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 30698
_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' . . . 30698 1
2 'H2O 2D 1H-1H NOESY' . . . 30698 1
3 'D2O 2D DQF-COSY' . . . 30698 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 5.609 0.003 . . . 5 . . A 1 C H1' . 30698 1
2 . 1 . 1 1 1 C H2' H 1 4.480 0.001 . . . 2 . . A 1 C H2' . 30698 1
3 . 1 . 1 1 1 C H3' H 1 4.562 0.000 . . . 2 . . A 1 C H3' . 30698 1
4 . 1 . 1 1 1 C H4' H 1 4.401 0.000 . . . 1 . . A 1 C H4' . 30698 1
5 . 1 . 1 1 1 C H5 H 1 6.082 0.001 . . . 2 . . A 1 C H5 . 30698 1
6 . 1 . 1 1 1 C H6 H 1 8.211 0.000 . . . 3 . . A 1 C H6 . 30698 1
7 . 1 . 1 2 2 C H1' H 1 5.674 0.001 . . . 3 . . A 2 C H1' . 30698 1
8 . 1 . 1 2 2 C H2' H 1 4.692 0.001 . . . 3 . . A 2 C H2' . 30698 1
9 . 1 . 1 2 2 C H3' H 1 4.484 0.000 . . . 1 . . A 2 C H3' . 30698 1
10 . 1 . 1 2 2 C H5 H 1 5.668 0.003 . . . 2 . . A 2 C H5 . 30698 1
11 . 1 . 1 2 2 C H6 H 1 8.060 0.002 . . . 5 . . A 2 C H6 . 30698 1
12 . 1 . 1 3 3 G H1' H 1 5.811 0.000 . . . 4 . . A 3 G H1' . 30698 1
13 . 1 . 1 3 3 G H2' H 1 4.639 0.003 . . . 3 . . A 3 G H2' . 30698 1
14 . 1 . 1 3 3 G H3' H 1 4.578 0.000 . . . 1 . . A 3 G H3' . 30698 1
15 . 1 . 1 3 3 G H8 H 1 7.709 0.001 . . . 3 . . A 3 G H8 . 30698 1
16 . 1 . 1 4 4 G H1' H 1 5.809 0.002 . . . 7 . . A 4 G H1' . 30698 1
17 . 1 . 1 4 4 G H2' H 1 4.622 0.000 . . . 2 . . A 4 G H2' . 30698 1
18 . 1 . 1 4 4 G H3' H 1 4.546 0.000 . . . 1 . . A 4 G H3' . 30698 1
19 . 1 . 1 4 4 G H8 H 1 7.309 0.008 . . . 4 . . A 4 G H8 . 30698 1
20 . 1 . 1 5 5 C H1' H 1 5.670 0.006 . . . 3 . . A 5 C H1' . 30698 1
21 . 1 . 1 5 5 C H2' H 1 4.534 0.000 . . . 1 . . A 5 C H2' . 30698 1
22 . 1 . 1 5 5 C H3' H 1 4.246 0.005 . . . 5 . . A 5 C H3' . 30698 1
23 . 1 . 1 5 5 C H5 H 1 5.404 0.001 . . . 3 . . A 5 C H5 . 30698 1
24 . 1 . 1 5 5 C H6 H 1 7.558 0.004 . . . 9 . . A 5 C H6 . 30698 1
25 . 1 . 1 6 6 A H1' H 1 6.104 0.012 . . . 3 . . A 6 A H1' . 30698 1
26 . 1 . 1 6 6 A H2' H 1 4.560 0.000 . . . 1 . . A 6 A H2' . 30698 1
27 . 1 . 1 6 6 A H5' H 1 4.116 0.000 . . . 1 . . A 6 A H5' . 30698 1
28 . 1 . 1 6 6 A H8 H 1 8.361 0.009 . . . 3 . . A 6 A H8 . 30698 1
29 . 1 . 1 7 7 G H1' H 1 5.745 0.005 . . . 2 . . A 7 G H1' . 30698 1
30 . 1 . 1 7 7 G H2' H 1 4.709 0.000 . . . 1 . . A 7 G H2' . 30698 1
31 . 1 . 1 7 7 G H3' H 1 4.572 0.000 . . . 1 . . A 7 G H3' . 30698 1
32 . 1 . 1 7 7 G H8 H 1 7.817 0.001 . . . 3 . . A 7 G H8 . 30698 1
33 . 1 . 1 8 8 U H1' H 1 5.648 0.003 . . . 3 . . A 8 U H1' . 30698 1
34 . 1 . 1 8 8 U H2' H 1 4.743 0.003 . . . 4 . . A 8 U H2' . 30698 1
35 . 1 . 1 8 8 U H5 H 1 5.104 0.004 . . . 2 . . A 8 U H5 . 30698 1
36 . 1 . 1 8 8 U H6 H 1 7.843 0.003 . . . 8 . . A 8 U H6 . 30698 1
37 . 1 . 1 9 9 G H1' H 1 5.856 0.003 . . . 5 . . A 9 G H1' . 30698 1
38 . 1 . 1 9 9 G H2' H 1 4.505 0.005 . . . 2 . . A 9 G H2' . 30698 1
39 . 1 . 1 9 9 G H3' H 1 4.594 0.000 . . . 1 . . A 9 G H3' . 30698 1
40 . 1 . 1 9 9 G H8 H 1 7.749 0.001 . . . 2 . . A 9 G H8 . 30698 1
41 . 1 . 1 10 10 U H1' H 1 5.503 0.002 . . . 4 . . A 10 U H1' . 30698 1
42 . 1 . 1 10 10 U H2' H 1 4.357 0.000 . . . 1 . . A 10 U H2' . 30698 1
43 . 1 . 1 10 10 U H3' H 1 4.527 0.000 . . . 1 . . A 10 U H3' . 30698 1
44 . 1 . 1 10 10 U H4' H 1 4.427 0.000 . . . 1 . . A 10 U H4' . 30698 1
45 . 1 . 1 10 10 U H5 H 1 5.179 0.008 . . . 2 . . A 10 U H5 . 30698 1
46 . 1 . 1 10 10 U H6 H 1 7.725 0.001 . . . 3 . . A 10 U H6 . 30698 1
47 . 1 . 1 11 11 G H1' H 1 5.905 0.001 . . . 3 . . A 11 G H1' . 30698 1
48 . 1 . 1 11 11 G H2' H 1 4.090 0.000 . . . 2 . . A 11 G H2' . 30698 1
49 . 1 . 1 11 11 G H8 H 1 7.727 0.001 . . . 2 . . A 11 G H8 . 30698 1
50 . 2 . 2 1 1 C H1' H 1 5.540 0.002 . . . 5 . . B 12 C H1' . 30698 1
51 . 2 . 2 1 1 C H2' H 1 4.553 0.002 . . . 2 . . B 12 C H2' . 30698 1
52 . 2 . 2 1 1 C H3' H 1 4.631 0.000 . . . 2 . . B 12 C H3' . 30698 1
53 . 2 . 2 1 1 C H4' H 1 4.396 0.000 . . . 1 . . B 12 C H4' . 30698 1
54 . 2 . 2 1 1 C H5 H 1 6.025 0.000 . . . 1 . . B 12 C H5 . 30698 1
55 . 2 . 2 1 1 C H6 H 1 8.161 0.000 . . . 2 . . B 12 C H6 . 30698 1
56 . 2 . 2 2 2 A H1' H 1 6.029 0.001 . . . 5 . . B 13 A H1' . 30698 1
57 . 2 . 2 2 2 A H2 H 1 7.581 0.000 . . . 2 . . B 13 A H2 . 30698 1
58 . 2 . 2 2 2 A H2' H 1 4.588 0.002 . . . 3 . . B 13 A H2' . 30698 1
59 . 2 . 2 2 2 A H3' H 1 4.896 0.001 . . . 4 . . B 13 A H3' . 30698 1
60 . 2 . 2 2 2 A H8 H 1 8.342 0.002 . . . 6 . . B 13 A H8 . 30698 1
61 . 2 . 2 3 3 C H1' H 1 5.486 0.004 . . . 4 . . B 14 C H1' . 30698 1
62 . 2 . 2 3 3 C H2' H 1 4.310 0.001 . . . 2 . . B 14 C H2' . 30698 1
63 . 2 . 2 3 3 C H3' H 1 4.587 0.000 . . . 1 . . B 14 C H3' . 30698 1
64 . 2 . 2 3 3 C H5 H 1 5.290 0.002 . . . 4 . . B 14 C H5 . 30698 1
65 . 2 . 2 3 3 C H6 H 1 7.715 0.003 . . . 5 . . B 14 C H6 . 30698 1
66 . 2 . 2 4 4 A H1' H 1 5.983 0.002 . . . 6 . . B 15 A H1' . 30698 1
67 . 2 . 2 4 4 A H2 H 1 7.482 0.002 . . . 4 . . B 15 A H2 . 30698 1
68 . 2 . 2 4 4 A H2' H 1 4.532 0.000 . . . 1 . . B 15 A H2' . 30698 1
69 . 2 . 2 4 4 A H3' H 1 4.421 0.000 . . . 1 . . B 15 A H3' . 30698 1
70 . 2 . 2 4 4 A H8 H 1 8.096 0.004 . . . 3 . . B 15 A H8 . 30698 1
71 . 2 . 2 5 5 C H1' H 1 5.479 0.006 . . . 6 . . B 16 C H1' . 30698 1
72 . 2 . 2 5 5 C H2' H 1 4.312 0.003 . . . 2 . . B 16 C H2' . 30698 1
73 . 2 . 2 5 5 C H3' H 1 4.477 0.000 . . . 1 . . B 16 C H3' . 30698 1
74 . 2 . 2 5 5 C H5 H 1 5.329 0.000 . . . 3 . . B 16 C H5 . 30698 1
75 . 2 . 2 5 5 C H6 H 1 7.416 0.003 . . . 6 . . B 16 C H6 . 30698 1
76 . 2 . 2 6 6 G H1' H 1 5.720 0.006 . . . 6 . . B 17 G H1' . 30698 1
77 . 2 . 2 6 6 G H2' H 1 4.614 0.002 . . . 2 . . B 17 G H2' . 30698 1
78 . 2 . 2 6 6 G H3' H 1 4.538 0.000 . . . 1 . . B 17 G H3' . 30698 1
79 . 2 . 2 6 6 G H8 H 1 7.585 0.005 . . . 7 . . B 17 G H8 . 30698 1
80 . 2 . 2 7 7 U H1' H 1 5.434 0.004 . . . 8 . . B 18 U H1' . 30698 1
81 . 2 . 2 7 7 U H2' H 1 4.112 0.003 . . . 4 . . B 18 U H2' . 30698 1
82 . 2 . 2 7 7 U H3' H 1 4.557 0.008 . . . 3 . . B 18 U H3' . 30698 1
83 . 2 . 2 7 7 U H4' H 1 4.409 0.000 . . . 1 . . B 18 U H4' . 30698 1
84 . 2 . 2 7 7 U H5 H 1 5.524 0.000 . . . 2 . . B 18 U H5 . 30698 1
85 . 2 . 2 7 7 U H6 H 1 7.921 0.003 . . . 9 . . B 18 U H6 . 30698 1
86 . 2 . 2 8 8 C H1' H 1 5.673 0.000 . . . 1 . . B 19 C H1' . 30698 1
87 . 2 . 2 8 8 C H3' H 1 4.382 0.000 . . . 1 . . B 19 C H3' . 30698 1
88 . 2 . 2 8 8 C H5 H 1 5.643 0.002 . . . 2 . . B 19 C H5 . 30698 1
89 . 2 . 2 8 8 C H6 H 1 8.021 0.001 . . . 7 . . B 19 C H6 . 30698 1
90 . 2 . 2 9 9 G H1' H 1 5.659 0.002 . . . 4 . . B 20 G H1' . 30698 1
91 . 2 . 2 9 9 G H2' H 1 4.562 0.002 . . . 2 . . B 20 G H2' . 30698 1
92 . 2 . 2 9 9 G H3' H 1 4.492 0.000 . . . 1 . . B 20 G H3' . 30698 1
93 . 2 . 2 9 9 G H8 H 1 7.498 0.000 . . . 1 . . B 20 G H8 . 30698 1
94 . 2 . 2 10 10 G H1' H 1 5.867 0.001 . . . 3 . . B 21 G H1' . 30698 1
95 . 2 . 2 10 10 G H2' H 1 4.059 0.000 . . . 2 . . B 21 G H2' . 30698 1
96 . 2 . 2 10 10 G H4' H 1 4.246 0.001 . . . 2 . . B 21 G H4' . 30698 1
97 . 2 . 2 10 10 G H8 H 1 7.375 0.001 . . . 5 . . B 21 G H8 . 30698 1
98 . 3 . 3 1 1 QSV H2 H 1 8.044 0.000 . . . 1 . . A 101 QSV H2 . 30698 1
99 . 3 . 3 1 1 QSV H2' H 1 8.050 0.000 . . . 1 . . A 101 QSV H2' . 30698 1
100 . 3 . 3 1 1 QSV H4 H 1 8.118 0.005 . . . 3 . . A 101 QSV H4 . 30698 1
101 . 3 . 3 1 1 QSV H4' H 1 8.117 0.005 . . . 3 . . A 101 QSV H4' . 30698 1
102 . 3 . 3 1 1 QSV H5 H 1 7.957 0.003 . . . 2 . . A 101 QSV H5 . 30698 1
103 . 3 . 3 1 1 QSV H5' H 1 7.949 0.003 . . . 2 . . A 101 QSV H5' . 30698 1
104 . 3 . 3 1 1 QSV H71 H 1 2.097 0.009 . . . 11 . . A 101 QSV H71 . 30698 1
105 . 3 . 3 1 1 QSV H74 H 1 1.984 0.011 . . . 4 . . A 101 QSV H74 . 30698 1
stop_
save_