data_17916 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments for the C-terminal domain of yeast Tfg2 ; _BMRB_accession_number 17916 _BMRB_flat_file_name bmr17916.str _Entry_type original _Submission_date 2011-09-06 _Accession_date 2011-09-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Structure determination using CS-Rosetta' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kilpatrick Adina M. . 2 Koharudin Leonardus M.I. . 3 Gronenborn Angela M. . 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" 270 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-12-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17917 Tfg1 stop_ _Original_release_date 2011-12-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and binding studies of the C-terminal domains of yeast TFIIF subunits Tfg1 and Tfg2.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22095626 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kilpatrick Adina M. . 2 Koharudin Leonardus M.I. . 3 Calero Guillermo A. . 4 Gronenborn Angela M. . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2011 _Details . loop_ _Keyword CS-ROSETTA NMR 'transcription factor' 'winged-helix fold' yeast stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Tfg2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Tfg2 $Tfg2 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_Tfg2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Tfg2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; MASKSNIKSIRMPKKEILDY LFKLFDEYDYWSLKGLKERT RQPEAHLKECLDKVATLVKK GPYAFKYTLRPEYKKLKEEE RKATLGELADEQT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 283 MET 2 284 ALA 3 285 SER 4 286 LYS 5 287 SER 6 288 ASN 7 289 ILE 8 290 LYS 9 291 SER 10 292 ILE 11 293 ARG 12 294 MET 13 295 PRO 14 296 LYS 15 297 LYS 16 298 GLU 17 299 ILE 18 300 LEU 19 301 ASP 20 302 TYR 21 303 LEU 22 304 PHE 23 305 LYS 24 306 LEU 25 307 PHE 26 308 ASP 27 309 GLU 28 310 TYR 29 311 ASP 30 312 TYR 31 313 TRP 32 314 SER 33 315 LEU 34 316 LYS 35 317 GLY 36 318 LEU 37 319 LYS 38 320 GLU 39 321 ARG 40 322 THR 41 323 ARG 42 324 GLN 43 325 PRO 44 326 GLU 45 327 ALA 46 328 HIS 47 329 LEU 48 330 LYS 49 331 GLU 50 332 CYS 51 333 LEU 52 334 ASP 53 335 LYS 54 336 VAL 55 337 ALA 56 338 THR 57 339 LEU 58 340 VAL 59 341 LYS 60 342 LYS 61 343 GLY 62 344 PRO 63 345 TYR 64 346 ALA 65 347 PHE 66 348 LYS 67 349 TYR 68 350 THR 69 351 LEU 70 352 ARG 71 353 PRO 72 354 GLU 73 355 TYR 74 356 LYS 75 357 LYS 76 358 LEU 77 359 LYS 78 360 GLU 79 361 GLU 80 362 GLU 81 363 ARG 82 364 LYS 83 365 ALA 84 366 THR 85 367 LEU 86 368 GLY 87 369 GLU 88 370 LEU 89 371 ALA 90 372 ASP 91 373 GLU 92 374 GLN 93 375 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 4V1N "Architecture Of The Rna Polymerase Ii-mediator Core Transcription Initiation Complex" 97.85 331 98.90 100.00 9.85e-56 PDB 4V1O "Architecture Of The Rna Polymerase Ii-mediator Core Transcription Initiation Complex" 97.85 331 98.90 100.00 9.85e-56 DBJ GAA23391 "K7_Tfg2p [Saccharomyces cerevisiae Kyokai no. 7]" 97.85 400 98.90 100.00 8.41e-55 EMBL CAA96988 "TFG2 [Saccharomyces cerevisiae]" 97.85 400 98.90 100.00 8.41e-55 EMBL CAY79765 "Tfg2p [Saccharomyces cerevisiae EC1118]" 97.85 400 98.90 100.00 7.40e-55 GB AAA61642 "transcription initiation factor TFIIF middle subunit [Saccharomyces cerevisiae]" 97.85 400 98.90 100.00 8.78e-55 GB AAT92890 "YGR005C [Saccharomyces cerevisiae]" 97.85 400 98.90 100.00 8.41e-55 GB AHY79373 "Tfg2p [Saccharomyces cerevisiae YJM993]" 97.85 400 98.90 100.00 8.41e-55 GB AJP38791 "Tfg2p [Saccharomyces cerevisiae YJM1078]" 97.85 400 98.90 100.00 8.41e-55 GB AJR76111 "Tfg2p [Saccharomyces cerevisiae YJM189]" 97.85 400 98.90 100.00 8.41e-55 REF NP_011519 "transcription factor IIF subunit TFG2 [Saccharomyces cerevisiae S288c]" 97.85 400 98.90 100.00 8.41e-55 SP P41896 "RecName: Full=Transcription initiation factor IIF subunit beta; AltName: Full=ATP-dependent helicase TFG2; AltName: Full=TFIIF " 97.85 400 98.90 100.00 8.41e-55 TPG DAA08103 "TPA: transcription factor IIF subunit TFG2 [Saccharomyces cerevisiae S288c]" 97.85 400 98.90 100.00 8.41e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Tfg2 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Tfg2 'recombinant technology' . Escherichia coli . pET-18 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Tfg2 . mM 1 1.5 '[U-98% 13C; U-98% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 'ionic strength' 0.1 . M pH 6.2 . 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 HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D H(CCO)NH' '3D HCCH-TOCSY' 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 Tfg2 _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 1 283 1 MET H H 8.36 0.02 1 2 283 1 MET HA H 4.43 0.02 1 3 283 1 MET C C 175.83 0.05 1 4 283 1 MET CA C 55.65 0.05 1 5 283 1 MET CB C 32.98 0.05 1 6 283 1 MET N N 122.15 0.05 1 7 284 2 ALA H H 8.40 0.02 1 8 284 2 ALA HA H 4.33 0.02 1 9 284 2 ALA C C 177.77 0.05 1 10 284 2 ALA CA C 52.72 0.05 1 11 284 2 ALA CB C 19.24 0.05 1 12 284 2 ALA N N 125.79 0.05 1 13 285 3 SER H H 8.29 0.02 1 14 285 3 SER C C 174.76 0.05 1 15 285 3 SER CA C 58.37 0.05 1 16 285 3 SER CB C 63.91 0.05 1 17 285 3 SER N N 115.30 0.05 1 18 286 4 LYS H H 8.39 0.02 1 19 286 4 LYS HA H 4.38 0.02 1 20 286 4 LYS C C 176.64 0.05 1 21 286 4 LYS CA C 56.57 0.05 1 22 286 4 LYS CB C 32.99 0.05 1 23 286 4 LYS N N 123.29 0.05 1 24 287 5 SER H H 8.28 0.02 1 25 287 5 SER C C 174.22 0.05 1 26 287 5 SER CA C 58.34 0.05 1 27 287 5 SER CB C 63.93 0.05 1 28 287 5 SER N N 116.27 0.05 1 29 288 6 ASN H H 8.48 0.02 1 30 288 6 ASN HA H 4.75 0.02 1 31 288 6 ASN C C 175.05 0.05 1 32 288 6 ASN CA C 53.27 0.05 1 33 288 6 ASN CB C 38.79 0.05 1 34 288 6 ASN N N 121.09 0.05 1 35 289 7 ILE H H 8.02 0.02 1 36 289 7 ILE HA H 4.14 0.02 1 37 289 7 ILE C C 176.10 0.05 1 38 289 7 ILE CA C 61.44 0.05 1 39 289 7 ILE CB C 38.68 0.05 1 40 289 7 ILE N N 120.98 0.05 1 41 290 8 LYS H H 8.38 0.02 1 42 290 8 LYS HA H 4.34 0.02 1 43 290 8 LYS C C 176.42 0.05 1 44 290 8 LYS CA C 56.44 0.05 1 45 290 8 LYS CB C 33.04 0.05 1 46 290 8 LYS N N 125.36 0.05 1 47 291 9 SER H H 8.26 0.02 1 48 291 9 SER C C 174.24 0.05 1 49 291 9 SER CA C 58.04 0.05 1 50 291 9 SER CB C 63.93 0.05 1 51 291 9 SER N N 117.25 0.05 1 52 292 10 ILE H H 8.17 0.02 1 53 292 10 ILE HA H 4.21 0.02 1 54 292 10 ILE C C 176.01 0.05 1 55 292 10 ILE CA C 61.06 0.05 1 56 292 10 ILE CB C 39.00 0.05 1 57 292 10 ILE N N 122.63 0.05 1 58 293 11 ARG H H 8.33 0.02 1 59 293 11 ARG HA H 4.46 0.02 1 60 293 11 ARG C C 175.65 0.05 1 61 293 11 ARG CA C 55.63 0.05 1 62 293 11 ARG CB C 30.69 0.05 1 63 293 11 ARG N N 125.00 0.05 1 64 294 12 MET H H 8.75 0.02 1 65 294 12 MET CA C 54.15 0.05 1 66 294 12 MET CB C 34.10 0.05 1 67 294 12 MET N N 125.86 0.05 1 68 295 13 PRO HA H 4.52 0.02 1 69 295 13 PRO C C 177.12 0.05 1 70 295 13 PRO CA C 62.71 0.05 1 71 295 13 PRO CB C 32.20 0.05 1 72 296 14 LYS H H 8.84 0.02 1 73 296 14 LYS HA H 3.79 0.02 1 74 296 14 LYS C C 177.87 0.05 1 75 296 14 LYS CA C 60.37 0.05 1 76 296 14 LYS CB C 32.58 0.05 1 77 296 14 LYS N N 123.61 0.05 1 78 297 15 LYS H H 8.93 0.02 1 79 297 15 LYS HA H 3.78 0.02 1 80 297 15 LYS C C 177.69 0.05 1 81 297 15 LYS CA C 60.35 0.05 1 82 297 15 LYS CB C 32.51 0.05 1 83 297 15 LYS N N 117.61 0.05 1 84 298 16 GLU H H 7.37 0.02 1 85 298 16 GLU HA H 4.14 0.02 1 86 298 16 GLU C C 179.38 0.05 1 87 298 16 GLU CA C 58.98 0.05 1 88 298 16 GLU CB C 29.73 0.05 1 89 298 16 GLU N N 117.03 0.05 1 90 299 17 ILE H H 7.94 0.02 1 91 299 17 ILE HA H 3.79 0.02 1 92 299 17 ILE C C 177.54 0.05 1 93 299 17 ILE CA C 64.97 0.05 1 94 299 17 ILE CB C 37.09 0.05 1 95 299 17 ILE N N 120.45 0.05 1 96 300 18 LEU H H 8.32 0.02 1 97 300 18 LEU HA H 3.68 0.02 1 98 300 18 LEU C C 177.33 0.05 1 99 300 18 LEU CA C 58.84 0.05 1 100 300 18 LEU CB C 41.81 0.05 1 101 300 18 LEU N N 120.61 0.05 1 102 301 19 ASP H H 7.78 0.02 1 103 301 19 ASP C C 178.44 0.05 1 104 301 19 ASP CA C 57.87 0.05 1 105 301 19 ASP CB C 41.78 0.05 1 106 301 19 ASP N N 117.35 0.05 1 107 302 20 TYR H H 7.90 0.02 1 108 302 20 TYR HA H 4.34 0.02 1 109 302 20 TYR C C 178.72 0.05 1 110 302 20 TYR CA C 59.42 0.05 1 111 302 20 TYR CB C 38.09 0.05 1 112 302 20 TYR N N 119.88 0.05 1 113 303 21 LEU H H 8.81 0.02 1 114 303 21 LEU HA H 3.62 0.02 1 115 303 21 LEU C C 178.86 0.05 1 116 303 21 LEU CA C 58.20 0.05 1 117 303 21 LEU CB C 41.14 0.05 1 118 303 21 LEU N N 118.05 0.05 1 119 304 22 PHE H H 8.45 0.02 1 120 304 22 PHE HA H 4.34 0.02 1 121 304 22 PHE C C 178.44 0.05 1 122 304 22 PHE CA C 62.32 0.05 1 123 304 22 PHE CB C 37.79 0.05 1 124 304 22 PHE N N 117.18 0.05 1 125 305 23 LYS H H 7.69 0.02 1 126 305 23 LYS C C 180.65 0.05 1 127 305 23 LYS CA C 59.69 0.05 1 128 305 23 LYS CB C 32.08 0.05 1 129 305 23 LYS N N 118.56 0.05 1 130 306 24 LEU H H 8.37 0.02 1 131 306 24 LEU HA H 4.14 0.02 1 132 306 24 LEU C C 181.31 0.05 1 133 306 24 LEU CA C 58.26 0.05 1 134 306 24 LEU CB C 38.52 0.05 1 135 306 24 LEU N N 122.58 0.05 1 136 307 25 PHE H H 8.65 0.02 1 137 307 25 PHE HA H 5.44 0.02 1 138 307 25 PHE C C 177.25 0.05 1 139 307 25 PHE CA C 61.28 0.05 1 140 307 25 PHE CB C 38.78 0.05 1 141 307 25 PHE N N 120.45 0.05 1 142 308 26 ASP H H 7.81 0.02 1 143 308 26 ASP HA H 4.74 0.02 1 144 308 26 ASP C C 177.41 0.05 1 145 308 26 ASP CA C 56.16 0.05 1 146 308 26 ASP CB C 40.79 0.05 1 147 308 26 ASP N N 119.88 0.05 1 148 309 27 GLU H H 7.69 0.02 1 149 309 27 GLU HA H 4.13 0.02 1 150 309 27 GLU C C 176.76 0.05 1 151 309 27 GLU CA C 58.83 0.05 1 152 309 27 GLU CB C 31.16 0.05 1 153 309 27 GLU N N 121.10 0.05 1 154 310 28 TYR H H 7.97 0.02 1 155 310 28 TYR HA H 4.63 0.02 1 156 310 28 TYR C C 174.40 0.05 1 157 310 28 TYR CA C 58.26 0.05 1 158 310 28 TYR CB C 41.84 0.05 1 159 310 28 TYR N N 115.83 0.05 1 160 311 29 ASP H H 7.95 0.02 1 161 311 29 ASP HA H 4.64 0.02 1 162 311 29 ASP C C 175.99 0.05 1 163 311 29 ASP CA C 56.68 0.05 1 164 311 29 ASP CB C 42.09 0.05 1 165 311 29 ASP N N 117.77 0.05 1 166 312 30 TYR H H 7.10 0.02 1 167 312 30 TYR HA H 5.84 0.02 1 168 312 30 TYR C C 174.99 0.05 1 169 312 30 TYR CA C 56.64 0.05 1 170 312 30 TYR CB C 41.92 0.05 1 171 312 30 TYR N N 115.61 0.05 1 172 313 31 TRP H H 9.21 0.02 1 173 313 31 TRP HA H 4.81 0.02 1 174 313 31 TRP C C 176.05 0.05 1 175 313 31 TRP CA C 56.65 0.05 1 176 313 31 TRP CB C 34.08 0.05 1 177 313 31 TRP N N 121.25 0.05 1 178 314 32 SER H H 9.58 0.02 1 179 314 32 SER HA H 5.07 0.02 1 180 314 32 SER C C 174.62 0.05 1 181 314 32 SER CA C 56.65 0.05 1 182 314 32 SER CB C 65.53 0.05 1 183 314 32 SER N N 118.86 0.05 1 184 315 33 LEU H H 9.50 0.02 1 185 315 33 LEU HA H 4.15 0.02 1 186 315 33 LEU C C 178.60 0.05 1 187 315 33 LEU CA C 58.61 0.05 1 188 315 33 LEU CB C 41.62 0.05 1 189 315 33 LEU N N 124.19 0.05 1 190 316 34 LYS H H 8.60 0.02 1 191 316 34 LYS HA H 3.98 0.02 1 192 316 34 LYS C C 178.90 0.05 1 193 316 34 LYS CA C 60.16 0.05 1 194 316 34 LYS CB C 32.77 0.05 1 195 316 34 LYS N N 118.67 0.05 1 196 317 35 GLY H H 8.64 0.02 1 197 317 35 GLY HA2 H 4.18 0.02 2 198 317 35 GLY HA3 H 4.08 0.02 2 199 317 35 GLY C C 177.20 0.05 1 200 317 35 GLY CA C 47.14 0.05 1 201 317 35 GLY N N 108.61 0.05 1 202 318 36 LEU H H 8.40 0.02 1 203 318 36 LEU HA H 3.75 0.02 1 204 318 36 LEU C C 180.78 0.05 1 205 318 36 LEU CA C 57.82 0.05 1 206 318 36 LEU CB C 43.16 0.05 1 207 318 36 LEU N N 122.30 0.05 1 208 319 37 LYS H H 9.04 0.02 1 209 319 37 LYS HA H 3.76 0.02 1 210 319 37 LYS C C 179.05 0.05 1 211 319 37 LYS CA C 60.68 0.05 1 212 319 37 LYS CB C 32.20 0.05 1 213 319 37 LYS N N 125.13 0.05 1 214 320 38 GLU H H 8.23 0.02 1 215 320 38 GLU HA H 4.03 0.02 1 216 320 38 GLU C C 178.52 0.05 1 217 320 38 GLU CA C 59.22 0.05 1 218 320 38 GLU CB C 29.48 0.05 1 219 320 38 GLU N N 119.59 0.05 1 220 321 39 ARG H H 7.78 0.02 1 221 321 39 ARG HA H 4.33 0.02 1 222 321 39 ARG C C 177.68 0.05 1 223 321 39 ARG CA C 56.63 0.05 1 224 321 39 ARG CB C 30.62 0.05 1 225 321 39 ARG N N 114.87 0.05 1 226 322 40 THR H H 7.94 0.02 1 227 322 40 THR HA H 4.06 0.02 1 228 322 40 THR C C 175.56 0.05 1 229 322 40 THR CA C 63.37 0.05 1 230 322 40 THR CB C 71.16 0.05 1 231 322 40 THR N N 105.09 0.05 1 232 323 41 ARG H H 8.20 0.02 1 233 323 41 ARG HA H 4.01 0.02 1 234 323 41 ARG C C 175.37 0.05 1 235 323 41 ARG CA C 57.18 0.05 1 236 323 41 ARG CB C 26.97 0.05 1 237 323 41 ARG N N 116.80 0.05 1 238 324 42 GLN H H 7.27 0.02 1 239 324 42 GLN CA C 52.50 0.05 1 240 324 42 GLN CB C 29.03 0.05 1 241 324 42 GLN N N 116.33 0.05 1 242 325 43 PRO HA H 4.33 0.02 1 243 325 43 PRO C C 177.91 0.05 1 244 325 43 PRO CA C 62.53 0.05 1 245 325 43 PRO CB C 32.31 0.05 1 246 326 44 GLU H H 9.16 0.02 1 247 326 44 GLU HA H 3.63 0.02 1 248 326 44 GLU C C 177.74 0.05 1 249 326 44 GLU CA C 61.25 0.05 1 250 326 44 GLU CB C 30.25 0.05 1 251 326 44 GLU N N 124.41 0.05 1 252 327 45 ALA H H 9.04 0.02 1 253 327 45 ALA HA H 4.10 0.02 1 254 327 45 ALA C C 180.36 0.05 1 255 327 45 ALA CA C 55.58 0.05 1 256 327 45 ALA CB C 18.21 0.05 1 257 327 45 ALA N N 118.83 0.05 1 258 328 46 HIS H H 7.00 0.02 1 259 328 46 HIS HA H 4.65 0.02 1 260 328 46 HIS C C 178.05 0.05 1 261 328 46 HIS CA C 57.26 0.05 1 262 328 46 HIS CB C 31.25 0.05 1 263 328 46 HIS N N 116.35 0.05 1 264 329 47 LEU H H 7.86 0.02 1 265 329 47 LEU HA H 3.77 0.02 1 266 329 47 LEU C C 178.71 0.05 1 267 329 47 LEU CA C 58.04 0.05 1 268 329 47 LEU CB C 42.65 0.05 1 269 329 47 LEU N N 118.50 0.05 1 270 330 48 LYS H H 8.83 0.02 1 271 330 48 LYS HA H 3.68 0.02 1 272 330 48 LYS C C 177.21 0.05 1 273 330 48 LYS CA C 60.55 0.05 1 274 330 48 LYS CB C 32.33 0.05 1 275 330 48 LYS N N 118.83 0.05 1 276 331 49 GLU H H 7.50 0.02 1 277 331 49 GLU HA H 4.12 0.02 1 278 331 49 GLU C C 179.19 0.05 1 279 331 49 GLU CA C 59.35 0.05 1 280 331 49 GLU CB C 29.67 0.05 1 281 331 49 GLU N N 116.89 0.05 1 282 332 50 CYS H H 7.13 0.02 1 283 332 50 CYS HA H 4.06 0.02 1 284 332 50 CYS C C 176.58 0.05 1 285 332 50 CYS CA C 63.44 0.05 1 286 332 50 CYS CB C 27.83 0.05 1 287 332 50 CYS N N 114.86 0.05 1 288 333 51 LEU H H 8.72 0.02 1 289 333 51 LEU HA H 3.62 0.02 1 290 333 51 LEU C C 178.34 0.05 1 291 333 51 LEU CA C 57.81 0.05 1 292 333 51 LEU CB C 41.74 0.05 1 293 333 51 LEU N N 121.55 0.05 1 294 334 52 ASP H H 8.36 0.02 1 295 334 52 ASP HA H 4.54 0.02 1 296 334 52 ASP C C 177.86 0.05 1 297 334 52 ASP CA C 56.78 0.05 1 298 334 52 ASP CB C 40.41 0.05 1 299 334 52 ASP N N 116.60 0.05 1 300 335 53 LYS H H 7.30 0.02 1 301 335 53 LYS HA H 4.39 0.02 1 302 335 53 LYS C C 177.83 0.05 1 303 335 53 LYS CA C 57.87 0.05 1 304 335 53 LYS CB C 33.53 0.05 1 305 335 53 LYS N N 116.03 0.05 1 306 336 54 VAL H H 6.97 0.02 1 307 336 54 VAL HA H 4.63 0.02 1 308 336 54 VAL C C 174.02 0.05 1 309 336 54 VAL CA C 60.46 0.05 1 310 336 54 VAL CB C 33.75 0.05 1 311 336 54 VAL N N 104.47 0.05 1 312 337 55 ALA H H 8.82 0.02 1 313 337 55 ALA HA H 5.36 0.02 1 314 337 55 ALA C C 175.62 0.05 1 315 337 55 ALA CA C 51.10 0.05 1 316 337 55 ALA CB C 25.07 0.05 1 317 337 55 ALA N N 124.05 0.05 1 318 338 56 THR H H 9.21 0.02 1 319 338 56 THR HA H 4.69 0.02 1 320 338 56 THR C C 171.88 0.05 1 321 338 56 THR CA C 60.27 0.05 1 322 338 56 THR CB C 71.46 0.05 1 323 338 56 THR N N 114.11 0.05 1 324 339 57 LEU H H 8.35 0.02 1 325 339 57 LEU HA H 4.04 0.02 1 326 339 57 LEU C C 176.10 0.05 1 327 339 57 LEU CA C 54.12 0.05 1 328 339 57 LEU CB C 42.74 0.05 1 329 339 57 LEU N N 127.37 0.05 1 330 340 58 VAL H H 8.93 0.02 1 331 340 58 VAL HA H 3.82 0.02 1 332 340 58 VAL C C 177.48 0.05 1 333 340 58 VAL CA C 63.56 0.05 1 334 340 58 VAL CB C 31.44 0.05 1 335 340 58 VAL N N 131.00 0.05 1 336 341 59 LYS H H 8.76 0.02 1 337 341 59 LYS HA H 4.04 0.02 1 338 341 59 LYS C C 175.37 0.05 1 339 341 59 LYS CA C 56.74 0.05 1 340 341 59 LYS CB C 34.00 0.05 1 341 341 59 LYS N N 125.27 0.05 1 342 342 60 LYS H H 7.35 0.02 1 343 342 60 LYS HA H 4.59 0.02 1 344 342 60 LYS C C 175.41 0.05 1 345 342 60 LYS CA C 54.96 0.05 1 346 342 60 LYS CB C 36.18 0.05 1 347 342 60 LYS N N 116.68 0.05 1 348 343 61 GLY H H 8.69 0.02 1 349 343 61 GLY HA2 H 4.40 0.02 2 350 343 61 GLY HA3 H 3.77 0.02 2 351 343 61 GLY CA C 44.92 0.05 1 352 343 61 GLY N N 109.79 0.05 1 353 344 62 PRO HA H 4.05 0.02 1 354 344 62 PRO C C 177.50 0.05 1 355 344 62 PRO CA C 64.28 0.05 1 356 344 62 PRO CB C 31.46 0.05 1 357 345 63 TYR H H 8.62 0.02 1 358 345 63 TYR HA H 4.31 0.02 1 359 345 63 TYR C C 172.96 0.05 1 360 345 63 TYR CA C 56.22 0.05 1 361 345 63 TYR CB C 37.18 0.05 1 362 345 63 TYR N N 117.83 0.05 1 363 346 64 ALA H H 6.94 0.02 1 364 346 64 ALA HA H 3.21 0.02 1 365 346 64 ALA C C 177.53 0.05 1 366 346 64 ALA CA C 53.58 0.05 1 367 346 64 ALA CB C 18.07 0.05 1 368 346 64 ALA N N 118.98 0.05 1 369 347 65 PHE H H 8.75 0.02 1 370 347 65 PHE HA H 3.81 0.02 1 371 347 65 PHE C C 174.41 0.05 1 372 347 65 PHE CA C 60.48 0.05 1 373 347 65 PHE CB C 35.66 0.05 1 374 347 65 PHE N N 113.63 0.05 1 375 348 66 LYS H H 8.00 0.02 1 376 348 66 LYS HA H 4.68 0.02 1 377 348 66 LYS C C 174.10 0.05 1 378 348 66 LYS CA C 55.26 0.05 1 379 348 66 LYS CB C 35.44 0.05 1 380 348 66 LYS N N 118.03 0.05 1 381 349 67 TYR H H 9.53 0.02 1 382 349 67 TYR HA H 5.44 0.02 1 383 349 67 TYR C C 176.27 0.05 1 384 349 67 TYR CA C 58.35 0.05 1 385 349 67 TYR CB C 41.85 0.05 1 386 349 67 TYR N N 118.55 0.05 1 387 350 68 THR H H 8.84 0.02 1 388 350 68 THR HA H 5.02 0.02 1 389 350 68 THR C C 172.27 0.05 1 390 350 68 THR CA C 59.73 0.05 1 391 350 68 THR CB C 72.15 0.05 1 392 350 68 THR N N 113.85 0.05 1 393 351 69 LEU H H 7.91 0.02 1 394 351 69 LEU HA H 3.99 0.02 1 395 351 69 LEU C C 177.81 0.05 1 396 351 69 LEU CA C 55.71 0.05 1 397 351 69 LEU CB C 42.46 0.05 1 398 351 69 LEU N N 125.01 0.05 1 399 352 70 ARG H H 8.75 0.02 1 400 352 70 ARG HA H 3.97 0.02 1 401 352 70 ARG CA C 55.84 0.05 1 402 352 70 ARG CB C 29.34 0.05 1 403 352 70 ARG N N 122.05 0.05 1 404 353 71 PRO HA H 4.02 0.02 1 405 353 71 PRO C C 178.54 0.05 1 406 353 71 PRO CA C 65.90 0.05 1 407 353 71 PRO CB C 31.88 0.05 1 408 354 72 GLU H H 10.19 0.02 1 409 354 72 GLU HA H 4.01 0.02 1 410 354 72 GLU C C 176.69 0.05 1 411 354 72 GLU CA C 58.61 0.05 1 412 354 72 GLU CB C 27.56 0.05 1 413 354 72 GLU N N 116.61 0.05 1 414 355 73 TYR H H 7.72 0.02 1 415 355 73 TYR HA H 4.81 0.02 1 416 355 73 TYR C C 175.59 0.05 1 417 355 73 TYR CA C 57.88 0.05 1 418 355 73 TYR CB C 39.67 0.05 1 419 355 73 TYR N N 117.36 0.05 1 420 356 74 LYS H H 7.61 0.02 1 421 356 74 LYS HA H 4.01 0.02 1 422 356 74 LYS CA C 57.97 0.05 1 423 356 74 LYS CB C 33.37 0.05 1 424 356 74 LYS N N 120.92 0.05 1 425 357 75 LYS H H 8.22 0.02 1 426 357 75 LYS HA H 4.11 0.02 1 427 357 75 LYS C C 176.31 0.05 1 428 357 75 LYS CA C 56.42 0.05 1 429 357 75 LYS CB C 31.54 0.05 1 430 357 75 LYS N N 117.00 0.05 1 431 358 76 LEU H H 7.65 0.02 1 432 358 76 LEU HA H 4.29 0.02 1 433 358 76 LEU C C 178.30 0.05 1 434 358 76 LEU CA C 55.17 0.05 1 435 358 76 LEU CB C 42.74 0.05 1 436 358 76 LEU N N 119.90 0.05 1 437 359 77 LYS H H 8.86 0.02 1 438 359 77 LYS HA H 4.33 0.02 1 439 359 77 LYS C C 177.66 0.05 1 440 359 77 LYS CA C 56.01 0.05 1 441 359 77 LYS CB C 32.83 0.05 1 442 359 77 LYS N N 123.37 0.05 1 443 360 78 GLU H H 8.81 0.02 1 444 360 78 GLU HA H 3.85 0.02 1 445 360 78 GLU C C 178.60 0.05 1 446 360 78 GLU CA C 60.43 0.05 1 447 360 78 GLU CB C 29.61 0.05 1 448 360 78 GLU N N 122.36 0.05 1 449 361 79 GLU H H 9.21 0.02 1 450 361 79 GLU HA H 4.08 0.02 1 451 361 79 GLU C C 178.74 0.05 1 452 361 79 GLU CA C 59.30 0.05 1 453 361 79 GLU CB C 29.11 0.05 1 454 361 79 GLU N N 118.02 0.05 1 455 362 80 GLU H H 7.63 0.02 1 456 362 80 GLU C C 178.86 0.05 1 457 362 80 GLU CA C 58.06 0.05 1 458 362 80 GLU CB C 30.37 0.05 1 459 362 80 GLU N N 119.66 0.05 1 460 363 81 ARG H H 8.39 0.02 1 461 363 81 ARG HA H 3.79 0.02 1 462 363 81 ARG C C 177.47 0.05 1 463 363 81 ARG CA C 59.47 0.05 1 464 363 81 ARG CB C 30.16 0.05 1 465 363 81 ARG N N 121.61 0.05 1 466 364 82 LYS H H 7.98 0.02 1 467 364 82 LYS HA H 3.96 0.02 1 468 364 82 LYS C C 178.92 0.05 1 469 364 82 LYS CA C 59.38 0.05 1 470 364 82 LYS CB C 32.34 0.05 1 471 364 82 LYS N N 118.77 0.05 1 472 365 83 ALA H H 7.81 0.02 1 473 365 83 ALA HA H 4.23 0.02 1 474 365 83 ALA C C 179.85 0.05 1 475 365 83 ALA CA C 54.44 0.05 1 476 365 83 ALA CB C 18.50 0.05 1 477 365 83 ALA N N 121.65 0.05 1 478 366 84 THR H H 8.01 0.02 1 479 366 84 THR HA H 4.14 0.02 1 480 366 84 THR C C 175.78 0.05 1 481 366 84 THR CA C 65.38 0.05 1 482 366 84 THR CB C 69.32 0.05 1 483 366 84 THR N N 115.00 0.05 1 484 367 85 LEU H H 8.25 0.02 1 485 367 85 LEU HA H 4.02 0.02 1 486 367 85 LEU C C 178.54 0.05 1 487 367 85 LEU CA C 57.79 0.05 1 488 367 85 LEU CB C 41.73 0.05 1 489 367 85 LEU N N 121.54 0.05 1 490 368 86 GLY H H 7.89 0.02 1 491 368 86 GLY HA2 H 3.92 0.02 2 492 368 86 GLY HA3 H 3.81 0.02 2 493 368 86 GLY C C 175.20 0.05 1 494 368 86 GLY CA C 46.65 0.05 1 495 368 86 GLY N N 105.53 0.05 1 496 369 87 GLU H H 7.84 0.02 1 497 369 87 GLU HA H 4.22 0.02 1 498 369 87 GLU C C 178.39 0.05 1 499 369 87 GLU CA C 57.96 0.05 1 500 369 87 GLU CB C 29.94 0.05 1 501 369 87 GLU N N 120.45 0.05 1 502 370 88 LEU H H 8.07 0.02 1 503 370 88 LEU HA H 4.23 0.02 1 504 370 88 LEU C C 177.63 0.05 1 505 370 88 LEU CA C 56.01 0.05 1 506 370 88 LEU CB C 43.15 0.05 1 507 370 88 LEU N N 119.59 0.05 1 508 371 89 ALA H H 7.96 0.02 1 509 371 89 ALA HA H 4.18 0.02 1 510 371 89 ALA C C 176.93 0.05 1 511 371 89 ALA CA C 52.79 0.05 1 512 371 89 ALA CB C 19.24 0.05 1 513 371 89 ALA N N 121.12 0.05 1 514 372 90 ASP H H 7.93 0.02 1 515 372 90 ASP HA H 4.58 0.02 1 516 372 90 ASP C C 176.13 0.05 1 517 372 90 ASP CA C 54.62 0.05 1 518 372 90 ASP CB C 41.10 0.05 1 519 372 90 ASP N N 118.57 0.05 1 520 373 91 GLU H H 8.22 0.02 1 521 373 91 GLU HA H 4.32 0.02 1 522 373 91 GLU C C 176.38 0.05 1 523 373 91 GLU CA C 56.67 0.05 1 524 373 91 GLU CB C 30.50 0.05 1 525 373 91 GLU N N 120.60 0.05 1 526 374 92 GLN H H 8.51 0.02 1 527 374 92 GLN HA H 4.41 0.02 1 528 374 92 GLN C C 175.42 0.05 1 529 374 92 GLN CA C 56.08 0.05 1 530 374 92 GLN CB C 29.49 0.05 1 531 374 92 GLN N N 122.06 0.05 1 532 375 93 THR H H 7.88 0.02 1 533 375 93 THR CA C 63.30 0.05 1 534 375 93 THR CB C 70.74 0.05 1 535 375 93 THR N N 120.93 0.05 1 stop_ save_