data_30139 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30139 _Entry.Title ; Solution structure of the catalytic domain of zoocin A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-15 _Entry.Accession_date 2016-07-15 _Entry.Last_release_date 2016-10-24 _Entry.Original_release_date 2016-10-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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.ORCID _Entry_author.Entry_ID 1 R. Timkovich R. . . . 30139 2 M. Xing M. . . . 30139 3 R. Simmonds R. S. . . 30139 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID anti-microbial . 30139 endopeptidase . 30139 exoenzyme . 30139 hydrolase . 30139 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30139 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 575 30139 '15N chemical shifts' 160 30139 '1H chemical shifts' 896 30139 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 2 . . 2017-02-23 2016-07-15 update BMRB 'update entry citation' 30139 1 . . 2016-10-24 2016-07-15 original author 'original release' 30139 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5KVP 'BMRB Entry Tracking System' 30139 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30139 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/prot.25178 _Citation.PubMed_ID 27699884 _Citation.Full_citation . _Citation.Title ; Solution Structure of the Cys74 to Ala74 Mutant of the Recombinant Catalytic Domain of Zoocin A. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 85 _Citation.Journal_issue 1 _Citation.Journal_ASTM PSFGEY _Citation.Journal_ISSN 1097-0134 _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 177 _Citation.Page_last 181 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Xing M. . . . 30139 1 2 R. Simmonds R. S. . . 30139 1 3 R. Timkovich R. . . . 30139 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30139 _Assembly.ID 1 _Assembly.Name 'Zoocin A endopeptidase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A 1 yes . . . . . . 30139 1 2 'ZINC ION' 2 $entity_ZN B 1 no . . . . . . 30139 1 3 'Unknown ligand' 3 $entity_UNL C 1 no . . . . . . 30139 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30139 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 1 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGSATYTRPLD TGNITTGFNGYPGHVGVDYA VPVGTPVRAVANGTVKFAGN GANHPWMLWMAGNAVLIQHA DGMHTGYAHLSKISVSTDST VKQGQIIGYTGATGQVTGPH LHFEMLPANPNWQNGFSGRI DPTGYIANAPVFNGTTPTE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation C85A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16853.678 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . MET . 30139 1 2 . ARG . 30139 1 3 . GLY . 30139 1 4 . SER . 30139 1 5 . HIS . 30139 1 6 . HIS . 30139 1 7 . HIS . 30139 1 8 . HIS . 30139 1 9 . HIS . 30139 1 10 . HIS . 30139 1 11 . GLY . 30139 1 12 . SER . 30139 1 13 . ALA . 30139 1 14 . THR . 30139 1 15 . TYR . 30139 1 16 . THR . 30139 1 17 . ARG . 30139 1 18 . PRO . 30139 1 19 . LEU . 30139 1 20 . ASP . 30139 1 21 . THR . 30139 1 22 . GLY . 30139 1 23 . ASN . 30139 1 24 . ILE . 30139 1 25 . THR . 30139 1 26 . THR . 30139 1 27 . GLY . 30139 1 28 . PHE . 30139 1 29 . ASN . 30139 1 30 . GLY . 30139 1 31 . TYR . 30139 1 32 . PRO . 30139 1 33 . GLY . 30139 1 34 . HIS . 30139 1 35 . VAL . 30139 1 36 . GLY . 30139 1 37 . VAL . 30139 1 38 . ASP . 30139 1 39 . TYR . 30139 1 40 . ALA . 30139 1 41 . VAL . 30139 1 42 . PRO . 30139 1 43 . VAL . 30139 1 44 . GLY . 30139 1 45 . THR . 30139 1 46 . PRO . 30139 1 47 . VAL . 30139 1 48 . ARG . 30139 1 49 . ALA . 30139 1 50 . VAL . 30139 1 51 . ALA . 30139 1 52 . ASN . 30139 1 53 . GLY . 30139 1 54 . THR . 30139 1 55 . VAL . 30139 1 56 . LYS . 30139 1 57 . PHE . 30139 1 58 . ALA . 30139 1 59 . GLY . 30139 1 60 . ASN . 30139 1 61 . GLY . 30139 1 62 . ALA . 30139 1 63 . ASN . 30139 1 64 . HIS . 30139 1 65 . PRO . 30139 1 66 . TRP . 30139 1 67 . MET . 30139 1 68 . LEU . 30139 1 69 . TRP . 30139 1 70 . MET . 30139 1 71 . ALA . 30139 1 72 . GLY . 30139 1 73 . ASN . 30139 1 74 . ALA . 30139 1 75 . VAL . 30139 1 76 . LEU . 30139 1 77 . ILE . 30139 1 78 . GLN . 30139 1 79 . HIS . 30139 1 80 . ALA . 30139 1 81 . ASP . 30139 1 82 . GLY . 30139 1 83 . MET . 30139 1 84 . HIS . 30139 1 85 . THR . 30139 1 86 . GLY . 30139 1 87 . TYR . 30139 1 88 . ALA . 30139 1 89 . HIS . 30139 1 90 . LEU . 30139 1 91 . SER . 30139 1 92 . LYS . 30139 1 93 . ILE . 30139 1 94 . SER . 30139 1 95 . VAL . 30139 1 96 . SER . 30139 1 97 . THR . 30139 1 98 . ASP . 30139 1 99 . SER . 30139 1 100 . THR . 30139 1 101 . VAL . 30139 1 102 . LYS . 30139 1 103 . GLN . 30139 1 104 . GLY . 30139 1 105 . GLN . 30139 1 106 . ILE . 30139 1 107 . ILE . 30139 1 108 . GLY . 30139 1 109 . TYR . 30139 1 110 . THR . 30139 1 111 . GLY . 30139 1 112 . ALA . 30139 1 113 . THR . 30139 1 114 . GLY . 30139 1 115 . GLN . 30139 1 116 . VAL . 30139 1 117 . THR . 30139 1 118 . GLY . 30139 1 119 . PRO . 30139 1 120 . HIS . 30139 1 121 . LEU . 30139 1 122 . HIS . 30139 1 123 . PHE . 30139 1 124 . GLU . 30139 1 125 . MET . 30139 1 126 . LEU . 30139 1 127 . PRO . 30139 1 128 . ALA . 30139 1 129 . ASN . 30139 1 130 . PRO . 30139 1 131 . ASN . 30139 1 132 . TRP . 30139 1 133 . GLN . 30139 1 134 . ASN . 30139 1 135 . GLY . 30139 1 136 . PHE . 30139 1 137 . SER . 30139 1 138 . GLY . 30139 1 139 . ARG . 30139 1 140 . ILE . 30139 1 141 . ASP . 30139 1 142 . PRO . 30139 1 143 . THR . 30139 1 144 . GLY . 30139 1 145 . TYR . 30139 1 146 . ILE . 30139 1 147 . ALA . 30139 1 148 . ASN . 30139 1 149 . ALA . 30139 1 150 . PRO . 30139 1 151 . VAL . 30139 1 152 . PHE . 30139 1 153 . ASN . 30139 1 154 . GLY . 30139 1 155 . THR . 30139 1 156 . THR . 30139 1 157 . PRO . 30139 1 158 . THR . 30139 1 159 . GLU . 30139 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 . MET 1 1 30139 1 . ARG 2 2 30139 1 . GLY 3 3 30139 1 . SER 4 4 30139 1 . HIS 5 5 30139 1 . HIS 6 6 30139 1 . HIS 7 7 30139 1 . HIS 8 8 30139 1 . HIS 9 9 30139 1 . HIS 10 10 30139 1 . GLY 11 11 30139 1 . SER 12 12 30139 1 . ALA 13 13 30139 1 . THR 14 14 30139 1 . TYR 15 15 30139 1 . THR 16 16 30139 1 . ARG 17 17 30139 1 . PRO 18 18 30139 1 . LEU 19 19 30139 1 . ASP 20 20 30139 1 . THR 21 21 30139 1 . GLY 22 22 30139 1 . ASN 23 23 30139 1 . ILE 24 24 30139 1 . THR 25 25 30139 1 . THR 26 26 30139 1 . GLY 27 27 30139 1 . PHE 28 28 30139 1 . ASN 29 29 30139 1 . GLY 30 30 30139 1 . TYR 31 31 30139 1 . PRO 32 32 30139 1 . GLY 33 33 30139 1 . HIS 34 34 30139 1 . VAL 35 35 30139 1 . GLY 36 36 30139 1 . VAL 37 37 30139 1 . ASP 38 38 30139 1 . TYR 39 39 30139 1 . ALA 40 40 30139 1 . VAL 41 41 30139 1 . PRO 42 42 30139 1 . VAL 43 43 30139 1 . GLY 44 44 30139 1 . THR 45 45 30139 1 . PRO 46 46 30139 1 . VAL 47 47 30139 1 . ARG 48 48 30139 1 . ALA 49 49 30139 1 . VAL 50 50 30139 1 . ALA 51 51 30139 1 . ASN 52 52 30139 1 . GLY 53 53 30139 1 . THR 54 54 30139 1 . VAL 55 55 30139 1 . LYS 56 56 30139 1 . PHE 57 57 30139 1 . ALA 58 58 30139 1 . GLY 59 59 30139 1 . ASN 60 60 30139 1 . GLY 61 61 30139 1 . ALA 62 62 30139 1 . ASN 63 63 30139 1 . HIS 64 64 30139 1 . PRO 65 65 30139 1 . TRP 66 66 30139 1 . MET 67 67 30139 1 . LEU 68 68 30139 1 . TRP 69 69 30139 1 . MET 70 70 30139 1 . ALA 71 71 30139 1 . GLY 72 72 30139 1 . ASN 73 73 30139 1 . ALA 74 74 30139 1 . VAL 75 75 30139 1 . LEU 76 76 30139 1 . ILE 77 77 30139 1 . GLN 78 78 30139 1 . HIS 79 79 30139 1 . ALA 80 80 30139 1 . ASP 81 81 30139 1 . GLY 82 82 30139 1 . MET 83 83 30139 1 . HIS 84 84 30139 1 . THR 85 85 30139 1 . GLY 86 86 30139 1 . TYR 87 87 30139 1 . ALA 88 88 30139 1 . HIS 89 89 30139 1 . LEU 90 90 30139 1 . SER 91 91 30139 1 . LYS 92 92 30139 1 . ILE 93 93 30139 1 . SER 94 94 30139 1 . VAL 95 95 30139 1 . SER 96 96 30139 1 . THR 97 97 30139 1 . ASP 98 98 30139 1 . SER 99 99 30139 1 . THR 100 100 30139 1 . VAL 101 101 30139 1 . LYS 102 102 30139 1 . GLN 103 103 30139 1 . GLY 104 104 30139 1 . GLN 105 105 30139 1 . ILE 106 106 30139 1 . ILE 107 107 30139 1 . GLY 108 108 30139 1 . TYR 109 109 30139 1 . THR 110 110 30139 1 . GLY 111 111 30139 1 . ALA 112 112 30139 1 . THR 113 113 30139 1 . GLY 114 114 30139 1 . GLN 115 115 30139 1 . VAL 116 116 30139 1 . THR 117 117 30139 1 . GLY 118 118 30139 1 . PRO 119 119 30139 1 . HIS 120 120 30139 1 . LEU 121 121 30139 1 . HIS 122 122 30139 1 . PHE 123 123 30139 1 . GLU 124 124 30139 1 . MET 125 125 30139 1 . LEU 126 126 30139 1 . PRO 127 127 30139 1 . ALA 128 128 30139 1 . ASN 129 129 30139 1 . PRO 130 130 30139 1 . ASN 131 131 30139 1 . TRP 132 132 30139 1 . GLN 133 133 30139 1 . ASN 134 134 30139 1 . GLY 135 135 30139 1 . PHE 136 136 30139 1 . SER 137 137 30139 1 . GLY 138 138 30139 1 . ARG 139 139 30139 1 . ILE 140 140 30139 1 . ASP 141 141 30139 1 . PRO 142 142 30139 1 . THR 143 143 30139 1 . GLY 144 144 30139 1 . TYR 145 145 30139 1 . ILE 146 146 30139 1 . ALA 147 147 30139 1 . ASN 148 148 30139 1 . ALA 149 149 30139 1 . PRO 150 150 30139 1 . VAL 151 151 30139 1 . PHE 152 152 30139 1 . ASN 153 153 30139 1 . GLY 154 154 30139 1 . THR 155 155 30139 1 . THR 156 156 30139 1 . PRO 157 157 30139 1 . THR 158 158 30139 1 . GLU 159 159 30139 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 30139 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 30139 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 30139 2 ZN 'Three letter code' 30139 2 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 1 ZN $chem_comp_ZN 30139 2 stop_ save_ save_entity_UNL _Entity.Sf_category entity _Entity.Sf_framecode entity_UNL _Entity.Entry_ID 30139 _Entity.ID 3 _Entity.BMRB_code UNL _Entity.Name entity_UNL _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID UNL _Entity.Nonpolymer_comp_label $chem_comp_UNL _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 0.000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Unknown ligand' BMRB 30139 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'Unknown ligand' BMRB 30139 3 UNL 'Three letter code' 30139 3 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 1 UNL $chem_comp_UNL 30139 3 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 30139 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 40041 organism . 'Streptococcus equi subsp. zooepidemicus' 'Streptococcus equi' . . Bacteria . Streptococcus equi . . . . . . . . . . . zooA . 30139 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 30139 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30139 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 30139 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 30139 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 30139 ZN [Zn++] SMILES CACTVS 3.341 30139 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 30139 ZN [Zn+2] SMILES ACDLabs 10.04 30139 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 30139 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30139 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 30139 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30139 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30139 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30139 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM potassium phosphate, 0.1 mM sodium azide, 1.1 mM [U-95% 13C; U-90% 15N] Protein, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Protein '[U-95% 13C; U-90% 15N]' . . 1 $entity_1 . . 1.1 . . mM . . . . 30139 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30139 1 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 30139 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30139 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM potassium phosphate, 0.1 mM sodium azide, 0.5 mM [U-95% 13C; U-90% 15N] protein, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30139 2 2 protein '[U-95% 13C; U-90% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30139 2 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 30139 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30139 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM potassium phosphate, 0.1 mM sodium azide, 1.0 mM [U-90% 15N] protein, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30139 3 2 protein '[U-90% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30139 3 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 30139 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30139 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 30139 1 pH 5.6 . pH 30139 1 pressure 1.0 . atm 30139 1 temperature 297 . K 30139 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30139 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 30139 2 pH 5.6 . pH 30139 2 pressure 1 . atm 30139 2 temperature 297 . K 30139 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 30139 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 30139 3 pH 5.6 . pH 30139 3 pressure 1 . atm 30139 3 temperature 297 . K 30139 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30139 _Software.ID 1 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ' . . 30139 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30139 1 'structure solution' 30139 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30139 _Software.ID 2 _Software.Name 'DEEPVIEW/SWISS-PDB VIEWER' _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 30139 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30139 _Software.ID 3 _Software.Name NMRDRAW _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 30139 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30139 _Software.ID 4 _Software.Name NMRPIPE _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 30139 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30139 _Software.ID 5 _Software.Name NMRVIEW _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 30139 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30139 _Software.ID 6 _Software.Name PROCHECKNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 30139 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30139 _Software.ID 7 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 30139 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30139 _Software.ID 8 _Software.Name TOPSPIN _Software.Version 1.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 30139 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30139 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30139 _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 NMR_spectrometer_1 Bruker Avance . 600 . . . 30139 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 30139 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 10 '3D CCC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 11 '3D HCC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 13 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 14 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 15 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 16 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 17 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 18 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 19 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 20 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 21 '3D CCC-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 22 '3D HCC-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 23 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 24 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 25 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 26 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30139 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30139 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 na indirect 0.25144953 . . . . . 30139 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 na direct 1.0 . . . . . 30139 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 na indirect 0.10132912 . . . . . 30139 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30139 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30139 1 2 '3D HNCO' . . . 30139 1 3 '3D HNCA' . . . 30139 1 4 '3D HNCACB' . . . 30139 1 5 '3D HN(CO)CA' . . . 30139 1 6 '3D HCCH-TOCSY' . . . 30139 1 7 '3D HNHA' . . . 30139 1 8 '3D 1H-15N NOESY' . . . 30139 1 9 '3D 1H-13C NOESY' . . . 30139 1 10 '3D CCC-TOCSY' . . . 30139 1 11 '3D HCC-TOCSY' . . . 30139 1 12 '2D 1H-15N HSQC' . . . 30139 1 13 '3D HNCO' . . . 30139 1 14 '3D HNCA' . . . 30139 1 15 '3D HNCACB' . . . 30139 1 16 '3D HN(CO)CA' . . . 30139 1 17 '3D HCCH-TOCSY' . . . 30139 1 18 '3D HNHA' . . . 30139 1 19 '3D 1H-15N NOESY' . . . 30139 1 20 '3D 1H-13C NOESY' . . . 30139 1 21 '3D CCC-TOCSY' . . . 30139 1 22 '3D HCC-TOCSY' . . . 30139 1 23 '2D 1H-15N HSQC' . . . 30139 1 24 '3D 1H-15N NOESY' . . . 30139 1 25 '3D HN(CA)CO' . . . 30139 1 26 '3D HN(CA)CO' . . . 30139 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 2 2 ARG HA H 1 4.37 0.03 . 1 . . . 1 2 ARG HA . 30139 1 2 . 1 1 2 2 ARG HB2 H 1 1.83 0.03 . 2 . . . 1 2 ARG HB2 . 30139 1 3 . 1 1 2 2 ARG HB3 H 1 1.79 0.03 . 2 . . . 1 2 ARG HB3 . 30139 1 4 . 1 1 2 2 ARG HG2 H 1 1.65 0.03 . 2 . . . 1 2 ARG HG2 . 30139 1 5 . 1 1 2 2 ARG HD2 H 1 3.17 0.03 . 2 . . . 1 2 ARG HD2 . 30139 1 6 . 1 1 2 2 ARG C C 13 176.51 0.1 . 1 . . . 1 2 ARG C . 30139 1 7 . 1 1 2 2 ARG CA C 13 56.34 0.5 . 1 . . . 1 2 ARG CA . 30139 1 8 . 1 1 2 2 ARG CB C 13 30.66 0.5 . 1 . . . 1 2 ARG CB . 30139 1 9 . 1 1 2 2 ARG CG C 13 27.38 0.5 . 1 . . . 1 2 ARG CG . 30139 1 10 . 1 1 2 2 ARG CD C 13 43.45 0.5 . 1 . . . 1 2 ARG CD . 30139 1 11 . 1 1 3 3 GLY H H 1 8.65 0.03 . 1 . . . 1 3 GLY H . 30139 1 12 . 1 1 3 3 GLY C C 13 173.99 0.1 . 1 . . . 1 3 GLY C . 30139 1 13 . 1 1 3 3 GLY CA C 13 45.18 0.5 . 1 . . . 1 3 GLY CA . 30139 1 14 . 1 1 3 3 GLY N N 15 111.14 0.1 . 1 . . . 1 3 GLY N . 30139 1 15 . 1 1 10 10 HIS HA H 1 4.61 0.03 . 1 . . . 1 10 HIS HA . 30139 1 16 . 1 1 10 10 HIS HB2 H 1 3.12 0.03 . 2 . . . 1 10 HIS HB2 . 30139 1 17 . 1 1 10 10 HIS HB3 H 1 3.01 0.03 . 2 . . . 1 10 HIS HB3 . 30139 1 18 . 1 1 10 10 HIS C C 13 175.34 0.1 . 1 . . . 1 10 HIS C . 30139 1 19 . 1 1 10 10 HIS CA C 13 56.03 0.5 . 1 . . . 1 10 HIS CA . 30139 1 20 . 1 1 10 10 HIS CB C 13 30.14 0.5 . 1 . . . 1 10 HIS CB . 30139 1 21 . 1 1 11 11 GLY H H 1 8.45 0.03 . 1 . . . 1 11 GLY H . 30139 1 22 . 1 1 11 11 GLY HA2 H 1 3.96 0.03 . 2 . . . 1 11 GLY HA2 . 30139 1 23 . 1 1 11 11 GLY C C 13 173.94 0.1 . 1 . . . 1 11 GLY C . 30139 1 24 . 1 1 11 11 GLY CA C 13 45.22 0.5 . 1 . . . 1 11 GLY CA . 30139 1 25 . 1 1 11 11 GLY N N 15 110.61 0.25 . 1 . . . 1 11 GLY N . 30139 1 26 . 1 1 12 12 SER H H 1 8.27 0.03 . 1 . . . 1 12 SER H . 30139 1 27 . 1 1 12 12 SER HA H 1 4.44 0.03 . 1 . . . 1 12 SER HA . 30139 1 28 . 1 1 12 12 SER HB2 H 1 3.83 0.03 . 2 . . . 1 12 SER HB2 . 30139 1 29 . 1 1 12 12 SER HB3 H 1 3.78 0.03 . 2 . . . 1 12 SER HB3 . 30139 1 30 . 1 1 12 12 SER C C 13 173.93 0.1 . 1 . . . 1 12 SER C . 30139 1 31 . 1 1 12 12 SER CA C 13 58.32 0.5 . 1 . . . 1 12 SER CA . 30139 1 32 . 1 1 12 12 SER CB C 13 64.14 0.5 . 1 . . . 1 12 SER CB . 30139 1 33 . 1 1 12 12 SER N N 15 115.84 0.25 . 1 . . . 1 12 SER N . 30139 1 34 . 1 1 13 13 ALA H H 1 8.45 0.03 . 1 . . . 1 13 ALA H . 30139 1 35 . 1 1 13 13 ALA HA H 1 4.41 0.03 . 1 . . . 1 13 ALA HA . 30139 1 36 . 1 1 13 13 ALA HB1 H 1 1.29 0.03 . 1 . . . 1 13 ALA HB1 . 30139 1 37 . 1 1 13 13 ALA HB2 H 1 1.29 0.03 . 1 . . . 1 13 ALA HB2 . 30139 1 38 . 1 1 13 13 ALA HB3 H 1 1.29 0.03 . 1 . . . 1 13 ALA HB3 . 30139 1 39 . 1 1 13 13 ALA C C 13 177.50 0.1 . 1 . . . 1 13 ALA C . 30139 1 40 . 1 1 13 13 ALA CA C 13 52.03 0.5 . 1 . . . 1 13 ALA CA . 30139 1 41 . 1 1 13 13 ALA CB C 13 19.70 0.5 . 1 . . . 1 13 ALA CB . 30139 1 42 . 1 1 13 13 ALA N N 15 126.10 0.25 . 1 . . . 1 13 ALA N . 30139 1 43 . 1 1 14 14 THR H H 1 8.27 0.03 . 1 . . . 1 14 THR H . 30139 1 44 . 1 1 14 14 THR HA H 1 4.00 0.03 . 1 . . . 1 14 THR HA . 30139 1 45 . 1 1 14 14 THR HB H 1 3.91 0.03 . 1 . . . 1 14 THR HB . 30139 1 46 . 1 1 14 14 THR HG21 H 1 0.87 0.03 . 1 . . . 1 14 THR HG21 . 30139 1 47 . 1 1 14 14 THR HG22 H 1 0.87 0.03 . 1 . . . 1 14 THR HG22 . 30139 1 48 . 1 1 14 14 THR HG23 H 1 0.87 0.03 . 1 . . . 1 14 THR HG23 . 30139 1 49 . 1 1 14 14 THR C C 13 174.05 0.1 . 1 . . . 1 14 THR C . 30139 1 50 . 1 1 14 14 THR CA C 13 63.55 0.5 . 1 . . . 1 14 THR CA . 30139 1 51 . 1 1 14 14 THR CB C 13 69.51 0.5 . 1 . . . 1 14 THR CB . 30139 1 52 . 1 1 14 14 THR CG2 C 13 21.48 0.5 . 1 . . . 1 14 THR CG2 . 30139 1 53 . 1 1 14 14 THR N N 15 116.71 0.25 . 1 . . . 1 14 THR N . 30139 1 54 . 1 1 15 15 TYR H H 1 7.75 0.03 . 1 . . . 1 15 TYR H . 30139 1 55 . 1 1 15 15 TYR HA H 1 5.20 0.03 . 1 . . . 1 15 TYR HA . 30139 1 56 . 1 1 15 15 TYR HB2 H 1 2.80 0.03 . 1 . . . 1 15 TYR HB2 . 30139 1 57 . 1 1 15 15 TYR HB3 H 1 2.89 0.03 . 1 . . . 1 15 TYR HB3 . 30139 1 58 . 1 1 15 15 TYR HD1 H 1 6.87 0.03 . 3 . . . 1 15 TYR HD1 . 30139 1 59 . 1 1 15 15 TYR C C 13 176.18 0.1 . 1 . . . 1 15 TYR C . 30139 1 60 . 1 1 15 15 TYR CA C 13 55.72 0.5 . 1 . . . 1 15 TYR CA . 30139 1 61 . 1 1 15 15 TYR CB C 13 40.30 0.5 . 1 . . . 1 15 TYR CB . 30139 1 62 . 1 1 15 15 TYR N N 15 118.11 0.25 . 1 . . . 1 15 TYR N . 30139 1 63 . 1 1 16 16 THR H H 1 8.52 0.03 . 1 . . . 1 16 THR H . 30139 1 64 . 1 1 16 16 THR HA H 1 4.25 0.03 . 1 . . . 1 16 THR HA . 30139 1 65 . 1 1 16 16 THR HB H 1 3.87 0.03 . 1 . . . 1 16 THR HB . 30139 1 66 . 1 1 16 16 THR HG21 H 1 1.15 0.03 . 1 . . . 1 16 THR HG21 . 30139 1 67 . 1 1 16 16 THR HG22 H 1 1.15 0.03 . 1 . . . 1 16 THR HG22 . 30139 1 68 . 1 1 16 16 THR HG23 H 1 1.15 0.03 . 1 . . . 1 16 THR HG23 . 30139 1 69 . 1 1 16 16 THR C C 13 174.23 0.1 . 1 . . . 1 16 THR C . 30139 1 70 . 1 1 16 16 THR CA C 13 60.14 0.5 . 1 . . . 1 16 THR CA . 30139 1 71 . 1 1 16 16 THR CB C 13 70.17 0.5 . 1 . . . 1 16 THR CB . 30139 1 72 . 1 1 16 16 THR CG2 C 13 21.20 0.5 . 1 . . . 1 16 THR CG2 . 30139 1 73 . 1 1 16 16 THR N N 15 112.24 0.25 . 1 . . . 1 16 THR N . 30139 1 74 . 1 1 17 17 ARG H H 1 8.06 0.03 . 1 . . . 1 17 ARG H . 30139 1 75 . 1 1 17 17 ARG HA H 1 4.48 0.03 . 1 . . . 1 17 ARG HA . 30139 1 76 . 1 1 17 17 ARG HB2 H 1 1.60 0.03 . 2 . . . 1 17 ARG HB2 . 30139 1 77 . 1 1 17 17 ARG HB3 H 1 1.89 0.03 . 2 . . . 1 17 ARG HB3 . 30139 1 78 . 1 1 17 17 ARG HG2 H 1 1.10 0.03 . 2 . . . 1 17 ARG HG2 . 30139 1 79 . 1 1 17 17 ARG HD2 H 1 3.20 0.03 . 2 . . . 1 17 ARG HD2 . 30139 1 80 . 1 1 17 17 ARG HD3 H 1 3.30 0.03 . 2 . . . 1 17 ARG HD3 . 30139 1 81 . 1 1 17 17 ARG HE H 1 7.30 0.03 . 1 . . . 1 17 ARG HE . 30139 1 82 . 1 1 17 17 ARG CA C 13 55.86 0.5 . 1 . . . 1 17 ARG CA . 30139 1 83 . 1 1 17 17 ARG CB C 13 31.64 0.5 . 1 . . . 1 17 ARG CB . 30139 1 84 . 1 1 17 17 ARG CG C 13 29.39 0.5 . 1 . . . 1 17 ARG CG . 30139 1 85 . 1 1 17 17 ARG CD C 13 44.28 0.5 . 1 . . . 1 17 ARG CD . 30139 1 86 . 1 1 17 17 ARG N N 15 116.83 0.25 . 1 . . . 1 17 ARG N . 30139 1 87 . 1 1 17 17 ARG NE N 15 84.80 0.25 . 1 . . . 1 17 ARG NE . 30139 1 88 . 1 1 18 18 PRO HA H 1 4.14 0.03 . 1 . . . 1 18 PRO HA . 30139 1 89 . 1 1 18 18 PRO HB2 H 1 0.63 0.03 . 1 . . . 1 18 PRO HB2 . 30139 1 90 . 1 1 18 18 PRO HB3 H 1 1.93 0.03 . 1 . . . 1 18 PRO HB3 . 30139 1 91 . 1 1 18 18 PRO HG2 H 1 1.54 0.03 . 2 . . . 1 18 PRO HG2 . 30139 1 92 . 1 1 18 18 PRO HD2 H 1 3.40 0.03 . 2 . . . 1 18 PRO HD2 . 30139 1 93 . 1 1 18 18 PRO HD3 H 1 3.15 0.03 . 2 . . . 1 18 PRO HD3 . 30139 1 94 . 1 1 18 18 PRO C C 13 173.90 0.1 . 1 . . . 1 18 PRO C . 30139 1 95 . 1 1 18 18 PRO CA C 13 63.82 0.5 . 1 . . . 1 18 PRO CA . 30139 1 96 . 1 1 18 18 PRO CB C 13 31.61 0.5 . 1 . . . 1 18 PRO CB . 30139 1 97 . 1 1 18 18 PRO CG C 13 27.16 0.5 . 1 . . . 1 18 PRO CG . 30139 1 98 . 1 1 18 18 PRO CD C 13 50.40 0.5 . 1 . . . 1 18 PRO CD . 30139 1 99 . 1 1 19 19 LEU H H 1 6.24 0.03 . 1 . . . 1 19 LEU H . 30139 1 100 . 1 1 19 19 LEU HA H 1 4.72 0.03 . 1 . . . 1 19 LEU HA . 30139 1 101 . 1 1 19 19 LEU HB2 H 1 1.11 0.03 . 1 . . . 1 19 LEU HB2 . 30139 1 102 . 1 1 19 19 LEU HB3 H 1 1.61 0.03 . 1 . . . 1 19 LEU HB3 . 30139 1 103 . 1 1 19 19 LEU HG H 1 0.48 0.03 . 1 . . . 1 19 LEU HG . 30139 1 104 . 1 1 19 19 LEU HD11 H 1 1.02 0.03 . 1 . . . 1 19 LEU HD11 . 30139 1 105 . 1 1 19 19 LEU HD12 H 1 1.02 0.03 . 1 . . . 1 19 LEU HD12 . 30139 1 106 . 1 1 19 19 LEU HD13 H 1 1.02 0.03 . 1 . . . 1 19 LEU HD13 . 30139 1 107 . 1 1 19 19 LEU HD21 H 1 0.92 0.03 . 1 . . . 1 19 LEU HD21 . 30139 1 108 . 1 1 19 19 LEU HD22 H 1 0.92 0.03 . 1 . . . 1 19 LEU HD22 . 30139 1 109 . 1 1 19 19 LEU HD23 H 1 0.92 0.03 . 1 . . . 1 19 LEU HD23 . 30139 1 110 . 1 1 19 19 LEU C C 13 177.25 0.1 . 1 . . . 1 19 LEU C . 30139 1 111 . 1 1 19 19 LEU CA C 13 52.20 0.5 . 1 . . . 1 19 LEU CA . 30139 1 112 . 1 1 19 19 LEU CB C 13 46.82 0.5 . 1 . . . 1 19 LEU CB . 30139 1 113 . 1 1 19 19 LEU CG C 13 28.17 0.5 . 1 . . . 1 19 LEU CG . 30139 1 114 . 1 1 19 19 LEU CD1 C 13 26.40 0.5 . 1 . . . 1 19 LEU CD1 . 30139 1 115 . 1 1 19 19 LEU CD2 C 13 25.70 0.5 . 1 . . . 1 19 LEU CD2 . 30139 1 116 . 1 1 19 19 LEU N N 15 112.81 0.25 . 1 . . . 1 19 LEU N . 30139 1 117 . 1 1 20 20 ASP H H 1 9.35 0.03 . 1 . . . 1 20 ASP H . 30139 1 118 . 1 1 20 20 ASP HA H 1 4.49 0.03 . 1 . . . 1 20 ASP HA . 30139 1 119 . 1 1 20 20 ASP HB2 H 1 2.67 0.03 . 1 . . . 1 20 ASP HB2 . 30139 1 120 . 1 1 20 20 ASP HB3 H 1 2.86 0.03 . 1 . . . 1 20 ASP HB3 . 30139 1 121 . 1 1 20 20 ASP C C 13 175.71 0.1 . 1 . . . 1 20 ASP C . 30139 1 122 . 1 1 20 20 ASP CA C 13 56.33 0.5 . 1 . . . 1 20 ASP CA . 30139 1 123 . 1 1 20 20 ASP CB C 13 40.06 0.5 . 1 . . . 1 20 ASP CB . 30139 1 124 . 1 1 20 20 ASP N N 15 122.95 0.25 . 1 . . . 1 20 ASP N . 30139 1 125 . 1 1 21 21 THR H H 1 7.53 0.03 . 1 . . . 1 21 THR H . 30139 1 126 . 1 1 21 21 THR HA H 1 4.51 0.03 . 1 . . . 1 21 THR HA . 30139 1 127 . 1 1 21 21 THR HB H 1 4.16 0.03 . 1 . . . 1 21 THR HB . 30139 1 128 . 1 1 21 21 THR HG21 H 1 1.10 0.03 . 1 . . . 1 21 THR HG21 . 30139 1 129 . 1 1 21 21 THR HG22 H 1 1.10 0.03 . 1 . . . 1 21 THR HG22 . 30139 1 130 . 1 1 21 21 THR HG23 H 1 1.10 0.03 . 1 . . . 1 21 THR HG23 . 30139 1 131 . 1 1 21 21 THR C C 13 173.07 0.1 . 1 . . . 1 21 THR C . 30139 1 132 . 1 1 21 21 THR CA C 13 59.81 0.5 . 1 . . . 1 21 THR CA . 30139 1 133 . 1 1 21 21 THR CB C 13 70.85 0.5 . 1 . . . 1 21 THR CB . 30139 1 134 . 1 1 21 21 THR CG2 C 13 24.00 0.5 . 1 . . . 1 21 THR CG2 . 30139 1 135 . 1 1 21 21 THR N N 15 109.76 0.25 . 1 . . . 1 21 THR N . 30139 1 136 . 1 1 22 22 GLY H H 1 8.01 0.03 . 1 . . . 1 22 GLY H . 30139 1 137 . 1 1 22 22 GLY HA2 H 1 4.26 0.03 . 2 . . . 1 22 GLY HA2 . 30139 1 138 . 1 1 22 22 GLY HA3 H 1 3.86 0.03 . 2 . . . 1 22 GLY HA3 . 30139 1 139 . 1 1 22 22 GLY C C 13 173.28 0.1 . 1 . . . 1 22 GLY C . 30139 1 140 . 1 1 22 22 GLY CA C 13 44.30 0.5 . 1 . . . 1 22 GLY CA . 30139 1 141 . 1 1 22 22 GLY N N 15 107.10 0.25 . 1 . . . 1 22 GLY N . 30139 1 142 . 1 1 23 23 ASN H H 1 8.61 0.03 . 1 . . . 1 23 ASN H . 30139 1 143 . 1 1 23 23 ASN HA H 1 5.06 0.03 . 1 . . . 1 23 ASN HA . 30139 1 144 . 1 1 23 23 ASN HB2 H 1 2.77 0.03 . 2 . . . 1 23 ASN HB2 . 30139 1 145 . 1 1 23 23 ASN HB3 H 1 2.60 0.03 . 2 . . . 1 23 ASN HB3 . 30139 1 146 . 1 1 23 23 ASN HD21 H 1 7.61 0.03 . 1 . . . 1 23 ASN HD21 . 30139 1 147 . 1 1 23 23 ASN HD22 H 1 7.05 0.03 . 1 . . . 1 23 ASN HD22 . 30139 1 148 . 1 1 23 23 ASN C C 13 174.11 0.1 . 1 . . . 1 23 ASN C . 30139 1 149 . 1 1 23 23 ASN CA C 13 51.64 0.5 . 1 . . . 1 23 ASN CA . 30139 1 150 . 1 1 23 23 ASN CB C 13 41.92 0.5 . 1 . . . 1 23 ASN CB . 30139 1 151 . 1 1 23 23 ASN CG C 13 177.08 0.1 . 1 . . . 1 23 ASN CG . 30139 1 152 . 1 1 23 23 ASN N N 15 119.50 0.25 . 1 . . . 1 23 ASN N . 30139 1 153 . 1 1 23 23 ASN ND2 N 15 113.70 0.25 . 1 . . . 1 23 ASN ND2 . 30139 1 154 . 1 1 24 24 ILE H H 1 8.44 0.03 . 1 . . . 1 24 ILE H . 30139 1 155 . 1 1 24 24 ILE HA H 1 3.60 0.03 . 1 . . . 1 24 ILE HA . 30139 1 156 . 1 1 24 24 ILE HB H 1 1.45 0.03 . 1 . . . 1 24 ILE HB . 30139 1 157 . 1 1 24 24 ILE HG12 H 1 -0.28 0.03 . 1 . . . 1 24 ILE HG12 . 30139 1 158 . 1 1 24 24 ILE HG13 H 1 -0.13 0.03 . 1 . . . 1 24 ILE HG13 . 30139 1 159 . 1 1 24 24 ILE HG21 H 1 0.75 0.03 . 1 . . . 1 24 ILE HG21 . 30139 1 160 . 1 1 24 24 ILE HG22 H 1 0.75 0.03 . 1 . . . 1 24 ILE HG22 . 30139 1 161 . 1 1 24 24 ILE HG23 H 1 0.75 0.03 . 1 . . . 1 24 ILE HG23 . 30139 1 162 . 1 1 24 24 ILE HD11 H 1 0.80 0.03 . 1 . . . 1 24 ILE HD11 . 30139 1 163 . 1 1 24 24 ILE HD12 H 1 0.80 0.03 . 1 . . . 1 24 ILE HD12 . 30139 1 164 . 1 1 24 24 ILE HD13 H 1 0.80 0.03 . 1 . . . 1 24 ILE HD13 . 30139 1 165 . 1 1 24 24 ILE C C 13 177.38 0.1 . 1 . . . 1 24 ILE C . 30139 1 166 . 1 1 24 24 ILE CA C 13 62.96 0.5 . 1 . . . 1 24 ILE CA . 30139 1 167 . 1 1 24 24 ILE CB C 13 37.77 0.5 . 1 . . . 1 24 ILE CB . 30139 1 168 . 1 1 24 24 ILE CG1 C 13 28.85 0.5 . 1 . . . 1 24 ILE CG1 . 30139 1 169 . 1 1 24 24 ILE CG2 C 13 17.00 0.5 . 1 . . . 1 24 ILE CG2 . 30139 1 170 . 1 1 24 24 ILE CD1 C 13 13.30 0.5 . 1 . . . 1 24 ILE CD1 . 30139 1 171 . 1 1 24 24 ILE N N 15 120.62 0.25 . 1 . . . 1 24 ILE N . 30139 1 172 . 1 1 25 25 THR H H 1 9.19 0.03 . 1 . . . 1 25 THR H . 30139 1 173 . 1 1 25 25 THR HA H 1 4.41 0.03 . 1 . . . 1 25 THR HA . 30139 1 174 . 1 1 25 25 THR HB H 1 3.65 0.03 . 1 . . . 1 25 THR HB . 30139 1 175 . 1 1 25 25 THR HG21 H 1 0.70 0.03 . 1 . . . 1 25 THR HG21 . 30139 1 176 . 1 1 25 25 THR HG22 H 1 0.70 0.03 . 1 . . . 1 25 THR HG22 . 30139 1 177 . 1 1 25 25 THR HG23 H 1 0.70 0.03 . 1 . . . 1 25 THR HG23 . 30139 1 178 . 1 1 25 25 THR C C 13 176.32 0.1 . 1 . . . 1 25 THR C . 30139 1 179 . 1 1 25 25 THR CA C 13 62.48 0.5 . 1 . . . 1 25 THR CA . 30139 1 180 . 1 1 25 25 THR CB C 13 69.20 0.5 . 1 . . . 1 25 THR CB . 30139 1 181 . 1 1 25 25 THR CG2 C 13 16.60 0.5 . 1 . . . 1 25 THR CG2 . 30139 1 182 . 1 1 25 25 THR N N 15 121.81 0.25 . 1 . . . 1 25 THR N . 30139 1 183 . 1 1 26 26 THR H H 1 7.31 0.03 . 1 . . . 1 26 THR H . 30139 1 184 . 1 1 26 26 THR HA H 1 4.44 0.03 . 1 . . . 1 26 THR HA . 30139 1 185 . 1 1 26 26 THR HB H 1 4.05 0.03 . 1 . . . 1 26 THR HB . 30139 1 186 . 1 1 26 26 THR HG21 H 1 1.25 0.03 . 1 . . . 1 26 THR HG21 . 30139 1 187 . 1 1 26 26 THR HG22 H 1 1.25 0.03 . 1 . . . 1 26 THR HG22 . 30139 1 188 . 1 1 26 26 THR HG23 H 1 1.25 0.03 . 1 . . . 1 26 THR HG23 . 30139 1 189 . 1 1 26 26 THR C C 13 174.39 0.1 . 1 . . . 1 26 THR C . 30139 1 190 . 1 1 26 26 THR CA C 13 63.29 0.5 . 1 . . . 1 26 THR CA . 30139 1 191 . 1 1 26 26 THR CB C 13 70.80 0.5 . 1 . . . 1 26 THR CB . 30139 1 192 . 1 1 26 26 THR CG2 C 13 20.33 0.5 . 1 . . . 1 26 THR CG2 . 30139 1 193 . 1 1 26 26 THR N N 15 117.50 0.25 . 1 . . . 1 26 THR N . 30139 1 194 . 1 1 27 27 GLY H H 1 9.31 0.03 . 1 . . . 1 27 GLY H . 30139 1 195 . 1 1 27 27 GLY HA2 H 1 4.29 0.03 . 2 . . . 1 27 GLY HA2 . 30139 1 196 . 1 1 27 27 GLY HA3 H 1 3.93 0.03 . 2 . . . 1 27 GLY HA3 . 30139 1 197 . 1 1 27 27 GLY C C 13 174.91 0.1 . 1 . . . 1 27 GLY C . 30139 1 198 . 1 1 27 27 GLY CA C 13 44.06 0.5 . 1 . . . 1 27 GLY CA . 30139 1 199 . 1 1 27 27 GLY N N 15 114.97 0.25 . 1 . . . 1 27 GLY N . 30139 1 200 . 1 1 28 28 PHE H H 1 9.39 0.03 . 1 . . . 1 28 PHE H . 30139 1 201 . 1 1 28 28 PHE HA H 1 4.52 0.03 . 1 . . . 1 28 PHE HA . 30139 1 202 . 1 1 28 28 PHE HB2 H 1 2.62 0.03 . 2 . . . 1 28 PHE HB2 . 30139 1 203 . 1 1 28 28 PHE HB3 H 1 2.50 0.03 . 2 . . . 1 28 PHE HB3 . 30139 1 204 . 1 1 28 28 PHE HD1 H 1 6.69 0.03 . 3 . . . 1 28 PHE HD1 . 30139 1 205 . 1 1 28 28 PHE HE1 H 1 6.41 0.03 . 3 . . . 1 28 PHE HE1 . 30139 1 206 . 1 1 28 28 PHE C C 13 178.33 0.1 . 1 . . . 1 28 PHE C . 30139 1 207 . 1 1 28 28 PHE CA C 13 59.52 0.5 . 1 . . . 1 28 PHE CA . 30139 1 208 . 1 1 28 28 PHE CB C 13 39.66 0.5 . 1 . . . 1 28 PHE CB . 30139 1 209 . 1 1 28 28 PHE N N 15 130.09 0.25 . 1 . . . 1 28 PHE N . 30139 1 210 . 1 1 29 29 ASN H H 1 8.87 0.03 . 1 . . . 1 29 ASN H . 30139 1 211 . 1 1 29 29 ASN HA H 1 4.50 0.03 . 1 . . . 1 29 ASN HA . 30139 1 212 . 1 1 29 29 ASN HB2 H 1 1.92 0.03 . 1 . . . 1 29 ASN HB2 . 30139 1 213 . 1 1 29 29 ASN HB3 H 1 3.32 0.03 . 1 . . . 1 29 ASN HB3 . 30139 1 214 . 1 1 29 29 ASN HD21 H 1 7.78 0.03 . 1 . . . 1 29 ASN HD21 . 30139 1 215 . 1 1 29 29 ASN HD22 H 1 6.80 0.03 . 1 . . . 1 29 ASN HD22 . 30139 1 216 . 1 1 29 29 ASN C C 13 176.65 0.1 . 1 . . . 1 29 ASN C . 30139 1 217 . 1 1 29 29 ASN CA C 13 54.57 0.5 . 1 . . . 1 29 ASN CA . 30139 1 218 . 1 1 29 29 ASN CB C 13 39.31 0.5 . 1 . . . 1 29 ASN CB . 30139 1 219 . 1 1 29 29 ASN CG C 13 177.01 0.1 . 1 . . . 1 29 ASN CG . 30139 1 220 . 1 1 29 29 ASN N N 15 126.62 0.25 . 1 . . . 1 29 ASN N . 30139 1 221 . 1 1 29 29 ASN ND2 N 15 109.80 0.25 . 1 . . . 1 29 ASN ND2 . 30139 1 222 . 1 1 30 30 GLY H H 1 8.28 0.03 . 1 . . . 1 30 GLY H . 30139 1 223 . 1 1 30 30 GLY HA2 H 1 3.70 0.03 . 2 . . . 1 30 GLY HA2 . 30139 1 224 . 1 1 30 30 GLY HA3 H 1 3.48 0.03 . 2 . . . 1 30 GLY HA3 . 30139 1 225 . 1 1 30 30 GLY C C 13 176.32 0.1 . 1 . . . 1 30 GLY C . 30139 1 226 . 1 1 30 30 GLY CA C 13 46.85 0.5 . 1 . . . 1 30 GLY CA . 30139 1 227 . 1 1 30 30 GLY N N 15 105.73 0.25 . 1 . . . 1 30 GLY N . 30139 1 228 . 1 1 31 31 TYR H H 1 7.20 0.03 . 1 . . . 1 31 TYR H . 30139 1 229 . 1 1 31 31 TYR HA H 1 4.89 0.03 . 1 . . . 1 31 TYR HA . 30139 1 230 . 1 1 31 31 TYR HB2 H 1 3.17 0.03 . 2 . . . 1 31 TYR HB2 . 30139 1 231 . 1 1 31 31 TYR HB3 H 1 2.81 0.03 . 2 . . . 1 31 TYR HB3 . 30139 1 232 . 1 1 31 31 TYR HD1 H 1 6.54 0.03 . 3 . . . 1 31 TYR HD1 . 30139 1 233 . 1 1 31 31 TYR C C 13 172.92 0.1 . 1 . . . 1 31 TYR C . 30139 1 234 . 1 1 31 31 TYR CA C 13 55.14 0.5 . 1 . . . 1 31 TYR CA . 30139 1 235 . 1 1 31 31 TYR CB C 13 37.86 0.5 . 1 . . . 1 31 TYR CB . 30139 1 236 . 1 1 31 31 TYR N N 15 113.90 0.25 . 1 . . . 1 31 TYR N . 30139 1 237 . 1 1 32 32 PRO HA H 1 4.54 0.03 . 1 . . . 1 32 PRO HA . 30139 1 238 . 1 1 32 32 PRO HB2 H 1 2.23 0.03 . 2 . . . 1 32 PRO HB2 . 30139 1 239 . 1 1 32 32 PRO HB3 H 1 2.02 0.03 . 2 . . . 1 32 PRO HB3 . 30139 1 240 . 1 1 32 32 PRO HG2 H 1 1.98 0.03 . 2 . . . 1 32 PRO HG2 . 30139 1 241 . 1 1 32 32 PRO HD2 H 1 3.72 0.03 . 2 . . . 1 32 PRO HD2 . 30139 1 242 . 1 1 32 32 PRO C C 13 177.44 0.1 . 1 . . . 1 32 PRO C . 30139 1 243 . 1 1 32 32 PRO CA C 13 64.39 0.5 . 1 . . . 1 32 PRO CA . 30139 1 244 . 1 1 32 32 PRO CB C 13 31.67 0.5 . 1 . . . 1 32 PRO CB . 30139 1 245 . 1 1 32 32 PRO CG C 13 27.80 0.5 . 1 . . . 1 32 PRO CG . 30139 1 246 . 1 1 32 32 PRO CD C 13 50.50 0.5 . 1 . . . 1 32 PRO CD . 30139 1 247 . 1 1 33 33 GLY H H 1 8.87 0.03 . 1 . . . 1 33 GLY H . 30139 1 248 . 1 1 33 33 GLY HA2 H 1 4.19 0.03 . 2 . . . 1 33 GLY HA2 . 30139 1 249 . 1 1 33 33 GLY HA3 H 1 3.42 0.03 . 2 . . . 1 33 GLY HA3 . 30139 1 250 . 1 1 33 33 GLY C C 13 174.90 0.1 . 1 . . . 1 33 GLY C . 30139 1 251 . 1 1 33 33 GLY CA C 13 45.03 0.5 . 1 . . . 1 33 GLY CA . 30139 1 252 . 1 1 33 33 GLY N N 15 113.07 0.25 . 1 . . . 1 33 GLY N . 30139 1 253 . 1 1 34 34 HIS H H 1 8.03 0.03 . 1 . . . 1 34 HIS H . 30139 1 254 . 1 1 34 34 HIS HA H 1 4.49 0.03 . 1 . . . 1 34 HIS HA . 30139 1 255 . 1 1 34 34 HIS HB2 H 1 3.65 0.03 . 2 . . . 1 34 HIS HB2 . 30139 1 256 . 1 1 34 34 HIS HB3 H 1 3.24 0.03 . 2 . . . 1 34 HIS HB3 . 30139 1 257 . 1 1 34 34 HIS HD2 H 1 7.19 0.03 . 1 . . . 1 34 HIS HD2 . 30139 1 258 . 1 1 34 34 HIS HE1 H 1 7.35 0.03 . 1 . . . 1 34 HIS HE1 . 30139 1 259 . 1 1 34 34 HIS C C 13 177.64 0.1 . 1 . . . 1 34 HIS C . 30139 1 260 . 1 1 34 34 HIS CA C 13 56.56 0.5 . 1 . . . 1 34 HIS CA . 30139 1 261 . 1 1 34 34 HIS CB C 13 27.88 0.5 . 1 . . . 1 34 HIS CB . 30139 1 262 . 1 1 34 34 HIS N N 15 118.59 0.25 . 1 . . . 1 34 HIS N . 30139 1 263 . 1 1 35 35 VAL H H 1 8.29 0.03 . 1 . . . 1 35 VAL H . 30139 1 264 . 1 1 35 35 VAL HA H 1 4.06 0.03 . 1 . . . 1 35 VAL HA . 30139 1 265 . 1 1 35 35 VAL HB H 1 2.44 0.03 . 1 . . . 1 35 VAL HB . 30139 1 266 . 1 1 35 35 VAL HG11 H 1 0.70 0.03 . 1 . . . 1 35 VAL HG11 . 30139 1 267 . 1 1 35 35 VAL HG12 H 1 0.70 0.03 . 1 . . . 1 35 VAL HG12 . 30139 1 268 . 1 1 35 35 VAL HG13 H 1 0.70 0.03 . 1 . . . 1 35 VAL HG13 . 30139 1 269 . 1 1 35 35 VAL HG21 H 1 1.10 0.03 . 1 . . . 1 35 VAL HG21 . 30139 1 270 . 1 1 35 35 VAL HG22 H 1 1.10 0.03 . 1 . . . 1 35 VAL HG22 . 30139 1 271 . 1 1 35 35 VAL HG23 H 1 1.10 0.03 . 1 . . . 1 35 VAL HG23 . 30139 1 272 . 1 1 35 35 VAL C C 13 175.34 0.1 . 1 . . . 1 35 VAL C . 30139 1 273 . 1 1 35 35 VAL CA C 13 62.78 0.5 . 1 . . . 1 35 VAL CA . 30139 1 274 . 1 1 35 35 VAL CB C 13 32.62 0.5 . 1 . . . 1 35 VAL CB . 30139 1 275 . 1 1 35 35 VAL CG1 C 13 18.80 0.5 . 1 . . . 1 35 VAL CG1 . 30139 1 276 . 1 1 35 35 VAL CG2 C 13 22.27 0.5 . 1 . . . 1 35 VAL CG2 . 30139 1 277 . 1 1 35 35 VAL N N 15 121.38 0.25 . 1 . . . 1 35 VAL N . 30139 1 278 . 1 1 36 36 GLY H H 1 5.60 0.03 . 1 . . . 1 36 GLY H . 30139 1 279 . 1 1 36 36 GLY HA2 H 1 4.39 0.03 . 2 . . . 1 36 GLY HA2 . 30139 1 280 . 1 1 36 36 GLY HA3 H 1 3.44 0.03 . 2 . . . 1 36 GLY HA3 . 30139 1 281 . 1 1 36 36 GLY C C 13 169.64 0.1 . 1 . . . 1 36 GLY C . 30139 1 282 . 1 1 36 36 GLY CA C 13 45.00 0.5 . 1 . . . 1 36 GLY CA . 30139 1 283 . 1 1 36 36 GLY N N 15 106.73 0.25 . 1 . . . 1 36 GLY N . 30139 1 284 . 1 1 37 37 VAL H H 1 8.98 0.03 . 1 . . . 1 37 VAL H . 30139 1 285 . 1 1 37 37 VAL HA H 1 4.90 0.03 . 1 . . . 1 37 VAL HA . 30139 1 286 . 1 1 37 37 VAL HB H 1 2.03 0.03 . 1 . . . 1 37 VAL HB . 30139 1 287 . 1 1 37 37 VAL HG11 H 1 0.97 0.03 . 1 . . . 1 37 VAL HG11 . 30139 1 288 . 1 1 37 37 VAL HG12 H 1 0.97 0.03 . 1 . . . 1 37 VAL HG12 . 30139 1 289 . 1 1 37 37 VAL HG13 H 1 0.97 0.03 . 1 . . . 1 37 VAL HG13 . 30139 1 290 . 1 1 37 37 VAL HG21 H 1 0.73 0.03 . 1 . . . 1 37 VAL HG21 . 30139 1 291 . 1 1 37 37 VAL HG22 H 1 0.73 0.03 . 1 . . . 1 37 VAL HG22 . 30139 1 292 . 1 1 37 37 VAL HG23 H 1 0.73 0.03 . 1 . . . 1 37 VAL HG23 . 30139 1 293 . 1 1 37 37 VAL C C 13 173.48 0.1 . 1 . . . 1 37 VAL C . 30139 1 294 . 1 1 37 37 VAL CA C 13 58.86 0.5 . 1 . . . 1 37 VAL CA . 30139 1 295 . 1 1 37 37 VAL CB C 13 34.44 0.5 . 1 . . . 1 37 VAL CB . 30139 1 296 . 1 1 37 37 VAL CG1 C 13 22.97 0.5 . 1 . . . 1 37 VAL CG1 . 30139 1 297 . 1 1 37 37 VAL CG2 C 13 19.03 0.5 . 1 . . . 1 37 VAL CG2 . 30139 1 298 . 1 1 37 37 VAL N N 15 110.92 0.25 . 1 . . . 1 37 VAL N . 30139 1 299 . 1 1 38 38 ASP H H 1 9.00 0.03 . 1 . . . 1 38 ASP H . 30139 1 300 . 1 1 38 38 ASP HA H 1 6.67 0.03 . 1 . . . 1 38 ASP HA . 30139 1 301 . 1 1 38 38 ASP HB2 H 1 2.52 0.03 . 2 . . . 1 38 ASP HB2 . 30139 1 302 . 1 1 38 38 ASP HB3 H 1 2.72 0.03 . 2 . . . 1 38 ASP HB3 . 30139 1 303 . 1 1 38 38 ASP C C 13 175.17 0.1 . 1 . . . 1 38 ASP C . 30139 1 304 . 1 1 38 38 ASP CA C 13 51.57 0.5 . 1 . . . 1 38 ASP CA . 30139 1 305 . 1 1 38 38 ASP CB C 13 44.05 0.5 . 1 . . . 1 38 ASP CB . 30139 1 306 . 1 1 38 38 ASP N N 15 119.67 0.25 . 1 . . . 1 38 ASP N . 30139 1 307 . 1 1 39 39 TYR H H 1 9.09 0.03 . 1 . . . 1 39 TYR H . 30139 1 308 . 1 1 39 39 TYR HA H 1 5.24 0.03 . 1 . . . 1 39 TYR HA . 30139 1 309 . 1 1 39 39 TYR HB2 H 1 2.59 0.03 . 2 . . . 1 39 TYR HB2 . 30139 1 310 . 1 1 39 39 TYR HB3 H 1 3.07 0.03 . 2 . . . 1 39 TYR HB3 . 30139 1 311 . 1 1 39 39 TYR HD1 H 1 6.70 0.03 . 3 . . . 1 39 TYR HD1 . 30139 1 312 . 1 1 39 39 TYR C C 13 176.10 0.1 . 1 . . . 1 39 TYR C . 30139 1 313 . 1 1 39 39 TYR CA C 13 55.60 0.5 . 1 . . . 1 39 TYR CA . 30139 1 314 . 1 1 39 39 TYR CB C 13 41.17 0.5 . 1 . . . 1 39 TYR CB . 30139 1 315 . 1 1 39 39 TYR N N 15 118.40 0.25 . 1 . . . 1 39 TYR N . 30139 1 316 . 1 1 40 40 ALA H H 1 8.45 0.03 . 1 . . . 1 40 ALA H . 30139 1 317 . 1 1 40 40 ALA HA H 1 4.69 0.03 . 1 . . . 1 40 ALA HA . 30139 1 318 . 1 1 40 40 ALA HB1 H 1 1.49 0.03 . 1 . . . 1 40 ALA HB1 . 30139 1 319 . 1 1 40 40 ALA HB2 H 1 1.49 0.03 . 1 . . . 1 40 ALA HB2 . 30139 1 320 . 1 1 40 40 ALA HB3 H 1 1.49 0.03 . 1 . . . 1 40 ALA HB3 . 30139 1 321 . 1 1 40 40 ALA C C 13 175.38 0.1 . 1 . . . 1 40 ALA C . 30139 1 322 . 1 1 40 40 ALA CA C 13 53.43 0.5 . 1 . . . 1 40 ALA CA . 30139 1 323 . 1 1 40 40 ALA CB C 13 17.71 0.5 . 1 . . . 1 40 ALA CB . 30139 1 324 . 1 1 40 40 ALA N N 15 129.38 0.25 . 1 . . . 1 40 ALA N . 30139 1 325 . 1 1 41 41 VAL H H 1 7.26 0.03 . 1 . . . 1 41 VAL H . 30139 1 326 . 1 1 41 41 VAL HA H 1 4.86 0.03 . 1 . . . 1 41 VAL HA . 30139 1 327 . 1 1 41 41 VAL HB H 1 2.00 0.03 . 1 . . . 1 41 VAL HB . 30139 1 328 . 1 1 41 41 VAL HG11 H 1 1.00 0.03 . 1 . . . 1 41 VAL HG11 . 30139 1 329 . 1 1 41 41 VAL HG12 H 1 1.00 0.03 . 1 . . . 1 41 VAL HG12 . 30139 1 330 . 1 1 41 41 VAL HG13 H 1 1.00 0.03 . 1 . . . 1 41 VAL HG13 . 30139 1 331 . 1 1 41 41 VAL HG21 H 1 1.49 0.03 . 1 . . . 1 41 VAL HG21 . 30139 1 332 . 1 1 41 41 VAL HG22 H 1 1.49 0.03 . 1 . . . 1 41 VAL HG22 . 30139 1 333 . 1 1 41 41 VAL HG23 H 1 1.49 0.03 . 1 . . . 1 41 VAL HG23 . 30139 1 334 . 1 1 41 41 VAL C C 13 172.52 0.1 . 1 . . . 1 41 VAL C . 30139 1 335 . 1 1 41 41 VAL CA C 13 58.22 0.5 . 1 . . . 1 41 VAL CA . 30139 1 336 . 1 1 41 41 VAL CB C 13 33.79 0.5 . 1 . . . 1 41 VAL CB . 30139 1 337 . 1 1 41 41 VAL CG1 C 13 23.00 0.5 . 1 . . . 1 41 VAL CG1 . 30139 1 338 . 1 1 41 41 VAL CG2 C 13 17.64 0.5 . 1 . . . 1 41 VAL CG2 . 30139 1 339 . 1 1 41 41 VAL N N 15 120.23 0.25 . 1 . . . 1 41 VAL N . 30139 1 340 . 1 1 42 42 PRO HA H 1 4.44 0.03 . 1 . . . 1 42 PRO HA . 30139 1 341 . 1 1 42 42 PRO HB2 H 1 1.82 0.03 . 2 . . . 1 42 PRO HB2 . 30139 1 342 . 1 1 42 42 PRO HB3 H 1 1.76 0.03 . 2 . . . 1 42 PRO HB3 . 30139 1 343 . 1 1 42 42 PRO HG2 H 1 2.25 0.03 . 2 . . . 1 42 PRO HG2 . 30139 1 344 . 1 1 42 42 PRO HD2 H 1 3.82 0.03 . 2 . . . 1 42 PRO HD2 . 30139 1 345 . 1 1 42 42 PRO HD3 H 1 3.78 0.03 . 2 . . . 1 42 PRO HD3 . 30139 1 346 . 1 1 42 42 PRO C C 13 176.85 0.1 . 1 . . . 1 42 PRO C . 30139 1 347 . 1 1 42 42 PRO CA C 13 61.92 0.5 . 1 . . . 1 42 PRO CA . 30139 1 348 . 1 1 42 42 PRO CB C 13 32.50 0.5 . 1 . . . 1 42 PRO CB . 30139 1 349 . 1 1 42 42 PRO CG C 13 27.80 0.5 . 1 . . . 1 42 PRO CG . 30139 1 350 . 1 1 42 42 PRO CD C 13 50.50 0.5 . 1 . . . 1 42 PRO CD . 30139 1 351 . 1 1 43 43 VAL H H 1 8.56 0.03 . 1 . . . 1 43 VAL H . 30139 1 352 . 1 1 43 43 VAL HA H 1 3.77 0.03 . 1 . . . 1 43 VAL HA . 30139 1 353 . 1 1 43 43 VAL HB H 1 2.03 0.03 . 1 . . . 1 43 VAL HB . 30139 1 354 . 1 1 43 43 VAL HG11 H 1 1.15 0.03 . 1 . . . 1 43 VAL HG11 . 30139 1 355 . 1 1 43 43 VAL HG12 H 1 1.15 0.03 . 1 . . . 1 43 VAL HG12 . 30139 1 356 . 1 1 43 43 VAL HG13 H 1 1.15 0.03 . 1 . . . 1 43 VAL HG13 . 30139 1 357 . 1 1 43 43 VAL HG21 H 1 1.09 0.03 . 1 . . . 1 43 VAL HG21 . 30139 1 358 . 1 1 43 43 VAL HG22 H 1 1.09 0.03 . 1 . . . 1 43 VAL HG22 . 30139 1 359 . 1 1 43 43 VAL HG23 H 1 1.09 0.03 . 1 . . . 1 43 VAL HG23 . 30139 1 360 . 1 1 43 43 VAL C C 13 177.22 0.1 . 1 . . . 1 43 VAL C . 30139 1 361 . 1 1 43 43 VAL CA C 13 64.38 0.5 . 1 . . . 1 43 VAL CA . 30139 1 362 . 1 1 43 43 VAL CB C 13 31.84 0.5 . 1 . . . 1 43 VAL CB . 30139 1 363 . 1 1 43 43 VAL CG1 C 13 22.03 0.5 . 1 . . . 1 43 VAL CG1 . 30139 1 364 . 1 1 43 43 VAL CG2 C 13 21.10 0.5 . 1 . . . 1 43 VAL CG2 . 30139 1 365 . 1 1 43 43 VAL N N 15 121.13 0.25 . 1 . . . 1 43 VAL N . 30139 1 366 . 1 1 44 44 GLY H H 1 8.79 0.03 . 1 . . . 1 44 GLY H . 30139 1 367 . 1 1 44 44 GLY HA2 H 1 3.59 0.03 . 1 . . . 1 44 GLY HA2 . 30139 1 368 . 1 1 44 44 GLY HA3 H 1 4.45 0.03 . 1 . . . 1 44 GLY HA3 . 30139 1 369 . 1 1 44 44 GLY C C 13 174.20 0.1 . 1 . . . 1 44 GLY C . 30139 1 370 . 1 1 44 44 GLY CA C 13 44.94 0.5 . 1 . . . 1 44 GLY CA . 30139 1 371 . 1 1 44 44 GLY N N 15 113.05 0.25 . 1 . . . 1 44 GLY N . 30139 1 372 . 1 1 45 45 THR H H 1 8.37 0.03 . 1 . . . 1 45 THR H . 30139 1 373 . 1 1 45 45 THR HA H 1 4.57 0.03 . 1 . . . 1 45 THR HA . 30139 1 374 . 1 1 45 45 THR HB H 1 4.59 0.03 . 1 . . . 1 45 THR HB . 30139 1 375 . 1 1 45 45 THR HG21 H 1 1.38 0.03 . 1 . . . 1 45 THR HG21 . 30139 1 376 . 1 1 45 45 THR HG22 H 1 1.38 0.03 . 1 . . . 1 45 THR HG22 . 30139 1 377 . 1 1 45 45 THR HG23 H 1 1.38 0.03 . 1 . . . 1 45 THR HG23 . 30139 1 378 . 1 1 45 45 THR C C 13 173.14 0.1 . 1 . . . 1 45 THR C . 30139 1 379 . 1 1 45 45 THR CA C 13 62.76 0.5 . 1 . . . 1 45 THR CA . 30139 1 380 . 1 1 45 45 THR CB C 13 69.19 0.5 . 1 . . . 1 45 THR CB . 30139 1 381 . 1 1 45 45 THR CG2 C 13 21.53 0.5 . 1 . . . 1 45 THR CG2 . 30139 1 382 . 1 1 45 45 THR N N 15 122.97 0.25 . 1 . . . 1 45 THR N . 30139 1 383 . 1 1 46 46 PRO HA H 1 4.10 0.03 . 1 . . . 1 46 PRO HA . 30139 1 384 . 1 1 46 46 PRO HB2 H 1 2.10 0.03 . 2 . . . 1 46 PRO HB2 . 30139 1 385 . 1 1 46 46 PRO HB3 H 1 1.76 0.03 . 2 . . . 1 46 PRO HB3 . 30139 1 386 . 1 1 46 46 PRO HG2 H 1 2.30 0.03 . 2 . . . 1 46 PRO HG2 . 30139 1 387 . 1 1 46 46 PRO HG3 H 1 2.17 0.03 . 2 . . . 1 46 PRO HG3 . 30139 1 388 . 1 1 46 46 PRO HD2 H 1 4.40 0.03 . 2 . . . 1 46 PRO HD2 . 30139 1 389 . 1 1 46 46 PRO HD3 H 1 3.80 0.03 . 2 . . . 1 46 PRO HD3 . 30139 1 390 . 1 1 46 46 PRO C C 13 174.32 0.1 . 1 . . . 1 46 PRO C . 30139 1 391 . 1 1 46 46 PRO CA C 13 64.23 0.5 . 1 . . . 1 46 PRO CA . 30139 1 392 . 1 1 46 46 PRO CB C 13 32.20 0.5 . 1 . . . 1 46 PRO CB . 30139 1 393 . 1 1 46 46 PRO CG C 13 28.00 0.5 . 1 . . . 1 46 PRO CG . 30139 1 394 . 1 1 46 46 PRO CD C 13 51.70 0.5 . 1 . . . 1 46 PRO CD . 30139 1 395 . 1 1 47 47 VAL H H 1 8.25 0.03 . 1 . . . 1 47 VAL H . 30139 1 396 . 1 1 47 47 VAL HA H 1 4.41 0.03 . 1 . . . 1 47 VAL HA . 30139 1 397 . 1 1 47 47 VAL HB H 1 1.35 0.03 . 1 . . . 1 47 VAL HB . 30139 1 398 . 1 1 47 47 VAL HG11 H 1 0.88 0.03 . 1 . . . 1 47 VAL HG11 . 30139 1 399 . 1 1 47 47 VAL HG12 H 1 0.88 0.03 . 1 . . . 1 47 VAL HG12 . 30139 1 400 . 1 1 47 47 VAL HG13 H 1 0.88 0.03 . 1 . . . 1 47 VAL HG13 . 30139 1 401 . 1 1 47 47 VAL HG21 H 1 0.92 0.03 . 1 . . . 1 47 VAL HG21 . 30139 1 402 . 1 1 47 47 VAL HG22 H 1 0.92 0.03 . 1 . . . 1 47 VAL HG22 . 30139 1 403 . 1 1 47 47 VAL HG23 H 1 0.92 0.03 . 1 . . . 1 47 VAL HG23 . 30139 1 404 . 1 1 47 47 VAL C C 13 174.38 0.1 . 1 . . . 1 47 VAL C . 30139 1 405 . 1 1 47 47 VAL CA C 13 60.51 0.5 . 1 . . . 1 47 VAL CA . 30139 1 406 . 1 1 47 47 VAL CB C 13 33.58 0.5 . 1 . . . 1 47 VAL CB . 30139 1 407 . 1 1 47 47 VAL CG1 C 13 24.57 0.5 . 1 . . . 1 47 VAL CG1 . 30139 1 408 . 1 1 47 47 VAL CG2 C 13 24.34 0.5 . 1 . . . 1 47 VAL CG2 . 30139 1 409 . 1 1 47 47 VAL N N 15 122.38 0.25 . 1 . . . 1 47 VAL N . 30139 1 410 . 1 1 48 48 ARG H H 1 9.29 0.03 . 1 . . . 1 48 ARG H . 30139 1 411 . 1 1 48 48 ARG HA H 1 4.81 0.03 . 1 . . . 1 48 ARG HA . 30139 1 412 . 1 1 48 48 ARG HB2 H 1 0.85 0.03 . 2 . . . 1 48 ARG HB2 . 30139 1 413 . 1 1 48 48 ARG HG2 H 1 1.05 0.03 . 2 . . . 1 48 ARG HG2 . 30139 1 414 . 1 1 48 48 ARG HG3 H 1 1.17 0.03 . 2 . . . 1 48 ARG HG3 . 30139 1 415 . 1 1 48 48 ARG HD2 H 1 2.95 0.03 . 2 . . . 1 48 ARG HD2 . 30139 1 416 . 1 1 48 48 ARG HE H 1 9.42 0.03 . 1 . . . 1 48 ARG HE . 30139 1 417 . 1 1 48 48 ARG C C 13 175.71 0.1 . 1 . . . 1 48 ARG C . 30139 1 418 . 1 1 48 48 ARG CA C 13 53.44 0.5 . 1 . . . 1 48 ARG CA . 30139 1 419 . 1 1 48 48 ARG CB C 13 33.97 0.5 . 1 . . . 1 48 ARG CB . 30139 1 420 . 1 1 48 48 ARG CG C 13 28.53 0.5 . 1 . . . 1 48 ARG CG . 30139 1 421 . 1 1 48 48 ARG CD C 13 43.07 0.5 . 1 . . . 1 48 ARG CD . 30139 1 422 . 1 1 48 48 ARG N N 15 125.33 0.25 . 1 . . . 1 48 ARG N . 30139 1 423 . 1 1 48 48 ARG NE N 15 86.50 0.25 . 1 . . . 1 48 ARG NE . 30139 1 424 . 1 1 49 49 ALA H H 1 8.11 0.03 . 1 . . . 1 49 ALA H . 30139 1 425 . 1 1 49 49 ALA HA H 1 3.93 0.03 . 1 . . . 1 49 ALA HA . 30139 1 426 . 1 1 49 49 ALA HB1 H 1 1.20 0.03 . 1 . . . 1 49 ALA HB1 . 30139 1 427 . 1 1 49 49 ALA HB2 H 1 1.20 0.03 . 1 . . . 1 49 ALA HB2 . 30139 1 428 . 1 1 49 49 ALA HB3 H 1 1.20 0.03 . 1 . . . 1 49 ALA HB3 . 30139 1 429 . 1 1 49 49 ALA C C 13 182.82 0.1 . 1 . . . 1 49 ALA C . 30139 1 430 . 1 1 49 49 ALA CA C 13 52.22 0.5 . 1 . . . 1 49 ALA CA . 30139 1 431 . 1 1 49 49 ALA CB C 13 18.31 0.5 . 1 . . . 1 49 ALA CB . 30139 1 432 . 1 1 49 49 ALA N N 15 119.48 0.25 . 1 . . . 1 49 ALA N . 30139 1 433 . 1 1 50 50 VAL H H 1 7.53 0.03 . 1 . . . 1 50 VAL H . 30139 1 434 . 1 1 50 50 VAL HA H 1 4.17 0.03 . 1 . . . 1 50 VAL HA . 30139 1 435 . 1 1 50 50 VAL HB H 1 2.90 0.03 . 1 . . . 1 50 VAL HB . 30139 1 436 . 1 1 50 50 VAL HG11 H 1 0.80 0.03 . 1 . . . 1 50 VAL HG11 . 30139 1 437 . 1 1 50 50 VAL HG12 H 1 0.80 0.03 . 1 . . . 1 50 VAL HG12 . 30139 1 438 . 1 1 50 50 VAL HG13 H 1 0.80 0.03 . 1 . . . 1 50 VAL HG13 . 30139 1 439 . 1 1 50 50 VAL HG21 H 1 1.20 0.03 . 1 . . . 1 50 VAL HG21 . 30139 1 440 . 1 1 50 50 VAL HG22 H 1 1.20 0.03 . 1 . . . 1 50 VAL HG22 . 30139 1 441 . 1 1 50 50 VAL HG23 H 1 1.20 0.03 . 1 . . . 1 50 VAL HG23 . 30139 1 442 . 1 1 50 50 VAL C C 13 174.45 0.1 . 1 . . . 1 50 VAL C . 30139 1 443 . 1 1 50 50 VAL CA C 13 62.71 0.5 . 1 . . . 1 50 VAL CA . 30139 1 444 . 1 1 50 50 VAL CB C 13 31.82 0.5 . 1 . . . 1 50 VAL CB . 30139 1 445 . 1 1 50 50 VAL CG1 C 13 19.62 0.5 . 1 . . . 1 50 VAL CG1 . 30139 1 446 . 1 1 50 50 VAL CG2 C 13 23.12 0.5 . 1 . . . 1 50 VAL CG2 . 30139 1 447 . 1 1 50 50 VAL N N 15 115.97 0.25 . 1 . . . 1 50 VAL N . 30139 1 448 . 1 1 51 51 ALA H H 1 7.45 0.03 . 1 . . . 1 51 ALA H . 30139 1 449 . 1 1 51 51 ALA HA H 1 4.26 0.03 . 1 . . . 1 51 ALA HA . 30139 1 450 . 1 1 51 51 ALA HB1 H 1 1.14 0.03 . 1 . . . 1 51 ALA HB1 . 30139 1 451 . 1 1 51 51 ALA HB2 H 1 1.14 0.03 . 1 . . . 1 51 ALA HB2 . 30139 1 452 . 1 1 51 51 ALA HB3 H 1 1.14 0.03 . 1 . . . 1 51 ALA HB3 . 30139 1 453 . 1 1 51 51 ALA C C 13 174.80 0.1 . 1 . . . 1 51 ALA C . 30139 1 454 . 1 1 51 51 ALA CA C 13 51.32 0.5 . 1 . . . 1 51 ALA CA . 30139 1 455 . 1 1 51 51 ALA CB C 13 21.22 0.5 . 1 . . . 1 51 ALA CB . 30139 1 456 . 1 1 51 51 ALA N N 15 117.02 0.25 . 1 . . . 1 51 ALA N . 30139 1 457 . 1 1 52 52 ASN H H 1 9.32 0.03 . 1 . . . 1 52 ASN H . 30139 1 458 . 1 1 52 52 ASN HA H 1 4.70 0.03 . 1 . . . 1 52 ASN HA . 30139 1 459 . 1 1 52 52 ASN HB2 H 1 3.16 0.03 . 1 . . . 1 52 ASN HB2 . 30139 1 460 . 1 1 52 52 ASN HB3 H 1 2.86 0.03 . 1 . . . 1 52 ASN HB3 . 30139 1 461 . 1 1 52 52 ASN HD21 H 1 7.70 0.03 . 1 . . . 1 52 ASN HD21 . 30139 1 462 . 1 1 52 52 ASN HD22 H 1 7.00 0.03 . 1 . . . 1 52 ASN HD22 . 30139 1 463 . 1 1 52 52 ASN C C 13 178.11 0.1 . 1 . . . 1 52 ASN C . 30139 1 464 . 1 1 52 52 ASN CA C 13 53.13 0.5 . 1 . . . 1 52 ASN CA . 30139 1 465 . 1 1 52 52 ASN CB C 13 38.26 0.5 . 1 . . . 1 52 ASN CB . 30139 1 466 . 1 1 52 52 ASN CG C 13 176.26 0.1 . 1 . . . 1 52 ASN CG . 30139 1 467 . 1 1 52 52 ASN N N 15 117.35 0.25 . 1 . . . 1 52 ASN N . 30139 1 468 . 1 1 52 52 ASN ND2 N 15 111.70 0.25 . 1 . . . 1 52 ASN ND2 . 30139 1 469 . 1 1 53 53 GLY H H 1 8.88 0.03 . 1 . . . 1 53 GLY H . 30139 1 470 . 1 1 53 53 GLY HA2 H 1 4.34 0.03 . 2 . . . 1 53 GLY HA2 . 30139 1 471 . 1 1 53 53 GLY HA3 H 1 3.86 0.03 . 2 . . . 1 53 GLY HA3 . 30139 1 472 . 1 1 53 53 GLY C C 13 170.50 0.1 . 1 . . . 1 53 GLY C . 30139 1 473 . 1 1 53 53 GLY CA C 13 47.38 0.5 . 1 . . . 1 53 GLY CA . 30139 1 474 . 1 1 53 53 GLY N N 15 111.65 0.25 . 1 . . . 1 53 GLY N . 30139 1 475 . 1 1 54 54 THR H H 1 8.56 0.03 . 1 . . . 1 54 THR H . 30139 1 476 . 1 1 54 54 THR HA H 1 4.86 0.03 . 1 . . . 1 54 THR HA . 30139 1 477 . 1 1 54 54 THR HB H 1 3.87 0.03 . 1 . . . 1 54 THR HB . 30139 1 478 . 1 1 54 54 THR HG21 H 1 1.09 0.03 . 1 . . . 1 54 THR HG21 . 30139 1 479 . 1 1 54 54 THR HG22 H 1 1.09 0.03 . 1 . . . 1 54 THR HG22 . 30139 1 480 . 1 1 54 54 THR HG23 H 1 1.09 0.03 . 1 . . . 1 54 THR HG23 . 30139 1 481 . 1 1 54 54 THR C C 13 173.68 0.1 . 1 . . . 1 54 THR C . 30139 1 482 . 1 1 54 54 THR CA C 13 61.02 0.5 . 1 . . . 1 54 THR CA . 30139 1 483 . 1 1 54 54 THR CB C 13 70.96 0.5 . 1 . . . 1 54 THR CB . 30139 1 484 . 1 1 54 54 THR CG2 C 13 21.30 0.5 . 1 . . . 1 54 THR CG2 . 30139 1 485 . 1 1 54 54 THR N N 15 116.70 0.1 . 1 . . . 1 54 THR N . 30139 1 486 . 1 1 55 55 VAL H H 1 9.37 0.03 . 1 . . . 1 55 VAL H . 30139 1 487 . 1 1 55 55 VAL HA H 1 3.96 0.03 . 1 . . . 1 55 VAL HA . 30139 1 488 . 1 1 55 55 VAL HB H 1 2.37 0.03 . 1 . . . 1 55 VAL HB . 30139 1 489 . 1 1 55 55 VAL HG11 H 1 0.68 0.03 . 1 . . . 1 55 VAL HG11 . 30139 1 490 . 1 1 55 55 VAL HG12 H 1 0.68 0.03 . 1 . . . 1 55 VAL HG12 . 30139 1 491 . 1 1 55 55 VAL HG13 H 1 0.68 0.03 . 1 . . . 1 55 VAL HG13 . 30139 1 492 . 1 1 55 55 VAL HG21 H 1 0.73 0.03 . 1 . . . 1 55 VAL HG21 . 30139 1 493 . 1 1 55 55 VAL HG22 H 1 0.73 0.03 . 1 . . . 1 55 VAL HG22 . 30139 1 494 . 1 1 55 55 VAL HG23 H 1 0.73 0.03 . 1 . . . 1 55 VAL HG23 . 30139 1 495 . 1 1 55 55 VAL C C 13 175.23 0.1 . 1 . . . 1 55 VAL C . 30139 1 496 . 1 1 55 55 VAL CA C 13 63.46 0.5 . 1 . . . 1 55 VAL CA . 30139 1 497 . 1 1 55 55 VAL CB C 13 30.93 0.5 . 1 . . . 1 55 VAL CB . 30139 1 498 . 1 1 55 55 VAL CG1 C 13 23.30 0.5 . 1 . . . 1 55 VAL CG1 . 30139 1 499 . 1 1 55 55 VAL CG2 C 13 22.50 0.5 . 1 . . . 1 55 VAL CG2 . 30139 1 500 . 1 1 55 55 VAL N N 15 127.32 0.25 . 1 . . . 1 55 VAL N . 30139 1 501 . 1 1 56 56 LYS H H 1 8.96 0.03 . 1 . . . 1 56 LYS H . 30139 1 502 . 1 1 56 56 LYS HA H 1 4.45 0.03 . 1 . . . 1 56 LYS HA . 30139 1 503 . 1 1 56 56 LYS HB2 H 1 1.55 0.03 . 2 . . . 1 56 LYS HB2 . 30139 1 504 . 1 1 56 56 LYS HG2 H 1 1.60 0.03 . 2 . . . 1 56 LYS HG2 . 30139 1 505 . 1 1 56 56 LYS HD2 H 1 1.65 0.03 . 2 . . . 1 56 LYS HD2 . 30139 1 506 . 1 1 56 56 LYS HE2 H 1 2.80 0.03 . 2 . . . 1 56 LYS HE2 . 30139 1 507 . 1 1 56 56 LYS C C 13 176.82 0.1 . 1 . . . 1 56 LYS C . 30139 1 508 . 1 1 56 56 LYS CA C 13 55.62 0.5 . 1 . . . 1 56 LYS CA . 30139 1 509 . 1 1 56 56 LYS CB C 13 32.36 0.5 . 1 . . . 1 56 LYS CB . 30139 1 510 . 1 1 56 56 LYS CG C 13 24.88 0.5 . 1 . . . 1 56 LYS CG . 30139 1 511 . 1 1 56 56 LYS CD C 13 28.00 0.5 . 1 . . . 1 56 LYS CD . 30139 1 512 . 1 1 56 56 LYS CE C 13 41.42 0.5 . 1 . . . 1 56 LYS CE . 30139 1 513 . 1 1 56 56 LYS N N 15 132.95 0.25 . 1 . . . 1 56 LYS N . 30139 1 514 . 1 1 57 57 PHE H H 1 7.90 0.03 . 1 . . . 1 57 PHE H . 30139 1 515 . 1 1 57 57 PHE HA H 1 4.52 0.03 . 1 . . . 1 57 PHE HA . 30139 1 516 . 1 1 57 57 PHE HB2 H 1 3.21 0.03 . 2 . . . 1 57 PHE HB2 . 30139 1 517 . 1 1 57 57 PHE HB3 H 1 2.08 0.03 . 2 . . . 1 57 PHE HB3 . 30139 1 518 . 1 1 57 57 PHE HD1 H 1 7.26 0.03 . 3 . . . 1 57 PHE HD1 . 30139 1 519 . 1 1 57 57 PHE C C 13 171.64 0.1 . 1 . . . 1 57 PHE C . 30139 1 520 . 1 1 57 57 PHE CA C 13 58.94 0.5 . 1 . . . 1 57 PHE CA . 30139 1 521 . 1 1 57 57 PHE CB C 13 43.23 0.5 . 1 . . . 1 57 PHE CB . 30139 1 522 . 1 1 57 57 PHE N N 15 116.51 0.25 . 1 . . . 1 57 PHE N . 30139 1 523 . 1 1 58 58 ALA H H 1 6.88 0.03 . 1 . . . 1 58 ALA H . 30139 1 524 . 1 1 58 58 ALA HA H 1 4.79 0.03 . 1 . . . 1 58 ALA HA . 30139 1 525 . 1 1 58 58 ALA HB1 H 1 1.05 0.03 . 1 . . . 1 58 ALA HB1 . 30139 1 526 . 1 1 58 58 ALA HB2 H 1 1.05 0.03 . 1 . . . 1 58 ALA HB2 . 30139 1 527 . 1 1 58 58 ALA HB3 H 1 1.05 0.03 . 1 . . . 1 58 ALA HB3 . 30139 1 528 . 1 1 58 58 ALA C C 13 174.68 0.1 . 1 . . . 1 58 ALA C . 30139 1 529 . 1 1 58 58 ALA CA C 13 50.79 0.5 . 1 . . . 1 58 ALA CA . 30139 1 530 . 1 1 58 58 ALA CB C 13 21.69 0.5 . 1 . . . 1 58 ALA CB . 30139 1 531 . 1 1 58 58 ALA N N 15 130.13 0.25 . 1 . . . 1 58 ALA N . 30139 1 532 . 1 1 59 59 GLY H H 1 8.26 0.03 . 1 . . . 1 59 GLY H . 30139 1 533 . 1 1 59 59 GLY HA2 H 1 3.97 0.03 . 2 . . . 1 59 GLY HA2 . 30139 1 534 . 1 1 59 59 GLY HA3 H 1 3.70 0.03 . 2 . . . 1 59 GLY HA3 . 30139 1 535 . 1 1 59 59 GLY C C 13 171.01 0.1 . 1 . . . 1 59 GLY C . 30139 1 536 . 1 1 59 59 GLY CA C 13 44.91 0.5 . 1 . . . 1 59 GLY CA . 30139 1 537 . 1 1 59 59 GLY N N 15 111.37 0.25 . 1 . . . 1 59 GLY N . 30139 1 538 . 1 1 60 60 ASN H H 1 9.02 0.03 . 1 . . . 1 60 ASN H . 30139 1 539 . 1 1 60 60 ASN HA H 1 4.79 0.03 . 1 . . . 1 60 ASN HA . 30139 1 540 . 1 1 60 60 ASN HB2 H 1 2.94 0.03 . 2 . . . 1 60 ASN HB2 . 30139 1 541 . 1 1 60 60 ASN HB3 H 1 2.92 0.03 . 2 . . . 1 60 ASN HB3 . 30139 1 542 . 1 1 60 60 ASN HD21 H 1 7.80 0.03 . 1 . . . 1 60 ASN HD21 . 30139 1 543 . 1 1 60 60 ASN HD22 H 1 7.20 0.03 . 1 . . . 1 60 ASN HD22 . 30139 1 544 . 1 1 60 60 ASN C C 13 177.37 0.1 . 1 . . . 1 60 ASN C . 30139 1 545 . 1 1 60 60 ASN CA C 13 54.00 0.5 . 1 . . . 1 60 ASN CA . 30139 1 546 . 1 1 60 60 ASN CB C 13 39.66 0.5 . 1 . . . 1 60 ASN CB . 30139 1 547 . 1 1 60 60 ASN CG C 13 177.20 0.1 . 1 . . . 1 60 ASN CG . 30139 1 548 . 1 1 60 60 ASN N N 15 121.01 0.25 . 1 . . . 1 60 ASN N . 30139 1 549 . 1 1 60 60 ASN ND2 N 15 111.90 0.25 . 1 . . . 1 60 ASN ND2 . 30139 1 550 . 1 1 61 61 GLY H H 1 9.69 0.03 . 1 . . . 1 61 GLY H . 30139 1 551 . 1 1 61 61 GLY HA2 H 1 3.85 0.03 . 2 . . . 1 61 GLY HA2 . 30139 1 552 . 1 1 61 61 GLY HA3 H 1 3.65 0.03 . 2 . . . 1 61 GLY HA3 . 30139 1 553 . 1 1 61 61 GLY C C 13 173.23 0.1 . 1 . . . 1 61 GLY C . 30139 1 554 . 1 1 61 61 GLY CA C 13 47.63 0.5 . 1 . . . 1 61 GLY CA . 30139 1 555 . 1 1 61 61 GLY N N 15 115.64 0.25 . 1 . . . 1 61 GLY N . 30139 1 556 . 1 1 62 62 ALA H H 1 8.32 0.03 . 1 . . . 1 62 ALA H . 30139 1 557 . 1 1 62 62 ALA HA H 1 3.98 0.03 . 1 . . . 1 62 ALA HA . 30139 1 558 . 1 1 62 62 ALA HB1 H 1 1.40 0.03 . 1 . . . 1 62 ALA HB1 . 30139 1 559 . 1 1 62 62 ALA HB2 H 1 1.40 0.03 . 1 . . . 1 62 ALA HB2 . 30139 1 560 . 1 1 62 62 ALA HB3 H 1 1.40 0.03 . 1 . . . 1 62 ALA HB3 . 30139 1 561 . 1 1 62 62 ALA C C 13 178.60 0.1 . 1 . . . 1 62 ALA C . 30139 1 562 . 1 1 62 62 ALA CA C 13 54.43 0.5 . 1 . . . 1 62 ALA CA . 30139 1 563 . 1 1 62 62 ALA CB C 13 18.90 0.5 . 1 . . . 1 62 ALA CB . 30139 1 564 . 1 1 62 62 ALA N N 15 118.73 0.25 . 1 . . . 1 62 ALA N . 30139 1 565 . 1 1 63 63 ASN H H 1 8.47 0.03 . 1 . . . 1 63 ASN H . 30139 1 566 . 1 1 63 63 ASN HA H 1 4.76 0.03 . 1 . . . 1 63 ASN HA . 30139 1 567 . 1 1 63 63 ASN HB2 H 1 2.97 0.03 . 1 . . . 1 63 ASN HB2 . 30139 1 568 . 1 1 63 63 ASN HB3 H 1 3.33 0.03 . 1 . . . 1 63 ASN HB3 . 30139 1 569 . 1 1 63 63 ASN HD21 H 1 7.72 0.03 . 1 . . . 1 63 ASN HD21 . 30139 1 570 . 1 1 63 63 ASN HD22 H 1 7.16 0.03 . 1 . . . 1 63 ASN HD22 . 30139 1 571 . 1 1 63 63 ASN C C 13 173.44 0.1 . 1 . . . 1 63 ASN C . 30139 1 572 . 1 1 63 63 ASN CA C 13 52.84 0.5 . 1 . . . 1 63 ASN CA . 30139 1 573 . 1 1 63 63 ASN CB C 13 39.33 0.5 . 1 . . . 1 63 ASN CB . 30139 1 574 . 1 1 63 63 ASN CG C 13 177.33 0.1 . 1 . . . 1 63 ASN CG . 30139 1 575 . 1 1 63 63 ASN N N 15 112.00 0.25 . 1 . . . 1 63 ASN N . 30139 1 576 . 1 1 63 63 ASN ND2 N 15 111.90 0.25 . 1 . . . 1 63 ASN ND2 . 30139 1 577 . 1 1 64 64 HIS H H 1 7.55 0.03 . 1 . . . 1 64 HIS H . 30139 1 578 . 1 1 64 64 HIS HA H 1 4.46 0.03 . 1 . . . 1 64 HIS HA . 30139 1 579 . 1 1 64 64 HIS HB2 H 1 0.71 0.03 . 1 . . . 1 64 HIS HB2 . 30139 1 580 . 1 1 64 64 HIS HB3 H 1 1.90 0.03 . 1 . . . 1 64 HIS HB3 . 30139 1 581 . 1 1 64 64 HIS HD2 H 1 6.60 0.03 . 9 . . . 1 64 HIS HD2 . 30139 1 582 . 1 1 64 64 HIS C C 13 174.67 0.1 . 1 . . . 1 64 HIS C . 30139 1 583 . 1 1 64 64 HIS CA C 13 55.03 0.5 . 1 . . . 1 64 HIS CA . 30139 1 584 . 1 1 64 64 HIS CB C 13 33.11 0.5 . 1 . . . 1 64 HIS CB . 30139 1 585 . 1 1 64 64 HIS N N 15 121.99 0.25 . 1 . . . 1 64 HIS N . 30139 1 586 . 1 1 65 65 PRO HA H 1 4.24 0.03 . 1 . . . 1 65 PRO HA . 30139 1 587 . 1 1 65 65 PRO HB2 H 1 2.15 0.03 . 2 . . . 1 65 PRO HB2 . 30139 1 588 . 1 1 65 65 PRO HB3 H 1 1.80 0.03 . 2 . . . 1 65 PRO HB3 . 30139 1 589 . 1 1 65 65 PRO HG2 H 1 1.65 0.03 . 2 . . . 1 65 PRO HG2 . 30139 1 590 . 1 1 65 65 PRO HG3 H 1 1.35 0.03 . 2 . . . 1 65 PRO HG3 . 30139 1 591 . 1 1 65 65 PRO HD2 H 1 1.85 0.03 . 1 . . . 1 65 PRO HD2 . 30139 1 592 . 1 1 65 65 PRO HD3 H 1 3.15 0.03 . 1 . . . 1 65 PRO HD3 . 30139 1 593 . 1 1 65 65 PRO C C 13 177.62 0.1 . 1 . . . 1 65 PRO C . 30139 1 594 . 1 1 65 65 PRO CA C 13 64.22 0.5 . 1 . . . 1 65 PRO CA . 30139 1 595 . 1 1 65 65 PRO CB C 13 32.05 0.5 . 1 . . . 1 65 PRO CB . 30139 1 596 . 1 1 65 65 PRO CG C 13 27.00 0.5 . 1 . . . 1 65 PRO CG . 30139 1 597 . 1 1 65 65 PRO CD C 13 50.50 0.5 . 1 . . . 1 65 PRO CD . 30139 1 598 . 1 1 66 66 TRP H H 1 10.47 0.03 . 1 . . . 1 66 TRP H . 30139 1 599 . 1 1 66 66 TRP HA H 1 4.82 0.03 . 1 . . . 1 66 TRP HA . 30139 1 600 . 1 1 66 66 TRP HB2 H 1 3.25 0.03 . 2 . . . 1 66 TRP HB2 . 30139 1 601 . 1 1 66 66 TRP HB3 H 1 3.30 0.03 . 2 . . . 1 66 TRP HB3 . 30139 1 602 . 1 1 66 66 TRP HD1 H 1 6.60 0.03 . 1 . . . 1 66 TRP HD1 . 30139 1 603 . 1 1 66 66 TRP HE1 H 1 10.20 0.03 . 1 . . . 1 66 TRP HE1 . 30139 1 604 . 1 1 66 66 TRP HZ2 H 1 7.73 0.03 . 1 . . . 1 66 TRP HZ2 . 30139 1 605 . 1 1 66 66 TRP C C 13 176.64 0.1 . 1 . . . 1 66 TRP C . 30139 1 606 . 1 1 66 66 TRP CA C 13 55.87 0.5 . 1 . . . 1 66 TRP CA . 30139 1 607 . 1 1 66 66 TRP CB C 13 29.03 0.5 . 1 . . . 1 66 TRP CB . 30139 1 608 . 1 1 66 66 TRP N N 15 121.34 0.25 . 1 . . . 1 66 TRP N . 30139 1 609 . 1 1 66 66 TRP NE1 N 15 129.31 0.25 . 1 . . . 1 66 TRP NE1 . 30139 1 610 . 1 1 67 67 MET H H 1 7.97 0.03 . 1 . . . 1 67 MET H . 30139 1 611 . 1 1 67 67 MET HA H 1 4.76 0.03 . 1 . . . 1 67 MET HA . 30139 1 612 . 1 1 67 67 MET HB2 H 1 2.19 0.03 . 2 . . . 1 67 MET HB2 . 30139 1 613 . 1 1 67 67 MET HG2 H 1 2.32 0.03 . 9 . . . 1 67 MET HG2 . 30139 1 614 . 1 1 67 67 MET HE1 H 1 2.07 0.03 . 1 . . . 1 67 MET HE1 . 30139 1 615 . 1 1 67 67 MET HE2 H 1 2.07 0.03 . 1 . . . 1 67 MET HE2 . 30139 1 616 . 1 1 67 67 MET HE3 H 1 2.07 0.03 . 1 . . . 1 67 MET HE3 . 30139 1 617 . 1 1 67 67 MET C C 13 174.11 0.1 . 1 . . . 1 67 MET C . 30139 1 618 . 1 1 67 67 MET CA C 13 55.01 0.5 . 1 . . . 1 67 MET CA . 30139 1 619 . 1 1 67 67 MET CB C 13 34.38 0.5 . 1 . . . 1 67 MET CB . 30139 1 620 . 1 1 67 67 MET CG C 13 32.42 0.5 . 1 . . . 1 67 MET CG . 30139 1 621 . 1 1 67 67 MET CE C 13 15.84 0.5 . 9 . . . 1 67 MET CE . 30139 1 622 . 1 1 67 67 MET N N 15 118.26 0.25 . 1 . . . 1 67 MET N . 30139 1 623 . 1 1 68 68 LEU H H 1 7.42 0.03 . 1 . . . 1 68 LEU H . 30139 1 624 . 1 1 68 68 LEU HA H 1 4.74 0.03 . 1 . . . 1 68 LEU HA . 30139 1 625 . 1 1 68 68 LEU HB2 H 1 1.44 0.03 . 2 . . . 1 68 LEU HB2 . 30139 1 626 . 1 1 68 68 LEU HB3 H 1 1.35 0.03 . 2 . . . 1 68 LEU HB3 . 30139 1 627 . 1 1 68 68 LEU HG H 1 0.82 0.03 . 1 . . . 1 68 LEU HG . 30139 1 628 . 1 1 68 68 LEU HD11 H 1 0.10 0.03 . 1 . . . 1 68 LEU HD11 . 30139 1 629 . 1 1 68 68 LEU HD12 H 1 0.10 0.03 . 1 . . . 1 68 LEU HD12 . 30139 1 630 . 1 1 68 68 LEU HD13 H 1 0.10 0.03 . 1 . . . 1 68 LEU HD13 . 30139 1 631 . 1 1 68 68 LEU HD21 H 1 0.45 0.03 . 1 . . . 1 68 LEU HD21 . 30139 1 632 . 1 1 68 68 LEU HD22 H 1 0.45 0.03 . 1 . . . 1 68 LEU HD22 . 30139 1 633 . 1 1 68 68 LEU HD23 H 1 0.45 0.03 . 1 . . . 1 68 LEU HD23 . 30139 1 634 . 1 1 68 68 LEU C C 13 174.24 0.1 . 1 . . . 1 68 LEU C . 30139 1 635 . 1 1 68 68 LEU CA C 13 54.72 0.5 . 1 . . . 1 68 LEU CA . 30139 1 636 . 1 1 68 68 LEU CB C 13 43.50 0.5 . 1 . . . 1 68 LEU CB . 30139 1 637 . 1 1 68 68 LEU CG C 13 25.50 0.5 . 1 . . . 1 68 LEU CG . 30139 1 638 . 1 1 68 68 LEU CD1 C 13 21.00 0.5 . 1 . . . 1 68 LEU CD1 . 30139 1 639 . 1 1 68 68 LEU CD2 C 13 18.70 0.5 . 1 . . . 1 68 LEU CD2 . 30139 1 640 . 1 1 68 68 LEU N N 15 114.37 0.25 . 1 . . . 1 68 LEU N . 30139 1 641 . 1 1 69 69 TRP H H 1 8.28 0.03 . 1 . . . 1 69 TRP H . 30139 1 642 . 1 1 69 69 TRP HA H 1 4.70 0.03 . 1 . . . 1 69 TRP HA . 30139 1 643 . 1 1 69 69 TRP HB2 H 1 3.15 0.03 . 2 . . . 1 69 TRP HB2 . 30139 1 644 . 1 1 69 69 TRP HB3 H 1 3.00 0.03 . 2 . . . 1 69 TRP HB3 . 30139 1 645 . 1 1 69 69 TRP HD1 H 1 7.45 0.03 . 1 . . . 1 69 TRP HD1 . 30139 1 646 . 1 1 69 69 TRP HE1 H 1 10.37 0.03 . 1 . . . 1 69 TRP HE1 . 30139 1 647 . 1 1 69 69 TRP C C 13 176.40 0.1 . 1 . . . 1 69 TRP C . 30139 1 648 . 1 1 69 69 TRP CA C 13 58.85 0.5 . 1 . . . 1 69 TRP CA . 30139 1 649 . 1 1 69 69 TRP CB C 13 30.44 0.5 . 1 . . . 1 69 TRP CB . 30139 1 650 . 1 1 69 69 TRP N N 15 118.22 0.25 . 1 . . . 1 69 TRP N . 30139 1 651 . 1 1 69 69 TRP NE1 N 15 131.50 0.25 . 1 . . . 1 69 TRP NE1 . 30139 1 652 . 1 1 70 70 MET HA H 1 4.11 0.03 . 9 . . . 1 70 MET HA . 30139 1 653 . 1 1 70 70 MET HE1 H 1 2.07 0.03 . 1 . . . 1 70 MET HE1 . 30139 1 654 . 1 1 70 70 MET HE2 H 1 2.07 0.03 . 1 . . . 1 70 MET HE2 . 30139 1 655 . 1 1 70 70 MET HE3 H 1 2.07 0.03 . 1 . . . 1 70 MET HE3 . 30139 1 656 . 1 1 70 70 MET C C 13 175.11 0.1 . 1 . . . 1 70 MET C . 30139 1 657 . 1 1 70 70 MET CA C 13 53.72 0.5 . 1 . . . 1 70 MET CA . 30139 1 658 . 1 1 70 70 MET CE C 13 16.81 0.5 . 9 . . . 1 70 MET CE . 30139 1 659 . 1 1 71 71 ALA H H 1 8.15 0.03 . 1 . . . 1 71 ALA H . 30139 1 660 . 1 1 71 71 ALA HA H 1 3.80 0.03 . 1 . . . 1 71 ALA HA . 30139 1 661 . 1 1 71 71 ALA HB1 H 1 1.34 0.03 . 1 . . . 1 71 ALA HB1 . 30139 1 662 . 1 1 71 71 ALA HB2 H 1 1.34 0.03 . 1 . . . 1 71 ALA HB2 . 30139 1 663 . 1 1 71 71 ALA HB3 H 1 1.34 0.03 . 1 . . . 1 71 ALA HB3 . 30139 1 664 . 1 1 71 71 ALA C C 13 176.51 0.1 . 1 . . . 1 71 ALA C . 30139 1 665 . 1 1 71 71 ALA CA C 13 53.30 0.5 . 1 . . . 1 71 ALA CA . 30139 1 666 . 1 1 71 71 ALA CB C 13 19.30 0.5 . 1 . . . 1 71 ALA CB . 30139 1 667 . 1 1 71 71 ALA N N 15 120.53 0.25 . 1 . . . 1 71 ALA N . 30139 1 668 . 1 1 72 72 GLY H H 1 7.89 0.03 . 1 . . . 1 72 GLY H . 30139 1 669 . 1 1 72 72 GLY HA2 H 1 4.30 0.03 . 2 . . . 1 72 GLY HA2 . 30139 1 670 . 1 1 72 72 GLY HA3 H 1 3.75 0.03 . 2 . . . 1 72 GLY HA3 . 30139 1 671 . 1 1 72 72 GLY C C 13 174.69 0.1 . 1 . . . 1 72 GLY C . 30139 1 672 . 1 1 72 72 GLY CA C 13 44.74 0.5 . 1 . . . 1 72 GLY CA . 30139 1 673 . 1 1 72 72 GLY N N 15 103.84 0.25 . 1 . . . 1 72 GLY N . 30139 1 674 . 1 1 73 73 ASN H H 1 8.17 0.03 . 1 . . . 1 73 ASN H . 30139 1 675 . 1 1 73 73 ASN HA H 1 5.08 0.03 . 1 . . . 1 73 ASN HA . 30139 1 676 . 1 1 73 73 ASN HB2 H 1 3.20 0.03 . 2 . . . 1 73 ASN HB2 . 30139 1 677 . 1 1 73 73 ASN HB3 H 1 2.13 0.03 . 2 . . . 1 73 ASN HB3 . 30139 1 678 . 1 1 73 73 ASN HD21 H 1 7.40 0.03 . 1 . . . 1 73 ASN HD21 . 30139 1 679 . 1 1 73 73 ASN HD22 H 1 6.70 0.03 . 1 . . . 1 73 ASN HD22 . 30139 1 680 . 1 1 73 73 ASN C C 13 174.18 0.1 . 1 . . . 1 73 ASN C . 30139 1 681 . 1 1 73 73 ASN CA C 13 53.47 0.5 . 1 . . . 1 73 ASN CA . 30139 1 682 . 1 1 73 73 ASN CB C 13 37.82 0.5 . 1 . . . 1 73 ASN CB . 30139 1 683 . 1 1 73 73 ASN CG C 13 176.30 0.1 . 1 . . . 1 73 ASN CG . 30139 1 684 . 1 1 73 73 ASN N N 15 121.29 0.25 . 1 . . . 1 73 ASN N . 30139 1 685 . 1 1 73 73 ASN ND2 N 15 112.50 0.25 . 1 . . . 1 73 ASN ND2 . 30139 1 686 . 1 1 74 74 ALA H H 1 9.46 0.03 . 1 . . . 1 74 ALA H . 30139 1 687 . 1 1 74 74 ALA HA H 1 5.75 0.03 . 1 . . . 1 74 ALA HA . 30139 1 688 . 1 1 74 74 ALA HB1 H 1 1.30 0.03 . 1 . . . 1 74 ALA HB1 . 30139 1 689 . 1 1 74 74 ALA HB2 H 1 1.30 0.03 . 1 . . . 1 74 ALA HB2 . 30139 1 690 . 1 1 74 74 ALA HB3 H 1 1.30 0.03 . 1 . . . 1 74 ALA HB3 . 30139 1 691 . 1 1 74 74 ALA C C 13 174.90 0.1 . 1 . . . 1 74 ALA C . 30139 1 692 . 1 1 74 74 ALA CA C 13 50.64 0.5 . 1 . . . 1 74 ALA CA . 30139 1 693 . 1 1 74 74 ALA CB C 13 24.00 0.5 . 1 . . . 1 74 ALA CB . 30139 1 694 . 1 1 74 74 ALA N N 15 125.93 0.25 . 1 . . . 1 74 ALA N . 30139 1 695 . 1 1 75 75 VAL H H 1 8.51 0.03 . 1 . . . 1 75 VAL H . 30139 1 696 . 1 1 75 75 VAL HA H 1 4.81 0.03 . 1 . . . 1 75 VAL HA . 30139 1 697 . 1 1 75 75 VAL HB H 1 1.68 0.03 . 1 . . . 1 75 VAL HB . 30139 1 698 . 1 1 75 75 VAL HG11 H 1 0.80 0.03 . 1 . . . 1 75 VAL HG11 . 30139 1 699 . 1 1 75 75 VAL HG12 H 1 0.80 0.03 . 1 . . . 1 75 VAL HG12 . 30139 1 700 . 1 1 75 75 VAL HG13 H 1 0.80 0.03 . 1 . . . 1 75 VAL HG13 . 30139 1 701 . 1 1 75 75 VAL HG21 H 1 1.00 0.03 . 1 . . . 1 75 VAL HG21 . 30139 1 702 . 1 1 75 75 VAL HG22 H 1 1.00 0.03 . 1 . . . 1 75 VAL HG22 . 30139 1 703 . 1 1 75 75 VAL HG23 H 1 1.00 0.03 . 1 . . . 1 75 VAL HG23 . 30139 1 704 . 1 1 75 75 VAL C C 13 173.85 0.1 . 1 . . . 1 75 VAL C . 30139 1 705 . 1 1 75 75 VAL CA C 13 60.38 0.5 . 1 . . . 1 75 VAL CA . 30139 1 706 . 1 1 75 75 VAL CB C 13 36.26 0.5 . 1 . . . 1 75 VAL CB . 30139 1 707 . 1 1 75 75 VAL CG1 C 13 22.70 0.5 . 1 . . . 1 75 VAL CG1 . 30139 1 708 . 1 1 75 75 VAL CG2 C 13 19.62 0.5 . 1 . . . 1 75 VAL CG2 . 30139 1 709 . 1 1 75 75 VAL N N 15 117.31 0.25 . 1 . . . 1 75 VAL N . 30139 1 710 . 1 1 76 76 LEU H H 1 9.21 0.03 . 1 . . . 1 76 LEU H . 30139 1 711 . 1 1 76 76 LEU HA H 1 5.69 0.03 . 1 . . . 1 76 LEU HA . 30139 1 712 . 1 1 76 76 LEU HB2 H 1 1.70 0.03 . 1 . . . 1 76 LEU HB2 . 30139 1 713 . 1 1 76 76 LEU HB3 H 1 1.17 0.03 . 1 . . . 1 76 LEU HB3 . 30139 1 714 . 1 1 76 76 LEU HG H 1 1.35 0.03 . 1 . . . 1 76 LEU HG . 30139 1 715 . 1 1 76 76 LEU HD11 H 1 0.42 0.03 . 1 . . . 1 76 LEU HD11 . 30139 1 716 . 1 1 76 76 LEU HD12 H 1 0.42 0.03 . 1 . . . 1 76 LEU HD12 . 30139 1 717 . 1 1 76 76 LEU HD13 H 1 0.42 0.03 . 1 . . . 1 76 LEU HD13 . 30139 1 718 . 1 1 76 76 LEU HD21 H 1 0.79 0.03 . 1 . . . 1 76 LEU HD21 . 30139 1 719 . 1 1 76 76 LEU HD22 H 1 0.79 0.03 . 1 . . . 1 76 LEU HD22 . 30139 1 720 . 1 1 76 76 LEU HD23 H 1 0.79 0.03 . 1 . . . 1 76 LEU HD23 . 30139 1 721 . 1 1 76 76 LEU C C 13 175.66 0.1 . 1 . . . 1 76 LEU C . 30139 1 722 . 1 1 76 76 LEU CA C 13 53.30 0.5 . 1 . . . 1 76 LEU CA . 30139 1 723 . 1 1 76 76 LEU CB C 13 47.37 0.5 . 1 . . . 1 76 LEU CB . 30139 1 724 . 1 1 76 76 LEU CG C 13 28.00 0.5 . 1 . . . 1 76 LEU CG . 30139 1 725 . 1 1 76 76 LEU CD1 C 13 25.80 0.5 . 1 . . . 1 76 LEU CD1 . 30139 1 726 . 1 1 76 76 LEU CD2 C 13 23.21 0.5 . 1 . . . 1 76 LEU CD2 . 30139 1 727 . 1 1 76 76 LEU N N 15 128.23 0.25 . 1 . . . 1 76 LEU N . 30139 1 728 . 1 1 77 77 ILE H H 1 10.07 0.03 . 1 . . . 1 77 ILE H . 30139 1 729 . 1 1 77 77 ILE HA H 1 4.70 0.03 . 1 . . . 1 77 ILE HA . 30139 1 730 . 1 1 77 77 ILE HB H 1 1.92 0.03 . 1 . . . 1 77 ILE HB . 30139 1 731 . 1 1 77 77 ILE HG12 H 1 1.76 0.03 . 2 . . . 1 77 ILE HG12 . 30139 1 732 . 1 1 77 77 ILE HG13 H 1 0.71 0.03 . 2 . . . 1 77 ILE HG13 . 30139 1 733 . 1 1 77 77 ILE HG21 H 1 0.21 0.03 . 1 . . . 1 77 ILE HG21 . 30139 1 734 . 1 1 77 77 ILE HG22 H 1 0.21 0.03 . 1 . . . 1 77 ILE HG22 . 30139 1 735 . 1 1 77 77 ILE HG23 H 1 0.21 0.03 . 1 . . . 1 77 ILE HG23 . 30139 1 736 . 1 1 77 77 ILE HD11 H 1 0.80 0.03 . 1 . . . 1 77 ILE HD11 . 30139 1 737 . 1 1 77 77 ILE HD12 H 1 0.80 0.03 . 1 . . . 1 77 ILE HD12 . 30139 1 738 . 1 1 77 77 ILE HD13 H 1 0.80 0.03 . 1 . . . 1 77 ILE HD13 . 30139 1 739 . 1 1 77 77 ILE C C 13 173.96 0.1 . 1 . . . 1 77 ILE C . 30139 1 740 . 1 1 77 77 ILE CA C 13 59.97 0.5 . 1 . . . 1 77 ILE CA . 30139 1 741 . 1 1 77 77 ILE CB C 13 40.71 0.5 . 1 . . . 1 77 ILE CB . 30139 1 742 . 1 1 77 77 ILE CG1 C 13 28.60 0.5 . 1 . . . 1 77 ILE CG1 . 30139 1 743 . 1 1 77 77 ILE CG2 C 13 17.80 0.5 . 1 . . . 1 77 ILE CG2 . 30139 1 744 . 1 1 77 77 ILE CD1 C 13 14.00 0.5 . 1 . . . 1 77 ILE CD1 . 30139 1 745 . 1 1 77 77 ILE N N 15 128.06 0.25 . 1 . . . 1 77 ILE N . 30139 1 746 . 1 1 78 78 GLN H H 1 9.03 0.03 . 1 . . . 1 78 GLN H . 30139 1 747 . 1 1 78 78 GLN HA H 1 4.74 0.03 . 1 . . . 1 78 GLN HA . 30139 1 748 . 1 1 78 78 GLN HB2 H 1 1.51 0.03 . 1 . . . 1 78 GLN HB2 . 30139 1 749 . 1 1 78 78 GLN HB3 H 1 2.02 0.03 . 1 . . . 1 78 GLN HB3 . 30139 1 750 . 1 1 78 78 GLN HG2 H 1 1.42 0.03 . 1 . . . 1 78 GLN HG2 . 30139 1 751 . 1 1 78 78 GLN HG3 H 1 2.29 0.03 . 1 . . . 1 78 GLN HG3 . 30139 1 752 . 1 1 78 78 GLN HE21 H 1 7.66 0.03 . 1 . . . 1 78 GLN HE21 . 30139 1 753 . 1 1 78 78 GLN HE22 H 1 7.10 0.03 . 1 . . . 1 78 GLN HE22 . 30139 1 754 . 1 1 78 78 GLN C C 13 175.39 0.1 . 1 . . . 1 78 GLN C . 30139 1 755 . 1 1 78 78 GLN CA C 13 54.69 0.5 . 1 . . . 1 78 GLN CA . 30139 1 756 . 1 1 78 78 GLN CB C 13 31.12 0.5 . 1 . . . 1 78 GLN CB . 30139 1 757 . 1 1 78 78 GLN CG C 13 34.07 0.5 . 1 . . . 1 78 GLN CG . 30139 1 758 . 1 1 78 78 GLN CD C 13 179.81 0.1 . 1 . . . 1 78 GLN CD . 30139 1 759 . 1 1 78 78 GLN N N 15 124.54 0.25 . 1 . . . 1 78 GLN N . 30139 1 760 . 1 1 78 78 GLN NE2 N 15 112.50 0.25 . 1 . . . 1 78 GLN NE2 . 30139 1 761 . 1 1 79 79 HIS H H 1 9.41 0.03 . 1 . . . 1 79 HIS H . 30139 1 762 . 1 1 79 79 HIS HA H 1 4.99 0.03 . 1 . . . 1 79 HIS HA . 30139 1 763 . 1 1 79 79 HIS HB2 H 1 3.48 0.03 . 2 . . . 1 79 HIS HB2 . 30139 1 764 . 1 1 79 79 HIS HB3 H 1 3.37 0.03 . 2 . . . 1 79 HIS HB3 . 30139 1 765 . 1 1 79 79 HIS HD1 H 1 10.99 0.03 . 1 . . . 1 79 HIS HD1 . 30139 1 766 . 1 1 79 79 HIS HD2 H 1 6.47 0.03 . 9 . . . 1 79 HIS HD2 . 30139 1 767 . 1 1 79 79 HIS HE1 H 1 7.21 0.03 . 1 . . . 1 79 HIS HE1 . 30139 1 768 . 1 1 79 79 HIS C C 13 176.61 0.1 . 1 . . . 1 79 HIS C . 30139 1 769 . 1 1 79 79 HIS CA C 13 55.81 0.5 . 1 . . . 1 79 HIS CA . 30139 1 770 . 1 1 79 79 HIS CB C 13 30.12 0.5 . 1 . . . 1 79 HIS CB . 30139 1 771 . 1 1 79 79 HIS N N 15 129.62 0.25 . 1 . . . 1 79 HIS N . 30139 1 772 . 1 1 79 79 HIS ND1 N 15 165.00 0.25 . 1 . . . 1 79 HIS ND1 . 30139 1 773 . 1 1 80 80 ALA H H 1 9.11 0.03 . 1 . . . 1 80 ALA H . 30139 1 774 . 1 1 80 80 ALA HA H 1 4.13 0.03 . 1 . . . 1 80 ALA HA . 30139 1 775 . 1 1 80 80 ALA HB1 H 1 1.52 0.03 . 1 . . . 1 80 ALA HB1 . 30139 1 776 . 1 1 80 80 ALA HB2 H 1 1.52 0.03 . 1 . . . 1 80 ALA HB2 . 30139 1 777 . 1 1 80 80 ALA HB3 H 1 1.52 0.03 . 1 . . . 1 80 ALA HB3 . 30139 1 778 . 1 1 80 80 ALA C C 13 178.04 0.1 . 1 . . . 1 80 ALA C . 30139 1 779 . 1 1 80 80 ALA CA C 13 55.69 0.5 . 1 . . . 1 80 ALA CA . 30139 1 780 . 1 1 80 80 ALA CB C 13 18.69 0.5 . 1 . . . 1 80 ALA CB . 30139 1 781 . 1 1 80 80 ALA N N 15 123.06 0.25 . 1 . . . 1 80 ALA N . 30139 1 782 . 1 1 81 81 ASP H H 1 8.01 0.03 . 1 . . . 1 81 ASP H . 30139 1 783 . 1 1 81 81 ASP HA H 1 4.51 0.03 . 1 . . . 1 81 ASP HA . 30139 1 784 . 1 1 81 81 ASP HB2 H 1 3.05 0.03 . 1 . . . 1 81 ASP HB2 . 30139 1 785 . 1 1 81 81 ASP HB3 H 1 2.58 0.03 . 1 . . . 1 81 ASP HB3 . 30139 1 786 . 1 1 81 81 ASP C C 13 176.79 0.1 . 1 . . . 1 81 ASP C . 30139 1 787 . 1 1 81 81 ASP CA C 13 53.02 0.5 . 1 . . . 1 81 ASP CA . 30139 1 788 . 1 1 81 81 ASP CB C 13 39.76 0.5 . 1 . . . 1 81 ASP CB . 30139 1 789 . 1 1 81 81 ASP N N 15 113.81 0.25 . 1 . . . 1 81 ASP N . 30139 1 790 . 1 1 82 82 GLY H H 1 8.03 0.03 . 1 . . . 1 82 GLY H . 30139 1 791 . 1 1 82 82 GLY HA2 H 1 4.31 0.03 . 2 . . . 1 82 GLY HA2 . 30139 1 792 . 1 1 82 82 GLY HA3 H 1 3.46 0.03 . 2 . . . 1 82 GLY HA3 . 30139 1 793 . 1 1 82 82 GLY C C 13 173.23 0.1 . 1 . . . 1 82 GLY C . 30139 1 794 . 1 1 82 82 GLY CA C 13 44.55 0.5 . 1 . . . 1 82 GLY CA . 30139 1 795 . 1 1 82 82 GLY N N 15 109.47 0.25 . 1 . . . 1 82 GLY N . 30139 1 796 . 1 1 83 83 MET H H 1 7.42 0.03 . 1 . . . 1 83 MET H . 30139 1 797 . 1 1 83 83 MET HA H 1 4.24 0.03 . 1 . . . 1 83 MET HA . 30139 1 798 . 1 1 83 83 MET HB2 H 1 2.42 0.03 . 1 . . . 1 83 MET HB2 . 30139 1 799 . 1 1 83 83 MET HB3 H 1 1.94 0.03 . 1 . . . 1 83 MET HB3 . 30139 1 800 . 1 1 83 83 MET HG2 H 1 2.56 0.03 . 2 . . . 1 83 MET HG2 . 30139 1 801 . 1 1 83 83 MET HE1 H 1 1.75 0.03 . 1 . . . 1 83 MET HE1 . 30139 1 802 . 1 1 83 83 MET HE2 H 1 1.75 0.03 . 1 . . . 1 83 MET HE2 . 30139 1 803 . 1 1 83 83 MET HE3 H 1 1.75 0.03 . 1 . . . 1 83 MET HE3 . 30139 1 804 . 1 1 83 83 MET C C 13 174.91 0.1 . 1 . . . 1 83 MET C . 30139 1 805 . 1 1 83 83 MET CA C 13 55.26 0.5 . 1 . . . 1 83 MET CA . 30139 1 806 . 1 1 83 83 MET CB C 13 32.12 0.5 . 1 . . . 1 83 MET CB . 30139 1 807 . 1 1 83 83 MET CG C 13 34.77 0.5 . 1 . . . 1 83 MET CG . 30139 1 808 . 1 1 83 83 MET CE C 13 16.45 0.5 . 1 . . . 1 83 MET CE . 30139 1 809 . 1 1 83 83 MET N N 15 118.06 0.25 . 1 . . . 1 83 MET N . 30139 1 810 . 1 1 84 84 HIS H H 1 9.58 0.03 . 1 . . . 1 84 HIS H . 30139 1 811 . 1 1 84 84 HIS HA H 1 6.15 0.03 . 1 . . . 1 84 HIS HA . 30139 1 812 . 1 1 84 84 HIS HB2 H 1 3.07 0.03 . 2 . . . 1 84 HIS HB2 . 30139 1 813 . 1 1 84 84 HIS HB3 H 1 3.20 0.03 . 2 . . . 1 84 HIS HB3 . 30139 1 814 . 1 1 84 84 HIS HD2 H 1 6.54 0.03 . 1 . . . 1 84 HIS HD2 . 30139 1 815 . 1 1 84 84 HIS C C 13 177.24 0.1 . 1 . . . 1 84 HIS C . 30139 1 816 . 1 1 84 84 HIS CA C 13 55.38 0.5 . 1 . . . 1 84 HIS CA . 30139 1 817 . 1 1 84 84 HIS CB C 13 31.42 0.5 . 1 . . . 1 84 HIS CB . 30139 1 818 . 1 1 84 84 HIS N N 15 120.43 0.25 . 1 . . . 1 84 HIS N . 30139 1 819 . 1 1 85 85 THR H H 1 9.35 0.03 . 1 . . . 1 85 THR H . 30139 1 820 . 1 1 85 85 THR HA H 1 5.05 0.03 . 1 . . . 1 85 THR HA . 30139 1 821 . 1 1 85 85 THR HB H 1 3.92 0.03 . 1 . . . 1 85 THR HB . 30139 1 822 . 1 1 85 85 THR HG21 H 1 1.20 0.03 . 1 . . . 1 85 THR HG21 . 30139 1 823 . 1 1 85 85 THR HG22 H 1 1.20 0.03 . 1 . . . 1 85 THR HG22 . 30139 1 824 . 1 1 85 85 THR HG23 H 1 1.20 0.03 . 1 . . . 1 85 THR HG23 . 30139 1 825 . 1 1 85 85 THR C C 13 172.84 0.1 . 1 . . . 1 85 THR C . 30139 1 826 . 1 1 85 85 THR CA C 13 59.30 0.5 . 1 . . . 1 85 THR CA . 30139 1 827 . 1 1 85 85 THR CB C 13 71.74 0.5 . 1 . . . 1 85 THR CB . 30139 1 828 . 1 1 85 85 THR CG2 C 13 16.10 0.5 . 1 . . . 1 85 THR CG2 . 30139 1 829 . 1 1 85 85 THR N N 15 110.60 0.25 . 1 . . . 1 85 THR N . 30139 1 830 . 1 1 86 86 GLY H H 1 8.40 0.03 . 1 . . . 1 86 GLY H . 30139 1 831 . 1 1 86 86 GLY HA2 H 1 5.66 0.03 . 2 . . . 1 86 GLY HA2 . 30139 1 832 . 1 1 86 86 GLY HA3 H 1 3.77 0.03 . 2 . . . 1 86 GLY HA3 . 30139 1 833 . 1 1 86 86 GLY C C 13 171.47 0.1 . 1 . . . 1 86 GLY C . 30139 1 834 . 1 1 86 86 GLY CA C 13 43.28 0.5 . 1 . . . 1 86 GLY CA . 30139 1 835 . 1 1 86 86 GLY N N 15 108.95 0.25 . 1 . . . 1 86 GLY N . 30139 1 836 . 1 1 87 87 TYR H H 1 8.47 0.03 . 1 . . . 1 87 TYR H . 30139 1 837 . 1 1 87 87 TYR HA H 1 5.28 0.03 . 1 . . . 1 87 TYR HA . 30139 1 838 . 1 1 87 87 TYR HB2 H 1 3.06 0.03 . 2 . . . 1 87 TYR HB2 . 30139 1 839 . 1 1 87 87 TYR HB3 H 1 2.79 0.03 . 2 . . . 1 87 TYR HB3 . 30139 1 840 . 1 1 87 87 TYR HD1 H 1 7.10 0.03 . 3 . . . 1 87 TYR HD1 . 30139 1 841 . 1 1 87 87 TYR HE1 H 1 6.93 0.03 . 3 . . . 1 87 TYR HE1 . 30139 1 842 . 1 1 87 87 TYR C C 13 175.06 0.1 . 1 . . . 1 87 TYR C . 30139 1 843 . 1 1 87 87 TYR CA C 13 56.32 0.5 . 1 . . . 1 87 TYR CA . 30139 1 844 . 1 1 87 87 TYR CB C 13 39.95 0.5 . 1 . . . 1 87 TYR CB . 30139 1 845 . 1 1 87 87 TYR N N 15 118.64 0.25 . 1 . . . 1 87 TYR N . 30139 1 846 . 1 1 88 88 ALA H H 1 9.01 0.03 . 1 . . . 1 88 ALA H . 30139 1 847 . 1 1 88 88 ALA HA H 1 5.48 0.03 . 1 . . . 1 88 ALA HA . 30139 1 848 . 1 1 88 88 ALA HB1 H 1 1.27 0.03 . 1 . . . 1 88 ALA HB1 . 30139 1 849 . 1 1 88 88 ALA HB2 H 1 1.27 0.03 . 1 . . . 1 88 ALA HB2 . 30139 1 850 . 1 1 88 88 ALA HB3 H 1 1.27 0.03 . 1 . . . 1 88 ALA HB3 . 30139 1 851 . 1 1 88 88 ALA C C 13 177.72 0.1 . 1 . . . 1 88 ALA C . 30139 1 852 . 1 1 88 88 ALA CA C 13 51.15 0.5 . 1 . . . 1 88 ALA CA . 30139 1 853 . 1 1 88 88 ALA CB C 13 22.53 0.5 . 1 . . . 1 88 ALA CB . 30139 1 854 . 1 1 88 88 ALA N N 15 123.62 0.25 . 1 . . . 1 88 ALA N . 30139 1 855 . 1 1 89 89 HIS H H 1 8.37 0.03 . 1 . . . 1 89 HIS H . 30139 1 856 . 1 1 89 89 HIS HA H 1 4.72 0.03 . 1 . . . 1 89 HIS HA . 30139 1 857 . 1 1 89 89 HIS HB2 H 1 3.76 0.03 . 2 . . . 1 89 HIS HB2 . 30139 1 858 . 1 1 89 89 HIS HD2 H 1 6.44 0.03 . 9 . . . 1 89 HIS HD2 . 30139 1 859 . 1 1 89 89 HIS HE1 H 1 7.34 0.03 . 9 . . . 1 89 HIS HE1 . 30139 1 860 . 1 1 89 89 HIS C C 13 175.38 0.1 . 1 . . . 1 89 HIS C . 30139 1 861 . 1 1 89 89 HIS N N 15 114.78 0.25 . 1 . . . 1 89 HIS N . 30139 1 862 . 1 1 90 90 LEU H H 1 8.51 0.03 . 1 . . . 1 90 LEU H . 30139 1 863 . 1 1 90 90 LEU HA H 1 4.40 0.03 . 1 . . . 1 90 LEU HA . 30139 1 864 . 1 1 90 90 LEU HB2 H 1 1.80 0.03 . 2 . . . 1 90 LEU HB2 . 30139 1 865 . 1 1 90 90 LEU HG H 1 1.30 0.03 . 1 . . . 1 90 LEU HG . 30139 1 866 . 1 1 90 90 LEU HD11 H 1 0.74 0.03 . 1 . . . 1 90 LEU HD11 . 30139 1 867 . 1 1 90 90 LEU HD12 H 1 0.74 0.03 . 1 . . . 1 90 LEU HD12 . 30139 1 868 . 1 1 90 90 LEU HD13 H 1 0.74 0.03 . 1 . . . 1 90 LEU HD13 . 30139 1 869 . 1 1 90 90 LEU HD21 H 1 0.65 0.03 . 1 . . . 1 90 LEU HD21 . 30139 1 870 . 1 1 90 90 LEU HD22 H 1 0.65 0.03 . 1 . . . 1 90 LEU HD22 . 30139 1 871 . 1 1 90 90 LEU HD23 H 1 0.65 0.03 . 1 . . . 1 90 LEU HD23 . 30139 1 872 . 1 1 90 90 LEU C C 13 179.40 0.1 . 1 . . . 1 90 LEU C . 30139 1 873 . 1 1 90 90 LEU CA C 13 55.97 0.5 . 1 . . . 1 90 LEU CA . 30139 1 874 . 1 1 90 90 LEU CB C 13 45.03 0.5 . 1 . . . 1 90 LEU CB . 30139 1 875 . 1 1 90 90 LEU CG C 13 25.53 0.5 . 1 . . . 1 90 LEU CG . 30139 1 876 . 1 1 90 90 LEU CD1 C 13 23.50 0.5 . 1 . . . 1 90 LEU CD1 . 30139 1 877 . 1 1 90 90 LEU CD2 C 13 23.20 0.5 . 1 . . . 1 90 LEU CD2 . 30139 1 878 . 1 1 90 90 LEU N N 15 115.68 0.25 . 1 . . . 1 90 LEU N . 30139 1 879 . 1 1 91 91 SER H H 1 9.30 0.03 . 1 . . . 1 91 SER H . 30139 1 880 . 1 1 91 91 SER HA H 1 4.56 0.03 . 1 . . . 1 91 SER HA . 30139 1 881 . 1 1 91 91 SER HB2 H 1 4.01 0.03 . 2 . . . 1 91 SER HB2 . 30139 1 882 . 1 1 91 91 SER C C 13 174.77 0.1 . 1 . . . 1 91 SER C . 30139 1 883 . 1 1 91 91 SER CA C 13 59.23 0.5 . 1 . . . 1 91 SER CA . 30139 1 884 . 1 1 91 91 SER CB C 13 63.83 0.5 . 1 . . . 1 91 SER CB . 30139 1 885 . 1 1 91 91 SER N N 15 115.61 0.25 . 1 . . . 1 91 SER N . 30139 1 886 . 1 1 92 92 LYS H H 1 7.35 0.03 . 1 . . . 1 92 LYS H . 30139 1 887 . 1 1 92 92 LYS HA H 1 4.58 0.03 . 1 . . . 1 92 LYS HA . 30139 1 888 . 1 1 92 92 LYS HB2 H 1 1.78 0.03 . 2 . . . 1 92 LYS HB2 . 30139 1 889 . 1 1 92 92 LYS HG2 H 1 1.41 0.03 . 1 . . . 1 92 LYS HG2 . 30139 1 890 . 1 1 92 92 LYS HG3 H 1 1.33 0.03 . 1 . . . 1 92 LYS HG3 . 30139 1 891 . 1 1 92 92 LYS HD2 H 1 1.52 0.03 . 2 . . . 1 92 LYS HD2 . 30139 1 892 . 1 1 92 92 LYS HE2 H 1 2.78 0.03 . 2 . . . 1 92 LYS HE2 . 30139 1 893 . 1 1 92 92 LYS C C 13 173.71 0.1 . 1 . . . 1 92 LYS C . 30139 1 894 . 1 1 92 92 LYS CA C 13 55.45 0.5 . 1 . . . 1 92 LYS CA . 30139 1 895 . 1 1 92 92 LYS CB C 13 36.37 0.5 . 1 . . . 1 92 LYS CB . 30139 1 896 . 1 1 92 92 LYS CG C 13 24.86 0.5 . 1 . . . 1 92 LYS CG . 30139 1 897 . 1 1 92 92 LYS CD C 13 29.36 0.5 . 1 . . . 1 92 LYS CD . 30139 1 898 . 1 1 92 92 LYS CE C 13 42.01 0.5 . 1 . . . 1 92 LYS CE . 30139 1 899 . 1 1 92 92 LYS N N 15 121.53 0.25 . 1 . . . 1 92 LYS N . 30139 1 900 . 1 1 93 93 ILE H H 1 8.86 0.03 . 1 . . . 1 93 ILE H . 30139 1 901 . 1 1 93 93 ILE HA H 1 4.43 0.03 . 1 . . . 1 93 ILE HA . 30139 1 902 . 1 1 93 93 ILE HB H 1 1.70 0.03 . 1 . . . 1 93 ILE HB . 30139 1 903 . 1 1 93 93 ILE HG12 H 1 1.37 0.03 . 2 . . . 1 93 ILE HG12 . 30139 1 904 . 1 1 93 93 ILE HG13 H 1 0.73 0.03 . 2 . . . 1 93 ILE HG13 . 30139 1 905 . 1 1 93 93 ILE HG21 H 1 0.61 0.03 . 1 . . . 1 93 ILE HG21 . 30139 1 906 . 1 1 93 93 ILE HG22 H 1 0.61 0.03 . 1 . . . 1 93 ILE HG22 . 30139 1 907 . 1 1 93 93 ILE HG23 H 1 0.61 0.03 . 1 . . . 1 93 ILE HG23 . 30139 1 908 . 1 1 93 93 ILE HD11 H 1 0.73 0.03 . 1 . . . 1 93 ILE HD11 . 30139 1 909 . 1 1 93 93 ILE HD12 H 1 0.73 0.03 . 1 . . . 1 93 ILE HD12 . 30139 1 910 . 1 1 93 93 ILE HD13 H 1 0.73 0.03 . 1 . . . 1 93 ILE HD13 . 30139 1 911 . 1 1 93 93 ILE C C 13 176.16 0.1 . 1 . . . 1 93 ILE C . 30139 1 912 . 1 1 93 93 ILE CA C 13 61.27 0.5 . 1 . . . 1 93 ILE CA . 30139 1 913 . 1 1 93 93 ILE CB C 13 40.31 0.5 . 1 . . . 1 93 ILE CB . 30139 1 914 . 1 1 93 93 ILE CG1 C 13 27.49 0.5 . 1 . . . 1 93 ILE CG1 . 30139 1 915 . 1 1 93 93 ILE CG2 C 13 19.04 0.5 . 1 . . . 1 93 ILE CG2 . 30139 1 916 . 1 1 93 93 ILE CD1 C 13 14.00 0.5 . 1 . . . 1 93 ILE CD1 . 30139 1 917 . 1 1 93 93 ILE N N 15 123.94 0.25 . 1 . . . 1 93 ILE N . 30139 1 918 . 1 1 94 94 SER H H 1 8.63 0.03 . 1 . . . 1 94 SER H . 30139 1 919 . 1 1 94 94 SER HA H 1 4.75 0.03 . 1 . . . 1 94 SER HA . 30139 1 920 . 1 1 94 94 SER HB2 H 1 3.97 0.03 . 1 . . . 1 94 SER HB2 . 30139 1 921 . 1 1 94 94 SER HB3 H 1 3.34 0.03 . 1 . . . 1 94 SER HB3 . 30139 1 922 . 1 1 94 94 SER C C 13 173.30 0.1 . 1 . . . 1 94 SER C . 30139 1 923 . 1 1 94 94 SER CA C 13 58.78 0.5 . 1 . . . 1 94 SER CA . 30139 1 924 . 1 1 94 94 SER CB C 13 64.50 0.5 . 1 . . . 1 94 SER CB . 30139 1 925 . 1 1 94 94 SER N N 15 122.02 0.25 . 1 . . . 1 94 SER N . 30139 1 926 . 1 1 95 95 VAL H H 1 6.87 0.03 . 1 . . . 1 95 VAL H . 30139 1 927 . 1 1 95 95 VAL HA H 1 4.77 0.03 . 1 . . . 1 95 VAL HA . 30139 1 928 . 1 1 95 95 VAL HB H 1 2.04 0.03 . 1 . . . 1 95 VAL HB . 30139 1 929 . 1 1 95 95 VAL HG11 H 1 0.86 0.03 . 1 . . . 1 95 VAL HG11 . 30139 1 930 . 1 1 95 95 VAL HG12 H 1 0.86 0.03 . 1 . . . 1 95 VAL HG12 . 30139 1 931 . 1 1 95 95 VAL HG13 H 1 0.86 0.03 . 1 . . . 1 95 VAL HG13 . 30139 1 932 . 1 1 95 95 VAL HG21 H 1 1.00 0.03 . 1 . . . 1 95 VAL HG21 . 30139 1 933 . 1 1 95 95 VAL HG22 H 1 1.00 0.03 . 1 . . . 1 95 VAL HG22 . 30139 1 934 . 1 1 95 95 VAL HG23 H 1 1.00 0.03 . 1 . . . 1 95 VAL HG23 . 30139 1 935 . 1 1 95 95 VAL C C 13 173.68 0.1 . 1 . . . 1 95 VAL C . 30139 1 936 . 1 1 95 95 VAL CA C 13 58.86 0.5 . 1 . . . 1 95 VAL CA . 30139 1 937 . 1 1 95 95 VAL CB C 13 35.27 0.5 . 1 . . . 1 95 VAL CB . 30139 1 938 . 1 1 95 95 VAL CG1 C 13 22.69 0.5 . 1 . . . 1 95 VAL CG1 . 30139 1 939 . 1 1 95 95 VAL CG2 C 13 19.60 0.5 . 1 . . . 1 95 VAL CG2 . 30139 1 940 . 1 1 95 95 VAL N N 15 111.64 0.25 . 1 . . . 1 95 VAL N . 30139 1 941 . 1 1 96 96 SER H H 1 7.72 0.03 . 1 . . . 1 96 SER H . 30139 1 942 . 1 1 96 96 SER HA H 1 4.82 0.03 . 1 . . . 1 96 SER HA . 30139 1 943 . 1 1 96 96 SER HB2 H 1 3.81 0.03 . 2 . . . 1 96 SER HB2 . 30139 1 944 . 1 1 96 96 SER HB3 H 1 3.76 0.03 . 2 . . . 1 96 SER HB3 . 30139 1 945 . 1 1 96 96 SER C C 13 174.57 0.1 . 1 . . . 1 96 SER C . 30139 1 946 . 1 1 96 96 SER CA C 13 56.24 0.5 . 1 . . . 1 96 SER CA . 30139 1 947 . 1 1 96 96 SER CB C 13 66.06 0.5 . 1 . . . 1 96 SER CB . 30139 1 948 . 1 1 96 96 SER N N 15 112.13 0.25 . 1 . . . 1 96 SER N . 30139 1 949 . 1 1 97 97 THR H H 1 8.84 0.03 . 1 . . . 1 97 THR H . 30139 1 950 . 1 1 97 97 THR HA H 1 3.34 0.03 . 1 . . . 1 97 THR HA . 30139 1 951 . 1 1 97 97 THR HB H 1 3.92 0.03 . 1 . . . 1 97 THR HB . 30139 1 952 . 1 1 97 97 THR HG21 H 1 1.22 0.03 . 1 . . . 1 97 THR HG21 . 30139 1 953 . 1 1 97 97 THR HG22 H 1 1.22 0.03 . 1 . . . 1 97 THR HG22 . 30139 1 954 . 1 1 97 97 THR HG23 H 1 1.22 0.03 . 1 . . . 1 97 THR HG23 . 30139 1 955 . 1 1 97 97 THR C C 13 174.02 0.1 . 1 . . . 1 97 THR C . 30139 1 956 . 1 1 97 97 THR CA C 13 66.47 0.5 . 1 . . . 1 97 THR CA . 30139 1 957 . 1 1 97 97 THR CB C 13 69.03 0.5 . 1 . . . 1 97 THR CB . 30139 1 958 . 1 1 97 97 THR CG2 C 13 23.30 0.5 . 1 . . . 1 97 THR CG2 . 30139 1 959 . 1 1 97 97 THR N N 15 121.64 0.25 . 1 . . . 1 97 THR N . 30139 1 960 . 1 1 98 98 ASP H H 1 9.09 0.03 . 1 . . . 1 98 ASP H . 30139 1 961 . 1 1 98 98 ASP HA H 1 4.33 0.03 . 1 . . . 1 98 ASP HA . 30139 1 962 . 1 1 98 98 ASP HB2 H 1 3.14 0.03 . 2 . . . 1 98 ASP HB2 . 30139 1 963 . 1 1 98 98 ASP HB3 H 1 2.89 0.03 . 2 . . . 1 98 ASP HB3 . 30139 1 964 . 1 1 98 98 ASP C C 13 175.54 0.1 . 1 . . . 1 98 ASP C . 30139 1 965 . 1 1 98 98 ASP CA C 13 57.34 0.5 . 1 . . . 1 98 ASP CA . 30139 1 966 . 1 1 98 98 ASP CB C 13 38.80 0.5 . 1 . . . 1 98 ASP CB . 30139 1 967 . 1 1 98 98 ASP N N 15 121.50 0.25 . 1 . . . 1 98 ASP N . 30139 1 968 . 1 1 99 99 SER H H 1 7.86 0.03 . 1 . . . 1 99 SER H . 30139 1 969 . 1 1 99 99 SER HA H 1 4.60 0.03 . 1 . . . 1 99 SER HA . 30139 1 970 . 1 1 99 99 SER HB2 H 1 3.98 0.03 . 2 . . . 1 99 SER HB2 . 30139 1 971 . 1 1 99 99 SER HB3 H 1 3.93 0.03 . 2 . . . 1 99 SER HB3 . 30139 1 972 . 1 1 99 99 SER C C 13 173.32 0.1 . 1 . . . 1 99 SER C . 30139 1 973 . 1 1 99 99 SER CA C 13 59.15 0.5 . 1 . . . 1 99 SER CA . 30139 1 974 . 1 1 99 99 SER CB C 13 64.65 0.5 . 1 . . . 1 99 SER CB . 30139 1 975 . 1 1 99 99 SER N N 15 115.13 0.25 . 1 . . . 1 99 SER N . 30139 1 976 . 1 1 100 100 THR H H 1 8.70 0.03 . 1 . . . 1 100 THR H . 30139 1 977 . 1 1 100 100 THR HA H 1 4.87 0.03 . 1 . . . 1 100 THR HA . 30139 1 978 . 1 1 100 100 THR HB H 1 4.17 0.03 . 1 . . . 1 100 THR HB . 30139 1 979 . 1 1 100 100 THR HG21 H 1 1.20 0.03 . 1 . . . 1 100 THR HG21 . 30139 1 980 . 1 1 100 100 THR HG22 H 1 1.20 0.03 . 1 . . . 1 100 THR HG22 . 30139 1 981 . 1 1 100 100 THR HG23 H 1 1.20 0.03 . 1 . . . 1 100 THR HG23 . 30139 1 982 . 1 1 100 100 THR C C 13 174.48 0.1 . 1 . . . 1 100 THR C . 30139 1 983 . 1 1 100 100 THR CA C 13 62.01 0.5 . 1 . . . 1 100 THR CA . 30139 1 984 . 1 1 100 100 THR CB C 13 70.12 0.5 . 1 . . . 1 100 THR CB . 30139 1 985 . 1 1 100 100 THR CG2 C 13 21.60 0.5 . 1 . . . 1 100 THR CG2 . 30139 1 986 . 1 1 100 100 THR N N 15 116.17 0.25 . 1 . . . 1 100 THR N . 30139 1 987 . 1 1 101 101 VAL H H 1 8.88 0.03 . 1 . . . 1 101 VAL H . 30139 1 988 . 1 1 101 101 VAL HA H 1 4.95 0.03 . 1 . . . 1 101 VAL HA . 30139 1 989 . 1 1 101 101 VAL HB H 1 1.63 0.03 . 1 . . . 1 101 VAL HB . 30139 1 990 . 1 1 101 101 VAL HG11 H 1 0.63 0.03 . 1 . . . 1 101 VAL HG11 . 30139 1 991 . 1 1 101 101 VAL HG12 H 1 0.63 0.03 . 1 . . . 1 101 VAL HG12 . 30139 1 992 . 1 1 101 101 VAL HG13 H 1 0.63 0.03 . 1 . . . 1 101 VAL HG13 . 30139 1 993 . 1 1 101 101 VAL HG21 H 1 0.57 0.03 . 1 . . . 1 101 VAL HG21 . 30139 1 994 . 1 1 101 101 VAL HG22 H 1 0.57 0.03 . 1 . . . 1 101 VAL HG22 . 30139 1 995 . 1 1 101 101 VAL HG23 H 1 0.57 0.03 . 1 . . . 1 101 VAL HG23 . 30139 1 996 . 1 1 101 101 VAL C C 13 175.36 0.1 . 1 . . . 1 101 VAL C . 30139 1 997 . 1 1 101 101 VAL CA C 13 57.89 0.5 . 1 . . . 1 101 VAL CA . 30139 1 998 . 1 1 101 101 VAL CB C 13 35.45 0.5 . 1 . . . 1 101 VAL CB . 30139 1 999 . 1 1 101 101 VAL CG1 C 13 22.59 0.5 . 1 . . . 1 101 VAL CG1 . 30139 1 1000 . 1 1 101 101 VAL CG2 C 13 18.83 0.5 . 1 . . . 1 101 VAL CG2 . 30139 1 1001 . 1 1 101 101 VAL N N 15 116.83 0.25 . 1 . . . 1 101 VAL N . 30139 1 1002 . 1 1 102 102 LYS H H 1 8.08 0.03 . 1 . . . 1 102 LYS H . 30139 1 1003 . 1 1 102 102 LYS HA H 1 4.77 0.03 . 1 . . . 1 102 LYS HA . 30139 1 1004 . 1 1 102 102 LYS HB2 H 1 1.82 0.03 . 1 . . . 1 102 LYS HB2 . 30139 1 1005 . 1 1 102 102 LYS HB3 H 1 1.52 0.03 . 1 . . . 1 102 LYS HB3 . 30139 1 1006 . 1 1 102 102 LYS HG2 H 1 1.39 0.03 . 1 . . . 1 102 LYS HG2 . 30139 1 1007 . 1 1 102 102 LYS HG3 H 1 1.48 0.03 . 1 . . . 1 102 LYS HG3 . 30139 1 1008 . 1 1 102 102 LYS HD2 H 1 1.65 0.03 . 2 . . . 1 102 LYS HD2 . 30139 1 1009 . 1 1 102 102 LYS HE2 H 1 2.97 0.03 . 2 . . . 1 102 LYS HE2 . 30139 1 1010 . 1 1 102 102 LYS C C 13 175.78 0.1 . 1 . . . 1 102 LYS C . 30139 1 1011 . 1 1 102 102 LYS CA C 13 53.40 0.5 . 1 . . . 1 102 LYS CA . 30139 1 1012 . 1 1 102 102 LYS CB C 13 35.15 0.5 . 1 . . . 1 102 LYS CB . 30139 1 1013 . 1 1 102 102 LYS CG C 13 25.19 0.5 . 1 . . . 1 102 LYS CG . 30139 1 1014 . 1 1 102 102 LYS CD C 13 29.12 0.5 . 1 . . . 1 102 LYS CD . 30139 1 1015 . 1 1 102 102 LYS CE C 13 42.06 0.5 . 1 . . . 1 102 LYS CE . 30139 1 1016 . 1 1 102 102 LYS N N 15 122.93 0.5 . 1 . . . 1 102 LYS N . 30139 1 1017 . 1 1 103 103 GLN H H 1 8.62 0.03 . 1 . . . 1 103 GLN H . 30139 1 1018 . 1 1 103 103 GLN HA H 1 2.91 0.03 . 1 . . . 1 103 GLN HA . 30139 1 1019 . 1 1 103 103 GLN HB2 H 1 1.97 0.03 . 2 . . . 1 103 GLN HB2 . 30139 1 1020 . 1 1 103 103 GLN HG2 H 1 1.18 0.03 . 2 . . . 1 103 GLN HG2 . 30139 1 1021 . 1 1 103 103 GLN HE21 H 1 7.77 0.03 . 1 . . . 1 103 GLN HE21 . 30139 1 1022 . 1 1 103 103 GLN HE22 H 1 6.80 0.03 . 1 . . . 1 103 GLN HE22 . 30139 1 1023 . 1 1 103 103 GLN C C 13 175.11 0.1 . 1 . . . 1 103 GLN C . 30139 1 1024 . 1 1 103 103 GLN CA C 13 58.59 0.5 . 1 . . . 1 103 GLN CA . 30139 1 1025 . 1 1 103 103 GLN CB C 13 29.67 0.5 . 1 . . . 1 103 GLN CB . 30139 1 1026 . 1 1 103 103 GLN CG C 13 35.61 0.5 . 1 . . . 1 103 GLN CG . 30139 1 1027 . 1 1 103 103 GLN CD C 13 180.00 0.1 . 1 . . . 1 103 GLN CD . 30139 1 1028 . 1 1 103 103 GLN N N 15 120.31 0.25 . 1 . . . 1 103 GLN N . 30139 1 1029 . 1 1 103 103 GLN NE2 N 15 114.60 0.25 . 1 . . . 1 103 GLN NE2 . 30139 1 1030 . 1 1 104 104 GLY H H 1 8.11 0.03 . 1 . . . 1 104 GLY H . 30139 1 1031 . 1 1 104 104 GLY HA2 H 1 2.60 0.03 . 1 . . . 1 104 GLY HA2 . 30139 1 1032 . 1 1 104 104 GLY HA3 H 1 2.05 0.03 . 1 . . . 1 104 GLY HA3 . 30139 1 1033 . 1 1 104 104 GLY C C 13 172.45 0.1 . 1 . . . 1 104 GLY C . 30139 1 1034 . 1 1 104 104 GLY CA C 13 43.69 0.5 . 1 . . . 1 104 GLY CA . 30139 1 1035 . 1 1 104 104 GLY N N 15 113.75 0.25 . 1 . . . 1 104 GLY N . 30139 1 1036 . 1 1 105 105 GLN H H 1 7.91 0.03 . 1 . . . 1 105 GLN H . 30139 1 1037 . 1 1 105 105 GLN HA H 1 3.82 0.03 . 1 . . . 1 105 GLN HA . 30139 1 1038 . 1 1 105 105 GLN HB2 H 1 1.68 0.03 . 1 . . . 1 105 GLN HB2 . 30139 1 1039 . 1 1 105 105 GLN HB3 H 1 2.05 0.03 . 1 . . . 1 105 GLN HB3 . 30139 1 1040 . 1 1 105 105 GLN HG2 H 1 2.35 0.03 . 2 . . . 1 105 GLN HG2 . 30139 1 1041 . 1 1 105 105 GLN HE21 H 1 7.44 0.03 . 1 . . . 1 105 GLN HE21 . 30139 1 1042 . 1 1 105 105 GLN HE22 H 1 7.24 0.03 . 1 . . . 1 105 GLN HE22 . 30139 1 1043 . 1 1 105 105 GLN C C 13 175.56 0.1 . 1 . . . 1 105 GLN C . 30139 1 1044 . 1 1 105 105 GLN CA C 13 56.01 0.5 . 1 . . . 1 105 GLN CA . 30139 1 1045 . 1 1 105 105 GLN CB C 13 29.78 0.5 . 1 . . . 1 105 GLN CB . 30139 1 1046 . 1 1 105 105 GLN CG C 13 32.85 0.5 . 1 . . . 1 105 GLN CG . 30139 1 1047 . 1 1 105 105 GLN CD C 13 179.45 0.1 . 1 . . . 1 105 GLN CD . 30139 1 1048 . 1 1 105 105 GLN N N 15 122.54 0.25 . 1 . . . 1 105 GLN N . 30139 1 1049 . 1 1 105 105 GLN NE2 N 15 110.50 0.25 . 1 . . . 1 105 GLN NE2 . 30139 1 1050 . 1 1 106 106 ILE H H 1 8.52 0.03 . 1 . . . 1 106 ILE H . 30139 1 1051 . 1 1 106 106 ILE HA H 1 4.32 0.03 . 1 . . . 1 106 ILE HA . 30139 1 1052 . 1 1 106 106 ILE HB H 1 1.66 0.03 . 1 . . . 1 106 ILE HB . 30139 1 1053 . 1 1 106 106 ILE HG12 H 1 0.76 0.03 . 2 . . . 1 106 ILE HG12 . 30139 1 1054 . 1 1 106 106 ILE HG13 H 1 0.74 0.03 . 2 . . . 1 106 ILE HG13 . 30139 1 1055 . 1 1 106 106 ILE HG21 H 1 0.65 0.03 . 1 . . . 1 106 ILE HG21 . 30139 1 1056 . 1 1 106 106 ILE HG22 H 1 0.65 0.03 . 1 . . . 1 106 ILE HG22 . 30139 1 1057 . 1 1 106 106 ILE HG23 H 1 0.65 0.03 . 1 . . . 1 106 ILE HG23 . 30139 1 1058 . 1 1 106 106 ILE HD11 H 1 0.83 0.03 . 1 . . . 1 106 ILE HD11 . 30139 1 1059 . 1 1 106 106 ILE HD12 H 1 0.83 0.03 . 1 . . . 1 106 ILE HD12 . 30139 1 1060 . 1 1 106 106 ILE HD13 H 1 0.83 0.03 . 1 . . . 1 106 ILE HD13 . 30139 1 1061 . 1 1 106 106 ILE C C 13 177.13 0.1 . 1 . . . 1 106 ILE C . 30139 1 1062 . 1 1 106 106 ILE CA C 13 61.79 0.5 . 1 . . . 1 106 ILE CA . 30139 1 1063 . 1 1 106 106 ILE CB C 13 37.07 0.5 . 1 . . . 1 106 ILE CB . 30139 1 1064 . 1 1 106 106 ILE CG1 C 13 27.42 0.5 . 1 . . . 1 106 ILE CG1 . 30139 1 1065 . 1 1 106 106 ILE CG2 C 13 17.01 0.5 . 1 . . . 1 106 ILE CG2 . 30139 1 1066 . 1 1 106 106 ILE CD1 C 13 12.70 0.5 . 1 . . . 1 106 ILE CD1 . 30139 1 1067 . 1 1 106 106 ILE N N 15 125.78 0.25 . 1 . . . 1 106 ILE N . 30139 1 1068 . 1 1 107 107 ILE H H 1 8.72 0.03 . 1 . . . 1 107 ILE H . 30139 1 1069 . 1 1 107 107 ILE HA H 1 4.34 0.03 . 1 . . . 1 107 ILE HA . 30139 1 1070 . 1 1 107 107 ILE HB H 1 1.76 0.03 . 1 . . . 1 107 ILE HB . 30139 1 1071 . 1 1 107 107 ILE HG12 H 1 0.60 0.03 . 2 . . . 1 107 ILE HG12 . 30139 1 1072 . 1 1 107 107 ILE HG13 H 1 0.40 0.03 . 2 . . . 1 107 ILE HG13 . 30139 1 1073 . 1 1 107 107 ILE HG21 H 1 0.56 0.03 . 1 . . . 1 107 ILE HG21 . 30139 1 1074 . 1 1 107 107 ILE HG22 H 1 0.56 0.03 . 1 . . . 1 107 ILE HG22 . 30139 1 1075 . 1 1 107 107 ILE HG23 H 1 0.56 0.03 . 1 . . . 1 107 ILE HG23 . 30139 1 1076 . 1 1 107 107 ILE HD11 H 1 -0.24 0.03 . 1 . . . 1 107 ILE HD11 . 30139 1 1077 . 1 1 107 107 ILE HD12 H 1 -0.24 0.03 . 1 . . . 1 107 ILE HD12 . 30139 1 1078 . 1 1 107 107 ILE HD13 H 1 -0.24 0.03 . 1 . . . 1 107 ILE HD13 . 30139 1 1079 . 1 1 107 107 ILE C C 13 175.46 0.1 . 1 . . . 1 107 ILE C . 30139 1 1080 . 1 1 107 107 ILE CA C 13 60.54 0.5 . 1 . . . 1 107 ILE CA . 30139 1 1081 . 1 1 107 107 ILE CB C 13 38.48 0.5 . 1 . . . 1 107 ILE CB . 30139 1 1082 . 1 1 107 107 ILE CG1 C 13 25.37 0.5 . 1 . . . 1 107 ILE CG1 . 30139 1 1083 . 1 1 107 107 ILE CG2 C 13 18.87 0.5 . 1 . . . 1 107 ILE CG2 . 30139 1 1084 . 1 1 107 107 ILE CD1 C 13 12.80 0.5 . 1 . . . 1 107 ILE CD1 . 30139 1 1085 . 1 1 107 107 ILE N N 15 120.89 0.25 . 1 . . . 1 107 ILE N . 30139 1 1086 . 1 1 108 108 GLY H H 1 7.43 0.03 . 1 . . . 1 108 GLY H . 30139 1 1087 . 1 1 108 108 GLY HA2 H 1 4.24 0.03 . 2 . . . 1 108 GLY HA2 . 30139 1 1088 . 1 1 108 108 GLY HA3 H 1 3.78 0.03 . 2 . . . 1 108 GLY HA3 . 30139 1 1089 . 1 1 108 108 GLY C C 13 168.87 0.1 . 1 . . . 1 108 GLY C . 30139 1 1090 . 1 1 108 108 GLY CA C 13 45.34 0.5 . 1 . . . 1 108 GLY CA . 30139 1 1091 . 1 1 108 108 GLY N N 15 109.55 0.25 . 1 . . . 1 108 GLY N . 30139 1 1092 . 1 1 109 109 TYR H H 1 8.54 0.03 . 1 . . . 1 109 TYR H . 30139 1 1093 . 1 1 109 109 TYR HA H 1 5.29 0.03 . 1 . . . 1 109 TYR HA . 30139 1 1094 . 1 1 109 109 TYR HB2 H 1 2.57 0.03 . 2 . . . 1 109 TYR HB2 . 30139 1 1095 . 1 1 109 109 TYR HD1 H 1 6.80 0.03 . 3 . . . 1 109 TYR HD1 . 30139 1 1096 . 1 1 109 109 TYR HE1 H 1 6.60 0.03 . 3 . . . 1 109 TYR HE1 . 30139 1 1097 . 1 1 109 109 TYR C C 13 176.39 0.1 . 1 . . . 1 109 TYR C . 30139 1 1098 . 1 1 109 109 TYR CA C 13 55.93 0.5 . 1 . . . 1 109 TYR CA . 30139 1 1099 . 1 1 109 109 TYR CB C 13 42.05 0.5 . 1 . . . 1 109 TYR CB . 30139 1 1100 . 1 1 109 109 TYR N N 15 116.62 0.25 . 1 . . . 1 109 TYR N . 30139 1 1101 . 1 1 110 110 THR H H 1 10.11 0.03 . 1 . . . 1 110 THR H . 30139 1 1102 . 1 1 110 110 THR HA H 1 4.57 0.03 . 1 . . . 1 110 THR HA . 30139 1 1103 . 1 1 110 110 THR HB H 1 4.57 0.03 . 1 . . . 1 110 THR HB . 30139 1 1104 . 1 1 110 110 THR HG21 H 1 1.00 0.03 . 1 . . . 1 110 THR HG21 . 30139 1 1105 . 1 1 110 110 THR HG22 H 1 1.00 0.03 . 1 . . . 1 110 THR HG22 . 30139 1 1106 . 1 1 110 110 THR HG23 H 1 1.00 0.03 . 1 . . . 1 110 THR HG23 . 30139 1 1107 . 1 1 110 110 THR C C 13 177.51 0.1 . 1 . . . 1 110 THR C . 30139 1 1108 . 1 1 110 110 THR CA C 13 63.28 0.5 . 1 . . . 1 110 THR CA . 30139 1 1109 . 1 1 110 110 THR CB C 13 70.47 0.5 . 1 . . . 1 110 THR CB . 30139 1 1110 . 1 1 110 110 THR CG2 C 13 18.70 0.5 . 1 . . . 1 110 THR CG2 . 30139 1 1111 . 1 1 110 110 THR N N 15 116.62 0.25 . 1 . . . 1 110 THR N . 30139 1 1112 . 1 1 111 111 GLY H H 1 8.96 0.03 . 1 . . . 1 111 GLY H . 30139 1 1113 . 1 1 111 111 GLY HA2 H 1 4.64 0.03 . 2 . . . 1 111 GLY HA2 . 30139 1 1114 . 1 1 111 111 GLY HA3 H 1 4.08 0.03 . 2 . . . 1 111 GLY HA3 . 30139 1 1115 . 1 1 111 111 GLY C C 13 171.58 0.1 . 1 . . . 1 111 GLY C . 30139 1 1116 . 1 1 111 111 GLY CA C 13 48.10 0.5 . 1 . . . 1 111 GLY CA . 30139 1 1117 . 1 1 111 111 GLY N N 15 116.40 0.25 . 1 . . . 1 111 GLY N . 30139 1 1118 . 1 1 112 112 ALA H H 1 8.97 0.03 . 1 . . . 1 112 ALA H . 30139 1 1119 . 1 1 112 112 ALA HA H 1 4.82 0.03 . 1 . . . 1 112 ALA HA . 30139 1 1120 . 1 1 112 112 ALA HB1 H 1 1.31 0.03 . 1 . . . 1 112 ALA HB1 . 30139 1 1121 . 1 1 112 112 ALA HB2 H 1 1.31 0.03 . 1 . . . 1 112 ALA HB2 . 30139 1 1122 . 1 1 112 112 ALA HB3 H 1 1.31 0.03 . 1 . . . 1 112 ALA HB3 . 30139 1 1123 . 1 1 112 112 ALA C C 13 176.53 0.1 . 1 . . . 1 112 ALA C . 30139 1 1124 . 1 1 112 112 ALA CA C 13 50.02 0.5 . 1 . . . 1 112 ALA CA . 30139 1 1125 . 1 1 112 112 ALA CB C 13 19.77 0.5 . 1 . . . 1 112 ALA CB . 30139 1 1126 . 1 1 112 112 ALA N N 15 126.03 0.25 . 1 . . . 1 112 ALA N . 30139 1 1127 . 1 1 113 113 THR H H 1 7.77 0.03 . 1 . . . 1 113 THR H . 30139 1 1128 . 1 1 113 113 THR HA H 1 4.40 0.03 . 1 . . . 1 113 THR HA . 30139 1 1129 . 1 1 113 113 THR HB H 1 3.87 0.03 . 1 . . . 1 113 THR HB . 30139 1 1130 . 1 1 113 113 THR HG21 H 1 1.13 0.03 . 1 . . . 1 113 THR HG21 . 30139 1 1131 . 1 1 113 113 THR HG22 H 1 1.13 0.03 . 1 . . . 1 113 THR HG22 . 30139 1 1132 . 1 1 113 113 THR HG23 H 1 1.13 0.03 . 1 . . . 1 113 THR HG23 . 30139 1 1133 . 1 1 113 113 THR C C 13 175.10 0.1 . 1 . . . 1 113 THR C . 30139 1 1134 . 1 1 113 113 THR CA C 13 62.01 0.5 . 1 . . . 1 113 THR CA . 30139 1 1135 . 1 1 113 113 THR CB C 13 71.53 0.5 . 1 . . . 1 113 THR CB . 30139 1 1136 . 1 1 113 113 THR CG2 C 13 18.80 0.5 . 1 . . . 1 113 THR CG2 . 30139 1 1137 . 1 1 113 113 THR N N 15 109.55 0.25 . 1 . . . 1 113 THR N . 30139 1 1138 . 1 1 114 114 GLY H H 1 7.51 0.03 . 1 . . . 1 114 GLY H . 30139 1 1139 . 1 1 114 114 GLY HA2 H 1 4.30 0.03 . 2 . . . 1 114 GLY HA2 . 30139 1 1140 . 1 1 114 114 GLY HA3 H 1 3.88 0.03 . 2 . . . 1 114 GLY HA3 . 30139 1 1141 . 1 1 114 114 GLY C C 13 170.87 0.1 . 1 . . . 1 114 GLY C . 30139 1 1142 . 1 1 114 114 GLY CA C 13 44.11 0.5 . 1 . . . 1 114 GLY CA . 30139 1 1143 . 1 1 114 114 GLY N N 15 109.18 0.25 . 1 . . . 1 114 GLY N . 30139 1 1144 . 1 1 115 115 GLN H H 1 7.81 0.03 . 1 . . . 1 115 GLN H . 30139 1 1145 . 1 1 115 115 GLN HA H 1 4.18 0.03 . 1 . . . 1 115 GLN HA . 30139 1 1146 . 1 1 115 115 GLN HB2 H 1 1.67 0.03 . 2 . . . 1 115 GLN HB2 . 30139 1 1147 . 1 1 115 115 GLN HB3 H 1 1.82 0.03 . 2 . . . 1 115 GLN HB3 . 30139 1 1148 . 1 1 115 115 GLN HG2 H 1 2.13 0.03 . 2 . . . 1 115 GLN HG2 . 30139 1 1149 . 1 1 115 115 GLN HE21 H 1 7.52 0.03 . 1 . . . 1 115 GLN HE21 . 30139 1 1150 . 1 1 115 115 GLN HE22 H 1 6.80 0.03 . 1 . . . 1 115 GLN HE22 . 30139 1 1151 . 1 1 115 115 GLN C C 13 175.91 0.1 . 1 . . . 1 115 GLN C . 30139 1 1152 . 1 1 115 115 GLN CA C 13 55.46 0.5 . 1 . . . 1 115 GLN CA . 30139 1 1153 . 1 1 115 115 GLN CB C 13 29.60 0.5 . 1 . . . 1 115 GLN CB . 30139 1 1154 . 1 1 115 115 GLN CG C 13 34.10 0.5 . 1 . . . 1 115 GLN CG . 30139 1 1155 . 1 1 115 115 GLN CD C 13 179.70 0.1 . 1 . . . 1 115 GLN CD . 30139 1 1156 . 1 1 115 115 GLN N N 15 121.51 0.25 . 1 . . . 1 115 GLN N . 30139 1 1157 . 1 1 115 115 GLN NE2 N 15 111.30 0.25 . 1 . . . 1 115 GLN NE2 . 30139 1 1158 . 1 1 116 116 VAL HA H 1 4.69 0.03 . 1 . . . 1 116 VAL HA . 30139 1 1159 . 1 1 116 116 VAL HB H 1 2.42 0.03 . 1 . . . 1 116 VAL HB . 30139 1 1160 . 1 1 116 116 VAL HG11 H 1 1.14 0.03 . 2 . . . 1 116 VAL HG11 . 30139 1 1161 . 1 1 116 116 VAL HG12 H 1 1.14 0.03 . 2 . . . 1 116 VAL HG12 . 30139 1 1162 . 1 1 116 116 VAL HG13 H 1 1.14 0.03 . 2 . . . 1 116 VAL HG13 . 30139 1 1163 . 1 1 116 116 VAL C C 13 176.40 0.1 . 1 . . . 1 116 VAL C . 30139 1 1164 . 1 1 116 116 VAL CA C 13 62.40 0.5 . 1 . . . 1 116 VAL CA . 30139 1 1165 . 1 1 116 116 VAL CB C 13 34.64 0.5 . 1 . . . 1 116 VAL CB . 30139 1 1166 . 1 1 117 117 THR H H 1 8.48 0.03 . 1 . . . 1 117 THR H . 30139 1 1167 . 1 1 117 117 THR HA H 1 4.27 0.03 . 1 . . . 1 117 THR HA . 30139 1 1168 . 1 1 117 117 THR HB H 1 4.17 0.03 . 1 . . . 1 117 THR HB . 30139 1 1169 . 1 1 117 117 THR HG21 H 1 1.50 0.03 . 1 . . . 1 117 THR HG21 . 30139 1 1170 . 1 1 117 117 THR HG22 H 1 1.50 0.03 . 1 . . . 1 117 THR HG22 . 30139 1 1171 . 1 1 117 117 THR HG23 H 1 1.50 0.03 . 1 . . . 1 117 THR HG23 . 30139 1 1172 . 1 1 117 117 THR C C 13 173.77 0.1 . 1 . . . 1 117 THR C . 30139 1 1173 . 1 1 117 117 THR CA C 13 62.68 0.5 . 1 . . . 1 117 THR CA . 30139 1 1174 . 1 1 117 117 THR CB C 13 69.84 0.5 . 1 . . . 1 117 THR CB . 30139 1 1175 . 1 1 117 117 THR CG2 C 13 23.10 0.5 . 1 . . . 1 117 THR CG2 . 30139 1 1176 . 1 1 117 117 THR N N 15 114.92 0.25 . 1 . . . 1 117 THR N . 30139 1 1177 . 1 1 118 118 GLY H H 1 7.43 0.03 . 1 . . . 1 118 GLY H . 30139 1 1178 . 1 1 118 118 GLY HA2 H 1 4.38 0.03 . 2 . . . 1 118 GLY HA2 . 30139 1 1179 . 1 1 118 118 GLY HA3 H 1 3.44 0.03 . 2 . . . 1 118 GLY HA3 . 30139 1 1180 . 1 1 118 118 GLY C C 13 175.10 0.1 . 1 . . . 1 118 GLY C . 30139 1 1181 . 1 1 118 118 GLY CA C 13 44.47 0.5 . 1 . . . 1 118 GLY CA . 30139 1 1182 . 1 1 118 118 GLY N N 15 108.72 0.25 . 1 . . . 1 118 GLY N . 30139 1 1183 . 1 1 119 119 PRO HA H 1 4.60 0.03 . 1 . . . 1 119 PRO HA . 30139 1 1184 . 1 1 119 119 PRO HB2 H 1 2.32 0.03 . 2 . . . 1 119 PRO HB2 . 30139 1 1185 . 1 1 119 119 PRO HG2 H 1 1.98 0.03 . 2 . . . 1 119 PRO HG2 . 30139 1 1186 . 1 1 119 119 PRO HD2 H 1 3.65 0.03 . 2 . . . 1 119 PRO HD2 . 30139 1 1187 . 1 1 119 119 PRO C C 13 176.65 0.1 . 1 . . . 1 119 PRO C . 30139 1 1188 . 1 1 119 119 PRO CA C 13 63.88 0.5 . 1 . . . 1 119 PRO CA . 30139 1 1189 . 1 1 119 119 PRO CB C 13 32.56 0.5 . 1 . . . 1 119 PRO CB . 30139 1 1190 . 1 1 119 119 PRO CG C 13 27.38 0.5 . 1 . . . 1 119 PRO CG . 30139 1 1191 . 1 1 119 119 PRO CD C 13 50.61 0.5 . 1 . . . 1 119 PRO CD . 30139 1 1192 . 1 1 120 120 HIS H H 1 7.98 0.03 . 1 . . . 1 120 HIS H . 30139 1 1193 . 1 1 120 120 HIS HA H 1 4.57 0.03 . 1 . . . 1 120 HIS HA . 30139 1 1194 . 1 1 120 120 HIS HB2 H 1 2.92 0.03 . 2 . . . 1 120 HIS HB2 . 30139 1 1195 . 1 1 120 120 HIS HB3 H 1 3.02 0.03 . 2 . . . 1 120 HIS HB3 . 30139 1 1196 . 1 1 120 120 HIS HD2 H 1 6.67 0.03 . 1 . . . 1 120 HIS HD2 . 30139 1 1197 . 1 1 120 120 HIS C C 13 174.29 0.1 . 1 . . . 1 120 HIS C . 30139 1 1198 . 1 1 120 120 HIS CA C 13 56.16 0.5 . 1 . . . 1 120 HIS CA . 30139 1 1199 . 1 1 120 120 HIS CB C 13 29.62 0.5 . 1 . . . 1 120 HIS CB . 30139 1 1200 . 1 1 120 120 HIS N N 15 114.16 0.25 . 1 . . . 1 120 HIS N . 30139 1 1201 . 1 1 121 121 LEU H H 1 8.82 0.03 . 1 . . . 1 121 LEU H . 30139 1 1202 . 1 1 121 121 LEU HA H 1 5.20 0.03 . 1 . . . 1 121 LEU HA . 30139 1 1203 . 1 1 121 121 LEU HB2 H 1 1.78 0.03 . 1 . . . 1 121 LEU HB2 . 30139 1 1204 . 1 1 121 121 LEU HB3 H 1 2.17 0.03 . 1 . . . 1 121 LEU HB3 . 30139 1 1205 . 1 1 121 121 LEU HG H 1 0.52 0.03 . 1 . . . 1 121 LEU HG . 30139 1 1206 . 1 1 121 121 LEU HD11 H 1 1.48 0.03 . 1 . . . 1 121 LEU HD11 . 30139 1 1207 . 1 1 121 121 LEU HD12 H 1 1.48 0.03 . 1 . . . 1 121 LEU HD12 . 30139 1 1208 . 1 1 121 121 LEU HD13 H 1 1.48 0.03 . 1 . . . 1 121 LEU HD13 . 30139 1 1209 . 1 1 121 121 LEU HD21 H 1 1.00 0.03 . 1 . . . 1 121 LEU HD21 . 30139 1 1210 . 1 1 121 121 LEU HD22 H 1 1.00 0.03 . 1 . . . 1 121 LEU HD22 . 30139 1 1211 . 1 1 121 121 LEU HD23 H 1 1.00 0.03 . 1 . . . 1 121 LEU HD23 . 30139 1 1212 . 1 1 121 121 LEU C C 13 177.89 0.1 . 1 . . . 1 121 LEU C . 30139 1 1213 . 1 1 121 121 LEU CA C 13 54.99 0.5 . 1 . . . 1 121 LEU CA . 30139 1 1214 . 1 1 121 121 LEU CB C 13 44.19 0.5 . 1 . . . 1 121 LEU CB . 30139 1 1215 . 1 1 121 121 LEU CG C 13 28.00 0.5 . 1 . . . 1 121 LEU CG . 30139 1 1216 . 1 1 121 121 LEU CD1 C 13 24.60 0.5 . 1 . . . 1 121 LEU CD1 . 30139 1 1217 . 1 1 121 121 LEU CD2 C 13 26.70 0.5 . 1 . . . 1 121 LEU CD2 . 30139 1 1218 . 1 1 121 121 LEU N N 15 119.89 0.25 . 1 . . . 1 121 LEU N . 30139 1 1219 . 1 1 122 122 HIS H H 1 7.22 0.03 . 1 . . . 1 122 HIS H . 30139 1 1220 . 1 1 122 122 HIS HA H 1 6.07 0.03 . 1 . . . 1 122 HIS HA . 30139 1 1221 . 1 1 122 122 HIS HB2 H 1 3.08 0.03 . 2 . . . 1 122 HIS HB2 . 30139 1 1222 . 1 1 122 122 HIS HB3 H 1 3.64 0.03 . 2 . . . 1 122 HIS HB3 . 30139 1 1223 . 1 1 122 122 HIS HD2 H 1 6.97 0.03 . 1 . . . 1 122 HIS HD2 . 30139 1 1224 . 1 1 122 122 HIS HE1 H 1 6.65 0.03 . 1 . . . 1 122 HIS HE1 . 30139 1 1225 . 1 1 122 122 HIS C C 13 171.99 0.1 . 1 . . . 1 122 HIS C . 30139 1 1226 . 1 1 122 122 HIS CA C 13 56.49 0.5 . 1 . . . 1 122 HIS CA . 30139 1 1227 . 1 1 122 122 HIS CB C 13 33.76 0.5 . 1 . . . 1 122 HIS CB . 30139 1 1228 . 1 1 122 122 HIS N N 15 126.51 0.25 . 1 . . . 1 122 HIS N . 30139 1 1229 . 1 1 123 123 PHE H H 1 9.49 0.03 . 1 . . . 1 123 PHE H . 30139 1 1230 . 1 1 123 123 PHE HA H 1 5.54 0.03 . 1 . . . 1 123 PHE HA . 30139 1 1231 . 1 1 123 123 PHE HB2 H 1 2.83 0.03 . 1 . . . 1 123 PHE HB2 . 30139 1 1232 . 1 1 123 123 PHE HB3 H 1 3.08 0.03 . 1 . . . 1 123 PHE HB3 . 30139 1 1233 . 1 1 123 123 PHE HD1 H 1 6.80 0.03 . 3 . . . 1 123 PHE HD1 . 30139 1 1234 . 1 1 123 123 PHE HE1 H 1 7.00 0.03 . 3 . . . 1 123 PHE HE1 . 30139 1 1235 . 1 1 123 123 PHE HZ H 1 7.26 0.03 . 1 . . . 1 123 PHE HZ . 30139 1 1236 . 1 1 123 123 PHE C C 13 171.98 0.1 . 1 . . . 1 123 PHE C . 30139 1 1237 . 1 1 123 123 PHE CA C 13 55.37 0.5 . 1 . . . 1 123 PHE CA . 30139 1 1238 . 1 1 123 123 PHE CB C 13 42.86 0.5 . 1 . . . 1 123 PHE CB . 30139 1 1239 . 1 1 123 123 PHE N N 15 131.27 0.25 . 1 . . . 1 123 PHE N . 30139 1 1240 . 1 1 124 124 GLU H H 1 7.70 0.03 . 1 . . . 1 124 GLU H . 30139 1 1241 . 1 1 124 124 GLU HA H 1 4.90 0.03 . 1 . . . 1 124 GLU HA . 30139 1 1242 . 1 1 124 124 GLU HB2 H 1 1.92 0.03 . 2 . . . 1 124 GLU HB2 . 30139 1 1243 . 1 1 124 124 GLU HG2 H 1 2.00 0.03 . 2 . . . 1 124 GLU HG2 . 30139 1 1244 . 1 1 124 124 GLU C C 13 173.06 0.1 . 1 . . . 1 124 GLU C . 30139 1 1245 . 1 1 124 124 GLU CA C 13 52.60 0.5 . 1 . . . 1 124 GLU CA . 30139 1 1246 . 1 1 124 124 GLU CB C 13 33.45 0.5 . 1 . . . 1 124 GLU CB . 30139 1 1247 . 1 1 124 124 GLU CG C 13 36.56 0.5 . 1 . . . 1 124 GLU CG . 30139 1 1248 . 1 1 124 124 GLU N N 15 122.18 0.25 . 1 . . . 1 124 GLU N . 30139 1 1249 . 1 1 125 125 MET H H 1 9.32 0.03 . 1 . . . 1 125 MET H . 30139 1 1250 . 1 1 125 125 MET HA H 1 5.14 0.03 . 1 . . . 1 125 MET HA . 30139 1 1251 . 1 1 125 125 MET HB2 H 1 1.18 0.03 . 1 . . . 1 125 MET HB2 . 30139 1 1252 . 1 1 125 125 MET HB3 H 1 1.91 0.03 . 1 . . . 1 125 MET HB3 . 30139 1 1253 . 1 1 125 125 MET HG2 H 1 2.29 0.03 . 2 . . . 1 125 MET HG2 . 30139 1 1254 . 1 1 125 125 MET HE1 H 1 1.85 0.03 . 1 . . . 1 125 MET HE1 . 30139 1 1255 . 1 1 125 125 MET HE2 H 1 1.85 0.03 . 1 . . . 1 125 MET HE2 . 30139 1 1256 . 1 1 125 125 MET HE3 H 1 1.85 0.03 . 1 . . . 1 125 MET HE3 . 30139 1 1257 . 1 1 125 125 MET C C 13 174.72 0.1 . 1 . . . 1 125 MET C . 30139 1 1258 . 1 1 125 125 MET CA C 13 54.87 0.5 . 1 . . . 1 125 MET CA . 30139 1 1259 . 1 1 125 125 MET CB C 13 38.95 0.5 . 1 . . . 1 125 MET CB . 30139 1 1260 . 1 1 125 125 MET CG C 13 33.75 0.5 . 1 . . . 1 125 MET CG . 30139 1 1261 . 1 1 125 125 MET CE C 13 17.50 0.5 . 1 . . . 1 125 MET CE . 30139 1 1262 . 1 1 125 125 MET N N 15 117.54 0.25 . 1 . . . 1 125 MET N . 30139 1 1263 . 1 1 126 126 LEU H H 1 8.36 0.03 . 1 . . . 1 126 LEU H . 30139 1 1264 . 1 1 126 126 LEU HA H 1 5.05 0.03 . 1 . . . 1 126 LEU HA . 30139 1 1265 . 1 1 126 126 LEU HB2 H 1 1.46 0.03 . 2 . . . 1 126 LEU HB2 . 30139 1 1266 . 1 1 126 126 LEU HB3 H 1 1.20 0.03 . 2 . . . 1 126 LEU HB3 . 30139 1 1267 . 1 1 126 126 LEU HG H 1 1.52 0.03 . 1 . . . 1 126 LEU HG . 30139 1 1268 . 1 1 126 126 LEU HD11 H 1 0.70 0.03 . 1 . . . 1 126 LEU HD11 . 30139 1 1269 . 1 1 126 126 LEU HD12 H 1 0.70 0.03 . 1 . . . 1 126 LEU HD12 . 30139 1 1270 . 1 1 126 126 LEU HD13 H 1 0.70 0.03 . 1 . . . 1 126 LEU HD13 . 30139 1 1271 . 1 1 126 126 LEU HD21 H 1 0.43 0.03 . 1 . . . 1 126 LEU HD21 . 30139 1 1272 . 1 1 126 126 LEU HD22 H 1 0.43 0.03 . 1 . . . 1 126 LEU HD22 . 30139 1 1273 . 1 1 126 126 LEU HD23 H 1 0.43 0.03 . 1 . . . 1 126 LEU HD23 . 30139 1 1274 . 1 1 126 126 LEU C C 13 173.40 0.1 . 1 . . . 1 126 LEU C . 30139 1 1275 . 1 1 126 126 LEU CA C 13 53.55 0.5 . 1 . . . 1 126 LEU CA . 30139 1 1276 . 1 1 126 126 LEU CB C 13 44.65 0.5 . 1 . . . 1 126 LEU CB . 30139 1 1277 . 1 1 126 126 LEU CG C 13 29.40 0.5 . 1 . . . 1 126 LEU CG . 30139 1 1278 . 1 1 126 126 LEU CD1 C 13 24.76 0.5 . 1 . . . 1 126 LEU CD1 . 30139 1 1279 . 1 1 126 126 LEU CD2 C 13 27.20 0.5 . 1 . . . 1 126 LEU CD2 . 30139 1 1280 . 1 1 126 126 LEU N N 15 118.61 0.25 . 1 . . . 1 126 LEU N . 30139 1 1281 . 1 1 127 127 PRO HA H 1 5.07 0.03 . 1 . . . 1 127 PRO HA . 30139 1 1282 . 1 1 127 127 PRO HB2 H 1 1.94 0.03 . 1 . . . 1 127 PRO HB2 . 30139 1 1283 . 1 1 127 127 PRO HB3 H 1 2.17 0.03 . 1 . . . 1 127 PRO HB3 . 30139 1 1284 . 1 1 127 127 PRO HG2 H 1 1.54 0.03 . 2 . . . 1 127 PRO HG2 . 30139 1 1285 . 1 1 127 127 PRO HD2 H 1 3.30 0.03 . 1 . . . 1 127 PRO HD2 . 30139 1 1286 . 1 1 127 127 PRO HD3 H 1 3.57 0.03 . 1 . . . 1 127 PRO HD3 . 30139 1 1287 . 1 1 127 127 PRO C C 13 174.28 0.1 . 1 . . . 1 127 PRO C . 30139 1 1288 . 1 1 127 127 PRO CA C 13 62.63 0.5 . 1 . . . 1 127 PRO CA . 30139 1 1289 . 1 1 127 127 PRO CB C 13 32.51 0.5 . 1 . . . 1 127 PRO CB . 30139 1 1290 . 1 1 127 127 PRO CG C 13 27.98 0.5 . 1 . . . 1 127 PRO CG . 30139 1 1291 . 1 1 127 127 PRO CD C 13 50.40 0.5 . 1 . . . 1 127 PRO CD . 30139 1 1292 . 1 1 128 128 ALA H H 1 8.26 0.03 . 1 . . . 1 128 ALA H . 30139 1 1293 . 1 1 128 128 ALA HA H 1 4.23 0.03 . 1 . . . 1 128 ALA HA . 30139 1 1294 . 1 1 128 128 ALA HB1 H 1 1.34 0.03 . 1 . . . 1 128 ALA HB1 . 30139 1 1295 . 1 1 128 128 ALA HB2 H 1 1.34 0.03 . 1 . . . 1 128 ALA HB2 . 30139 1 1296 . 1 1 128 128 ALA HB3 H 1 1.34 0.03 . 1 . . . 1 128 ALA HB3 . 30139 1 1297 . 1 1 128 128 ALA C C 13 178.44 0.1 . 1 . . . 1 128 ALA C . 30139 1 1298 . 1 1 128 128 ALA CA C 13 55.55 0.5 . 1 . . . 1 128 ALA CA . 30139 1 1299 . 1 1 128 128 ALA CB C 13 18.75 0.5 . 1 . . . 1 128 ALA CB . 30139 1 1300 . 1 1 128 128 ALA N N 15 120.24 0.25 . 1 . . . 1 128 ALA N . 30139 1 1301 . 1 1 129 129 ASN H H 1 7.94 0.03 . 1 . . . 1 129 ASN H . 30139 1 1302 . 1 1 129 129 ASN HA H 1 5.14 0.03 . 1 . . . 1 129 ASN HA . 30139 1 1303 . 1 1 129 129 ASN HB2 H 1 2.65 0.03 . 2 . . . 1 129 ASN HB2 . 30139 1 1304 . 1 1 129 129 ASN HB3 H 1 2.59 0.03 . 2 . . . 1 129 ASN HB3 . 30139 1 1305 . 1 1 129 129 ASN HD21 H 1 7.57 0.03 . 1 . . . 1 129 ASN HD21 . 30139 1 1306 . 1 1 129 129 ASN HD22 H 1 6.90 0.03 . 1 . . . 1 129 ASN HD22 . 30139 1 1307 . 1 1 129 129 ASN C C 13 171.46 0.1 . 1 . . . 1 129 ASN C . 30139 1 1308 . 1 1 129 129 ASN CA C 13 49.78 0.5 . 1 . . . 1 129 ASN CA . 30139 1 1309 . 1 1 129 129 ASN CB C 13 39.00 0.5 . 1 . . . 1 129 ASN CB . 30139 1 1310 . 1 1 129 129 ASN CG C 13 177.78 0.1 . 1 . . . 1 129 ASN CG . 30139 1 1311 . 1 1 129 129 ASN N N 15 112.68 0.25 . 1 . . . 1 129 ASN N . 30139 1 1312 . 1 1 129 129 ASN ND2 N 15 112.80 0.25 . 1 . . . 1 129 ASN ND2 . 30139 1 1313 . 1 1 130 130 PRO HA H 1 3.60 0.03 . 1 . . . 1 130 PRO HA . 30139 1 1314 . 1 1 130 130 PRO HB2 H 1 -0.75 0.03 . 1 . . . 1 130 PRO HB2 . 30139 1 1315 . 1 1 130 130 PRO HB3 H 1 1.32 0.03 . 1 . . . 1 130 PRO HB3 . 30139 1 1316 . 1 1 130 130 PRO HG2 H 1 0.56 0.03 . 1 . . . 1 130 PRO HG2 . 30139 1 1317 . 1 1 130 130 PRO HG3 H 1 1.22 0.03 . 1 . . . 1 130 PRO HG3 . 30139 1 1318 . 1 1 130 130 PRO HD2 H 1 3.00 0.03 . 2 . . . 1 130 PRO HD2 . 30139 1 1319 . 1 1 130 130 PRO HD3 H 1 3.65 0.03 . 2 . . . 1 130 PRO HD3 . 30139 1 1320 . 1 1 130 130 PRO C C 13 174.82 0.1 . 1 . . . 1 130 PRO C . 30139 1 1321 . 1 1 130 130 PRO CA C 13 62.61 0.5 . 1 . . . 1 130 PRO CA . 30139 1 1322 . 1 1 130 130 PRO CB C 13 30.92 0.5 . 1 . . . 1 130 PRO CB . 30139 1 1323 . 1 1 130 130 PRO CG C 13 27.64 0.5 . 1 . . . 1 130 PRO CG . 30139 1 1324 . 1 1 130 130 PRO CD C 13 50.30 0.5 . 1 . . . 1 130 PRO CD . 30139 1 1325 . 1 1 131 131 ASN H H 1 9.09 0.03 . 1 . . . 1 131 ASN H . 30139 1 1326 . 1 1 131 131 ASN HA H 1 4.53 0.03 . 1 . . . 1 131 ASN HA . 30139 1 1327 . 1 1 131 131 ASN HB2 H 1 2.69 0.03 . 1 . . . 1 131 ASN HB2 . 30139 1 1328 . 1 1 131 131 ASN HB3 H 1 2.79 0.03 . 1 . . . 1 131 ASN HB3 . 30139 1 1329 . 1 1 131 131 ASN HD21 H 1 7.60 0.03 . 1 . . . 1 131 ASN HD21 . 30139 1 1330 . 1 1 131 131 ASN HD22 H 1 6.90 0.03 . 1 . . . 1 131 ASN HD22 . 30139 1 1331 . 1 1 131 131 ASN C C 13 175.41 0.1 . 1 . . . 1 131 ASN C . 30139 1 1332 . 1 1 131 131 ASN CA C 13 50.27 0.5 . 1 . . . 1 131 ASN CA . 30139 1 1333 . 1 1 131 131 ASN CB C 13 37.23 0.5 . 1 . . . 1 131 ASN CB . 30139 1 1334 . 1 1 131 131 ASN CG C 13 177.34 0.1 . 1 . . . 1 131 ASN CG . 30139 1 1335 . 1 1 131 131 ASN N N 15 119.40 0.25 . 1 . . . 1 131 ASN N . 30139 1 1336 . 1 1 131 131 ASN ND2 N 15 109.70 0.25 . 1 . . . 1 131 ASN ND2 . 30139 1 1337 . 1 1 132 132 TRP H H 1 7.32 0.03 . 1 . . . 1 132 TRP H . 30139 1 1338 . 1 1 132 132 TRP HA H 1 4.12 0.03 . 1 . . . 1 132 TRP HA . 30139 1 1339 . 1 1 132 132 TRP HB2 H 1 3.44 0.03 . 2 . . . 1 132 TRP HB2 . 30139 1 1340 . 1 1 132 132 TRP HB3 H 1 2.89 0.03 . 2 . . . 1 132 TRP HB3 . 30139 1 1341 . 1 1 132 132 TRP HD1 H 1 7.25 0.03 . 1 . . . 1 132 TRP HD1 . 30139 1 1342 . 1 1 132 132 TRP HE1 H 1 9.78 0.03 . 1 . . . 1 132 TRP HE1 . 30139 1 1343 . 1 1 132 132 TRP HE3 H 1 6.55 0.03 . 1 . . . 1 132 TRP HE3 . 30139 1 1344 . 1 1 132 132 TRP HZ2 H 1 6.61 0.03 . 1 . . . 1 132 TRP HZ2 . 30139 1 1345 . 1 1 132 132 TRP C C 13 176.97 0.1 . 1 . . . 1 132 TRP C . 30139 1 1346 . 1 1 132 132 TRP CA C 13 57.58 0.5 . 1 . . . 1 132 TRP CA . 30139 1 1347 . 1 1 132 132 TRP CB C 13 29.22 0.5 . 1 . . . 1 132 TRP CB . 30139 1 1348 . 1 1 132 132 TRP N N 15 123.25 0.25 . 1 . . . 1 132 TRP N . 30139 1 1349 . 1 1 132 132 TRP NE1 N 15 127.85 0.25 . 1 . . . 1 132 TRP NE1 . 30139 1 1350 . 1 1 133 133 GLN H H 1 7.81 0.03 . 1 . . . 1 133 GLN H . 30139 1 1351 . 1 1 133 133 GLN HA H 1 4.69 0.03 . 1 . . . 1 133 GLN HA . 30139 1 1352 . 1 1 133 133 GLN HB2 H 1 2.01 0.03 . 1 . . . 1 133 GLN HB2 . 30139 1 1353 . 1 1 133 133 GLN HB3 H 1 2.43 0.03 . 1 . . . 1 133 GLN HB3 . 30139 1 1354 . 1 1 133 133 GLN HG2 H 1 2.92 0.03 . 2 . . . 1 133 GLN HG2 . 30139 1 1355 . 1 1 133 133 GLN HE21 H 1 7.61 0.03 . 1 . . . 1 133 GLN HE21 . 30139 1 1356 . 1 1 133 133 GLN HE22 H 1 6.92 0.03 . 1 . . . 1 133 GLN HE22 . 30139 1 1357 . 1 1 133 133 GLN C C 13 175.63 0.1 . 1 . . . 1 133 GLN C . 30139 1 1358 . 1 1 133 133 GLN CA C 13 54.96 0.5 . 1 . . . 1 133 GLN CA . 30139 1 1359 . 1 1 133 133 GLN CB C 13 27.53 0.5 . 1 . . . 1 133 GLN CB . 30139 1 1360 . 1 1 133 133 GLN CG C 13 34.40 0.5 . 1 . . . 1 133 GLN CG . 30139 1 1361 . 1 1 133 133 GLN CD C 13 180.65 0.1 . 1 . . . 1 133 GLN CD . 30139 1 1362 . 1 1 133 133 GLN N N 15 115.92 0.25 . 1 . . . 1 133 GLN N . 30139 1 1363 . 1 1 133 133 GLN NE2 N 15 111.80 0.25 . 1 . . . 1 133 GLN NE2 . 30139 1 1364 . 1 1 134 134 ASN H H 1 7.56 0.03 . 1 . . . 1 134 ASN H . 30139 1 1365 . 1 1 134 134 ASN HA H 1 4.43 0.03 . 1 . . . 1 134 ASN HA . 30139 1 1366 . 1 1 134 134 ASN HB2 H 1 3.44 0.03 . 2 . . . 1 134 ASN HB2 . 30139 1 1367 . 1 1 134 134 ASN HB3 H 1 2.88 0.03 . 2 . . . 1 134 ASN HB3 . 30139 1 1368 . 1 1 134 134 ASN HD21 H 1 7.66 0.03 . 1 . . . 1 134 ASN HD21 . 30139 1 1369 . 1 1 134 134 ASN HD22 H 1 7.23 0.03 . 1 . . . 1 134 ASN HD22 . 30139 1 1370 . 1 1 134 134 ASN C C 13 175.24 0.1 . 1 . . . 1 134 ASN C . 30139 1 1371 . 1 1 134 134 ASN CA C 13 53.52 0.5 . 1 . . . 1 134 ASN CA . 30139 1 1372 . 1 1 134 134 ASN CB C 13 38.01 0.5 . 1 . . . 1 134 ASN CB . 30139 1 1373 . 1 1 134 134 ASN CG C 13 178.60 0.1 . 1 . . . 1 134 ASN CG . 30139 1 1374 . 1 1 134 134 ASN N N 15 118.17 0.25 . 1 . . . 1 134 ASN N . 30139 1 1375 . 1 1 134 134 ASN ND2 N 15 111.40 0.25 . 1 . . . 1 134 ASN ND2 . 30139 1 1376 . 1 1 135 135 GLY H H 1 8.53 0.03 . 1 . . . 1 135 GLY H . 30139 1 1377 . 1 1 135 135 GLY HA2 H 1 4.14 0.03 . 2 . . . 1 135 GLY HA2 . 30139 1 1378 . 1 1 135 135 GLY HA3 H 1 3.43 0.03 . 2 . . . 1 135 GLY HA3 . 30139 1 1379 . 1 1 135 135 GLY C C 13 173.79 0.1 . 1 . . . 1 135 GLY C . 30139 1 1380 . 1 1 135 135 GLY CA C 13 44.81 0.5 . 1 . . . 1 135 GLY CA . 30139 1 1381 . 1 1 135 135 GLY N N 15 110.23 0.25 . 1 . . . 1 135 GLY N . 30139 1 1382 . 1 1 136 136 PHE H H 1 8.30 0.03 . 1 . . . 1 136 PHE H . 30139 1 1383 . 1 1 136 136 PHE HA H 1 4.73 0.03 . 1 . . . 1 136 PHE HA . 30139 1 1384 . 1 1 136 136 PHE HB2 H 1 3.42 0.03 . 2 . . . 1 136 PHE HB2 . 30139 1 1385 . 1 1 136 136 PHE HB3 H 1 2.66 0.03 . 2 . . . 1 136 PHE HB3 . 30139 1 1386 . 1 1 136 136 PHE HD1 H 1 6.96 0.03 . 3 . . . 1 136 PHE HD1 . 30139 1 1387 . 1 1 136 136 PHE HE1 H 1 7.27 0.03 . 3 . . . 1 136 PHE HE1 . 30139 1 1388 . 1 1 136 136 PHE C C 13 175.50 0.1 . 1 . . . 1 136 PHE C . 30139 1 1389 . 1 1 136 136 PHE CA C 13 57.05 0.5 . 1 . . . 1 136 PHE CA . 30139 1 1390 . 1 1 136 136 PHE CB C 13 39.82 0.5 . 1 . . . 1 136 PHE CB . 30139 1 1391 . 1 1 136 136 PHE N N 15 119.53 0.25 . 1 . . . 1 136 PHE N . 30139 1 1392 . 1 1 137 137 SER H H 1 9.11 0.03 . 1 . . . 1 137 SER H . 30139 1 1393 . 1 1 137 137 SER HA H 1 4.26 0.03 . 1 . . . 1 137 SER HA . 30139 1 1394 . 1 1 137 137 SER HB2 H 1 4.18 0.03 . 2 . . . 1 137 SER HB2 . 30139 1 1395 . 1 1 137 137 SER HB3 H 1 4.08 0.03 . 2 . . . 1 137 SER HB3 . 30139 1 1396 . 1 1 137 137 SER C C 13 174.17 0.1 . 1 . . . 1 137 SER C . 30139 1 1397 . 1 1 137 137 SER CA C 13 58.53 0.5 . 1 . . . 1 137 SER CA . 30139 1 1398 . 1 1 137 137 SER CB C 13 62.15 0.5 . 1 . . . 1 137 SER CB . 30139 1 1399 . 1 1 137 137 SER N N 15 113.83 0.25 . 1 . . . 1 137 SER N . 30139 1 1400 . 1 1 138 138 GLY H H 1 7.96 0.03 . 1 . . . 1 138 GLY H . 30139 1 1401 . 1 1 138 138 GLY HA2 H 1 3.53 0.03 . 2 . . . 1 138 GLY HA2 . 30139 1 1402 . 1 1 138 138 GLY HA3 H 1 3.11 0.03 . 2 . . . 1 138 GLY HA3 . 30139 1 1403 . 1 1 138 138 GLY C C 13 174.43 0.1 . 1 . . . 1 138 GLY C . 30139 1 1404 . 1 1 138 138 GLY CA C 13 44.64 0.5 . 1 . . . 1 138 GLY CA . 30139 1 1405 . 1 1 138 138 GLY N N 15 103.50 0.25 . 1 . . . 1 138 GLY N . 30139 1 1406 . 1 1 139 139 ARG H H 1 7.85 0.03 . 1 . . . 1 139 ARG H . 30139 1 1407 . 1 1 139 139 ARG HA H 1 4.89 0.03 . 1 . . . 1 139 ARG HA . 30139 1 1408 . 1 1 139 139 ARG HB2 H 1 2.09 0.03 . 2 . . . 1 139 ARG HB2 . 30139 1 1409 . 1 1 139 139 ARG HG2 H 1 1.69 0.03 . 2 . . . 1 139 ARG HG2 . 30139 1 1410 . 1 1 139 139 ARG HG3 H 1 1.32 0.03 . 2 . . . 1 139 ARG HG3 . 30139 1 1411 . 1 1 139 139 ARG HD2 H 1 3.50 0.03 . 2 . . . 1 139 ARG HD2 . 30139 1 1412 . 1 1 139 139 ARG HE H 1 8.30 0.03 . 1 . . . 1 139 ARG HE . 30139 1 1413 . 1 1 139 139 ARG C C 13 177.01 0.1 . 1 . . . 1 139 ARG C . 30139 1 1414 . 1 1 139 139 ARG CA C 13 57.55 0.5 . 1 . . . 1 139 ARG CA . 30139 1 1415 . 1 1 139 139 ARG CB C 13 32.39 0.5 . 1 . . . 1 139 ARG CB . 30139 1 1416 . 1 1 139 139 ARG CG C 13 26.97 0.5 . 1 . . . 1 139 ARG CG . 30139 1 1417 . 1 1 139 139 ARG CD C 13 39.80 0.5 . 1 . . . 1 139 ARG CD . 30139 1 1418 . 1 1 139 139 ARG N N 15 122.60 0.25 . 1 . . . 1 139 ARG N . 30139 1 1419 . 1 1 139 139 ARG NE N 15 79.66 0.25 . 1 . . . 1 139 ARG NE . 30139 1 1420 . 1 1 140 140 ILE H H 1 7.85 0.03 . 1 . . . 1 140 ILE H . 30139 1 1421 . 1 1 140 140 ILE HA H 1 4.43 0.03 . 1 . . . 1 140 ILE HA . 30139 1 1422 . 1 1 140 140 ILE HB H 1 1.75 0.03 . 1 . . . 1 140 ILE HB . 30139 1 1423 . 1 1 140 140 ILE HG12 H 1 0.65 0.03 . 2 . . . 1 140 ILE HG12 . 30139 1 1424 . 1 1 140 140 ILE HG13 H 1 0.97 0.03 . 2 . . . 1 140 ILE HG13 . 30139 1 1425 . 1 1 140 140 ILE HG21 H 1 0.71 0.03 . 1 . . . 1 140 ILE HG21 . 30139 1 1426 . 1 1 140 140 ILE HG22 H 1 0.71 0.03 . 1 . . . 1 140 ILE HG22 . 30139 1 1427 . 1 1 140 140 ILE HG23 H 1 0.71 0.03 . 1 . . . 1 140 ILE HG23 . 30139 1 1428 . 1 1 140 140 ILE HD11 H 1 0.68 0.03 . 1 . . . 1 140 ILE HD11 . 30139 1 1429 . 1 1 140 140 ILE HD12 H 1 0.68 0.03 . 1 . . . 1 140 ILE HD12 . 30139 1 1430 . 1 1 140 140 ILE HD13 H 1 0.68 0.03 . 1 . . . 1 140 ILE HD13 . 30139 1 1431 . 1 1 140 140 ILE C C 13 174.56 0.1 . 1 . . . 1 140 ILE C . 30139 1 1432 . 1 1 140 140 ILE CA C 13 57.78 0.5 . 1 . . . 1 140 ILE CA . 30139 1 1433 . 1 1 140 140 ILE CB C 13 41.40 0.5 . 1 . . . 1 140 ILE CB . 30139 1 1434 . 1 1 140 140 ILE CG1 C 13 25.62 0.5 . 1 . . . 1 140 ILE CG1 . 30139 1 1435 . 1 1 140 140 ILE CG2 C 13 18.33 0.5 . 1 . . . 1 140 ILE CG2 . 30139 1 1436 . 1 1 140 140 ILE CD1 C 13 14.40 0.5 . 1 . . . 1 140 ILE CD1 . 30139 1 1437 . 1 1 140 140 ILE N N 15 109.84 0.25 . 1 . . . 1 140 ILE N . 30139 1 1438 . 1 1 141 141 ASP H H 1 7.93 0.03 . 1 . . . 1 141 ASP H . 30139 1 1439 . 1 1 141 141 ASP HA H 1 4.39 0.03 . 1 . . . 1 141 ASP HA . 30139 1 1440 . 1 1 141 141 ASP HB2 H 1 2.32 0.03 . 2 . . . 1 141 ASP HB2 . 30139 1 1441 . 1 1 141 141 ASP C C 13 177.28 0.1 . 1 . . . 1 141 ASP C . 30139 1 1442 . 1 1 141 141 ASP CA C 13 51.02 0.5 . 1 . . . 1 141 ASP CA . 30139 1 1443 . 1 1 141 141 ASP CB C 13 40.86 0.5 . 1 . . . 1 141 ASP CB . 30139 1 1444 . 1 1 141 141 ASP N N 15 121.85 0.25 . 1 . . . 1 141 ASP N . 30139 1 1445 . 1 1 142 142 PRO HA H 1 5.07 0.03 . 1 . . . 1 142 PRO HA . 30139 1 1446 . 1 1 142 142 PRO HB2 H 1 2.32 0.03 . 2 . . . 1 142 PRO HB2 . 30139 1 1447 . 1 1 142 142 PRO HG2 H 1 1.98 0.03 . 2 . . . 1 142 PRO HG2 . 30139 1 1448 . 1 1 142 142 PRO HD2 H 1 3.57 0.03 . 2 . . . 1 142 PRO HD2 . 30139 1 1449 . 1 1 142 142 PRO HD3 H 1 3.80 0.03 . 2 . . . 1 142 PRO HD3 . 30139 1 1450 . 1 1 142 142 PRO C C 13 178.02 0.1 . 1 . . . 1 142 PRO C . 30139 1 1451 . 1 1 142 142 PRO CA C 13 63.17 0.5 . 1 . . . 1 142 PRO CA . 30139 1 1452 . 1 1 142 142 PRO CB C 13 33.71 0.5 . 1 . . . 1 142 PRO CB . 30139 1 1453 . 1 1 142 142 PRO CG C 13 27.54 0.5 . 1 . . . 1 142 PRO CG . 30139 1 1454 . 1 1 142 142 PRO CD C 13 50.82 0.5 . 1 . . . 1 142 PRO CD . 30139 1 1455 . 1 1 143 143 THR H H 1 8.50 0.03 . 1 . . . 1 143 THR H . 30139 1 1456 . 1 1 143 143 THR HA H 1 3.34 0.03 . 1 . . . 1 143 THR HA . 30139 1 1457 . 1 1 143 143 THR HB H 1 3.92 0.03 . 1 . . . 1 143 THR HB . 30139 1 1458 . 1 1 143 143 THR HG21 H 1 1.15 0.03 . 1 . . . 1 143 THR HG21 . 30139 1 1459 . 1 1 143 143 THR HG22 H 1 1.15 0.03 . 1 . . . 1 143 THR HG22 . 30139 1 1460 . 1 1 143 143 THR HG23 H 1 1.15 0.03 . 1 . . . 1 143 THR HG23 . 30139 1 1461 . 1 1 143 143 THR C C 13 176.32 0.1 . 1 . . . 1 143 THR C . 30139 1 1462 . 1 1 143 143 THR CA C 13 69.54 0.5 . 1 . . . 1 143 THR CA . 30139 1 1463 . 1 1 143 143 THR CB C 13 67.98 0.5 . 1 . . . 1 143 THR CB . 30139 1 1464 . 1 1 143 143 THR CG2 C 13 21.10 0.5 . 1 . . . 1 143 THR CG2 . 30139 1 1465 . 1 1 143 143 THR N N 15 120.43 0.25 . 1 . . . 1 143 THR N . 30139 1 1466 . 1 1 144 144 GLY H H 1 9.11 0.03 . 1 . . . 1 144 GLY H . 30139 1 1467 . 1 1 144 144 GLY HA2 H 1 3.71 0.03 . 2 . . . 1 144 GLY HA2 . 30139 1 1468 . 1 1 144 144 GLY HA3 H 1 3.47 0.03 . 2 . . . 1 144 GLY HA3 . 30139 1 1469 . 1 1 144 144 GLY C C 13 174.86 0.1 . 1 . . . 1 144 GLY C . 30139 1 1470 . 1 1 144 144 GLY CA C 13 46.17 0.5 . 1 . . . 1 144 GLY CA . 30139 1 1471 . 1 1 144 144 GLY N N 15 108.91 0.25 . 1 . . . 1 144 GLY N . 30139 1 1472 . 1 1 145 145 TYR H H 1 7.27 0.03 . 1 . . . 1 145 TYR H . 30139 1 1473 . 1 1 145 145 TYR HA H 1 4.37 0.03 . 1 . . . 1 145 TYR HA . 30139 1 1474 . 1 1 145 145 TYR HB2 H 1 2.69 0.03 . 2 . . . 1 145 TYR HB2 . 30139 1 1475 . 1 1 145 145 TYR HB3 H 1 2.83 0.03 . 2 . . . 1 145 TYR HB3 . 30139 1 1476 . 1 1 145 145 TYR HD1 H 1 6.88 0.03 . 3 . . . 1 145 TYR HD1 . 30139 1 1477 . 1 1 145 145 TYR C C 13 176.88 0.1 . 1 . . . 1 145 TYR C . 30139 1 1478 . 1 1 145 145 TYR CA C 13 59.22 0.5 . 1 . . . 1 145 TYR CA . 30139 1 1479 . 1 1 145 145 TYR CB C 13 38.80 0.5 . 1 . . . 1 145 TYR CB . 30139 1 1480 . 1 1 145 145 TYR N N 15 116.13 0.25 . 1 . . . 1 145 TYR N . 30139 1 1481 . 1 1 146 146 ILE H H 1 7.90 0.03 . 1 . . . 1 146 ILE H . 30139 1 1482 . 1 1 146 146 ILE HA H 1 4.82 0.03 . 1 . . . 1 146 ILE HA . 30139 1 1483 . 1 1 146 146 ILE HB H 1 1.45 0.03 . 1 . . . 1 146 ILE HB . 30139 1 1484 . 1 1 146 146 ILE HG12 H 1 1.28 0.03 . 2 . . . 1 146 ILE HG12 . 30139 1 1485 . 1 1 146 146 ILE HG21 H 1 0.80 0.03 . 1 . . . 1 146 ILE HG21 . 30139 1 1486 . 1 1 146 146 ILE HG22 H 1 0.80 0.03 . 1 . . . 1 146 ILE HG22 . 30139 1 1487 . 1 1 146 146 ILE HG23 H 1 0.80 0.03 . 1 . . . 1 146 ILE HG23 . 30139 1 1488 . 1 1 146 146 ILE HD11 H 1 0.73 0.03 . 1 . . . 1 146 ILE HD11 . 30139 1 1489 . 1 1 146 146 ILE HD12 H 1 0.73 0.03 . 1 . . . 1 146 ILE HD12 . 30139 1 1490 . 1 1 146 146 ILE HD13 H 1 0.73 0.03 . 1 . . . 1 146 ILE HD13 . 30139 1 1491 . 1 1 146 146 ILE C C 13 178.04 0.1 . 1 . . . 1 146 ILE C . 30139 1 1492 . 1 1 146 146 ILE CA C 13 57.19 0.5 . 1 . . . 1 146 ILE CA . 30139 1 1493 . 1 1 146 146 ILE CB C 13 45.51 0.5 . 1 . . . 1 146 ILE CB . 30139 1 1494 . 1 1 146 146 ILE CG1 C 13 28.55 0.5 . 1 . . . 1 146 ILE CG1 . 30139 1 1495 . 1 1 146 146 ILE CG2 C 13 18.32 0.5 . 1 . . . 1 146 ILE CG2 . 30139 1 1496 . 1 1 146 146 ILE CD1 C 13 14.50 0.5 . 1 . . . 1 146 ILE CD1 . 30139 1 1497 . 1 1 146 146 ILE N N 15 114.44 0.25 . 1 . . . 1 146 ILE N . 30139 1 1498 . 1 1 147 147 ALA H H 1 8.94 0.03 . 1 . . . 1 147 ALA H . 30139 1 1499 . 1 1 147 147 ALA HA H 1 4.09 0.03 . 1 . . . 1 147 ALA HA . 30139 1 1500 . 1 1 147 147 ALA HB1 H 1 1.44 0.03 . 1 . . . 1 147 ALA HB1 . 30139 1 1501 . 1 1 147 147 ALA HB2 H 1 1.44 0.03 . 1 . . . 1 147 ALA HB2 . 30139 1 1502 . 1 1 147 147 ALA HB3 H 1 1.44 0.03 . 1 . . . 1 147 ALA HB3 . 30139 1 1503 . 1 1 147 147 ALA C C 13 178.61 0.1 . 1 . . . 1 147 ALA C . 30139 1 1504 . 1 1 147 147 ALA CA C 13 56.04 0.5 . 1 . . . 1 147 ALA CA . 30139 1 1505 . 1 1 147 147 ALA CB C 13 18.70 0.5 . 1 . . . 1 147 ALA CB . 30139 1 1506 . 1 1 147 147 ALA N N 15 128.30 0.25 . 1 . . . 1 147 ALA N . 30139 1 1507 . 1 1 148 148 ASN H H 1 8.64 0.03 . 1 . . . 1 148 ASN H . 30139 1 1508 . 1 1 148 148 ASN HA H 1 5.00 0.03 . 1 . . . 1 148 ASN HA . 30139 1 1509 . 1 1 148 148 ASN HB2 H 1 2.94 0.03 . 1 . . . 1 148 ASN HB2 . 30139 1 1510 . 1 1 148 148 ASN HB3 H 1 2.50 0.03 . 1 . . . 1 148 ASN HB3 . 30139 1 1511 . 1 1 148 148 ASN HD21 H 1 7.55 0.03 . 1 . . . 1 148 ASN HD21 . 30139 1 1512 . 1 1 148 148 ASN HD22 H 1 6.85 0.03 . 1 . . . 1 148 ASN HD22 . 30139 1 1513 . 1 1 148 148 ASN C C 13 174.80 0.1 . 1 . . . 1 148 ASN C . 30139 1 1514 . 1 1 148 148 ASN CA C 13 51.47 0.5 . 1 . . . 1 148 ASN CA . 30139 1 1515 . 1 1 148 148 ASN CB C 13 38.71 0.5 . 1 . . . 1 148 ASN CB . 30139 1 1516 . 1 1 148 148 ASN CG C 13 177.67 0.1 . 1 . . . 1 148 ASN CG . 30139 1 1517 . 1 1 148 148 ASN N N 15 113.42 0.25 . 1 . . . 1 148 ASN N . 30139 1 1518 . 1 1 148 148 ASN ND2 N 15 112.70 0.25 . 1 . . . 1 148 ASN ND2 . 30139 1 1519 . 1 1 149 149 ALA H H 1 6.99 0.03 . 1 . . . 1 149 ALA H . 30139 1 1520 . 1 1 149 149 ALA HA H 1 4.50 0.03 . 1 . . . 1 149 ALA HA . 30139 1 1521 . 1 1 149 149 ALA HB1 H 1 1.35 0.03 . 1 . . . 1 149 ALA HB1 . 30139 1 1522 . 1 1 149 149 ALA HB2 H 1 1.35 0.03 . 1 . . . 1 149 ALA HB2 . 30139 1 1523 . 1 1 149 149 ALA HB3 H 1 1.35 0.03 . 1 . . . 1 149 ALA HB3 . 30139 1 1524 . 1 1 149 149 ALA C C 13 174.86 0.1 . 1 . . . 1 149 ALA C . 30139 1 1525 . 1 1 149 149 ALA CA C 13 50.75 0.5 . 1 . . . 1 149 ALA CA . 30139 1 1526 . 1 1 149 149 ALA CB C 13 17.53 0.5 . 1 . . . 1 149 ALA CB . 30139 1 1527 . 1 1 149 149 ALA N N 15 124.45 0.25 . 1 . . . 1 149 ALA N . 30139 1 1528 . 1 1 150 150 PRO HA H 1 4.60 0.03 . 1 . . . 1 150 PRO HA . 30139 1 1529 . 1 1 150 150 PRO HB2 H 1 2.23 0.03 . 2 . . . 1 150 PRO HB2 . 30139 1 1530 . 1 1 150 150 PRO HG2 H 1 2.05 0.03 . 2 . . . 1 150 PRO HG2 . 30139 1 1531 . 1 1 150 150 PRO HD2 H 1 3.81 0.03 . 2 . . . 1 150 PRO HD2 . 30139 1 1532 . 1 1 150 150 PRO HD3 H 1 4.06 0.03 . 2 . . . 1 150 PRO HD3 . 30139 1 1533 . 1 1 150 150 PRO C C 13 177.04 0.1 . 1 . . . 1 150 PRO C . 30139 1 1534 . 1 1 150 150 PRO CA C 13 62.00 0.5 . 1 . . . 1 150 PRO CA . 30139 1 1535 . 1 1 150 150 PRO CB C 13 32.35 0.5 . 1 . . . 1 150 PRO CB . 30139 1 1536 . 1 1 150 150 PRO CG C 13 27.00 0.5 . 1 . . . 1 150 PRO CG . 30139 1 1537 . 1 1 150 150 PRO CD C 13 50.10 0.5 . 1 . . . 1 150 PRO CD . 30139 1 1538 . 1 1 151 151 VAL H H 1 8.32 0.03 . 1 . . . 1 151 VAL H . 30139 1 1539 . 1 1 151 151 VAL HA H 1 3.98 0.03 . 1 . . . 1 151 VAL HA . 30139 1 1540 . 1 1 151 151 VAL HB H 1 1.96 0.03 . 1 . . . 1 151 VAL HB . 30139 1 1541 . 1 1 151 151 VAL HG11 H 1 1.09 0.03 . 1 . . . 1 151 VAL HG11 . 30139 1 1542 . 1 1 151 151 VAL HG12 H 1 1.09 0.03 . 1 . . . 1 151 VAL HG12 . 30139 1 1543 . 1 1 151 151 VAL HG13 H 1 1.09 0.03 . 1 . . . 1 151 VAL HG13 . 30139 1 1544 . 1 1 151 151 VAL HG21 H 1 1.05 0.03 . 1 . . . 1 151 VAL HG21 . 30139 1 1545 . 1 1 151 151 VAL HG22 H 1 1.05 0.03 . 1 . . . 1 151 VAL HG22 . 30139 1 1546 . 1 1 151 151 VAL HG23 H 1 1.05 0.03 . 1 . . . 1 151 VAL HG23 . 30139 1 1547 . 1 1 151 151 VAL C C 13 176.87 0.1 . 1 . . . 1 151 VAL C . 30139 1 1548 . 1 1 151 151 VAL CA C 13 62.60 0.5 . 1 . . . 1 151 VAL CA . 30139 1 1549 . 1 1 151 151 VAL CB C 13 32.35 0.5 . 1 . . . 1 151 VAL CB . 30139 1 1550 . 1 1 151 151 VAL CG1 C 13 22.32 0.5 . 1 . . . 1 151 VAL CG1 . 30139 1 1551 . 1 1 151 151 VAL CG2 C 13 21.10 0.5 . 1 . . . 1 151 VAL CG2 . 30139 1 1552 . 1 1 151 151 VAL N N 15 120.52 0.25 . 1 . . . 1 151 VAL N . 30139 1 1553 . 1 1 152 152 PHE H H 1 9.70 0.03 . 1 . . . 1 152 PHE H . 30139 1 1554 . 1 1 152 152 PHE HA H 1 4.12 0.03 . 1 . . . 1 152 PHE HA . 30139 1 1555 . 1 1 152 152 PHE HB2 H 1 3.16 0.03 . 2 . . . 1 152 PHE HB2 . 30139 1 1556 . 1 1 152 152 PHE HB3 H 1 2.71 0.03 . 2 . . . 1 152 PHE HB3 . 30139 1 1557 . 1 1 152 152 PHE HD1 H 1 7.20 0.03 . 3 . . . 1 152 PHE HD1 . 30139 1 1558 . 1 1 152 152 PHE C C 13 174.88 0.1 . 1 . . . 1 152 PHE C . 30139 1 1559 . 1 1 152 152 PHE CA C 13 60.18 0.5 . 1 . . . 1 152 PHE CA . 30139 1 1560 . 1 1 152 152 PHE CB C 13 39.22 0.5 . 1 . . . 1 152 PHE CB . 30139 1 1561 . 1 1 152 152 PHE N N 15 129.33 0.25 . 1 . . . 1 152 PHE N . 30139 1 1562 . 1 1 153 153 ASN H H 1 8.02 0.03 . 1 . . . 1 153 ASN H . 30139 1 1563 . 1 1 153 153 ASN HA H 1 4.51 0.03 . 1 . . . 1 153 ASN HA . 30139 1 1564 . 1 1 153 153 ASN HB2 H 1 2.60 0.03 . 2 . . . 1 153 ASN HB2 . 30139 1 1565 . 1 1 153 153 ASN HB3 H 1 2.50 0.03 . 2 . . . 1 153 ASN HB3 . 30139 1 1566 . 1 1 153 153 ASN HD21 H 1 7.40 0.03 . 1 . . . 1 153 ASN HD21 . 30139 1 1567 . 1 1 153 153 ASN HD22 H 1 6.70 0.03 . 1 . . . 1 153 ASN HD22 . 30139 1 1568 . 1 1 153 153 ASN C C 13 174.79 0.1 . 1 . . . 1 153 ASN C . 30139 1 1569 . 1 1 153 153 ASN CA C 13 52.09 0.5 . 1 . . . 1 153 ASN CA . 30139 1 1570 . 1 1 153 153 ASN CB C 13 39.14 0.5 . 1 . . . 1 153 ASN CB . 30139 1 1571 . 1 1 153 153 ASN CG C 13 177.20 0.1 . 1 . . . 1 153 ASN CG . 30139 1 1572 . 1 1 153 153 ASN N N 15 125.29 0.25 . 1 . . . 1 153 ASN N . 30139 1 1573 . 1 1 153 153 ASN ND2 N 15 111.30 0.25 . 1 . . . 1 153 ASN ND2 . 30139 1 1574 . 1 1 154 154 GLY H H 1 6.76 0.03 . 1 . . . 1 154 GLY H . 30139 1 1575 . 1 1 154 154 GLY HA2 H 1 3.85 0.03 . 2 . . . 1 154 GLY HA2 . 30139 1 1576 . 1 1 154 154 GLY HA3 H 1 3.70 0.03 . 2 . . . 1 154 GLY HA3 . 30139 1 1577 . 1 1 154 154 GLY C C 13 173.79 0.1 . 1 . . . 1 154 GLY C . 30139 1 1578 . 1 1 154 154 GLY CA C 13 45.25 0.5 . 1 . . . 1 154 GLY CA . 30139 1 1579 . 1 1 154 154 GLY N N 15 107.90 0.25 . 1 . . . 1 154 GLY N . 30139 1 1580 . 1 1 155 155 THR H H 1 8.06 0.03 . 1 . . . 1 155 THR H . 30139 1 1581 . 1 1 155 155 THR HA H 1 4.35 0.03 . 1 . . . 1 155 THR HA . 30139 1 1582 . 1 1 155 155 THR HB H 1 4.15 0.03 . 1 . . . 1 155 THR HB . 30139 1 1583 . 1 1 155 155 THR HG21 H 1 1.17 0.03 . 1 . . . 1 155 THR HG21 . 30139 1 1584 . 1 1 155 155 THR HG22 H 1 1.17 0.03 . 1 . . . 1 155 THR HG22 . 30139 1 1585 . 1 1 155 155 THR HG23 H 1 1.17 0.03 . 1 . . . 1 155 THR HG23 . 30139 1 1586 . 1 1 155 155 THR CA C 13 62.00 0.5 . 1 . . . 1 155 THR CA . 30139 1 1587 . 1 1 155 155 THR CB C 13 69.93 0.5 . 1 . . . 1 155 THR CB . 30139 1 1588 . 1 1 155 155 THR CG2 C 13 21.77 0.5 . 1 . . . 1 155 THR CG2 . 30139 1 1589 . 1 1 155 155 THR N N 15 114.13 0.25 . 1 . . . 1 155 THR N . 30139 1 1590 . 1 1 156 156 THR H H 1 8.36 0.03 . 1 . . . 1 156 THR H . 30139 1 1591 . 1 1 156 156 THR HA H 1 4.52 0.03 . 1 . . . 1 156 THR HA . 30139 1 1592 . 1 1 156 156 THR HB H 1 4.13 0.03 . 1 . . . 1 156 THR HB . 30139 1 1593 . 1 1 156 156 THR HG21 H 1 1.20 0.03 . 1 . . . 1 156 THR HG21 . 30139 1 1594 . 1 1 156 156 THR HG22 H 1 1.20 0.03 . 1 . . . 1 156 THR HG22 . 30139 1 1595 . 1 1 156 156 THR HG23 H 1 1.20 0.03 . 1 . . . 1 156 THR HG23 . 30139 1 1596 . 1 1 156 156 THR C C 13 172.66 0.1 . 1 . . . 1 156 THR C . 30139 1 1597 . 1 1 156 156 THR CA C 13 60.48 0.5 . 1 . . . 1 156 THR CA . 30139 1 1598 . 1 1 156 156 THR CB C 13 69.50 0.5 . 1 . . . 1 156 THR CB . 30139 1 1599 . 1 1 156 156 THR CG2 C 13 21.80 0.5 . 1 . . . 1 156 THR CG2 . 30139 1 1600 . 1 1 156 156 THR N N 15 120.64 0.25 . 1 . . . 1 156 THR N . 30139 1 1601 . 1 1 157 157 PRO HA H 1 4.51 0.03 . 1 . . . 1 157 PRO HA . 30139 1 1602 . 1 1 157 157 PRO HB2 H 1 2.32 0.03 . 2 . . . 1 157 PRO HB2 . 30139 1 1603 . 1 1 157 157 PRO HG2 H 1 1.98 0.03 . 2 . . . 1 157 PRO HG2 . 30139 1 1604 . 1 1 157 157 PRO HD2 H 1 3.63 0.03 . 2 . . . 1 157 PRO HD2 . 30139 1 1605 . 1 1 157 157 PRO HD3 H 1 3.90 0.03 . 2 . . . 1 157 PRO HD3 . 30139 1 1606 . 1 1 157 157 PRO C C 13 176.89 0.1 . 1 . . . 1 157 PRO C . 30139 1 1607 . 1 1 157 157 PRO CA C 13 63.00 0.5 . 1 . . . 1 157 PRO CA . 30139 1 1608 . 1 1 157 157 PRO CB C 13 32.30 0.5 . 1 . . . 1 157 PRO CB . 30139 1 1609 . 1 1 157 157 PRO CG C 13 27.82 0.5 . 1 . . . 1 157 PRO CG . 30139 1 1610 . 1 1 157 157 PRO CD C 13 51.25 0.5 . 1 . . . 1 157 PRO CD . 30139 1 1611 . 1 1 158 158 THR H H 1 8.32 0.03 . 1 . . . 1 158 THR H . 30139 1 1612 . 1 1 158 158 THR HA H 1 4.32 0.03 . 1 . . . 1 158 THR HA . 30139 1 1613 . 1 1 158 158 THR HB H 1 4.26 0.03 . 1 . . . 1 158 THR HB . 30139 1 1614 . 1 1 158 158 THR HG21 H 1 1.20 0.03 . 1 . . . 1 158 THR HG21 . 30139 1 1615 . 1 1 158 158 THR HG22 H 1 1.20 0.03 . 1 . . . 1 158 THR HG22 . 30139 1 1616 . 1 1 158 158 THR HG23 H 1 1.20 0.03 . 1 . . . 1 158 THR HG23 . 30139 1 1617 . 1 1 158 158 THR C C 13 173.77 0.1 . 1 . . . 1 158 THR C . 30139 1 1618 . 1 1 158 158 THR CA C 13 62.68 0.5 . 1 . . . 1 158 THR CA . 30139 1 1619 . 1 1 158 158 THR CB C 13 69.84 0.5 . 1 . . . 1 158 THR CB . 30139 1 1620 . 1 1 158 158 THR CG2 C 13 21.84 0.5 . 1 . . . 1 158 THR CG2 . 30139 1 1621 . 1 1 158 158 THR N N 15 114.39 0.25 . 1 . . . 1 158 THR N . 30139 1 1622 . 1 1 159 159 GLU H H 1 7.97 0.03 . 1 . . . 1 159 GLU H . 30139 1 1623 . 1 1 159 159 GLU HA H 1 4.15 0.03 . 1 . . . 1 159 GLU HA . 30139 1 1624 . 1 1 159 159 GLU HB2 H 1 1.94 0.03 . 2 . . . 1 159 GLU HB2 . 30139 1 1625 . 1 1 159 159 GLU HB3 H 1 2.06 0.03 . 2 . . . 1 159 GLU HB3 . 30139 1 1626 . 1 1 159 159 GLU HG2 H 1 2.19 0.03 . 2 . . . 1 159 GLU HG2 . 30139 1 1627 . 1 1 159 159 GLU C C 13 180.85 0.1 . 1 . . . 1 159 GLU C . 30139 1 1628 . 1 1 159 159 GLU CA C 13 58.01 0.5 . 1 . . . 1 159 GLU CA . 30139 1 1629 . 1 1 159 159 GLU CB C 13 31.07 0.5 . 1 . . . 1 159 GLU CB . 30139 1 1630 . 1 1 159 159 GLU CG C 13 36.21 0.5 . 1 . . . 1 159 GLU CG . 30139 1 1631 . 1 1 159 159 GLU N N 15 127.47 0.25 . 1 . . . 1 159 GLU N . 30139 1 stop_ save_