###################################
# 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 16785
_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
2 '2D 1H-1H NOESY' . . . 16785 1
4 '2D 1H-1H NOESY' . . . 16785 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 1 1 CYS HA H 1 4.370 0.002 . 1 . . . . 1 CYS HA . 16785 1
2 . 1 1 1 1 CYS HB2 H 1 3.068 0.003 . 2 . . . . 1 CYS HB2 . 16785 1
3 . 1 1 1 1 CYS HB3 H 1 2.899 0.003 . 2 . . . . 1 CYS HB3 . 16785 1
4 . 1 1 2 2 CYS H H 1 9.455 0.002 . 1 . . . . 2 CYS H . 16785 1
5 . 1 1 2 2 CYS HA H 1 4.764 0.002 . 1 . . . . 2 CYS HA . 16785 1
6 . 1 1 2 2 CYS HB2 H 1 3.334 0.004 . 2 . . . . 2 CYS HB2 . 16785 1
7 . 1 1 2 2 CYS HB3 H 1 2.789 0.001 . 2 . . . . 2 CYS HB3 . 16785 1
8 . 1 1 3 3 ALA H H 1 9.414 0.003 . 1 . . . . 3 ALA H . 16785 1
9 . 1 1 3 3 ALA HA H 1 4.506 0.004 . 1 . . . . 3 ALA HA . 16785 1
10 . 1 1 3 3 ALA HB1 H 1 1.575 0.002 . . . . . . 3 ALA QB . 16785 1
11 . 1 1 3 3 ALA HB2 H 1 1.575 0.002 . . . . . . 3 ALA QB . 16785 1
12 . 1 1 3 3 ALA HB3 H 1 1.575 0.002 . . . . . . 3 ALA QB . 16785 1
13 . 1 1 4 4 PRO HA H 1 4.257 0.003 . 1 . . . . 4 PRO HA . 16785 1
14 . 1 1 4 4 PRO HB2 H 1 2.400 0.003 . 2 . . . . 4 PRO HB2 . 16785 1
15 . 1 1 4 4 PRO HB3 H 1 2.003 0.004 . 2 . . . . 4 PRO HB3 . 16785 1
16 . 1 1 4 4 PRO HD2 H 1 3.889 0.004 . 2 . . . . 4 PRO HD2 . 16785 1
17 . 1 1 4 4 PRO HD3 H 1 3.802 0.003 . 2 . . . . 4 PRO HD3 . 16785 1
18 . 1 1 4 4 PRO HG2 H 1 2.221 0.003 . 2 . . . . 4 PRO QG . 16785 1
19 . 1 1 4 4 PRO HG3 H 1 2.221 0.003 . 2 . . . . 4 PRO QG . 16785 1
20 . 1 1 5 5 SER H H 1 8.838 0.003 . 1 . . . . 5 SER H . 16785 1
21 . 1 1 5 5 SER HA H 1 4.079 0.001 . 1 . . . . 5 SER HA . 16785 1
22 . 1 1 5 5 SER HB2 H 1 3.901 0.004 . 2 . . . . 5 SER QB . 16785 1
23 . 1 1 5 5 SER HB3 H 1 3.901 0.004 . 2 . . . . 5 SER QB . 16785 1
24 . 1 1 6 6 ALA H H 1 7.178 0.003 . 1 . . . . 6 ALA H . 16785 1
25 . 1 1 6 6 ALA HA H 1 4.353 0.002 . 1 . . . . 6 ALA HA . 16785 1
26 . 1 1 6 6 ALA HB1 H 1 1.553 0.003 . . . . . . 6 ALA QB . 16785 1
27 . 1 1 6 6 ALA HB2 H 1 1.553 0.003 . . . . . . 6 ALA QB . 16785 1
28 . 1 1 6 6 ALA HB3 H 1 1.553 0.003 . . . . . . 6 ALA QB . 16785 1
29 . 1 1 7 7 CYS H H 1 9.142 0.003 . 1 . . . . 7 CYS H . 16785 1
30 . 1 1 7 7 CYS HA H 1 4.745 0.004 . 1 . . . . 7 CYS HA . 16785 1
31 . 1 1 7 7 CYS HB2 H 1 3.547 0.001 . 2 . . . . 7 CYS HB2 . 16785 1
32 . 1 1 7 7 CYS HB3 H 1 2.959 0.004 . 2 . . . . 7 CYS HB3 . 16785 1
33 . 1 1 8 8 ARG H H 1 8.056 0.001 . 1 . . . . 8 ARG H . 16785 1
34 . 1 1 8 8 ARG HA H 1 4.161 0.002 . 1 . . . . 8 ARG HA . 16785 1
35 . 1 1 8 8 ARG HB2 H 1 1.957 0.002 . 2 . . . . 8 ARG HB2 . 16785 1
36 . 1 1 8 8 ARG HB3 H 1 1.751 0.001 . 2 . . . . 8 ARG HB3 . 16785 1
37 . 1 1 8 8 ARG HD2 H 1 3.226 0.001 . 2 . . . . 8 ARG QD . 16785 1
38 . 1 1 8 8 ARG HD3 H 1 3.226 0.001 . 2 . . . . 8 ARG QD . 16785 1
39 . 1 1 8 8 ARG HG2 H 1 1.671 0.004 . 2 . . . . 8 ARG QG . 16785 1
40 . 1 1 8 8 ARG HG3 H 1 1.671 0.004 . 2 . . . . 8 ARG QG . 16785 1
41 . 1 1 8 8 ARG HH21 H 1 6.975 0.001 . 2 . . . . 8 ARG HH21 . 16785 1
42 . 1 1 8 8 ARG HH22 H 1 6.682 0.000 . 2 . . . . 8 ARG HH22 . 16785 1
43 . 1 1 9 9 LEU H H 1 7.251 0.005 . 1 . . . . 9 LEU H . 16785 1
44 . 1 1 9 9 LEU HA H 1 4.458 0.003 . 1 . . . . 9 LEU HA . 16785 1
45 . 1 1 9 9 LEU HB2 H 1 1.860 0.002 . 2 . . . . 9 LEU HB2 . 16785 1
46 . 1 1 9 9 LEU HB3 H 1 1.775 0.001 . 2 . . . . 9 LEU HB3 . 16785 1
47 . 1 1 9 9 LEU HD11 H 1 0.932 0.003 . . . . . . 9 LEU QD1 . 16785 1
48 . 1 1 9 9 LEU HD12 H 1 0.932 0.003 . . . . . . 9 LEU QD1 . 16785 1
49 . 1 1 9 9 LEU HD13 H 1 0.932 0.003 . . . . . . 9 LEU QD1 . 16785 1
50 . 1 1 9 9 LEU HD21 H 1 0.884 0.002 . . . . . . 9 LEU QD2 . 16785 1
51 . 1 1 9 9 LEU HD22 H 1 0.884 0.002 . . . . . . 9 LEU QD2 . 16785 1
52 . 1 1 9 9 LEU HD23 H 1 0.884 0.002 . . . . . . 9 LEU QD2 . 16785 1
53 . 1 1 10 10 GLY H H 1 7.748 0.002 . 1 . . . . 10 GLY H . 16785 1
54 . 1 1 10 10 GLY HA2 H 1 4.493 0.004 . 2 . . . . 10 GLY HA2 . 16785 1
55 . 1 1 10 10 GLY HA3 H 1 3.603 0.002 . 2 . . . . 10 GLY HA3 . 16785 1
56 . 1 1 11 11 CYS H H 1 7.648 0.002 . 1 . . . . 11 CYS H . 16785 1
57 . 1 1 11 11 CYS HA H 1 4.415 0.002 . 1 . . . . 11 CYS HA . 16785 1
58 . 1 1 11 11 CYS HB2 H 1 2.888 0.005 . 2 . . . . 11 CYS HB2 . 16785 1
59 . 1 1 11 11 CYS HB3 H 1 2.569 0.004 . 2 . . . . 11 CYS HB3 . 16785 1
60 . 1 1 12 12 ARG H H 1 8.786 0.003 . 1 . . . . 12 ARG H . 16785 1
61 . 1 1 12 12 ARG HA H 1 4.625 0.003 . 1 . . . . 12 ARG HA . 16785 1
62 . 1 1 12 12 ARG HD2 H 1 3.572 0.002 . 2 . . . . 12 ARG HD2 . 16785 1
63 . 1 1 12 12 ARG HD3 H 1 3.166 0.003 . 2 . . . . 12 ARG HD3 . 16785 1
64 . 1 1 12 12 ARG HG2 H 1 1.691 0.002 . 2 . . . . 12 ARG QG . 16785 1
65 . 1 1 12 12 ARG HG3 H 1 1.691 0.002 . 2 . . . . 12 ARG QG . 16785 1
66 . 1 1 12 12 ARG HH21 H 1 6.973 0.003 . 2 . . . . 12 ARG HH21 . 16785 1
67 . 1 1 12 12 ARG HH22 H 1 6.685 0.005 . 2 . . . . 12 ARG HH22 . 16785 1
68 . 1 1 13 13 GPR HA H 1 4.546 0.004 . . . . . . 13 GPR HA . 16785 1
69 . 1 1 13 13 GPR HB2 H 1 2.697 0.004 . . . . . . 13 GPR HB2 . 16785 1
70 . 1 1 13 13 GPR HB3 H 1 2.079 0.005 . . . . . . 13 GPR HB3 . 16785 1
71 . 1 1 13 13 GPR HD2 H 1 3.882 0.004 . . . . . . 13 GPR HD2 . 16785 1
72 . 1 1 13 13 GPR HD3 H 1 3.499 0.004 . . . . . . 13 GPR HD3 . 16785 1
73 . 1 1 14 14 CYS H H 1 9.671 0.002 . 1 . . . . 14 CYS H . 16785 1
74 . 1 1 14 14 CYS HA H 1 4.854 0.004 . 1 . . . . 14 CYS HA . 16785 1
75 . 1 1 14 14 CYS HB2 H 1 3.591 0.005 . 2 . . . . 14 CYS HB2 . 16785 1
76 . 1 1 14 14 CYS HB3 H 1 3.254 0.003 . 2 . . . . 14 CYS HB3 . 16785 1
77 . 1 1 15 15 CYS H H 1 9.024 0.003 . 1 . . . . 15 CYS H . 16785 1
78 . 1 1 15 15 CYS HA H 1 4.548 0.003 . 1 . . . . 15 CYS HA . 16785 1
79 . 1 1 15 15 CYS HB2 H 1 3.367 0.004 . 2 . . . . 15 CYS HB2 . 16785 1
80 . 1 1 15 15 CYS HB3 H 1 2.631 0.003 . 2 . . . . 15 CYS HB3 . 16785 1
81 . 1 1 16 16 ARG H H 1 8.595 0.003 . 1 . . . . 16 ARG H . 16785 1
82 . 1 1 16 16 ARG HA H 1 4.263 0.003 . 1 . . . . 16 ARG HA . 16785 1
83 . 1 1 16 16 ARG HB2 H 1 1.913 0.001 . 2 . . . . 16 ARG HB2 . 16785 1
84 . 1 1 16 16 ARG HB3 H 1 1.748 0.003 . 2 . . . . 16 ARG HB3 . 16785 1
85 . 1 1 16 16 ARG HD2 H 1 1.639 0.002 . 2 . . . . 16 ARG QD . 16785 1
86 . 1 1 16 16 ARG HD3 H 1 1.639 0.002 . 2 . . . . 16 ARG QD . 16785 1
stop_
save_