Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30607
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 .
_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 1H-1H TOCSY' . . . 30607 1
2 '2D 1H-1H NOESY' . . . 30607 1
3 '2D DQF-COSY' . . . 30607 1
4 '2D 1H-15N HSQC' . . . 30607 1
5 '2D 1H-13C HSQC' . . . 30607 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 SER HA H 1 4.123 0.001 . . . . . . A 1 SER HA . 30607 1
2 . 1 . 1 1 1 SER HB2 H 1 3.879 0.005 . . . . . . A 1 SER HB2 . 30607 1
3 . 1 . 1 1 1 SER HB3 H 1 3.879 0.005 . . . . . . A 1 SER HB3 . 30607 1
4 . 1 . 1 2 2 LYS H H 1 8.610 0.004 . . . . . . A 2 LYS H . 30607 1
5 . 1 . 1 2 2 LYS HA H 1 4.306 0.003 . . . . . . A 2 LYS HA . 30607 1
6 . 1 . 1 2 2 LYS HB2 H 1 1.661 0.008 . . . . . . A 2 LYS HB2 . 30607 1
7 . 1 . 1 2 2 LYS HB3 H 1 1.661 0.008 . . . . . . A 2 LYS HB3 . 30607 1
8 . 1 . 1 2 2 LYS HG2 H 1 1.264 0.003 . . . . . . A 2 LYS HG2 . 30607 1
9 . 1 . 1 2 2 LYS HG3 H 1 1.264 0.003 . . . . . . A 2 LYS HG3 . 30607 1
10 . 1 . 1 2 2 LYS HD2 H 1 1.611 0.000 . . . . . . A 2 LYS HD2 . 30607 1
11 . 1 . 1 2 2 LYS HD3 H 1 1.611 0.000 . . . . . . A 2 LYS HD3 . 30607 1
12 . 1 . 1 3 3 TRP H H 1 8.264 0.002 . . . . . . A 3 TRP H . 30607 1
13 . 1 . 1 3 3 TRP HA H 1 4.707 0.001 . . . . . . A 3 TRP HA . 30607 1
14 . 1 . 1 3 3 TRP HB2 H 1 3.285 0.002 . . . . . . A 3 TRP HB2 . 30607 1
15 . 1 . 1 3 3 TRP HB3 H 1 3.191 0.001 . . . . . . A 3 TRP HB3 . 30607 1
16 . 1 . 1 3 3 TRP HD1 H 1 7.243 0.001 . . . . . . A 3 TRP HD1 . 30607 1
17 . 1 . 1 3 3 TRP HE1 H 1 10.123 0.001 . . . . . . A 3 TRP HE1 . 30607 1
18 . 1 . 1 3 3 TRP HE3 H 1 7.629 0.002 . . . . . . A 3 TRP HE3 . 30607 1
19 . 1 . 1 3 3 TRP HZ2 H 1 7.495 0.000 . . . . . . A 3 TRP HZ2 . 30607 1
20 . 1 . 1 3 3 TRP HZ3 H 1 7.158 0.000 . . . . . . A 3 TRP HZ3 . 30607 1
21 . 1 . 1 3 3 TRP HH2 H 1 7.243 0.002 . . . . . . A 3 TRP HH2 . 30607 1
22 . 1 . 1 4 4 ILE H H 1 8.018 0.002 . . . . . . A 4 ILE H . 30607 1
23 . 1 . 1 4 4 ILE HA H 1 4.107 0.002 . . . . . . A 4 ILE HA . 30607 1
24 . 1 . 1 4 4 ILE HB H 1 1.756 0.002 . . . . . . A 4 ILE HB . 30607 1
25 . 1 . 1 4 4 ILE HG12 H 1 1.397 0.003 . . . . . . A 4 ILE HG12 . 30607 1
26 . 1 . 1 4 4 ILE HG13 H 1 1.106 0.004 . . . . . . A 4 ILE HG13 . 30607 1
27 . 1 . 1 4 4 ILE HD11 H 1 0.818 0.002 . . . . . . A 4 ILE HD11 . 30607 1
28 . 1 . 1 4 4 ILE HD12 H 1 0.818 0.002 . . . . . . A 4 ILE HD12 . 30607 1
29 . 1 . 1 4 4 ILE HD13 H 1 0.818 0.002 . . . . . . A 4 ILE HD13 . 30607 1
30 . 1 . 1 5 5 CYS H H 1 8.257 0.001 . . . . . . A 5 CYS H . 30607 1
31 . 1 . 1 5 5 CYS HA H 1 4.507 0.004 . . . . . . A 5 CYS HA . 30607 1
32 . 1 . 1 5 5 CYS HB2 H 1 3.195 0.004 . . . . . . A 5 CYS HB2 . 30607 1
33 . 1 . 1 5 5 CYS HB3 H 1 2.945 0.002 . . . . . . A 5 CYS HB3 . 30607 1
34 . 1 . 1 6 6 ALA H H 1 8.408 0.001 . . . . . . A 6 ALA H . 30607 1
35 . 1 . 1 6 6 ALA HA H 1 4.229 0.000 . . . . . . A 6 ALA HA . 30607 1
36 . 1 . 1 6 6 ALA HB1 H 1 1.384 0.002 . . . . . . A 6 ALA HB1 . 30607 1
37 . 1 . 1 6 6 ALA HB2 H 1 1.384 0.002 . . . . . . A 6 ALA HB2 . 30607 1
38 . 1 . 1 6 6 ALA HB3 H 1 1.384 0.002 . . . . . . A 6 ALA HB3 . 30607 1
39 . 1 . 1 7 7 ASN H H 1 8.097 0.001 . . . . . . A 7 ASN H . 30607 1
40 . 1 . 1 7 7 ASN HA H 1 4.627 0.001 . . . . . . A 7 ASN HA . 30607 1
41 . 1 . 1 7 7 ASN HB2 H 1 2.949 0.004 . . . . . . A 7 ASN HB2 . 30607 1
42 . 1 . 1 7 7 ASN HB3 H 1 2.817 0.002 . . . . . . A 7 ASN HB3 . 30607 1
43 . 1 . 1 7 7 ASN HD21 H 1 7.671 0.000 . . . . . . A 7 ASN HD21 . 30607 1
44 . 1 . 1 7 7 ASN HD22 H 1 7.012 0.000 . . . . . . A 7 ASN HD22 . 30607 1
45 . 1 . 1 8 8 ARG H H 1 8.429 0.001 . . . . . . A 8 ARG H . 30607 1
46 . 1 . 1 8 8 ARG HA H 1 4.197 0.002 . . . . . . A 8 ARG HA . 30607 1
47 . 1 . 1 8 8 ARG HB2 H 1 1.929 0.002 . . . . . . A 8 ARG HB2 . 30607 1
48 . 1 . 1 8 8 ARG HB3 H 1 1.844 0.004 . . . . . . A 8 ARG HB3 . 30607 1
49 . 1 . 1 8 8 ARG HG2 H 1 1.659 0.011 . . . . . . A 8 ARG HG2 . 30607 1
50 . 1 . 1 8 8 ARG HG3 H 1 1.659 0.011 . . . . . . A 8 ARG HG3 . 30607 1
51 . 1 . 1 8 8 ARG HD2 H 1 3.200 0.004 . . . . . . A 8 ARG HD2 . 30607 1
52 . 1 . 1 8 8 ARG HD3 H 1 3.200 0.004 . . . . . . A 8 ARG HD3 . 30607 1
53 . 1 . 1 8 8 ARG HE H 1 7.180 0.002 . . . . . . A 8 ARG HE . 30607 1
54 . 1 . 1 9 9 SER H H 1 8.240 0.001 . . . . . . A 9 SER H . 30607 1
55 . 1 . 1 9 9 SER HA H 1 4.384 0.001 . . . . . . A 9 SER HA . 30607 1
56 . 1 . 1 9 9 SER HB2 H 1 3.916 0.002 . . . . . . A 9 SER HB2 . 30607 1
57 . 1 . 1 9 9 SER HB3 H 1 3.916 0.002 . . . . . . A 9 SER HB3 . 30607 1
58 . 1 . 1 10 10 VAL H H 1 7.669 0.003 . . . . . . A 10 VAL H . 30607 1
59 . 1 . 1 10 10 VAL HA H 1 4.266 0.001 . . . . . . A 10 VAL HA . 30607 1
60 . 1 . 1 10 10 VAL HB H 1 2.140 0.000 . . . . . . A 10 VAL HB . 30607 1
61 . 1 . 1 10 10 VAL HG11 H 1 0.935 0.001 . . . . . . A 10 VAL HG11 . 30607 1
62 . 1 . 1 10 10 VAL HG12 H 1 0.935 0.001 . . . . . . A 10 VAL HG12 . 30607 1
63 . 1 . 1 10 10 VAL HG13 H 1 0.935 0.001 . . . . . . A 10 VAL HG13 . 30607 1
64 . 1 . 1 10 10 VAL HG21 H 1 0.935 0.001 . . . . . . A 10 VAL HG21 . 30607 1
65 . 1 . 1 10 10 VAL HG22 H 1 0.935 0.001 . . . . . . A 10 VAL HG22 . 30607 1
66 . 1 . 1 10 10 VAL HG23 H 1 0.935 0.001 . . . . . . A 10 VAL HG23 . 30607 1
67 . 1 . 1 11 11 CYS H H 1 8.296 0.001 . . . . . . A 11 CYS H . 30607 1
68 . 1 . 1 11 11 CYS HA H 1 5.050 0.002 . . . . . . A 11 CYS HA . 30607 1
69 . 1 . 1 11 11 CYS HB2 H 1 3.179 0.005 . . . . . . A 11 CYS HB2 . 30607 1
70 . 1 . 1 11 11 CYS HB3 H 1 3.026 0.001 . . . . . . A 11 CYS HB3 . 30607 1
71 . 1 . 1 12 12 PRO HA H 1 4.496 0.004 . . . . . . A 12 PRO HA . 30607 1
72 . 1 . 1 12 12 PRO HB2 H 1 2.253 0.003 . . . . . . A 12 PRO HB2 . 30607 1
73 . 1 . 1 12 12 PRO HB3 H 1 2.253 0.003 . . . . . . A 12 PRO HB3 . 30607 1
74 . 1 . 1 12 12 PRO HG2 H 1 1.942 0.004 . . . . . . A 12 PRO HG2 . 30607 1
75 . 1 . 1 12 12 PRO HG3 H 1 1.942 0.004 . . . . . . A 12 PRO HG3 . 30607 1
76 . 1 . 1 12 12 PRO HD2 H 1 3.663 0.002 . . . . . . A 12 PRO HD2 . 30607 1
77 . 1 . 1 12 12 PRO HD3 H 1 3.663 0.002 . . . . . . A 12 PRO HD3 . 30607 1
78 . 1 . 1 13 13 ILE H H 1 7.926 0.000 . . . . . . A 13 ILE H . 30607 1
79 . 1 . 1 13 13 ILE HA H 1 4.130 0.004 . . . . . . A 13 ILE HA . 30607 1
80 . 1 . 1 13 13 ILE HB H 1 1.837 0.010 . . . . . . A 13 ILE HB . 30607 1
81 . 1 . 1 13 13 ILE HG12 H 1 1.421 0.003 . . . . . . A 13 ILE HG12 . 30607 1
82 . 1 . 1 13 13 ILE HG13 H 1 1.149 0.000 . . . . . . A 13 ILE HG13 . 30607 1
83 . 1 . 1 13 13 ILE HD11 H 1 0.885 0.004 . . . . . . A 13 ILE HD11 . 30607 1
84 . 1 . 1 13 13 ILE HD12 H 1 0.885 0.004 . . . . . . A 13 ILE HD12 . 30607 1
85 . 1 . 1 13 13 ILE HD13 H 1 0.885 0.004 . . . . . . A 13 ILE HD13 . 30607 1
stop_
save_