 GLU H . 11311 1 345 . 1 1 35 35 GLU HA H 1 3.952 0.030 . 1 . . . . 35 GLU HA . 11311 1 346 . 1 1 35 35 GLU HB2 H 1 2.015 0.030 . 2 . . . . 35 GLU HB2 . 11311 1 347 . 1 1 35 35 GLU HB3 H 1 1.938 0.030 . 2 . . . . 35 GLU HB3 . 11311 1 348 . 1 1 35 35 GLU HG2 H 1 2.274 0.030 . 1 . . . . 35 GLU HG2 . 11311 1 349 . 1 1 35 35 GLU HG3 H 1 2.274 0.030 . 1 . . . . 35 GLU HG3 . 11311 1 350 . 1 1 35 35 GLU C C 13 179.368 0.300 . 1 . . . . 35 GLU C . 11311 1 351 . 1 1 35 35 GLU CA C 13 59.821 0.300 . 1 . . . . 35 GLU CA . 11311 1 352 . 1 1 35 35 GLU CB C 13 28.532 0.300 . 1 . . . . 35 GLU CB . 11311 1 353 . 1 1 35 35 GLU CG C 13 36.738 0.300 . 1 . . . . 35 GLU CG . 11311 1 354 . 1 1 35 35 GLU N N 15 117.542 0.300 . 1 . . . . 35 GLU N . 11311 1 355 . 1 1 36 36 THR H H 1 7.702 0.030 . 1 . . . . 36 THR H . 11311 1 356 . 1 1 36 36 THR HA H 1 3.730 0.030 . 1 . . . . 36 THR HA . 11311 1 357 . 1 1 36 36 THR HB H 1 4.063 0.030 . 1 . . . . 36 THR HB . 11311 1 358 . 1 1 36 36 THR HG21 H 1 0.963 0.030 . 1 . . . . 36 THR HG2 . 11311 1 359 . 1 1 36 36 THR HG22 H 1 0.963 0.030 . 1 . . . . 36 THR HG2 . 11311 1 360 . 1 1 36 36 THR HG23 H 1 0.963 0.030 . 1 . . . . 36 THR HG2 . 11311 1 361 . 1 1 36 36 THR C C 13 175.848 0.300 . 1 . . . . 36 THR C . 11311 1 362 . 1 1 36 36 THR CA C 13 67.219 0.300 . 1 . . . . 36 THR CA . 11311 1 363 . 1 1 36 36 THR CB C 13 69.154 0.300 . 1 . . . . 36 THR CB . 11311 1 364 . 1 1 36 36 THR CG2 C 13 20.253 0.300 . 1 . . . . 36 THR CG2 . 11311 1 365 . 1 1 36 36 THR N N 15 116.145 0.300 . 1 . . . . 36 THR N . 11311 1 366 . 1 1 37 37 LEU H H 1 7.077 0.030 . 1 . . . . 37 LEU H . 11311 1 367 . 1 1 37 37 LEU HA H 1 3.906 0.030 . 1 . . . . 37 LEU HA . 11311 1 368 . 1 1 37 37 LEU HB2 H 1 1.583 0.030 . 2 . . . . 37 LEU HB2 . 11311 1 369 . 1 1 37 37 LEU HB3 H 1 1.165 0.030 . 2 . . . . 37 LEU HB3 . 11311 1 370 . 1 1 37 37 LEU HD11 H 1 0.609 0.030 . 1 . . . . 37 LEU HD1 . 11311 1 371 . 1 1 37 37 LEU HD12 H 1 0.609 0.030 . 1 . . . . 37 LEU HD1 . 11311 1 372 . 1 1 37 37 LEU HD13 H 1 0.609 0.030 . 1 . . . . 37 LEU HD1 . 11311 1 373 . 1 1 37 37 LEU HD21 H 1 0.139 0.030 . 1 . . . . 37 LEU HD2 . 11311 1 374 . 1 1 37 37 LEU HD22 H 1 0.139 0.030 . 1 . . . . 37 LEU HD2 . 11311 1 375 . 1 1 37 37 LEU HD23 H 1 0.139 0.030 . 1 . . . . 37 LEU HD2 . 11311 1 376 . 1 1 37 37 LEU HG H 1 1.346 0.030 . 1 . . . . 37 LEU HG . 11311 1 377 . 1 1 37 37 LEU C C 13 176.118 0.300 . 1 . . . . 37 LEU C . 11311 1 378 . 1 1 37 37 LEU CA C 13 55.524 0.300 . 1 . . . . 37 LEU CA . 11311 1 379 . 1 1 37 37 LEU CB C 13 41.474 0.300 . 1 . . . . 37 LEU CB . 11311 1 380 . 1 1 37 37 LEU CD1 C 13 25.116 0.300 . 2 . . . . 37 LEU CD1 . 11311 1 381 . 1 1 37 37 LEU CD2 C 13 21.172 0.300 . 2 . . . . 37 LEU CD2 . 11311 1 382 . 1 1 37 37 LEU CG C 13 27.025 0.300 . 1 . . . . 37 LEU CG . 11311 1 383 . 1 1 37 37 LEU N N 15 116.613 0.300 . 1 . . . . 37 LEU N . 11311 1 384 . 1 1 38 38 ASN H H 1 7.726 0.030 . 1 . . . . 38 ASN H . 11311 1 385 . 1 1 38 38 ASN HA H 1 4.963 0.030 . 1 . . . . 38 ASN HA . 11311 1 386 . 1 1 38 38 ASN HB2 H 1 2.803 0.030 . 2 . . . . 38 ASN HB2 . 11311 1 387 . 1 1 38 38 ASN HB3 H 1 2.518 0.030 . 2 . . . . 38 ASN HB3 . 11311 1 388 . 1 1 38 38 ASN HD21 H 1 6.851 0.030 . 2 . . . . 38 ASN HD21 . 11311 1 389 . 1 1 38 38 ASN HD22 H 1 7.571 0.030 . 2 . . . . 38 ASN HD22 . 11311 1 390 . 1 1 38 38 ASN C C 13 174.741 0.300 . 1 . . . . 38 ASN C . 11311 1 391 . 1 1 38 38 ASN CA C 13 52.043 0.300 . 1 . . . . 38 ASN CA . 11311 1 392 . 1 1 38 38 ASN CB C 13 40.938 0.300 . 1 . . . . 38 ASN CB . 11311 1 393 . 1 1 38 38 ASN N N 15 118.882 0.300 . 1 . . . . 38 ASN N . 11311 1 394 . 1 1 38 38 ASN ND2 N 15 113.296 0.300 . 1 . . . . 38 ASN ND2 . 11311 1 395 . 1 1 39 39 ARG H H 1 7.251 0.030 . 1 . . . . 39 ARG H . 11311 1 396 . 1 1 39 39 ARG HA H 1 4.514 0.030 . 1 . . . . 39 ARG HA . 11311 1 397 . 1 1 39 39 ARG HB2 H 1 1.980 0.030 . 1 . . . . 39 ARG HB2 . 11311 1 398 . 1 1 39 39 ARG HB3 H 1 1.980 0.030 . 1 . . . . 39 ARG HB3 . 11311 1 399 . 1 1 39 39 ARG HD2 H 1 3.234 0.030 . 1 . . . . 39 ARG HD2 . 11311 1 400 . 1 1 39 39 ARG HD3 H 1 3.234 0.030 . 1 . . . . 39 ARG HD3 . 11311 1 401 . 1 1 39 39 ARG HG2 H 1 1.882 0.030 . 1 . . . . 39 ARG HG2 . 11311 1 402 . 1 1 39 39 ARG HG3 H 1 1.882 0.030 . 1 . . . . 39 ARG HG3 . 11311 1 403 . 1 1 39 39 ARG C C 13 175.272 0.300 . 1 . . . . 39 ARG C . 11311 1 404 . 1 1 39 39 ARG CA C 13 55.475 0.300 . 1 . . . . 39 ARG CA . 11311 1 405 . 1 1 39 39 ARG CB C 13 32.852 0.300 . 1 . . . . 39 ARG CB . 11311 1 406 . 1 1 39 39 ARG CD C 13 43.837 0.300 . 1 . . . . 39 ARG CD . 11311 1 407 . 1 1 39 39 ARG CG C 13 27.316 0.300 . 1 . . . . 39 ARG CG . 11311 1 408 . 1 1 39 39 ARG N N 15 119.828 0.300 . 1 . . . . 39 ARG N . 11311 1 409 . 1 1 40 40 GLU H H 1 8.517 0.030 . 1 . . . . 40 GLU H . 11311 1 410 . 1 1 40 40 GLU HA H 1 4.219 0.030 . 1 . . . . 40 GLU HA . 11311 1 411 . 1 1 40 40 GLU HB2 H 1 2.019 0.030 . 1 . . . . 40 GLU HB2 . 11311 1 412 . 1 1 40 40 GLU HB3 H 1 2.019 0.030 . 1 . . . . 40 GLU HB3 . 11311 1 413 . 1 1 40 40 GLU HG2 H 1 2.326 0.030 . 1 . . . . 40 GLU HG2 . 11311 1 414 . 1 1 40 40 GLU HG3 H 1 2.326 0.030 . 1 . . . . 40 GLU HG3 . 11311 1 415 . 1 1 40 40 GLU C C 13 176.278 0.300 . 1 . . . . 40 GLU C . 11311 1 416 . 1 1 40 40 GLU CA C 13 57.632 0.300 . 1 . . . . 40 GLU CA . 11311 1 417 . 1 1 40 40 GLU CB C 13 29.686 0.300 . 1 . . . . 40 GLU CB . 11311 1 418 . 1 1 40 40 GLU CG C 13 36.108 0.300 . 1 . . . . 40 GLU CG . 11311 1 419 . 1 1 40 40 GLU N N 15 120.093 0.300 . 1 . . . . 40 GLU N . 11311 1 420 . 1 1 41 41 GLY H H 1 7.971 0.030 . 1 . . . . 41 GLY H . 11311 1 421 . 1 1 41 41 GLY HA2 H 1 3.881 0.030 . 2 . . . . 41 GLY HA2 . 11311 1 422 . 1 1 41 41 GLY HA3 H 1 3.829 0.030 . 2 . . . . 41 GLY HA3 . 11311 1 423 . 1 1 41 41 GLY C C 13 170.500 0.300 . 1 . . . . 41 GLY C . 11311 1 424 . 1 1 41 41 GLY CA C 13 44.795 0.300 . 1 . . . . 41 GLY CA . 11311 1 425 . 1 1 41 41 GLY N N 15 111.083 0.300 . 1 . . . . 41 GLY N . 11311 1 426 . 1 1 42 42 VAL H H 1 7.191 0.030 . 1 . . . . 42 VAL H . 11311 1 427 . 1 1 42 42 VAL HA H 1 4.080 0.030 . 1 . . . . 42 VAL HA . 11311 1 428 . 1 1 42 42 VAL HB H 1 1.850 0.030 . 1 . . . . 42 VAL HB . 11311 1 429 . 1 1 42 42 VAL HG11 H 1 0.711 0.030 . 1 . . . . 42 VAL HG1 . 11311 1 430 . 1 1 42 42 VAL HG12 H 1 0.711 0.030 . 1 . . . . 42 VAL HG1 . 11311 1 431 . 1 1 42 42 VAL HG13 H 1 0.711 0.030 . 1 . . . . 42 VAL HG1 . 11311 1 432 . 1 1 42 42 VAL HG21 H 1 0.754 0.030 . 1 . . . . 42 VAL HG2 . 11311 1 433 . 1 1 42 42 VAL HG22 H 1 0.754 0.030 . 1 . . . . 42 VAL HG2 . 11311 1 434 . 1 1 42 42 VAL HG23 H 1 0.754 0.030 . 1 . . . . 42 VAL HG2 . 11311 1 435 . 1 1 42 42 VAL C C 13 172.951 0.300 . 1 . . . . 42 VAL C . 11311 1 436 . 1 1 42 42 VAL CA C 13 59.309 0.300 . 1 . . . . 42 VAL CA . 11311 1 437 . 1 1 42 42 VAL CB C 13 33.574 0.300 . 1 . . . . 42 VAL CB . 11311 1 438 . 1 1 42 42 VAL CG1 C 13 23.131 0.300 . 2 . . . . 42 VAL CG1 . 11311 1 439 . 1 1 42 42 VAL CG2 C 13 18.938 0.300 . 2 . . . . 42 VAL CG2 . 11311 1 440 . 1 1 42 42 VAL N N 15 114.885 0.300 . 1 . . . . 42 VAL N . 11311 1 441 . 1 1 43 43 TYR H H 1 7.473 0.030 . 1 . . . . 43 TYR H . 11311 1 442 . 1 1 43 43 TYR HA H 1 5.176 0.030 . 1 . . . . 43 TYR HA . 11311 1 443 . 1 1 43 43 TYR HB2 H 1 2.888 0.030 . 2 . . . . 43 TYR HB2 . 11311 1 444 . 1 1 43 43 TYR HB3 H 1 2.405 0.030 . 2 . . . . 43 TYR HB3 . 11311 1 445 . 1 1 43 43 TYR HD1 H 1 7.099 0.030 . 1 . . . . 43 TYR HD1 . 11311 1 446 . 1 1 43 43 TYR HD2 H 1 7.099 0.030 . 1 . . . . 43 TYR HD2 . 11311 1 447 . 1 1 43 43 TYR HE1 H 1 6.717 0.030 . 1 . . . . 43 TYR HE1 . 11311 1 448 . 1 1 43 43 TYR HE2 H 1 6.717 0.030 . 1 . . . . 43 TYR HE2 . 11311 1 449 . 1 1 43 43 TYR C C 13 176.289 0.300 . 1 . . . . 43 TYR C . 11311 1 450 . 1 1 43 43 TYR CA C 13 56.741 0.300 . 1 . . . . 43 TYR CA . 11311 1 451 . 1 1 43 43 TYR CB C 13 42.427 0.300 . 1 . . . . 43 TYR CB . 11311 1 452 . 1 1 43 43 TYR CD1 C 13 133.536 0.300 . 1 . . . . 43 TYR CD1 . 11311 1 453 . 1 1 43 43 TYR CD2 C 13 133.536 0.300 . 1 . . . . 43 TYR CD2 . 11311 1 454 . 1 1 43 43 TYR CE1 C 13 117.441 0.300 . 1 . . . . 43 TYR CE1 . 11311 1 455 . 1 1 43 43 TYR CE2 C 13 117.441 0.300 . 1 . . . . 43 TYR CE2 . 11311 1 456 . 1 1 43 43 TYR N N 15 117.337 0.300 . 1 . . . . 43 TYR N . 11311 1 457 . 1 1 44 44 THR H H 1 7.845 0.030 . 1 . . . . 44 THR H . 11311 1 458 . 1 1 44 44 THR HA H 1 4.756 0.030 . 1 . . . . 44 THR HA . 11311 1 459 . 1 1 44 44 THR HB H 1 3.749 0.030 . 1 . . . . 44 THR HB . 11311 1 460 . 1 1 44 44 THR HG21 H 1 0.798 0.030 . 1 . . . . 44 THR HG2 . 11311 1 461 . 1 1 44 44 THR HG22 H 1 0.798 0.030 . 1 . . . . 44 THR HG2 . 11311 1 462 . 1 1 44 44 THR HG23 H 1 0.798 0.030 . 1 . . . . 44 THR HG2 . 11311 1 463 . 1 1 44 44 THR C C 13 173.400 0.300 . 1 . . . . 44 THR C . 11311 1 464 . 1 1 44 44 THR CA C 13 62.125 0.300 . 1 . . . . 44 THR CA . 11311 1 465 . 1 1 44 44 THR CB C 13 70.953 0.300 . 1 . . . . 44 THR CB . 11311 1 466 . 1 1 44 44 THR CG2 C 13 23.229 0.300 . 1 . . . . 44 THR CG2 . 11311 1 467 . 1 1 44 44 THR N N 15 116.944 0.300 . 1 . . . . 44 THR N . 11311 1 468 . 1 1 45 45 VAL H H 1 9.166 0.030 . 1 . . . . 45 VAL H . 11311 1 469 . 1 1 45 45 VAL HA H 1 4.592 0.030 . 1 . . . . 45 VAL HA . 11311 1 470 . 1 1 45 45 VAL HB H 1 1.980 0.030 . 1 . . . . 45 VAL HB . 11311 1 471 . 1 1 45 45 VAL HG11 H 1 0.669 0.030 . 1 . . . . 45 VAL HG1 . 11311 1 472 . 1 1 45 45 VAL HG12 H 1 0.669 0.030 . 1 . . . . 45 VAL HG1 . 11311 1 473 . 1 1 45 45 VAL HG13 H 1 0.669 0.030 . 1 . . . . 45 VAL HG1 . 11311 1 474 . 1 1 45 45 VAL HG21 H 1 0.812 0.030 . 1 . . . . 45 VAL HG2 . 11311 1 475 . 1 1 45 45 VAL HG22 H 1 0.812 0.030 . 1 . . . . 45 VAL HG2 . 11311 1 476 . 1 1 45 45 VAL HG23 H 1 0.812 0.030 . 1 . . . . 45 VAL HG2 . 11311 1 477 . 1 1 45 45 VAL C C 13 174.021 0.300 . 1 . . . . 45 VAL C . 11311 1 478 . 1 1 45 45 VAL CA C 13 61.099 0.300 . 1 . . . . 45 VAL CA . 11311 1 479 . 1 1 45 45 VAL CB C 13 33.884 0.300 . 1 . . . . 45 VAL CB . 11311 1 480 . 1 1 45 45 VAL CG1 C 13 19.540 0.300 . 2 . . . . 45 VAL CG1 . 11311 1 481 . 1 1 45 45 VAL CG2 C 13 22.015 0.300 . 2 . . . . 45 VAL CG2 . 11311 1 482 . 1 1 45 45 VAL N N 15 126.819 0.300 . 1 . . . . 45 VAL N . 11311 1 483 . 1 1 46 46 PHE H H 1 9.063 0.030 . 1 . . . . 46 PHE H . 11311 1 484 . 1 1 46 46 PHE HA H 1 5.317 0.030 . 1 . . . . 46 PHE HA . 11311 1 485 . 1 1 46 46 PHE HB2 H 1 2.916 0.030 . 2 . . . . 46 PHE HB2 . 11311 1 486 . 1 1 46 46 PHE HB3 H 1 3.240 0.030 . 2 . . . . 46 PHE HB3 . 11311 1 487 . 1 1 46 46 PHE HD1 H 1 7.119 0.030 . 1 . . . . 46 PHE HD1 . 11311 1 488 . 1 1 46 46 PHE HD2 H 1 7.119 0.030 . 1 . . . . 46 PHE HD2 . 11311 1 489 . 1 1 46 46 PHE HE1 H 1 6.755 0.030 . 1 . . . . 46 PHE HE1 . 11311 1 490 . 1 1 46 46 PHE HE2 H 1 6.755 0.030 . 1 . . . . 46 PHE HE2 . 11311 1 491 . 1 1 46 46 PHE HZ H 1 6.755 0.030 . 1 . . . . 46 PHE HZ . 11311 1 492 . 1 1 46 46 PHE C C 13 173.413 0.300 . 1 . . . . 46 PHE C . 11311 1 493 . 1 1 46 46 PHE CA C 13 57.668 0.300 . 1 . . . . 46 PHE CA . 11311 1 494 . 1 1 46 46 PHE CB C 13 38.507 0.300 . 1 . . . . 46 PHE CB . 11311 1 495 . 1 1 46 46 PHE CD1 C 13 132.706 0.300 . 1 . . . . 46 PHE CD1 . 11311 1 496 . 1 1 46 46 PHE CD2 C 13 132.706 0.300 . 1 . . . . 46 PHE CD2 . 11311 1 497 . 1 1 46 46 PHE CE1 C 13 130.686 0.300 . 1 . . . . 46 PHE CE1 . 11311 1 498 . 1 1 46 46 PHE CE2 C 13 130.686 0.300 . 1 . . . . 46 PHE CE2 . 11311 1 499 . 1 1 46 46 PHE CZ C 13 128.059 0.300 . 1 . . . . 46 PHE CZ . 11311 1 500 . 1 1 46 46 PHE N N 15 128.511 0.300 . 1 . . . . 46 PHE N . 11311 1 501 . 1 1 47 47 ALA H H 1 8.643 0.030 . 1 . . . . 47 ALA H . 11311 1 502 . 1 1 47 47 ALA HA H 1 4.562 0.030 . 1 . . . . 47 ALA HA . 11311 1 503 . 1 1 47 47 ALA HB1 H 1 0.793 0.030 . 1 . . . . 47 ALA HB . 11311 1 504 . 1 1 47 47 ALA HB2 H 1 0.793 0.030 . 1 . . . . 47 ALA HB . 11311 1 505 . 1 1 47 47 ALA HB3 H 1 0.793 0.030 . 1 . . . . 47 ALA HB . 11311 1 506 . 1 1 47 47 ALA C C 13 174.317 0.300 . 1 . . . . 47 ALA C . 11311 1 507 . 1 1 47 47 ALA CA C 13 49.001 0.300 . 1 . . . . 47 ALA CA . 11311 1 508 . 1 1 47 47 ALA CB C 13 22.873 0.300 . 1 . . . . 47 ALA CB . 11311 1 509 . 1 1 47 47 ALA N N 15 125.995 0.300 . 1 . . . . 47 ALA N . 11311 1 510 . 1 1 48 48 PRO HA H 1 4.986 0.030 . 1 . . . . 48 PRO HA . 11311 1 511 . 1 1 48 48 PRO HB2 H 1 1.584 0.030 . 2 . . . . 48 PRO HB2 . 11311 1 512 . 1 1 48 48 PRO HB3 H 1 1.722 0.030 . 2 . . . . 48 PRO HB3 . 11311 1 513 . 1 1 48 48 PRO HD2 H 1 3.587 0.030 . 1 . . . . 48 PRO HD2 . 11311 1 514 . 1 1 48 48 PRO HD3 H 1 3.587 0.030 . 1 . . . . 48 PRO HD3 . 11311 1 515 . 1 1 48 48 PRO HG2 H 1 1.657 0.030 . 2 . . . . 48 PRO HG2 . 11311 1 516 . 1 1 48 48 PRO HG3 H 1 1.848 0.030 . 2 . . . . 48 PRO HG3 . 11311 1 517 . 1 1 48 48 PRO C C 13 177.751 0.300 . 1 . . . . 48 PRO C . 11311 1 518 . 1 1 48 48 PRO CA C 13 61.028 0.300 . 1 . . . . 48 PRO CA . 11311 1 519 . 1 1 48 48 PRO CB C 13 31.857 0.300 . 1 . . . . 48 PRO CB . 11311 1 520 . 1 1 48 48 PRO CD C 13 51.583 0.300 . 1 . . . . 48 PRO CD . 11311 1 521 . 1 1 48 48 PRO CG C 13 28.367 0.300 . 1 . . . . 48 PRO CG . 11311 1 522 . 1 1 49 49 THR H H 1 7.754 0.030 . 1 . . . . 49 THR H . 11311 1 523 . 1 1 49 49 THR HA H 1 4.447 0.030 . 1 . . . . 49 THR HA . 11311 1 524 . 1 1 49 49 THR HB H 1 4.743 0.030 . 1 . . . . 49 THR HB . 11311 1 525 . 1 1 49 49 THR HG21 H 1 1.235 0.030 . 1 . . . . 49 THR HG2 . 11311 1 526 . 1 1 49 49 THR HG22 H 1 1.235 0.030 . 1 . . . . 49 THR HG2 . 11311 1 527 . 1 1 49 49 THR HG23 H 1 1.235 0.030 . 1 . . . . 49 THR HG2 . 11311 1 528 . 1 1 49 49 THR C C 13 176.373 0.300 . 1 . . . . 49 THR C . 11311 1 529 . 1 1 49 49 THR CA C 13 60.745 0.300 . 1 . . . . 49 THR CA . 11311 1 530 . 1 1 49 49 THR CB C 13 71.314 0.300 . 1 . . . . 49 THR CB . 11311 1 531 . 1 1 49 49 THR CG2 C 13 22.855 0.300 . 1 . . . . 49 THR CG2 . 11311 1 532 . 1 1 49 49 THR N N 15 112.088 0.300 . 1 . . . . 49 THR N . 11311 1 533 . 1 1 50 50 ASN H H 1 8.879 0.030 . 1 . . . . 50 ASN H . 11311 1 534 . 1 1 50 50 ASN HA H 1 4.678 0.030 . 1 . . . . 50 ASN HA . 11311 1 535 . 1 1 50 50 ASN HB2 H 1 2.781 0.030 . 2 . . . . 50 ASN HB2 . 11311 1 536 . 1 1 50 50 ASN HB3 H 1 2.944 0.030 . 2 . . . . 50 ASN HB3 . 11311 1 537 . 1 1 50 50 ASN HD21 H 1 7.371 0.030 . 2 . . . . 50 ASN HD21 . 11311 1 538 . 1 1 50 50 ASN HD22 H 1 7.514 0.030 . 2 . . . . 50 ASN HD22 . 11311 1 539 . 1 1 50 50 ASN C C 13 178.307 0.300 . 1 . . . . 50 ASN C . 11311 1 540 . 1 1 50 50 ASN CA C 13 56.324 0.300 . 1 . . . . 50 ASN CA . 11311 1 541 . 1 1 50 50 ASN CB C 13 37.158 0.300 . 1 . . . . 50 ASN CB . 11311 1 542 . 1 1 50 50 ASN N N 15 119.141 0.300 . 1 . . . . 50 ASN N . 11311 1 543 . 1 1 50 50 ASN ND2 N 15 111.340 0.300 . 1 . . . . 50 ASN ND2 . 11311 1 544 . 1 1 51 51 GLU H H 1 8.266 0.030 . 1 . . . . 51 GLU H . 11311 1 545 . 1 1 51 51 GLU HA H 1 3.904 0.030 . 1 . . . . 51 GLU HA . 11311 1 546 . 1 1 51 51 GLU HB2 H 1 1.977 0.030 . 1 . . . . 51 GLU HB2 . 11311 1 547 . 1 1 51 51 GLU HB3 H 1 1.977 0.030 . 1 . . . . 51 GLU HB3 . 11311 1 548 . 1 1 51 51 GLU HG2 H 1 2.349 0.030 . 2 . . . . 51 GLU HG2 . 11311 1 549 . 1 1 51 51 GLU HG3 H 1 2.413 0.030 . 2 . . . . 51 GLU HG3 . 11311 1 550 . 1 1 51 51 GLU C C 13 178.180 0.300 . 1 . . . . 51 GLU C . 11311 1 551 . 1 1 51 51 GLU CA C 13 59.856 0.300 . 1 . . . . 51 GLU CA . 11311 1 552 . 1 1 51 51 GLU CB C 13 29.288 0.300 . 1 . . . . 51 GLU CB . 11311 1 553 . 1 1 51 51 GLU CG C 13 36.914 0.300 . 1 . . . . 51 GLU CG . 11311 1 554 . 1 1 51 51 GLU N N 15 118.606 0.300 . 1 . . . . 51 GLU N . 11311 1 555 . 1 1 52 52 ALA H H 1 7.462 0.030 . 1 . . . . 52 ALA H . 11311 1 556 . 1 1 52 52 ALA HA H 1 4.027 0.030 . 1 . . . . 52 ALA HA . 11311 1 557 . 1 1 52 52 ALA HB1 H 1 1.185 0.030 . 1 . . . . 52 ALA HB . 11311 1 558 . 1 1 52 52 ALA HB2 H 1 1.185 0.030 . 1 . . . . 52 ALA HB . 11311 1 559 . 1 1 52 52 ALA HB3 H 1 1.185 0.030 . 1 . . . . 52 ALA HB . 11311 1 560 . 1 1 52 52 ALA C C 13 180.348 0.300 . 1 . . . . 52 ALA C . 11311 1 561 . 1 1 52 52 ALA CA C 13 55.090 0.300 . 1 . . . . 52 ALA CA . 11311 1 562 . 1 1 52 52 ALA CB C 13 19.567 0.300 . 1 . . . . 52 ALA CB . 11311 1 563 . 1 1 52 52 ALA N N 15 122.029 0.300 . 1 . . . . 52 ALA N . 11311 1 564 . 1 1 53 53 PHE H H 1 7.319 0.030 . 1 . . . . 53 PHE H . 11311 1 565 . 1 1 53 53 PHE HA H 1 4.022 0.030 . 1 . . . . 53 PHE HA . 11311 1 566 . 1 1 53 53 PHE HB2 H 1 2.888 0.030 . 2 . . . . 53 PHE HB2 . 11311 1 567 . 1 1 53 53 PHE HB3 H 1 3.364 0.030 . 2 . . . . 53 PHE HB3 . 11311 1 568 . 1 1 53 53 PHE HD1 H 1 7.238 0.030 . 1 . . . . 53 PHE HD1 . 11311 1 569 . 1 1 53 53 PHE HD2 H 1 7.238 0.030 . 1 . . . . 53 PHE HD2 . 11311 1 570 . 1 1 53 53 PHE HE1 H 1 7.081 0.030 . 1 . . . . 53 PHE HE1 . 11311 1 571 . 1 1 53 53 PHE HE2 H 1 7.081 0.030 . 1 . . . . 53 PHE HE2 . 11311 1 572 . 1 1 53 53 PHE HZ H 1 6.769 0.030 . 1 . . . . 53 PHE HZ . 11311 1 573 . 1 1 53 53 PHE C C 13 179.116 0.300 . 1 . . . . 53 PHE C . 11311 1 574 . 1 1 53 53 PHE CA C 13 62.110 0.300 . 1 . . . . 53 PHE CA . 11311 1 575 . 1 1 53 53 PHE CB C 13 39.772 0.300 . 1 . . . . 53 PHE CB . 11311 1 576 . 1 1 53 53 PHE CD1 C 13 131.993 0.300 . 1 . . . . 53 PHE CD1 . 11311 1 577 . 1 1 53 53 PHE CD2 C 13 131.993 0.300 . 1 . . . . 53 PHE CD2 . 11311 1 578 . 1 1 53 53 PHE CE1 C 13 130.775 0.300 . 1 . . . . 53 PHE CE1 . 11311 1 579 . 1 1 53 53 PHE CE2 C 13 130.775 0.300 . 1 . . . . 53 PHE CE2 . 11311 1 580 . 1 1 53 53 PHE CZ C 13 127.488 0.300 . 1 . . . . 53 PHE CZ . 11311 1 581 . 1 1 53 53 PHE N N 15 115.149 0.300 . 1 . . . . 53 PHE N . 11311 1 582 . 1 1 54 54 ARG H H 1 8.267 0.030 . 1 . . . . 54 ARG H . 11311 1 583 . 1 1 54 54 ARG HA H 1 3.968 0.030 . 1 . . . . 54 ARG HA . 11311 1 584 . 1 1 54 54 ARG HB2 H 1 1.801 0.030 . 2 . . . . 54 ARG HB2 . 11311 1 585 . 1 1 54 54 ARG HB3 H 1 1.953 0.030 . 2 . . . . 54 ARG HB3 . 11311 1 586 . 1 1 54 54 ARG HD2 H 1 3.187 0.030 . 2 . . . . 54 ARG HD2 . 11311 1 587 . 1 1 54 54 ARG HD3 H 1 3.118 0.030 . 2 . . . . 54 ARG HD3 . 11311 1 588 . 1 1 54 54 ARG HG2 H 1 1.600 0.030 . 2 . . . . 54 ARG HG2 . 11311 1 589 . 1 1 54 54 ARG HG3 H 1 1.809 0.030 . 2 . . . . 54 ARG HG3 . 11311 1 590 . 1 1 54 54 ARG C C 13 176.326 0.300 . 1 . . . . 54 ARG C . 11311 1 591 . 1 1 54 54 ARG CA C 13 58.985 0.300 . 1 . . . . 54 ARG CA . 11311 1 592 . 1 1 54 54 ARG CB C 13 30.181 0.300 . 1 . . . . 54 ARG CB . 11311 1 593 . 1 1 54 54 ARG CD C 13 43.589 0.300 . 1 . . . . 54 ARG CD . 11311 1 594 . 1 1 54 54 ARG CG C 13 28.742 0.300 . 1 . . . . 54 ARG CG . 11311 1 595 . 1 1 54 54 ARG N N 15 118.478 0.300 . 1 . . . . 54 ARG N . 11311 1 596 . 1 1 55 55 ALA H H 1 7.401 0.030 . 1 . . . . 55 ALA H . 11311 1 597 . 1 1 55 55 ALA HA H 1 4.258 0.030 . 1 . . . . 55 ALA HA . 11311 1 598 . 1 1 55 55 ALA HB1 H 1 1.541 0.030 . 1 . . . . 55 ALA HB . 11311 1 599 . 1 1 55 55 ALA HB2 H 1 1.541 0.030 . 1 . . . . 55 ALA HB . 11311 1 600 . 1 1 55 55 ALA HB3 H 1 1.541 0.030 . 1 . . . . 55 ALA HB . 11311 1 601 . 1 1 55 55 ALA C C 13 178.691 0.300 . 1 . . . . 55 ALA C . 11311 1 602 . 1 1 55 55 ALA CA C 13 52.631 0.300 . 1 . . . . 55 ALA CA . 11311 1 603 . 1 1 55 55 ALA CB C 13 18.923 0.300 . 1 . . . . 55 ALA CB . 11311 1 604 . 1 1 55 55 ALA N N 15 118.875 0.300 . 1 . . . . 55 ALA N . 11311 1 605 . 1 1 56 56 LEU H H 1 7.103 0.030 . 1 . . . . 56 LEU H . 11311 1 606 . 1 1 56 56 LEU HA H 1 4.515 0.030 . 1 . . . . 56 LEU HA . 11311 1 607 . 1 1 56 56 LEU HB2 H 1 1.243 0.030 . 2 . . . . 56 LEU HB2 . 11311 1 608 . 1 1 56 56 LEU HB3 H 1 1.898 0.030 . 2 . . . . 56 LEU HB3 . 11311 1 609 . 1 1 56 56 LEU HD11 H 1 0.942 0.030 . 1 . . . . 56 LEU HD1 . 11311 1 610 . 1 1 56 56 LEU HD12 H 1 0.942 0.030 . 1 . . . . 56 LEU HD1 . 11311 1 611 . 1 1 56 56 LEU HD13 H 1 0.942 0.030 . 1 . . . . 56 LEU HD1 . 11311 1 612 . 1 1 56 56 LEU HD21 H 1 0.896 0.030 . 1 . . . . 56 LEU HD2 . 11311 1 613 . 1 1 56 56 LEU HD22 H 1 0.896 0.030 . 1 . . . . 56 LEU HD2 . 11311 1 614 . 1 1 56 56 LEU HD23 H 1 0.896 0.030 . 1 . . . . 56 LEU HD2 . 11311 1 615 . 1 1 56 56 LEU HG H 1 1.982 0.030 . 1 . . . . 56 LEU HG . 11311 1 616 . 1 1 56 56 LEU C C 13 174.390 0.300 . 1 . . . . 56 LEU C . 11311 1 617 . 1 1 56 56 LEU CA C 13 53.317 0.300 . 1 . . . . 56 LEU CA . 11311 1 618 . 1 1 56 56 LEU CB C 13 42.309 0.300 . 1 . . . . 56 LEU CB . 11311 1 619 . 1 1 56 56 LEU CD1 C 13 26.211 0.300 . 2 . . . . 56 LEU CD1 . 11311 1 620 . 1 1 56 56 LEU CD2 C 13 23.271 0.300 . 2 . . . . 56 LEU CD2 . 11311 1 621 . 1 1 56 56 LEU CG C 13 26.512 0.300 . 1 . . . . 56 LEU CG . 11311 1 622 . 1 1 56 56 LEU N N 15 119.703 0.300 . 1 . . . . 56 LEU N . 11311 1 623 . 1 1 57 57 PRO HA H 1 4.759 0.030 . 1 . . . . 57 PRO HA . 11311 1 624 . 1 1 57 57 PRO HB2 H 1 2.557 0.030 . 2 . . . . 57 PRO HB2 . 11311 1 625 . 1 1 57 57 PRO HB3 H 1 1.962 0.030 . 2 . . . . 57 PRO HB3 . 11311 1 626 . 1 1 57 57 PRO HD2 H 1 4.085 0.030 . 2 . . . . 57 PRO HD2 . 11311 1 627 . 1 1 57 57 PRO HD3 H 1 3.530 0.030 . 2 . . . . 57 PRO HD3 . 11311 1 628 . 1 1 57 57 PRO HG2 H 1 2.169 0.030 . 1 . . . . 57 PRO HG2 . 11311 1 629 . 1 1 57 57 PRO HG3 H 1 2.169 0.030 . 1 . . . . 57 PRO HG3 . 11311 1 630 . 1 1 57 57 PRO CA C 13 61.500 0.300 . 1 . . . . 57 PRO CA . 11311 1 631 . 1 1 57 57 PRO CB C 13 31.261 0.300 . 1 . . . . 57 PRO CB . 11311 1 632 . 1 1 57 57 PRO CD C 13 50.497 0.300 . 1 . . . . 57 PRO CD . 11311 1 633 . 1 1 57 57 PRO CG C 13 28.181 0.300 . 1 . . . . 57 PRO CG . 11311 1 634 . 1 1 58 58 PRO HA H 1 4.099 0.030 . 1 . . . . 58 PRO HA . 11311 1 635 . 1 1 58 58 PRO HB2 H 1 2.391 0.030 . 2 . . . . 58 PRO HB2 . 11311 1 636 . 1 1 58 58 PRO HB3 H 1 2.032 0.030 . 2 . . . . 58 PRO HB3 . 11311 1 637 . 1 1 58 58 PRO HD2 H 1 3.890 0.030 . 2 . . . . 58 PRO HD2 . 11311 1 638 . 1 1 58 58 PRO HD3 H 1 3.927 0.030 . 2 . . . . 58 PRO HD3 . 11311 1 639 . 1 1 58 58 PRO HG2 H 1 2.105 0.030 . 2 . . . . 58 PRO HG2 . 11311 1 640 . 1 1 58 58 PRO HG3 H 1 2.229 0.030 . 2 . . . . 58 PRO HG3 . 11311 1 641 . 1 1 58 58 PRO CA C 13 66.395 0.300 . 1 . . . . 58 PRO CA . 11311 1 642 . 1 1 58 58 PRO CB C 13 32.128 0.300 . 1 . . . . 58 PRO CB . 11311 1 643 . 1 1 58 58 PRO CD C 13 50.431 0.300 . 1 . . . . 58 PRO CD . 11311 1 644 . 1 1 58 58 PRO CG C 13 27.634 0.300 . 1 . . . . 58 PRO CG . 11311 1 645 . 1 1 59 59 ARG HA H 1 4.138 0.030 . 1 . . . . 59 ARG HA . 11311 1 646 . 1 1 59 59 ARG HB2 H 1 1.813 0.030 . 2 . . . . 59 ARG HB2 . 11311 1 647 . 1 1 59 59 ARG HB3 H 1 1.913 0.030 . 2 . . . . 59 ARG HB3 . 11311 1 648 . 1 1 59 59 ARG HD2 H 1 3.218 0.030 . 1 . . . . 59 ARG HD2 . 11311 1 649 . 1 1 59 59 ARG HD3 H 1 3.218 0.030 . 1 . . . . 59 ARG HD3 . 11311 1 650 . 1 1 59 59 ARG HG2 H 1 1.732 0.030 . 2 . . . . 59 ARG HG2 . 11311 1 651 . 1 1 59 59 ARG HG3 H 1 1.609 0.030 . 2 . . . . 59 ARG HG3 . 11311 1 652 . 1 1 59 59 ARG C C 13 178.963 0.300 . 1 . . . . 59 ARG C . 11311 1 653 . 1 1 59 59 ARG CA C 13 59.366 0.300 . 1 . . . . 59 ARG CA . 11311 1 654 . 1 1 59 59 ARG CB C 13 29.670 0.300 . 1 . . . . 59 ARG CB . 11311 1 655 . 1 1 59 59 ARG CD C 13 43.329 0.300 . 1 . . . . 59 ARG CD . 11311 1 656 . 1 1 59 59 ARG CG C 13 27.485 0.300 . 1 . . . . 59 ARG CG . 11311 1 657 . 1 1 60 60 GLU H H 1 7.505 0.030 . 1 . . . . 60 GLU H . 11311 1 658 . 1 1 60 60 GLU HA H 1 4.347 0.030 . 1 . . . . 60 GLU HA . 11311 1 659 . 1 1 60 60 GLU HB2 H 1 2.073 0.030 . 1 . . . . 60 GLU HB2 . 11311 1 660 . 1 1 60 60 GLU HB3 H 1 2.073 0.030 . 1 . . . . 60 GLU HB3 . 11311 1 661 . 1 1 60 60 GLU HG2 H 1 2.346 0.030 . 1 . . . . 60 GLU HG2 . 11311 1 662 . 1 1 60 60 GLU HG3 H 1 2.346 0.030 . 1 . . . . 60 GLU HG3 . 11311 1 663 . 1 1 60 60 GLU C C 13 178.354 0.300 . 1 . . . . 60 GLU C . 11311 1 664 . 1 1 60 60 GLU CA C 13 58.305 0.300 . 1 . . . . 60 GLU CA . 11311 1 665 . 1 1 60 60 GLU CB C 13 29.908 0.300 . 1 . . . . 60 GLU CB . 11311 1 666 . 1 1 60 60 GLU CG C 13 36.036 0.300 . 1 . . . . 60 GLU CG . 11311 1 667 . 1 1 60 60 GLU N N 15 119.806 0.300 . 1 . . . . 60 GLU N . 11311 1 668 . 1 1 61 61 ARG H H 1 8.487 0.030 . 1 . . . . 61 ARG H . 11311 1 669 . 1 1 61 61 ARG HA H 1 3.826 0.030 . 1 . . . . 61 ARG HA . 11311 1 670 . 1 1 61 61 ARG HB2 H 1 1.901 0.030 . 2 . . . . 61 ARG HB2 . 11311 1 671 . 1 1 61 61 ARG HB3 H 1 1.872 0.030 . 2 . . . . 61 ARG HB3 . 11311 1 672 . 1 1 61 61 ARG HD2 H 1 3.294 0.030 . 1 . . . . 61 ARG HD2 . 11311 1 673 . 1 1 61 61 ARG HD3 H 1 3.294 0.030 . 1 . . . . 61 ARG HD3 . 11311 1 674 . 1 1 61 61 ARG HG2 H 1 1.660 0.030 . 1 . . . . 61 ARG HG2 . 11311 1 675 . 1 1 61 61 ARG HG3 H 1 1.660 0.030 . 1 . . . . 61 ARG HG3 . 11311 1 676 . 1 1 61 61 ARG C C 13 177.885 0.300 . 1 . . . . 61 ARG C . 11311 1 677 . 1 1 61 61 ARG CA C 13 60.224 0.300 . 1 . . . . 61 ARG CA . 11311 1 678 . 1 1 61 61 ARG CB C 13 30.346 0.300 . 1 . . . . 61 ARG CB . 11311 1 679 . 1 1 61 61 ARG CD C 13 43.588 0.300 . 1 . . . . 61 ARG CD . 11311 1 680 . 1 1 61 61 ARG CG C 13 27.858 0.300 . 1 . . . . 61 ARG CG . 11311 1 681 . 1 1 61 61 ARG N N 15 120.248 0.300 . 1 . . . . 61 ARG N . 11311 1 682 . 1 1 62 62 SER H H 1 8.185 0.030 . 1 . . . . 62 SER H . 11311 1 683 . 1 1 62 62 SER HA H 1 4.125 0.030 . 1 . . . . 62 SER HA . 11311 1 684 . 1 1 62 62 SER HB2 H 1 3.909 0.030 . 1 . . . . 62 SER HB2 . 11311 1 685 . 1 1 62 62 SER HB3 H 1 3.909 0.030 . 1 . . . . 62 SER HB3 . 11311 1 686 . 1 1 62 62 SER C C 13 177.088 0.300 . 1 . . . . 62 SER C . 11311 1 687 . 1 1 62 62 SER CA C 13 61.564 0.300 . 1 . . . . 62 SER CA . 11311 1 688 . 1 1 62 62 SER CB C 13 62.686 0.300 . 1 . . . . 62 SER CB . 11311 1 689 . 1 1 62 62 SER N N 15 111.811 0.300 . 1 . . . . 62 SER N . 11311 1 690 . 1 1 63 63 ARG H H 1 7.581 0.030 . 1 . . . . 63 ARG H . 11311 1 691 . 1 1 63 63 ARG HA H 1 4.048 0.030 . 1 . . . . 63 ARG HA . 11311 1 692 . 1 1 63 63 ARG HB2 H 1 1.950 0.030 . 1 . . . . 63 ARG HB2 . 11311 1 693 . 1 1 63 63 ARG HB3 H 1 1.950 0.030 . 1 . . . . 63 ARG HB3 . 11311 1 694 . 1 1 63 63 ARG HD2 H 1 3.105 0.030 . 2 . . . . 63 ARG HD2 . 11311 1 695 . 1 1 63 63 ARG HD3 H 1 3.321 0.030 . 2 . . . . 63 ARG HD3 . 11311 1 696 . 1 1 63 63 ARG HG2 H 1 1.524 0.030 . 2 . . . . 63 ARG HG2 . 11311 1 697 . 1 1 63 63 ARG HG3 H 1 1.726 0.030 . 2 . . . . 63 ARG HG3 . 11311 1 698 . 1 1 63 63 ARG C C 13 178.097 0.300 . 1 . . . . 63 ARG C . 11311 1 699 . 1 1 63 63 ARG CA C 13 59.012 0.300 . 1 . . . . 63 ARG CA . 11311 1 700 . 1 1 63 63 ARG CB C 13 30.511 0.300 . 1 . . . . 63 ARG CB . 11311 1 701 . 1 1 63 63 ARG CD C 13 43.195 0.300 . 1 . . . . 63 ARG CD . 11311 1 702 . 1 1 63 63 ARG CG C 13 27.446 0.300 . 1 . . . . 63 ARG CG . 11311 1 703 . 1 1 63 63 ARG N N 15 122.486 0.300 . 1 . . . . 63 ARG N . 11311 1 704 . 1 1 64 64 LEU H H 1 8.029 0.030 . 1 . . . . 64 LEU H . 11311 1 705 . 1 1 64 64 LEU HA H 1 4.095 0.030 . 1 . . . . 64 LEU HA . 11311 1 706 . 1 1 64 64 LEU HB2 H 1 1.807 0.030 . 2 . . . . 64 LEU HB2 . 11311 1 707 . 1 1 64 64 LEU HB3 H 1 1.609 0.030 . 2 . . . . 64 LEU HB3 . 11311 1 708 . 1 1 64 64 LEU HD11 H 1 0.919 0.030 . 1 . . . . 64 LEU HD1 . 11311 1 709 . 1 1 64 64 LEU HD12 H 1 0.919 0.030 . 1 . . . . 64 LEU HD1 . 11311 1 710 . 1 1 64 64 LEU HD13 H 1 0.919 0.030 . 1 . . . . 64 LEU HD1 . 11311 1 711 . 1 1 64 64 LEU HD21 H 1 0.878 0.030 . 1 . . . . 64 LEU HD2 . 11311 1 712 . 1 1 64 64 LEU HD22 H 1 0.878 0.030 . 1 . . . . 64 LEU HD2 . 11311 1 713 . 1 1 64 64 LEU HD23 H 1 0.878 0.030 . 1 . . . . 64 LEU HD2 . 11311 1 714 . 1 1 64 64 LEU HG H 1 1.748 0.030 . 1 . . . . 64 LEU HG . 11311 1 715 . 1 1 64 64 LEU C C 13 177.144 0.300 . 1 . . . . 64 LEU C . 11311 1 716 . 1 1 64 64 LEU CA C 13 57.661 0.300 . 1 . . . . 64 LEU CA . 11311 1 717 . 1 1 64 64 LEU CB C 13 42.488 0.300 . 1 . . . . 64 LEU CB . 11311 1 718 . 1 1 64 64 LEU CD1 C 13 24.534 0.300 . 2 . . . . 64 LEU CD1 . 11311 1 719 . 1 1 64 64 LEU CD2 C 13 24.088 0.300 . 2 . . . . 64 LEU CD2 . 11311 1 720 . 1 1 64 64 LEU CG C 13 27.136 0.300 . 1 . . . . 64 LEU CG . 11311 1 721 . 1 1 64 64 LEU N N 15 117.725 0.300 . 1 . . . . 64 LEU N . 11311 1 722 . 1 1 65 65 LEU H H 1 7.825 0.030 . 1 . . . . 65 LEU H . 11311 1 723 . 1 1 65 65 LEU HA H 1 4.202 0.030 . 1 . . . . 65 LEU HA . 11311 1 724 . 1 1 65 65 LEU HB2 H 1 1.471 0.030 . 2 . . . . 65 LEU HB2 . 11311 1 725 . 1 1 65 65 LEU HB3 H 1 1.779 0.030 . 2 . . . . 65 LEU HB3 . 11311 1 726 . 1 1 65 65 LEU HD11 H 1 0.811 0.030 . 1 . . . . 65 LEU HD1 . 11311 1 727 . 1 1 65 65 LEU HD12 H 1 0.811 0.030 . 1 . . . . 65 LEU HD1 . 11311 1 728 . 1 1 65 65 LEU HD13 H 1 0.811 0.030 . 1 . . . . 65 LEU HD1 . 11311 1 729 . 1 1 65 65 LEU HD21 H 1 0.758 0.030 . 1 . . . . 65 LEU HD2 . 11311 1 730 . 1 1 65 65 LEU HD22 H 1 0.758 0.030 . 1 . . . . 65 LEU HD2 . 11311 1 731 . 1 1 65 65 LEU HD23 H 1 0.758 0.030 . 1 . . . . 65 LEU HD2 . 11311 1 732 . 1 1 65 65 LEU HG H 1 1.816 0.030 . 1 . . . . 65 LEU HG . 11311 1 733 . 1 1 65 65 LEU C C 13 178.995 0.300 . 1 . . . . 65 LEU C . 11311 1 734 . 1 1 65 65 LEU CA C 13 56.161 0.300 . 1 . . . . 65 LEU CA . 11311 1 735 . 1 1 65 65 LEU CB C 13 41.091 0.300 . 1 . . . . 65 LEU CB . 11311 1 736 . 1 1 65 65 LEU CD1 C 13 25.375 0.300 . 2 . . . . 65 LEU CD1 . 11311 1 737 . 1 1 65 65 LEU CD2 C 13 22.225 0.300 . 2 . . . . 65 LEU CD2 . 11311 1 738 . 1 1 65 65 LEU CG C 13 27.385 0.300 . 1 . . . . 65 LEU CG . 11311 1 739 . 1 1 65 65 LEU N N 15 111.881 0.300 . 1 . . . . 65 LEU N . 11311 1 740 . 1 1 66 66 GLY H H 1 7.551 0.030 . 1 . . . . 66 GLY H . 11311 1 741 . 1 1 66 66 GLY HA2 H 1 3.748 0.030 . 2 . . . . 66 GLY HA2 . 11311 1 742 . 1 1 66 66 GLY HA3 H 1 4.183 0.030 . 2 . . . . 66 GLY HA3 . 11311 1 743 . 1 1 66 66 GLY C C 13 173.211 0.300 . 1 . . . . 66 GLY C . 11311 1 744 . 1 1 66 66 GLY CA C 13 45.429 0.300 . 1 . . . . 66 GLY CA . 11311 1 745 . 1 1 66 66 GLY N N 15 104.530 0.300 . 1 . . . . 66 GLY N . 11311 1 746 . 1 1 67 67 ASP H H 1 7.225 0.030 . 1 . . . . 67 ASP H . 11311 1 747 . 1 1 67 67 ASP HA H 1 4.885 0.030 . 1 . . . . 67 ASP HA . 11311 1 748 . 1 1 67 67 ASP HB2 H 1 3.058 0.030 . 2 . . . . 67 ASP HB2 . 11311 1 749 . 1 1 67 67 ASP HB3 H 1 2.559 0.030 . 2 . . . . 67 ASP HB3 . 11311 1 750 . 1 1 67 67 ASP C C 13 174.736 0.300 . 1 . . . . 67 ASP C . 11311 1 751 . 1 1 67 67 ASP CA C 13 52.539 0.300 . 1 . . . . 67 ASP CA . 11311 1 752 . 1 1 67 67 ASP CB C 13 42.134 0.300 . 1 . . . . 67 ASP CB . 11311 1 753 . 1 1 67 67 ASP N N 15 120.724 0.300 . 1 . . . . 67 ASP N . 11311 1 754 . 1 1 68 68 ALA H H 1 8.693 0.030 . 1 . . . . 68 ALA H . 11311 1 755 . 1 1 68 68 ALA HA H 1 4.013 0.030 . 1 . . . . 68 ALA HA . 11311 1 756 . 1 1 68 68 ALA HB1 H 1 1.467 0.030 . 1 . . . . 68 ALA HB . 11311 1 757 . 1 1 68 68 ALA HB2 H 1 1.467 0.030 . 1 . . . . 68 ALA HB . 11311 1 758 . 1 1 68 68 ALA HB3 H 1 1.467 0.030 . 1 . . . . 68 ALA HB . 11311 1 759 . 1 1 68 68 ALA C C 13 180.079 0.300 . 1 . . . . 68 ALA C . 11311 1 760 . 1 1 68 68 ALA CA C 13 55.642 0.300 . 1 . . . . 68 ALA CA . 11311 1 761 . 1 1 68 68 ALA CB C 13 18.746 0.300 . 1 . . . . 68 ALA CB . 11311 1 762 . 1 1 68 68 ALA N N 15 126.952 0.300 . 1 . . . . 68 ALA N . 11311 1 763 . 1 1 69 69 LYS H H 1 8.129 0.030 . 1 . . . . 69 LYS H . 11311 1 764 . 1 1 69 69 LYS HA H 1 4.142 0.030 . 1 . . . . 69 LYS HA . 11311 1 765 . 1 1 69 69 LYS HB2 H 1 1.957 0.030 . 2 . . . . 69 LYS HB2 . 11311 1 766 . 1 1 69 69 LYS HB3 H 1 2.008 0.030 . 2 . . . . 69 LYS HB3 . 11311 1 767 . 1 1 69 69 LYS HD2 H 1 1.741 0.030 . 1 . . . . 69 LYS HD2 . 11311 1 768 . 1 1 69 69 LYS HD3 H 1 1.741 0.030 . 1 . . . . 69 LYS HD3 . 11311 1 769 . 1 1 69 69 LYS HE2 H 1 3.033 0.030 . 1 . . . . 69 LYS HE2 . 11311 1 770 . 1 1 69 69 LYS HE3 H 1 3.033 0.030 . 1 . . . . 69 LYS HE3 . 11311 1 771 . 1 1 69 69 LYS HG2 H 1 1.574 0.030 . 2 . . . . 69 LYS HG2 . 11311 1 772 . 1 1 69 69 LYS HG3 H 1 1.427 0.030 . 2 . . . . 69 LYS HG3 . 11311 1 773 . 1 1 69 69 LYS C C 13 179.539 0.300 . 1 . . . . 69 LYS C . 11311 1 774 . 1 1 69 69 LYS CA C 13 59.366 0.300 . 1 . . . . 69 LYS CA . 11311 1 775 . 1 1 69 69 LYS CB C 13 31.994 0.300 . 1 . . . . 69 LYS CB . 11311 1 776 . 1 1 69 69 LYS CD C 13 29.136 0.300 . 1 . . . . 69 LYS CD . 11311 1 777 . 1 1 69 69 LYS CE C 13 42.028 0.300 . 1 . . . . 69 LYS CE . 11311 1 778 . 1 1 69 69 LYS CG C 13 25.070 0.300 . 1 . . . . 69 LYS CG . 11311 1 779 . 1 1 69 69 LYS N N 15 118.243 0.300 . 1 . . . . 69 LYS N . 11311 1 780 . 1 1 70 70 GLU H H 1 7.818 0.030 . 1 . . . . 70 GLU H . 11311 1 781 . 1 1 70 70 GLU HA H 1 4.262 0.030 . 1 . . . . 70 GLU HA . 11311 1 782 . 1 1 70 70 GLU HB2 H 1 2.077 0.030 . 1 . . . . 70 GLU HB2 . 11311 1 783 . 1 1 70 70 GLU HB3 H 1 2.077 0.030 . 1 . . . . 70 GLU HB3 . 11311 1 784 . 1 1 70 70 GLU HG2 H 1 2.364 0.030 . 2 . . . . 70 GLU HG2 . 11311 1 785 . 1 1 70 70 GLU HG3 H 1 2.300 0.030 . 2 . . . . 70 GLU HG3 . 11311 1 786 . 1 1 70 70 GLU C C 13 179.327 0.300 . 1 . . . . 70 GLU C . 11311 1 787 . 1 1 70 70 GLU CA C 13 58.251 0.300 . 1 . . . . 70 GLU CA . 11311 1 788 . 1 1 70 70 GLU CB C 13 29.269 0.300 . 1 . . . . 70 GLU CB . 11311 1 789 . 1 1 70 70 GLU CG C 13 35.616 0.300 . 1 . . . . 70 GLU CG . 11311 1 790 . 1 1 70 70 GLU N N 15 121.719 0.300 . 1 . . . . 70 GLU N . 11311 1 791 . 1 1 71 71 LEU H H 1 8.789 0.030 . 1 . . . . 71 LEU H . 11311 1 792 . 1 1 71 71 LEU HA H 1 4.098 0.030 . 1 . . . . 71 LEU HA . 11311 1 793 . 1 1 71 71 LEU HB2 H 1 2.136 0.030 . 2 . . . . 71 LEU HB2 . 11311 1 794 . 1 1 71 71 LEU HB3 H 1 1.782 0.030 . 2 . . . . 71 LEU HB3 . 11311 1 795 . 1 1 71 71 LEU HD11 H 1 0.995 0.030 . 1 . . . . 71 LEU HD1 . 11311 1 796 . 1 1 71 71 LEU HD12 H 1 0.995 0.030 . 1 . . . . 71 LEU HD1 . 11311 1 797 . 1 1 71 71 LEU HD13 H 1 0.995 0.030 . 1 . . . . 71 LEU HD1 . 11311 1 798 . 1 1 71 71 LEU HD21 H 1 0.927 0.030 . 1 . . . . 71 LEU HD2 . 11311 1 799 . 1 1 71 71 LEU HD22 H 1 0.927 0.030 . 1 . . . . 71 LEU HD2 . 11311 1 800 . 1 1 71 71 LEU HD23 H 1 0.927 0.030 . 1 . . . . 71 LEU HD2 . 11311 1 801 . 1 1 71 71 LEU HG H 1 1.533 0.030 . 1 . . . . 71 LEU HG . 11311 1 802 . 1 1 71 71 LEU C C 13 178.606 0.300 . 1 . . . . 71 LEU C . 11311 1 803 . 1 1 71 71 LEU CA C 13 57.915 0.300 . 1 . . . . 71 LEU CA . 11311 1 804 . 1 1 71 71 LEU CB C 13 41.392 0.300 . 1 . . . . 71 LEU CB . 11311 1 805 . 1 1 71 71 LEU CD1 C 13 26.166 0.300 . 2 . . . . 71 LEU CD1 . 11311 1 806 . 1 1 71 71 LEU CD2 C 13 22.267 0.300 . 2 . . . . 71 LEU CD2 . 11311 1 807 . 1 1 71 71 LEU CG C 13 26.793 0.300 . 1 . . . . 71 LEU CG . 11311 1 808 . 1 1 71 71 LEU N N 15 120.879 0.300 . 1 . . . . 71 LEU N . 11311 1 809 . 1 1 72 72 ALA H H 1 8.043 0.030 . 1 . . . . 72 ALA H . 11311 1 810 . 1 1 72 72 ALA HA H 1 3.904 0.030 . 1 . . . . 72 ALA HA . 11311 1 811 . 1 1 72 72 ALA HB1 H 1 1.633 0.030 . 1 . . . . 72 ALA HB . 11311 1 812 . 1 1 72 72 ALA HB2 H 1 1.633 0.030 . 1 . . . . 72 ALA HB . 11311 1 813 . 1 1 72 72 ALA HB3 H 1 1.633 0.030 . 1 . . . . 72 ALA HB . 11311 1 814 . 1 1 72 72 ALA C C 13 178.779 0.300 . 1 . . . . 72 ALA C . 11311 1 815 . 1 1 72 72 ALA CA C 13 55.961 0.300 . 1 . . . . 72 ALA CA . 11311 1 816 . 1 1 72 72 ALA CB C 13 18.099 0.300 . 1 . . . . 72 ALA CB . 11311 1 817 . 1 1 72 72 ALA N N 15 118.956 0.300 . 1 . . . . 72 ALA N . 11311 1 818 . 1 1 73 73 ASN H H 1 7.435 0.030 . 1 . . . . 73 ASN H . 11311 1 819 . 1 1 73 73 ASN HA H 1 4.427 0.030 . 1 . . . . 73 ASN HA . 11311 1 820 . 1 1 73 73 ASN HB2 H 1 2.918 0.030 . 2 . . . . 73 ASN HB2 . 11311 1 821 . 1 1 73 73 ASN HB3 H 1 3.015 0.030 . 2 . . . . 73 ASN HB3 . 11311 1 822 . 1 1 73 73 ASN HD21 H 1 7.066 0.030 . 2 . . . . 73 ASN HD21 . 11311 1 823 . 1 1 73 73 ASN HD22 H 1 7.823 0.030 . 2 . . . . 73 ASN HD22 . 11311 1 824 . 1 1 73 73 ASN C C 13 176.407 0.300 . 1 . . . . 73 ASN C . 11311 1 825 . 1 1 73 73 ASN CA C 13 57.158 0.300 . 1 . . . . 73 ASN CA . 11311 1 826 . 1 1 73 73 ASN CB C 13 39.142 0.300 . 1 . . . . 73 ASN CB . 11311 1 827 . 1 1 73 73 ASN N N 15 115.352 0.300 . 1 . . . . 73 ASN N . 11311 1 828 . 1 1 73 73 ASN ND2 N 15 114.603 0.300 . 1 . . . . 73 ASN ND2 . 11311 1 829 . 1 1 74 74 ILE H H 1 8.015 0.030 . 1 . . . . 74 ILE H . 11311 1 830 . 1 1 74 74 ILE HA H 1 3.938 0.030 . 1 . . . . 74 ILE HA . 11311 1 831 . 1 1 74 74 ILE HB H 1 2.146 0.030 . 1 . . . . 74 ILE HB . 11311 1 832 . 1 1 74 74 ILE HD11 H 1 0.950 0.030 . 1 . . . . 74 ILE HD1 . 11311 1 833 . 1 1 74 74 ILE HD12 H 1 0.950 0.030 . 1 . . . . 74 ILE HD1 . 11311 1 834 . 1 1 74 74 ILE HD13 H 1 0.950 0.030 . 1 . . . . 74 ILE HD1 . 11311 1 835 . 1 1 74 74 ILE HG12 H 1 1.551 0.030 . 2 . . . . 74 ILE HG12 . 11311 1 836 . 1 1 74 74 ILE HG13 H 1 1.733 0.030 . 2 . . . . 74 ILE HG13 . 11311 1 837 . 1 1 74 74 ILE HG21 H 1 1.136 0.030 . 1 . . . . 74 ILE HG2 . 11311 1 838 . 1 1 74 74 ILE HG22 H 1 1.136 0.030 . 1 . . . . 74 ILE HG2 . 11311 1 839 . 1 1 74 74 ILE HG23 H 1 1.136 0.030 . 1 . . . . 74 ILE HG2 . 11311 1 840 . 1 1 74 74 ILE C C 13 179.770 0.300 . 1 . . . . 74 ILE C . 11311 1 841 . 1 1 74 74 ILE CA C 13 63.752 0.300 . 1 . . . . 74 ILE CA . 11311 1 842 . 1 1 74 74 ILE CB C 13 37.435 0.300 . 1 . . . . 74 ILE CB . 11311 1 843 . 1 1 74 74 ILE CD1 C 13 12.772 0.300 . 1 . . . . 74 ILE CD1 . 11311 1 844 . 1 1 74 74 ILE CG1 C 13 29.481 0.300 . 1 . . . . 74 ILE CG1 . 11311 1 845 . 1 1 74 74 ILE CG2 C 13 17.801 0.300 . 1 . . . . 74 ILE CG2 . 11311 1 846 . 1 1 74 74 ILE N N 15 116.614 0.300 . 1 . . . . 74 ILE N . 11311 1 847 . 1 1 75 75 LEU H H 1 9.019 0.030 . 1 . . . . 75 LEU H . 11311 1 848 . 1 1 75 75 LEU HA H 1 4.082 0.030 . 1 . . . . 75 LEU HA . 11311 1 849 . 1 1 75 75 LEU HB2 H 1 1.093 0.030 . 2 . . . . 75 LEU HB2 . 11311 1 850 . 1 1 75 75 LEU HB3 H 1 1.839 0.030 . 2 . . . . 75 LEU HB3 . 11311 1 851 . 1 1 75 75 LEU HD11 H 1 0.665 0.030 . 1 . . . . 75 LEU HD1 . 11311 1 852 . 1 1 75 75 LEU HD12 H 1 0.665 0.030 . 1 . . . . 75 LEU HD1 . 11311 1 853 . 1 1 75 75 LEU HD13 H 1 0.665 0.030 . 1 . . . . 75 LEU HD1 . 11311 1 854 . 1 1 75 75 LEU HD21 H 1 0.596 0.030 . 1 . . . . 75 LEU HD2 . 11311 1 855 . 1 1 75 75 LEU HD22 H 1 0.596 0.030 . 1 . . . . 75 LEU HD2 . 11311 1 856 . 1 1 75 75 LEU HD23 H 1 0.596 0.030 . 1 . . . . 75 LEU HD2 . 11311 1 857 . 1 1 75 75 LEU HG H 1 1.884 0.030 . 1 . . . . 75 LEU HG . 11311 1 858 . 1 1 75 75 LEU C C 13 179.739 0.300 . 1 . . . . 75 LEU C . 11311 1 859 . 1 1 75 75 LEU CA C 13 58.517 0.300 . 1 . . . . 75 LEU CA . 11311 1 860 . 1 1 75 75 LEU CB C 13 41.804 0.300 . 1 . . . . 75 LEU CB . 11311 1 861 . 1 1 75 75 LEU CD1 C 13 26.973 0.300 . 2 . . . . 75 LEU CD1 . 11311 1 862 . 1 1 75 75 LEU CD2 C 13 21.187 0.300 . 2 . . . . 75 LEU CD2 . 11311 1 863 . 1 1 75 75 LEU CG C 13 26.512 0.300 . 1 . . . . 75 LEU CG . 11311 1 864 . 1 1 75 75 LEU N N 15 121.353 0.300 . 1 . . . . 75 LEU N . 11311 1 865 . 1 1 76 76 LYS H H 1 8.545 0.030 . 1 . . . . 76 LYS H . 11311 1 866 . 1 1 76 76 LYS HA H 1 3.926 0.030 . 1 . . . . 76 LYS HA . 11311 1 867 . 1 1 76 76 LYS HB2 H 1 2.010 0.030 . 2 . . . . 76 LYS HB2 . 11311 1 868 . 1 1 76 76 LYS HB3 H 1 1.692 0.030 . 2 . . . . 76 LYS HB3 . 11311 1 869 . 1 1 76 76 LYS HD2 H 1 1.638 0.030 . 2 . . . . 76 LYS HD2 . 11311 1 870 . 1 1 76 76 LYS HD3 H 1 1.674 0.030 . 2 . . . . 76 LYS HD3 . 11311 1 871 . 1 1 76 76 LYS HE2 H 1 2.836 0.030 . 1 . . . . 76 LYS HE2 . 11311 1 872 . 1 1 76 76 LYS HE3 H 1 2.836 0.030 . 1 . . . . 76 LYS HE3 . 11311 1 873 . 1 1 76 76 LYS HG2 H 1 2.003 0.030 . 2 . . . . 76 LYS HG2 . 11311 1 874 . 1 1 76 76 LYS HG3 H 1 1.182 0.030 . 2 . . . . 76 LYS HG3 . 11311 1 875 . 1 1 76 76 LYS C C 13 177.650 0.300 . 1 . . . . 76 LYS C . 11311 1 876 . 1 1 76 76 LYS CA C 13 60.752 0.300 . 1 . . . . 76 LYS CA . 11311 1 877 . 1 1 76 76 LYS CB C 13 32.407 0.300 . 1 . . . . 76 LYS CB . 11311 1 878 . 1 1 76 76 LYS CD C 13 29.769 0.300 . 1 . . . . 76 LYS CD . 11311 1 879 . 1 1 76 76 LYS CE C 13 42.190 0.300 . 1 . . . . 76 LYS CE . 11311 1 880 . 1 1 76 76 LYS CG C 13 28.450 0.300 . 1 . . . . 76 LYS CG . 11311 1 881 . 1 1 76 76 LYS N N 15 116.165 0.300 . 1 . . . . 76 LYS N . 11311 1 882 . 1 1 77 77 TYR H H 1 7.601 0.030 . 1 . . . . 77 TYR H . 11311 1 883 . 1 1 77 77 TYR HA H 1 4.621 0.030 . 1 . . . . 77 TYR HA . 11311 1 884 . 1 1 77 77 TYR HB2 H 1 2.915 0.030 . 2 . . . . 77 TYR HB2 . 11311 1 885 . 1 1 77 77 TYR HB3 H 1 3.243 0.030 . 2 . . . . 77 TYR HB3 . 11311 1 886 . 1 1 77 77 TYR HD1 H 1 6.757 0.030 . 1 . . . . 77 TYR HD1 . 11311 1 887 . 1 1 77 77 TYR HD2 H 1 6.757 0.030 . 1 . . . . 77 TYR HD2 . 11311 1 888 . 1 1 77 77 TYR HE1 H 1 6.202 0.030 . 1 . . . . 77 TYR HE1 . 11311 1 889 . 1 1 77 77 TYR HE2 H 1 6.202 0.030 . 1 . . . . 77 TYR HE2 . 11311 1 890 . 1 1 77 77 TYR C C 13 171.870 0.300 . 1 . . . . 77 TYR C . 11311 1 891 . 1 1 77 77 TYR CA C 13 58.764 0.300 . 1 . . . . 77 TYR CA . 11311 1 892 . 1 1 77 77 TYR CB C 13 38.581 0.300 . 1 . . . . 77 TYR CB . 11311 1 893 . 1 1 77 77 TYR CD1 C 13 132.834 0.300 . 1 . . . . 77 TYR CD1 . 11311 1 894 . 1 1 77 77 TYR CD2 C 13 132.834 0.300 . 1 . . . . 77 TYR CD2 . 11311 1 895 . 1 1 77 77 TYR CE1 C 13 117.411 0.300 . 1 . . . . 77 TYR CE1 . 11311 1 896 . 1 1 77 77 TYR CE2 C 13 117.411 0.300 . 1 . . . . 77 TYR CE2 . 11311 1 897 . 1 1 77 77 TYR N N 15 119.757 0.300 . 1 . . . . 77 TYR N . 11311 1 898 . 1 1 78 78 HIS H H 1 7.525 0.030 . 1 . . . . 78 HIS H . 11311 1 899 . 1 1 78 78 HIS HA H 1 4.133 0.030 . 1 . . . . 78 HIS HA . 11311 1 900 . 1 1 78 78 HIS HB2 H 1 4.624 0.030 . 2 . . . . 78 HIS HB2 . 11311 1 901 . 1 1 78 78 HIS HB3 H 1 3.209 0.030 . 2 . . . . 78 HIS HB3 . 11311 1 902 . 1 1 78 78 HIS HD2 H 1 7.185 0.030 . 1 . . . . 78 HIS HD2 . 11311 1 903 . 1 1 78 78 HIS HE1 H 1 7.882 0.030 . 1 . . . . 78 HIS HE1 . 11311 1 904 . 1 1 78 78 HIS C C 13 173.676 0.300 . 1 . . . . 78 HIS C . 11311 1 905 . 1 1 78 78 HIS CA C 13 58.763 0.300 . 1 . . . . 78 HIS CA . 11311 1 906 . 1 1 78 78 HIS CB C 13 27.930 0.300 . 1 . . . . 78 HIS CB . 11311 1 907 . 1 1 78 78 HIS CD2 C 13 128.867 0.300 . 1 . . . . 78 HIS CD2 . 11311 1 908 . 1 1 78 78 HIS CE1 C 13 139.853 0.300 . 1 . . . . 78 HIS CE1 . 11311 1 909 . 1 1 78 78 HIS N N 15 109.175 0.300 . 1 . . . . 78 HIS N . 11311 1 910 . 1 1 79 79 ILE H H 1 7.238 0.030 . 1 . . . . 79 ILE H . 11311 1 911 . 1 1 79 79 ILE HA H 1 5.171 0.030 . 1 . . . . 79 ILE HA . 11311 1 912 . 1 1 79 79 ILE HB H 1 1.797 0.030 . 1 . . . . 79 ILE HB . 11311 1 913 . 1 1 79 79 ILE HD11 H 1 0.684 0.030 . 1 . . . . 79 ILE HD1 . 11311 1 914 . 1 1 79 79 ILE HD12 H 1 0.684 0.030 . 1 . . . . 79 ILE HD1 . 11311 1 915 . 1 1 79 79 ILE HD13 H 1 0.684 0.030 . 1 . . . . 79 ILE HD1 . 11311 1 916 . 1 1 79 79 ILE HG12 H 1 2.034 0.030 . 1 . . . . 79 ILE HG12 . 11311 1 917 . 1 1 79 79 ILE HG13 H 1 2.034 0.030 . 1 . . . . 79 ILE HG13 . 11311 1 918 . 1 1 79 79 ILE HG21 H 1 0.873 0.030 . 1 . . . . 79 ILE HG2 . 11311 1 919 . 1 1 79 79 ILE HG22 H 1 0.873 0.030 . 1 . . . . 79 ILE HG2 . 11311 1 920 . 1 1 79 79 ILE HG23 H 1 0.873 0.030 . 1 . . . . 79 ILE HG2 . 11311 1 921 . 1 1 79 79 ILE C C 13 175.658 0.300 . 1 . . . . 79 ILE C . 11311 1 922 . 1 1 79 79 ILE CA C 13 59.511 0.300 . 1 . . . . 79 ILE CA . 11311 1 923 . 1 1 79 79 ILE CB C 13 40.567 0.300 . 1 . . . . 79 ILE CB . 11311 1 924 . 1 1 79 79 ILE CD1 C 13 14.745 0.300 . 1 . . . . 79 ILE CD1 . 11311 1 925 . 1 1 79 79 ILE CG1 C 13 26.503 0.300 . 1 . . . . 79 ILE CG1 . 11311 1 926 . 1 1 79 79 ILE CG2 C 13 18.804 0.300 . 1 . . . . 79 ILE CG2 . 11311 1 927 . 1 1 79 79 ILE N N 15 117.483 0.300 . 1 . . . . 79 ILE N . 11311 1 928 . 1 1 80 80 GLY H H 1 10.214 0.030 . 1 . . . . 80 GLY H . 11311 1 929 . 1 1 80 80 GLY HA2 H 1 3.395 0.030 . 2 . . . . 80 GLY HA2 . 11311 1 930 . 1 1 80 80 GLY HA3 H 1 5.034 0.030 . 2 . . . . 80 GLY HA3 . 11311 1 931 . 1 1 80 80 GLY C C 13 173.920 0.300 . 1 . . . . 80 GLY C . 11311 1 932 . 1 1 80 80 GLY CA C 13 43.926 0.300 . 1 . . . . 80 GLY CA . 11311 1 933 . 1 1 80 80 GLY N N 15 111.899 0.300 . 1 . . . . 80 GLY N . 11311 1 934 . 1 1 81 81 ASP H H 1 8.333 0.030 . 1 . . . . 81 ASP H . 11311 1 935 . 1 1 81 81 ASP HA H 1 4.728 0.030 . 1 . . . . 81 ASP HA . 11311 1 936 . 1 1 81 81 ASP HB2 H 1 3.013 0.030 . 2 . . . . 81 ASP HB2 . 11311 1 937 . 1 1 81 81 ASP HB3 H 1 2.351 0.030 . 2 . . . . 81 ASP HB3 . 11311 1 938 . 1 1 81 81 ASP C C 13 174.734 0.300 . 1 . . . . 81 ASP C . 11311 1 939 . 1 1 81 81 ASP CA C 13 53.706 0.300 . 1 . . . . 81 ASP CA . 11311 1 940 . 1 1 81 81 ASP CB C 13 40.805 0.300 . 1 . . . . 81 ASP CB . 11311 1 941 . 1 1 81 81 ASP N N 15 120.492 0.300 . 1 . . . . 81 ASP N . 11311 1 942 . 1 1 82 82 GLU H H 1 7.260 0.030 . 1 . . . . 82 GLU H . 11311 1 943 . 1 1 82 82 GLU HA H 1 4.476 0.030 . 1 . . . . 82 GLU HA . 11311 1 944 . 1 1 82 82 GLU HB2 H 1 1.802 0.030 . 2 . . . . 82 GLU HB2 . 11311 1 945 . 1 1 82 82 GLU HB3 H 1 1.960 0.030 . 2 . . . . 82 GLU HB3 . 11311 1 946 . 1 1 82 82 GLU HG2 H 1 1.944 0.030 . 2 . . . . 82 GLU HG2 . 11311 1 947 . 1 1 82 82 GLU HG3 H 1 2.181 0.030 . 2 . . . . 82 GLU HG3 . 11311 1 948 . 1 1 82 82 GLU C C 13 175.248 0.300 . 1 . . . . 82 GLU C . 11311 1 949 . 1 1 82 82 GLU CA C 13 54.497 0.300 . 1 . . . . 82 GLU CA . 11311 1 950 . 1 1 82 82 GLU CB C 13 33.241 0.300 . 1 . . . . 82 GLU CB . 11311 1 951 . 1 1 82 82 GLU CG C 13 35.899 0.300 . 1 . . . . 82 GLU CG . 11311 1 952 . 1 1 82 82 GLU N N 15 114.245 0.300 . 1 . . . . 82 GLU N . 11311 1 953 . 1 1 83 83 ILE H H 1 8.489 0.030 . 1 . . . . 83 ILE H . 11311 1 954 . 1 1 83 83 ILE HA H 1 3.552 0.030 . 1 . . . . 83 ILE HA . 11311 1 955 . 1 1 83 83 ILE HB H 1 1.607 0.030 . 1 . . . . 83 ILE HB . 11311 1 956 . 1 1 83 83 ILE HD11 H 1 0.755 0.030 . 1 . . . . 83 ILE HD1 . 11311 1 957 . 1 1 83 83 ILE HD12 H 1 0.755 0.030 . 1 . . . . 83 ILE HD1 . 11311 1 958 . 1 1 83 83 ILE HD13 H 1 0.755 0.030 . 1 . . . . 83 ILE HD1 . 11311 1 959 . 1 1 83 83 ILE HG12 H 1 1.393 0.030 . 2 . . . . 83 ILE HG12 . 11311 1 960 . 1 1 83 83 ILE HG13 H 1 0.853 0.030 . 2 . . . . 83 ILE HG13 . 11311 1 961 . 1 1 83 83 ILE HG21 H 1 0.699 0.030 . 1 . . . . 83 ILE HG2 . 11311 1 962 . 1 1 83 83 ILE HG22 H 1 0.699 0.030 . 1 . . . . 83 ILE HG2 . 11311 1 963 . 1 1 83 83 ILE HG23 H 1 0.699 0.030 . 1 . . . . 83 ILE HG2 . 11311 1 964 . 1 1 83 83 ILE C C 13 174.863 0.300 . 1 . . . . 83 ILE C . 11311 1 965 . 1 1 83 83 ILE CA C 13 62.337 0.300 . 1 . . . . 83 ILE CA . 11311 1 966 . 1 1 83 83 ILE CB C 13 38.427 0.300 . 1 . . . . 83 ILE CB . 11311 1 967 . 1 1 83 83 ILE CD1 C 13 13.601 0.300 . 1 . . . . 83 ILE CD1 . 11311 1 968 . 1 1 83 83 ILE CG1 C 13 28.703 0.300 . 1 . . . . 83 ILE CG1 . 11311 1 969 . 1 1 83 83 ILE CG2 C 13 16.919 0.300 . 1 . . . . 83 ILE CG2 . 11311 1 970 . 1 1 83 83 ILE N N 15 120.896 0.300 . 1 . . . . 83 ILE N . 11311 1 971 . 1 1 84 84 LEU H H 1 8.005 0.030 . 1 . . . . 84 LEU H . 11311 1 972 . 1 1 84 84 LEU HA H 1 4.757 0.030 . 1 . . . . 84 LEU HA . 11311 1 973 . 1 1 84 84 LEU HB2 H 1 1.239 0.030 . 2 . . . . 84 LEU HB2 . 11311 1 974 . 1 1 84 84 LEU HB3 H 1 1.807 0.030 . 2 . . . . 84 LEU HB3 . 11311 1 975 . 1 1 84 84 LEU HD11 H 1 0.840 0.030 . 1 . . . . 84 LEU HD1 . 11311 1 976 . 1 1 84 84 LEU HD12 H 1 0.840 0.030 . 1 . . . . 84 LEU HD1 . 11311 1 977 . 1 1 84 84 LEU HD13 H 1 0.840 0.030 . 1 . . . . 84 LEU HD1 . 11311 1 978 . 1 1 84 84 LEU HD21 H 1 0.889 0.030 . 1 . . . . 84 LEU HD2 . 11311 1 979 . 1 1 84 84 LEU HD22 H 1 0.889 0.030 . 1 . . . . 84 LEU HD2 . 11311 1 980 . 1 1 84 84 LEU HD23 H 1 0.889 0.030 . 1 . . . . 84 LEU HD2 . 11311 1 981 . 1 1 84 84 LEU HG H 1 1.341 0.030 . 1 . . . . 84 LEU HG . 11311 1 982 . 1 1 84 84 LEU C C 13 174.094 0.300 . 1 . . . . 84 LEU C . 11311 1 983 . 1 1 84 84 LEU CA C 13 53.883 0.300 . 1 . . . . 84 LEU CA . 11311 1 984 . 1 1 84 84 LEU CB C 13 44.029 0.300 . 1 . . . . 84 LEU CB . 11311 1 985 . 1 1 84 84 LEU CD1 C 13 26.503 0.300 . 2 . . . . 84 LEU CD1 . 11311 1 986 . 1 1 84 84 LEU CD2 C 13 24.268 0.300 . 2 . . . . 84 LEU CD2 . 11311 1 987 . 1 1 84 84 LEU CG C 13 27.060 0.300 . 1 . . . . 84 LEU CG . 11311 1 988 . 1 1 84 84 LEU N N 15 132.849 0.300 . 1 . . . . 84 LEU N . 11311 1 989 . 1 1 85 85 VAL H H 1 7.957 0.030 . 1 . . . . 85 VAL H . 11311 1 990 . 1 1 85 85 VAL HA H 1 4.751 0.030 . 1 . . . . 85 VAL HA . 11311 1 991 . 1 1 85 85 VAL HB H 1 2.349 0.030 . 1 . . . . 85 VAL HB . 11311 1 992 . 1 1 85 85 VAL HG11 H 1 0.848 0.030 . 1 . . . . 85 VAL HG1 . 11311 1 993 . 1 1 85 85 VAL HG12 H 1 0.848 0.030 . 1 . . . . 85 VAL HG1 . 11311 1 994 . 1 1 85 85 VAL HG13 H 1 0.848 0.030 . 1 . . . . 85 VAL HG1 . 11311 1 995 . 1 1 85 85 VAL HG21 H 1 0.789 0.030 . 1 . . . . 85 VAL HG2 . 11311 1 996 . 1 1 85 85 VAL HG22 H 1 0.789 0.030 . 1 . . . . 85 VAL HG2 . 11311 1 997 . 1 1 85 85 VAL HG23 H 1 0.789 0.030 . 1 . . . . 85 VAL HG2 . 11311 1 998 . 1 1 85 85 VAL C C 13 178.365 0.300 . 1 . . . . 85 VAL C . 11311 1 999 . 1 1 85 85 VAL CA C 13 59.401 0.300 . 1 . . . . 85 VAL CA . 11311 1 1000 . 1 1 85 85 VAL CB C 13 33.396 0.300 . 1 . . . . 85 VAL CB . 11311 1 1001 . 1 1 85 85 VAL CG1 C 13 22.304 0.300 . 2 . . . . 85 VAL CG1 . 11311 1 1002 . 1 1 85 85 VAL CG2 C 13 18.393 0.300 . 2 . . . . 85 VAL CG2 . 11311 1 1003 . 1 1 85 85 VAL N N 15 118.374 0.300 . 1 . . . . 85 VAL N . 11311 1 1004 . 1 1 86 86 SER H H 1 11.056 0.030 . 1 . . . . 86 SER H . 11311 1 1005 . 1 1 86 86 SER HA H 1 3.815 0.030 . 1 . . . . 86 SER HA . 11311 1 1006 . 1 1 86 86 SER HB2 H 1 3.838 0.030 . 2 . . . . 86 SER HB2 . 11311 1 1007 . 1 1 86 86 SER HB3 H 1 3.657 0.030 . 2 . . . . 86 SER HB3 . 11311 1 1008 . 1 1 86 86 SER C C 13 177.119 0.300 . 1 . . . . 86 SER C . 11311 1 1009 . 1 1 86 86 SER CA C 13 62.663 0.300 . 1 . . . . 86 SER CA . 11311 1 1010 . 1 1 86 86 SER CB C 13 62.004 0.300 . 1 . . . . 86 SER CB . 11311 1 1011 . 1 1 86 86 SER N N 15 121.702 0.300 . 1 . . . . 86 SER N . 11311 1 1012 . 1 1 87 87 GLY H H 1 8.279 0.030 . 1 . . . . 87 GLY H . 11311 1 1013 . 1 1 87 87 GLY HA2 H 1 3.765 0.030 . 2 . . . . 87 GLY HA2 . 11311 1 1014 . 1 1 87 87 GLY HA3 H 1 4.010 0.030 . 2 . . . . 87 GLY HA3 . 11311 1 1015 . 1 1 87 87 GLY C C 13 174.706 0.300 . 1 . . . . 87 GLY C . 11311 1 1016 . 1 1 87 87 GLY CA C 13 46.030 0.300 . 1 . . . . 87 GLY CA . 11311 1 1017 . 1 1 87 87 GLY N N 15 107.439 0.300 . 1 . . . . 87 GLY N . 11311 1 1018 . 1 1 88 88 GLY H H 1 8.239 0.030 . 1 . . . . 88 GLY H . 11311 1 1019 . 1 1 88 88 GLY HA2 H 1 4.404 0.030 . 2 . . . . 88 GLY HA2 . 11311 1 1020 . 1 1 88 88 GLY HA3 H 1 3.682 0.030 . 2 . . . . 88 GLY HA3 . 11311 1 1021 . 1 1 88 88 GLY C C 13 174.360 0.300 . 1 . . . . 88 GLY C . 11311 1 1022 . 1 1 88 88 GLY CA C 13 44.438 0.300 . 1 . . . . 88 GLY CA . 11311 1 1023 . 1 1 88 88 GLY N N 15 107.836 0.300 . 1 . . . . 88 GLY N . 11311 1 1024 . 1 1 89 89 ILE H H 1 7.295 0.030 . 1 . . . . 89 ILE H . 11311 1 1025 . 1 1 89 89 ILE HA H 1 3.795 0.030 . 1 . . . . 89 ILE HA . 11311 1 1026 . 1 1 89 89 ILE HB H 1 1.715 0.030 . 1 . . . . 89 ILE HB . 11311 1 1027 . 1 1 89 89 ILE HD11 H 1 0.650 0.030 . 1 . . . . 89 ILE HD1 . 11311 1 1028 . 1 1 89 89 ILE HD12 H 1 0.650 0.030 . 1 . . . . 89 ILE HD1 . 11311 1 1029 . 1 1 89 89 ILE HD13 H 1 0.650 0.030 . 1 . . . . 89 ILE HD1 . 11311 1 1030 . 1 1 89 89 ILE HG12 H 1 0.636 0.030 . 2 . . . . 89 ILE HG12 . 11311 1 1031 . 1 1 89 89 ILE HG13 H 1 1.852 0.030 . 2 . . . . 89 ILE HG13 . 11311 1 1032 . 1 1 89 89 ILE HG21 H 1 0.768 0.030 . 1 . . . . 89 ILE HG2 . 11311 1 1033 . 1 1 89 89 ILE HG22 H 1 0.768 0.030 . 1 . . . . 89 ILE HG2 . 11311 1 1034 . 1 1 89 89 ILE HG23 H 1 0.768 0.030 . 1 . . . . 89 ILE HG2 . 11311 1 1035 . 1 1 89 89 ILE C C 13 175.614 0.300 . 1 . . . . 89 ILE C . 11311 1 1036 . 1 1 89 89 ILE CA C 13 62.938 0.300 . 1 . . . . 89 ILE CA . 11311 1 1037 . 1 1 89 89 ILE CB C 13 39.130 0.300 . 1 . . . . 89 ILE CB . 11311 1 1038 . 1 1 89 89 ILE CD1 C 13 15.832 0.300 . 1 . . . . 89 ILE CD1 . 11311 1 1039 . 1 1 89 89 ILE CG1 C 13 28.022 0.300 . 1 . . . . 89 ILE CG1 . 11311 1 1040 . 1 1 89 89 ILE CG2 C 13 18.107 0.300 . 1 . . . . 89 ILE CG2 . 11311 1 1041 . 1 1 89 89 ILE N N 15 121.041 0.300 . 1 . . . . 89 ILE N . 11311 1 1042 . 1 1 90 90 GLY H H 1 7.953 0.030 . 1 . . . . 90 GLY H . 11311 1 1043 . 1 1 90 90 GLY HA2 H 1 3.979 0.030 . 2 . . . . 90 GLY HA2 . 11311 1 1044 . 1 1 90 90 GLY HA3 H 1 3.776 0.030 . 2 . . . . 90 GLY HA3 . 11311 1 1045 . 1 1 90 90 GLY C C 13 173.067 0.300 . 1 . . . . 90 GLY C . 11311 1 1046 . 1 1 90 90 GLY CA C 13 45.570 0.300 . 1 . . . . 90 GLY CA . 11311 1 1047 . 1 1 90 90 GLY N N 15 112.102 0.300 . 1 . . . . 90 GLY N . 11311 1 1048 . 1 1 91 91 ALA H H 1 8.305 0.030 . 1 . . . . 91 ALA H . 11311 1 1049 . 1 1 91 91 ALA HA H 1 4.285 0.030 . 1 . . . . 91 ALA HA . 11311 1 1050 . 1 1 91 91 ALA HB1 H 1 1.424 0.030 . 1 . . . . 91 ALA HB . 11311 1 1051 . 1 1 91 91 ALA HB2 H 1 1.424 0.030 . 1 . . . . 91 ALA HB . 11311 1 1052 . 1 1 91 91 ALA HB3 H 1 1.424 0.030 . 1 . . . . 91 ALA HB . 11311 1 1053 . 1 1 91 91 ALA C C 13 177.363 0.300 . 1 . . . . 91 ALA C . 11311 1 1054 . 1 1 91 91 ALA CA C 13 54.124 0.300 . 1 . . . . 91 ALA CA . 11311 1 1055 . 1 1 91 91 ALA CB C 13 19.630 0.300 . 1 . . . . 91 ALA CB . 11311 1 1056 . 1 1 91 91 ALA N N 15 125.146 0.300 . 1 . . . . 91 ALA N . 11311 1 1057 . 1 1 92 92 LEU H H 1 7.812 0.030 . 1 . . . . 92 LEU H . 11311 1 1058 . 1 1 92 92 LEU HA H 1 4.691 0.030 . 1 . . . . 92 LEU HA . 11311 1 1059 . 1 1 92 92 LEU HB2 H 1 1.568 0.030 . 1 . . . . 92 LEU HB2 . 11311 1 1060 . 1 1 92 92 LEU HB3 H 1 1.568 0.030 . 1 . . . . 92 LEU HB3 . 11311 1 1061 . 1 1 92 92 LEU HD11 H 1 0.772 0.030 . 1 . . . . 92 LEU HD1 . 11311 1 1062 . 1 1 92 92 LEU HD12 H 1 0.772 0.030 . 1 . . . . 92 LEU HD1 . 11311 1 1063 . 1 1 92 92 LEU HD13 H 1 0.772 0.030 . 1 . . . . 92 LEU HD1 . 11311 1 1064 . 1 1 92 92 LEU HD21 H 1 0.754 0.030 . 1 . . . . 92 LEU HD2 . 11311 1 1065 . 1 1 92 92 LEU HD22 H 1 0.754 0.030 . 1 . . . . 92 LEU HD2 . 11311 1 1066 . 1 1 92 92 LEU HD23 H 1 0.754 0.030 . 1 . . . . 92 LEU HD2 . 11311 1 1067 . 1 1 92 92 LEU HG H 1 1.323 0.030 . 1 . . . . 92 LEU HG . 11311 1 1068 . 1 1 92 92 LEU C C 13 175.501 0.300 . 1 . . . . 92 LEU C . 11311 1 1069 . 1 1 92 92 LEU CA C 13 56.147 0.300 . 1 . . . . 92 LEU CA . 11311 1 1070 . 1 1 92 92 LEU CB C 13 43.617 0.300 . 1 . . . . 92 LEU CB . 11311 1 1071 . 1 1 92 92 LEU CD1 C 13 24.268 0.300 . 2 . . . . 92 LEU CD1 . 11311 1 1072 . 1 1 92 92 LEU CD2 C 13 25.214 0.300 . 2 . . . . 92 LEU CD2 . 11311 1 1073 . 1 1 92 92 LEU CG C 13 27.601 0.300 . 1 . . . . 92 LEU CG . 11311 1 1074 . 1 1 92 92 LEU N N 15 118.547 0.300 . 1 . . . . 92 LEU N . 11311 1 1075 . 1 1 93 93 VAL H H 1 9.512 0.030 . 1 . . . . 93 VAL H . 11311 1 1076 . 1 1 93 93 VAL HA H 1 4.284 0.030 . 1 . . . . 93 VAL HA . 11311 1 1077 . 1 1 93 93 VAL HB H 1 1.929 0.030 . 1 . . . . 93 VAL HB . 11311 1 1078 . 1 1 93 93 VAL HG11 H 1 0.920 0.030 . 1 . . . . 93 VAL HG1 . 11311 1 1079 . 1 1 93 93 VAL HG12 H 1 0.920 0.030 . 1 . . . . 93 VAL HG1 . 11311 1 1080 . 1 1 93 93 VAL HG13 H 1 0.920 0.030 . 1 . . . . 93 VAL HG1 . 11311 1 1081 . 1 1 93 93 VAL HG21 H 1 1.062 0.030 . 1 . . . . 93 VAL HG2 . 11311 1 1082 . 1 1 93 93 VAL HG22 H 1 1.062 0.030 . 1 . . . . 93 VAL HG2 . 11311 1 1083 . 1 1 93 93 VAL HG23 H 1 1.062 0.030 . 1 . . . . 93 VAL HG2 . 11311 1 1084 . 1 1 93 93 VAL C C 13 174.113 0.300 . 1 . . . . 93 VAL C . 11311 1 1085 . 1 1 93 93 VAL CA C 13 61.296 0.300 . 1 . . . . 93 VAL CA . 11311 1 1086 . 1 1 93 93 VAL CB C 13 35.750 0.300 . 1 . . . . 93 VAL CB . 11311 1 1087 . 1 1 93 93 VAL CG1 C 13 21.609 0.300 . 2 . . . . 93 VAL CG1 . 11311 1 1088 . 1 1 93 93 VAL CG2 C 13 22.126 0.300 . 2 . . . . 93 VAL CG2 . 11311 1 1089 . 1 1 93 93 VAL N N 15 128.145 0.300 . 1 . . . . 93 VAL N . 11311 1 1090 . 1 1 94 94 ARG H H 1 8.641 0.030 . 1 . . . . 94 ARG H . 11311 1 1091 . 1 1 94 94 ARG HA H 1 5.236 0.030 . 1 . . . . 94 ARG HA . 11311 1 1092 . 1 1 94 94 ARG HB2 H 1 1.807 0.030 . 2 . . . . 94 ARG HB2 . 11311 1 1093 . 1 1 94 94 ARG HB3 H 1 1.416 0.030 . 2 . . . . 94 ARG HB3 . 11311 1 1094 . 1 1 94 94 ARG HD2 H 1 3.197 0.030 . 2 . . . . 94 ARG HD2 . 11311 1 1095 . 1 1 94 94 ARG HD3 H 1 3.131 0.030 . 2 . . . . 94 ARG HD3 . 11311 1 1096 . 1 1 94 94 ARG HG2 H 1 1.426 0.030 . 2 . . . . 94 ARG HG2 . 11311 1 1097 . 1 1 94 94 ARG HG3 H 1 1.638 0.030 . 2 . . . . 94 ARG HG3 . 11311 1 1098 . 1 1 94 94 ARG C C 13 174.963 0.300 . 1 . . . . 94 ARG C . 11311 1 1099 . 1 1 94 94 ARG CA C 13 54.803 0.300 . 1 . . . . 94 ARG CA . 11311 1 1100 . 1 1 94 94 ARG CB C 13 30.181 0.300 . 1 . . . . 94 ARG CB . 11311 1 1101 . 1 1 94 94 ARG CD C 13 43.346 0.300 . 1 . . . . 94 ARG CD . 11311 1 1102 . 1 1 94 94 ARG CG C 13 28.539 0.300 . 1 . . . . 94 ARG CG . 11311 1 1103 . 1 1 94 94 ARG N N 15 125.397 0.300 . 1 . . . . 94 ARG N . 11311 1 1104 . 1 1 95 95 LEU H H 1 8.825 0.030 . 1 . . . . 95 LEU H . 11311 1 1105 . 1 1 95 95 LEU HA H 1 4.553 0.030 . 1 . . . . 95 LEU HA . 11311 1 1106 . 1 1 95 95 LEU HB2 H 1 1.308 0.030 . 2 . . . . 95 LEU HB2 . 11311 1 1107 . 1 1 95 95 LEU HB3 H 1 1.771 0.030 . 2 . . . . 95 LEU HB3 . 11311 1 1108 . 1 1 95 95 LEU HD11 H 1 1.008 0.030 . 1 . . . . 95 LEU HD1 . 11311 1 1109 . 1 1 95 95 LEU HD12 H 1 1.008 0.030 . 1 . . . . 95 LEU HD1 . 11311 1 1110 . 1 1 95 95 LEU HD13 H 1 1.008 0.030 . 1 . . . . 95 LEU HD1 . 11311 1 1111 . 1 1 95 95 LEU HD21 H 1 1.065 0.030 . 1 . . . . 95 LEU HD2 . 11311 1 1112 . 1 1 95 95 LEU HD22 H 1 1.065 0.030 . 1 . . . . 95 LEU HD2 . 11311 1 1113 . 1 1 95 95 LEU HD23 H 1 1.065 0.030 . 1 . . . . 95 LEU HD2 . 11311 1 1114 . 1 1 95 95 LEU HG H 1 1.576 0.030 . 1 . . . . 95 LEU HG . 11311 1 1115 . 1 1 95 95 LEU C C 13 174.992 0.300 . 1 . . . . 95 LEU C . 11311 1 1116 . 1 1 95 95 LEU CA C 13 53.157 0.300 . 1 . . . . 95 LEU CA . 11311 1 1117 . 1 1 95 95 LEU CB C 13 45.860 0.300 . 1 . . . . 95 LEU CB . 11311 1 1118 . 1 1 95 95 LEU CD1 C 13 26.239 0.300 . 2 . . . . 95 LEU CD1 . 11311 1 1119 . 1 1 95 95 LEU CD2 C 13 24.542 0.300 . 2 . . . . 95 LEU CD2 . 11311 1 1120 . 1 1 95 95 LEU CG C 13 26.608 0.300 . 1 . . . . 95 LEU CG . 11311 1 1121 . 1 1 95 95 LEU N N 15 127.966 0.300 . 1 . . . . 95 LEU N . 11311 1 1122 . 1 1 96 96 LYS H H 1 9.452 0.030 . 1 . . . . 96 LYS H . 11311 1 1123 . 1 1 96 96 LYS HA H 1 4.020 0.030 . 1 . . . . 96 LYS HA . 11311 1 1124 . 1 1 96 96 LYS HB2 H 1 1.684 0.030 . 2 . . . . 96 LYS HB2 . 11311 1 1125 . 1 1 96 96 LYS HB3 H 1 2.110 0.030 . 2 . . . . 96 LYS HB3 . 11311 1 1126 . 1 1 96 96 LYS HD2 H 1 1.782 0.030 . 1 . . . . 96 LYS HD2 . 11311 1 1127 . 1 1 96 96 LYS HD3 H 1 1.782 0.030 . 1 . . . . 96 LYS HD3 . 11311 1 1128 . 1 1 96 96 LYS HE2 H 1 3.129 0.030 . 1 . . . . 96 LYS HE2 . 11311 1 1129 . 1 1 96 96 LYS HE3 H 1 3.129 0.030 . 1 . . . . 96 LYS HE3 . 11311 1 1130 . 1 1 96 96 LYS HG2 H 1 1.393 0.030 . 2 . . . . 96 LYS HG2 . 11311 1 1131 . 1 1 96 96 LYS HG3 H 1 1.679 0.030 . 2 . . . . 96 LYS HG3 . 11311 1 1132 . 1 1 96 96 LYS C C 13 174.465 0.300 . 1 . . . . 96 LYS C . 11311 1 1133 . 1 1 96 96 LYS CA C 13 58.375 0.300 . 1 . . . . 96 LYS CA . 11311 1 1134 . 1 1 96 96 LYS CB C 13 32.489 0.300 . 1 . . . . 96 LYS CB . 11311 1 1135 . 1 1 96 96 LYS CD C 13 29.540 0.300 . 1 . . . . 96 LYS CD . 11311 1 1136 . 1 1 96 96 LYS CE C 13 41.949 0.300 . 1 . . . . 96 LYS CE . 11311 1 1137 . 1 1 96 96 LYS CG C 13 25.130 0.300 . 1 . . . . 96 LYS CG . 11311 1 1138 . 1 1 96 96 LYS N N 15 129.399 0.300 . 1 . . . . 96 LYS N . 11311 1 1139 . 1 1 97 97 SER H H 1 7.851 0.030 . 1 . . . . 97 SER H . 11311 1 1140 . 1 1 97 97 SER HA H 1 5.616 0.030 . 1 . . . . 97 SER HA . 11311 1 1141 . 1 1 97 97 SER HB2 H 1 3.804 0.030 . 1 . . . . 97 SER HB2 . 11311 1 1142 . 1 1 97 97 SER HB3 H 1 3.804 0.030 . 1 . . . . 97 SER HB3 . 11311 1 1143 . 1 1 97 97 SER C C 13 177.955 0.300 . 1 . . . . 97 SER C . 11311 1 1144 . 1 1 97 97 SER CA C 13 58.163 0.300 . 1 . . . . 97 SER CA . 11311 1 1145 . 1 1 97 97 SER CB C 13 67.482 0.300 . 1 . . . . 97 SER CB . 11311 1 1146 . 1 1 97 97 SER N N 15 121.382 0.300 . 1 . . . . 97 SER N . 11311 1 1147 . 1 1 98 98 LEU H H 1 9.326 0.030 . 1 . . . . 98 LEU H . 11311 1 1148 . 1 1 98 98 LEU HA H 1 4.280 0.030 . 1 . . . . 98 LEU HA . 11311 1 1149 . 1 1 98 98 LEU HB2 H 1 2.062 0.030 . 2 . . . . 98 LEU HB2 . 11311 1 1150 . 1 1 98 98 LEU HB3 H 1 1.628 0.030 . 2 . . . . 98 LEU HB3 . 11311 1 1151 . 1 1 98 98 LEU HD11 H 1 0.921 0.030 . 1 . . . . 98 LEU HD1 . 11311 1 1152 . 1 1 98 98 LEU HD12 H 1 0.921 0.030 . 1 . . . . 98 LEU HD1 . 11311 1 1153 . 1 1 98 98 LEU HD13 H 1 0.921 0.030 . 1 . . . . 98 LEU HD1 . 11311 1 1154 . 1 1 98 98 LEU HD21 H 1 0.994 0.030 . 1 . . . . 98 LEU HD2 . 11311 1 1155 . 1 1 98 98 LEU HD22 H 1 0.994 0.030 . 1 . . . . 98 LEU HD2 . 11311 1 1156 . 1 1 98 98 LEU HD23 H 1 0.994 0.030 . 1 . . . . 98 LEU HD2 . 11311 1 1157 . 1 1 98 98 LEU HG H 1 1.933 0.030 . 1 . . . . 98 LEU HG . 11311 1 1158 . 1 1 98 98 LEU C C 13 178.444 0.300 . 1 . . . . 98 LEU C . 11311 1 1159 . 1 1 98 98 LEU CA C 13 57.314 0.300 . 1 . . . . 98 LEU CA . 11311 1 1160 . 1 1 98 98 LEU CB C 13 41.360 0.300 . 1 . . . . 98 LEU CB . 11311 1 1161 . 1 1 98 98 LEU CD1 C 13 24.609 0.300 . 2 . . . . 98 LEU CD1 . 11311 1 1162 . 1 1 98 98 LEU CD2 C 13 22.126 0.300 . 2 . . . . 98 LEU CD2 . 11311 1 1163 . 1 1 98 98 LEU CG C 13 27.672 0.300 . 1 . . . . 98 LEU CG . 11311 1 1164 . 1 1 98 98 LEU N N 15 121.318 0.300 . 1 . . . . 98 LEU N . 11311 1 1165 . 1 1 99 99 GLN H H 1 7.443 0.030 . 1 . . . . 99 GLN H . 11311 1 1166 . 1 1 99 99 GLN HA H 1 4.128 0.030 . 1 . . . . 99 GLN HA . 11311 1 1167 . 1 1 99 99 GLN HB2 H 1 2.521 0.030 . 2 . . . . 99 GLN HB2 . 11311 1 1168 . 1 1 99 99 GLN HB3 H 1 2.058 0.030 . 2 . . . . 99 GLN HB3 . 11311 1 1169 . 1 1 99 99 GLN HE21 H 1 6.385 0.030 . 2 . . . . 99 GLN HE21 . 11311 1 1170 . 1 1 99 99 GLN HE22 H 1 7.106 0.030 . 2 . . . . 99 GLN HE22 . 11311 1 1171 . 1 1 99 99 GLN HG2 H 1 2.609 0.030 . 2 . . . . 99 GLN HG2 . 11311 1 1172 . 1 1 99 99 GLN HG3 H 1 2.652 0.030 . 2 . . . . 99 GLN HG3 . 11311 1 1173 . 1 1 99 99 GLN C C 13 176.081 0.300 . 1 . . . . 99 GLN C . 11311 1 1174 . 1 1 99 99 GLN CA C 13 56.803 0.300 . 1 . . . . 99 GLN CA . 11311 1 1175 . 1 1 99 99 GLN CB C 13 27.063 0.300 . 1 . . . . 99 GLN CB . 11311 1 1176 . 1 1 99 99 GLN CG C 13 31.945 0.300 . 1 . . . . 99 GLN CG . 11311 1 1177 . 1 1 99 99 GLN N N 15 119.363 0.300 . 1 . . . . 99 GLN N . 11311 1 1178 . 1 1 99 99 GLN NE2 N 15 105.893 0.300 . 1 . . . . 99 GLN NE2 . 11311 1 1179 . 1 1 100 100 GLY H H 1 7.598 0.030 . 1 . . . . 100 GLY H . 11311 1 1180 . 1 1 100 100 GLY HA2 H 1 3.390 0.030 . 2 . . . . 100 GLY HA2 . 11311 1 1181 . 1 1 100 100 GLY HA3 H 1 4.618 0.030 . 2 . . . . 100 GLY HA3 . 11311 1 1182 . 1 1 100 100 GLY C C 13 174.392 0.300 . 1 . . . . 100 GLY C . 11311 1 1183 . 1 1 100 100 GLY CA C 13 45.303 0.300 . 1 . . . . 100 GLY CA . 11311 1 1184 . 1 1 100 100 GLY N N 15 109.303 0.300 . 1 . . . . 100 GLY N . 11311 1 1185 . 1 1 101 101 ASP H H 1 8.804 0.030 . 1 . . . . 101 ASP H . 11311 1 1186 . 1 1 101 101 ASP HA H 1 4.866 0.030 . 1 . . . . 101 ASP HA . 11311 1 1187 . 1 1 101 101 ASP HB2 H 1 2.877 0.030 . 2 . . . . 101 ASP HB2 . 11311 1 1188 . 1 1 101 101 ASP HB3 H 1 3.075 0.030 . 2 . . . . 101 ASP HB3 . 11311 1 1189 . 1 1 101 101 ASP C C 13 177.488 0.300 . 1 . . . . 101 ASP C . 11311 1 1190 . 1 1 101 101 ASP CA C 13 54.449 0.300 . 1 . . . . 101 ASP CA . 11311 1 1191 . 1 1 101 101 ASP CB C 13 41.309 0.300 . 1 . . . . 101 ASP CB . 11311 1 1192 . 1 1 101 101 ASP N N 15 121.280 0.300 . 1 . . . . 101 ASP N . 11311 1 1193 . 1 1 102 102 LYS H H 1 9.058 0.030 . 1 . . . . 102 LYS H . 11311 1 1194 . 1 1 102 102 LYS HA H 1 5.061 0.030 . 1 . . . . 102 LYS HA . 11311 1 1195 . 1 1 102 102 LYS HB2 H 1 1.843 0.030 . 2 . . . . 102 LYS HB2 . 11311 1 1196 . 1 1 102 102 LYS HB3 H 1 1.508 0.030 . 2 . . . . 102 LYS HB3 . 11311 1 1197 . 1 1 102 102 LYS HD2 H 1 1.589 0.030 . 1 . . . . 102 LYS HD2 . 11311 1 1198 . 1 1 102 102 LYS HD3 H 1 1.589 0.030 . 1 . . . . 102 LYS HD3 . 11311 1 1199 . 1 1 102 102 LYS HE2 H 1 2.999 0.030 . 1 . . . . 102 LYS HE2 . 11311 1 1200 . 1 1 102 102 LYS HE3 H 1 2.999 0.030 . 1 . . . . 102 LYS HE3 . 11311 1 1201 . 1 1 102 102 LYS HG2 H 1 1.597 0.030 . 2 . . . . 102 LYS HG2 . 11311 1 1202 . 1 1 102 102 LYS HG3 H 1 1.284 0.030 . 2 . . . . 102 LYS HG3 . 11311 1 1203 . 1 1 102 102 LYS C C 13 176.788 0.300 . 1 . . . . 102 LYS C . 11311 1 1204 . 1 1 102 102 LYS CA C 13 55.970 0.300 . 1 . . . . 102 LYS CA . 11311 1 1205 . 1 1 102 102 LYS CB C 13 33.890 0.300 . 1 . . . . 102 LYS CB . 11311 1 1206 . 1 1 102 102 LYS CD C 13 29.436 0.300 . 1 . . . . 102 LYS CD . 11311 1 1207 . 1 1 102 102 LYS CE C 13 42.411 0.300 . 1 . . . . 102 LYS CE . 11311 1 1208 . 1 1 102 102 LYS CG C 13 26.014 0.300 . 1 . . . . 102 LYS CG . 11311 1 1209 . 1 1 102 102 LYS N N 15 119.838 0.300 . 1 . . . . 102 LYS N . 11311 1 1210 . 1 1 103 103 LEU H H 1 9.402 0.030 . 1 . . . . 103 LEU H . 11311 1 1211 . 1 1 103 103 LEU HA H 1 4.352 0.030 . 1 . . . . 103 LEU HA . 11311 1 1212 . 1 1 103 103 LEU HB2 H 1 1.527 0.030 . 2 . . . . 103 LEU HB2 . 11311 1 1213 . 1 1 103 103 LEU HB3 H 1 0.787 0.030 . 2 . . . . 103 LEU HB3 . 11311 1 1214 . 1 1 103 103 LEU HD11 H 1 0.603 0.030 . 1 . . . . 103 LEU HD1 . 11311 1 1215 . 1 1 103 103 LEU HD12 H 1 0.603 0.030 . 1 . . . . 103 LEU HD1 . 11311 1 1216 . 1 1 103 103 LEU HD13 H 1 0.603 0.030 . 1 . . . . 103 LEU HD1 . 11311 1 1217 . 1 1 103 103 LEU HD21 H 1 0.013 0.030 . 1 . . . . 103 LEU HD2 . 11311 1 1218 . 1 1 103 103 LEU HD22 H 1 0.013 0.030 . 1 . . . . 103 LEU HD2 . 11311 1 1219 . 1 1 103 103 LEU HD23 H 1 0.013 0.030 . 1 . . . . 103 LEU HD2 . 11311 1 1220 . 1 1 103 103 LEU HG H 1 1.123 0.030 . 1 . . . . 103 LEU HG . 11311 1 1221 . 1 1 103 103 LEU C C 13 175.958 0.300 . 1 . . . . 103 LEU C . 11311 1 1222 . 1 1 103 103 LEU CA C 13 54.013 0.300 . 1 . . . . 103 LEU CA . 11311 1 1223 . 1 1 103 103 LEU CB C 13 45.019 0.300 . 1 . . . . 103 LEU CB . 11311 1 1224 . 1 1 103 103 LEU CD1 C 13 24.390 0.300 . 2 . . . . 103 LEU CD1 . 11311 1 1225 . 1 1 103 103 LEU CD2 C 13 22.603 0.300 . 2 . . . . 103 LEU CD2 . 11311 1 1226 . 1 1 103 103 LEU CG C 13 27.079 0.300 . 1 . . . . 103 LEU CG . 11311 1 1227 . 1 1 103 103 LEU N N 15 126.320 0.300 . 1 . . . . 103 LEU N . 11311 1 1228 . 1 1 104 104 GLU H H 1 8.301 0.030 . 1 . . . . 104 GLU H . 11311 1 1229 . 1 1 104 104 GLU HA H 1 4.637 0.030 . 1 . . . . 104 GLU HA . 11311 1 1230 . 1 1 104 104 GLU HB2 H 1 1.925 0.030 . 2 . . . . 104 GLU HB2 . 11311 1 1231 . 1 1 104 104 GLU HB3 H 1 2.010 0.030 . 2 . . . . 104 GLU HB3 . 11311 1 1232 . 1 1 104 104 GLU HG2 H 1 2.246 0.030 . 2 . . . . 104 GLU HG2 . 11311 1 1233 . 1 1 104 104 GLU HG3 H 1 1.887 0.030 . 2 . . . . 104 GLU HG3 . 11311 1 1234 . 1 1 104 104 GLU C C 13 175.012 0.300 . 1 . . . . 104 GLU C . 11311 1 1235 . 1 1 104 104 GLU CA C 13 55.687 0.300 . 1 . . . . 104 GLU CA . 11311 1 1236 . 1 1 104 104 GLU CB C 13 30.263 0.300 . 1 . . . . 104 GLU CB . 11311 1 1237 . 1 1 104 104 GLU CG C 13 37.257 0.300 . 1 . . . . 104 GLU CG . 11311 1 1238 . 1 1 104 104 GLU N N 15 121.231 0.300 . 1 . . . . 104 GLU N . 11311 1 1239 . 1 1 105 105 VAL H H 1 9.337 0.030 . 1 . . . . 105 VAL H . 11311 1 1240 . 1 1 105 105 VAL HA H 1 5.020 0.030 . 1 . . . . 105 VAL HA . 11311 1 1241 . 1 1 105 105 VAL HB H 1 1.950 0.030 . 1 . . . . 105 VAL HB . 11311 1 1242 . 1 1 105 105 VAL HG11 H 1 0.854 0.030 . 1 . . . . 105 VAL HG1 . 11311 1 1243 . 1 1 105 105 VAL HG12 H 1 0.854 0.030 . 1 . . . . 105 VAL HG1 . 11311 1 1244 . 1 1 105 105 VAL HG13 H 1 0.854 0.030 . 1 . . . . 105 VAL HG1 . 11311 1 1245 . 1 1 105 105 VAL HG21 H 1 0.721 0.030 . 1 . . . . 105 VAL HG2 . 11311 1 1246 . 1 1 105 105 VAL HG22 H 1 0.721 0.030 . 1 . . . . 105 VAL HG2 . 11311 1 1247 . 1 1 105 105 VAL HG23 H 1 0.721 0.030 . 1 . . . . 105 VAL HG2 . 11311 1 1248 . 1 1 105 105 VAL C C 13 173.680 0.300 . 1 . . . . 105 VAL C . 11311 1 1249 . 1 1 105 105 VAL CA C 13 61.099 0.300 . 1 . . . . 105 VAL CA . 11311 1 1250 . 1 1 105 105 VAL CB C 13 32.736 0.300 . 1 . . . . 105 VAL CB . 11311 1 1251 . 1 1 105 105 VAL CG1 C 13 22.299 0.300 . 2 . . . . 105 VAL CG1 . 11311 1 1252 . 1 1 105 105 VAL CG2 C 13 21.506 0.300 . 2 . . . . 105 VAL CG2 . 11311 1 1253 . 1 1 105 105 VAL N N 15 130.845 0.300 . 1 . . . . 105 VAL N . 11311 1 1254 . 1 1 106 106 SER H H 1 9.018 0.030 . 1 . . . . 106 SER H . 11311 1 1255 . 1 1 106 106 SER HA H 1 4.925 0.030 . 1 . . . . 106 SER HA . 11311 1 1256 . 1 1 106 106 SER HB2 H 1 3.580 0.030 . 2 . . . . 106 SER HB2 . 11311 1 1257 . 1 1 106 106 SER HB3 H 1 3.737 0.030 . 2 . . . . 106 SER HB3 . 11311 1 1258 . 1 1 106 106 SER C C 13 171.868 0.300 . 1 . . . . 106 SER C . 11311 1 1259 . 1 1 106 106 SER CA C 13 56.500 0.300 . 1 . . . . 106 SER CA . 11311 1 1260 . 1 1 106 106 SER CB C 13 67.399 0.300 . 1 . . . . 106 SER CB . 11311 1 1261 . 1 1 106 106 SER N N 15 119.995 0.300 . 1 . . . . 106 SER N . 11311 1 1262 . 1 1 107 107 LEU H H 1 7.904 0.030 . 1 . . . . 107 LEU H . 11311 1 1263 . 1 1 107 107 LEU HA H 1 5.035 0.030 . 1 . . . . 107 LEU HA . 11311 1 1264 . 1 1 107 107 LEU HB2 H 1 1.664 0.030 . 2 . . . . 107 LEU HB2 . 11311 1 1265 . 1 1 107 107 LEU HB3 H 1 1.174 0.030 . 2 . . . . 107 LEU HB3 . 11311 1 1266 . 1 1 107 107 LEU HD11 H 1 0.680 0.030 . 1 . . . . 107 LEU HD1 . 11311 1 1267 . 1 1 107 107 LEU HD12 H 1 0.680 0.030 . 1 . . . . 107 LEU HD1 . 11311 1 1268 . 1 1 107 107 LEU HD13 H 1 0.680 0.030 . 1 . . . . 107 LEU HD1 . 11311 1 1269 . 1 1 107 107 LEU HD21 H 1 0.877 0.030 . 1 . . . . 107 LEU HD2 . 11311 1 1270 . 1 1 107 107 LEU HD22 H 1 0.877 0.030 . 1 . . . . 107 LEU HD2 . 11311 1 1271 . 1 1 107 107 LEU HD23 H 1 0.877 0.030 . 1 . . . . 107 LEU HD2 . 11311 1 1272 . 1 1 107 107 LEU HG H 1 1.278 0.030 . 1 . . . . 107 LEU HG . 11311 1 1273 . 1 1 107 107 LEU C C 13 175.705 0.300 . 1 . . . . 107 LEU C . 11311 1 1274 . 1 1 107 107 LEU CA C 13 54.272 0.300 . 1 . . . . 107 LEU CA . 11311 1 1275 . 1 1 107 107 LEU CB C 13 45.055 0.300 . 1 . . . . 107 LEU CB . 11311 1 1276 . 1 1 107 107 LEU CD1 C 13 23.993 0.300 . 2 . . . . 107 LEU CD1 . 11311 1 1277 . 1 1 107 107 LEU CD2 C 13 25.957 0.300 . 2 . . . . 107 LEU CD2 . 11311 1 1278 . 1 1 107 107 LEU CG C 13 27.629 0.300 . 1 . . . . 107 LEU CG . 11311 1 1279 . 1 1 107 107 LEU N N 15 122.851 0.300 . 1 . . . . 107 LEU N . 11311 1 1280 . 1 1 108 108 LYS H H 1 8.319 0.030 . 1 . . . . 108 LYS H . 11311 1 1281 . 1 1 108 108 LYS HA H 1 4.436 0.030 . 1 . . . . 108 LYS HA . 11311 1 1282 . 1 1 108 108 LYS HB2 H 1 1.702 0.030 . 1 . . . . 108 LYS HB2 . 11311 1 1283 . 1 1 108 108 LYS HB3 H 1 1.702 0.030 . 1 . . . . 108 LYS HB3 . 11311 1 1284 . 1 1 108 108 LYS HD2 H 1 1.642 0.030 . 1 . . . . 108 LYS HD2 . 11311 1 1285 . 1 1 108 108 LYS HD3 H 1 1.642 0.030 . 1 . . . . 108 LYS HD3 . 11311 1 1286 . 1 1 108 108 LYS HE2 H 1 2.933 0.030 . 1 . . . . 108 LYS HE2 . 11311 1 1287 . 1 1 108 108 LYS HE3 H 1 2.933 0.030 . 1 . . . . 108 LYS HE3 . 11311 1 1288 . 1 1 108 108 LYS HG2 H 1 1.359 0.030 . 2 . . . . 108 LYS HG2 . 11311 1 1289 . 1 1 108 108 LYS HG3 H 1 1.277 0.030 . 2 . . . . 108 LYS HG3 . 11311 1 1290 . 1 1 108 108 LYS C C 13 176.163 0.300 . 1 . . . . 108 LYS C . 11311 1 1291 . 1 1 108 108 LYS CA C 13 55.696 0.300 . 1 . . . . 108 LYS CA . 11311 1 1292 . 1 1 108 108 LYS CB C 13 34.984 0.300 . 1 . . . . 108 LYS CB . 11311 1 1293 . 1 1 108 108 LYS CD C 13 29.112 0.300 . 1 . . . . 108 LYS CD . 11311 1 1294 . 1 1 108 108 LYS CE C 13 42.186 0.300 . 1 . . . . 108 LYS CE . 11311 1 1295 . 1 1 108 108 LYS CG C 13 24.656 0.300 . 1 . . . . 108 LYS CG . 11311 1 1296 . 1 1 108 108 LYS N N 15 126.522 0.300 . 1 . . . . 108 LYS N . 11311 1 1297 . 1 1 109 109 ASN HA H 1 4.280 0.030 . 1 . . . . 109 ASN HA . 11311 1 1298 . 1 1 109 109 ASN HB2 H 1 2.753 0.030 . 2 . . . . 109 ASN HB2 . 11311 1 1299 . 1 1 109 109 ASN HB3 H 1 2.974 0.030 . 2 . . . . 109 ASN HB3 . 11311 1 1300 . 1 1 109 109 ASN HD21 H 1 6.933 0.030 . 2 . . . . 109 ASN HD21 . 11311 1 1301 . 1 1 109 109 ASN HD22 H 1 7.653 0.030 . 2 . . . . 109 ASN HD22 . 11311 1 1302 . 1 1 109 109 ASN C C 13 174.106 0.300 . 1 . . . . 109 ASN C . 11311 1 1303 . 1 1 109 109 ASN CA C 13 54.732 0.300 . 1 . . . . 109 ASN CA . 11311 1 1304 . 1 1 109 109 ASN CB C 13 37.198 0.300 . 1 . . . . 109 ASN CB . 11311 1 1305 . 1 1 109 109 ASN ND2 N 15 113.009 0.300 . 1 . . . . 109 ASN ND2 . 11311 1 1306 . 1 1 110 110 ASN H H 1 8.687 0.030 . 1 . . . . 110 ASN H . 11311 1 1307 . 1 1 110 110 ASN HA H 1 4.153 0.030 . 1 . . . . 110 ASN HA . 11311 1 1308 . 1 1 110 110 ASN HB2 H 1 2.950 0.030 . 2 . . . . 110 ASN HB2 . 11311 1 1309 . 1 1 110 110 ASN HB3 H 1 3.073 0.030 . 2 . . . . 110 ASN HB3 . 11311 1 1310 . 1 1 110 110 ASN HD21 H 1 6.862 0.030 . 2 . . . . 110 ASN HD21 . 11311 1 1311 . 1 1 110 110 ASN HD22 H 1 7.524 0.030 . 2 . . . . 110 ASN HD22 . 11311 1 1312 . 1 1 110 110 ASN C C 13 173.743 0.300 . 1 . . . . 110 ASN C . 11311 1 1313 . 1 1 110 110 ASN CA C 13 55.121 0.300 . 1 . . . . 110 ASN CA . 11311 1 1314 . 1 1 110 110 ASN CB C 13 38.196 0.300 . 1 . . . . 110 ASN CB . 11311 1 1315 . 1 1 110 110 ASN N N 15 108.726 0.300 . 1 . . . . 110 ASN N . 11311 1 1316 . 1 1 110 110 ASN ND2 N 15 112.953 0.300 . 1 . . . . 110 ASN ND2 . 11311 1 1317 . 1 1 111 111 VAL H H 1 7.900 0.030 . 1 . . . . 111 VAL H . 11311 1 1318 . 1 1 111 111 VAL HA H 1 4.277 0.030 . 1 . . . . 111 VAL HA . 11311 1 1319 . 1 1 111 111 VAL HB H 1 2.093 0.030 . 1 . . . . 111 VAL HB . 11311 1 1320 . 1 1 111 111 VAL HG11 H 1 0.917 0.030 . 1 . . . . 111 VAL HG1 . 11311 1 1321 . 1 1 111 111 VAL HG12 H 1 0.917 0.030 . 1 . . . . 111 VAL HG1 . 11311 1 1322 . 1 1 111 111 VAL HG13 H 1 0.917 0.030 . 1 . . . . 111 VAL HG1 . 11311 1 1323 . 1 1 111 111 VAL HG21 H 1 0.954 0.030 . 1 . . . . 111 VAL HG2 . 11311 1 1324 . 1 1 111 111 VAL HG22 H 1 0.954 0.030 . 1 . . . . 111 VAL HG2 . 11311 1 1325 . 1 1 111 111 VAL HG23 H 1 0.954 0.030 . 1 . . . . 111 VAL HG2 . 11311 1 1326 . 1 1 111 111 VAL C C 13 176.332 0.300 . 1 . . . . 111 VAL C . 11311 1 1327 . 1 1 111 111 VAL CA C 13 62.131 0.300 . 1 . . . . 111 VAL CA . 11311 1 1328 . 1 1 111 111 VAL CB C 13 34.302 0.300 . 1 . . . . 111 VAL CB . 11311 1 1329 . 1 1 111 111 VAL CG1 C 13 20.621 0.300 . 2 . . . . 111 VAL CG1 . 11311 1 1330 . 1 1 111 111 VAL CG2 C 13 21.197 0.300 . 2 . . . . 111 VAL CG2 . 11311 1 1331 . 1 1 111 111 VAL N N 15 121.672 0.300 . 1 . . . . 111 VAL N . 11311 1 1332 . 1 1 112 112 VAL H H 1 9.459 0.030 . 1 . . . . 112 VAL H . 11311 1 1333 . 1 1 112 112 VAL HA H 1 4.605 0.030 . 1 . . . . 112 VAL HA . 11311 1 1334 . 1 1 112 112 VAL HB H 1 1.797 0.030 . 1 . . . . 112 VAL HB . 11311 1 1335 . 1 1 112 112 VAL HG11 H 1 0.609 0.030 . 1 . . . . 112 VAL HG1 . 11311 1 1336 . 1 1 112 112 VAL HG12 H 1 0.609 0.030 . 1 . . . . 112 VAL HG1 . 11311 1 1337 . 1 1 112 112 VAL HG13 H 1 0.609 0.030 . 1 . . . . 112 VAL HG1 . 11311 1 1338 . 1 1 112 112 VAL HG21 H 1 0.801 0.030 . 1 . . . . 112 VAL HG2 . 11311 1 1339 . 1 1 112 112 VAL HG22 H 1 0.801 0.030 . 1 . . . . 112 VAL HG2 . 11311 1 1340 . 1 1 112 112 VAL HG23 H 1 0.801 0.030 . 1 . . . . 112 VAL HG2 . 11311 1 1341 . 1 1 112 112 VAL C C 13 174.664 0.300 . 1 . . . . 112 VAL C . 11311 1 1342 . 1 1 112 112 VAL CA C 13 61.564 0.300 . 1 . . . . 112 VAL CA . 11311 1 1343 . 1 1 112 112 VAL CB C 13 32.146 0.300 . 1 . . . . 112 VAL CB . 11311 1 1344 . 1 1 112 112 VAL CG1 C 13 21.733 0.300 . 2 . . . . 112 VAL CG1 . 11311 1 1345 . 1 1 112 112 VAL CG2 C 13 22.782 0.300 . 2 . . . . 112 VAL CG2 . 11311 1 1346 . 1 1 112 112 VAL N N 15 133.489 0.300 . 1 . . . . 112 VAL N . 11311 1 1347 . 1 1 113 113 SER H H 1 9.109 0.030 . 1 . . . . 113 SER H . 11311 1 1348 . 1 1 113 113 SER HA H 1 5.356 0.030 . 1 . . . . 113 SER HA . 11311 1 1349 . 1 1 113 113 SER HB2 H 1 3.208 0.030 . 2 . . . . 113 SER HB2 . 11311 1 1350 . 1 1 113 113 SER HB3 H 1 3.318 0.030 . 2 . . . . 113 SER HB3 . 11311 1 1351 . 1 1 113 113 SER C C 13 171.896 0.300 . 1 . . . . 113 SER C . 11311 1 1352 . 1 1 113 113 SER CA C 13 56.960 0.300 . 1 . . . . 113 SER CA . 11311 1 1353 . 1 1 113 113 SER CB C 13 66.368 0.300 . 1 . . . . 113 SER CB . 11311 1 1354 . 1 1 113 113 SER N N 15 120.688 0.300 . 1 . . . . 113 SER N . 11311 1 1355 . 1 1 114 114 VAL H H 1 9.155 0.030 . 1 . . . . 114 VAL H . 11311 1 1356 . 1 1 114 114 VAL HA H 1 4.791 0.030 . 1 . . . . 114 VAL HA . 11311 1 1357 . 1 1 114 114 VAL HB H 1 0.984 0.030 . 1 . . . . 114 VAL HB . 11311 1 1358 . 1 1 114 114 VAL HG11 H 1 0.660 0.030 . 1 . . . . 114 VAL HG1 . 11311 1 1359 . 1 1 114 114 VAL HG12 H 1 0.660 0.030 . 1 . . . . 114 VAL HG1 . 11311 1 1360 . 1 1 114 114 VAL HG13 H 1 0.660 0.030 . 1 . . . . 114 VAL HG1 . 11311 1 1361 . 1 1 114 114 VAL HG21 H 1 -0.191 0.030 . 1 . . . . 114 VAL HG2 . 11311 1 1362 . 1 1 114 114 VAL HG22 H 1 -0.191 0.030 . 1 . . . . 114 VAL HG2 . 11311 1 1363 . 1 1 114 114 VAL HG23 H 1 -0.191 0.030 . 1 . . . . 114 VAL HG2 . 11311 1 1364 . 1 1 114 114 VAL C C 13 173.864 0.300 . 1 . . . . 114 VAL C . 11311 1 1365 . 1 1 114 114 VAL CA C 13 57.385 0.300 . 1 . . . . 114 VAL CA . 11311 1 1366 . 1 1 114 114 VAL CB C 13 33.973 0.300 . 1 . . . . 114 VAL CB . 11311 1 1367 . 1 1 114 114 VAL CG1 C 13 18.207 0.300 . 2 . . . . 114 VAL CG1 . 11311 1 1368 . 1 1 114 114 VAL CG2 C 13 22.052 0.300 . 2 . . . . 114 VAL CG2 . 11311 1 1369 . 1 1 114 114 VAL N N 15 120.938 0.300 . 1 . . . . 114 VAL N . 11311 1 1370 . 1 1 115 115 ASN H H 1 9.784 0.030 . 1 . . . . 115 ASN H . 11311 1 1371 . 1 1 115 115 ASN HA H 1 4.264 0.030 . 1 . . . . 115 ASN HA . 11311 1 1372 . 1 1 115 115 ASN HB2 H 1 2.972 0.030 . 2 . . . . 115 ASN HB2 . 11311 1 1373 . 1 1 115 115 ASN HB3 H 1 3.023 0.030 . 2 . . . . 115 ASN HB3 . 11311 1 1374 . 1 1 115 115 ASN HD21 H 1 7.187 0.030 . 2 . . . . 115 ASN HD21 . 11311 1 1375 . 1 1 115 115 ASN HD22 H 1 7.705 0.030 . 2 . . . . 115 ASN HD22 . 11311 1 1376 . 1 1 115 115 ASN C C 13 175.216 0.300 . 1 . . . . 115 ASN C . 11311 1 1377 . 1 1 115 115 ASN CA C 13 53.900 0.300 . 1 . . . . 115 ASN CA . 11311 1 1378 . 1 1 115 115 ASN CB C 13 35.869 0.300 . 1 . . . . 115 ASN CB . 11311 1 1379 . 1 1 115 115 ASN N N 15 128.251 0.300 . 1 . . . . 115 ASN N . 11311 1 1380 . 1 1 115 115 ASN ND2 N 15 111.361 0.300 . 1 . . . . 115 ASN ND2 . 11311 1 1381 . 1 1 116 116 LYS H H 1 8.284 0.030 . 1 . . . . 116 LYS H . 11311 1 1382 . 1 1 116 116 LYS HA H 1 3.618 0.030 . 1 . . . . 116 LYS HA . 11311 1 1383 . 1 1 116 116 LYS HB2 H 1 1.942 0.030 . 2 . . . . 116 LYS HB2 . 11311 1 1384 . 1 1 116 116 LYS HB3 H 1 2.175 0.030 . 2 . . . . 116 LYS HB3 . 11311 1 1385 . 1 1 116 116 LYS HD2 H 1 1.630 0.030 . 2 . . . . 116 LYS HD2 . 11311 1 1386 . 1 1 116 116 LYS HD3 H 1 1.564 0.030 . 2 . . . . 116 LYS HD3 . 11311 1 1387 . 1 1 116 116 LYS HE2 H 1 2.930 0.030 . 1 . . . . 116 LYS HE2 . 11311 1 1388 . 1 1 116 116 LYS HE3 H 1 2.930 0.030 . 1 . . . . 116 LYS HE3 . 11311 1 1389 . 1 1 116 116 LYS HG2 H 1 1.283 0.030 . 2 . . . . 116 LYS HG2 . 11311 1 1390 . 1 1 116 116 LYS HG3 H 1 1.322 0.030 . 2 . . . . 116 LYS HG3 . 11311 1 1391 . 1 1 116 116 LYS C C 13 175.602 0.300 . 1 . . . . 116 LYS C . 11311 1 1392 . 1 1 116 116 LYS CA C 13 58.475 0.300 . 1 . . . . 116 LYS CA . 11311 1 1393 . 1 1 116 116 LYS CB C 13 30.511 0.300 . 1 . . . . 116 LYS CB . 11311 1 1394 . 1 1 116 116 LYS CD C 13 28.985 0.300 . 1 . . . . 116 LYS CD . 11311 1 1395 . 1 1 116 116 LYS CE C 13 42.265 0.300 . 1 . . . . 116 LYS CE . 11311 1 1396 . 1 1 116 116 LYS CG C 13 25.499 0.300 . 1 . . . . 116 LYS CG . 11311 1 1397 . 1 1 116 116 LYS N N 15 107.121 0.300 . 1 . . . . 116 LYS N . 11311 1 1398 . 1 1 117 117 GLU H H 1 8.541 0.030 . 1 . . . . 117 GLU H . 11311 1 1399 . 1 1 117 117 GLU HA H 1 4.789 0.030 . 1 . . . . 117 GLU HA . 11311 1 1400 . 1 1 117 117 GLU HB2 H 1 2.036 0.030 . 2 . . . . 117 GLU HB2 . 11311 1 1401 . 1 1 117 117 GLU HB3 H 1 2.176 0.030 . 2 . . . . 117 GLU HB3 . 11311 1 1402 . 1 1 117 117 GLU HG2 H 1 2.136 0.030 . 2 . . . . 117 GLU HG2 . 11311 1 1403 . 1 1 117 117 GLU HG3 H 1 2.182 0.030 . 2 . . . . 117 GLU HG3 . 11311 1 1404 . 1 1 117 117 GLU C C 13 174.220 0.300 . 1 . . . . 117 GLU C . 11311 1 1405 . 1 1 117 117 GLU CA C 13 52.892 0.300 . 1 . . . . 117 GLU CA . 11311 1 1406 . 1 1 117 117 GLU CB C 13 29.302 0.300 . 1 . . . . 117 GLU CB . 11311 1 1407 . 1 1 117 117 GLU CG C 13 34.942 0.300 . 1 . . . . 117 GLU CG . 11311 1 1408 . 1 1 117 117 GLU N N 15 125.358 0.300 . 1 . . . . 117 GLU N . 11311 1 1409 . 1 1 118 118 PRO HA H 1 4.657 0.030 . 1 . . . . 118 PRO HA . 11311 1 1410 . 1 1 118 118 PRO HB2 H 1 1.788 0.030 . 2 . . . . 118 PRO HB2 . 11311 1 1411 . 1 1 118 118 PRO HB3 H 1 2.070 0.030 . 2 . . . . 118 PRO HB3 . 11311 1 1412 . 1 1 118 118 PRO HD2 H 1 3.835 0.030 . 1 . . . . 118 PRO HD2 . 11311 1 1413 . 1 1 118 118 PRO HD3 H 1 3.835 0.030 . 1 . . . . 118 PRO HD3 . 11311 1 1414 . 1 1 118 118 PRO HG2 H 1 2.140 0.030 . 2 . . . . 118 PRO HG2 . 11311 1 1415 . 1 1 118 118 PRO HG3 H 1 1.957 0.030 . 2 . . . . 118 PRO HG3 . 11311 1 1416 . 1 1 118 118 PRO C C 13 177.475 0.300 . 1 . . . . 118 PRO C . 11311 1 1417 . 1 1 118 118 PRO CA C 13 62.549 0.300 . 1 . . . . 118 PRO CA . 11311 1 1418 . 1 1 118 118 PRO CB C 13 32.159 0.300 . 1 . . . . 118 PRO CB . 11311 1 1419 . 1 1 118 118 PRO CD C 13 50.631 0.300 . 1 . . . . 118 PRO CD . 11311 1 1420 . 1 1 118 118 PRO CG C 13 27.354 0.300 . 1 . . . . 118 PRO CG . 11311 1 1421 . 1 1 119 119 VAL H H 1 9.225 0.030 . 1 . . . . 119 VAL H . 11311 1 1422 . 1 1 119 119 VAL HA H 1 4.279 0.030 . 1 . . . . 119 VAL HA . 11311 1 1423 . 1 1 119 119 VAL HB H 1 2.214 0.030 . 1 . . . . 119 VAL HB . 11311 1 1424 . 1 1 119 119 VAL HG11 H 1 0.995 0.030 . 1 . . . . 119 VAL HG1 . 11311 1 1425 . 1 1 119 119 VAL HG12 H 1 0.995 0.030 . 1 . . . . 119 VAL HG1 . 11311 1 1426 . 1 1 119 119 VAL HG13 H 1 0.995 0.030 . 1 . . . . 119 VAL HG1 . 11311 1 1427 . 1 1 119 119 VAL HG21 H 1 0.845 0.030 . 1 . . . . 119 VAL HG2 . 11311 1 1428 . 1 1 119 119 VAL HG22 H 1 0.845 0.030 . 1 . . . . 119 VAL HG2 . 11311 1 1429 . 1 1 119 119 VAL HG23 H 1 0.845 0.030 . 1 . . . . 119 VAL HG2 . 11311 1 1430 . 1 1 119 119 VAL C C 13 176.477 0.300 . 1 . . . . 119 VAL C . 11311 1 1431 . 1 1 119 119 VAL CA C 13 62.125 0.300 . 1 . . . . 119 VAL CA . 11311 1 1432 . 1 1 119 119 VAL CB C 13 32.188 0.300 . 1 . . . . 119 VAL CB . 11311 1 1433 . 1 1 119 119 VAL CG1 C 13 22.236 0.300 . 2 . . . . 119 VAL CG1 . 11311 1 1434 . 1 1 119 119 VAL CG2 C 13 22.018 0.300 . 2 . . . . 119 VAL CG2 . 11311 1 1435 . 1 1 119 119 VAL N N 15 124.946 0.300 . 1 . . . . 119 VAL N . 11311 1 1436 . 1 1 120 120 ALA H H 1 8.895 0.030 . 1 . . . . 120 ALA H . 11311 1 1437 . 1 1 120 120 ALA HA H 1 4.310 0.030 . 1 . . . . 120 ALA HA . 11311 1 1438 . 1 1 120 120 ALA HB1 H 1 1.426 0.030 . 1 . . . . 120 ALA HB . 11311 1 1439 . 1 1 120 120 ALA HB2 H 1 1.426 0.030 . 1 . . . . 120 ALA HB . 11311 1 1440 . 1 1 120 120 ALA HB3 H 1 1.426 0.030 . 1 . . . . 120 ALA HB . 11311 1 1441 . 1 1 120 120 ALA C C 13 178.335 0.300 . 1 . . . . 120 ALA C . 11311 1 1442 . 1 1 120 120 ALA CA C 13 54.024 0.300 . 1 . . . . 120 ALA CA . 11311 1 1443 . 1 1 120 120 ALA CB C 13 19.647 0.300 . 1 . . . . 120 ALA CB . 11311 1 1444 . 1 1 120 120 ALA N N 15 132.570 0.300 . 1 . . . . 120 ALA N . 11311 1 1445 . 1 1 121 121 GLU H H 1 6.841 0.030 . 1 . . . . 121 GLU H . 11311 1 1446 . 1 1 121 121 GLU HA H 1 4.850 0.030 . 1 . . . . 121 GLU HA . 11311 1 1447 . 1 1 121 121 GLU HB2 H 1 2.026 0.030 . 1 . . . . 121 GLU HB2 . 11311 1 1448 . 1 1 121 121 GLU HB3 H 1 2.026 0.030 . 1 . . . . 121 GLU HB3 . 11311 1 1449 . 1 1 121 121 GLU HG2 H 1 2.225 0.030 . 1 . . . . 121 GLU HG2 . 11311 1 1450 . 1 1 121 121 GLU HG3 H 1 2.225 0.030 . 1 . . . . 121 GLU HG3 . 11311 1 1451 . 1 1 121 121 GLU C C 13 171.888 0.300 . 1 . . . . 121 GLU C . 11311 1 1452 . 1 1 121 121 GLU CA C 13 53.458 0.300 . 1 . . . . 121 GLU CA . 11311 1 1453 . 1 1 121 121 GLU CB C 13 31.500 0.300 . 1 . . . . 121 GLU CB . 11311 1 1454 . 1 1 121 121 GLU CG C 13 35.194 0.300 . 1 . . . . 121 GLU CG . 11311 1 1455 . 1 1 121 121 GLU N N 15 115.049 0.300 . 1 . . . . 121 GLU N . 11311 1 1456 . 1 1 122 122 PRO HA H 1 5.635 0.030 . 1 . . . . 122 PRO HA . 11311 1 1457 . 1 1 122 122 PRO HB2 H 1 2.025 0.030 . 2 . . . . 122 PRO HB2 . 11311 1 1458 . 1 1 122 122 PRO HB3 H 1 2.079 0.030 . 2 . . . . 122 PRO HB3 . 11311 1 1459 . 1 1 122 122 PRO HD2 H 1 3.961 0.030 . 2 . . . . 122 PRO HD2 . 11311 1 1460 . 1 1 122 122 PRO HD3 H 1 3.541 0.030 . 2 . . . . 122 PRO HD3 . 11311 1 1461 . 1 1 122 122 PRO HG2 H 1 2.082 0.030 . 1 . . . . 122 PRO HG2 . 11311 1 1462 . 1 1 122 122 PRO HG3 H 1 2.082 0.030 . 1 . . . . 122 PRO HG3 . 11311 1 1463 . 1 1 122 122 PRO C C 13 177.062 0.300 . 1 . . . . 122 PRO C . 11311 1 1464 . 1 1 122 122 PRO CA C 13 62.045 0.300 . 1 . . . . 122 PRO CA . 11311 1 1465 . 1 1 122 122 PRO CB C 13 33.639 0.300 . 1 . . . . 122 PRO CB . 11311 1 1466 . 1 1 122 122 PRO CD C 13 50.861 0.300 . 1 . . . . 122 PRO CD . 11311 1 1467 . 1 1 122 122 PRO CG C 13 25.683 0.300 . 1 . . . . 122 PRO CG . 11311 1 1468 . 1 1 123 123 ASP H H 1 9.729 0.030 . 1 . . . . 123 ASP H . 11311 1 1469 . 1 1 123 123 ASP HA H 1 3.874 0.030 . 1 . . . . 123 ASP HA . 11311 1 1470 . 1 1 123 123 ASP HB2 H 1 2.873 0.030 . 2 . . . . 123 ASP HB2 . 11311 1 1471 . 1 1 123 123 ASP HB3 H 1 2.972 0.030 . 2 . . . . 123 ASP HB3 . 11311 1 1472 . 1 1 123 123 ASP C C 13 174.949 0.300 . 1 . . . . 123 ASP C . 11311 1 1473 . 1 1 123 123 ASP CA C 13 54.816 0.300 . 1 . . . . 123 ASP CA . 11311 1 1474 . 1 1 123 123 ASP CB C 13 37.731 0.300 . 1 . . . . 123 ASP CB . 11311 1 1475 . 1 1 123 123 ASP N N 15 114.268 0.300 . 1 . . . . 123 ASP N . 11311 1 1476 . 1 1 124 124 ILE H H 1 8.734 0.030 . 1 . . . . 124 ILE H . 11311 1 1477 . 1 1 124 124 ILE HA H 1 4.021 0.030 . 1 . . . . 124 ILE HA . 11311 1 1478 . 1 1 124 124 ILE HB H 1 2.008 0.030 . 1 . . . . 124 ILE HB . 11311 1 1479 . 1 1 124 124 ILE HD11 H 1 0.723 0.030 . 1 . . . . 124 ILE HD1 . 11311 1 1480 . 1 1 124 124 ILE HD12 H 1 0.723 0.030 . 1 . . . . 124 ILE HD1 . 11311 1 1481 . 1 1 124 124 ILE HD13 H 1 0.723 0.030 . 1 . . . . 124 ILE HD1 . 11311 1 1482 . 1 1 124 124 ILE HG12 H 1 0.863 0.030 . 2 . . . . 124 ILE HG12 . 11311 1 1483 . 1 1 124 124 ILE HG13 H 1 1.532 0.030 . 2 . . . . 124 ILE HG13 . 11311 1 1484 . 1 1 124 124 ILE HG21 H 1 0.798 0.030 . 1 . . . . 124 ILE HG2 . 11311 1 1485 . 1 1 124 124 ILE HG22 H 1 0.798 0.030 . 1 . . . . 124 ILE HG2 . 11311 1 1486 . 1 1 124 124 ILE HG23 H 1 0.798 0.030 . 1 . . . . 124 ILE HG2 . 11311 1 1487 . 1 1 124 124 ILE C C 13 175.775 0.300 . 1 . . . . 124 ILE C . 11311 1 1488 . 1 1 124 124 ILE CA C 13 62.797 0.300 . 1 . . . . 124 ILE CA . 11311 1 1489 . 1 1 124 124 ILE CB C 13 36.572 0.300 . 1 . . . . 124 ILE CB . 11311 1 1490 . 1 1 124 124 ILE CD1 C 13 13.900 0.300 . 1 . . . . 124 ILE CD1 . 11311 1 1491 . 1 1 124 124 ILE CG1 C 13 26.932 0.300 . 1 . . . . 124 ILE CG1 . 11311 1 1492 . 1 1 124 124 ILE CG2 C 13 18.360 0.300 . 1 . . . . 124 ILE CG2 . 11311 1 1493 . 1 1 124 124 ILE N N 15 121.019 0.300 . 1 . . . . 124 ILE N . 11311 1 1494 . 1 1 125 125 MET H H 1 8.087 0.030 . 1 . . . . 125 MET H . 11311 1 1495 . 1 1 125 125 MET HA H 1 4.601 0.030 . 1 . . . . 125 MET HA . 11311 1 1496 . 1 1 125 125 MET HB2 H 1 1.991 0.030 . 1 . . . . 125 MET HB2 . 11311 1 1497 . 1 1 125 125 MET HB3 H 1 1.991 0.030 . 1 . . . . 125 MET HB3 . 11311 1 1498 . 1 1 125 125 MET HE1 H 1 1.953 0.030 . 1 . . . . 125 MET HE . 11311 1 1499 . 1 1 125 125 MET HE2 H 1 1.953 0.030 . 1 . . . . 125 MET HE . 11311 1 1500 . 1 1 125 125 MET HE3 H 1 1.953 0.030 . 1 . . . . 125 MET HE . 11311 1 1501 . 1 1 125 125 MET HG2 H 1 2.652 0.030 . 2 . . . . 125 MET HG2 . 11311 1 1502 . 1 1 125 125 MET HG3 H 1 2.756 0.030 . 2 . . . . 125 MET HG3 . 11311 1 1503 . 1 1 125 125 MET C C 13 174.821 0.300 . 1 . . . . 125 MET C . 11311 1 1504 . 1 1 125 125 MET CA C 13 54.909 0.300 . 1 . . . . 125 MET CA . 11311 1 1505 . 1 1 125 125 MET CB C 13 31.170 0.300 . 1 . . . . 125 MET CB . 11311 1 1506 . 1 1 125 125 MET CE C 13 15.550 0.300 . 1 . . . . 125 MET CE . 11311 1 1507 . 1 1 125 125 MET CG C 13 31.574 0.300 . 1 . . . . 125 MET CG . 11311 1 1508 . 1 1 125 125 MET N N 15 125.643 0.300 . 1 . . . . 125 MET N . 11311 1 1509 . 1 1 126 126 ALA H H 1 8.367 0.030 . 1 . . . . 126 ALA H . 11311 1 1510 . 1 1 126 126 ALA HA H 1 4.869 0.030 . 1 . . . . 126 ALA HA . 11311 1 1511 . 1 1 126 126 ALA HB1 H 1 1.293 0.030 . 1 . . . . 126 ALA HB . 11311 1 1512 . 1 1 126 126 ALA HB2 H 1 1.293 0.030 . 1 . . . . 126 ALA HB . 11311 1 1513 . 1 1 126 126 ALA HB3 H 1 1.293 0.030 . 1 . . . . 126 ALA HB . 11311 1 1514 . 1 1 126 126 ALA C C 13 177.895 0.300 . 1 . . . . 126 ALA C . 11311 1 1515 . 1 1 126 126 ALA CA C 13 49.992 0.300 . 1 . . . . 126 ALA CA . 11311 1 1516 . 1 1 126 126 ALA CB C 13 23.126 0.300 . 1 . . . . 126 ALA CB . 11311 1 1517 . 1 1 126 126 ALA N N 15 122.850 0.300 . 1 . . . . 126 ALA N . 11311 1 1518 . 1 1 127 127 THR H H 1 9.179 0.030 . 1 . . . . 127 THR H . 11311 1 1519 . 1 1 127 127 THR HA H 1 4.024 0.030 . 1 . . . . 127 THR HA . 11311 1 1520 . 1 1 127 127 THR HB H 1 4.241 0.030 . 1 . . . . 127 THR HB . 11311 1 1521 . 1 1 127 127 THR HG21 H 1 1.152 0.030 . 1 . . . . 127 THR HG2 . 11311 1 1522 . 1 1 127 127 THR HG22 H 1 1.152 0.030 . 1 . . . . 127 THR HG2 . 11311 1 1523 . 1 1 127 127 THR HG23 H 1 1.152 0.030 . 1 . . . . 127 THR HG2 . 11311 1 1524 . 1 1 127 127 THR C C 13 176.315 0.300 . 1 . . . . 127 THR C . 11311 1 1525 . 1 1 127 127 THR CA C 13 64.410 0.300 . 1 . . . . 127 THR CA . 11311 1 1526 . 1 1 127 127 THR CB C 13 68.336 0.300 . 1 . . . . 127 THR CB . 11311 1 1527 . 1 1 127 127 THR CG2 C 13 22.687 0.300 . 1 . . . . 127 THR CG2 . 11311 1 1528 . 1 1 127 127 THR N N 15 111.020 0.300 . 1 . . . . 127 THR N . 11311 1 1529 . 1 1 128 128 ASN H H 1 7.956 0.030 . 1 . . . . 128 ASN H . 11311 1 1530 . 1 1 128 128 ASN HA H 1 5.022 0.030 . 1 . . . . 128 ASN HA . 11311 1 1531 . 1 1 128 128 ASN HB2 H 1 2.774 0.030 . 2 . . . . 128 ASN HB2 . 11311 1 1532 . 1 1 128 128 ASN HB3 H 1 3.317 0.030 . 2 . . . . 128 ASN HB3 . 11311 1 1533 . 1 1 128 128 ASN HD21 H 1 8.108 0.030 . 2 . . . . 128 ASN HD21 . 11311 1 1534 . 1 1 128 128 ASN HD22 H 1 6.823 0.030 . 2 . . . . 128 ASN HD22 . 11311 1 1535 . 1 1 128 128 ASN C C 13 173.202 0.300 . 1 . . . . 128 ASN C . 11311 1 1536 . 1 1 128 128 ASN CA C 13 51.124 0.300 . 1 . . . . 128 ASN CA . 11311 1 1537 . 1 1 128 128 ASN CB C 13 36.921 0.300 . 1 . . . . 128 ASN CB . 11311 1 1538 . 1 1 128 128 ASN N N 15 117.376 0.300 . 1 . . . . 128 ASN N . 11311 1 1539 . 1 1 128 128 ASN ND2 N 15 108.716 0.300 . 1 . . . . 128 ASN ND2 . 11311 1 1540 . 1 1 129 129 GLY H H 1 6.893 0.030 . 1 . . . . 129 GLY H . 11311 1 1541 . 1 1 129 129 GLY HA2 H 1 3.662 0.030 . 2 . . . . 129 GLY HA2 . 11311 1 1542 . 1 1 129 129 GLY HA3 H 1 5.024 0.030 . 2 . . . . 129 GLY HA3 . 11311 1 1543 . 1 1 129 129 GLY C C 13 169.948 0.300 . 1 . . . . 129 GLY C . 11311 1 1544 . 1 1 129 129 GLY CA C 13 46.702 0.300 . 1 . . . . 129 GLY CA . 11311 1 1545 . 1 1 129 129 GLY N N 15 102.693 0.300 . 1 . . . . 129 GLY N . 11311 1 1546 . 1 1 130 130 VAL H H 1 8.446 0.030 . 1 . . . . 130 VAL H . 11311 1 1547 . 1 1 130 130 VAL HA H 1 4.874 0.030 . 1 . . . . 130 VAL HA . 11311 1 1548 . 1 1 130 130 VAL HB H 1 1.689 0.030 . 1 . . . . 130 VAL HB . 11311 1 1549 . 1 1 130 130 VAL HG11 H 1 0.721 0.030 . 1 . . . . 130 VAL HG1 . 11311 1 1550 . 1 1 130 130 VAL HG12 H 1 0.721 0.030 . 1 . . . . 130 VAL HG1 . 11311 1 1551 . 1 1 130 130 VAL HG13 H 1 0.721 0.030 . 1 . . . . 130 VAL HG1 . 11311 1 1552 . 1 1 130 130 VAL HG21 H 1 0.537 0.030 . 1 . . . . 130 VAL HG2 . 11311 1 1553 . 1 1 130 130 VAL HG22 H 1 0.537 0.030 . 1 . . . . 130 VAL HG2 . 11311 1 1554 . 1 1 130 130 VAL HG23 H 1 0.537 0.030 . 1 . . . . 130 VAL HG2 . 11311 1 1555 . 1 1 130 130 VAL C C 13 170.817 0.300 . 1 . . . . 130 VAL C . 11311 1 1556 . 1 1 130 130 VAL CA C 13 58.517 0.300 . 1 . . . . 130 VAL CA . 11311 1 1557 . 1 1 130 130 VAL CB C 13 34.900 0.300 . 1 . . . . 130 VAL CB . 11311 1 1558 . 1 1 130 130 VAL CG1 C 13 21.036 0.300 . 2 . . . . 130 VAL CG1 . 11311 1 1559 . 1 1 130 130 VAL CG2 C 13 23.156 0.300 . 2 . . . . 130 VAL CG2 . 11311 1 1560 . 1 1 130 130 VAL N N 15 120.006 0.300 . 1 . . . . 130 VAL N . 11311 1 1561 . 1 1 131 131 VAL H H 1 9.093 0.030 . 1 . . . . 131 VAL H . 11311 1 1562 . 1 1 131 131 VAL HA H 1 4.626 0.030 . 1 . . . . 131 VAL HA . 11311 1 1563 . 1 1 131 131 VAL HB H 1 1.837 0.030 . 1 . . . . 131 VAL HB . 11311 1 1564 . 1 1 131 131 VAL HG11 H 1 0.537 0.030 . 1 . . . . 131 VAL HG1 . 11311 1 1565 . 1 1 131 131 VAL HG12 H 1 0.537 0.030 . 1 . . . . 131 VAL HG1 . 11311 1 1566 . 1 1 131 131 VAL HG13 H 1 0.537 0.030 . 1 . . . . 131 VAL HG1 . 11311 1 1567 . 1 1 131 131 VAL HG21 H 1 0.613 0.030 . 1 . . . . 131 VAL HG2 . 11311 1 1568 . 1 1 131 131 VAL HG22 H 1 0.613 0.030 . 1 . . . . 131 VAL HG2 . 11311 1 1569 . 1 1 131 131 VAL HG23 H 1 0.613 0.030 . 1 . . . . 131 VAL HG2 . 11311 1 1570 . 1 1 131 131 VAL C C 13 172.895 0.300 . 1 . . . . 131 VAL C . 11311 1 1571 . 1 1 131 131 VAL CA C 13 60.462 0.300 . 1 . . . . 131 VAL CA . 11311 1 1572 . 1 1 131 131 VAL CB C 13 34.067 0.300 . 1 . . . . 131 VAL CB . 11311 1 1573 . 1 1 131 131 VAL CG1 C 13 21.179 0.300 . 2 . . . . 131 VAL CG1 . 11311 1 1574 . 1 1 131 131 VAL CG2 C 13 21.693 0.300 . 2 . . . . 131 VAL CG2 . 11311 1 1575 . 1 1 131 131 VAL N N 15 127.534 0.300 . 1 . . . . 131 VAL N . 11311 1 1576 . 1 1 132 132 HIS H H 1 8.712 0.030 . 1 . . . . 132 HIS H . 11311 1 1577 . 1 1 132 132 HIS HA H 1 5.484 0.030 . 1 . . . . 132 HIS HA . 11311 1 1578 . 1 1 132 132 HIS HB2 H 1 2.682 0.030 . 2 . . . . 132 HIS HB2 . 11311 1 1579 . 1 1 132 132 HIS HB3 H 1 2.899 0.030 . 2 . . . . 132 HIS HB3 . 11311 1 1580 . 1 1 132 132 HIS HD2 H 1 5.765 0.030 . 1 . . . . 132 HIS HD2 . 11311 1 1581 . 1 1 132 132 HIS HE1 H 1 8.492 0.030 . 1 . . . . 132 HIS HE1 . 11311 1 1582 . 1 1 132 132 HIS C C 13 175.654 0.300 . 1 . . . . 132 HIS C . 11311 1 1583 . 1 1 132 132 HIS CA C 13 53.175 0.300 . 1 . . . . 132 HIS CA . 11311 1 1584 . 1 1 132 132 HIS CB C 13 34.265 0.300 . 1 . . . . 132 HIS CB . 11311 1 1585 . 1 1 132 132 HIS CD2 C 13 117.767 0.300 . 1 . . . . 132 HIS CD2 . 11311 1 1586 . 1 1 132 132 HIS CE1 C 13 140.250 0.300 . 1 . . . . 132 HIS CE1 . 11311 1 1587 . 1 1 132 132 HIS N N 15 124.154 0.300 . 1 . . . . 132 HIS N . 11311 1 1588 . 1 1 133 133 VAL H H 1 8.819 0.030 . 1 . . . . 133 VAL H . 11311 1 1589 . 1 1 133 133 VAL HA H 1 4.468 0.030 . 1 . . . . 133 VAL HA . 11311 1 1590 . 1 1 133 133 VAL HB H 1 2.174 0.030 . 1 . . . . 133 VAL HB . 11311 1 1591 . 1 1 133 133 VAL HG11 H 1 1.173 0.030 . 1 . . . . 133 VAL HG1 . 11311 1 1592 . 1 1 133 133 VAL HG12 H 1 1.173 0.030 . 1 . . . . 133 VAL HG1 . 11311 1 1593 . 1 1 133 133 VAL HG13 H 1 1.173 0.030 . 1 . . . . 133 VAL HG1 . 11311 1 1594 . 1 1 133 133 VAL HG21 H 1 1.315 0.030 . 1 . . . . 133 VAL HG2 . 11311 1 1595 . 1 1 133 133 VAL HG22 H 1 1.315 0.030 . 1 . . . . 133 VAL HG2 . 11311 1 1596 . 1 1 133 133 VAL HG23 H 1 1.315 0.030 . 1 . . . . 133 VAL HG2 . 11311 1 1597 . 1 1 133 133 VAL C C 13 176.308 0.300 . 1 . . . . 133 VAL C . 11311 1 1598 . 1 1 133 133 VAL CA C 13 64.707 0.300 . 1 . . . . 133 VAL CA . 11311 1 1599 . 1 1 133 133 VAL CB C 13 32.964 0.300 . 1 . . . . 133 VAL CB . 11311 1 1600 . 1 1 133 133 VAL CG1 C 13 21.963 0.300 . 2 . . . . 133 VAL CG1 . 11311 1 1601 . 1 1 133 133 VAL CG2 C 13 23.303 0.300 . 2 . . . . 133 VAL CG2 . 11311 1 1602 . 1 1 133 133 VAL N N 15 124.772 0.300 . 1 . . . . 133 VAL N . 11311 1 1603 . 1 1 134 134 ILE H H 1 8.631 0.030 . 1 . . . . 134 ILE H . 11311 1 1604 . 1 1 134 134 ILE HA H 1 5.133 0.030 . 1 . . . . 134 ILE HA . 11311 1 1605 . 1 1 134 134 ILE HB H 1 2.338 0.030 . 1 . . . . 134 ILE HB . 11311 1 1606 . 1 1 134 134 ILE HD11 H 1 1.149 0.030 . 1 . . . . 134 ILE HD1 . 11311 1 1607 . 1 1 134 134 ILE HD12 H 1 1.149 0.030 . 1 . . . . 134 ILE HD1 . 11311 1 1608 . 1 1 134 134 ILE HD13 H 1 1.149 0.030 . 1 . . . . 134 ILE HD1 . 11311 1 1609 . 1 1 134 134 ILE HG12 H 1 1.439 0.030 . 2 . . . . 134 ILE HG12 . 11311 1 1610 . 1 1 134 134 ILE HG13 H 1 0.945 0.030 . 2 . . . . 134 ILE HG13 . 11311 1 1611 . 1 1 134 134 ILE HG21 H 1 1.108 0.030 . 1 . . . . 134 ILE HG2 . 11311 1 1612 . 1 1 134 134 ILE HG22 H 1 1.108 0.030 . 1 . . . . 134 ILE HG2 . 11311 1 1613 . 1 1 134 134 ILE HG23 H 1 1.108 0.030 . 1 . . . . 134 ILE HG2 . 11311 1 1614 . 1 1 134 134 ILE C C 13 175.064 0.300 . 1 . . . . 134 ILE C . 11311 1 1615 . 1 1 134 134 ILE CA C 13 60.144 0.300 . 1 . . . . 134 ILE CA . 11311 1 1616 . 1 1 134 134 ILE CB C 13 42.463 0.300 . 1 . . . . 134 ILE CB . 11311 1 1617 . 1 1 134 134 ILE CD1 C 13 15.554 0.300 . 1 . . . . 134 ILE CD1 . 11311 1 1618 . 1 1 134 134 ILE CG1 C 13 25.003 0.300 . 1 . . . . 134 ILE CG1 . 11311 1 1619 . 1 1 134 134 ILE CG2 C 13 19.220 0.300 . 1 . . . . 134 ILE CG2 . 11311 1 1620 . 1 1 134 134 ILE N N 15 121.038 0.300 . 1 . . . . 134 ILE N . 11311 1 1621 . 1 1 135 135 THR H H 1 9.355 0.030 . 1 . . . . 135 THR H . 11311 1 1622 . 1 1 135 135 THR HA H 1 4.655 0.030 . 1 . . . . 135 THR HA . 11311 1 1623 . 1 1 135 135 THR HB H 1 4.456 0.030 . 1 . . . . 135 THR HB . 11311 1 1624 . 1 1 135 135 THR HG21 H 1 1.134 0.030 . 1 . . . . 135 THR HG2 . 11311 1 1625 . 1 1 135 135 THR HG22 H 1 1.134 0.030 . 1 . . . . 135 THR HG2 . 11311 1 1626 . 1 1 135 135 THR HG23 H 1 1.134 0.030 . 1 . . . . 135 THR HG2 . 11311 1 1627 . 1 1 135 135 THR C C 13 173.041 0.300 . 1 . . . . 135 THR C . 11311 1 1628 . 1 1 135 135 THR CA C 13 61.276 0.300 . 1 . . . . 135 THR CA . 11311 1 1629 . 1 1 135 135 THR CB C 13 68.724 0.300 . 1 . . . . 135 THR CB . 11311 1 1630 . 1 1 135 135 THR CG2 C 13 21.734 0.300 . 1 . . . . 135 THR CG2 . 11311 1 1631 . 1 1 135 135 THR N N 15 108.406 0.300 . 1 . . . . 135 THR N . 11311 1 1632 . 1 1 136 136 ASN H H 1 7.376 0.030 . 1 . . . . 136 ASN H . 11311 1 1633 . 1 1 136 136 ASN HA H 1 4.806 0.030 . 1 . . . . 136 ASN HA . 11311 1 1634 . 1 1 136 136 ASN HB2 H 1 2.312 0.030 . 2 . . . . 136 ASN HB2 . 11311 1 1635 . 1 1 136 136 ASN HB3 H 1 2.426 0.030 . 2 . . . . 136 ASN HB3 . 11311 1 1636 . 1 1 136 136 ASN HD21 H 1 6.628 0.030 . 2 . . . . 136 ASN HD21 . 11311 1 1637 . 1 1 136 136 ASN HD22 H 1 8.094 0.030 . 2 . . . . 136 ASN HD22 . 11311 1 1638 . 1 1 136 136 ASN C C 13 172.086 0.300 . 1 . . . . 136 ASN C . 11311 1 1639 . 1 1 136 136 ASN CA C 13 52.539 0.300 . 1 . . . . 136 ASN CA . 11311 1 1640 . 1 1 136 136 ASN CB C 13 43.033 0.300 . 1 . . . . 136 ASN CB . 11311 1 1641 . 1 1 136 136 ASN N N 15 117.674 0.300 . 1 . . . . 136 ASN N . 11311 1 1642 . 1 1 136 136 ASN ND2 N 15 114.684 0.300 . 1 . . . . 136 ASN ND2 . 11311 1 1643 . 1 1 137 137 VAL H H 1 8.130 0.030 . 1 . . . . 137 VAL H . 11311 1 1644 . 1 1 137 137 VAL HA H 1 3.982 0.030 . 1 . . . . 137 VAL HA . 11311 1 1645 . 1 1 137 137 VAL HB H 1 1.763 0.030 . 1 . . . . 137 VAL HB . 11311 1 1646 . 1 1 137 137 VAL HG11 H 1 0.901 0.030 . 1 . . . . 137 VAL HG1 . 11311 1 1647 . 1 1 137 137 VAL HG12 H 1 0.901 0.030 . 1 . . . . 137 VAL HG1 . 11311 1 1648 . 1 1 137 137 VAL HG13 H 1 0.901 0.030 . 1 . . . . 137 VAL HG1 . 11311 1 1649 . 1 1 137 137 VAL HG21 H 1 0.129 0.030 . 1 . . . . 137 VAL HG2 . 11311 1 1650 . 1 1 137 137 VAL HG22 H 1 0.129 0.030 . 1 . . . . 137 VAL HG2 . 11311 1 1651 . 1 1 137 137 VAL HG23 H 1 0.129 0.030 . 1 . . . . 137 VAL HG2 . 11311 1 1652 . 1 1 137 137 VAL C C 13 176.646 0.300 . 1 . . . . 137 VAL C . 11311 1 1653 . 1 1 137 137 VAL CA C 13 62.337 0.300 . 1 . . . . 137 VAL CA . 11311 1 1654 . 1 1 137 137 VAL CB C 13 32.579 0.300 . 1 . . . . 137 VAL CB . 11311 1 1655 . 1 1 137 137 VAL CG1 C 13 21.102 0.300 . 2 . . . . 137 VAL CG1 . 11311 1 1656 . 1 1 137 137 VAL CG2 C 13 21.212 0.300 . 2 . . . . 137 VAL CG2 . 11311 1 1657 . 1 1 137 137 VAL N N 15 118.150 0.300 . 1 . . . . 137 VAL N . 11311 1 1658 . 1 1 138 138 LEU H H 1 10.893 0.030 . 1 . . . . 138 LEU H . 11311 1 1659 . 1 1 138 138 LEU HA H 1 4.204 0.030 . 1 . . . . 138 LEU HA . 11311 1 1660 . 1 1 138 138 LEU HB2 H 1 1.098 0.030 . 2 . . . . 138 LEU HB2 . 11311 1 1661 . 1 1 138 138 LEU HB3 H 1 0.789 0.030 . 2 . . . . 138 LEU HB3 . 11311 1 1662 . 1 1 138 138 LEU HD11 H 1 0.215 0.030 . 1 . . . . 138 LEU HD1 . 11311 1 1663 . 1 1 138 138 LEU HD12 H 1 0.215 0.030 . 1 . . . . 138 LEU HD1 . 11311 1 1664 . 1 1 138 138 LEU HD13 H 1 0.215 0.030 . 1 . . . . 138 LEU HD1 . 11311 1 1665 . 1 1 138 138 LEU HD21 H 1 0.637 0.030 . 1 . . . . 138 LEU HD2 . 11311 1 1666 . 1 1 138 138 LEU HD22 H 1 0.637 0.030 . 1 . . . . 138 LEU HD2 . 11311 1 1667 . 1 1 138 138 LEU HD23 H 1 0.637 0.030 . 1 . . . . 138 LEU HD2 . 11311 1 1668 . 1 1 138 138 LEU HG H 1 1.525 0.030 . 1 . . . . 138 LEU HG . 11311 1 1669 . 1 1 138 138 LEU C C 13 175.619 0.300 . 1 . . . . 138 LEU C . 11311 1 1670 . 1 1 138 138 LEU CA C 13 54.979 0.300 . 1 . . . . 138 LEU CA . 11311 1 1671 . 1 1 138 138 LEU CB C 13 41.548 0.300 . 1 . . . . 138 LEU CB . 11311 1 1672 . 1 1 138 138 LEU CD1 C 13 26.030 0.300 . 2 . . . . 138 LEU CD1 . 11311 1 1673 . 1 1 138 138 LEU CD2 C 13 21.769 0.300 . 2 . . . . 138 LEU CD2 . 11311 1 1674 . 1 1 138 138 LEU CG C 13 26.026 0.300 . 1 . . . . 138 LEU CG . 11311 1 1675 . 1 1 138 138 LEU N N 15 131.960 0.300 . 1 . . . . 138 LEU N . 11311 1 1676 . 1 1 139 139 GLN H H 1 7.889 0.030 . 1 . . . . 139 GLN H . 11311 1 1677 . 1 1 139 139 GLN HA H 1 4.806 0.030 . 1 . . . . 139 GLN HA . 11311 1 1678 . 1 1 139 139 GLN HB2 H 1 1.772 0.030 . 2 . . . . 139 GLN HB2 . 11311 1 1679 . 1 1 139 139 GLN HB3 H 1 1.960 0.030 . 2 . . . . 139 GLN HB3 . 11311 1 1680 . 1 1 139 139 GLN HE21 H 1 7.475 0.030 . 2 . . . . 139 GLN HE21 . 11311 1 1681 . 1 1 139 139 GLN HE22 H 1 6.724 0.030 . 2 . . . . 139 GLN HE22 . 11311 1 1682 . 1 1 139 139 GLN HG2 H 1 2.241 0.030 . 1 . . . . 139 GLN HG2 . 11311 1 1683 . 1 1 139 139 GLN HG3 H 1 2.241 0.030 . 1 . . . . 139 GLN HG3 . 11311 1 1684 . 1 1 139 139 GLN C C 13 173.662 0.300 . 1 . . . . 139 GLN C . 11311 1 1685 . 1 1 139 139 GLN CA C 13 52.185 0.300 . 1 . . . . 139 GLN CA . 11311 1 1686 . 1 1 139 139 GLN CB C 13 31.253 0.300 . 1 . . . . 139 GLN CB . 11311 1 1687 . 1 1 139 139 GLN CG C 13 33.569 0.300 . 1 . . . . 139 GLN CG . 11311 1 1688 . 1 1 139 139 GLN N N 15 114.947 0.300 . 1 . . . . 139 GLN N . 11311 1 1689 . 1 1 139 139 GLN NE2 N 15 111.273 0.300 . 1 . . . . 139 GLN NE2 . 11311 1 1690 . 1 1 140 140 PRO HA H 1 3.337 0.030 . 1 . . . . 140 PRO HA . 11311 1 1691 . 1 1 140 140 PRO HB2 H 1 1.618 0.030 . 2 . . . . 140 PRO HB2 . 11311 1 1692 . 1 1 140 140 PRO HB3 H 1 1.391 0.030 . 2 . . . . 140 PRO HB3 . 11311 1 1693 . 1 1 140 140 PRO HD2 H 1 3.554 0.030 . 2 . . . . 140 PRO HD2 . 11311 1 1694 . 1 1 140 140 PRO HD3 H 1 3.273 0.030 . 2 . . . . 140 PRO HD3 . 11311 1 1695 . 1 1 140 140 PRO HG2 H 1 1.259 0.030 . 2 . . . . 140 PRO HG2 . 11311 1 1696 . 1 1 140 140 PRO HG3 H 1 1.715 0.030 . 2 . . . . 140 PRO HG3 . 11311 1 1697 . 1 1 140 140 PRO C C 13 176.537 0.300 . 1 . . . . 140 PRO C . 11311 1 1698 . 1 1 140 140 PRO CA C 13 62.479 0.300 . 1 . . . . 140 PRO CA . 11311 1 1699 . 1 1 140 140 PRO CB C 13 31.500 0.300 . 1 . . . . 140 PRO CB . 11311 1 1700 . 1 1 140 140 PRO CD C 13 50.434 0.300 . 1 . . . . 140 PRO CD . 11311 1 1701 . 1 1 140 140 PRO CG C 13 26.389 0.300 . 1 . . . . 140 PRO CG . 11311 1 1702 . 1 1 141 141 SER H H 1 8.075 0.030 . 1 . . . . 141 SER H . 11311 1 1703 . 1 1 141 141 SER HA H 1 4.283 0.030 . 1 . . . . 141 SER HA . 11311 1 1704 . 1 1 141 141 SER HB2 H 1 3.841 0.030 . 2 . . . . 141 SER HB2 . 11311 1 1705 . 1 1 141 141 SER C C 13 174.823 0.300 . 1 . . . . 141 SER C . 11311 1 1706 . 1 1 141 141 SER CA C 13 58.658 0.300 . 1 . . . . 141 SER CA . 11311 1 1707 . 1 1 141 141 SER CB C 13 63.986 0.300 . 1 . . . . 141 SER CB . 11311 1 1708 . 1 1 141 141 SER N N 15 115.955 0.300 . 1 . . . . 141 SER N . 11311 1 1709 . 1 1 142 142 GLY H H 1 8.175 0.030 . 1 . . . . 142 GLY H . 11311 1 1710 . 1 1 142 142 GLY HA2 H 1 4.109 0.030 . 2 . . . . 142 GLY HA2 . 11311 1 1711 . 1 1 142 142 GLY HA3 H 1 4.031 0.030 . 2 . . . . 142 GLY HA3 . 11311 1 1712 . 1 1 142 142 GLY C C 13 171.718 0.300 . 1 . . . . 142 GLY C . 11311 1 1713 . 1 1 142 142 GLY CA C 13 44.739 0.300 . 1 . . . . 142 GLY CA . 11311 1 1714 . 1 1 142 142 GLY N N 15 110.779 0.300 . 1 . . . . 142 GLY N . 11311 1 1715 . 1 1 143 143 PRO HA H 1 4.456 0.030 . 1 . . . . 143 PRO HA . 11311 1 1716 . 1 1 143 143 PRO HB2 H 1 2.265 0.030 . 2 . . . . 143 PRO HB2 . 11311 1 1717 . 1 1 143 143 PRO HB3 H 1 1.950 0.030 . 2 . . . . 143 PRO HB3 . 11311 1 1718 . 1 1 143 143 PRO HD2 H 1 3.588 0.030 . 1 . . . . 143 PRO HD2 . 11311 1 1719 . 1 1 143 143 PRO HD3 H 1 3.588 0.030 . 1 . . . . 143 PRO HD3 . 11311 1 1720 . 1 1 143 143 PRO HG2 H 1 1.976 0.030 . 1 . . . . 143 PRO HG2 . 11311 1 1721 . 1 1 143 143 PRO HG3 H 1 1.976 0.030 . 1 . . . . 143 PRO HG3 . 11311 1 1722 . 1 1 143 143 PRO C C 13 177.411 0.300 . 1 . . . . 143 PRO C . 11311 1 1723 . 1 1 143 143 PRO CA C 13 63.115 0.300 . 1 . . . . 143 PRO CA . 11311 1 1724 . 1 1 143 143 PRO CB C 13 32.213 0.300 . 1 . . . . 143 PRO CB . 11311 1 1725 . 1 1 143 143 PRO CD C 13 49.773 0.300 . 1 . . . . 143 PRO CD . 11311 1 1726 . 1 1 143 143 PRO CG C 13 26.966 0.300 . 1 . . . . 143 PRO CG . 11311 1 1727 . 1 1 144 144 SER H H 1 8.545 0.030 . 1 . . . . 144 SER H . 11311 1 1728 . 1 1 144 144 SER HA H 1 4.460 0.030 . 1 . . . . 144 SER HA . 11311 1 1729 . 1 1 144 144 SER HB2 H 1 3.884 0.030 . 2 . . . . 144 SER HB2 . 11311 1 1730 . 1 1 144 144 SER C C 13 174.779 0.300 . 1 . . . . 144 SER C . 11311 1 1731 . 1 1 144 144 SER CA C 13 58.411 0.300 . 1 . . . . 144 SER CA . 11311 1 1732 . 1 1 144 144 SER CB C 13 63.731 0.300 . 1 . . . . 144 SER CB . 11311 1 1733 . 1 1 144 144 SER N N 15 116.510 0.300 . 1 . . . . 144 SER N . 11311 1 1734 . 1 1 145 145 SER H H 1 8.364 0.030 . 1 . . . . 145 SER H . 11311 1 1735 . 1 1 145 145 SER C C 13 173.977 0.300 . 1 . . . . 145 SER C . 11311 1 1736 . 1 1 145 145 SER CA C 13 58.411 0.300 . 1 . . . . 145 SER CA . 11311 1 1737 . 1 1 145 145 SER CB C 13 63.895 0.300 . 1 . . . . 145 SER CB . 11311 1 1738 . 1 1 145 145 SER N N 15 118.014 0.300 . 1 . . . . 145 SER N . 11311 1 stop_ save_