data_4678 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the RNA Polymerase Subunit RPB5 from Methanobacterium thermoautotrophicum ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yee Adelinda . . 2 Booth Valerie . . 3 Dharamsi Akil . . 4 Engel Asaph . . 5 Edwards Aled M. . 6 Arrowsmith Cheryl . . stop_ _BMRB_accession_number 4678 _BMRB_flat_file_name bmr4678.str _Entry_type new _Submission_date 2000-03-03 _Accession_date 2000-03-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 466 '13C chemical shifts' 269 '15N chemical shifts' 70 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Yee, A., Booth, V., Dharamsi, A., Engel, A., Edwards, A.M., Arrowsmith, C.H., "Solution Structure of the RNA Polymerase Subunit RPB5 from Methanobacterium thermoautotrophicum," Proc. Natl. Acad. Sci. U.S.A. 97, 6311-6315 (2000). ; _Citation_title ; Solution Structure of the RNA Polymerase Subunit RPB5 from Methanobacterium thermoautotrophicum ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 20300897 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yee Adelinda . . 2 Booth Valerie . . 3 Dharamsi Akil . . 4 Engel Asaph . . 5 Edwards Aled M. . 6 Arrowsmith Cheryl . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 97 _Page_first 6311 _Page_last 6315 _Year 2000 loop_ _Keyword rnap 'rna polymerase' mt 'methanobacterium thermoautotrophicum' stop_ save_ ################################## # Molecular system description # ################################## save_system_rpb5 _Saveframe_category molecular_system _Mol_system_name mtrpbH _Abbreviation_common rpb5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rpb5 $rpb5 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1EIK "A Chain A, Solution Structure Of Rna Polymerase Subunit Rpb5 From Methanobacterium Thermoautotrophicum" . stop_ save_ ######################## # Monomeric polymers # ######################## save_rpb5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "rna polymerase subunit 5" _Name_variant . _Abbreviation_common rpb5 _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; MKREILKHQLVPEHVILNES EAKRVLKELDAHPEQLPKIK TTDPVAKAIGAKRGDIVKII RKSPTAEEFVTYRLVQD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ARG 4 GLU 5 ILE 6 LEU 7 LYS 8 HIS 9 GLN 10 LEU 11 VAL 12 PRO 13 GLU 14 HIS 15 VAL 16 ILE 17 LEU 18 ASN 19 GLU 20 SER 21 GLU 22 ALA 23 LYS 24 ARG 25 VAL 26 LEU 27 LYS 28 GLU 29 LEU 30 ASP 31 ALA 32 HIS 33 PRO 34 GLU 35 GLN 36 LEU 37 PRO 38 LYS 39 ILE 40 LYS 41 THR 42 THR 43 ASP 44 PRO 45 VAL 46 ALA 47 LYS 48 ALA 49 ILE 50 GLY 51 ALA 52 LYS 53 ARG 54 GLY 55 ASP 56 ILE 57 VAL 58 LYS 59 ILE 60 ILE 61 ARG 62 LYS 63 SER 64 PRO 65 THR 66 ALA 67 GLU 68 GLU 69 PHE 70 VAL 71 THR 72 TYR 73 ARG 74 LEU 75 VAL 76 GLN 77 ASP stop_ _Sequence_homology_query_date 2008-02-25 _Sequence_homology_query_revised_last_date 2008-01-16 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 PDB 1EIK "A Chain A, Solution Structure Of RnaPolymerase Subunit Rpb5 From MethanobacteriumThermoautotrophicum" 100.00 77 100 100 4e-36 GenBank AAB85539.1 "DNA-dependent RNA polymerase, subunit H[Methanothermobacter thermautotrophicus str. Delta H]" 100.00 77 100 100 4e-36 REF NP_276178.1 "DNA-directed RNA polymerase subunitH [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 77 100 100 4e-36 SWISS-PROT O27122 "RPOH_METTH DNA-directed RNA polymerasesubunit H (RPB5)" 100.00 77 100 100 4e-36 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rpb5 'Methanobacterium thermoautotrophicum' 2166 Archaea . Methanobacterium thermoautotrophicum 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 $rpb5 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $rpb5 1 mM 0.7 1.2 '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_nmrview _Saveframe_category software _Name nmrview _Version 3.0 loop_ _Task "peak picking" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; HNCACB HBCBCACONNH HCCHTOCSY HCCTOCSY HNCO CCC-TOCSY 15N-DIPSI ; save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference 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 H2O H 1 protons ppm 4.772 internal direct spherical internal parallel_to_Bo "sodium acetate" C 13 'methyl carbons' ppm 25.85 external_to_the_sample direct spherical external_to_the_sample parallel_to_Bo . N 15 . ppm . . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_one _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name rpb5 loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 MET HA H 4.10 . . 2 1 MET CA C 62.24 . . 3 1 MET HB2 H 2.06 . . 4 1 MET HB3 H 2.06 . . 5 1 MET CB C 32.71 . . 6 1 MET HG2 H 0.94 . . 7 1 MET HG3 H 0.94 . . 8 1 MET CG C 20.83 . . 9 2 LYS HA H 4.32 . . 10 2 LYS CA C 56.20 . . 11 2 LYS HB2 H 1.79 . . 12 2 LYS HB3 H 1.79 . . 13 2 LYS CB C 32.79 . . 14 2 LYS HG2 H 1.42 . . 15 2 LYS HG3 H 1.42 . . 16 2 LYS CG C 24.71 . . 17 2 LYS HD2 H 1.69 . . 18 2 LYS HD3 H 1.69 . . 19 2 LYS CD C 29.14 . . 20 2 LYS HE2 H 3.01 . . 21 2 LYS HE3 H 3.01 . . 22 2 LYS CE C 42.05 . . 23 2 LYS H H 8.40 . . 24 2 LYS N N 128.75 . . 25 3 ARG HA H 4.35 . . 26 3 ARG CA C 55.98 . . 27 3 ARG HB2 H 1.77 . . 28 3 ARG HB3 H 1.77 . . 29 3 ARG CB C 30.73 . . 30 3 ARG HG2 H 1.62 . . 31 3 ARG HG3 H 1.62 . . 32 3 ARG CG C 27.09 . . 33 3 ARG HD2 H 3.21 . . 34 3 ARG HD3 H 3.21 . . 35 3 ARG CD C 43.16 . . 36 3 ARG H H 8.36 . . 37 3 ARG N N 126.06 . . 38 4 GLU HA H 4.29 . . 39 4 GLU CA C 56.36 . . 40 4 GLU H H 8.49 . . 41 4 GLU N N 125.61 . . 42 4 GLU HB2 H 2.24 . . 43 4 GLU HB3 H 2.24 . . 44 4 GLU CB C 30.33 . . 45 4 GLU HG2 H 2.24 . . 46 4 GLU HG3 H 2.24 . . 47 4 GLU CG C 35.95 . . 48 5 ILE HA H 4.13 . . 49 5 ILE CA C 61.05 . . 50 5 ILE HB H 1.85 . . 51 5 ILE CB C 38.33 . . 52 5 ILE HG13 H 1.20 . . 53 5 ILE CG1 C 27.24 . . 54 5 ILE HG12 H 1.49 . . 55 5 ILE HG2 H 0.88 . . 56 5 ILE CG2 C 17.35 . . 57 5 ILE HD1 H 0.88 . . 58 5 ILE CD1 C 13.15 . . 59 5 ILE H H 8.20 . . 60 5 ILE N N 125.44 . . 61 6 LEU HA H 4.32 . . 62 6 LEU CA C 54.88 . . 63 6 LEU HB2 H 1.52 . . 64 6 LEU HB3 H 1.52 . . 65 6 LEU CB C 41.97 . . 66 6 LEU HG H 1.61 . . 67 6 LEU CG C 27.09 . . 68 6 LEU HD1 H 0.93 . . 69 6 LEU CD1 C 25.03 . . 70 6 LEU HD2 H 0.87 . . 71 6 LEU CD2 C 23.05 . . 72 6 LEU H H 8.23 . . 73 6 LEU N N 128.93 . . 74 7 LYS H H 8.24 . . 75 7 LYS N N 124.53 . . 76 7 LYS HA H 4.18 . . 77 7 LYS CA C 56.53 . . 78 7 LYS HB3 H 1.64 . . 79 7 LYS HB2 H 1.73 . . 80 7 LYS CB C 32.62 . . 81 7 LYS HG2 H 1.65 . . 82 7 LYS HG3 H 1.65 . . 83 7 LYS CD C 28.90 . . 84 7 LYS HD2 H 1.38 . . 85 7 LYS CG C 24.63 . . 86 7 LYS HD3 H 2.95 . . 87 7 LYS CE C 41.97 . . 88 8 HIS H H 8.10 . . 89 8 HIS N N 121.95 . . 90 8 HIS HA H 4.32 . . 91 8 HIS CA C 56.33 . . 92 8 HIS HB2 H 1.84 . . 93 8 HIS HB3 H 1.84 . . 94 8 HIS CB C 30.53 . . 95 8 HIS HE1 H 7.21 . . 96 9 GLN HA H 4.32 . . 97 9 GLN CA C 55.66 . . 98 9 GLN HB2 H 2.28 . . 99 9 GLN HB3 H 2.28 . . 100 9 GLN CB C 33.73 . . 101 10 LEU HA H 4.36 . . 102 10 LEU CA C 54.95 . . 103 10 LEU HB3 H 1.65 . . 104 10 LEU CB C 42.05 . . 105 10 LEU HB2 H 1.52 . . 106 10 LEU HG H 1.64 . . 107 10 LEU CG C 26.85 . . 108 10 LEU HD1 H 0.93 . . 109 10 LEU CD1 C 24.95 . . 110 10 LEU HD2 H 0.88 . . 111 10 LEU CD2 C 23.05 . . 112 10 LEU H H 8.22 . . 113 10 LEU N N 125.80 . . 114 11 VAL H H 8.12 . . 115 11 VAL N N 125.73 . . 116 11 VAL HA H 4.43 . . 117 11 VAL CA C 59.72 . . 118 11 VAL HB H 2.09 . . 119 11 VAL CB C 32.52 . . 120 12 PRO HA H 4.61 . . 121 12 PRO CA C 62.40 . . 122 12 PRO HB3 H 1.60 . . 123 12 PRO CB C 32.23 . . 124 12 PRO HB2 H 2.00 . . 125 12 PRO HG3 H 2.01 . . 126 12 PRO CG C 27.09 . . 127 12 PRO HG2 H 1.95 . . 128 12 PRO HD3 H 3.88 . . 129 12 PRO CD C 50.68 . . 130 12 PRO HD2 H 3.73 . . 131 13 GLU HA H 4.31 . . 132 13 GLU CA C 55.67 . . 133 13 GLU HB2 H 2.12 . . 134 13 GLU HB3 H 2.12 . . 135 13 GLU CB C 36.24 . . 136 13 GLU H H 8.36 . . 137 13 GLU N N 124.01 . . 138 14 HIS HA H 5.41 . . 139 14 HIS CA C 55.01 . . 140 14 HIS HB3 H 2.70 . . 141 14 HIS CB C 32.07 . . 142 14 HIS HB2 H 2.92 . . 143 14 HIS HE1 H 6.54 . . 144 14 HIS H H 8.06 . . 145 14 HIS N N 123.66 . . 146 15 VAL HA H 4.48 . . 147 15 VAL CA C 60.41 . . 148 15 VAL HB H 2.00 . . 149 15 VAL CB C 36.27 . . 150 15 VAL HG1 H 0.95 . . 151 15 VAL CG1 C 20.67 . . 152 15 VAL HG2 H 0.92 . . 153 15 VAL CG2 C 20.67 . . 154 15 VAL H H 9.01 . . 155 15 VAL N N 124.06 . . 156 16 ILE HA H 4.33 . . 157 16 ILE CA C 61.68 . . 158 16 ILE HB H 1.73 . . 159 16 ILE CB C 38.65 . . 160 16 ILE HG12 H 0.80 . . 161 16 ILE HG13 H 0.80 . . 162 16 ILE CG1 C 29.07 . . 163 16 ILE HG2 H 0.92 . . 164 16 ILE CG2 C 17.27 . . 165 16 ILE HD1 H 0.86 . . 166 16 ILE CD1 C 13.71 . . 167 16 ILE H H 8.78 . . 168 16 ILE N N 129.02 . . 169 17 LEU HA H 4.47 . . 170 17 LEU CA C 54.77 . . 171 17 LEU HB3 H 1.87 . . 172 17 LEU CB C 42.21 . . 173 17 LEU HB2 H 1.55 . . 174 17 LEU HG H 1.86 . . 175 17 LEU CG C 26.45 . . 176 17 LEU HD1 H 0.93 . . 177 17 LEU CD1 C 22.81 . . 178 17 LEU HD2 H 0.87 . . 179 17 LEU CD2 C 26.45 . . 180 17 LEU H H 8.76 . . 181 17 LEU N N 131.49 . . 182 18 ASN HA H 4.73 . . 183 18 ASN CA C 51.79 . . 184 18 ASN HB3 H 3.32 . . 185 18 ASN CB C 38.09 . . 186 18 ASN HB2 H 2.97 . . 187 18 ASN H H 8.87 . . 188 18 ASN N N 123.84 . . 189 19 GLU HA H 4.04 . . 190 19 GLU CA C 60.33 . . 191 19 GLU HB3 H 2.17 . . 192 19 GLU CB C 29.62 . . 193 19 GLU HB2 H 2.06 . . 194 19 GLU HG3 H 2.42 . . 195 19 GLU CG C 36.11 . . 196 19 GLU HG2 H 2.30 . . 197 19 GLU H H 8.62 . . 198 19 GLU N N 121.66 . . 199 20 SER HA H 4.21 . . 200 20 SER CA C 61.52 . . 201 20 SER HB2 H 3.97 . . 202 20 SER HB3 H 3.97 . . 203 20 SER CB C 62.37 . . 204 20 SER H H 8.22 . . 205 20 SER N N 117.27 . . 206 21 GLU HA H 4.16 . . 207 21 GLU CA C 58.50 . . 208 21 GLU HB3 H 1.96 . . 209 21 GLU CB C 30.20 . . 210 21 GLU HB2 H 2.20 . . 211 21 GLU HG3 H 2.47 . . 212 21 GLU CG C 36.35 . . 213 21 GLU HG2 H 2.32 . . 214 21 GLU H H 8.41 . . 215 21 GLU N N 126.85 . . 216 22 ALA HA H 3.82 . . 217 22 ALA CA C 55.24 . . 218 22 ALA HB H 1.46 . . 219 22 ALA CB C 17.80 . . 220 22 ALA H H 8.91 . . 221 22 ALA N N 124.68 . . 222 23 LYS HA H 3.91 . . 223 23 LYS CA C 59.46 . . 224 23 LYS HB2 H 1.97 . . 225 23 LYS HB3 H 1.97 . . 226 23 LYS CB C 32.11 . . 227 23 LYS HG3 H 1.50 . . 228 23 LYS CG C 25.58 . . 229 23 LYS HG2 H 1.72 . . 230 23 LYS HD2 H 1.72 . . 231 23 LYS HD3 H 1.72 . . 232 23 LYS CD C 29.22 . . 233 23 LYS HE2 H 3.00 . . 234 23 LYS HE3 H 3.00 . . 235 23 LYS CE C 42.05 . . 236 23 LYS H H 7.71 . . 237 23 LYS N N 118.23 . . 238 24 ARG HA H 4.03 . . 239 24 ARG CA C 59.70 . . 240 24 ARG HB3 H 2.03 . . 241 24 ARG CB C 30.12 . . 242 24 ARG HB2 H 1.94 . . 243 24 ARG HG3 H 1.76 . . 244 24 ARG CG C 27.17 . . 245 24 ARG HG2 H 1.57 . . 246 24 ARG HD3 H 3.29 . . 247 24 ARG CD C 43.08 . . 248 24 ARG HD2 H 3.19 . . 249 24 ARG H H 7.46 . . 250 24 ARG N N 122.44 . . 251 25 VAL HA H 3.52 . . 252 25 VAL CA C 66.20 . . 253 25 VAL HB H 1.77 . . 254 25 VAL CB C 31.36 . . 255 25 VAL HG1 H 0.73 . . 256 25 VAL CG1 C 22.73 . . 257 25 VAL HG2 H 0.20 . . 258 25 VAL CG2 C 19.64 . . 259 25 VAL H H 8.23 . . 260 25 VAL N N 123.83 . . 261 26 LEU HA H 3.81 . . 262 26 LEU CA C 58.19 . . 263 26 LEU HB2 H 1.75 . . 264 26 LEU HB3 H 1.75 . . 265 26 LEU CG C 27.01 . . 266 26 LEU HG H 1.62 . . 267 26 LEU CB C 40.38 . . 268 26 LEU HD1 H 0.81 . . 269 26 LEU CD1 C 25.34 . . 270 26 LEU HD2 H 0.64 . . 271 26 LEU CD2 C 22.18 . . 272 26 LEU H H 8.16 . . 273 26 LEU N N 121.66 . . 274 27 LYS HA H 4.20 . . 275 27 LYS CA C 58.58 . . 276 27 LYS HB2 H 1.97 . . 277 27 LYS HB3 H 1.97 . . 278 27 LYS CB C 31.71 . . 279 27 LYS HG3 H 1.47 . . 280 27 LYS CG C 24.63 . . 281 27 LYS HG2 H 1.52 . . 282 27 LYS HD2 H 1.66 . . 283 27 LYS HD3 H 1.66 . . 284 27 LYS CD C 28.99 . . 285 27 LYS HE2 H 3.02 . . 286 27 LYS HE3 H 3.02 . . 287 27 LYS CE C 42.13 . . 288 27 LYS H H 7.51 . . 289 27 LYS N N 121.10 . . 290 28 GLU HA H 4.04 . . 291 28 GLU CA C 58.98 . . 292 28 GLU HB3 H 2.09 . . 293 28 GLU CB C 29.54 . . 294 28 GLU HB2 H 2.17 . . 295 28 GLU HG3 H 2.26 . . 296 28 GLU CG C 36.27 . . 297 28 GLU HG2 H 2.45 . . 298 28 GLU H H 8.06 . . 299 28 GLU N N 123.66 . . 300 29 LEU HA H 4.22 . . 301 29 LEU CA C 55.11 . . 302 29 LEU HB3 H 1.63 . . 303 29 LEU CB C 42.13 . . 304 29 LEU HB2 H 1.55 . . 305 29 LEU HG H 1.79 . . 306 29 LEU CG C 25.66 . . 307 29 LEU HD1 H 0.86 . . 308 29 LEU CD1 C 22.18 . . 309 29 LEU HD2 H 0.69 . . 310 29 LEU CD2 C 25.66 . . 311 29 LEU H H 8.07 . . 312 29 LEU N N 120.27 . . 313 30 ASP HA H 4.26 . . 314 30 ASP CA C 55.16 . . 315 30 ASP HB3 H 2.52 . . 316 30 ASP CB C 40.06 . . 317 30 ASP HB2 H 3.03 . . 318 30 ASP H H 7.83 . . 319 30 ASP N N 123.74 . . 320 31 ALA HA H 4.62 . . 321 31 ALA CA C 51.03 . . 322 31 ALA HB H 1.18 . . 323 31 ALA CB C 21.30 . . 324 31 ALA H H 7.91 . . 325 31 ALA N N 121.41 . . 326 32 HIS HA H 5.02 . . 327 32 HIS CA C 53.42 . . 328 32 HIS HB3 H 2.96 . . 329 32 HIS CB C 30.20 . . 330 32 HIS HB2 H 3.24 . . 331 32 HIS HE1 H 7.16 . . 332 32 HIS H H 7.94 . . 333 32 HIS N N 121.06 . . 334 33 PRO HA H 4.09 . . 335 33 PRO CA C 65.72 . . 336 33 PRO HB3 H 2.03 . . 337 33 PRO CB C 31.68 . . 338 33 PRO HB2 H 2.32 . . 339 33 PRO HG2 H 2.16 . . 340 33 PRO HG3 H 2.16 . . 341 33 PRO CG C 27.48 . . 342 33 PRO HD3 H 3.58 . . 343 33 PRO CD C 49.97 . . 344 33 PRO HD2 H 3.68 . . 345 34 GLU HA H 4.13 . . 346 34 GLU CA C 58.27 . . 347 34 GLU HB2 H 2.07 . . 348 34 GLU HB3 H 2.07 . . 349 34 GLU CB C 28.04 . . 350 34 GLU HG3 H 2.33 . . 351 34 GLU CG C 36.27 . . 352 34 GLU HG2 H 2.40 . . 353 34 GLU H H 9.41 . . 354 34 GLU N N 117.85 . . 355 35 GLN HA H 4.35 . . 356 35 GLN CA C 56.06 . . 357 35 GLN HB2 H 2.26 . . 358 35 GLN HB3 H 2.26 . . 359 35 GLN CB C 29.70 . . 360 35 GLN HG2 H 2.48 . . 361 35 GLN HG3 H 2.48 . . 362 35 GLN CG C 34.92 . . 363 35 GLN H H 8.13 . . 364 35 GLN N N 120.61 . . 365 36 LEU HA H 4.61 . . 366 36 LEU CA C 53.02 . . 367 36 LEU HB3 H 1.62 . . 368 36 LEU CB C 41.33 . . 369 36 LEU HB2 H 1.75 . . 370 36 LEU HD1 H 0.77 . . 371 36 LEU CD1 C 27.45 . . 372 36 LEU HD2 H 0.95 . . 373 36 LEU CD2 C 24.96 . . 374 36 LEU H H 7.64 . . 375 36 LEU N N 124.58 . . 376 37 PRO HA H 4.60 . . 377 37 PRO CA C 62.40 . . 378 37 PRO HB3 H 1.78 . . 379 37 PRO CB C 30.97 . . 380 37 PRO HB2 H 2.47 . . 381 37 PRO HG3 H 2.17 . . 382 37 PRO CG C 27.88 . . 383 37 PRO HG2 H 2.09 . . 384 37 PRO HD3 H 3.78 . . 385 37 PRO CD C 49.89 . . 386 37 PRO HD2 H 3.93 . . 387 38 LYS HA H 5.62 . . 388 38 LYS CA C 54.64 . . 389 38 LYS HB3 H 1.72 . . 390 38 LYS CB C 34.77 . . 391 38 LYS HB2 H 1.81 . . 392 38 LYS HG3 H 1.47 . . 393 38 LYS CG C 25.27 . . 394 38 LYS HG2 H 1.55 . . 395 38 LYS HD2 H 1.55 . . 396 38 LYS HD3 H 1.55 . . 397 38 LYS CD C 28.83 . . 398 38 LYS HE2 H 3.02 . . 399 38 LYS HE3 H 3.02 . . 400 38 LYS CE C 42.21 . . 401 38 LYS H H 8.32 . . 402 38 LYS N N 121.61 . . 403 39 ILE HA H 4.56 . . 404 39 ILE CA C 59.55 . . 405 39 ILE HB H 1.68 . . 406 39 ILE CB C 41.65 . . 407 39 ILE HG12 H 1.48 . . 408 39 ILE HG13 H 1.48 . . 409 39 ILE CG1 C 26.61 . . 410 39 ILE HG2 H 0.81 . . 411 39 ILE CG2 C 17.35 . . 412 39 ILE HD1 H 0.66 . . 413 39 ILE CD1 C 13.07 . . 414 39 ILE H H 8.80 . . 415 39 ILE N N 122.73 . . 416 40 LYS H H 8.55 . . 417 40 LYS N N 125.84 . . 418 40 LYS HA H 4.93 . . 419 40 LYS CA C 55.48 . . 420 40 LYS HB3 H 1.98 . . 421 40 LYS CB C 34.13 . . 422 40 LYS HB2 H 1.74 . . 423 40 LYS HG2 H 1.63 . . 424 40 LYS HG3 H 1.63 . . 425 40 LYS CG C 25.42 . . 426 40 LYS HD2 H 1.75 . . 427 40 LYS HD3 H 1.75 . . 428 40 LYS CD C 28.99 . . 429 40 LYS HE2 H 3.04 . . 430 40 LYS HE3 H 3.04 . . 431 40 LYS CE C 41.97 . . 432 41 THR HA H 3.50 . . 433 41 THR CA C 64.94 . . 434 41 THR HB H 4.18 . . 435 41 THR CB C 68.92 . . 436 41 THR HG2 H 1.20 . . 437 41 THR CG2 C 22.81 . . 438 41 THR H H 8.88 . . 439 41 THR N N 115.77 . . 440 42 THR HA H 4.05 . . 441 42 THR CA C 60.73 . . 442 42 THR HB H 4.54 . . 443 42 THR CB C 68.92 . . 444 42 THR HG2 H 1.21 . . 445 42 THR CG2 C 21.94 . . 446 42 THR H H 6.82 . . 447 42 THR N N 128.70 . . 448 43 ASP HA H 4.71 . . 449 43 ASP CA C 53.34 . . 450 43 ASP HB3 H 2.73 . . 451 43 ASP CB C 43.00 . . 452 43 ASP HB2 H 2.88 . . 453 43 ASP H H 7.65 . . 454 43 ASP N N 128.93 . . 455 44 PRO HA H 4.16 . . 456 44 PRO CA C 65.82 . . 457 44 PRO HB3 H 2.43 . . 458 44 PRO CB C 32.31 . . 459 44 PRO HB2 H 1.98 . . 460 44 PRO HG3 H 2.04 . . 461 44 PRO CG C 27.48 . . 462 44 PRO HG2 H 2.17 . . 463 44 PRO HD3 H 3.80 . . 464 44 PRO CD C 50.60 . . 465 44 PRO HD2 H 3.98 . . 466 45 VAL HA H 3.57 . . 467 45 VAL CA C 65.82 . . 468 45 VAL HB H 1.73 . . 469 45 VAL CB C 31.23 . . 470 45 VAL HG1 H 0.77 . . 471 45 VAL CG1 C 22.26 . . 472 45 VAL HG2 H 0.36 . . 473 45 VAL CG2 C 19.88 . . 474 45 VAL H H 8.91 . . 475 45 VAL N N 120.86 . . 476 46 ALA HA H 3.77 . . 477 46 ALA CA C 54.85 . . 478 46 ALA HB H 1.42 . . 479 46 ALA CB C 18.35 . . 480 46 ALA H H 6.78 . . 481 46 ALA N N 122.82 . . 482 47 LYS HA H 4.11 . . 483 47 LYS CA C 58.42 . . 484 47 LYS HB2 H 2.01 . . 485 47 LYS HB3 H 2.01 . . 486 47 LYS CB C 32.19 . . 487 47 LYS HG2 H 1.73 . . 488 47 LYS HG3 H 1.73 . . 489 47 LYS CG C 29.07 . . 490 47 LYS HD2 H 1.46 . . 491 47 LYS HD3 H 1.46 . . 492 47 LYS CD C 24.47 . . 493 47 LYS HE2 H 3.01 . . 494 47 LYS HE3 H 3.01 . . 495 47 LYS CE C 41.50 . . 496 47 LYS H H 8.16 . . 497 47 LYS N N 119.37 . . 498 48 ALA HA H 4.14 . . 499 48 ALA CA C 54.85 . . 500 48 ALA HB H 1.53 . . 501 48 ALA CB C 18.43 . . 502 48 ALA H H 7.83 . . 503 48 ALA N N 123.46 . . 504 49 ILE HA H 4.60 . . 505 49 ILE CA C 60.25 . . 506 49 ILE HB H 2.26 . . 507 49 ILE CB C 38.47 . . 508 49 ILE HG12 H 1.31 . . 509 49 ILE HG13 H 1.31 . . 510 49 ILE CG1 C 24.79 . . 511 49 ILE HG2 H 0.93 . . 512 49 ILE CG2 C 17.03 . . 513 49 ILE HD1 H 0.68 . . 514 49 ILE CD1 C 14.42 . . 515 49 ILE H H 7.22 . . 516 49 ILE N N 131.95 . . 517 50 GLY HA3 H 3.96 . . 518 50 GLY CA C 46.26 . . 519 50 GLY HA2 H 3.87 . . 520 50 GLY H H 7.61 . . 521 50 GLY N N 113.68 . . 522 51 ALA HA H 4.41 . . 523 51 ALA CA C 51.90 . . 524 51 ALA HB H 1.28 . . 525 51 ALA CB C 20.02 . . 526 51 ALA H H 8.02 . . 527 51 ALA N N 124.65 . . 528 52 LYS HA H 4.59 . . 529 52 LYS CA C 53.49 . . 530 52 LYS HB2 H 1.77 . . 531 52 LYS HB3 H 1.77 . . 532 52 LYS CB C 35.45 . . 533 52 LYS HG3 H 1.52 . . 534 52 LYS CG C 23.60 . . 535 52 LYS HG2 H 1.36 . . 536 52 LYS HD2 H 1.69 . . 537 52 LYS HD3 H 1.69 . . 538 52 LYS CD C 28.83 . . 539 52 LYS HE2 H 3.07 . . 540 52 LYS HE3 H 3.07 . . 541 52 LYS CE C 42.05 . . 542 52 LYS H H 9.34 . . 543 52 LYS N N 124.69 . . 544 53 ARG HA H 3.64 . . 545 53 ARG CA C 57.95 . . 546 53 ARG HB2 H 1.83 . . 547 53 ARG HB3 H 1.83 . . 548 53 ARG CB C 29.40 . . 549 53 ARG HG3 H 1.59 . . 550 53 ARG CG C 26.77 . . 551 53 ARG HG2 H 1.72 . . 552 53 ARG HD2 H 3.29 . . 553 53 ARG HD3 H 3.29 . . 554 53 ARG CD C 43.40 . . 555 53 ARG H H 8.38 . . 556 53 ARG N N 121.98 . . 557 54 GLY HA3 H 4.46 . . 558 54 GLY CA C 44.67 . . 559 54 GLY HA2 H 3.56 . . 560 54 GLY H H 9.20 . . 561 54 GLY N N 118.50 . . 562 55 ASP HA H 4.65 . . 563 55 ASP CA C 55.09 . . 564 55 ASP HB3 H 2.44 . . 565 55 ASP CB C 41.41 . . 566 55 ASP HB2 H 2.90 . . 567 55 ASP H H 8.24 . . 568 55 ASP N N 124.18 . . 569 56 ILE HA H 4.97 . . 570 56 ILE CA C 59.62 . . 571 56 ILE HB H 1.67 . . 572 56 ILE CB C 28.27 . . 573 56 ILE HG13 H 1.73 . . 574 56 ILE CG1 C 38.39 . . 575 56 ILE HG12 H 1.11 . . 576 56 ILE HD1 H 0.82 . . 577 56 ILE CD1 C 13.07 . . 578 56 ILE HG2 H 0.84 . . 579 56 ILE CG2 C 18.06 . . 580 56 ILE H H 8.97 . . 581 56 ILE N N 122.59 . . 582 57 VAL HA H 4.66 . . 583 57 VAL CA C 59.70 . . 584 57 VAL HB H 1.72 . . 585 57 VAL CB C 34.49 . . 586 57 VAL HG1 H 0.72 . . 587 57 VAL CG1 C 21.62 . . 588 57 VAL HG2 H 0.72 . . 589 57 VAL CG2 C 21.62 . . 590 57 VAL H H 9.16 . . 591 57 VAL N N 128.94 . . 592 58 LYS HA H 4.66 . . 593 58 LYS CA C 54.48 . . 594 58 LYS HB3 H 1.54 . . 595 58 LYS CB C 35.48 . . 596 58 LYS HB2 H 1.91 . . 597 58 LYS HG2 H 0.94 . . 598 58 LYS HG3 H 0.94 . . 599 58 LYS CG C 24.79 . . 600 58 LYS HD3 H 1.62 . . 601 58 LYS CD C 30.10 . . 602 58 LYS HD2 H 1.72 . . 603 58 LYS HE3 H 2.80 . . 604 58 LYS CE C 41.81 . . 605 58 LYS HE2 H 2.73 . . 606 58 LYS H H 9.45 . . 607 58 LYS N N 131.76 . . 608 59 ILE HA H 4.62 . . 609 59 ILE CA C 60.34 . . 610 59 ILE HB H 1.62 . . 611 59 ILE CB C 38.17 . . 612 59 ILE HG13 H 1.32 . . 613 59 ILE CG1 C 27.48 . . 614 59 ILE HG12 H 1.64 . . 615 59 ILE HG2 H 0.53 . . 616 59 ILE CG2 C 17.35 . . 617 59 ILE HD1 H 0.64 . . 618 59 ILE CD1 C 13.86 . . 619 59 ILE H H 8.82 . . 620 59 ILE N N 130.65 . . 621 60 ILE HA H 4.53 . . 622 60 ILE CA C 60.65 . . 623 60 ILE HB H 1.71 . . 624 60 ILE CB C 40.07 . . 625 60 ILE HG13 H 1.34 . . 626 60 ILE CG1 C 27.96 . . 627 60 ILE HG12 H 0.90 . . 628 60 ILE HG2 H 0.76 . . 629 60 ILE CG2 C 18.46 . . 630 60 ILE HD1 H 0.76 . . 631 60 ILE CD1 C 14.50 . . 632 60 ILE H H 8.87 . . 633 60 ILE N N 130.16 . . 634 61 ARG HA H 4.66 . . 635 61 ARG CA C 54.56 . . 636 61 ARG HB3 H 1.60 . . 637 61 ARG CB C 32.63 . . 638 61 ARG HB2 H 1.80 . . 639 61 ARG HG2 H 1.44 . . 640 61 ARG HG3 H 1.44 . . 641 61 ARG CG C 27.96 . . 642 61 ARG HD2 H 3.12 . . 643 61 ARG HD3 H 3.12 . . 644 61 ARG CD C 43.24 . . 645 61 ARG H H 8.75 . . 646 61 ARG N N 130.19 . . 647 62 LYS HA H 5.02 . . 648 62 LYS CA C 55.03 . . 649 62 LYS HB3 H 1.65 . . 650 62 LYS CB C 34.61 . . 651 62 LYS HB2 H 1.79 . . 652 62 LYS HG2 H 1.37 . . 653 62 LYS HG3 H 1.37 . . 654 62 LYS CG C 25.34 . . 655 62 LYS HD2 H 1.62 . . 656 62 LYS HD3 H 1.62 . . 657 62 LYS CD C 29.22 . . 658 62 LYS HE2 H 2.91 . . 659 62 LYS HE3 H 2.91 . . 660 62 LYS CE C 41.97 . . 661 62 LYS H H 8.64 . . 662 62 LYS N N 126.46 . . 663 63 SER HA H 5.01 . . 664 63 SER CA C 55.48 . . 665 63 SER HB3 H 4.32 . . 666 63 SER CB C 64.07 . . 667 63 SER HB2 H 3.88 . . 668 63 SER H H 8.79 . . 669 63 SER N N 122.84 . . 670 64 PRO HA H 4.52 . . 671 64 PRO CA C 64.69 . . 672 64 PRO HB3 H 2.01 . . 673 64 PRO CB C 31.99 . . 674 64 PRO HB2 H 2.47 . . 675 64 PRO HG3 H 2.13 . . 676 64 PRO CG C 27.72 . . 677 64 PRO HG2 H 2.01 . . 678 64 PRO HD2 H 3.91 . . 679 64 PRO HD3 H 3.91 . . 680 64 PRO CD C 51.00 . . 681 65 THR HA H 4.42 . . 682 65 THR CA C 60.97 . . 683 65 THR HB H 4.57 . . 684 65 THR CB C 68.44 . . 685 65 THR HG2 H 1.18 . . 686 65 THR CG2 C 21.70 . . 687 65 THR H H 7.70 . . 688 65 THR N N 131.44 . . 689 66 ALA HA H 4.05 . . 690 66 ALA CA C 53.34 . . 691 66 ALA HB H 1.50 . . 692 66 ALA CB C 17.40 . . 693 66 ALA H H 8.02 . . 694 66 ALA N N 123.64 . . 695 67 GLU HA H 4.16 . . 696 67 GLU CA C 56.96 . . 697 67 GLU HB3 H 1.96 . . 698 67 GLU CB C 30.52 . . 699 67 GLU HB2 H 2.20 . . 700 67 GLU HG3 H 2.47 . . 701 67 GLU CG C 36.27 . . 702 67 GLU HG2 H 2.32 . . 703 67 GLU H H 7.77 . . 704 67 GLU N N 122.25 . . 705 68 GLU HA H 4.68 . . 706 68 GLU CA C 55.80 . . 707 68 GLU HB2 H 1.81 . . 708 68 GLU HB3 H 1.81 . . 709 68 GLU CB C 31.71 . . 710 68 GLU HG3 H 1.96 . . 711 68 GLU CG C 36.75 . . 712 68 GLU HG2 H 2.16 . . 713 68 GLU H H 8.37 . . 714 68 GLU N N 125.14 . . 715 69 PHE HA H 4.87 . . 716 69 PHE CA C 56.36 . . 717 69 PHE HB3 H 3.06 . . 718 69 PHE CB C 40.62 . . 719 69 PHE HB2 H 2.94 . . 720 69 PHE HD1 H 7.15 . . 721 69 PHE HD2 H 7.15 . . 722 69 PHE HE1 H 7.22 . . 723 69 PHE HE2 H 7.22 . . 724 69 PHE H H 8.82 . . 725 69 PHE N N 126.80 . . 726 70 VAL HA H 4.92 . . 727 70 VAL CA C 60.89 . . 728 70 VAL HB H 1.77 . . 729 70 VAL CB C 33.86 . . 730 70 VAL HG1 H 0.58 . . 731 70 VAL CG1 C 21.46 . . 732 70 VAL HG2 H 0.83 . . 733 70 VAL CG2 C 21.46 . . 734 70 VAL H H 8.49 . . 735 70 VAL N N 128.25 . . 736 71 THR HA H 4.44 . . 737 71 THR CA C 59.93 . . 738 71 THR HB H 4.11 . . 739 71 THR CB C 71.46 . . 740 71 THR HG2 H 1.11 . . 741 71 THR CG2 C 21.31 . . 742 71 THR H H 8.42 . . 743 71 THR N N 122.60 . . 744 72 TYR HA H 5.78 . . 745 72 TYR CA C 56.75 . . 746 72 TYR HB3 H 2.73 . . 747 72 TYR CB C 42.60 . . 748 72 TYR HB2 H 2.57 . . 749 72 TYR H H 8.00 . . 750 72 TYR N N 120.49 . . 751 72 TYR HD1 H 6.94 . . 752 72 TYR HD2 H 6.94 . . 753 72 TYR HE1 H 6.63 . . 754 72 TYR HE2 H 6.63 . . 755 73 ARG HA H 5.06 . . 756 73 ARG CA C 52.90 . . 757 73 ARG HB2 H 1.44 . . 758 73 ARG HB3 H 1.44 . . 759 73 ARG CB C 34.61 . . 760 73 ARG CG C 27.48 . . 761 73 ARG HD3 H 2.74 . . 762 73 ARG CD C 43.47 . . 763 73 ARG HD2 H 3.25 . . 764 73 ARG H H 9.11 . . 765 73 ARG N N 121.87 . . 766 74 LEU HA H 4.94 . . 767 74 LEU CA C 53.29 . . 768 74 LEU HB3 H 1.33 . . 769 74 LEU CB C 44.66 . . 770 74 LEU HB2 H 1.65 . . 771 74 LEU HG H 1.65 . . 772 74 LEU CG C 25.98 . . 773 74 LEU HD1 H 0.80 . . 774 74 LEU CD1 C 25.98 . . 775 74 LEU HD2 H 0.85 . . 776 74 LEU CD2 C 23.76 . . 777 74 LEU H H 8.41 . . 778 74 LEU N N 126.83 . . 779 75 VAL HA H 4.69 . . 780 75 VAL CA C 61.52 . . 781 75 VAL HB H 2.26 . . 782 75 VAL CB C 29.86 . . 783 75 VAL HG1 H 0.49 . . 784 75 VAL CG1 C 22.02 . . 785 75 VAL HG2 H 0.71 . . 786 75 VAL CG2 C 22.02 . . 787 75 VAL H H 8.87 . . 788 75 VAL N N 130.16 . . 789 76 GLN HA H 4.48 . . 790 76 GLN CA C 55.32 . . 791 76 GLN HB2 H 2.43 . . 792 76 GLN HB3 H 2.43 . . 793 76 GLN CB C 34.05 . . 794 76 GLN HG2 H 2.05 . . 795 76 GLN HG3 H 2.05 . . 796 76 GLN CG C 32.98 . . 797 76 GLN H H 9.09 . . 798 76 GLN N N 133.35 . . 799 77 ASP HA H 4.62 . . 800 77 ASP CA C 56.60 . . 801 77 ASP HB3 H 2.53 . . 802 77 ASP CB C 42.05 . . 803 77 ASP HB2 H 2.73 . . 804 77 ASP H H 8.19 . . 805 77 ASP N N 130.78 . . stop_ save_