data_26703 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RDPheH25-117 ; _BMRB_accession_number 26703 _BMRB_flat_file_name bmr26703.str _Entry_type original _Submission_date 2015-11-06 _Accession_date 2015-11-06 _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 Zhang Shengnan . . 2 Fitzpatrick Paul P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 71 "13C chemical shifts" 152 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-03 original BMRB . stop_ _Original_release_date 2015-11-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Identification of the Allosteric Site for Phenylalanine in Rat Phenylalanine Hydroxylase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26823465 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Shengnan . . 2 Fitzpatrick Paul P. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 291 _Journal_issue 14 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7418 _Page_last 7425 _Year 2016 _Details . loop_ _Keyword allostery 'binding site' 'phenylalanine hydroxylase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RDPheH25-117 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RDPheH25-117 $RDPheH25-117 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_RDPheH25-117 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RDPheH25-117 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; IEDNSNQNGAISLIFSLKEE VGALAKVLRLFEENDINLTH IESRPSRLNKDEYEFFTYLD KRSKPVLGSIIKSLRNDIGA TVHELSRDKEKNT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 25 ILE 2 26 GLU 3 27 ASP 4 28 ASN 5 29 SER 6 30 ASN 7 31 GLN 8 32 ASN 9 33 GLY 10 34 ALA 11 35 ILE 12 36 SER 13 37 LEU 14 38 ILE 15 39 PHE 16 40 SER 17 41 LEU 18 42 LYS 19 43 GLU 20 44 GLU 21 45 VAL 22 46 GLY 23 47 ALA 24 48 LEU 25 49 ALA 26 50 LYS 27 51 VAL 28 52 LEU 29 53 ARG 30 54 LEU 31 55 PHE 32 56 GLU 33 57 GLU 34 58 ASN 35 59 ASP 36 60 ILE 37 61 ASN 38 62 LEU 39 63 THR 40 64 HIS 41 65 ILE 42 66 GLU 43 67 SER 44 68 ARG 45 69 PRO 46 70 SER 47 71 ARG 48 72 LEU 49 73 ASN 50 74 LYS 51 75 ASP 52 76 GLU 53 77 TYR 54 78 GLU 55 79 PHE 56 80 PHE 57 81 THR 58 82 TYR 59 83 LEU 60 84 ASP 61 85 LYS 62 86 ARG 63 87 SER 64 88 LYS 65 89 PRO 66 90 VAL 67 91 LEU 68 92 GLY 69 93 SER 70 94 ILE 71 95 ILE 72 96 LYS 73 97 SER 74 98 LEU 75 99 ARG 76 100 ASN 77 101 ASP 78 102 ILE 79 103 GLY 80 104 ALA 81 105 THR 82 106 VAL 83 107 HIS 84 108 GLU 85 109 LEU 86 110 SER 87 111 ARG 88 112 ASP 89 113 LYS 90 114 GLU 91 115 LYS 92 116 ASN 93 117 THR 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 $RDPheH25-117 'Norway 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 $RDPheH25-117 'recombinant technology' . Escherichia coli . pET28a 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 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' phenylalanine 5 mM 'natural abundance' leupeptin 1 uM 'natural abundance' 'pepstain A' 1 uM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 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 'data analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 8 . 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 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 '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' 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 RDPheH25-117 _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 25 1 ILE H H 7.927 . . 2 25 1 ILE CA C 61.505 . . 3 25 1 ILE CB C 38.576 . . 4 25 1 ILE N N 122.444 . . 5 26 2 GLU H H 8.392 . . 6 26 2 GLU CA C 56.582 . . 7 26 2 GLU CB C 30.276 . . 8 26 2 GLU N N 124.676 . . 9 31 7 GLN CA C 55.980 . . 10 31 7 GLN CB C 29.620 . . 11 32 8 ASN H H 8.051 . . 12 32 8 ASN CA C 54.800 . . 13 32 8 ASN CB C 40.880 . . 14 32 8 ASN N N 125.280 . . 15 33 9 GLY H H 8.200 . . 16 33 9 GLY CA C 45.430 . . 17 33 9 GLY N N 114.100 . . 18 34 10 ALA H H 7.706 . . 19 34 10 ALA CA C 52.300 . . 20 34 10 ALA CB C 20.148 . . 21 34 10 ALA N N 122.136 . . 22 35 11 ILE H H 8.704 . . 23 35 11 ILE CA C 60.440 . . 24 35 11 ILE CB C 39.982 . . 25 35 11 ILE N N 120.873 . . 26 36 12 SER H H 8.502 . . 27 36 12 SER CA C 56.830 . . 28 36 12 SER CB C 65.304 . . 29 36 12 SER N N 121.204 . . 30 37 13 LEU H H 8.202 . . 31 37 13 LEU CA C 54.990 . . 32 37 13 LEU CB C 44.950 . . 33 37 13 LEU N N 125.322 . . 34 38 14 ILE H H 8.821 . . 35 38 14 ILE CA C 59.900 . . 36 38 14 ILE CB C 40.967 . . 37 38 14 ILE N N 128.004 . . 38 39 15 PHE CA C 54.707 . . 39 39 15 PHE CB C 41.865 . . 40 40 16 SER H H 9.459 . . 41 40 16 SER CA C 57.538 . . 42 40 16 SER CB C 66.570 . . 43 40 16 SER N N 115.917 . . 44 41 17 LEU H H 8.759 . . 45 41 17 LEU CA C 53.150 . . 46 41 17 LEU CB C 46.875 . . 47 41 17 LEU N N 120.114 . . 48 42 18 LYS H H 8.536 . . 49 42 18 LYS CA C 56.618 . . 50 42 18 LYS CB C 32.386 . . 51 42 18 LYS N N 121.859 . . 52 43 19 GLU H H 8.309 . . 53 43 19 GLU CA C 56.972 . . 54 43 19 GLU CB C 29.713 . . 55 43 19 GLU N N 124.906 . . 56 44 20 GLU H H 7.233 . . 57 44 20 GLU CA C 55.344 . . 58 44 20 GLU CB C 31.542 . . 59 44 20 GLU N N 124.752 . . 60 45 21 VAL H H 8.434 . . 61 45 21 VAL CA C 64.687 . . 62 45 21 VAL CB C 31.542 . . 63 45 21 VAL N N 123.436 . . 64 46 22 GLY H H 8.986 . . 65 46 22 GLY CA C 45.859 . . 66 46 22 GLY N N 115.820 . . 67 47 23 ALA H H 7.806 . . 68 47 23 ALA CA C 55.556 . . 69 47 23 ALA CB C 20.007 . . 70 47 23 ALA N N 124.274 . . 71 48 24 LEU H H 8.342 . . 72 48 24 LEU CA C 57.043 . . 73 48 24 LEU CB C 40.967 . . 74 48 24 LEU N N 117.548 . . 75 49 25 ALA H H 9.806 . . 76 49 25 ALA CA C 55.910 . . 77 49 25 ALA CB C 16.825 . . 78 49 25 ALA N N 125.243 . . 79 50 26 LYS H H 7.494 . . 80 50 26 LYS CA C 60.016 . . 81 50 26 LYS CB C 32.667 . . 82 50 26 LYS N N 115.803 . . 83 51 27 VAL H H 6.965 . . 84 51 27 VAL CA C 65.961 . . 85 51 27 VAL CB C 30.839 . . 86 51 27 VAL N N 119.421 . . 87 52 28 LEU H H 8.247 . . 88 52 28 LEU CA C 57.680 . . 89 52 28 LEU CB C 38.998 . . 90 52 28 LEU N N 116.612 . . 91 53 29 ARG H H 8.133 . . 92 53 29 ARG CA C 59.733 . . 93 53 29 ARG CB C 29.684 . . 94 53 29 ARG N N 121.306 . . 95 54 30 LEU H H 6.908 . . 96 54 30 LEU CA C 58.105 . . 97 54 30 LEU CB C 40.827 . . 98 54 30 LEU N N 121.484 . . 99 55 31 PHE H H 7.859 . . 100 55 31 PHE CA C 58.671 . . 101 55 31 PHE CB C 36.044 . . 102 55 31 PHE N N 117.945 . . 103 56 32 GLU H H 8.575 . . 104 56 32 GLU CA C 60.228 . . 105 56 32 GLU CB C 29.432 . . 106 56 32 GLU N N 122.423 . . 107 57 33 GLU H H 8.461 . . 108 57 33 GLU CA C 58.600 . . 109 57 33 GLU CB C 29.432 . . 110 57 33 GLU N N 119.637 . . 111 58 34 ASN H H 7.264 . . 112 58 34 ASN CA C 53.716 . . 113 58 34 ASN CB C 41.108 . . 114 58 34 ASN N N 115.514 . . 115 59 35 ASP H H 8.112 . . 116 59 35 ASP CA C 55.769 . . 117 59 35 ASP CB C 39.842 . . 118 59 35 ASP N N 118.115 . . 119 60 36 ILE H H 7.966 . . 120 60 36 ILE CA C 60.440 . . 121 60 36 ILE CB C 37.872 . . 122 60 36 ILE N N 118.027 . . 123 61 37 ASN H H 8.603 . . 124 61 37 ASN CA C 52.937 . . 125 61 37 ASN CB C 41.249 . . 126 61 37 ASN N N 126.688 . . 127 62 38 LEU H H 8.127 . . 128 62 38 LEU CA C 54.849 . . 129 62 38 LEU CB C 44.116 . . 130 62 38 LEU N N 125.425 . . 131 63 39 THR H H 8.210 . . 132 63 39 THR CA C 60.865 . . 133 63 39 THR CB C 68.733 . . 134 63 39 THR N N 105.466 . . 135 64 40 HIS H H 7.347 . . 136 64 40 HIS CA C 58.034 . . 137 64 40 HIS CB C 35.903 . . 138 64 40 HIS N N 119.250 . . 139 65 41 ILE H H 8.094 . . 140 65 41 ILE CA C 60.440 . . 141 65 41 ILE CB C 41.952 . . 142 65 41 ILE N N 124.901 . . 143 66 42 GLU H H 8.055 . . 144 66 42 GLU CA C 55.467 . . 145 66 42 GLU CB C 33.424 . . 146 66 42 GLU N N 119.880 . . 147 67 43 SER H H 8.223 . . 148 67 43 SER CA C 55.910 . . 149 67 43 SER CB C 69.524 . . 150 67 43 SER N N 117.087 . . 151 68 44 ARG H H 8.907 . . 152 68 44 ARG CA C 54.495 . . 153 68 44 ARG CB C 31.401 . . 154 68 44 ARG N N 117.201 . . 155 69 45 PRO CA C 63.484 . . 156 69 45 PRO CB C 31.314 . . 157 70 46 SER H H 8.000 . . 158 70 46 SER CA C 58.246 . . 159 70 46 SER CB C 63.528 . . 160 70 46 SER N N 116.584 . . 161 71 47 ARG H H 8.805 . . 162 71 47 ARG CA C 57.114 . . 163 71 47 ARG CB C 29.995 . . 164 71 47 ARG N N 126.288 . . 165 72 48 LEU H H 8.003 . . 166 72 48 LEU CA C 55.510 . . 167 72 48 LEU CB C 43.640 . . 168 72 48 LEU N N 118.941 . . 169 73 49 ASN H H 7.347 . . 170 73 49 ASN CA C 52.371 . . 171 73 49 ASN CB C 39.982 . . 172 73 49 ASN N N 116.164 . . 173 74 50 LYS H H 8.480 . . 174 74 50 LYS CA C 57.480 . . 175 74 50 LYS CB C 31.877 . . 176 74 50 LYS N N 122.320 . . 177 75 51 ASP H H 8.475 . . 178 75 51 ASP CA C 54.424 . . 179 75 51 ASP CB C 40.405 . . 180 75 51 ASP N N 118.314 . . 181 76 52 GLU H H 7.512 . . 182 76 52 GLU CA C 54.849 . . 183 76 52 GLU CB C 33.652 . . 184 76 52 GLU N N 117.319 . . 185 77 53 TYR H H 8.912 . . 186 77 53 TYR CA C 58.388 . . 187 77 53 TYR CB C 42.796 . . 188 77 53 TYR N N 120.827 . . 189 78 54 GLU H H 9.039 . . 190 78 54 GLU CA C 54.070 . . 191 78 54 GLU CB C 33.512 . . 192 78 54 GLU N N 119.584 . . 193 79 55 PHE H H 8.818 . . 194 79 55 PHE CA C 56.618 . . 195 79 55 PHE CB C 41.389 . . 196 79 55 PHE N N 118.708 . . 197 80 56 PHE H H 8.570 . . 198 80 56 PHE CA C 56.406 . . 199 80 56 PHE CB C 40.545 . . 200 80 56 PHE N N 122.400 . . 201 81 57 THR H H 7.980 . . 202 81 57 THR CA C 59.210 . . 203 81 57 THR CB C 72.420 . . 204 81 57 THR N N 115.440 . . 205 82 58 TYR H H 8.043 . . 206 82 58 TYR CA C 56.390 . . 207 82 58 TYR CB C 40.510 . . 208 82 58 TYR N N 118.890 . . 209 83 59 LEU H H 9.217 . . 210 83 59 LEU CA C 53.020 . . 211 83 59 LEU CB C 43.770 . . 212 83 59 LEU N N 121.870 . . 213 85 61 LYS HB2 H 0.000 . . 214 91 67 LEU CA C 54.990 . . 215 91 67 LEU CB C 42.560 . . 216 92 68 GLY H H 7.850 . . 217 92 68 GLY CA C 46.140 . . 218 92 68 GLY N N 115.940 . . 219 94 70 ILE CA C 62.825 . . 220 94 70 ILE CB C 36.379 . . 221 95 71 ILE H H 8.629 . . 222 95 71 ILE CA C 66.315 . . 223 95 71 ILE CB C 37.223 . . 224 95 71 ILE N N 121.219 . . 225 96 72 LYS H H 7.515 . . 226 96 72 LYS CA C 60.380 . . 227 96 72 LYS CB C 32.245 . . 228 96 72 LYS N N 119.300 . . 229 97 73 SER H H 7.945 . . 230 97 73 SER CA C 62.424 . . 231 97 73 SER CB C 63.756 . . 232 97 73 SER N N 115.506 . . 233 98 74 LEU H H 8.874 . . 234 98 74 LEU CA C 58.175 . . 235 98 74 LEU CB C 41.671 . . 236 98 74 LEU N N 123.187 . . 237 99 75 ARG H H 8.048 . . 238 99 75 ARG CA C 59.166 . . 239 99 75 ARG CB C 31.261 . . 240 99 75 ARG N N 116.569 . . 241 100 76 ASN H H 8.692 . . 242 100 76 ASN CA C 55.698 . . 243 100 76 ASN CB C 38.998 . . 244 100 76 ASN N N 115.536 . . 245 101 77 ASP H H 8.553 . . 246 101 77 ASP CA C 55.981 . . 247 101 77 ASP CB C 40.967 . . 248 101 77 ASP N N 118.500 . . 249 102 78 ILE H H 7.245 . . 250 102 78 ILE CA C 61.148 . . 251 102 78 ILE CB C 37.450 . . 252 102 78 ILE N N 117.378 . . 253 103 79 GLY H H 7.087 . . 254 103 79 GLY CA C 46.071 . . 255 103 79 GLY N N 107.808 . . 256 104 80 ALA H H 8.054 . . 257 104 80 ALA CA C 51.518 . . 258 104 80 ALA CB C 20.710 . . 259 104 80 ALA N N 123.008 . . 260 105 81 THR H H 8.217 . . 261 105 81 THR CA C 62.422 . . 262 105 81 THR CB C 69.524 . . 263 105 81 THR N N 116.653 . . 264 106 82 VAL H H 8.821 . . 265 106 82 VAL CA C 62.068 . . 266 106 82 VAL CB C 32.808 . . 267 106 82 VAL N N 127.347 . . 268 107 83 HIS H H 8.678 . . 269 107 83 HIS CA C 55.910 . . 270 107 83 HIS CB C 31.120 . . 271 107 83 HIS N N 128.078 . . 272 108 84 GLU CA C 56.310 . . 273 108 84 GLU CB C 31.020 . . 274 109 85 LEU H H 8.367 . . 275 109 85 LEU CA C 55.130 . . 276 109 85 LEU CB C 42.650 . . 277 109 85 LEU N N 123.880 . . 278 113 89 LYS CA C 56.470 . . 279 113 89 LYS CB C 32.940 . . 280 114 90 GLU H H 8.337 . . 281 114 90 GLU CA C 56.760 . . 282 114 90 GLU CB C 30.130 . . 283 114 90 GLU N N 121.340 . . 284 115 91 LYS H H 8.219 . . 285 115 91 LYS CA C 56.470 . . 286 115 91 LYS CB C 32.940 . . 287 115 91 LYS N N 121.630 . . 288 116 92 ASN CA C 53.620 . . 289 116 92 ASN CB C 38.910 . . 290 117 93 THR H H 7.677 . . 291 117 93 THR CA C 63.470 . . 292 117 93 THR CB C 70.780 . . 293 117 93 THR N N 118.716 . . stop_ save_