Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6101
_Assigned_chem_shift_list.ID 1
_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_reference
_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 . 6101 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 NLE H H 1 6.41 . . 1 . . A . 1 . . . 6101 1
2 . 1 1 1 1 NLE HA H 1 4.23 . . 1 . . A . 1 . . . 6101 1
3 . 1 1 1 1 NLE HB2 H 1 1.70 . . 2 . . A . 1 . . . 6101 1
4 . 1 1 1 1 NLE HG2 H 1 1.95 . . 2 . . A . 1 . . . 6101 1
5 . 1 1 1 1 NLE HD2 H 1 1.31 . . 2 . . A . 1 . . . 6101 1
6 . 1 1 1 1 NLE HE1 H 1 0.86 . . 2 . . A . 1 . . . 6101 1
7 . 1 1 1 1 NLE CA C 13 54.3 . . 1 . . A . 1 . . . 6101 1
8 . 1 1 2 2 DNE H H 1 7.67 . . 1 . . A . 2 . . . 6101 1
9 . 1 1 2 2 DNE HA H 1 4.83 . . 1 . . A . 2 . . . 6101 1
10 . 1 1 2 2 DNE HB2 H 1 1.82 . . 2 . . A . 2 . . . 6101 1
11 . 1 1 2 2 DNE HD2 H 1 1.31 . . 2 . . A . 2 . . . 6101 1
12 . 1 1 2 2 DNE HE1 H 1 0.88 . . 2 . . A . 2 . . . 6101 1
13 . 1 1 2 2 DNE CA C 13 52.6 . . 1 . . A . 2 . . . 6101 1
14 . 1 1 3 3 NLE H H 1 8.30 . . 1 . . A . 3 . . . 6101 1
15 . 1 1 3 3 NLE HA H 1 4.99 . . 1 . . A . 3 . . . 6101 1
16 . 1 1 3 3 NLE HB2 H 1 1.59 . . 2 . . A . 3 . . . 6101 1
17 . 1 1 3 3 NLE HG2 H 1 1.73 . . 2 . . A . 3 . . . 6101 1
18 . 1 1 3 3 NLE HD2 H 1 1.35 . . 2 . . A . 3 . . . 6101 1
19 . 1 1 3 3 NLE HE1 H 1 0.86 . . 2 . . A . 3 . . . 6101 1
20 . 1 1 3 3 NLE CA C 13 50.1 . . 1 . . A . 3 . . . 6101 1
21 . 1 1 4 4 DNE H H 1 8.60 . . 1 . . A . 4 . . . 6101 1
22 . 1 1 4 4 DNE HA H 1 4.73 . . 1 . . A . 4 . . . 6101 1
23 . 1 1 4 4 DNE HB2 H 1 1.49 . . 2 . . A . 4 . . . 6101 1
24 . 1 1 4 4 DNE HD2 H 1 1.25 . . 2 . . A . 4 . . . 6101 1
25 . 1 1 4 4 DNE HE1 H 1 0.88 . . 2 . . A . 4 . . . 6101 1
26 . 1 1 4 4 DNE CA C 13 51.2 . . 1 . . A . 4 . . . 6101 1
27 . 1 1 5 5 NLE H H 1 8.70 . . 1 . . A . 5 . . . 6101 1
28 . 1 1 5 5 NLE HA H 1 4.79 . . 1 . . A . 5 . . . 6101 1
29 . 1 1 5 5 NLE HB2 H 1 1.60 . . 2 . . A . 5 . . . 6101 1
30 . 1 1 5 5 NLE HG2 H 1 1.66 . . 2 . . A . 5 . . . 6101 1
31 . 1 1 5 5 NLE HD2 H 1 1.30 . . 2 . . A . 5 . . . 6101 1
32 . 1 1 5 5 NLE HE1 H 1 0.86 . . 2 . . A . 5 . . . 6101 1
33 . 1 1 5 5 NLE CA C 13 50.9 . . 1 . . A . 5 . . . 6101 1
34 . 1 1 6 6 DNE H H 1 8.60 . . 1 . . A . 6 . . . 6101 1
35 . 1 1 6 6 DNE HA H 1 4.84 . . 1 . . A . 6 . . . 6101 1
36 . 1 1 6 6 DNE HB2 H 1 1.70 . . 2 . . A . 6 . . . 6101 1
37 . 1 1 6 6 DNE HD2 H 1 1.28 . . 2 . . A . 6 . . . 6101 1
38 . 1 1 6 6 DNE HE1 H 1 0.86 . . 2 . . A . 6 . . . 6101 1
39 . 1 1 6 6 DNE CA C 13 51.9 . . 1 . . A . 6 . . . 6101 1
40 . 1 1 7 7 NLE H H 1 9.14 . . 1 . . A . 7 . . . 6101 1
41 . 1 1 7 7 NLE HA H 1 5.00 . . 1 . . A . 7 . . . 6101 1
42 . 1 1 7 7 NLE HB2 H 1 1.61 . . 2 . . A . 7 . . . 6101 1
43 . 1 1 7 7 NLE HG2 H 1 1.64 . . 2 . . A . 7 . . . 6101 1
44 . 1 1 7 7 NLE HD2 H 1 1.30 . . 2 . . A . 7 . . . 6101 1
45 . 1 1 7 7 NLE HE1 H 1 0.85 . . 2 . . A . 7 . . . 6101 1
46 . 1 1 7 7 NLE CA C 13 50.6 . . 1 . . A . 7 . . . 6101 1
47 . 1 1 8 8 DNE H H 1 8.50 . . 1 . . A . 8 . . . 6101 1
48 . 1 1 8 8 DNE HA H 1 4.77 . . 1 . . A . 8 . . . 6101 1
49 . 1 1 8 8 DNE HB2 H 1 1.72 . . 2 . . A . 8 . . . 6101 1
50 . 1 1 8 8 DNE HG2 H 1 1.71 . . 2 . . A . 8 . . . 6101 1
51 . 1 1 8 8 DNE HD2 H 1 1.26 . . 2 . . A . 8 . . . 6101 1
52 . 1 1 8 8 DNE HE1 H 1 0.91 . . 2 . . A . 8 . . . 6101 1
53 . 1 1 8 8 DNE CA C 13 52.2 . . 1 . . A . 8 . . . 6101 1
54 . 1 1 9 9 NLE H H 1 9.14 . . 1 . . A . 9 . . . 6101 1
55 . 1 1 9 9 NLE HA H 1 4.56 . . 1 . . A . 9 . . . 6101 1
56 . 1 1 9 9 NLE HB2 H 1 1.76 . . 2 . . A . 9 . . . 6101 1
57 . 1 1 9 9 NLE HG2 H 1 1.69 . . 2 . . A . 9 . . . 6101 1
58 . 1 1 9 9 NLE HD2 H 1 1.40 . . 2 . . A . 9 . . . 6101 1
59 . 1 1 9 9 NLE HE1 H 1 0.88 . . 2 . . A . 9 . . . 6101 1
60 . 1 1 9 9 NLE CA C 13 51.4 . . 1 . . A . 9 . . . 6101 1
61 . 1 1 10 10 DNE H H 1 8.29 . . 1 . . A . 10 . . . 6101 1
62 . 1 1 10 10 DNE HA H 1 4.95 . . 1 . . A . 10 . . . 6101 1
63 . 1 1 10 10 DNE HB2 H 1 1.92 . . 2 . . A . 10 . . . 6101 1
64 . 1 1 10 10 DNE HG2 H 1 1.80 . . 2 . . A . 10 . . . 6101 1
65 . 1 1 10 10 DNE HD2 H 1 1.23 . . 2 . . A . 10 . . . 6101 1
66 . 1 1 10 10 DNE CA C 13 52.4 . . 1 . . A . 10 . . . 6101 1
67 . 1 1 11 11 NLE H H 1 9.02 . . 1 . . A . 11 . . . 6101 1
68 . 1 1 11 11 NLE HA H 1 4.96 . . 1 . . A . 11 . . . 6101 1
69 . 1 1 11 11 NLE HB2 H 1 1.51 . . 2 . . A . 11 . . . 6101 1
70 . 1 1 11 11 NLE HG2 H 1 1.54 . . 2 . . A . 11 . . . 6101 1
71 . 1 1 11 11 NLE HD2 H 1 1.28 . . 2 . . A . 11 . . . 6101 1
72 . 1 1 11 11 NLE HE1 H 1 0.84 . . 2 . . A . 11 . . . 6101 1
73 . 1 1 11 11 NLE CA C 13 47.9 . . 1 . . A . 11 . . . 6101 1
74 . 1 1 12 12 DNM HA H 1 5.09 . . 1 . . A . 12 . . . 6101 1
75 . 1 1 12 12 DNM HB2 H 1 1.90 . . 2 . . A . 12 . . . 6101 1
76 . 1 1 12 12 DNM HG2 H 1 1.44 . . 2 . . A . 12 . . . 6101 1
77 . 1 1 12 12 DNM HD2 H 1 1.25 . . 2 . . A . 12 . . . 6101 1
78 . 1 1 12 12 DNM HD3 H 1 1.19 . . 2 . . A . 12 . . . 6101 1
79 . 1 1 12 12 DNM HE1 H 1 0.86 . . 2 . . A . 12 . . . 6101 1
80 . 1 1 12 12 DNM CA C 13 55.9 . . 1 . . A . 12 . . . 6101 1
81 . 1 1 13 13 NLE H H 1 9.35 . . 1 . . A . 13 . . . 6101 1
82 . 1 1 13 13 NLE HA H 1 4.47 . . 1 . . A . 13 . . . 6101 1
83 . 1 1 13 13 NLE HB2 H 1 1.66 . . 2 . . A . 13 . . . 6101 1
84 . 1 1 13 13 NLE HG2 H 1 1.72 . . 2 . . A . 13 . . . 6101 1
85 . 1 1 13 13 NLE HD2 H 1 1.30 . . 2 . . A . 13 . . . 6101 1
86 . 1 1 13 13 NLE HE1 H 1 0.88 . . 2 . . A . 13 . . . 6101 1
87 . 1 1 13 13 NLE CA C 13 52.0 . . 1 . . A . 13 . . . 6101 1
88 . 1 1 14 14 DNE H H 1 6.67 . . 1 . . A . 14 . . . 6101 1
89 . 1 1 14 14 DNE HA H 1 4.90 . . 1 . . A . 14 . . . 6101 1
90 . 1 1 14 14 DNE HB2 H 1 1.77 . . 2 . . A . 14 . . . 6101 1
91 . 1 1 14 14 DNE HD2 H 1 1.32 . . 2 . . A . 14 . . . 6101 1
92 . 1 1 14 14 DNE HE1 H 1 0.88 . . 2 . . A . 14 . . . 6101 1
93 . 1 1 14 14 DNE CA C 13 52.5 . . 1 . . A . 14 . . . 6101 1
94 . 1 1 15 15 NLE H H 1 8.44 . . 1 . . A . 15 . . . 6101 1
95 . 1 1 15 15 NLE HA H 1 4.50 . . 1 . . A . 15 . . . 6101 1
96 . 1 1 15 15 NLE HB2 H 1 1.76 . . 2 . . A . 15 . . . 6101 1
97 . 1 1 15 15 NLE HG2 H 1 1.86 . . 2 . . A . 15 . . . 6101 1
98 . 1 1 15 15 NLE HD2 H 1 1.38 . . 2 . . A . 15 . . . 6101 1
99 . 1 1 15 15 NLE HE1 H 1 0.91 . . 2 . . A . 15 . . . 6101 1
100 . 1 1 15 15 NLE CA C 13 51.3 . . 1 . . A . 15 . . . 6101 1
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