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 51137
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chemical_shifts_298K
_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 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
11 '2D 1H-1H NOESY' . . . 51137 1
12 '2D 1H-31P DINO' . . . 51137 1
13 '2D 1H-13C HSQC' . . . 51137 1
stop_
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 . . 51137 1
2 $software_2 . . 51137 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 G H1' H 1 5.855 0.002 . . . . . . . 252 G H1' . 51137 1
2 . 1 . 1 1 1 G H2' H 1 4.818 0.164 . . . . . . . 252 G H2' . 51137 1
3 . 1 . 1 1 1 G H3' H 1 4.736 0.000 . . . . . . . 252 G H3' . 51137 1
4 . 1 . 1 1 1 G H5' H 1 3.995 0.000 . . . . . . . 252 G H5' . 51137 1
5 . 1 . 1 1 1 G H5'' H 1 3.944 0.022 . . . . . . . 252 G H5'' . 51137 1
6 . 1 . 1 1 1 G H8 H 1 8.004 0.003 . . . . . . . 252 G H8 . 51137 1
7 . 1 . 1 1 1 G C1' C 13 91.750 0.000 . . . . . . . 252 G C1' . 51137 1
8 . 1 . 1 1 1 G C2' C 13 75.302 0.000 . . . . . . . 252 G C2' . 51137 1
9 . 1 . 1 1 1 G C3' C 13 75.356 0.000 . . . . . . . 252 G C3' . 51137 1
10 . 1 . 1 1 1 G C5' C 13 63.493 0.001 . . . . . . . 252 G C5' . 51137 1
11 . 1 . 1 2 2 A H1' H 1 6.013 0.003 . . . . . . . 253 A H1' . 51137 1
12 . 1 . 1 2 2 A H2' H 1 4.738 0.002 . . . . . . . 253 A H2' . 51137 1
13 . 1 . 1 2 2 A H4' H 1 4.595 0.001 . . . . . . . 253 A H4' . 51137 1
14 . 1 . 1 2 2 A H8 H 1 8.283 0.006 . . . . . . . 253 A H8 . 51137 1
15 . 1 . 1 2 2 A C1' C 13 92.411 0.000 . . . . . . . 253 A C1' . 51137 1
16 . 1 . 1 2 2 A C2' C 13 75.979 0.000 . . . . . . . 253 A C2' . 51137 1
17 . 1 . 1 2 2 A C4' C 13 83.118 0.000 . . . . . . . 253 A C4' . 51137 1
18 . 1 . 1 2 2 A P P 31 -0.636 0.020 . . . . . . . 253 A P . 51137 1
19 . 1 . 1 3 3 C H1' H 1 5.491 0.004 . . . . . . . 254 C H1' . 51137 1
20 . 1 . 1 3 3 C H2' H 1 4.241 0.001 . . . . . . . 254 C H2' . 51137 1
21 . 1 . 1 3 3 C H5 H 1 5.293 0.002 . . . . . . . 254 C H5 . 51137 1
22 . 1 . 1 3 3 C H6 H 1 7.590 0.006 . . . . . . . 254 C H6 . 51137 1
23 . 1 . 1 3 3 C C1' C 13 93.908 0.000 . . . . . . . 254 C C1' . 51137 1
24 . 1 . 1 3 3 C C2' C 13 75.689 0.000 . . . . . . . 254 C C2' . 51137 1
25 . 1 . 1 3 3 C C5 C 13 97.230 0.000 . . . . . . . 254 C C5 . 51137 1
26 . 1 . 1 3 3 C P P 31 -0.967 0.017 . . . . . . . 254 C P . 51137 1
27 . 1 . 1 4 4 C H1' H 1 5.553 0.003 . . . . . . . 255 C H1' . 51137 1
28 . 1 . 1 4 4 C H2' H 1 4.493 0.001 . . . . . . . 255 C H2' . 51137 1
29 . 1 . 1 4 4 C H3' H 1 4.406 0.001 . . . . . . . 255 C H3' . 51137 1
30 . 1 . 1 4 4 C H5 H 1 5.375 0.002 . . . . . . . 255 C H5 . 51137 1
31 . 1 . 1 4 4 C H5' H 1 4.515 0.016 . . . . . . . 255 C H5' . 51137 1
32 . 1 . 1 4 4 C H5'' H 1 4.075 0.008 . . . . . . . 255 C H5'' . 51137 1
33 . 1 . 1 4 4 C H6 H 1 7.576 0.003 . . . . . . . 255 C H6 . 51137 1
34 . 1 . 1 4 4 C C1' C 13 93.852 0.000 . . . . . . . 255 C C1' . 51137 1
35 . 1 . 1 4 4 C C2' C 13 75.772 0.000 . . . . . . . 255 C C2' . 51137 1
36 . 1 . 1 4 4 C C5 C 13 98.279 0.000 . . . . . . . 255 C C5 . 51137 1
37 . 1 . 1 4 4 C P P 31 -0.942 0.017 . . . . . . . 255 C P . 51137 1
38 . 1 . 1 5 5 G H1' H 1 5.673 0.006 . . . . . . . 256 G H1' . 51137 1
39 . 1 . 1 5 5 G H2' H 1 4.463 0.002 . . . . . . . 256 G H2' . 51137 1
40 . 1 . 1 5 5 G H8 H 1 7.577 0.006 . . . . . . . 256 G H8 . 51137 1
41 . 1 . 1 5 5 G C1' C 13 93.003 0.000 . . . . . . . 256 G C1' . 51137 1
42 . 1 . 1 5 5 G C2' C 13 76.102 0.000 . . . . . . . 256 G C2' . 51137 1
43 . 1 . 1 5 5 G C5' C 13 65.011 0.000 . . . . . . . 256 G C5' . 51137 1
44 . 1 . 1 5 5 G P P 31 -0.583 0.001 . . . . . . . 256 G P . 51137 1
45 . 1 . 1 6 6 A H1' H 1 5.720 0.002 . . . . . . . 257 A H1' . 51137 1
46 . 1 . 1 6 6 A H2' H 1 4.246 0.003 . . . . . . . 257 A H2' . 51137 1
47 . 1 . 1 6 6 A H8 H 1 8.400 0.003 . . . . . . . 257 A H8 . 51137 1
48 . 1 . 1 6 6 A C1' C 13 91.718 0.000 . . . . . . . 257 A C1' . 51137 1
49 . 1 . 1 6 6 A C2' C 13 77.978 0.000 . . . . . . . 257 A C2' . 51137 1
50 . 1 . 1 6 6 A P P 31 0.974 0.000 . . . . . . . 257 A P . 51137 1
51 . 1 . 1 7 7 A H1' H 1 5.431 0.003 . . . . . . . 258 A H1' . 51137 1
52 . 1 . 1 7 7 A H2' H 1 4.326 0.001 . . . . . . . 258 A H2' . 51137 1
53 . 1 . 1 7 7 A H4' H 1 4.767 0.000 . . . . . . . 258 A H4' . 51137 1
54 . 1 . 1 7 7 A H5' H 1 3.992 0.009 . . . . . . . 258 A H5' . 51137 1
55 . 1 . 1 7 7 A H5'' H 1 3.909 0.003 . . . . . . . 258 A H5'' . 51137 1
56 . 1 . 1 7 7 A H8 H 1 7.945 0.004 . . . . . . . 258 A H8 . 51137 1
57 . 1 . 1 7 7 A C1' C 13 92.261 0.000 . . . . . . . 258 A C1' . 51137 1
58 . 1 . 1 7 7 A C2' C 13 76.456 0.000 . . . . . . . 258 A C2' . 51137 1
59 . 1 . 1 7 7 A C5' C 13 65.399 0.000 . . . . . . . 258 A C5' . 51137 1
60 . 1 . 1 7 7 A P P 31 -0.260 0.006 . . . . . . . 258 A P . 51137 1
61 . 1 . 1 8 8 A H1' H 1 6.030 0.001 . . . . . . . 259 A H1' . 51137 1
62 . 1 . 1 8 8 A H2 H 1 8.081 0.001 . . . . . . . 259 A H2 . 51137 1
63 . 1 . 1 8 8 A H2' H 1 4.612 0.001 . . . . . . . 259 A H2' . 51137 1
64 . 1 . 1 8 8 A H5' H 1 4.507 0.000 . . . . . . . 259 A H5' . 51137 1
65 . 1 . 1 8 8 A H8 H 1 8.199 0.004 . . . . . . . 259 A H8 . 51137 1
66 . 1 . 1 8 8 A C1' C 13 92.014 0.000 . . . . . . . 259 A C1' . 51137 1
67 . 1 . 1 8 8 A C2' C 13 76.809 0.000 . . . . . . . 259 A C2' . 51137 1
68 . 1 . 1 8 8 A C5' C 13 66.033 0.000 . . . . . . . 259 A C5' . 51137 1
69 . 1 . 1 8 8 A P P 31 -1.741 0.039 . . . . . . . 259 A P . 51137 1
70 . 1 . 1 9 9 G H1' H 1 3.738 0.016 . . . . . . . 260 G H1' . 51137 1
71 . 1 . 1 9 9 G H2' H 1 4.432 0.002 . . . . . . . 260 G H2' . 51137 1
72 . 1 . 1 9 9 G H3' H 1 4.171 0.001 . . . . . . . 260 G H3' . 51137 1
73 . 1 . 1 9 9 G H4' H 1 4.263 0.000 . . . . . . . 260 G H4' . 51137 1
74 . 1 . 1 9 9 G H5' H 1 4.352 0.003 . . . . . . . 260 G H5' . 51137 1
75 . 1 . 1 9 9 G H5'' H 1 4.228 0.004 . . . . . . . 260 G H5'' . 51137 1
76 . 1 . 1 9 9 G H8 H 1 7.840 0.004 . . . . . . . 260 G H8 . 51137 1
77 . 1 . 1 9 9 G C1' C 13 92.721 0.000 . . . . . . . 260 G C1' . 51137 1
78 . 1 . 1 9 9 G C2' C 13 75.281 0.000 . . . . . . . 260 G C2' . 51137 1
79 . 1 . 1 9 9 G C3' C 13 74.358 0.000 . . . . . . . 260 G C3' . 51137 1
80 . 1 . 1 9 9 G C5' C 13 69.569 0.006 . . . . . . . 260 G C5' . 51137 1
81 . 1 . 1 9 9 G P P 31 0.237 0.008 . . . . . . . 260 G P . 51137 1
82 . 1 . 1 10 10 G H1' H 1 5.777 0.004 . . . . . . . 261 G H1' . 51137 1
83 . 1 . 1 10 10 G H2' H 1 4.431 0.001 . . . . . . . 261 G H2' . 51137 1
84 . 1 . 1 10 10 G H5' H 1 4.407 0.001 . . . . . . . 261 G H5' . 51137 1
85 . 1 . 1 10 10 G H5'' H 1 3.995 0.003 . . . . . . . 261 G H5'' . 51137 1
86 . 1 . 1 10 10 G H8 H 1 7.164 0.003 . . . . . . . 261 G H8 . 51137 1
87 . 1 . 1 10 10 G C1' C 13 93.120 0.000 . . . . . . . 261 G C1' . 51137 1
88 . 1 . 1 10 10 G C2' C 13 74.779 0.000 . . . . . . . 261 G C2' . 51137 1
89 . 1 . 1 10 10 G P P 31 -1.005 0.004 . . . . . . . 261 G P . 51137 1
90 . 1 . 1 11 11 U H1' H 1 5.625 0.002 . . . . . . . 262 U H1' . 51137 1
91 . 1 . 1 11 11 U H2' H 1 4.316 0.001 . . . . . . . 262 U H2' . 51137 1
92 . 1 . 1 11 11 U H5 H 1 5.071 0.002 . . . . . . . 262 U H5 . 51137 1
93 . 1 . 1 11 11 U H6 H 1 7.573 0.005 . . . . . . . 262 U H6 . 51137 1
94 . 1 . 1 11 11 U C1' C 13 93.392 0.000 . . . . . . . 262 U C1' . 51137 1
95 . 1 . 1 11 11 U C2' C 13 75.765 0.000 . . . . . . . 262 U C2' . 51137 1
96 . 1 . 1 11 11 U C5 C 13 102.862 0.000 . . . . . . . 262 U C5 . 51137 1
97 . 1 . 1 11 11 U P P 31 -1.344 0.152 . . . . . . . 262 U P . 51137 1
98 . 1 . 1 12 12 A H1' H 1 6.021 0.002 . . . . . . . 263 A H1' . 51137 1
99 . 1 . 1 12 12 A H2' H 1 4.316 0.001 . . . . . . . 263 A H2' . 51137 1
100 . 1 . 1 12 12 A H5' H 1 4.371 0.007 . . . . . . . 263 A H5' . 51137 1
101 . 1 . 1 12 12 A H5'' H 1 4.104 0.007 . . . . . . . 263 A H5'' . 51137 1
102 . 1 . 1 12 12 A H8 H 1 8.250 0.004 . . . . . . . 263 A H8 . 51137 1
103 . 1 . 1 12 12 A C1' C 13 90.619 0.000 . . . . . . . 263 A C1' . 51137 1
104 . 1 . 1 12 12 A C5' C 13 66.421 0.009 . . . . . . . 263 A C5' . 51137 1
105 . 1 . 1 12 12 A P P 31 -0.802 0.017 . . . . . . . 263 A P . 51137 1
stop_
save_