Content for NMR-STAR saveframe, assigned_chemical_shifts_1
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 36545
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 NOESY' 1 $sample_1 isotropic 36545 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36545 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 5.749 0.002 . 1 . . . . A 1 G H1' . 36545 1
2 . 1 . 1 1 1 G H5' H 1 4.025 0.000 . 1 . . . . A 1 G H5' . 36545 1
3 . 1 . 1 1 1 G H5'' H 1 3.910 0.000 . 1 . . . . A 1 G H5'' . 36545 1
4 . 1 . 1 1 1 G H8 H 1 8.013 0.0024 . 1 . . . . A 1 G H8 . 36545 1
5 . 1 . 1 2 2 G H1 H 1 12.530 0.004 . 1 . . . . A 2 G H1 . 36545 1
6 . 1 . 1 2 2 G H1' H 1 5.890 0.0005 . 1 . . . . A 2 G H1' . 36545 1
7 . 1 . 1 2 2 G H8 H 1 7.473 0.0011 . 1 . . . . A 2 G H8 . 36545 1
8 . 1 . 1 3 3 A H1' H 1 6.017 0.0031 . 1 . . . . A 3 A H1' . 36545 1
9 . 1 . 1 3 3 A H2 H 1 7.814 0.0042 . 1 . . . . A 3 A H2 . 36545 1
10 . 1 . 1 3 3 A H8 H 1 7.826 0.0025 . 1 . . . . A 3 A H8 . 36545 1
11 . 1 . 1 4 4 U H1' H 1 5.820 0.0022 . 1 . . . . A 4 U H1' . 36545 1
12 . 1 . 1 4 4 U H2' H 1 4.329 0.0005 . 1 . . . . A 4 U H2' . 36545 1
13 . 1 . 1 4 4 U H3 H 1 13.280 0.0005 . 1 . . . . A 4 U H3 . 36545 1
14 . 1 . 1 4 4 U H3' H 1 4.487 0.000 . 1 . . . . A 4 U H3' . 36545 1
15 . 1 . 1 4 4 U H5 H 1 5.197 0.0014 . 1 . . . . A 4 U H5 . 36545 1
16 . 1 . 1 4 4 U H6 H 1 7.576 0.0048 . 1 . . . . A 4 U H6 . 36545 1
17 . 1 . 1 5 5 G H1 H 1 12.380 0.0034 . 1 . . . . A 5 G H1 . 36545 1
18 . 1 . 1 5 5 G H1' H 1 5.721 0.0038 . 1 . . . . A 5 G H1' . 36545 1
19 . 1 . 1 5 5 G H8 H 1 7.890 0.0047 . 1 . . . . A 5 G H8 . 36545 1
20 . 1 . 1 6 6 C H1' H 1 5.293 0.005 . 1 . . . . A 6 C H1' . 36545 1
21 . 1 . 1 6 6 C H41 H 1 8.590 0.0029 . 1 . . . . A 6 C H41 . 36545 1
22 . 1 . 1 6 6 C H42 H 1 6.734 0.0019 . 1 . . . . A 6 C H42 . 36545 1
23 . 1 . 1 6 6 C H5 H 1 5.184 0.0016 . 1 . . . . A 6 C H5 . 36545 1
24 . 1 . 1 6 6 C H6 H 1 7.482 0.0023 . 1 . . . . A 6 C H6 . 36545 1
25 . 1 . 1 7 7 U H1' H 1 5.522 0.0042 . 1 . . . . A 7 U H1' . 36545 1
26 . 1 . 1 7 7 U H3 H 1 14.270 0.0015 . 1 . . . . A 7 U H3 . 36545 1
27 . 1 . 1 7 7 U H5 H 1 5.384 0.002 . 1 . . . . A 7 U H5 . 36545 1
28 . 1 . 1 7 7 U H6 H 1 7.755 0.0011 . 1 . . . . A 7 U H6 . 36545 1
29 . 1 . 1 8 8 U H1' H 1 5.261 0.0059 . 1 . . . . A 8 U H1' . 36545 1
30 . 1 . 1 8 8 U H2' H 1 3.714 0.0018 . 1 . . . . A 8 U H2' . 36545 1
31 . 1 . 1 8 8 U H5 H 1 5.807 0.0025 . 1 . . . . A 8 U H5 . 36545 1
32 . 1 . 1 8 8 U H6 H 1 7.762 0.003 . 1 . . . . A 8 U H6 . 36545 1
33 . 1 . 1 9 9 U H1' H 1 6.080 0.0024 . 1 . . . . A 9 U H1' . 36545 1
34 . 1 . 1 9 9 U H2' H 1 4.652 0.0025 . 1 . . . . A 9 U H2' . 36545 1
35 . 1 . 1 9 9 U H3' H 1 3.979 0.001 . 1 . . . . A 9 U H3' . 36545 1
36 . 1 . 1 9 9 U H5 H 1 5.840 0.001 . 1 . . . . A 9 U H5 . 36545 1
37 . 1 . 1 9 9 U H6 H 1 7.986 0.0024 . 1 . . . . A 9 U H6 . 36545 1
38 . 1 . 1 10 10 C H1' H 1 5.906 0.0029 . 1 . . . . A 10 C H1' . 36545 1
39 . 1 . 1 10 10 C H2' H 1 4.075 0.0045 . 1 . . . . A 10 C H2' . 36545 1
40 . 1 . 1 10 10 C H3' H 1 4.451 0.0005 . 1 . . . . A 10 C H3' . 36545 1
41 . 1 . 1 10 10 C H4' H 1 3.723 0.0041 . 1 . . . . A 10 C H4' . 36545 1
42 . 1 . 1 10 10 C H41 H 1 7.118 0.0053 . 1 . . . . A 10 C H41 . 36545 1
43 . 1 . 1 10 10 C H42 H 1 6.360 0.0005 . 1 . . . . A 10 C H42 . 36545 1
44 . 1 . 1 10 10 C H5 H 1 6.108 0.0025 . 1 . . . . A 10 C H5 . 36545 1
45 . 1 . 1 10 10 C H5' H 1 3.586 0.0029 . 1 . . . . A 10 C H5' . 36545 1
46 . 1 . 1 10 10 C H5'' H 1 2.671 0.0046 . 1 . . . . A 10 C H5'' . 36545 1
47 . 1 . 1 10 10 C H6 H 1 7.649 0.0038 . 1 . . . . A 10 C H6 . 36545 1
48 . 1 . 1 11 11 G H1 H 1 9.586 0.001 . 1 . . . . A 11 G H1 . 36545 1
49 . 1 . 1 11 11 G H1' H 1 5.949 0.000 . 1 . . . . A 11 G H1' . 36545 1
50 . 1 . 1 11 11 G H8 H 1 7.852 0.0012 . 1 . . . . A 11 G H8 . 36545 1
51 . 1 . 1 12 12 A H1' H 1 5.670 0.000 . 1 . . . . A 12 A H1' . 36545 1
52 . 1 . 1 12 12 A H2 H 1 7.408 0.0038 . 1 . . . . A 12 A H2 . 36545 1
53 . 1 . 1 12 12 A H8 H 1 8.625 0.000 . 1 . . . . A 12 A H8 . 36545 1
54 . 1 . 1 13 13 G H1 H 1 13.190 0.0041 . 1 . . . . A 13 G H1 . 36545 1
55 . 1 . 1 13 13 G H1' H 1 5.732 0.0017 . 1 . . . . A 13 G H1' . 36545 1
56 . 1 . 1 13 13 G H8 H 1 7.309 0.000 . 1 . . . . A 13 G H8 . 36545 1
57 . 1 . 1 14 14 C H1' H 1 5.705 0.000 . 1 . . . . A 14 C H1' . 36545 1
58 . 1 . 1 14 14 C H2' H 1 3.731 0.0019 . 1 . . . . A 14 C H2' . 36545 1
59 . 1 . 1 14 14 C H41 H 1 8.152 0.0036 . 1 . . . . A 14 C H41 . 36545 1
60 . 1 . 1 14 14 C H42 H 1 7.225 0.0045 . 1 . . . . A 14 C H42 . 36545 1
61 . 1 . 1 14 14 C H5 H 1 5.342 0.0004 . 1 . . . . A 14 C H5 . 36545 1
62 . 1 . 1 14 14 C H6 H 1 7.353 0.0024 . 1 . . . . A 14 C H6 . 36545 1
63 . 1 . 1 15 15 G H1' H 1 5.961 0.000 . 1 . . . . A 15 G H1' . 36545 1
64 . 1 . 1 15 15 G H8 H 1 8.043 0.0076 . 1 . . . . A 15 G H8 . 36545 1
65 . 1 . 1 16 16 A H1' H 1 5.638 0.0031 . 1 . . . . A 16 A H1' . 36545 1
66 . 1 . 1 16 16 A H2 H 1 7.251 0.0025 . 1 . . . . A 16 A H2 . 36545 1
67 . 1 . 1 16 16 A H8 H 1 8.282 0.0042 . 1 . . . . A 16 A H8 . 36545 1
68 . 1 . 1 17 17 U H1' H 1 5.503 0.0017 . 1 . . . . A 17 U H1' . 36545 1
69 . 1 . 1 17 17 U H3 H 1 14.300 0.000 . 1 . . . . A 17 U H3 . 36545 1
70 . 1 . 1 17 17 U H5 H 1 4.996 0.004 . 1 . . . . A 17 U H5 . 36545 1
71 . 1 . 1 17 17 U H6 H 1 7.649 0.0044 . 1 . . . . A 17 U H6 . 36545 1
72 . 1 . 1 18 18 C H1' H 1 5.583 0.0025 . 1 . . . . A 18 C H1' . 36545 1
73 . 1 . 1 18 18 C H2' H 1 4.407 0.0015 . 1 . . . . A 18 C H2' . 36545 1
74 . 1 . 1 18 18 C H41 H 1 8.440 0.004 . 1 . . . . A 18 C H41 . 36545 1
75 . 1 . 1 18 18 C H42 H 1 6.971 0.0017 . 1 . . . . A 18 C H42 . 36545 1
76 . 1 . 1 18 18 C H5 H 1 5.599 0.0025 . 1 . . . . A 18 C H5 . 36545 1
77 . 1 . 1 18 18 C H6 H 1 7.860 0.0021 . 1 . . . . A 18 C H6 . 36545 1
78 . 2 . 2 1 1 53D H10 H 1 6.846 0.0041 . 1 . . . . A 20 53D H10 . 36545 1
79 . 2 . 2 1 1 53D H11 H 1 1.700 0.0049 . 1 . . . . A 20 53D H11 . 36545 1
80 . 2 . 2 1 1 53D H121 H 1 0.400 0.0049 . 1 . . . . A 20 53D H121 . 36545 1
81 . 2 . 2 1 1 53D H122 H 1 0.400 0.0049 . 1 . . . . A 20 53D H122 . 36545 1
82 . 2 . 2 1 1 53D H131 H 1 0.121 0.0028 . 1 . . . . A 20 53D H131 . 36545 1
83 . 2 . 2 1 1 53D H132 H 1 -0.578 0.0031 . 1 . . . . A 20 53D H132 . 36545 1
84 . 2 . 2 1 1 53D H151 H 1 3.030 0.002 . 1 . . . . A 20 53D H151 . 36545 1
85 . 2 . 2 1 1 53D H152 H 1 3.107 0.0065 . 1 . . . . A 20 53D H152 . 36545 1
86 . 2 . 2 1 1 53D H161 H 1 2.861 0.0024 . 1 . . . . A 20 53D H161 . 36545 1
87 . 2 . 2 1 1 53D H162 H 1 2.861 0.0024 . 1 . . . . A 20 53D H162 . 36545 1
88 . 2 . 2 1 1 53D H181 H 1 3.680 0.0046 . 1 . . . . A 20 53D H181 . 36545 1
89 . 2 . 2 1 1 53D H182 H 1 3.680 0.0046 . 1 . . . . A 20 53D H182 . 36545 1
90 . 2 . 2 1 1 53D H191 H 1 3.540 0.000 . 1 . . . . A 20 53D H191 . 36545 1
91 . 2 . 2 1 1 53D H192 H 1 3.580 0.000 . 1 . . . . A 20 53D H192 . 36545 1
92 . 2 . 2 1 1 53D H201 H 1 3.264 0.0059 . 1 . . . . A 20 53D H201 . 36545 1
93 . 2 . 2 1 1 53D H202 H 1 3.264 0.0059 . 1 . . . . A 20 53D H202 . 36545 1
94 . 2 . 2 1 1 53D H211 H 1 1.364 0.0038 . 1 . . . . A 20 53D H211 . 36545 1
95 . 2 . 2 1 1 53D H212 H 1 1.364 0.0038 . 1 . . . . A 20 53D H212 . 36545 1
96 . 2 . 2 1 1 53D H213 H 1 1.364 0.0038 . 1 . . . . A 20 53D H213 . 36545 1
97 . 2 . 2 1 1 53D H23 H 1 10.140 0.0035 . 1 . . . . A 20 53D H23 . 36545 1
98 . 2 . 2 1 1 53D H241 H 1 3.575 0.0051 . 1 . . . . A 20 53D H241 . 36545 1
99 . 2 . 2 1 1 53D H242 H 1 3.494 0.0038 . 1 . . . . A 20 53D H242 . 36545 1
100 . 2 . 2 1 1 53D H251 H 1 2.146 0.0032 . 1 . . . . A 20 53D H251 . 36545 1
101 . 2 . 2 1 1 53D H252 H 1 2.146 0.0032 . 1 . . . . A 20 53D H252 . 36545 1
102 . 2 . 2 1 1 53D H261 H 1 3.314 0.0015 . 1 . . . . A 20 53D H261 . 36545 1
103 . 2 . 2 1 1 53D H262 H 1 3.314 0.0015 . 1 . . . . A 20 53D H262 . 36545 1
104 . 2 . 2 1 1 53D H6 H 1 7.896 0.0043 . 1 . . . . A 20 53D H6 . 36545 1
105 . 2 . 2 1 1 53D H7 H 1 6.287 0.0047 . 1 . . . . A 20 53D H7 . 36545 1
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save_