data_18800 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments of the apo and Zn(II) protoporphyrin IX-bound states of the soluble form of rat heme oxygenase-1 ; _BMRB_accession_number 18800 _BMRB_flat_file_name bmr18800.str _Entry_type original _Submission_date 2012-10-22 _Accession_date 2012-10-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Harada Erisa . . 2 Sugishima Masakazu . . 3 Harada Jiro . . 4 Noguchi Masato . . 5 Fukuyama Keiichi . . 6 Sugase Kenji . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 214 "13C chemical shifts" 666 "15N chemical shifts" 214 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-05-07 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 18798 'HO-1 (wild type, apo form)' 18799 'HO-1 (F79A mutant, apo form)' stop_ _Original_release_date 2015-05-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone assignments of the apo and Zn(II) protoporphyrin IX-bound states of the soluble form of rat heme oxygenase-1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25209143 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Harada Erisa . . 2 Sugishima Masakazu . . 3 Harada Jiro . . 4 Noguchi Masato . . 5 Fukuyama Keiichi . . 6 Sugase Kenji . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 9 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 197 _Page_last 200 _Year 2015 _Details . loop_ _Keyword dynamics enzyme 'heme oxygenase' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_entry_citation_2 _Saveframe_category citation _Citation_full . _Citation_title ; Distal regulation of heme binding of heme oxygenase-1 mediated by conformational fluctuations ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25496210 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Harada Erisa . . 2 Sugishima Masakazu . . 3 Harada Jiro . . 4 Noguchi Masato . . 5 Fukuyama Keiichi . . 6 Sugase Kenji . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full . _Journal_volume 54 _Journal_issue 2 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 340 _Page_last 348 _Year 2015 _Details . loop_ _Keyword dynamics enzyme 'heme oxygenase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HO-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HO-1_complex $HO-1_complex zinc_protoporphyrin_IX $entity_ZNH stop_ _System_molecular_weight 27420 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HO-1_complex _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HO-1_complex _Molecular_mass 26800 _Mol_thiol_state 'not present' loop_ _Biological_function OXIDOREDUCTASE stop_ _Details 'zinc(II) protoporphyrin bound form' ############################## # Polymer residue sequence # ############################## _Residue_count 232 _Mol_residue_sequence ; MERPQLDSMSQDLSEALKEA TKEVHIRAENSEFMRNFQKG QVSREGFKLVMASLYHIYTA LEEEIERNKQNPVYAPLYFP EELHRRAALEQDMAFWYGPH WQEAIPYTPATQHYVKRLHE VGGTHPELLVAHAYTRYLGD LSGGQVLKKIAQKAMALPSS GEGLAFFTFPSIDNPTKFKQ LYRARMNTLEMTPEVKHRVT EEAKTAFLLNIELFEELQAL LTEEHKDQSPSQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ARG 4 PRO 5 GLN 6 LEU 7 ASP 8 SER 9 MET 10 SER 11 GLN 12 ASP 13 LEU 14 SER 15 GLU 16 ALA 17 LEU 18 LYS 19 GLU 20 ALA 21 THR 22 LYS 23 GLU 24 VAL 25 HIS 26 ILE 27 ARG 28 ALA 29 GLU 30 ASN 31 SER 32 GLU 33 PHE 34 MET 35 ARG 36 ASN 37 PHE 38 GLN 39 LYS 40 GLY 41 GLN 42 VAL 43 SER 44 ARG 45 GLU 46 GLY 47 PHE 48 LYS 49 LEU 50 VAL 51 MET 52 ALA 53 SER 54 LEU 55 TYR 56 HIS 57 ILE 58 TYR 59 THR 60 ALA 61 LEU 62 GLU 63 GLU 64 GLU 65 ILE 66 GLU 67 ARG 68 ASN 69 LYS 70 GLN 71 ASN 72 PRO 73 VAL 74 TYR 75 ALA 76 PRO 77 LEU 78 TYR 79 PHE 80 PRO 81 GLU 82 GLU 83 LEU 84 HIS 85 ARG 86 ARG 87 ALA 88 ALA 89 LEU 90 GLU 91 GLN 92 ASP 93 MET 94 ALA 95 PHE 96 TRP 97 TYR 98 GLY 99 PRO 100 HIS 101 TRP 102 GLN 103 GLU 104 ALA 105 ILE 106 PRO 107 TYR 108 THR 109 PRO 110 ALA 111 THR 112 GLN 113 HIS 114 TYR 115 VAL 116 LYS 117 ARG 118 LEU 119 HIS 120 GLU 121 VAL 122 GLY 123 GLY 124 THR 125 HIS 126 PRO 127 GLU 128 LEU 129 LEU 130 VAL 131 ALA 132 HIS 133 ALA 134 TYR 135 THR 136 ARG 137 TYR 138 LEU 139 GLY 140 ASP 141 LEU 142 SER 143 GLY 144 GLY 145 GLN 146 VAL 147 LEU 148 LYS 149 LYS 150 ILE 151 ALA 152 GLN 153 LYS 154 ALA 155 MET 156 ALA 157 LEU 158 PRO 159 SER 160 SER 161 GLY 162 GLU 163 GLY 164 LEU 165 ALA 166 PHE 167 PHE 168 THR 169 PHE 170 PRO 171 SER 172 ILE 173 ASP 174 ASN 175 PRO 176 THR 177 LYS 178 PHE 179 LYS 180 GLN 181 LEU 182 TYR 183 ARG 184 ALA 185 ARG 186 MET 187 ASN 188 THR 189 LEU 190 GLU 191 MET 192 THR 193 PRO 194 GLU 195 VAL 196 LYS 197 HIS 198 ARG 199 VAL 200 THR 201 GLU 202 GLU 203 ALA 204 LYS 205 THR 206 ALA 207 PHE 208 LEU 209 LEU 210 ASN 211 ILE 212 GLU 213 LEU 214 PHE 215 GLU 216 GLU 217 LEU 218 GLN 219 ALA 220 LEU 221 LEU 222 THR 223 GLU 224 GLU 225 HIS 226 LYS 227 ASP 228 GLN 229 SER 230 PRO 231 SER 232 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18798 "No definition line" 100.00 232 100.00 100.00 7.58e-170 BMRB 18799 HO-1_F79A 100.00 232 99.57 99.57 1.06e-168 PDB 1DVE "Crystal Structure Of Rat Heme Oxygenase-1 In Complex With Heme" 100.00 267 100.00 100.00 3.82e-170 PDB 1IRM "Crystal Structure Of Apo Heme Oxygenase-1" 100.00 267 100.00 100.00 3.82e-170 PDB 1IVJ "Crystal Structure Of Rat Hemeoxygenase-1 In Complex With Heme And Azide." 100.00 267 100.00 100.00 3.82e-170 PDB 1IX3 "Crystal Structure Of Rat Heme Oxygenase-1 In Complex With Heme Bound To Cyanide" 100.00 267 100.00 100.00 3.82e-170 PDB 1IX4 "Crystal Structure Of Rat Heme Oxygenase-1 In Complex With Heme Bound To Carbon Monoxide" 100.00 267 100.00 100.00 3.82e-170 PDB 1J02 "Crystal Structure Of Rat Heme Oxygenase-1-heme Bound To No" 100.00 267 100.00 100.00 3.82e-170 PDB 1J2C "Crystal Structure Of Rat Heme Oxygenase-1 In Complex With Biliverdin Ixalpha-Iron Cluster" 100.00 267 100.00 100.00 3.82e-170 PDB 1UBB "Crystal Structure Of Rat Ho-1 In Complex With Ferrous Heme" 100.00 267 100.00 100.00 3.82e-170 PDB 1ULX "Partially Photolyzed Structure Of Co-bound Heme-heme Oxygenase Complex" 100.00 267 100.00 100.00 3.82e-170 PDB 1VGI "Crystal Structure Of Xenon Bound Rat Heme-heme Oxygenase-1 Complex" 100.00 267 100.00 100.00 3.82e-170 PDB 2DY5 "Crystal Structure Of Rat Heme Oxygenase-1 In Complex With Heme And 2-[2-(4-Chlorophenyl)ethyl]-2-[(1h-Imidazol-1-Yl) Methyl]-1," 100.00 267 100.00 100.00 3.82e-170 PDB 2E7E "Bent-Binding Of Cyanide To The Heme Iron In Rat Heme Oxygenase-1" 100.00 267 100.00 100.00 3.82e-170 PDB 2ZVU "Crystal Structure Of Rat Heme Oxygenase-1 In Complex With Ferrous Verdoheme" 100.00 267 100.00 100.00 3.82e-170 PDB 3I9T "Crystal Structure Of The Rat Heme Oxygenase (Ho-1) In Comple Heme Binding Dithiothreitol (Dtt)" 100.00 263 100.00 100.00 5.01e-170 PDB 3I9U "Crystal Structure Of The Rat Heme Oxygenase (Ho-1) In Comple Heme Binding Dithioerythritol (Dte)" 100.00 263 100.00 100.00 5.01e-170 PDB 3WKT "Complex Structure Of An Open Form Of Nadph-cytochrome P450 Reductase And Heme Oxygenase-1" 100.00 267 100.00 100.00 3.82e-170 PDB 4G7L "Crystal Structure Of Rat Heme Oxygenase-1 In Complex With Heme And O2" 100.00 267 100.00 100.00 3.82e-170 PDB 4G7P "Rat Heme Oxygenase-1 In Complex With Heme And Co With 1 Hr Illumination At 100 K: Laser Off" 100.00 267 100.00 100.00 3.82e-170 PDB 4G7T "Rat Heme Oxygenase-1 In Complex With Heme And Co With 1 Hr Illumination: Laser On" 100.00 267 100.00 100.00 3.82e-170 PDB 4G7U "Rat Heme Oxygenase-1 In Complex With Heme And Co With 16 Hr Illumination: Laser Off" 100.00 267 100.00 100.00 3.82e-170 PDB 4G8P "Rat Heme Oxygenase-1 In Complex With Heme And Co With 16 Hr Illumination: Laser On" 100.00 267 100.00 100.00 3.82e-170 PDB 4G8U "Rat Heme Oxygenase-1 In Complex With Heme And O2 With 13 Hr Illumination: Laser Off" 100.00 267 100.00 100.00 3.82e-170 PDB 4G8W "Rat Heme Oxygenase-1 In Complex With Heme And O2 With 13 Hr Illumination: Laser On" 100.00 267 100.00 100.00 3.82e-170 PDB 4G98 "Rat Heme Oxygenase-1 In Complex With Heme And Co At 100k" 100.00 267 100.00 100.00 3.82e-170 PDB 4G99 "Rat Heme Oxygenase-1 In Complex With Heme And Co At 100 K After Warming To 160 K" 100.00 267 100.00 100.00 3.82e-170 PDB 4MEC "Crystal Structure Of Rat Heme Oxygenase-1 In Complex With Zn(ii)- Protoporphyrin Ix" 100.00 232 100.00 100.00 7.58e-170 GB AAA41346 "heme oxygenase [Rattus norvegicus]" 100.00 289 100.00 100.00 6.68e-170 GB AAH91164 "Heme oxygenase (decycling) 1 [Rattus norvegicus]" 100.00 289 100.00 100.00 6.68e-170 GB ADD84876 "heme oxygenase 1, partial [Nannospalax ehrenbergi]" 93.10 230 98.15 99.07 1.32e-153 GB EDL87376 "heme oxygenase (decycling) 1 [Rattus norvegicus]" 100.00 289 100.00 100.00 6.68e-170 REF NP_036712 "heme oxygenase 1 [Rattus norvegicus]" 100.00 289 100.00 100.00 6.68e-170 SP P06762 "RecName: Full=Heme oxygenase 1; Short=HO-1; AltName: Full=HSP32" 100.00 289 100.00 100.00 6.68e-170 stop_ save_ ############# # Ligands # ############# save_ZNH _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'PROTOPORPHYRIN IX CONTAINING ZN' _BMRB_code ZNH _PDB_code ZNH _Molecular_mass 626.051 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 0 . ? CHA CHA C . 0 . ? CHB CHB C . 0 . ? CHC CHC C . 0 . ? CHD CHD C . 0 . ? NA NA N . 0 . ? C1A C1A C . 0 . ? C2A C2A C . 0 . ? C3A C3A C . 0 . ? C4A C4A C . 0 . ? CMA CMA C . 0 . ? CAA CAA C . 0 . ? CBA CBA C . 0 . ? CGA CGA C . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? NB NB N . 0 . ? C1B C1B C . 0 . ? C2B C2B C . 0 . ? C3B C3B C . 0 . ? C4B C4B C . 0 . ? CMB CMB C . 0 . ? CAB CAB C . 0 . ? CBB CBB C . 0 . ? NC NC N . 0 . ? C1C C1C C . 0 . ? C2C C2C C . 0 . ? C3C C3C C . 0 . ? C4C C4C C . 0 . ? CMC CMC C . 0 . ? CAC CAC C . 0 . ? CBC CBC C . 0 . ? ND ND N . 0 . ? C1D C1D C . 0 . ? C2D C2D C . 0 . ? C3D C3D C . 0 . ? C4D C4D C . 0 . ? CMD CMD C . 0 . ? CAD CAD C . 0 . ? CBD CBD C . 0 . ? CGD CGD C . 0 . ? O1D O1D O . 0 . ? O2D O2D O . 0 . ? HHA HHA H . 0 . ? HHB HHB H . 0 . ? HHC HHC H . 0 . ? HHD HHD H . 0 . ? HMA1 HMA1 H . 0 . ? HMA2 HMA2 H . 0 . ? HMA3 HMA3 H . 0 . ? HAA1 HAA1 H . 0 . ? HAA2 HAA2 H . 0 . ? HBA1 HBA1 H . 0 . ? HBA2 HBA2 H . 0 . ? H2A H2A H . 0 . ? HMB1 HMB1 H . 0 . ? HMB2 HMB2 H . 0 . ? HMB3 HMB3 H . 0 . ? HAB HAB H . 0 . ? HBB1 HBB1 H . 0 . ? HBB2 HBB2 H . 0 . ? HMC1 HMC1 H . 0 . ? HMC2 HMC2 H . 0 . ? HMC3 HMC3 H . 0 . ? HAC HAC H . 0 . ? HBC1 HBC1 H . 0 . ? HBC2 HBC2 H . 0 . ? HMD1 HMD1 H . 0 . ? HMD2 HMD2 H . 0 . ? HMD3 HMD3 H . 0 . ? HAD1 HAD1 H . 0 . ? HAD2 HAD2 H . 0 . ? HBD1 HBD1 H . 0 . ? HBD2 HBD2 H . 0 . ? H2D H2D H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING ZN NA ? ? SING ZN NB ? ? SING ZN NC ? ? SING ZN ND ? ? DOUB CHA C1A ? ? SING CHA C4D ? ? SING CHA HHA ? ? DOUB CHB C4A ? ? SING CHB C1B ? ? SING CHB HHB ? ? DOUB CHC C4B ? ? SING CHC C1C ? ? SING CHC HHC ? ? SING CHD C4C ? ? DOUB CHD C1D ? ? SING CHD HHD ? ? SING NA C1A ? ? SING NA C4A ? ? SING C1A C2A ? ? DOUB C2A C3A ? ? SING C2A CAA ? ? SING C3A C4A ? ? SING C3A CMA ? ? SING CMA HMA1 ? ? SING CMA HMA2 ? ? SING CMA HMA3 ? ? SING CAA CBA ? ? SING CAA HAA1 ? ? SING CAA HAA2 ? ? SING CBA CGA ? ? SING CBA HBA1 ? ? SING CBA HBA2 ? ? DOUB CGA O1A ? ? SING CGA O2A ? ? SING O2A H2A ? ? DOUB NB C1B ? ? SING NB C4B ? ? SING C1B C2B ? ? DOUB C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? SING C3B CAB ? ? SING CMB HMB1 ? ? SING CMB HMB2 ? ? SING CMB HMB3 ? ? DOUB CAB CBB ? ? SING CAB HAB ? ? SING CBB HBB1 ? ? SING CBB HBB2 ? ? SING NC C1C ? ? SING NC C4C ? ? DOUB C1C C2C ? ? SING C2C C3C ? ? SING C2C CMC ? ? DOUB C3C C4C ? ? SING C3C CAC ? ? SING CMC HMC1 ? ? SING CMC HMC2 ? ? SING CMC HMC3 ? ? DOUB CAC CBC ? ? SING CAC HAC ? ? SING CBC HBC1 ? ? SING CBC HBC2 ? ? SING ND C1D ? ? DOUB ND C4D ? ? SING C1D C2D ? ? DOUB C2D C3D ? ? SING C2D CMD ? ? SING C3D C4D ? ? SING C3D CAD ? ? SING CMD HMD1 ? ? SING CMD HMD2 ? ? SING CMD HMD3 ? ? SING CAD CBD ? ? SING CAD HAD1 ? ? SING CAD HAD2 ? ? SING CBD CGD ? ? SING CBD HBD1 ? ? SING CBD HBD2 ? ? DOUB CGD O1D ? ? SING CGD O2D ? ? SING O2D H2D ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HO-1_complex Rat 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HO-1_complex 'recombinant technology' . Escherichia coli BL21(DE3) pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HO-1_complex 1.0 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'potassium phosphate' 50 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version . loop_ _Vendor _Address _Electronic_address 'RIKEN, Naohiro Kobayashi' . . stop_ loop_ _Task 'automated peak assignment' 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(CA)CO' '3D HN(CO)CACB' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HO-1_complex _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLU C C 176.003 0.300 1 2 2 2 GLU CA C 55.991 0.300 1 3 2 2 GLU CB C 29.639 0.300 1 4 3 3 ARG H H 8.449 0.030 1 5 3 3 ARG C C 174.169 0.300 1 6 3 3 ARG CA C 53.672 0.300 1 7 3 3 ARG CB C 29.322 0.300 1 8 3 3 ARG N N 123.759 0.300 1 9 4 4 PRO C C 176.832 0.300 1 10 4 4 PRO CA C 62.842 0.300 1 11 4 4 PRO CB C 31.384 0.300 1 12 5 5 GLN H H 8.412 0.030 1 13 5 5 GLN C C 176.094 0.300 1 14 5 5 GLN CA C 55.464 0.300 1 15 5 5 GLN CB C 28.608 0.300 1 16 5 5 GLN N N 121.254 0.300 1 17 6 6 LEU H H 8.221 0.030 1 18 6 6 LEU C C 177.274 0.300 1 19 6 6 LEU CA C 54.891 0.300 1 20 6 6 LEU CB C 41.455 0.300 1 21 6 6 LEU N N 123.882 0.300 1 22 7 7 ASP H H 8.309 0.030 1 23 7 7 ASP C C 176.637 0.300 1 24 7 7 ASP CA C 54.188 0.300 1 25 7 7 ASP CB C 40.775 0.300 1 26 7 7 ASP N N 121.544 0.300 1 27 8 8 SER H H 8.170 0.030 1 28 8 8 SER C C 174.980 0.300 1 29 8 8 SER CA C 58.644 0.300 1 30 8 8 SER CB C 63.544 0.300 1 31 8 8 SER N N 116.433 0.300 1 32 9 9 MET H H 8.242 0.030 1 33 9 9 MET C C 176.356 0.300 1 34 9 9 MET CA C 55.447 0.300 1 35 9 9 MET CB C 32.138 0.300 1 36 9 9 MET N N 121.810 0.300 1 37 10 10 SER H H 8.175 0.030 1 38 10 10 SER C C 174.272 0.300 1 39 10 10 SER CA C 58.167 0.300 1 40 10 10 SER CB C 63.594 0.300 1 41 10 10 SER N N 116.867 0.300 1 42 11 11 GLN H H 8.142 0.030 1 43 11 11 GLN C C 175.638 0.300 1 44 11 11 GLN CA C 55.180 0.300 1 45 11 11 GLN CB C 29.513 0.300 1 46 11 11 GLN N N 123.007 0.300 1 47 12 12 ASP H H 8.593 0.030 1 48 12 12 ASP C C 176.851 0.300 1 49 12 12 ASP CA C 54.326 0.300 1 50 12 12 ASP CB C 40.344 0.300 1 51 12 12 ASP N N 124.452 0.300 1 52 13 13 LEU H H 9.081 0.030 1 53 13 13 LEU C C 178.111 0.300 1 54 13 13 LEU CA C 58.134 0.300 1 55 13 13 LEU CB C 40.385 0.300 1 56 13 13 LEU N N 126.595 0.300 1 57 14 14 SER H H 9.986 0.030 1 58 14 14 SER C C 177.071 0.300 1 59 14 14 SER CA C 62.525 0.300 1 60 14 14 SER CB C 60.887 0.300 1 61 14 14 SER N N 114.275 0.300 1 62 15 15 GLU H H 7.129 0.030 1 63 15 15 GLU C C 178.303 0.300 1 64 15 15 GLU CA C 57.895 0.300 1 65 15 15 GLU CB C 28.958 0.300 1 66 15 15 GLU N N 124.547 0.300 1 67 16 16 ALA H H 8.483 0.030 1 68 16 16 ALA C C 181.527 0.300 1 69 16 16 ALA CA C 54.524 0.300 1 70 16 16 ALA CB C 17.291 0.300 1 71 16 16 ALA N N 123.992 0.300 1 72 17 17 LEU H H 8.762 0.030 1 73 17 17 LEU C C 178.829 0.300 1 74 17 17 LEU CA C 57.968 0.300 1 75 17 17 LEU CB C 40.547 0.300 1 76 17 17 LEU N N 119.238 0.300 1 77 18 18 LYS H H 7.256 0.030 1 78 18 18 LYS C C 179.023 0.300 1 79 18 18 LYS CA C 59.079 0.300 1 80 18 18 LYS CB C 31.587 0.300 1 81 18 18 LYS N N 122.681 0.300 1 82 19 19 GLU H H 8.080 0.030 1 83 19 19 GLU C C 179.325 0.300 1 84 19 19 GLU CA C 58.493 0.300 1 85 19 19 GLU CB C 28.821 0.300 1 86 19 19 GLU N N 117.472 0.300 1 87 20 20 ALA H H 8.222 0.030 1 88 20 20 ALA C C 179.485 0.300 1 89 20 20 ALA CA C 53.866 0.300 1 90 20 20 ALA CB C 18.935 0.300 1 91 20 20 ALA N N 119.048 0.300 1 92 21 21 THR H H 7.312 0.030 1 93 21 21 THR C C 173.445 0.300 1 94 21 21 THR CA C 60.056 0.300 1 95 21 21 THR CB C 68.852 0.300 1 96 21 21 THR N N 102.646 0.300 1 97 22 22 LYS H H 6.728 0.030 1 98 22 22 LYS C C 178.178 0.300 1 99 22 22 LYS CA C 59.661 0.300 1 100 22 22 LYS CB C 31.422 0.300 1 101 22 22 LYS N N 123.253 0.300 1 102 23 23 GLU H H 7.825 0.030 1 103 23 23 GLU C C 180.028 0.300 1 104 23 23 GLU CA C 59.096 0.300 1 105 23 23 GLU CB C 27.855 0.300 1 106 23 23 GLU N N 117.417 0.300 1 107 24 24 VAL H H 7.743 0.030 1 108 24 24 VAL C C 176.873 0.300 1 109 24 24 VAL CA C 63.972 0.300 1 110 24 24 VAL CB C 30.546 0.300 1 111 24 24 VAL N N 114.808 0.300 1 112 25 25 HIS H H 7.675 0.030 1 113 25 25 HIS C C 176.654 0.300 1 114 25 25 HIS CA C 59.527 0.300 1 115 25 25 HIS CB C 25.674 0.300 1 116 25 25 HIS N N 122.246 0.300 1 117 26 26 ILE H H 6.630 0.030 1 118 26 26 ILE C C 178.593 0.300 1 119 26 26 ILE CA C 63.913 0.300 1 120 26 26 ILE CB C 37.015 0.300 1 121 26 26 ILE N N 119.695 0.300 1 122 27 27 ARG H H 7.120 0.030 1 123 27 27 ARG C C 178.423 0.300 1 124 27 27 ARG CA C 58.696 0.300 1 125 27 27 ARG CB C 29.362 0.300 1 126 27 27 ARG N N 118.444 0.300 1 127 28 28 ALA H H 7.798 0.030 1 128 28 28 ALA C C 179.734 0.300 1 129 28 28 ALA CA C 55.519 0.300 1 130 28 28 ALA CB C 16.691 0.300 1 131 28 28 ALA N N 122.383 0.300 1 132 29 29 GLU H H 7.741 0.030 1 133 29 29 GLU C C 175.407 0.300 1 134 29 29 GLU CA C 58.847 0.300 1 135 29 29 GLU CB C 28.441 0.300 1 136 29 29 GLU N N 118.317 0.300 1 137 30 30 ASN H H 7.294 0.030 1 138 30 30 ASN C C 175.161 0.300 1 139 30 30 ASN CA C 52.685 0.300 1 140 30 30 ASN CB C 38.970 0.300 1 141 30 30 ASN N N 111.603 0.300 1 142 31 31 SER H H 7.387 0.030 1 143 31 31 SER C C 174.766 0.300 1 144 31 31 SER CA C 58.922 0.300 1 145 31 31 SER CB C 63.978 0.300 1 146 31 31 SER N N 119.178 0.300 1 147 32 32 GLU H H 9.269 0.030 1 148 32 32 GLU C C 178.099 0.300 1 149 32 32 GLU CA C 60.584 0.300 1 150 32 32 GLU CB C 29.056 0.300 1 151 32 32 GLU N N 127.279 0.300 1 152 33 33 PHE H H 9.597 0.030 1 153 33 33 PHE C C 178.946 0.300 1 154 33 33 PHE CA C 62.078 0.300 1 155 33 33 PHE CB C 40.703 0.300 1 156 33 33 PHE N N 117.523 0.300 1 157 34 34 MET H H 7.282 0.030 1 158 34 34 MET C C 179.921 0.300 1 159 34 34 MET CA C 56.377 0.300 1 160 34 34 MET CB C 32.693 0.300 1 161 34 34 MET N N 116.269 0.300 1 162 35 35 ARG H H 9.506 0.030 1 163 35 35 ARG C C 179.718 0.300 1 164 35 35 ARG CA C 59.399 0.300 1 165 35 35 ARG CB C 29.084 0.300 1 166 35 35 ARG N N 125.730 0.300 1 167 36 36 ASN H H 8.426 0.030 1 168 36 36 ASN C C 177.973 0.300 1 169 36 36 ASN CA C 55.517 0.300 1 170 36 36 ASN CB C 36.341 0.300 1 171 36 36 ASN N N 118.954 0.300 1 172 37 37 PHE H H 8.044 0.030 1 173 37 37 PHE C C 180.298 0.300 1 174 37 37 PHE CA C 59.645 0.300 1 175 37 37 PHE CB C 38.046 0.300 1 176 37 37 PHE N N 123.747 0.300 1 177 38 38 GLN H H 8.571 0.030 1 178 38 38 GLN C C 176.941 0.300 1 179 38 38 GLN CA C 59.462 0.300 1 180 38 38 GLN CB C 29.632 0.300 1 181 38 38 GLN N N 116.978 0.300 1 182 39 39 LYS H H 7.530 0.030 1 183 39 39 LYS C C 176.803 0.300 1 184 39 39 LYS CA C 55.892 0.300 1 185 39 39 LYS CB C 32.025 0.300 1 186 39 39 LYS N N 116.886 0.300 1 187 40 40 GLY H H 8.273 0.030 1 188 40 40 GLY C C 174.050 0.300 1 189 40 40 GLY CA C 45.097 0.300 1 190 40 40 GLY N N 108.994 0.300 1 191 41 41 GLN H H 8.137 0.030 1 192 41 41 GLN C C 173.793 0.300 1 193 41 41 GLN CA C 53.918 0.300 1 194 41 41 GLN CB C 27.181 0.300 1 195 41 41 GLN N N 121.641 0.300 1 196 42 42 VAL H H 7.119 0.030 1 197 42 42 VAL C C 172.926 0.300 1 198 42 42 VAL CA C 59.434 0.300 1 199 42 42 VAL CB C 32.415 0.300 1 200 42 42 VAL N N 121.558 0.300 1 201 43 43 SER H H 8.610 0.030 1 202 43 43 SER C C 174.570 0.300 1 203 43 43 SER CA C 55.305 0.300 1 204 43 43 SER CB C 66.122 0.300 1 205 43 43 SER N N 123.334 0.300 1 206 44 44 ARG H H 8.978 0.030 1 207 44 44 ARG C C 178.118 0.300 1 208 44 44 ARG CA C 60.084 0.300 1 209 44 44 ARG CB C 29.639 0.300 1 210 44 44 ARG N N 122.636 0.300 1 211 45 45 GLU H H 8.452 0.030 1 212 45 45 GLU C C 179.700 0.300 1 213 45 45 GLU CA C 59.422 0.300 1 214 45 45 GLU CB C 28.105 0.300 1 215 45 45 GLU N N 116.103 0.300 1 216 46 46 GLY H H 8.263 0.030 1 217 46 46 GLY C C 174.786 0.300 1 218 46 46 GLY CA C 47.432 0.300 1 219 46 46 GLY N N 109.340 0.300 1 220 47 47 PHE H H 8.819 0.030 1 221 47 47 PHE C C 177.262 0.300 1 222 47 47 PHE CA C 61.388 0.300 1 223 47 47 PHE CB C 39.294 0.300 1 224 47 47 PHE N N 123.753 0.300 1 225 48 48 LYS H H 8.228 0.030 1 226 48 48 LYS C C 179.269 0.300 1 227 48 48 LYS CA C 60.130 0.300 1 228 48 48 LYS CB C 30.311 0.300 1 229 48 48 LYS N N 116.708 0.300 1 230 49 49 LEU H H 7.368 0.030 1 231 49 49 LEU C C 179.370 0.300 1 232 49 49 LEU CA C 58.171 0.300 1 233 49 49 LEU CB C 41.642 0.300 1 234 49 49 LEU N N 121.109 0.300 1 235 50 50 VAL H H 7.945 0.030 1 236 50 50 VAL C C 176.522 0.300 1 237 50 50 VAL CA C 65.034 0.300 1 238 50 50 VAL CB C 30.129 0.300 1 239 50 50 VAL N N 120.199 0.300 1 240 51 51 MET H H 7.856 0.030 1 241 51 51 MET C C 178.603 0.300 1 242 51 51 MET CA C 56.298 0.300 1 243 51 51 MET CB C 27.393 0.300 1 244 51 51 MET N N 119.779 0.300 1 245 52 52 ALA H H 8.104 0.030 1 246 52 52 ALA C C 179.341 0.300 1 247 52 52 ALA CA C 54.206 0.300 1 248 52 52 ALA CB C 17.831 0.300 1 249 52 52 ALA N N 121.651 0.300 1 250 53 53 SER H H 7.557 0.030 1 251 53 53 SER CA C 62.968 0.300 1 252 53 53 SER N N 112.958 0.300 1 253 54 54 LEU C C 178.617 0.300 1 254 54 54 LEU CA C 57.508 0.300 1 255 55 55 TYR H H 8.316 0.030 1 256 55 55 TYR C C 177.851 0.300 1 257 55 55 TYR CA C 62.640 0.300 1 258 55 55 TYR CB C 35.826 0.300 1 259 55 55 TYR N N 120.866 0.300 1 260 56 56 HIS H H 7.328 0.030 1 261 56 56 HIS C C 178.920 0.300 1 262 56 56 HIS CA C 59.469 0.300 1 263 56 56 HIS CB C 30.670 0.300 1 264 56 56 HIS N N 120.908 0.300 1 265 58 58 TYR C C 178.835 0.300 1 266 58 58 TYR CA C 63.148 0.300 1 267 58 58 TYR CB C 36.494 0.300 1 268 59 59 THR H H 7.651 0.030 1 269 59 59 THR C C 176.447 0.300 1 270 59 59 THR CA C 67.880 0.300 1 271 59 59 THR N N 116.735 0.300 1 272 60 60 ALA H H 7.111 0.030 1 273 60 60 ALA C C 178.276 0.300 1 274 60 60 ALA CA C 54.752 0.300 1 275 60 60 ALA CB C 19.416 0.300 1 276 60 60 ALA N N 122.981 0.300 1 277 61 61 LEU H H 8.595 0.030 1 278 61 61 LEU C C 178.409 0.300 1 279 61 61 LEU CA C 57.784 0.300 1 280 61 61 LEU CB C 41.575 0.300 1 281 61 61 LEU N N 118.799 0.300 1 282 62 62 GLU H H 8.760 0.030 1 283 62 62 GLU C C 179.596 0.300 1 284 62 62 GLU CA C 59.058 0.300 1 285 62 62 GLU CB C 26.359 0.300 1 286 62 62 GLU N N 116.151 0.300 1 287 63 63 GLU H H 7.958 0.030 1 288 63 63 GLU C C 180.107 0.300 1 289 63 63 GLU CA C 59.469 0.300 1 290 63 63 GLU CB C 29.243 0.300 1 291 63 63 GLU N N 123.788 0.300 1 292 64 64 GLU H H 7.653 0.030 1 293 64 64 GLU C C 180.291 0.300 1 294 64 64 GLU CA C 56.983 0.300 1 295 64 64 GLU CB C 27.748 0.300 1 296 64 64 GLU N N 118.634 0.300 1 297 65 65 ILE H H 8.823 0.030 1 298 65 65 ILE C C 177.650 0.300 1 299 65 65 ILE CA C 66.123 0.300 1 300 65 65 ILE CB C 37.587 0.300 1 301 65 65 ILE N N 124.988 0.300 1 302 66 66 GLU H H 8.038 0.030 1 303 66 66 GLU C C 179.856 0.300 1 304 66 66 GLU CA C 58.959 0.300 1 305 66 66 GLU CB C 28.331 0.300 1 306 66 66 GLU N N 117.823 0.300 1 307 67 67 ARG H H 7.648 0.030 1 308 67 67 ARG C C 177.787 0.300 1 309 67 67 ARG CA C 58.528 0.300 1 310 67 67 ARG CB C 29.930 0.300 1 311 67 67 ARG N N 117.775 0.300 1 312 68 68 ASN H H 7.336 0.030 1 313 68 68 ASN C C 176.407 0.300 1 314 68 68 ASN CA C 53.968 0.300 1 315 68 68 ASN CB C 40.531 0.300 1 316 68 68 ASN N N 115.068 0.300 1 317 69 69 LYS H H 7.098 0.030 1 318 69 69 LYS C C 175.419 0.300 1 319 69 69 LYS CA C 59.745 0.300 1 320 69 69 LYS CB C 30.555 0.300 1 321 69 69 LYS N N 119.945 0.300 1 322 70 70 GLN H H 8.183 0.030 1 323 70 70 GLN C C 176.343 0.300 1 324 70 70 GLN CA C 54.325 0.300 1 325 70 70 GLN CB C 28.390 0.300 1 326 70 70 GLN N N 115.926 0.300 1 327 71 71 ASN H H 7.953 0.030 1 328 71 71 ASN C C 175.666 0.300 1 329 71 71 ASN CA C 51.002 0.300 1 330 71 71 ASN CB C 39.289 0.300 1 331 71 71 ASN N N 124.706 0.300 1 332 72 72 PRO C C 176.973 0.300 1 333 72 72 PRO CA C 65.160 0.300 1 334 72 72 PRO CB C 31.939 0.300 1 335 73 73 VAL H H 7.640 0.030 1 336 73 73 VAL C C 174.123 0.300 1 337 73 73 VAL CA C 62.367 0.300 1 338 73 73 VAL CB C 30.274 0.300 1 339 73 73 VAL N N 109.683 0.300 1 340 74 74 TYR H H 8.410 0.030 1 341 74 74 TYR C C 173.045 0.300 1 342 74 74 TYR CA C 59.978 0.300 1 343 74 74 TYR CB C 42.012 0.300 1 344 74 74 TYR N N 119.706 0.300 1 345 75 75 ALA H H 8.426 0.030 1 346 75 75 ALA C C 175.418 0.300 1 347 75 75 ALA CA C 56.975 0.300 1 348 75 75 ALA CB C 16.950 0.300 1 349 75 75 ALA N N 119.697 0.300 1 350 76 76 PRO C C 175.212 0.300 1 351 76 76 PRO CA C 64.904 0.300 1 352 76 76 PRO CB C 30.658 0.300 1 353 77 77 LEU H H 8.251 0.030 1 354 77 77 LEU C C 176.211 0.300 1 355 77 77 LEU CA C 52.186 0.300 1 356 77 77 LEU CB C 38.489 0.300 1 357 77 77 LEU N N 112.968 0.300 1 358 78 78 TYR H H 7.383 0.030 1 359 78 78 TYR C C 173.612 0.300 1 360 78 78 TYR CA C 57.781 0.300 1 361 78 78 TYR CB C 37.508 0.300 1 362 78 78 TYR N N 122.127 0.300 1 363 79 79 PHE H H 8.274 0.030 1 364 79 79 PHE C C 171.989 0.300 1 365 79 79 PHE CA C 55.660 0.300 1 366 79 79 PHE CB C 40.053 0.300 1 367 79 79 PHE N N 129.782 0.300 1 368 80 80 PRO C C 179.821 0.300 1 369 80 80 PRO CA C 63.825 0.300 1 370 80 80 PRO CB C 30.512 0.300 1 371 81 81 GLU H H 7.815 0.030 1 372 81 81 GLU C C 178.490 0.300 1 373 81 81 GLU CA C 58.688 0.300 1 374 81 81 GLU CB C 28.461 0.300 1 375 81 81 GLU N N 118.070 0.300 1 376 82 82 GLU H H 9.033 0.030 1 377 82 82 GLU C C 177.400 0.300 1 378 82 82 GLU CA C 60.434 0.300 1 379 82 82 GLU CB C 28.093 0.300 1 380 82 82 GLU N N 116.929 0.300 1 381 83 83 LEU H H 7.558 0.030 1 382 83 83 LEU C C 178.763 0.300 1 383 83 83 LEU CA C 54.885 0.300 1 384 83 83 LEU CB C 43.122 0.300 1 385 83 83 LEU N N 110.442 0.300 1 386 84 84 HIS H H 7.276 0.030 1 387 84 84 HIS C C 178.582 0.300 1 388 84 84 HIS CA C 58.046 0.300 1 389 84 84 HIS CB C 27.498 0.300 1 390 84 84 HIS N N 117.744 0.300 1 391 85 85 ARG H H 12.722 0.030 1 392 85 85 ARG C C 177.698 0.300 1 393 85 85 ARG CA C 55.341 0.300 1 394 85 85 ARG CB C 36.460 0.300 1 395 85 85 ARG N N 126.495 0.300 1 396 86 86 ARG H H 9.744 0.030 1 397 86 86 ARG C C 177.385 0.300 1 398 86 86 ARG CA C 61.805 0.300 1 399 86 86 ARG CB C 28.846 0.300 1 400 86 86 ARG N N 124.587 0.300 1 401 87 87 ALA H H 8.305 0.030 1 402 87 87 ALA C C 180.796 0.300 1 403 87 87 ALA CA C 54.934 0.300 1 404 87 87 ALA CB C 16.744 0.300 1 405 87 87 ALA N N 119.245 0.300 1 406 88 88 ALA H H 7.735 0.030 1 407 88 88 ALA C C 179.501 0.300 1 408 88 88 ALA CA C 54.204 0.300 1 409 88 88 ALA CB C 16.675 0.300 1 410 88 88 ALA N N 123.538 0.300 1 411 89 89 LEU H H 8.509 0.030 1 412 89 89 LEU C C 179.189 0.300 1 413 89 89 LEU CA C 57.888 0.300 1 414 89 89 LEU CB C 41.814 0.300 1 415 89 89 LEU N N 117.876 0.300 1 416 90 90 GLU H H 8.540 0.030 1 417 90 90 GLU C C 179.843 0.300 1 418 90 90 GLU CA C 59.627 0.300 1 419 90 90 GLU CB C 28.370 0.300 1 420 90 90 GLU N N 120.013 0.300 1 421 91 91 GLN H H 7.361 0.030 1 422 91 91 GLN C C 179.575 0.300 1 423 91 91 GLN CA C 58.471 0.300 1 424 91 91 GLN CB C 27.163 0.300 1 425 91 91 GLN N N 119.812 0.300 1 426 92 92 ASP H H 8.406 0.030 1 427 92 92 ASP C C 178.905 0.300 1 428 92 92 ASP CA C 57.785 0.300 1 429 92 92 ASP CB C 39.184 0.300 1 430 92 92 ASP N N 123.097 0.300 1 431 93 93 MET H H 8.958 0.030 1 432 93 93 MET C C 178.540 0.300 1 433 93 93 MET CA C 56.883 0.300 1 434 93 93 MET CB C 33.589 0.300 1 435 93 93 MET N N 121.967 0.300 1 436 94 94 ALA H H 6.794 0.030 1 437 94 94 ALA C C 180.844 0.300 1 438 94 94 ALA CA C 53.521 0.300 1 439 94 94 ALA CB C 16.568 0.300 1 440 94 94 ALA N N 121.492 0.300 1 441 95 95 PHE H H 7.582 0.030 1 442 95 95 PHE C C 177.615 0.300 1 443 95 95 PHE CA C 61.305 0.300 1 444 95 95 PHE CB C 38.024 0.300 1 445 95 95 PHE N N 120.107 0.300 1 446 96 96 TRP H H 8.842 0.030 1 447 96 96 TRP HE1 H 11.374 0.030 1 448 96 96 TRP CA C 59.595 0.300 1 449 96 96 TRP CB C 31.293 0.300 1 450 96 96 TRP N N 118.275 0.300 1 451 96 96 TRP NE1 N 131.064 0.300 1 452 97 97 TYR H H 9.177 0.030 1 453 97 97 TYR C C 176.953 0.300 1 454 97 97 TYR CA C 58.555 0.300 1 455 97 97 TYR CB C 39.287 0.300 1 456 97 97 TYR N N 114.864 0.300 1 457 98 98 GLY H H 7.365 0.030 1 458 98 98 GLY C C 171.768 0.300 1 459 98 98 GLY CA C 45.177 0.300 1 460 98 98 GLY N N 111.393 0.300 1 461 99 99 PRO C C 178.394 0.300 1 462 99 99 PRO CA C 64.167 0.300 1 463 99 99 PRO CB C 31.094 0.300 1 464 100 100 HIS H H 8.661 0.030 1 465 100 100 HIS C C 176.067 0.300 1 466 100 100 HIS CA C 53.978 0.300 1 467 100 100 HIS CB C 27.152 0.300 1 468 100 100 HIS N N 118.895 0.300 1 469 101 101 TRP H H 7.229 0.030 1 470 101 101 TRP HE1 H 10.064 0.030 1 471 101 101 TRP C C 177.101 0.300 1 472 101 101 TRP CA C 58.806 0.300 1 473 101 101 TRP CB C 28.619 0.300 1 474 101 101 TRP N N 119.786 0.300 1 475 101 101 TRP NE1 N 130.928 0.300 1 476 102 102 GLN H H 7.707 0.030 1 477 102 102 GLN C C 177.909 0.300 1 478 102 102 GLN CA C 60.099 0.300 1 479 102 102 GLN CB C 26.428 0.300 1 480 102 102 GLN N N 121.751 0.300 1 481 103 103 GLU H H 7.446 0.030 1 482 103 103 GLU C C 176.200 0.300 1 483 103 103 GLU CA C 56.290 0.300 1 484 103 103 GLU CB C 29.282 0.300 1 485 103 103 GLU N N 114.805 0.300 1 486 104 104 ALA H H 7.522 0.030 1 487 104 104 ALA C C 178.595 0.300 1 488 104 104 ALA CA C 52.249 0.300 1 489 104 104 ALA CB C 21.510 0.300 1 490 104 104 ALA N N 121.842 0.300 1 491 105 105 ILE H H 7.421 0.030 1 492 105 105 ILE C C 174.321 0.300 1 493 105 105 ILE CA C 60.172 0.300 1 494 105 105 ILE CB C 37.332 0.300 1 495 105 105 ILE N N 113.238 0.300 1 496 106 106 PRO C C 176.771 0.300 1 497 106 106 PRO CA C 62.091 0.300 1 498 106 106 PRO CB C 31.903 0.300 1 499 107 107 TYR H H 8.771 0.030 1 500 107 107 TYR C C 175.452 0.300 1 501 107 107 TYR CA C 52.766 0.300 1 502 107 107 TYR CB C 36.357 0.300 1 503 107 107 TYR N N 124.741 0.300 1 504 108 108 THR H H 8.903 0.030 1 505 108 108 THR C C 173.620 0.300 1 506 108 108 THR CA C 61.876 0.300 1 507 108 108 THR CB C 65.858 0.300 1 508 108 108 THR N N 118.268 0.300 1 509 109 109 PRO C C 179.463 0.300 1 510 109 109 PRO CA C 66.320 0.300 1 511 109 109 PRO CB C 30.988 0.300 1 512 110 110 ALA H H 10.589 0.030 1 513 110 110 ALA C C 181.612 0.300 1 514 110 110 ALA CA C 55.060 0.300 1 515 110 110 ALA CB C 16.316 0.300 1 516 110 110 ALA N N 122.987 0.300 1 517 111 111 THR H H 7.731 0.030 1 518 111 111 THR C C 176.566 0.300 1 519 111 111 THR CA C 67.638 0.300 1 520 111 111 THR CB C 66.597 0.300 1 521 111 111 THR N N 120.260 0.300 1 522 112 112 GLN H H 8.456 0.030 1 523 112 112 GLN C C 179.269 0.300 1 524 112 112 GLN CA C 58.556 0.300 1 525 112 112 GLN CB C 26.943 0.300 1 526 112 112 GLN N N 122.378 0.300 1 527 113 113 HIS H H 8.183 0.030 1 528 113 113 HIS C C 176.676 0.300 1 529 113 113 HIS CA C 57.695 0.300 1 530 113 113 HIS CB C 29.084 0.300 1 531 113 113 HIS N N 119.022 0.300 1 532 114 114 TYR H H 7.585 0.030 1 533 114 114 TYR C C 178.767 0.300 1 534 114 114 TYR CA C 58.380 0.300 1 535 114 114 TYR CB C 37.372 0.300 1 536 114 114 TYR N N 123.368 0.300 1 537 115 115 VAL H H 8.649 0.030 1 538 115 115 VAL C C 177.238 0.300 1 539 115 115 VAL CA C 67.321 0.300 1 540 115 115 VAL CB C 31.265 0.300 1 541 115 115 VAL N N 120.976 0.300 1 542 116 116 LYS H H 8.330 0.030 1 543 116 116 LYS C C 180.000 0.300 1 544 116 116 LYS CA C 59.434 0.300 1 545 116 116 LYS CB C 31.424 0.300 1 546 116 116 LYS N N 118.473 0.300 1 547 117 117 ARG H H 7.724 0.030 1 548 117 117 ARG C C 178.180 0.300 1 549 117 117 ARG CA C 56.834 0.300 1 550 117 117 ARG CB C 28.212 0.300 1 551 117 117 ARG N N 120.008 0.300 1 552 118 118 LEU H H 8.041 0.030 1 553 118 118 LEU C C 179.449 0.300 1 554 118 118 LEU CA C 57.766 0.300 1 555 118 118 LEU CB C 41.020 0.300 1 556 118 118 LEU N N 119.499 0.300 1 557 119 119 HIS H H 7.973 0.030 1 558 119 119 HIS C C 178.144 0.300 1 559 119 119 HIS CA C 57.978 0.300 1 560 119 119 HIS CB C 27.571 0.300 1 561 119 119 HIS N N 115.088 0.300 1 562 120 120 GLU H H 8.407 0.030 1 563 120 120 GLU C C 179.724 0.300 1 564 120 120 GLU CA C 59.286 0.300 1 565 120 120 GLU CB C 29.322 0.300 1 566 120 120 GLU N N 124.250 0.300 1 567 121 121 VAL H H 8.606 0.030 1 568 121 121 VAL C C 178.106 0.300 1 569 121 121 VAL CA C 66.134 0.300 1 570 121 121 VAL CB C 30.524 0.300 1 571 121 121 VAL N N 119.227 0.300 1 572 122 122 GLY H H 8.383 0.030 1 573 122 122 GLY C C 175.344 0.300 1 574 122 122 GLY CA C 46.710 0.300 1 575 122 122 GLY N N 104.106 0.300 1 576 123 123 GLY H H 7.646 0.030 1 577 123 123 GLY C C 175.384 0.300 1 578 123 123 GLY CA C 45.715 0.300 1 579 123 123 GLY N N 103.046 0.300 1 580 124 124 THR H H 7.568 0.030 1 581 124 124 THR C C 173.493 0.300 1 582 124 124 THR CA C 62.950 0.300 1 583 124 124 THR CB C 70.703 0.300 1 584 124 124 THR N N 112.169 0.300 1 585 125 125 HIS H H 8.202 0.030 1 586 125 125 HIS C C 172.845 0.300 1 587 125 125 HIS CA C 53.228 0.300 1 588 125 125 HIS CB C 30.274 0.300 1 589 125 125 HIS N N 119.595 0.300 1 590 126 126 PRO C C 178.007 0.300 1 591 126 126 PRO CA C 65.265 0.300 1 592 126 126 PRO CB C 30.146 0.300 1 593 127 127 GLU H H 10.664 0.030 1 594 127 127 GLU C C 175.477 0.300 1 595 127 127 GLU CA C 58.400 0.300 1 596 127 127 GLU CB C 26.290 0.300 1 597 127 127 GLU N N 123.638 0.300 1 598 128 128 LEU H H 8.493 0.030 1 599 128 128 LEU C C 179.893 0.300 1 600 128 128 LEU CA C 54.207 0.300 1 601 128 128 LEU CB C 40.332 0.300 1 602 128 128 LEU N N 115.087 0.300 1 603 129 129 LEU H H 8.178 0.030 1 604 129 129 LEU C C 179.481 0.300 1 605 129 129 LEU CA C 58.292 0.300 1 606 129 129 LEU CB C 40.981 0.300 1 607 129 129 LEU N N 124.252 0.300 1 608 130 130 VAL H H 8.677 0.030 1 609 130 130 VAL C C 175.447 0.300 1 610 130 130 VAL CA C 64.739 0.300 1 611 130 130 VAL CB C 30.036 0.300 1 612 130 130 VAL N N 117.580 0.300 1 613 131 131 ALA H H 7.250 0.030 1 614 131 131 ALA C C 180.168 0.300 1 615 131 131 ALA CA C 54.989 0.300 1 616 131 131 ALA CB C 18.774 0.300 1 617 131 131 ALA N N 121.306 0.300 1 618 132 132 HIS H H 7.463 0.030 1 619 132 132 HIS C C 177.862 0.300 1 620 132 132 HIS CA C 60.294 0.300 1 621 132 132 HIS CB C 32.296 0.300 1 622 132 132 HIS N N 117.869 0.300 1 623 133 133 ALA H H 8.528 0.030 1 624 133 133 ALA C C 177.666 0.300 1 625 133 133 ALA CA C 54.814 0.300 1 626 133 133 ALA CB C 18.100 0.300 1 627 133 133 ALA N N 124.119 0.300 1 628 134 134 TYR H H 8.694 0.030 1 629 134 134 TYR C C 175.763 0.300 1 630 134 134 TYR CA C 61.419 0.300 1 631 134 134 TYR CB C 38.641 0.300 1 632 134 134 TYR N N 118.816 0.300 1 633 135 135 THR H H 7.294 0.030 1 634 135 135 THR C C 175.653 0.300 1 635 135 135 THR CA C 67.331 0.300 1 636 135 135 THR CB C 69.325 0.300 1 637 135 135 THR N N 112.674 0.300 1 638 136 136 ARG H H 6.861 0.030 1 639 136 136 ARG C C 177.825 0.300 1 640 136 136 ARG CA C 53.907 0.300 1 641 136 136 ARG CB C 25.714 0.300 1 642 136 136 ARG N N 112.164 0.300 1 643 137 137 TYR H H 8.457 0.030 1 644 137 137 TYR C C 178.643 0.300 1 645 137 137 TYR CA C 60.990 0.300 1 646 137 137 TYR CB C 36.897 0.300 1 647 137 137 TYR N N 117.170 0.300 1 648 138 138 LEU H H 7.549 0.030 1 649 138 138 LEU C C 179.168 0.300 1 650 138 138 LEU CA C 58.234 0.300 1 651 138 138 LEU CB C 37.260 0.300 1 652 138 138 LEU N N 113.755 0.300 1 653 139 139 GLY H H 5.962 0.030 1 654 139 139 GLY C C 175.928 0.300 1 655 139 139 GLY CA C 44.091 0.300 1 656 139 139 GLY N N 106.608 0.300 1 657 140 140 ASP H H 7.282 0.030 1 658 140 140 ASP C C 177.603 0.300 1 659 140 140 ASP CA C 56.424 0.300 1 660 140 140 ASP CB C 39.444 0.300 1 661 140 140 ASP N N 126.996 0.300 1 662 141 141 LEU H H 6.044 0.030 1 663 141 141 LEU CA C 53.830 0.300 1 664 141 141 LEU CB C 41.762 0.300 1 665 141 141 LEU N N 114.596 0.300 1 666 143 143 GLY H H 5.357 0.030 1 667 143 143 GLY C C 174.158 0.300 1 668 143 143 GLY CA C 42.821 0.300 1 669 143 143 GLY N N 113.945 0.300 1 670 144 144 GLY H H 6.605 0.030 1 671 144 144 GLY C C 174.356 0.300 1 672 144 144 GLY CA C 46.864 0.300 1 673 144 144 GLY N N 105.644 0.300 1 674 145 145 GLN H H 5.957 0.030 1 675 145 145 GLN C C 178.156 0.300 1 676 145 145 GLN CA C 56.149 0.300 1 677 145 145 GLN CB C 27.142 0.300 1 678 145 145 GLN N N 114.356 0.300 1 679 146 146 VAL H H 6.503 0.030 1 680 146 146 VAL C C 178.546 0.300 1 681 146 146 VAL CA C 64.887 0.300 1 682 146 146 VAL CB C 31.164 0.300 1 683 146 146 VAL N N 120.980 0.300 1 684 147 147 LEU H H 7.495 0.030 1 685 147 147 LEU C C 178.312 0.300 1 686 147 147 LEU CA C 56.742 0.300 1 687 147 147 LEU CB C 39.188 0.300 1 688 147 147 LEU N N 118.227 0.300 1 689 148 148 LYS H H 7.528 0.030 1 690 148 148 LYS C C 177.001 0.300 1 691 148 148 LYS CA C 59.400 0.300 1 692 148 148 LYS CB C 31.741 0.300 1 693 148 148 LYS N N 117.882 0.300 1 694 149 149 LYS H H 6.540 0.030 1 695 149 149 LYS C C 179.632 0.300 1 696 149 149 LYS CA C 58.309 0.300 1 697 149 149 LYS CB C 31.543 0.300 1 698 149 149 LYS N N 115.907 0.300 1 699 150 150 ILE H H 7.251 0.030 1 700 150 150 ILE C C 178.270 0.300 1 701 150 150 ILE CA C 63.913 0.300 1 702 150 150 ILE CB C 37.888 0.300 1 703 150 150 ILE N N 120.068 0.300 1 704 151 151 ALA H H 8.700 0.030 1 705 151 151 ALA C C 178.514 0.300 1 706 151 151 ALA CA C 54.972 0.300 1 707 151 151 ALA CB C 17.386 0.300 1 708 151 151 ALA N N 122.612 0.300 1 709 152 152 GLN H H 7.815 0.030 1 710 152 152 GLN C C 177.654 0.300 1 711 152 152 GLN CA C 59.328 0.300 1 712 152 152 GLN CB C 27.934 0.300 1 713 152 152 GLN N N 115.329 0.300 1 714 153 153 LYS H H 7.087 0.030 1 715 153 153 LYS C C 179.576 0.300 1 716 153 153 LYS CA C 57.835 0.300 1 717 153 153 LYS CB C 32.296 0.300 1 718 153 153 LYS N N 116.451 0.300 1 719 154 154 ALA H H 8.895 0.030 1 720 154 154 ALA C C 179.574 0.300 1 721 154 154 ALA CA C 54.621 0.300 1 722 154 154 ALA CB C 18.418 0.300 1 723 154 154 ALA N N 122.258 0.300 1 724 155 155 MET H H 7.617 0.030 1 725 155 155 MET C C 173.954 0.300 1 726 155 155 MET CA C 54.656 0.300 1 727 155 155 MET CB C 33.208 0.300 1 728 155 155 MET N N 112.536 0.300 1 729 156 156 ALA H H 7.539 0.030 1 730 156 156 ALA C C 176.659 0.300 1 731 156 156 ALA CA C 52.278 0.300 1 732 156 156 ALA CB C 15.723 0.300 1 733 156 156 ALA N N 123.269 0.300 1 734 157 157 LEU H H 7.870 0.030 1 735 157 157 LEU C C 175.157 0.300 1 736 157 157 LEU CA C 52.798 0.300 1 737 157 157 LEU CB C 40.520 0.300 1 738 157 157 LEU N N 120.001 0.300 1 739 159 159 SER C C 174.853 0.300 1 740 159 159 SER CA C 60.193 0.300 1 741 159 159 SER CB C 62.616 0.300 1 742 160 160 SER H H 7.567 0.030 1 743 160 160 SER C C 176.197 0.300 1 744 160 160 SER CA C 58.132 0.300 1 745 160 160 SER CB C 62.672 0.300 1 746 160 160 SER N N 113.879 0.300 1 747 161 161 GLY H H 7.367 0.030 1 748 161 161 GLY C C 174.523 0.300 1 749 161 161 GLY CA C 45.523 0.300 1 750 161 161 GLY N N 109.083 0.300 1 751 162 162 GLU H H 8.227 0.030 1 752 162 162 GLU C C 175.031 0.300 1 753 162 162 GLU CA C 58.370 0.300 1 754 162 162 GLU CB C 28.472 0.300 1 755 162 162 GLU N N 123.564 0.300 1 756 163 163 GLY H H 8.516 0.030 1 757 163 163 GLY C C 173.819 0.300 1 758 163 163 GLY CA C 44.884 0.300 1 759 163 163 GLY N N 109.533 0.300 1 760 164 164 LEU H H 7.334 0.030 1 761 164 164 LEU C C 179.054 0.300 1 762 164 164 LEU CA C 52.865 0.300 1 763 164 164 LEU CB C 42.130 0.300 1 764 164 164 LEU N N 119.136 0.300 1 765 165 165 ALA H H 11.367 0.030 1 766 165 165 ALA C C 181.872 0.300 1 767 165 165 ALA CA C 56.149 0.300 1 768 165 165 ALA CB C 16.434 0.300 1 769 165 165 ALA N N 136.295 0.300 1 770 166 166 PHE H H 10.870 0.030 1 771 166 166 PHE C C 175.493 0.300 1 772 166 166 PHE CA C 60.400 0.300 1 773 166 166 PHE CB C 39.633 0.300 1 774 166 166 PHE N N 121.472 0.300 1 775 167 167 PHE H H 7.005 0.030 1 776 167 167 PHE C C 174.260 0.300 1 777 167 167 PHE CA C 57.242 0.300 1 778 167 167 PHE CB C 39.656 0.300 1 779 167 167 PHE N N 112.326 0.300 1 780 168 168 THR H H 7.567 0.030 1 781 168 168 THR C C 172.122 0.300 1 782 168 168 THR CA C 62.255 0.300 1 783 168 168 THR CB C 69.217 0.300 1 784 168 168 THR N N 117.907 0.300 1 785 169 169 PHE H H 9.059 0.030 1 786 169 169 PHE CA C 54.656 0.300 1 787 169 169 PHE CB C 38.046 0.300 1 788 169 169 PHE N N 128.847 0.300 1 789 170 170 PRO C C 178.148 0.300 1 790 170 170 PRO CA C 63.981 0.300 1 791 170 170 PRO CB C 31.307 0.300 1 792 171 171 SER H H 8.273 0.030 1 793 171 171 SER C C 173.059 0.300 1 794 171 171 SER CA C 58.278 0.300 1 795 171 171 SER CB C 63.063 0.300 1 796 171 171 SER N N 112.223 0.300 1 797 172 172 ILE H H 7.410 0.030 1 798 172 172 ILE C C 174.047 0.300 1 799 172 172 ILE CA C 60.102 0.300 1 800 172 172 ILE CB C 37.848 0.300 1 801 172 172 ILE N N 121.321 0.300 1 802 173 173 ASP H H 8.342 0.030 1 803 173 173 ASP C C 176.975 0.300 1 804 173 173 ASP CA C 55.288 0.300 1 805 173 173 ASP CB C 40.029 0.300 1 806 173 173 ASP N N 126.373 0.300 1 807 174 174 ASN H H 7.827 0.030 1 808 174 174 ASN CA C 49.992 0.300 1 809 174 174 ASN CB C 38.971 0.300 1 810 174 174 ASN N N 115.616 0.300 1 811 175 175 PRO C C 177.171 0.300 1 812 175 175 PRO CA C 65.231 0.300 1 813 175 175 PRO CB C 31.543 0.300 1 814 176 176 THR H H 7.953 0.030 1 815 176 176 THR C C 176.597 0.300 1 816 176 176 THR CA C 66.924 0.300 1 817 176 176 THR CB C 67.815 0.300 1 818 176 176 THR N N 115.471 0.300 1 819 177 177 LYS H H 7.441 0.030 1 820 177 177 LYS C C 179.445 0.300 1 821 177 177 LYS CA C 58.441 0.300 1 822 177 177 LYS CB C 31.625 0.300 1 823 177 177 LYS N N 122.824 0.300 1 824 178 178 PHE H H 8.259 0.030 1 825 178 178 PHE C C 177.242 0.300 1 826 178 178 PHE CA C 62.142 0.300 1 827 178 178 PHE CB C 39.117 0.300 1 828 178 178 PHE N N 121.373 0.300 1 829 179 179 LYS H H 8.432 0.030 1 830 179 179 LYS C C 178.350 0.300 1 831 179 179 LYS CA C 60.945 0.300 1 832 179 179 LYS CB C 31.265 0.300 1 833 179 179 LYS N N 118.134 0.300 1 834 180 180 GLN H H 7.424 0.030 1 835 180 180 GLN C C 178.935 0.300 1 836 180 180 GLN CA C 58.748 0.300 1 837 180 180 GLN CB C 27.300 0.300 1 838 180 180 GLN N N 117.259 0.300 1 839 181 181 LEU H H 7.509 0.030 1 840 181 181 LEU C C 177.823 0.300 1 841 181 181 LEU CA C 57.502 0.300 1 842 181 181 LEU CB C 40.069 0.300 1 843 181 181 LEU N N 124.586 0.300 1 844 182 182 TYR H H 8.510 0.030 1 845 182 182 TYR C C 178.600 0.300 1 846 182 182 TYR CA C 62.472 0.300 1 847 182 182 TYR CB C 38.561 0.300 1 848 182 182 TYR N N 122.565 0.300 1 849 183 183 ARG H H 8.484 0.030 1 850 183 183 ARG C C 177.752 0.300 1 851 183 183 ARG CA C 60.031 0.300 1 852 183 183 ARG CB C 29.679 0.300 1 853 183 183 ARG N N 116.803 0.300 1 854 184 184 ALA H H 7.788 0.030 1 855 184 184 ALA C C 182.080 0.300 1 856 184 184 ALA CA C 54.937 0.300 1 857 184 184 ALA CB C 16.950 0.300 1 858 184 184 ALA N N 120.589 0.300 1 859 185 185 ARG H H 8.505 0.030 1 860 185 185 ARG C C 181.320 0.300 1 861 185 185 ARG CA C 57.062 0.300 1 862 185 185 ARG CB C 29.005 0.300 1 863 185 185 ARG N N 118.384 0.300 1 864 186 186 MET H H 8.508 0.030 1 865 186 186 MET C C 177.753 0.300 1 866 186 186 MET CA C 59.733 0.300 1 867 186 186 MET CB C 32.772 0.300 1 868 186 186 MET N N 121.839 0.300 1 869 187 187 ASN H H 7.654 0.030 1 870 187 187 ASN C C 175.952 0.300 1 871 187 187 ASN CA C 53.934 0.300 1 872 187 187 ASN CB C 36.912 0.300 1 873 187 187 ASN N N 117.575 0.300 1 874 188 188 THR H H 7.608 0.030 1 875 188 188 THR C C 175.498 0.300 1 876 188 188 THR CA C 61.948 0.300 1 877 188 188 THR CB C 70.133 0.300 1 878 188 188 THR N N 110.390 0.300 1 879 189 189 LEU H H 7.019 0.030 1 880 189 189 LEU C C 177.351 0.300 1 881 189 189 LEU CA C 54.960 0.300 1 882 189 189 LEU CB C 40.594 0.300 1 883 189 189 LEU N N 122.041 0.300 1 884 190 190 GLU H H 8.686 0.030 1 885 190 190 GLU C C 175.445 0.300 1 886 190 190 GLU CA C 55.939 0.300 1 887 190 190 GLU CB C 28.722 0.300 1 888 190 190 GLU N N 126.641 0.300 1 889 191 191 MET H H 8.216 0.030 1 890 191 191 MET C C 175.550 0.300 1 891 191 191 MET CA C 54.227 0.300 1 892 191 191 MET CB C 35.617 0.300 1 893 191 191 MET N N 123.564 0.300 1 894 192 192 THR H H 7.933 0.030 1 895 192 192 THR C C 173.715 0.300 1 896 192 192 THR CA C 59.686 0.300 1 897 192 192 THR CB C 67.962 0.300 1 898 192 192 THR N N 114.077 0.300 1 899 193 193 PRO C C 179.287 0.300 1 900 193 193 PRO CA C 65.652 0.300 1 901 193 193 PRO CB C 30.988 0.300 1 902 194 194 GLU H H 8.515 0.030 1 903 194 194 GLU C C 179.278 0.300 1 904 194 194 GLU CA C 59.698 0.300 1 905 194 194 GLU CB C 28.291 0.300 1 906 194 194 GLU N N 117.553 0.300 1 907 195 195 VAL H H 7.507 0.030 1 908 195 195 VAL C C 177.481 0.300 1 909 195 195 VAL CA C 66.671 0.300 1 910 195 195 VAL CB C 31.027 0.300 1 911 195 195 VAL N N 122.608 0.300 1 912 196 196 LYS H H 8.542 0.030 1 913 196 196 LYS C C 178.688 0.300 1 914 196 196 LYS CA C 60.410 0.300 1 915 196 196 LYS CB C 31.573 0.300 1 916 196 196 LYS N N 121.238 0.300 1 917 197 197 HIS H H 8.012 0.030 1 918 197 197 HIS C C 177.532 0.300 1 919 197 197 HIS CA C 59.163 0.300 1 920 197 197 HIS CB C 29.189 0.300 1 921 197 197 HIS N N 117.397 0.300 1 922 198 198 ARG H H 7.751 0.030 1 923 198 198 ARG C C 179.868 0.300 1 924 198 198 ARG CA C 59.577 0.300 1 925 198 198 ARG CB C 29.322 0.300 1 926 198 198 ARG N N 119.970 0.300 1 927 199 199 VAL H H 8.980 0.030 1 928 199 199 VAL C C 177.945 0.300 1 929 199 199 VAL CA C 67.091 0.300 1 930 199 199 VAL CB C 30.641 0.300 1 931 199 199 VAL N N 122.912 0.300 1 932 200 200 THR H H 8.315 0.030 1 933 200 200 THR C C 177.249 0.300 1 934 200 200 THR CA C 66.048 0.300 1 935 200 200 THR CB C 67.370 0.300 1 936 200 200 THR N N 113.192 0.300 1 937 201 201 GLU H H 7.951 0.030 1 938 201 201 GLU C C 179.511 0.300 1 939 201 201 GLU CA C 58.605 0.300 1 940 201 201 GLU CB C 28.718 0.300 1 941 201 201 GLU N N 121.020 0.300 1 942 202 202 GLU H H 8.361 0.030 1 943 202 202 GLU C C 177.888 0.300 1 944 202 202 GLU CA C 57.270 0.300 1 945 202 202 GLU CB C 26.943 0.300 1 946 202 202 GLU N N 122.088 0.300 1 947 203 203 ALA H H 8.203 0.030 1 948 203 203 ALA C C 179.034 0.300 1 949 203 203 ALA CA C 54.691 0.300 1 950 203 203 ALA CB C 17.505 0.300 1 951 203 203 ALA N N 123.260 0.300 1 952 204 204 LYS H H 7.424 0.030 1 953 204 204 LYS C C 178.683 0.300 1 954 204 204 LYS CA C 61.243 0.300 1 955 204 204 LYS CB C 30.790 0.300 1 956 204 204 LYS N N 118.041 0.300 1 957 205 205 THR H H 8.055 0.030 1 958 205 205 THR C C 175.384 0.300 1 959 205 205 THR CA C 66.724 0.300 1 960 205 205 THR CB C 67.986 0.300 1 961 205 205 THR N N 118.050 0.300 1 962 206 206 ALA H H 8.967 0.030 1 963 206 206 ALA C C 181.302 0.300 1 964 206 206 ALA CA C 55.394 0.300 1 965 206 206 ALA CB C 17.148 0.300 1 966 206 206 ALA N N 124.640 0.300 1 967 207 207 PHE H H 8.602 0.030 1 968 207 207 PHE C C 179.145 0.300 1 969 207 207 PHE CA C 64.001 0.300 1 970 207 207 PHE CB C 39.819 0.300 1 971 207 207 PHE N N 119.673 0.300 1 972 208 208 LEU H H 8.578 0.030 1 973 208 208 LEU C C 179.322 0.300 1 974 208 208 LEU CA C 58.379 0.300 1 975 208 208 LEU CB C 39.870 0.300 1 976 208 208 LEU N N 121.171 0.300 1 977 209 209 LEU H H 8.492 0.030 1 978 209 209 LEU C C 180.212 0.300 1 979 209 209 LEU CA C 57.502 0.300 1 980 209 209 LEU CB C 39.394 0.300 1 981 209 209 LEU N N 121.523 0.300 1 982 210 210 ASN H H 7.321 0.030 1 983 210 210 ASN C C 175.298 0.300 1 984 210 210 ASN CA C 57.343 0.300 1 985 210 210 ASN CB C 39.950 0.300 1 986 210 210 ASN N N 118.781 0.300 1 987 211 211 ILE H H 8.542 0.030 1 988 211 211 ILE C C 177.652 0.300 1 989 211 211 ILE CA C 66.513 0.300 1 990 211 211 ILE CB C 37.650 0.300 1 991 211 211 ILE N N 120.535 0.300 1 992 212 212 GLU H H 8.640 0.030 1 993 212 212 GLU C C 180.035 0.300 1 994 212 212 GLU CA C 59.311 0.300 1 995 212 212 GLU CB C 28.489 0.300 1 996 212 212 GLU N N 119.167 0.300 1 997 213 213 LEU H H 7.317 0.030 1 998 213 213 LEU C C 177.733 0.300 1 999 213 213 LEU CA C 57.888 0.300 1 1000 213 213 LEU CB C 40.742 0.300 1 1001 213 213 LEU N N 122.309 0.300 1 1002 214 214 PHE H H 8.652 0.030 1 1003 214 214 PHE C C 180.912 0.300 1 1004 214 214 PHE CA C 58.204 0.300 1 1005 214 214 PHE CB C 36.539 0.300 1 1006 214 214 PHE N N 119.143 0.300 1 1007 215 215 GLU H H 9.000 0.030 1 1008 215 215 GLU C C 179.200 0.300 1 1009 215 215 GLU CA C 59.564 0.300 1 1010 215 215 GLU CB C 28.626 0.300 1 1011 215 215 GLU N N 121.905 0.300 1 1012 216 216 GLU H H 8.159 0.030 1 1013 216 216 GLU C C 179.056 0.300 1 1014 216 216 GLU CA C 59.269 0.300 1 1015 216 216 GLU CB C 29.764 0.300 1 1016 216 216 GLU N N 124.438 0.300 1 1017 217 217 LEU H H 9.006 0.030 1 1018 217 217 LEU C C 178.865 0.300 1 1019 217 217 LEU CA C 57.748 0.300 1 1020 217 217 LEU CB C 39.880 0.300 1 1021 217 217 LEU N N 118.675 0.300 1 1022 218 218 GLN H H 7.779 0.030 1 1023 218 218 GLN C C 178.677 0.300 1 1024 218 218 GLN CA C 57.915 0.300 1 1025 218 218 GLN CB C 27.800 0.300 1 1026 218 218 GLN N N 116.552 0.300 1 1027 219 219 ALA H H 7.614 0.030 1 1028 219 219 ALA C C 180.671 0.300 1 1029 219 219 ALA CA C 54.674 0.300 1 1030 219 219 ALA CB C 17.227 0.300 1 1031 219 219 ALA N N 122.347 0.300 1 1032 220 220 LEU H H 8.316 0.030 1 1033 220 220 LEU C C 179.935 0.300 1 1034 220 220 LEU CA C 57.062 0.300 1 1035 220 220 LEU CB C 41.139 0.300 1 1036 220 220 LEU N N 119.985 0.300 1 1037 221 221 LEU H H 7.946 0.030 1 1038 221 221 LEU C C 178.654 0.300 1 1039 221 221 LEU CA C 55.943 0.300 1 1040 221 221 LEU CB C 41.242 0.300 1 1041 221 221 LEU N N 119.331 0.300 1 1042 222 222 THR H H 7.816 0.030 1 1043 222 222 THR C C 175.056 0.300 1 1044 222 222 THR CA C 62.928 0.300 1 1045 222 222 THR CB C 69.520 0.300 1 1046 222 222 THR N N 113.439 0.300 1 1047 223 223 GLU H H 7.980 0.030 1 1048 223 223 GLU C C 176.745 0.300 1 1049 223 223 GLU CA C 56.782 0.300 1 1050 223 223 GLU CB C 29.362 0.300 1 1051 223 223 GLU N N 123.377 0.300 1 1052 224 224 GLU H H 8.226 0.030 1 1053 224 224 GLU C C 176.492 0.300 1 1054 224 224 GLU CA C 56.623 0.300 1 1055 224 224 GLU CB C 29.520 0.300 1 1056 224 224 GLU N N 121.712 0.300 1 1057 225 225 HIS H H 8.343 0.030 1 1058 225 225 HIS C C 175.194 0.300 1 1059 225 225 HIS CA C 55.552 0.300 1 1060 225 225 HIS CB C 29.203 0.300 1 1061 225 225 HIS N N 120.650 0.300 1 1062 226 226 LYS H H 8.166 0.030 1 1063 226 226 LYS C C 176.341 0.300 1 1064 226 226 LYS CA C 56.070 0.300 1 1065 226 226 LYS CB C 32.309 0.300 1 1066 226 226 LYS N N 123.279 0.300 1 1067 227 227 ASP H H 8.440 0.030 1 1068 227 227 ASP C C 176.221 0.300 1 1069 227 227 ASP CA C 54.227 0.300 1 1070 227 227 ASP CB C 40.639 0.300 1 1071 227 227 ASP N N 121.760 0.300 1 1072 228 228 GLN H H 8.258 0.030 1 1073 228 228 GLN C C 175.954 0.300 1 1074 228 228 GLN CA C 55.144 0.300 1 1075 228 228 GLN CB C 28.835 0.300 1 1076 228 228 GLN N N 120.988 0.300 1 1077 229 229 SER H H 8.388 0.030 1 1078 229 229 SER C C 172.736 0.300 1 1079 229 229 SER CA C 56.473 0.300 1 1080 229 229 SER CB C 63.023 0.300 1 1081 229 229 SER N N 119.466 0.300 1 1082 230 230 PRO C C 177.078 0.300 1 1083 230 230 PRO CA C 62.973 0.300 1 1084 230 230 PRO CB C 31.383 0.300 1 1085 231 231 SER H H 8.376 0.030 1 1086 231 231 SER C C 173.724 0.300 1 1087 231 231 SER CA C 58.170 0.300 1 1088 231 231 SER CB C 63.737 0.300 1 1089 231 231 SER N N 117.175 0.300 1 1090 232 232 GLN H H 7.935 0.030 1 1091 232 232 GLN C C 180.511 0.300 1 1092 232 232 GLN CA C 56.997 0.300 1 1093 232 232 GLN CB C 29.714 0.300 1 1094 232 232 GLN N N 127.256 0.300 1 stop_ save_