################################### # 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 53486 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name NFAT10WT_NUB1L_13C_15N _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 '2D 13C-13C DARR' . . . 53486 1 2 '2D 15N-13C ZF TEDOR' . . . 53486 1 3 '2D NCA' . . . 53486 1 4 '2D NCO' . . . 53486 1 5 '3D NCACX' . . . 53486 1 6 '3D NCOCX' . . . 53486 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 . . 53486 1 2 $software_2 . . 53486 1 3 $software_3 . . 53486 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 ALA C C 13 173.6083243 0.1189177738 . 1 . . . . . 1 ALA C . 53486 1 2 . 1 . 1 1 1 ALA CA C 13 52.02525317 0.1507719906 . 1 . . . . . 1 ALA CA . 53486 1 3 . 1 . 1 1 1 ALA CB C 13 20.41322064 0.01341784541 . 1 . . . . . 1 ALA CB . 53486 1 4 . 1 . 1 1 1 ALA N N 15 40.05189998 . . 1 . . . . . 1 ALA N . 53486 1 5 . 1 . 1 13 13 TRP CE2 C 13 138.9425302 . . 1 . . . . . 13 TRP CE2 . 53486 1 6 . 1 . 1 13 13 TRP NE1 N 15 129.8977892 . . 1 . . . . . 13 TRP NE1 . 53486 1 7 . 1 . 1 64 64 ILE C C 13 174.2645351 0.2007127901 . 1 . . . . . 64 ILE C . 53486 1 8 . 1 . 1 64 64 ILE CA C 13 60.22388517 0.1494925394 . 1 . . . . . 64 ILE CA . 53486 1 9 . 1 . 1 64 64 ILE CB C 13 39.44320812 0.1291144126 . 1 . . . . . 64 ILE CB . 53486 1 10 . 1 . 1 64 64 ILE CG1 C 13 27.97798731 0.1069547884 . 1 . . . . . 64 ILE CG1 . 53486 1 11 . 1 . 1 64 64 ILE CG2 C 13 16.75575844 0.0401229089 . 1 . . . . . 64 ILE CG2 . 53486 1 12 . 1 . 1 64 64 ILE CD1 C 13 13.70182719 0.06343527366 . 1 . . . . . 64 ILE CD1 . 53486 1 13 . 1 . 1 65 65 ASP C C 13 178.0494157 0.07327531992 . 1 . . . . . 65 ASP C . 53486 1 14 . 1 . 1 65 65 ASP CA C 13 52.64632572 0.03651280433 . 1 . . . . . 65 ASP CA . 53486 1 15 . 1 . 1 65 65 ASP CB C 13 40.89358905 0.05481649917 . 1 . . . . . 65 ASP CB . 53486 1 16 . 1 . 1 65 65 ASP CG C 13 179.1995573 0.0798083974 . 1 . . . . . 65 ASP CG . 53486 1 17 . 1 . 1 66 66 LYS C C 13 176.7802716 0.1928927282 . 1 . . . . . 66 LYS C . 53486 1 18 . 1 . 1 66 66 LYS CA C 13 58.91434142 0.06346990105 . 1 . . . . . 66 LYS CA . 53486 1 19 . 1 . 1 66 66 LYS CB C 13 32.76993762 0.08907068307 . 1 . . . . . 66 LYS CB . 53486 1 20 . 1 . 1 66 66 LYS CG C 13 24.90493276 0.1535227236 . 1 . . . . . 66 LYS CG . 53486 1 21 . 1 . 1 66 66 LYS CD C 13 29.384118 0.1102410405 . 1 . . . . . 66 LYS CD . 53486 1 22 . 1 . 1 66 66 LYS CE C 13 42.01707724 0.06096742312 . 1 . . . . . 66 LYS CE . 53486 1 23 . 1 . 1 66 66 LYS N N 15 129.4455352 0.2326666721 . 1 . . . . . 66 LYS N . 53486 1 24 . 1 . 1 66 66 LYS NZ N 15 32.72885888 . . 1 . . . . . 66 LYS NZ . 53486 1 25 . 1 . 1 67 67 GLU C C 13 177.6143276 0.1094370176 . 1 . . . . . 67 GLU C . 53486 1 26 . 1 . 1 67 67 GLU CA C 13 57.45974644 0.0734815365 . 1 . . . . . 67 GLU CA . 53486 1 27 . 1 . 1 67 67 GLU CB C 13 29.79630094 0.08348053129 . 1 . . . . . 67 GLU CB . 53486 1 28 . 1 . 1 67 67 GLU CG C 13 36.5833537 0.03660957991 . 1 . . . . . 67 GLU CG . 53486 1 29 . 1 . 1 67 67 GLU CD C 13 183.789922 0.08943971668 . 1 . . . . . 67 GLU CD . 53486 1 30 . 1 . 1 67 67 GLU N N 15 116.113321 0.105208815 . 1 . . . . . 67 GLU N . 53486 1 31 . 1 . 1 68 68 LYS C C 13 176.1616282 0.1257862191 . 1 . . . . . 68 LYS C . 53486 1 32 . 1 . 1 68 68 LYS CA C 13 55.28132319 0.1111394113 . 1 . . . . . 68 LYS CA . 53486 1 33 . 1 . 1 68 68 LYS CB C 13 35.76752636 0.07284850156 . 1 . . . . . 68 LYS CB . 53486 1 34 . 1 . 1 68 68 LYS CG C 13 25.07777387 0.06251165468 . 1 . . . . . 68 LYS CG . 53486 1 35 . 1 . 1 68 68 LYS CD C 13 29.19613622 0.1257741014 . 1 . . . . . 68 LYS CD . 53486 1 36 . 1 . 1 68 68 LYS CE C 13 42.03212191 0.07065252321 . 1 . . . . . 68 LYS CE . 53486 1 37 . 1 . 1 68 68 LYS N N 15 112.937557 0.2816086944 . 1 . . . . . 68 LYS N . 53486 1 38 . 1 . 1 68 68 LYS NZ N 15 32.72885888 . . 1 . . . . . 68 LYS NZ . 53486 1 39 . 1 . 1 69 69 THR C C 13 171.5276938 0.1170946832 . 1 . . . . . 69 THR C . 53486 1 40 . 1 . 1 69 69 THR CA C 13 63.08660008 0.0911812281 . 1 . . . . . 69 THR CA . 53486 1 41 . 1 . 1 69 69 THR CB C 13 69.91068389 0.06310467304 . 1 . . . . . 69 THR CB . 53486 1 42 . 1 . 1 69 69 THR CG2 C 13 22.43819793 0.128336775 . 1 . . . . . 69 THR CG2 . 53486 1 43 . 1 . 1 69 69 THR N N 15 116.6208622 0.1755005069 . 1 . . . . . 69 THR N . 53486 1 44 . 1 . 1 70 70 ILE C C 13 172.4704954 0.1359467769 . 1 . . . . . 70 ILE C . 53486 1 45 . 1 . 1 70 70 ILE CA C 13 60.38406224 0.07026025849 . 1 . . . . . 70 ILE CA . 53486 1 46 . 1 . 1 70 70 ILE CB C 13 44.98331123 0.05459113236 . 1 . . . . . 70 ILE CB . 53486 1 47 . 1 . 1 70 70 ILE CG1 C 13 31.2421626 0.06109025593 . 1 . . . . . 70 ILE CG1 . 53486 1 48 . 1 . 1 70 70 ILE CG2 C 13 14.89638716 0.0574527993 . 1 . . . . . 70 ILE CG2 . 53486 1 49 . 1 . 1 70 70 ILE CD1 C 13 16.80362399 0.04680807048 . 1 . . . . . 70 ILE CD1 . 53486 1 50 . 1 . 1 70 70 ILE N N 15 124.3859331 0.1253185184 . 1 . . . . . 70 ILE N . 53486 1 51 . 1 . 1 71 71 HIS C C 13 172.3817539 0.1038329106 . 1 . . . . . 71 HIS C . 53486 1 52 . 1 . 1 71 71 HIS CA C 13 56.5339549 0.05840545298 . 1 . . . . . 71 HIS CA . 53486 1 53 . 1 . 1 71 71 HIS CB C 13 32.19361329 0.06816303971 . 1 . . . . . 71 HIS CB . 53486 1 54 . 1 . 1 71 71 HIS CG C 13 129.5454914 0.06492363735 . 1 . . . . . 71 HIS CG . 53486 1 55 . 1 . 1 71 71 HIS CD2 C 13 120.1748013 0.08426544706 . 1 . . . . . 71 HIS CD2 . 53486 1 56 . 1 . 1 71 71 HIS CE1 C 13 134.5509779 0.05905370034 . 1 . . . . . 71 HIS CE1 . 53486 1 57 . 1 . 1 71 71 HIS N N 15 120.0208484 0.1562588932 . 1 . . . . . 71 HIS N . 53486 1 58 . 1 . 1 71 71 HIS ND1 N 15 182.1907688 0.02140417662 . 1 . . . . . 71 HIS ND1 . 53486 1 59 . 1 . 1 71 71 HIS NE2 N 15 175.0916309 0.02598998908 . 1 . . . . . 71 HIS NE2 . 53486 1 60 . 1 . 1 72 72 LEU C C 13 175.2483456 0.05903581089 . 1 . . . . . 72 LEU C . 53486 1 61 . 1 . 1 72 72 LEU CA C 13 52.58237849 0.07263069678 . 1 . . . . . 72 LEU CA . 53486 1 62 . 1 . 1 72 72 LEU CB C 13 43.52024019 0.05249363878 . 1 . . . . . 72 LEU CB . 53486 1 63 . 1 . 1 72 72 LEU CG C 13 26.95822859 0.08361249983 . 1 . . . . . 72 LEU CG . 53486 1 64 . 1 . 1 72 72 LEU CD1 C 13 23.14171537 0.07840645168 . 2 . . . . . 72 LEU CD1 . 53486 1 65 . 1 . 1 72 72 LEU N N 15 124.8853776 0.1437396679 . 1 . . . . . 72 LEU N . 53486 1 66 . 1 . 1 73 73 THR C C 13 172.8763439 0.1526644204 . 1 . . . . . 73 THR C . 53486 1 67 . 1 . 1 73 73 THR CA C 13 60.50897678 0.05934948937 . 1 . . . . . 73 THR CA . 53486 1 68 . 1 . 1 73 73 THR CB C 13 71.86693049 0.09598101338 . 1 . . . . . 73 THR CB . 53486 1 69 . 1 . 1 73 73 THR CG2 C 13 22.11494401 0.06654997639 . 1 . . . . . 73 THR CG2 . 53486 1 70 . 1 . 1 73 73 THR N N 15 120.554345 0.206914618 . 1 . . . . . 73 THR N . 53486 1 71 . 1 . 1 74 74 LEU C C 13 174.6645182 0.07290631455 . 1 . . . . . 74 LEU C . 53486 1 72 . 1 . 1 74 74 LEU CA C 13 53.53072786 0.1266900121 . 1 . . . . . 74 LEU CA . 53486 1 73 . 1 . 1 74 74 LEU CB C 13 43.88314174 0.1343116045 . 1 . . . . . 74 LEU CB . 53486 1 74 . 1 . 1 74 74 LEU CG C 13 26.94072328 0.04974575467 . 1 . . . . . 74 LEU CG . 53486 1 75 . 1 . 1 74 74 LEU N N 15 126.5452289 0.1769996581 . 1 . . . . . 74 LEU N . 53486 1 76 . 1 . 1 75 75 LYS C C 13 174.5935777 0.05290887852 . 1 . . . . . 75 LYS C . 53486 1 77 . 1 . 1 75 75 LYS CA C 13 53.7391726 0.100325729 . 1 . . . . . 75 LYS CA . 53486 1 78 . 1 . 1 75 75 LYS CB C 13 35.2880295 0.1089061122 . 1 . . . . . 75 LYS CB . 53486 1 79 . 1 . 1 75 75 LYS CG C 13 23.96754624 0.09464890978 . 1 . . . . . 75 LYS CG . 53486 1 80 . 1 . 1 75 75 LYS CD C 13 29.37446859 0.04956357591 . 1 . . . . . 75 LYS CD . 53486 1 81 . 1 . 1 75 75 LYS CE C 13 41.92852839 0.08090391448 . 1 . . . . . 75 LYS CE . 53486 1 82 . 1 . 1 75 75 LYS N N 15 123.7889911 0.260641318 . 1 . . . . . 75 LYS N . 53486 1 83 . 1 . 1 75 75 LYS NZ N 15 32.72885888 . . 1 . . . . . 75 LYS NZ . 53486 1 84 . 1 . 1 76 76 VAL C C 13 175.6291261 0.1052777316 . 1 . . . . . 76 VAL C . 53486 1 85 . 1 . 1 76 76 VAL CA C 13 62.56649672 0.09274428622 . 1 . . . . . 76 VAL CA . 53486 1 86 . 1 . 1 76 76 VAL CB C 13 32.38452664 0.05746967991 . 1 . . . . . 76 VAL CB . 53486 1 87 . 1 . 1 76 76 VAL CG1 C 13 22.09768249 0.06214627687 . 1 . . . . . 76 VAL CG1 . 53486 1 88 . 1 . 1 76 76 VAL CG2 C 13 21.17766594 0.05955949643 . 1 . . . . . 76 VAL CG2 . 53486 1 89 . 1 . 1 76 76 VAL N N 15 123.0611082 0.2163553427 . 1 . . . . . 76 VAL N . 53486 1 90 . 1 . 1 77 77 VAL C C 13 174.3815043 0.0560455147 . 1 . . . . . 77 VAL C . 53486 1 91 . 1 . 1 77 77 VAL CA C 13 62.10627173 0.05900111041 . 1 . . . . . 77 VAL CA . 53486 1 92 . 1 . 1 77 77 VAL CB C 13 30.91020175 0.02191398256 . 1 . . . . . 77 VAL CB . 53486 1 93 . 1 . 1 77 77 VAL CG1 C 13 21.16330558 0.03045920851 . 2 . . . . . 77 VAL CG1 . 53486 1 94 . 1 . 1 77 77 VAL N N 15 131.7486699 0.1191245051 . 1 . . . . . 77 VAL N . 53486 1 stop_ save_