data_4583 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The C-terminal Domain of the RNA Polymerase Alpha Subunit from Thermus Thermophilus ; _BMRB_accession_number 4583 _BMRB_flat_file_name bmr4583.str _Entry_type original _Submission_date 2000-05-05 _Accession_date 2000-09-07 _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 Wada T. . . 2 Yamazaki T. . . 3 Kyogoku Y. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 388 "13C chemical shifts" 251 "15N chemical shifts" 83 "coupling constants" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-12-19 original author . stop_ _Original_release_date 2000-12-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structure and the characteristic DNA binding property of the C-terminal domain of the RNA polymerase alpha subunit from Thermus thermophilus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20283639 _PubMed_ID 10821859 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wada T. . . 2 Yamazaki T. . . 3 Kyogoku Y. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 275 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16057 _Page_last 16063 _Year 2000 _Details . loop_ _Keyword TRANSCRIPTION 'RNA POLYMERASE' 'THERMUS THERMOPHILUS' stop_ save_ ################################## # Molecular system description # ################################## save_system_RNA_POLYMERASE _Saveframe_category molecular_system _Mol_system_name 'RNA POLYMERASE ALPHA SUBUNIT (2.7.7.-)' _Abbreviation_common 'RNA POLYMERASE ALPHA SUBUNIT' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA POLYMERASE ALPHA SUBUNIT' $RNA_POLYMERASE stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RNA_POLYMERASE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RNA POLYMERASE ALPHA SUBUNIT' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; AAPEEAKEPEAPPEQEEELD LPLEELGLSTRVLHSLKEEG IESVRALLALNLKDLKNIPG IGERSLEEIKEALEKKGFTL KE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 234 ALA 2 235 ALA 3 236 PRO 4 237 GLU 5 238 GLU 6 239 ALA 7 240 LYS 8 241 GLU 9 242 PRO 10 243 GLU 11 244 ALA 12 245 PRO 13 246 PRO 14 247 GLU 15 248 GLN 16 249 GLU 17 250 GLU 18 251 GLU 19 252 LEU 20 253 ASP 21 254 LEU 22 255 PRO 23 256 LEU 24 257 GLU 25 258 GLU 26 259 LEU 27 260 GLY 28 261 LEU 29 262 SER 30 263 THR 31 264 ARG 32 265 VAL 33 266 LEU 34 267 HIS 35 268 SER 36 269 LEU 37 270 LYS 38 271 GLU 39 272 GLU 40 273 GLY 41 274 ILE 42 275 GLU 43 276 SER 44 277 VAL 45 278 ARG 46 279 ALA 47 280 LEU 48 281 LEU 49 282 ALA 50 283 LEU 51 284 ASN 52 285 LEU 53 286 LYS 54 287 ASP 55 288 LEU 56 289 LYS 57 290 ASN 58 291 ILE 59 292 PRO 60 293 GLY 61 294 ILE 62 295 GLY 63 296 GLU 64 297 ARG 65 298 SER 66 299 LEU 67 300 GLU 68 301 GLU 69 302 ILE 70 303 LYS 71 304 GLU 72 305 ALA 73 306 LEU 74 307 GLU 75 308 LYS 76 309 LYS 77 310 GLY 78 311 PHE 79 312 THR 80 313 LEU 81 314 LYS 82 315 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-04 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 PDB 1DOQ "The C-Terminal Domain Of The Rna Polymerase Alpha Subunit From Thermus Thermophilus" 84.15 69 100.00 100.00 5.56e-36 PDB 1IW7 "Crystal Structure Of The Rna Polymerase Holoenzyme From Thermus Thermophilus At 2.6a Resolution" 100.00 315 100.00 100.00 3.25e-43 PDB 1SMY "Structural Basis For Transcription Regulation By Alarmone Ppgpp" 100.00 315 100.00 100.00 3.25e-43 PDB 1ZYR "Structure Of Thermus Thermophilus Rna Polymerase Holoenzyme In Complex With The Antibiotic Streptolydigin" 100.00 315 100.00 100.00 3.25e-43 PDB 2A68 "Crystal Structure Of The T. Thermophilus Rna Polymerase Holoenzyme In Complex With Antibiotic Rifabutin" 100.00 315 100.00 100.00 3.25e-43 PDB 2A69 "Crystal Structure Of The T. Thermophilus Rna Polymerase Holoenzyme In Complex With Antibiotic Rifapentin" 100.00 315 100.00 100.00 3.25e-43 PDB 2A6E "Crystal Structure Of The T. Thermophilus Rna Polymerase Holoenzyme" 100.00 315 100.00 100.00 3.25e-43 PDB 2A6H "Crystal Structure Of The T. Thermophilus Rna Polymerase Holoenzyme In Complex With Antibiotic Sterptolydigin" 100.00 315 100.00 100.00 3.25e-43 PDB 2BE5 "Crystal Structure Of The T. Thermophilus Rna Polymerase Holoenzyme In Complex With Inhibitor Tagetitoxin" 100.00 315 100.00 100.00 3.25e-43 PDB 2CW0 "Crystal Structure Of Thermus Thermophilus Rna Polymerase Holoenzyme At 3.3 Angstroms Resolution" 100.00 315 100.00 100.00 3.25e-43 PDB 2O5I "Crystal Structure Of The T. Thermophilus Rna Polymerase Elongation Complex" 100.00 315 100.00 100.00 3.25e-43 PDB 2O5J "Crystal Structure Of The T. Thermophilus Rnap Polymerase Elongation Complex With The Ntp Substrate Analog" 100.00 315 100.00 100.00 3.25e-43 PDB 2PPB "Crystal Structure Of The T. Thermophilus Rnap Polymerase Elongation Complex With The Ntp Substrate Analog And Antibiotic Strept" 100.00 315 100.00 100.00 3.25e-43 PDB 3AOH "Rna Polymerase-Gfh1 Complex (Crystal Type 1)" 100.00 315 100.00 100.00 3.25e-43 PDB 3AOI "Rna Polymerase-Gfh1 Complex (Crystal Type 2)" 100.00 315 100.00 100.00 3.25e-43 PDB 3DXJ "Crystal Structure Of Thermus Thermophilus Rna Polymerase Holoenzyme In Complex With The Antibiotic Myxopyronin" 100.00 315 100.00 100.00 3.25e-43 PDB 3EQL "Crystal Structure Of The T. Thermophilus Rna Polymerase Holoenzyme In Complex With Antibiotic Myxopyronin" 100.00 315 100.00 100.00 3.25e-43 PDB 3WOD "Rna Polymerase-gp39 Complex" 100.00 315 100.00 100.00 3.25e-43 PDB 4G7H "Crystal Structure Of Thermus Thermophilus Transcription Initiation Complex" 100.00 315 100.00 100.00 3.25e-43 PDB 4G7O "Crystal Structure Of Thermus Thermophilus Transcription Initiation Complex Containing 2 Nt Of Rna" 100.00 315 100.00 100.00 3.25e-43 PDB 4G7Z "Crystal Structure Of Thermus Thermophilus Transcription Initiation Complex Containing 5-Bru At Template-Strand Position +1" 100.00 315 100.00 100.00 3.25e-43 PDB 4GZY "Crystal Structures Of Bacterial Rna Polymerase Paused Elongation Complexes" 100.00 315 100.00 100.00 3.25e-43 PDB 4GZZ "Crystal Structures Of Bacterial Rna Polymerase Paused Elongation Complexes" 100.00 315 100.00 100.00 3.25e-43 PDB 4MQ9 "Crystal Structure Of Thermus Thermophilus Rna Polymerase Holoenzyme In Complex With Ge23077" 98.78 314 100.00 100.00 1.08e-42 PDB 4OIN "Crystal Structure Of Thermus Thermophilus Transcription Initiation Complex Soaked With Ge23077" 100.00 315 100.00 100.00 3.25e-43 PDB 4OIO "Crystal Structure Of Thermus Thermophilus Pre-insertion Substrate Complex For De Novo Transcription Initiation" 100.00 315 100.00 100.00 3.25e-43 PDB 4OIP "Crystal Structure Of Thermus Thermophilus Transcription Initiation Complex Soaked With Ge23077, Atp, And Cmpcpp" 100.00 315 100.00 100.00 3.25e-43 PDB 4OIQ "Crystal Structure Of Thermus Thermophilus Transcription Initiation Complex Soaked With Ge23077 And Rifampicin" 100.00 315 100.00 100.00 3.25e-43 PDB 4OIR "Crystal Structure Of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked With Ge23077 And Rifamycin Sv" 87.80 305 100.00 100.00 3.15e-36 PDB 4Q4Z "Thermus Thermophilus Rna Polymerase De Novo Transcription Initiation Complex" 100.00 315 100.00 100.00 3.25e-43 PDB 4Q5S "Thermus Thermophilus Rna Polymerase Initially Transcribing Complex Containing 6-mer Rna" 100.00 315 100.00 100.00 3.25e-43 PDB 4WQS "Thermus Thermophilus Rna Polymerase Backtracked Complex" 100.00 315 100.00 100.00 3.25e-43 PDB 4WQT "Thermus Thermophilus Rna Polymerase Complexed With An Rna Cleavage Stimulating Factor (a Grea/gfh1 Chimeric Protein)" 100.00 315 100.00 100.00 3.25e-43 DBJ BAA75549 "RNA polymerase alpha subunit [Thermus thermophilus]" 100.00 315 100.00 100.00 3.25e-43 DBJ BAA88567 "C-terminal domain of the RNA polymerase alpha subunit [synthetic construct]" 100.00 85 100.00 100.00 4.09e-45 DBJ BAD71487 "DNA-directed RNA polymerase alpha chain [Thermus thermophilus HB8]" 100.00 315 100.00 100.00 3.25e-43 GB AAS81642 "DNA-directed RNA polymerase alpha chain [Thermus thermophilus HB27]" 100.00 315 100.00 100.00 3.25e-43 GB AEG34077 "DNA-directed RNA polymerase subunit alpha [Thermus thermophilus SG0.5JP17-16]" 100.00 315 100.00 100.00 3.05e-43 GB AFH38290 "DNA-directed RNA polymerase, alpha subunit [Thermus thermophilus JL-18]" 100.00 315 98.78 98.78 1.40e-42 GB EIA38525 "DNA-directed RNA polymerase subunit alpha [Thermus sp. RL]" 100.00 315 100.00 100.00 3.05e-43 PIR JE0397 "DNA-directed RNA polymerase (EC 2.7.7.6) alpha chain - Thermus aquaticus (strain HB8)" 100.00 315 100.00 100.00 3.25e-43 REF WP_008633361 "MULTISPECIES: DNA-directed RNA polymerase subunit alpha [Thermus]" 100.00 315 100.00 100.00 3.05e-43 REF WP_011173698 "DNA-directed RNA polymerase subunit alpha [Thermus thermophilus]" 100.00 315 100.00 100.00 3.25e-43 REF WP_014629067 "DNA-directed RNA polymerase subunit alpha [Thermus thermophilus]" 100.00 315 98.78 98.78 1.40e-42 REF YP_144930 "DNA-directed RNA polymerase subunit alpha [Thermus thermophilus HB8]" 100.00 315 100.00 100.00 3.25e-43 SP Q5SHR6 "RecName: Full=DNA-directed RNA polymerase subunit alpha; Short=RNAP subunit alpha; AltName: Full=RNA polymerase subunit alpha; " 100.00 315 100.00 100.00 3.25e-43 SP Q72I32 "RecName: Full=DNA-directed RNA polymerase subunit alpha; Short=RNAP subunit alpha; AltName: Full=RNA polymerase subunit alpha; " 100.00 315 100.00 100.00 3.25e-43 SP Q9Z9H6 "RecName: Full=DNA-directed RNA polymerase subunit alpha; Short=RNAP subunit alpha; AltName: Full=RNA polymerase subunit alpha; " 100.00 315 100.00 100.00 3.25e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RNA_POLYMERASE . 274 Bacteria . Thermus thermophilus 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 $RNA_POLYMERASE 'recombinant technology' . Escherichia coli . PET15 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 $RNA_POLYMERASE 2 mM '[U-13C; U-15N]' phosphate 20 mM . KCl 30 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Saveframe_category software _Name NMRPIPE _Version . loop_ _Task 'data collection' stop_ _Details 'BAX, A' save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.1 loop_ _Task 'data processing' stop_ _Details 'BRUNGER, A. T.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . n/a temperature 310 . K 'ionic strength' 50 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 . H 1 . ppm 0 . . . . . . C 13 . ppm 0 . . . . . . N 15 . ppm 0 . . . . . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'RNA POLYMERASE ALPHA SUBUNIT' _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 . 1 ALA N N 128.80 . . 2 . 1 ALA H H 8.33 . . 3 . 1 ALA CA C 52.13 . . 4 . 1 ALA HA H 4.31 . . 5 . 1 ALA CB C 19.18 . . 6 . 1 ALA HB H 1.37 . . 7 . 2 ALA N N 125.57 . . 8 . 2 ALA H H 8.17 . . 9 . 2 ALA CA C 50.31 . . 10 . 2 ALA HA H 4.59 . . 11 . 2 ALA CB C 18.37 . . 12 . 2 ALA HB H 1.35 . . 13 . 3 PRO N N 136.32 . . 14 . 3 PRO CA C 63.56 . . 15 . 3 PRO HA H 4.40 . . 16 . 3 PRO CB C 32.19 . . 17 . 3 PRO HB2 H 2.30 . . 18 . 3 PRO HB3 H 1.92 . . 19 . 3 PRO HG2 H 2.03 . . 20 . 3 PRO HD2 H 3.80 . . 21 . 3 PRO HD3 H 3.69 . . 22 . 3 PRO CG C 27.44 . . 23 . 3 PRO CD C 50.56 . . 24 . 4 GLU N N 121.09 . . 25 . 4 GLU H H 8.47 . . 26 . 4 GLU CA C 56.94 . . 27 . 4 GLU HA H 4.10 . . 28 . 4 GLU CB C 30.04 . . 29 . 4 GLU HG2 H 2.48 . . 30 . 4 GLU HG3 H 2.24 . . 31 . 4 GLU CG C 36.63 . . 32 . 5 GLU N N 122.26 . . 33 . 5 GLU H H 8.22 . . 34 . 5 GLU CA C 56.55 . . 35 . 5 GLU HA H 4.25 . . 36 . 5 GLU CB C 30.33 . . 37 . 5 GLU HB2 H 2.02 . . 38 . 5 GLU HB3 H 1.96 . . 39 . 5 GLU HG2 H 2.21 . . 40 . 5 GLU CG C 34.23 . . 41 . 6 ALA N N 125.98 . . 42 . 6 ALA H H 8.17 . . 43 . 6 ALA CA C 52.33 . . 44 . 6 ALA HA H 4.30 . . 45 . 6 ALA CB C 18.94 . . 46 . 6 ALA HB H 1.35 . . 47 . 7 LYS N N 121.80 . . 48 . 7 LYS H H 8.11 . . 49 . 7 LYS CA C 55.66 . . 50 . 7 LYS HA H 4.33 . . 51 . 7 LYS CB C 33.52 . . 52 . 7 LYS HB2 H 1.79 . . 53 . 7 LYS HB3 H 1.72 . . 54 . 7 LYS HG2 H 1.42 . . 55 . 7 LYS HD2 H 1.67 . . 56 . 7 LYS HE2 H 2.99 . . 57 . 7 LYS CG C 24.55 . . 58 . 7 LYS CD C 29.04 . . 59 . 7 LYS CE C 42.06 . . 60 . 8 GLU N N 124.55 . . 61 . 8 GLU H H 8.38 . . 62 . 8 GLU CA C 54.69 . . 63 . 8 GLU HA H 4.54 . . 64 . 8 GLU CB C 29.60 . . 65 . 8 GLU HB2 H 2.04 . . 66 . 8 GLU HB3 H 1.89 . . 67 . 8 GLU HG2 H 2.30 . . 68 . 8 GLU CG C 36.00 . . 69 . 9 PRO N N 137.42 . . 70 . 9 PRO CA C 63.16 . . 71 . 9 PRO HA H 4.40 . . 72 . 10 GLU N N 121.89 . . 73 . 10 GLU H H 8.35 . . 74 . 10 GLU CA C 56.26 . . 75 . 10 GLU HA H 4.23 . . 76 . 10 GLU CB C 30.53 . . 77 . 10 GLU HB2 H 1.93 . . 78 . 10 GLU HG2 H 2.26 . . 79 . 11 ALA N N 127.18 . . 80 . 11 ALA H H 8.20 . . 81 . 11 ALA CA C 50.27 . . 82 . 11 ALA HA H 4.59 . . 83 . 11 ALA CB C 18.37 . . 84 . 11 ALA HB H 1.35 . . 85 . 12 PRO N N 137.44 . . 86 . 12 PRO CA C 61.42 . . 87 . 12 PRO HA H 4.70 . . 88 . 12 PRO CB C 30.94 . . 89 . 12 PRO HB2 H 2.35 . . 90 . 12 PRO HB3 H 1.93 . . 91 . 12 PRO HG2 H 2.04 . . 92 . 12 PRO HD2 H 3.81 . . 93 . 12 PRO HD3 H 3.63 . . 94 . 12 PRO CG C 27.37 . . 95 . 12 PRO CD C 50.54 . . 96 . 13 PRO N N 135.89 . . 97 . 13 PRO CA C 63.02 . . 98 . 13 PRO HA H 4.43 . . 99 . 14 GLU N N 121.44 . . 100 . 14 GLU H H 8.44 . . 101 . 14 GLU CA C 56.81 . . 102 . 14 GLU HA H 4.23 . . 103 . 14 GLU CB C 30.15 . . 104 . 14 GLU HB2 H 2.04 . . 105 . 14 GLU HB3 H 1.95 . . 106 . 14 GLU HG2 H 2.27 . . 107 . 14 GLU CG C 36.41 . . 108 . 15 GLN N N 121.67 . . 109 . 15 GLN H H 8.29 . . 110 . 15 GLN CA C 55.96 . . 111 . 15 GLN HA H 4.36 . . 112 . 15 GLN CB C 29.71 . . 113 . 15 GLN HB2 H 2.11 . . 114 . 15 GLN HB3 H 2.01 . . 115 . 15 GLN HG2 H 2.32 . . 116 . 15 GLN HE21 H 7.49 . . 117 . 15 GLN HE22 H 6.77 . . 118 . 15 GLN CG C 33.91 . . 119 . 15 GLN NE2 N 112.64 . . 120 . 16 GLU N N 123.31 . . 121 . 16 GLU H H 8.40 . . 122 . 16 GLU CA C 57.04 . . 123 . 16 GLU HA H 4.25 . . 124 . 16 GLU HB2 H 1.98 . . 125 . 16 GLU HG2 H 2.26 . . 126 . 17 GLU N N 122.41 . . 127 . 17 GLU H H 8.42 . . 128 . 17 GLU CA C 56.97 . . 129 . 17 GLU HA H 4.26 . . 130 . 17 GLU CB C 30.28 . . 131 . 17 GLU HB2 H 1.99 . . 132 . 17 GLU HG2 H 2.27 . . 133 . 18 GLU N N 122.31 . . 134 . 18 GLU H H 8.42 . . 135 . 18 GLU CA C 57.04 . . 136 . 18 GLU HA H 4.31 . . 137 . 18 GLU CB C 29.80 . . 138 . 18 GLU HB2 H 2.01 . . 139 . 18 GLU HG2 H 2.29 . . 140 . 19 LEU N N 121.90 . . 141 . 19 LEU H H 7.98 . . 142 . 19 LEU CA C 55.83 . . 143 . 19 LEU HA H 4.16 . . 144 . 19 LEU CB C 42.64 . . 145 . 19 LEU HB2 H 1.65 . . 146 . 19 LEU HB3 H 1.43 . . 147 . 19 LEU HG H 1.63 . . 148 . 19 LEU HD1 H 0.90 . . 149 . 19 LEU HD2 H 0.77 . . 150 . 19 LEU CG C 27.20 . . 151 . 19 LEU CD1 C 24.97 . . 152 . 19 LEU CD2 C 24.02 . . 153 . 20 ASP N N 121.00 . . 154 . 20 ASP H H 8.12 . . 155 . 20 ASP CA C 53.37 . . 156 . 20 ASP HA H 4.82 . . 157 . 20 ASP CB C 41.63 . . 158 . 20 ASP HB2 H 2.78 . . 159 . 20 ASP HB3 H 2.51 . . 160 . 21 LEU N N 123.47 . . 161 . 21 LEU H H 7.91 . . 162 . 21 LEU CA C 52.92 . . 163 . 21 LEU HA H 4.64 . . 164 . 21 LEU CB C 43.92 . . 165 . 21 LEU HB2 H 1.56 . . 166 . 21 LEU HG H 1.77 . . 167 . 21 LEU HD1 H 1.02 . . 168 . 21 LEU HD2 H 0.95 . . 169 . 21 LEU CG C 26.66 . . 170 . 21 LEU CD1 C 25.27 . . 171 . 21 LEU CD2 C 17.45 . . 172 . 22 PRO N N 136.64 . . 173 . 22 PRO CA C 61.81 . . 174 . 22 PRO HA H 4.42 . . 175 . 22 PRO CB C 32.45 . . 176 . 22 PRO HB2 H 2.56 . . 177 . 22 PRO HB3 H 2.13 . . 178 . 22 PRO HG2 H 2.13 . . 179 . 22 PRO HD2 H 3.98 . . 180 . 22 PRO CG C 27.85 . . 181 . 22 PRO CD C 51.34 . . 182 . 23 LEU N N 121.51 . . 183 . 23 LEU H H 7.99 . . 184 . 23 LEU CA C 57.47 . . 185 . 23 LEU HA H 3.70 . . 186 . 23 LEU CB C 42.40 . . 187 . 23 LEU HB2 H 1.39 . . 188 . 23 LEU HB3 H 1.22 . . 189 . 23 LEU HG H 1.28 . . 190 . 23 LEU HD1 H 0.72 . . 191 . 23 LEU HD2 H 0.63 . . 192 . 23 LEU CG C 26.97 . . 193 . 23 LEU CD1 C 26.60 . . 194 . 23 LEU CD2 C 24.00 . . 195 . 24 GLU N N 119.85 . . 196 . 24 GLU H H 9.89 . . 197 . 24 GLU CA C 60.81 . . 198 . 24 GLU HA H 3.87 . . 199 . 24 GLU CB C 29.27 . . 200 . 24 GLU HB2 H 2.04 . . 201 . 24 GLU HG2 H 2.57 . . 202 . 24 GLU HG3 H 2.29 . . 203 . 24 GLU CG C 37.87 . . 204 . 25 GLU N N 117.23 . . 205 . 25 GLU H H 7.65 . . 206 . 25 GLU CA C 57.16 . . 207 . 25 GLU HA H 4.27 . . 208 . 25 GLU CB C 29.46 . . 209 . 25 GLU HB2 H 2.30 . . 210 . 25 GLU HB3 H 1.92 . . 211 . 26 LEU N N 117.01 . . 212 . 26 LEU H H 7.71 . . 213 . 26 LEU CA C 55.37 . . 214 . 26 LEU HA H 4.22 . . 215 . 26 LEU CB C 42.72 . . 216 . 26 LEU HB2 H 1.76 . . 217 . 26 LEU HB3 H 1.54 . . 218 . 26 LEU HD1 H 0.80 . . 219 . 26 LEU HD2 H 0.77 . . 220 . 26 LEU CD1 C 25.61 . . 221 . 26 LEU CD2 C 23.28 . . 222 . 27 GLY N N 107.41 . . 223 . 27 GLY H H 7.72 . . 224 . 27 GLY CA C 46.46 . . 225 . 27 GLY HA2 H 3.95 . . 226 . 28 LEU N N 119.68 . . 227 . 28 LEU H H 7.94 . . 228 . 28 LEU CA C 53.78 . . 229 . 28 LEU HA H 4.25 . . 230 . 28 LEU CB C 43.37 . . 231 . 28 LEU HB2 H 1.67 . . 232 . 28 LEU HB3 H 1.39 . . 233 . 28 LEU HG H 1.52 . . 234 . 28 LEU HD1 H 0.73 . . 235 . 28 LEU HD2 H 0.77 . . 236 . 28 LEU CG C 26.81 . . 237 . 28 LEU CD1 C 25.98 . . 238 . 28 LEU CD2 C 23.33 . . 239 . 29 SER N N 118.81 . . 240 . 29 SER H H 9.39 . . 241 . 29 SER CA C 58.30 . . 242 . 29 SER HA H 4.29 . . 243 . 29 SER CB C 63.72 . . 244 . 29 SER HB2 H 4.19 . . 245 . 30 THR N N 117.60 . . 246 . 30 THR H H 8.53 . . 247 . 30 THR CA C 66.37 . . 248 . 30 THR HA H 3.80 . . 249 . 30 THR CB C 68.39 . . 250 . 30 THR HB H 4.10 . . 251 . 30 THR HG2 H 1.20 . . 252 . 30 THR CG2 C 21.98 . . 253 . 31 ARG N N 120.19 . . 254 . 31 ARG H H 8.35 . . 255 . 31 ARG CA C 59.42 . . 256 . 31 ARG HA H 4.16 . . 257 . 31 ARG CB C 30.01 . . 258 . 31 ARG HB2 H 1.88 . . 259 . 31 ARG HG2 H 1.70 . . 260 . 31 ARG HD2 H 3.22 . . 261 . 31 ARG CG C 26.96 . . 262 . 31 ARG CD C 43.07 . . 263 . 32 VAL N N 122.04 . . 264 . 32 VAL H H 7.17 . . 265 . 32 VAL CA C 66.42 . . 266 . 32 VAL HA H 3.54 . . 267 . 32 VAL CB C 31.46 . . 268 . 32 VAL HB H 2.13 . . 269 . 32 VAL HG1 H 1.03 . . 270 . 32 VAL HG2 H 0.88 . . 271 . 32 VAL CG1 C 24.29 . . 272 . 32 VAL CG2 C 22.16 . . 273 . 33 LEU N N 120.20 . . 274 . 33 LEU H H 8.33 . . 275 . 33 LEU CA C 58.73 . . 276 . 33 LEU HA H 3.79 . . 277 . 33 LEU CB C 41.9 . . 278 . 33 LEU HB2 H 1.76 . . 279 . 33 LEU HB3 H 1.60 . . 280 . 33 LEU HD1 H 0.89 . . 281 . 33 LEU HD2 H 0.81 . . 282 . 33 LEU CD1 C 25.19 . . 283 . 33 LEU CD2 C 25.21 . . 284 . 34 HIS N N 116.34 . . 285 . 34 HIS H H 8.46 . . 286 . 34 HIS CA C 59.47 . . 287 . 34 HIS HA H 4.24 . . 288 . 34 HIS CB C 29.18 . . 289 . 34 HIS HB2 H 3.29 . . 290 . 35 SER N N 116.39 . . 291 . 35 SER H H 7.87 . . 292 . 35 SER CA C 62.98 . . 293 . 35 SER HA H 4.17 . . 294 . 35 SER CB C 62.14 . . 295 . 35 SER HB2 H 4.00 . . 296 . 35 SER HB3 H 3.98 . . 297 . 36 LEU N N 120.51 . . 298 . 36 LEU H H 7.84 . . 299 . 36 LEU CA C 57.93 . . 300 . 36 LEU HA H 3.97 . . 301 . 36 LEU CB C 41.12 . . 302 . 36 LEU HB2 H 1.89 . . 303 . 36 LEU HB3 H 1.35 . . 304 . 36 LEU HG H 1.89 . . 305 . 36 LEU HD1 H 0.67 . . 306 . 36 LEU HD2 H 0.67 . . 307 . 36 LEU CG C 26.79 . . 308 . 36 LEU CD1 C 22.96 . . 309 . 36 LEU CD2 C 22.18 . . 310 . 37 LYS N N 120.99 . . 311 . 37 LYS H H 8.43 . . 312 . 37 LYS CA C 59.81 . . 313 . 37 LYS HA H 3.90 . . 314 . 37 LYS CB C 31.64 . . 315 . 37 LYS HB2 H 1.85 . . 316 . 37 LYS HG2 H 1.46 . . 317 . 37 LYS HE2 H 2.98 . . 318 . 37 LYS CG C 24.96 . . 319 . 38 GLU N N 121.08 . . 320 . 38 GLU H H 8.20 . . 321 . 38 GLU CA C 59.16 . . 322 . 38 GLU HA H 3.98 . . 323 . 38 GLU CB C 29.46 . . 324 . 38 GLU HB2 H 2.11 . . 325 . 38 GLU HB3 H 2.02 . . 326 . 39 GLU N N 117.66 . . 327 . 39 GLU H H 7.03 . . 328 . 39 GLU CA C 54.98 . . 329 . 39 GLU HA H 4.42 . . 330 . 39 GLU CB C 29.51 . . 331 . 39 GLU HB2 H 2.36 . . 332 . 39 GLU HB3 H 1.90 . . 333 . 39 GLU HG2 H 2.48 . . 334 . 39 GLU HG3 H 2.35 . . 335 . 39 GLU CG C 35.61 . . 336 . 40 GLY N N 107.34 . . 337 . 40 GLY H H 7.84 . . 338 . 40 GLY CA C 45.22 . . 339 . 40 GLY HA2 H 4.17 . . 340 . 41 ILE N N 123.39 . . 341 . 41 ILE H H 7.70 . . 342 . 41 ILE CA C 60.41 . . 343 . 41 ILE HA H 3.89 . . 344 . 41 ILE CB C 36.46 . . 345 . 41 ILE HB H 1.81 . . 346 . 41 ILE HG12 H 1.33 . . 347 . 41 ILE HG13 H 1.07 . . 348 . 41 ILE HG2 H 0.76 . . 349 . 41 ILE HD1 H 0.76 . . 350 . 41 ILE CG1 C 26.84 . . 351 . 41 ILE CG2 C 18.01 . . 352 . 41 ILE CD1 C 13.35 . . 353 . 42 GLU N N 120.86 . . 354 . 42 GLU H H 8.29 . . 355 . 42 GLU CA C 56.12 . . 356 . 42 GLU HA H 4.53 . . 357 . 42 GLU CB C 31.86 . . 358 . 42 GLU HB2 H 1.89 . . 359 . 42 GLU HG2 H 2.24 . . 360 . 42 GLU HG3 H 2.11 . . 361 . 42 GLU CG C 36.49 . . 362 . 43 SER N N 114.29 . . 363 . 43 SER H H 7.48 . . 364 . 43 SER CA C 56.09 . . 365 . 43 SER HA H 5.08 . . 366 . 43 SER CB C 66.91 . . 367 . 43 SER HB2 H 4.12 . . 368 . 43 SER HB3 H 3.78 . . 369 . 44 VAL N N 122.43 . . 370 . 44 VAL H H 8.72 . . 371 . 44 VAL CA C 67.45 . . 372 . 44 VAL HA H 3.31 . . 373 . 44 VAL CB C 31.36 . . 374 . 44 VAL HB H 2.03 . . 375 . 44 VAL HG1 H 0.84 . . 376 . 44 VAL HG2 H 0.34 . . 377 . 44 VAL CG1 C 24.77 . . 378 . 44 VAL CG2 C 21.31 . . 379 . 45 ARG N N 120.11 . . 380 . 45 ARG H H 8.89 . . 381 . 45 ARG CA C 59.74 . . 382 . 45 ARG HA H 3.62 . . 383 . 45 ARG CB C 29.91 . . 384 . 45 ARG HB2 H 1.84 . . 385 . 45 ARG HB3 H 1.62 . . 386 . 45 ARG HG2 H 1.47 . . 387 . 45 ARG HD2 H 3.18 . . 388 . 45 ARG HD3 H 3.05 . . 389 . 45 ARG CG C 27.48 . . 390 . 45 ARG CD C 43.08 . . 391 . 46 ALA N N 120.45 . . 392 . 46 ALA H H 7.34 . . 393 . 46 ALA CA C 54.39 . . 394 . 46 ALA HA H 4.08 . . 395 . 46 ALA CB C 19.42 . . 396 . 46 ALA HB H 1.54 . . 397 . 47 LEU N N 120.86 . . 398 . 47 LEU H H 7.46 . . 399 . 47 LEU CA C 57.81 . . 400 . 47 LEU HA H 3.97 . . 401 . 47 LEU CB C 42.28 . . 402 . 47 LEU HB2 H 2.04 . . 403 . 47 LEU HB3 H 1.34 . . 404 . 47 LEU HD1 H 0.74 . . 405 . 47 LEU CD1 C 26.85 . . 406 . 48 LEU N N 115.33 . . 407 . 48 LEU H H 8.09 . . 408 . 48 LEU CA C 55.83 . . 409 . 48 LEU HA H 4.07 . . 410 . 48 LEU CB C 41.63 . . 411 . 48 LEU HB2 H 1.60 . . 412 . 48 LEU HB3 H 1.53 . . 413 . 48 LEU HG H 1.63 . . 414 . 48 LEU HD1 H 0.71 . . 415 . 48 LEU HD2 H 0.47 . . 416 . 48 LEU CG C 26.65 . . 417 . 48 LEU CD1 C 26.81 . . 418 . 48 LEU CD2 C 26.01 . . 419 . 49 ALA N N 120.00 . . 420 . 49 ALA H H 7.07 . . 421 . 49 ALA CA C 52.74 . . 422 . 49 ALA HA H 4.22 . . 423 . 49 ALA CB C 18.71 . . 424 . 49 ALA HB H 1.43 . . 425 . 50 LEU N N 120.92 . . 426 . 50 LEU H H 7.44 . . 427 . 50 LEU CA C 54.55 . . 428 . 50 LEU HA H 4.44 . . 429 . 50 LEU CB C 42.71 . . 430 . 50 LEU HB2 H 1.96 . . 431 . 50 LEU HB3 H 1.47 . . 432 . 50 LEU HG H 1.89 . . 433 . 50 LEU HD1 H 0.88 . . 434 . 50 LEU HD2 H 0.82 . . 435 . 50 LEU CG C 27.22 . . 436 . 50 LEU CD1 C 26.13 . . 437 . 50 LEU CD2 C 23.69 . . 438 . 51 ASN N N 119.06 . . 439 . 51 ASN H H 8.55 . . 440 . 51 ASN CA C 52.09 . . 441 . 51 ASN HA H 4.82 . . 442 . 51 ASN CB C 39.86 . . 443 . 51 ASN HB2 H 2.91 . . 444 . 51 ASN HB3 H 2.80 . . 445 . 52 LEU N N 123.90 . . 446 . 52 LEU H H 8.80 . . 447 . 52 LEU CA C 59.07 . . 448 . 52 LEU HA H 3.89 . . 449 . 52 LEU CB C 41.85 . . 450 . 52 LEU HB2 H 1.75 . . 451 . 52 LEU HB3 H 1.65 . . 452 . 52 LEU HG H 1.69 . . 453 . 52 LEU HD1 H 0.90 . . 454 . 52 LEU CG C 27.25 . . 455 . 52 LEU CD1 C 24.99 . . 456 . 53 LYS N N 116.92 . . 457 . 53 LYS H H 8.21 . . 458 . 53 LYS CA C 59.37 . . 459 . 53 LYS HA H 3.86 . . 460 . 53 LYS CB C 31.67 . . 461 . 53 LYS HB2 H 1.80 . . 462 . 53 LYS HG2 H 1.42 . . 463 . 53 LYS HE2 H 3.03 . . 464 . 54 ASP N N 118.87 . . 465 . 54 ASP H H 7.66 . . 466 . 54 ASP CA C 56.93 . . 467 . 54 ASP HA H 4.46 . . 468 . 54 ASP CB C 41.29 . . 469 . 54 ASP HB2 H 2.86 . . 470 . 54 ASP HB3 H 2.69 . . 471 . 55 LEU N N 122.47 . . 472 . 55 LEU H H 8.01 . . 473 . 55 LEU CA C 57.95 . . 474 . 55 LEU HA H 3.96 . . 475 . 55 LEU CB C 42.18 . . 476 . 55 LEU HB2 H 1.72 . . 477 . 55 LEU HB3 H 1.58 . . 478 . 55 LEU HG H 0.82 . . 479 . 55 LEU CG C 25.25 . . 480 . 56 LYS N N 114.43 . . 481 . 56 LYS H H 7.70 . . 482 . 56 LYS CA C 58.23 . . 483 . 56 LYS HA H 3.92 . . 484 . 56 LYS CB C 32.46 . . 485 . 56 LYS HB2 H 1.81 . . 486 . 56 LYS HG2 H 1.48 . . 487 . 56 LYS HE2 H 2.89 . . 488 . 56 LYS CE C 41.75 . . 489 . 57 ASN N N 115.45 . . 490 . 57 ASN H H 7.21 . . 491 . 57 ASN CA C 52.86 . . 492 . 57 ASN HA H 4.74 . . 493 . 57 ASN CB C 39.54 . . 494 . 57 ASN HB2 H 3.00 . . 495 . 57 ASN HB3 H 2.75 . . 496 . 58 ILE N N 126.02 . . 497 . 58 ILE H H 7.47 . . 498 . 58 ILE CA C 60.22 . . 499 . 58 ILE HA H 4.17 . . 500 . 58 ILE CB C 37.95 . . 501 . 58 ILE HB H 1.99 . . 502 . 58 ILE HG12 H 1.95 . . 503 . 58 ILE HG13 H 1.06 . . 504 . 58 ILE HG2 H 0.83 . . 505 . 58 ILE HD1 H 0.81 . . 506 . 58 ILE CG1 C 27.97 . . 507 . 58 ILE CG2 C 16.46 . . 508 . 58 ILE CD1 C 13.84 . . 509 . 59 PRO N N 144.29 . . 510 . 59 PRO CA C 64.36 . . 511 . 59 PRO HA H 4.22 . . 512 . 59 PRO CB C 31.65 . . 513 . 59 PRO HB2 H 2.29 . . 514 . 59 PRO HB3 H 1.90 . . 515 . 59 PRO HG2 H 2.19 . . 516 . 59 PRO HG3 H 1.97 . . 517 . 59 PRO HD2 H 4.14 . . 518 . 59 PRO HD3 H 3.68 . . 519 . 59 PRO CG C 27.87 . . 520 . 59 PRO CD C 51.6 . . 521 . 60 GLY N N 111.04 . . 522 . 60 GLY H H 8.50 . . 523 . 60 GLY CA C 44.97 . . 524 . 60 GLY HA2 H 4.34 . . 525 . 61 ILE N N 122.93 . . 526 . 61 ILE H H 7.86 . . 527 . 61 ILE CA C 59.05 . . 528 . 61 ILE HA H 4.27 . . 529 . 61 ILE CB C 34.17 . . 530 . 61 ILE HB H 2.48 . . 531 . 61 ILE HG12 H 1.31 . . 532 . 61 ILE HG13 H 1.26 . . 533 . 61 ILE HG2 H 0.79 . . 534 . 61 ILE HD1 H 0.70 . . 535 . 61 ILE CG1 C 26.89 . . 536 . 61 ILE CG2 C 17.51 . . 537 . 61 ILE CD1 C 10.42 . . 538 . 62 GLY N N 111.86 . . 539 . 62 GLY H H 7.60 . . 540 . 62 GLY CA C 44.33 . . 541 . 62 GLY HA2 H 4.39 . . 542 . 63 GLU N N 119.86 . . 543 . 63 GLU H H 8.65 . . 544 . 63 GLU CA C 60.31 . . 545 . 63 GLU HA H 3.92 . . 546 . 63 GLU CB C 29.78 . . 547 . 63 GLU HB2 H 2.08 . . 548 . 63 GLU HG2 H 2.33 . . 549 . 63 GLU CG C 36.53 . . 550 . 64 ARG N N 118.44 . . 551 . 64 ARG H H 8.55 . . 552 . 64 ARG CA C 58.65 . . 553 . 64 ARG HA H 4.23 . . 554 . 64 ARG CB C 29.69 . . 555 . 64 ARG HB2 H 1.98 . . 556 . 64 ARG HB3 H 1.92 . . 557 . 64 ARG HG2 H 1.74 . . 558 . 64 ARG HD2 H 3.26 . . 559 . 64 ARG CG C 26.89 . . 560 . 64 ARG CD C 42.98 . . 561 . 65 SER N N 115.88 . . 562 . 65 SER H H 7.68 . . 563 . 65 SER CA C 60.78 . . 564 . 65 SER HA H 4.42 . . 565 . 65 SER CB C 62.73 . . 566 . 65 SER HB2 H 4.05 . . 567 . 65 SER HB3 H 3.91 . . 568 . 66 LEU N N 121.74 . . 569 . 66 LEU H H 7.99 . . 570 . 66 LEU CA C 57.54 . . 571 . 66 LEU CB C 42.33 . . 572 . 66 LEU HB2 H 1.64 . . 573 . 66 LEU HD1 H 0.89 . . 574 . 66 LEU CD1 C 27.29 . . 575 . 67 GLU N N 118.99 . . 576 . 67 GLU H H 7.69 . . 577 . 67 GLU CA C 59.40 . . 578 . 67 GLU HA H 3.98 . . 579 . 67 GLU CB C 29.15 . . 580 . 67 GLU HB2 H 2.17 . . 581 . 67 GLU HG2 H 2.44 . . 582 . 67 GLU HG3 H 2.35 . . 583 . 67 GLU CG C 36.25 . . 584 . 68 GLU N N 120.48 . . 585 . 68 GLU H H 7.77 . . 586 . 68 GLU CA C 59.51 . . 587 . 68 GLU HA H 4.07 . . 588 . 68 GLU CB C 29.44 . . 589 . 68 GLU HB2 H 2.21 . . 590 . 68 GLU HG2 H 2.47 . . 591 . 68 GLU CG C 36.52 . . 592 . 69 ILE N N 120.73 . . 593 . 69 ILE H H 8.05 . . 594 . 69 ILE CA C 66.12 . . 595 . 69 ILE HA H 3.51 . . 596 . 69 ILE CB C 38.62 . . 597 . 69 ILE HB H 1.93 . . 598 . 69 ILE HG12 H 2.00 . . 599 . 69 ILE HG13 H 0.74 . . 600 . 69 ILE HG2 H 0.84 . . 601 . 69 ILE HD1 H 0.81 . . 602 . 69 ILE CG1 C 30.25 . . 603 . 69 ILE CG2 C 17.96 . . 604 . 69 ILE CD1 C 14.69 . . 605 . 70 LYS N N 119.81 . . 606 . 70 LYS H H 8.40 . . 607 . 70 LYS CA C 60.92 . . 608 . 70 LYS HA H 3.78 . . 609 . 70 LYS CB C 32.63 . . 610 . 70 LYS HB2 H 1.98 . . 611 . 70 LYS HG2 H 1.61 . . 612 . 70 LYS HG3 H 1.43 . . 613 . 70 LYS HD2 H 1.74 . . 614 . 70 LYS HE2 H 2.99 . . 615 . 70 LYS CG C 25.36 . . 616 . 70 LYS CD C 29.15 . . 617 . 70 LYS CE C 41.92 . . 618 . 71 GLU N N 119.11 . . 619 . 71 GLU H H 8.22 . . 620 . 71 GLU CA C 59.44 . . 621 . 71 GLU HA H 4.07 . . 622 . 71 GLU CB C 29.63 . . 623 . 71 GLU HB2 H 2.22 . . 624 . 71 GLU HG2 H 2.49 . . 625 . 71 GLU CG C 36.50 . . 626 . 72 ALA N N 122.45 . . 627 . 72 ALA H H 8.04 . . 628 . 72 ALA CA C 55.07 . . 629 . 72 ALA HA H 4.18 . . 630 . 72 ALA CB C 18.88 . . 631 . 72 ALA HB H 1.52 . . 632 . 73 LEU N N 117.69 . . 633 . 73 LEU H H 8.29 . . 634 . 73 LEU CA C 57.84 . . 635 . 73 LEU HA H 4.05 . . 636 . 73 LEU CB C 41.47 . . 637 . 73 LEU HB2 H 2.01 . . 638 . 73 LEU HG H 1.39 . . 639 . 73 LEU HD1 H 1.16 . . 640 . 73 LEU HD2 H 0.75 . . 641 . 73 LEU CD2 C 27.07 . . 642 . 74 GLU N N 122.04 . . 643 . 74 GLU H H 8.39 . . 644 . 74 GLU CA C 59.60 . . 645 . 74 GLU HA H 4.30 . . 646 . 74 GLU CB C 29.62 . . 647 . 75 LYS N N 120.17 . . 648 . 75 LYS H H 7.89 . . 649 . 75 LYS CA C 59.16 . . 650 . 75 LYS HA H 4.09 . . 651 . 75 LYS CB C 32.49 . . 652 . 75 LYS HB2 H 1.97 . . 653 . 75 LYS HG2 H 1.59 . . 654 . 75 LYS HD2 H 1.76 . . 655 . 75 LYS HE2 H 3.01 . . 656 . 75 LYS CD C 25.66 . . 657 . 75 LYS CE C 42.08 . . 658 . 76 LYS N N 116.57 . . 659 . 76 LYS H H 7.23 . . 660 . 76 LYS CA C 54.28 . . 661 . 76 LYS HA H 4.40 . . 662 . 76 LYS CB C 33.28 . . 663 . 76 LYS HB2 H 2.09 . . 664 . 76 LYS HB3 H 1.85 . . 665 . 76 LYS HG2 H 1.53 . . 666 . 76 LYS HD2 H 1.71 . . 667 . 76 LYS HE2 H 3.01 . . 668 . 76 LYS CG C 25.24 . . 669 . 76 LYS CD C 28.29 . . 670 . 76 LYS CE C 42.08 . . 671 . 77 GLY N N 106.66 . . 672 . 77 GLY H H 7.65 . . 673 . 77 GLY CA C 45.31 . . 674 . 77 GLY HA2 H 3.89 . . 675 . 78 PHE N N 120.22 . . 676 . 78 PHE H H 7.89 . . 677 . 78 PHE CA C 56.14 . . 678 . 78 PHE HA H 4.97 . . 679 . 78 PHE CB C 42.12 . . 680 . 78 PHE HB2 H 3.11 . . 681 . 78 PHE HB3 H 2.63 . . 682 . 79 THR N N 114.34 . . 683 . 79 THR H H 8.28 . . 684 . 79 THR CA C 60.83 . . 685 . 79 THR HA H 4.49 . . 686 . 79 THR CB C 71.12 . . 687 . 79 THR HB H 4.04 . . 688 . 79 THR HG2 H 1.16 . . 689 . 79 THR CG2 C 21.28 . . 690 . 80 LEU N N 125.75 . . 691 . 80 LEU H H 8.48 . . 692 . 80 LEU CA C 54.49 . . 693 . 80 LEU HA H 4.43 . . 694 . 80 LEU CB C 43.26 . . 695 . 80 LEU HB2 H 1.57 . . 696 . 80 LEU HB3 H 1.51 . . 697 . 80 LEU HG H 1.61 . . 698 . 80 LEU HD1 H 0.78 . . 699 . 80 LEU HD2 H 0.90 . . 700 . 80 LEU CG C 27.25 . . 701 . 80 LEU CD1 C 25.16 . . 702 . 80 LEU CD2 C 25.02 . . 703 . 81 LYS N N 125.53 . . 704 . 81 LYS H H 8.82 . . 705 . 81 LYS CA C 56.63 . . 706 . 81 LYS HA H 4.24 . . 707 . 81 LYS CB C 33.20 . . 708 . 81 LYS HB2 H 1.82 . . 709 . 81 LYS HG2 H 1.50 . . 710 . 81 LYS HD2 H 1.69 . . 711 . 81 LYS HE2 H 3.03 . . 712 . 81 LYS CG C 24.90 . . 713 . 81 LYS CD C 29.11 . . 714 . 81 LYS CE C 42.1 . . 715 . 82 GLU N N 127.21 . . 716 . 82 GLU H H 7.87 . . 717 . 82 GLU CA C 58.29 . . 718 . 82 GLU HA H 4.14 . . 719 . 82 GLU CB C 31.61 . . 720 . 82 GLU HB2 H 1.91 . . 721 . 82 GLU HG2 H 2.23 . . 722 . 82 GLU CG C 37.14 . . stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'RNA POLYMERASE ALPHA SUBUNIT' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 1 ALA H 1 ALA HA 7.1 . . . 2 3JHNHA 2 ALA H 2 ALA HA 7.1 . . . 3 3JHNHA 4 GLU H 4 GLU HA 7.6 . . . 4 3JHNHA 5 GLU H 5 GLU HA 7.2 . . . 5 3JHNHA 6 ALA H 6 ALA HA 7.1 . . . 6 3JHNHA 7 LYS H 7 LYS HA 7.2 . . . 7 3JHNHA 8 GLU H 8 GLU HA 7.2 . . . 8 3JHNHA 10 GLU H 10 GLU HA 7.2 . . . 9 3JHNHA 11 ALA H 11 ALA HA 7.1 . . . 10 3JHNHA 14 GLU H 14 GLU HA 6.5 . . . 11 3JHNHA 15 GLN H 15 GLN HA 7.2 . . . 12 3JHNHA 16 GLU H 16 GLU HA 7.2 . . . 13 3JHNHA 17 GLU H 17 GLU HA 7.2 . . . 14 3JHNHA 18 GLU H 18 GLU HA 5.8 . . . 15 3JHNHA 19 LEU H 19 LEU HA 5.8 . . . 16 3JHNHA 20 ASP H 20 ASP HA 8.7 . . . 17 3JHNHA 21 LEU H 21 LEU HA 5.8 . . . 18 3JHNHA 23 LEU H 23 LEU HA 1.4 . . . 19 3JHNHA 24 GLU H 24 GLU HA 3.4 . . . 20 3JHNHA 25 GLU H 25 GLU HA 7.5 . . . 21 3JHNHA 26 LEU H 26 LEU HA 6.8 . . . 22 3JHNHA 28 LEU H 28 LEU HA 6.5 . . . 23 3JHNHA 29 SER H 29 SER HA 6.9 . . . 24 3JHNHA 30 THR H 30 THR HA 2.1 . . . 25 3JHNHA 31 ARG H 31 ARG HA 1.1 . . . 26 3JHNHA 32 VAL H 32 VAL HA 5.8 . . . 27 3JHNHA 35 SER H 35 SER HA 3.4 . . . 28 3JHNHA 36 LEU H 36 LEU HA 4.3 . . . 29 3JHNHA 37 LYS H 37 LYS HA 2.2 . . . 30 3JHNHA 38 GLU H 38 GLU HA 3.3 . . . 31 3JHNHA 39 GLU H 39 GLU HA 8.9 . . . 32 3JHNHA 41 ILE H 41 ILE HA 10.1 . . . 33 3JHNHA 42 GLU H 42 GLU HA 9.8 . . . 34 3JHNHA 43 SER H 43 SER HA 9.7 . . . 35 3JHNHA 44 VAL H 44 VAL HA 1.4 . . . 36 3JHNHA 45 ARG H 45 ARG HA 2.2 . . . 37 3JHNHA 46 ALA H 46 ALA HA 4.3 . . . 38 3JHNHA 47 LEU H 47 LEU HA 3.3 . . . 39 3JHNHA 48 LEU H 48 LEU HA 5.3 . . . 40 3JHNHA 49 ALA H 49 ALA HA 6.5 . . . 41 3JHNHA 50 LEU H 50 LEU HA 2.2 . . . 42 3JHNHA 51 ASN H 51 ASN HA 8.7 . . . 43 3JHNHA 52 LEU H 52 LEU HA 1.4 . . . 44 3JHNHA 53 LYS H 53 LYS HA 4.1 . . . 45 3JHNHA 54 ASP H 54 ASP HA 6.5 . . . 46 3JHNHA 55 LEU H 55 LEU HA 1.4 . . . 47 3JHNHA 56 LYS H 56 LYS HA 5.3 . . . 48 3JHNHA 57 ASN H 57 ASN HA 9.7 . . . 49 3JHNHA 58 ILE H 58 ILE HA 5.7 . . . 50 3JHNHA 61 ILE H 61 ILE HA 10.1 . . . 51 3JHNHA 63 GLU H 63 GLU HA 0.0 . . . 52 3JHNHA 64 ARG H 64 ARG HA 0.0 . . . 53 3JHNHA 65 SER H 65 SER HA 2.1 . . . 54 3JHNHA 66 LEU H 66 LEU HA 1.4 . . . 55 3JHNHA 67 GLU H 67 GLU HA 3.3 . . . 56 3JHNHA 68 GLU H 68 GLU HA 2.2 . . . 57 3JHNHA 69 ILE H 69 ILE HA 2.2 . . . 58 3JHNHA 70 LYS H 70 LYS HA 2.2 . . . 59 3JHNHA 71 GLU H 71 GLU HA 3.3 . . . 60 3JHNHA 72 ALA H 72 ALA HA 1.4 . . . 61 3JHNHA 73 LEU H 73 LEU HA 4.8 . . . 62 3JHNHA 74 GLU H 74 GLU HA 1.4 . . . 63 3JHNHA 75 LYS H 75 LYS HA 2.2 . . . 64 3JHNHA 76 LYS H 76 LYS HA 10.3 . . . 65 3JHNHA 78 PHE H 78 PHE HA 2.2 . . . 66 3JHNHA 79 THR H 79 THR HA 9.7 . . . 67 3JHNHA 80 LEU H 80 LEU HA 7.1 . . . 68 3JHNHA 81 LYS H 81 LYS HA 7.1 . . . 69 3JHNHA 82 GLU H 82 GLU HA 8.5 . . . stop_ save_