data_17647 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17647 _Entry.Title ; Backbone 13C, 15N, 1H chemical shift assignment of a thermostable mutant "6B" of a Lipase from Bacillus Subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-13 _Entry.Accession_date 2011-05-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Thermostable mutant "6B" of a Lipase from Bacillus Subtilis.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Md. Zahid' Kamal . . . 17647 2 Shoeb Ahmad . . . 17647 3 Molugu 'Trivikram Rao' . . . 17647 4 Amash Vijayalakshmi . . . 17647 5 Rajan Sankaranarayanan . . . 17647 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Centre for Cellular and Molecular Biology, Council of Scientific and Industrial Research, Uppal Road, Hyderabad, India' . 17647 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17647 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 427 17647 '15N chemical shifts' 151 17647 '1H chemical shifts' 151 17647 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 . . 2012-03-07 2011-05-13 update BMRB 'update entry citation' 17647 1 . . 2011-10-12 2011-05-13 original author 'original release' 17647 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3QMN . 17647 stop_ save_ ############### # Citations # ############### save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 17647 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21925508 _Citation.Full_citation . _Citation.Title 'In vitro evolved non-aggregating and thermostable lipase: structural and thermodynamic investigation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 413 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 726 _Citation.Page_last 741 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Md Zahid' Kamal . . . 17647 1 2 Shoeb Ahmad . . . 17647 1 3 'Trivikram Rao' Molugu . . . 17647 1 4 Amash Vijayalakshmi . . . 17647 1 5 Mandar Deshmukh . V. . 17647 1 6 Rajan Sankaranarayanan . . . 17647 1 7 'Nalam Madhusudhana' Rao . . . 17647 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17647 _Assembly.ID 1 _Assembly.Name 6B _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 6B 1 $6B A . yes native no no . . . 17647 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_6B _Entity.Sf_category entity _Entity.Sf_framecode 6B _Entity.Entry_ID 17647 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 6B _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AEHNPVVMVHGIGGSSSNFE GIKSYLVSQGWSRDKLYAVD FWDKTGTNYNNGPVLSRFVQ KVLDETGAKKVDIVAHSMGG ANTLYYIKYLDGGNKVANVV TLGGANRLTTDKAPPGTDPN QKILYTSIYSSDDEIVPNYL SRLDGARNVQIHGVGHMGLL YSPQVYSLIKEGLNGGGQNT N ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 181 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3D2C . "Structure Of 4d3, A Thermostable Mutant Of Bacillus Subtilis Lipase Obtained Through Directed Evolution" . . . . . 100.00 181 98.34 98.34 1.16e-123 . . . . 17647 1 2 no PDB 3QMM . "Structure Of 6b, A Thermostable Mutant Of Bacillus Subtilis Lipase Obtained Through Directed Evolution" . . . . . 100.00 181 100.00 100.00 5.31e-127 . . . . 17647 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 17647 1 2 . GLU . 17647 1 3 . HIS . 17647 1 4 . ASN . 17647 1 5 . PRO . 17647 1 6 . VAL . 17647 1 7 . VAL . 17647 1 8 . MET . 17647 1 9 . VAL . 17647 1 10 . HIS . 17647 1 11 . GLY . 17647 1 12 . ILE . 17647 1 13 . GLY . 17647 1 14 . GLY . 17647 1 15 . SER . 17647 1 16 . SER . 17647 1 17 . SER . 17647 1 18 . ASN . 17647 1 19 . PHE . 17647 1 20 . GLU . 17647 1 21 . GLY . 17647 1 22 . ILE . 17647 1 23 . LYS . 17647 1 24 . SER . 17647 1 25 . TYR . 17647 1 26 . LEU . 17647 1 27 . VAL . 17647 1 28 . SER . 17647 1 29 . GLN . 17647 1 30 . GLY . 17647 1 31 . TRP . 17647 1 32 . SER . 17647 1 33 . ARG . 17647 1 34 . ASP . 17647 1 35 . LYS . 17647 1 36 . LEU . 17647 1 37 . TYR . 17647 1 38 . ALA . 17647 1 39 . VAL . 17647 1 40 . ASP . 17647 1 41 . PHE . 17647 1 42 . TRP . 17647 1 43 . ASP . 17647 1 44 . LYS . 17647 1 45 . THR . 17647 1 46 . GLY . 17647 1 47 . THR . 17647 1 48 . ASN . 17647 1 49 . TYR . 17647 1 50 . ASN . 17647 1 51 . ASN . 17647 1 52 . GLY . 17647 1 53 . PRO . 17647 1 54 . VAL . 17647 1 55 . LEU . 17647 1 56 . SER . 17647 1 57 . ARG . 17647 1 58 . PHE . 17647 1 59 . VAL . 17647 1 60 . GLN . 17647 1 61 . LYS . 17647 1 62 . VAL . 17647 1 63 . LEU . 17647 1 64 . ASP . 17647 1 65 . GLU . 17647 1 66 . THR . 17647 1 67 . GLY . 17647 1 68 . ALA . 17647 1 69 . LYS . 17647 1 70 . LYS . 17647 1 71 . VAL . 17647 1 72 . ASP . 17647 1 73 . ILE . 17647 1 74 . VAL . 17647 1 75 . ALA . 17647 1 76 . HIS . 17647 1 77 . SER . 17647 1 78 . MET . 17647 1 79 . GLY . 17647 1 80 . GLY . 17647 1 81 . ALA . 17647 1 82 . ASN . 17647 1 83 . THR . 17647 1 84 . LEU . 17647 1 85 . TYR . 17647 1 86 . TYR . 17647 1 87 . ILE . 17647 1 88 . LYS . 17647 1 89 . TYR . 17647 1 90 . LEU . 17647 1 91 . ASP . 17647 1 92 . GLY . 17647 1 93 . GLY . 17647 1 94 . ASN . 17647 1 95 . LYS . 17647 1 96 . VAL . 17647 1 97 . ALA . 17647 1 98 . ASN . 17647 1 99 . VAL . 17647 1 100 . VAL . 17647 1 101 . THR . 17647 1 102 . LEU . 17647 1 103 . GLY . 17647 1 104 . GLY . 17647 1 105 . ALA . 17647 1 106 . ASN . 17647 1 107 . ARG . 17647 1 108 . LEU . 17647 1 109 . THR . 17647 1 110 . THR . 17647 1 111 . ASP . 17647 1 112 . LYS . 17647 1 113 . ALA . 17647 1 114 . PRO . 17647 1 115 . PRO . 17647 1 116 . GLY . 17647 1 117 . THR . 17647 1 118 . ASP . 17647 1 119 . PRO . 17647 1 120 . ASN . 17647 1 121 . GLN . 17647 1 122 . LYS . 17647 1 123 . ILE . 17647 1 124 . LEU . 17647 1 125 . TYR . 17647 1 126 . THR . 17647 1 127 . SER . 17647 1 128 . ILE . 17647 1 129 . TYR . 17647 1 130 . SER . 17647 1 131 . SER . 17647 1 132 . ASP . 17647 1 133 . ASP . 17647 1 134 . GLU . 17647 1 135 . ILE . 17647 1 136 . VAL . 17647 1 137 . PRO . 17647 1 138 . ASN . 17647 1 139 . TYR . 17647 1 140 . LEU . 17647 1 141 . SER . 17647 1 142 . ARG . 17647 1 143 . LEU . 17647 1 144 . ASP . 17647 1 145 . GLY . 17647 1 146 . ALA . 17647 1 147 . ARG . 17647 1 148 . ASN . 17647 1 149 . VAL . 17647 1 150 . GLN . 17647 1 151 . ILE . 17647 1 152 . HIS . 17647 1 153 . GLY . 17647 1 154 . VAL . 17647 1 155 . GLY . 17647 1 156 . HIS . 17647 1 157 . MET . 17647 1 158 . GLY . 17647 1 159 . LEU . 17647 1 160 . LEU . 17647 1 161 . TYR . 17647 1 162 . SER . 17647 1 163 . PRO . 17647 1 164 . GLN . 17647 1 165 . VAL . 17647 1 166 . TYR . 17647 1 167 . SER . 17647 1 168 . LEU . 17647 1 169 . ILE . 17647 1 170 . LYS . 17647 1 171 . GLU . 17647 1 172 . GLY . 17647 1 173 . LEU . 17647 1 174 . ASN . 17647 1 175 . GLY . 17647 1 176 . GLY . 17647 1 177 . GLY . 17647 1 178 . GLN . 17647 1 179 . ASN . 17647 1 180 . THR . 17647 1 181 . ASN . 17647 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 . ALA 1 1 17647 1 . GLU 2 2 17647 1 . HIS 3 3 17647 1 . ASN 4 4 17647 1 . PRO 5 5 17647 1 . VAL 6 6 17647 1 . VAL 7 7 17647 1 . MET 8 8 17647 1 . VAL 9 9 17647 1 . HIS 10 10 17647 1 . GLY 11 11 17647 1 . ILE 12 12 17647 1 . GLY 13 13 17647 1 . GLY 14 14 17647 1 . SER 15 15 17647 1 . SER 16 16 17647 1 . SER 17 17 17647 1 . ASN 18 18 17647 1 . PHE 19 19 17647 1 . GLU 20 20 17647 1 . GLY 21 21 17647 1 . ILE 22 22 17647 1 . LYS 23 23 17647 1 . SER 24 24 17647 1 . TYR 25 25 17647 1 . LEU 26 26 17647 1 . VAL 27 27 17647 1 . SER 28 28 17647 1 . GLN 29 29 17647 1 . GLY 30 30 17647 1 . TRP 31 31 17647 1 . SER 32 32 17647 1 . ARG 33 33 17647 1 . ASP 34 34 17647 1 . LYS 35 35 17647 1 . LEU 36 36 17647 1 . TYR 37 37 17647 1 . ALA 38 38 17647 1 . VAL 39 39 17647 1 . ASP 40 40 17647 1 . PHE 41 41 17647 1 . TRP 42 42 17647 1 . ASP 43 43 17647 1 . LYS 44 44 17647 1 . THR 45 45 17647 1 . GLY 46 46 17647 1 . THR 47 47 17647 1 . ASN 48 48 17647 1 . TYR 49 49 17647 1 . ASN 50 50 17647 1 . ASN 51 51 17647 1 . GLY 52 52 17647 1 . PRO 53 53 17647 1 . VAL 54 54 17647 1 . LEU 55 55 17647 1 . SER 56 56 17647 1 . ARG 57 57 17647 1 . PHE 58 58 17647 1 . VAL 59 59 17647 1 . GLN 60 60 17647 1 . LYS 61 61 17647 1 . VAL 62 62 17647 1 . LEU 63 63 17647 1 . ASP 64 64 17647 1 . GLU 65 65 17647 1 . THR 66 66 17647 1 . GLY 67 67 17647 1 . ALA 68 68 17647 1 . LYS 69 69 17647 1 . LYS 70 70 17647 1 . VAL 71 71 17647 1 . ASP 72 72 17647 1 . ILE 73 73 17647 1 . VAL 74 74 17647 1 . ALA 75 75 17647 1 . HIS 76 76 17647 1 . SER 77 77 17647 1 . MET 78 78 17647 1 . GLY 79 79 17647 1 . GLY 80 80 17647 1 . ALA 81 81 17647 1 . ASN 82 82 17647 1 . THR 83 83 17647 1 . LEU 84 84 17647 1 . TYR 85 85 17647 1 . TYR 86 86 17647 1 . ILE 87 87 17647 1 . LYS 88 88 17647 1 . TYR 89 89 17647 1 . LEU 90 90 17647 1 . ASP 91 91 17647 1 . GLY 92 92 17647 1 . GLY 93 93 17647 1 . ASN 94 94 17647 1 . LYS 95 95 17647 1 . VAL 96 96 17647 1 . ALA 97 97 17647 1 . ASN 98 98 17647 1 . VAL 99 99 17647 1 . VAL 100 100 17647 1 . THR 101 101 17647 1 . LEU 102 102 17647 1 . GLY 103 103 17647 1 . GLY 104 104 17647 1 . ALA 105 105 17647 1 . ASN 106 106 17647 1 . ARG 107 107 17647 1 . LEU 108 108 17647 1 . THR 109 109 17647 1 . THR 110 110 17647 1 . ASP 111 111 17647 1 . LYS 112 112 17647 1 . ALA 113 113 17647 1 . PRO 114 114 17647 1 . PRO 115 115 17647 1 . GLY 116 116 17647 1 . THR 117 117 17647 1 . ASP 118 118 17647 1 . PRO 119 119 17647 1 . ASN 120 120 17647 1 . GLN 121 121 17647 1 . LYS 122 122 17647 1 . ILE 123 123 17647 1 . LEU 124 124 17647 1 . TYR 125 125 17647 1 . THR 126 126 17647 1 . SER 127 127 17647 1 . ILE 128 128 17647 1 . TYR 129 129 17647 1 . SER 130 130 17647 1 . SER 131 131 17647 1 . ASP 132 132 17647 1 . ASP 133 133 17647 1 . GLU 134 134 17647 1 . ILE 135 135 17647 1 . VAL 136 136 17647 1 . PRO 137 137 17647 1 . ASN 138 138 17647 1 . TYR 139 139 17647 1 . LEU 140 140 17647 1 . SER 141 141 17647 1 . ARG 142 142 17647 1 . LEU 143 143 17647 1 . ASP 144 144 17647 1 . GLY 145 145 17647 1 . ALA 146 146 17647 1 . ARG 147 147 17647 1 . ASN 148 148 17647 1 . VAL 149 149 17647 1 . GLN 150 150 17647 1 . ILE 151 151 17647 1 . HIS 152 152 17647 1 . GLY 153 153 17647 1 . VAL 154 154 17647 1 . GLY 155 155 17647 1 . HIS 156 156 17647 1 . MET 157 157 17647 1 . GLY 158 158 17647 1 . LEU 159 159 17647 1 . LEU 160 160 17647 1 . TYR 161 161 17647 1 . SER 162 162 17647 1 . PRO 163 163 17647 1 . GLN 164 164 17647 1 . VAL 165 165 17647 1 . TYR 166 166 17647 1 . SER 167 167 17647 1 . LEU 168 168 17647 1 . ILE 169 169 17647 1 . LYS 170 170 17647 1 . GLU 171 171 17647 1 . GLY 172 172 17647 1 . LEU 173 173 17647 1 . ASN 174 174 17647 1 . GLY 175 175 17647 1 . GLY 176 176 17647 1 . GLY 177 177 17647 1 . GLN 178 178 17647 1 . ASN 179 179 17647 1 . THR 180 180 17647 1 . ASN 181 181 17647 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17647 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $6B . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 17647 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 17647 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $6B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET22b . . . . . . 17647 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17647 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 6B '[U-13C; U-15N; 2H (80%)]' . . 1 $6B . . 0.5 . . mM . . . . 17647 1 2 6B [15N] . . 1 $6B . . 0.2 . . mM . . . . 17647 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17647 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17647 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17647 _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' 0.05 . M 17647 1 pH 5.7 . pH 17647 1 pressure 1 . atm 17647 1 temperature 298 . K 17647 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17647 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17647 1 'Keller and Wuthrich' . . 17647 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17647 1 collection 17647 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17647 _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 17647 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17647 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 17647 _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' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17647 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17647 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17647 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17647 1 5 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17647 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17647 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17647 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17647 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17647 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17647 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17647 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17647 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17647 1 2 '3D HNCO' . . . 17647 1 3 '3D HN(CA)CO' . . . 17647 1 4 '3D HN(COCA)CB' . . . 17647 1 5 '3D HN(CA)CB' . . . 17647 1 6 '3D HN(CO)CA' . . . 17647 1 7 '3D HNCA' . . . 17647 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 GLU H H 1 8.379 0.020 . 1 . . . . 2 GLU H . 17647 1 2 . 1 1 2 2 GLU C C 13 175.653 0.300 . 1 . . . . 2 GLU C . 17647 1 3 . 1 1 2 2 GLU CA C 13 54.816 0.300 . 1 . . . . 2 GLU CA . 17647 1 4 . 1 1 2 2 GLU CB C 13 29.291 0.300 . 1 . . . . 2 GLU CB . 17647 1 5 . 1 1 2 2 GLU N N 15 120.829 0.300 . 1 . . . . 2 GLU N . 17647 1 6 . 1 1 3 3 HIS H H 1 8.207 0.020 . 1 . . . . 3 HIS H . 17647 1 7 . 1 1 3 3 HIS C C 13 174.787 0.300 . 1 . . . . 3 HIS C . 17647 1 8 . 1 1 3 3 HIS CA C 13 53.949 0.300 . 1 . . . . 3 HIS CA . 17647 1 9 . 1 1 3 3 HIS CB C 13 28.633 0.300 . 1 . . . . 3 HIS CB . 17647 1 10 . 1 1 3 3 HIS N N 15 120.391 0.300 . 1 . . . . 3 HIS N . 17647 1 11 . 1 1 4 4 ASN H H 1 9.170 0.020 . 1 . . . . 4 ASN H . 17647 1 12 . 1 1 4 4 ASN C C 13 175.387 0.300 . 1 . . . . 4 ASN C . 17647 1 13 . 1 1 4 4 ASN CA C 13 51.580 0.300 . 1 . . . . 4 ASN CA . 17647 1 14 . 1 1 4 4 ASN CB C 13 35.515 0.300 . 1 . . . . 4 ASN CB . 17647 1 15 . 1 1 4 4 ASN N N 15 123.056 0.300 . 1 . . . . 4 ASN N . 17647 1 16 . 1 1 6 6 VAL H H 1 8.262 0.020 . 1 . . . . 6 VAL H . 17647 1 17 . 1 1 6 6 VAL C C 13 174.305 0.300 . 1 . . . . 6 VAL C . 17647 1 18 . 1 1 6 6 VAL CA C 13 59.765 0.300 . 1 . . . . 6 VAL CA . 17647 1 19 . 1 1 6 6 VAL CB C 13 33.436 0.300 . 1 . . . . 6 VAL CB . 17647 1 20 . 1 1 6 6 VAL N N 15 122.128 0.300 . 1 . . . . 6 VAL N . 17647 1 21 . 1 1 7 7 VAL H H 1 9.235 0.020 . 1 . . . . 7 VAL H . 17647 1 22 . 1 1 7 7 VAL C C 13 174.426 0.300 . 1 . . . . 7 VAL C . 17647 1 23 . 1 1 7 7 VAL CA C 13 60.109 0.300 . 1 . . . . 7 VAL CA . 17647 1 24 . 1 1 7 7 VAL CB C 13 32.440 0.300 . 1 . . . . 7 VAL CB . 17647 1 25 . 1 1 7 7 VAL N N 15 127.532 0.300 . 1 . . . . 7 VAL N . 17647 1 26 . 1 1 9 9 VAL H H 1 8.547 0.020 . 1 . . . . 9 VAL H . 17647 1 27 . 1 1 9 9 VAL C C 13 174.057 0.300 . 1 . . . . 9 VAL C . 17647 1 28 . 1 1 9 9 VAL CA C 13 62.408 0.300 . 1 . . . . 9 VAL CA . 17647 1 29 . 1 1 9 9 VAL CB C 13 33.299 0.300 . 1 . . . . 9 VAL CB . 17647 1 30 . 1 1 9 9 VAL N N 15 126.431 0.300 . 1 . . . . 9 VAL N . 17647 1 31 . 1 1 10 10 HIS H H 1 7.640 0.020 . 1 . . . . 10 HIS H . 17647 1 32 . 1 1 10 10 HIS C C 13 173.966 0.300 . 1 . . . . 10 HIS C . 17647 1 33 . 1 1 10 10 HIS CA C 13 55.405 0.300 . 1 . . . . 10 HIS CA . 17647 1 34 . 1 1 10 10 HIS CB C 13 29.099 0.300 . 1 . . . . 10 HIS CB . 17647 1 35 . 1 1 10 10 HIS N N 15 128.195 0.300 . 1 . . . . 10 HIS N . 17647 1 36 . 1 1 11 11 GLY H H 1 9.690 0.020 . 1 . . . . 11 GLY H . 17647 1 37 . 1 1 11 11 GLY C C 13 176.958 0.300 . 1 . . . . 11 GLY C . 17647 1 38 . 1 1 11 11 GLY CA C 13 43.535 0.300 . 1 . . . . 11 GLY CA . 17647 1 39 . 1 1 11 11 GLY N N 15 106.170 0.300 . 1 . . . . 11 GLY N . 17647 1 40 . 1 1 12 12 ILE H H 1 8.811 0.020 . 1 . . . . 12 ILE H . 17647 1 41 . 1 1 12 12 ILE C C 13 178.490 0.300 . 1 . . . . 12 ILE C . 17647 1 42 . 1 1 12 12 ILE CA C 13 63.461 0.300 . 1 . . . . 12 ILE CA . 17647 1 43 . 1 1 12 12 ILE CB C 13 36.208 0.300 . 1 . . . . 12 ILE CB . 17647 1 44 . 1 1 12 12 ILE N N 15 124.422 0.300 . 1 . . . . 12 ILE N . 17647 1 45 . 1 1 13 13 GLY H H 1 9.214 0.020 . 1 . . . . 13 GLY H . 17647 1 46 . 1 1 13 13 GLY C C 13 174.198 0.300 . 1 . . . . 13 GLY C . 17647 1 47 . 1 1 13 13 GLY CA C 13 45.091 0.300 . 1 . . . . 13 GLY CA . 17647 1 48 . 1 1 13 13 GLY N N 15 117.923 0.300 . 1 . . . . 13 GLY N . 17647 1 49 . 1 1 14 14 GLY H H 1 7.798 0.020 . 1 . . . . 14 GLY H . 17647 1 50 . 1 1 14 14 GLY C C 13 170.594 0.300 . 1 . . . . 14 GLY C . 17647 1 51 . 1 1 14 14 GLY CA C 13 43.415 0.300 . 1 . . . . 14 GLY CA . 17647 1 52 . 1 1 14 14 GLY N N 15 107.113 0.300 . 1 . . . . 14 GLY N . 17647 1 53 . 1 1 15 15 SER H H 1 7.103 0.020 . 1 . . . . 15 SER H . 17647 1 54 . 1 1 15 15 SER C C 13 174.637 0.300 . 1 . . . . 15 SER C . 17647 1 55 . 1 1 15 15 SER CA C 13 56.522 0.300 . 1 . . . . 15 SER CA . 17647 1 56 . 1 1 15 15 SER CB C 13 64.603 0.300 . 1 . . . . 15 SER CB . 17647 1 57 . 1 1 15 15 SER N N 15 108.495 0.300 . 1 . . . . 15 SER N . 17647 1 58 . 1 1 16 16 SER H H 1 9.534 0.020 . 1 . . . . 16 SER H . 17647 1 59 . 1 1 16 16 SER C C 13 174.669 0.300 . 1 . . . . 16 SER C . 17647 1 60 . 1 1 16 16 SER CA C 13 60.270 0.300 . 1 . . . . 16 SER CA . 17647 1 61 . 1 1 16 16 SER CB C 13 68.226 0.300 . 1 . . . . 16 SER CB . 17647 1 62 . 1 1 16 16 SER N N 15 120.675 0.300 . 1 . . . . 16 SER N . 17647 1 63 . 1 1 17 17 SER H H 1 8.133 0.020 . 1 . . . . 17 SER H . 17647 1 64 . 1 1 17 17 SER C C 13 175.672 0.300 . 1 . . . . 17 SER C . 17647 1 65 . 1 1 17 17 SER CA C 13 60.436 0.300 . 1 . . . . 17 SER CA . 17647 1 66 . 1 1 17 17 SER CB C 13 61.815 0.300 . 1 . . . . 17 SER CB . 17647 1 67 . 1 1 17 17 SER N N 15 119.553 0.300 . 1 . . . . 17 SER N . 17647 1 68 . 1 1 18 18 ASN H H 1 8.064 0.020 . 1 . . . . 18 ASN H . 17647 1 69 . 1 1 18 18 ASN C C 13 174.080 0.300 . 1 . . . . 18 ASN C . 17647 1 70 . 1 1 18 18 ASN CA C 13 54.248 0.300 . 1 . . . . 18 ASN CA . 17647 1 71 . 1 1 18 18 ASN CB C 13 38.149 0.300 . 1 . . . . 18 ASN CB . 17647 1 72 . 1 1 18 18 ASN N N 15 120.637 0.300 . 1 . . . . 18 ASN N . 17647 1 73 . 1 1 19 19 PHE H H 1 7.304 0.020 . 1 . . . . 19 PHE H . 17647 1 74 . 1 1 19 19 PHE C C 13 174.779 0.300 . 1 . . . . 19 PHE C . 17647 1 75 . 1 1 19 19 PHE CA C 13 59.254 0.300 . 1 . . . . 19 PHE CA . 17647 1 76 . 1 1 19 19 PHE CB C 13 38.462 0.300 . 1 . . . . 19 PHE CB . 17647 1 77 . 1 1 19 19 PHE N N 15 112.600 0.300 . 1 . . . . 19 PHE N . 17647 1 78 . 1 1 20 20 GLU H H 1 7.237 0.020 . 1 . . . . 20 GLU H . 17647 1 79 . 1 1 20 20 GLU C C 13 178.388 0.300 . 1 . . . . 20 GLU C . 17647 1 80 . 1 1 20 20 GLU CA C 13 59.475 0.300 . 1 . . . . 20 GLU CA . 17647 1 81 . 1 1 20 20 GLU CB C 13 28.366 0.300 . 1 . . . . 20 GLU CB . 17647 1 82 . 1 1 20 20 GLU N N 15 120.012 0.300 . 1 . . . . 20 GLU N . 17647 1 83 . 1 1 21 21 GLY H H 1 7.896 0.020 . 1 . . . . 21 GLY H . 17647 1 84 . 1 1 21 21 GLY C C 13 176.259 0.300 . 1 . . . . 21 GLY C . 17647 1 85 . 1 1 21 21 GLY CA C 13 46.707 0.300 . 1 . . . . 21 GLY CA . 17647 1 86 . 1 1 21 21 GLY N N 15 109.968 0.300 . 1 . . . . 21 GLY N . 17647 1 87 . 1 1 22 22 ILE H H 1 7.932 0.020 . 1 . . . . 22 ILE H . 17647 1 88 . 1 1 22 22 ILE C C 13 177.365 0.300 . 1 . . . . 22 ILE C . 17647 1 89 . 1 1 22 22 ILE CA C 13 64.706 0.300 . 1 . . . . 22 ILE CA . 17647 1 90 . 1 1 22 22 ILE CB C 13 37.407 0.300 . 1 . . . . 22 ILE CB . 17647 1 91 . 1 1 22 22 ILE N N 15 125.086 0.300 . 1 . . . . 22 ILE N . 17647 1 92 . 1 1 23 23 LYS H H 1 8.726 0.020 . 1 . . . . 23 LYS H . 17647 1 93 . 1 1 23 23 LYS C C 13 177.191 0.300 . 1 . . . . 23 LYS C . 17647 1 94 . 1 1 23 23 LYS CA C 13 60.254 0.300 . 1 . . . . 23 LYS CA . 17647 1 95 . 1 1 23 23 LYS CB C 13 31.787 0.300 . 1 . . . . 23 LYS CB . 17647 1 96 . 1 1 23 23 LYS N N 15 119.247 0.300 . 1 . . . . 23 LYS N . 17647 1 97 . 1 1 27 27 VAL H H 1 8.372 0.020 . 1 . . . . 27 VAL H . 17647 1 98 . 1 1 27 27 VAL C C 13 180.605 0.300 . 1 . . . . 27 VAL C . 17647 1 99 . 1 1 27 27 VAL CA C 13 65.019 0.300 . 1 . . . . 27 VAL CA . 17647 1 100 . 1 1 27 27 VAL CB C 13 30.519 0.300 . 1 . . . . 27 VAL CB . 17647 1 101 . 1 1 27 27 VAL N N 15 123.249 0.300 . 1 . . . . 27 VAL N . 17647 1 102 . 1 1 28 28 SER H H 1 7.737 0.020 . 1 . . . . 28 SER H . 17647 1 103 . 1 1 28 28 SER C C 13 174.508 0.300 . 1 . . . . 28 SER C . 17647 1 104 . 1 1 28 28 SER CA C 13 60.857 0.300 . 1 . . . . 28 SER CA . 17647 1 105 . 1 1 28 28 SER CB C 13 65.140 0.300 . 1 . . . . 28 SER CB . 17647 1 106 . 1 1 28 28 SER N N 15 119.069 0.300 . 1 . . . . 28 SER N . 17647 1 107 . 1 1 29 29 GLN H H 1 7.257 0.020 . 1 . . . . 29 GLN H . 17647 1 108 . 1 1 29 29 GLN C C 13 176.036 0.300 . 1 . . . . 29 GLN C . 17647 1 109 . 1 1 29 29 GLN CA C 13 53.230 0.300 . 1 . . . . 29 GLN CA . 17647 1 110 . 1 1 29 29 GLN CB C 13 28.094 0.300 . 1 . . . . 29 GLN CB . 17647 1 111 . 1 1 29 29 GLN N N 15 118.432 0.300 . 1 . . . . 29 GLN N . 17647 1 112 . 1 1 30 30 GLY H H 1 7.884 0.020 . 1 . . . . 30 GLY H . 17647 1 113 . 1 1 30 30 GLY C C 13 174.945 0.300 . 1 . . . . 30 GLY C . 17647 1 114 . 1 1 30 30 GLY CA C 13 45.272 0.300 . 1 . . . . 30 GLY CA . 17647 1 115 . 1 1 30 30 GLY N N 15 108.235 0.300 . 1 . . . . 30 GLY N . 17647 1 116 . 1 1 31 31 TRP H H 1 8.506 0.020 . 1 . . . . 31 TRP H . 17647 1 117 . 1 1 31 31 TRP C C 13 175.805 0.300 . 1 . . . . 31 TRP C . 17647 1 118 . 1 1 31 31 TRP CA C 13 59.275 0.300 . 1 . . . . 31 TRP CA . 17647 1 119 . 1 1 31 31 TRP CB C 13 30.626 0.300 . 1 . . . . 31 TRP CB . 17647 1 120 . 1 1 31 31 TRP N N 15 126.385 0.300 . 1 . . . . 31 TRP N . 17647 1 121 . 1 1 32 32 SER H H 1 9.470 0.020 . 1 . . . . 32 SER H . 17647 1 122 . 1 1 32 32 SER C C 13 176.214 0.300 . 1 . . . . 32 SER C . 17647 1 123 . 1 1 32 32 SER CA C 13 57.240 0.300 . 1 . . . . 32 SER CA . 17647 1 124 . 1 1 32 32 SER CB C 13 62.652 0.300 . 1 . . . . 32 SER CB . 17647 1 125 . 1 1 32 32 SER N N 15 118.763 0.300 . 1 . . . . 32 SER N . 17647 1 126 . 1 1 33 33 ARG H H 1 9.055 0.020 . 1 . . . . 33 ARG H . 17647 1 127 . 1 1 33 33 ARG C C 13 176.911 0.300 . 1 . . . . 33 ARG C . 17647 1 128 . 1 1 33 33 ARG CA C 13 59.162 0.300 . 1 . . . . 33 ARG CA . 17647 1 129 . 1 1 33 33 ARG CB C 13 28.992 0.300 . 1 . . . . 33 ARG CB . 17647 1 130 . 1 1 33 33 ARG N N 15 128.908 0.300 . 1 . . . . 33 ARG N . 17647 1 131 . 1 1 34 34 ASP H H 1 8.030 0.020 . 1 . . . . 34 ASP H . 17647 1 132 . 1 1 34 34 ASP C C 13 175.941 0.300 . 1 . . . . 34 ASP C . 17647 1 133 . 1 1 34 34 ASP CA C 13 54.068 0.300 . 1 . . . . 34 ASP CA . 17647 1 134 . 1 1 34 34 ASP CB C 13 38.986 0.300 . 1 . . . . 34 ASP CB . 17647 1 135 . 1 1 34 34 ASP N N 15 114.353 0.300 . 1 . . . . 34 ASP N . 17647 1 136 . 1 1 35 35 LYS H H 1 7.481 0.020 . 1 . . . . 35 LYS H . 17647 1 137 . 1 1 35 35 LYS C C 13 174.566 0.300 . 1 . . . . 35 LYS C . 17647 1 138 . 1 1 35 35 LYS CA C 13 54.016 0.300 . 1 . . . . 35 LYS CA . 17647 1 139 . 1 1 35 35 LYS CB C 13 31.787 0.300 . 1 . . . . 35 LYS CB . 17647 1 140 . 1 1 35 35 LYS N N 15 118.330 0.300 . 1 . . . . 35 LYS N . 17647 1 141 . 1 1 36 36 LEU H H 1 6.834 0.020 . 1 . . . . 36 LEU H . 17647 1 142 . 1 1 36 36 LEU C C 13 174.488 0.300 . 1 . . . . 36 LEU C . 17647 1 143 . 1 1 36 36 LEU CA C 13 53.214 0.300 . 1 . . . . 36 LEU CA . 17647 1 144 . 1 1 36 36 LEU CB C 13 41.500 0.300 . 1 . . . . 36 LEU CB . 17647 1 145 . 1 1 36 36 LEU N N 15 122.051 0.300 . 1 . . . . 36 LEU N . 17647 1 146 . 1 1 37 37 TYR H H 1 9.242 0.020 . 1 . . . . 37 TYR H . 17647 1 147 . 1 1 37 37 TYR C C 13 174.422 0.300 . 1 . . . . 37 TYR C . 17647 1 148 . 1 1 37 37 TYR CA C 13 56.268 0.300 . 1 . . . . 37 TYR CA . 17647 1 149 . 1 1 37 37 TYR CB C 13 41.176 0.300 . 1 . . . . 37 TYR CB . 17647 1 150 . 1 1 37 37 TYR N N 15 123.107 0.300 . 1 . . . . 37 TYR N . 17647 1 151 . 1 1 38 38 ALA H H 1 9.006 0.020 . 1 . . . . 38 ALA H . 17647 1 152 . 1 1 38 38 ALA C C 13 173.882 0.300 . 1 . . . . 38 ALA C . 17647 1 153 . 1 1 38 38 ALA CA C 13 50.593 0.300 . 1 . . . . 38 ALA CA . 17647 1 154 . 1 1 38 38 ALA CB C 13 20.638 0.300 . 1 . . . . 38 ALA CB . 17647 1 155 . 1 1 38 38 ALA N N 15 124.447 0.300 . 1 . . . . 38 ALA N . 17647 1 156 . 1 1 39 39 VAL H H 1 6.712 0.020 . 1 . . . . 39 VAL H . 17647 1 157 . 1 1 39 39 VAL C C 13 172.213 0.300 . 1 . . . . 39 VAL C . 17647 1 158 . 1 1 39 39 VAL CA C 13 59.096 0.300 . 1 . . . . 39 VAL CA . 17647 1 159 . 1 1 39 39 VAL CB C 13 31.863 0.300 . 1 . . . . 39 VAL CB . 17647 1 160 . 1 1 39 39 VAL N N 15 122.153 0.300 . 1 . . . . 39 VAL N . 17647 1 161 . 1 1 40 40 ASP H H 1 7.696 0.020 . 1 . . . . 40 ASP H . 17647 1 162 . 1 1 40 40 ASP C C 13 174.982 0.300 . 1 . . . . 40 ASP C . 17647 1 163 . 1 1 40 40 ASP CA C 13 53.943 0.300 . 1 . . . . 40 ASP CA . 17647 1 164 . 1 1 40 40 ASP CB C 13 43.027 0.300 . 1 . . . . 40 ASP CB . 17647 1 165 . 1 1 40 40 ASP N N 15 124.196 0.300 . 1 . . . . 40 ASP N . 17647 1 166 . 1 1 41 41 PHE H H 1 10.410 0.020 . 1 . . . . 41 PHE H . 17647 1 167 . 1 1 41 41 PHE C C 13 175.784 0.300 . 1 . . . . 41 PHE C . 17647 1 168 . 1 1 41 41 PHE CA C 13 56.163 0.300 . 1 . . . . 41 PHE CA . 17647 1 169 . 1 1 41 41 PHE CB C 13 37.087 0.300 . 1 . . . . 41 PHE CB . 17647 1 170 . 1 1 41 41 PHE N N 15 126.589 0.300 . 1 . . . . 41 PHE N . 17647 1 171 . 1 1 42 42 TRP H H 1 7.676 0.020 . 1 . . . . 42 TRP H . 17647 1 172 . 1 1 42 42 TRP C C 13 177.029 0.300 . 1 . . . . 42 TRP C . 17647 1 173 . 1 1 42 42 TRP CA C 13 56.163 0.300 . 1 . . . . 42 TRP CA . 17647 1 174 . 1 1 42 42 TRP CB C 13 27.897 0.300 . 1 . . . . 42 TRP CB . 17647 1 175 . 1 1 42 42 TRP N N 15 121.210 0.300 . 1 . . . . 42 TRP N . 17647 1 176 . 1 1 43 43 ASP H H 1 7.188 0.020 . 1 . . . . 43 ASP H . 17647 1 177 . 1 1 43 43 ASP C C 13 177.387 0.300 . 1 . . . . 43 ASP C . 17647 1 178 . 1 1 43 43 ASP CA C 13 53.256 0.300 . 1 . . . . 43 ASP CA . 17647 1 179 . 1 1 43 43 ASP CB C 13 37.995 0.300 . 1 . . . . 43 ASP CB . 17647 1 180 . 1 1 43 43 ASP N N 15 122.187 0.300 . 1 . . . . 43 ASP N . 17647 1 181 . 1 1 44 44 LYS H H 1 8.787 0.020 . 1 . . . . 44 LYS H . 17647 1 182 . 1 1 44 44 LYS C C 13 177.386 0.300 . 1 . . . . 44 LYS C . 17647 1 183 . 1 1 44 44 LYS CA C 13 56.604 0.300 . 1 . . . . 44 LYS CA . 17647 1 184 . 1 1 44 44 LYS CB C 13 30.863 0.300 . 1 . . . . 44 LYS CB . 17647 1 185 . 1 1 44 44 LYS N N 15 127.634 0.300 . 1 . . . . 44 LYS N . 17647 1 186 . 1 1 45 45 THR H H 1 8.640 0.020 . 1 . . . . 45 THR H . 17647 1 187 . 1 1 45 45 THR C C 13 175.890 0.300 . 1 . . . . 45 THR C . 17647 1 188 . 1 1 45 45 THR CA C 13 61.980 0.300 . 1 . . . . 45 THR CA . 17647 1 189 . 1 1 45 45 THR CB C 13 68.936 0.300 . 1 . . . . 45 THR CB . 17647 1 190 . 1 1 45 45 THR N N 15 110.300 0.300 . 1 . . . . 45 THR N . 17647 1 191 . 1 1 46 46 GLY H H 1 7.310 0.020 . 1 . . . . 46 GLY H . 17647 1 192 . 1 1 46 46 GLY C C 13 172.988 0.300 . 1 . . . . 46 GLY C . 17647 1 193 . 1 1 46 46 GLY CA C 13 46.228 0.300 . 1 . . . . 46 GLY CA . 17647 1 194 . 1 1 46 46 GLY N N 15 108.413 0.300 . 1 . . . . 46 GLY N . 17647 1 195 . 1 1 47 47 THR H H 1 6.859 0.020 . 1 . . . . 47 THR H . 17647 1 196 . 1 1 47 47 THR C C 13 175.525 0.300 . 1 . . . . 47 THR C . 17647 1 197 . 1 1 47 47 THR CA C 13 61.849 0.300 . 1 . . . . 47 THR CA . 17647 1 198 . 1 1 47 47 THR CB C 13 68.731 0.300 . 1 . . . . 47 THR CB . 17647 1 199 . 1 1 47 47 THR N N 15 110.478 0.300 . 1 . . . . 47 THR N . 17647 1 200 . 1 1 48 48 ASN H H 1 8.713 0.020 . 1 . . . . 48 ASN H . 17647 1 201 . 1 1 48 48 ASN C C 13 177.264 0.300 . 1 . . . . 48 ASN C . 17647 1 202 . 1 1 48 48 ASN CA C 13 55.146 0.300 . 1 . . . . 48 ASN CA . 17647 1 203 . 1 1 48 48 ASN CB C 13 35.276 0.300 . 1 . . . . 48 ASN CB . 17647 1 204 . 1 1 48 48 ASN N N 15 124.339 0.300 . 1 . . . . 48 ASN N . 17647 1 205 . 1 1 49 49 TYR H H 1 7.554 0.020 . 1 . . . . 49 TYR H . 17647 1 206 . 1 1 49 49 TYR C C 13 176.178 0.300 . 1 . . . . 49 TYR C . 17647 1 207 . 1 1 49 49 TYR CA C 13 59.634 0.300 . 1 . . . . 49 TYR CA . 17647 1 208 . 1 1 49 49 TYR CB C 13 36.952 0.300 . 1 . . . . 49 TYR CB . 17647 1 209 . 1 1 49 49 TYR N N 15 116.035 0.300 . 1 . . . . 49 TYR N . 17647 1 210 . 1 1 50 50 ASN H H 1 6.742 0.020 . 1 . . . . 50 ASN H . 17647 1 211 . 1 1 50 50 ASN C C 13 177.200 0.300 . 1 . . . . 50 ASN C . 17647 1 212 . 1 1 50 50 ASN CA C 13 53.122 0.300 . 1 . . . . 50 ASN CA . 17647 1 213 . 1 1 50 50 ASN CB C 13 37.797 0.300 . 1 . . . . 50 ASN CB . 17647 1 214 . 1 1 50 50 ASN N N 15 112.109 0.300 . 1 . . . . 50 ASN N . 17647 1 215 . 1 1 51 51 ASN H H 1 8.060 0.020 . 1 . . . . 51 ASN H . 17647 1 216 . 1 1 51 51 ASN C C 13 177.493 0.300 . 1 . . . . 51 ASN C . 17647 1 217 . 1 1 51 51 ASN CA C 13 54.188 0.300 . 1 . . . . 51 ASN CA . 17647 1 218 . 1 1 51 51 ASN CB C 13 34.019 0.300 . 1 . . . . 51 ASN CB . 17647 1 219 . 1 1 51 51 ASN N N 15 120.930 0.300 . 1 . . . . 51 ASN N . 17647 1 220 . 1 1 52 52 GLY H H 1 8.941 0.020 . 1 . . . . 52 GLY H . 17647 1 221 . 1 1 52 52 GLY C C 13 173.138 0.300 . 1 . . . . 52 GLY C . 17647 1 222 . 1 1 52 52 GLY CA C 13 48.143 0.300 . 1 . . . . 52 GLY CA . 17647 1 223 . 1 1 52 52 GLY N N 15 109.758 0.300 . 1 . . . . 52 GLY N . 17647 1 224 . 1 1 54 54 VAL H H 1 6.468 0.020 . 1 . . . . 54 VAL H . 17647 1 225 . 1 1 54 54 VAL C C 13 178.741 0.300 . 1 . . . . 54 VAL C . 17647 1 226 . 1 1 54 54 VAL CA C 13 65.679 0.300 . 1 . . . . 54 VAL CA . 17647 1 227 . 1 1 54 54 VAL CB C 13 30.727 0.300 . 1 . . . . 54 VAL CB . 17647 1 228 . 1 1 54 54 VAL N N 15 117.208 0.300 . 1 . . . . 54 VAL N . 17647 1 229 . 1 1 55 55 LEU H H 1 8.347 0.020 . 1 . . . . 55 LEU H . 17647 1 230 . 1 1 55 55 LEU C C 13 176.553 0.300 . 1 . . . . 55 LEU C . 17647 1 231 . 1 1 55 55 LEU CA C 13 57.121 0.300 . 1 . . . . 55 LEU CA . 17647 1 232 . 1 1 55 55 LEU CB C 13 40.483 0.300 . 1 . . . . 55 LEU CB . 17647 1 233 . 1 1 55 55 LEU N N 15 122.587 0.300 . 1 . . . . 55 LEU N . 17647 1 234 . 1 1 56 56 SER H H 1 8.250 0.020 . 1 . . . . 56 SER H . 17647 1 235 . 1 1 56 56 SER C C 13 179.534 0.300 . 1 . . . . 56 SER C . 17647 1 236 . 1 1 56 56 SER CA C 13 59.993 0.300 . 1 . . . . 56 SER CA . 17647 1 237 . 1 1 56 56 SER CB C 13 68.093 0.300 . 1 . . . . 56 SER CB . 17647 1 238 . 1 1 56 56 SER N N 15 111.804 0.300 . 1 . . . . 56 SER N . 17647 1 239 . 1 1 57 57 ARG H H 1 7.975 0.020 . 1 . . . . 57 ARG H . 17647 1 240 . 1 1 57 57 ARG C C 13 178.204 0.300 . 1 . . . . 57 ARG C . 17647 1 241 . 1 1 57 57 ARG CA C 13 58.437 0.300 . 1 . . . . 57 ARG CA . 17647 1 242 . 1 1 57 57 ARG CB C 13 29.183 0.300 . 1 . . . . 57 ARG CB . 17647 1 243 . 1 1 57 57 ARG N N 15 119.562 0.300 . 1 . . . . 57 ARG N . 17647 1 244 . 1 1 58 58 PHE H H 1 8.262 0.020 . 1 . . . . 58 PHE H . 17647 1 245 . 1 1 58 58 PHE C C 13 176.964 0.300 . 1 . . . . 58 PHE C . 17647 1 246 . 1 1 58 58 PHE CA C 13 61.171 0.300 . 1 . . . . 58 PHE CA . 17647 1 247 . 1 1 58 58 PHE CB C 13 39.194 0.300 . 1 . . . . 58 PHE CB . 17647 1 248 . 1 1 58 58 PHE N N 15 123.224 0.300 . 1 . . . . 58 PHE N . 17647 1 249 . 1 1 59 59 VAL H H 1 8.774 0.020 . 1 . . . . 59 VAL H . 17647 1 250 . 1 1 59 59 VAL C C 13 177.148 0.300 . 1 . . . . 59 VAL C . 17647 1 251 . 1 1 59 59 VAL CA C 13 66.643 0.300 . 1 . . . . 59 VAL CA . 17647 1 252 . 1 1 59 59 VAL CB C 13 30.468 0.300 . 1 . . . . 59 VAL CB . 17647 1 253 . 1 1 59 59 VAL N N 15 119.239 0.300 . 1 . . . . 59 VAL N . 17647 1 254 . 1 1 60 60 GLN H H 1 7.663 0.020 . 1 . . . . 60 GLN H . 17647 1 255 . 1 1 60 60 GLN C C 13 177.057 0.300 . 1 . . . . 60 GLN C . 17647 1 256 . 1 1 60 60 GLN CA C 13 57.958 0.300 . 1 . . . . 60 GLN CA . 17647 1 257 . 1 1 60 60 GLN CB C 13 27.436 0.300 . 1 . . . . 60 GLN CB . 17647 1 258 . 1 1 60 60 GLN N N 15 118.126 0.300 . 1 . . . . 60 GLN N . 17647 1 259 . 1 1 61 61 LYS H H 1 7.511 0.020 . 1 . . . . 61 LYS H . 17647 1 260 . 1 1 61 61 LYS C C 13 178.254 0.300 . 1 . . . . 61 LYS C . 17647 1 261 . 1 1 61 61 LYS CA C 13 58.497 0.300 . 1 . . . . 61 LYS CA . 17647 1 262 . 1 1 61 61 LYS CB C 13 30.229 0.300 . 1 . . . . 61 LYS CB . 17647 1 263 . 1 1 61 61 LYS N N 15 120.318 0.300 . 1 . . . . 61 LYS N . 17647 1 264 . 1 1 62 62 VAL H H 1 7.566 0.020 . 1 . . . . 62 VAL H . 17647 1 265 . 1 1 62 62 VAL C C 13 179.894 0.300 . 1 . . . . 62 VAL C . 17647 1 266 . 1 1 62 62 VAL CA C 13 65.858 0.300 . 1 . . . . 62 VAL CA . 17647 1 267 . 1 1 62 62 VAL CB C 13 29.511 0.300 . 1 . . . . 62 VAL CB . 17647 1 268 . 1 1 62 62 VAL N N 15 121.125 0.300 . 1 . . . . 62 VAL N . 17647 1 269 . 1 1 63 63 LEU H H 1 8.616 0.020 . 1 . . . . 63 LEU H . 17647 1 270 . 1 1 63 63 LEU C C 13 179.658 0.300 . 1 . . . . 63 LEU C . 17647 1 271 . 1 1 63 63 LEU CA C 13 58.025 0.300 . 1 . . . . 63 LEU CA . 17647 1 272 . 1 1 63 63 LEU CB C 13 38.896 0.300 . 1 . . . . 63 LEU CB . 17647 1 273 . 1 1 63 63 LEU N N 15 123.887 0.300 . 1 . . . . 63 LEU N . 17647 1 274 . 1 1 64 64 ASP H H 1 8.530 0.020 . 1 . . . . 64 ASP H . 17647 1 275 . 1 1 64 64 ASP C C 13 178.760 0.300 . 1 . . . . 64 ASP C . 17647 1 276 . 1 1 64 64 ASP CA C 13 56.702 0.300 . 1 . . . . 64 ASP CA . 17647 1 277 . 1 1 64 64 ASP CB C 13 39.278 0.300 . 1 . . . . 64 ASP CB . 17647 1 278 . 1 1 64 64 ASP N N 15 121.414 0.300 . 1 . . . . 64 ASP N . 17647 1 279 . 1 1 65 65 GLU H H 1 8.278 0.020 . 1 . . . . 65 GLU H . 17647 1 280 . 1 1 65 65 GLU C C 13 178.439 0.300 . 1 . . . . 65 GLU C . 17647 1 281 . 1 1 65 65 GLU CA C 13 58.185 0.300 . 1 . . . . 65 GLU CA . 17647 1 282 . 1 1 65 65 GLU CB C 13 29.099 0.300 . 1 . . . . 65 GLU CB . 17647 1 283 . 1 1 65 65 GLU N N 15 118.570 0.300 . 1 . . . . 65 GLU N . 17647 1 284 . 1 1 66 66 THR H H 1 7.928 0.020 . 1 . . . . 66 THR H . 17647 1 285 . 1 1 66 66 THR C C 13 177.012 0.300 . 1 . . . . 66 THR C . 17647 1 286 . 1 1 66 66 THR CA C 13 62.387 0.300 . 1 . . . . 66 THR CA . 17647 1 287 . 1 1 66 66 THR CB C 13 71.143 0.300 . 1 . . . . 66 THR CB . 17647 1 288 . 1 1 66 66 THR N N 15 107.037 0.300 . 1 . . . . 66 THR N . 17647 1 289 . 1 1 67 67 GLY H H 1 8.152 0.020 . 1 . . . . 67 GLY H . 17647 1 290 . 1 1 67 67 GLY C C 13 173.724 0.300 . 1 . . . . 67 GLY C . 17647 1 291 . 1 1 67 67 GLY CA C 13 45.091 0.300 . 1 . . . . 67 GLY CA . 17647 1 292 . 1 1 67 67 GLY N N 15 113.027 0.300 . 1 . . . . 67 GLY N . 17647 1 293 . 1 1 68 68 ALA H H 1 7.615 0.020 . 1 . . . . 68 ALA H . 17647 1 294 . 1 1 68 68 ALA C C 13 175.560 0.300 . 1 . . . . 68 ALA C . 17647 1 295 . 1 1 68 68 ALA CA C 13 51.121 0.300 . 1 . . . . 68 ALA CA . 17647 1 296 . 1 1 68 68 ALA CB C 13 18.974 0.300 . 1 . . . . 68 ALA CB . 17647 1 297 . 1 1 68 68 ALA N N 15 123.438 0.300 . 1 . . . . 68 ALA N . 17647 1 298 . 1 1 69 69 LYS H H 1 8.091 0.020 . 1 . . . . 69 LYS H . 17647 1 299 . 1 1 69 69 LYS C C 13 176.544 0.300 . 1 . . . . 69 LYS C . 17647 1 300 . 1 1 69 69 LYS CA C 13 56.223 0.300 . 1 . . . . 69 LYS CA . 17647 1 301 . 1 1 69 69 LYS CB C 13 32.343 0.300 . 1 . . . . 69 LYS CB . 17647 1 302 . 1 1 69 69 LYS N N 15 117.208 0.300 . 1 . . . . 69 LYS N . 17647 1 303 . 1 1 70 70 LYS H H 1 7.422 0.020 . 1 . . . . 70 LYS H . 17647 1 304 . 1 1 70 70 LYS C C 13 174.463 0.300 . 1 . . . . 70 LYS C . 17647 1 305 . 1 1 70 70 LYS CA C 13 53.412 0.300 . 1 . . . . 70 LYS CA . 17647 1 306 . 1 1 70 70 LYS CB C 13 38.201 0.300 . 1 . . . . 70 LYS CB . 17647 1 307 . 1 1 70 70 LYS N N 15 115.194 0.300 . 1 . . . . 70 LYS N . 17647 1 308 . 1 1 71 71 VAL H H 1 8.262 0.020 . 1 . . . . 71 VAL H . 17647 1 309 . 1 1 71 71 VAL C C 13 174.508 0.300 . 1 . . . . 71 VAL C . 17647 1 310 . 1 1 71 71 VAL CA C 13 57.958 0.300 . 1 . . . . 71 VAL CA . 17647 1 311 . 1 1 71 71 VAL CB C 13 33.085 0.300 . 1 . . . . 71 VAL CB . 17647 1 312 . 1 1 71 71 VAL N N 15 108.031 0.300 . 1 . . . . 71 VAL N . 17647 1 313 . 1 1 72 72 ASP H H 1 8.799 0.020 . 1 . . . . 72 ASP H . 17647 1 314 . 1 1 72 72 ASP C C 13 175.738 0.300 . 1 . . . . 72 ASP C . 17647 1 315 . 1 1 72 72 ASP CA C 13 52.557 0.300 . 1 . . . . 72 ASP CA . 17647 1 316 . 1 1 72 72 ASP CB C 13 43.333 0.300 . 1 . . . . 72 ASP CB . 17647 1 317 . 1 1 72 72 ASP N N 15 120.666 0.300 . 1 . . . . 72 ASP N . 17647 1 318 . 1 1 73 73 ILE H H 1 8.769 0.020 . 1 . . . . 73 ILE H . 17647 1 319 . 1 1 73 73 ILE C C 13 177.140 0.300 . 1 . . . . 73 ILE C . 17647 1 320 . 1 1 73 73 ILE CA C 13 58.677 0.300 . 1 . . . . 73 ILE CA . 17647 1 321 . 1 1 73 73 ILE CB C 13 41.380 0.300 . 1 . . . . 73 ILE CB . 17647 1 322 . 1 1 73 73 ILE N N 15 119.508 0.300 . 1 . . . . 73 ILE N . 17647 1 323 . 1 1 74 74 VAL H H 1 8.128 0.020 . 1 . . . . 74 VAL H . 17647 1 324 . 1 1 74 74 VAL C C 13 173.764 0.300 . 1 . . . . 74 VAL C . 17647 1 325 . 1 1 74 74 VAL CA C 13 59.834 0.300 . 1 . . . . 74 VAL CA . 17647 1 326 . 1 1 74 74 VAL CB C 13 32.806 0.300 . 1 . . . . 74 VAL CB . 17647 1 327 . 1 1 74 74 VAL N N 15 126.334 0.300 . 1 . . . . 74 VAL N . 17647 1 328 . 1 1 75 75 ALA H H 1 9.153 0.020 . 1 . . . . 75 ALA H . 17647 1 329 . 1 1 75 75 ALA C C 13 174.685 0.300 . 1 . . . . 75 ALA C . 17647 1 330 . 1 1 75 75 ALA CA C 13 49.045 0.300 . 1 . . . . 75 ALA CA . 17647 1 331 . 1 1 75 75 ALA CB C 13 21.641 0.300 . 1 . . . . 75 ALA CB . 17647 1 332 . 1 1 75 75 ALA N N 15 128.424 0.300 . 1 . . . . 75 ALA N . 17647 1 333 . 1 1 76 76 HIS H H 1 8.833 0.020 . 1 . . . . 76 HIS H . 17647 1 334 . 1 1 76 76 HIS C C 13 174.675 0.300 . 1 . . . . 76 HIS C . 17647 1 335 . 1 1 76 76 HIS CA C 13 55.734 0.300 . 1 . . . . 76 HIS CA . 17647 1 336 . 1 1 76 76 HIS CB C 13 33.876 0.300 . 1 . . . . 76 HIS CB . 17647 1 337 . 1 1 76 76 HIS N N 15 122.875 0.300 . 1 . . . . 76 HIS N . 17647 1 338 . 1 1 79 79 GLY H H 1 8.970 0.020 . 1 . . . . 79 GLY H . 17647 1 339 . 1 1 79 79 GLY C C 13 178.831 0.300 . 1 . . . . 79 GLY C . 17647 1 340 . 1 1 79 79 GLY CA C 13 47.425 0.300 . 1 . . . . 79 GLY CA . 17647 1 341 . 1 1 79 79 GLY N N 15 108.617 0.300 . 1 . . . . 79 GLY N . 17647 1 342 . 1 1 80 80 GLY H H 1 8.384 0.020 . 1 . . . . 80 GLY H . 17647 1 343 . 1 1 80 80 GLY C C 13 173.838 0.300 . 1 . . . . 80 GLY C . 17647 1 344 . 1 1 80 80 GLY CA C 13 46.886 0.300 . 1 . . . . 80 GLY CA . 17647 1 345 . 1 1 80 80 GLY N N 15 111.768 0.300 . 1 . . . . 80 GLY N . 17647 1 346 . 1 1 81 81 ALA H H 1 6.322 0.020 . 1 . . . . 81 ALA H . 17647 1 347 . 1 1 81 81 ALA C C 13 169.974 0.300 . 1 . . . . 81 ALA C . 17647 1 348 . 1 1 81 81 ALA CA C 13 55.909 0.300 . 1 . . . . 81 ALA CA . 17647 1 349 . 1 1 81 81 ALA CB C 13 16.483 0.300 . 1 . . . . 81 ALA CB . 17647 1 350 . 1 1 81 81 ALA N N 15 124.549 0.300 . 1 . . . . 81 ALA N . 17647 1 351 . 1 1 82 82 ASN H H 1 8.306 0.020 . 1 . . . . 82 ASN H . 17647 1 352 . 1 1 82 82 ASN C C 13 176.562 0.300 . 1 . . . . 82 ASN C . 17647 1 353 . 1 1 82 82 ASN CA C 13 55.428 0.300 . 1 . . . . 82 ASN CA . 17647 1 354 . 1 1 82 82 ASN CB C 13 39.202 0.300 . 1 . . . . 82 ASN CB . 17647 1 355 . 1 1 82 82 ASN N N 15 117.867 0.300 . 1 . . . . 82 ASN N . 17647 1 356 . 1 1 83 83 THR H H 1 8.054 0.020 . 1 . . . . 83 THR H . 17647 1 357 . 1 1 83 83 THR C C 13 176.651 0.300 . 1 . . . . 83 THR C . 17647 1 358 . 1 1 83 83 THR CA C 13 55.489 0.300 . 1 . . . . 83 THR CA . 17647 1 359 . 1 1 83 83 THR N N 15 117.960 0.300 . 1 . . . . 83 THR N . 17647 1 360 . 1 1 88 88 LYS H H 1 8.164 0.020 . 1 . . . . 88 LYS H . 17647 1 361 . 1 1 88 88 LYS C C 13 176.665 0.300 . 1 . . . . 88 LYS C . 17647 1 362 . 1 1 88 88 LYS CA C 13 58.437 0.300 . 1 . . . . 88 LYS CA . 17647 1 363 . 1 1 88 88 LYS CB C 13 33.162 0.300 . 1 . . . . 88 LYS CB . 17647 1 364 . 1 1 88 88 LYS N N 15 117.967 0.300 . 1 . . . . 88 LYS N . 17647 1 365 . 1 1 89 89 TYR H H 1 8.225 0.020 . 1 . . . . 89 TYR H . 17647 1 366 . 1 1 89 89 TYR C C 13 175.961 0.300 . 1 . . . . 89 TYR C . 17647 1 367 . 1 1 89 89 TYR CA C 13 58.183 0.300 . 1 . . . . 89 TYR CA . 17647 1 368 . 1 1 89 89 TYR CB C 13 37.730 0.300 . 1 . . . . 89 TYR CB . 17647 1 369 . 1 1 89 89 TYR N N 15 114.149 0.300 . 1 . . . . 89 TYR N . 17647 1 370 . 1 1 90 90 LEU H H 1 6.468 0.020 . 1 . . . . 90 LEU H . 17647 1 371 . 1 1 90 90 LEU C C 13 175.661 0.300 . 1 . . . . 90 LEU C . 17647 1 372 . 1 1 90 90 LEU CA C 13 52.099 0.300 . 1 . . . . 90 LEU CA . 17647 1 373 . 1 1 90 90 LEU CB C 13 37.881 0.300 . 1 . . . . 90 LEU CB . 17647 1 374 . 1 1 90 90 LEU N N 15 119.349 0.300 . 1 . . . . 90 LEU N . 17647 1 375 . 1 1 91 91 ASP H H 1 9.177 0.020 . 1 . . . . 91 ASP H . 17647 1 376 . 1 1 91 91 ASP C C 13 175.606 0.300 . 1 . . . . 91 ASP C . 17647 1 377 . 1 1 91 91 ASP CA C 13 52.871 0.300 . 1 . . . . 91 ASP CA . 17647 1 378 . 1 1 91 91 ASP CB C 13 39.046 0.300 . 1 . . . . 91 ASP CB . 17647 1 379 . 1 1 91 91 ASP N N 15 118.533 0.300 . 1 . . . . 91 ASP N . 17647 1 380 . 1 1 92 92 GLY H H 1 6.932 0.020 . 1 . . . . 92 GLY H . 17647 1 381 . 1 1 92 92 GLY C C 13 174.274 0.300 . 1 . . . . 92 GLY C . 17647 1 382 . 1 1 92 92 GLY CA C 13 45.211 0.300 . 1 . . . . 92 GLY CA . 17647 1 383 . 1 1 92 92 GLY N N 15 107.725 0.300 . 1 . . . . 92 GLY N . 17647 1 384 . 1 1 93 93 GLY H H 1 8.364 0.020 . 1 . . . . 93 GLY H . 17647 1 385 . 1 1 93 93 GLY C C 13 174.309 0.300 . 1 . . . . 93 GLY C . 17647 1 386 . 1 1 93 93 GLY CA C 13 47.074 0.300 . 1 . . . . 93 GLY CA . 17647 1 387 . 1 1 93 93 GLY N N 15 107.749 0.300 . 1 . . . . 93 GLY N . 17647 1 388 . 1 1 94 94 ASN H H 1 7.261 0.020 . 1 . . . . 94 ASN H . 17647 1 389 . 1 1 94 94 ASN C C 13 174.333 0.300 . 1 . . . . 94 ASN C . 17647 1 390 . 1 1 94 94 ASN CA C 13 50.956 0.300 . 1 . . . . 94 ASN CA . 17647 1 391 . 1 1 94 94 ASN CB C 13 36.593 0.300 . 1 . . . . 94 ASN CB . 17647 1 392 . 1 1 94 94 ASN N N 15 115.126 0.300 . 1 . . . . 94 ASN N . 17647 1 393 . 1 1 95 95 LYS H H 1 7.392 0.020 . 1 . . . . 95 LYS H . 17647 1 394 . 1 1 95 95 LYS C C 13 173.357 0.300 . 1 . . . . 95 LYS C . 17647 1 395 . 1 1 95 95 LYS CA C 13 56.103 0.300 . 1 . . . . 95 LYS CA . 17647 1 396 . 1 1 95 95 LYS CB C 13 34.414 0.300 . 1 . . . . 95 LYS CB . 17647 1 397 . 1 1 95 95 LYS N N 15 118.652 0.300 . 1 . . . . 95 LYS N . 17647 1 398 . 1 1 96 96 VAL H H 1 6.749 0.020 . 1 . . . . 96 VAL H . 17647 1 399 . 1 1 96 96 VAL C C 13 173.850 0.300 . 1 . . . . 96 VAL C . 17647 1 400 . 1 1 96 96 VAL CA C 13 59.215 0.300 . 1 . . . . 96 VAL CA . 17647 1 401 . 1 1 96 96 VAL CB C 13 34.311 0.300 . 1 . . . . 96 VAL CB . 17647 1 402 . 1 1 96 96 VAL N N 15 117.131 0.300 . 1 . . . . 96 VAL N . 17647 1 403 . 1 1 97 97 ALA H H 1 8.787 0.020 . 1 . . . . 97 ALA H . 17647 1 404 . 1 1 97 97 ALA C C 13 175.457 0.300 . 1 . . . . 97 ALA C . 17647 1 405 . 1 1 97 97 ALA CA C 13 52.273 0.300 . 1 . . . . 97 ALA CA . 17647 1 406 . 1 1 97 97 ALA CB C 13 19.596 0.300 . 1 . . . . 97 ALA CB . 17647 1 407 . 1 1 97 97 ALA N N 15 129.367 0.300 . 1 . . . . 97 ALA N . 17647 1 408 . 1 1 98 98 ASN H H 1 8.055 0.020 . 1 . . . . 98 ASN H . 17647 1 409 . 1 1 98 98 ASN C C 13 173.200 0.300 . 1 . . . . 98 ASN C . 17647 1 410 . 1 1 98 98 ASN CA C 13 51.457 0.300 . 1 . . . . 98 ASN CA . 17647 1 411 . 1 1 98 98 ASN CB C 13 40.778 0.300 . 1 . . . . 98 ASN CB . 17647 1 412 . 1 1 98 98 ASN N N 15 116.543 0.300 . 1 . . . . 98 ASN N . 17647 1 413 . 1 1 99 99 VAL H H 1 8.799 0.020 . 1 . . . . 99 VAL H . 17647 1 414 . 1 1 99 99 VAL C C 13 175.738 0.300 . 1 . . . . 99 VAL C . 17647 1 415 . 1 1 99 99 VAL CA C 13 60.010 0.300 . 1 . . . . 99 VAL CA . 17647 1 416 . 1 1 99 99 VAL CB C 13 33.192 0.300 . 1 . . . . 99 VAL CB . 17647 1 417 . 1 1 99 99 VAL N N 15 120.674 0.300 . 1 . . . . 99 VAL N . 17647 1 418 . 1 1 100 100 VAL H H 1 9.433 0.020 . 1 . . . . 100 VAL H . 17647 1 419 . 1 1 100 100 VAL C C 13 175.512 0.300 . 1 . . . . 100 VAL C . 17647 1 420 . 1 1 100 100 VAL CA C 13 59.834 0.300 . 1 . . . . 100 VAL CA . 17647 1 421 . 1 1 100 100 VAL CB C 13 33.368 0.300 . 1 . . . . 100 VAL CB . 17647 1 422 . 1 1 100 100 VAL N N 15 130.944 0.300 . 1 . . . . 100 VAL N . 17647 1 423 . 1 1 101 101 THR H H 1 9.397 0.020 . 1 . . . . 101 THR H . 17647 1 424 . 1 1 101 101 THR C C 13 172.960 0.300 . 1 . . . . 101 THR C . 17647 1 425 . 1 1 101 101 THR CA C 13 59.094 0.300 . 1 . . . . 101 THR CA . 17647 1 426 . 1 1 101 101 THR CB C 13 70.470 0.300 . 1 . . . . 101 THR CB . 17647 1 427 . 1 1 101 101 THR N N 15 116.316 0.300 . 1 . . . . 101 THR N . 17647 1 428 . 1 1 102 102 LEU H H 1 9.166 0.020 . 1 . . . . 102 LEU H . 17647 1 429 . 1 1 102 102 LEU C C 13 175.263 0.300 . 1 . . . . 102 LEU C . 17647 1 430 . 1 1 102 102 LEU CA C 13 51.635 0.300 . 1 . . . . 102 LEU CA . 17647 1 431 . 1 1 102 102 LEU CB C 13 42.427 0.300 . 1 . . . . 102 LEU CB . 17647 1 432 . 1 1 102 102 LEU N N 15 122.916 0.300 . 1 . . . . 102 LEU N . 17647 1 433 . 1 1 103 103 GLY H H 1 9.494 0.020 . 1 . . . . 103 GLY H . 17647 1 434 . 1 1 103 103 GLY C C 13 174.675 0.300 . 1 . . . . 103 GLY C . 17647 1 435 . 1 1 103 103 GLY CA C 13 47.914 0.300 . 1 . . . . 103 GLY CA . 17647 1 436 . 1 1 103 103 GLY N N 15 116.035 0.300 . 1 . . . . 103 GLY N . 17647 1 437 . 1 1 104 104 GLY H H 1 8.323 0.020 . 1 . . . . 104 GLY H . 17647 1 438 . 1 1 104 104 GLY C C 13 176.228 0.300 . 1 . . . . 104 GLY C . 17647 1 439 . 1 1 104 104 GLY CA C 13 44.249 0.300 . 1 . . . . 104 GLY CA . 17647 1 440 . 1 1 104 104 GLY N N 15 125.289 0.300 . 1 . . . . 104 GLY N . 17647 1 441 . 1 1 105 105 ALA H H 1 7.195 0.020 . 1 . . . . 105 ALA H . 17647 1 442 . 1 1 105 105 ALA C C 13 176.986 0.300 . 1 . . . . 105 ALA C . 17647 1 443 . 1 1 105 105 ALA CA C 13 49.151 0.300 . 1 . . . . 105 ALA CA . 17647 1 444 . 1 1 105 105 ALA CB C 13 14.411 0.300 . 1 . . . . 105 ALA CB . 17647 1 445 . 1 1 105 105 ALA N N 15 107.088 0.300 . 1 . . . . 105 ALA N . 17647 1 446 . 1 1 106 106 ASN H H 1 6.712 0.020 . 1 . . . . 106 ASN H . 17647 1 447 . 1 1 106 106 ASN C C 13 177.914 0.300 . 1 . . . . 106 ASN C . 17647 1 448 . 1 1 106 106 ASN CA C 13 56.582 0.300 . 1 . . . . 106 ASN CA . 17647 1 449 . 1 1 106 106 ASN CB C 13 37.774 0.300 . 1 . . . . 106 ASN CB . 17647 1 450 . 1 1 106 106 ASN N N 15 118.369 0.300 . 1 . . . . 106 ASN N . 17647 1 451 . 1 1 107 107 ARG H H 1 8.898 0.020 . 1 . . . . 107 ARG H . 17647 1 452 . 1 1 107 107 ARG C C 13 176.888 0.300 . 1 . . . . 107 ARG C . 17647 1 453 . 1 1 107 107 ARG CA C 13 56.879 0.300 . 1 . . . . 107 ARG CA . 17647 1 454 . 1 1 107 107 ARG CB C 13 28.985 0.300 . 1 . . . . 107 ARG CB . 17647 1 455 . 1 1 107 107 ARG N N 15 116.698 0.300 . 1 . . . . 107 ARG N . 17647 1 456 . 1 1 108 108 LEU H H 1 7.200 0.020 . 1 . . . . 108 LEU H . 17647 1 457 . 1 1 108 108 LEU C C 13 177.974 0.300 . 1 . . . . 108 LEU C . 17647 1 458 . 1 1 108 108 LEU CA C 13 56.421 0.300 . 1 . . . . 108 LEU CA . 17647 1 459 . 1 1 108 108 LEU CB C 13 38.873 0.300 . 1 . . . . 108 LEU CB . 17647 1 460 . 1 1 108 108 LEU N N 15 117.335 0.300 . 1 . . . . 108 LEU N . 17647 1 461 . 1 1 109 109 THR H H 1 7.969 0.020 . 1 . . . . 109 THR H . 17647 1 462 . 1 1 109 109 THR C C 13 172.624 0.300 . 1 . . . . 109 THR C . 17647 1 463 . 1 1 109 109 THR CA C 13 63.464 0.300 . 1 . . . . 109 THR CA . 17647 1 464 . 1 1 109 109 THR CB C 13 68.372 0.300 . 1 . . . . 109 THR CB . 17647 1 465 . 1 1 109 109 THR N N 15 113.894 0.300 . 1 . . . . 109 THR N . 17647 1 466 . 1 1 110 110 THR H H 1 7.562 0.020 . 1 . . . . 110 THR H . 17647 1 467 . 1 1 110 110 THR C C 13 180.870 0.300 . 1 . . . . 110 THR C . 17647 1 468 . 1 1 110 110 THR CA C 13 59.694 0.300 . 1 . . . . 110 THR CA . 17647 1 469 . 1 1 110 110 THR CB C 13 66.791 0.300 . 1 . . . . 110 THR CB . 17647 1 470 . 1 1 110 110 THR N N 15 114.557 0.300 . 1 . . . . 110 THR N . 17647 1 471 . 1 1 111 111 ASP H H 1 8.281 0.020 . 1 . . . . 111 ASP H . 17647 1 472 . 1 1 111 111 ASP C C 13 174.965 0.300 . 1 . . . . 111 ASP C . 17647 1 473 . 1 1 111 111 ASP CA C 13 54.145 0.300 . 1 . . . . 111 ASP CA . 17647 1 474 . 1 1 111 111 ASP CB C 13 40.124 0.300 . 1 . . . . 111 ASP CB . 17647 1 475 . 1 1 111 111 ASP N N 15 121.211 0.300 . 1 . . . . 111 ASP N . 17647 1 476 . 1 1 112 112 LYS H H 1 7.327 0.020 . 1 . . . . 112 LYS H . 17647 1 477 . 1 1 112 112 LYS C C 13 175.774 0.300 . 1 . . . . 112 LYS C . 17647 1 478 . 1 1 112 112 LYS CA C 13 53.374 0.300 . 1 . . . . 112 LYS CA . 17647 1 479 . 1 1 112 112 LYS CB C 13 33.979 0.300 . 1 . . . . 112 LYS CB . 17647 1 480 . 1 1 112 112 LYS N N 15 118.661 0.300 . 1 . . . . 112 LYS N . 17647 1 481 . 1 1 113 113 ALA H H 1 7.652 0.020 . 1 . . . . 113 ALA H . 17647 1 482 . 1 1 113 113 ALA C C 13 174.171 0.300 . 1 . . . . 113 ALA C . 17647 1 483 . 1 1 113 113 ALA CA C 13 48.961 0.300 . 1 . . . . 113 ALA CA . 17647 1 484 . 1 1 113 113 ALA CB C 13 16.042 0.300 . 1 . . . . 113 ALA CB . 17647 1 485 . 1 1 113 113 ALA N N 15 125.975 0.300 . 1 . . . . 113 ALA N . 17647 1 486 . 1 1 116 116 GLY H H 1 8.469 0.020 . 1 . . . . 116 GLY H . 17647 1 487 . 1 1 116 116 GLY C C 13 174.572 0.300 . 1 . . . . 116 GLY C . 17647 1 488 . 1 1 116 116 GLY CA C 13 43.475 0.300 . 1 . . . . 116 GLY CA . 17647 1 489 . 1 1 116 116 GLY N N 15 107.598 0.300 . 1 . . . . 116 GLY N . 17647 1 490 . 1 1 117 117 THR H H 1 7.688 0.020 . 1 . . . . 117 THR H . 17647 1 491 . 1 1 117 117 THR C C 13 174.959 0.300 . 1 . . . . 117 THR C . 17647 1 492 . 1 1 117 117 THR CA C 13 60.269 0.300 . 1 . . . . 117 THR CA . 17647 1 493 . 1 1 117 117 THR CB C 13 67.893 0.300 . 1 . . . . 117 THR CB . 17647 1 494 . 1 1 117 117 THR N N 15 108.209 0.300 . 1 . . . . 117 THR N . 17647 1 495 . 1 1 118 118 ASP H H 1 8.933 0.020 . 1 . . . . 118 ASP H . 17647 1 496 . 1 1 118 118 ASP C C 13 175.476 0.300 . 1 . . . . 118 ASP C . 17647 1 497 . 1 1 118 118 ASP CA C 13 50.298 0.300 . 1 . . . . 118 ASP CA . 17647 1 498 . 1 1 118 118 ASP CB C 13 40.303 0.300 . 1 . . . . 118 ASP CB . 17647 1 499 . 1 1 118 118 ASP N N 15 126.578 0.300 . 1 . . . . 118 ASP N . 17647 1 500 . 1 1 120 120 ASN H H 1 8.201 0.020 . 1 . . . . 120 ASN H . 17647 1 501 . 1 1 120 120 ASN C C 13 174.711 0.300 . 1 . . . . 120 ASN C . 17647 1 502 . 1 1 120 120 ASN CA C 13 53.051 0.300 . 1 . . . . 120 ASN CA . 17647 1 503 . 1 1 120 120 ASN CB C 13 39.034 0.300 . 1 . . . . 120 ASN CB . 17647 1 504 . 1 1 120 120 ASN N N 15 114.684 0.300 . 1 . . . . 120 ASN N . 17647 1 505 . 1 1 121 121 GLN H H 1 7.249 0.020 . 1 . . . . 121 GLN H . 17647 1 506 . 1 1 121 121 GLN C C 13 172.978 0.300 . 1 . . . . 121 GLN C . 17647 1 507 . 1 1 121 121 GLN CA C 13 55.130 0.300 . 1 . . . . 121 GLN CA . 17647 1 508 . 1 1 121 121 GLN CB C 13 29.260 0.300 . 1 . . . . 121 GLN CB . 17647 1 509 . 1 1 121 121 GLN N N 15 120.343 0.300 . 1 . . . . 121 GLN N . 17647 1 510 . 1 1 122 122 LYS H H 1 8.445 0.020 . 1 . . . . 122 LYS H . 17647 1 511 . 1 1 122 122 LYS C C 13 176.501 0.300 . 1 . . . . 122 LYS C . 17647 1 512 . 1 1 122 122 LYS CA C 13 56.043 0.300 . 1 . . . . 122 LYS CA . 17647 1 513 . 1 1 122 122 LYS CB C 13 32.822 0.300 . 1 . . . . 122 LYS CB . 17647 1 514 . 1 1 122 122 LYS N N 15 128.730 0.300 . 1 . . . . 122 LYS N . 17647 1 515 . 1 1 123 123 ILE H H 1 8.055 0.020 . 1 . . . . 123 ILE H . 17647 1 516 . 1 1 123 123 ILE C C 13 174.600 0.300 . 1 . . . . 123 ILE C . 17647 1 517 . 1 1 123 123 ILE CA C 13 62.515 0.300 . 1 . . . . 123 ILE CA . 17647 1 518 . 1 1 123 123 ILE CB C 13 36.588 0.300 . 1 . . . . 123 ILE CB . 17647 1 519 . 1 1 123 123 ILE N N 15 125.717 0.300 . 1 . . . . 123 ILE N . 17647 1 520 . 1 1 124 124 LEU H H 1 7.310 0.020 . 1 . . . . 124 LEU H . 17647 1 521 . 1 1 124 124 LEU C C 13 176.076 0.300 . 1 . . . . 124 LEU C . 17647 1 522 . 1 1 124 124 LEU CA C 13 53.229 0.300 . 1 . . . . 124 LEU CA . 17647 1 523 . 1 1 124 124 LEU CB C 13 43.176 0.300 . 1 . . . . 124 LEU CB . 17647 1 524 . 1 1 124 124 LEU N N 15 125.646 0.300 . 1 . . . . 124 LEU N . 17647 1 525 . 1 1 125 125 TYR H H 1 8.201 0.020 . 1 . . . . 125 TYR H . 17647 1 526 . 1 1 125 125 TYR C C 13 177.023 0.300 . 1 . . . . 125 TYR C . 17647 1 527 . 1 1 125 125 TYR CA C 13 57.501 0.300 . 1 . . . . 125 TYR CA . 17647 1 528 . 1 1 125 125 TYR CB C 13 42.645 0.300 . 1 . . . . 125 TYR CB . 17647 1 529 . 1 1 125 125 TYR N N 15 116.673 0.300 . 1 . . . . 125 TYR N . 17647 1 530 . 1 1 126 126 THR H H 1 8.726 0.020 . 1 . . . . 126 THR H . 17647 1 531 . 1 1 126 126 THR C C 13 173.033 0.300 . 1 . . . . 126 THR C . 17647 1 532 . 1 1 126 126 THR CA C 13 62.026 0.300 . 1 . . . . 126 THR CA . 17647 1 533 . 1 1 126 126 THR CB C 13 69.948 0.300 . 1 . . . . 126 THR CB . 17647 1 534 . 1 1 126 126 THR N N 15 122.051 0.300 . 1 . . . . 126 THR N . 17647 1 535 . 1 1 127 127 SER H H 1 9.580 0.020 . 1 . . . . 127 SER H . 17647 1 536 . 1 1 127 127 SER C C 13 171.951 0.300 . 1 . . . . 127 SER C . 17647 1 537 . 1 1 127 127 SER CA C 13 54.068 0.300 . 1 . . . . 127 SER CA . 17647 1 538 . 1 1 127 127 SER CB C 13 62.087 0.300 . 1 . . . . 127 SER CB . 17647 1 539 . 1 1 127 127 SER N N 15 122.536 0.300 . 1 . . . . 127 SER N . 17647 1 540 . 1 1 141 141 SER H H 1 7.005 0.020 . 1 . . . . 141 SER H . 17647 1 541 . 1 1 141 141 SER C C 13 175.797 0.300 . 1 . . . . 141 SER C . 17647 1 542 . 1 1 141 141 SER CA C 13 58.258 0.300 . 1 . . . . 141 SER CA . 17647 1 543 . 1 1 141 141 SER N N 15 114.006 0.300 . 1 . . . . 141 SER N . 17647 1 544 . 1 1 142 142 ARG H H 1 6.871 0.020 . 1 . . . . 142 ARG H . 17647 1 545 . 1 1 142 142 ARG C C 13 174.161 0.300 . 1 . . . . 142 ARG C . 17647 1 546 . 1 1 142 142 ARG CA C 13 56.881 0.300 . 1 . . . . 142 ARG CA . 17647 1 547 . 1 1 142 142 ARG CB C 13 28.693 0.300 . 1 . . . . 142 ARG CB . 17647 1 548 . 1 1 142 142 ARG N N 15 126.778 0.300 . 1 . . . . 142 ARG N . 17647 1 549 . 1 1 143 143 LEU H H 1 8.841 0.020 . 1 . . . . 143 LEU H . 17647 1 550 . 1 1 143 143 LEU C C 13 176.147 0.300 . 1 . . . . 143 LEU C . 17647 1 551 . 1 1 143 143 LEU CA C 13 51.848 0.300 . 1 . . . . 143 LEU CA . 17647 1 552 . 1 1 143 143 LEU CB C 13 45.181 0.300 . 1 . . . . 143 LEU CB . 17647 1 553 . 1 1 143 143 LEU N N 15 128.099 0.300 . 1 . . . . 143 LEU N . 17647 1 554 . 1 1 144 144 ASP H H 1 8.713 0.020 . 1 . . . . 144 ASP H . 17647 1 555 . 1 1 144 144 ASP C C 13 177.063 0.300 . 1 . . . . 144 ASP C . 17647 1 556 . 1 1 144 144 ASP CA C 13 56.402 0.300 . 1 . . . . 144 ASP CA . 17647 1 557 . 1 1 144 144 ASP CB C 13 38.278 0.300 . 1 . . . . 144 ASP CB . 17647 1 558 . 1 1 144 144 ASP N N 15 129.648 0.300 . 1 . . . . 144 ASP N . 17647 1 559 . 1 1 145 145 GLY H H 1 8.970 0.020 . 1 . . . . 145 GLY H . 17647 1 560 . 1 1 145 145 GLY C C 13 172.950 0.300 . 1 . . . . 145 GLY C . 17647 1 561 . 1 1 145 145 GLY CA C 13 44.432 0.300 . 1 . . . . 145 GLY CA . 17647 1 562 . 1 1 145 145 GLY N N 15 117.029 0.300 . 1 . . . . 145 GLY N . 17647 1 563 . 1 1 146 146 ALA H H 1 7.181 0.020 . 1 . . . . 146 ALA H . 17647 1 564 . 1 1 146 146 ALA C C 13 175.819 0.300 . 1 . . . . 146 ALA C . 17647 1 565 . 1 1 146 146 ALA CA C 13 49.304 0.300 . 1 . . . . 146 ALA CA . 17647 1 566 . 1 1 146 146 ALA CB C 13 20.990 0.300 . 1 . . . . 146 ALA CB . 17647 1 567 . 1 1 146 146 ALA N N 15 118.508 0.300 . 1 . . . . 146 ALA N . 17647 1 568 . 1 1 147 147 ARG H H 1 7.518 0.020 . 1 . . . . 147 ARG H . 17647 1 569 . 1 1 147 147 ARG C C 13 173.882 0.300 . 1 . . . . 147 ARG C . 17647 1 570 . 1 1 147 147 ARG CA C 13 55.780 0.300 . 1 . . . . 147 ARG CA . 17647 1 571 . 1 1 147 147 ARG CB C 13 28.693 0.300 . 1 . . . . 147 ARG CB . 17647 1 572 . 1 1 147 147 ARG N N 15 119.732 0.300 . 1 . . . . 147 ARG N . 17647 1 573 . 1 1 148 148 ASN H H 1 8.750 0.020 . 1 . . . . 148 ASN H . 17647 1 574 . 1 1 148 148 ASN C C 13 174.283 0.300 . 1 . . . . 148 ASN C . 17647 1 575 . 1 1 148 148 ASN CA C 13 53.171 0.300 . 1 . . . . 148 ASN CA . 17647 1 576 . 1 1 148 148 ASN CB C 13 39.645 0.300 . 1 . . . . 148 ASN CB . 17647 1 577 . 1 1 148 148 ASN N N 15 131.305 0.300 . 1 . . . . 148 ASN N . 17647 1 578 . 1 1 149 149 VAL H H 1 9.348 0.020 . 1 . . . . 149 VAL H . 17647 1 579 . 1 1 149 149 VAL C C 13 171.250 0.300 . 1 . . . . 149 VAL C . 17647 1 580 . 1 1 149 149 VAL CA C 13 60.896 0.300 . 1 . . . . 149 VAL CA . 17647 1 581 . 1 1 149 149 VAL CB C 13 33.089 0.300 . 1 . . . . 149 VAL CB . 17647 1 582 . 1 1 149 149 VAL N N 15 127.710 0.300 . 1 . . . . 149 VAL N . 17647 1 583 . 1 1 150 150 GLN H H 1 8.136 0.020 . 1 . . . . 150 GLN H . 17647 1 584 . 1 1 150 150 GLN C C 13 175.736 0.300 . 1 . . . . 150 GLN C . 17647 1 585 . 1 1 150 150 GLN CA C 13 52.991 0.300 . 1 . . . . 150 GLN CA . 17647 1 586 . 1 1 150 150 GLN CB C 13 29.504 0.300 . 1 . . . . 150 GLN CB . 17647 1 587 . 1 1 150 150 GLN N N 15 127.608 0.300 . 1 . . . . 150 GLN N . 17647 1 588 . 1 1 151 151 ILE H H 1 8.848 0.020 . 1 . . . . 151 ILE H . 17647 1 589 . 1 1 151 151 ILE C C 13 173.688 0.300 . 1 . . . . 151 ILE C . 17647 1 590 . 1 1 151 151 ILE CA C 13 58.712 0.300 . 1 . . . . 151 ILE CA . 17647 1 591 . 1 1 151 151 ILE CB C 13 38.934 0.300 . 1 . . . . 151 ILE CB . 17647 1 592 . 1 1 151 151 ILE N N 15 122.994 0.300 . 1 . . . . 151 ILE N . 17647 1 593 . 1 1 152 152 HIS H H 1 8.421 0.020 . 1 . . . . 152 HIS H . 17647 1 594 . 1 1 152 152 HIS C C 13 174.721 0.300 . 1 . . . . 152 HIS C . 17647 1 595 . 1 1 152 152 HIS CA C 13 53.949 0.300 . 1 . . . . 152 HIS CA . 17647 1 596 . 1 1 152 152 HIS CB C 13 30.825 0.300 . 1 . . . . 152 HIS CB . 17647 1 597 . 1 1 152 152 HIS N N 15 116.137 0.300 . 1 . . . . 152 HIS N . 17647 1 598 . 1 1 153 153 GLY H H 1 9.714 0.020 . 1 . . . . 153 GLY H . 17647 1 599 . 1 1 153 153 GLY C C 13 173.360 0.300 . 1 . . . . 153 GLY C . 17647 1 600 . 1 1 153 153 GLY CA C 13 45.323 0.300 . 1 . . . . 153 GLY CA . 17647 1 601 . 1 1 153 153 GLY N N 15 109.484 0.300 . 1 . . . . 153 GLY N . 17647 1 602 . 1 1 154 154 VAL H H 1 6.554 0.020 . 1 . . . . 154 VAL H . 17647 1 603 . 1 1 154 154 VAL C C 13 174.700 0.300 . 1 . . . . 154 VAL C . 17647 1 604 . 1 1 154 154 VAL CA C 13 59.491 0.300 . 1 . . . . 154 VAL CA . 17647 1 605 . 1 1 154 154 VAL CB C 13 33.994 0.300 . 1 . . . . 154 VAL CB . 17647 1 606 . 1 1 154 154 VAL N N 15 116.137 0.300 . 1 . . . . 154 VAL N . 17647 1 607 . 1 1 155 155 GLY H H 1 8.482 0.020 . 1 . . . . 155 GLY H . 17647 1 608 . 1 1 155 155 GLY C C 13 173.267 0.300 . 1 . . . . 155 GLY C . 17647 1 609 . 1 1 155 155 GLY CA C 13 43.285 0.300 . 1 . . . . 155 GLY CA . 17647 1 610 . 1 1 155 155 GLY N N 15 115.118 0.300 . 1 . . . . 155 GLY N . 17647 1 611 . 1 1 156 156 HIS H H 1 9.641 0.020 . 1 . . . . 156 HIS H . 17647 1 612 . 1 1 156 156 HIS C C 13 179.419 0.300 . 1 . . . . 156 HIS C . 17647 1 613 . 1 1 156 156 HIS CA C 13 61.011 0.300 . 1 . . . . 156 HIS CA . 17647 1 614 . 1 1 156 156 HIS CB C 13 29.291 0.300 . 1 . . . . 156 HIS CB . 17647 1 615 . 1 1 156 156 HIS N N 15 119.043 0.300 . 1 . . . . 156 HIS N . 17647 1 616 . 1 1 157 157 MET H H 1 9.299 0.020 . 1 . . . . 157 MET H . 17647 1 617 . 1 1 157 157 MET C C 13 179.271 0.300 . 1 . . . . 157 MET C . 17647 1 618 . 1 1 157 157 MET CA C 13 54.642 0.300 . 1 . . . . 157 MET CA . 17647 1 619 . 1 1 157 157 MET CB C 13 28.154 0.300 . 1 . . . . 157 MET CB . 17647 1 620 . 1 1 157 157 MET N N 15 116.112 0.300 . 1 . . . . 157 MET N . 17647 1 621 . 1 1 158 158 GLY H H 1 7.786 0.020 . 1 . . . . 158 GLY H . 17647 1 622 . 1 1 158 158 GLY C C 13 176.501 0.300 . 1 . . . . 158 GLY C . 17647 1 623 . 1 1 158 158 GLY CA C 13 45.807 0.300 . 1 . . . . 158 GLY CA . 17647 1 624 . 1 1 158 158 GLY N N 15 108.847 0.300 . 1 . . . . 158 GLY N . 17647 1 625 . 1 1 159 159 LEU H H 1 7.261 0.020 . 1 . . . . 159 LEU H . 17647 1 626 . 1 1 159 159 LEU C C 13 176.501 0.300 . 1 . . . . 159 LEU C . 17647 1 627 . 1 1 159 159 LEU CA C 13 57.180 0.300 . 1 . . . . 159 LEU CA . 17647 1 628 . 1 1 159 159 LEU CB C 13 42.817 0.300 . 1 . . . . 159 LEU CB . 17647 1 629 . 1 1 159 159 LEU N N 15 122.077 0.300 . 1 . . . . 159 LEU N . 17647 1 630 . 1 1 160 160 LEU H H 1 6.685 0.020 . 1 . . . . 160 LEU H . 17647 1 631 . 1 1 160 160 LEU C C 13 176.516 0.300 . 1 . . . . 160 LEU C . 17647 1 632 . 1 1 160 160 LEU CA C 13 54.786 0.300 . 1 . . . . 160 LEU CA . 17647 1 633 . 1 1 160 160 LEU CB C 13 40.274 0.300 . 1 . . . . 160 LEU CB . 17647 1 634 . 1 1 160 160 LEU N N 15 110.223 0.300 . 1 . . . . 160 LEU N . 17647 1 635 . 1 1 161 161 TYR H H 1 6.932 0.020 . 1 . . . . 161 TYR H . 17647 1 636 . 1 1 161 161 TYR C C 13 174.057 0.300 . 1 . . . . 161 TYR C . 17647 1 637 . 1 1 161 161 TYR CA C 13 55.917 0.300 . 1 . . . . 161 TYR CA . 17647 1 638 . 1 1 161 161 TYR CB C 13 39.667 0.300 . 1 . . . . 161 TYR CB . 17647 1 639 . 1 1 161 161 TYR N N 15 115.396 0.300 . 1 . . . . 161 TYR N . 17647 1 640 . 1 1 162 162 SER H H 1 6.139 0.020 . 1 . . . . 162 SER H . 17647 1 641 . 1 1 162 162 SER C C 13 172.801 0.300 . 1 . . . . 162 SER C . 17647 1 642 . 1 1 162 162 SER CA C 13 53.410 0.300 . 1 . . . . 162 SER CA . 17647 1 643 . 1 1 162 162 SER CB C 13 62.686 0.300 . 1 . . . . 162 SER CB . 17647 1 644 . 1 1 162 162 SER N N 15 115.220 0.300 . 1 . . . . 162 SER N . 17647 1 645 . 1 1 164 164 GLN H H 1 7.425 0.020 . 1 . . . . 164 GLN H . 17647 1 646 . 1 1 164 164 GLN C C 13 178.366 0.300 . 1 . . . . 164 GLN C . 17647 1 647 . 1 1 164 164 GLN CA C 13 57.958 0.300 . 1 . . . . 164 GLN CA . 17647 1 648 . 1 1 164 164 GLN CB C 13 27.316 0.300 . 1 . . . . 164 GLN CB . 17647 1 649 . 1 1 164 164 GLN N N 15 118.082 0.300 . 1 . . . . 164 GLN N . 17647 1 650 . 1 1 165 165 VAL H H 1 7.017 0.020 . 1 . . . . 165 VAL H . 17647 1 651 . 1 1 165 165 VAL C C 13 177.559 0.300 . 1 . . . . 165 VAL C . 17647 1 652 . 1 1 165 165 VAL CA C 13 65.523 0.300 . 1 . . . . 165 VAL CA . 17647 1 653 . 1 1 165 165 VAL CB C 13 30.107 0.300 . 1 . . . . 165 VAL CB . 17647 1 654 . 1 1 165 165 VAL N N 15 121.134 0.300 . 1 . . . . 165 VAL N . 17647 1 655 . 1 1 166 166 TYR H H 1 8.233 0.020 . 1 . . . . 166 TYR H . 17647 1 656 . 1 1 166 166 TYR C C 13 176.754 0.300 . 1 . . . . 166 TYR C . 17647 1 657 . 1 1 166 166 TYR CA C 13 57.322 0.300 . 1 . . . . 166 TYR CA . 17647 1 658 . 1 1 166 166 TYR CB C 13 31.848 0.300 . 1 . . . . 166 TYR CB . 17647 1 659 . 1 1 166 166 TYR N N 15 120.551 0.300 . 1 . . . . 166 TYR N . 17647 1 660 . 1 1 167 167 SER H H 1 7.164 0.020 . 1 . . . . 167 SER H . 17647 1 661 . 1 1 167 167 SER C C 13 177.046 0.300 . 1 . . . . 167 SER C . 17647 1 662 . 1 1 167 167 SER CA C 13 61.056 0.300 . 1 . . . . 167 SER CA . 17647 1 663 . 1 1 167 167 SER CB C 13 62.270 0.300 . 1 . . . . 167 SER CB . 17647 1 664 . 1 1 167 167 SER N N 15 111.472 0.300 . 1 . . . . 167 SER N . 17647 1 665 . 1 1 168 168 LEU H H 1 7.182 0.020 . 1 . . . . 168 LEU H . 17647 1 666 . 1 1 168 168 LEU CA C 13 56.963 0.300 . 1 . . . . 168 LEU CA . 17647 1 667 . 1 1 168 168 LEU CB C 13 42.338 0.300 . 1 . . . . 168 LEU CB . 17647 1 668 . 1 1 168 168 LEU N N 15 123.191 0.300 . 1 . . . . 168 LEU N . 17647 1 669 . 1 1 169 169 ILE H H 1 8.660 0.020 . 1 . . . . 169 ILE H . 17647 1 670 . 1 1 169 169 ILE C C 13 177.255 0.300 . 1 . . . . 169 ILE C . 17647 1 671 . 1 1 169 169 ILE CA C 13 65.439 0.300 . 1 . . . . 169 ILE CA . 17647 1 672 . 1 1 169 169 ILE CB C 13 36.521 0.300 . 1 . . . . 169 ILE CB . 17647 1 673 . 1 1 169 169 ILE N N 15 122.357 0.300 . 1 . . . . 169 ILE N . 17647 1 674 . 1 1 170 170 LYS H H 1 7.932 0.020 . 1 . . . . 170 LYS H . 17647 1 675 . 1 1 170 170 LYS C C 13 177.198 0.300 . 1 . . . . 170 LYS C . 17647 1 676 . 1 1 170 170 LYS CA C 13 59.874 0.300 . 1 . . . . 170 LYS CA . 17647 1 677 . 1 1 170 170 LYS CB C 13 31.446 0.300 . 1 . . . . 170 LYS CB . 17647 1 678 . 1 1 170 170 LYS N N 15 120.700 0.300 . 1 . . . . 170 LYS N . 17647 1 679 . 1 1 171 171 GLU H H 1 7.640 0.020 . 1 . . . . 171 GLU H . 17647 1 680 . 1 1 171 171 GLU C C 13 180.765 0.300 . 1 . . . . 171 GLU C . 17647 1 681 . 1 1 171 171 GLU CA C 13 59.078 0.300 . 1 . . . . 171 GLU CA . 17647 1 682 . 1 1 171 171 GLU CB C 13 28.752 0.300 . 1 . . . . 171 GLU CB . 17647 1 683 . 1 1 171 171 GLU N N 15 116.443 0.300 . 1 . . . . 171 GLU N . 17647 1 684 . 1 1 172 172 GLY H H 1 8.347 0.020 . 1 . . . . 172 GLY H . 17647 1 685 . 1 1 172 172 GLY C C 13 177.029 0.300 . 1 . . . . 172 GLY C . 17647 1 686 . 1 1 172 172 GLY CA C 13 46.767 0.300 . 1 . . . . 172 GLY CA . 17647 1 687 . 1 1 172 172 GLY N N 15 108.643 0.300 . 1 . . . . 172 GLY N . 17647 1 688 . 1 1 173 173 LEU H H 1 8.965 0.020 . 1 . . . . 173 LEU H . 17647 1 689 . 1 1 173 173 LEU C C 13 176.654 0.300 . 1 . . . . 173 LEU C . 17647 1 690 . 1 1 173 173 LEU CA C 13 56.467 0.300 . 1 . . . . 173 LEU CA . 17647 1 691 . 1 1 173 173 LEU CB C 13 40.303 0.300 . 1 . . . . 173 LEU CB . 17647 1 692 . 1 1 173 173 LEU N N 15 124.483 0.300 . 1 . . . . 173 LEU N . 17647 1 693 . 1 1 174 174 ASN H H 1 7.673 0.020 . 1 . . . . 174 ASN H . 17647 1 694 . 1 1 174 174 ASN C C 13 173.761 0.300 . 1 . . . . 174 ASN C . 17647 1 695 . 1 1 174 174 ASN CA C 13 51.984 0.300 . 1 . . . . 174 ASN CA . 17647 1 696 . 1 1 174 174 ASN CB C 13 37.430 0.300 . 1 . . . . 174 ASN CB . 17647 1 697 . 1 1 174 174 ASN N N 15 117.335 0.300 . 1 . . . . 174 ASN N . 17647 1 698 . 1 1 175 175 GLY H H 1 7.448 0.020 . 1 . . . . 175 GLY H . 17647 1 699 . 1 1 175 175 GLY C C 13 174.712 0.300 . 1 . . . . 175 GLY C . 17647 1 700 . 1 1 175 175 GLY CA C 13 45.238 0.300 . 1 . . . . 175 GLY CA . 17647 1 701 . 1 1 175 175 GLY N N 15 106.527 0.300 . 1 . . . . 175 GLY N . 17647 1 702 . 1 1 176 176 GLY H H 1 8.212 0.020 . 1 . . . . 176 GLY H . 17647 1 703 . 1 1 176 176 GLY C C 13 174.996 0.300 . 1 . . . . 176 GLY C . 17647 1 704 . 1 1 176 176 GLY CA C 13 45.135 0.300 . 1 . . . . 176 GLY CA . 17647 1 705 . 1 1 176 176 GLY N N 15 106.917 0.300 . 1 . . . . 176 GLY N . 17647 1 706 . 1 1 177 177 GLY H H 1 8.201 0.020 . 1 . . . . 177 GLY H . 17647 1 707 . 1 1 177 177 GLY C C 13 170.499 0.300 . 1 . . . . 177 GLY C . 17647 1 708 . 1 1 177 177 GLY CA C 13 44.356 0.300 . 1 . . . . 177 GLY CA . 17647 1 709 . 1 1 177 177 GLY N N 15 108.705 0.300 . 1 . . . . 177 GLY N . 17647 1 710 . 1 1 178 178 GLN H H 1 8.042 0.020 . 1 . . . . 178 GLN H . 17647 1 711 . 1 1 178 178 GLN C C 13 176.158 0.300 . 1 . . . . 178 GLN C . 17647 1 712 . 1 1 178 178 GLN CA C 13 54.107 0.300 . 1 . . . . 178 GLN CA . 17647 1 713 . 1 1 178 178 GLN CB C 13 33.600 0.300 . 1 . . . . 178 GLN CB . 17647 1 714 . 1 1 178 178 GLN N N 15 113.665 0.300 . 1 . . . . 178 GLN N . 17647 1 715 . 1 1 179 179 ASN H H 1 8.860 0.020 . 1 . . . . 179 ASN H . 17647 1 716 . 1 1 179 179 ASN C C 13 175.523 0.300 . 1 . . . . 179 ASN C . 17647 1 717 . 1 1 179 179 ASN CA C 13 53.754 0.300 . 1 . . . . 179 ASN CA . 17647 1 718 . 1 1 179 179 ASN CB C 13 37.483 0.300 . 1 . . . . 179 ASN CB . 17647 1 719 . 1 1 179 179 ASN N N 15 117.259 0.300 . 1 . . . . 179 ASN N . 17647 1 720 . 1 1 180 180 THR H H 1 8.689 0.020 . 1 . . . . 180 THR H . 17647 1 721 . 1 1 180 180 THR C C 13 174.479 0.300 . 1 . . . . 180 THR C . 17647 1 722 . 1 1 180 180 THR CA C 13 60.942 0.300 . 1 . . . . 180 THR CA . 17647 1 723 . 1 1 180 180 THR CB C 13 67.414 0.300 . 1 . . . . 180 THR CB . 17647 1 724 . 1 1 180 180 THR N N 15 116.239 0.300 . 1 . . . . 180 THR N . 17647 1 725 . 1 1 181 181 ASN H H 1 8.067 0.020 . 1 . . . . 181 ASN H . 17647 1 726 . 1 1 181 181 ASN C C 13 179.020 0.300 . 1 . . . . 181 ASN C . 17647 1 727 . 1 1 181 181 ASN CA C 13 54.727 0.300 . 1 . . . . 181 ASN CA . 17647 1 728 . 1 1 181 181 ASN CB C 13 38.627 0.300 . 1 . . . . 181 ASN CB . 17647 1 729 . 1 1 181 181 ASN N N 15 125.722 0.300 . 1 . . . . 181 ASN N . 17647 1 stop_ save_