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 30884
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_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' . . . 30884 1
2 '2D 1H-1H NOESY' . . . 30884 1
3 '2D 1H-13C HSQC' . . . 30884 1
4 '2D 1H-15N HSQC' . . . 30884 1
5 '2D 1H-1H TOCSY' . . . 30884 1
6 '2D 1H-1H TOCSY' . . . 30884 1
7 '2D 1H-1H TOCSY' . . . 30884 1
8 '2D 1H-1H TOCSY' . . . 30884 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 GLY H H 1 7.920 0.000 . . . . . A A 1 GLY H1 . 30884 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.556 0.000 . . . . . A A 1 GLY HA2 . 30884 1
3 . 1 . 1 1 1 GLY CA C 13 45.475 0.000 . . . . . A A 1 GLY CA . 30884 1
4 . 1 . 1 1 1 GLY N N 15 104.407 0.000 . . . . . A A 1 GLY N . 30884 1
5 . 1 . 1 2 2 TYR H H 1 7.474 0.000 . . . . . A A 2 TYR H . 30884 1
6 . 1 . 1 2 2 TYR HA H 1 4.608 0.000 . . . . . A A 2 TYR HA . 30884 1
7 . 1 . 1 2 2 TYR HB2 H 1 3.051 0.000 . . . . . A A 2 TYR HB2 . 30884 1
8 . 1 . 1 2 2 TYR HB3 H 1 2.822 0.000 . . . . . A A 2 TYR HB3 . 30884 1
9 . 1 . 1 2 2 TYR HD1 H 1 7.182 0.000 . . . . . A A 2 TYR HD1 . 30884 1
10 . 1 . 1 2 2 TYR HD2 H 1 7.182 0.000 . . . . . A A 2 TYR HD2 . 30884 1
11 . 1 . 1 2 2 TYR CA C 13 57.518 0.000 . . . . . A A 2 TYR CA . 30884 1
12 . 1 . 1 2 2 TYR CB C 13 39.126 0.000 . . . . . A A 2 TYR CB . 30884 1
13 . 1 . 1 2 2 TYR N N 15 115.874 0.000 . . . . . A A 2 TYR N . 30884 1
14 . 1 . 1 3 3 PHE H H 1 7.974 0.000 . . . . . A A 3 PHE H . 30884 1
15 . 1 . 1 3 3 PHE HA H 1 4.647 0.000 . . . . . A A 3 PHE HA . 30884 1
16 . 1 . 1 3 3 PHE HB2 H 1 3.116 0.000 . . . . . A A 3 PHE HB2 . 30884 1
17 . 1 . 1 3 3 PHE HB3 H 1 3.058 0.000 . . . . . A A 3 PHE HB3 . 30884 1
18 . 1 . 1 3 3 PHE CA C 13 56.398 0.000 . . . . . A A 3 PHE CA . 30884 1
19 . 1 . 1 3 3 PHE CB C 13 40.216 0.000 . . . . . A A 3 PHE CB . 30884 1
20 . 1 . 1 3 3 PHE N N 15 122.026 0.000 . . . . . A A 3 PHE N . 30884 1
21 . 1 . 1 4 4 PRO HA H 1 3.960 0.000 . . . . . A A 4 PRO HA . 30884 1
22 . 1 . 1 4 4 PRO HB2 H 1 1.935 0.000 . . . . . A A 4 PRO HB2 . 30884 1
23 . 1 . 1 4 4 PRO HB3 H 1 1.531 0.000 . . . . . A A 4 PRO HB3 . 30884 1
24 . 1 . 1 4 4 PRO HG2 H 1 1.749 0.000 . . . . . A A 4 PRO HG2 . 30884 1
25 . 1 . 1 4 4 PRO HG3 H 1 1.667 0.000 . . . . . A A 4 PRO HG3 . 30884 1
26 . 1 . 1 4 4 PRO HD2 H 1 3.592 0.000 . . . . . A A 4 PRO HD2 . 30884 1
27 . 1 . 1 4 4 PRO HD3 H 1 3.484 0.000 . . . . . A A 4 PRO HD3 . 30884 1
28 . 1 . 1 4 4 PRO CA C 13 63.353 0.000 . . . . . A A 4 PRO CA . 30884 1
29 . 1 . 1 4 4 PRO CB C 13 33.630 0.000 . . . . . A A 4 PRO CB . 30884 1
30 . 1 . 1 4 4 PRO CG C 13 24.335 0.000 . . . . . A A 4 PRO CG . 30884 1
31 . 1 . 1 5 5 VAL H H 1 7.052 0.000 . . . . . A A 5 VAL H . 30884 1
32 . 1 . 1 5 5 VAL HA H 1 4.422 0.000 . . . . . A A 5 VAL HA . 30884 1
33 . 1 . 1 5 5 VAL HB H 1 2.353 0.000 . . . . . A A 5 VAL HB . 30884 1
34 . 1 . 1 5 5 VAL HG11 H 1 1.011 0.000 . . . . . A A 5 VAL HG11 . 30884 1
35 . 1 . 1 5 5 VAL HG12 H 1 1.011 0.000 . . . . . A A 5 VAL HG12 . 30884 1
36 . 1 . 1 5 5 VAL HG13 H 1 1.011 0.000 . . . . . A A 5 VAL HG13 . 30884 1
37 . 1 . 1 5 5 VAL HG21 H 1 0.976 0.000 . . . . . A A 5 VAL HG21 . 30884 1
38 . 1 . 1 5 5 VAL HG22 H 1 0.976 0.000 . . . . . A A 5 VAL HG22 . 30884 1
39 . 1 . 1 5 5 VAL HG23 H 1 0.976 0.000 . . . . . A A 5 VAL HG23 . 30884 1
40 . 1 . 1 5 5 VAL CA C 13 60.402 0.000 . . . . . A A 5 VAL CA . 30884 1
41 . 1 . 1 5 5 VAL CB C 13 32.714 0.000 . . . . . A A 5 VAL CB . 30884 1
42 . 1 . 1 5 5 VAL CG1 C 13 20.196 0.000 . . . . . A A 5 VAL CG1 . 30884 1
43 . 1 . 1 5 5 VAL CG2 C 13 21.383 0.000 . . . . . A A 5 VAL CG2 . 30884 1
44 . 1 . 1 5 5 VAL N N 15 106.510 0.000 . . . . . A A 5 VAL N . 30884 1
45 . 1 . 1 6 6 GLY H H 1 7.935 0.000 . . . . . A A 6 GLY H . 30884 1
46 . 1 . 1 6 6 GLY HA2 H 1 3.634 0.000 . . . . . A A 6 GLY HA2 . 30884 1
47 . 1 . 1 6 6 GLY CA C 13 45.814 0.000 . . . . . A A 6 GLY CA . 30884 1
48 . 1 . 1 6 6 GLY N N 15 106.488 0.000 . . . . . A A 6 GLY N . 30884 1
49 . 1 . 1 7 7 VAL H H 1 7.439 0.000 . . . . . A A 7 VAL H . 30884 1
50 . 1 . 1 7 7 VAL HA H 1 4.135 0.000 . . . . . A A 7 VAL HA . 30884 1
51 . 1 . 1 7 7 VAL HB H 1 2.038 0.000 . . . . . A A 7 VAL HB . 30884 1
52 . 1 . 1 7 7 VAL HG11 H 1 1.005 0.000 . . . . . A A 7 VAL HG11 . 30884 1
53 . 1 . 1 7 7 VAL HG12 H 1 1.005 0.000 . . . . . A A 7 VAL HG12 . 30884 1
54 . 1 . 1 7 7 VAL HG13 H 1 1.005 0.000 . . . . . A A 7 VAL HG13 . 30884 1
55 . 1 . 1 7 7 VAL HG21 H 1 0.961 0.000 . . . . . A A 7 VAL HG21 . 30884 1
56 . 1 . 1 7 7 VAL HG22 H 1 0.961 0.000 . . . . . A A 7 VAL HG22 . 30884 1
57 . 1 . 1 7 7 VAL HG23 H 1 0.961 0.000 . . . . . A A 7 VAL HG23 . 30884 1
58 . 1 . 1 7 7 VAL CA C 13 62.539 0.000 . . . . . A A 7 VAL CA . 30884 1
59 . 1 . 1 7 7 VAL CB C 13 32.544 0.000 . . . . . A A 7 VAL CB . 30884 1
60 . 1 . 1 7 7 VAL CG1 C 13 20.976 0.000 . . . . . A A 7 VAL CG1 . 30884 1
61 . 1 . 1 7 7 VAL CG2 C 13 20.298 0.000 . . . . . A A 7 VAL CG2 . 30884 1
62 . 1 . 1 7 7 VAL N N 15 115.761 0.000 . . . . . A A 7 VAL N . 30884 1
63 . 1 . 1 8 8 ASP H H 1 8.219 0.001 . . . . . A A 8 ASP H . 30884 1
64 . 1 . 1 8 8 ASP HA H 1 4.454 0.000 . . . . . A A 8 ASP HA . 30884 1
65 . 1 . 1 8 8 ASP HB2 H 1 3.062 0.000 . . . . . A A 8 ASP HB2 . 30884 1
66 . 1 . 1 8 8 ASP HB3 H 1 2.879 0.000 . . . . . A A 8 ASP HB3 . 30884 1
67 . 1 . 1 8 8 ASP CA C 13 53.888 0.000 . . . . . A A 8 ASP CA . 30884 1
68 . 1 . 1 8 8 ASP CB C 13 37.565 0.000 . . . . . A A 8 ASP CB . 30884 1
stop_
save_