data_16599 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16599 _Entry.Title ; Backbone resonance assignments of clytin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-11-09 _Entry.Accession_date 2009-11-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yingang Feng . . . 16599 2 Jinfeng Wang . . . 16599 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16599 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 542 16599 '15N chemical shifts' 194 16599 '1H chemical shifts' 557 16599 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 3 . . 2011-01-18 2009-11-11 update BMRB 'update entry citation' 16599 2 . . 2010-10-19 2009-11-11 update BMRB 'update entry citation' 16599 1 . . 2010-09-28 2009-11-11 original author 'original release' 16599 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16599 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20926380 _Citation.Full_citation . _Citation.Title 'NMR-derived topology of a GFP-photoprotein energy transfer complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 52 _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 40891 _Citation.Page_last 40900 _Citation.Year 2010 _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 Maxim Titushin . S. . 16599 1 2 Yingang Feng . . . 16599 1 3 Galina Stepanyuk . A. . 16599 1 4 Yang Li . . . 16599 1 5 Svetlana Markova . V. . 16599 1 6 Stefan Golz . . . 16599 1 7 Bi-Cheng Wang . . . 16599 1 8 John Lee . . . 16599 1 9 Jinfeng Wang . . . 16599 1 10 Eugene Vysotski . S. . 16599 1 11 Zhi-Jie Liu . . . 16599 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16599 _Assembly.ID 1 _Assembly.Name 'clytin monomer' _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 component1 1 $clytin A . yes native no no . . . 16599 1 2 component2 2 $CZH A . no native no no . . . 16599 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_clytin _Entity.Sf_category entity _Entity.Sf_framecode clytin _Entity.Entry_ID 16599 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name clytin _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 ; MTDTASKYAVKLKTNFEDPK WVNRHKFMFNFLDINGNGKI TLDEIVSKASDDICAKLGAT PAQTQRHQEAVEAFFKKIGL DYGKEVEFPAFVNGWKELAK HDLKLWSQNKKSLIRNWGEA VFDIFDKDGSGSISLDEWKT YGGISGICPSDEDAEKTFKH CDLDNSGKLDVDEMTRQHLG FWYTLDPNADGLYGNFVP ; _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 198 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 3KPX . "Crystal Structure Analysis Of Photoprotein Clytin" . . . . . 100.00 198 100.00 100.00 4.42e-143 . . . . 16599 1 2 no GB ADI71937 . "apophotoprotein clytin-3 [Clytia gregaria]" . . . . . 100.00 198 100.00 100.00 4.42e-143 . . . . 16599 1 3 no GB ADI71938 . "apophotoprotein clytin-5 [Clytia gregaria]" . . . . . 100.00 198 100.00 100.00 4.42e-143 . . . . 16599 1 4 no GB ADI71939 . "apophotoprotein clytin-6 [Clytia gregaria]" . . . . . 100.00 198 100.00 100.00 4.42e-143 . . . . 16599 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 . MET . 16599 1 2 . THR . 16599 1 3 . ASP . 16599 1 4 . THR . 16599 1 5 . ALA . 16599 1 6 . SER . 16599 1 7 . LYS . 16599 1 8 . TYR . 16599 1 9 . ALA . 16599 1 10 . VAL . 16599 1 11 . LYS . 16599 1 12 . LEU . 16599 1 13 . LYS . 16599 1 14 . THR . 16599 1 15 . ASN . 16599 1 16 . PHE . 16599 1 17 . GLU . 16599 1 18 . ASP . 16599 1 19 . PRO . 16599 1 20 . LYS . 16599 1 21 . TRP . 16599 1 22 . VAL . 16599 1 23 . ASN . 16599 1 24 . ARG . 16599 1 25 . HIS . 16599 1 26 . LYS . 16599 1 27 . PHE . 16599 1 28 . MET . 16599 1 29 . PHE . 16599 1 30 . ASN . 16599 1 31 . PHE . 16599 1 32 . LEU . 16599 1 33 . ASP . 16599 1 34 . ILE . 16599 1 35 . ASN . 16599 1 36 . GLY . 16599 1 37 . ASN . 16599 1 38 . GLY . 16599 1 39 . LYS . 16599 1 40 . ILE . 16599 1 41 . THR . 16599 1 42 . LEU . 16599 1 43 . ASP . 16599 1 44 . GLU . 16599 1 45 . ILE . 16599 1 46 . VAL . 16599 1 47 . SER . 16599 1 48 . LYS . 16599 1 49 . ALA . 16599 1 50 . SER . 16599 1 51 . ASP . 16599 1 52 . ASP . 16599 1 53 . ILE . 16599 1 54 . CYS . 16599 1 55 . ALA . 16599 1 56 . LYS . 16599 1 57 . LEU . 16599 1 58 . GLY . 16599 1 59 . ALA . 16599 1 60 . THR . 16599 1 61 . PRO . 16599 1 62 . ALA . 16599 1 63 . GLN . 16599 1 64 . THR . 16599 1 65 . GLN . 16599 1 66 . ARG . 16599 1 67 . HIS . 16599 1 68 . GLN . 16599 1 69 . GLU . 16599 1 70 . ALA . 16599 1 71 . VAL . 16599 1 72 . GLU . 16599 1 73 . ALA . 16599 1 74 . PHE . 16599 1 75 . PHE . 16599 1 76 . LYS . 16599 1 77 . LYS . 16599 1 78 . ILE . 16599 1 79 . GLY . 16599 1 80 . LEU . 16599 1 81 . ASP . 16599 1 82 . TYR . 16599 1 83 . GLY . 16599 1 84 . LYS . 16599 1 85 . GLU . 16599 1 86 . VAL . 16599 1 87 . GLU . 16599 1 88 . PHE . 16599 1 89 . PRO . 16599 1 90 . ALA . 16599 1 91 . PHE . 16599 1 92 . VAL . 16599 1 93 . ASN . 16599 1 94 . GLY . 16599 1 95 . TRP . 16599 1 96 . LYS . 16599 1 97 . GLU . 16599 1 98 . LEU . 16599 1 99 . ALA . 16599 1 100 . LYS . 16599 1 101 . HIS . 16599 1 102 . ASP . 16599 1 103 . LEU . 16599 1 104 . LYS . 16599 1 105 . LEU . 16599 1 106 . TRP . 16599 1 107 . SER . 16599 1 108 . GLN . 16599 1 109 . ASN . 16599 1 110 . LYS . 16599 1 111 . LYS . 16599 1 112 . SER . 16599 1 113 . LEU . 16599 1 114 . ILE . 16599 1 115 . ARG . 16599 1 116 . ASN . 16599 1 117 . TRP . 16599 1 118 . GLY . 16599 1 119 . GLU . 16599 1 120 . ALA . 16599 1 121 . VAL . 16599 1 122 . PHE . 16599 1 123 . ASP . 16599 1 124 . ILE . 16599 1 125 . PHE . 16599 1 126 . ASP . 16599 1 127 . LYS . 16599 1 128 . ASP . 16599 1 129 . GLY . 16599 1 130 . SER . 16599 1 131 . GLY . 16599 1 132 . SER . 16599 1 133 . ILE . 16599 1 134 . SER . 16599 1 135 . LEU . 16599 1 136 . ASP . 16599 1 137 . GLU . 16599 1 138 . TRP . 16599 1 139 . LYS . 16599 1 140 . THR . 16599 1 141 . TYR . 16599 1 142 . GLY . 16599 1 143 . GLY . 16599 1 144 . ILE . 16599 1 145 . SER . 16599 1 146 . GLY . 16599 1 147 . ILE . 16599 1 148 . CYS . 16599 1 149 . PRO . 16599 1 150 . SER . 16599 1 151 . ASP . 16599 1 152 . GLU . 16599 1 153 . ASP . 16599 1 154 . ALA . 16599 1 155 . GLU . 16599 1 156 . LYS . 16599 1 157 . THR . 16599 1 158 . PHE . 16599 1 159 . LYS . 16599 1 160 . HIS . 16599 1 161 . CYS . 16599 1 162 . ASP . 16599 1 163 . LEU . 16599 1 164 . ASP . 16599 1 165 . ASN . 16599 1 166 . SER . 16599 1 167 . GLY . 16599 1 168 . LYS . 16599 1 169 . LEU . 16599 1 170 . ASP . 16599 1 171 . VAL . 16599 1 172 . ASP . 16599 1 173 . GLU . 16599 1 174 . MET . 16599 1 175 . THR . 16599 1 176 . ARG . 16599 1 177 . GLN . 16599 1 178 . HIS . 16599 1 179 . LEU . 16599 1 180 . GLY . 16599 1 181 . PHE . 16599 1 182 . TRP . 16599 1 183 . TYR . 16599 1 184 . THR . 16599 1 185 . LEU . 16599 1 186 . ASP . 16599 1 187 . PRO . 16599 1 188 . ASN . 16599 1 189 . ALA . 16599 1 190 . ASP . 16599 1 191 . GLY . 16599 1 192 . LEU . 16599 1 193 . TYR . 16599 1 194 . GLY . 16599 1 195 . ASN . 16599 1 196 . PHE . 16599 1 197 . VAL . 16599 1 198 . PRO . 16599 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 16599 1 . THR 2 2 16599 1 . ASP 3 3 16599 1 . THR 4 4 16599 1 . ALA 5 5 16599 1 . SER 6 6 16599 1 . LYS 7 7 16599 1 . TYR 8 8 16599 1 . ALA 9 9 16599 1 . VAL 10 10 16599 1 . LYS 11 11 16599 1 . LEU 12 12 16599 1 . LYS 13 13 16599 1 . THR 14 14 16599 1 . ASN 15 15 16599 1 . PHE 16 16 16599 1 . GLU 17 17 16599 1 . ASP 18 18 16599 1 . PRO 19 19 16599 1 . LYS 20 20 16599 1 . TRP 21 21 16599 1 . VAL 22 22 16599 1 . ASN 23 23 16599 1 . ARG 24 24 16599 1 . HIS 25 25 16599 1 . LYS 26 26 16599 1 . PHE 27 27 16599 1 . MET 28 28 16599 1 . PHE 29 29 16599 1 . ASN 30 30 16599 1 . PHE 31 31 16599 1 . LEU 32 32 16599 1 . ASP 33 33 16599 1 . ILE 34 34 16599 1 . ASN 35 35 16599 1 . GLY 36 36 16599 1 . ASN 37 37 16599 1 . GLY 38 38 16599 1 . LYS 39 39 16599 1 . ILE 40 40 16599 1 . THR 41 41 16599 1 . LEU 42 42 16599 1 . ASP 43 43 16599 1 . GLU 44 44 16599 1 . ILE 45 45 16599 1 . VAL 46 46 16599 1 . SER 47 47 16599 1 . LYS 48 48 16599 1 . ALA 49 49 16599 1 . SER 50 50 16599 1 . ASP 51 51 16599 1 . ASP 52 52 16599 1 . ILE 53 53 16599 1 . CYS 54 54 16599 1 . ALA 55 55 16599 1 . LYS 56 56 16599 1 . LEU 57 57 16599 1 . GLY 58 58 16599 1 . ALA 59 59 16599 1 . THR 60 60 16599 1 . PRO 61 61 16599 1 . ALA 62 62 16599 1 . GLN 63 63 16599 1 . THR 64 64 16599 1 . GLN 65 65 16599 1 . ARG 66 66 16599 1 . HIS 67 67 16599 1 . GLN 68 68 16599 1 . GLU 69 69 16599 1 . ALA 70 70 16599 1 . VAL 71 71 16599 1 . GLU 72 72 16599 1 . ALA 73 73 16599 1 . PHE 74 74 16599 1 . PHE 75 75 16599 1 . LYS 76 76 16599 1 . LYS 77 77 16599 1 . ILE 78 78 16599 1 . GLY 79 79 16599 1 . LEU 80 80 16599 1 . ASP 81 81 16599 1 . TYR 82 82 16599 1 . GLY 83 83 16599 1 . LYS 84 84 16599 1 . GLU 85 85 16599 1 . VAL 86 86 16599 1 . GLU 87 87 16599 1 . PHE 88 88 16599 1 . PRO 89 89 16599 1 . ALA 90 90 16599 1 . PHE 91 91 16599 1 . VAL 92 92 16599 1 . ASN 93 93 16599 1 . GLY 94 94 16599 1 . TRP 95 95 16599 1 . LYS 96 96 16599 1 . GLU 97 97 16599 1 . LEU 98 98 16599 1 . ALA 99 99 16599 1 . LYS 100 100 16599 1 . HIS 101 101 16599 1 . ASP 102 102 16599 1 . LEU 103 103 16599 1 . LYS 104 104 16599 1 . LEU 105 105 16599 1 . TRP 106 106 16599 1 . SER 107 107 16599 1 . GLN 108 108 16599 1 . ASN 109 109 16599 1 . LYS 110 110 16599 1 . LYS 111 111 16599 1 . SER 112 112 16599 1 . LEU 113 113 16599 1 . ILE 114 114 16599 1 . ARG 115 115 16599 1 . ASN 116 116 16599 1 . TRP 117 117 16599 1 . GLY 118 118 16599 1 . GLU 119 119 16599 1 . ALA 120 120 16599 1 . VAL 121 121 16599 1 . PHE 122 122 16599 1 . ASP 123 123 16599 1 . ILE 124 124 16599 1 . PHE 125 125 16599 1 . ASP 126 126 16599 1 . LYS 127 127 16599 1 . ASP 128 128 16599 1 . GLY 129 129 16599 1 . SER 130 130 16599 1 . GLY 131 131 16599 1 . SER 132 132 16599 1 . ILE 133 133 16599 1 . SER 134 134 16599 1 . LEU 135 135 16599 1 . ASP 136 136 16599 1 . GLU 137 137 16599 1 . TRP 138 138 16599 1 . LYS 139 139 16599 1 . THR 140 140 16599 1 . TYR 141 141 16599 1 . GLY 142 142 16599 1 . GLY 143 143 16599 1 . ILE 144 144 16599 1 . SER 145 145 16599 1 . GLY 146 146 16599 1 . ILE 147 147 16599 1 . CYS 148 148 16599 1 . PRO 149 149 16599 1 . SER 150 150 16599 1 . ASP 151 151 16599 1 . GLU 152 152 16599 1 . ASP 153 153 16599 1 . ALA 154 154 16599 1 . GLU 155 155 16599 1 . LYS 156 156 16599 1 . THR 157 157 16599 1 . PHE 158 158 16599 1 . LYS 159 159 16599 1 . HIS 160 160 16599 1 . CYS 161 161 16599 1 . ASP 162 162 16599 1 . LEU 163 163 16599 1 . ASP 164 164 16599 1 . ASN 165 165 16599 1 . SER 166 166 16599 1 . GLY 167 167 16599 1 . LYS 168 168 16599 1 . LEU 169 169 16599 1 . ASP 170 170 16599 1 . VAL 171 171 16599 1 . ASP 172 172 16599 1 . GLU 173 173 16599 1 . MET 174 174 16599 1 . THR 175 175 16599 1 . ARG 176 176 16599 1 . GLN 177 177 16599 1 . HIS 178 178 16599 1 . LEU 179 179 16599 1 . GLY 180 180 16599 1 . PHE 181 181 16599 1 . TRP 182 182 16599 1 . TYR 183 183 16599 1 . THR 184 184 16599 1 . LEU 185 185 16599 1 . ASP 186 186 16599 1 . PRO 187 187 16599 1 . ASN 188 188 16599 1 . ALA 189 189 16599 1 . ASP 190 190 16599 1 . GLY 191 191 16599 1 . LEU 192 192 16599 1 . TYR 193 193 16599 1 . GLY 194 194 16599 1 . ASN 195 195 16599 1 . PHE 196 196 16599 1 . VAL 197 197 16599 1 . PRO 198 198 16599 1 stop_ save_ save_CZH _Entity.Sf_category entity _Entity.Sf_framecode CZH _Entity.Entry_ID 16599 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CZH _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CZH _Entity.Nonpolymer_comp_label $chem_comp_CZH _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _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 . CZH . 16599 2 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 16599 _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 $clytin . 27801 organism . 'Clytia gregaria' 'C. gregaria' . . Eukaryota Metazoa Clytia gregaria . . . . . . . . . . . . . . . . . . . . . 16599 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 16599 _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 $clytin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 16599 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CZH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CZH _Chem_comp.Entry_ID 16599 _Chem_comp.ID CZH _Chem_comp.Provenance . _Chem_comp.Name C2-HYDROPEROXY-COELENTERAZINE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CZH _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CZH _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C26 H21 N3 O5' _Chem_comp.Formula_weight 455.462 _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 1EJ3 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:38:24 2009 ; _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 c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16599 CZH c1ccc(cc1)CC2=NC(=CN3C2=NC(C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O SMILES 'OpenEye OEToolkits' 1.5.0 16599 CZH HOSWCJDTHOAORT-SANMLTNEBP InChIKey InChI 1.02b 16599 CZH InChI=1/C26H21N3O5/c30-20-10-6-18(7-11-20)15-26(34-33)25(32)29-16-23(19-8-12-21(31)13-9-19)27-22(24(29)28-26)14-17-4-2-1-3-5-17/h1-13,16,30-31,33H,14-15H2/t26-/m0/s1 InChI InChI 1.02b 16599 CZH O=C1N3C=C(N=C(C3=NC1(OO)Cc2ccc(O)cc2)Cc4ccccc4)c5ccc(O)cc5 SMILES ACDLabs 10.04 16599 CZH OO[C]1(Cc2ccc(O)cc2)N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C1=O SMILES CACTVS 3.341 16599 CZH OO[C@]1(Cc2ccc(O)cc2)N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C1=O SMILES_CANONICAL CACTVS 3.341 16599 CZH 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 (2S)-2-hydroperoxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)imidazo[3,2-a]pyrazin-3-one 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16599 CZH (2S)-8-benzyl-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(2H)-one 'SYSTEMATIC NAME' ACDLabs 10.04 16599 CZH 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 C10 . C10 . . C . . N 0 . . . . . . . . . . 47.649 . -3.027 . 33.530 . 1.648 0.909 3.314 . . 16599 CZH C11 . C11 . . C . . N 0 . . . . . . . . . . 47.088 . -1.658 . 33.204 . 0.703 0.763 4.479 . . 16599 CZH C12 . C12 . . C . . N 0 . . . . . . . . . . 47.957 . -0.517 . 32.998 . 1.113 0.100 5.621 . . 16599 CZH C13 . C13 . . C . . N 0 . . . . . . . . . . 47.412 . 0.761 . 32.686 . 0.248 -0.035 6.690 . . 16599 CZH C14 . C14 . . C . . N 0 . . . . . . . . . . 46.001 . 0.924 . 32.575 . -1.031 0.494 6.616 . . 16599 CZH C15 . C15 . . C . . N 0 . . . . . . . . . . 45.117 . -0.201 . 32.776 . -1.439 1.159 5.469 . . 16599 CZH C16 . C16 . . C . . N 0 . . . . . . . . . . 45.665 . -1.484 . 33.090 . -0.569 1.296 4.405 . . 16599 CZH C19 . C19 . . C . . N 0 . . . . . . . . . . 46.316 . -8.630 . 29.319 . 1.170 0.180 -3.592 . . 16599 CZH C2 . C2 . . C . . S 0 . . . . . . . . . . 48.410 . -3.704 . 32.345 . 1.485 -0.285 2.372 . . 16599 CZH C20 . C20 . . C . . N 0 . . . . . . . . . . 46.198 . -9.973 . 29.782 . 0.466 -0.554 -4.545 . . 16599 CZH C21 . C21 . . C . . N 0 . . . . . . . . . . 45.571 . -10.950 . 28.969 . 0.780 -0.427 -5.881 . . 16599 CZH C22 . C22 . . C . . N 0 . . . . . . . . . . 45.058 . -10.598 . 27.692 . 1.797 0.430 -6.278 . . 16599 CZH C23 . C23 . . C . . N 0 . . . . . . . . . . 45.169 . -9.263 . 27.213 . 2.501 1.162 -5.332 . . 16599 CZH C24 . C24 . . C . . N 0 . . . . . . . . . . 45.792 . -8.282 . 28.014 . 2.187 1.044 -3.994 . . 16599 CZH C26 . C26 . . C . . N 0 . . . . . . . . . . 49.653 . -8.044 . 32.965 . -2.253 -0.275 -0.157 . . 16599 CZH C27 . C27 . . C . . N 0 . . . . . . . . . . 48.984 . -8.606 . 34.184 . -3.103 -0.219 -1.400 . . 16599 CZH C28 . C28 . . C . . N 0 . . . . . . . . . . 49.248 . -8.033 . 35.468 . -3.431 -1.384 -2.066 . . 16599 CZH C29 . C29 . . C . . N 0 . . . . . . . . . . 48.617 . -8.569 . 36.640 . -4.211 -1.333 -3.206 . . 16599 CZH C3 . C3 . . C . . N 0 . . . . . . . . . . 47.410 . -4.138 . 31.211 . 2.391 -0.139 1.167 . . 16599 CZH C30 . C30 . . C . . N 0 . . . . . . . . . . 47.721 . -9.677 . 36.533 . -4.663 -0.116 -3.680 . . 16599 CZH C31 . C31 . . C . . N 0 . . . . . . . . . . 47.453 . -10.252 . 35.251 . -4.336 1.049 -3.013 . . 16599 CZH C32 . C32 . . C . . N 0 . . . . . . . . . . 48.078 . -9.724 . 34.083 . -3.560 0.997 -1.870 . . 16599 CZH C5 . C5 . . C . . N 0 . . . . . . . . . . 46.729 . -6.310 . 30.143 . 1.838 0.024 -1.240 . . 16599 CZH C6 . C6 . . C . . N 0 . . . . . . . . . . 46.976 . -7.656 . 30.188 . 0.834 0.046 -2.153 . . 16599 CZH C8 . C8 . . C . . N 0 . . . . . . . . . . 48.663 . -7.375 . 32.021 . -0.799 -0.168 -0.538 . . 16599 CZH C9 . C9 . . C . . N 0 . . . . . . . . . . 48.409 . -5.884 . 31.994 . 0.244 -0.198 0.500 . . 16599 CZH H101 . H101 . . H . . N 0 . . . . . . . . . . 46.844 . -3.698 . 33.911 . 2.674 0.944 3.681 . . 16599 CZH H102 . H102 . . H . . N 0 . . . . . . . . . . 48.299 . -2.977 . 34.434 . 1.423 1.829 2.776 . . 16599 CZH H12 . H12 . . H . . N 0 . . . . . . . . . . 49.051 . -0.623 . 33.080 . 2.109 -0.311 5.678 . . 16599 CZH H13 . H13 . . H . . N 0 . . . . . . . . . . 48.081 . 1.623 . 32.530 . 0.568 -0.553 7.582 . . 16599 CZH H15 . H15 . . H . . N 0 . . . . . . . . . . 44.024 . -0.080 . 32.689 . -2.436 1.572 5.410 . . 16599 CZH H16 . H16 . . H . . N 0 . . . . . . . . . . 44.988 . -2.341 . 33.244 . -0.886 1.814 3.512 . . 16599 CZH H17 . H17 . . H . . N 0 . . . . . . . . . . 44.579 . 2.275 . 32.200 . -1.749 1.134 8.235 . . 16599 CZH H20 . H20 . . H . . N 0 . . . . . . . . . . 46.592 . -10.257 . 30.772 . -0.324 -1.222 -4.236 . . 16599 CZH H21 . H21 . . H . . N 0 . . . . . . . . . . 45.482 . -11.988 . 29.331 . 0.235 -0.996 -6.620 . . 16599 CZH H23 . H23 . . H . . N 0 . . . . . . . . . . 44.772 . -8.988 . 26.221 . 3.291 1.828 -5.644 . . 16599 CZH H24 . H24 . . H . . N 0 . . . . . . . . . . 45.868 . -7.253 . 27.623 . 2.734 1.614 -3.258 . . 16599 CZH H25 . H25 . . H . . N 0 . . . . . . . . . . 44.121 . -11.325 . 26.096 . 1.556 1.268 -7.946 . . 16599 CZH H261 . H261 . . H . . N 0 . . . . . . . . . . 50.249 . -8.824 . 32.436 . -2.425 -1.219 0.358 . . 16599 CZH H262 . H262 . . H . . N 0 . . . . . . . . . . 50.478 . -7.347 . 33.243 . -2.517 0.551 0.501 . . 16599 CZH H28 . H28 . . H . . N 0 . . . . . . . . . . 49.938 . -7.177 . 35.554 . -3.078 -2.336 -1.696 . . 16599 CZH H29 . H29 . . H . . N 0 . . . . . . . . . . 48.822 . -8.126 . 37.629 . -4.467 -2.244 -3.727 . . 16599 CZH H30 . H30 . . H . . N 0 . . . . . . . . . . 47.238 . -10.086 . 37.436 . -5.272 -0.075 -4.571 . . 16599 CZH H31 . H31 . . H . . N 0 . . . . . . . . . . 46.761 . -11.106 . 35.162 . -4.689 2.001 -3.383 . . 16599 CZH H32 . H32 . . H . . N 0 . . . . . . . . . . 47.860 . -10.179 . 33.102 . -3.304 1.908 -1.349 . . 16599 CZH H34 . H34 . . H . . N 0 . . . . . . . . . . 50.258 . -1.850 . 30.361 . 1.767 -3.419 2.554 . . 16599 CZH H5 . H5 . . H . . N 0 . . . . . . . . . . 45.982 . -5.956 . 29.411 . 2.863 0.105 -1.569 . . 16599 CZH N1 . N1 . . N . . N 0 . . . . . . . . . . 48.985 . -4.949 . 32.757 . 0.131 -0.309 1.801 . . 16599 CZH N4 . N4 . . N . . N 0 . . . . . . . . . . 47.492 . -5.443 . 31.088 . 1.560 -0.097 0.099 . . 16599 CZH N7 . N7 . . N . . N 0 . . . . . . . . . . 47.981 . -8.177 . 31.168 . -0.454 -0.049 -1.790 . . 16599 CZH O17 . O17 . . O . . N 0 . . . . . . . . . . 45.520 . 2.167 . 32.274 . -1.883 0.363 7.667 . . 16599 CZH O18 . O18 . . O . . N 0 . . . . . . . . . . 46.693 . -3.373 . 30.566 . 3.601 -0.074 1.159 . . 16599 CZH O25 . O25 . . O . . N 0 . . . . . . . . . . 44.465 . -11.561 . 26.950 . 2.105 0.552 -7.596 . . 16599 CZH O33 . O33 . . O . . N 0 . . . . . . . . . . 49.557 . -2.888 . 31.948 . 1.760 -1.506 3.061 . . 16599 CZH O34 . O34 . . O . . N 0 . . . . . . . . . . 49.513 . -2.380 . 30.619 . 1.581 -2.592 2.088 . . 16599 CZH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 . . . . 16599 CZH 2 . DOUB N1 C9 . . . . 16599 CZH 3 . SING C2 C3 . . . . 16599 CZH 4 . SING C2 C10 . . . . 16599 CZH 5 . SING C2 O33 . . . . 16599 CZH 6 . SING C3 N4 . . . . 16599 CZH 7 . DOUB C3 O18 . . . . 16599 CZH 8 . SING N4 C5 . . . . 16599 CZH 9 . SING N4 C9 . . . . 16599 CZH 10 . DOUB C5 C6 . . . . 16599 CZH 11 . SING C5 H5 . . . . 16599 CZH 12 . SING C6 N7 . . . . 16599 CZH 13 . SING C6 C19 . . . . 16599 CZH 14 . DOUB N7 C8 . . . . 16599 CZH 15 . SING C8 C9 . . . . 16599 CZH 16 . SING C8 C26 . . . . 16599 CZH 17 . SING C10 C11 . . . . 16599 CZH 18 . SING C10 H101 . . . . 16599 CZH 19 . SING C10 H102 . . . . 16599 CZH 20 . DOUB C11 C12 . . . . 16599 CZH 21 . SING C11 C16 . . . . 16599 CZH 22 . SING C12 C13 . . . . 16599 CZH 23 . SING C12 H12 . . . . 16599 CZH 24 . DOUB C13 C14 . . . . 16599 CZH 25 . SING C13 H13 . . . . 16599 CZH 26 . SING C14 C15 . . . . 16599 CZH 27 . SING C14 O17 . . . . 16599 CZH 28 . DOUB C15 C16 . . . . 16599 CZH 29 . SING C15 H15 . . . . 16599 CZH 30 . SING C16 H16 . . . . 16599 CZH 31 . SING O17 H17 . . . . 16599 CZH 32 . DOUB C19 C20 . . . . 16599 CZH 33 . SING C19 C24 . . . . 16599 CZH 34 . SING C20 C21 . . . . 16599 CZH 35 . SING C20 H20 . . . . 16599 CZH 36 . DOUB C21 C22 . . . . 16599 CZH 37 . SING C21 H21 . . . . 16599 CZH 38 . SING C22 C23 . . . . 16599 CZH 39 . SING C22 O25 . . . . 16599 CZH 40 . DOUB C23 C24 . . . . 16599 CZH 41 . SING C23 H23 . . . . 16599 CZH 42 . SING C24 H24 . . . . 16599 CZH 43 . SING O25 H25 . . . . 16599 CZH 44 . SING C26 C27 . . . . 16599 CZH 45 . SING C26 H261 . . . . 16599 CZH 46 . SING C26 H262 . . . . 16599 CZH 47 . DOUB C27 C28 . . . . 16599 CZH 48 . SING C27 C32 . . . . 16599 CZH 49 . SING C28 C29 . . . . 16599 CZH 50 . SING C28 H28 . . . . 16599 CZH 51 . DOUB C29 C30 . . . . 16599 CZH 52 . SING C29 H29 . . . . 16599 CZH 53 . SING C30 C31 . . . . 16599 CZH 54 . SING C30 H30 . . . . 16599 CZH 55 . DOUB C31 C32 . . . . 16599 CZH 56 . SING C31 H31 . . . . 16599 CZH 57 . SING C32 H32 . . . . 16599 CZH 58 . SING O33 O34 . . . . 16599 CZH 59 . SING O34 H34 . . . . 16599 CZH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16599 _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 clytin '[U-13C; U-15N]' . . 1 $clytin . . 1.0 . . mM . . . . 16599 1 2 Tris-HCl 'natural abundance' . . . . . . 20 . . mM . . . . 16599 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16599 1 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 16599 1 5 DSS 'natural abundance' . . . . . . 0.02 . . % . . . . 16599 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16599 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16599 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 16599 _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' 20 . mM 16599 1 pH 7.0 . pH 16599 1 pressure 1 . atm 16599 1 temperature 293 . K 16599 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16599 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16599 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16599 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16599 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16599 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16599 2 processing 16599 2 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 16599 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 16599 _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 DMX . 600 . . . 16599 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 16599 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16599 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16599 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16599 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16599 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16599 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16599 1 7 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16599 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16599 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 16599 _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 . . . . . . . . . 16599 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16599 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16599 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 16599 _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' . . . 16599 1 2 '3D HNCO' . . . 16599 1 3 '3D HNCA' . . . 16599 1 4 '3D HNCACB' . . . 16599 1 5 '3D CBCA(CO)NH' . . . 16599 1 6 '3D HBHA(CO)NH' . . . 16599 1 7 '3D HBHANH' . . . 16599 1 8 '3D HN(CA)CO' . . . 16599 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 3 3 ASP H H 1 8.49 0.02 . 1 . . . . 3 ASP H . 16599 1 2 . 1 1 3 3 ASP HA H 1 4.72 0.02 . 1 . . . . 3 ASP HA . 16599 1 3 . 1 1 3 3 ASP HB2 H 1 2.74 0.02 . 2 . . . . 3 ASP HB2 . 16599 1 4 . 1 1 3 3 ASP C C 13 177 0.3 . 1 . . . . 3 ASP C . 16599 1 5 . 1 1 3 3 ASP CA C 13 54 0.3 . 1 . . . . 3 ASP CA . 16599 1 6 . 1 1 3 3 ASP CB C 13 40.9 0.3 . 1 . . . . 3 ASP CB . 16599 1 7 . 1 1 3 3 ASP N N 15 121.3 0.2 . 1 . . . . 3 ASP N . 16599 1 8 . 1 1 4 4 THR H H 1 8.28 0.02 . 1 . . . . 4 THR H . 16599 1 9 . 1 1 4 4 THR HA H 1 4.23 0.02 . 1 . . . . 4 THR HA . 16599 1 10 . 1 1 4 4 THR C C 13 174.7 0.3 . 1 . . . . 4 THR C . 16599 1 11 . 1 1 4 4 THR CA C 13 62.5 0.3 . 1 . . . . 4 THR CA . 16599 1 12 . 1 1 4 4 THR CB C 13 69.5 0.3 . 1 . . . . 4 THR CB . 16599 1 13 . 1 1 4 4 THR N N 15 115.4 0.2 . 1 . . . . 4 THR N . 16599 1 14 . 1 1 5 5 ALA H H 1 8.4 0.02 . 1 . . . . 5 ALA H . 16599 1 15 . 1 1 5 5 ALA HA H 1 4.29 0.02 . 1 . . . . 5 ALA HA . 16599 1 16 . 1 1 5 5 ALA HB1 H 1 1.41 0.02 . 1 . . . . 5 ALA HB . 16599 1 17 . 1 1 5 5 ALA HB2 H 1 1.41 0.02 . 1 . . . . 5 ALA HB . 16599 1 18 . 1 1 5 5 ALA HB3 H 1 1.41 0.02 . 1 . . . . 5 ALA HB . 16599 1 19 . 1 1 5 5 ALA C C 13 178.2 0.3 . 1 . . . . 5 ALA C . 16599 1 20 . 1 1 5 5 ALA CA C 13 53.1 0.3 . 1 . . . . 5 ALA CA . 16599 1 21 . 1 1 5 5 ALA CB C 13 19 0.3 . 1 . . . . 5 ALA CB . 16599 1 22 . 1 1 5 5 ALA N N 15 125.9 0.2 . 1 . . . . 5 ALA N . 16599 1 23 . 1 1 6 6 SER H H 1 8.22 0.02 . 1 . . . . 6 SER H . 16599 1 24 . 1 1 6 6 SER HA H 1 4.36 0.02 . 1 . . . . 6 SER HA . 16599 1 25 . 1 1 6 6 SER HB2 H 1 3.86 0.02 . 2 . . . . 6 SER HB2 . 16599 1 26 . 1 1 6 6 SER C C 13 175 0.3 . 1 . . . . 6 SER C . 16599 1 27 . 1 1 6 6 SER CA C 13 59 0.3 . 1 . . . . 6 SER CA . 16599 1 28 . 1 1 6 6 SER CB C 13 63.7 0.3 . 1 . . . . 6 SER CB . 16599 1 29 . 1 1 6 6 SER N N 15 114.8 0.2 . 1 . . . . 6 SER N . 16599 1 30 . 1 1 7 7 LYS H H 1 8.23 0.02 . 1 . . . . 7 LYS H . 16599 1 31 . 1 1 7 7 LYS HA H 1 4.16 0.02 . 1 . . . . 7 LYS HA . 16599 1 32 . 1 1 7 7 LYS HB2 H 1 1.62 0.02 . 2 . . . . 7 LYS HB2 . 16599 1 33 . 1 1 7 7 LYS C C 13 176.4 0.3 . 1 . . . . 7 LYS C . 16599 1 34 . 1 1 7 7 LYS CA C 13 57.3 0.3 . 1 . . . . 7 LYS CA . 16599 1 35 . 1 1 7 7 LYS CB C 13 32.7 0.3 . 1 . . . . 7 LYS CB . 16599 1 36 . 1 1 7 7 LYS N N 15 123.1 0.2 . 1 . . . . 7 LYS N . 16599 1 37 . 1 1 8 8 TYR H H 1 7.92 0.02 . 1 . . . . 8 TYR H . 16599 1 38 . 1 1 8 8 TYR HA H 1 4.56 0.02 . 1 . . . . 8 TYR HA . 16599 1 39 . 1 1 8 8 TYR HB2 H 1 2.89 0.02 . 2 . . . . 8 TYR HB2 . 16599 1 40 . 1 1 8 8 TYR HB3 H 1 3.1 0.02 . 2 . . . . 8 TYR HB3 . 16599 1 41 . 1 1 8 8 TYR C C 13 175.1 0.3 . 1 . . . . 8 TYR C . 16599 1 42 . 1 1 8 8 TYR CA C 13 57.4 0.3 . 1 . . . . 8 TYR CA . 16599 1 43 . 1 1 8 8 TYR CB C 13 38.8 0.3 . 1 . . . . 8 TYR CB . 16599 1 44 . 1 1 8 8 TYR N N 15 118.5 0.2 . 1 . . . . 8 TYR N . 16599 1 45 . 1 1 9 9 ALA H H 1 8.17 0.02 . 1 . . . . 9 ALA H . 16599 1 46 . 1 1 9 9 ALA HA H 1 4.46 0.02 . 1 . . . . 9 ALA HA . 16599 1 47 . 1 1 9 9 ALA HB1 H 1 1.38 0.02 . 1 . . . . 9 ALA HB . 16599 1 48 . 1 1 9 9 ALA HB2 H 1 1.38 0.02 . 1 . . . . 9 ALA HB . 16599 1 49 . 1 1 9 9 ALA HB3 H 1 1.38 0.02 . 1 . . . . 9 ALA HB . 16599 1 50 . 1 1 9 9 ALA C C 13 177 0.3 . 1 . . . . 9 ALA C . 16599 1 51 . 1 1 9 9 ALA CA C 13 51.7 0.3 . 1 . . . . 9 ALA CA . 16599 1 52 . 1 1 9 9 ALA CB C 13 18.9 0.3 . 1 . . . . 9 ALA CB . 16599 1 53 . 1 1 9 9 ALA N N 15 125.6 0.2 . 1 . . . . 9 ALA N . 16599 1 54 . 1 1 10 10 VAL H H 1 8.07 0.02 . 1 . . . . 10 VAL H . 16599 1 55 . 1 1 10 10 VAL HA H 1 4 0.02 . 1 . . . . 10 VAL HA . 16599 1 56 . 1 1 10 10 VAL HB H 1 1.93 0.02 . 1 . . . . 10 VAL HB . 16599 1 57 . 1 1 10 10 VAL C C 13 175.9 0.3 . 1 . . . . 10 VAL C . 16599 1 58 . 1 1 10 10 VAL CA C 13 62.4 0.3 . 1 . . . . 10 VAL CA . 16599 1 59 . 1 1 10 10 VAL CB C 13 33.1 0.3 . 1 . . . . 10 VAL CB . 16599 1 60 . 1 1 10 10 VAL N N 15 122.3 0.2 . 1 . . . . 10 VAL N . 16599 1 61 . 1 1 11 11 LYS H H 1 8.51 0.02 . 1 . . . . 11 LYS H . 16599 1 62 . 1 1 11 11 LYS HA H 1 4.22 0.02 . 1 . . . . 11 LYS HA . 16599 1 63 . 1 1 11 11 LYS HB2 H 1 1.87 0.02 . 2 . . . . 11 LYS HB2 . 16599 1 64 . 1 1 11 11 LYS C C 13 175.9 0.3 . 1 . . . . 11 LYS C . 16599 1 65 . 1 1 11 11 LYS CA C 13 56.9 0.3 . 1 . . . . 11 LYS CA . 16599 1 66 . 1 1 11 11 LYS CB C 13 33.4 0.3 . 1 . . . . 11 LYS CB . 16599 1 67 . 1 1 11 11 LYS N N 15 128.2 0.2 . 1 . . . . 11 LYS N . 16599 1 68 . 1 1 12 12 LEU H H 1 8.4 0.02 . 1 . . . . 12 LEU H . 16599 1 69 . 1 1 12 12 LEU HA H 1 4.54 0.02 . 1 . . . . 12 LEU HA . 16599 1 70 . 1 1 12 12 LEU HB2 H 1 1.64 0.02 . 2 . . . . 12 LEU HB2 . 16599 1 71 . 1 1 12 12 LEU C C 13 176.4 0.3 . 1 . . . . 12 LEU C . 16599 1 72 . 1 1 12 12 LEU CA C 13 54.6 0.3 . 1 . . . . 12 LEU CA . 16599 1 73 . 1 1 12 12 LEU CB C 13 43 0.3 . 1 . . . . 12 LEU CB . 16599 1 74 . 1 1 12 12 LEU N N 15 123 0.2 . 1 . . . . 12 LEU N . 16599 1 75 . 1 1 13 13 LYS H H 1 7.13 0.02 . 1 . . . . 13 LYS H . 16599 1 76 . 1 1 13 13 LYS HA H 1 4.34 0.02 . 1 . . . . 13 LYS HA . 16599 1 77 . 1 1 13 13 LYS HB2 H 1 1.71 0.02 . 2 . . . . 13 LYS HB2 . 16599 1 78 . 1 1 13 13 LYS C C 13 175.6 0.3 . 1 . . . . 13 LYS C . 16599 1 79 . 1 1 13 13 LYS CA C 13 55.5 0.3 . 1 . . . . 13 LYS CA . 16599 1 80 . 1 1 13 13 LYS CB C 13 33.5 0.3 . 1 . . . . 13 LYS CB . 16599 1 81 . 1 1 13 13 LYS N N 15 119.9 0.2 . 1 . . . . 13 LYS N . 16599 1 82 . 1 1 14 14 THR H H 1 7.82 0.02 . 1 . . . . 14 THR H . 16599 1 83 . 1 1 14 14 THR HA H 1 3.73 0.02 . 1 . . . . 14 THR HA . 16599 1 84 . 1 1 14 14 THR HB H 1 2.54 0.02 . 1 . . . . 14 THR HB . 16599 1 85 . 1 1 14 14 THR C C 13 173.3 0.3 . 1 . . . . 14 THR C . 16599 1 86 . 1 1 14 14 THR CA C 13 60.9 0.3 . 1 . . . . 14 THR CA . 16599 1 87 . 1 1 14 14 THR CB C 13 69.8 0.3 . 1 . . . . 14 THR CB . 16599 1 88 . 1 1 14 14 THR N N 15 112.9 0.2 . 1 . . . . 14 THR N . 16599 1 89 . 1 1 15 15 ASN H H 1 7.9 0.02 . 1 . . . . 15 ASN H . 16599 1 90 . 1 1 15 15 ASN HA H 1 4.84 0.02 . 1 . . . . 15 ASN HA . 16599 1 91 . 1 1 15 15 ASN HB2 H 1 2.3 0.02 . 2 . . . . 15 ASN HB2 . 16599 1 92 . 1 1 15 15 ASN HB3 H 1 2.87 0.02 . 2 . . . . 15 ASN HB3 . 16599 1 93 . 1 1 15 15 ASN HD21 H 1 7.88 0.02 . 2 . . . . 15 ASN HD21 . 16599 1 94 . 1 1 15 15 ASN HD22 H 1 6.71 0.02 . 2 . . . . 15 ASN HD22 . 16599 1 95 . 1 1 15 15 ASN C C 13 175.3 0.3 . 1 . . . . 15 ASN C . 16599 1 96 . 1 1 15 15 ASN CA C 13 52.3 0.3 . 1 . . . . 15 ASN CA . 16599 1 97 . 1 1 15 15 ASN CB C 13 39.5 0.3 . 1 . . . . 15 ASN CB . 16599 1 98 . 1 1 15 15 ASN N N 15 120.9 0.2 . 1 . . . . 15 ASN N . 16599 1 99 . 1 1 15 15 ASN ND2 N 15 113.5 0.2 . 1 . . . . 15 ASN ND2 . 16599 1 100 . 1 1 16 16 PHE H H 1 7.9 0.02 . 1 . . . . 16 PHE H . 16599 1 101 . 1 1 16 16 PHE HA H 1 3.93 0.02 . 1 . . . . 16 PHE HA . 16599 1 102 . 1 1 16 16 PHE HB2 H 1 2.73 0.02 . 2 . . . . 16 PHE HB2 . 16599 1 103 . 1 1 16 16 PHE C C 13 176.2 0.3 . 1 . . . . 16 PHE C . 16599 1 104 . 1 1 16 16 PHE CA C 13 56.7 0.3 . 1 . . . . 16 PHE CA . 16599 1 105 . 1 1 16 16 PHE CB C 13 38.4 0.3 . 1 . . . . 16 PHE CB . 16599 1 106 . 1 1 16 16 PHE N N 15 117.7 0.2 . 1 . . . . 16 PHE N . 16599 1 107 . 1 1 17 17 GLU H H 1 8.27 0.02 . 1 . . . . 17 GLU H . 16599 1 108 . 1 1 17 17 GLU HA H 1 4.46 0.02 . 1 . . . . 17 GLU HA . 16599 1 109 . 1 1 17 17 GLU HB2 H 1 2.3 0.02 . 2 . . . . 17 GLU HB2 . 16599 1 110 . 1 1 17 17 GLU HB3 H 1 1.99 0.02 . 2 . . . . 17 GLU HB3 . 16599 1 111 . 1 1 17 17 GLU C C 13 177.1 0.3 . 1 . . . . 17 GLU C . 16599 1 112 . 1 1 17 17 GLU CA C 13 55.3 0.3 . 1 . . . . 17 GLU CA . 16599 1 113 . 1 1 17 17 GLU CB C 13 29 0.3 . 1 . . . . 17 GLU CB . 16599 1 114 . 1 1 17 17 GLU N N 15 112.3 0.2 . 1 . . . . 17 GLU N . 16599 1 115 . 1 1 18 18 ASP H H 1 7.5 0.02 . 1 . . . . 18 ASP H . 16599 1 116 . 1 1 18 18 ASP HA H 1 4.84 0.02 . 1 . . . . 18 ASP HA . 16599 1 117 . 1 1 18 18 ASP HB2 H 1 2.63 0.02 . 2 . . . . 18 ASP HB2 . 16599 1 118 . 1 1 18 18 ASP HB3 H 1 3.13 0.02 . 2 . . . . 18 ASP HB3 . 16599 1 119 . 1 1 18 18 ASP C C 13 176.1 0.3 . 1 . . . . 18 ASP C . 16599 1 120 . 1 1 18 18 ASP CA C 13 51.9 0.3 . 1 . . . . 18 ASP CA . 16599 1 121 . 1 1 18 18 ASP CB C 13 43.1 0.3 . 1 . . . . 18 ASP CB . 16599 1 122 . 1 1 18 18 ASP N N 15 124.7 0.2 . 1 . . . . 18 ASP N . 16599 1 123 . 1 1 19 19 PRO HA H 1 4.38 0.02 . 1 . . . . 19 PRO HA . 16599 1 124 . 1 1 19 19 PRO HB2 H 1 2.05 0.02 . 2 . . . . 19 PRO HB2 . 16599 1 125 . 1 1 19 19 PRO HB3 H 1 2.48 0.02 . 2 . . . . 19 PRO HB3 . 16599 1 126 . 1 1 19 19 PRO C C 13 178 0.3 . 1 . . . . 19 PRO C . 16599 1 127 . 1 1 19 19 PRO CA C 13 64.9 0.3 . 1 . . . . 19 PRO CA . 16599 1 128 . 1 1 19 19 PRO CB C 13 32.3 0.3 . 1 . . . . 19 PRO CB . 16599 1 129 . 1 1 20 20 LYS H H 1 9.45 0.02 . 1 . . . . 20 LYS H . 16599 1 130 . 1 1 20 20 LYS HA H 1 4.07 0.02 . 1 . . . . 20 LYS HA . 16599 1 131 . 1 1 20 20 LYS HB2 H 1 1.87 0.02 . 2 . . . . 20 LYS HB2 . 16599 1 132 . 1 1 20 20 LYS C C 13 179.4 0.3 . 1 . . . . 20 LYS C . 16599 1 133 . 1 1 20 20 LYS CA C 13 59.6 0.3 . 1 . . . . 20 LYS CA . 16599 1 134 . 1 1 20 20 LYS CB C 13 32.7 0.3 . 1 . . . . 20 LYS CB . 16599 1 135 . 1 1 20 20 LYS N N 15 119 0.2 . 1 . . . . 20 LYS N . 16599 1 136 . 1 1 21 21 TRP H H 1 8.08 0.02 . 1 . . . . 21 TRP H . 16599 1 137 . 1 1 21 21 TRP C C 13 176.8 0.3 . 1 . . . . 21 TRP C . 16599 1 138 . 1 1 21 21 TRP CA C 13 62.5 0.3 . 1 . . . . 21 TRP CA . 16599 1 139 . 1 1 21 21 TRP CB C 13 28.3 0.3 . 1 . . . . 21 TRP CB . 16599 1 140 . 1 1 21 21 TRP N N 15 121.2 0.2 . 1 . . . . 21 TRP N . 16599 1 141 . 1 1 22 22 VAL H H 1 7.56 0.02 . 1 . . . . 22 VAL H . 16599 1 142 . 1 1 22 22 VAL HA H 1 3.35 0.02 . 1 . . . . 22 VAL HA . 16599 1 143 . 1 1 22 22 VAL HB H 1 2.18 0.02 . 1 . . . . 22 VAL HB . 16599 1 144 . 1 1 22 22 VAL C C 13 178.5 0.3 . 1 . . . . 22 VAL C . 16599 1 145 . 1 1 22 22 VAL CA C 13 67.2 0.3 . 1 . . . . 22 VAL CA . 16599 1 146 . 1 1 22 22 VAL CB C 13 32.3 0.3 . 1 . . . . 22 VAL CB . 16599 1 147 . 1 1 22 22 VAL N N 15 117.8 0.2 . 1 . . . . 22 VAL N . 16599 1 148 . 1 1 23 23 ASN H H 1 8.86 0.02 . 1 . . . . 23 ASN H . 16599 1 149 . 1 1 23 23 ASN HA H 1 4.45 0.02 . 1 . . . . 23 ASN HA . 16599 1 150 . 1 1 23 23 ASN HB2 H 1 2.62 0.02 . 2 . . . . 23 ASN HB2 . 16599 1 151 . 1 1 23 23 ASN HB3 H 1 2.83 0.02 . 2 . . . . 23 ASN HB3 . 16599 1 152 . 1 1 23 23 ASN HD21 H 1 7.69 0.02 . 2 . . . . 23 ASN HD21 . 16599 1 153 . 1 1 23 23 ASN HD22 H 1 7.01 0.02 . 2 . . . . 23 ASN HD22 . 16599 1 154 . 1 1 23 23 ASN C C 13 177 0.3 . 1 . . . . 23 ASN C . 16599 1 155 . 1 1 23 23 ASN CA C 13 55.9 0.3 . 1 . . . . 23 ASN CA . 16599 1 156 . 1 1 23 23 ASN CB C 13 38.4 0.3 . 1 . . . . 23 ASN CB . 16599 1 157 . 1 1 23 23 ASN N N 15 115.3 0.2 . 1 . . . . 23 ASN N . 16599 1 158 . 1 1 23 23 ASN ND2 N 15 112.9 0.2 . 1 . . . . 23 ASN ND2 . 16599 1 159 . 1 1 24 24 ARG H H 1 7.41 0.02 . 1 . . . . 24 ARG H . 16599 1 160 . 1 1 24 24 ARG HA H 1 3.68 0.02 . 1 . . . . 24 ARG HA . 16599 1 161 . 1 1 24 24 ARG C C 13 177.4 0.3 . 1 . . . . 24 ARG C . 16599 1 162 . 1 1 24 24 ARG CA C 13 60.1 0.3 . 1 . . . . 24 ARG CA . 16599 1 163 . 1 1 24 24 ARG CB C 13 29.9 0.3 . 1 . . . . 24 ARG CB . 16599 1 164 . 1 1 24 24 ARG N N 15 124.5 0.2 . 1 . . . . 24 ARG N . 16599 1 165 . 1 1 25 25 HIS H H 1 6.91 0.02 . 1 . . . . 25 HIS H . 16599 1 166 . 1 1 25 25 HIS HA H 1 4.48 0.02 . 1 . . . . 25 HIS HA . 16599 1 167 . 1 1 25 25 HIS HB2 H 1 2.5 0.02 . 2 . . . . 25 HIS HB2 . 16599 1 168 . 1 1 25 25 HIS C C 13 177.9 0.3 . 1 . . . . 25 HIS C . 16599 1 169 . 1 1 25 25 HIS CA C 13 60.3 0.3 . 1 . . . . 25 HIS CA . 16599 1 170 . 1 1 25 25 HIS CB C 13 30.4 0.3 . 1 . . . . 25 HIS CB . 16599 1 171 . 1 1 25 25 HIS N N 15 115.1 0.2 . 1 . . . . 25 HIS N . 16599 1 172 . 1 1 26 26 LYS H H 1 9.25 0.02 . 1 . . . . 26 LYS H . 16599 1 173 . 1 1 26 26 LYS HA H 1 3.72 0.02 . 1 . . . . 26 LYS HA . 16599 1 174 . 1 1 26 26 LYS C C 13 178.1 0.3 . 1 . . . . 26 LYS C . 16599 1 175 . 1 1 26 26 LYS CA C 13 59.5 0.3 . 1 . . . . 26 LYS CA . 16599 1 176 . 1 1 26 26 LYS CB C 13 32 0.3 . 1 . . . . 26 LYS CB . 16599 1 177 . 1 1 26 26 LYS N N 15 125.6 0.2 . 1 . . . . 26 LYS N . 16599 1 178 . 1 1 27 27 PHE H H 1 8.34 0.02 . 1 . . . . 27 PHE H . 16599 1 179 . 1 1 27 27 PHE HA H 1 4.01 0.02 . 1 . . . . 27 PHE HA . 16599 1 180 . 1 1 27 27 PHE C C 13 179.4 0.3 . 1 . . . . 27 PHE C . 16599 1 181 . 1 1 27 27 PHE CA C 13 62.1 0.3 . 1 . . . . 27 PHE CA . 16599 1 182 . 1 1 27 27 PHE CB C 13 38.3 0.3 . 1 . . . . 27 PHE CB . 16599 1 183 . 1 1 27 27 PHE N N 15 120.8 0.2 . 1 . . . . 27 PHE N . 16599 1 184 . 1 1 28 28 MET H H 1 7.57 0.02 . 1 . . . . 28 MET H . 16599 1 185 . 1 1 28 28 MET HA H 1 4.64 0.02 . 1 . . . . 28 MET HA . 16599 1 186 . 1 1 28 28 MET C C 13 178.6 0.3 . 1 . . . . 28 MET C . 16599 1 187 . 1 1 28 28 MET CA C 13 54.9 0.3 . 1 . . . . 28 MET CA . 16599 1 188 . 1 1 28 28 MET CB C 13 27.9 0.3 . 1 . . . . 28 MET CB . 16599 1 189 . 1 1 28 28 MET N N 15 117.9 0.2 . 1 . . . . 28 MET N . 16599 1 190 . 1 1 29 29 PHE H H 1 9.42 0.02 . 1 . . . . 29 PHE H . 16599 1 191 . 1 1 29 29 PHE HA H 1 3.75 0.02 . 1 . . . . 29 PHE HA . 16599 1 192 . 1 1 29 29 PHE HB2 H 1 3.28 0.02 . 2 . . . . 29 PHE HB2 . 16599 1 193 . 1 1 29 29 PHE C C 13 177 0.3 . 1 . . . . 29 PHE C . 16599 1 194 . 1 1 29 29 PHE CA C 13 62.7 0.3 . 1 . . . . 29 PHE CA . 16599 1 195 . 1 1 29 29 PHE CB C 13 39.7 0.3 . 1 . . . . 29 PHE CB . 16599 1 196 . 1 1 29 29 PHE N N 15 124 0.2 . 1 . . . . 29 PHE N . 16599 1 197 . 1 1 30 30 ASN H H 1 8.36 0.02 . 1 . . . . 30 ASN H . 16599 1 198 . 1 1 30 30 ASN HA H 1 4.32 0.02 . 1 . . . . 30 ASN HA . 16599 1 199 . 1 1 30 30 ASN HB2 H 1 2.71 0.02 . 2 . . . . 30 ASN HB2 . 16599 1 200 . 1 1 30 30 ASN HD21 H 1 7.54 0.02 . 2 . . . . 30 ASN HD21 . 16599 1 201 . 1 1 30 30 ASN HD22 H 1 6.73 0.02 . 2 . . . . 30 ASN HD22 . 16599 1 202 . 1 1 30 30 ASN C C 13 177.1 0.3 . 1 . . . . 30 ASN C . 16599 1 203 . 1 1 30 30 ASN CA C 13 56.1 0.3 . 1 . . . . 30 ASN CA . 16599 1 204 . 1 1 30 30 ASN CB C 13 37.8 0.3 . 1 . . . . 30 ASN CB . 16599 1 205 . 1 1 30 30 ASN N N 15 116.4 0.2 . 1 . . . . 30 ASN N . 16599 1 206 . 1 1 30 30 ASN ND2 N 15 111.7 0.2 . 1 . . . . 30 ASN ND2 . 16599 1 207 . 1 1 31 31 PHE H H 1 7.81 0.02 . 1 . . . . 31 PHE H . 16599 1 208 . 1 1 31 31 PHE HA H 1 4.09 0.02 . 1 . . . . 31 PHE HA . 16599 1 209 . 1 1 31 31 PHE C C 13 176.8 0.3 . 1 . . . . 31 PHE C . 16599 1 210 . 1 1 31 31 PHE CA C 13 59.6 0.3 . 1 . . . . 31 PHE CA . 16599 1 211 . 1 1 31 31 PHE CB C 13 38.8 0.3 . 1 . . . . 31 PHE CB . 16599 1 212 . 1 1 31 31 PHE N N 15 121.5 0.2 . 1 . . . . 31 PHE N . 16599 1 213 . 1 1 32 32 LEU H H 1 7.8 0.02 . 1 . . . . 32 LEU H . 16599 1 214 . 1 1 32 32 LEU C C 13 177.5 0.3 . 1 . . . . 32 LEU C . 16599 1 215 . 1 1 32 32 LEU CA C 13 55.5 0.3 . 1 . . . . 32 LEU CA . 16599 1 216 . 1 1 32 32 LEU CB C 13 42.4 0.3 . 1 . . . . 32 LEU CB . 16599 1 217 . 1 1 32 32 LEU N N 15 119.2 0.2 . 1 . . . . 32 LEU N . 16599 1 218 . 1 1 33 33 ASP H H 1 7.73 0.02 . 1 . . . . 33 ASP H . 16599 1 219 . 1 1 33 33 ASP HA H 1 4.57 0.02 . 1 . . . . 33 ASP HA . 16599 1 220 . 1 1 33 33 ASP C C 13 177.3 0.3 . 1 . . . . 33 ASP C . 16599 1 221 . 1 1 33 33 ASP CA C 13 52.4 0.3 . 1 . . . . 33 ASP CA . 16599 1 222 . 1 1 33 33 ASP CB C 13 39 0.3 . 1 . . . . 33 ASP CB . 16599 1 223 . 1 1 33 33 ASP N N 15 122.1 0.2 . 1 . . . . 33 ASP N . 16599 1 224 . 1 1 34 34 ILE H H 1 7.79 0.02 . 1 . . . . 34 ILE H . 16599 1 225 . 1 1 34 34 ILE HA H 1 3.82 0.02 . 1 . . . . 34 ILE HA . 16599 1 226 . 1 1 34 34 ILE HB H 1 1.81 0.02 . 1 . . . . 34 ILE HB . 16599 1 227 . 1 1 34 34 ILE C C 13 177.6 0.3 . 1 . . . . 34 ILE C . 16599 1 228 . 1 1 34 34 ILE CA C 13 63.4 0.3 . 1 . . . . 34 ILE CA . 16599 1 229 . 1 1 34 34 ILE CB C 13 38.1 0.3 . 1 . . . . 34 ILE CB . 16599 1 230 . 1 1 34 34 ILE N N 15 122.5 0.2 . 1 . . . . 34 ILE N . 16599 1 231 . 1 1 35 35 ASN H H 1 8.51 0.02 . 1 . . . . 35 ASN H . 16599 1 232 . 1 1 35 35 ASN HA H 1 4.68 0.02 . 1 . . . . 35 ASN HA . 16599 1 233 . 1 1 35 35 ASN HB2 H 1 2.75 0.02 . 2 . . . . 35 ASN HB2 . 16599 1 234 . 1 1 35 35 ASN HB3 H 1 2.95 0.02 . 2 . . . . 35 ASN HB3 . 16599 1 235 . 1 1 35 35 ASN HD21 H 1 7.6 0.02 . 2 . . . . 35 ASN HD21 . 16599 1 236 . 1 1 35 35 ASN HD22 H 1 6.88 0.02 . 2 . . . . 35 ASN HD22 . 16599 1 237 . 1 1 35 35 ASN C C 13 176.2 0.3 . 1 . . . . 35 ASN C . 16599 1 238 . 1 1 35 35 ASN CA C 13 53.2 0.3 . 1 . . . . 35 ASN CA . 16599 1 239 . 1 1 35 35 ASN CB C 13 38.2 0.3 . 1 . . . . 35 ASN CB . 16599 1 240 . 1 1 35 35 ASN N N 15 116.4 0.2 . 1 . . . . 35 ASN N . 16599 1 241 . 1 1 35 35 ASN ND2 N 15 113.6 0.2 . 1 . . . . 35 ASN ND2 . 16599 1 242 . 1 1 36 36 GLY H H 1 7.8 0.02 . 1 . . . . 36 GLY H . 16599 1 243 . 1 1 36 36 GLY HA2 H 1 3.8 0.02 . 2 . . . . 36 GLY HA2 . 16599 1 244 . 1 1 36 36 GLY C C 13 175.4 0.3 . 1 . . . . 36 GLY C . 16599 1 245 . 1 1 36 36 GLY CA C 13 47.4 0.3 . 1 . . . . 36 GLY CA . 16599 1 246 . 1 1 36 36 GLY N N 15 110.1 0.2 . 1 . . . . 36 GLY N . 16599 1 247 . 1 1 37 37 ASN H H 1 9.11 0.02 . 1 . . . . 37 ASN H . 16599 1 248 . 1 1 37 37 ASN HA H 1 4.8 0.02 . 1 . . . . 37 ASN HA . 16599 1 249 . 1 1 37 37 ASN HB2 H 1 2.7 0.02 . 2 . . . . 37 ASN HB2 . 16599 1 250 . 1 1 37 37 ASN HB3 H 1 3.03 0.02 . 2 . . . . 37 ASN HB3 . 16599 1 251 . 1 1 37 37 ASN HD21 H 1 7.84 0.02 . 2 . . . . 37 ASN HD21 . 16599 1 252 . 1 1 37 37 ASN HD22 H 1 7.02 0.02 . 2 . . . . 37 ASN HD22 . 16599 1 253 . 1 1 37 37 ASN C C 13 177.1 0.3 . 1 . . . . 37 ASN C . 16599 1 254 . 1 1 37 37 ASN CA C 13 53 0.3 . 1 . . . . 37 ASN CA . 16599 1 255 . 1 1 37 37 ASN CB C 13 39.3 0.3 . 1 . . . . 37 ASN CB . 16599 1 256 . 1 1 37 37 ASN N N 15 119.3 0.2 . 1 . . . . 37 ASN N . 16599 1 257 . 1 1 37 37 ASN ND2 N 15 112.1 0.2 . 1 . . . . 37 ASN ND2 . 16599 1 258 . 1 1 38 38 GLY H H 1 11.04 0.02 . 1 . . . . 38 GLY H . 16599 1 259 . 1 1 38 38 GLY HA2 H 1 3.81 0.02 . 2 . . . . 38 GLY HA2 . 16599 1 260 . 1 1 38 38 GLY HA3 H 1 4.23 0.02 . 2 . . . . 38 GLY HA3 . 16599 1 261 . 1 1 38 38 GLY C C 13 173.3 0.3 . 1 . . . . 38 GLY C . 16599 1 262 . 1 1 38 38 GLY CA C 13 45.9 0.3 . 1 . . . . 38 GLY CA . 16599 1 263 . 1 1 38 38 GLY N N 15 114.1 0.2 . 1 . . . . 38 GLY N . 16599 1 264 . 1 1 39 39 LYS H H 1 7.63 0.02 . 1 . . . . 39 LYS H . 16599 1 265 . 1 1 39 39 LYS HA H 1 5.28 0.02 . 1 . . . . 39 LYS HA . 16599 1 266 . 1 1 39 39 LYS HB2 H 1 1.56 0.02 . 2 . . . . 39 LYS HB2 . 16599 1 267 . 1 1 39 39 LYS C C 13 174.7 0.3 . 1 . . . . 39 LYS C . 16599 1 268 . 1 1 39 39 LYS CA C 13 54.4 0.3 . 1 . . . . 39 LYS CA . 16599 1 269 . 1 1 39 39 LYS CB C 13 36.1 0.3 . 1 . . . . 39 LYS CB . 16599 1 270 . 1 1 39 39 LYS N N 15 116.9 0.2 . 1 . . . . 39 LYS N . 16599 1 271 . 1 1 40 40 ILE H H 1 8.69 0.02 . 1 . . . . 40 ILE H . 16599 1 272 . 1 1 40 40 ILE HA H 1 5.18 0.02 . 1 . . . . 40 ILE HA . 16599 1 273 . 1 1 40 40 ILE HB H 1 1.66 0.02 . 1 . . . . 40 ILE HB . 16599 1 274 . 1 1 40 40 ILE C C 13 175.4 0.3 . 1 . . . . 40 ILE C . 16599 1 275 . 1 1 40 40 ILE CA C 13 59.2 0.3 . 1 . . . . 40 ILE CA . 16599 1 276 . 1 1 40 40 ILE CB C 13 42.1 0.3 . 1 . . . . 40 ILE CB . 16599 1 277 . 1 1 40 40 ILE N N 15 114.8 0.2 . 1 . . . . 40 ILE N . 16599 1 278 . 1 1 41 41 THR H H 1 7.97 0.02 . 1 . . . . 41 THR H . 16599 1 279 . 1 1 41 41 THR HA H 1 5.45 0.02 . 1 . . . . 41 THR HA . 16599 1 280 . 1 1 41 41 THR HB H 1 4.63 0.02 . 1 . . . . 41 THR HB . 16599 1 281 . 1 1 41 41 THR C C 13 175.7 0.3 . 1 . . . . 41 THR C . 16599 1 282 . 1 1 41 41 THR CA C 13 58.9 0.3 . 1 . . . . 41 THR CA . 16599 1 283 . 1 1 41 41 THR CB C 13 73.5 0.3 . 1 . . . . 41 THR CB . 16599 1 284 . 1 1 41 41 THR N N 15 110.7 0.2 . 1 . . . . 41 THR N . 16599 1 285 . 1 1 42 42 LEU H H 1 7.94 0.02 . 1 . . . . 42 LEU H . 16599 1 286 . 1 1 42 42 LEU HA H 1 3.89 0.02 . 1 . . . . 42 LEU HA . 16599 1 287 . 1 1 42 42 LEU C C 13 176.7 0.3 . 1 . . . . 42 LEU C . 16599 1 288 . 1 1 42 42 LEU CA C 13 56.2 0.3 . 1 . . . . 42 LEU CA . 16599 1 289 . 1 1 42 42 LEU CB C 13 41 0.3 . 1 . . . . 42 LEU CB . 16599 1 290 . 1 1 42 42 LEU N N 15 120.3 0.2 . 1 . . . . 42 LEU N . 16599 1 291 . 1 1 43 43 ASP H H 1 9.6 0.02 . 1 . . . . 43 ASP H . 16599 1 292 . 1 1 43 43 ASP HA H 1 4.23 0.02 . 1 . . . . 43 ASP HA . 16599 1 293 . 1 1 43 43 ASP HB2 H 1 2.71 0.02 . 2 . . . . 43 ASP HB2 . 16599 1 294 . 1 1 43 43 ASP C C 13 179.2 0.3 . 1 . . . . 43 ASP C . 16599 1 295 . 1 1 43 43 ASP CA C 13 56.5 0.3 . 1 . . . . 43 ASP CA . 16599 1 296 . 1 1 43 43 ASP CB C 13 39.8 0.3 . 1 . . . . 43 ASP CB . 16599 1 297 . 1 1 43 43 ASP N N 15 114 0.2 . 1 . . . . 43 ASP N . 16599 1 298 . 1 1 44 44 GLU H H 1 7.76 0.02 . 1 . . . . 44 GLU H . 16599 1 299 . 1 1 44 44 GLU HA H 1 4.07 0.02 . 1 . . . . 44 GLU HA . 16599 1 300 . 1 1 44 44 GLU C C 13 179.7 0.3 . 1 . . . . 44 GLU C . 16599 1 301 . 1 1 44 44 GLU CA C 13 58.8 0.3 . 1 . . . . 44 GLU CA . 16599 1 302 . 1 1 44 44 GLU CB C 13 29.7 0.3 . 1 . . . . 44 GLU CB . 16599 1 303 . 1 1 44 44 GLU N N 15 117.6 0.2 . 1 . . . . 44 GLU N . 16599 1 304 . 1 1 45 45 ILE H H 1 7.39 0.02 . 1 . . . . 45 ILE H . 16599 1 305 . 1 1 45 45 ILE HA H 1 3.72 0.02 . 1 . . . . 45 ILE HA . 16599 1 306 . 1 1 45 45 ILE HB H 1 1.89 0.02 . 1 . . . . 45 ILE HB . 16599 1 307 . 1 1 45 45 ILE C C 13 177.6 0.3 . 1 . . . . 45 ILE C . 16599 1 308 . 1 1 45 45 ILE CA C 13 63.9 0.3 . 1 . . . . 45 ILE CA . 16599 1 309 . 1 1 45 45 ILE CB C 13 37.4 0.3 . 1 . . . . 45 ILE CB . 16599 1 310 . 1 1 45 45 ILE N N 15 124.3 0.2 . 1 . . . . 45 ILE N . 16599 1 311 . 1 1 46 46 VAL H H 1 8.87 0.02 . 1 . . . . 46 VAL H . 16599 1 312 . 1 1 46 46 VAL HA H 1 3.7 0.02 . 1 . . . . 46 VAL HA . 16599 1 313 . 1 1 46 46 VAL HB H 1 2.21 0.02 . 1 . . . . 46 VAL HB . 16599 1 314 . 1 1 46 46 VAL C C 13 177.6 0.3 . 1 . . . . 46 VAL C . 16599 1 315 . 1 1 46 46 VAL CA C 13 67.2 0.3 . 1 . . . . 46 VAL CA . 16599 1 316 . 1 1 46 46 VAL CB C 13 31.1 0.3 . 1 . . . . 46 VAL CB . 16599 1 317 . 1 1 46 46 VAL N N 15 120 0.2 . 1 . . . . 46 VAL N . 16599 1 318 . 1 1 47 47 SER H H 1 8.04 0.02 . 1 . . . . 47 SER H . 16599 1 319 . 1 1 47 47 SER HA H 1 4.4 0.02 . 1 . . . . 47 SER HA . 16599 1 320 . 1 1 47 47 SER HB2 H 1 4.04 0.02 . 2 . . . . 47 SER HB2 . 16599 1 321 . 1 1 47 47 SER C C 13 177.5 0.3 . 1 . . . . 47 SER C . 16599 1 322 . 1 1 47 47 SER CA C 13 61.4 0.3 . 1 . . . . 47 SER CA . 16599 1 323 . 1 1 47 47 SER CB C 13 62.9 0.3 . 1 . . . . 47 SER CB . 16599 1 324 . 1 1 47 47 SER N N 15 115.5 0.2 . 1 . . . . 47 SER N . 16599 1 325 . 1 1 48 48 LYS H H 1 7.84 0.02 . 1 . . . . 48 LYS H . 16599 1 326 . 1 1 48 48 LYS HA H 1 4.22 0.02 . 1 . . . . 48 LYS HA . 16599 1 327 . 1 1 48 48 LYS C C 13 178.1 0.3 . 1 . . . . 48 LYS C . 16599 1 328 . 1 1 48 48 LYS CA C 13 59.3 0.3 . 1 . . . . 48 LYS CA . 16599 1 329 . 1 1 48 48 LYS CB C 13 32.3 0.3 . 1 . . . . 48 LYS CB . 16599 1 330 . 1 1 48 48 LYS N N 15 121.5 0.2 . 1 . . . . 48 LYS N . 16599 1 331 . 1 1 49 49 ALA H H 1 8.39 0.02 . 1 . . . . 49 ALA H . 16599 1 332 . 1 1 49 49 ALA HA H 1 4.58 0.02 . 1 . . . . 49 ALA HA . 16599 1 333 . 1 1 49 49 ALA HB1 H 1 2.01 0.02 . 1 . . . . 49 ALA HB . 16599 1 334 . 1 1 49 49 ALA HB2 H 1 2.01 0.02 . 1 . . . . 49 ALA HB . 16599 1 335 . 1 1 49 49 ALA HB3 H 1 2.01 0.02 . 1 . . . . 49 ALA HB . 16599 1 336 . 1 1 49 49 ALA C C 13 178.1 0.3 . 1 . . . . 49 ALA C . 16599 1 337 . 1 1 49 49 ALA CA C 13 56.1 0.3 . 1 . . . . 49 ALA CA . 16599 1 338 . 1 1 49 49 ALA CB C 13 19.9 0.3 . 1 . . . . 49 ALA CB . 16599 1 339 . 1 1 49 49 ALA N N 15 118.7 0.2 . 1 . . . . 49 ALA N . 16599 1 340 . 1 1 50 50 SER H H 1 9.34 0.02 . 1 . . . . 50 SER H . 16599 1 341 . 1 1 50 50 SER HA H 1 4.58 0.02 . 1 . . . . 50 SER HA . 16599 1 342 . 1 1 50 50 SER C C 13 174.6 0.3 . 1 . . . . 50 SER C . 16599 1 343 . 1 1 50 50 SER CA C 13 61.3 0.3 . 1 . . . . 50 SER CA . 16599 1 344 . 1 1 50 50 SER CB C 13 63.9 0.3 . 1 . . . . 50 SER CB . 16599 1 345 . 1 1 50 50 SER N N 15 112.5 0.2 . 1 . . . . 50 SER N . 16599 1 346 . 1 1 51 51 ASP H H 1 8.6 0.02 . 1 . . . . 51 ASP H . 16599 1 347 . 1 1 51 51 ASP HA H 1 4.58 0.02 . 1 . . . . 51 ASP HA . 16599 1 348 . 1 1 51 51 ASP HB2 H 1 2.71 0.02 . 2 . . . . 51 ASP HB2 . 16599 1 349 . 1 1 51 51 ASP HB3 H 1 2.89 0.02 . 2 . . . . 51 ASP HB3 . 16599 1 350 . 1 1 51 51 ASP C C 13 175.6 0.3 . 1 . . . . 51 ASP C . 16599 1 351 . 1 1 51 51 ASP CA C 13 56.2 0.3 . 1 . . . . 51 ASP CA . 16599 1 352 . 1 1 51 51 ASP CB C 13 40.6 0.3 . 1 . . . . 51 ASP CB . 16599 1 353 . 1 1 51 51 ASP N N 15 121.7 0.2 . 1 . . . . 51 ASP N . 16599 1 354 . 1 1 52 52 ASP H H 1 7.21 0.02 . 1 . . . . 52 ASP H . 16599 1 355 . 1 1 52 52 ASP HA H 1 4.83 0.02 . 1 . . . . 52 ASP HA . 16599 1 356 . 1 1 52 52 ASP HB2 H 1 3.49 0.02 . 2 . . . . 52 ASP HB2 . 16599 1 357 . 1 1 52 52 ASP HB3 H 1 2.8 0.02 . 2 . . . . 52 ASP HB3 . 16599 1 358 . 1 1 52 52 ASP C C 13 175.7 0.3 . 1 . . . . 52 ASP C . 16599 1 359 . 1 1 52 52 ASP CA C 13 55.5 0.3 . 1 . . . . 52 ASP CA . 16599 1 360 . 1 1 52 52 ASP CB C 13 41.9 0.3 . 1 . . . . 52 ASP CB . 16599 1 361 . 1 1 52 52 ASP N N 15 117.9 0.2 . 1 . . . . 52 ASP N . 16599 1 362 . 1 1 53 53 ILE H H 1 8.39 0.02 . 1 . . . . 53 ILE H . 16599 1 363 . 1 1 53 53 ILE HA H 1 3.64 0.02 . 1 . . . . 53 ILE HA . 16599 1 364 . 1 1 53 53 ILE C C 13 178.1 0.3 . 1 . . . . 53 ILE C . 16599 1 365 . 1 1 53 53 ILE CA C 13 65.8 0.3 . 1 . . . . 53 ILE CA . 16599 1 366 . 1 1 53 53 ILE CB C 13 37.6 0.3 . 1 . . . . 53 ILE CB . 16599 1 367 . 1 1 53 53 ILE N N 15 115.8 0.2 . 1 . . . . 53 ILE N . 16599 1 368 . 1 1 54 54 CYS H H 1 8.26 0.02 . 1 . . . . 54 CYS H . 16599 1 369 . 1 1 54 54 CYS HA H 1 3.87 0.02 . 1 . . . . 54 CYS HA . 16599 1 370 . 1 1 54 54 CYS HB2 H 1 2.94 0.02 . 2 . . . . 54 CYS HB2 . 16599 1 371 . 1 1 54 54 CYS HB3 H 1 3.34 0.02 . 2 . . . . 54 CYS HB3 . 16599 1 372 . 1 1 54 54 CYS C C 13 176.9 0.3 . 1 . . . . 54 CYS C . 16599 1 373 . 1 1 54 54 CYS CA C 13 67.2 0.3 . 1 . . . . 54 CYS CA . 16599 1 374 . 1 1 54 54 CYS CB C 13 26.7 0.3 . 1 . . . . 54 CYS CB . 16599 1 375 . 1 1 54 54 CYS N N 15 114.3 0.2 . 1 . . . . 54 CYS N . 16599 1 376 . 1 1 55 55 ALA H H 1 6.72 0.02 . 1 . . . . 55 ALA H . 16599 1 377 . 1 1 55 55 ALA HA H 1 4.25 0.02 . 1 . . . . 55 ALA HA . 16599 1 378 . 1 1 55 55 ALA HB1 H 1 1.48 0.02 . 1 . . . . 55 ALA HB . 16599 1 379 . 1 1 55 55 ALA HB2 H 1 1.48 0.02 . 1 . . . . 55 ALA HB . 16599 1 380 . 1 1 55 55 ALA HB3 H 1 1.48 0.02 . 1 . . . . 55 ALA HB . 16599 1 381 . 1 1 55 55 ALA C C 13 181.1 0.3 . 1 . . . . 55 ALA C . 16599 1 382 . 1 1 55 55 ALA CA C 13 55 0.3 . 1 . . . . 55 ALA CA . 16599 1 383 . 1 1 55 55 ALA CB C 13 18.4 0.3 . 1 . . . . 55 ALA CB . 16599 1 384 . 1 1 55 55 ALA N N 15 119.1 0.2 . 1 . . . . 55 ALA N . 16599 1 385 . 1 1 56 56 LYS H H 1 7.87 0.02 . 1 . . . . 56 LYS H . 16599 1 386 . 1 1 56 56 LYS HA H 1 4.1 0.02 . 1 . . . . 56 LYS HA . 16599 1 387 . 1 1 56 56 LYS C C 13 179.2 0.3 . 1 . . . . 56 LYS C . 16599 1 388 . 1 1 56 56 LYS CA C 13 59.2 0.3 . 1 . . . . 56 LYS CA . 16599 1 389 . 1 1 56 56 LYS CB C 13 33.2 0.3 . 1 . . . . 56 LYS CB . 16599 1 390 . 1 1 56 56 LYS N N 15 118 0.2 . 1 . . . . 56 LYS N . 16599 1 391 . 1 1 57 57 LEU H H 1 7.95 0.02 . 1 . . . . 57 LEU H . 16599 1 392 . 1 1 57 57 LEU HA H 1 4.25 0.02 . 1 . . . . 57 LEU HA . 16599 1 393 . 1 1 57 57 LEU HB2 H 1 1.4 0.02 . 2 . . . . 57 LEU HB2 . 16599 1 394 . 1 1 57 57 LEU HB3 H 1 1.7 0.02 . 2 . . . . 57 LEU HB3 . 16599 1 395 . 1 1 57 57 LEU C C 13 177.2 0.3 . 1 . . . . 57 LEU C . 16599 1 396 . 1 1 57 57 LEU CA C 13 55.1 0.3 . 1 . . . . 57 LEU CA . 16599 1 397 . 1 1 57 57 LEU CB C 13 42.6 0.3 . 1 . . . . 57 LEU CB . 16599 1 398 . 1 1 57 57 LEU N N 15 116.6 0.2 . 1 . . . . 57 LEU N . 16599 1 399 . 1 1 58 58 GLY H H 1 7.65 0.02 . 1 . . . . 58 GLY H . 16599 1 400 . 1 1 58 58 GLY HA2 H 1 3.82 0.02 . 2 . . . . 58 GLY HA2 . 16599 1 401 . 1 1 58 58 GLY HA3 H 1 3.93 0.02 . 2 . . . . 58 GLY HA3 . 16599 1 402 . 1 1 58 58 GLY C C 13 174.9 0.3 . 1 . . . . 58 GLY C . 16599 1 403 . 1 1 58 58 GLY CA C 13 46 0.3 . 1 . . . . 58 GLY CA . 16599 1 404 . 1 1 58 58 GLY N N 15 107.4 0.2 . 1 . . . . 58 GLY N . 16599 1 405 . 1 1 59 59 ALA H H 1 7.5 0.02 . 1 . . . . 59 ALA H . 16599 1 406 . 1 1 59 59 ALA HA H 1 4.32 0.02 . 1 . . . . 59 ALA HA . 16599 1 407 . 1 1 59 59 ALA HB1 H 1 1.31 0.02 . 1 . . . . 59 ALA HB . 16599 1 408 . 1 1 59 59 ALA HB2 H 1 1.31 0.02 . 1 . . . . 59 ALA HB . 16599 1 409 . 1 1 59 59 ALA HB3 H 1 1.31 0.02 . 1 . . . . 59 ALA HB . 16599 1 410 . 1 1 59 59 ALA C C 13 178 0.3 . 1 . . . . 59 ALA C . 16599 1 411 . 1 1 59 59 ALA CA C 13 51.8 0.3 . 1 . . . . 59 ALA CA . 16599 1 412 . 1 1 59 59 ALA CB C 13 19.5 0.3 . 1 . . . . 59 ALA CB . 16599 1 413 . 1 1 59 59 ALA N N 15 120.5 0.2 . 1 . . . . 59 ALA N . 16599 1 414 . 1 1 60 60 THR H H 1 8.69 0.02 . 1 . . . . 60 THR H . 16599 1 415 . 1 1 60 60 THR HA H 1 4.62 0.02 . 1 . . . . 60 THR HA . 16599 1 416 . 1 1 60 60 THR C C 13 175.1 0.3 . 1 . . . . 60 THR C . 16599 1 417 . 1 1 60 60 THR CA C 13 60.8 0.3 . 1 . . . . 60 THR CA . 16599 1 418 . 1 1 60 60 THR CB C 13 68.2 0.3 . 1 . . . . 60 THR CB . 16599 1 419 . 1 1 60 60 THR N N 15 113.2 0.2 . 1 . . . . 60 THR N . 16599 1 420 . 1 1 61 61 PRO HA H 1 4.34 0.02 . 1 . . . . 61 PRO HA . 16599 1 421 . 1 1 61 61 PRO HB2 H 1 2.03 0.02 . 2 . . . . 61 PRO HB2 . 16599 1 422 . 1 1 61 61 PRO HB3 H 1 2.45 0.02 . 2 . . . . 61 PRO HB3 . 16599 1 423 . 1 1 61 61 PRO C C 13 179.5 0.3 . 1 . . . . 61 PRO C . 16599 1 424 . 1 1 61 61 PRO CA C 13 66.8 0.3 . 1 . . . . 61 PRO CA . 16599 1 425 . 1 1 61 61 PRO CB C 13 31.3 0.3 . 1 . . . . 61 PRO CB . 16599 1 426 . 1 1 62 62 ALA H H 1 8.47 0.02 . 1 . . . . 62 ALA H . 16599 1 427 . 1 1 62 62 ALA HA H 1 4.22 0.02 . 1 . . . . 62 ALA HA . 16599 1 428 . 1 1 62 62 ALA HB1 H 1 1.43 0.02 . 1 . . . . 62 ALA HB . 16599 1 429 . 1 1 62 62 ALA HB2 H 1 1.43 0.02 . 1 . . . . 62 ALA HB . 16599 1 430 . 1 1 62 62 ALA HB3 H 1 1.43 0.02 . 1 . . . . 62 ALA HB . 16599 1 431 . 1 1 62 62 ALA C C 13 181.3 0.3 . 1 . . . . 62 ALA C . 16599 1 432 . 1 1 62 62 ALA CA C 13 55.5 0.3 . 1 . . . . 62 ALA CA . 16599 1 433 . 1 1 62 62 ALA CB C 13 18.2 0.3 . 1 . . . . 62 ALA CB . 16599 1 434 . 1 1 62 62 ALA N N 15 119.9 0.2 . 1 . . . . 62 ALA N . 16599 1 435 . 1 1 63 63 GLN H H 1 7.91 0.02 . 1 . . . . 63 GLN H . 16599 1 436 . 1 1 63 63 GLN HA H 1 4.05 0.02 . 1 . . . . 63 GLN HA . 16599 1 437 . 1 1 63 63 GLN C C 13 180.6 0.3 . 1 . . . . 63 GLN C . 16599 1 438 . 1 1 63 63 GLN CA C 13 58.4 0.3 . 1 . . . . 63 GLN CA . 16599 1 439 . 1 1 63 63 GLN CB C 13 29.2 0.3 . 1 . . . . 63 GLN CB . 16599 1 440 . 1 1 63 63 GLN N N 15 118.3 0.2 . 1 . . . . 63 GLN N . 16599 1 441 . 1 1 64 64 THR H H 1 9.04 0.02 . 1 . . . . 64 THR H . 16599 1 442 . 1 1 64 64 THR HA H 1 4.4 0.02 . 1 . . . . 64 THR HA . 16599 1 443 . 1 1 64 64 THR CA C 13 66.5 0.3 . 1 . . . . 64 THR CA . 16599 1 444 . 1 1 64 64 THR CB C 13 68.5 0.3 . 1 . . . . 64 THR CB . 16599 1 445 . 1 1 64 64 THR N N 15 120 0.2 . 1 . . . . 64 THR N . 16599 1 446 . 1 1 65 65 GLN H H 1 8.43 0.02 . 1 . . . . 65 GLN H . 16599 1 447 . 1 1 65 65 GLN HA H 1 4.1 0.02 . 1 . . . . 65 GLN HA . 16599 1 448 . 1 1 65 65 GLN HB2 H 1 2.24 0.02 . 2 . . . . 65 GLN HB2 . 16599 1 449 . 1 1 65 65 GLN HB3 H 1 2.11 0.02 . 2 . . . . 65 GLN HB3 . 16599 1 450 . 1 1 65 65 GLN HE21 H 1 7.89 0.02 . 1 . . . . 65 GLN HE21 . 16599 1 451 . 1 1 65 65 GLN HE22 H 1 6.76 0.02 . 1 . . . . 65 GLN HE22 . 16599 1 452 . 1 1 65 65 GLN C C 13 177.6 0.3 . 1 . . . . 65 GLN C . 16599 1 453 . 1 1 65 65 GLN CA C 13 59 0.3 . 1 . . . . 65 GLN CA . 16599 1 454 . 1 1 65 65 GLN CB C 13 27.6 0.3 . 1 . . . . 65 GLN CB . 16599 1 455 . 1 1 65 65 GLN CG C 13 32.8 0.3 . 1 . . . . 65 GLN CG . 16599 1 456 . 1 1 65 65 GLN N N 15 124 0.2 . 1 . . . . 65 GLN N . 16599 1 457 . 1 1 65 65 GLN NE2 N 15 112.4 0.2 . 1 . . . . 65 GLN NE2 . 16599 1 458 . 1 1 66 66 ARG H H 1 8.15 0.02 . 1 . . . . 66 ARG H . 16599 1 459 . 1 1 66 66 ARG HA H 1 4.12 0.02 . 1 . . . . 66 ARG HA . 16599 1 460 . 1 1 66 66 ARG C C 13 179.7 0.3 . 1 . . . . 66 ARG C . 16599 1 461 . 1 1 66 66 ARG CA C 13 59.4 0.3 . 1 . . . . 66 ARG CA . 16599 1 462 . 1 1 66 66 ARG CB C 13 30.1 0.3 . 1 . . . . 66 ARG CB . 16599 1 463 . 1 1 66 66 ARG N N 15 120.2 0.2 . 1 . . . . 66 ARG N . 16599 1 464 . 1 1 67 67 HIS H H 1 8.27 0.02 . 1 . . . . 67 HIS H . 16599 1 465 . 1 1 67 67 HIS HA H 1 4.07 0.02 . 1 . . . . 67 HIS HA . 16599 1 466 . 1 1 67 67 HIS C C 13 175 0.3 . 1 . . . . 67 HIS C . 16599 1 467 . 1 1 67 67 HIS CA C 13 61.2 0.3 . 1 . . . . 67 HIS CA . 16599 1 468 . 1 1 67 67 HIS CB C 13 28.9 0.3 . 1 . . . . 67 HIS CB . 16599 1 469 . 1 1 67 67 HIS N N 15 119.2 0.2 . 1 . . . . 67 HIS N . 16599 1 470 . 1 1 68 68 GLN H H 1 8.92 0.02 . 1 . . . . 68 GLN H . 16599 1 471 . 1 1 68 68 GLN HA H 1 3.59 0.02 . 1 . . . . 68 GLN HA . 16599 1 472 . 1 1 68 68 GLN C C 13 177.8 0.3 . 1 . . . . 68 GLN C . 16599 1 473 . 1 1 68 68 GLN CA C 13 61 0.3 . 1 . . . . 68 GLN CA . 16599 1 474 . 1 1 68 68 GLN CB C 13 29 0.3 . 1 . . . . 68 GLN CB . 16599 1 475 . 1 1 68 68 GLN N N 15 122.2 0.2 . 1 . . . . 68 GLN N . 16599 1 476 . 1 1 69 69 GLU H H 1 8.48 0.02 . 1 . . . . 69 GLU H . 16599 1 477 . 1 1 69 69 GLU HA H 1 4.04 0.02 . 1 . . . . 69 GLU HA . 16599 1 478 . 1 1 69 69 GLU HB3 H 1 2.13 0.02 . 2 . . . . 69 GLU HB3 . 16599 1 479 . 1 1 69 69 GLU C C 13 179.5 0.3 . 1 . . . . 69 GLU C . 16599 1 480 . 1 1 69 69 GLU CA C 13 59.2 0.3 . 1 . . . . 69 GLU CA . 16599 1 481 . 1 1 69 69 GLU CB C 13 29.1 0.3 . 1 . . . . 69 GLU CB . 16599 1 482 . 1 1 69 69 GLU N N 15 118 0.2 . 1 . . . . 69 GLU N . 16599 1 483 . 1 1 70 70 ALA H H 1 7.75 0.02 . 1 . . . . 70 ALA H . 16599 1 484 . 1 1 70 70 ALA HA H 1 4.04 0.02 . 1 . . . . 70 ALA HA . 16599 1 485 . 1 1 70 70 ALA HB1 H 1 1.33 0.02 . 1 . . . . 70 ALA HB . 16599 1 486 . 1 1 70 70 ALA HB2 H 1 1.33 0.02 . 1 . . . . 70 ALA HB . 16599 1 487 . 1 1 70 70 ALA HB3 H 1 1.33 0.02 . 1 . . . . 70 ALA HB . 16599 1 488 . 1 1 70 70 ALA C C 13 180.5 0.3 . 1 . . . . 70 ALA C . 16599 1 489 . 1 1 70 70 ALA CA C 13 54.9 0.3 . 1 . . . . 70 ALA CA . 16599 1 490 . 1 1 70 70 ALA CB C 13 17.7 0.3 . 1 . . . . 70 ALA CB . 16599 1 491 . 1 1 70 70 ALA N N 15 122.1 0.2 . 1 . . . . 70 ALA N . 16599 1 492 . 1 1 71 71 VAL H H 1 8.05 0.02 . 1 . . . . 71 VAL H . 16599 1 493 . 1 1 71 71 VAL HA H 1 4.07 0.02 . 1 . . . . 71 VAL HA . 16599 1 494 . 1 1 71 71 VAL HB H 1 1.71 0.02 . 1 . . . . 71 VAL HB . 16599 1 495 . 1 1 71 71 VAL C C 13 177.5 0.3 . 1 . . . . 71 VAL C . 16599 1 496 . 1 1 71 71 VAL CA C 13 66.4 0.3 . 1 . . . . 71 VAL CA . 16599 1 497 . 1 1 71 71 VAL CB C 13 31.6 0.3 . 1 . . . . 71 VAL CB . 16599 1 498 . 1 1 71 71 VAL N N 15 121.3 0.2 . 1 . . . . 71 VAL N . 16599 1 499 . 1 1 72 72 GLU H H 1 9.03 0.02 . 1 . . . . 72 GLU H . 16599 1 500 . 1 1 72 72 GLU HA H 1 3.62 0.02 . 1 . . . . 72 GLU HA . 16599 1 501 . 1 1 72 72 GLU HB2 H 1 1.96 0.02 . 2 . . . . 72 GLU HB2 . 16599 1 502 . 1 1 72 72 GLU HB3 H 1 2.27 0.02 . 2 . . . . 72 GLU HB3 . 16599 1 503 . 1 1 72 72 GLU C C 13 177.6 0.3 . 1 . . . . 72 GLU C . 16599 1 504 . 1 1 72 72 GLU CA C 13 60.6 0.3 . 1 . . . . 72 GLU CA . 16599 1 505 . 1 1 72 72 GLU CB C 13 30.7 0.3 . 1 . . . . 72 GLU CB . 16599 1 506 . 1 1 72 72 GLU N N 15 119.9 0.2 . 1 . . . . 72 GLU N . 16599 1 507 . 1 1 73 73 ALA H H 1 7.98 0.02 . 1 . . . . 73 ALA H . 16599 1 508 . 1 1 73 73 ALA HA H 1 3.92 0.02 . 1 . . . . 73 ALA HA . 16599 1 509 . 1 1 73 73 ALA HB1 H 1 1.44 0.02 . 1 . . . . 73 ALA HB . 16599 1 510 . 1 1 73 73 ALA HB2 H 1 1.44 0.02 . 1 . . . . 73 ALA HB . 16599 1 511 . 1 1 73 73 ALA HB3 H 1 1.44 0.02 . 1 . . . . 73 ALA HB . 16599 1 512 . 1 1 73 73 ALA C C 13 179.8 0.3 . 1 . . . . 73 ALA C . 16599 1 513 . 1 1 73 73 ALA CA C 13 55.2 0.3 . 1 . . . . 73 ALA CA . 16599 1 514 . 1 1 73 73 ALA CB C 13 18.3 0.3 . 1 . . . . 73 ALA CB . 16599 1 515 . 1 1 73 73 ALA N N 15 118.4 0.2 . 1 . . . . 73 ALA N . 16599 1 516 . 1 1 74 74 PHE H H 1 7.43 0.02 . 1 . . . . 74 PHE H . 16599 1 517 . 1 1 74 74 PHE HA H 1 3.57 0.02 . 1 . . . . 74 PHE HA . 16599 1 518 . 1 1 74 74 PHE HB2 H 1 2.49 0.02 . 2 . . . . 74 PHE HB2 . 16599 1 519 . 1 1 74 74 PHE C C 13 175.2 0.3 . 1 . . . . 74 PHE C . 16599 1 520 . 1 1 74 74 PHE CA C 13 62.3 0.3 . 1 . . . . 74 PHE CA . 16599 1 521 . 1 1 74 74 PHE CB C 13 40.2 0.3 . 1 . . . . 74 PHE CB . 16599 1 522 . 1 1 74 74 PHE N N 15 118.4 0.2 . 1 . . . . 74 PHE N . 16599 1 523 . 1 1 75 75 PHE H H 1 8.14 0.02 . 1 . . . . 75 PHE H . 16599 1 524 . 1 1 75 75 PHE HA H 1 3.92 0.02 . 1 . . . . 75 PHE HA . 16599 1 525 . 1 1 75 75 PHE HB2 H 1 2.62 0.02 . 2 . . . . 75 PHE HB2 . 16599 1 526 . 1 1 75 75 PHE HB3 H 1 2.85 0.02 . 2 . . . . 75 PHE HB3 . 16599 1 527 . 1 1 75 75 PHE C C 13 179.3 0.3 . 1 . . . . 75 PHE C . 16599 1 528 . 1 1 75 75 PHE CA C 13 61.8 0.3 . 1 . . . . 75 PHE CA . 16599 1 529 . 1 1 75 75 PHE CB C 13 38.4 0.3 . 1 . . . . 75 PHE CB . 16599 1 530 . 1 1 75 75 PHE N N 15 111.2 0.2 . 1 . . . . 75 PHE N . 16599 1 531 . 1 1 76 76 LYS H H 1 9.06 0.02 . 1 . . . . 76 LYS H . 16599 1 532 . 1 1 76 76 LYS HA H 1 4.67 0.02 . 1 . . . . 76 LYS HA . 16599 1 533 . 1 1 76 76 LYS HB2 H 1 1.83 0.02 . 2 . . . . 76 LYS HB2 . 16599 1 534 . 1 1 76 76 LYS C C 13 181.5 0.3 . 1 . . . . 76 LYS C . 16599 1 535 . 1 1 76 76 LYS CA C 13 59.5 0.3 . 1 . . . . 76 LYS CA . 16599 1 536 . 1 1 76 76 LYS CB C 13 32 0.3 . 1 . . . . 76 LYS CB . 16599 1 537 . 1 1 76 76 LYS N N 15 122 0.2 . 1 . . . . 76 LYS N . 16599 1 538 . 1 1 77 77 LYS H H 1 7.13 0.02 . 1 . . . . 77 LYS H . 16599 1 539 . 1 1 77 77 LYS HA H 1 3.92 0.02 . 1 . . . . 77 LYS HA . 16599 1 540 . 1 1 77 77 LYS C C 13 176.6 0.3 . 1 . . . . 77 LYS C . 16599 1 541 . 1 1 77 77 LYS CA C 13 56.6 0.3 . 1 . . . . 77 LYS CA . 16599 1 542 . 1 1 77 77 LYS CB C 13 29.5 0.3 . 1 . . . . 77 LYS CB . 16599 1 543 . 1 1 77 77 LYS N N 15 121.6 0.2 . 1 . . . . 77 LYS N . 16599 1 544 . 1 1 78 78 ILE H H 1 6.3 0.02 . 1 . . . . 78 ILE H . 16599 1 545 . 1 1 78 78 ILE HA H 1 3.16 0.02 . 1 . . . . 78 ILE HA . 16599 1 546 . 1 1 78 78 ILE HB H 1 1.57 0.02 . 1 . . . . 78 ILE HB . 16599 1 547 . 1 1 78 78 ILE C C 13 174.8 0.3 . 1 . . . . 78 ILE C . 16599 1 548 . 1 1 78 78 ILE CA C 13 62.5 0.3 . 1 . . . . 78 ILE CA . 16599 1 549 . 1 1 78 78 ILE CB C 13 39 0.3 . 1 . . . . 78 ILE CB . 16599 1 550 . 1 1 78 78 ILE N N 15 116.9 0.2 . 1 . . . . 78 ILE N . 16599 1 551 . 1 1 79 79 GLY H H 1 7.29 0.02 . 1 . . . . 79 GLY H . 16599 1 552 . 1 1 79 79 GLY HA2 H 1 3.57 0.02 . 2 . . . . 79 GLY HA2 . 16599 1 553 . 1 1 79 79 GLY HA3 H 1 4.33 0.02 . 2 . . . . 79 GLY HA3 . 16599 1 554 . 1 1 79 79 GLY C C 13 174.4 0.3 . 1 . . . . 79 GLY C . 16599 1 555 . 1 1 79 79 GLY CA C 13 44 0.3 . 1 . . . . 79 GLY CA . 16599 1 556 . 1 1 79 79 GLY N N 15 104.4 0.2 . 1 . . . . 79 GLY N . 16599 1 557 . 1 1 80 80 LEU H H 1 7.79 0.02 . 1 . . . . 80 LEU H . 16599 1 558 . 1 1 80 80 LEU HA H 1 4.42 0.02 . 1 . . . . 80 LEU HA . 16599 1 559 . 1 1 80 80 LEU C C 13 174.9 0.3 . 1 . . . . 80 LEU C . 16599 1 560 . 1 1 80 80 LEU CA C 13 56.3 0.3 . 1 . . . . 80 LEU CA . 16599 1 561 . 1 1 80 80 LEU CB C 13 42.9 0.3 . 1 . . . . 80 LEU CB . 16599 1 562 . 1 1 80 80 LEU N N 15 121.1 0.2 . 1 . . . . 80 LEU N . 16599 1 563 . 1 1 81 81 ASP H H 1 8.07 0.02 . 1 . . . . 81 ASP H . 16599 1 564 . 1 1 81 81 ASP HA H 1 4.63 0.02 . 1 . . . . 81 ASP HA . 16599 1 565 . 1 1 81 81 ASP HB2 H 1 2.49 0.02 . 2 . . . . 81 ASP HB2 . 16599 1 566 . 1 1 81 81 ASP C C 13 176.4 0.3 . 1 . . . . 81 ASP C . 16599 1 567 . 1 1 81 81 ASP CA C 13 52.7 0.3 . 1 . . . . 81 ASP CA . 16599 1 568 . 1 1 81 81 ASP CB C 13 44 0.3 . 1 . . . . 81 ASP CB . 16599 1 569 . 1 1 81 81 ASP N N 15 115 0.2 . 1 . . . . 81 ASP N . 16599 1 570 . 1 1 82 82 TYR H H 1 9.24 0.02 . 1 . . . . 82 TYR H . 16599 1 571 . 1 1 82 82 TYR HA H 1 4.47 0.02 . 1 . . . . 82 TYR HA . 16599 1 572 . 1 1 82 82 TYR HB2 H 1 2.62 0.02 . 2 . . . . 82 TYR HB2 . 16599 1 573 . 1 1 82 82 TYR HB3 H 1 3.15 0.02 . 2 . . . . 82 TYR HB3 . 16599 1 574 . 1 1 82 82 TYR C C 13 178.2 0.3 . 1 . . . . 82 TYR C . 16599 1 575 . 1 1 82 82 TYR CA C 13 60.4 0.3 . 1 . . . . 82 TYR CA . 16599 1 576 . 1 1 82 82 TYR CB C 13 37.6 0.3 . 1 . . . . 82 TYR CB . 16599 1 577 . 1 1 82 82 TYR N N 15 125.2 0.2 . 1 . . . . 82 TYR N . 16599 1 578 . 1 1 83 83 GLY H H 1 11.12 0.02 . 1 . . . . 83 GLY H . 16599 1 579 . 1 1 83 83 GLY HA2 H 1 3.88 0.02 . 2 . . . . 83 GLY HA2 . 16599 1 580 . 1 1 83 83 GLY HA3 H 1 4.12 0.02 . 2 . . . . 83 GLY HA3 . 16599 1 581 . 1 1 83 83 GLY C C 13 173.1 0.3 . 1 . . . . 83 GLY C . 16599 1 582 . 1 1 83 83 GLY CA C 13 45.9 0.3 . 1 . . . . 83 GLY CA . 16599 1 583 . 1 1 83 83 GLY N N 15 115.1 0.2 . 1 . . . . 83 GLY N . 16599 1 584 . 1 1 84 84 LYS H H 1 7.54 0.02 . 1 . . . . 84 LYS H . 16599 1 585 . 1 1 84 84 LYS HA H 1 4.68 0.02 . 1 . . . . 84 LYS HA . 16599 1 586 . 1 1 84 84 LYS HB2 H 1 1.71 0.02 . 2 . . . . 84 LYS HB2 . 16599 1 587 . 1 1 84 84 LYS C C 13 175.4 0.3 . 1 . . . . 84 LYS C . 16599 1 588 . 1 1 84 84 LYS CA C 13 54.2 0.3 . 1 . . . . 84 LYS CA . 16599 1 589 . 1 1 84 84 LYS CB C 13 35.5 0.3 . 1 . . . . 84 LYS CB . 16599 1 590 . 1 1 84 84 LYS N N 15 120.3 0.2 . 1 . . . . 84 LYS N . 16599 1 591 . 1 1 85 85 GLU H H 1 9 0.02 . 1 . . . . 85 GLU H . 16599 1 592 . 1 1 85 85 GLU HA H 1 4.45 0.02 . 1 . . . . 85 GLU HA . 16599 1 593 . 1 1 85 85 GLU HB2 H 1 1.66 0.02 . 2 . . . . 85 GLU HB2 . 16599 1 594 . 1 1 85 85 GLU C C 13 176.2 0.3 . 1 . . . . 85 GLU C . 16599 1 595 . 1 1 85 85 GLU CA C 13 55.5 0.3 . 1 . . . . 85 GLU CA . 16599 1 596 . 1 1 85 85 GLU CB C 13 31.1 0.3 . 1 . . . . 85 GLU CB . 16599 1 597 . 1 1 85 85 GLU N N 15 125.7 0.2 . 1 . . . . 85 GLU N . 16599 1 598 . 1 1 86 86 VAL H H 1 8.96 0.02 . 1 . . . . 86 VAL H . 16599 1 599 . 1 1 86 86 VAL HA H 1 4.55 0.02 . 1 . . . . 86 VAL HA . 16599 1 600 . 1 1 86 86 VAL HB H 1 2.09 0.02 . 1 . . . . 86 VAL HB . 16599 1 601 . 1 1 86 86 VAL C C 13 174.9 0.3 . 1 . . . . 86 VAL C . 16599 1 602 . 1 1 86 86 VAL CA C 13 62.3 0.3 . 1 . . . . 86 VAL CA . 16599 1 603 . 1 1 86 86 VAL CB C 13 34.6 0.3 . 1 . . . . 86 VAL CB . 16599 1 604 . 1 1 86 86 VAL N N 15 124.8 0.2 . 1 . . . . 86 VAL N . 16599 1 605 . 1 1 87 87 GLU H H 1 8.74 0.02 . 1 . . . . 87 GLU H . 16599 1 606 . 1 1 87 87 GLU HA H 1 5.23 0.02 . 1 . . . . 87 GLU HA . 16599 1 607 . 1 1 87 87 GLU C C 13 176.3 0.3 . 1 . . . . 87 GLU C . 16599 1 608 . 1 1 87 87 GLU CA C 13 55.3 0.3 . 1 . . . . 87 GLU CA . 16599 1 609 . 1 1 87 87 GLU CB C 13 32.7 0.3 . 1 . . . . 87 GLU CB . 16599 1 610 . 1 1 87 87 GLU N N 15 125 0.2 . 1 . . . . 87 GLU N . 16599 1 611 . 1 1 88 88 PHE H H 1 8.97 0.02 . 1 . . . . 88 PHE H . 16599 1 612 . 1 1 88 88 PHE C C 13 172.6 0.3 . 1 . . . . 88 PHE C . 16599 1 613 . 1 1 88 88 PHE CA C 13 63.5 0.3 . 1 . . . . 88 PHE CA . 16599 1 614 . 1 1 88 88 PHE CB C 13 36.4 0.3 . 1 . . . . 88 PHE CB . 16599 1 615 . 1 1 88 88 PHE N N 15 119.8 0.2 . 1 . . . . 88 PHE N . 16599 1 616 . 1 1 89 89 PRO HA H 1 3.96 0.02 . 1 . . . . 89 PRO HA . 16599 1 617 . 1 1 89 89 PRO C C 13 179.4 0.3 . 1 . . . . 89 PRO C . 16599 1 618 . 1 1 89 89 PRO CA C 13 66.7 0.3 . 1 . . . . 89 PRO CA . 16599 1 619 . 1 1 89 89 PRO CB C 13 30.3 0.3 . 1 . . . . 89 PRO CB . 16599 1 620 . 1 1 90 90 ALA H H 1 7.49 0.02 . 1 . . . . 90 ALA H . 16599 1 621 . 1 1 90 90 ALA HA H 1 4.25 0.02 . 1 . . . . 90 ALA HA . 16599 1 622 . 1 1 90 90 ALA HB1 H 1 1.58 0.02 . 1 . . . . 90 ALA HB . 16599 1 623 . 1 1 90 90 ALA HB2 H 1 1.58 0.02 . 1 . . . . 90 ALA HB . 16599 1 624 . 1 1 90 90 ALA HB3 H 1 1.58 0.02 . 1 . . . . 90 ALA HB . 16599 1 625 . 1 1 90 90 ALA C C 13 180.8 0.3 . 1 . . . . 90 ALA C . 16599 1 626 . 1 1 90 90 ALA CA C 13 54.5 0.3 . 1 . . . . 90 ALA CA . 16599 1 627 . 1 1 90 90 ALA CB C 13 18.9 0.3 . 1 . . . . 90 ALA CB . 16599 1 628 . 1 1 90 90 ALA N N 15 118.6 0.2 . 1 . . . . 90 ALA N . 16599 1 629 . 1 1 91 91 PHE H H 1 8.25 0.02 . 1 . . . . 91 PHE H . 16599 1 630 . 1 1 91 91 PHE HA H 1 4.2 0.02 . 1 . . . . 91 PHE HA . 16599 1 631 . 1 1 91 91 PHE HB2 H 1 3.57 0.02 . 2 . . . . 91 PHE HB2 . 16599 1 632 . 1 1 91 91 PHE HB3 H 1 3.09 0.02 . 2 . . . . 91 PHE HB3 . 16599 1 633 . 1 1 91 91 PHE C C 13 176.5 0.3 . 1 . . . . 91 PHE C . 16599 1 634 . 1 1 91 91 PHE CA C 13 61.2 0.3 . 1 . . . . 91 PHE CA . 16599 1 635 . 1 1 91 91 PHE CB C 13 40.4 0.3 . 1 . . . . 91 PHE CB . 16599 1 636 . 1 1 91 91 PHE N N 15 123.8 0.2 . 1 . . . . 91 PHE N . 16599 1 637 . 1 1 92 92 VAL H H 1 8.57 0.02 . 1 . . . . 92 VAL H . 16599 1 638 . 1 1 92 92 VAL HA H 1 3.67 0.02 . 1 . . . . 92 VAL HA . 16599 1 639 . 1 1 92 92 VAL HB H 1 1.53 0.02 . 1 . . . . 92 VAL HB . 16599 1 640 . 1 1 92 92 VAL C C 13 177.3 0.3 . 1 . . . . 92 VAL C . 16599 1 641 . 1 1 92 92 VAL CA C 13 66.1 0.3 . 1 . . . . 92 VAL CA . 16599 1 642 . 1 1 92 92 VAL CB C 13 31.3 0.3 . 1 . . . . 92 VAL CB . 16599 1 643 . 1 1 92 92 VAL N N 15 119.3 0.2 . 1 . . . . 92 VAL N . 16599 1 644 . 1 1 93 93 ASN H H 1 7.52 0.02 . 1 . . . . 93 ASN H . 16599 1 645 . 1 1 93 93 ASN HA H 1 4.38 0.02 . 1 . . . . 93 ASN HA . 16599 1 646 . 1 1 93 93 ASN HB2 H 1 2.81 0.02 . 2 . . . . 93 ASN HB2 . 16599 1 647 . 1 1 93 93 ASN HD21 H 1 7.69 0.02 . 2 . . . . 93 ASN HD21 . 16599 1 648 . 1 1 93 93 ASN HD22 H 1 6.9 0.02 . 2 . . . . 93 ASN HD22 . 16599 1 649 . 1 1 93 93 ASN C C 13 178.8 0.3 . 1 . . . . 93 ASN C . 16599 1 650 . 1 1 93 93 ASN CA C 13 56.7 0.3 . 1 . . . . 93 ASN CA . 16599 1 651 . 1 1 93 93 ASN CB C 13 38.1 0.3 . 1 . . . . 93 ASN CB . 16599 1 652 . 1 1 93 93 ASN N N 15 119.3 0.2 . 1 . . . . 93 ASN N . 16599 1 653 . 1 1 93 93 ASN ND2 N 15 112.7 0.2 . 1 . . . . 93 ASN ND2 . 16599 1 654 . 1 1 94 94 GLY H H 1 8.31 0.02 . 1 . . . . 94 GLY H . 16599 1 655 . 1 1 94 94 GLY HA2 H 1 3.74 0.02 . 2 . . . . 94 GLY HA2 . 16599 1 656 . 1 1 94 94 GLY HA3 H 1 4.74 0.02 . 2 . . . . 94 GLY HA3 . 16599 1 657 . 1 1 94 94 GLY C C 13 176.9 0.3 . 1 . . . . 94 GLY C . 16599 1 658 . 1 1 94 94 GLY CA C 13 47.4 0.3 . 1 . . . . 94 GLY CA . 16599 1 659 . 1 1 94 94 GLY N N 15 110.3 0.2 . 1 . . . . 94 GLY N . 16599 1 660 . 1 1 95 95 TRP H H 1 7.97 0.02 . 1 . . . . 95 TRP H . 16599 1 661 . 1 1 95 95 TRP HA H 1 3.7 0.02 . 1 . . . . 95 TRP HA . 16599 1 662 . 1 1 95 95 TRP C C 13 178.6 0.3 . 1 . . . . 95 TRP C . 16599 1 663 . 1 1 95 95 TRP CA C 13 62.8 0.3 . 1 . . . . 95 TRP CA . 16599 1 664 . 1 1 95 95 TRP CB C 13 28.8 0.3 . 1 . . . . 95 TRP CB . 16599 1 665 . 1 1 95 95 TRP N N 15 123.1 0.2 . 1 . . . . 95 TRP N . 16599 1 666 . 1 1 96 96 LYS H H 1 7.5 0.02 . 1 . . . . 96 LYS H . 16599 1 667 . 1 1 96 96 LYS HA H 1 3.35 0.02 . 1 . . . . 96 LYS HA . 16599 1 668 . 1 1 96 96 LYS HB2 H 1 1.87 0.02 . 2 . . . . 96 LYS HB2 . 16599 1 669 . 1 1 96 96 LYS C C 13 178.7 0.3 . 1 . . . . 96 LYS C . 16599 1 670 . 1 1 96 96 LYS CA C 13 59.2 0.3 . 1 . . . . 96 LYS CA . 16599 1 671 . 1 1 96 96 LYS CB C 13 32.3 0.3 . 1 . . . . 96 LYS CB . 16599 1 672 . 1 1 96 96 LYS N N 15 117.7 0.2 . 1 . . . . 96 LYS N . 16599 1 673 . 1 1 97 97 GLU H H 1 6.94 0.02 . 1 . . . . 97 GLU H . 16599 1 674 . 1 1 97 97 GLU HA H 1 3.92 0.02 . 1 . . . . 97 GLU HA . 16599 1 675 . 1 1 97 97 GLU C C 13 180 0.3 . 1 . . . . 97 GLU C . 16599 1 676 . 1 1 97 97 GLU CA C 13 58.5 0.3 . 1 . . . . 97 GLU CA . 16599 1 677 . 1 1 97 97 GLU CB C 13 28.8 0.3 . 1 . . . . 97 GLU CB . 16599 1 678 . 1 1 97 97 GLU N N 15 116.6 0.2 . 1 . . . . 97 GLU N . 16599 1 679 . 1 1 98 98 LEU H H 1 8.32 0.02 . 1 . . . . 98 LEU H . 16599 1 680 . 1 1 98 98 LEU HA H 1 3.64 0.02 . 1 . . . . 98 LEU HA . 16599 1 681 . 1 1 98 98 LEU C C 13 176.6 0.3 . 1 . . . . 98 LEU C . 16599 1 682 . 1 1 98 98 LEU CA C 13 58.3 0.3 . 1 . . . . 98 LEU CA . 16599 1 683 . 1 1 98 98 LEU CB C 13 41.6 0.3 . 1 . . . . 98 LEU CB . 16599 1 684 . 1 1 98 98 LEU N N 15 122.9 0.2 . 1 . . . . 98 LEU N . 16599 1 685 . 1 1 99 99 ALA H H 1 8.58 0.02 . 1 . . . . 99 ALA H . 16599 1 686 . 1 1 99 99 ALA HA H 1 2.6 0.02 . 1 . . . . 99 ALA HA . 16599 1 687 . 1 1 99 99 ALA HB1 H 1 1.73 0.02 . 1 . . . . 99 ALA HB . 16599 1 688 . 1 1 99 99 ALA HB2 H 1 1.73 0.02 . 1 . . . . 99 ALA HB . 16599 1 689 . 1 1 99 99 ALA HB3 H 1 1.73 0.02 . 1 . . . . 99 ALA HB . 16599 1 690 . 1 1 99 99 ALA C C 13 178.9 0.3 . 1 . . . . 99 ALA C . 16599 1 691 . 1 1 99 99 ALA CA C 13 55 0.3 . 1 . . . . 99 ALA CA . 16599 1 692 . 1 1 99 99 ALA CB C 13 18.5 0.3 . 1 . . . . 99 ALA CB . 16599 1 693 . 1 1 99 99 ALA N N 15 120.6 0.2 . 1 . . . . 99 ALA N . 16599 1 694 . 1 1 100 100 LYS H H 1 7.68 0.02 . 1 . . . . 100 LYS H . 16599 1 695 . 1 1 100 100 LYS HA H 1 3.92 0.02 . 1 . . . . 100 LYS HA . 16599 1 696 . 1 1 100 100 LYS HB2 H 1 1.91 0.02 . 2 . . . . 100 LYS HB2 . 16599 1 697 . 1 1 100 100 LYS C C 13 179.3 0.3 . 1 . . . . 100 LYS C . 16599 1 698 . 1 1 100 100 LYS CA C 13 60.3 0.3 . 1 . . . . 100 LYS CA . 16599 1 699 . 1 1 100 100 LYS CB C 13 32.5 0.3 . 1 . . . . 100 LYS CB . 16599 1 700 . 1 1 100 100 LYS N N 15 114 0.2 . 1 . . . . 100 LYS N . 16599 1 701 . 1 1 101 101 HIS H H 1 7.78 0.02 . 1 . . . . 101 HIS H . 16599 1 702 . 1 1 101 101 HIS HA H 1 4.22 0.02 . 1 . . . . 101 HIS HA . 16599 1 703 . 1 1 101 101 HIS C C 13 177.4 0.3 . 1 . . . . 101 HIS C . 16599 1 704 . 1 1 101 101 HIS CA C 13 59.6 0.3 . 1 . . . . 101 HIS CA . 16599 1 705 . 1 1 101 101 HIS CB C 13 32 0.3 . 1 . . . . 101 HIS CB . 16599 1 706 . 1 1 101 101 HIS N N 15 119.4 0.2 . 1 . . . . 101 HIS N . 16599 1 707 . 1 1 102 102 ASP H H 1 9.14 0.02 . 1 . . . . 102 ASP H . 16599 1 708 . 1 1 102 102 ASP HA H 1 4.85 0.02 . 1 . . . . 102 ASP HA . 16599 1 709 . 1 1 102 102 ASP C C 13 180.2 0.3 . 1 . . . . 102 ASP C . 16599 1 710 . 1 1 102 102 ASP CA C 13 57.1 0.3 . 1 . . . . 102 ASP CA . 16599 1 711 . 1 1 102 102 ASP CB C 13 42.4 0.3 . 1 . . . . 102 ASP CB . 16599 1 712 . 1 1 102 102 ASP N N 15 120.7 0.2 . 1 . . . . 102 ASP N . 16599 1 713 . 1 1 103 103 LEU H H 1 8.76 0.02 . 1 . . . . 103 LEU H . 16599 1 714 . 1 1 103 103 LEU HA H 1 4.25 0.02 . 1 . . . . 103 LEU HA . 16599 1 715 . 1 1 103 103 LEU C C 13 180.1 0.3 . 1 . . . . 103 LEU C . 16599 1 716 . 1 1 103 103 LEU CA C 13 58.5 0.3 . 1 . . . . 103 LEU CA . 16599 1 717 . 1 1 103 103 LEU CB C 13 41.4 0.3 . 1 . . . . 103 LEU CB . 16599 1 718 . 1 1 103 103 LEU N N 15 119.5 0.2 . 1 . . . . 103 LEU N . 16599 1 719 . 1 1 104 104 LYS H H 1 7.43 0.02 . 1 . . . . 104 LYS H . 16599 1 720 . 1 1 104 104 LYS HA H 1 4.09 0.02 . 1 . . . . 104 LYS HA . 16599 1 721 . 1 1 104 104 LYS HB2 H 1 1.88 0.02 . 2 . . . . 104 LYS HB2 . 16599 1 722 . 1 1 104 104 LYS HB3 H 1 2.01 0.02 . 2 . . . . 104 LYS HB3 . 16599 1 723 . 1 1 104 104 LYS C C 13 179.7 0.3 . 1 . . . . 104 LYS C . 16599 1 724 . 1 1 104 104 LYS CA C 13 59.3 0.3 . 1 . . . . 104 LYS CA . 16599 1 725 . 1 1 104 104 LYS CB C 13 31.3 0.3 . 1 . . . . 104 LYS CB . 16599 1 726 . 1 1 104 104 LYS N N 15 120.3 0.2 . 1 . . . . 104 LYS N . 16599 1 727 . 1 1 105 105 LEU H H 1 7.69 0.02 . 1 . . . . 105 LEU H . 16599 1 728 . 1 1 105 105 LEU HA H 1 3.9 0.02 . 1 . . . . 105 LEU HA . 16599 1 729 . 1 1 105 105 LEU C C 13 179.5 0.3 . 1 . . . . 105 LEU C . 16599 1 730 . 1 1 105 105 LEU CA C 13 59 0.3 . 1 . . . . 105 LEU CA . 16599 1 731 . 1 1 105 105 LEU CB C 13 40.9 0.3 . 1 . . . . 105 LEU CB . 16599 1 732 . 1 1 105 105 LEU N N 15 120.2 0.2 . 1 . . . . 105 LEU N . 16599 1 733 . 1 1 106 106 TRP H H 1 9.2 0.02 . 1 . . . . 106 TRP H . 16599 1 734 . 1 1 106 106 TRP HA H 1 4.35 0.02 . 1 . . . . 106 TRP HA . 16599 1 735 . 1 1 106 106 TRP C C 13 181.2 0.3 . 1 . . . . 106 TRP C . 16599 1 736 . 1 1 106 106 TRP CA C 13 62.1 0.3 . 1 . . . . 106 TRP CA . 16599 1 737 . 1 1 106 106 TRP CB C 13 28.7 0.3 . 1 . . . . 106 TRP CB . 16599 1 738 . 1 1 106 106 TRP N N 15 120.6 0.2 . 1 . . . . 106 TRP N . 16599 1 739 . 1 1 107 107 SER H H 1 8.51 0.02 . 1 . . . . 107 SER H . 16599 1 740 . 1 1 107 107 SER HA H 1 4.09 0.02 . 1 . . . . 107 SER HA . 16599 1 741 . 1 1 107 107 SER HB2 H 1 4.23 0.02 . 2 . . . . 107 SER HB2 . 16599 1 742 . 1 1 107 107 SER C C 13 174.5 0.3 . 1 . . . . 107 SER C . 16599 1 743 . 1 1 107 107 SER CA C 13 61.6 0.3 . 1 . . . . 107 SER CA . 16599 1 744 . 1 1 107 107 SER CB C 13 63.2 0.3 . 1 . . . . 107 SER CB . 16599 1 745 . 1 1 107 107 SER N N 15 115.6 0.2 . 1 . . . . 107 SER N . 16599 1 746 . 1 1 108 108 GLN H H 1 7.48 0.02 . 1 . . . . 108 GLN H . 16599 1 747 . 1 1 108 108 GLN HA H 1 4.38 0.02 . 1 . . . . 108 GLN HA . 16599 1 748 . 1 1 108 108 GLN HE21 H 1 7.29 0.02 . 1 . . . . 108 GLN HE21 . 16599 1 749 . 1 1 108 108 GLN C C 13 175 0.3 . 1 . . . . 108 GLN C . 16599 1 750 . 1 1 108 108 GLN CA C 13 55.2 0.3 . 1 . . . . 108 GLN CA . 16599 1 751 . 1 1 108 108 GLN CB C 13 29.5 0.3 . 1 . . . . 108 GLN CB . 16599 1 752 . 1 1 108 108 GLN CG C 13 34.1 0.3 . 1 . . . . 108 GLN CG . 16599 1 753 . 1 1 108 108 GLN N N 15 119.9 0.2 . 1 . . . . 108 GLN N . 16599 1 754 . 1 1 108 108 GLN NE2 N 15 110.3 0.2 . 1 . . . . 108 GLN NE2 . 16599 1 755 . 1 1 109 109 ASN H H 1 8.06 0.02 . 1 . . . . 109 ASN H . 16599 1 756 . 1 1 109 109 ASN HA H 1 4.22 0.02 . 1 . . . . 109 ASN HA . 16599 1 757 . 1 1 109 109 ASN HB2 H 1 2.72 0.02 . 2 . . . . 109 ASN HB2 . 16599 1 758 . 1 1 109 109 ASN HB3 H 1 3.03 0.02 . 2 . . . . 109 ASN HB3 . 16599 1 759 . 1 1 109 109 ASN HD21 H 1 7.45 0.02 . 2 . . . . 109 ASN HD21 . 16599 1 760 . 1 1 109 109 ASN HD22 H 1 6.77 0.02 . 2 . . . . 109 ASN HD22 . 16599 1 761 . 1 1 109 109 ASN C C 13 174.4 0.3 . 1 . . . . 109 ASN C . 16599 1 762 . 1 1 109 109 ASN CA C 13 54 0.3 . 1 . . . . 109 ASN CA . 16599 1 763 . 1 1 109 109 ASN CB C 13 36.7 0.3 . 1 . . . . 109 ASN CB . 16599 1 764 . 1 1 109 109 ASN N N 15 115.6 0.2 . 1 . . . . 109 ASN N . 16599 1 765 . 1 1 109 109 ASN ND2 N 15 112.7 0.2 . 1 . . . . 109 ASN ND2 . 16599 1 766 . 1 1 110 110 LYS H H 1 7.95 0.02 . 1 . . . . 110 LYS H . 16599 1 767 . 1 1 110 110 LYS HA H 1 4.53 0.02 . 1 . . . . 110 LYS HA . 16599 1 768 . 1 1 110 110 LYS C C 13 176.3 0.3 . 1 . . . . 110 LYS C . 16599 1 769 . 1 1 110 110 LYS CA C 13 54.2 0.3 . 1 . . . . 110 LYS CA . 16599 1 770 . 1 1 110 110 LYS CB C 13 35.5 0.3 . 1 . . . . 110 LYS CB . 16599 1 771 . 1 1 110 110 LYS N N 15 117.5 0.2 . 1 . . . . 110 LYS N . 16599 1 772 . 1 1 111 111 LYS H H 1 8.46 0.02 . 1 . . . . 111 LYS H . 16599 1 773 . 1 1 111 111 LYS HA H 1 4.01 0.02 . 1 . . . . 111 LYS HA . 16599 1 774 . 1 1 111 111 LYS HB2 H 1 1.88 0.02 . 2 . . . . 111 LYS HB2 . 16599 1 775 . 1 1 111 111 LYS C C 13 175.2 0.3 . 1 . . . . 111 LYS C . 16599 1 776 . 1 1 111 111 LYS CA C 13 58.5 0.3 . 1 . . . . 111 LYS CA . 16599 1 777 . 1 1 111 111 LYS CB C 13 31.5 0.3 . 1 . . . . 111 LYS CB . 16599 1 778 . 1 1 111 111 LYS N N 15 120.6 0.2 . 1 . . . . 111 LYS N . 16599 1 779 . 1 1 112 112 SER H H 1 7.56 0.02 . 1 . . . . 112 SER H . 16599 1 780 . 1 1 112 112 SER CA C 13 56.8 0.3 . 1 . . . . 112 SER CA . 16599 1 781 . 1 1 112 112 SER CB C 13 65.8 0.3 . 1 . . . . 112 SER CB . 16599 1 782 . 1 1 112 112 SER N N 15 120.1 0.2 . 1 . . . . 112 SER N . 16599 1 783 . 1 1 113 113 LEU HA H 1 4.33 0.02 . 1 . . . . 113 LEU HA . 16599 1 784 . 1 1 113 113 LEU C C 13 172.1 0.3 . 1 . . . . 113 LEU C . 16599 1 785 . 1 1 113 113 LEU CA C 13 59.1 0.3 . 1 . . . . 113 LEU CA . 16599 1 786 . 1 1 113 113 LEU CB C 13 40.5 0.3 . 1 . . . . 113 LEU CB . 16599 1 787 . 1 1 114 114 ILE H H 1 10.28 0.02 . 1 . . . . 114 ILE H . 16599 1 788 . 1 1 114 114 ILE HA H 1 4.84 0.02 . 1 . . . . 114 ILE HA . 16599 1 789 . 1 1 114 114 ILE C C 13 179.6 0.3 . 1 . . . . 114 ILE C . 16599 1 790 . 1 1 114 114 ILE CA C 13 61.8 0.3 . 1 . . . . 114 ILE CA . 16599 1 791 . 1 1 114 114 ILE CB C 13 37.6 0.3 . 1 . . . . 114 ILE CB . 16599 1 792 . 1 1 114 114 ILE N N 15 121.3 0.2 . 1 . . . . 114 ILE N . 16599 1 793 . 1 1 115 115 ARG H H 1 7.92 0.02 . 1 . . . . 115 ARG H . 16599 1 794 . 1 1 115 115 ARG HA H 1 4.18 0.02 . 1 . . . . 115 ARG HA . 16599 1 795 . 1 1 115 115 ARG C C 13 176.5 0.3 . 1 . . . . 115 ARG C . 16599 1 796 . 1 1 115 115 ARG CA C 13 59.2 0.3 . 1 . . . . 115 ARG CA . 16599 1 797 . 1 1 115 115 ARG CB C 13 29.7 0.3 . 1 . . . . 115 ARG CB . 16599 1 798 . 1 1 115 115 ARG N N 15 130.1 0.2 . 1 . . . . 115 ARG N . 16599 1 799 . 1 1 116 116 ASN H H 1 8.73 0.02 . 1 . . . . 116 ASN H . 16599 1 800 . 1 1 116 116 ASN HA H 1 4.44 0.02 . 1 . . . . 116 ASN HA . 16599 1 801 . 1 1 116 116 ASN HB2 H 1 2.92 0.02 . 2 . . . . 116 ASN HB2 . 16599 1 802 . 1 1 116 116 ASN HD21 H 1 7.92 0.02 . 2 . . . . 116 ASN HD21 . 16599 1 803 . 1 1 116 116 ASN HD22 H 1 6.88 0.02 . 2 . . . . 116 ASN HD22 . 16599 1 804 . 1 1 116 116 ASN C C 13 178.1 0.3 . 1 . . . . 116 ASN C . 16599 1 805 . 1 1 116 116 ASN CA C 13 56.4 0.3 . 1 . . . . 116 ASN CA . 16599 1 806 . 1 1 116 116 ASN CB C 13 38.1 0.3 . 1 . . . . 116 ASN CB . 16599 1 807 . 1 1 116 116 ASN N N 15 119.1 0.2 . 1 . . . . 116 ASN N . 16599 1 808 . 1 1 116 116 ASN ND2 N 15 110.9 0.2 . 1 . . . . 116 ASN ND2 . 16599 1 809 . 1 1 117 117 TRP H H 1 8.17 0.02 . 1 . . . . 117 TRP H . 16599 1 810 . 1 1 117 117 TRP HA H 1 4.52 0.02 . 1 . . . . 117 TRP HA . 16599 1 811 . 1 1 117 117 TRP HB2 H 1 2.77 0.02 . 2 . . . . 117 TRP HB2 . 16599 1 812 . 1 1 117 117 TRP HB3 H 1 3.19 0.02 . 2 . . . . 117 TRP HB3 . 16599 1 813 . 1 1 117 117 TRP C C 13 176.7 0.3 . 1 . . . . 117 TRP C . 16599 1 814 . 1 1 117 117 TRP CA C 13 58.1 0.3 . 1 . . . . 117 TRP CA . 16599 1 815 . 1 1 117 117 TRP CB C 13 29.4 0.3 . 1 . . . . 117 TRP CB . 16599 1 816 . 1 1 117 117 TRP N N 15 119.7 0.2 . 1 . . . . 117 TRP N . 16599 1 817 . 1 1 118 118 GLY H H 1 7.57 0.02 . 1 . . . . 118 GLY H . 16599 1 818 . 1 1 118 118 GLY HA2 H 1 3.42 0.02 . 2 . . . . 118 GLY HA2 . 16599 1 819 . 1 1 118 118 GLY C C 13 175 0.3 . 1 . . . . 118 GLY C . 16599 1 820 . 1 1 118 118 GLY CA C 13 47.3 0.3 . 1 . . . . 118 GLY CA . 16599 1 821 . 1 1 118 118 GLY N N 15 106 0.2 . 1 . . . . 118 GLY N . 16599 1 822 . 1 1 119 119 GLU H H 1 8.71 0.02 . 1 . . . . 119 GLU H . 16599 1 823 . 1 1 119 119 GLU HA H 1 3.8 0.02 . 1 . . . . 119 GLU HA . 16599 1 824 . 1 1 119 119 GLU C C 13 178.7 0.3 . 1 . . . . 119 GLU C . 16599 1 825 . 1 1 119 119 GLU CA C 13 59.5 0.3 . 1 . . . . 119 GLU CA . 16599 1 826 . 1 1 119 119 GLU CB C 13 29.7 0.3 . 1 . . . . 119 GLU CB . 16599 1 827 . 1 1 119 119 GLU N N 15 119.1 0.2 . 1 . . . . 119 GLU N . 16599 1 828 . 1 1 120 120 ALA H H 1 7.52 0.02 . 1 . . . . 120 ALA H . 16599 1 829 . 1 1 120 120 ALA HA H 1 4.18 0.02 . 1 . . . . 120 ALA HA . 16599 1 830 . 1 1 120 120 ALA HB1 H 1 1.69 0.02 . 1 . . . . 120 ALA HB . 16599 1 831 . 1 1 120 120 ALA HB2 H 1 1.69 0.02 . 1 . . . . 120 ALA HB . 16599 1 832 . 1 1 120 120 ALA HB3 H 1 1.69 0.02 . 1 . . . . 120 ALA HB . 16599 1 833 . 1 1 120 120 ALA C C 13 179.8 0.3 . 1 . . . . 120 ALA C . 16599 1 834 . 1 1 120 120 ALA CA C 13 54.9 0.3 . 1 . . . . 120 ALA CA . 16599 1 835 . 1 1 120 120 ALA CB C 13 18.8 0.3 . 1 . . . . 120 ALA CB . 16599 1 836 . 1 1 120 120 ALA N N 15 119.1 0.2 . 1 . . . . 120 ALA N . 16599 1 837 . 1 1 121 121 VAL H H 1 8.03 0.02 . 1 . . . . 121 VAL H . 16599 1 838 . 1 1 121 121 VAL HA H 1 3.75 0.02 . 1 . . . . 121 VAL HA . 16599 1 839 . 1 1 121 121 VAL C C 13 177.6 0.3 . 1 . . . . 121 VAL C . 16599 1 840 . 1 1 121 121 VAL CA C 13 66.4 0.3 . 1 . . . . 121 VAL CA . 16599 1 841 . 1 1 121 121 VAL CB C 13 32.2 0.3 . 1 . . . . 121 VAL CB . 16599 1 842 . 1 1 121 121 VAL N N 15 117.7 0.2 . 1 . . . . 121 VAL N . 16599 1 843 . 1 1 122 122 PHE H H 1 9.15 0.02 . 1 . . . . 122 PHE H . 16599 1 844 . 1 1 122 122 PHE HA H 1 4.25 0.02 . 1 . . . . 122 PHE HA . 16599 1 845 . 1 1 122 122 PHE C C 13 179 0.3 . 1 . . . . 122 PHE C . 16599 1 846 . 1 1 122 122 PHE CA C 13 61.1 0.3 . 1 . . . . 122 PHE CA . 16599 1 847 . 1 1 122 122 PHE CB C 13 37 0.3 . 1 . . . . 122 PHE CB . 16599 1 848 . 1 1 122 122 PHE N N 15 118.5 0.2 . 1 . . . . 122 PHE N . 16599 1 849 . 1 1 123 123 ASP H H 1 8.19 0.02 . 1 . . . . 123 ASP H . 16599 1 850 . 1 1 123 123 ASP HA H 1 4.63 0.02 . 1 . . . . 123 ASP HA . 16599 1 851 . 1 1 123 123 ASP HB2 H 1 2.54 0.02 . 2 . . . . 123 ASP HB2 . 16599 1 852 . 1 1 123 123 ASP HB3 H 1 2.97 0.02 . 2 . . . . 123 ASP HB3 . 16599 1 853 . 1 1 123 123 ASP CA C 13 57.4 0.3 . 1 . . . . 123 ASP CA . 16599 1 854 . 1 1 123 123 ASP CB C 13 42.1 0.3 . 1 . . . . 123 ASP CB . 16599 1 855 . 1 1 123 123 ASP N N 15 116.7 0.2 . 1 . . . . 123 ASP N . 16599 1 856 . 1 1 124 124 ILE H H 1 7.24 0.02 . 1 . . . . 124 ILE H . 16599 1 857 . 1 1 124 124 ILE HA H 1 3.37 0.02 . 1 . . . . 124 ILE HA . 16599 1 858 . 1 1 124 124 ILE HB H 1 1.65 0.02 . 1 . . . . 124 ILE HB . 16599 1 859 . 1 1 124 124 ILE C C 13 176.9 0.3 . 1 . . . . 124 ILE C . 16599 1 860 . 1 1 124 124 ILE CA C 13 64.7 0.3 . 1 . . . . 124 ILE CA . 16599 1 861 . 1 1 124 124 ILE CB C 13 37.9 0.3 . 1 . . . . 124 ILE CB . 16599 1 862 . 1 1 124 124 ILE N N 15 115.9 0.2 . 1 . . . . 124 ILE N . 16599 1 863 . 1 1 125 125 PHE H H 1 7.01 0.02 . 1 . . . . 125 PHE H . 16599 1 864 . 1 1 125 125 PHE HA H 1 4.43 0.02 . 1 . . . . 125 PHE HA . 16599 1 865 . 1 1 125 125 PHE C C 13 176.2 0.3 . 1 . . . . 125 PHE C . 16599 1 866 . 1 1 125 125 PHE CA C 13 59.1 0.3 . 1 . . . . 125 PHE CA . 16599 1 867 . 1 1 125 125 PHE CB C 13 41.4 0.3 . 1 . . . . 125 PHE CB . 16599 1 868 . 1 1 125 125 PHE N N 15 115.7 0.2 . 1 . . . . 125 PHE N . 16599 1 869 . 1 1 126 126 ASP H H 1 7.98 0.02 . 1 . . . . 126 ASP H . 16599 1 870 . 1 1 126 126 ASP HA H 1 4.93 0.02 . 1 . . . . 126 ASP HA . 16599 1 871 . 1 1 126 126 ASP HB2 H 1 2.92 0.02 . 2 . . . . 126 ASP HB2 . 16599 1 872 . 1 1 126 126 ASP HB3 H 1 3.03 0.02 . 2 . . . . 126 ASP HB3 . 16599 1 873 . 1 1 126 126 ASP C C 13 177.2 0.3 . 1 . . . . 126 ASP C . 16599 1 874 . 1 1 126 126 ASP CA C 13 54.6 0.3 . 1 . . . . 126 ASP CA . 16599 1 875 . 1 1 126 126 ASP CB C 13 41.2 0.3 . 1 . . . . 126 ASP CB . 16599 1 876 . 1 1 126 126 ASP N N 15 118.2 0.2 . 1 . . . . 126 ASP N . 16599 1 877 . 1 1 127 127 LYS H H 1 8.94 0.02 . 1 . . . . 127 LYS H . 16599 1 878 . 1 1 127 127 LYS HA H 1 4.48 0.02 . 1 . . . . 127 LYS HA . 16599 1 879 . 1 1 127 127 LYS HB2 H 1 2.02 0.02 . 2 . . . . 127 LYS HB2 . 16599 1 880 . 1 1 127 127 LYS HB3 H 1 1.87 0.02 . 2 . . . . 127 LYS HB3 . 16599 1 881 . 1 1 127 127 LYS C C 13 177.8 0.3 . 1 . . . . 127 LYS C . 16599 1 882 . 1 1 127 127 LYS CA C 13 57 0.3 . 1 . . . . 127 LYS CA . 16599 1 883 . 1 1 127 127 LYS CB C 13 32.8 0.3 . 1 . . . . 127 LYS CB . 16599 1 884 . 1 1 127 127 LYS N N 15 126.6 0.2 . 1 . . . . 127 LYS N . 16599 1 885 . 1 1 128 128 ASP H H 1 8.59 0.02 . 1 . . . . 128 ASP H . 16599 1 886 . 1 1 128 128 ASP HA H 1 4.83 0.02 . 1 . . . . 128 ASP HA . 16599 1 887 . 1 1 128 128 ASP HB2 H 1 2.71 0.02 . 2 . . . . 128 ASP HB2 . 16599 1 888 . 1 1 128 128 ASP HB3 H 1 2.97 0.02 . 2 . . . . 128 ASP HB3 . 16599 1 889 . 1 1 128 128 ASP C C 13 177.1 0.3 . 1 . . . . 128 ASP C . 16599 1 890 . 1 1 128 128 ASP CA C 13 53.7 0.3 . 1 . . . . 128 ASP CA . 16599 1 891 . 1 1 128 128 ASP CB C 13 41.5 0.3 . 1 . . . . 128 ASP CB . 16599 1 892 . 1 1 128 128 ASP N N 15 118.1 0.2 . 1 . . . . 128 ASP N . 16599 1 893 . 1 1 129 129 GLY H H 1 8.57 0.02 . 1 . . . . 129 GLY H . 16599 1 894 . 1 1 129 129 GLY HA2 H 1 4.05 0.02 . 2 . . . . 129 GLY HA2 . 16599 1 895 . 1 1 129 129 GLY C C 13 175.7 0.3 . 1 . . . . 129 GLY C . 16599 1 896 . 1 1 129 129 GLY CA C 13 46.5 0.3 . 1 . . . . 129 GLY CA . 16599 1 897 . 1 1 129 129 GLY N N 15 111.6 0.2 . 1 . . . . 129 GLY N . 16599 1 898 . 1 1 130 130 SER H H 1 9.1 0.02 . 1 . . . . 130 SER H . 16599 1 899 . 1 1 130 130 SER HA H 1 4.35 0.02 . 1 . . . . 130 SER HA . 16599 1 900 . 1 1 130 130 SER HB2 H 1 3.92 0.02 . 2 . . . . 130 SER HB2 . 16599 1 901 . 1 1 130 130 SER HB3 H 1 4.05 0.02 . 2 . . . . 130 SER HB3 . 16599 1 902 . 1 1 130 130 SER C C 13 176.5 0.3 . 1 . . . . 130 SER C . 16599 1 903 . 1 1 130 130 SER CA C 13 59.9 0.3 . 1 . . . . 130 SER CA . 16599 1 904 . 1 1 130 130 SER CB C 13 64.4 0.3 . 1 . . . . 130 SER CB . 16599 1 905 . 1 1 130 130 SER N N 15 117.8 0.2 . 1 . . . . 130 SER N . 16599 1 906 . 1 1 131 131 GLY H H 1 9.97 0.02 . 1 . . . . 131 GLY H . 16599 1 907 . 1 1 131 131 GLY HA2 H 1 3.86 0.02 . 2 . . . . 131 GLY HA2 . 16599 1 908 . 1 1 131 131 GLY HA3 H 1 4.11 0.02 . 2 . . . . 131 GLY HA3 . 16599 1 909 . 1 1 131 131 GLY C C 13 172.8 0.3 . 1 . . . . 131 GLY C . 16599 1 910 . 1 1 131 131 GLY CA C 13 46.5 0.3 . 1 . . . . 131 GLY CA . 16599 1 911 . 1 1 131 131 GLY N N 15 115 0.2 . 1 . . . . 131 GLY N . 16599 1 912 . 1 1 132 132 SER H H 1 7.85 0.02 . 1 . . . . 132 SER H . 16599 1 913 . 1 1 132 132 SER HA H 1 5.66 0.02 . 1 . . . . 132 SER HA . 16599 1 914 . 1 1 132 132 SER HB2 H 1 3.65 0.02 . 2 . . . . 132 SER HB2 . 16599 1 915 . 1 1 132 132 SER HB3 H 1 3.52 0.02 . 2 . . . . 132 SER HB3 . 16599 1 916 . 1 1 132 132 SER C C 13 173.2 0.3 . 1 . . . . 132 SER C . 16599 1 917 . 1 1 132 132 SER CA C 13 56.4 0.3 . 1 . . . . 132 SER CA . 16599 1 918 . 1 1 132 132 SER CB C 13 66.8 0.3 . 1 . . . . 132 SER CB . 16599 1 919 . 1 1 132 132 SER N N 15 112.3 0.2 . 1 . . . . 132 SER N . 16599 1 920 . 1 1 133 133 ILE H H 1 8.73 0.02 . 1 . . . . 133 ILE H . 16599 1 921 . 1 1 133 133 ILE HA H 1 5 0.02 . 1 . . . . 133 ILE HA . 16599 1 922 . 1 1 133 133 ILE HB H 1 1.86 0.02 . 1 . . . . 133 ILE HB . 16599 1 923 . 1 1 133 133 ILE C C 13 174.6 0.3 . 1 . . . . 133 ILE C . 16599 1 924 . 1 1 133 133 ILE CA C 13 59.2 0.3 . 1 . . . . 133 ILE CA . 16599 1 925 . 1 1 133 133 ILE CB C 13 42.1 0.3 . 1 . . . . 133 ILE CB . 16599 1 926 . 1 1 133 133 ILE N N 15 113 0.2 . 1 . . . . 133 ILE N . 16599 1 927 . 1 1 134 134 SER H H 1 9.16 0.02 . 1 . . . . 134 SER H . 16599 1 928 . 1 1 134 134 SER HA H 1 4.9 0.02 . 1 . . . . 134 SER HA . 16599 1 929 . 1 1 134 134 SER C C 13 174.8 0.3 . 1 . . . . 134 SER C . 16599 1 930 . 1 1 134 134 SER CA C 13 56 0.3 . 1 . . . . 134 SER CA . 16599 1 931 . 1 1 134 134 SER CB C 13 66.7 0.3 . 1 . . . . 134 SER CB . 16599 1 932 . 1 1 134 134 SER N N 15 118.6 0.2 . 1 . . . . 134 SER N . 16599 1 933 . 1 1 135 135 LEU H H 1 8.75 0.02 . 1 . . . . 135 LEU H . 16599 1 934 . 1 1 135 135 LEU HA H 1 2.96 0.02 . 1 . . . . 135 LEU HA . 16599 1 935 . 1 1 135 135 LEU HB2 H 1 1.48 0.02 . 2 . . . . 135 LEU HB2 . 16599 1 936 . 1 1 135 135 LEU HB3 H 1 0.74 0.02 . 2 . . . . 135 LEU HB3 . 16599 1 937 . 1 1 135 135 LEU C C 13 178.1 0.3 . 1 . . . . 135 LEU C . 16599 1 938 . 1 1 135 135 LEU CA C 13 57.9 0.3 . 1 . . . . 135 LEU CA . 16599 1 939 . 1 1 135 135 LEU CB C 13 40.5 0.3 . 1 . . . . 135 LEU CB . 16599 1 940 . 1 1 135 135 LEU N N 15 123.2 0.2 . 1 . . . . 135 LEU N . 16599 1 941 . 1 1 136 136 ASP H H 1 8.14 0.02 . 1 . . . . 136 ASP H . 16599 1 942 . 1 1 136 136 ASP HA H 1 4.23 0.02 . 1 . . . . 136 ASP HA . 16599 1 943 . 1 1 136 136 ASP HB2 H 1 2.62 0.02 . 2 . . . . 136 ASP HB2 . 16599 1 944 . 1 1 136 136 ASP C C 13 179.1 0.3 . 1 . . . . 136 ASP C . 16599 1 945 . 1 1 136 136 ASP CA C 13 57.5 0.3 . 1 . . . . 136 ASP CA . 16599 1 946 . 1 1 136 136 ASP CB C 13 40.4 0.3 . 1 . . . . 136 ASP CB . 16599 1 947 . 1 1 136 136 ASP N N 15 117 0.2 . 1 . . . . 136 ASP N . 16599 1 948 . 1 1 137 137 GLU H H 1 7.41 0.02 . 1 . . . . 137 GLU H . 16599 1 949 . 1 1 137 137 GLU HA H 1 3.75 0.02 . 1 . . . . 137 GLU HA . 16599 1 950 . 1 1 137 137 GLU C C 13 177.4 0.3 . 1 . . . . 137 GLU C . 16599 1 951 . 1 1 137 137 GLU CA C 13 59.2 0.3 . 1 . . . . 137 GLU CA . 16599 1 952 . 1 1 137 137 GLU CB C 13 28 0.3 . 1 . . . . 137 GLU CB . 16599 1 953 . 1 1 137 137 GLU N N 15 122.4 0.2 . 1 . . . . 137 GLU N . 16599 1 954 . 1 1 138 138 TRP H H 1 8.43 0.02 . 1 . . . . 138 TRP H . 16599 1 955 . 1 1 138 138 TRP HA H 1 4.62 0.02 . 1 . . . . 138 TRP HA . 16599 1 956 . 1 1 138 138 TRP C C 13 178.1 0.3 . 1 . . . . 138 TRP C . 16599 1 957 . 1 1 138 138 TRP CA C 13 59.2 0.3 . 1 . . . . 138 TRP CA . 16599 1 958 . 1 1 138 138 TRP CB C 13 31.3 0.3 . 1 . . . . 138 TRP CB . 16599 1 959 . 1 1 138 138 TRP N N 15 121.4 0.2 . 1 . . . . 138 TRP N . 16599 1 960 . 1 1 139 139 LYS H H 1 8.9 0.02 . 1 . . . . 139 LYS H . 16599 1 961 . 1 1 139 139 LYS HA H 1 3.62 0.02 . 1 . . . . 139 LYS HA . 16599 1 962 . 1 1 139 139 LYS C C 13 180.5 0.3 . 1 . . . . 139 LYS C . 16599 1 963 . 1 1 139 139 LYS CA C 13 59.6 0.3 . 1 . . . . 139 LYS CA . 16599 1 964 . 1 1 139 139 LYS CB C 13 32.5 0.3 . 1 . . . . 139 LYS CB . 16599 1 965 . 1 1 139 139 LYS N N 15 117.9 0.2 . 1 . . . . 139 LYS N . 16599 1 966 . 1 1 140 140 THR H H 1 7.83 0.02 . 1 . . . . 140 THR H . 16599 1 967 . 1 1 140 140 THR HA H 1 3.95 0.02 . 1 . . . . 140 THR HA . 16599 1 968 . 1 1 140 140 THR HB H 1 4.58 0.02 . 1 . . . . 140 THR HB . 16599 1 969 . 1 1 140 140 THR C C 13 179.1 0.3 . 1 . . . . 140 THR C . 16599 1 970 . 1 1 140 140 THR CA C 13 66.8 0.3 . 1 . . . . 140 THR CA . 16599 1 971 . 1 1 140 140 THR CB C 13 68.1 0.3 . 1 . . . . 140 THR CB . 16599 1 972 . 1 1 140 140 THR N N 15 118 0.2 . 1 . . . . 140 THR N . 16599 1 973 . 1 1 141 141 TYR H H 1 8.7 0.02 . 1 . . . . 141 TYR H . 16599 1 974 . 1 1 141 141 TYR HA H 1 3.92 0.02 . 1 . . . . 141 TYR HA . 16599 1 975 . 1 1 141 141 TYR C C 13 179.2 0.3 . 1 . . . . 141 TYR C . 16599 1 976 . 1 1 141 141 TYR CA C 13 63.5 0.3 . 1 . . . . 141 TYR CA . 16599 1 977 . 1 1 141 141 TYR CB C 13 38.1 0.3 . 1 . . . . 141 TYR CB . 16599 1 978 . 1 1 141 141 TYR N N 15 122 0.2 . 1 . . . . 141 TYR N . 16599 1 979 . 1 1 142 142 GLY H H 1 9.52 0.02 . 1 . . . . 142 GLY H . 16599 1 980 . 1 1 142 142 GLY HA2 H 1 2.79 0.02 . 2 . . . . 142 GLY HA2 . 16599 1 981 . 1 1 142 142 GLY HA3 H 1 3.42 0.02 . 2 . . . . 142 GLY HA3 . 16599 1 982 . 1 1 142 142 GLY C C 13 175.7 0.3 . 1 . . . . 142 GLY C . 16599 1 983 . 1 1 142 142 GLY CA C 13 47.6 0.3 . 1 . . . . 142 GLY CA . 16599 1 984 . 1 1 142 142 GLY N N 15 110.9 0.2 . 1 . . . . 142 GLY N . 16599 1 985 . 1 1 143 143 GLY H H 1 7.87 0.02 . 1 . . . . 143 GLY H . 16599 1 986 . 1 1 143 143 GLY HA2 H 1 3.94 0.02 . 2 . . . . 143 GLY HA2 . 16599 1 987 . 1 1 143 143 GLY HA3 H 1 3.74 0.02 . 2 . . . . 143 GLY HA3 . 16599 1 988 . 1 1 143 143 GLY C C 13 175.6 0.3 . 1 . . . . 143 GLY C . 16599 1 989 . 1 1 143 143 GLY CA C 13 46.2 0.3 . 1 . . . . 143 GLY CA . 16599 1 990 . 1 1 143 143 GLY N N 15 106.8 0.2 . 1 . . . . 143 GLY N . 16599 1 991 . 1 1 144 144 ILE H H 1 7.95 0.02 . 1 . . . . 144 ILE H . 16599 1 992 . 1 1 144 144 ILE HA H 1 3.89 0.02 . 1 . . . . 144 ILE HA . 16599 1 993 . 1 1 144 144 ILE HB H 1 1.79 0.02 . 1 . . . . 144 ILE HB . 16599 1 994 . 1 1 144 144 ILE C C 13 178.5 0.3 . 1 . . . . 144 ILE C . 16599 1 995 . 1 1 144 144 ILE CA C 13 63.3 0.3 . 1 . . . . 144 ILE CA . 16599 1 996 . 1 1 144 144 ILE CB C 13 38.1 0.3 . 1 . . . . 144 ILE CB . 16599 1 997 . 1 1 144 144 ILE N N 15 122.1 0.2 . 1 . . . . 144 ILE N . 16599 1 998 . 1 1 145 145 SER H H 1 8.5 0.02 . 1 . . . . 145 SER H . 16599 1 999 . 1 1 145 145 SER HA H 1 3.87 0.02 . 1 . . . . 145 SER HA . 16599 1 1000 . 1 1 145 145 SER C C 13 174.6 0.3 . 1 . . . . 145 SER C . 16599 1 1001 . 1 1 145 145 SER CA C 13 60.8 0.3 . 1 . . . . 145 SER CA . 16599 1 1002 . 1 1 145 145 SER CB C 13 64.4 0.3 . 1 . . . . 145 SER CB . 16599 1 1003 . 1 1 145 145 SER N N 15 113.7 0.2 . 1 . . . . 145 SER N . 16599 1 1004 . 1 1 146 146 GLY H H 1 6.73 0.02 . 1 . . . . 146 GLY H . 16599 1 1005 . 1 1 146 146 GLY HA2 H 1 3.55 0.02 . 2 . . . . 146 GLY HA2 . 16599 1 1006 . 1 1 146 146 GLY HA3 H 1 4.47 0.02 . 2 . . . . 146 GLY HA3 . 16599 1 1007 . 1 1 146 146 GLY C C 13 173 0.3 . 1 . . . . 146 GLY C . 16599 1 1008 . 1 1 146 146 GLY CA C 13 45.7 0.3 . 1 . . . . 146 GLY CA . 16599 1 1009 . 1 1 146 146 GLY N N 15 109.9 0.2 . 1 . . . . 146 GLY N . 16599 1 1010 . 1 1 147 147 ILE H H 1 7.48 0.02 . 1 . . . . 147 ILE H . 16599 1 1011 . 1 1 147 147 ILE HA H 1 3.82 0.02 . 1 . . . . 147 ILE HA . 16599 1 1012 . 1 1 147 147 ILE HB H 1 1.25 0.02 . 1 . . . . 147 ILE HB . 16599 1 1013 . 1 1 147 147 ILE C C 13 171.9 0.3 . 1 . . . . 147 ILE C . 16599 1 1014 . 1 1 147 147 ILE CA C 13 62.9 0.3 . 1 . . . . 147 ILE CA . 16599 1 1015 . 1 1 147 147 ILE CB C 13 41.6 0.3 . 1 . . . . 147 ILE CB . 16599 1 1016 . 1 1 147 147 ILE N N 15 118.9 0.2 . 1 . . . . 147 ILE N . 16599 1 1017 . 1 1 148 148 CYS H H 1 7.06 0.02 . 1 . . . . 148 CYS H . 16599 1 1018 . 1 1 148 148 CYS HA H 1 4.35 0.02 . 1 . . . . 148 CYS HA . 16599 1 1019 . 1 1 148 148 CYS CA C 13 57.5 0.3 . 1 . . . . 148 CYS CA . 16599 1 1020 . 1 1 148 148 CYS CB C 13 26.5 0.3 . 1 . . . . 148 CYS CB . 16599 1 1021 . 1 1 148 148 CYS N N 15 115.9 0.2 . 1 . . . . 148 CYS N . 16599 1 1022 . 1 1 149 149 PRO HA H 1 3.91 0.02 . 1 . . . . 149 PRO HA . 16599 1 1023 . 1 1 149 149 PRO HB2 H 1 2.01 0.02 . 2 . . . . 149 PRO HB2 . 16599 1 1024 . 1 1 149 149 PRO HB3 H 1 1.67 0.02 . 2 . . . . 149 PRO HB3 . 16599 1 1025 . 1 1 149 149 PRO C C 13 175.3 0.3 . 1 . . . . 149 PRO C . 16599 1 1026 . 1 1 149 149 PRO CB C 13 31.9 0.3 . 1 . . . . 149 PRO CB . 16599 1 1027 . 1 1 149 149 PRO CA C 13 65 0.3 . 1 . . . . 149 PRO CA . 16599 1 1028 . 1 1 150 150 SER H H 1 7.48 0.02 . 1 . . . . 150 SER H . 16599 1 1029 . 1 1 150 150 SER HA H 1 4.85 0.02 . 1 . . . . 150 SER HA . 16599 1 1030 . 1 1 150 150 SER HB2 H 1 3.87 0.02 . 2 . . . . 150 SER HB2 . 16599 1 1031 . 1 1 150 150 SER HB3 H 1 4.13 0.02 . 2 . . . . 150 SER HB3 . 16599 1 1032 . 1 1 150 150 SER C C 13 174.1 0.3 . 1 . . . . 150 SER C . 16599 1 1033 . 1 1 150 150 SER CA C 13 56.4 0.3 . 1 . . . . 150 SER CA . 16599 1 1034 . 1 1 150 150 SER CB C 13 66.5 0.3 . 1 . . . . 150 SER CB . 16599 1 1035 . 1 1 150 150 SER N N 15 113.5 0.2 . 1 . . . . 150 SER N . 16599 1 1036 . 1 1 151 151 ASP H H 1 8.88 0.02 . 1 . . . . 151 ASP H . 16599 1 1037 . 1 1 151 151 ASP HA H 1 4.09 0.02 . 1 . . . . 151 ASP HA . 16599 1 1038 . 1 1 151 151 ASP HB2 H 1 2.61 0.02 . 2 . . . . 151 ASP HB2 . 16599 1 1039 . 1 1 151 151 ASP C C 13 177.7 0.3 . 1 . . . . 151 ASP C . 16599 1 1040 . 1 1 151 151 ASP CA C 13 57.7 0.3 . 1 . . . . 151 ASP CA . 16599 1 1041 . 1 1 151 151 ASP CB C 13 40.5 0.3 . 1 . . . . 151 ASP CB . 16599 1 1042 . 1 1 151 151 ASP N N 15 124 0.2 . 1 . . . . 151 ASP N . 16599 1 1043 . 1 1 152 152 GLU H H 1 8.58 0.02 . 1 . . . . 152 GLU H . 16599 1 1044 . 1 1 152 152 GLU HA H 1 3.97 0.02 . 1 . . . . 152 GLU HA . 16599 1 1045 . 1 1 152 152 GLU HB2 H 1 1.88 0.02 . 2 . . . . 152 GLU HB2 . 16599 1 1046 . 1 1 152 152 GLU HB3 H 1 2.03 0.02 . 2 . . . . 152 GLU HB3 . 16599 1 1047 . 1 1 152 152 GLU C C 13 179.3 0.3 . 1 . . . . 152 GLU C . 16599 1 1048 . 1 1 152 152 GLU CA C 13 59.5 0.3 . 1 . . . . 152 GLU CA . 16599 1 1049 . 1 1 152 152 GLU CB C 13 29.4 0.3 . 1 . . . . 152 GLU CB . 16599 1 1050 . 1 1 152 152 GLU N N 15 117 0.2 . 1 . . . . 152 GLU N . 16599 1 1051 . 1 1 153 153 ASP H H 1 7.53 0.02 . 1 . . . . 153 ASP H . 16599 1 1052 . 1 1 153 153 ASP HA H 1 4.62 0.02 . 1 . . . . 153 ASP HA . 16599 1 1053 . 1 1 153 153 ASP HB2 H 1 2.47 0.02 . 2 . . . . 153 ASP HB2 . 16599 1 1054 . 1 1 153 153 ASP HB3 H 1 2.79 0.02 . 2 . . . . 153 ASP HB3 . 16599 1 1055 . 1 1 153 153 ASP C C 13 176.4 0.3 . 1 . . . . 153 ASP C . 16599 1 1056 . 1 1 153 153 ASP CA C 13 58.2 0.3 . 1 . . . . 153 ASP CA . 16599 1 1057 . 1 1 153 153 ASP CB C 13 41.6 0.3 . 1 . . . . 153 ASP CB . 16599 1 1058 . 1 1 153 153 ASP N N 15 118.8 0.2 . 1 . . . . 153 ASP N . 16599 1 1059 . 1 1 154 154 ALA H H 1 7.57 0.02 . 1 . . . . 154 ALA H . 16599 1 1060 . 1 1 154 154 ALA HA H 1 4.4 0.02 . 1 . . . . 154 ALA HA . 16599 1 1061 . 1 1 154 154 ALA HB1 H 1 1.4 0.02 . 1 . . . . 154 ALA HB . 16599 1 1062 . 1 1 154 154 ALA HB2 H 1 1.4 0.02 . 1 . . . . 154 ALA HB . 16599 1 1063 . 1 1 154 154 ALA HB3 H 1 1.4 0.02 . 1 . . . . 154 ALA HB . 16599 1 1064 . 1 1 154 154 ALA C C 13 179.8 0.3 . 1 . . . . 154 ALA C . 16599 1 1065 . 1 1 154 154 ALA CA C 13 55.5 0.3 . 1 . . . . 154 ALA CA . 16599 1 1066 . 1 1 154 154 ALA CB C 13 19.6 0.3 . 1 . . . . 154 ALA CB . 16599 1 1067 . 1 1 154 154 ALA N N 15 121.8 0.2 . 1 . . . . 154 ALA N . 16599 1 1068 . 1 1 155 155 GLU H H 1 8.29 0.02 . 1 . . . . 155 GLU H . 16599 1 1069 . 1 1 155 155 GLU HA H 1 3.98 0.02 . 1 . . . . 155 GLU HA . 16599 1 1070 . 1 1 155 155 GLU HB2 H 1 2.14 0.02 . 2 . . . . 155 GLU HB2 . 16599 1 1071 . 1 1 155 155 GLU HB3 H 1 2.03 0.02 . 2 . . . . 155 GLU HB3 . 16599 1 1072 . 1 1 155 155 GLU C C 13 180.5 0.3 . 1 . . . . 155 GLU C . 16599 1 1073 . 1 1 155 155 GLU CA C 13 59.2 0.3 . 1 . . . . 155 GLU CA . 16599 1 1074 . 1 1 155 155 GLU CB C 13 29 0.3 . 1 . . . . 155 GLU CB . 16599 1 1075 . 1 1 155 155 GLU N N 15 114.8 0.2 . 1 . . . . 155 GLU N . 16599 1 1076 . 1 1 156 156 LYS H H 1 7.79 0.02 . 1 . . . . 156 LYS H . 16599 1 1077 . 1 1 156 156 LYS HA H 1 4 0.02 . 1 . . . . 156 LYS HA . 16599 1 1078 . 1 1 156 156 LYS C C 13 179.9 0.3 . 1 . . . . 156 LYS C . 16599 1 1079 . 1 1 156 156 LYS CA C 13 60.8 0.3 . 1 . . . . 156 LYS CA . 16599 1 1080 . 1 1 156 156 LYS CB C 13 31.4 0.3 . 1 . . . . 156 LYS CB . 16599 1 1081 . 1 1 156 156 LYS N N 15 120.8 0.2 . 1 . . . . 156 LYS N . 16599 1 1082 . 1 1 157 157 THR H H 1 8.35 0.02 . 1 . . . . 157 THR H . 16599 1 1083 . 1 1 157 157 THR HA H 1 3.95 0.02 . 1 . . . . 157 THR HA . 16599 1 1084 . 1 1 157 157 THR C C 13 176.6 0.3 . 1 . . . . 157 THR C . 16599 1 1085 . 1 1 157 157 THR CA C 13 66.9 0.3 . 1 . . . . 157 THR CA . 16599 1 1086 . 1 1 157 157 THR CB C 13 69 0.3 . 1 . . . . 157 THR CB . 16599 1 1087 . 1 1 157 157 THR N N 15 119.6 0.2 . 1 . . . . 157 THR N . 16599 1 1088 . 1 1 158 158 PHE H H 1 7.38 0.02 . 1 . . . . 158 PHE H . 16599 1 1089 . 1 1 158 158 PHE HA H 1 3.75 0.02 . 1 . . . . 158 PHE HA . 16599 1 1090 . 1 1 158 158 PHE CA C 13 62.8 0.3 . 1 . . . . 158 PHE CA . 16599 1 1091 . 1 1 158 158 PHE CB C 13 38.8 0.3 . 1 . . . . 158 PHE CB . 16599 1 1092 . 1 1 158 158 PHE C C 13 176.8 0.3 . 1 . . . . 158 PHE C . 16599 1 1093 . 1 1 158 158 PHE N N 15 122.2 0.2 . 1 . . . . 158 PHE N . 16599 1 1094 . 1 1 165 165 ASN HD21 H 1 7.63 0.02 . 2 . . . . 165 ASN HD21 . 16599 1 1095 . 1 1 165 165 ASN HD22 H 1 6.95 0.02 . 2 . . . . 165 ASN HD22 . 16599 1 1096 . 1 1 165 165 ASN CA C 13 55.8 0.3 . 1 . . . . 165 ASN CA . 16599 1 1097 . 1 1 165 165 ASN CB C 13 37.8 0.3 . 1 . . . . 165 ASN CB . 16599 1 1098 . 1 1 165 165 ASN ND2 N 15 112.2 0.2 . 1 . . . . 165 ASN ND2 . 16599 1 1099 . 1 1 166 166 SER H H 1 8.67 0.02 . 1 . . . . 166 SER H . 16599 1 1100 . 1 1 166 166 SER HA H 1 4.65 0.02 . 1 . . . . 166 SER HA . 16599 1 1101 . 1 1 166 166 SER HB2 H 1 4.02 0.02 . 2 . . . . 166 SER HB2 . 16599 1 1102 . 1 1 166 166 SER C C 13 174.6 0.3 . 1 . . . . 166 SER C . 16599 1 1103 . 1 1 166 166 SER CA C 13 58.2 0.3 . 1 . . . . 166 SER CA . 16599 1 1104 . 1 1 166 166 SER CB C 13 64.2 0.3 . 1 . . . . 166 SER CB . 16599 1 1105 . 1 1 166 166 SER N N 15 115.8 0.2 . 1 . . . . 166 SER N . 16599 1 1106 . 1 1 167 167 GLY H H 1 8.39 0.02 . 1 . . . . 167 GLY H . 16599 1 1107 . 1 1 167 167 GLY HA2 H 1 3.95 0.02 . 2 . . . . 167 GLY HA2 . 16599 1 1108 . 1 1 167 167 GLY C C 13 173.5 0.3 . 1 . . . . 167 GLY C . 16599 1 1109 . 1 1 167 167 GLY CA C 13 45.8 0.3 . 1 . . . . 167 GLY CA . 16599 1 1110 . 1 1 167 167 GLY N N 15 111.1 0.2 . 1 . . . . 167 GLY N . 16599 1 1111 . 1 1 168 168 LYS H H 1 8.28 0.02 . 1 . . . . 168 LYS H . 16599 1 1112 . 1 1 168 168 LYS C C 13 173.7 0.3 . 1 . . . . 168 LYS C . 16599 1 1113 . 1 1 168 168 LYS CA C 13 55.6 0.3 . 1 . . . . 168 LYS CA . 16599 1 1114 . 1 1 168 168 LYS CB C 13 34.4 0.3 . 1 . . . . 168 LYS CB . 16599 1 1115 . 1 1 168 168 LYS N N 15 119.6 0.2 . 1 . . . . 168 LYS N . 16599 1 1116 . 1 1 169 169 LEU H H 1 8.67 0.02 . 1 . . . . 169 LEU H . 16599 1 1117 . 1 1 169 169 LEU C C 13 174.9 0.3 . 1 . . . . 169 LEU C . 16599 1 1118 . 1 1 169 169 LEU CA C 13 53.4 0.3 . 1 . . . . 169 LEU CA . 16599 1 1119 . 1 1 169 169 LEU CB C 13 45.4 0.3 . 1 . . . . 169 LEU CB . 16599 1 1120 . 1 1 169 169 LEU N N 15 123.8 0.2 . 1 . . . . 169 LEU N . 16599 1 1121 . 1 1 170 170 ASP H H 1 8.68 0.02 . 1 . . . . 170 ASP H . 16599 1 1122 . 1 1 170 170 ASP HA H 1 5.38 0.02 . 1 . . . . 170 ASP HA . 16599 1 1123 . 1 1 170 170 ASP HB2 H 1 3.19 0.02 . 2 . . . . 170 ASP HB2 . 16599 1 1124 . 1 1 170 170 ASP C C 13 176.6 0.3 . 1 . . . . 170 ASP C . 16599 1 1125 . 1 1 170 170 ASP CA C 13 51.9 0.3 . 1 . . . . 170 ASP CA . 16599 1 1126 . 1 1 170 170 ASP CB C 13 43.7 0.3 . 1 . . . . 170 ASP CB . 16599 1 1127 . 1 1 170 170 ASP N N 15 125.8 0.2 . 1 . . . . 170 ASP N . 16599 1 1128 . 1 1 171 171 VAL H H 1 8.21 0.02 . 1 . . . . 171 VAL H . 16599 1 1129 . 1 1 171 171 VAL HA H 1 3.32 0.02 . 1 . . . . 171 VAL HA . 16599 1 1130 . 1 1 171 171 VAL HB H 1 1.44 0.02 . 1 . . . . 171 VAL HB . 16599 1 1131 . 1 1 171 171 VAL C C 13 178.6 0.3 . 1 . . . . 171 VAL C . 16599 1 1132 . 1 1 171 171 VAL CA C 13 64.7 0.3 . 1 . . . . 171 VAL CA . 16599 1 1133 . 1 1 171 171 VAL CB C 13 31.5 0.3 . 1 . . . . 171 VAL CB . 16599 1 1134 . 1 1 171 171 VAL N N 15 119.7 0.2 . 1 . . . . 171 VAL N . 16599 1 1135 . 1 1 172 172 ASP H H 1 8.79 0.02 . 1 . . . . 172 ASP H . 16599 1 1136 . 1 1 172 172 ASP HA H 1 4.45 0.02 . 1 . . . . 172 ASP HA . 16599 1 1137 . 1 1 172 172 ASP HB2 H 1 2.74 0.02 . 2 . . . . 172 ASP HB2 . 16599 1 1138 . 1 1 172 172 ASP HB3 H 1 2.97 0.02 . 2 . . . . 172 ASP HB3 . 16599 1 1139 . 1 1 172 172 ASP C C 13 178.4 0.3 . 1 . . . . 172 ASP C . 16599 1 1140 . 1 1 172 172 ASP CA C 13 58.4 0.3 . 1 . . . . 172 ASP CA . 16599 1 1141 . 1 1 172 172 ASP CB C 13 40.7 0.3 . 1 . . . . 172 ASP CB . 16599 1 1142 . 1 1 172 172 ASP N N 15 128.2 0.2 . 1 . . . . 172 ASP N . 16599 1 1143 . 1 1 173 173 GLU H H 1 8.39 0.02 . 1 . . . . 173 GLU H . 16599 1 1144 . 1 1 173 173 GLU HA H 1 4.42 0.02 . 1 . . . . 173 GLU HA . 16599 1 1145 . 1 1 173 173 GLU C C 13 178.5 0.3 . 1 . . . . 173 GLU C . 16599 1 1146 . 1 1 173 173 GLU CA C 13 58.4 0.3 . 1 . . . . 173 GLU CA . 16599 1 1147 . 1 1 173 173 GLU CB C 13 28.6 0.3 . 1 . . . . 173 GLU CB . 16599 1 1148 . 1 1 173 173 GLU N N 15 123.9 0.2 . 1 . . . . 173 GLU N . 16599 1 1149 . 1 1 174 174 MET H H 1 8.34 0.02 . 1 . . . . 174 MET H . 16599 1 1150 . 1 1 174 174 MET HA H 1 3.85 0.02 . 1 . . . . 174 MET HA . 16599 1 1151 . 1 1 174 174 MET C C 13 178.4 0.3 . 1 . . . . 174 MET C . 16599 1 1152 . 1 1 174 174 MET CA C 13 57.4 0.3 . 1 . . . . 174 MET CA . 16599 1 1153 . 1 1 174 174 MET CB C 13 32.8 0.3 . 1 . . . . 174 MET CB . 16599 1 1154 . 1 1 174 174 MET N N 15 118.3 0.2 . 1 . . . . 174 MET N . 16599 1 1155 . 1 1 175 175 THR H H 1 8.21 0.02 . 1 . . . . 175 THR H . 16599 1 1156 . 1 1 175 175 THR CA C 13 68.1 0.3 . 1 . . . . 175 THR CA . 16599 1 1157 . 1 1 175 175 THR N N 15 114.4 0.2 . 1 . . . . 175 THR N . 16599 1 1158 . 1 1 176 176 ARG H H 1 7.83 0.02 . 1 . . . . 176 ARG H . 16599 1 1159 . 1 1 176 176 ARG HA H 1 3.55 0.02 . 1 . . . . 176 ARG HA . 16599 1 1160 . 1 1 176 176 ARG C C 13 179.9 0.3 . 1 . . . . 176 ARG C . 16599 1 1161 . 1 1 176 176 ARG CA C 13 60.8 0.3 . 1 . . . . 176 ARG CA . 16599 1 1162 . 1 1 176 176 ARG CB C 13 30.6 0.3 . 1 . . . . 176 ARG CB . 16599 1 1163 . 1 1 176 176 ARG N N 15 121.1 0.2 . 1 . . . . 176 ARG N . 16599 1 1164 . 1 1 177 177 GLN H H 1 8.37 0.02 . 1 . . . . 177 GLN H . 16599 1 1165 . 1 1 177 177 GLN HA H 1 3.87 0.02 . 1 . . . . 177 GLN HA . 16599 1 1166 . 1 1 177 177 GLN C C 13 178.5 0.3 . 1 . . . . 177 GLN C . 16599 1 1167 . 1 1 177 177 GLN CA C 13 58.7 0.3 . 1 . . . . 177 GLN CA . 16599 1 1168 . 1 1 177 177 GLN CB C 13 26.4 0.3 . 1 . . . . 177 GLN CB . 16599 1 1169 . 1 1 177 177 GLN N N 15 118.1 0.2 . 1 . . . . 177 GLN N . 16599 1 1170 . 1 1 178 178 HIS H H 1 8.43 0.02 . 1 . . . . 178 HIS H . 16599 1 1171 . 1 1 178 178 HIS HA H 1 4.35 0.02 . 1 . . . . 178 HIS HA . 16599 1 1172 . 1 1 178 178 HIS C C 13 178.2 0.3 . 1 . . . . 178 HIS C . 16599 1 1173 . 1 1 178 178 HIS CA C 13 58.1 0.3 . 1 . . . . 178 HIS CA . 16599 1 1174 . 1 1 178 178 HIS CB C 13 29.4 0.3 . 1 . . . . 178 HIS CB . 16599 1 1175 . 1 1 178 178 HIS N N 15 117.5 0.2 . 1 . . . . 178 HIS N . 16599 1 1176 . 1 1 179 179 LEU H H 1 8.43 0.02 . 1 . . . . 179 LEU H . 16599 1 1177 . 1 1 179 179 LEU HA H 1 4.18 0.02 . 1 . . . . 179 LEU HA . 16599 1 1178 . 1 1 179 179 LEU C C 13 179.6 0.3 . 1 . . . . 179 LEU C . 16599 1 1179 . 1 1 179 179 LEU CA C 13 59.4 0.3 . 1 . . . . 179 LEU CA . 16599 1 1180 . 1 1 179 179 LEU CB C 13 41 0.3 . 1 . . . . 179 LEU CB . 16599 1 1181 . 1 1 179 179 LEU N N 15 121.7 0.2 . 1 . . . . 179 LEU N . 16599 1 1182 . 1 1 180 180 GLY H H 1 7.12 0.02 . 1 . . . . 180 GLY H . 16599 1 1183 . 1 1 180 180 GLY HA2 H 1 3.89 0.02 . 2 . . . . 180 GLY HA2 . 16599 1 1184 . 1 1 180 180 GLY C C 13 175.5 0.3 . 1 . . . . 180 GLY C . 16599 1 1185 . 1 1 180 180 GLY CA C 13 46.8 0.3 . 1 . . . . 180 GLY CA . 16599 1 1186 . 1 1 180 180 GLY N N 15 104.7 0.2 . 1 . . . . 180 GLY N . 16599 1 1187 . 1 1 181 181 PHE H H 1 9.01 0.02 . 1 . . . . 181 PHE H . 16599 1 1188 . 1 1 181 181 PHE HA H 1 4.03 0.02 . 1 . . . . 181 PHE HA . 16599 1 1189 . 1 1 181 181 PHE HB2 H 1 2.06 0.02 . 2 . . . . 181 PHE HB2 . 16599 1 1190 . 1 1 181 181 PHE HB3 H 1 3.02 0.02 . 2 . . . . 181 PHE HB3 . 16599 1 1191 . 1 1 181 181 PHE C C 13 176.9 0.3 . 1 . . . . 181 PHE C . 16599 1 1192 . 1 1 181 181 PHE CA C 13 60.9 0.3 . 1 . . . . 181 PHE CA . 16599 1 1193 . 1 1 181 181 PHE CB C 13 42.5 0.3 . 1 . . . . 181 PHE CB . 16599 1 1194 . 1 1 181 181 PHE N N 15 121.2 0.2 . 1 . . . . 181 PHE N . 16599 1 1195 . 1 1 182 182 TRP H H 1 8.9 0.02 . 1 . . . . 182 TRP H . 16599 1 1196 . 1 1 182 182 TRP HA H 1 5.45 0.02 . 1 . . . . 182 TRP HA . 16599 1 1197 . 1 1 182 182 TRP C C 13 179.7 0.3 . 1 . . . . 182 TRP C . 16599 1 1198 . 1 1 182 182 TRP CA C 13 56.7 0.3 . 1 . . . . 182 TRP CA . 16599 1 1199 . 1 1 182 182 TRP CB C 13 31.9 0.3 . 1 . . . . 182 TRP CB . 16599 1 1200 . 1 1 182 182 TRP N N 15 109.7 0.2 . 1 . . . . 182 TRP N . 16599 1 1201 . 1 1 183 183 TYR H H 1 7.89 0.02 . 1 . . . . 183 TYR H . 16599 1 1202 . 1 1 183 183 TYR HA H 1 6.01 0.02 . 1 . . . . 183 TYR HA . 16599 1 1203 . 1 1 183 183 TYR C C 13 177.8 0.3 . 1 . . . . 183 TYR C . 16599 1 1204 . 1 1 183 183 TYR CA C 13 57.3 0.3 . 1 . . . . 183 TYR CA . 16599 1 1205 . 1 1 183 183 TYR CB C 13 38.8 0.3 . 1 . . . . 183 TYR CB . 16599 1 1206 . 1 1 183 183 TYR N N 15 115.8 0.2 . 1 . . . . 183 TYR N . 16599 1 1207 . 1 1 184 184 THR H H 1 8.66 0.02 . 1 . . . . 184 THR H . 16599 1 1208 . 1 1 184 184 THR HA H 1 3.97 0.02 . 1 . . . . 184 THR HA . 16599 1 1209 . 1 1 184 184 THR C C 13 175 0.3 . 1 . . . . 184 THR C . 16599 1 1210 . 1 1 184 184 THR CA C 13 63 0.3 . 1 . . . . 184 THR CA . 16599 1 1211 . 1 1 184 184 THR CB C 13 70 0.3 . 1 . . . . 184 THR CB . 16599 1 1212 . 1 1 184 184 THR N N 15 107 0.2 . 1 . . . . 184 THR N . 16599 1 1213 . 1 1 185 185 LEU H H 1 7.73 0.02 . 1 . . . . 185 LEU H . 16599 1 1214 . 1 1 185 185 LEU CA C 13 54.8 0.3 . 1 . . . . 185 LEU CA . 16599 1 1215 . 1 1 185 185 LEU CB C 13 43.1 0.3 . 1 . . . . 185 LEU CB . 16599 1 1216 . 1 1 185 185 LEU N N 15 123 0.2 . 1 . . . . 185 LEU N . 16599 1 1217 . 1 1 186 186 ASP H H 1 8.28 0.02 . 1 . . . . 186 ASP H . 16599 1 1218 . 1 1 186 186 ASP HA H 1 4.62 0.02 . 1 . . . . 186 ASP HA . 16599 1 1219 . 1 1 186 186 ASP C C 13 177.1 0.3 . 1 . . . . 186 ASP C . 16599 1 1220 . 1 1 186 186 ASP CA C 13 51.6 0.3 . 1 . . . . 186 ASP CA . 16599 1 1221 . 1 1 186 186 ASP CB C 13 42.3 0.3 . 1 . . . . 186 ASP CB . 16599 1 1222 . 1 1 186 186 ASP N N 15 122.3 0.2 . 1 . . . . 186 ASP N . 16599 1 1223 . 1 1 187 187 PRO HA H 1 4.42 0.02 . 1 . . . . 187 PRO HA . 16599 1 1224 . 1 1 187 187 PRO HB2 H 1 2.01 0.02 . 2 . . . . 187 PRO HB2 . 16599 1 1225 . 1 1 187 187 PRO HB3 H 1 2.43 0.02 . 2 . . . . 187 PRO HB3 . 16599 1 1226 . 1 1 187 187 PRO C C 13 178.9 0.3 . 1 . . . . 187 PRO C . 16599 1 1227 . 1 1 187 187 PRO CA C 13 64.8 0.3 . 1 . . . . 187 PRO CA . 16599 1 1228 . 1 1 187 187 PRO CB C 13 31.9 0.3 . 1 . . . . 187 PRO CB . 16599 1 1229 . 1 1 188 188 ASN H H 1 8.59 0.02 . 1 . . . . 188 ASN H . 16599 1 1230 . 1 1 188 188 ASN HA H 1 4.48 0.02 . 1 . . . . 188 ASN HA . 16599 1 1231 . 1 1 188 188 ASN HB2 H 1 2.61 0.02 . 2 . . . . 188 ASN HB2 . 16599 1 1232 . 1 1 188 188 ASN HD21 H 1 8.07 0.02 . 2 . . . . 188 ASN HD21 . 16599 1 1233 . 1 1 188 188 ASN HD22 H 1 6.9 0.02 . 2 . . . . 188 ASN HD22 . 16599 1 1234 . 1 1 188 188 ASN C C 13 175.5 0.3 . 1 . . . . 188 ASN C . 16599 1 1235 . 1 1 188 188 ASN CA C 13 55.1 0.3 . 1 . . . . 188 ASN CA . 16599 1 1236 . 1 1 188 188 ASN CB C 13 37.8 0.3 . 1 . . . . 188 ASN CB . 16599 1 1237 . 1 1 188 188 ASN N N 15 115.7 0.2 . 1 . . . . 188 ASN N . 16599 1 1238 . 1 1 188 188 ASN ND2 N 15 115.1 0.2 . 1 . . . . 188 ASN ND2 . 16599 1 1239 . 1 1 189 189 ALA H H 1 8.32 0.02 . 1 . . . . 189 ALA H . 16599 1 1240 . 1 1 189 189 ALA HA H 1 4.58 0.02 . 1 . . . . 189 ALA HA . 16599 1 1241 . 1 1 189 189 ALA HB1 H 1 1.63 0.02 . 1 . . . . 189 ALA HB . 16599 1 1242 . 1 1 189 189 ALA HB2 H 1 1.63 0.02 . 1 . . . . 189 ALA HB . 16599 1 1243 . 1 1 189 189 ALA HB3 H 1 1.63 0.02 . 1 . . . . 189 ALA HB . 16599 1 1244 . 1 1 189 189 ALA C C 13 175.8 0.3 . 1 . . . . 189 ALA C . 16599 1 1245 . 1 1 189 189 ALA CA C 13 51.9 0.3 . 1 . . . . 189 ALA CA . 16599 1 1246 . 1 1 189 189 ALA CB C 13 19.2 0.3 . 1 . . . . 189 ALA CB . 16599 1 1247 . 1 1 189 189 ALA N N 15 120.5 0.2 . 1 . . . . 189 ALA N . 16599 1 1248 . 1 1 190 190 ASP H H 1 7.01 0.02 . 1 . . . . 190 ASP H . 16599 1 1249 . 1 1 190 190 ASP HA H 1 4.45 0.02 . 1 . . . . 190 ASP HA . 16599 1 1250 . 1 1 190 190 ASP C C 13 176.9 0.3 . 1 . . . . 190 ASP C . 16599 1 1251 . 1 1 190 190 ASP CA C 13 56.7 0.3 . 1 . . . . 190 ASP CA . 16599 1 1252 . 1 1 190 190 ASP CB C 13 39.6 0.3 . 1 . . . . 190 ASP CB . 16599 1 1253 . 1 1 190 190 ASP N N 15 118 0.2 . 1 . . . . 190 ASP N . 16599 1 1254 . 1 1 191 191 GLY H H 1 8.43 0.02 . 1 . . . . 191 GLY H . 16599 1 1255 . 1 1 191 191 GLY HA2 H 1 3.57 0.02 . 2 . . . . 191 GLY HA2 . 16599 1 1256 . 1 1 191 191 GLY HA3 H 1 4.27 0.02 . 2 . . . . 191 GLY HA3 . 16599 1 1257 . 1 1 191 191 GLY C C 13 176.9 0.3 . 1 . . . . 191 GLY C . 16599 1 1258 . 1 1 191 191 GLY CA C 13 44.4 0.3 . 1 . . . . 191 GLY CA . 16599 1 1259 . 1 1 191 191 GLY N N 15 107.6 0.2 . 1 . . . . 191 GLY N . 16599 1 1260 . 1 1 192 192 LEU H H 1 7.11 0.02 . 1 . . . . 192 LEU H . 16599 1 1261 . 1 1 192 192 LEU HA H 1 2.96 0.02 . 1 . . . . 192 LEU HA . 16599 1 1262 . 1 1 192 192 LEU C C 13 174 0.3 . 1 . . . . 192 LEU C . 16599 1 1263 . 1 1 192 192 LEU CA C 13 57.5 0.3 . 1 . . . . 192 LEU CA . 16599 1 1264 . 1 1 192 192 LEU CB C 13 42.1 0.3 . 1 . . . . 192 LEU CB . 16599 1 1265 . 1 1 192 192 LEU N N 15 122.6 0.2 . 1 . . . . 192 LEU N . 16599 1 1266 . 1 1 193 193 TYR H H 1 7.24 0.02 . 1 . . . . 193 TYR H . 16599 1 1267 . 1 1 193 193 TYR HA H 1 4.1 0.02 . 1 . . . . 193 TYR HA . 16599 1 1268 . 1 1 193 193 TYR C C 13 175.5 0.3 . 1 . . . . 193 TYR C . 16599 1 1269 . 1 1 193 193 TYR CA C 13 57.2 0.3 . 1 . . . . 193 TYR CA . 16599 1 1270 . 1 1 193 193 TYR CB C 13 37.5 0.3 . 1 . . . . 193 TYR CB . 16599 1 1271 . 1 1 193 193 TYR N N 15 113.2 0.2 . 1 . . . . 193 TYR N . 16599 1 1272 . 1 1 194 194 GLY H H 1 7.4 0.02 . 1 . . . . 194 GLY H . 16599 1 1273 . 1 1 194 194 GLY HA2 H 1 3.52 0.02 . 2 . . . . 194 GLY HA2 . 16599 1 1274 . 1 1 194 194 GLY HA3 H 1 4.05 0.02 . 2 . . . . 194 GLY HA3 . 16599 1 1275 . 1 1 194 194 GLY C C 13 175.1 0.3 . 1 . . . . 194 GLY C . 16599 1 1276 . 1 1 194 194 GLY CA C 13 46.7 0.3 . 1 . . . . 194 GLY CA . 16599 1 1277 . 1 1 194 194 GLY N N 15 104.3 0.2 . 1 . . . . 194 GLY N . 16599 1 1278 . 1 1 195 195 ASN H H 1 9.4 0.02 . 1 . . . . 195 ASN H . 16599 1 1279 . 1 1 195 195 ASN HA H 1 4.73 0.02 . 1 . . . . 195 ASN HA . 16599 1 1280 . 1 1 195 195 ASN HB2 H 1 2.81 0.02 . 2 . . . . 195 ASN HB2 . 16599 1 1281 . 1 1 195 195 ASN HB3 H 1 2.98 0.02 . 2 . . . . 195 ASN HB3 . 16599 1 1282 . 1 1 195 195 ASN HD21 H 1 7.73 0.02 . 2 . . . . 195 ASN HD21 . 16599 1 1283 . 1 1 195 195 ASN HD22 H 1 6.97 0.02 . 2 . . . . 195 ASN HD22 . 16599 1 1284 . 1 1 195 195 ASN C C 13 175.2 0.3 . 1 . . . . 195 ASN C . 16599 1 1285 . 1 1 195 195 ASN CA C 13 52.9 0.3 . 1 . . . . 195 ASN CA . 16599 1 1286 . 1 1 195 195 ASN CB C 13 39.1 0.3 . 1 . . . . 195 ASN CB . 16599 1 1287 . 1 1 195 195 ASN N N 15 125.4 0.2 . 1 . . . . 195 ASN N . 16599 1 1288 . 1 1 195 195 ASN ND2 N 15 113.1 0.2 . 1 . . . . 195 ASN ND2 . 16599 1 1289 . 1 1 196 196 PHE H H 1 7.82 0.02 . 1 . . . . 196 PHE H . 16599 1 1290 . 1 1 196 196 PHE C C 13 174 0.3 . 1 . . . . 196 PHE C . 16599 1 1291 . 1 1 196 196 PHE CA C 13 62.2 0.3 . 1 . . . . 196 PHE CA . 16599 1 1292 . 1 1 196 196 PHE CB C 13 39.5 0.3 . 1 . . . . 196 PHE CB . 16599 1 1293 . 1 1 196 196 PHE N N 15 120.1 0.2 . 1 . . . . 196 PHE N . 16599 1 stop_ save_