###################################
# 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 30362
_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 $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 1H-15N HSQC' . . . 30362 1
2 '2D 1H-1H NOESY' . . . 30362 1
3 '2D 1H-1H TOCSY' . . . 30362 1
4 '2D 1H-1H NOESY' . . . 30362 1
5 '2D 1H-1H TOCSY' . . . 30362 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.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 HIS H H 1 9.105 0.01 . . . . . . A 1 HIS H1 . 30362 1
2 . 1 1 1 1 HIS HA H 1 4.815 0.00 . . . . . . A 1 HIS HA . 30362 1
3 . 1 1 1 1 HIS HB2 H 1 3.222 0.00 . . . . . . A 1 HIS HB2 . 30362 1
4 . 1 1 1 1 HIS HB3 H 1 3.222 0.00 . . . . . . A 1 HIS HB3 . 30362 1
5 . 1 1 1 1 HIS HD2 H 1 7.347 0.01 . . . . . . A 1 HIS HD2 . 30362 1
6 . 1 1 1 1 HIS HE1 H 1 8.647 0.01 . . . . . . A 1 HIS HE1 . 30362 1
7 . 1 1 1 1 HIS N N 15 127.469 0.00 . . . . . . A 1 HIS N . 30362 1
8 . 1 1 2 2 DPR HA H 1 4.497 0.00 . . . . . . A 2 DPR HA . 30362 1
9 . 1 1 2 2 DPR HB3 H 1 2.086 0.00 . . . . . . A 2 DPR HB3 . 30362 1
10 . 1 1 2 2 DPR HD2 H 1 3.968 0.00 . . . . . . A 2 DPR HD2 . 30362 1
11 . 1 1 2 2 DPR HD3 H 1 3.316 0.00 . . . . . . A 2 DPR HD3 . 30362 1
12 . 1 1 2 2 DPR HG3 H 1 1.970 0.00 . . . . . . A 2 DPR HG3 . 30362 1
13 . 1 1 3 3 DVA H H 1 7.421 0.01 . . . . . . A 3 DVA H . 30362 1
14 . 1 1 3 3 DVA N N 15 119.092 0.00 . . . . . . A 3 DVA N . 30362 1
15 . 1 1 3 3 DVA HA H 1 4.309 0.00 . . . . . . A 3 DVA HA . 30362 1
16 . 1 1 3 3 DVA HB H 1 2.159 0.00 . . . . . . A 3 DVA HB . 30362 1
17 . 1 1 3 3 DVA HG11 H 1 1.025 0.00 . . . . . . A 3 DVA HG11 . 30362 1
18 . 1 1 3 3 DVA HG21 H 1 0.973 0.00 . . . . . . A 3 DVA HG21 . 30362 1
19 . 1 1 4 4 CYS H H 1 8.714 0.01 . . . . . . A 4 CYS H . 30362 1
20 . 1 1 4 4 CYS HA H 1 5.270 0.00 . . . . . . A 4 CYS HA . 30362 1
21 . 1 1 4 4 CYS HB2 H 1 2.691 0.00 . . . . . . A 4 CYS HB2 . 30362 1
22 . 1 1 4 4 CYS HB3 H 1 2.897 0.00 . . . . . . A 4 CYS HB3 . 30362 1
23 . 1 1 4 4 CYS N N 15 123.218 0.00 . . . . . . A 4 CYS N . 30362 1
24 . 1 1 5 5 ILE H H 1 8.799 0.01 . . . . . . A 5 ILE H . 30362 1
25 . 1 1 5 5 ILE HA H 1 4.396 0.00 . . . . . . A 5 ILE HA . 30362 1
26 . 1 1 5 5 ILE HB H 1 1.777 0.00 . . . . . . A 5 ILE HB . 30362 1
27 . 1 1 5 5 ILE HG12 H 1 1.216 0.00 . . . . . . A 5 ILE HG12 . 30362 1
28 . 1 1 5 5 ILE HG13 H 1 1.605 0.00 . . . . . . A 5 ILE HG13 . 30362 1
29 . 1 1 5 5 ILE HG21 H 1 1.017 0.00 . . . . . . A 5 ILE HG21 . 30362 1
30 . 1 1 5 5 ILE HG22 H 1 1.017 0.00 . . . . . . A 5 ILE HG22 . 30362 1
31 . 1 1 5 5 ILE HG23 H 1 1.017 0.00 . . . . . . A 5 ILE HG23 . 30362 1
32 . 1 1 5 5 ILE HD11 H 1 0.821 0.00 . . . . . . A 5 ILE HD11 . 30362 1
33 . 1 1 5 5 ILE HD12 H 1 0.821 0.00 . . . . . . A 5 ILE HD12 . 30362 1
34 . 1 1 5 5 ILE HD13 H 1 0.821 0.00 . . . . . . A 5 ILE HD13 . 30362 1
35 . 1 1 5 5 ILE N N 15 127.041 0.00 . . . . . . A 5 ILE N . 30362 1
36 . 1 1 6 6 PRO HA H 1 4.596 0.00 . . . . . . A 6 PRO HA . 30362 1
37 . 1 1 6 6 PRO HB2 H 1 2.132 0.00 . . . . . . A 6 PRO HB2 . 30362 1
38 . 1 1 6 6 PRO HB3 H 1 2.361 0.00 . . . . . . A 6 PRO HB3 . 30362 1
39 . 1 1 6 6 PRO HG2 H 1 1.897 0.00 . . . . . . A 6 PRO HG2 . 30362 1
40 . 1 1 6 6 PRO HG3 H 1 2.027 0.00 . . . . . . A 6 PRO HG3 . 30362 1
41 . 1 1 6 6 PRO HD2 H 1 3.745 0.00 . . . . . . A 6 PRO HD2 . 30362 1
42 . 1 1 6 6 PRO HD3 H 1 4.143 0.00 . . . . . . A 6 PRO HD3 . 30362 1
43 . 1 1 7 7 DPR HA H 1 4.779 0.00 . . . . . . A 7 DPR HA . 30362 1
44 . 1 1 7 7 DPR HB2 H 1 2.277 0.00 . . . . . . A 7 DPR HB2 . 30362 1
45 . 1 1 7 7 DPR HB3 H 1 2.023 0.00 . . . . . . A 7 DPR HB3 . 30362 1
46 . 1 1 7 7 DPR HD2 H 1 3.793 0.00 . . . . . . A 7 DPR HD2 . 30362 1
47 . 1 1 7 7 DPR HD3 H 1 3.616 0.00 . . . . . . A 7 DPR HD3 . 30362 1
48 . 1 1 7 7 DPR HG2 H 1 2.109 0.00 . . . . . . A 7 DPR HG2 . 30362 1
49 . 1 1 7 7 DPR HG3 H 1 1.851 0.00 . . . . . . A 7 DPR HG3 . 30362 1
50 . 1 1 8 8 GLU H H 1 8.105 0.01 . . . . . . A 8 GLU H . 30362 1
51 . 1 1 8 8 GLU HA H 1 4.248 0.00 . . . . . . A 8 GLU HA . 30362 1
52 . 1 1 8 8 GLU HB2 H 1 1.813 0.00 . . . . . . A 8 GLU HB2 . 30362 1
53 . 1 1 8 8 GLU HB3 H 1 2.095 0.00 . . . . . . A 8 GLU HB3 . 30362 1
54 . 1 1 8 8 GLU HG2 H 1 2.492 0.00 . . . . . . A 8 GLU HG2 . 30362 1
55 . 1 1 8 8 GLU HG3 H 1 2.492 0.00 . . . . . . A 8 GLU HG3 . 30362 1
56 . 1 1 8 8 GLU N N 15 121.139 0.00 . . . . . . A 8 GLU N . 30362 1
57 . 1 1 9 9 DLY H H 1 8.072 0.01 . . . . . . A 9 DLY H . 30362 1
58 . 1 1 9 9 DLY N N 15 117.188 0.00 . . . . . . A 9 DLY N . 30362 1
59 . 1 1 9 9 DLY HA H 1 4.164 0.02 . . . . . . A 9 DLY HA . 30362 1
60 . 1 1 9 9 DLY HB2 H 1 1.795 0.00 . . . . . . A 9 DLY HB3 . 30362 1
61 . 1 1 9 9 DLY HD3 H 1 1.440 0.00 . . . . . . A 9 DLY HD3 . 30362 1
62 . 1 1 9 9 DLY HE3 H 1 2.969 0.00 . . . . . . A 9 DLY HE3 . 30362 1
63 . 1 1 9 9 DLY HG3 H 1 1.665 0.00 . . . . . . A 9 DLY HG3 . 30362 1
64 . 1 1 10 10 VAL H H 1 6.973 0.00 . . . . . . A 10 VAL H . 30362 1
65 . 1 1 10 10 VAL HA H 1 4.219 0.00 . . . . . . A 10 VAL HA . 30362 1
66 . 1 1 10 10 VAL HB H 1 1.866 0.00 . . . . . . A 10 VAL HB . 30362 1
67 . 1 1 10 10 VAL HG11 H 1 0.908 0.00 . . . . . . A 10 VAL HG11 . 30362 1
68 . 1 1 10 10 VAL HG12 H 1 0.908 0.00 . . . . . . A 10 VAL HG12 . 30362 1
69 . 1 1 10 10 VAL HG13 H 1 0.908 0.00 . . . . . . A 10 VAL HG13 . 30362 1
70 . 1 1 10 10 VAL HG21 H 1 0.908 0.00 . . . . . . A 10 VAL HG21 . 30362 1
71 . 1 1 10 10 VAL HG22 H 1 0.908 0.00 . . . . . . A 10 VAL HG22 . 30362 1
72 . 1 1 10 10 VAL HG23 H 1 0.908 0.00 . . . . . . A 10 VAL HG23 . 30362 1
73 . 1 1 11 11 CYS H H 1 8.869 0.01 . . . . . . A 11 CYS H . 30362 1
74 . 1 1 11 11 CYS HA H 1 5.431 0.00 . . . . . . A 11 CYS HA . 30362 1
75 . 1 1 11 11 CYS HB2 H 1 2.981 0.00 . . . . . . A 11 CYS HB2 . 30362 1
76 . 1 1 11 11 CYS HB3 H 1 3.097 0.00 . . . . . . A 11 CYS HB3 . 30362 1
77 . 1 1 11 11 CYS N N 15 126.041 0.00 . . . . . . A 11 CYS N . 30362 1
78 . 1 1 12 12 DGL H H 1 8.596 0.01 . . . . . . A 12 DGL H . 30362 1
79 . 1 1 12 12 DGL N N 15 120.758 0.00 . . . . . . A 12 DGL N . 30362 1
80 . 1 1 12 12 DGL HA H 1 4.508 0.00 . . . . . . A 12 DGL HA . 30362 1
81 . 1 1 12 12 DGL HB2 H 1 2.058 0.00 . . . . . . A 12 DGL HB2 . 30362 1
82 . 1 1 12 12 DGL HB3 H 1 1.957 0.00 . . . . . . A 12 DGL HB3 . 30362 1
83 . 1 1 12 12 DGL HG3 H 1 2.375 0.00 . . . . . . A 12 DGL HG3 . 30362 1
stop_
save_