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 30895
_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 TOCSY' . . . 30895 1
2 '2D 1H-1H ROESY' . . . 30895 1
3 '2D 1H-13C HSQC' . . . 30895 1
4 '2D 1H-15N HSQC' . . . 30895 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 ACE H1 H 1 3.580 0.000 . 1 . . . . A 1 ACE H1 . 30895 1
2 . 1 . 1 1 1 ACE H2 H 1 3.580 0.000 . 1 . . . . A 1 ACE H2 . 30895 1
3 . 1 . 1 1 1 ACE H3 H 1 3.580 0.000 . 1 . . . . A 1 ACE H3 . 30895 1
4 . 1 . 1 1 1 ACE CH3 C 13 69.680 0.000 . 1 . . . . A 1 ACE CH3 . 30895 1
5 . 1 . 1 2 2 VAL HA H 1 4.052 0.004 . 1 . . . . A 2 VAL HA . 30895 1
6 . 1 . 1 2 2 VAL HB H 1 1.986 0.006 . 1 . . . . A 2 VAL HB . 30895 1
7 . 1 . 1 2 2 VAL HG21 H 1 0.864 0.002 . 0 . . . . A 2 VAL HG21 . 30895 1
8 . 1 . 1 2 2 VAL HG22 H 1 0.864 0.002 . 0 . . . . A 2 VAL HG22 . 30895 1
9 . 1 . 1 2 2 VAL HG23 H 1 0.864 0.002 . 0 . . . . A 2 VAL HG23 . 30895 1
10 . 1 . 1 2 2 VAL CA C 13 59.353 0.000 . 1 . . . . A 2 VAL CA . 30895 1
11 . 1 . 1 2 2 VAL CB C 13 30.284 0.000 . 1 . . . . A 2 VAL CB . 30895 1
12 . 1 . 1 2 2 VAL CG1 C 13 18.436 0.000 . 2 . . . . A 2 VAL CG1 . 30895 1
13 . 1 . 1 2 2 VAL CG2 C 13 17.570 0.000 . 2 . . . . A 2 VAL CG2 . 30895 1
14 . 1 . 1 2 2 VAL N N 15 122.936 0.000 . 1 . . . . A 2 VAL N . 30895 1
15 . 1 . 1 3 3 CYS H H 1 8.151 0.001 . 1 . . . . A 3 CYS H . 30895 1
16 . 1 . 1 3 3 CYS HA H 1 4.540 0.001 . 1 . . . . A 3 CYS HA . 30895 1
17 . 1 . 1 3 3 CYS HB2 H 1 3.085 0.007 . 2 . . . . A 3 CYS HB2 . 30895 1
18 . 1 . 1 3 3 CYS HB3 H 1 3.046 0.005 . 2 . . . . A 3 CYS HB3 . 30895 1
19 . 1 . 1 3 3 CYS CA C 13 54.003 0.000 . 1 . . . . A 3 CYS CA . 30895 1
20 . 1 . 1 3 3 CYS CB C 13 40.569 0.007 . 1 . . . . A 3 CYS CB . 30895 1
21 . 1 . 1 3 3 CYS N N 15 121.549 0.000 . 1 . . . . A 3 CYS N . 30895 1
22 . 1 . 1 4 4 SER H H 1 8.183 0.002 . 1 . . . . A 4 SER H . 30895 1
23 . 1 . 1 4 4 SER HA H 1 4.410 0.001 . 1 . . . . A 4 SER HA . 30895 1
24 . 1 . 1 4 4 SER HB2 H 1 3.909 0.005 . 2 . . . . A 4 SER HB2 . 30895 1
25 . 1 . 1 4 4 SER HB3 H 1 3.777 0.001 . 2 . . . . A 4 SER HB3 . 30895 1
26 . 1 . 1 4 4 SER CA C 13 55.735 0.000 . 1 . . . . A 4 SER CA . 30895 1
27 . 1 . 1 4 4 SER CB C 13 61.302 0.003 . 1 . . . . A 4 SER CB . 30895 1
28 . 1 . 1 4 4 SER N N 15 118.572 0.000 . 1 . . . . A 4 SER N . 30895 1
29 . 1 . 1 5 5 GLU H H 1 8.246 0.008 . 1 . . . . A 5 GLU H . 30895 1
30 . 1 . 1 5 5 GLU HA H 1 4.074 0.003 . 1 . . . . A 5 GLU HA . 30895 1
31 . 1 . 1 5 5 GLU HB2 H 1 2.013 0.004 . 2 . . . . A 5 GLU HB2 . 30895 1
32 . 1 . 1 5 5 GLU HB3 H 1 1.933 0.006 . 2 . . . . A 5 GLU HB3 . 30895 1
33 . 1 . 1 5 5 GLU HG2 H 1 2.273 0.002 . 2 . . . . A 5 GLU HG2 . 30895 1
34 . 1 . 1 5 5 GLU HG3 H 1 2.273 0.002 . 2 . . . . A 5 GLU HG3 . 30895 1
35 . 1 . 1 5 5 GLU CA C 13 55.058 0.000 . 1 . . . . A 5 GLU CA . 30895 1
36 . 1 . 1 5 5 GLU CB C 13 26.546 0.005 . 1 . . . . A 5 GLU CB . 30895 1
37 . 1 . 1 5 5 GLU CG C 13 31.413 0.000 . 1 . . . . A 5 GLU CG . 30895 1
38 . 1 . 1 5 5 GLU N N 15 119.912 0.000 . 1 . . . . A 5 GLU N . 30895 1
39 . 1 . 1 6 6 LEU H H 1 7.932 0.001 . 1 . . . . A 6 LEU H . 30895 1
40 . 1 . 1 6 6 LEU HA H 1 4.037 0.004 . 1 . . . . A 6 LEU HA . 30895 1
41 . 1 . 1 6 6 LEU HB2 H 1 1.575 0.002 . 2 . . . . A 6 LEU HB2 . 30895 1
42 . 1 . 1 6 6 LEU HB3 H 1 1.459 0.003 . 2 . . . . A 6 LEU HB3 . 30895 1
43 . 1 . 1 6 6 LEU HG H 1 1.511 0.006 . 1 . . . . A 6 LEU HG . 30895 1
44 . 1 . 1 6 6 LEU HD11 H 1 0.826 0.007 . 0 . . . . A 6 LEU HD11 . 30895 1
45 . 1 . 1 6 6 LEU HD12 H 1 0.826 0.007 . 0 . . . . A 6 LEU HD12 . 30895 1
46 . 1 . 1 6 6 LEU HD13 H 1 0.826 0.007 . 0 . . . . A 6 LEU HD13 . 30895 1
47 . 1 . 1 6 6 LEU HD21 H 1 0.817 0.008 . 0 . . . . A 6 LEU HD21 . 30895 1
48 . 1 . 1 6 6 LEU HD22 H 1 0.817 0.008 . 0 . . . . A 6 LEU HD22 . 30895 1
49 . 1 . 1 6 6 LEU HD23 H 1 0.817 0.008 . 0 . . . . A 6 LEU HD23 . 30895 1
50 . 1 . 1 6 6 LEU CA C 13 53.020 0.000 . 1 . . . . A 6 LEU CA . 30895 1
51 . 1 . 1 6 6 LEU CB C 13 38.689 0.001 . 1 . . . . A 6 LEU CB . 30895 1
52 . 1 . 1 6 6 LEU CG C 13 24.466 0.000 . 1 . . . . A 6 LEU CG . 30895 1
53 . 1 . 1 6 6 LEU CD1 C 13 22.362 0.000 . 2 . . . . A 6 LEU CD1 . 30895 1
54 . 1 . 1 6 6 LEU CD2 C 13 20.667 0.000 . 2 . . . . A 6 LEU CD2 . 30895 1
55 . 1 . 1 6 6 LEU N N 15 117.665 0.000 . 1 . . . . A 6 LEU N . 30895 1
56 . 1 . 1 7 7 CYS H H 1 7.684 0.002 . 1 . . . . A 7 CYS H . 30895 1
57 . 1 . 1 7 7 CYS HA H 1 4.372 0.005 . 1 . . . . A 7 CYS HA . 30895 1
58 . 1 . 1 7 7 CYS HB2 H 1 2.946 0.004 . 2 . . . . A 7 CYS HB2 . 30895 1
59 . 1 . 1 7 7 CYS HB3 H 1 2.820 0.003 . 2 . . . . A 7 CYS HB3 . 30895 1
60 . 1 . 1 7 7 CYS CA C 13 53.782 0.000 . 1 . . . . A 7 CYS CA . 30895 1
61 . 1 . 1 7 7 CYS CB C 13 39.525 0.003 . 1 . . . . A 7 CYS CB . 30895 1
62 . 1 . 1 7 7 CYS N N 15 116.425 0.000 . 1 . . . . A 7 CYS N . 30895 1
63 . 1 . 1 8 8 TRP H H 1 7.584 0.002 . 1 . . . . A 8 TRP H . 30895 1
64 . 1 . 1 8 8 TRP HA H 1 4.546 0.002 . 1 . . . . A 8 TRP HA . 30895 1
65 . 1 . 1 8 8 TRP HB2 H 1 3.258 0.004 . 2 . . . . A 8 TRP HB2 . 30895 1
66 . 1 . 1 8 8 TRP HB3 H 1 3.103 0.004 . 2 . . . . A 8 TRP HB3 . 30895 1
67 . 1 . 1 8 8 TRP HD1 H 1 7.123 0.001 . 1 . . . . A 8 TRP HD1 . 30895 1
68 . 1 . 1 8 8 TRP HE1 H 1 9.906 0.001 . 1 . . . . A 8 TRP HE1 . 30895 1
69 . 1 . 1 8 8 TRP HE3 H 1 7.114 0.000 . 1 . . . . A 8 TRP HE3 . 30895 1
70 . 1 . 1 8 8 TRP HZ2 H 1 7.374 0.000 . 1 . . . . A 8 TRP HZ2 . 30895 1
71 . 1 . 1 8 8 TRP HZ3 H 1 7.035 0.000 . 1 . . . . A 8 TRP HZ3 . 30895 1
72 . 1 . 1 8 8 TRP HH2 H 1 7.559 0.000 . 1 . . . . A 8 TRP HH2 . 30895 1
73 . 1 . 1 8 8 TRP CB C 13 27.127 0.004 . 1 . . . . A 8 TRP CB . 30895 1
74 . 1 . 1 8 8 TRP N N 15 119.785 0.000 . 1 . . . . A 8 TRP N . 30895 1
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