Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18643
_Assigned_chem_shift_list.ID 1
_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 $chemical_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' . . . 18643 1
6 '2D 1H-13C HSQC' . . . 18643 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 GLY HA2 H 1 3.850 0.000 . . . . . A 1 GLY HA2 . 18643 1
2 . 1 1 1 1 GLY HA3 H 1 3.586 0.000 . . . . . A 1 GLY HA3 . 18643 1
3 . 1 1 1 1 GLY H H 1 8.201 0.000 . . . . . A 1 GLY H1 . 18643 1
4 . 1 1 1 1 GLY CA C 13 45.566 0.013 . . . . . A 1 GLY CA . 18643 1
5 . 1 1 2 2 SER H H 1 7.907 0.000 . . . . . A 2 SER H . 18643 1
6 . 1 1 2 2 SER HA H 1 4.104 0.000 . . . . . A 2 SER HA . 18643 1
7 . 1 1 2 2 SER HB2 H 1 3.597 0.000 . . . . . A 2 SER HB2 . 18643 1
8 . 1 1 2 2 SER HB3 H 1 3.534 0.000 . . . . . A 2 SER HB3 . 18643 1
9 . 1 1 2 2 SER CA C 13 58.862 0.000 . . . . . A 2 SER CA . 18643 1
10 . 1 1 2 2 SER CB C 13 63.755 0.001 . . . . . A 2 SER CB . 18643 1
11 . 1 1 3 3 CYS H H 1 7.682 0.000 . . . . . A 3 CYS H . 18643 1
12 . 1 1 3 3 CYS HA H 1 4.490 0.000 . . . . . A 3 CYS HA . 18643 1
13 . 1 1 3 3 CYS HB2 H 1 2.870 0.000 . . . . . A 3 CYS HB2 . 18643 1
14 . 1 1 3 3 CYS HB3 H 1 2.741 0.000 . . . . . A 3 CYS HB3 . 18643 1
15 . 1 1 3 3 CYS CA C 13 57.531 0.000 . . . . . A 3 CYS CA . 18643 1
16 . 1 1 4 4 PHE H H 1 8.408 0.000 . . . . . A 4 PHE H . 18643 1
17 . 1 1 4 4 PHE HA H 1 4.462 0.000 . . . . . A 4 PHE HA . 18643 1
18 . 1 1 4 4 PHE HB2 H 1 2.846 0.000 . . . . . A 4 PHE HB2 . 18643 1
19 . 1 1 4 4 PHE HB3 H 1 2.719 0.000 . . . . . A 4 PHE HB3 . 18643 1
20 . 1 1 4 4 PHE HD1 H 1 6.931 0.000 . . . . . A 4 PHE HD1 . 18643 1
21 . 1 1 4 4 PHE HD2 H 1 6.931 0.000 . . . . . A 4 PHE HD2 . 18643 1
22 . 1 1 4 4 PHE CA C 13 53.147 0.000 . . . . . A 4 PHE CA . 18643 1
23 . 1 1 4 4 PHE CB C 13 41.218 0.007 . . . . . A 4 PHE CB . 18643 1
24 . 1 1 5 5 GLY H H 1 8.116 0.000 . . . . . A 5 GLY H . 18643 1
25 . 1 1 5 5 GLY HA2 H 1 3.901 0.000 . . . . . A 5 GLY HA2 . 18643 1
26 . 1 1 5 5 GLY HA3 H 1 3.413 0.000 . . . . . A 5 GLY HA3 . 18643 1
27 . 1 1 5 5 GLY CA C 13 44.623 0.011 . . . . . A 5 GLY CA . 18643 1
28 . 1 1 6 6 ALA H H 1 8.151 0.000 . . . . . A 6 ALA H . 18643 1
29 . 1 1 6 6 ALA HA H 1 3.658 0.000 . . . . . A 6 ALA HA . 18643 1
30 . 1 1 6 6 ALA HB1 H 1 0.764 0.000 . . . . . A 6 ALA HB1 . 18643 1
31 . 1 1 6 6 ALA HB2 H 1 0.764 0.000 . . . . . A 6 ALA HB2 . 18643 1
32 . 1 1 6 6 ALA HB3 H 1 0.764 0.000 . . . . . A 6 ALA HB3 . 18643 1
33 . 1 1 6 6 ALA CA C 13 53.685 0.000 . . . . . A 6 ALA CA . 18643 1
34 . 1 1 6 6 ALA CB C 13 18.863 0.000 . . . . . A 6 ALA CB . 18643 1
35 . 1 1 7 7 PHE H H 1 7.994 0.000 . . . . . A 7 PHE H . 18643 1
36 . 1 1 7 7 PHE HA H 1 4.221 0.000 . . . . . A 7 PHE HA . 18643 1
37 . 1 1 7 7 PHE HB2 H 1 3.004 0.000 . . . . . A 7 PHE HB2 . 18643 1
38 . 1 1 7 7 PHE HB3 H 1 2.625 0.000 . . . . . A 7 PHE HB3 . 18643 1
39 . 1 1 7 7 PHE HD1 H 1 6.960 0.010 . . . . . A 7 PHE HD1 . 18643 1
40 . 1 1 7 7 PHE HD2 H 1 6.960 0.010 . . . . . A 7 PHE HD2 . 18643 1
41 . 1 1 7 7 PHE CA C 13 56.923 0.000 . . . . . A 7 PHE CA . 18643 1
42 . 1 1 7 7 PHE CB C 13 38.183 0.007 . . . . . A 7 PHE CB . 18643 1
43 . 1 1 8 8 CYS H H 1 7.168 0.000 . . . . . A 8 CYS H . 18643 1
44 . 1 1 8 8 CYS HA H 1 4.345 0.000 . . . . . A 8 CYS HA . 18643 1
45 . 1 1 8 8 CYS HB2 H 1 2.704 0.000 . . . . . A 8 CYS HB2 . 18643 1
46 . 1 1 8 8 CYS HB3 H 1 2.444 0.000 . . . . . A 8 CYS HB3 . 18643 1
47 . 1 1 8 8 CYS CA C 13 57.742 0.000 . . . . . A 8 CYS CA . 18643 1
48 . 1 1 8 8 CYS CB C 13 39.975 0.008 . . . . . A 8 CYS CB . 18643 1
49 . 1 1 9 9 PHE H H 1 8.433 0.000 . . . . . A 9 PHE H . 18643 1
50 . 1 1 9 9 PHE HA H 1 4.360 0.000 . . . . . A 9 PHE HA . 18643 1
51 . 1 1 9 9 PHE HB2 H 1 2.933 0.000 . . . . . A 9 PHE HB2 . 18643 1
52 . 1 1 9 9 PHE HB3 H 1 2.720 0.000 . . . . . A 9 PHE HB3 . 18643 1
53 . 1 1 9 9 PHE HD1 H 1 6.977 0.000 . . . . . A 9 PHE HD1 . 18643 1
54 . 1 1 9 9 PHE HD2 H 1 6.977 0.000 . . . . . A 9 PHE HD2 . 18643 1
55 . 1 1 9 9 PHE CA C 13 54.798 0.000 . . . . . A 9 PHE CA . 18643 1
56 . 1 1 9 9 PHE CB C 13 39.224 0.007 . . . . . A 9 PHE CB . 18643 1
57 . 1 1 10 10 ARG H H 1 7.583 0.000 . . . . . A 10 ARG H . 18643 1
58 . 1 1 10 10 ARG HA H 1 4.019 0.000 . . . . . A 10 ARG HA . 18643 1
59 . 1 1 10 10 ARG HB2 H 1 1.527 0.000 . . . . . A 10 ARG HB2 . 18643 1
60 . 1 1 10 10 ARG HB3 H 1 1.401 0.000 . . . . . A 10 ARG HB3 . 18643 1
61 . 1 1 10 10 ARG HG2 H 1 1.221 0.000 . . . . . A 10 ARG HG2 . 18643 1
62 . 1 1 10 10 ARG HD2 H 1 2.863 0.000 . . . . . A 10 ARG QD . 18643 1
63 . 1 1 10 10 ARG HD3 H 1 2.863 0.000 . . . . . A 10 ARG HD3 . 18643 1
64 . 1 1 10 10 ARG CA C 13 55.992 0.000 . . . . . A 10 ARG CA . 18643 1
65 . 1 1 10 10 ARG CB C 13 31.746 0.009 . . . . . A 10 ARG CB . 18643 1
66 . 1 1 11 11 ARG H H 1 8.279 0.000 . . . . . A 11 ARG H . 18643 1
67 . 1 1 11 11 ARG HA H 1 4.168 0.000 . . . . . A 11 ARG HA . 18643 1
68 . 1 1 11 11 ARG HB2 H 1 1.655 0.000 . . . . . A 11 ARG HB2 . 18643 1
69 . 1 1 11 11 ARG HB3 H 1 1.415 0.000 . . . . . A 11 ARG HB3 . 18643 1
70 . 1 1 11 11 ARG HG2 H 1 1.330 0.000 . . . . . A 11 ARG HG2 . 18643 1
71 . 1 1 11 11 ARG HG3 H 1 1.255 0.000 . . . . . A 11 ARG HG3 . 18643 1
72 . 1 1 11 11 ARG HD2 H 1 2.886 0.000 . . . . . A 11 ARG QD . 18643 1
73 . 1 1 11 11 ARG HD3 H 1 2.886 0.000 . . . . . A 11 ARG HD3 . 18643 1
74 . 1 1 11 11 ARG CA C 13 55.909 0.000 . . . . . A 11 ARG CA . 18643 1
75 . 1 1 11 11 ARG CB C 13 29.832 0.013 . . . . . A 11 ARG CB . 18643 1
76 . 1 1 12 12 ASP H H 1 7.881 0.000 . . . . . A 12 ASP H . 18643 1
77 . 1 1 12 12 ASP HA H 1 4.417 0.000 . . . . . A 12 ASP HA . 18643 1
78 . 1 1 12 12 ASP HB2 H 1 2.743 0.000 . . . . . A 12 ASP HB2 . 18643 1
79 . 1 1 12 12 ASP HB3 H 1 2.548 0.000 . . . . . A 12 ASP HB3 . 18643 1
80 . 1 1 12 12 ASP CA C 13 58.117 0.000 . . . . . A 12 ASP CA . 18643 1
81 . 1 1 12 12 ASP CB C 13 39.722 0.000 . . . . . A 12 ASP CB . 18643 1
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