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 30700
_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 'D2O 2D 1H-1H NOESY' . . . 30700 1
2 'H2O 2D 1H-1H NOESY' . . . 30700 1
3 'D2O 2D DQF-COSY' . . . 30700 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 C H1' H 1 5.522 0.00 . . . . . . A 1 C H1' . 30700 1
2 . 1 . 1 1 1 C H2' H 1 4.420 0.00 . . . . . . A 1 C H2' . 30700 1
3 . 1 . 1 1 1 C H3' H 1 4.483 0.00 . . . . . . A 1 C H3' . 30700 1
4 . 1 . 1 1 1 C H5 H 1 5.991 0.00 . . . . . . A 1 C H5 . 30700 1
5 . 1 . 1 1 1 C H6 H 1 8.130 0.00 . . . . . . A 1 C H6 . 30700 1
6 . 1 . 1 2 2 C H1' H 1 5.587 0.00 . . . . . . A 2 C H1' . 30700 1
7 . 1 . 1 2 2 C H2' H 1 4.597 0.00 . . . . . . A 2 C H2' . 30700 1
8 . 1 . 1 2 2 C H3' H 1 4.685 0.00 . . . . . . A 2 C H3' . 30700 1
9 . 1 . 1 2 2 C H5 H 1 5.585 0.00 . . . . . . A 2 C H5 . 30700 1
10 . 1 . 1 2 2 C H6 H 1 7.971 0.00 . . . . . . A 2 C H6 . 30700 1
11 . 1 . 1 3 3 G H1' H 1 5.742 0.00 . . . . . . A 3 G H1' . 30700 1
12 . 1 . 1 3 3 G H2' H 1 4.570 0.00 . . . . . . A 3 G H2' . 30700 1
13 . 1 . 1 3 3 G H3' H 1 4.506 0.00 . . . . . . A 3 G H3' . 30700 1
14 . 1 . 1 3 3 G H8 H 1 7.645 0.00 . . . . . . A 3 G H8 . 30700 1
15 . 1 . 1 4 4 G H1' H 1 5.732 0.00 . . . . . . A 4 G H1' . 30700 1
16 . 1 . 1 4 4 G H2' H 1 4.542 0.00 . . . . . . A 4 G H2' . 30700 1
17 . 1 . 1 4 4 G H3' H 1 4.377 0.00 . . . . . . A 4 G H3' . 30700 1
18 . 1 . 1 4 4 G H8 H 1 7.221 0.00 . . . . . . A 4 G H8 . 30700 1
19 . 1 . 1 5 5 C H1' H 1 5.597 0.00 . . . . . . A 5 C H1' . 30700 1
20 . 1 . 1 5 5 C H2' H 1 4.152 0.00 . . . . . . A 5 C H2' . 30700 1
21 . 1 . 1 5 5 C H3' H 1 4.449 0.00 . . . . . . A 5 C H3' . 30700 1
22 . 1 . 1 5 5 C H5 H 1 5.308 0.00 . . . . . . A 5 C H5 . 30700 1
23 . 1 . 1 5 5 C H6 H 1 7.466 0.00 . . . . . . A 5 C H6 . 30700 1
24 . 1 . 1 6 6 A H1' H 1 6.020 0.00 . . . . . . A 6 A H1' . 30700 1
25 . 1 . 1 6 6 A H2' H 1 4.489 0.00 . . . . . . A 6 A H2' . 30700 1
26 . 1 . 1 6 6 A H3' H 1 4.812 0.00 . . . . . . A 6 A H3' . 30700 1
27 . 1 . 1 6 6 A H8 H 1 8.277 0.00 . . . . . . A 6 A H8 . 30700 1
28 . 1 . 1 7 7 G H1' H 1 5.632 0.00 . . . . . . A 7 G H1' . 30700 1
29 . 1 . 1 7 7 G H2' H 1 4.638 0.00 . . . . . . A 7 G H2' . 30700 1
30 . 1 . 1 7 7 G H3' H 1 4.510 0.00 . . . . . . A 7 G H3' . 30700 1
31 . 1 . 1 7 7 G H8 H 1 7.722 0.00 . . . . . . A 7 G H8 . 30700 1
32 . 1 . 1 8 8 U H1' H 1 5.591 0.00 . . . . . . A 8 U H1' . 30700 1
33 . 1 . 1 8 8 U H2' H 1 4.687 0.00 . . . . . . A 8 U H2' . 30700 1
34 . 1 . 1 8 8 U H3' H 1 4.547 0.00 . . . . . . A 8 U H3' . 30700 1
35 . 1 . 1 8 8 U H5 H 1 5.029 0.00 . . . . . . A 8 U H5 . 30700 1
36 . 1 . 1 8 8 U H6 H 1 7.767 0.00 . . . . . . A 8 U H6 . 30700 1
37 . 1 . 1 9 9 G H1' H 1 5.797 0.00 . . . . . . A 9 G H1' . 30700 1
38 . 1 . 1 9 9 G H2' H 1 4.440 0.00 . . . . . . A 9 G H2' . 30700 1
39 . 1 . 1 9 9 G H3' H 1 4.541 0.00 . . . . . . A 9 G H3' . 30700 1
40 . 1 . 1 9 9 G H8 H 1 7.690 0.00 . . . . . . A 9 G H8 . 30700 1
41 . 1 . 1 10 10 U H1' H 1 5.443 0.00 . . . . . . A 10 U H1' . 30700 1
42 . 1 . 1 10 10 U H2' H 1 4.290 0.00 . . . . . . A 10 U H2' . 30700 1
43 . 1 . 1 10 10 U H3' H 1 4.481 0.00 . . . . . . A 10 U H3' . 30700 1
44 . 1 . 1 10 10 U H5 H 1 5.114 0.00 . . . . . . A 10 U H5 . 30700 1
45 . 1 . 1 10 10 U H6 H 1 7.661 0.00 . . . . . . A 10 U H6 . 30700 1
46 . 1 . 1 11 11 G H1' H 1 5.846 0.00 . . . . . . A 11 G H1' . 30700 1
47 . 1 . 1 11 11 G H2' H 1 4.095 0.00 . . . . . . A 11 G H2' . 30700 1
48 . 1 . 1 11 11 G H3' H 1 4.322 0.00 . . . . . . A 11 G H3' . 30700 1
49 . 1 . 1 11 11 G H8 H 1 7.671 0.00 . . . . . . A 11 G H8 . 30700 1
50 . 2 . 2 1 1 C H1' H 1 5.431 0.00 . . . . . . B 12 C H1' . 30700 1
51 . 2 . 2 1 1 C H2' H 1 4.473 0.00 . . . . . . B 12 C H2' . 30700 1
52 . 2 . 2 1 1 C H3' H 1 4.546 0.00 . . . . . . B 12 C H3' . 30700 1
53 . 2 . 2 1 1 C H5 H 1 5.917 0.00 . . . . . . B 12 C H5 . 30700 1
54 . 2 . 2 1 1 C H6 H 1 8.070 0.00 . . . . . . B 12 C H6 . 30700 1
55 . 2 . 2 2 2 A H1' H 1 5.932 0.00 . . . . . . B 13 A H1' . 30700 1
56 . 2 . 2 2 2 A H2 H 1 7.470 0.00 . . . . . . B 13 A H2 . 30700 1
57 . 2 . 2 2 2 A H2' H 1 4.497 0.00 . . . . . . B 13 A H2' . 30700 1
58 . 2 . 2 2 2 A H3' H 1 4.814 0.00 . . . . . . B 13 A H3' . 30700 1
59 . 2 . 2 2 2 A H8 H 1 8.238 0.00 . . . . . . B 13 A H8 . 30700 1
60 . 2 . 2 3 3 C H1' H 1 5.407 0.00 . . . . . . B 14 C H1' . 30700 1
61 . 2 . 2 3 3 C H2' H 1 4.239 0.00 . . . . . . B 14 C H2' . 30700 1
62 . 2 . 2 3 3 C H3' H 1 4.406 0.00 . . . . . . B 14 C H3' . 30700 1
63 . 2 . 2 3 3 C H5 H 1 5.210 0.00 . . . . . . B 14 C H5 . 30700 1
64 . 2 . 2 3 3 C H6 H 1 7.630 0.00 . . . . . . B 14 C H6 . 30700 1
65 . 2 . 2 4 4 A H1' H 1 5.913 0.00 . . . . . . B 15 A H1' . 30700 1
66 . 2 . 2 4 4 A H2 H 1 7.415 0.00 . . . . . . B 15 A H2 . 30700 1
67 . 2 . 2 4 4 A H2' H 1 4.455 0.00 . . . . . . B 15 A H2' . 30700 1
68 . 2 . 2 4 4 A H3' H 1 4.692 0.00 . . . . . . B 15 A H3' . 30700 1
69 . 2 . 2 4 4 A H8 H 1 8.020 0.00 . . . . . . B 15 A H8 . 30700 1
70 . 2 . 2 5 5 C H1' H 1 5.469 0.00 . . . . . . B 16 C H1' . 30700 1
71 . 2 . 2 5 5 C H2' H 1 4.305 0.00 . . . . . . B 16 C H2' . 30700 1
72 . 2 . 2 5 5 C H3' H 1 4.370 0.00 . . . . . . B 16 C H3' . 30700 1
73 . 2 . 2 5 5 C H5 H 1 5.270 0.00 . . . . . . B 16 C H5 . 30700 1
74 . 2 . 2 5 5 C H6 H 1 7.368 0.00 . . . . . . B 16 C H6 . 30700 1
75 . 2 . 2 6 6 G H1' H 1 5.619 0.00 . . . . . . B 17 G H1' . 30700 1
76 . 2 . 2 6 6 G H2' H 1 4.565 0.00 . . . . . . B 17 G H2' . 30700 1
77 . 2 . 2 6 6 G H8 H 1 7.543 0.00 . . . . . . B 17 G H8 . 30700 1
78 . 2 . 2 7 7 U H1' H 1 5.375 0.00 . . . . . . B 18 U H1' . 30700 1
79 . 2 . 2 7 7 U H2' H 1 4.054 0.00 . . . . . . B 18 U H2' . 30700 1
80 . 2 . 2 7 7 U H3' H 1 4.498 0.00 . . . . . . B 18 U H3' . 30700 1
81 . 2 . 2 7 7 U H5 H 1 5.431 0.00 . . . . . . B 18 U H5 . 30700 1
82 . 2 . 2 7 7 U H6 H 1 7.845 0.00 . . . . . . B 18 U H6 . 30700 1
83 . 2 . 2 8 8 C H1' H 1 5.597 0.00 . . . . . . B 19 C H1' . 30700 1
84 . 2 . 2 8 8 C H2' H 1 4.507 0.00 . . . . . . B 19 C H2' . 30700 1
85 . 2 . 2 8 8 C H5 H 1 5.576 0.00 . . . . . . B 19 C H5 . 30700 1
86 . 2 . 2 8 8 C H6 H 1 7.954 0.00 . . . . . . B 19 C H6 . 30700 1
87 . 2 . 2 9 9 G H1' H 1 5.594 0.00 . . . . . . B 20 G H1' . 30700 1
88 . 2 . 2 9 9 G H2' H 1 4.494 0.00 . . . . . . B 20 G H2' . 30700 1
89 . 2 . 2 9 9 G H3' H 1 4.439 0.00 . . . . . . B 20 G H3' . 30700 1
90 . 2 . 2 9 9 G H8 H 1 7.432 0.00 . . . . . . B 20 G H8 . 30700 1
91 . 2 . 2 10 10 G H1' H 1 5.797 0.00 . . . . . . B 21 G H1' . 30700 1
92 . 2 . 2 10 10 G H2' H 1 4.038 0.00 . . . . . . B 21 G H2' . 30700 1
93 . 2 . 2 10 10 G H3' H 1 4.208 0.00 . . . . . . B 21 G H3' . 30700 1
94 . 2 . 2 10 10 G H8 H 1 7.310 0.00 . . . . . . B 21 G H8 . 30700 1
95 . 3 . 3 1 1 QSY H16 H 1 2.144 0.00 . . . . . . B 101 QSY H16 . 30700 1
96 . 3 . 3 1 1 QSY H17 H 1 2.144 0.00 . . . . . . B 101 QSY H17 . 30700 1
97 . 3 . 3 1 1 QSY H18 H 1 2.144 0.00 . . . . . . B 101 QSY H18 . 30700 1
98 . 3 . 3 1 1 QSY H4 H 1 3.666 0.00 . . . . . . B 101 QSY H4 . 30700 1
99 . 3 . 3 1 1 QSY H5 H 1 3.666 0.00 . . . . . . B 101 QSY H5 . 30700 1
100 . 3 . 3 1 1 QSY H6 H 1 3.666 0.00 . . . . . . B 101 QSY H6 . 30700 1
101 . 3 . 3 1 1 QSY H1 H 1 6.787 0.00 . . . . . . B 101 QSY H1 . 30700 1
102 . 3 . 3 1 1 QSY H2 H 1 7.190 0.00 . . . . . . B 101 QSY H2 . 30700 1
103 . 3 . 3 1 1 QSY H3 H 1 7.068 0.00 . . . . . . B 101 QSY H3 . 30700 1
104 . 3 . 3 1 1 QSY H8 H 1 7.974 0.00 . . . . . . B 101 QSY H8 . 30700 1
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save_