###################################
# 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 27552
_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' . . . 27552 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 U H1' H 1 5.337 . . . . . . . . 1 U H1' . 27552 1
2 . 1 1 1 1 U H2' H 1 4.140 . . . . . . . . 1 U H2' . 27552 1
3 . 1 1 1 1 U H3 H 1 11.580 . . . . . . . . 1 U H3 . 27552 1
4 . 1 1 1 1 U H3' H 1 4.472 . . . . . . . . 1 U H3' . 27552 1
5 . 1 1 1 1 U H5 H 1 5.343 . . . . . . . . 1 U H5 . 27552 1
6 . 1 1 1 1 U H6 H 1 7.718 . . . . . . . . 1 U H6 . 27552 1
7 . 1 1 2 2 A H1' H 1 5.905 . . . . . . . . 2 A H1' . 27552 1
8 . 1 1 2 2 A H2 H 1 7.169 . . . . . . . . 2 A H2 . 27552 1
9 . 1 1 2 2 A H2' H 1 4.831 . . . . . . . . 2 A H2' . 27552 1
10 . 1 1 2 2 A H3' H 1 4.550 . . . . . . . . 2 A H3' . 27552 1
11 . 1 1 2 2 A H8 H 1 8.268 . . . . . . . . 2 A H8 . 27552 1
12 . 1 1 3 3 A H1' H 1 5.960 . . . . . . . . 3 A H1' . 27552 1
13 . 1 1 3 3 A H2 H 1 7.489 . . . . . . . . 3 A H2 . 27552 1
14 . 1 1 3 3 A H2' H 1 4.677 . . . . . . . . 3 A H2' . 27552 1
15 . 1 1 3 3 A H8 H 1 7.968 . . . . . . . . 3 A H8 . 27552 1
16 . 1 1 4 4 G H1 H 1 13.454 . . . . . . . . 4 G H1 . 27552 1
17 . 1 1 4 4 G H1' H 1 5.537 . . . . . . . . 4 G H1' . 27552 1
18 . 1 1 4 4 G H2' H 1 4.344 . . . . . . . . 4 G H2' . 27552 1
19 . 1 1 4 4 G H3' H 1 4.468 . . . . . . . . 4 G H3' . 27552 1
20 . 1 1 4 4 G H8 H 1 7.140 . . . . . . . . 4 G H8 . 27552 1
21 . 1 1 5 5 U H1' H 1 5.471 . . . . . . . . 5 U H1' . 27552 1
22 . 1 1 5 5 U H3 H 1 13.663 . . . . . . . . 5 U H3 . 27552 1
23 . 1 1 5 5 U H5 H 1 5.019 . . . . . . . . 5 U H5 . 27552 1
24 . 1 1 5 5 U H6 H 1 7.647 . . . . . . . . 5 U H6 . 27552 1
25 . 1 1 6 6 G H1 H 1 12.561 . . . . . . . . 6 G H1 . 27552 1
26 . 1 1 6 6 G H1' H 1 5.777 . . . . . . . . 6 G H1' . 27552 1
27 . 1 1 6 6 G H2' H 1 4.610 . . . . . . . . 6 G H2' . 27552 1
28 . 1 1 6 6 G H8 H 1 7.614 . . . . . . . . 6 G H8 . 27552 1
29 . 1 1 7 7 U H1' H 1 5.363 . . . . . . . . 7 U H1' . 27552 1
30 . 1 1 7 7 U H2' H 1 4.175 . . . . . . . . 7 U H2' . 27552 1
31 . 1 1 7 7 U H3 H 1 11.636 . . . . . . . . 7 U H3 . 27552 1
32 . 1 1 7 7 U H3' H 1 4.596 . . . . . . . . 7 U H3' . 27552 1
33 . 1 1 7 7 U H5 H 1 5.477 . . . . . . . . 7 U H5 . 27552 1
34 . 1 1 7 7 U H6 H 1 7.743 . . . . . . . . 7 U H6 . 27552 1
35 . 1 1 8 8 A H1' H 1 5.930 . . . . . . . . 8 A H1' . 27552 1
36 . 1 1 8 8 A H2 H 1 7.190 . . . . . . . . 8 A H2 . 27552 1
37 . 1 1 8 8 A H2' H 1 4.498 . . . . . . . . 8 A H2' . 27552 1
38 . 1 1 8 8 A H8 H 1 8.339 . . . . . . . . 8 A H8 . 27552 1
39 . 1 1 9 9 C H1' H 1 5.400 . . . . . . . . 9 C H1' . 27552 1
40 . 1 1 9 9 C H2' H 1 4.073 . . . . . . . . 9 C H2' . 27552 1
41 . 1 1 9 9 C H3' H 1 4.495 . . . . . . . . 9 C H3' . 27552 1
42 . 1 1 9 9 C H4' H 1 4.362 . . . . . . . . 9 C H4' . 27552 1
43 . 1 1 9 9 C H5 H 1 5.185 . . . . . . . . 9 C H5 . 27552 1
44 . 1 1 9 9 C H6 H 1 7.504 . . . . . . . . 9 C H6 . 27552 1
45 . 1 1 9 9 C H41 H 1 8.342 . . . . . . . . 9 C H41 . 27552 1
46 . 1 1 9 9 C H42 H 1 6.954 . . . . . . . . 9 C H42 . 27552 1
47 . 1 1 10 10 U H1' H 1 5.895 . . . . . . . . 10 U H1' . 27552 1
48 . 1 1 10 10 U H3 H 1 13.507 . . . . . . . . 10 U H3 . 27552 1
49 . 1 1 10 10 U H5 H 1 5.632 . . . . . . . . 10 U H5 . 27552 1
50 . 1 1 10 10 U H6 H 1 7.786 . . . . . . . . 10 U H6 . 27552 1
51 . 1 1 11 11 G H1 H 1 10.144 . . . . . . . . 11 G H1 . 27552 1
52 . 1 1 11 11 G H1' H 1 5.716 . . . . . . . . 11 G H1' . 27552 1
53 . 1 1 11 11 G H2' H 1 4.598 . . . . . . . . 11 G H2' . 27552 1
54 . 1 1 11 11 G H8 H 1 7.872 . . . . . . . . 11 G H8 . 27552 1
55 . 1 1 11 11 G H22 H 1 6.279 . . . . . . . . 11 G H22 . 27552 1
56 . 1 1 12 12 G H1' H 1 5.700 . . . . . . . . 12 G H1' . 27552 1
57 . 1 1 12 12 G H2' H 1 4.539 . . . . . . . . 12 G H2' . 27552 1
58 . 1 1 12 12 G H8 H 1 7.555 . . . . . . . . 12 G H8 . 27552 1
59 . 1 1 13 13 DMA H1' H 1 5.539 . . . . . . . . 13 DMA H1' . 27552 1
60 . 1 1 13 13 DMA H2' H 1 4.596 . . . . . . . . 13 DMA H2' . 27552 1
61 . 1 1 13 13 DMA H8 H 1 7.902 . . . . . . . . 13 DMA H8 . 27552 1
62 . 1 1 13 13 DMA CH3 C 13 3.010 . . . . . . . . 13 DMA CH3 . 27552 1
63 . 1 1 14 14 DMA H1' H 1 6.279 . . . . . . . . 14 DMA H1' . 27552 1
64 . 1 1 14 14 DMA H2 H 1 7.708 . . . . . . . . 14 DMA H2 . 27552 1
65 . 1 1 14 14 DMA H8 H 1 7.656 . . . . . . . . 14 DMA H8 . 27552 1
66 . 1 1 14 14 DMA CH3 C 13 3.279 . . . . . . . . 14 DMA CH3 . 27552 1
67 . 1 1 15 15 A H1' H 1 5.240 . . . . . . . . 15 A H1' . 27552 1
68 . 1 1 15 15 A H2 H 1 7.474 . . . . . . . . 15 A H2 . 27552 1
69 . 1 1 15 15 A H2' H 1 4.506 . . . . . . . . 15 A H2' . 27552 1
70 . 1 1 15 15 A H3' H 1 4.188 . . . . . . . . 15 A H3' . 27552 1
71 . 1 1 15 15 A H8 H 1 8.280 . . . . . . . . 15 A H8 . 27552 1
72 . 1 1 16 16 G H1 H 1 12.687 . . . . . . . . 16 G H1 . 27552 1
73 . 1 1 16 16 G H1' H 1 5.686 . . . . . . . . 16 G H1' . 27552 1
74 . 1 1 16 16 G H2' H 1 4.305 . . . . . . . . 16 G H2' . 27552 1
75 . 1 1 16 16 G H3' H 1 4.464 . . . . . . . . 16 G H3' . 27552 1
76 . 1 1 16 16 G H8 H 1 7.231 . . . . . . . . 16 G H8 . 27552 1
77 . 1 1 17 17 U H1' H 1 5.564 . . . . . . . . 17 U H1' . 27552 1
78 . 1 1 17 17 U H2' H 1 4.497 . . . . . . . . 17 U H2' . 27552 1
79 . 1 1 17 17 U H3 H 1 13.959 . . . . . . . . 17 U H3 . 27552 1
80 . 1 1 17 17 U H5 H 1 5.125 . . . . . . . . 17 U H5 . 27552 1
81 . 1 1 17 17 U H6 H 1 7.703 . . . . . . . . 17 U H6 . 27552 1
82 . 1 1 18 18 G H1 H 1 10.750 . . . . . . . . 18 G H1 . 27552 1
83 . 1 1 18 18 G H1' H 1 5.794 . . . . . . . . 18 G H1' . 27552 1
84 . 1 1 18 18 G H2' H 1 4.380 . . . . . . . . 18 G H2' . 27552 1
85 . 1 1 18 18 G H8 H 1 7.662 . . . . . . . . 18 G H8 . 27552 1
86 . 1 1 19 19 C H1' H 1 5.351 . . . . . . . . 19 C H1' . 27552 1
87 . 1 1 19 19 C H2' H 1 4.328 . . . . . . . . 19 C H2' . 27552 1
88 . 1 1 19 19 C H5 H 1 5.353 . . . . . . . . 19 C H5 . 27552 1
89 . 1 1 19 19 C H6 H 1 7.639 . . . . . . . . 19 C H6 . 27552 1
90 . 1 1 19 19 C H41 H 1 8.085 . . . . . . . . 19 C H41 . 27552 1
91 . 1 1 19 19 C H42 H 1 6.858 . . . . . . . . 19 C H42 . 27552 1
92 . 1 1 20 20 A H1' H 1 5.886 . . . . . . . . 20 A H1' . 27552 1
93 . 1 1 20 20 A H2 H 1 7.374 . . . . . . . . 20 A H2 . 27552 1
94 . 1 1 20 20 A H2' H 1 4.543 . . . . . . . . 20 A H2' . 27552 1
95 . 1 1 20 20 A H8 H 1 8.008 . . . . . . . . 20 A H8 . 27552 1
96 . 1 1 21 21 C H1' H 1 5.383 . . . . . . . . 21 C H1' . 27552 1
97 . 1 1 21 21 C H2' H 1 4.172 . . . . . . . . 21 C H2' . 27552 1
98 . 1 1 21 21 C H5 H 1 5.205 . . . . . . . . 21 C H5 . 27552 1
99 . 1 1 21 21 C H6 H 1 7.534 . . . . . . . . 21 C H6 . 27552 1
100 . 1 1 21 21 C H41 H 1 8.224 . . . . . . . . 21 C H41 . 27552 1
101 . 1 1 21 21 C H42 H 1 6.999 . . . . . . . . 21 C H42 . 27552 1
102 . 1 1 22 22 U H1' H 1 5.494 . . . . . . . . 22 U H1' . 27552 1
103 . 1 1 22 22 U H3 H 1 14.093 . . . . . . . . 22 U H3 . 27552 1
104 . 1 1 22 22 U H5 H 1 5.318 . . . . . . . . 22 U H5 . 27552 1
105 . 1 1 22 22 U H6 H 1 7.820 . . . . . . . . 22 U H6 . 27552 1
106 . 1 1 23 23 U H1' H 1 5.700 . . . . . . . . 23 U H1' . 27552 1
107 . 1 1 23 23 U H5 H 1 5.520 . . . . . . . . 23 U H5 . 27552 1
108 . 1 1 23 23 U H6 H 1 7.816 . . . . . . . . 23 U H6 . 27552 1
109 . 1 1 24 24 G H1 H 1 10.704 . . . . . . . . 24 G H1 . 27552 1
110 . 1 1 24 24 G H1' H 1 5.684 . . . . . . . . 24 G H1' . 27552 1
111 . 1 1 24 24 G H8 H 1 7.780 . . . . . . . . 24 G H8 . 27552 1
stop_
save_