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 36724
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_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 NOESY' 1 $sample_1 isotropic 36724 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36724 1
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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_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 VAL HA H 1 3.777 0.0000 . 1 . . . . A 1 VAL HA . 36724 1
2 . 1 . 1 1 1 VAL HB H 1 2.174 0.0020 . 1 . . . . A 1 VAL HB . 36724 1
3 . 1 . 1 1 1 VAL HG11 H 1 0.9877 0.0029 . 2 . . . . A 1 VAL HG11 . 36724 1
4 . 1 . 1 1 1 VAL HG12 H 1 0.9877 0.0029 . 2 . . . . A 1 VAL HG12 . 36724 1
5 . 1 . 1 1 1 VAL HG13 H 1 0.9877 0.0029 . 2 . . . . A 1 VAL HG13 . 36724 1
6 . 1 . 1 1 1 VAL HG21 H 1 0.9877 0.0029 . 2 . . . . A 1 VAL HG21 . 36724 1
7 . 1 . 1 1 1 VAL HG22 H 1 0.9877 0.0029 . 2 . . . . A 1 VAL HG22 . 36724 1
8 . 1 . 1 1 1 VAL HG23 H 1 0.9877 0.0029 . 2 . . . . A 1 VAL HG23 . 36724 1
9 . 1 . 1 2 2 ALA H H 1 8.627 0.0060 . 1 . . . . A 2 ALA H . 36724 1
10 . 1 . 1 2 2 ALA HA H 1 4.395 0.0010 . 1 . . . . A 2 ALA HA . 36724 1
11 . 1 . 1 2 2 ALA HB1 H 1 1.390 0.0087 . 1 . . . . A 2 ALA HB1 . 36724 1
12 . 1 . 1 2 2 ALA HB2 H 1 1.390 0.0087 . 1 . . . . A 2 ALA HB2 . 36724 1
13 . 1 . 1 2 2 ALA HB3 H 1 1.390 0.0087 . 1 . . . . A 2 ALA HB3 . 36724 1
14 . 1 . 1 3 3 ARG H H 1 8.456 0.0010 . 1 . . . . A 3 ARG H . 36724 1
15 . 1 . 1 3 3 ARG HA H 1 4.259 0.0022 . 1 . . . . A 3 ARG HA . 36724 1
16 . 1 . 1 3 3 ARG HB2 H 1 1.732 0.0090 . 2 . . . . A 3 ARG HB2 . 36724 1
17 . 1 . 1 3 3 ARG HB3 H 1 1.732 0.0090 . 2 . . . . A 3 ARG HB3 . 36724 1
18 . 1 . 1 3 3 ARG HD2 H 1 3.153 0.0060 . 2 . . . . A 3 ARG HD2 . 36724 1
19 . 1 . 1 3 3 ARG HD3 H 1 3.153 0.0060 . 2 . . . . A 3 ARG HD3 . 36724 1
20 . 1 . 1 3 3 ARG HG2 H 1 1.598 0.0033 . 2 . . . . A 3 ARG HG2 . 36724 1
21 . 1 . 1 3 3 ARG HG3 H 1 1.598 0.0033 . 2 . . . . A 3 ARG HG3 . 36724 1
22 . 1 . 1 4 4 GLY H H 1 8.410 0.0010 . 1 . . . . A 4 GLY H . 36724 1
23 . 1 . 1 4 4 GLY HA2 H 1 3.903 0.0027 . 2 . . . . A 4 GLY HA2 . 36724 1
24 . 1 . 1 4 4 GLY HA3 H 1 3.903 0.0027 . 2 . . . . A 4 GLY HA3 . 36724 1
25 . 1 . 1 5 5 TRP H H 1 8.044 0.0039 . 1 . . . . A 5 TRP H . 36724 1
26 . 1 . 1 5 5 TRP HA H 1 4.650 0.0051 . 1 . . . . A 5 TRP HA . 36724 1
27 . 1 . 1 5 5 TRP HB2 H 1 3.343 0.0057 . 1 . . . . A 5 TRP HB2 . 36724 1
28 . 1 . 1 5 5 TRP HB3 H 1 3.255 0.0054 . 1 . . . . A 5 TRP HB3 . 36724 1
29 . 1 . 1 5 5 TRP HE1 H 1 10.14 0.0005 . 1 . . . . A 5 TRP HE1 . 36724 1
30 . 1 . 1 5 5 TRP HH2 H 1 7.259 0.0028 . 1 . . . . A 5 TRP HH2 . 36724 1
31 . 1 . 1 6 6 GLY H H 1 8.307 0.0021 . 1 . . . . A 6 GLY H . 36724 1
32 . 1 . 1 6 6 GLY HA2 H 1 3.892 0.0060 . 2 . . . . A 6 GLY HA2 . 36724 1
33 . 1 . 1 6 6 GLY HA3 H 1 3.892 0.0060 . 2 . . . . A 6 GLY HA3 . 36724 1
34 . 1 . 1 7 7 ARG H H 1 8.159 0.0008 . 1 . . . . A 7 ARG H . 36724 1
35 . 1 . 1 7 7 ARG HA H 1 4.326 0.0000 . 1 . . . . A 7 ARG HA . 36724 1
36 . 1 . 1 7 7 ARG HG2 H 1 1.757 0.0045 . 1 . . . . A 7 ARG HG2 . 36724 1
37 . 1 . 1 7 7 ARG HG3 H 1 1.673 0.0020 . 1 . . . . A 7 ARG HG3 . 36724 1
38 . 1 . 1 8 8 LYS H H 1 8.158 0.0019 . 1 . . . . A 8 LYS H . 36724 1
39 . 1 . 1 8 8 LYS HA H 1 4.314 0.0040 . 1 . . . . A 8 LYS HA . 36724 1
40 . 1 . 1 8 8 LYS HB2 H 1 1.835 0.0080 . 2 . . . . A 8 LYS HB2 . 36724 1
41 . 1 . 1 8 8 LYS HB3 H 1 1.835 0.0080 . 2 . . . . A 8 LYS HB3 . 36724 1
42 . 1 . 1 8 8 LYS HG2 H 1 1.414 0.0093 . 2 . . . . A 8 LYS HG2 . 36724 1
43 . 1 . 1 8 8 LYS HG3 H 1 1.414 0.0093 . 2 . . . . A 8 LYS HG3 . 36724 1
44 . 1 . 1 9 9 CYS H H 1 8.305 0.0007 . 1 . . . . A 9 CYS H . 36724 1
45 . 1 . 1 9 9 CYS HA H 1 4.736 0.0025 . 1 . . . . A 9 CYS HA . 36724 1
46 . 1 . 1 9 9 CYS HB2 H 1 2.883 0.0026 . 2 . . . . A 9 CYS HB2 . 36724 1
47 . 1 . 1 9 9 CYS HB3 H 1 2.883 0.0026 . 2 . . . . A 9 CYS HB3 . 36724 1
48 . 1 . 1 10 10 PRO HA H 1 4.364 0.0000 . 1 . . . . A 10 PRO HA . 36724 1
49 . 1 . 1 10 10 PRO HD2 H 1 3.731 0.0052 . 2 . . . . A 10 PRO HD2 . 36724 1
50 . 1 . 1 10 10 PRO HD3 H 1 3.731 0.0052 . 2 . . . . A 10 PRO HD3 . 36724 1
51 . 1 . 1 10 10 PRO HG2 H 1 1.964 0.0052 . 2 . . . . A 10 PRO HG2 . 36724 1
52 . 1 . 1 10 10 PRO HG3 H 1 1.964 0.0052 . 2 . . . . A 10 PRO HG3 . 36724 1
53 . 1 . 1 11 11 LEU H H 1 8.125 0.0020 . 1 . . . . A 11 LEU H . 36724 1
54 . 1 . 1 11 11 LEU HA H 1 4.236 0.0005 . 1 . . . . A 11 LEU HA . 36724 1
55 . 1 . 1 11 11 LEU HB2 H 1 1.520 0.0000 . 2 . . . . A 11 LEU HB2 . 36724 1
56 . 1 . 1 11 11 LEU HB3 H 1 1.520 0.0000 . 2 . . . . A 11 LEU HB3 . 36724 1
57 . 1 . 1 11 11 LEU HD11 H 1 0.8509 0.0245 . 2 . . . . A 11 LEU HD11 . 36724 1
58 . 1 . 1 11 11 LEU HD12 H 1 0.8509 0.0245 . 2 . . . . A 11 LEU HD12 . 36724 1
59 . 1 . 1 11 11 LEU HD13 H 1 0.8509 0.0245 . 2 . . . . A 11 LEU HD13 . 36724 1
60 . 1 . 1 11 11 LEU HD21 H 1 0.8509 0.0245 . 2 . . . . A 11 LEU HD21 . 36724 1
61 . 1 . 1 11 11 LEU HD22 H 1 0.8509 0.0245 . 2 . . . . A 11 LEU HD22 . 36724 1
62 . 1 . 1 11 11 LEU HD23 H 1 0.8509 0.0245 . 2 . . . . A 11 LEU HD23 . 36724 1
63 . 1 . 1 12 12 PHE HA H 1 4.236 0.0005 . 1 . . . . A 12 PHE HA . 36724 1
64 . 1 . 1 12 12 PHE HB2 H 1 3.041 0.0094 . 1 . . . . A 12 PHE HB2 . 36724 1
65 . 1 . 1 12 12 PHE HB3 H 1 3.174 0.0065 . 1 . . . . A 12 PHE HB3 . 36724 1
66 . 1 . 1 13 13 GLY H H 1 8.306 0.0007 . 1 . . . . A 13 GLY H . 36724 1
67 . 1 . 1 13 13 GLY HA2 H 1 3.897 0.0015 . 2 . . . . A 13 GLY HA2 . 36724 1
68 . 1 . 1 13 13 GLY HA3 H 1 3.897 0.0015 . 2 . . . . A 13 GLY HA3 . 36724 1
69 . 1 . 1 14 14 LYS H H 1 8.155 0.0039 . 1 . . . . A 14 LYS H . 36724 1
70 . 1 . 1 14 14 LYS HA H 1 4.306 0.0005 . 1 . . . . A 14 LYS HA . 36724 1
71 . 1 . 1 15 15 ASN H H 1 8.465 0.0004 . 1 . . . . A 15 ASN H . 36724 1
72 . 1 . 1 15 15 ASN HA H 1 4.684 0.0005 . 1 . . . . A 15 ASN HA . 36724 1
73 . 1 . 1 15 15 ASN HB2 H 1 2.849 0.0010 . 1 . . . . A 15 ASN HB2 . 36724 1
74 . 1 . 1 15 15 ASN HB3 H 1 2.776 0.0010 . 1 . . . . A 15 ASN HB3 . 36724 1
75 . 1 . 1 16 16 LYS H H 1 8.250 0.0004 . 1 . . . . A 16 LYS H . 36724 1
76 . 1 . 1 16 16 LYS HA H 1 4.351 0.0005 . 1 . . . . A 16 LYS HA . 36724 1
77 . 1 . 1 16 16 LYS HB2 H 1 1.869 0.0015 . 2 . . . . A 16 LYS HB2 . 36724 1
78 . 1 . 1 16 16 LYS HB3 H 1 1.760 0.0015 . 2 . . . . A 16 LYS HB3 . 36724 1
79 . 1 . 1 16 16 LYS HD2 H 1 1.425 0.0010 . 2 . . . . A 16 LYS HD2 . 36724 1
80 . 1 . 1 16 16 LYS HD3 H 1 1.425 0.0010 . 2 . . . . A 16 LYS HD3 . 36724 1
81 . 1 . 1 17 17 SER H H 1 8.356 0.0015 . 1 . . . . A 17 SER H . 36724 1
82 . 1 . 1 17 17 SER HA H 1 3.883 0.0000 . 1 . . . . A 17 SER HA . 36724 1
83 . 1 . 1 17 17 SER HB2 H 1 4.437 0.0005 . 2 . . . . A 17 SER HB2 . 36724 1
84 . 1 . 1 17 17 SER HB3 H 1 4.437 0.0005 . 2 . . . . A 17 SER HB3 . 36724 1
85 . 1 . 1 18 18 ARG H H 1 7.966 0.0005 . 1 . . . . A 18 ARG H . 36724 1
86 . 1 . 1 18 18 ARG HA H 1 4.177 0.0000 . 1 . . . . A 18 ARG HA . 36724 1
87 . 1 . 1 18 18 ARG HB2 H 1 1.850 0.0000 . 2 . . . . A 18 ARG HB2 . 36724 1
88 . 1 . 1 18 18 ARG HB3 H 1 1.725 0.0000 . 2 . . . . A 18 ARG HB3 . 36724 1
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