Content for NMR-STAR saveframe, assigned_chemical_shifts_2
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 52888
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name non-exchangeables
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_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
3 '2D 1H-1H NOESY with excitation sculpting using gradients' . . . 52888 2
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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 . . 52888 2
2 $software_2 . . 52888 2
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_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 A H1' H 1 5.896 0.02 . 1 . . . . . 1 A H1' . 52888 2
2 . 1 . 1 1 1 A H2 H 1 8.032 0.02 . 1 . . . . . 1 A H2 . 52888 2
3 . 1 . 1 1 1 A H2' H 1 4.776 0.02 . 1 . . . . . 1 A H2' . 52888 2
4 . 1 . 1 1 1 A H8 H 1 8.372 0.02 . 1 . . . . . 1 A H8 . 52888 2
5 . 1 . 1 2 2 C H1' H 1 5.399 0.02 . 1 . . . . . 2 C H1' . 52888 2
6 . 1 . 1 2 2 C H5 H 1 5.268 0.02 . 1 . . . . . 2 C H5 . 52888 2
7 . 1 . 1 2 2 C H6 H 1 7.623 0.02 . 1 . . . . . 2 C H6 . 52888 2
8 . 1 . 1 3 3 U H1' H 1 5.504 0.02 . 1 . . . . . 3 U H1' . 52888 2
9 . 1 . 1 3 3 U H5 H 1 5.316 0.02 . 1 . . . . . 3 U H5 . 52888 2
10 . 1 . 1 3 3 U H6 H 1 7.795 0.02 . 1 . . . . . 3 U H6 . 52888 2
11 . 1 . 1 4 4 G H1' H 1 5.706 0.02 . 1 . . . . . 4 G H1' . 52888 2
12 . 1 . 1 4 4 G H8 H 1 7.583 0.02 . 1 . . . . . 4 G H8 . 52888 2
13 . 1 . 1 5 5 G H1' H 1 5.512 0.02 . 1 . . . . . 5 G H1' . 52888 2
14 . 1 . 1 5 5 G H8 H 1 7.092 0.02 . 1 . . . . . 5 G H8 . 52888 2
15 . 1 . 1 6 6 A H1' H 1 5.831 0.02 . 1 . . . . . 6 A H1' . 52888 2
16 . 1 . 1 6 6 A H2 H 1 7.585 0.02 . 1 . . . . . 6 A H2 . 52888 2
17 . 1 . 1 6 6 A H8 H 1 7.659 0.02 . 1 . . . . . 6 A H8 . 52888 2
18 . 1 . 1 7 7 C H1' H 1 5.213 0.02 . 1 . . . . . 7 C H1' . 52888 2
19 . 1 . 1 7 7 C H5 H 1 5.075 0.02 . 1 . . . . . 7 C H5 . 52888 2
20 . 1 . 1 7 7 C H6 H 1 7.259 0.02 . 1 . . . . . 7 C H6 . 52888 2
21 . 1 . 1 8 8 A H1' H 1 5.757 0.02 . 1 . . . . . 8 A H1' . 52888 2
22 . 1 . 1 8 8 A H2 H 1 6.560 0.02 . 1 . . . . . 8 A H2 . 52888 2
23 . 1 . 1 8 8 A H8 H 1 7.829 0.02 . 1 . . . . . 8 A H8 . 52888 2
24 . 1 . 1 9 9 A H1' H 1 5.689 0.02 . 1 . . . . . 9 A H1' . 52888 2
25 . 1 . 1 9 9 A H2 H 1 7.018 0.02 . 1 . . . . . 9 A H2 . 52888 2
26 . 1 . 1 9 9 A H8 H 1 7.613 0.02 . 1 . . . . . 9 A H8 . 52888 2
27 . 1 . 1 10 10 A H1' H 1 5.764 0.02 . 1 . . . . . 10 A H1' . 52888 2
28 . 1 . 1 10 10 A H2 H 1 7.557 0.02 . 1 . . . . . 10 A H2 . 52888 2
29 . 1 . 1 10 10 A H8 H 1 7.660 0.02 . 1 . . . . . 10 A H8 . 52888 2
30 . 1 . 1 11 11 U H1' H 1 5.325 0.02 . 1 . . . . . 11 U H1' . 52888 2
31 . 1 . 1 11 11 U H5 H 1 4.937 0.02 . 1 . . . . . 11 U H5 . 52888 2
32 . 1 . 1 11 11 U H6 H 1 7.470 0.02 . 1 . . . . . 11 U H6 . 52888 2
33 . 1 . 1 12 12 A H1' H 1 5.915 0.02 . 1 . . . . . 12 A H1' . 52888 2
34 . 1 . 1 12 12 A H2 H 1 7.066 0.02 . 1 . . . . . 12 A H2 . 52888 2
35 . 1 . 1 12 12 A H8 H 1 8.028 0.02 . 1 . . . . . 12 A H8 . 52888 2
36 . 1 . 1 13 13 C H1' H 1 5.279 0.02 . 1 . . . . . 13 C H1' . 52888 2
37 . 1 . 1 13 13 C H5 H 1 5.106 0.02 . 1 . . . . . 13 C H5 . 52888 2
38 . 1 . 1 13 13 C H6 H 1 7.442 0.02 . 1 . . . . . 13 C H6 . 52888 2
39 . 1 . 1 14 14 U H1' H 1 5.444 0.02 . 1 . . . . . 14 U H1' . 52888 2
40 . 1 . 1 14 14 U H5 H 1 5.225 0.02 . 1 . . . . . 14 U H5 . 52888 2
41 . 1 . 1 14 14 U H6 H 1 7.797 0.02 . 1 . . . . . 14 U H6 . 52888 2
42 . 1 . 1 15 15 C H1' H 1 5.465 0.02 . 1 . . . . . 15 C H1' . 52888 2
43 . 1 . 1 15 15 C H5 H 1 5.532 0.02 . 1 . . . . . 15 C H5 . 52888 2
44 . 1 . 1 15 15 C H6 H 1 7.782 0.02 . 1 . . . . . 15 C H6 . 52888 2
45 . 1 . 1 16 16 C H1' H 1 5.334 0.02 . 1 . . . . . 16 C H1' . 52888 2
46 . 1 . 1 16 16 C H5 H 1 5.360 0.02 . 1 . . . . . 16 C H5 . 52888 2
47 . 1 . 1 16 16 C H6 H 1 7.619 0.02 . 1 . . . . . 16 C H6 . 52888 2
48 . 1 . 1 17 17 G H1' H 1 5.555 0.02 . 1 . . . . . 17 G H1' . 52888 2
49 . 1 . 1 17 17 G H8 H 1 7.453 0.02 . 1 . . . . . 17 G H8 . 52888 2
50 . 1 . 1 18 18 A H1' H 1 5.846 0.02 . 1 . . . . . 18 A H1' . 52888 2
51 . 1 . 1 18 18 A H2 H 1 7.369 0.02 . 1 . . . . . 18 A H2 . 52888 2
52 . 1 . 1 18 18 A H8 H 1 7.730 0.02 . 1 . . . . . 18 A H8 . 52888 2
53 . 1 . 1 19 19 G H1' H 1 5.448 0.02 . 1 . . . . . 19 G H1' . 52888 2
54 . 1 . 1 19 19 G H8 H 1 6.946 0.02 . 1 . . . . . 19 G H8 . 52888 2
55 . 1 . 1 20 20 G H1' H 1 5.765 0.02 . 1 . . . . . 20 G H1' . 52888 2
56 . 1 . 1 20 20 G H8 H 1 7.181 0.02 . 1 . . . . . 20 G H8 . 52888 2
57 . 2 . 2 1 1 C H1' H 1 5.523 0.02 . 1 . . . . . 21 C H1' . 52888 2
58 . 2 . 2 1 1 C H5 H 1 5.982 0.02 . 1 . . . . . 21 C H5 . 52888 2
59 . 2 . 2 1 1 C H6 H 1 8.097 0.02 . 1 . . . . . 21 C H6 . 52888 2
60 . 2 . 2 2 2 C H1' H 1 5.550 0.02 . 1 . . . . . 22 C H1' . 52888 2
61 . 2 . 2 2 2 C H5 H 1 5.572 0.02 . 1 . . . . . 22 C H5 . 52888 2
62 . 2 . 2 2 2 C H6 H 1 7.961 0.02 . 1 . . . . . 22 C H6 . 52888 2
63 . 2 . 2 3 3 U H1' H 1 5.473 0.02 . 1 . . . . . 23 U H1' . 52888 2
64 . 2 . 2 3 3 U H5 H 1 5.373 0.02 . 1 . . . . . 23 U H5 . 52888 2
65 . 2 . 2 3 3 U H6 H 1 7.862 0.02 . 1 . . . . . 23 U H6 . 52888 2
66 . 2 . 2 4 4 C H1' H 1 5.507 0.02 . 1 . . . . . 24 C H1' . 52888 2
67 . 2 . 2 4 4 C H5 H 1 5.567 0.02 . 1 . . . . . 24 C H5 . 52888 2
68 . 2 . 2 4 4 C H6 H 1 7.757 0.02 . 1 . . . . . 24 C H6 . 52888 2
69 . 2 . 2 5 5 G H1' H 1 5.557 0.02 . 1 . . . . . 25 G H1' . 52888 2
70 . 2 . 2 5 5 G H8 H 1 7.397 0.02 . 1 . . . . . 25 G H8 . 52888 2
71 . 2 . 2 6 6 G H1' H 1 5.587 0.02 . 1 . . . . . 26 G H1' . 52888 2
72 . 2 . 2 6 6 G H8 H 1 7.070 0.02 . 1 . . . . . 26 G H8 . 52888 2
73 . 2 . 2 7 7 A H1' H 1 5.846 0.02 . 1 . . . . . 27 A H1' . 52888 2
74 . 2 . 2 7 7 A H2 H 1 7.376 0.02 . 1 . . . . . 27 A H2 . 52888 2
75 . 2 . 2 7 7 A H8 H 1 7.549 0.02 . 1 . . . . . 27 A H8 . 52888 2
76 . 2 . 2 8 8 G H1' H 1 5.491 0.02 . 1 . . . . . 28 G H1' . 52888 2
77 . 2 . 2 8 8 G H8 H 1 7.009 0.02 . 1 . . . . . 28 G H8 . 52888 2
78 . 2 . 2 9 9 U H1' H 1 5.443 0.02 . 1 . . . . . 29 U H1' . 52888 2
79 . 2 . 2 9 9 U H5 H 1 4.993 0.02 . 1 . . . . . 29 U H5 . 52888 2
80 . 2 . 2 9 9 U H6 H 1 7.618 0.02 . 1 . . . . . 29 U H6 . 52888 2
81 . 2 . 2 10 10 A H1' H 1 5.912 0.02 . 1 . . . . . 30 A H1' . 52888 2
82 . 2 . 2 10 10 A H2 H 1 6.988 0.02 . 1 . . . . . 30 A H2 . 52888 2
83 . 2 . 2 10 10 A H8 H 1 8.048 0.02 . 1 . . . . . 30 A H8 . 52888 2
84 . 2 . 2 11 11 U H1' H 1 5.339 0.02 . 1 . . . . . 31 U H1' . 52888 2
85 . 2 . 2 11 11 U H5 H 1 4.930 0.02 . 1 . . . . . 31 U H5 . 52888 2
86 . 2 . 2 11 11 U H6 H 1 7.533 0.02 . 1 . . . . . 31 U H6 . 52888 2
87 . 2 . 2 12 12 U H1' H 1 5.528 0.02 . 1 . . . . . 32 U H1' . 52888 2
88 . 2 . 2 12 12 U H5 H 1 5.404 0.02 . 1 . . . . . 32 U H5 . 52888 2
89 . 2 . 2 12 12 U H6 H 1 7.855 0.02 . 1 . . . . . 32 U H6 . 52888 2
90 . 2 . 2 13 13 U H1' H 1 5.505 0.02 . 1 . . . . . 33 U H1' . 52888 2
91 . 2 . 2 13 13 U H5 H 1 5.465 0.02 . 1 . . . . . 33 U H5 . 52888 2
92 . 2 . 2 13 13 U H6 H 1 7.847 0.02 . 1 . . . . . 33 U H6 . 52888 2
93 . 2 . 2 14 14 G H1' H 1 5.643 0.02 . 1 . . . . . 34 G H1' . 52888 2
94 . 2 . 2 14 14 G H8 H 1 7.660 0.02 . 1 . . . . . 34 G H8 . 52888 2
95 . 2 . 2 15 15 U H1' H 1 5.404 0.02 . 1 . . . . . 35 U H1' . 52888 2
96 . 2 . 2 15 15 U H5 H 1 4.966 0.02 . 1 . . . . . 35 U H5 . 52888 2
97 . 2 . 2 15 15 U H6 H 1 7.708 0.02 . 1 . . . . . 35 U H6 . 52888 2
98 . 2 . 2 16 16 C H1' H 1 5.443 0.02 . 1 . . . . . 36 C H1' . 52888 2
99 . 2 . 2 16 16 C H5 H 1 5.523 0.02 . 1 . . . . . 36 C H5 . 52888 2
100 . 2 . 2 16 16 C H6 H 1 7.775 0.02 . 1 . . . . . 36 C H6 . 52888 2
101 . 2 . 2 17 17 C H1' H 1 5.290 0.02 . 1 . . . . . 37 C H1' . 52888 2
102 . 2 . 2 17 17 C H5 H 1 5.411 0.02 . 1 . . . . . 37 C H5 . 52888 2
103 . 2 . 2 17 17 C H6 H 1 7.647 0.02 . 1 . . . . . 37 C H6 . 52888 2
104 . 2 . 2 18 18 A H1' H 1 5.787 0.02 . 1 . . . . . 38 A H1' . 52888 2
105 . 2 . 2 18 18 A H2 H 1 6.991 0.02 . 1 . . . . . 38 A H2 . 52888 2
106 . 2 . 2 18 18 A H8 H 1 7.923 0.02 . 1 . . . . . 38 A H8 . 52888 2
107 . 2 . 2 19 19 G H1' H 1 5.508 0.02 . 1 . . . . . 39 G H1' . 52888 2
108 . 2 . 2 19 19 G H8 H 1 7.118 0.02 . 1 . . . . . 39 G H8 . 52888 2
109 . 2 . 2 20 20 U H1' H 1 5.703 0.02 . 1 . . . . . 40 U H1' . 52888 2
110 . 2 . 2 20 20 U H5 H 1 5.079 0.02 . 1 . . . . . 40 U H5 . 52888 2
111 . 2 . 2 20 20 U H6 H 1 7.492 0.02 . 1 . . . . . 40 U H6 . 52888 2
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