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 5985
_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 '2D NOESY' 1 $sample_1 . 5985 1
2 '2D TOCSY' 1 $sample_1 . 5985 1
3 DQF-COSY 1 $sample_1 . 5985 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.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 GLY HA2 H 1 3.950 0.01 . 1 . . . . . . . . . 5985 1
2 . 1 1 1 1 GLY HA3 H 1 3.950 0.01 . 1 . . . . . . . . . 5985 1
3 . 1 1 2 2 CYS H H 1 8.960 0.01 . 1 . . . . . . . . . 5985 1
4 . 1 1 2 2 CYS HA H 1 4.670 0.01 . 1 . . . . . . . . . 5985 1
5 . 1 1 2 2 CYS HB2 H 1 3.390 0.01 . 2 . . . . . . . . . 5985 1
6 . 1 1 2 2 CYS HB3 H 1 2.910 0.01 . 2 . . . . . . . . . 5985 1
7 . 1 1 3 3 CYS H H 1 8.700 0.01 . 1 . . . . . . . . . 5985 1
8 . 1 1 3 3 CYS HA H 1 4.500 0.01 . 1 . . . . . . . . . 5985 1
9 . 1 1 3 3 CYS HB2 H 1 3.330 0.01 . 2 . . . . . . . . . 5985 1
10 . 1 1 3 3 CYS HB3 H 1 2.900 0.01 . 2 . . . . . . . . . 5985 1
11 . 1 1 4 4 SER H H 1 8.010 0.01 . 1 . . . . . . . . . 5985 1
12 . 1 1 4 4 SER HA H 1 4.390 0.01 . 1 . . . . . . . . . 5985 1
13 . 1 1 4 4 SER HB2 H 1 3.830 0.01 . 1 . . . . . . . . . 5985 1
14 . 1 1 4 4 SER HB3 H 1 3.830 0.01 . 1 . . . . . . . . . 5985 1
15 . 1 1 5 5 HIS H H 1 8.140 0.01 . 1 . . . . . . . . . 5985 1
16 . 1 1 5 5 HIS HA H 1 5.210 0.01 . 1 . . . . . . . . . 5985 1
17 . 1 1 5 5 HIS HB2 H 1 3.370 0.01 . 1 . . . . . . . . . 5985 1
18 . 1 1 5 5 HIS HB3 H 1 3.370 0.01 . 1 . . . . . . . . . 5985 1
19 . 1 1 5 5 HIS HD2 H 1 7.410 0.01 . 3 . . . . . . . . . 5985 1
20 . 1 1 5 5 HIS HE1 H 1 8.650 0.01 . 3 . . . . . . . . . 5985 1
21 . 1 1 6 6 PRO HA H 1 4.300 0.01 . 1 . . . . . . . . . 5985 1
22 . 1 1 6 6 PRO HB2 H 1 2.410 0.01 . 2 . . . . . . . . . 5985 1
23 . 1 1 6 6 PRO HB3 H 1 2.030 0.01 . 2 . . . . . . . . . 5985 1
24 . 1 1 6 6 PRO HG2 H 1 2.170 0.01 . 2 . . . . . . . . . 5985 1
25 . 1 1 6 6 PRO HG3 H 1 2.040 0.01 . 2 . . . . . . . . . 5985 1
26 . 1 1 6 6 PRO HD2 H 1 3.990 0.01 . 2 . . . . . . . . . 5985 1
27 . 1 1 6 6 PRO HD3 H 1 3.930 0.01 . 2 . . . . . . . . . 5985 1
28 . 1 1 7 7 ALA H H 1 8.610 0.01 . 1 . . . . . . . . . 5985 1
29 . 1 1 7 7 ALA HA H 1 4.250 0.01 . 1 . . . . . . . . . 5985 1
30 . 1 1 7 7 ALA HB1 H 1 1.410 0.01 . 1 . . . . . . . . . 5985 1
31 . 1 1 7 7 ALA HB2 H 1 1.410 0.01 . 1 . . . . . . . . . 5985 1
32 . 1 1 7 7 ALA HB3 H 1 1.410 0.01 . 1 . . . . . . . . . 5985 1
33 . 1 1 8 8 CYS H H 1 7.790 0.01 . 1 . . . . . . . . . 5985 1
34 . 1 1 8 8 CYS HA H 1 4.490 0.01 . 1 . . . . . . . . . 5985 1
35 . 1 1 8 8 CYS HB2 H 1 3.820 0.01 . 2 . . . . . . . . . 5985 1
36 . 1 1 8 8 CYS HB3 H 1 3.290 0.01 . 2 . . . . . . . . . 5985 1
37 . 1 1 9 9 ALA H H 1 8.690 0.01 . 1 . . . . . . . . . 5985 1
38 . 1 1 9 9 ALA HA H 1 4.180 0.01 . 1 . . . . . . . . . 5985 1
39 . 1 1 9 9 ALA HB1 H 1 1.460 0.01 . 1 . . . . . . . . . 5985 1
40 . 1 1 9 9 ALA HB2 H 1 1.460 0.01 . 1 . . . . . . . . . 5985 1
41 . 1 1 9 9 ALA HB3 H 1 1.460 0.01 . 1 . . . . . . . . . 5985 1
42 . 1 1 10 10 GLY H H 1 8.270 0.01 . 1 . . . . . . . . . 5985 1
43 . 1 1 10 10 GLY HA2 H 1 3.930 0.01 . 1 . . . . . . . . . 5985 1
44 . 1 1 10 10 GLY HA3 H 1 3.930 0.01 . 1 . . . . . . . . . 5985 1
45 . 1 1 11 11 ASN H H 1 7.700 0.01 . 1 . . . . . . . . . 5985 1
46 . 1 1 11 11 ASN HA H 1 4.890 0.01 . 1 . . . . . . . . . 5985 1
47 . 1 1 11 11 ASN HB2 H 1 2.970 0.01 . 2 . . . . . . . . . 5985 1
48 . 1 1 11 11 ASN HB3 H 1 2.780 0.01 . 2 . . . . . . . . . 5985 1
49 . 1 1 11 11 ASN HD21 H 1 6.950 0.01 . 2 . . . . . . . . . 5985 1
50 . 1 1 11 11 ASN HD22 H 1 7.580 0.01 . 2 . . . . . . . . . 5985 1
51 . 1 1 12 12 ASN H H 1 8.040 0.01 . 1 . . . . . . . . . 5985 1
52 . 1 1 12 12 ASN HA H 1 4.950 0.01 . 1 . . . . . . . . . 5985 1
53 . 1 1 12 12 ASN HB2 H 1 2.870 0.01 . 2 . . . . . . . . . 5985 1
54 . 1 1 12 12 ASN HB3 H 1 2.670 0.01 . 2 . . . . . . . . . 5985 1
55 . 1 1 12 12 ASN HD21 H 1 7.140 0.01 . 2 . . . . . . . . . 5985 1
56 . 1 1 12 12 ASN HD22 H 1 7.660 0.01 . 2 . . . . . . . . . 5985 1
57 . 1 1 13 13 GLN H H 1 8.550 0.01 . 1 . . . . . . . . . 5985 1
58 . 1 1 13 13 GLN HA H 1 4.120 0.01 . 1 . . . . . . . . . 5985 1
59 . 1 1 13 13 GLN HB2 H 1 2.100 0.01 . 2 . . . . . . . . . 5985 1
60 . 1 1 13 13 GLN HB3 H 1 1.990 0.01 . 2 . . . . . . . . . 5985 1
61 . 1 1 13 13 GLN HG2 H 1 2.380 0.01 . 1 . . . . . . . . . 5985 1
62 . 1 1 13 13 GLN HG3 H 1 2.380 0.01 . 1 . . . . . . . . . 5985 1
63 . 1 1 13 13 GLN HE21 H 1 6.900 0.01 . 2 . . . . . . . . . 5985 1
64 . 1 1 13 13 GLN HE22 H 1 7.520 0.01 . 2 . . . . . . . . . 5985 1
65 . 1 1 14 14 HIS H H 1 8.670 0.01 . 1 . . . . . . . . . 5985 1
66 . 1 1 14 14 HIS HA H 1 4.580 0.01 . 1 . . . . . . . . . 5985 1
67 . 1 1 14 14 HIS HB2 H 1 3.320 0.01 . 1 . . . . . . . . . 5985 1
68 . 1 1 14 14 HIS HB3 H 1 3.320 0.01 . 1 . . . . . . . . . 5985 1
69 . 1 1 14 14 HIS HD2 H 1 7.330 0.01 . 3 . . . . . . . . . 5985 1
70 . 1 1 14 14 HIS HE1 H 1 8.650 0.01 . 3 . . . . . . . . . 5985 1
71 . 1 1 15 15 ILE H H 1 7.710 0.01 . 1 . . . . . . . . . 5985 1
72 . 1 1 15 15 ILE HA H 1 4.210 0.01 . 1 . . . . . . . . . 5985 1
73 . 1 1 15 15 ILE HB H 1 1.920 0.01 . 1 . . . . . . . . . 5985 1
74 . 1 1 15 15 ILE HG12 H 1 1.540 0.01 . 1 . . . . . . . . . 5985 1
75 . 1 1 15 15 ILE HG13 H 1 1.540 0.01 . 1 . . . . . . . . . 5985 1
76 . 1 1 15 15 ILE HG21 H 1 1.190 0.01 . 1 . . . . . . . . . 5985 1
77 . 1 1 15 15 ILE HG22 H 1 1.190 0.01 . 1 . . . . . . . . . 5985 1
78 . 1 1 15 15 ILE HG23 H 1 1.190 0.01 . 1 . . . . . . . . . 5985 1
79 . 1 1 15 15 ILE HD11 H 1 0.920 0.01 . 1 . . . . . . . . . 5985 1
80 . 1 1 15 15 ILE HD12 H 1 0.920 0.01 . 1 . . . . . . . . . 5985 1
81 . 1 1 15 15 ILE HD13 H 1 0.920 0.01 . 1 . . . . . . . . . 5985 1
82 . 1 1 16 16 CYS H H 1 8.200 0.01 . 1 . . . . . . . . . 5985 1
83 . 1 1 16 16 CYS HA H 1 4.800 0.01 . 1 . . . . . . . . . 5985 1
84 . 1 1 16 16 CYS HB2 H 1 3.320 0.01 . 2 . . . . . . . . . 5985 1
85 . 1 1 16 16 CYS HB3 H 1 2.810 0.01 . 2 . . . . . . . . . 5985 1
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save_