Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18035
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4a4u/ebi/UGAC_1.ppm.csh'
_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 experiment_1 1 $sample_1 solution 18035 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 G H1' H 1 5.763 0.014 . 1 . 1 . . 1 G H1' . 18035 1
2 . 1 1 1 1 G H2' H 1 4.425 0.01 . 1 . 2 . . 1 G H2' . 18035 1
3 . 1 1 1 1 G H3' H 1 4.148 . . 1 . 3 . . 1 G H3' . 18035 1
4 . 1 1 1 1 G H4' H 1 4.234 . . 1 . 4 . . 1 G H4' . 18035 1
5 . 1 1 1 1 G H8 H 1 8.095 . . 1 . 5 . . 1 G H8 . 18035 1
6 . 1 1 2 2 G H8 H 1 7.463 0.002 . 1 . 6 . . 2 G H8 . 18035 1
7 . 1 1 3 3 A H1' H 1 5.950 0.007 . 1 . 7 . . 3 A H1' . 18035 1
8 . 1 1 3 3 A H2 H 1 7.776 0.006 . 1 . 8 . . 3 A H2 . 18035 1
9 . 1 1 3 3 A H8 H 1 7.888 0.001 . 1 . 9 . . 3 A H8 . 18035 1
10 . 1 1 4 4 C H1' H 1 5.331 0.003 . 1 . 10 . . 4 C H1' . 18035 1
11 . 1 1 4 4 C H2' H 1 4.217 0.008 . 1 . 11 . . 4 C H2' . 18035 1
12 . 1 1 4 4 C H3' H 1 3.983 0.01 . 1 . 12 . . 4 C H3' . 18035 1
13 . 1 1 4 4 C H5 H 1 5.184 0.866 . 1 . 13 . . 4 C H5 . 18035 1
14 . 1 1 4 4 C H6 H 1 7.378 0.009 . 1 . 14 . . 4 C H6 . 18035 1
15 . 1 1 5 5 C H5 H 1 5.430 0.002 . 1 . 15 . . 5 C H5 . 18035 1
16 . 1 1 5 5 C H6 H 1 7.710 0.009 . 1 . 16 . . 5 C H6 . 18035 1
17 . 1 1 6 6 C H1' H 1 5.557 . . 1 . 17 . . 6 C H1' . 18035 1
18 . 1 1 6 6 C H2' H 1 4.294 0.007 . 1 . 18 . . 6 C H2' . 18035 1
19 . 1 1 6 6 C H5 H 1 5.445 0.007 . 1 . 19 . . 6 C H5 . 18035 1
20 . 1 1 6 6 C H6 H 1 7.699 0.008 . 1 . 20 . . 6 C H6 . 18035 1
21 . 1 1 7 7 G H1' H 1 5.650 0.003 . 1 . 21 . . 7 G H1' . 18035 1
22 . 1 1 7 7 G H2' H 1 4.027 0.006 . 1 . 22 . . 7 G H2' . 18035 1
23 . 1 1 7 7 G H3' H 1 4.231 0.01 . 1 . 23 . . 7 G H3' . 18035 1
24 . 1 1 7 7 G H8 H 1 7.455 0.005 . 1 . 24 . . 7 G H8 . 18035 1
25 . 1 1 8 8 G H1' H 1 5.686 0.006 . 1 . 25 . . 8 G H1' . 18035 1
26 . 1 1 8 8 G H3' H 1 4.387 0.001 . 1 . 26 . . 8 G H3' . 18035 1
27 . 1 1 8 8 G H8 H 1 7.232 0.046 . 1 . 27 . . 8 G H8 . 18035 1
28 . 1 1 9 9 C H1' H 1 5.546 0.012 . 1 . 28 . . 9 C H1' . 18035 1
29 . 1 1 9 9 C H2' H 1 4.220 0.02 . 1 . 29 . . 9 C H2' . 18035 1
30 . 1 1 9 9 C H3' H 1 3.981 . . 1 . 30 . . 9 C H3' . 18035 1
31 . 1 1 9 9 C H5 H 1 5.039 0.008 . 1 . 31 . . 9 C H5 . 18035 1
32 . 1 1 9 9 C H6 H 1 7.350 0.012 . 1 . 32 . . 9 C H6 . 18035 1
33 . 1 1 10 10 U H1' H 1 5.384 0.056 . 1 . 33 . . 10 U H1' . 18035 1
34 . 1 1 10 10 U H2' H 1 4.242 0.024 . 1 . 34 . . 10 U H2' . 18035 1
35 . 1 1 10 10 U H3' H 1 4.330 0.134 . 1 . 35 . . 10 U H3' . 18035 1
36 . 1 1 10 10 U H4' H 1 4.023 0.007 . 1 . 36 . . 10 U H4' . 18035 1
37 . 1 1 10 10 U H5 H 1 5.566 0.024 . 1 . 37 . . 10 U H5 . 18035 1
38 . 1 1 10 10 U H6 H 1 7.556 0.116 . 1 . 38 . . 10 U H6 . 18035 1
39 . 1 1 11 11 G H1' H 1 5.751 0.254 . 1 . 39 . . 11 G H1' . 18035 1
40 . 1 1 11 11 G H2' H 1 4.159 0.034 . 1 . 40 . . 11 G H2' . 18035 1
41 . 1 1 11 11 G H3' H 1 4.429 0.237 . 1 . 41 . . 11 G H3' . 18035 1
42 . 1 1 11 11 G H4' H 1 4.223 . . 1 . 42 . . 11 G H4' . 18035 1
43 . 1 1 11 11 G H8 H 1 7.735 0.037 . 1 . 43 . . 11 G H8 . 18035 1
44 . 1 1 12 12 A H1' H 1 5.834 0.013 . 1 . 44 . . 12 A H1' . 18035 1
45 . 1 1 12 12 A H2 H 1 8.053 0.006 . 1 . 45 . . 12 A H2 . 18035 1
46 . 1 1 12 12 A H2' H 1 4.296 0.061 . 1 . 46 . . 12 A H2' . 18035 1
47 . 1 1 12 12 A H3' H 1 4.171 0.073 . 1 . 47 . . 12 A H3' . 18035 1
48 . 1 1 12 12 A H4' H 1 3.833 0.222 . 1 . 48 . . 12 A H4' . 18035 1
49 . 1 1 12 12 A H8 H 1 8.072 0.038 . 1 . 49 . . 12 A H8 . 18035 1
50 . 1 1 13 13 C H1' H 1 5.247 0.02 . 1 . 50 . . 13 C H1' . 18035 1
51 . 1 1 13 13 C H5 H 1 5.607 0.015 . 1 . 51 . . 13 C H5 . 18035 1
52 . 1 1 13 13 C H6 H 1 7.751 0.047 . 1 . 52 . . 13 C H6 . 18035 1
53 . 1 1 14 14 G H1' H 1 4.963 0.034 . 1 . 53 . . 14 G H1' . 18035 1
54 . 1 1 14 14 G H2' H 1 4.218 0.044 . 1 . 54 . . 14 G H2' . 18035 1
55 . 1 1 14 14 G H3' H 1 4.243 0.042 . 1 . 55 . . 14 G H3' . 18035 1
56 . 1 1 14 14 G H8 H 1 7.754 0.013 . 1 . 56 . . 14 G H8 . 18035 1
57 . 1 1 15 15 C H1' H 1 5.338 0.146 . 1 . 57 . . 15 C H1' . 18035 1
58 . 1 1 15 15 C H2' H 1 4.229 0.007 . 1 . 58 . . 15 C H2' . 18035 1
59 . 1 1 15 15 C H3' H 1 4.025 0.009 . 1 . 59 . . 15 C H3' . 18035 1
60 . 1 1 15 15 C H5 H 1 5.188 0.01 . 1 . 60 . . 15 C H5 . 18035 1
61 . 1 1 15 15 C H6 H 1 7.522 0.835 . 1 . 61 . . 15 C H6 . 18035 1
62 . 1 1 16 16 U H1' H 1 5.694 0.007 . 1 . 62 . . 16 U H1' . 18035 1
63 . 1 1 16 16 U H2' H 1 4.404 0.003 . 1 . 63 . . 16 U H2' . 18035 1
64 . 1 1 16 16 U H5 H 1 5.645 0.008 . 1 . 64 . . 16 U H5 . 18035 1
65 . 1 1 16 16 U H6 H 1 7.718 0.062 . 1 . 65 . . 16 U H6 . 18035 1
66 . 1 1 17 17 G H1' H 1 5.718 0.009 . 1 . 66 . . 17 G H1' . 18035 1
67 . 1 1 17 17 G H2' H 1 4.421 0.002 . 1 . 67 . . 17 G H2' . 18035 1
68 . 1 1 17 17 G H3' H 1 4.004 0.01 . 1 . 68 . . 17 G H3' . 18035 1
69 . 1 1 17 17 G H8 H 1 7.165 0.153 . 1 . 69 . . 17 G H8 . 18035 1
70 . 1 1 18 18 G H1' H 1 5.704 0.002 . 1 . 70 . . 18 G H1' . 18035 1
71 . 1 1 18 18 G H2' H 1 4.316 0.009 . 1 . 71 . . 18 G H2' . 18035 1
72 . 1 1 18 18 G H8 H 1 7.848 0.018 . 1 . 72 . . 18 G H8 . 18035 1
73 . 1 1 19 19 G H1' H 1 5.705 0.017 . 1 . 73 . . 19 G H1' . 18035 1
74 . 1 1 19 19 G H8 H 1 7.630 0.178 . 1 . 74 . . 19 G H8 . 18035 1
75 . 1 1 20 20 U H1' H 1 5.052 . . 1 . 75 . . 20 U H1' . 18035 1
76 . 1 1 20 20 U H2' H 1 4.023 0.008 . 1 . 76 . . 20 U H2' . 18035 1
77 . 1 1 20 20 U H3' H 1 4.018 0.004 . 1 . 77 . . 20 U H3' . 18035 1
78 . 1 1 20 20 U H5 H 1 5.051 0.006 . 1 . 78 . . 20 U H5 . 18035 1
79 . 1 1 20 20 U H6 H 1 7.742 0.007 . 1 . 79 . . 20 U H6 . 18035 1
80 . 1 1 21 21 C H1' H 1 5.568 0.002 . 1 . 80 . . 21 C H1' . 18035 1
81 . 1 1 21 21 C H2' H 1 4.082 0.026 . 1 . 81 . . 21 C H2' . 18035 1
82 . 1 1 21 21 C H3' H 1 4.320 0.001 . 1 . 82 . . 21 C H3' . 18035 1
83 . 1 1 21 21 C H5 H 1 5.624 0.006 . 1 . 83 . . 21 C H5 . 18035 1
84 . 1 1 21 21 C H6 H 1 7.836 0.498 . 1 . 84 . . 21 C H6 . 18035 1
85 . 1 1 22 22 C H1' H 1 5.662 0.084 . 1 . 85 . . 22 C H1' . 18035 1
86 . 1 1 22 22 C H2' H 1 3.876 0.001 . 1 . 86 . . 22 C H2' . 18035 1
87 . 1 1 22 22 C H5 H 1 5.551 0.006 . 1 . 87 . . 22 C H5 . 18035 1
88 . 1 1 22 22 C H6 H 1 7.649 0.009 . 1 . 88 . . 22 C H6 . 18035 1
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