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 6720
_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 . 6720 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 ARG HA H 1 3.940 0.01 . 1 . . . . . . . . 6720 1
2 . 1 1 1 1 ARG HB2 H 1 1.770 0.01 . 2 . . . . . . . . 6720 1
3 . 1 1 1 1 ARG HB3 H 1 1.590 0.01 . 2 . . . . . . . . 6720 1
4 . 1 1 2 2 ASP H H 1 8.910 0.01 . 1 . . . . . . . . 6720 1
5 . 1 1 2 2 ASP HA H 1 4.720 0.01 . 1 . . . . . . . . 6720 1
6 . 1 1 2 2 ASP HB2 H 1 2.710 0.01 . 1 . . . . . . . . 6720 1
7 . 1 1 2 2 ASP HB3 H 1 2.470 0.01 . 1 . . . . . . . . 6720 1
8 . 1 1 3 3 PRO HA H 1 4.300 0.01 . 1 . . . . . . . . 6720 1
9 . 1 1 3 3 PRO HB2 H 1 2.350 0.01 . 2 . . . . . . . . 6720 1
10 . 1 1 3 3 PRO HG2 H 1 2.010 0.01 . 2 . . . . . . . . 6720 1
11 . 1 1 3 3 PRO HD2 H 1 3.860 0.01 . 2 . . . . . . . . 6720 1
12 . 1 1 3 3 PRO HD3 H 1 3.730 0.01 . 2 . . . . . . . . 6720 1
13 . 1 1 4 4 CYS H H 1 9.490 0.01 . 1 . . . . . . . . 6720 1
14 . 1 1 4 4 CYS HA H 1 4.390 0.01 . 1 . . . . . . . . 6720 1
15 . 1 1 4 4 CYS HB2 H 1 3.280 0.01 . 2 . . . . . . . . 6720 1
16 . 1 1 4 4 CYS HB3 H 1 2.480 0.01 . 2 . . . . . . . . 6720 1
17 . 1 1 5 5 CYS H H 1 7.760 0.01 . 1 . . . . . . . . 6720 1
18 . 1 1 5 5 CYS HA H 1 4.960 0.01 . 1 . . . . . . . . 6720 1
19 . 1 1 5 5 CYS HB2 H 1 3.450 0.01 . 2 . . . . . . . . 6720 1
20 . 1 1 5 5 CYS HB3 H 1 2.610 0.01 . 2 . . . . . . . . 6720 1
21 . 1 1 6 6 SER H H 1 7.640 0.01 . 1 . . . . . . . . 6720 1
22 . 1 1 6 6 SER HA H 1 4.590 0.01 . 1 . . . . . . . . 6720 1
23 . 1 1 6 6 SER HB2 H 1 3.940 0.01 . 2 . . . . . . . . 6720 1
24 . 1 1 6 6 SER HB3 H 1 3.890 0.01 . 2 . . . . . . . . 6720 1
25 . 1 1 7 7 ASN H H 1 7.900 0.01 . 1 . . . . . . . . 6720 1
26 . 1 1 7 7 ASN HA H 1 5.280 0.01 . 1 . . . . . . . . 6720 1
27 . 1 1 7 7 ASN HB2 H 1 3.140 0.01 . 2 . . . . . . . . 6720 1
28 . 1 1 7 7 ASN HB3 H 1 2.770 0.01 . 2 . . . . . . . . 6720 1
29 . 1 1 8 8 PRO HA H 1 4.240 0.01 . 1 . . . . . . . . 6720 1
30 . 1 1 8 8 PRO HB2 H 1 2.340 0.01 . 2 . . . . . . . . 6720 1
31 . 1 1 8 8 PRO HG2 H 1 2.070 0.01 . 2 . . . . . . . . 6720 1
32 . 1 1 8 8 PRO HG3 H 1 2.010 0.01 . 2 . . . . . . . . 6720 1
33 . 1 1 8 8 PRO HD2 H 1 3.940 0.01 . 2 . . . . . . . . 6720 1
34 . 1 1 8 8 PRO HD3 H 1 3.910 0.01 . 2 . . . . . . . . 6720 1
35 . 1 1 9 9 VAL H H 1 7.490 0.01 . 1 . . . . . . . . 6720 1
36 . 1 1 9 9 VAL HA H 1 3.720 0.01 . 1 . . . . . . . . 6720 1
37 . 1 1 9 9 VAL HG11 H 1 0.960 0.01 . 1 . . . . . . . . 6720 1
38 . 1 1 9 9 VAL HG12 H 1 0.960 0.01 . 1 . . . . . . . . 6720 1
39 . 1 1 9 9 VAL HG13 H 1 0.960 0.01 . 1 . . . . . . . . 6720 1
40 . 1 1 9 9 VAL HB H 1 2.050 0.01 . 1 . . . . . . . . 6720 1
41 . 1 1 9 9 VAL HG21 H 1 0.830 0.01 . 1 . . . . . . . . 6720 1
42 . 1 1 9 9 VAL HG22 H 1 0.830 0.01 . 1 . . . . . . . . 6720 1
43 . 1 1 9 9 VAL HG23 H 1 0.830 0.01 . 1 . . . . . . . . 6720 1
44 . 1 1 10 10 CYS H H 1 7.890 0.01 . 1 . . . . . . . . 6720 1
45 . 1 1 10 10 CYS HA H 1 4.180 0.01 . 1 . . . . . . . . 6720 1
46 . 1 1 10 10 CYS HB2 H 1 3.220 0.01 . 2 . . . . . . . . 6720 1
47 . 1 1 11 11 THR H H 1 8.650 0.01 . 1 . . . . . . . . 6720 1
48 . 1 1 11 11 THR HA H 1 4.140 0.01 . 1 . . . . . . . . 6720 1
49 . 1 1 11 11 THR HB H 1 3.750 0.01 . 1 . . . . . . . . 6720 1
50 . 1 1 11 11 THR HG21 H 1 1.050 0.01 . 1 . . . . . . . . 6720 1
51 . 1 1 11 11 THR HG22 H 1 1.050 0.01 . 1 . . . . . . . . 6720 1
52 . 1 1 11 11 THR HG23 H 1 1.050 0.01 . 1 . . . . . . . . 6720 1
53 . 1 1 12 12 VAL H H 1 7.290 0.01 . 1 . . . . . . . . 6720 1
54 . 1 1 12 12 VAL HA H 1 3.780 0.01 . 1 . . . . . . . . 6720 1
55 . 1 1 12 12 VAL HB H 1 2.030 0.01 . 1 . . . . . . . . 6720 1
56 . 1 1 12 12 VAL HG11 H 1 0.930 0.01 . 1 . . . . . . . . 6720 1
57 . 1 1 12 12 VAL HG12 H 1 0.930 0.01 . 1 . . . . . . . . 6720 1
58 . 1 1 12 12 VAL HG13 H 1 0.930 0.01 . 1 . . . . . . . . 6720 1
59 . 1 1 12 12 VAL HG21 H 1 0.790 0.01 . 1 . . . . . . . . 6720 1
60 . 1 1 12 12 VAL HG22 H 1 0.790 0.01 . 1 . . . . . . . . 6720 1
61 . 1 1 12 12 VAL HG23 H 1 0.790 0.01 . 1 . . . . . . . . 6720 1
62 . 1 1 13 13 HIS H H 1 7.380 0.01 . 1 . . . . . . . . 6720 1
63 . 1 1 13 13 HIS HA H 1 4.570 0.01 . 1 . . . . . . . . 6720 1
64 . 1 1 13 13 HIS HB2 H 1 3.410 0.01 . 1 . . . . . . . . 6720 1
65 . 1 1 13 13 HIS HB3 H 1 3.100 0.01 . 1 . . . . . . . . 6720 1
66 . 1 1 14 14 ASN H H 1 7.590 0.01 . 1 . . . . . . . . 6720 1
67 . 1 1 14 14 ASN HA H 1 5.480 0.01 . 1 . . . . . . . . 6720 1
68 . 1 1 14 14 ASN HB2 H 1 2.660 0.01 . 2 . . . . . . . . 6720 1
69 . 1 1 14 14 ASN HB3 H 1 2.580 0.01 . 2 . . . . . . . . 6720 1
70 . 1 1 15 15 PRO HA H 1 4.410 0.01 . 1 . . . . . . . . 6720 1
71 . 1 1 15 15 PRO HB2 H 1 2.260 0.01 . 2 . . . . . . . . 6720 1
72 . 1 1 15 15 PRO HG2 H 1 1.980 0.01 . 2 . . . . . . . . 6720 1
73 . 1 1 15 15 PRO HD2 H 1 3.700 0.01 . 2 . . . . . . . . 6720 1
74 . 1 1 15 15 PRO HD3 H 1 3.400 0.01 . 2 . . . . . . . . 6720 1
75 . 1 1 16 16 GLN H H 1 9.120 0.01 . 1 . . . . . . . . 6720 1
76 . 1 1 16 16 GLN HA H 1 4.190 0.01 . 1 . . . . . . . . 6720 1
77 . 1 1 16 16 GLN HB2 H 1 2.090 0.01 . 2 . . . . . . . . 6720 1
78 . 1 1 16 16 GLN HG2 H 1 2.550 0.01 . 1 . . . . . . . . 6720 1
79 . 1 1 16 16 GLN HG3 H 1 2.330 0.01 . 1 . . . . . . . . 6720 1
80 . 1 1 17 17 ILE H H 1 7.260 0.01 . 1 . . . . . . . . 6720 1
81 . 1 1 17 17 ILE HA H 1 4.190 0.01 . 1 . . . . . . . . 6720 1
82 . 1 1 17 17 ILE HB H 1 1.860 0.01 . 1 . . . . . . . . 6720 1
83 . 1 1 17 17 ILE HG21 H 1 1.080 0.01 . 1 . . . . . . . . 6720 1
84 . 1 1 17 17 ILE HG22 H 1 1.080 0.01 . 1 . . . . . . . . 6720 1
85 . 1 1 17 17 ILE HG23 H 1 1.080 0.01 . 1 . . . . . . . . 6720 1
86 . 1 1 17 17 ILE HG12 H 1 1.580 0.01 . 1 . . . . . . . . 6720 1
87 . 1 1 18 18 CYS H H 1 7.660 0.01 . 1 . . . . . . . . 6720 1
88 . 1 1 18 18 CYS HA H 1 4.900 0.01 . 1 . . . . . . . . 6720 1
89 . 1 1 18 18 CYS HB2 H 1 3.330 0.01 . 2 . . . . . . . . 6720 1
90 . 1 1 18 18 CYS HB3 H 1 2.580 0.01 . 2 . . . . . . . . 6720 1
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