################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5403 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 TROSY 1 $sample_1 . 5403 1 2 TROSY-HNCA 1 $sample_1 . 5403 1 3 TROSY-HN(CO)CA 1 $sample_1 . 5403 1 4 TROSY-HNCACB 1 $sample_1 . 5403 1 5 TROSY-HNCO 1 $sample_1 . 5403 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 8 8 VAL H H 1 7.8960 0.0153 . 1 . . . . . 8 VAL H . 5403 1 2 . 1 . 1 8 8 VAL C C 13 179.1400 0.0000 . 1 . . . . . 8 VAL C . 5403 1 3 . 1 . 1 8 8 VAL CA C 13 58.6250 0.3660 . 1 . . . . . 8 VAL CA . 5403 1 4 . 1 . 1 8 8 VAL N N 15 115.3860 0.0578 . 1 . . . . . 8 VAL N . 5403 1 5 . 1 . 1 9 9 VAL H H 1 8.5410 0.0153 . 1 . . . . . 9 VAL H . 5403 1 6 . 1 . 1 9 9 VAL C C 13 177.9188 0.0000 . 1 . . . . . 9 VAL C . 5403 1 7 . 1 . 1 9 9 VAL CA C 13 61.4830 0.3660 . 1 . . . . . 9 VAL CA . 5403 1 8 . 1 . 1 9 9 VAL CB C 13 33.9580 2.1390 . 1 . . . . . 9 VAL CB . 5403 1 9 . 1 . 1 9 9 VAL N N 15 124.9350 0.0578 . 1 . . . . . 9 VAL N . 5403 1 10 . 1 . 1 10 10 ILE H H 1 9.2200 0.0153 . 1 . . . . . 10 ILE H . 5403 1 11 . 1 . 1 10 10 ILE CA C 13 60.2440 0.3660 . 1 . . . . . 10 ILE CA . 5403 1 12 . 1 . 1 10 10 ILE CB C 13 40.8660 2.1390 . 1 . . . . . 10 ILE CB . 5403 1 13 . 1 . 1 10 10 ILE N N 15 126.9940 0.0578 . 1 . . . . . 10 ILE N . 5403 1 14 . 1 . 1 11 11 LYS H H 1 9.3550 0.0153 . 1 . . . . . 11 LYS H . 5403 1 15 . 1 . 1 11 11 LYS C C 13 176.2136 0.0000 . 1 . . . . . 11 LYS C . 5403 1 16 . 1 . 1 11 11 LYS CA C 13 53.1010 0.3660 . 1 . . . . . 11 LYS CA . 5403 1 17 . 1 . 1 11 11 LYS CB C 13 35.8780 2.1390 . 1 . . . . . 11 LYS CB . 5403 1 18 . 1 . 1 11 11 LYS N N 15 128.1160 0.0578 . 1 . . . . . 11 LYS N . 5403 1 19 . 1 . 1 12 12 ALA H H 1 8.3090 0.0153 . 1 . . . . . 12 ALA H . 5403 1 20 . 1 . 1 12 12 ALA C C 13 174.2298 0.0000 . 1 . . . . . 12 ALA C . 5403 1 21 . 1 . 1 12 12 ALA CA C 13 53.0670 0.3660 . 1 . . . . . 12 ALA CA . 5403 1 22 . 1 . 1 12 12 ALA CB C 13 19.9210 2.1390 . 1 . . . . . 12 ALA CB . 5403 1 23 . 1 . 1 12 12 ALA N N 15 130.4230 0.0578 . 1 . . . . . 12 ALA N . 5403 1 24 . 1 . 1 13 13 LEU H H 1 8.9810 0.0153 . 1 . . . . . 13 LEU H . 5403 1 25 . 1 . 1 13 13 LEU C C 13 177.1714 0.0000 . 1 . . . . . 13 LEU C . 5403 1 26 . 1 . 1 13 13 LEU CA C 13 53.6260 0.3660 . 1 . . . . . 13 LEU CA . 5403 1 27 . 1 . 1 13 13 LEU CB C 13 41.1800 2.1390 . 1 . . . . . 13 LEU CB . 5403 1 28 . 1 . 1 13 13 LEU N N 15 124.4500 0.0578 . 1 . . . . . 13 LEU N . 5403 1 29 . 1 . 1 14 14 GLU H H 1 7.6930 0.0153 . 1 . . . . . 14 GLU H . 5403 1 30 . 1 . 1 14 14 GLU C C 13 179.6025 0.0000 . 1 . . . . . 14 GLU C . 5403 1 31 . 1 . 1 14 14 GLU CA C 13 53.3300 0.3660 . 1 . . . . . 14 GLU CA . 5403 1 32 . 1 . 1 14 14 GLU CB C 13 31.7490 2.1390 . 1 . . . . . 14 GLU CB . 5403 1 33 . 1 . 1 14 14 GLU N N 15 117.1640 0.0578 . 1 . . . . . 14 GLU N . 5403 1 34 . 1 . 1 15 15 ASP H H 1 8.2880 0.0153 . 1 . . . . . 15 ASP H . 5403 1 35 . 1 . 1 15 15 ASP CA C 13 54.9860 0.3660 . 1 . . . . . 15 ASP CA . 5403 1 36 . 1 . 1 15 15 ASP CB C 13 40.5970 2.1390 . 1 . . . . . 15 ASP CB . 5403 1 37 . 1 . 1 15 15 ASP N N 15 118.3370 0.0578 . 1 . . . . . 15 ASP N . 5403 1 38 . 1 . 1 16 16 GLY C C 13 177.2614 0.0000 . 1 . . . . . 16 GLY C . 5403 1 39 . 1 . 1 16 16 GLY CA C 13 46.1480 0.3660 . 1 . . . . . 16 GLY CA . 5403 1 40 . 1 . 1 17 17 VAL H H 1 7.6550 0.0153 . 1 . . . . . 17 VAL H . 5403 1 41 . 1 . 1 17 17 VAL C C 13 176.8610 0.0000 . 1 . . . . . 17 VAL C . 5403 1 42 . 1 . 1 17 17 VAL CA C 13 63.3660 0.3660 . 1 . . . . . 17 VAL CA . 5403 1 43 . 1 . 1 17 17 VAL CB C 13 32.1030 2.1390 . 1 . . . . . 17 VAL CB . 5403 1 44 . 1 . 1 17 17 VAL N N 15 124.0820 0.0578 . 1 . . . . . 17 VAL N . 5403 1 45 . 1 . 1 18 18 ASN H H 1 8.6590 0.0153 . 1 . . . . . 18 ASN H . 5403 1 46 . 1 . 1 18 18 ASN C C 13 179.3636 0.0000 . 1 . . . . . 18 ASN C . 5403 1 47 . 1 . 1 18 18 ASN CA C 13 51.7920 0.3660 . 1 . . . . . 18 ASN CA . 5403 1 48 . 1 . 1 18 18 ASN CB C 13 41.8560 2.1390 . 1 . . . . . 18 ASN CB . 5403 1 49 . 1 . 1 18 18 ASN N N 15 125.2680 0.0578 . 1 . . . . . 18 ASN N . 5403 1 50 . 1 . 1 19 19 VAL H H 1 8.4800 0.0153 . 1 . . . . . 19 VAL H . 5403 1 51 . 1 . 1 19 19 VAL C C 13 178.3280 0.0000 . 1 . . . . . 19 VAL C . 5403 1 52 . 1 . 1 19 19 VAL CA C 13 61.7620 0.3660 . 1 . . . . . 19 VAL CA . 5403 1 53 . 1 . 1 19 19 VAL CB C 13 31.6880 2.1390 . 1 . . . . . 19 VAL CB . 5403 1 54 . 1 . 1 19 19 VAL N N 15 124.6440 0.0578 . 1 . . . . . 19 VAL N . 5403 1 55 . 1 . 1 20 20 ILE H H 1 9.3260 0.0153 . 1 . . . . . 20 ILE H . 5403 1 56 . 1 . 1 20 20 ILE CA C 13 59.9260 0.3660 . 1 . . . . . 20 ILE CA . 5403 1 57 . 1 . 1 20 20 ILE CB C 13 40.0430 2.1390 . 1 . . . . . 20 ILE CB . 5403 1 58 . 1 . 1 20 20 ILE N N 15 129.2550 0.0578 . 1 . . . . . 20 ILE N . 5403 1 59 . 1 . 1 21 21 GLY H H 1 8.7900 0.0153 . 1 . . . . . 21 GLY H . 5403 1 60 . 1 . 1 21 21 GLY CA C 13 45.3640 0.3660 . 1 . . . . . 21 GLY CA . 5403 1 61 . 1 . 1 21 21 GLY N N 15 114.2960 0.0578 . 1 . . . . . 21 GLY N . 5403 1 62 . 1 . 1 22 22 LEU H H 1 8.5150 0.0153 . 1 . . . . . 22 LEU H . 5403 1 63 . 1 . 1 22 22 LEU CA C 13 54.2210 0.3660 . 1 . . . . . 22 LEU CA . 5403 1 64 . 1 . 1 22 22 LEU CB C 13 41.4570 2.1390 . 1 . . . . . 22 LEU CB . 5403 1 65 . 1 . 1 22 22 LEU N N 15 127.5260 0.0578 . 1 . . . . . 22 LEU N . 5403 1 66 . 1 . 1 23 23 THR H H 1 8.5820 0.0153 . 1 . . . . . 23 THR H . 5403 1 67 . 1 . 1 23 23 THR CA C 13 60.4440 0.3660 . 1 . . . . . 23 THR CA . 5403 1 68 . 1 . 1 23 23 THR CB C 13 69.6270 2.1390 . 1 . . . . . 23 THR CB . 5403 1 69 . 1 . 1 23 23 THR N N 15 110.6970 0.0578 . 1 . . . . . 23 THR N . 5403 1 70 . 1 . 1 24 24 ARG H H 1 7.3360 0.0153 . 1 . . . . . 24 ARG H . 5403 1 71 . 1 . 1 24 24 ARG CA C 13 55.8410 0.3660 . 1 . . . . . 24 ARG CA . 5403 1 72 . 1 . 1 24 24 ARG CB C 13 30.3970 2.1390 . 1 . . . . . 24 ARG CB . 5403 1 73 . 1 . 1 24 24 ARG N N 15 124.6140 0.0578 . 1 . . . . . 24 ARG N . 5403 1 74 . 1 . 1 25 25 GLY H H 1 7.9690 0.0153 . 1 . . . . . 25 GLY H . 5403 1 75 . 1 . 1 25 25 GLY CA C 13 43.3750 0.3660 . 1 . . . . . 25 GLY CA . 5403 1 76 . 1 . 1 25 25 GLY N N 15 115.4110 0.0578 . 1 . . . . . 25 GLY N . 5403 1 77 . 1 . 1 30 30 PHE C C 13 175.1916 0.0000 . 1 . . . . . 30 PHE C . 5403 1 78 . 1 . 1 30 30 PHE CA C 13 54.7750 0.3660 . 1 . . . . . 30 PHE CA . 5403 1 79 . 1 . 1 30 30 PHE CB C 13 37.3400 2.1390 . 1 . . . . . 30 PHE CB . 5403 1 80 . 1 . 1 31 31 HIS H H 1 8.4290 0.0153 . 1 . . . . . 31 HIS H . 5403 1 81 . 1 . 1 31 31 HIS CA C 13 55.8460 0.3660 . 1 . . . . . 31 HIS CA . 5403 1 82 . 1 . 1 31 31 HIS CB C 13 32.3020 2.1390 . 1 . . . . . 31 HIS CB . 5403 1 83 . 1 . 1 31 31 HIS N N 15 122.5620 0.0578 . 1 . . . . . 31 HIS N . 5403 1 84 . 1 . 1 32 32 HIS H H 1 9.6870 0.0153 . 1 . . . . . 32 HIS H . 5403 1 85 . 1 . 1 32 32 HIS CA C 13 57.4380 0.3660 . 1 . . . . . 32 HIS CA . 5403 1 86 . 1 . 1 32 32 HIS CB C 13 33.7150 2.1390 . 1 . . . . . 32 HIS CB . 5403 1 87 . 1 . 1 32 32 HIS N N 15 119.4710 0.0578 . 1 . . . . . 32 HIS N . 5403 1 88 . 1 . 1 33 33 SER H H 1 6.9490 0.0153 . 1 . . . . . 33 SER H . 5403 1 89 . 1 . 1 33 33 SER C C 13 179.7877 0.0000 . 1 . . . . . 33 SER C . 5403 1 90 . 1 . 1 33 33 SER CA C 13 55.4420 0.3660 . 1 . . . . . 33 SER CA . 5403 1 91 . 1 . 1 33 33 SER CB C 13 63.6370 2.1390 . 1 . . . . . 33 SER CB . 5403 1 92 . 1 . 1 33 33 SER N N 15 121.2170 0.0578 . 1 . . . . . 33 SER N . 5403 1 93 . 1 . 1 34 34 GLU H H 1 9.2040 0.0153 . 1 . . . . . 34 GLU H . 5403 1 94 . 1 . 1 34 34 GLU C C 13 177.8255 0.0000 . 1 . . . . . 34 GLU C . 5403 1 95 . 1 . 1 34 34 GLU CA C 13 53.8340 0.3660 . 1 . . . . . 34 GLU CA . 5403 1 96 . 1 . 1 34 34 GLU CB C 13 30.7050 2.1390 . 1 . . . . . 34 GLU CB . 5403 1 97 . 1 . 1 34 34 GLU N N 15 129.8480 0.0578 . 1 . . . . . 34 GLU N . 5403 1 98 . 1 . 1 35 35 LYS H H 1 8.0380 0.0153 . 1 . . . . . 35 LYS H . 5403 1 99 . 1 . 1 35 35 LYS C C 13 176.4405 0.0000 . 1 . . . . . 35 LYS C . 5403 1 100 . 1 . 1 35 35 LYS CA C 13 54.9550 0.3660 . 1 . . . . . 35 LYS CA . 5403 1 101 . 1 . 1 35 35 LYS CB C 13 31.8720 2.1390 . 1 . . . . . 35 LYS CB . 5403 1 102 . 1 . 1 35 35 LYS N N 15 129.2580 0.0578 . 1 . . . . . 35 LYS N . 5403 1 103 . 1 . 1 36 36 LEU H H 1 9.0440 0.0153 . 1 . . . . . 36 LEU H . 5403 1 104 . 1 . 1 36 36 LEU C C 13 177.1515 0.0000 . 1 . . . . . 36 LEU C . 5403 1 105 . 1 . 1 36 36 LEU CA C 13 53.1260 0.3660 . 1 . . . . . 36 LEU CA . 5403 1 106 . 1 . 1 36 36 LEU CB C 13 45.3180 2.1390 . 1 . . . . . 36 LEU CB . 5403 1 107 . 1 . 1 36 36 LEU N N 15 128.7120 0.0578 . 1 . . . . . 36 LEU N . 5403 1 108 . 1 . 1 37 37 ASP H H 1 8.4720 0.0153 . 1 . . . . . 37 ASP H . 5403 1 109 . 1 . 1 37 37 ASP C C 13 176.7482 0.0000 . 1 . . . . . 37 ASP C . 5403 1 110 . 1 . 1 37 37 ASP CA C 13 52.4330 0.3660 . 1 . . . . . 37 ASP CA . 5403 1 111 . 1 . 1 37 37 ASP CB C 13 41.8260 2.1390 . 1 . . . . . 37 ASP CB . 5403 1 112 . 1 . 1 37 37 ASP N N 15 123.4800 0.0578 . 1 . . . . . 37 ASP N . 5403 1 113 . 1 . 1 38 38 LYS H H 1 8.7100 0.0153 . 1 . . . . . 38 LYS H . 5403 1 114 . 1 . 1 38 38 LYS C C 13 175.0256 0.0000 . 1 . . . . . 38 LYS C . 5403 1 115 . 1 . 1 38 38 LYS CA C 13 59.3760 0.3660 . 1 . . . . . 38 LYS CA . 5403 1 116 . 1 . 1 38 38 LYS CB C 13 31.8100 2.1390 . 1 . . . . . 38 LYS CB . 5403 1 117 . 1 . 1 38 38 LYS N N 15 119.4840 0.0578 . 1 . . . . . 38 LYS N . 5403 1 118 . 1 . 1 39 39 GLY H H 1 8.5570 0.0153 . 1 . . . . . 39 GLY H . 5403 1 119 . 1 . 1 39 39 GLY C C 13 178.2853 0.0000 . 1 . . . . . 39 GLY C . 5403 1 120 . 1 . 1 39 39 GLY CA C 13 45.1750 0.3660 . 1 . . . . . 39 GLY CA . 5403 1 121 . 1 . 1 39 39 GLY N N 15 115.5460 0.0578 . 1 . . . . . 39 GLY N . 5403 1 122 . 1 . 1 40 40 GLU H H 1 8.1230 0.0153 . 1 . . . . . 40 GLU H . 5403 1 123 . 1 . 1 40 40 GLU C C 13 176.8562 0.0000 . 1 . . . . . 40 GLU C . 5403 1 124 . 1 . 1 40 40 GLU CA C 13 56.7890 0.3660 . 1 . . . . . 40 GLU CA . 5403 1 125 . 1 . 1 40 40 GLU CB C 13 31.8100 2.1390 . 1 . . . . . 40 GLU CB . 5403 1 126 . 1 . 1 40 40 GLU N N 15 120.7060 0.0578 . 1 . . . . . 40 GLU N . 5403 1 127 . 1 . 1 41 41 VAL H H 1 7.4540 0.0153 . 1 . . . . . 41 VAL H . 5403 1 128 . 1 . 1 41 41 VAL C C 13 178.7112 0.0000 . 1 . . . . . 41 VAL C . 5403 1 129 . 1 . 1 41 41 VAL CA C 13 59.6140 0.3660 . 1 . . . . . 41 VAL CA . 5403 1 130 . 1 . 1 41 41 VAL CB C 13 35.6190 2.1390 . 1 . . . . . 41 VAL CB . 5403 1 131 . 1 . 1 41 41 VAL N N 15 118.9090 0.0578 . 1 . . . . . 41 VAL N . 5403 1 132 . 1 . 1 42 42 LEU H H 1 9.2580 0.0153 . 1 . . . . . 42 LEU H . 5403 1 133 . 1 . 1 42 42 LEU C C 13 178.5874 0.0000 . 1 . . . . . 42 LEU C . 5403 1 134 . 1 . 1 42 42 LEU CA C 13 52.3890 0.3660 . 1 . . . . . 42 LEU CA . 5403 1 135 . 1 . 1 42 42 LEU CB C 13 46.6180 2.1390 . 1 . . . . . 42 LEU CB . 5403 1 136 . 1 . 1 42 42 LEU N N 15 128.7260 0.0578 . 1 . . . . . 42 LEU N . 5403 1 137 . 1 . 1 43 43 ILE H H 1 9.3880 0.0153 . 1 . . . . . 43 ILE H . 5403 1 138 . 1 . 1 43 43 ILE C C 13 177.0136 0.0000 . 1 . . . . . 43 ILE C . 5403 1 139 . 1 . 1 43 43 ILE CA C 13 60.2960 0.3660 . 1 . . . . . 43 ILE CA . 5403 1 140 . 1 . 1 43 43 ILE CB C 13 38.2620 2.1390 . 1 . . . . . 43 ILE CB . 5403 1 141 . 1 . 1 43 43 ILE N N 15 128.6980 0.0578 . 1 . . . . . 43 ILE N . 5403 1 142 . 1 . 1 44 44 ALA H H 1 8.7840 0.0153 . 1 . . . . . 44 ALA H . 5403 1 143 . 1 . 1 44 44 ALA C C 13 182.0850 0.0000 . 1 . . . . . 44 ALA C . 5403 1 144 . 1 . 1 44 44 ALA CA C 13 50.6710 0.3660 . 1 . . . . . 44 ALA CA . 5403 1 145 . 1 . 1 44 44 ALA CB C 13 21.5200 2.1390 . 1 . . . . . 44 ALA CB . 5403 1 146 . 1 . 1 44 44 ALA N N 15 128.7040 0.0578 . 1 . . . . . 44 ALA N . 5403 1 147 . 1 . 1 45 45 GLN H H 1 7.6970 0.0153 . 1 . . . . . 45 GLN H . 5403 1 148 . 1 . 1 45 45 GLN C C 13 176.9307 0.0000 . 1 . . . . . 45 GLN C . 5403 1 149 . 1 . 1 45 45 GLN CA C 13 55.4030 0.3660 . 1 . . . . . 45 GLN CA . 5403 1 150 . 1 . 1 45 45 GLN CB C 13 31.1350 2.1390 . 1 . . . . . 45 GLN CB . 5403 1 151 . 1 . 1 45 45 GLN N N 15 120.6360 0.0578 . 1 . . . . . 45 GLN N . 5403 1 152 . 1 . 1 46 46 PHE H H 1 7.1240 0.0153 . 1 . . . . . 46 PHE H . 5403 1 153 . 1 . 1 46 46 PHE CA C 13 59.4950 0.3660 . 1 . . . . . 46 PHE CA . 5403 1 154 . 1 . 1 46 46 PHE CB C 13 39.5390 2.1390 . 1 . . . . . 46 PHE CB . 5403 1 155 . 1 . 1 46 46 PHE N N 15 117.2200 0.0578 . 1 . . . . . 46 PHE N . 5403 1 156 . 1 . 1 47 47 THR CA C 13 59.4350 0.3660 . 1 . . . . . 47 THR CA . 5403 1 157 . 1 . 1 48 48 GLU H H 1 8.0990 0.0153 . 1 . . . . . 48 GLU H . 5403 1 158 . 1 . 1 48 48 GLU CA C 13 54.2930 0.3660 . 1 . . . . . 48 GLU CA . 5403 1 159 . 1 . 1 48 48 GLU N N 15 113.0970 0.0578 . 1 . . . . . 48 GLU N . 5403 1 160 . 1 . 1 49 49 HIS H H 1 8.6780 0.0153 . 1 . . . . . 49 HIS H . 5403 1 161 . 1 . 1 49 49 HIS C C 13 176.4905 0.0000 . 1 . . . . . 49 HIS C . 5403 1 162 . 1 . 1 49 49 HIS CA C 13 58.5530 0.3660 . 1 . . . . . 49 HIS CA . 5403 1 163 . 1 . 1 49 49 HIS N N 15 117.1130 0.0578 . 1 . . . . . 49 HIS N . 5403 1 164 . 1 . 1 50 50 THR H H 1 7.7820 0.0153 . 1 . . . . . 50 THR H . 5403 1 165 . 1 . 1 50 50 THR CA C 13 60.2170 0.3660 . 1 . . . . . 50 THR CA . 5403 1 166 . 1 . 1 50 50 THR CB C 13 69.1440 2.1390 . 1 . . . . . 50 THR CB . 5403 1 167 . 1 . 1 50 50 THR N N 15 120.7180 0.0578 . 1 . . . . . 50 THR N . 5403 1 168 . 1 . 1 51 51 SER H H 1 7.5880 0.0153 . 1 . . . . . 51 SER H . 5403 1 169 . 1 . 1 51 51 SER C C 13 180.6995 0.0000 . 1 . . . . . 51 SER C . 5403 1 170 . 1 . 1 51 51 SER CA C 13 56.3740 0.3660 . 1 . . . . . 51 SER CA . 5403 1 171 . 1 . 1 51 51 SER CB C 13 64.9580 2.1390 . 1 . . . . . 51 SER CB . 5403 1 172 . 1 . 1 51 51 SER N N 15 118.2790 0.0578 . 1 . . . . . 51 SER N . 5403 1 173 . 1 . 1 52 52 ALA H H 1 7.5750 0.0153 . 1 . . . . . 52 ALA H . 5403 1 174 . 1 . 1 52 52 ALA C C 13 178.2423 0.0000 . 1 . . . . . 52 ALA C . 5403 1 175 . 1 . 1 52 52 ALA CA C 13 51.5650 0.3660 . 1 . . . . . 52 ALA CA . 5403 1 176 . 1 . 1 52 52 ALA CB C 13 20.6590 2.1390 . 1 . . . . . 52 ALA CB . 5403 1 177 . 1 . 1 52 52 ALA N N 15 121.1340 0.0578 . 1 . . . . . 52 ALA N . 5403 1 178 . 1 . 1 53 53 ILE H H 1 9.1740 0.0153 . 1 . . . . . 53 ILE H . 5403 1 179 . 1 . 1 53 53 ILE C C 13 178.7465 0.0000 . 1 . . . . . 53 ILE C . 5403 1 180 . 1 . 1 53 53 ILE CA C 13 59.5710 0.3660 . 1 . . . . . 53 ILE CA . 5403 1 181 . 1 . 1 53 53 ILE CB C 13 42.8080 2.1390 . 1 . . . . . 53 ILE CB . 5403 1 182 . 1 . 1 53 53 ILE N N 15 122.3160 0.0578 . 1 . . . . . 53 ILE N . 5403 1 183 . 1 . 1 54 54 LYS H H 1 9.3580 0.0153 . 1 . . . . . 54 LYS H . 5403 1 184 . 1 . 1 54 54 LYS C C 13 178.2740 0.0000 . 1 . . . . . 54 LYS C . 5403 1 185 . 1 . 1 54 54 LYS CA C 13 53.6020 0.3660 . 1 . . . . . 54 LYS CA . 5403 1 186 . 1 . 1 54 54 LYS CB C 13 35.8170 2.1390 . 1 . . . . . 54 LYS CB . 5403 1 187 . 1 . 1 54 54 LYS N N 15 130.3890 0.0578 . 1 . . . . . 54 LYS N . 5403 1 188 . 1 . 1 55 55 VAL H H 1 9.0600 0.0153 . 1 . . . . . 55 VAL H . 5403 1 189 . 1 . 1 55 55 VAL C C 13 178.1228 0.0000 . 1 . . . . . 55 VAL C . 5403 1 190 . 1 . 1 55 55 VAL CA C 13 61.4920 0.3660 . 1 . . . . . 55 VAL CA . 5403 1 191 . 1 . 1 55 55 VAL CB C 13 33.6540 2.1390 . 1 . . . . . 55 VAL CB . 5403 1 192 . 1 . 1 55 55 VAL N N 15 126.4260 0.0578 . 1 . . . . . 55 VAL N . 5403 1 193 . 1 . 1 56 56 ARG H H 1 8.3860 0.0153 . 1 . . . . . 56 ARG H . 5403 1 194 . 1 . 1 56 56 ARG C C 13 177.1318 0.0000 . 1 . . . . . 56 ARG C . 5403 1 195 . 1 . 1 56 56 ARG CA C 13 54.4960 0.3660 . 1 . . . . . 56 ARG CA . 5403 1 196 . 1 . 1 56 56 ARG CB C 13 33.1010 2.1390 . 1 . . . . . 56 ARG CB . 5403 1 197 . 1 . 1 56 56 ARG N N 15 125.8360 0.0578 . 1 . . . . . 56 ARG N . 5403 1 198 . 1 . 1 57 57 GLY H H 1 8.2050 0.0153 . 1 . . . . . 57 GLY H . 5403 1 199 . 1 . 1 57 57 GLY C C 13 180.1373 0.0000 . 1 . . . . . 57 GLY C . 5403 1 200 . 1 . 1 57 57 GLY CA C 13 42.9230 0.3660 . 1 . . . . . 57 GLY CA . 5403 1 201 . 1 . 1 57 57 GLY N N 15 114.2470 0.0578 . 1 . . . . . 57 GLY N . 5403 1 202 . 1 . 1 58 58 LYS H H 1 8.8540 0.0153 . 1 . . . . . 58 LYS H . 5403 1 203 . 1 . 1 58 58 LYS C C 13 178.2263 0.0000 . 1 . . . . . 58 LYS C . 5403 1 204 . 1 . 1 58 58 LYS CA C 13 56.6460 0.3660 . 1 . . . . . 58 LYS CA . 5403 1 205 . 1 . 1 58 58 LYS CB C 13 32.7320 2.1390 . 1 . . . . . 58 LYS CB . 5403 1 206 . 1 . 1 58 58 LYS N N 15 123.4940 0.0578 . 1 . . . . . 58 LYS N . 5403 1 207 . 1 . 1 59 59 ALA H H 1 7.9890 0.0153 . 1 . . . . . 59 ALA H . 5403 1 208 . 1 . 1 59 59 ALA C C 13 176.6476 0.0000 . 1 . . . . . 59 ALA C . 5403 1 209 . 1 . 1 59 59 ALA CA C 13 50.8820 0.3660 . 1 . . . . . 59 ALA CA . 5403 1 210 . 1 . 1 59 59 ALA CB C 13 22.7180 2.1390 . 1 . . . . . 59 ALA CB . 5403 1 211 . 1 . 1 59 59 ALA N N 15 129.8820 0.0578 . 1 . . . . . 59 ALA N . 5403 1 212 . 1 . 1 60 60 TYR H H 1 8.9600 0.0153 . 1 . . . . . 60 TYR H . 5403 1 213 . 1 . 1 60 60 TYR C C 13 178.5729 0.0000 . 1 . . . . . 60 TYR C . 5403 1 214 . 1 . 1 60 60 TYR CA C 13 57.1900 0.3660 . 1 . . . . . 60 TYR CA . 5403 1 215 . 1 . 1 60 60 TYR CB C 13 40.7810 2.1390 . 1 . . . . . 60 TYR CB . 5403 1 216 . 1 . 1 60 60 TYR N N 15 124.2830 0.0578 . 1 . . . . . 60 TYR N . 5403 1 217 . 1 . 1 61 61 ILE H H 1 8.4640 0.0153 . 1 . . . . . 61 ILE H . 5403 1 218 . 1 . 1 61 61 ILE C C 13 177.8985 0.0000 . 1 . . . . . 61 ILE C . 5403 1 219 . 1 . 1 61 61 ILE CA C 13 59.5900 0.3660 . 1 . . . . . 61 ILE CA . 5403 1 220 . 1 . 1 61 61 ILE CB C 13 39.4680 2.1390 . 1 . . . . . 61 ILE CB . 5403 1 221 . 1 . 1 61 61 ILE N N 15 129.3000 0.0578 . 1 . . . . . 61 ILE N . 5403 1 222 . 1 . 1 62 62 GLN H H 1 9.0760 0.0153 . 1 . . . . . 62 GLN H . 5403 1 223 . 1 . 1 62 62 GLN C C 13 177.0763 0.0000 . 1 . . . . . 62 GLN C . 5403 1 224 . 1 . 1 62 62 GLN CA C 13 53.7280 0.3660 . 1 . . . . . 62 GLN CA . 5403 1 225 . 1 . 1 62 62 GLN CB C 13 31.6880 2.1390 . 1 . . . . . 62 GLN CB . 5403 1 226 . 1 . 1 62 62 GLN N N 15 124.0200 0.0578 . 1 . . . . . 62 GLN N . 5403 1 227 . 1 . 1 63 63 THR H H 1 8.1780 0.0153 . 1 . . . . . 63 THR H . 5403 1 228 . 1 . 1 63 63 THR CA C 13 59.4730 0.3660 . 1 . . . . . 63 THR CA . 5403 1 229 . 1 . 1 63 63 THR CB C 13 72.0540 2.1390 . 1 . . . . . 63 THR CB . 5403 1 230 . 1 . 1 63 63 THR N N 15 113.0830 0.0578 . 1 . . . . . 63 THR N . 5403 1 231 . 1 . 1 64 64 ARG H H 1 8.5650 0.0153 . 1 . . . . . 64 ARG H . 5403 1 232 . 1 . 1 64 64 ARG CA C 13 57.6180 0.3660 . 1 . . . . . 64 ARG CA . 5403 1 233 . 1 . 1 64 64 ARG N N 15 120.0550 0.0578 . 1 . . . . . 64 ARG N . 5403 1 234 . 1 . 1 65 65 HIS H H 1 7.5180 0.0153 . 1 . . . . . 65 HIS H . 5403 1 235 . 1 . 1 65 65 HIS C C 13 177.0004 0.0000 . 1 . . . . . 65 HIS C . 5403 1 236 . 1 . 1 65 65 HIS CA C 13 54.0290 0.3660 . 1 . . . . . 65 HIS CA . 5403 1 237 . 1 . 1 65 65 HIS CB C 13 30.7050 2.1390 . 1 . . . . . 65 HIS CB . 5403 1 238 . 1 . 1 65 65 HIS N N 15 115.4660 0.0578 . 1 . . . . . 65 HIS N . 5403 1 239 . 1 . 1 66 66 GLY H H 1 7.3100 0.0153 . 1 . . . . . 66 GLY H . 5403 1 240 . 1 . 1 66 66 GLY C C 13 179.5191 0.0000 . 1 . . . . . 66 GLY C . 5403 1 241 . 1 . 1 66 66 GLY CA C 13 43.7450 0.3660 . 1 . . . . . 66 GLY CA . 5403 1 242 . 1 . 1 66 66 GLY N N 15 107.3250 0.0578 . 1 . . . . . 66 GLY N . 5403 1 243 . 1 . 1 67 67 VAL H H 1 8.2200 0.0153 . 1 . . . . . 67 VAL H . 5403 1 244 . 1 . 1 67 67 VAL C C 13 176.8178 0.0000 . 1 . . . . . 67 VAL C . 5403 1 245 . 1 . 1 67 67 VAL CA C 13 59.7510 0.3660 . 1 . . . . . 67 VAL CA . 5403 1 246 . 1 . 1 67 67 VAL CB C 13 33.8680 2.1390 . 1 . . . . . 67 VAL CB . 5403 1 247 . 1 . 1 67 67 VAL N N 15 121.7460 0.0578 . 1 . . . . . 67 VAL N . 5403 1 248 . 1 . 1 68 68 ILE H H 1 8.9680 0.0153 . 1 . . . . . 68 ILE H . 5403 1 249 . 1 . 1 68 68 ILE C C 13 181.0301 0.0000 . 1 . . . . . 68 ILE C . 5403 1 250 . 1 . 1 68 68 ILE CA C 13 59.0220 0.3660 . 1 . . . . . 68 ILE CA . 5403 1 251 . 1 . 1 68 68 ILE CB C 13 41.7330 2.1390 . 1 . . . . . 68 ILE CB . 5403 1 252 . 1 . 1 68 68 ILE N N 15 126.9810 0.0578 . 1 . . . . . 68 ILE N . 5403 1 253 . 1 . 1 69 69 GLU H H 1 7.7110 0.0153 . 1 . . . . . 69 GLU H . 5403 1 254 . 1 . 1 69 69 GLU CA C 13 53.9410 0.3660 . 1 . . . . . 69 GLU CA . 5403 1 255 . 1 . 1 69 69 GLU CB C 13 31.9340 2.1390 . 1 . . . . . 69 GLU CB . 5403 1 256 . 1 . 1 69 69 GLU N N 15 123.4810 0.0578 . 1 . . . . . 69 GLU N . 5403 1 257 . 1 . 1 70 70 SER H H 1 8.8030 0.0153 . 1 . . . . . 70 SER H . 5403 1 258 . 1 . 1 70 70 SER CA C 13 57.1000 0.3660 . 1 . . . . . 70 SER CA . 5403 1 259 . 1 . 1 70 70 SER CB C 13 64.6200 2.1390 . 1 . . . . . 70 SER CB . 5403 1 260 . 1 . 1 70 70 SER N N 15 119.5860 0.0578 . 1 . . . . . 70 SER N . 5403 1 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_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5403 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 TROSY 1 $sample_1 . 5403 2 2 TROSY-HNCA 1 $sample_1 . 5403 2 3 TROSY-HN(CO)CA 1 $sample_1 . 5403 2 4 TROSY-HNCACB 1 $sample_1 . 5403 2 5 TROSY-HNCO 1 $sample_1 . 5403 2 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 . 2 . 2 1 1 TRP NE1 N 15 130.017 0.0578 . 1 . . . . . . . . . 5403 2 2 . 2 . 2 1 1 TRP HE1 H 1 10.333 0.0153 . 1 . . . . . . . . . 5403 2 stop_ save_