data_25806 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the prolactin receptor transmembrane domain ; _BMRB_accession_number 25806 _BMRB_flat_file_name bmr25806.str _Entry_type original _Submission_date 2015-09-11 _Accession_date 2015-09-11 _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 Bugge Katrine . . 2 Kragelund Birthe B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 176 "13C chemical shifts" 161 "15N chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-05-23 original BMRB . stop_ _Original_release_date 2016-05-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A combined computational and structural model of the full-length human prolactin receptor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27174498 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bugge Katrine . . 2 Papaleo Elena . . 3 Haxholm Gitte W. . 4 Hopper Jonathan TS . 5 Dagil Robert . . 6 Robinson Carol V. . 7 Olsen Johan G. . 8 Lindorff-Larsen Kresten . . 9 Kragelund Birthe B. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 7 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11578 _Page_last 11578 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'prolactin receptor transmembrane domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'prolactin receptor transmembrane domain' $PRLRTMD 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_PRLRTMD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PRLRTMD _Molecular_mass 3960.773 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 37 _Mol_residue_sequence ; GSFTMNDTTVWISVAVLSAV ICLIIVWAVALKGYSMV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 205 GLY 2 206 SER 3 207 PHE 4 208 THR 5 209 MET 6 210 ASN 7 211 ASP 8 212 THR 9 213 THR 10 214 VAL 11 215 TRP 12 216 ILE 13 217 SER 14 218 VAL 15 219 ALA 16 220 VAL 17 221 LEU 18 222 SER 19 223 ALA 20 224 VAL 21 225 ILE 22 226 CYS 23 227 LEU 24 228 ILE 25 229 ILE 26 230 VAL 27 231 TRP 28 232 ALA 29 233 VAL 30 234 ALA 31 235 LEU 32 236 LYS 33 237 GLY 34 238 TYR 35 239 SER 36 240 MET 37 241 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PRLRTMD 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 $PRLRTMD 'recombinant technology' . Escherichia coli BL21(DE3) 'pGEX 4T-1' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'DHPC micelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PRLRTMD 0.8 mM '[U-13C; U-15N]' DSS 2 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' DHPC 560 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' TCEP 4 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'DHPC micelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PRLRTMD 1 mM '[U-13C; U-15N]' DSS 2 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' DHPC 700 mM [U-2H] 'sodium phosphate' 20 mM 'natural abundance' TCEP 4 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PRLRTMD 0.7 mM [U-15N] DSS 2 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' DHPC 490 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' TCEP 4 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3.2 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_2 save_ save_3D_HNHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample15N save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample15N save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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' 50 . mM pH 7.2 . pH pressure 1 . atm temperature 273 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 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 '3D HNHA' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample15N $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'prolactin receptor transmembrane domain' _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 1 205 2 SER CA C 58.498 . . 2 205 2 SER CB C 64.088 . . 3 206 3 PHE H H 8.414 . . 4 206 3 PHE HA H 4.787 . . 5 206 3 PHE HB2 H 3.178 . . 6 206 3 PHE HB3 H 3.073 . . 7 206 3 PHE HD1 H 7.273 . . 8 206 3 PHE HD2 H 7.273 . . 9 206 3 PHE C C 175.282 . . 10 206 3 PHE CA C 57.711 . . 11 206 3 PHE CB C 40.139 . . 12 206 3 PHE CD1 C 132.082 . . 13 206 3 PHE CD2 C 132.082 . . 14 206 3 PHE N N 121.596 . . 15 207 4 THR H H 8.233 . . 16 207 4 THR HA H 4.442 . . 17 207 4 THR HB H 4.246 . . 18 207 4 THR HG2 H 1.215 . . 19 207 4 THR C C 174.188 . . 20 207 4 THR CA C 61.309 . . 21 207 4 THR CB C 70.503 . . 22 207 4 THR CG2 C 21.623 . . 23 207 4 THR N N 116.011 . . 24 208 5 MET H H 8.474 . . 25 208 5 MET HA H 4.475 . . 26 208 5 MET HB2 H 2.118 . . 27 208 5 MET HB3 H 2.041 . . 28 208 5 MET HG2 H 2.549 . . 29 208 5 MET HG3 H 2.573 . . 30 208 5 MET C C 175.595 . . 31 208 5 MET CA C 55.865 . . 32 208 5 MET CB C 32.987 . . 33 208 5 MET CG C 32.598 . . 34 208 5 MET N N 121.915 . . 35 209 6 ASN H H 8.274 . . 36 209 6 ASN HA H 4.773 . . 37 209 6 ASN HB2 H 2.938 . . 38 209 6 ASN C C 175.125 . . 39 209 6 ASN CA C 53.389 . . 40 209 6 ASN CB C 39.165 . . 41 209 6 ASN N N 119.024 . . 42 210 7 ASP H H 8.262 . . 43 210 7 ASP HA H 4.553 . . 44 210 7 ASP HB2 H 2.773 . . 45 210 7 ASP C C 177.325 . . 46 210 7 ASP CA C 56.169 . . 47 210 7 ASP CB C 41.255 . . 48 210 7 ASP N N 119.941 . . 49 211 8 THR H H 8.320 . . 50 211 8 THR HA H 4.107 . . 51 211 8 THR HB H 4.302 . . 52 211 8 THR HG2 H 1.326 . . 53 211 8 THR C C 175.855 . . 54 211 8 THR CA C 65.947 . . 55 211 8 THR CB C 68.808 . . 56 211 8 THR CG2 C 22.565 . . 57 211 8 THR N N 115.882 . . 58 212 9 THR H H 8.216 . . 59 212 9 THR HA H 4.004 . . 60 212 9 THR HB H 4.315 . . 61 212 9 THR HG2 H 1.300 . . 62 212 9 THR C C 177.310 . . 63 212 9 THR CA C 66.199 . . 64 212 9 THR CB C 68.580 . . 65 212 9 THR CG2 C 22.597 . . 66 212 9 THR N N 115.754 . . 67 213 10 VAL H H 8.090 . . 68 213 10 VAL HA H 3.654 . . 69 213 10 VAL HB H 2.175 . . 70 213 10 VAL HG1 H 0.696 . . 71 213 10 VAL HG2 H 0.992 . . 72 213 10 VAL C C 177.157 . . 73 213 10 VAL CA C 66.937 . . 74 213 10 VAL CB C 31.552 . . 75 213 10 VAL CG1 C 21.083 . . 76 213 10 VAL CG2 C 22.983 . . 77 213 10 VAL N N 123.471 . . 78 214 11 TRP H H 7.966 . . 79 214 11 TRP HA H 4.421 . . 80 214 11 TRP HB2 H 3.379 . . 81 214 11 TRP HD1 H 7.330 . . 82 214 11 TRP HE1 H 10.352 . . 83 214 11 TRP HE3 H 7.479 . . 84 214 11 TRP HZ2 H 7.510 . . 85 214 11 TRP HZ3 H 6.948 . . 86 214 11 TRP HH2 H 7.121 . . 87 214 11 TRP C C 178.622 . . 88 214 11 TRP CA C 60.857 . . 89 214 11 TRP CB C 29.477 . . 90 214 11 TRP CD1 C 127.456 . . 91 214 11 TRP CE3 C 120.199 . . 92 214 11 TRP CZ2 C 114.779 . . 93 214 11 TRP CZ3 C 121.204 . . 94 214 11 TRP CH2 C 124.039 . . 95 214 11 TRP N N 119.814 . . 96 214 11 TRP NE1 N 129.156 . . 97 215 12 ILE H H 8.388 . . 98 215 12 ILE HA H 3.735 . . 99 215 12 ILE HB H 1.992 . . 100 215 12 ILE HG12 H 1.078 . . 101 215 12 ILE HG13 H 1.826 . . 102 215 12 ILE HG2 H 0.931 . . 103 215 12 ILE HD1 H 0.907 . . 104 215 12 ILE C C 177.589 . . 105 215 12 ILE CA C 65.310 . . 106 215 12 ILE CB C 37.811 . . 107 215 12 ILE CG1 C 29.582 . . 108 215 12 ILE CG2 C 18.186 . . 109 215 12 ILE CD1 C 13.596 . . 110 215 12 ILE N N 118.030 . . 111 216 13 SER H H 8.010 . . 112 216 13 SER HA H 4.083 . . 113 216 13 SER C C 175.835 . . 114 216 13 SER CA C 63.777 . . 115 216 13 SER CB C 62.965 . . 116 216 13 SER N N 116.314 . . 117 217 14 VAL H H 8.381 . . 118 217 14 VAL HA H 3.577 . . 119 217 14 VAL HB H 2.290 . . 120 217 14 VAL HG1 H 0.939 . . 121 217 14 VAL HG2 H 1.001 . . 122 217 14 VAL C C 178.640 . . 123 217 14 VAL CA C 66.870 . . 124 217 14 VAL CB C 31.611 . . 125 217 14 VAL CG1 C 21.773 . . 126 217 14 VAL CG2 C 23.459 . . 127 217 14 VAL N N 120.711 . . 128 218 15 ALA H H 8.565 . . 129 218 15 ALA HA H 4.003 . . 130 218 15 ALA HB H 1.513 . . 131 218 15 ALA C C 178.882 . . 132 218 15 ALA CA C 56.052 . . 133 218 15 ALA CB C 18.212 . . 134 218 15 ALA N N 125.445 . . 135 219 16 VAL H H 8.575 . . 136 219 16 VAL HA H 3.555 . . 137 219 16 VAL HB H 2.221 . . 138 219 16 VAL HG1 H 0.907 . . 139 219 16 VAL HG2 H 1.093 . . 140 219 16 VAL C C 177.632 . . 141 219 16 VAL CA C 67.308 . . 142 219 16 VAL CB C 31.411 . . 143 219 16 VAL CG1 C 21.676 . . 144 219 16 VAL CG2 C 23.547 . . 145 219 16 VAL N N 116.767 . . 146 220 17 LEU H H 8.434 . . 147 220 17 LEU HA H 3.973 . . 148 220 17 LEU HB2 H 1.802 . . 149 220 17 LEU HB3 H 1.671 . . 150 220 17 LEU HG H 1.801 . . 151 220 17 LEU HD1 H 0.884 . . 152 220 17 LEU C C 178.641 . . 153 220 17 LEU CA C 58.527 . . 154 220 17 LEU CB C 41.914 . . 155 220 17 LEU CG C 27.194 . . 156 220 17 LEU CD1 C 24.345 . . 157 220 17 LEU N N 118.644 . . 158 221 18 SER H H 8.478 . . 159 221 18 SER HA H 4.026 . . 160 221 18 SER C C 175.620 . . 161 221 18 SER CA C 63.606 . . 162 221 18 SER CB C 62.966 . . 163 221 18 SER N N 114.238 . . 164 222 19 ALA H H 8.160 . . 165 222 19 ALA HA H 3.967 . . 166 222 19 ALA HB H 1.524 . . 167 222 19 ALA C C 178.799 . . 168 222 19 ALA CA C 55.796 . . 169 222 19 ALA CB C 18.003 . . 170 222 19 ALA N N 124.323 . . 171 223 20 VAL H H 8.274 . . 172 223 20 VAL HA H 3.534 . . 173 223 20 VAL HB H 2.333 . . 174 223 20 VAL HG1 H 0.913 . . 175 223 20 VAL HG2 H 1.064 . . 176 223 20 VAL C C 177.402 . . 177 223 20 VAL CA C 67.393 . . 178 223 20 VAL CB C 31.317 . . 179 223 20 VAL CG1 C 21.625 . . 180 223 20 VAL CG2 C 23.473 . . 181 223 20 VAL N N 116.763 . . 182 224 21 ILE H H 8.375 . . 183 224 21 ILE HA H 3.633 . . 184 224 21 ILE HB H 2.098 . . 185 224 21 ILE HG12 H 1.102 . . 186 224 21 ILE HG13 H 1.851 . . 187 224 21 ILE HG2 H 0.920 . . 188 224 21 ILE HD1 H 0.815 . . 189 224 21 ILE C C 177.422 . . 190 224 21 ILE CA C 65.827 . . 191 224 21 ILE CB C 37.301 . . 192 224 21 ILE CG1 C 29.845 . . 193 224 21 ILE CG2 C 17.396 . . 194 224 21 ILE CD1 C 13.054 . . 195 224 21 ILE N N 118.686 . . 196 225 22 CYS H H 8.202 . . 197 225 22 CYS HA H 4.018 . . 198 225 22 CYS HB2 H 3.178 . . 199 225 22 CYS HB3 H 2.671 . . 200 225 22 CYS C C 176.120 . . 201 225 22 CYS CA C 65.013 . . 202 225 22 CYS CB C 26.856 . . 203 225 22 CYS N N 116.617 . . 204 226 23 LEU H H 8.210 . . 205 226 23 LEU HA H 4.016 . . 206 226 23 LEU HB2 H 1.938 . . 207 226 23 LEU HB3 H 1.639 . . 208 226 23 LEU HD1 H 0.858 . . 209 226 23 LEU C C 177.990 . . 210 226 23 LEU CA C 58.559 . . 211 226 23 LEU CB C 41.749 . . 212 226 23 LEU CD1 C 24.104 . . 213 226 23 LEU N N 118.552 . . 214 227 24 ILE H H 8.233 . . 215 227 24 ILE HA H 3.824 . . 216 227 24 ILE HB H 2.138 . . 217 227 24 ILE HG12 H 1.068 . . 218 227 24 ILE HG2 H 0.982 . . 219 227 24 ILE HD1 H 0.808 . . 220 227 24 ILE C C 177.429 . . 221 227 24 ILE CA C 65.849 . . 222 227 24 ILE CB C 37.542 . . 223 227 24 ILE CG1 C 29.546 . . 224 227 24 ILE CG2 C 17.518 . . 225 227 24 ILE CD1 C 13.823 . . 226 227 24 ILE N N 118.243 . . 227 228 25 ILE H H 8.161 . . 228 228 25 ILE HA H 3.696 . . 229 228 25 ILE HB H 2.141 . . 230 228 25 ILE HG12 H 1.052 . . 231 228 25 ILE HG2 H 0.925 . . 232 228 25 ILE HD1 H 0.852 . . 233 228 25 ILE C C 177.269 . . 234 228 25 ILE CA C 66.225 . . 235 228 25 ILE CB C 37.450 . . 236 228 25 ILE CG1 C 29.733 . . 237 228 25 ILE CG2 C 17.503 . . 238 228 25 ILE CD1 C 13.769 . . 239 228 25 ILE N N 118.904 . . 240 229 26 VAL H H 8.366 . . 241 229 26 VAL HA H 3.573 . . 242 229 26 VAL HB H 2.297 . . 243 229 26 VAL HG1 H 0.978 . . 244 229 26 VAL HG2 H 1.127 . . 245 229 26 VAL C C 177.312 . . 246 229 26 VAL CA C 67.509 . . 247 229 26 VAL CB C 31.319 . . 248 229 26 VAL CG1 C 21.899 . . 249 229 26 VAL CG2 C 23.525 . . 250 229 26 VAL N N 118.028 . . 251 230 27 TRP H H 8.618 . . 252 230 27 TRP HA H 4.294 . . 253 230 27 TRP HB2 H 3.615 . . 254 230 27 TRP HB3 H 3.336 . . 255 230 27 TRP HD1 H 7.121 . . 256 230 27 TRP HE1 H 10.056 . . 257 230 27 TRP HE3 H 7.590 . . 258 230 27 TRP HZ2 H 7.414 . . 259 230 27 TRP HZ3 H 6.888 . . 260 230 27 TRP HH2 H 7.070 . . 261 230 27 TRP C C 177.236 . . 262 230 27 TRP CA C 60.793 . . 263 230 27 TRP CB C 29.170 . . 264 230 27 TRP CD1 C 124.990 . . 265 230 27 TRP CE3 C 120.655 . . 266 230 27 TRP CZ2 C 114.361 . . 267 230 27 TRP CZ3 C 120.614 . . 268 230 27 TRP CH2 C 123.870 . . 269 230 27 TRP N N 120.511 . . 270 230 27 TRP NE1 N 127.681 . . 271 231 28 ALA H H 8.728 . . 272 231 28 ALA HA H 3.742 . . 273 231 28 ALA HB H 1.545 . . 274 231 28 ALA C C 179.679 . . 275 231 28 ALA CA C 55.559 . . 276 231 28 ALA CB C 18.475 . . 277 231 28 ALA N N 119.679 . . 278 232 29 VAL H H 8.453 . . 279 232 29 VAL HA H 3.733 . . 280 232 29 VAL HB H 2.280 . . 281 232 29 VAL HG1 H 0.988 . . 282 232 29 VAL HG2 H 1.122 . . 283 232 29 VAL C C 178.103 . . 284 232 29 VAL CA C 66.138 . . 285 232 29 VAL CB C 31.855 . . 286 232 29 VAL CG1 C 21.978 . . 287 232 29 VAL CG2 C 23.222 . . 288 232 29 VAL N N 115.974 . . 289 233 30 ALA H H 8.472 . . 290 233 30 ALA HA H 4.175 . . 291 233 30 ALA HB H 1.531 . . 292 233 30 ALA C C 179.434 . . 293 233 30 ALA CA C 54.989 . . 294 233 30 ALA CB C 18.603 . . 295 233 30 ALA N N 122.331 . . 296 234 31 LEU H H 8.208 . . 297 234 31 LEU HA H 4.178 . . 298 234 31 LEU HB2 H 1.751 . . 299 234 31 LEU HB3 H 1.511 . . 300 234 31 LEU HG H 1.680 . . 301 234 31 LEU HD1 H 0.816 . . 302 234 31 LEU HD2 H 0.732 . . 303 234 31 LEU C C 179.118 . . 304 234 31 LEU CA C 57.066 . . 305 234 31 LEU CB C 42.156 . . 306 234 31 LEU CG C 27.318 . . 307 234 31 LEU CD1 C 23.752 . . 308 234 31 LEU CD2 C 25.198 . . 309 234 31 LEU N N 116.926 . . 310 235 32 LYS H H 7.857 . . 311 235 32 LYS HA H 4.188 . . 312 235 32 LYS HB2 H 1.867 . . 313 235 32 LYS HB3 H 1.889 . . 314 235 32 LYS HG2 H 1.391 . . 315 235 32 LYS HD2 H 1.688 . . 316 235 32 LYS HE2 H 2.967 . . 317 235 32 LYS HE3 H 3.022 . . 318 235 32 LYS C C 178.315 . . 319 235 32 LYS CA C 57.085 . . 320 235 32 LYS CB C 32.014 . . 321 235 32 LYS CG C 24.604 . . 322 235 32 LYS CD C 28.590 . . 323 235 32 LYS CE C 41.991 . . 324 235 32 LYS N N 117.891 . . 325 236 33 GLY H H 8.243 . . 326 236 33 GLY HA2 H 3.884 . . 327 236 33 GLY HA3 H 3.815 . . 328 236 33 GLY C C 174.493 . . 329 236 33 GLY CA C 46.354 . . 330 236 33 GLY N N 107.369 . . 331 237 34 TYR H H 8.029 . . 332 237 34 TYR HA H 4.501 . . 333 237 34 TYR HB2 H 2.968 . . 334 237 34 TYR HB3 H 3.094 . . 335 237 34 TYR HD1 H 7.143 . . 336 237 34 TYR HD2 H 7.143 . . 337 237 34 TYR HE1 H 6.816 . . 338 237 34 TYR HE2 H 6.816 . . 339 237 34 TYR C C 175.646 . . 340 237 34 TYR CA C 58.961 . . 341 237 34 TYR CB C 39.006 . . 342 237 34 TYR CD1 C 133.026 . . 343 237 34 TYR CD2 C 133.026 . . 344 237 34 TYR CE1 C 118.195 . . 345 237 34 TYR CE2 C 118.195 . . 346 237 34 TYR N N 119.546 . . 347 238 35 SER H H 7.946 . . 348 238 35 SER HA H 4.472 . . 349 238 35 SER HB2 H 3.917 . . 350 238 35 SER C C 174.318 . . 351 238 35 SER CA C 58.619 . . 352 238 35 SER CB C 63.959 . . 353 238 35 SER N N 115.132 . . 354 239 36 MET H H 8.194 . . 355 239 36 MET HA H 4.493 . . 356 239 36 MET HB2 H 2.229 . . 357 239 36 MET HB3 H 2.068 . . 358 239 36 MET HG2 H 2.680 . . 359 239 36 MET HG3 H 2.612 . . 360 239 36 MET C C 175.102 . . 361 239 36 MET CA C 56.084 . . 362 239 36 MET CB C 33.566 . . 363 239 36 MET CG C 32.577 . . 364 239 36 MET N N 121.579 . . 365 240 37 VAL H H 7.439 . . 366 240 37 VAL HA H 4.090 . . 367 240 37 VAL HB H 2.140 . . 368 240 37 VAL HG1 H 0.943 . . 369 240 37 VAL HG2 H 0.911 . . 370 240 37 VAL CA C 63.483 . . 371 240 37 VAL CB C 33.480 . . 372 240 37 VAL CG1 C 21.917 . . 373 240 37 VAL CG2 C 20.312 . . 374 240 37 VAL N N 122.047 . . stop_ save_