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 16953
_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' . . . 16953 1
2 '2D 1H-13C HSQC' . . . 16953 1
3 '2D 1H-1H TOCSY' . . . 16953 1
4 '2D DQF-COSY' . . . 16953 1
5 '2D 1H-31P HETCOR' . . . 16953 1
6 '2D 1H-1H NOESY' . . . 16953 1
7 '2D 1H-13C HSQC' . . . 16953 1
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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 $SPARKY . . 16953 1
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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 G H1 H 1 12.330 0.003 . 1 . . . . 1 G H1 . 16953 1
2 . 1 1 1 1 G H1' H 1 5.922 0.001 . . . . . . 1 G H1' . 16953 1
3 . 1 1 1 1 G H2' H 1 4.938 0.002 . . . . . . 1 G H2' . 16953 1
4 . 1 1 1 1 G H3' H 1 4.551 0.003 . . . . . . 1 G H3' . 16953 1
5 . 1 1 1 1 G H4' H 1 4.448 0.003 . . . . . . 1 G H4' . 16953 1
6 . 1 1 1 1 G H5' H 1 4.123 0.002 . . . . . . 1 G H5' . 16953 1
7 . 1 1 1 1 G H5'' H 1 3.971 0.002 . 2 . . . . 1 G H5'' . 16953 1
8 . 1 1 1 1 G H8 H 1 8.136 0.001 . 1 . . . . 1 G H8 . 16953 1
9 . 1 1 1 1 G H21 H 1 8.146 0.002 . 2 . . . . 1 G H21 . 16953 1
10 . 1 1 1 1 G H22 H 1 6.333 0.001 . 2 . . . . 1 G H22 . 16953 1
11 . 1 1 1 1 G C1' C 13 93.347 0.000 . . . . . . 1 G C1' . 16953 1
12 . 1 1 1 1 G C2' C 13 75.376 0.000 . . . . . . 1 G C2' . 16953 1
13 . 1 1 1 1 G C4' C 13 84.624 0.000 . . . . . . 1 G C4' . 16953 1
14 . 1 1 1 1 G C8 C 13 138.661 0.000 . 1 . . . . 1 G C8 . 16953 1
15 . 1 1 2 2 G H1 H 1 13.420 0.004 . 1 . . . . 2 G H1 . 16953 1
16 . 1 1 2 2 G H1' H 1 5.819 0.003 . . . . . . 2 G H1' . 16953 1
17 . 1 1 2 2 G H2' H 1 4.552 0.001 . . . . . . 2 G H2' . 16953 1
18 . 1 1 2 2 G H3' H 1 4.506 0.001 . . . . . . 2 G H3' . 16953 1
19 . 1 1 2 2 G H4' H 1 4.505 0.002 . . . . . . 2 G H4' . 16953 1
20 . 1 1 2 2 G H5' H 1 4.582 0.002 . . . . . . 2 G H5' . 16953 1
21 . 1 1 2 2 G H5'' H 1 4.132 0.002 . 2 . . . . 2 G H5'' . 16953 1
22 . 1 1 2 2 G H8 H 1 7.391 0.002 . 1 . . . . 2 G H8 . 16953 1
23 . 1 1 2 2 G H21 H 1 8.366 0.004 . 2 . . . . 2 G H21 . 16953 1
24 . 1 1 2 2 G H22 H 1 6.088 0.002 . 2 . . . . 2 G H22 . 16953 1
25 . 1 1 2 2 G C1' C 13 92.962 0.000 . . . . . . 2 G C1' . 16953 1
26 . 1 1 2 2 G C4' C 13 82.236 0.000 . . . . . . 2 G C4' . 16953 1
27 . 1 1 2 2 G C8 C 13 136.125 0.000 . 1 . . . . 2 G C8 . 16953 1
28 . 1 1 2 2 G P P 31 -3.795 0.000 . 1 . . . . 2 G P . 16953 1
29 . 1 1 3 3 U H1' H 1 5.475 0.004 . . . . . . 3 U H1' . 16953 1
30 . 1 1 3 3 U H2' H 1 3.778 0.003 . . . . . . 3 U H2' . 16953 1
31 . 1 1 3 3 U H3 H 1 11.991 0.005 . 1 . . . . 3 U H3 . 16953 1
32 . 1 1 3 3 U H3' H 1 4.690 0.001 . . . . . . 3 U H3' . 16953 1
33 . 1 1 3 3 U H4' H 1 4.353 0.004 . . . . . . 3 U H4' . 16953 1
34 . 1 1 3 3 U H5 H 1 5.522 0.006 . 1 . . . . 3 U H5 . 16953 1
35 . 1 1 3 3 U H5' H 1 4.524 0.016 . . . . . . 3 U H5' . 16953 1
36 . 1 1 3 3 U H5'' H 1 4.085 0.000 . 2 . . . . 3 U H5'' . 16953 1
37 . 1 1 3 3 U H6 H 1 7.632 0.001 . 1 . . . . 3 U H6 . 16953 1
38 . 1 1 3 3 U C1' C 13 93.476 0.000 . . . . . . 3 U C1' . 16953 1
39 . 1 1 3 3 U C5 C 13 104.489 0.000 . 1 . . . . 3 U C5 . 16953 1
40 . 1 1 3 3 U P P 31 -4.234 0.000 . 1 . . . . 3 U P . 16953 1
41 . 1 1 4 4 A H1' H 1 6.035 0.007 . . . . . . 4 A H1' . 16953 1
42 . 1 1 4 4 A H2 H 1 7.538 0.005 . 1 . . . . 4 A H2 . 16953 1
43 . 1 1 4 4 A H2' H 1 4.954 0.004 . . . . . . 4 A H2' . 16953 1
44 . 1 1 4 4 A H3' H 1 4.878 0.003 . . . . . . 4 A H3' . 16953 1
45 . 1 1 4 4 A H4' H 1 4.491 0.001 . . . . . . 4 A H4' . 16953 1
46 . 1 1 4 4 A H5'' H 1 4.193 0.000 . 2 . . . . 4 A H5'' . 16953 1
47 . 1 1 4 4 A H8 H 1 8.557 0.008 . 1 . . . . 4 A H8 . 16953 1
48 . 1 1 4 4 A C2 C 13 153.175 0.000 . 1 . . . . 4 A C2 . 16953 1
49 . 1 1 4 4 A P P 31 -4.326 0.000 . 1 . . . . 4 A P . 16953 1
50 . 1 1 5 5 G H1 H 1 11.991 0.000 . 1 . . . . 5 G H1 . 16953 1
51 . 1 1 5 5 G H1' H 1 5.699 0.002 . . . . . . 5 G H1' . 16953 1
52 . 1 1 5 5 G H2' H 1 4.570 0.001 . . . . . . 5 G H2' . 16953 1
53 . 1 1 5 5 G H3' H 1 4.303 0.004 . . . . . . 5 G H3' . 16953 1
54 . 1 1 5 5 G H8 H 1 7.374 0.003 . 1 . . . . 5 G H8 . 16953 1
55 . 1 1 5 5 G H21 H 1 5.720 0.000 . 2 . . . . 5 G H21 . 16953 1
56 . 1 1 5 5 G H22 H 1 5.720 0.000 . 2 . . . . 5 G H22 . 16953 1
57 . 1 1 5 5 G P P 31 -3.265 0.000 . 1 . . . . 5 G P . 16953 1
58 . 1 1 6 6 G H1 H 1 10.290 0.004 . 1 . . . . 6 G H1 . 16953 1
59 . 1 1 6 6 G H1' H 1 5.747 0.002 . . . . . . 6 G H1' . 16953 1
60 . 1 1 6 6 G H2' H 1 4.559 0.001 . . . . . . 6 G H2' . 16953 1
61 . 1 1 6 6 G H3' H 1 4.360 0.002 . . . . . . 6 G H3' . 16953 1
62 . 1 1 6 6 G H4' H 1 4.437 0.002 . . . . . . 6 G H4' . 16953 1
63 . 1 1 6 6 G H5' H 1 4.459 0.002 . . . . . . 6 G H5' . 16953 1
64 . 1 1 6 6 G H5'' H 1 4.045 0.007 . 2 . . . . 6 G H5'' . 16953 1
65 . 1 1 6 6 G H8 H 1 7.083 0.004 . 1 . . . . 6 G H8 . 16953 1
66 . 1 1 6 6 G H21 H 1 6.216 0.000 . 2 . . . . 6 G H21 . 16953 1
67 . 1 1 6 6 G H22 H 1 6.216 0.000 . 2 . . . . 6 G H22 . 16953 1
68 . 1 1 6 6 G C1' C 13 93.681 0.000 . . . . . . 6 G C1' . 16953 1
69 . 1 1 6 6 G C4' C 13 82.327 0.000 . . . . . . 6 G C4' . 16953 1
70 . 1 1 6 6 G P P 31 -3.716 0.000 . 1 . . . . 6 G P . 16953 1
71 . 1 1 7 7 C H1' H 1 5.366 0.002 . . . . . . 7 C H1' . 16953 1
72 . 1 1 7 7 C H2' H 1 4.192 0.001 . . . . . . 7 C H2' . 16953 1
73 . 1 1 7 7 C H3' H 1 4.443 0.004 . . . . . . 7 C H3' . 16953 1
74 . 1 1 7 7 C H4' H 1 4.354 0.005 . . . . . . 7 C H4' . 16953 1
75 . 1 1 7 7 C H5 H 1 5.384 0.008 . 1 . . . . 7 C H5 . 16953 1
76 . 1 1 7 7 C H5' H 1 4.449 0.000 . . . . . . 7 C H5' . 16953 1
77 . 1 1 7 7 C H5'' H 1 4.038 0.004 . 2 . . . . 7 C H5'' . 16953 1
78 . 1 1 7 7 C H6 H 1 7.699 0.003 . 1 . . . . 7 C H6 . 16953 1
79 . 1 1 7 7 C H41 H 1 6.870 0.003 . 2 . . . . 7 C H41 . 16953 1
80 . 1 1 7 7 C H42 H 1 8.286 0.003 . 2 . . . . 7 C H42 . 16953 1
81 . 1 1 7 7 C C1' C 13 93.784 0.000 . . . . . . 7 C C1' . 16953 1
82 . 1 1 7 7 C C5 C 13 96.967 0.000 . 1 . . . . 7 C C5 . 16953 1
83 . 1 1 7 7 C P P 31 -4.629 0.000 . 1 . . . . 7 C P . 16953 1
84 . 1 1 8 8 C H1' H 1 5.437 0.002 . . . . . . 8 C H1' . 16953 1
85 . 1 1 8 8 C H2' H 1 4.413 0.000 . . . . . . 8 C H2' . 16953 1
86 . 1 1 8 8 C H3' H 1 4.453 0.003 . . . . . . 8 C H3' . 16953 1
87 . 1 1 8 8 C H4' H 1 4.335 0.003 . . . . . . 8 C H4' . 16953 1
88 . 1 1 8 8 C H5 H 1 5.432 0.006 . 1 . . . . 8 C H5 . 16953 1
89 . 1 1 8 8 C H5' H 1 4.443 0.000 . . . . . . 8 C H5' . 16953 1
90 . 1 1 8 8 C H5'' H 1 4.032 0.001 . 2 . . . . 8 C H5'' . 16953 1
91 . 1 1 8 8 C H6 H 1 7.622 0.002 . 1 . . . . 8 C H6 . 16953 1
92 . 1 1 8 8 C H41 H 1 7.034 0.001 . 2 . . . . 8 C H41 . 16953 1
93 . 1 1 8 8 C H42 H 1 8.146 0.003 . 2 . . . . 8 C H42 . 16953 1
94 . 1 1 8 8 C C1' C 13 93.886 0.000 . . . . . . 8 C C1' . 16953 1
95 . 1 1 8 8 C C5 C 13 97.737 0.000 . 1 . . . . 8 C C5 . 16953 1
96 . 1 1 8 8 C P P 31 -3.966 0.000 . 1 . . . . 8 C P . 16953 1
97 . 1 1 9 9 A H1' H 1 5.978 0.003 . . . . . . 9 A H1' . 16953 1
98 . 1 1 9 9 A H2 H 1 7.278 0.001 . 1 . . . . 9 A H2 . 16953 1
99 . 1 1 9 9 A H2' H 1 4.018 0.001 . . . . . . 9 A H2' . 16953 1
100 . 1 1 9 9 A H3' H 1 4.294 0.002 . . . . . . 9 A H3' . 16953 1
101 . 1 1 9 9 A H4' H 1 4.215 0.004 . . . . . . 9 A H4' . 16953 1
102 . 1 1 9 9 A H5' H 1 4.447 0.002 . . . . . . 9 A H5' . 16953 1
103 . 1 1 9 9 A H5'' H 1 4.034 0.000 . 2 . . . . 9 A H5'' . 16953 1
104 . 1 1 9 9 A H8 H 1 7.982 0.003 . 1 . . . . 9 A H8 . 16953 1
105 . 1 1 9 9 A C1' C 13 91.755 0.000 . . . . . . 9 A C1' . 16953 1
106 . 1 1 9 9 A C2 C 13 154.126 0.000 . 1 . . . . 9 A C2 . 16953 1
107 . 1 1 9 9 A C8 C 13 139.894 0.000 . 1 . . . . 9 A C8 . 16953 1
108 . 1 1 9 9 A P P 31 -3.696 0.000 . 1 . . . . 9 A P . 16953 1
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save_