################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51068 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'FUS RGG2' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 51068 1 2 '3D HNCO' . . . 51068 1 3 '3D HN(CA)CO' . . . 51068 1 4 '3D HNCACB' . . . 51068 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51068 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ARG H H 1 8.409 0.00 . . . . . . . 372 ARG HN . 51068 1 2 . 1 . 1 1 1 ARG C C 13 173.304 0.01 . . . . . . . 372 ARG C . 51068 1 3 . 1 . 1 1 1 ARG CA C 13 53.563 0.06 . . . . . . . 372 ARG CA . 51068 1 4 . 1 . 1 1 1 ARG CB C 13 28.184 0.02 . . . . . . . 372 ARG CB . 51068 1 5 . 1 . 1 1 1 ARG N N 15 123.200 0.00 . . . . . . . 372 ARG N . 51068 1 6 . 1 . 1 2 2 ALA H H 1 8.354 0.00 . . . . . . . 373 ALA HN . 51068 1 7 . 1 . 1 2 2 ALA C C 13 174.390 0.01 . . . . . . . 373 ALA C . 51068 1 8 . 1 . 1 2 2 ALA CA C 13 49.842 0.02 . . . . . . . 373 ALA CA . 51068 1 9 . 1 . 1 2 2 ALA N N 15 125.612 0.01 . . . . . . . 373 ALA N . 51068 1 10 . 1 . 1 3 3 ASP H H 1 8.171 0.00 . . . . . . . 374 ASP HN . 51068 1 11 . 1 . 1 3 3 ASP C C 13 173.437 0.01 . . . . . . . 374 ASP C . 51068 1 12 . 1 . 1 3 3 ASP CA C 13 51.200 0.01 . . . . . . . 374 ASP CA . 51068 1 13 . 1 . 1 3 3 ASP CB C 13 38.255 0.01 . . . . . . . 374 ASP CB . 51068 1 14 . 1 . 1 3 3 ASP N N 15 118.941 0.00 . . . . . . . 374 ASP N . 51068 1 15 . 1 . 1 4 4 PHE H H 1 7.984 0.00 . . . . . . . 375 PHE HN . 51068 1 16 . 1 . 1 4 4 PHE C C 13 172.898 0.00 . . . . . . . 375 PHE C . 51068 1 17 . 1 . 1 4 4 PHE CA C 13 55.254 0.03 . . . . . . . 375 PHE CA . 51068 1 18 . 1 . 1 4 4 PHE CB C 13 36.582 0.06 . . . . . . . 375 PHE CB . 51068 1 19 . 1 . 1 4 4 PHE N N 15 120.560 0.02 . . . . . . . 375 PHE N . 51068 1 20 . 1 . 1 5 5 ASN H H 1 8.286 0.00 . . . . . . . 376 ASN HN . 51068 1 21 . 1 . 1 5 5 ASN C C 13 172.458 0.01 . . . . . . . 376 ASN C . 51068 1 22 . 1 . 1 5 5 ASN CA C 13 50.590 0.06 . . . . . . . 376 ASN CA . 51068 1 23 . 1 . 1 5 5 ASN CB C 13 35.926 0.01 . . . . . . . 376 ASN CB . 51068 1 24 . 1 . 1 5 5 ASN N N 15 120.036 0.00 . . . . . . . 376 ASN N . 51068 1 25 . 1 . 1 6 6 ARG H H 1 8.131 0.00 . . . . . . . 377 ARG HN . 51068 1 26 . 1 . 1 6 6 ARG C C 13 174.176 0.00 . . . . . . . 377 ARG C . 51068 1 27 . 1 . 1 6 6 ARG CA C 13 53.724 0.01 . . . . . . . 377 ARG CA . 51068 1 28 . 1 . 1 6 6 ARG CB C 13 27.728 0.00 . . . . . . . 377 ARG CB . 51068 1 29 . 1 . 1 6 6 ARG N N 15 121.506 0.01 . . . . . . . 377 ARG N . 51068 1 30 . 1 . 1 7 7 GLY H H 1 8.321 0.00 . . . . . . . 378 GLY HN . 51068 1 31 . 1 . 1 7 7 GLY C C 13 171.976 0.02 . . . . . . . 378 GLY C . 51068 1 32 . 1 . 1 7 7 GLY CA C 13 42.593 0.04 . . . . . . . 378 GLY CA . 51068 1 33 . 1 . 1 7 7 GLY N N 15 109.449 0.01 . . . . . . . 378 GLY N . 51068 1 34 . 1 . 1 8 8 GLY H H 1 8.181 0.00 . . . . . . . 379 GLY HN . 51068 1 35 . 1 . 1 8 8 GLY C C 13 172.100 0.01 . . . . . . . 379 GLY C . 51068 1 36 . 1 . 1 8 8 GLY CA C 13 42.561 0.01 . . . . . . . 379 GLY CA . 51068 1 37 . 1 . 1 8 8 GLY N N 15 108.481 0.01 . . . . . . . 379 GLY N . 51068 1 38 . 1 . 1 9 9 GLY H H 1 8.247 0.00 . . . . . . . 380 GLY HN . 51068 1 39 . 1 . 1 9 9 GLY C C 13 171.513 0.00 . . . . . . . 380 GLY C . 51068 1 40 . 1 . 1 9 9 GLY CA C 13 42.580 0.05 . . . . . . . 380 GLY CA . 51068 1 41 . 1 . 1 9 9 GLY N N 15 108.573 0.02 . . . . . . . 380 GLY N . 51068 1 42 . 1 . 1 10 10 ASN H H 1 8.335 0.00 . . . . . . . 381 ASN HN . 51068 1 43 . 1 . 1 10 10 ASN C C 13 173.257 0.00 . . . . . . . 381 ASN C . 51068 1 44 . 1 . 1 10 10 ASN CA C 13 50.518 0.07 . . . . . . . 381 ASN CA . 51068 1 45 . 1 . 1 10 10 ASN CB C 13 36.087 0.00 . . . . . . . 381 ASN CB . 51068 1 46 . 1 . 1 10 10 ASN N N 15 118.362 0.01 . . . . . . . 381 ASN N . 51068 1 47 . 1 . 1 11 11 GLY H H 1 8.372 0.00 . . . . . . . 382 GLY HN . 51068 1 48 . 1 . 1 11 11 GLY C C 13 171.748 0.00 . . . . . . . 382 GLY C . 51068 1 49 . 1 . 1 11 11 GLY CA C 13 42.861 0.04 . . . . . . . 382 GLY CA . 51068 1 50 . 1 . 1 11 11 GLY N N 15 108.986 0.01 . . . . . . . 382 GLY N . 51068 1 51 . 1 . 1 12 12 ARG H H 1 8.141 0.00 . . . . . . . 383 ARG HN . 51068 1 52 . 1 . 1 12 12 ARG C C 13 174.318 0.00 . . . . . . . 383 ARG C . 51068 1 53 . 1 . 1 12 12 ARG CA C 13 53.617 0.00 . . . . . . . 383 ARG CA . 51068 1 54 . 1 . 1 12 12 ARG CB C 13 27.857 0.00 . . . . . . . 383 ARG CB . 51068 1 55 . 1 . 1 12 12 ARG N N 15 120.177 0.05 . . . . . . . 383 ARG N . 51068 1 56 . 1 . 1 18 18 GLY C C 13 171.457 0.01 . . . . . . . 389 GLY C . 51068 1 57 . 1 . 1 18 18 GLY CA C 13 42.154 0.14 . . . . . . . 389 GLY CA . 51068 1 58 . 1 . 1 19 19 GLY H H 1 8.045 0.00 . . . . . . . 390 GLY HN . 51068 1 59 . 1 . 1 19 19 GLY C C 13 175.748 0.00 . . . . . . . 390 GLY C . 51068 1 60 . 1 . 1 19 19 GLY CA C 13 41.863 0.00 . . . . . . . 390 GLY CA . 51068 1 61 . 1 . 1 19 19 GLY N N 15 108.581 0.01 . . . . . . . 390 GLY N . 51068 1 62 . 1 . 1 20 20 PRO C C 13 174.692 0.00 . . . . . . . 391 PRO C . 51068 1 63 . 1 . 1 20 20 PRO CA C 13 60.609 0.05 . . . . . . . 391 PRO CA . 51068 1 64 . 1 . 1 20 20 PRO CB C 13 29.350 0.01 . . . . . . . 391 PRO CB . 51068 1 65 . 1 . 1 21 21 MET H H 1 8.449 0.00 . . . . . . . 392 MET HN . 51068 1 66 . 1 . 1 21 21 MET C C 13 174.110 0.01 . . . . . . . 392 MET C . 51068 1 67 . 1 . 1 21 21 MET CA C 13 52.816 0.02 . . . . . . . 392 MET CA . 51068 1 68 . 1 . 1 21 21 MET CB C 13 30.075 0.02 . . . . . . . 392 MET CB . 51068 1 69 . 1 . 1 21 21 MET N N 15 119.983 0.01 . . . . . . . 392 MET N . 51068 1 70 . 1 . 1 22 22 GLY H H 1 8.211 0.00 . . . . . . . 393 GLY HN . 51068 1 71 . 1 . 1 22 22 GLY C C 13 171.483 0.00 . . . . . . . 393 GLY C . 51068 1 72 . 1 . 1 22 22 GLY CA C 13 42.663 0.00 . . . . . . . 393 GLY CA . 51068 1 73 . 1 . 1 22 22 GLY N N 15 109.619 0.01 . . . . . . . 393 GLY N . 51068 1 74 . 1 . 1 24 24 GLY C C 13 171.746 0.01 . . . . . . . 395 GLY C . 51068 1 75 . 1 . 1 24 24 GLY CA C 13 42.452 0.06 . . . . . . . 395 GLY CA . 51068 1 76 . 1 . 1 25 25 GLY H H 1 8.108 0.00 . . . . . . . 396 GLY HN . 51068 1 77 . 1 . 1 25 25 GLY C C 13 171.272 0.00 . . . . . . . 396 GLY C . 51068 1 78 . 1 . 1 25 25 GLY CA C 13 42.358 0.03 . . . . . . . 396 GLY CA . 51068 1 79 . 1 . 1 25 25 GLY N N 15 108.300 0.01 . . . . . . . 396 GLY N . 51068 1 80 . 1 . 1 26 26 TYR H H 1 8.090 0.00 . . . . . . . 397 TYR HN . 51068 1 81 . 1 . 1 26 26 TYR C C 13 173.890 0.01 . . . . . . . 397 TYR C . 51068 1 82 . 1 . 1 26 26 TYR CA C 13 55.423 0.04 . . . . . . . 397 TYR CA . 51068 1 83 . 1 . 1 26 26 TYR CB C 13 36.048 0.01 . . . . . . . 397 TYR CB . 51068 1 84 . 1 . 1 26 26 TYR N N 15 120.138 0.00 . . . . . . . 397 TYR N . 51068 1 85 . 1 . 1 27 27 GLY H H 1 8.363 0.00 . . . . . . . 398 GLY HN . 51068 1 86 . 1 . 1 27 27 GLY C C 13 171.935 0.03 . . . . . . . 398 GLY C . 51068 1 87 . 1 . 1 27 27 GLY CA C 13 42.597 0.05 . . . . . . . 398 GLY CA . 51068 1 88 . 1 . 1 27 27 GLY N N 15 111.276 0.01 . . . . . . . 398 GLY N . 51068 1 89 . 1 . 1 28 28 GLY H H 1 7.852 0.00 . . . . . . . 399 GLY HN . 51068 1 90 . 1 . 1 28 28 GLY C C 13 172.031 0.00 . . . . . . . 399 GLY C . 51068 1 91 . 1 . 1 28 28 GLY CA C 13 42.581 0.00 . . . . . . . 399 GLY CA . 51068 1 92 . 1 . 1 28 28 GLY N N 15 108.228 0.00 . . . . . . . 399 GLY N . 51068 1 93 . 1 . 1 30 30 GLY C C 13 171.761 0.00 . . . . . . . 401 GLY C . 51068 1 94 . 1 . 1 30 30 GLY CA C 13 42.453 0.04 . . . . . . . 401 GLY CA . 51068 1 95 . 1 . 1 31 31 SER H H 1 8.269 0.00 . . . . . . . 402 SER HN . 51068 1 96 . 1 . 1 31 31 SER C C 13 172.563 0.01 . . . . . . . 402 SER C . 51068 1 97 . 1 . 1 31 31 SER CA C 13 55.832 0.05 . . . . . . . 402 SER CA . 51068 1 98 . 1 . 1 31 31 SER CB C 13 61.155 0.00 . . . . . . . 402 SER CB . 51068 1 99 . 1 . 1 31 31 SER N N 15 115.586 0.00 . . . . . . . 402 SER N . 51068 1 100 . 1 . 1 32 32 GLY H H 1 8.426 0.00 . . . . . . . 403 GLY HN . 51068 1 101 . 1 . 1 32 32 GLY C C 13 172.057 0.04 . . . . . . . 403 GLY C . 51068 1 102 . 1 . 1 32 32 GLY CA C 13 42.663 0.04 . . . . . . . 403 GLY CA . 51068 1 103 . 1 . 1 32 32 GLY N N 15 110.739 0.01 . . . . . . . 403 GLY N . 51068 1 104 . 1 . 1 33 33 GLY H H 1 8.207 0.00 . . . . . . . 404 GLY HN . 51068 1 105 . 1 . 1 33 33 GLY C C 13 172.166 0.00 . . . . . . . 404 GLY C . 51068 1 106 . 1 . 1 33 33 GLY CA C 13 42.644 0.00 . . . . . . . 404 GLY CA . 51068 1 107 . 1 . 1 33 33 GLY N N 15 108.606 0.01 . . . . . . . 404 GLY N . 51068 1 108 . 1 . 1 37 37 GLY C C 13 171.652 0.00 . . . . . . . 408 GLY C . 51068 1 109 . 1 . 1 37 37 GLY CA C 13 42.348 0.17 . . . . . . . 408 GLY CA . 51068 1 110 . 1 . 1 38 38 GLY H H 1 8.067 0.00 . . . . . . . 409 GLY HN . 51068 1 111 . 1 . 1 38 38 GLY C C 13 170.763 0.00 . . . . . . . 409 GLY C . 51068 1 112 . 1 . 1 38 38 GLY CA C 13 42.161 0.01 . . . . . . . 409 GLY CA . 51068 1 113 . 1 . 1 38 38 GLY N N 15 108.183 0.00 . . . . . . . 409 GLY N . 51068 1 114 . 1 . 1 39 39 PHE H H 1 8.010 0.00 . . . . . . . 410 PHE HN . 51068 1 115 . 1 . 1 39 39 PHE C C 13 171.426 0.00 . . . . . . . 410 PHE C . 51068 1 116 . 1 . 1 39 39 PHE CA C 13 53.117 0.00 . . . . . . . 410 PHE CA . 51068 1 117 . 1 . 1 39 39 PHE CB C 13 36.309 0.00 . . . . . . . 410 PHE CB . 51068 1 118 . 1 . 1 39 39 PHE N N 15 120.582 0.00 . . . . . . . 410 PHE N . 51068 1 119 . 1 . 1 40 40 PRO C C 13 174.304 0.01 . . . . . . . 411 PRO C . 51068 1 120 . 1 . 1 40 40 PRO CA C 13 60.607 0.05 . . . . . . . 411 PRO CA . 51068 1 121 . 1 . 1 40 40 PRO CB C 13 29.202 0.01 . . . . . . . 411 PRO CB . 51068 1 122 . 1 . 1 41 41 SER H H 1 8.352 0.00 . . . . . . . 412 SER HN . 51068 1 123 . 1 . 1 41 41 SER C C 13 172.576 0.01 . . . . . . . 412 SER C . 51068 1 124 . 1 . 1 41 41 SER CA C 13 55.880 0.06 . . . . . . . 412 SER CA . 51068 1 125 . 1 . 1 41 41 SER CB C 13 61.106 0.01 . . . . . . . 412 SER CB . 51068 1 126 . 1 . 1 41 41 SER N N 15 116.149 0.02 . . . . . . . 412 SER N . 51068 1 127 . 1 . 1 42 42 GLY H H 1 8.393 0.00 . . . . . . . 413 GLY HN . 51068 1 128 . 1 . 1 42 42 GLY C C 13 172.041 0.00 . . . . . . . 413 GLY C . 51068 1 129 . 1 . 1 42 42 GLY CA C 13 42.709 0.00 . . . . . . . 413 GLY CA . 51068 1 130 . 1 . 1 42 42 GLY N N 15 110.824 0.01 . . . . . . . 413 GLY N . 51068 1 131 . 1 . 1 48 48 GLY C C 13 171.472 0.00 . . . . . . . 419 GLY C . 51068 1 132 . 1 . 1 48 48 GLY CA C 13 42.444 0.04 . . . . . . . 419 GLY CA . 51068 1 133 . 1 . 1 49 49 GLN H H 1 8.191 0.00 . . . . . . . 420 GLN HN . 51068 1 134 . 1 . 1 49 49 GLN C C 13 173.157 0.01 . . . . . . . 420 GLN C . 51068 1 135 . 1 . 1 49 49 GLN CA C 13 53.133 0.05 . . . . . . . 420 GLN CA . 51068 1 136 . 1 . 1 49 49 GLN CB C 13 26.713 0.03 . . . . . . . 420 GLN CB . 51068 1 137 . 1 . 1 49 49 GLN N N 15 119.632 0.01 . . . . . . . 420 GLN N . 51068 1 138 . 1 . 1 50 50 GLN H H 1 8.377 0.00 . . . . . . . 421 GLN HN . 51068 1 139 . 1 . 1 50 50 GLN C C 13 172.253 0.00 . . . . . . . 421 GLN C . 51068 1 140 . 1 . 1 50 50 GLN CA C 13 53.335 0.07 . . . . . . . 421 GLN CA . 51068 1 141 . 1 . 1 50 50 GLN CB C 13 26.658 0.01 . . . . . . . 421 GLN CB . 51068 1 142 . 1 . 1 50 50 GLN N N 15 122.285 0.00 . . . . . . . 421 GLN N . 51068 1 143 . 1 . 1 51 51 ARG H H 1 7.965 0.00 . . . . . . . 422 ARG HN . 51068 1 144 . 1 . 1 51 51 ARG C C 13 171.640 0.00 . . . . . . . 422 ARG C . 51068 1 145 . 1 . 1 51 51 ARG CA C 13 54.762 0.00 . . . . . . . 422 ARG CA . 51068 1 146 . 1 . 1 51 51 ARG CB C 13 28.749 0.00 . . . . . . . 422 ARG CB . 51068 1 147 . 1 . 1 51 51 ARG N N 15 127.992 0.01 . . . . . . . 422 ARG N . 51068 1 stop_ save_