###################################
# 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50933
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name RNA5
_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 $chem_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-13C HMQC' . . . 50933 1
2 '2D 1H-1H TOCSY' . . . 50933 1
3 '2D 1H-1H NOESY' . . . 50933 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50933 1
2 $software_2 . . 50933 1
3 $software_3 . . 50933 1
4 $software_4 . . 50933 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 G H1 H 1 12.6709 0.0000 . 1 . . . . . 1 G H1 . 50933 1
2 . 1 . 1 1 1 G H1' H 1 5.8303 0.0000 . 1 . . . . . 1 G H1' . 50933 1
3 . 1 . 1 1 1 G H2' H 1 4.9109 0.0000 . 1 . . . . . 1 G H2' . 50933 1
4 . 1 . 1 1 1 G H3' H 1 4.6909 0.0000 . 1 . . . . . 1 G H3' . 50933 1
5 . 1 . 1 1 1 G H8 H 1 8.1318 0.0000 . 1 . . . . . 1 G H8 . 50933 1
6 . 1 . 1 1 1 G C8 C 13 138.7245 0.0000 . 1 . . . . . 1 G C8 . 50933 1
7 . 1 . 1 2 2 G H1 H 1 12.6718 0.0000 . 1 . . . . . 2 G H1 . 50933 1
8 . 1 . 1 2 2 G H1' H 1 5.9321 0.0000 . 1 . . . . . 2 G H1' . 50933 1
9 . 1 . 1 2 2 G H8 H 1 7.5316 0.0000 . 1 . . . . . 2 G H8 . 50933 1
10 . 1 . 1 2 2 G C8 C 13 136.5404 0.0000 . 1 . . . . . 2 G C8 . 50933 1
11 . 1 . 1 3 3 G H1 H 1 12.1942 0.0000 . 1 . . . . . 3 G H1 . 50933 1
12 . 1 . 1 3 3 G H1' H 1 5.7704 0.0000 . 1 . . . . . 3 G H1' . 50933 1
13 . 1 . 1 3 3 G H2' H 1 4.6363 0.0000 . 1 . . . . . 3 G H2' . 50933 1
14 . 1 . 1 3 3 G H3' H 1 4.5609 0.0000 . 1 . . . . . 3 G H3' . 50933 1
15 . 1 . 1 3 3 G H8 H 1 7.1641 0.0000 . 1 . . . . . 3 G H8 . 50933 1
16 . 1 . 1 3 3 G C8 C 13 135.6995 0.0000 . 1 . . . . . 3 G C8 . 50933 1
17 . 1 . 1 4 4 A H1' H 1 5.9247 0.0000 . 1 . . . . . 4 A H1' . 50933 1
18 . 1 . 1 4 4 A H2 H 1 7.1712 0.0000 . 1 . . . . . 4 A H2 . 50933 1
19 . 1 . 1 4 4 A H2' H 1 4.6280 0.0000 . 1 . . . . . 4 A H2' . 50933 1
20 . 1 . 1 4 4 A H3' H 1 4.6241 0.0000 . 1 . . . . . 4 A H3' . 50933 1
21 . 1 . 1 4 4 A H8 H 1 7.6624 0.0000 . 1 . . . . . 4 A H8 . 50933 1
22 . 1 . 1 4 4 A C2 C 13 153.0961 0.0000 . 1 . . . . . 4 A C2 . 50933 1
23 . 1 . 1 4 4 A C8 C 13 139.4072 0.0000 . 1 . . . . . 4 A C8 . 50933 1
24 . 1 . 1 5 5 A H1' H 1 5.8776 0.0000 . 1 . . . . . 5 A H1' . 50933 1
25 . 1 . 1 5 5 A H2 H 1 7.7430 0.0000 . 1 . . . . . 5 A H2 . 50933 1
26 . 1 . 1 5 5 A H8 H 1 7.7021 0.0000 . 1 . . . . . 5 A H8 . 50933 1
27 . 1 . 1 5 5 A C2 C 13 153.8368 0.0000 . 1 . . . . . 5 A C2 . 50933 1
28 . 1 . 1 5 5 A C8 C 13 138.7484 0.0000 . 1 . . . . . 5 A C8 . 50933 1
29 . 1 . 1 6 6 U H1' H 1 5.4619 0.0000 . 1 . . . . . 6 U H1' . 50933 1
30 . 1 . 1 6 6 U H2' H 1 4.4939 0.0000 . 1 . . . . . 6 U H2' . 50933 1
31 . 1 . 1 6 6 U H3 H 1 13.4598 0.0000 . 1 . . . . . 6 U H3 . 50933 1
32 . 1 . 1 6 6 U H3' H 1 4.5151 0.0000 . 1 . . . . . 6 U H3' . 50933 1
33 . 1 . 1 6 6 U H5 H 1 5.0144 0.0000 . 1 . . . . . 6 U H5 . 50933 1
34 . 1 . 1 6 6 U H6 H 1 7.5209 0.0000 . 1 . . . . . 6 U H6 . 50933 1
35 . 1 . 1 6 6 U C6 C 13 141.0870 0.0000 . 1 . . . . . 6 U C6 . 50933 1
36 . 1 . 1 7 7 G H1 H 1 12.4997 0.0000 . 1 . . . . . 7 G H1 . 50933 1
37 . 1 . 1 7 7 G H1' H 1 5.7851 0.0000 . 1 . . . . . 7 G H1' . 50933 1
38 . 1 . 1 7 7 G H2' H 1 4.5477 0.0000 . 1 . . . . . 7 G H2' . 50933 1
39 . 1 . 1 7 7 G H3' H 1 4.4878 0.0000 . 1 . . . . . 7 G H3' . 50933 1
40 . 1 . 1 7 7 G H8 H 1 7.6644 0.0000 . 1 . . . . . 7 G H8 . 50933 1
41 . 1 . 1 7 7 G C8 C 13 136.0068 0.0000 . 1 . . . . . 7 G C8 . 50933 1
42 . 1 . 1 8 8 C H1' H 1 5.4901 0.0000 . 1 . . . . . 8 C H1' . 50933 1
43 . 1 . 1 8 8 C H2' H 1 4.3314 0.0000 . 1 . . . . . 8 C H2' . 50933 1
44 . 1 . 1 8 8 C H5 H 1 5.1587 0.0000 . 1 . . . . . 8 C H5 . 50933 1
45 . 1 . 1 8 8 C H6 H 1 7.6432 0.0000 . 1 . . . . . 8 C H6 . 50933 1
46 . 1 . 1 8 8 C H41 H 1 8.4438 0.0000 . 2 . . . . . 8 C H41 . 50933 1
47 . 1 . 1 8 8 C H42 H 1 6.8180 0.0000 . 2 . . . . . 8 C H42 . 50933 1
48 . 1 . 1 8 8 C C6 C 13 140.8526 0.0000 . 1 . . . . . 8 C C6 . 50933 1
49 . 1 . 1 9 9 U H1' H 1 5.6156 0.0000 . 1 . . . . . 9 U H1' . 50933 1
50 . 1 . 1 9 9 U H2' H 1 4.4204 0.0000 . 1 . . . . . 9 U H2' . 50933 1
51 . 1 . 1 9 9 U H3 H 1 13.5198 0.0000 . 1 . . . . . 9 U H3 . 50933 1
52 . 1 . 1 9 9 U H3' H 1 4.4232 0.0000 . 1 . . . . . 9 U H3' . 50933 1
53 . 1 . 1 9 9 U H5 H 1 5.3596 0.0000 . 1 . . . . . 9 U H5 . 50933 1
54 . 1 . 1 9 9 U H6 H 1 7.7251 0.0000 . 1 . . . . . 9 U H6 . 50933 1
55 . 1 . 1 9 9 U C6 C 13 140.7916 0.0000 . 1 . . . . . 9 U C6 . 50933 1
56 . 1 . 1 10 10 G H1' H 1 5.6837 0.0000 . 1 . . . . . 10 G H1' . 50933 1
57 . 1 . 1 10 10 G H2' H 1 4.4078 0.0000 . 1 . . . . . 10 G H2' . 50933 1
58 . 1 . 1 10 10 G H8 H 1 7.5192 0.0000 . 1 . . . . . 10 G H8 . 50933 1
59 . 1 . 1 10 10 G C8 C 13 136.5666 0.0000 . 1 . . . . . 10 G C8 . 50933 1
60 . 1 . 1 11 11 A H1' H 1 5.6909 0.0000 . 1 . . . . . 11 A H1' . 50933 1
61 . 1 . 1 11 11 A H2 H 1 7.8975 0.0000 . 1 . . . . . 11 A H2 . 50933 1
62 . 1 . 1 11 11 A H2' H 1 4.6642 0.0000 . 1 . . . . . 11 A H2' . 50933 1
63 . 1 . 1 11 11 A H3' H 1 4.4510 0.0000 . 1 . . . . . 11 A H3' . 50933 1
64 . 1 . 1 11 11 A H8 H 1 8.2232 0.0000 . 1 . . . . . 11 A H8 . 50933 1
65 . 1 . 1 11 11 A C2 C 13 154.5627 0.0000 . 1 . . . . . 11 A C2 . 50933 1
66 . 1 . 1 11 11 A C8 C 13 141.7697 0.0000 . 1 . . . . . 11 A C8 . 50933 1
67 . 1 . 1 12 12 G H1' H 1 5.1707 0.0000 . 1 . . . . . 12 G H1' . 50933 1
68 . 1 . 1 12 12 G H2' H 1 4.1966 0.0000 . 1 . . . . . 12 G H2' . 50933 1
69 . 1 . 1 12 12 G H8 H 1 7.5015 0.0000 . 1 . . . . . 12 G H8 . 50933 1
70 . 1 . 1 12 12 G C8 C 13 137.2382 0.0000 . 1 . . . . . 12 G C8 . 50933 1
71 . 1 . 1 13 13 A H1' H 1 6.0818 0.0000 . 1 . . . . . 13 A H1' . 50933 1
72 . 1 . 1 13 13 A H2 H 1 8.1840 0.0000 . 1 . . . . . 13 A H2 . 50933 1
73 . 1 . 1 13 13 A H2' H 1 4.5498 0.0000 . 1 . . . . . 13 A H2' . 50933 1
74 . 1 . 1 13 13 A H3' H 1 4.9751 0.0000 . 1 . . . . . 13 A H3' . 50933 1
75 . 1 . 1 13 13 A H8 H 1 8.0371 0.0000 . 1 . . . . . 13 A H8 . 50933 1
76 . 1 . 1 13 13 A C2 C 13 155.6520 0.0000 . 1 . . . . . 13 A C2 . 50933 1
77 . 1 . 1 13 13 A C8 C 13 140.3085 0.0000 . 1 . . . . . 13 A C8 . 50933 1
78 . 1 . 1 14 14 A H1' H 1 4.5251 0.0000 . 1 . . . . . 14 A H1' . 50933 1
79 . 1 . 1 14 14 A H2 H 1 7.3757 0.0000 . 1 . . . . . 14 A H2 . 50933 1
80 . 1 . 1 14 14 A H8 H 1 8.3254 0.0000 . 1 . . . . . 14 A H8 . 50933 1
81 . 1 . 1 14 14 A C2 C 13 153.1832 0.0000 . 1 . . . . . 14 A C2 . 50933 1
82 . 1 . 1 14 14 A C8 C 13 140.6418 0.0000 . 1 . . . . . 14 A C8 . 50933 1
83 . 1 . 1 15 15 G H1 H 1 13.2630 0.0000 . 1 . . . . . 15 G H1 . 50933 1
84 . 1 . 1 15 15 G H1' H 1 5.6950 0.0000 . 1 . . . . . 15 G H1' . 50933 1
85 . 1 . 1 15 15 G H8 H 1 7.2812 0.0000 . 1 . . . . . 15 G H8 . 50933 1
86 . 1 . 1 15 15 G C8 C 13 135.5285 0.0000 . 1 . . . . . 15 G C8 . 50933 1
87 . 1 . 1 16 16 C H1' H 1 5.4531 0.0000 . 1 . . . . . 16 C H1' . 50933 1
88 . 1 . 1 16 16 C H5 H 1 5.2046 0.0000 . 1 . . . . . 16 C H5 . 50933 1
89 . 1 . 1 16 16 C H6 H 1 7.5922 0.0000 . 1 . . . . . 16 C H6 . 50933 1
90 . 1 . 1 16 16 C H41 H 1 8.4032 0.0000 . 2 . . . . . 16 C H41 . 50933 1
91 . 1 . 1 16 16 C H42 H 1 6.7861 0.0000 . 2 . . . . . 16 C H42 . 50933 1
92 . 1 . 1 16 16 C C6 C 13 140.5971 0.0000 . 1 . . . . . 16 C C6 . 50933 1
93 . 1 . 1 17 17 A H1' H 1 5.9442 0.0000 . 1 . . . . . 17 A H1' . 50933 1
94 . 1 . 1 17 17 A H2 H 1 7.3393 0.0000 . 1 . . . . . 17 A H2 . 50933 1
95 . 1 . 1 17 17 A H2' H 1 4.5360 0.0000 . 1 . . . . . 17 A H2' . 50933 1
96 . 1 . 1 17 17 A H3' H 1 4.6258 0.0000 . 1 . . . . . 17 A H3' . 50933 1
97 . 1 . 1 17 17 A H8 H 1 8.0146 0.0000 . 1 . . . . . 17 A H8 . 50933 1
98 . 1 . 1 17 17 A C2 C 13 153.1832 0.0000 . 1 . . . . . 17 A C2 . 50933 1
99 . 1 . 1 17 17 A C8 C 13 139.4485 0.0000 . 1 . . . . . 17 A C8 . 50933 1
100 . 1 . 1 18 18 U H1' H 1 5.5022 0.0000 . 1 . . . . . 18 U H1' . 50933 1
101 . 1 . 1 18 18 U H2' H 1 4.3280 0.0000 . 1 . . . . . 18 U H2' . 50933 1
102 . 1 . 1 18 18 U H3 H 1 14.0045 0.0000 . 1 . . . . . 18 U H3 . 50933 1
103 . 1 . 1 18 18 U H3' H 1 4.4381 0.0000 . 1 . . . . . 18 U H3' . 50933 1
104 . 1 . 1 18 18 U H5 H 1 5.0342 0.0000 . 1 . . . . . 18 U H5 . 50933 1
105 . 1 . 1 18 18 U H6 H 1 7.6683 0.0000 . 1 . . . . . 18 U H6 . 50933 1
106 . 1 . 1 18 18 U C6 C 13 141.6746 0.0000 . 1 . . . . . 18 U C6 . 50933 1
107 . 1 . 1 19 19 U H1' H 1 5.6533 0.0000 . 1 . . . . . 19 U H1' . 50933 1
108 . 1 . 1 19 19 U H2' H 1 4.4601 0.0000 . 1 . . . . . 19 U H2' . 50933 1
109 . 1 . 1 19 19 U H3 H 1 13.7006 0.0000 . 1 . . . . . 19 U H3 . 50933 1
110 . 1 . 1 19 19 U H3' H 1 4.5189 0.0000 . 1 . . . . . 19 U H3' . 50933 1
111 . 1 . 1 19 19 U H5 H 1 5.5198 0.0000 . 1 . . . . . 19 U H5 . 50933 1
112 . 1 . 1 19 19 U H6 H 1 7.9761 0.0000 . 1 . . . . . 19 U H6 . 50933 1
113 . 1 . 1 19 19 U C6 C 13 142.4810 0.0000 . 1 . . . . . 19 U C6 . 50933 1
114 . 1 . 1 20 20 C H1' H 1 5.5251 0.0000 . 1 . . . . . 20 C H1' . 50933 1
115 . 1 . 1 20 20 C H2' H 1 4.3021 0.0000 . 1 . . . . . 20 C H2' . 50933 1
116 . 1 . 1 20 20 C H3' H 1 4.4595 0.0000 . 1 . . . . . 20 C H3' . 50933 1
117 . 1 . 1 20 20 C H5 H 1 5.6217 0.0000 . 1 . . . . . 20 C H5 . 50933 1
118 . 1 . 1 20 20 C H6 H 1 7.8768 0.0000 . 1 . . . . . 20 C H6 . 50933 1
119 . 1 . 1 20 20 C H41 H 1 8.3589 0.0000 . 2 . . . . . 20 C H41 . 50933 1
120 . 1 . 1 20 20 C H42 H 1 6.8941 0.0000 . 2 . . . . . 20 C H42 . 50933 1
121 . 1 . 1 20 20 C C6 C 13 141.6832 0.0000 . 1 . . . . . 20 C C6 . 50933 1
122 . 1 . 1 21 21 C H1' H 1 5.4511 0.0000 . 1 . . . . . 21 C H1' . 50933 1
123 . 1 . 1 21 21 C H2' H 1 4.2298 0.0000 . 1 . . . . . 21 C H2' . 50933 1
124 . 1 . 1 21 21 C H3' H 1 4.4676 0.0000 . 1 . . . . . 21 C H3' . 50933 1
125 . 1 . 1 21 21 C H5 H 1 5.4424 0.0000 . 1 . . . . . 21 C H5 . 50933 1
126 . 1 . 1 21 21 C H6 H 1 7.7879 0.0000 . 1 . . . . . 21 C H6 . 50933 1
127 . 1 . 1 21 21 C H41 H 1 8.3982 0.0000 . 2 . . . . . 21 C H41 . 50933 1
128 . 1 . 1 21 21 C H42 H 1 6.9101 0.0000 . 2 . . . . . 21 C H42 . 50933 1
129 . 1 . 1 21 21 C C6 C 13 141.5999 0.0000 . 1 . . . . . 21 C C6 . 50933 1
130 . 1 . 1 22 22 C H1' H 1 5.7348 0.0000 . 1 . . . . . 22 C H1' . 50933 1
131 . 1 . 1 22 22 C H2' H 1 3.9988 0.0000 . 1 . . . . . 22 C H2' . 50933 1
132 . 1 . 1 22 22 C H3' H 1 4.1688 0.0000 . 1 . . . . . 22 C H3' . 50933 1
133 . 1 . 1 22 22 C H5 H 1 5.4603 0.0000 . 1 . . . . . 22 C H5 . 50933 1
134 . 1 . 1 22 22 C H6 H 1 7.6641 0.0000 . 1 . . . . . 22 C H6 . 50933 1
135 . 1 . 1 22 22 C H41 H 1 8.2467 0.0000 . 2 . . . . . 22 C H41 . 50933 1
136 . 1 . 1 22 22 C H42 H 1 6.9319 0.0000 . 2 . . . . . 22 C H42 . 50933 1
137 . 1 . 1 22 22 C C6 C 13 141.5643 0.0000 . 1 . . . . . 22 C C6 . 50933 1
stop_
save_