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 51593
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name P2-6
_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' . . . 51593 1
2 '2D 1H-1H NOESY' . . . 51593 1
3 '2D 1H-13C HSQC' . . . 51593 1
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loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 51593 1
2 $software_2 . . 51593 1
3 $software_3 . . 51593 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 6 6 SER H H 1 8.538 0.000 . 1 . . . . . 6 SER H . 51593 1
2 . 1 . 1 6 6 SER HA H 1 4.398 0.001 . 1 . . . . . 6 SER HA . 51593 1
3 . 1 . 1 6 6 SER HB2 H 1 3.883 0.000 . 2 . . . . . 6 SER HB2 . 51593 1
4 . 1 . 1 6 6 SER HB3 H 1 3.915 0.001 . 2 . . . . . 6 SER HB3 . 51593 1
5 . 1 . 1 6 6 SER CA C 13 58.792 0.000 . 1 . . . . . 6 SER CA . 51593 1
6 . 1 . 1 6 6 SER CB C 13 63.492 0.002 . 1 . . . . . 6 SER CB . 51593 1
7 . 1 . 1 7 7 LEU H H 1 8.421 0.000 . 1 . . . . . 7 LEU H . 51593 1
8 . 1 . 1 7 7 LEU HA H 1 4.318 0.001 . 1 . . . . . 7 LEU HA . 51593 1
9 . 1 . 1 7 7 LEU HB2 H 1 1.635 0.002 . 1 . . . . . 7 LEU HB2 . 51593 1
10 . 1 . 1 7 7 LEU HG H 1 1.633 0.000 . 1 . . . . . 7 LEU HG . 51593 1
11 . 1 . 1 7 7 LEU HD11 H 1 0.882 0.000 . 2 . . . . . 7 LEU HD11 . 51593 1
12 . 1 . 1 7 7 LEU HD12 H 1 0.882 0.000 . 2 . . . . . 7 LEU HD12 . 51593 1
13 . 1 . 1 7 7 LEU HD13 H 1 0.882 0.000 . 2 . . . . . 7 LEU HD13 . 51593 1
14 . 1 . 1 7 7 LEU HD21 H 1 0.941 0.001 . 2 . . . . . 7 LEU HD21 . 51593 1
15 . 1 . 1 7 7 LEU HD22 H 1 0.941 0.001 . 2 . . . . . 7 LEU HD22 . 51593 1
16 . 1 . 1 7 7 LEU HD23 H 1 0.941 0.001 . 2 . . . . . 7 LEU HD23 . 51593 1
17 . 1 . 1 7 7 LEU CA C 13 55.898 0.000 . 1 . . . . . 7 LEU CA . 51593 1
18 . 1 . 1 7 7 LEU CB C 13 42.080 0.000 . 1 . . . . . 7 LEU CB . 51593 1
19 . 1 . 1 7 7 LEU CG C 13 26.978 0.000 . 1 . . . . . 7 LEU CG . 51593 1
20 . 1 . 1 7 7 LEU CD1 C 13 23.642 0.000 . 2 . . . . . 7 LEU CD1 . 51593 1
21 . 1 . 1 7 7 LEU CD2 C 13 24.693 0.000 . 2 . . . . . 7 LEU CD2 . 51593 1
22 . 1 . 1 8 8 ALA H H 1 8.292 0.000 . 1 . . . . . 8 ALA H . 51593 1
23 . 1 . 1 8 8 ALA HA H 1 4.241 0.000 . 1 . . . . . 8 ALA HA . 51593 1
24 . 1 . 1 8 8 ALA HB1 H 1 1.389 0.002 . 1 . . . . . 8 ALA HB1 . 51593 1
25 . 1 . 1 8 8 ALA HB2 H 1 1.389 0.002 . 1 . . . . . 8 ALA HB2 . 51593 1
26 . 1 . 1 8 8 ALA HB3 H 1 1.389 0.002 . 1 . . . . . 8 ALA HB3 . 51593 1
27 . 1 . 1 8 8 ALA CB C 13 18.702 0.000 . 1 . . . . . 8 ALA CB . 51593 1
28 . 1 . 1 9 9 LEU H H 1 8.195 0.002 . 1 . . . . . 9 LEU H . 51593 1
29 . 1 . 1 9 9 LEU HA H 1 4.272 0.000 . 1 . . . . . 9 LEU HA . 51593 1
30 . 1 . 1 9 9 LEU HB2 H 1 1.639 0.004 . 1 . . . . . 9 LEU HB2 . 51593 1
31 . 1 . 1 9 9 LEU HG H 1 1.643 0.000 . 1 . . . . . 9 LEU HG . 51593 1
32 . 1 . 1 9 9 LEU HD11 H 1 0.888 0.002 . 2 . . . . . 9 LEU HD11 . 51593 1
33 . 1 . 1 9 9 LEU HD12 H 1 0.888 0.002 . 2 . . . . . 9 LEU HD12 . 51593 1
34 . 1 . 1 9 9 LEU HD13 H 1 0.888 0.002 . 2 . . . . . 9 LEU HD13 . 51593 1
35 . 1 . 1 9 9 LEU HD21 H 1 0.942 0.000 . 2 . . . . . 9 LEU HD21 . 51593 1
36 . 1 . 1 9 9 LEU HD22 H 1 0.942 0.000 . 2 . . . . . 9 LEU HD22 . 51593 1
37 . 1 . 1 9 9 LEU HD23 H 1 0.942 0.000 . 2 . . . . . 9 LEU HD23 . 51593 1
38 . 1 . 1 9 9 LEU CA C 13 55.998 0.000 . 1 . . . . . 9 LEU CA . 51593 1
39 . 1 . 1 9 9 LEU CB C 13 42.075 0.000 . 1 . . . . . 9 LEU CB . 51593 1
40 . 1 . 1 9 9 LEU CG C 13 26.978 0.000 . 1 . . . . . 9 LEU CG . 51593 1
41 . 1 . 1 9 9 LEU CD1 C 13 23.675 0.000 . 2 . . . . . 9 LEU CD1 . 51593 1
42 . 1 . 1 9 9 LEU CD2 C 13 24.695 0.000 . 2 . . . . . 9 LEU CD2 . 51593 1
43 . 1 . 1 10 10 ALA H H 1 8.268 0.001 . 1 . . . . . 10 ALA H . 51593 1
44 . 1 . 1 10 10 ALA HA H 1 4.238 0.000 . 1 . . . . . 10 ALA HA . 51593 1
45 . 1 . 1 10 10 ALA HB1 H 1 1.435 0.001 . 1 . . . . . 10 ALA HB1 . 51593 1
46 . 1 . 1 10 10 ALA HB2 H 1 1.435 0.001 . 1 . . . . . 10 ALA HB2 . 51593 1
47 . 1 . 1 10 10 ALA HB3 H 1 1.435 0.001 . 1 . . . . . 10 ALA HB3 . 51593 1
48 . 1 . 1 10 10 ALA CA C 13 53.158 0.000 . 1 . . . . . 10 ALA CA . 51593 1
49 . 1 . 1 10 10 ALA CB C 13 18.715 0.000 . 1 . . . . . 10 ALA CB . 51593 1
50 . 1 . 1 11 11 GLN HA H 1 4.222 0.000 . 1 . . . . . 11 GLN HA . 51593 1
51 . 1 . 1 11 11 GLN CA C 13 56.579 0.000 . 1 . . . . . 11 GLN CA . 51593 1
52 . 1 . 1 13 13 GLN HA H 1 4.226 0.000 . 1 . . . . . 13 GLN HA . 51593 1
53 . 1 . 1 13 13 GLN CA C 13 56.595 0.000 . 1 . . . . . 13 GLN CA . 51593 1
54 . 1 . 1 17 17 LYS H H 1 8.209 0.001 . 1 . . . . . 17 LYS H . 51593 1
55 . 1 . 1 17 17 LYS HA H 1 4.197 0.001 . 1 . . . . . 17 LYS HA . 51593 1
56 . 1 . 1 17 17 LYS HB2 H 1 1.707 0.001 . 1 . . . . . 17 LYS HB2 . 51593 1
57 . 1 . 1 17 17 LYS HG2 H 1 1.307 0.000 . 2 . . . . . 17 LYS HG2 . 51593 1
58 . 1 . 1 17 17 LYS HG3 H 1 1.355 0.000 . 2 . . . . . 17 LYS HG3 . 51593 1
59 . 1 . 1 17 17 LYS HE2 H 1 2.920 0.001 . 1 . . . . . 17 LYS HE2 . 51593 1
60 . 1 . 1 17 17 LYS CA C 13 56.286 0.000 . 1 . . . . . 17 LYS CA . 51593 1
61 . 1 . 1 17 17 LYS CB C 13 33.089 0.000 . 1 . . . . . 17 LYS CB . 51593 1
62 . 1 . 1 17 17 LYS CG C 13 24.762 0.000 . 1 . . . . . 17 LYS CG . 51593 1
63 . 1 . 1 17 17 LYS CE C 13 42.104 0.000 . 1 . . . . . 17 LYS CE . 51593 1
64 . 1 . 1 18 18 LYS H H 1 8.352 0.001 . 1 . . . . . 18 LYS H . 51593 1
65 . 1 . 1 18 18 LYS HA H 1 4.284 0.000 . 1 . . . . . 18 LYS HA . 51593 1
66 . 1 . 1 18 18 LYS HB2 H 1 1.782 0.000 . 2 . . . . . 18 LYS HB2 . 51593 1
67 . 1 . 1 18 18 LYS HB3 H 1 1.658 0.003 . 2 . . . . . 18 LYS HB3 . 51593 1
68 . 1 . 1 18 18 LYS HG2 H 1 1.336 0.001 . 1 . . . . . 18 LYS HG2 . 51593 1
69 . 1 . 1 18 18 LYS HE2 H 1 2.977 0.001 . 1 . . . . . 18 LYS HE2 . 51593 1
70 . 1 . 1 18 18 LYS CA C 13 56.096 0.000 . 1 . . . . . 18 LYS CA . 51593 1
71 . 1 . 1 18 18 LYS CB C 13 33.257 0.012 . 1 . . . . . 18 LYS CB . 51593 1
72 . 1 . 1 18 18 LYS CG C 13 24.726 0.000 . 1 . . . . . 18 LYS CG . 51593 1
73 . 1 . 1 18 18 LYS CE C 13 42.113 0.000 . 1 . . . . . 18 LYS CE . 51593 1
74 . 1 . 1 19 19 TYR H H 1 7.861 0.002 . 1 . . . . . 19 TYR H . 51593 1
75 . 1 . 1 19 19 TYR HA H 1 4.370 0.001 . 1 . . . . . 19 TYR HA . 51593 1
76 . 1 . 1 19 19 TYR HB2 H 1 2.854 0.000 . 2 . . . . . 19 TYR HB2 . 51593 1
77 . 1 . 1 19 19 TYR HB3 H 1 3.089 0.000 . 2 . . . . . 19 TYR HB3 . 51593 1
78 . 1 . 1 19 19 TYR CA C 13 59.191 0.000 . 1 . . . . . 19 TYR CA . 51593 1
79 . 1 . 1 19 19 TYR CB C 13 39.539 0.003 . 1 . . . . . 19 TYR CB . 51593 1
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