###################################
# 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 18239
_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' . . . 18239 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 G H1 H 1 12.34 0.01 . . . . . A 1 G H1 . 18239 1
2 . 1 1 1 1 G H1' H 1 5.74 0.01 . . . . . A 1 G H1' . 18239 1
3 . 1 1 1 1 G H2' H 1 4.83 0.01 . . . . . A 1 G H2' . 18239 1
4 . 1 1 1 1 G H3' H 1 4.68 0.01 . . . . . A 1 G H3' . 18239 1
5 . 1 1 1 1 G H4' H 1 4.40 0.01 . . . . . A 1 G H4' . 18239 1
6 . 1 1 1 1 G H8 H 1 8.07 0.01 . . . . . A 1 G H8 . 18239 1
7 . 1 1 2 2 A H1' H 1 6.18 0.01 . . . . . A 2 A H1' . 18239 1
8 . 1 1 2 2 A H2 H 1 7.61 0.01 . . . . . A 2 A H2 . 18239 1
9 . 1 1 2 2 A H2' H 1 4.76 0.01 . . . . . A 2 A H2' . 18239 1
10 . 1 1 2 2 A H3' H 1 4.78 0.01 . . . . . A 2 A H3' . 18239 1
11 . 1 1 2 2 A H4' H 1 4.56 0.01 . . . . . A 2 A H4' . 18239 1
12 . 1 1 2 2 A H8 H 1 8.13 0.01 . . . . . A 2 A H8 . 18239 1
13 . 1 1 2 2 A P P 31 -3.96 0.01 . . . . . A 2 A P . 18239 1
14 . 1 1 3 3 G H1 H 1 11.00 0.01 . . . . . A 3 G H1 . 18239 1
15 . 1 1 3 3 G H1' H 1 5.65 0.01 . . . . . A 3 G H1' . 18239 1
16 . 1 1 3 3 G H2' H 1 4.69 0.01 . . . . . A 3 G H2' . 18239 1
17 . 1 1 3 3 G H3' H 1 4.26 0.01 . . . . . A 3 G H3' . 18239 1
18 . 1 1 3 3 G H4' H 1 4.53 0.01 . . . . . A 3 G H4' . 18239 1
19 . 1 1 3 3 G H8 H 1 6.97 0.01 . . . . . A 3 G H8 . 18239 1
20 . 1 1 3 3 G P P 31 -4.25 0.01 . . . . . A 3 G P . 18239 1
21 . 1 1 4 4 G H1 H 1 12.57 0.01 . . . . . A 4 G H1 . 18239 1
22 . 1 1 4 4 G H1' H 1 5.72 0.01 . . . . . A 4 G H1' . 18239 1
23 . 1 1 4 4 G H2' H 1 4.63 0.01 . . . . . A 4 G H2' . 18239 1
24 . 1 1 4 4 G H3' H 1 4.55 0.01 . . . . . A 4 G H3' . 18239 1
25 . 1 1 4 4 G H4' H 1 4.48 0.01 . . . . . A 4 G H4' . 18239 1
26 . 1 1 4 4 G H8 H 1 7.15 0.01 . . . . . A 4 G H8 . 18239 1
27 . 1 1 4 4 G H21 H 1 8.44 0.01 . . . . . A 4 G H21 . 18239 1
28 . 1 1 4 4 G H22 H 1 6.46 0.01 . . . . . A 4 G H22 . 18239 1
29 . 1 1 4 4 G P P 31 -3.86 0.01 . . . . . A 4 G P . 18239 1
30 . 1 1 5 5 A H1' H 1 5.96 0.01 . . . . . A 5 A H1' . 18239 1
31 . 1 1 5 5 A H2 H 1 7.79 0.01 . . . . . A 5 A H2 . 18239 1
32 . 1 1 5 5 A H2' H 1 4.48 0.01 . . . . . A 5 A H2' . 18239 1
33 . 1 1 5 5 A H3' H 1 4.56 0.01 . . . . . A 5 A H3' . 18239 1
34 . 1 1 5 5 A H4' H 1 4.48 0.01 . . . . . A 5 A H4' . 18239 1
35 . 1 1 5 5 A H8 H 1 7.64 0.01 . . . . . A 5 A H8 . 18239 1
36 . 1 1 5 5 A P P 31 -3.82 0.01 . . . . . A 5 A P . 18239 1
37 . 1 1 6 6 C H1' H 1 5.52 0.01 . . . . . A 6 C H1' . 18239 1
38 . 1 1 6 6 C H2' H 1 4.33 0.01 . . . . . A 6 C H2' . 18239 1
39 . 1 1 6 6 C H3' H 1 4.48 0.01 . . . . . A 6 C H3' . 18239 1
40 . 1 1 6 6 C H4' H 1 4.37 0.01 . . . . . A 6 C H4' . 18239 1
41 . 1 1 6 6 C H5 H 1 5.12 0.01 . . . . . A 6 C H5 . 18239 1
42 . 1 1 6 6 C H6 H 1 7.37 0.01 . . . . . A 6 C H6 . 18239 1
43 . 1 1 6 6 C P P 31 -3.50 0.01 . . . . . A 6 C P . 18239 1
44 . 1 1 7 7 A H1' H 1 5.99 0.01 . . . . . A 7 A H1' . 18239 1
45 . 1 1 7 7 A H2 H 1 7.76 0.01 . . . . . A 7 A H2 . 18239 1
46 . 1 1 7 7 A H2' H 1 4.67 0.01 . . . . . A 7 A H2' . 18239 1
47 . 1 1 7 7 A H3' H 1 4.65 0.01 . . . . . A 7 A H3' . 18239 1
48 . 1 1 7 7 A H4' H 1 4.52 0.01 . . . . . A 7 A H4' . 18239 1
49 . 1 1 7 7 A H8 H 1 8.25 0.01 . . . . . A 7 A H8 . 18239 1
50 . 1 1 7 7 A P P 31 -3.88 0.01 . . . . . A 7 A P . 18239 1
51 . 1 1 8 8 U H1' H 1 5.73 0.01 . . . . . A 8 U H1' . 18239 1
52 . 1 1 8 8 U H2' H 1 4.21 0.01 . . . . . A 8 U H2' . 18239 1
53 . 1 1 8 8 U H3' H 1 4.53 0.01 . . . . . A 8 U H3' . 18239 1
54 . 1 1 8 8 U H4' H 1 4.10 0.01 . . . . . A 8 U H4' . 18239 1
55 . 1 1 8 8 U H5 H 1 5.78 0.01 . . . . . A 8 U H5 . 18239 1
56 . 1 1 8 8 U H6 H 1 7.63 0.01 . . . . . A 8 U H6 . 18239 1
57 . 1 1 8 8 U P P 31 -4.10 0.01 . . . . . A 8 U P . 18239 1
58 . 1 1 9 9 A H1' H 1 5.74 0.01 . . . . . A 9 A H1' . 18239 1
59 . 1 1 9 9 A H2 H 1 7.94 0.01 . . . . . A 9 A H2 . 18239 1
60 . 1 1 9 9 A H2' H 1 4.60 0.01 . . . . . A 9 A H2' . 18239 1
61 . 1 1 9 9 A H3' H 1 4.79 0.01 . . . . . A 9 A H3' . 18239 1
62 . 1 1 9 9 A H4' H 1 4.31 0.01 . . . . . A 9 A H4' . 18239 1
63 . 1 1 9 9 A H8 H 1 8.07 0.01 . . . . . A 9 A H8 . 18239 1
64 . 1 1 9 9 A P P 31 -3.80 0.01 . . . . . A 9 A P . 18239 1
65 . 1 1 10 10 G H1 H 1 12.73 0.01 . . . . . A 10 G H1 . 18239 1
66 . 1 1 10 10 G H1' H 1 5.85 0.01 . . . . . A 10 G H1' . 18239 1
67 . 1 1 10 10 G H2' H 1 4.94 0.01 . . . . . A 10 G H2' . 18239 1
68 . 1 1 10 10 G H3' H 1 4.94 0.01 . . . . . A 10 G H3' . 18239 1
69 . 1 1 10 10 G H4' H 1 4.56 0.01 . . . . . A 10 G H4' . 18239 1
70 . 1 1 10 10 G H8 H 1 8.00 0.01 . . . . . A 10 G H8 . 18239 1
71 . 1 1 10 10 G P P 31 -4.09 0.01 . . . . . A 10 G P . 18239 1
72 . 1 1 11 11 A H1' H 1 6.20 0.01 . . . . . A 11 A H1' . 18239 1
73 . 1 1 11 11 A H2 H 1 7.85 0.01 . . . . . A 11 A H2 . 18239 1
74 . 1 1 11 11 A H2' H 1 4.95 0.01 . . . . . A 11 A H2' . 18239 1
75 . 1 1 11 11 A H3' H 1 4.94 0.01 . . . . . A 11 A H3' . 18239 1
76 . 1 1 11 11 A H4' H 1 4.67 0.01 . . . . . A 11 A H4' . 18239 1
77 . 1 1 11 11 A H8 H 1 8.48 0.01 . . . . . A 11 A H8 . 18239 1
78 . 1 1 11 11 A P P 31 -4.38 0.01 . . . . . A 11 A P . 18239 1
79 . 1 1 12 12 U H1' H 1 5.41 0.01 . . . . . A 12 U H1' . 18239 1
80 . 1 1 12 12 U H2' H 1 4.58 0.01 . . . . . A 12 U H2' . 18239 1
81 . 1 1 12 12 U H3 H 1 13.85 0.01 . . . . . A 12 U H3 . 18239 1
82 . 1 1 12 12 U H3' H 1 4.51 0.01 . . . . . A 12 U H3' . 18239 1
83 . 1 1 12 12 U H4' H 1 4.51 0.01 . . . . . A 12 U H4' . 18239 1
84 . 1 1 12 12 U H5 H 1 5.46 0.01 . . . . . A 12 U H5 . 18239 1
85 . 1 1 12 12 U H6 H 1 7.85 0.01 . . . . . A 12 U H6 . 18239 1
86 . 1 1 12 12 U P P 31 -4.26 0.01 . . . . . A 12 U P . 18239 1
87 . 1 1 13 13 C H1' H 1 5.61 0.01 . . . . . A 13 C H1' . 18239 1
88 . 1 1 13 13 C H2' H 1 4.59 0.01 . . . . . A 13 C H2' . 18239 1
89 . 1 1 13 13 C H3' H 1 4.51 0.01 . . . . . A 13 C H3' . 18239 1
90 . 1 1 13 13 C H4' H 1 4.47 0.01 . . . . . A 13 C H4' . 18239 1
91 . 1 1 13 13 C H5 H 1 5.70 0.01 . . . . . A 13 C H5 . 18239 1
92 . 1 1 13 13 C H6 H 1 7.89 0.01 . . . . . A 13 C H6 . 18239 1
93 . 1 1 13 13 C H41 H 1 8.37 0.01 . . . . . A 13 C H41 . 18239 1
94 . 1 1 13 13 C H42 H 1 7.07 0.01 . . . . . A 13 C H42 . 18239 1
95 . 1 1 13 13 C P P 31 -3.47 0.01 . . . . . A 13 C P . 18239 1
96 . 1 1 14 14 U H1' H 1 5.64 0.01 . . . . . A 14 U H1' . 18239 1
97 . 1 1 14 14 U H2' H 1 4.14 0.01 . . . . . A 14 U H2' . 18239 1
98 . 1 1 14 14 U H3 H 1 11.79 0.01 . . . . . A 14 U H3 . 18239 1
99 . 1 1 14 14 U H3' H 1 4.59 0.01 . . . . . A 14 U H3' . 18239 1
100 . 1 1 14 14 U H4' H 1 4.43 0.01 . . . . . A 14 U H4' . 18239 1
101 . 1 1 14 14 U H5 H 1 5.78 0.01 . . . . . A 14 U H5 . 18239 1
102 . 1 1 14 14 U H6 H 1 7.88 0.01 . . . . . A 14 U H6 . 18239 1
103 . 1 1 14 14 U P P 31 -3.75 0.01 . . . . . A 14 U P . 18239 1
104 . 1 1 15 15 U H1' H 1 5.59 0.01 . . . . . A 15 U H1' . 18239 1
105 . 1 1 15 15 U H2' H 1 4.29 0.01 . . . . . A 15 U H2' . 18239 1
106 . 1 1 15 15 U H3 H 1 14.46 0.01 . . . . . A 15 U H3 . 18239 1
107 . 1 1 15 15 U H3' H 1 4.59 0.01 . . . . . A 15 U H3' . 18239 1
108 . 1 1 15 15 U H4' H 1 4.38 0.01 . . . . . A 15 U H4' . 18239 1
109 . 1 1 15 15 U H5 H 1 5.65 0.01 . . . . . A 15 U H5 . 18239 1
110 . 1 1 15 15 U H6 H 1 8.11 0.01 . . . . . A 15 U H6 . 18239 1
111 . 1 1 15 15 U P P 31 -2.79 0.01 . . . . . A 15 U P . 18239 1
112 . 1 1 16 16 C H1' H 1 5.88 0.01 . . . . . A 16 C H1' . 18239 1
113 . 1 1 16 16 C H2' H 1 4.01 0.01 . . . . . A 16 C H2' . 18239 1
114 . 1 1 16 16 C H3' H 1 4.22 0.01 . . . . . A 16 C H3' . 18239 1
115 . 1 1 16 16 C H4' H 1 4.18 0.01 . . . . . A 16 C H4' . 18239 1
116 . 1 1 16 16 C H5 H 1 5.73 0.01 . . . . . A 16 C H5 . 18239 1
117 . 1 1 16 16 C H6 H 1 7.77 0.01 . . . . . A 16 C H6 . 18239 1
118 . 1 1 16 16 C H41 H 1 8.30 0.01 . . . . . A 16 C H41 . 18239 1
119 . 1 1 16 16 C H42 H 1 7.14 0.01 . . . . . A 16 C H42 . 18239 1
120 . 1 1 16 16 C P P 31 -3.64 0.01 . . . . . A 16 C P . 18239 1
stop_
save_