Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
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 25414
_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' . . . 25414 1
2 '2D 1H-1H NOESY' . . . 25414 1
3 '2D 1H-1H NOESY' . . . 25414 1
4 '2D 1H-1H NOESY' . . . 25414 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.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 5.620 0.005 6 1 . . . A 16 C H1' . 25414 1
2 . 1 1 1 1 C H2' H 1 4.495 0.005 4 1 . . . A 16 C H2' . 25414 1
3 . 1 1 1 1 C H3' H 1 4.460 0.005 3 1 . . . A 16 C H3' . 25414 1
4 . 1 1 1 1 C H4' H 1 4.395 0.01 1 1 . . . A 16 C H4' . 25414 1
5 . 1 1 1 1 C H5 H 1 6.040 0.01 1 1 . . . A 16 C H5 . 25414 1
6 . 1 1 1 1 C H5' H 1 4.120 0.005 1 4 . . . A 16 C H5' . 25414 1
7 . 1 1 1 1 C H5'' H 1 3.935 0.005 1 4 . . . A 16 C H5'' . 25414 1
8 . 1 1 1 1 C H6 H 1 8.130 0.005 7 1 . . . A 16 C H6 . 25414 1
9 . 1 1 1 1 C H41 H 1 8.550 0.005 4 1 . . . A 16 C H41 . 25414 1
10 . 1 1 1 1 C H42 H 1 7.102 0.005 6 1 . . . A 16 C H42 . 25414 1
11 . 1 1 2 2 C H1' H 1 5.433 0.005 6 1 . . . A 17 C H1' . 25414 1
12 . 1 1 2 2 C H2' H 1 4.279 0.005 4 1 . . . A 17 C H2' . 25414 1
13 . 1 1 2 2 C H3' H 1 4.675 0.005 3 1 . . . A 17 C H3' . 25414 1
14 . 1 1 2 2 C H4' H 1 4.407 0.01 1 1 . . . A 17 C H4' . 25414 1
15 . 1 1 2 2 C H5 H 1 5.526 0.01 3 1 . . . A 17 C H5 . 25414 1
16 . 1 1 2 2 C H5' H 1 4.575 0.005 1 4 . . . A 17 C H5' . 25414 1
17 . 1 1 2 2 C H5'' H 1 4.155 0.005 1 4 . . . A 17 C H5'' . 25414 1
18 . 1 1 2 2 C H6 H 1 7.820 0.005 9 1 . . . A 17 C H6 . 25414 1
19 . 1 1 2 2 C H41 H 1 8.493 0.005 4 1 . . . A 17 C H41 . 25414 1
20 . 1 1 2 2 C H42 H 1 6.933 0.005 5 1 . . . A 17 C H42 . 25414 1
21 . 1 1 2 2 C P P 31 -4.101 0.01 3 1 . . . A 17 C P . 25414 1
22 . 1 1 3 3 A H1' H 1 5.980 0.005 6 1 . . . A 18 A H1' . 25414 1
23 . 1 1 3 3 A H2 H 1 7.670 0.005 3 1 . . . A 18 A H2 . 25414 1
24 . 1 1 3 3 A H2' H 1 4.474 0.005 4 1 . . . A 18 A H2' . 25414 1
25 . 1 1 3 3 A H3' H 1 4.848 0.005 3 1 . . . A 18 A H3' . 25414 1
26 . 1 1 3 3 A H4' H 1 4.423 0.005 1 1 . . . A 18 A H4' . 25414 1
27 . 1 1 3 3 A H5' H 1 4.520 0.005 1 4 . . . A 18 A H5' . 25414 1
28 . 1 1 3 3 A H5'' H 1 4.183 0.005 1 4 . . . A 18 A H5'' . 25414 1
29 . 1 1 3 3 A H8 H 1 8.184 0.005 9 1 . . . A 18 A H8 . 25414 1
30 . 1 1 3 3 A P P 31 -3.980 0.01 4 1 . . . A 18 A P . 25414 1
31 . 1 1 4 4 G H1 H 1 10.492 0.01 2 1 . . . A 19 G H1 . 25414 1
32 . 1 1 4 4 G H1' H 1 5.563 0.005 7 1 . . . A 19 G H1' . 25414 1
33 . 1 1 4 4 G H2' H 1 4.352 0.01 5 1 . . . A 19 G H2' . 25414 1
34 . 1 1 4 4 G H3' H 1 4.607 0.005 3 1 . . . A 19 G H3' . 25414 1
35 . 1 1 4 4 G H4' H 1 4.366 0.005 1 1 . . . A 19 G H4' . 25414 1
36 . 1 1 4 4 G H5' H 1 4.415 0.005 1 4 . . . A 19 G H5' . 25414 1
37 . 1 1 4 4 G H5'' H 1 4.107 0.005 1 4 . . . A 19 G H5'' . 25414 1
38 . 1 1 4 4 G H8 H 1 7.335 0.005 8 1 . . . A 19 G H8 . 25414 1
39 . 1 1 4 4 G H21 H 1 7.160 0.005 4 1 . . . A 19 G H21 . 25414 1
40 . 1 1 4 4 G P P 31 -3.467 0.01 4 1 . . . A 19 G P . 25414 1
41 . 1 1 5 5 A H1' H 1 5.681 0.005 7 1 . . . A 20 A H1' . 25414 1
42 . 1 1 5 5 A H2 H 1 7.726 0.005 4 1 . . . A 20 A H2 . 25414 1
43 . 1 1 5 5 A H2' H 1 4.680 0.005 4 1 . . . A 20 A H2' . 25414 1
44 . 1 1 5 5 A H3' H 1 4.475 0.005 3 1 . . . A 20 A H3' . 25414 1
45 . 1 1 5 5 A H4' H 1 4.250 0.005 1 1 . . . A 20 A H4' . 25414 1
46 . 1 1 5 5 A H5' H 1 4.255 0.005 1 4 . . . A 20 A H5' . 25414 1
47 . 1 1 5 5 A H5'' H 1 3.953 0.005 1 4 . . . A 20 A H5'' . 25414 1
48 . 1 1 5 5 A H8 H 1 8.210 0.005 8 1 . . . A 20 A H8 . 25414 1
49 . 1 1 5 5 A P P 31 -2.118 0.01 1 1 . . . A 20 A P . 25414 1
50 . 1 1 6 6 A H1' H 1 5.515 0.005 8 1 . . . A 21 A H1' . 25414 1
51 . 1 1 6 6 A H2 H 1 7.610 0.005 6 1 . . . A 21 A H2 . 25414 1
52 . 1 1 6 6 A H2' H 1 4.558 0.005 4 1 . . . A 21 A H2' . 25414 1
53 . 1 1 6 6 A H3' H 1 4.655 0.005 3 1 . . . A 21 A H3' . 25414 1
54 . 1 1 6 6 A H4' H 1 4.410 0.005 1 1 . . . A 21 A H4' . 25414 1
55 . 1 1 6 6 A H5' H 1 4.298 0.005 1 4 . . . A 21 A H5' . 25414 1
56 . 1 1 6 6 A H5'' H 1 4.016 0.005 1 4 . . . A 21 A H5'' . 25414 1
57 . 1 1 6 6 A H8 H 1 7.888 0.005 9 1 . . . A 21 A H8 . 25414 1
58 . 1 1 6 6 A P P 31 -3.210 0.01 4 1 . . . A 21 A P . 25414 1
59 . 1 1 7 7 A H1' H 1 5.850 0.005 8 1 . . . A 22 A H1' . 25414 1
60 . 1 1 7 7 A H2 H 1 8.082 0.005 4 1 . . . A 22 A H2 . 25414 1
61 . 1 1 7 7 A H2' H 1 4.675 0.005 3 1 . . . A 22 A H2' . 25414 1
62 . 1 1 7 7 A H3' H 1 4.620 0.005 3 1 . . . A 22 A H3' . 25414 1
63 . 1 1 7 7 A H4' H 1 4.468 0.005 1 1 . . . A 22 A H4' . 25414 1
64 . 1 1 7 7 A H5' H 1 4.584 0.005 1 4 . . . A 22 A H5' . 25414 1
65 . 1 1 7 7 A H5'' H 1 4.211 0.005 1 4 . . . A 22 A H5'' . 25414 1
66 . 1 1 7 7 A H8 H 1 7.930 0.005 8 1 . . . A 22 A H8 . 25414 1
67 . 1 1 7 7 A P P 31 -4.163 0.01 4 1 . . . A 22 A P . 25414 1
68 . 1 1 8 8 C H1' H 1 4.850 0.005 3 1 . . . A 23 C H1' . 25414 1
69 . 1 1 8 8 C H2' H 1 4.414 0.005 4 1 . . . A 23 C H2' . 25414 1
70 . 1 1 8 8 C H3' H 1 4.338 0.005 2 1 . . . A 23 C H3' . 25414 1
71 . 1 1 8 8 C H4' H 1 4.300 0.01 1 1 . . . A 23 C H4' . 25414 1
72 . 1 1 8 8 C H5 H 1 5.583 0.01 3 1 . . . A 23 C H5 . 25414 1
73 . 1 1 8 8 C H5' H 1 4.357 0.005 1 4 . . . A 23 C H5' . 25414 1
74 . 1 1 8 8 C H5'' H 1 4.127 0.005 1 4 . . . A 23 C H5'' . 25414 1
75 . 1 1 8 8 C H6 H 1 7.730 0.005 9 1 . . . A 23 C H6 . 25414 1
76 . 1 1 8 8 C H41 H 1 7.723 0.005 2 1 . . . A 23 C H41 . 25414 1
77 . 1 1 8 8 C H42 H 1 6.575 0.005 5 1 . . . A 23 C H42 . 25414 1
78 . 1 1 8 8 C P P 31 -3.951 0.01 4 1 . . . A 23 C P . 25414 1
79 . 1 1 9 9 G H1 H 1 11.967 0.01 5 1 . . . A 24 G H1 . 25414 1
80 . 1 1 9 9 G H1' H 1 5.594 0.005 6 1 . . . A 24 G H1' . 25414 1
81 . 1 1 9 9 G H2' H 1 4.719 0.01 4 1 . . . A 24 G H2' . 25414 1
82 . 1 1 9 9 G H3' H 1 4.327 0.01 3 1 . . . A 24 G H3' . 25414 1
83 . 1 1 9 9 G H5' H 1 4.250 0.005 1 4 . . . A 24 G H5' . 25414 1
84 . 1 1 9 9 G H5'' H 1 4.103 0.005 1 4 . . . A 24 G H5'' . 25414 1
85 . 1 1 9 9 G H8 H 1 7.578 0.005 8 1 . . . A 24 G H8 . 25414 1
86 . 1 1 9 9 G H21 H 1 5.870 0.005 2 1 . . . A 24 G H21 . 25414 1
87 . 1 1 9 9 G H22 H 1 7.385 0.005 3 1 . . . A 24 G H22 . 25414 1
88 . 1 1 9 9 G P P 31 -3.563 0.01 2 1 . . . A 24 G P . 25414 1
89 . 1 1 10 10 G H1 H 1 12.802 0.01 6 1 . . . A 25 G H1 . 25414 1
90 . 1 1 10 10 G H1' H 1 5.685 0.005 6 1 . . . A 25 G H1' . 25414 1
91 . 1 1 10 10 G H2' H 1 4.519 0.01 4 1 . . . A 25 G H2' . 25414 1
92 . 1 1 10 10 G H3' H 1 4.573 0.005 3 1 . . . A 25 G H3' . 25414 1
93 . 1 1 10 10 G H4' H 1 4.417 0.005 1 1 . . . A 25 G H4' . 25414 1
94 . 1 1 10 10 G H5' H 1 4.500 0.005 1 4 . . . A 25 G H5' . 25414 1
95 . 1 1 10 10 G H5'' H 1 4.073 0.005 1 4 . . . A 25 G H5'' . 25414 1
96 . 1 1 10 10 G H8 H 1 7.300 0.005 8 1 . . . A 25 G H8 . 25414 1
97 . 1 1 10 10 G H21 H 1 8.178 0.005 1 1 . . . A 25 G H21 . 25414 1
98 . 1 1 10 10 G P P 31 -4.068 0.01 4 1 . . . A 25 G P . 25414 1
99 . 1 1 11 11 A H1' H 1 5.959 0.005 6 1 . . . A 26 A H1' . 25414 1
100 . 1 1 11 11 A H2 H 1 7.913 0.005 2 1 . . . A 26 A H2 . 25414 1
101 . 1 1 11 11 A H2' H 1 4.104 0.005 2 1 . . . A 26 A H2' . 25414 1
102 . 1 1 11 11 A H3' H 1 4.287 0.005 2 1 . . . A 26 A H3' . 25414 1
103 . 1 1 11 11 A H4' H 1 4.260 0.005 1 1 . . . A 26 A H4' . 25414 1
104 . 1 1 11 11 A H5' H 1 4.425 0.005 1 4 . . . A 26 A H5' . 25414 1
105 . 1 1 11 11 A H5'' H 1 4.055 0.005 1 4 . . . A 26 A H5'' . 25414 1
106 . 1 1 11 11 A H8 H 1 7.853 0.005 8 1 . . . A 26 A H8 . 25414 1
107 . 1 1 11 11 A P P 31 -3.856 0.01 4 1 . . . A 26 A P . 25414 1
stop_
save_