################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25094 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 1H-15N HSQC' . . . 25094 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 3 3 HIS H H 1 8.927 0.000 . 1 . . . . 3 HIS H . 25094 1 2 . 1 1 3 3 HIS N N 15 125.158 0.000 . 1 . . . . 3 HIS N . 25094 1 3 . 1 1 4 4 SER H H 1 8.934 0.000 . 1 . . . . 4 SER H . 25094 1 4 . 1 1 4 4 SER N N 15 117.579 0.000 . 1 . . . . 4 SER N . 25094 1 5 . 1 1 5 5 SER H H 1 8.732 0.000 . 1 . . . . 5 SER H . 25094 1 6 . 1 1 5 5 SER N N 15 114.722 0.000 . 1 . . . . 5 SER N . 25094 1 7 . 1 1 6 6 VAL H H 1 8.396 0.000 . 1 . . . . 6 VAL H . 25094 1 8 . 1 1 6 6 VAL N N 15 120.703 0.000 . 1 . . . . 6 VAL N . 25094 1 9 . 1 1 7 7 LYS H H 1 9.171 0.000 . 1 . . . . 7 LYS H . 25094 1 10 . 1 1 7 7 LYS N N 15 128.778 0.000 . 1 . . . . 7 LYS N . 25094 1 11 . 1 1 8 8 ARG H H 1 8.626 0.000 . 1 . . . . 8 ARG H . 25094 1 12 . 1 1 8 8 ARG HE H 1 7.373 0.000 . 1 . . . . 8 ARG HE . 25094 1 13 . 1 1 8 8 ARG N N 15 120.405 0.000 . 1 . . . . 8 ARG N . 25094 1 14 . 1 1 8 8 ARG NE N 15 124.320 0.000 . 1 . . . . 8 ARG NE . 25094 1 15 . 1 1 9 9 TRP H H 1 8.939 0.000 . 1 . . . . 9 TRP H . 25094 1 16 . 1 1 9 9 TRP HE1 H 1 9.938 0.000 . 1 . . . . 9 TRP HE1 . 25094 1 17 . 1 1 9 9 TRP N N 15 131.646 0.000 . 1 . . . . 9 TRP N . 25094 1 18 . 1 1 9 9 TRP NE1 N 15 126.277 0.000 . 1 . . . . 9 TRP NE1 . 25094 1 19 . 1 1 12 12 SER H H 1 7.808 0.000 . 1 . . . . 12 SER H . 25094 1 20 . 1 1 12 12 SER N N 15 115.759 0.000 . 1 . . . . 12 SER N . 25094 1 21 . 1 1 14 14 ALA H H 1 9.375 0.000 . 1 . . . . 14 ALA H . 25094 1 22 . 1 1 14 14 ALA N N 15 123.672 0.000 . 1 . . . . 14 ALA N . 25094 1 23 . 1 1 15 15 VAL H H 1 8.562 0.000 . 1 . . . . 15 VAL H . 25094 1 24 . 1 1 15 15 VAL N N 15 115.954 0.000 . 1 . . . . 15 VAL N . 25094 1 25 . 1 1 16 16 ARG H H 1 8.813 0.000 . 1 . . . . 16 ARG H . 25094 1 26 . 1 1 16 16 ARG N N 15 125.929 0.000 . 1 . . . . 16 ARG N . 25094 1 27 . 1 1 17 17 ILE H H 1 8.049 0.000 . 1 . . . . 17 ILE H . 25094 1 28 . 1 1 17 17 ILE N N 15 123.482 0.000 . 1 . . . . 17 ILE N . 25094 1 29 . 1 1 19 19 ALA H H 1 9.525 0.000 . 1 . . . . 19 ALA H . 25094 1 30 . 1 1 19 19 ALA N N 15 129.867 0.000 . 1 . . . . 19 ALA N . 25094 1 31 . 1 1 20 20 THR H H 1 8.520 0.000 . 1 . . . . 20 THR H . 25094 1 32 . 1 1 20 20 THR N N 15 108.820 0.000 . 1 . . . . 20 THR N . 25094 1 33 . 1 1 21 21 LEU H H 1 7.158 0.000 . 1 . . . . 21 LEU H . 25094 1 34 . 1 1 21 21 LEU N N 15 121.456 0.000 . 1 . . . . 21 LEU N . 25094 1 35 . 1 1 22 22 MET H H 1 7.626 0.000 . 1 . . . . 22 MET H . 25094 1 36 . 1 1 22 22 MET N N 15 117.951 0.000 . 1 . . . . 22 MET N . 25094 1 37 . 1 1 23 23 GLN H H 1 8.014 0.000 . 1 . . . . 23 GLN H . 25094 1 38 . 1 1 23 23 GLN HE21 H 1 6.846 0.000 . 1 . . . . 23 GLN HE21 . 25094 1 39 . 1 1 23 23 GLN HE22 H 1 7.488 0.000 . 1 . . . . 23 GLN HE22 . 25094 1 40 . 1 1 23 23 GLN N N 15 116.371 0.000 . 1 . . . . 23 GLN N . 25094 1 41 . 1 1 23 23 GLN NE2 N 15 111.553 0.011 . 1 . . . . 23 GLN NE2 . 25094 1 42 . 1 1 24 24 ALA H H 1 7.732 0.000 . 1 . . . . 24 ALA H . 25094 1 43 . 1 1 24 24 ALA N N 15 122.262 0.000 . 1 . . . . 24 ALA N . 25094 1 44 . 1 1 25 25 LEU H H 1 7.538 0.000 . 1 . . . . 25 LEU H . 25094 1 45 . 1 1 25 25 LEU N N 15 115.423 0.000 . 1 . . . . 25 LEU N . 25094 1 46 . 1 1 26 26 ASN H H 1 8.005 0.000 . 1 . . . . 26 ASN H . 25094 1 47 . 1 1 26 26 ASN HD21 H 1 6.806 0.000 . 1 . . . . 26 ASN HD21 . 25094 1 48 . 1 1 26 26 ASN HD22 H 1 7.529 0.000 . 1 . . . . 26 ASN HD22 . 25094 1 49 . 1 1 26 26 ASN N N 15 118.484 0.000 . 1 . . . . 26 ASN N . 25094 1 50 . 1 1 26 26 ASN ND2 N 15 112.048 0.005 . 1 . . . . 26 ASN ND2 . 25094 1 51 . 1 1 27 27 LEU H H 1 8.027 0.000 . 1 . . . . 27 LEU H . 25094 1 52 . 1 1 27 27 LEU N N 15 119.469 0.000 . 1 . . . . 27 LEU N . 25094 1 53 . 1 1 28 28 ASN H H 1 8.831 0.000 . 1 . . . . 28 ASN H . 25094 1 54 . 1 1 28 28 ASN HD21 H 1 6.873 0.000 . 1 . . . . 28 ASN HD21 . 25094 1 55 . 1 1 28 28 ASN HD22 H 1 8.053 0.000 . 1 . . . . 28 ASN HD22 . 25094 1 56 . 1 1 28 28 ASN N N 15 121.010 0.000 . 1 . . . . 28 ASN N . 25094 1 57 . 1 1 28 28 ASN ND2 N 15 116.124 0.021 . 1 . . . . 28 ASN ND2 . 25094 1 58 . 1 1 29 29 ILE H H 1 8.396 0.000 . 1 . . . . 29 ILE H . 25094 1 59 . 1 1 29 29 ILE N N 15 120.059 0.000 . 1 . . . . 29 ILE N . 25094 1 60 . 1 1 30 30 ASP H H 1 9.170 0.000 . 1 . . . . 30 ASP H . 25094 1 61 . 1 1 30 30 ASP N N 15 121.856 0.000 . 1 . . . . 30 ASP N . 25094 1 62 . 1 1 31 31 ASP H H 1 8.042 0.000 . 1 . . . . 31 ASP H . 25094 1 63 . 1 1 31 31 ASP N N 15 122.463 0.000 . 1 . . . . 31 ASP N . 25094 1 64 . 1 1 32 32 GLU H H 1 8.693 0.000 . 1 . . . . 32 GLU H . 25094 1 65 . 1 1 32 32 GLU N N 15 120.920 0.000 . 1 . . . . 32 GLU N . 25094 1 66 . 1 1 33 33 VAL H H 1 8.548 0.000 . 1 . . . . 33 VAL H . 25094 1 67 . 1 1 33 33 VAL N N 15 114.779 0.000 . 1 . . . . 33 VAL N . 25094 1 68 . 1 1 34 34 LYS H H 1 9.002 0.000 . 1 . . . . 34 LYS H . 25094 1 69 . 1 1 34 34 LYS N N 15 121.439 0.000 . 1 . . . . 34 LYS N . 25094 1 70 . 1 1 35 35 ILE H H 1 8.794 0.000 . 1 . . . . 35 ILE H . 25094 1 71 . 1 1 35 35 ILE N N 15 122.944 0.000 . 1 . . . . 35 ILE N . 25094 1 72 . 1 1 36 36 ASP H H 1 9.001 0.000 . 1 . . . . 36 ASP H . 25094 1 73 . 1 1 36 36 ASP N N 15 126.331 0.000 . 1 . . . . 36 ASP N . 25094 1 74 . 1 1 37 37 LEU H H 1 8.581 0.000 . 1 . . . . 37 LEU H . 25094 1 75 . 1 1 37 37 LEU N N 15 123.820 0.000 . 1 . . . . 37 LEU N . 25094 1 76 . 1 1 38 38 VAL H H 1 8.776 0.000 . 1 . . . . 38 VAL H . 25094 1 77 . 1 1 38 38 VAL N N 15 126.670 0.000 . 1 . . . . 38 VAL N . 25094 1 78 . 1 1 39 39 ASP H H 1 9.180 0.000 . 1 . . . . 39 ASP H . 25094 1 79 . 1 1 39 39 ASP N N 15 127.373 0.000 . 1 . . . . 39 ASP N . 25094 1 80 . 1 1 40 40 GLY H H 1 8.459 0.000 . 1 . . . . 40 GLY H . 25094 1 81 . 1 1 40 40 GLY N N 15 103.166 0.000 . 1 . . . . 40 GLY N . 25094 1 82 . 1 1 41 41 LYS H H 1 7.706 0.000 . 1 . . . . 41 LYS H . 25094 1 83 . 1 1 41 41 LYS N N 15 117.159 0.000 . 1 . . . . 41 LYS N . 25094 1 84 . 1 1 42 42 LEU H H 1 8.674 0.000 . 1 . . . . 42 LEU H . 25094 1 85 . 1 1 42 42 LEU N N 15 120.161 0.000 . 1 . . . . 42 LEU N . 25094 1 86 . 1 1 43 43 ILE H H 1 9.037 0.000 . 1 . . . . 43 ILE H . 25094 1 87 . 1 1 43 43 ILE N N 15 123.976 0.000 . 1 . . . . 43 ILE N . 25094 1 88 . 1 1 44 44 ILE H H 1 9.462 0.000 . 1 . . . . 44 ILE H . 25094 1 89 . 1 1 44 44 ILE N N 15 126.950 0.000 . 1 . . . . 44 ILE N . 25094 1 90 . 1 1 45 45 GLU H H 1 9.047 0.000 . 1 . . . . 45 GLU H . 25094 1 91 . 1 1 45 45 GLU N N 15 127.274 0.000 . 1 . . . . 45 GLU N . 25094 1 92 . 1 1 47 47 VAL H H 1 8.012 0.000 . 1 . . . . 47 VAL H . 25094 1 93 . 1 1 47 47 VAL N N 15 124.130 0.000 . 1 . . . . 47 VAL N . 25094 1 94 . 1 1 48 48 ARG H H 1 8.698 0.000 . 1 . . . . 48 ARG H . 25094 1 95 . 1 1 48 48 ARG HE H 1 7.315 0.000 . 1 . . . . 48 ARG HE . 25094 1 96 . 1 1 48 48 ARG N N 15 126.710 0.000 . 1 . . . . 48 ARG N . 25094 1 97 . 1 1 48 48 ARG NE N 15 125.101 0.000 . 1 . . . . 48 ARG NE . 25094 1 98 . 1 1 49 49 LYS H H 1 8.531 0.000 . 1 . . . . 49 LYS H . 25094 1 99 . 1 1 49 49 LYS N N 15 124.054 0.000 . 1 . . . . 49 LYS N . 25094 1 100 . 1 1 50 50 GLU H H 1 8.448 0.000 . 1 . . . . 50 GLU H . 25094 1 101 . 1 1 50 50 GLU N N 15 123.633 0.000 . 1 . . . . 50 GLU N . 25094 1 102 . 1 1 52 52 VAL H H 1 8.133 0.000 . 1 . . . . 52 VAL H . 25094 1 103 . 1 1 52 52 VAL N N 15 120.096 0.000 . 1 . . . . 52 VAL N . 25094 1 104 . 1 1 53 53 PHE H H 1 8.357 0.000 . 1 . . . . 53 PHE H . 25094 1 105 . 1 1 53 53 PHE N N 15 124.404 0.000 . 1 . . . . 53 PHE N . 25094 1 106 . 1 1 54 54 THR H H 1 8.158 0.000 . 1 . . . . 54 THR H . 25094 1 107 . 1 1 54 54 THR N N 15 117.157 0.000 . 1 . . . . 54 THR N . 25094 1 108 . 1 1 55 55 LEU H H 1 8.237 0.000 . 1 . . . . 55 LEU H . 25094 1 109 . 1 1 55 55 LEU N N 15 124.541 0.000 . 1 . . . . 55 LEU N . 25094 1 110 . 1 1 56 56 ALA H H 1 8.242 0.000 . 1 . . . . 56 ALA H . 25094 1 111 . 1 1 56 56 ALA N N 15 124.782 0.000 . 1 . . . . 56 ALA N . 25094 1 112 . 1 1 57 57 GLU H H 1 8.243 0.000 . 1 . . . . 57 GLU H . 25094 1 113 . 1 1 57 57 GLU N N 15 119.220 0.000 . 1 . . . . 57 GLU N . 25094 1 114 . 1 1 58 58 LEU H H 1 8.167 0.000 . 1 . . . . 58 LEU H . 25094 1 115 . 1 1 58 58 LEU N N 15 123.130 0.000 . 1 . . . . 58 LEU N . 25094 1 116 . 1 1 59 59 VAL H H 1 8.072 0.000 . 1 . . . . 59 VAL H . 25094 1 117 . 1 1 59 59 VAL N N 15 120.871 0.000 . 1 . . . . 59 VAL N . 25094 1 118 . 1 1 60 60 ASN H H 1 8.379 0.000 . 1 . . . . 60 ASN H . 25094 1 119 . 1 1 60 60 ASN N N 15 121.986 0.000 . 1 . . . . 60 ASN N . 25094 1 120 . 1 1 61 61 ASP H H 1 8.308 0.000 . 1 . . . . 61 ASP H . 25094 1 121 . 1 1 61 61 ASP N N 15 120.593 0.000 . 1 . . . . 61 ASP N . 25094 1 122 . 1 1 62 62 ILE H H 1 8.232 0.000 . 1 . . . . 62 ILE H . 25094 1 123 . 1 1 62 62 ILE N N 15 120.511 0.000 . 1 . . . . 62 ILE N . 25094 1 124 . 1 1 63 63 THR H H 1 8.336 0.000 . 1 . . . . 63 THR H . 25094 1 125 . 1 1 63 63 THR N N 15 121.369 0.000 . 1 . . . . 63 THR N . 25094 1 126 . 1 1 65 65 GLU H H 1 8.536 0.000 . 1 . . . . 65 GLU H . 25094 1 127 . 1 1 65 65 GLU N N 15 120.430 0.000 . 1 . . . . 65 GLU N . 25094 1 128 . 1 1 66 66 ASN H H 1 8.356 0.000 . 1 . . . . 66 ASN H . 25094 1 129 . 1 1 66 66 ASN N N 15 119.001 0.000 . 1 . . . . 66 ASN N . 25094 1 130 . 1 1 67 67 LEU H H 1 8.095 0.000 . 1 . . . . 67 LEU H . 25094 1 131 . 1 1 67 67 LEU N N 15 122.453 0.000 . 1 . . . . 67 LEU N . 25094 1 132 . 1 1 68 68 HIS H H 1 8.324 0.000 . 1 . . . . 68 HIS H . 25094 1 133 . 1 1 68 68 HIS N N 15 118.825 0.000 . 1 . . . . 68 HIS N . 25094 1 134 . 1 1 69 69 GLU H H 1 8.308 0.000 . 1 . . . . 69 GLU H . 25094 1 135 . 1 1 69 69 GLU N N 15 120.894 0.000 . 1 . . . . 69 GLU N . 25094 1 136 . 1 1 70 70 ASN H H 1 8.506 0.000 . 1 . . . . 70 ASN H . 25094 1 137 . 1 1 70 70 ASN N N 15 119.905 0.000 . 1 . . . . 70 ASN N . 25094 1 138 . 1 1 71 71 ILE H H 1 8.019 0.000 . 1 . . . . 71 ILE H . 25094 1 139 . 1 1 71 71 ILE N N 15 121.297 0.000 . 1 . . . . 71 ILE N . 25094 1 140 . 1 1 72 72 ASP H H 1 8.262 0.000 . 1 . . . . 72 ASP H . 25094 1 141 . 1 1 72 72 ASP N N 15 123.855 0.000 . 1 . . . . 72 ASP N . 25094 1 142 . 1 1 73 73 TRP H H 1 8.111 0.000 . 1 . . . . 73 TRP H . 25094 1 143 . 1 1 73 73 TRP N N 15 122.918 0.000 . 1 . . . . 73 TRP N . 25094 1 144 . 1 1 74 74 GLY H H 1 8.246 0.000 . 1 . . . . 74 GLY H . 25094 1 145 . 1 1 74 74 GLY N N 15 110.004 0.000 . 1 . . . . 74 GLY N . 25094 1 146 . 1 1 75 75 GLU H H 1 8.115 0.000 . 1 . . . . 75 GLU H . 25094 1 147 . 1 1 75 75 GLU N N 15 121.889 0.000 . 1 . . . . 75 GLU N . 25094 1 148 . 1 1 77 77 LYS H H 1 8.450 0.000 . 1 . . . . 77 LYS H . 25094 1 149 . 1 1 77 77 LYS N N 15 121.662 0.000 . 1 . . . . 77 LYS N . 25094 1 150 . 1 1 78 78 ASP H H 1 8.234 0.000 . 1 . . . . 78 ASP H . 25094 1 151 . 1 1 78 78 ASP N N 15 120.069 0.000 . 1 . . . . 78 ASP N . 25094 1 152 . 1 1 79 79 LYS H H 1 8.090 0.000 . 1 . . . . 79 LYS H . 25094 1 153 . 1 1 79 79 LYS N N 15 120.674 0.000 . 1 . . . . 79 LYS N . 25094 1 154 . 1 1 80 80 GLU H H 1 8.380 0.000 . 1 . . . . 80 GLU H . 25094 1 155 . 1 1 80 80 GLU N N 15 122.215 0.000 . 1 . . . . 80 GLU N . 25094 1 156 . 1 1 81 81 VAL H H 1 7.889 0.000 . 1 . . . . 81 VAL H . 25094 1 157 . 1 1 81 81 VAL N N 15 120.367 0.000 . 1 . . . . 81 VAL N . 25094 1 158 . 1 1 82 82 TRP H H 1 7.721 0.000 . 1 . . . . 82 TRP H . 25094 1 159 . 1 1 82 82 TRP N N 15 130.144 0.000 . 1 . . . . 82 TRP N . 25094 1 stop_ save_