###################################
# 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 27384
_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 NOESY' . . . 27384 1
2 '2D 1H-1H TOCSY' . . . 27384 1
3 '2D 1H-13C HSQC' . . . 27384 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 PCA H H 1 7.770 0.001 . 1 . . . . . 1 PCA H . 27384 1
2 . 1 1 1 1 PCA HA H 1 4.234 0.000 . 1 . . . . . 1 PCA HA . 27384 1
3 . 1 1 1 1 PCA HB2 H 1 2.286 0.000 . 2 . . . . . 1 PCA HB2 . 27384 1
4 . 1 1 1 1 PCA HB3 H 1 2.391 0.000 . 2 . . . . . 1 PCA HB3 . 27384 1
5 . 1 1 1 1 PCA HG2 H 1 1.897 0.000 . 1 . . . . . 1 PCA HG2 . 27384 1
6 . 1 1 1 1 PCA HG3 H 1 1.897 0.000 . 1 . . . . . 1 PCA HG3 . 27384 1
7 . 1 1 2 2 ARG H H 1 8.321 0.001 . 1 . . . . . 2 ARG H . 27384 1
8 . 1 1 2 2 ARG HA H 1 4.188 0.002 . 1 . . . . . 2 ARG HA . 27384 1
9 . 1 1 2 2 ARG HB2 H 1 1.663 0.000 . 2 . . . . . 2 ARG HB2 . 27384 1
10 . 1 1 2 2 ARG HB3 H 1 1.590 0.000 . 2 . . . . . 2 ARG HB3 . 27384 1
11 . 1 1 2 2 ARG HG2 H 1 1.496 0.000 . 2 . . . . . 2 ARG HG2 . 27384 1
12 . 1 1 2 2 ARG HG3 H 1 1.510 0.000 . 2 . . . . . 2 ARG HG3 . 27384 1
13 . 1 1 3 3 LEU H H 1 8.333 0.000 . 1 . . . . . 3 LEU H . 27384 1
14 . 1 1 3 3 LEU HA H 1 4.272 0.003 . 1 . . . . . 3 LEU HA . 27384 1
15 . 1 1 3 3 LEU HB2 H 1 1.529 0.025 . 1 . . . . . 3 LEU HB2 . 27384 1
16 . 1 1 3 3 LEU HB3 H 1 1.529 0.025 . 1 . . . . . 3 LEU HB3 . 27384 1
17 . 1 1 3 3 LEU HG H 1 1.450 0.026 . 1 . . . . . 3 LEU HG . 27384 1
18 . 1 1 3 3 LEU HD11 H 1 0.743 0.001 . 2 . . . . . 3 LEU HD11 . 27384 1
19 . 1 1 3 3 LEU HD12 H 1 0.743 0.001 . 2 . . . . . 3 LEU HD12 . 27384 1
20 . 1 1 3 3 LEU HD13 H 1 0.743 0.001 . 2 . . . . . 3 LEU HD13 . 27384 1
21 . 1 1 3 3 LEU HD21 H 1 0.744 0.000 . 2 . . . . . 3 LEU HD21 . 27384 1
22 . 1 1 3 3 LEU HD22 H 1 0.744 0.000 . 2 . . . . . 3 LEU HD22 . 27384 1
23 . 1 1 3 3 LEU HD23 H 1 0.744 0.000 . 2 . . . . . 3 LEU HD23 . 27384 1
24 . 1 1 4 4 CYS H H 1 8.608 0.002 . 1 . . . . . 4 CYS H . 27384 1
25 . 1 1 4 4 CYS HA H 1 4.157 0.003 . 1 . . . . . 4 CYS HA . 27384 1
26 . 1 1 4 4 CYS HB2 H 1 3.277 0.006 . 2 . . . . . 4 CYS HB2 . 27384 1
27 . 1 1 4 4 CYS HB3 H 1 3.569 0.005 . 2 . . . . . 4 CYS HB3 . 27384 1
28 . 1 1 5 5 CYS H H 1 7.927 0.022 . 1 . . . . . 5 CYS H . 27384 1
29 . 1 1 5 5 CYS HA H 1 4.886 0.006 . 1 . . . . . 5 CYS HA . 27384 1
30 . 1 1 5 5 CYS HB2 H 1 2.589 0.000 . 1 . . . . . 5 CYS HB2 . 27384 1
31 . 1 1 6 6 GLY H H 1 8.501 0.003 . 1 . . . . . 6 GLY H . 27384 1
32 . 1 1 6 6 GLY HA2 H 1 3.762 0.002 . 1 . . . . . 6 GLY HA2 . 27384 1
33 . 1 1 7 7 PHE H H 1 8.093 0.003 . 1 . . . . . 7 PHE H . 27384 1
34 . 1 1 7 7 PHE HA H 1 4.740 0.004 . 1 . . . . . 7 PHE HA . 27384 1
35 . 1 1 7 7 PHE HB2 H 1 2.997 0.006 . 2 . . . . . 7 PHE HB2 . 27384 1
36 . 1 1 7 7 PHE HB3 H 1 2.781 0.005 . 2 . . . . . 7 PHE HB3 . 27384 1
37 . 1 1 7 7 PHE HD1 H 1 7.137 0.001 . 1 . . . . . 7 PHE HD1 . 27384 1
38 . 1 1 7 7 PHE HD2 H 1 7.137 0.001 . 1 . . . . . 7 PHE HD2 . 27384 1
39 . 1 1 7 7 PHE HZ H 1 7.157 0.000 . 1 . . . . . 7 PHE HZ . 27384 1
40 . 1 1 8 8 HYP HA H 1 4.457 0.007 . 1 . . . . . 8 HYP HA . 27384 1
41 . 1 1 8 8 HYP HB2 H 1 2.212 0.005 . 2 . . . . . 8 HYP HB2 . 27384 1
42 . 1 1 8 8 HYP HB3 H 1 1.923 0.002 . 2 . . . . . 8 HYP HB3 . 27384 1
43 . 1 1 8 8 HYP HG H 1 4.463 0.003 . 1 . . . . . 8 HYP HG . 27384 1
44 . 1 1 8 8 HYP HD22 H 1 3.586 0.006 . 2 . . . . . 8 HYP HD22 . 27384 1
45 . 1 1 8 8 HYP HD23 H 1 3.760 0.011 . 2 . . . . . 8 HYP HD23 . 27384 1
46 . 1 1 9 9 LYS H H 1 8.528 0.003 . 1 . . . . . 9 LYS H . 27384 1
47 . 1 1 9 9 LYS HA H 1 4.162 0.003 . 1 . . . . . 9 LYS HA . 27384 1
48 . 1 1 9 9 LYS HB2 H 1 1.669 0.002 . 2 . . . . . 9 LYS HB2 . 27384 1
49 . 1 1 9 9 LYS HB3 H 1 1.747 0.003 . 2 . . . . . 9 LYS HB3 . 27384 1
50 . 1 1 9 9 LYS HG2 H 1 1.400 0.000 . 1 . . . . . 9 LYS HG2 . 27384 1
51 . 1 1 9 9 LYS HG3 H 1 1.400 0.000 . 1 . . . . . 9 LYS HG3 . 27384 1
52 . 1 1 9 9 LYS HD2 H 1 1.583 0.003 . 2 . . . . . 9 LYS HD2 . 27384 1
53 . 1 1 9 9 LYS HD3 H 1 1.581 0.000 . 2 . . . . . 9 LYS HD3 . 27384 1
54 . 1 1 9 9 LYS HZ1 H 1 7.419 0.000 . 1 . . . . . 9 LYS HZ1 . 27384 1
55 . 1 1 9 9 LYS HZ2 H 1 7.419 0.000 . 1 . . . . . 9 LYS HZ2 . 27384 1
56 . 1 1 9 9 LYS HZ3 H 1 7.419 0.000 . 1 . . . . . 9 LYS HZ3 . 27384 1
57 . 1 1 10 10 SER H H 1 8.150 0.002 . 1 . . . . . 10 SER H . 27384 1
58 . 1 1 10 10 SER HA H 1 4.277 0.001 . 1 . . . . . 10 SER HA . 27384 1
59 . 1 1 10 10 SER HB2 H 1 3.724 0.000 . 2 . . . . . 10 SER HB2 . 27384 1
60 . 1 1 10 10 SER HB3 H 1 3.748 0.003 . 2 . . . . . 10 SER HB3 . 27384 1
61 . 1 1 11 11 CYS H H 1 8.319 0.002 . 1 . . . . . 11 CYS H . 27384 1
62 . 1 1 11 11 CYS HA H 1 4.592 0.001 . 1 . . . . . 11 CYS HA . 27384 1
63 . 1 1 11 11 CYS HB2 H 1 2.995 0.001 . 2 . . . . . 11 CYS HB2 . 27384 1
64 . 1 1 11 11 CYS HB3 H 1 3.080 0.003 . 2 . . . . . 11 CYS HB3 . 27384 1
65 . 1 1 12 12 ARG H H 1 8.629 0.003 . 1 . . . . . 12 ARG H . 27384 1
66 . 1 1 12 12 ARG HA H 1 4.312 0.003 . 1 . . . . . 12 ARG HA . 27384 1
67 . 1 1 12 12 ARG HB2 H 1 1.850 0.004 . 2 . . . . . 12 ARG HB2 . 27384 1
68 . 1 1 12 12 ARG HB3 H 1 1.603 0.004 . 2 . . . . . 12 ARG HB3 . 27384 1
69 . 1 1 12 12 ARG HG2 H 1 1.505 0.004 . 1 . . . . . 12 ARG HG2 . 27384 1
70 . 1 1 12 12 ARG HG3 H 1 1.505 0.004 . 1 . . . . . 12 ARG HG3 . 27384 1
71 . 1 1 12 12 ARG HD2 H 1 3.067 0.002 . 1 . . . . . 12 ARG HD2 . 27384 1
72 . 1 1 12 12 ARG HD3 H 1 3.067 0.002 . 1 . . . . . 12 ARG HD3 . 27384 1
73 . 1 1 13 13 SER H H 1 7.788 0.003 . 1 . . . . . 13 SER H . 27384 1
74 . 1 1 13 13 SER HA H 1 4.375 0.001 . 1 . . . . . 13 SER HA . 27384 1
75 . 1 1 13 13 SER HB2 H 1 3.895 0.003 . 2 . . . . . 13 SER HB2 . 27384 1
76 . 1 1 13 13 SER HB3 H 1 3.792 0.001 . 2 . . . . . 13 SER HB3 . 27384 1
77 . 1 1 14 14 ARG H H 1 8.303 0.005 . 1 . . . . . 14 ARG H . 27384 1
78 . 1 1 14 14 ARG HA H 1 4.027 0.002 . 1 . . . . . 14 ARG HA . 27384 1
79 . 1 1 14 14 ARG HB2 H 1 1.758 0.005 . 1 . . . . . 14 ARG HB2 . 27384 1
80 . 1 1 14 14 ARG HB3 H 1 1.758 0.005 . 1 . . . . . 14 ARG HB3 . 27384 1
81 . 1 1 14 14 ARG HG2 H 1 1.528 0.005 . 1 . . . . . 14 ARG HG2 . 27384 1
82 . 1 1 14 14 ARG HG3 H 1 1.528 0.005 . 1 . . . . . 14 ARG HG3 . 27384 1
83 . 1 1 14 14 ARG HD2 H 1 3.080 0.001 . 1 . . . . . 14 ARG HD2 . 27384 1
84 . 1 1 14 14 ARG HE H 1 7.079 0.000 . 1 . . . . . 14 ARG HE . 27384 1
85 . 1 1 15 15 GLN H H 1 8.102 0.001 . 1 . . . . . 15 GLN H . 27384 1
86 . 1 1 15 15 GLN HA H 1 4.179 0.002 . 1 . . . . . 15 GLN HA . 27384 1
87 . 1 1 15 15 GLN HB2 H 1 1.954 0.032 . 2 . . . . . 15 GLN HB2 . 27384 1
88 . 1 1 15 15 GLN HB3 H 1 1.858 0.003 . 2 . . . . . 15 GLN HB3 . 27384 1
89 . 1 1 15 15 GLN HG2 H 1 2.218 0.002 . 1 . . . . . 15 GLN HG2 . 27384 1
90 . 1 1 15 15 GLN HG3 H 1 2.218 0.002 . 1 . . . . . 15 GLN HG3 . 27384 1
91 . 1 1 16 16 CYS H H 1 7.980 0.002 . 1 . . . . . 16 CYS H . 27384 1
92 . 1 1 16 16 CYS HA H 1 4.469 0.001 . 1 . . . . . 16 CYS HA . 27384 1
93 . 1 1 16 16 CYS HB2 H 1 3.084 0.002 . 2 . . . . . 16 CYS HB2 . 27384 1
94 . 1 1 16 16 CYS HB3 H 1 2.957 0.003 . 2 . . . . . 16 CYS HB3 . 27384 1
95 . 1 1 17 17 LYS H H 1 8.072 0.004 . 1 . . . . . 17 LYS H . 27384 1
96 . 1 1 17 17 LYS HA H 1 4.458 0.011 . 1 . . . . . 17 LYS HA . 27384 1
97 . 1 1 17 17 LYS HB2 H 1 1.586 0.005 . 2 . . . . . 17 LYS HB2 . 27384 1
98 . 1 1 17 17 LYS HB3 H 1 1.666 0.004 . 2 . . . . . 17 LYS HB3 . 27384 1
99 . 1 1 17 17 LYS HG2 H 1 1.330 0.004 . 2 . . . . . 17 LYS HG2 . 27384 1
100 . 1 1 17 17 LYS HG3 H 1 1.334 0.000 . 2 . . . . . 17 LYS HG3 . 27384 1
101 . 1 1 17 17 LYS HD2 H 1 1.547 0.000 . 1 . . . . . 17 LYS HD2 . 27384 1
102 . 1 1 17 17 LYS HD3 H 1 1.547 0.000 . 1 . . . . . 17 LYS HD3 . 27384 1
103 . 1 1 18 18 HYP HA H 1 4.398 0.006 . 1 . . . . . 18 HYP HA . 27384 1
104 . 1 1 18 18 HYP HB2 H 1 2.177 0.005 . 2 . . . . . 18 HYP HB2 . 27384 1
105 . 1 1 18 18 HYP HB3 H 1 1.838 0.005 . 2 . . . . . 18 HYP HB3 . 27384 1
106 . 1 1 18 18 HYP HG H 1 4.456 0.001 . 1 . . . . . 18 HYP HG . 27384 1
107 . 1 1 18 18 HYP HD22 H 1 3.728 0.002 . 2 . . . . . 18 HYP HD22 . 27384 1
108 . 1 1 18 18 HYP HD23 H 1 3.648 0.002 . 2 . . . . . 18 HYP HD23 . 27384 1
109 . 1 1 19 19 HIS H H 1 8.655 0.003 . 1 . . . . . 19 HIS H . 27384 1
110 . 1 1 19 19 HIS HA H 1 4.533 0.005 . 1 . . . . . 19 HIS HA . 27384 1
111 . 1 1 19 19 HIS HB2 H 1 3.076 0.004 . 1 . . . . . 19 HIS HB2 . 27384 1
112 . 1 1 19 19 HIS HB3 H 1 3.076 0.004 . 1 . . . . . 19 HIS HB3 . 27384 1
113 . 1 1 20 20 ARG H H 1 8.343 0.000 . 1 . . . . . 20 ARG H . 27384 1
114 . 1 1 20 20 ARG HA H 1 4.188 0.002 . 1 . . . . . 20 ARG HA . 27384 1
115 . 1 1 20 20 ARG HB2 H 1 1.714 0.001 . 2 . . . . . 20 ARG HB2 . 27384 1
116 . 1 1 20 20 ARG HB3 H 1 1.607 0.002 . 2 . . . . . 20 ARG HB3 . 27384 1
117 . 1 1 20 20 ARG HG2 H 1 1.501 0.001 . 1 . . . . . 20 ARG HG2 . 27384 1
118 . 1 1 21 21 CYS H H 1 8.156 0.002 . 1 . . . . . 21 CYS H . 27384 1
119 . 1 1 21 21 CYS HA H 1 4.821 0.003 . 1 . . . . . 21 CYS HA . 27384 1
120 . 1 1 21 21 CYS HB2 H 1 3.289 0.001 . 2 . . . . . 21 CYS HB2 . 27384 1
121 . 1 1 21 21 CYS HB3 H 1 3.481 0.003 . 2 . . . . . 21 CYS HB3 . 27384 1
122 . 1 1 22 22 CYS H H 1 8.673 0.002 . 1 . . . . . 22 CYS H . 27384 1
123 . 1 1 22 22 CYS HA H 1 3.821 0.000 . 1 . . . . . 22 CYS HA . 27384 1
124 . 1 1 22 22 CYS HB2 H 1 3.216 0.000 . 1 . . . . . 22 CYS HB2 . 27384 1
stop_
save_