data_19227 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human Pdx1 Homeodomain in the Unbound State ; _BMRB_accession_number 19227 _BMRB_flat_file_name bmr19227.str _Entry_type original _Submission_date 2013-05-06 _Accession_date 2013-05-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone chemical shifts' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Showalter Scott A. . 2 Bastidas Monique . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 50 "13C chemical shifts" 161 "15N chemical shifts" 50 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-10-11 update BMRB 'update entry citation' 2013-07-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19228 'Pdx1 (DNA complex)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Thermodynamic and Structural Determinants of Differential Pdx1 Binding to Elements from the Insulin and IAPP Promoters.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23796517 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bastidas Monique . . 2 Showalter Scott A. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 425 _Journal_issue 18 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3360 _Page_last 3377 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Pdx1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Pdx1 $Pdx1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Pdx1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pdx1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; GPGNKRTRTAYTRAQLLELE KEFLFNKYISRPRRVELAVM LNLTERHIKIWFQNRRMKWK KEED ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 143 GLY 2 144 PRO 3 145 GLY 4 146 ASN 5 147 LYS 6 148 ARG 7 149 THR 8 150 ARG 9 151 THR 10 152 ALA 11 153 TYR 12 154 THR 13 155 ARG 14 156 ALA 15 157 GLN 16 158 LEU 17 159 LEU 18 160 GLU 19 161 LEU 20 162 GLU 21 163 LYS 22 164 GLU 23 165 PHE 24 166 LEU 25 167 PHE 26 168 ASN 27 169 LYS 28 170 TYR 29 171 ILE 30 172 SER 31 173 ARG 32 174 PRO 33 175 ARG 34 176 ARG 35 177 VAL 36 178 GLU 37 179 LEU 38 180 ALA 39 181 VAL 40 182 MET 41 183 LEU 42 184 ASN 43 185 LEU 44 186 THR 45 187 GLU 46 188 ARG 47 189 HIS 48 190 ILE 49 191 LYS 50 192 ILE 51 193 TRP 52 194 PHE 53 195 GLN 54 196 ASN 55 197 ARG 56 198 ARG 57 199 MET 58 200 LYS 59 201 TRP 60 202 LYS 61 203 LYS 62 204 GLU 63 205 GLU 64 206 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 19228 Pdx1 100.00 64 100.00 100.00 1.17e-37 PDB 2H1K "Crystal Structure Of The Pdx1 Homeodomain In Complex With Dna" 96.88 63 98.39 98.39 1.10e-34 DBJ BAB32045 "unnamed protein product [Mus musculus]" 95.31 284 100.00 100.00 1.13e-34 DBJ BAG74161 "pancreatic and duodenal homeobox 1 [synthetic construct]" 95.31 283 100.00 100.00 1.34e-34 EMBL CAA34746 "unnamed protein product [Xenopus laevis]" 95.31 271 100.00 100.00 1.86e-32 EMBL CAA52389 "IPF1 [Mus musculus]" 95.31 284 100.00 100.00 1.13e-34 EMBL CAA68169 "insulin promoter factor 1 (IPF-1) [Homo sapiens]" 95.31 283 100.00 100.00 1.34e-34 GB AAA18355 "islet/duodenum homeobox-1 [Rattus norvegicus]" 95.31 283 100.00 100.00 2.75e-34 GB AAA74012 "insulin promoter factor 1 [Homo sapiens]" 95.31 283 100.00 100.00 1.34e-34 GB AAA88820 "insulin promoter factor 1 [Homo sapiens]" 95.31 283 100.00 100.00 1.34e-34 GB AAB18252 "homeodomain protein PDX1 [Mesocricetus auratus]" 95.31 283 100.00 100.00 2.81e-34 GB AAB29317 "somatostatin transactivating factor-1 [Rattus sp.]" 95.31 283 100.00 100.00 1.49e-34 PIR I65249 "homeoprotein 13A - rat (fragment)" 65.63 42 100.00 100.00 2.03e-20 REF NP_000200 "pancreas/duodenum homeobox protein 1 [Homo sapiens]" 95.31 283 100.00 100.00 1.34e-34 REF NP_001074947 "pancreas/duodenum homeobox protein 1 [Pan troglodytes]" 95.31 283 100.00 100.00 1.27e-34 REF NP_001135456 "pancreas/duodenum homeobox protein 1 [Sus scrofa]" 95.31 282 100.00 100.00 4.55e-35 REF NP_001165682 "pancreas/duodenum homeobox protein 1 [Xenopus laevis]" 95.31 271 100.00 100.00 1.86e-32 REF NP_001179065 "pancreas/duodenum homeobox protein 1 [Bos taurus]" 95.31 285 100.00 100.00 2.94e-35 SP A1YF08 "RecName: Full=Pancreas/duodenum homeobox protein 1; AltName: Full=Homeodomain protein PDX1; AltName: Full=Insulin promoter fact" 95.31 284 100.00 100.00 1.31e-34 SP A1YG85 "RecName: Full=Pancreas/duodenum homeobox protein 1; AltName: Full=Homeodomain protein PDX1; AltName: Full=Insulin promoter fact" 95.31 283 100.00 100.00 1.34e-34 SP A2T756 "RecName: Full=Pancreas/duodenum homeobox protein 1; AltName: Full=Homeodomain protein PDX1; AltName: Full=Insulin promoter fact" 95.31 283 100.00 100.00 1.27e-34 SP P14837 "RecName: Full=Pancreas/duodenum homeobox protein 1; Short=PDX-1; AltName: Full=Homeobox protein 8; Short=XlHbox-8" 95.31 271 100.00 100.00 1.86e-32 SP P52945 "RecName: Full=Pancreas/duodenum homeobox protein 1; Short=PDX-1; AltName: Full=Glucose-sensitive factor; Short=GSF; AltName: Fu" 95.31 283 100.00 100.00 1.34e-34 TPG DAA23869 "TPA: pancreatic and duodenal homeobox 1-like [Bos taurus]" 95.31 285 100.00 100.00 2.94e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Pdx1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $Pdx1 'recombinant technology' . Escherichia coli . pET-47b 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 $Pdx1 300 uM '[U-99% 13C; U-99% 15N]' 'potassium cacodylate' 100 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Pdx1-DNA complex' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pdx1 300 uM '[U-99% 13C; U-99% 15N]' DNA 500 uM 'natural abundance' 'potassium cacodylate' 100 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 7.3 . 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 0.0 external indirect . . . 0.101329118 DSS H 1 'methyl protons' ppm 0.0 external indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 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_pdx1_apo _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HN(CA)CO' 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 Pdx1 _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 1 152 10 ALA C C 176.30 0.10 1 2 152 10 ALA CA C 52.11 0.10 1 3 152 10 ALA CB C 19.63 0.10 1 4 153 11 TYR H H 7.80 0.05 1 5 153 11 TYR C C 176.60 0.10 1 6 153 11 TYR CA C 56.95 0.10 1 7 153 11 TYR CB C 40.81 0.10 1 8 153 11 TYR N N 117.60 0.10 1 9 154 12 THR H H 9.05 0.05 1 10 154 12 THR C C 175.00 0.10 1 11 154 12 THR CA C 60.44 0.10 1 12 154 12 THR CB C 70.98 0.10 1 13 154 12 THR N N 114.20 0.10 1 14 155 13 ARG C C 178.30 0.10 1 15 155 13 ARG CA C 59.85 0.10 1 16 155 13 ARG CB C 29.38 0.10 1 17 156 14 ALA H H 8.29 0.05 1 18 156 14 ALA C C 180.90 0.10 1 19 156 14 ALA CA C 55.18 0.10 1 20 156 14 ALA CB C 18.34 0.10 1 21 156 14 ALA N N 119.20 0.10 1 22 157 15 GLN H H 7.61 0.05 1 23 157 15 GLN C C 177.60 0.10 1 24 157 15 GLN CA C 58.87 0.10 1 25 157 15 GLN CB C 27.83 0.10 1 26 157 15 GLN N N 116.60 0.10 1 27 158 16 LEU H H 8.23 0.05 1 28 158 16 LEU C C 179.10 0.10 1 29 158 16 LEU CA C 57.90 0.10 1 30 158 16 LEU CB C 41.46 0.10 1 31 158 16 LEU N N 117.70 0.10 1 32 159 17 LEU H H 8.08 0.05 1 33 159 17 LEU C C 180.20 0.10 1 34 159 17 LEU CA C 58.28 0.10 1 35 159 17 LEU CB C 41.98 0.10 1 36 159 17 LEU N N 118.50 0.10 1 37 160 18 GLU H H 7.18 0.05 1 38 160 18 GLU C C 179.40 0.10 1 39 160 18 GLU CA C 58.37 0.10 1 40 160 18 GLU CB C 29.64 0.10 1 41 160 18 GLU N N 117.70 0.10 1 42 161 19 LEU H H 7.92 0.05 1 43 161 19 LEU C C 177.50 0.10 1 44 161 19 LEU CA C 58.22 0.10 1 45 161 19 LEU CB C 37.63 0.10 1 46 161 19 LEU N N 122.00 0.10 1 47 162 20 GLU H H 8.06 0.05 1 48 162 20 GLU C C 179.40 0.10 1 49 162 20 GLU CA C 59.06 0.10 1 50 162 20 GLU CB C 28.93 0.10 1 51 162 20 GLU N N 118.10 0.10 1 52 163 21 LYS H H 7.52 0.05 1 53 163 21 LYS C C 178.80 0.10 1 54 163 21 LYS CA C 59.82 0.10 1 55 163 21 LYS CB C 32.30 0.10 1 56 163 21 LYS N N 119.40 0.10 1 57 164 22 GLU H H 7.80 0.05 1 58 164 22 GLU C C 178.40 0.10 1 59 164 22 GLU CA C 59.23 0.10 1 60 164 22 GLU CB C 28.59 0.10 1 61 164 22 GLU N N 120.20 0.10 1 62 165 23 PHE H H 8.64 0.05 1 63 165 23 PHE C C 176.10 0.10 1 64 165 23 PHE CA C 60.62 0.10 1 65 165 23 PHE CB C 39.39 0.10 1 66 165 23 PHE N N 120.60 0.10 1 67 166 24 LEU H H 7.80 0.05 1 68 166 24 LEU C C 178.50 0.10 1 69 166 24 LEU CA C 57.25 0.10 1 70 166 24 LEU CB C 41.72 0.10 1 71 166 24 LEU N N 116.60 0.10 1 72 167 25 PHE H H 7.29 0.05 1 73 167 25 PHE C C 176.10 0.10 1 74 167 25 PHE CA C 59.24 0.10 1 75 167 25 PHE CB C 40.03 0.10 1 76 167 25 PHE N N 116.80 0.10 1 77 168 26 ASN H H 8.46 0.05 1 78 168 26 ASN C C 172.40 0.10 1 79 168 26 ASN CA C 52.85 0.10 1 80 168 26 ASN CB C 40.54 0.10 1 81 168 26 ASN N N 118.50 0.10 1 82 169 27 LYS H H 8.00 0.05 1 83 169 27 LYS C C 175.20 0.10 1 84 169 27 LYS CA C 57.09 0.10 1 85 169 27 LYS CB C 32.03 0.10 1 86 169 27 LYS N N 120.90 0.10 1 87 170 28 TYR H H 7.60 0.05 1 88 170 28 TYR C C 175.00 0.10 1 89 170 28 TYR CA C 56.49 0.10 1 90 170 28 TYR CB C 39.88 0.10 1 91 170 28 TYR N N 115.00 0.10 1 92 171 29 ILE H H 7.41 0.05 1 93 171 29 ILE C C 174.70 0.10 1 94 171 29 ILE CA C 59.58 0.10 1 95 171 29 ILE CB C 40.55 0.10 1 96 171 29 ILE N N 117.50 0.10 1 97 172 30 SER H H 8.46 0.05 1 98 172 30 SER CA C 57.20 0.10 1 99 172 30 SER CB C 65.00 0.10 1 100 172 30 SER N N 121.60 0.10 1 101 174 32 PRO C C 179.60 0.10 1 102 174 32 PRO CA C 66.18 0.10 1 103 174 32 PRO CB C 30.60 0.10 1 104 175 33 ARG H H 7.29 0.05 1 105 175 33 ARG C C 177.50 0.10 1 106 175 33 ARG CA C 56.97 0.10 1 107 175 33 ARG CB C 29.29 0.10 1 108 175 33 ARG N N 118.00 0.10 1 109 176 34 ARG H H 8.43 0.05 1 110 176 34 ARG C C 178.00 0.10 1 111 176 34 ARG CA C 60.96 0.10 1 112 176 34 ARG CB C 31.17 0.10 1 113 176 34 ARG N N 121.00 0.10 1 114 177 35 VAL H H 8.09 0.05 1 115 177 35 VAL C C 177.70 0.10 1 116 177 35 VAL CA C 66.74 0.10 1 117 177 35 VAL CB C 31.68 0.10 1 118 177 35 VAL N N 118.30 0.10 1 119 178 36 GLU H H 7.64 0.05 1 120 178 36 GLU C C 180.00 0.10 1 121 178 36 GLU CA C 59.59 0.10 1 122 178 36 GLU CB C 30.38 0.10 1 123 178 36 GLU N N 119.20 0.10 1 124 179 37 LEU H H 8.59 0.05 1 125 179 37 LEU C C 177.90 0.10 1 126 179 37 LEU CA C 57.64 0.10 1 127 179 37 LEU CB C 42.88 0.10 1 128 179 37 LEU N N 119.80 0.10 1 129 180 38 ALA H H 8.26 0.05 1 130 180 38 ALA C C 180.00 0.10 1 131 180 38 ALA CA C 56.40 0.10 1 132 180 38 ALA CB C 17.53 0.10 1 133 180 38 ALA N N 122.70 0.10 1 134 181 39 VAL H H 7.80 0.05 1 135 181 39 VAL C C 179.60 0.10 1 136 181 39 VAL CA C 65.89 0.10 1 137 181 39 VAL CB C 31.91 0.10 1 138 181 39 VAL N N 116.70 0.10 1 139 182 40 MET H H 7.97 0.05 1 140 182 40 MET C C 177.90 0.10 1 141 182 40 MET CA C 58.94 0.10 1 142 182 40 MET CB C 33.81 0.10 1 143 182 40 MET N N 119.40 0.10 1 144 183 41 LEU H H 8.24 0.05 1 145 183 41 LEU C C 176.30 0.10 1 146 183 41 LEU CA C 54.37 0.10 1 147 183 41 LEU CB C 42.50 0.10 1 148 183 41 LEU N N 114.10 0.10 1 149 184 42 ASN H H 7.84 0.05 1 150 184 42 ASN C C 174.00 0.10 1 151 184 42 ASN CA C 54.47 0.10 1 152 184 42 ASN CB C 36.91 0.10 1 153 184 42 ASN N N 117.50 0.10 1 154 185 43 LEU H H 8.39 0.05 1 155 185 43 LEU C C 175.60 0.10 1 156 185 43 LEU CA C 52.64 0.10 1 157 185 43 LEU CB C 47.40 0.10 1 158 185 43 LEU N N 119.00 0.10 1 159 186 44 THR H H 7.89 0.05 1 160 186 44 THR C C 176.20 0.10 1 161 186 44 THR CA C 60.98 0.10 1 162 186 44 THR CB C 71.80 0.10 1 163 186 44 THR N N 109.40 0.10 1 164 187 45 GLU C C 178.30 0.10 1 165 187 45 GLU CA C 61.09 0.10 1 166 187 45 GLU CB C 29.33 0.10 1 167 188 46 ARG H H 8.14 0.05 1 168 188 46 ARG C C 177.90 0.10 1 169 188 46 ARG CA C 59.60 0.10 1 170 188 46 ARG CB C 29.68 0.10 1 171 188 46 ARG N N 119.30 0.10 1 172 189 47 HIS H H 7.93 0.05 1 173 189 47 HIS C C 179.80 0.10 1 174 189 47 HIS CA C 61.18 0.10 1 175 189 47 HIS CB C 31.77 0.10 1 176 189 47 HIS N N 117.10 0.10 1 177 190 48 ILE H H 7.80 0.05 1 178 190 48 ILE C C 177.10 0.10 1 179 190 48 ILE CA C 64.45 0.10 1 180 190 48 ILE CB C 36.91 0.10 1 181 190 48 ILE N N 119.50 0.10 1 182 191 49 LYS H H 8.56 0.05 1 183 191 49 LYS C C 179.90 0.10 1 184 191 49 LYS CA C 60.26 0.10 1 185 191 49 LYS CB C 33.20 0.10 1 186 191 49 LYS N N 121.40 0.10 1 187 192 50 ILE H H 8.49 0.05 1 188 192 50 ILE C C 177.50 0.10 1 189 192 50 ILE CA C 64.28 0.10 1 190 192 50 ILE CB C 38.02 0.10 1 191 192 50 ILE N N 119.00 0.10 1 192 193 51 TRP H H 8.21 0.05 1 193 193 51 TRP C C 179.70 0.10 1 194 193 51 TRP CA C 63.65 0.10 1 195 193 51 TRP CB C 28.51 0.10 1 196 193 51 TRP N N 122.00 0.10 1 197 194 52 PHE H H 8.79 0.05 1 198 194 52 PHE C C 177.90 0.10 1 199 194 52 PHE CA C 63.43 0.10 1 200 194 52 PHE CB C 39.61 0.10 1 201 194 52 PHE N N 118.40 0.10 1 202 195 53 GLN H H 7.98 0.05 1 203 195 53 GLN C C 178.90 0.10 1 204 195 53 GLN CA C 59.58 0.10 1 205 195 53 GLN CB C 28.38 0.10 1 206 195 53 GLN N N 118.40 0.10 1 207 196 54 ASN H H 8.21 0.05 1 208 196 54 ASN C C 177.70 0.10 1 209 196 54 ASN CA C 55.65 0.10 1 210 196 54 ASN CB C 37.82 0.10 1 211 196 54 ASN N N 118.10 0.10 1 212 197 55 ARG H H 8.28 0.05 1 213 197 55 ARG C C 179.50 0.10 1 214 197 55 ARG CA C 56.31 0.10 1 215 197 55 ARG CB C 27.91 0.10 1 216 197 55 ARG N N 123.60 0.10 1 217 198 56 ARG H H 8.00 0.05 1 218 198 56 ARG C C 178.20 0.10 1 219 198 56 ARG CA C 60.16 0.10 1 220 198 56 ARG CB C 31.66 0.10 1 221 198 56 ARG N N 118.00 0.10 1 222 199 57 MET H H 7.39 0.05 1 223 199 57 MET C C 177.40 0.10 1 224 199 57 MET CA C 57.80 0.10 1 225 199 57 MET CB C 32.04 0.10 1 226 199 57 MET N N 117.70 0.10 1 227 200 58 LYS H H 7.40 0.05 1 228 200 58 LYS C C 176.90 0.10 1 229 200 58 LYS CA C 57.92 0.10 1 230 200 58 LYS CB C 32.70 0.10 1 231 200 58 LYS N N 119.50 0.10 1 232 201 59 TRP H H 7.90 0.05 1 233 201 59 TRP C C 176.40 0.10 1 234 201 59 TRP CA C 58.39 0.10 1 235 201 59 TRP CB C 29.37 0.10 1 236 201 59 TRP N N 120.90 0.10 1 237 202 60 LYS H H 7.94 0.05 1 238 202 60 LYS C C 176.50 0.10 1 239 202 60 LYS CA C 56.75 0.10 1 240 202 60 LYS CB C 32.78 0.10 1 241 202 60 LYS N N 120.50 0.10 1 242 203 61 LYS H H 7.77 0.05 1 243 203 61 LYS C C 176.90 0.10 1 244 203 61 LYS CA C 57.12 0.10 1 245 203 61 LYS CB C 32.66 0.10 1 246 203 61 LYS N N 120.30 0.10 1 247 204 62 GLU H H 8.14 0.05 1 248 204 62 GLU C C 176.40 0.10 1 249 204 62 GLU CA C 56.99 0.10 1 250 204 62 GLU CB C 30.10 0.10 1 251 204 62 GLU N N 120.10 0.10 1 252 205 63 GLU H H 8.06 0.05 1 253 205 63 GLU C C 175.20 0.10 1 254 205 63 GLU CA C 56.35 0.10 1 255 205 63 GLU CB C 30.58 0.10 1 256 205 63 GLU N N 120.50 0.10 1 257 206 64 ASP H H 7.82 0.05 1 258 206 64 ASP C C 180.90 0.10 1 259 206 64 ASP CA C 56.10 0.10 1 260 206 64 ASP CB C 42.38 0.10 1 261 206 64 ASP N N 126.70 0.10 1 stop_ save_