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 51608
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name u(P3-7)2
_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 '3D HNCO' . . . 51608 1
2 '3D HN(CA)CO' . . . 51608 1
3 '3D HN(CO)CA' . . . 51608 1
4 '3D HNCA' . . . 51608 1
5 '3D HN(CO)CACB' . . . 51608 1
6 '2D CACO' . . . 51608 1
7 '2D CON' . . . 51608 1
stop_
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 . . 51608 1
2 $software_2 . . 51608 1
3 $software_3 . . 51608 1
4 $software_4 . . 51608 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 2 2 LYS C C 13 176.692 0.000 . 1 . . . . . 2 LYS C . 51608 1
2 . 1 . 1 2 2 LYS CA C 13 56.508 0.000 . 1 . . . . . 2 LYS CA . 51608 1
3 . 1 . 1 3 3 LEU H H 1 8.626 0.001 . 1 . . . . . 3 LEU H . 51608 1
4 . 1 . 1 3 3 LEU C C 13 177.487 0.000 . 1 . . . . . 3 LEU C . 51608 1
5 . 1 . 1 3 3 LEU CA C 13 55.459 0.000 . 1 . . . . . 3 LEU CA . 51608 1
6 . 1 . 1 3 3 LEU N N 15 124.906 0.002 . 1 . . . . . 3 LEU N . 51608 1
7 . 1 . 1 4 4 ALA H H 1 8.519 0.000 . 1 . . . . . 4 ALA H . 51608 1
8 . 1 . 1 4 4 ALA C C 13 178.398 0.000 . 1 . . . . . 4 ALA C . 51608 1
9 . 1 . 1 4 4 ALA CA C 13 53.101 0.000 . 1 . . . . . 4 ALA CA . 51608 1
10 . 1 . 1 4 4 ALA N N 15 125.208 0.004 . 1 . . . . . 4 ALA N . 51608 1
11 . 1 . 1 5 5 ALA H H 1 8.384 0.001 . 1 . . . . . 5 ALA H . 51608 1
12 . 1 . 1 5 5 ALA C C 13 179.146 0.000 . 1 . . . . . 5 ALA C . 51608 1
13 . 1 . 1 5 5 ALA CA C 13 53.609 0.000 . 1 . . . . . 5 ALA CA . 51608 1
14 . 1 . 1 5 5 ALA N N 15 122.909 0.007 . 1 . . . . . 5 ALA N . 51608 1
15 . 1 . 1 6 6 LEU H H 1 8.264 0.000 . 1 . . . . . 6 LEU H . 51608 1
16 . 1 . 1 6 6 LEU C C 13 178.520 0.000 . 1 . . . . . 6 LEU C . 51608 1
17 . 1 . 1 6 6 LEU CA C 13 56.572 0.000 . 1 . . . . . 6 LEU CA . 51608 1
18 . 1 . 1 6 6 LEU N N 15 120.934 0.006 . 1 . . . . . 6 LEU N . 51608 1
19 . 1 . 1 7 7 GLN H H 1 8.298 0.001 . 1 . . . . . 7 GLN H . 51608 1
20 . 1 . 1 7 7 GLN C C 13 177.580 0.000 . 1 . . . . . 7 GLN C . 51608 1
21 . 1 . 1 7 7 GLN CA C 13 57.542 0.000 . 1 . . . . . 7 GLN CA . 51608 1
22 . 1 . 1 7 7 GLN N N 15 120.197 0.008 . 1 . . . . . 7 GLN N . 51608 1
23 . 1 . 1 8 8 ALA H H 1 8.332 0.000 . 1 . . . . . 8 ALA H . 51608 1
24 . 1 . 1 8 8 ALA C C 13 179.368 0.000 . 1 . . . . . 8 ALA C . 51608 1
25 . 1 . 1 8 8 ALA CA C 13 53.972 0.000 . 1 . . . . . 8 ALA CA . 51608 1
26 . 1 . 1 8 8 ALA N N 15 124.072 0.005 . 1 . . . . . 8 ALA N . 51608 1
27 . 1 . 1 9 9 LEU H H 1 8.102 0.000 . 1 . . . . . 9 LEU H . 51608 1
28 . 1 . 1 9 9 LEU C C 13 178.792 0.000 . 1 . . . . . 9 LEU C . 51608 1
29 . 1 . 1 9 9 LEU CA C 13 56.913 0.000 . 1 . . . . . 9 LEU CA . 51608 1
30 . 1 . 1 9 9 LEU N N 15 121.040 0.004 . 1 . . . . . 9 LEU N . 51608 1
31 . 1 . 1 10 10 GLN H H 1 8.343 0.002 . 1 . . . . . 10 GLN H . 51608 1
32 . 1 . 1 10 10 GLN C C 13 177.844 0.000 . 1 . . . . . 10 GLN C . 51608 1
33 . 1 . 1 10 10 GLN CA C 13 57.708 0.000 . 1 . . . . . 10 GLN CA . 51608 1
34 . 1 . 1 10 10 GLN N N 15 119.896 0.006 . 1 . . . . . 10 GLN N . 51608 1
35 . 1 . 1 11 11 ALA H H 1 8.203 0.000 . 1 . . . . . 11 ALA H . 51608 1
36 . 1 . 1 11 11 ALA C C 13 179.555 0.000 . 1 . . . . . 11 ALA C . 51608 1
37 . 1 . 1 11 11 ALA CA C 13 54.015 0.000 . 1 . . . . . 11 ALA CA . 51608 1
38 . 1 . 1 11 11 ALA N N 15 123.610 0.006 . 1 . . . . . 11 ALA N . 51608 1
39 . 1 . 1 12 12 LEU H H 1 8.050 0.001 . 1 . . . . . 12 LEU H . 51608 1
40 . 1 . 1 12 12 LEU C C 13 178.834 0.000 . 1 . . . . . 12 LEU C . 51608 1
41 . 1 . 1 12 12 LEU CA C 13 56.858 0.000 . 1 . . . . . 12 LEU CA . 51608 1
42 . 1 . 1 12 12 LEU N N 15 121.350 0.014 . 1 . . . . . 12 LEU N . 51608 1
43 . 1 . 1 13 13 GLN H H 1 8.329 0.001 . 1 . . . . . 13 GLN H . 51608 1
44 . 1 . 1 13 13 GLN C C 13 177.788 0.000 . 1 . . . . . 13 GLN C . 51608 1
45 . 1 . 1 13 13 GLN CA C 13 57.440 0.000 . 1 . . . . . 13 GLN CA . 51608 1
46 . 1 . 1 13 13 GLN N N 15 119.807 0.008 . 1 . . . . . 13 GLN N . 51608 1
47 . 1 . 1 14 14 ALA H H 1 8.274 0.000 . 1 . . . . . 14 ALA H . 51608 1
48 . 1 . 1 14 14 ALA C C 13 179.044 0.000 . 1 . . . . . 14 ALA C . 51608 1
49 . 1 . 1 14 14 ALA CA C 13 53.772 0.000 . 1 . . . . . 14 ALA CA . 51608 1
50 . 1 . 1 14 14 ALA N N 15 123.715 0.003 . 1 . . . . . 14 ALA N . 51608 1
51 . 1 . 1 15 15 ALA H H 1 8.102 0.000 . 1 . . . . . 15 ALA H . 51608 1
52 . 1 . 1 15 15 ALA C C 13 179.170 0.000 . 1 . . . . . 15 ALA C . 51608 1
53 . 1 . 1 15 15 ALA CA C 13 53.605 0.000 . 1 . . . . . 15 ALA CA . 51608 1
54 . 1 . 1 15 15 ALA N N 15 122.098 0.004 . 1 . . . . . 15 ALA N . 51608 1
55 . 1 . 1 16 16 GLN H H 1 8.190 0.000 . 1 . . . . . 16 GLN H . 51608 1
56 . 1 . 1 16 16 GLN C C 13 176.826 0.000 . 1 . . . . . 16 GLN C . 51608 1
57 . 1 . 1 16 16 GLN CA C 13 56.652 0.000 . 1 . . . . . 16 GLN CA . 51608 1
58 . 1 . 1 16 16 GLN N N 15 118.428 0.010 . 1 . . . . . 16 GLN N . 51608 1
59 . 1 . 1 17 17 ALA H H 1 8.119 0.000 . 1 . . . . . 17 ALA H . 51608 1
60 . 1 . 1 17 17 ALA C C 13 177.828 0.000 . 1 . . . . . 17 ALA C . 51608 1
61 . 1 . 1 17 17 ALA CA C 13 52.943 0.000 . 1 . . . . . 17 ALA CA . 51608 1
62 . 1 . 1 17 17 ALA N N 15 123.732 0.007 . 1 . . . . . 17 ALA N . 51608 1
63 . 1 . 1 18 18 ALA H H 1 8.023 0.001 . 1 . . . . . 18 ALA H . 51608 1
64 . 1 . 1 18 18 ALA C C 13 177.718 0.000 . 1 . . . . . 18 ALA C . 51608 1
65 . 1 . 1 18 18 ALA CA C 13 52.488 0.000 . 1 . . . . . 18 ALA CA . 51608 1
66 . 1 . 1 18 18 ALA N N 15 122.073 0.005 . 1 . . . . . 18 ALA N . 51608 1
67 . 1 . 1 19 19 LYS H H 1 8.089 0.001 . 1 . . . . . 19 LYS H . 51608 1
68 . 1 . 1 19 19 LYS C C 13 176.128 0.000 . 1 . . . . . 19 LYS C . 51608 1
69 . 1 . 1 19 19 LYS CA C 13 56.335 0.000 . 1 . . . . . 19 LYS CA . 51608 1
70 . 1 . 1 19 19 LYS N N 15 120.726 0.006 . 1 . . . . . 19 LYS N . 51608 1
71 . 1 . 1 20 20 LYS H H 1 8.323 0.001 . 1 . . . . . 20 LYS H . 51608 1
72 . 1 . 1 20 20 LYS C C 13 175.213 0.000 . 1 . . . . . 20 LYS C . 51608 1
73 . 1 . 1 20 20 LYS CA C 13 56.060 0.000 . 1 . . . . . 20 LYS CA . 51608 1
74 . 1 . 1 20 20 LYS N N 15 123.443 0.005 . 1 . . . . . 20 LYS N . 51608 1
75 . 1 . 1 21 21 TYR H H 1 7.851 0.001 . 1 . . . . . 21 TYR H . 51608 1
76 . 1 . 1 21 21 TYR C C 13 180.482 0.000 . 1 . . . . . 21 TYR C . 51608 1
77 . 1 . 1 21 21 TYR CA C 13 59.140 0.000 . 1 . . . . . 21 TYR CA . 51608 1
78 . 1 . 1 21 21 TYR N N 15 126.264 0.000 . 1 . . . . . 21 TYR N . 51608 1
stop_
save_