###################################
# 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 25749
_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-1H TOCSY' . . . 25749 1
2 '2D 1H-1H trNOESY' . . . 25749 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 2 2 VAL HB H 1 2.009 0.008 . 1 . . . A 2 VAL HB . 25749 1
2 . 1 1 2 2 VAL HG11 H 1 0.976 -0.035 . 2 . . . A 2 VAL HG11 . 25749 1
3 . 1 1 2 2 VAL HG12 H 1 0.976 -0.035 . 2 . . . A 2 VAL HG12 . 25749 1
4 . 1 1 2 2 VAL HG13 H 1 0.976 -0.035 . 2 . . . A 2 VAL HG13 . 25749 1
5 . 1 1 2 2 VAL HG21 H 1 0.976 -0.035 . 2 . . . A 2 VAL HG21 . 25749 1
6 . 1 1 2 2 VAL HG22 H 1 0.976 -0.035 . 2 . . . A 2 VAL HG22 . 25749 1
7 . 1 1 2 2 VAL HG23 H 1 0.976 -0.035 . 2 . . . A 2 VAL HG23 . 25749 1
8 . 1 1 3 3 ALA H H 1 8.343 -0.035 . 1 . . . A 3 ALA H . 25749 1
9 . 1 1 3 3 ALA HA H 1 4.276 0.002 . 1 . . . A 3 ALA HA . 25749 1
10 . 1 1 3 3 ALA HB1 H 1 1.390 0.008 . 1 . . . A 3 ALA HB1 . 25749 1
11 . 1 1 3 3 ALA HB2 H 1 1.390 0.008 . 1 . . . A 3 ALA HB2 . 25749 1
12 . 1 1 3 3 ALA HB3 H 1 1.390 0.008 . 1 . . . A 3 ALA HB3 . 25749 1
13 . 1 1 4 4 ARG H H 1 8.243 0.003 . 1 . . . A 4 ARG H . 25749 1
14 . 1 1 4 4 ARG HA H 1 4.263 0.011 . 1 . . . A 4 ARG HA . 25749 1
15 . 1 1 4 4 ARG HB2 H 1 1.609 -0.005 . 2 . . . A 4 ARG HB2 . 25749 1
16 . 1 1 4 4 ARG HB3 H 1 1.609 -0.005 . 2 . . . A 4 ARG HB3 . 25749 1
17 . 1 1 4 4 ARG HG2 H 1 1.721 -0.002 . 2 . . . A 4 ARG HG2 . 25749 1
18 . 1 1 4 4 ARG HG3 H 1 1.721 -0.002 . 2 . . . A 4 ARG HG3 . 25749 1
19 . 1 1 4 4 ARG HD2 H 1 3.164 +0.007 . 2 . . . A 4 ARG HD2 . 25749 1
20 . 1 1 4 4 ARG HD3 H 1 3.164 +0.007 . 2 . . . A 4 ARG HD3 . 25749 1
21 . 1 1 5 5 GLY H H 1 8.369 0.007 . 1 . . . A 5 GLY H . 25749 1
22 . 1 1 5 5 GLY HA2 H 1 3.922 -0.019 . 2 . . . A 5 GLY HA2 . 25749 1
23 . 1 1 5 5 GLY HA3 H 1 3.922 -0.019 . 2 . . . A 5 GLY HA3 . 25749 1
24 . 1 1 6 6 TRP H H 1 7.941 -0.006 . 1 . . . A 6 TRP H . 25749 1
25 . 1 1 6 6 TRP HA H 1 4.618 0.003 . 1 . . . A 6 TRP HA . 25749 1
26 . 1 1 6 6 TRP HB2 H 1 3.265 0.002 . 2 . . . A 6 TRP HB2 . 25749 1
27 . 1 1 6 6 TRP HB3 H 1 3.265 0.002 . 2 . . . A 6 TRP HB3 . 25749 1
28 . 1 1 6 6 TRP HD1 H 1 7.238 0.010 . 1 . . . A 6 TRP HD1 . 25749 1
29 . 1 1 6 6 TRP HE1 H 1 10.13 0.018 . 1 . . . A 6 TRP HE1 . 25749 1
30 . 1 1 6 6 TRP HE3 H 1 7.577 0.004 . 1 . . . A 6 TRP HE3 . 25749 1
31 . 1 1 6 6 TRP HZ2 H 1 7.561 0.008 . 1 . . . A 6 TRP HZ2 . 25749 1
32 . 1 1 6 6 TRP HZ3 H 1 7.140 0.002 . 1 . . . A 6 TRP HZ3 . 25749 1
33 . 1 1 6 6 TRP HH2 H 1 7.218 0.012 . 1 . . . A 6 TRP HH2 . 25749 1
34 . 1 1 7 7 LYS H H 1 8.024 0.002 . 1 . . . A 7 LYS H . 25749 1
35 . 1 1 7 7 LYS HA H 1 4.160 0.004 . 1 . . . A 7 LYS HA . 25749 1
36 . 1 1 7 7 LYS HB2 H 1 1.689 0.001 . 2 . . . A 7 LYS HB2 . 25749 1
37 . 1 1 7 7 LYS HB3 H 1 1.689 0.001 . 2 . . . A 7 LYS HB3 . 25749 1
38 . 1 1 7 7 LYS HG2 H 1 1.229 -0.003 . 2 . . . A 7 LYS HG2 . 25749 1
39 . 1 1 7 7 LYS HG3 H 1 1.229 -0.003 . 2 . . . A 7 LYS HG3 . 25749 1
40 . 1 1 7 7 LYS HD2 H 1 1.576 -0.004 . 2 . . . A 7 LYS HD2 . 25749 1
41 . 1 1 7 7 LYS HD3 H 1 1.576 -0.004 . 2 . . . A 7 LYS HD3 . 25749 1
42 . 1 1 8 8 ARG H H 1 8.072 0.004 . 1 . . . A 8 ARG H . 25749 1
43 . 1 1 8 8 ARG HA H 1 4.129 0.005 . 1 . . . A 8 ARG HA . 25749 1
44 . 1 1 8 8 ARG HB2 H 1 1.703 0.003 . 2 . . . A 8 ARG HB2 . 25749 1
45 . 1 1 8 8 ARG HB3 H 1 1.703 0.003 . 2 . . . A 8 ARG HB3 . 25749 1
46 . 1 1 8 8 ARG HG2 H 1 1.589 0.001 . 2 . . . A 8 ARG HG2 . 25749 1
47 . 1 1 8 8 ARG HG3 H 1 1.589 0.001 . 2 . . . A 8 ARG HG3 . 25749 1
48 . 1 1 9 9 LYS H H 1 8.406 0.004 . 1 . . . A 9 LYS H . 25749 1
49 . 1 1 9 9 LYS HA H 1 4.268 0.003 . 1 . . . A 9 LYS HA . 25749 1
50 . 1 1 9 9 LYS HB2 H 1 1.768 0.002 . 2 . . . A 9 LYS HB2 . 25749 1
51 . 1 1 9 9 LYS HB3 H 1 1.768 0.002 . 2 . . . A 9 LYS HB3 . 25749 1
52 . 1 1 9 9 LYS HG2 H 1 1.401 0.005 . 2 . . . A 9 LYS HG2 . 25749 1
53 . 1 1 9 9 LYS HG3 H 1 1.401 0.005 . 2 . . . A 9 LYS HG3 . 25749 1
54 . 1 1 9 9 LYS HD2 H 1 1.665 0.002 . 2 . . . A 9 LYS HD2 . 25749 1
55 . 1 1 9 9 LYS HD3 H 1 1.665 0.002 . 2 . . . A 9 LYS HD3 . 25749 1
56 . 1 1 10 10 CYS H H 1 8.344 0.003 . 1 . . . A 10 CYS H . 25749 1
57 . 1 1 10 10 CYS HA H 1 4.783 0.004 . 1 . . . A 10 CYS HA . 25749 1
58 . 1 1 10 10 CYS HB2 H 1 2.877 0.003 . 1 . . . A 10 CYS HB2 . 25749 1
59 . 1 1 10 10 CYS HB3 H 1 2.877 0.003 . 1 . . . A 10 CYS HB3 . 25749 1
60 . 1 1 11 11 PRO HB2 H 1 1.982 0.003 . 1 . . . A 11 PRO HB2 . 25749 1
61 . 1 1 11 11 PRO HB3 H 1 2.211 0.001 . 1 . . . A 11 PRO HB3 . 25749 1
62 . 1 1 11 11 PRO HD2 H 1 3.747 0.002 . 2 . . . A 11 PRO HD2 . 25749 1
63 . 1 1 11 11 PRO HD3 H 1 3.747 0.002 . 2 . . . A 11 PRO HD3 . 25749 1
64 . 1 1 12 12 LEU H H 1 8.171 0.002 . 1 . . . A 12 LEU H . 25749 1
65 . 1 1 12 12 LEU HA H 1 4.247 0.003 . 1 . . . A 12 LEU HA . 25749 1
66 . 1 1 12 12 LEU HB2 H 1 1.526 0.002 . 2 . . . A 12 LEU HB2 . 25749 1
67 . 1 1 12 12 LEU HB3 H 1 1.526 0.002 . 2 . . . A 12 LEU HB3 . 25749 1
68 . 1 1 12 12 LEU HG H 1 1.435 0.003 . 1 . . . A 12 LEU HG . 25749 1
69 . 1 1 12 12 LEU HD11 H 1 0.850 0.001 . 2 . . . A 12 LEU HD11 . 25749 1
70 . 1 1 12 12 LEU HD12 H 1 0.850 0.001 . 2 . . . A 12 LEU HD12 . 25749 1
71 . 1 1 12 12 LEU HD13 H 1 0.850 0.001 . 2 . . . A 12 LEU HD13 . 25749 1
72 . 1 1 12 12 LEU HD21 H 1 0.850 0.001 . 2 . . . A 12 LEU HD21 . 25749 1
73 . 1 1 12 12 LEU HD22 H 1 0.850 0.001 . 2 . . . A 12 LEU HD22 . 25749 1
74 . 1 1 12 12 LEU HD23 H 1 0.850 0.001 . 2 . . . A 12 LEU HD23 . 25749 1
75 . 1 1 13 13 PHE H H 1 8.170 0.002 . 1 . . . A 13 PHE H . 25749 1
76 . 1 1 13 13 PHE HA H 1 4.610 0.002 . 1 . . . A 13 PHE HA . 25749 1
77 . 1 1 13 13 PHE HB2 H 1 3.166 0.002 . 1 . . . A 13 PHE HB2 . 25749 1
78 . 1 1 13 13 PHE HB3 H 1 3.056 0.002 . 1 . . . A 13 PHE HB3 . 25749 1
79 . 1 1 13 13 PHE HD1 H 1 7.258 0.002 . 3 . . . A 13 PHE HD1 . 25749 1
80 . 1 1 13 13 PHE HD2 H 1 7.258 0.002 . 3 . . . A 13 PHE HD2 . 25749 1
81 . 1 1 13 13 PHE HE1 H 1 7.356 0.002 . 3 . . . A 13 PHE HE1 . 25749 1
82 . 1 1 13 13 PHE HE2 H 1 7.356 0.002 . 3 . . . A 13 PHE HE2 . 25749 1
83 . 1 1 14 14 GLY H H 1 8.301 0.004 . 1 . . . A 14 GLY H . 25749 1
84 . 1 1 14 14 GLY HA2 H 1 3.910 0.002 . 2 . . . A 14 GLY HA2 . 25749 1
85 . 1 1 14 14 GLY HA3 H 1 3.910 0.002 . 2 . . . A 14 GLY HA3 . 25749 1
86 . 1 1 15 15 LYS H H 1 8.187 0.003 . 1 . . . A 15 LYS H . 25749 1
87 . 1 1 15 15 LYS HA H 1 4.375 0.002 . 1 . . . A 15 LYS HA . 25749 1
88 . 1 1 15 15 LYS HB2 H 1 1.897 0.001 . 2 . . . A 15 LYS HB2 . 25749 1
89 . 1 1 15 15 LYS HB3 H 1 1.897 0.001 . 2 . . . A 15 LYS HB3 . 25749 1
90 . 1 1 15 15 LYS HG2 H 1 1.424 0.002 . 2 . . . A 15 LYS HG2 . 25749 1
91 . 1 1 15 15 LYS HG3 H 1 1.424 0.002 . 2 . . . A 15 LYS HG3 . 25749 1
92 . 1 1 15 15 LYS HD2 H 1 1.778 0.002 . 2 . . . A 15 LYS HD2 . 25749 1
93 . 1 1 15 15 LYS HD3 H 1 1.778 0.002 . 2 . . . A 15 LYS HD3 . 25749 1
94 . 1 1 15 15 LYS HE2 H 1 2.987 0.002 . 2 . . . A 15 LYS HE2 . 25749 1
95 . 1 1 15 15 LYS HE3 H 1 2.987 0.002 . 2 . . . A 15 LYS HE3 . 25749 1
96 . 1 1 16 16 GLY H H 1 8.487 0.003 . 1 . . . A 16 GLY H . 25749 1
97 . 1 1 16 16 GLY HA2 H 1 3.965 0.002 . 2 . . . A 16 GLY HA2 . 25749 1
98 . 1 1 16 16 GLY HA3 H 1 3.965 0.002 . 2 . . . A 16 GLY HA3 . 25749 1
99 . 1 1 17 17 GLY H H 1 7.921 0.003 . 1 . . . A 17 GLY H . 25749 1
100 . 1 1 17 17 GLY HA2 H 1 3.759 0.002 . 2 . . . A 17 GLY HA2 . 25749 1
101 . 1 1 17 17 GLY HA3 H 1 3.759 0.002 . 2 . . . A 17 GLY HA3 . 25749 1
stop_
save_