Content for NMR-STAR saveframe, "chemical_shift_set_2"
save_chemical_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2
_Assigned_chem_shift_list.Entry_ID 4746
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_ref_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 $sample_1 . 4746 2
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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 . 3 2 1 1 1GL C1 C 13 99.75 0.084 . 1 . . . . . . . . 4746 2
2 . 3 2 1 1 1GL H1 H 1 8.45 0.018 . 1 . . . . . . . . 4746 2
3 . 3 2 1 1 1GL C2 C 13 36.31 0.114 . 1 . . . . . . . . 4746 2
4 . 3 2 1 1 1GL H2A H 1 4.07 0.027 . 1 . . . . . . . . 4746 2
5 . 3 2 1 1 1GL H2E H 1 4.42 0.022 . 1 . . . . . . . . 4746 2
6 . 3 2 1 1 1GL C3 C 13 71.04 0.138 . 1 . . . . . . . . 4746 2
7 . 3 2 1 1 1GL H3 H 1 7.11 0.025 . 1 . . . . . . . . 4746 2
8 . 3 2 1 1 1GL C4 C 13 86.04 0.090 . 1 . . . . . . . . 4746 2
9 . 3 2 1 1 1GL H4 H 1 5.43 0.019 . 1 . . . . . . . . 4746 2
10 . 3 2 1 1 1GL CME C 13 65.69 0.080 . 1 . . . . . . . . 4746 2
11 . 3 2 1 1 1GL HM4 H 1 4.76 0.013 . 1 . . . . . . . . 4746 2
12 . 3 2 1 1 1GL C5 C 13 72.84 0.144 . 1 . . . . . . . . 4746 2
13 . 3 2 1 1 1GL H5 H 1 7.31 0.028 . 1 . . . . . . . . 4746 2
14 . 3 2 1 1 1GL C6 C 13 21.50 0.107 . 1 . . . . . . . . 4746 2
15 . 3 2 1 1 1GL HM6 H 1 3.21 0.022 . 1 . . . . . . . . 4746 2
16 . 3 2 2 2 2GL C1 C 13 112.40 0.181 . 1 . . . . . . . . 4746 2
17 . 3 2 2 2 2GL H1 H 1 18.13 0.041 . 1 . . . . . . . . 4746 2
18 . 3 2 2 2 2GL C2 C 13 44.61 0.134 . 1 . . . . . . . . 4746 2
19 . 3 2 2 2 2GL H2A H 1 10.49 0.030 . 1 . . . . . . . . 4746 2
20 . 3 2 2 2 2GL H2E H 1 10.64 0.042 . 1 . . . . . . . . 4746 2
21 . 3 2 2 2 2GL C3 C 13 76.68 0.185 . 1 . . . . . . . . 4746 2
22 . 3 2 2 2 2GL H3 H 1 9.77 0.033 . 1 . . . . . . . . 4746 2
23 . 3 2 2 2 2GL C4 C 13 76.79 0.073 . 1 . . . . . . . . 4746 2
24 . 3 2 2 2 2GL H4 H 1 9.90 0.018 . 1 . . . . . . . . 4746 2
25 . 3 2 2 2 2GL CME C 13 27.54 0.082 . 1 . . . . . . . . 4746 2
26 . 3 2 2 2 2GL HM4 H 1 6.46 0.017 . 1 . . . . . . . . 4746 2
27 . 3 2 2 2 2GL C5 C 13 80.49 0.129 . 1 . . . . . . . . 4746 2
28 . 3 2 2 2 2GL H5 H 1 11.20 0.031 . 1 . . . . . . . . 4746 2
29 . 3 2 2 2 2GL C6 C 13 25.97 0.106 . 1 . . . . . . . . 4746 2
30 . 3 2 2 2 2GL HM6 H 1 7.48 0.024 . 1 . . . . . . . . 4746 2
31 . 3 2 3 3 DXB H2 H 1 -59.28 0.375 . 1 . . . . . . . . 4746 2
32 . 3 2 3 3 DXB H3 H 1 -19.06 0.135 . 1 . . . . . . . . 4746 2
33 . 3 2 3 3 DXB H4A H 1 -8.82 0.111 . 1 . . . . . . . . 4746 2
34 . 3 2 3 3 DXB H4E H 1 -1.41 0.066 . 1 . . . . . . . . 4746 2
35 . 3 2 3 3 DXB H5 H 1 32.16 0.057 . 1 . . . . . . . . 4746 2
36 . 3 2 3 3 DXB CC7 C 13 36.67 0.331 . 1 . . . . . . . . 4746 2
37 . 3 2 3 3 DXB HM7 H 1 26.93 0.084 . 1 . . . . . . . . 4746 2
38 . 3 2 3 3 DXB H10 H 1 15.25 0.074 . 1 . . . . . . . . 4746 2
39 . 3 2 3 3 DXB C1S C 13 118.15 0.227 . 1 . . . . . . . . 4746 2
40 . 3 2 3 3 DXB HS1 H 1 -11.45 0.056 . 1 . . . . . . . . 4746 2
41 . 3 2 3 3 DXB CME C 13 51.55 0.111 . 1 . . . . . . . . 4746 2
42 . 3 2 3 3 DXB HM1 H 1 -5.60 0.028 . 1 . . . . . . . . 4746 2
43 . 3 2 3 3 DXB C3S C 13 74.50 0.098 . 1 . . . . . . . . 4746 2
44 . 3 2 3 3 DXB HS3 H 1 -3.21 0.024 . 1 . . . . . . . . 4746 2
45 . 3 2 3 3 DXB C4S C 13 65.69 0.139 . 1 . . . . . . . . 4746 2
46 . 3 2 3 3 DXB HS4 H 1 -1.69 0.033 . 1 . . . . . . . . 4746 2
47 . 3 2 3 3 DXB C5S C 13 16.72 0.107 . 1 . . . . . . . . 4746 2
48 . 3 2 3 3 DXB HM5 H 1 -3.16 0.021 . 1 . . . . . . . . 4746 2
49 . 3 2 4 4 1AR C1 C 13 102.98 0.125 . 1 . . . . . . . . 4746 2
50 . 3 2 4 4 1AR H1 H 1 14.84 0.027 . 1 . . . . . . . . 4746 2
51 . 3 2 4 4 1AR C2 C 13 51.90 0.097 . 1 . . . . . . . . 4746 2
52 . 3 2 4 4 1AR H2A H 1 6.98 0.031 . 1 . . . . . . . . 4746 2
53 . 3 2 4 4 1AR H2E H 1 6.90 0.024 . 1 . . . . . . . . 4746 2
54 . 3 2 4 4 1AR CC3 C 13 28.47 0.086 . 1 . . . . . . . . 4746 2
55 . 3 2 4 4 1AR HM3 H 1 6.03 0.020 . 1 . . . . . . . . 4746 2
56 . 3 2 4 4 1AR C4 C 13 87.58 0.124 . 1 . . . . . . . . 4746 2
57 . 3 2 4 4 1AR H4 H 1 9.29 0.025 . 1 . . . . . . . . 4746 2
58 . 3 2 4 4 1AR CME C 13 25.89 0.102 . 1 . . . . . . . . 4746 2
59 . 3 2 4 4 1AR HM4 H 1 4.78 0.009 . 1 . . . . . . . . 4746 2
60 . 3 2 4 4 1AR C5 C 13 76.14 0.172 . 1 . . . . . . . . 4746 2
61 . 3 2 4 4 1AR H5 H 1 12.05 0.032 . 1 . . . . . . . . 4746 2
62 . 3 2 4 4 1AR C6 C 13 27.73 0.150 . 1 . . . . . . . . 4746 2
63 . 3 2 4 4 1AR HM6 H 1 8.31 0.025 . 1 . . . . . . . . 4746 2
64 . 3 2 5 5 DDA H1 H 1 45.07 0.160 . 1 . . . . . . . . 4746 2
65 . 3 2 5 5 DDA C2 C 13 56.80 0.195 . 1 . . . . . . . . 4746 2
66 . 3 2 5 5 DDA H2A H 1 13.46 0.051 . 1 . . . . . . . . 4746 2
67 . 3 2 5 5 DDA H2E H 1 23.17 0.516 . 1 . . . . . . . . 4746 2
68 . 3 2 5 5 DDA C3 C 13 89.42 0.100 . 1 . . . . . . . . 4746 2
69 . 3 2 5 5 DDA H3 H 1 21.82 0.055 . 1 . . . . . . . . 4746 2
70 . 3 2 5 5 DDA C4 C 13 90.11 0.137 . 1 . . . . . . . . 4746 2
71 . 3 2 5 5 DDA H4 H 1 12.13 0.036 . 1 . . . . . . . . 4746 2
72 . 3 2 5 5 DDA HO4 H 1 14.63 0.045 . 1 . . . . . . . . 4746 2
73 . 3 2 5 5 DDA C5 C 13 88.35 0.100 . 1 . . . . . . . . 4746 2
74 . 3 2 5 5 DDA H5 H 1 22.68 0.058 . 1 . . . . . . . . 4746 2
75 . 3 2 5 5 DDA C6 C 13 29.64 0.114 . 1 . . . . . . . . 4746 2
76 . 3 2 5 5 DDA HM6 H 1 9.64 0.024 . 1 . . . . . . . . 4746 2
77 . 3 2 6 6 DDA C4 C 13 84.40 0.150 . 1 . . . . . . . . 4746 2
78 . 3 2 6 6 DDA H4 H 1 5.96 0.048 . 1 . . . . . . . . 4746 2
79 . 3 2 6 6 DDA C6 C 13 14.66 0.189 . 1 . . . . . . . . 4746 2
80 . 3 2 6 6 DDA HM6 H 1 -3.84 0.034 . 1 . . . . . . . . 4746 2
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