Content for NMR-STAR saveframe, "assigned_chemical_shifts_4"
save_assigned_chemical_shifts_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4
_Assigned_chem_shift_list.Entry_ID 51260
_Assigned_chem_shift_list.ID 4
_Assigned_chem_shift_list.Name 'Helix 1 peptide from UBA(1) in 7 M guanidine hydrochloride'
_Assigned_chem_shift_list.Sample_condition_list_ID 4
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4
_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
10 '2D 1H-15N HSQC' . . . 51260 4
11 '3D HNCO' . . . 51260 4
12 '3D HNCA' . . . 51260 4
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
3 $software_3 . . 51260 4
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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 1 1 SER C C 13 174.588 0.002 . 1 . . . . . 155 SER C . 51260 4
2 . 1 . 1 2 2 THR H H 1 8.292 0.001 . 1 . . . . . 156 THR H . 51260 4
3 . 1 . 1 2 2 THR C C 13 174.277 0.002 . 1 . . . . . 156 THR C . 51260 4
4 . 1 . 1 2 2 THR CA C 13 62.185 0.010 . 1 . . . . . 156 THR CA . 51260 4
5 . 1 . 1 2 2 THR N N 15 117.050 0.004 . 1 . . . . . 156 THR N . 51260 4
6 . 1 . 1 3 3 LEU H H 1 8.274 0.001 . 1 . . . . . 157 LEU H . 51260 4
7 . 1 . 1 3 3 LEU C C 13 177.077 0.002 . 1 . . . . . 157 LEU C . 51260 4
8 . 1 . 1 3 3 LEU CA C 13 55.524 0.010 . 1 . . . . . 157 LEU CA . 51260 4
9 . 1 . 1 3 3 LEU N N 15 125.474 0.004 . 1 . . . . . 157 LEU N . 51260 4
10 . 1 . 1 4 4 VAL H H 1 8.147 0.001 . 1 . . . . . 158 VAL H . 51260 4
11 . 1 . 1 4 4 VAL C C 13 176.315 0.002 . 1 . . . . . 158 VAL C . 51260 4
12 . 1 . 1 4 4 VAL CA C 13 62.462 0.010 . 1 . . . . . 158 VAL CA . 51260 4
13 . 1 . 1 4 4 VAL N N 15 122.352 0.004 . 1 . . . . . 158 VAL N . 51260 4
14 . 1 . 1 5 5 THR H H 1 8.187 0.001 . 1 . . . . . 159 THR H . 51260 4
15 . 1 . 1 5 5 THR C C 13 174.995 0.002 . 1 . . . . . 159 THR C . 51260 4
16 . 1 . 1 5 5 THR CA C 13 61.829 0.010 . 1 . . . . . 159 THR CA . 51260 4
17 . 1 . 1 5 5 THR N N 15 117.894 0.004 . 1 . . . . . 159 THR N . 51260 4
18 . 1 . 1 6 6 GLY H H 1 8.418 0.001 . 1 . . . . . 160 GLY H . 51260 4
19 . 1 . 1 6 6 GLY C C 13 174.010 0.002 . 1 . . . . . 160 GLY C . 51260 4
20 . 1 . 1 6 6 GLY CA C 13 45.656 0.010 . 1 . . . . . 160 GLY CA . 51260 4
21 . 1 . 1 6 6 GLY N N 15 111.878 0.004 . 1 . . . . . 160 GLY N . 51260 4
22 . 1 . 1 7 7 SER H H 1 8.238 0.001 . 1 . . . . . 161 SER H . 51260 4
23 . 1 . 1 7 7 SER C C 13 174.717 0.002 . 1 . . . . . 161 SER C . 51260 4
24 . 1 . 1 7 7 SER CA C 13 58.547 0.010 . 1 . . . . . 161 SER CA . 51260 4
25 . 1 . 1 7 7 SER N N 15 116.309 0.004 . 1 . . . . . 161 SER N . 51260 4
26 . 1 . 1 8 8 GLU H H 1 8.606 0.001 . 1 . . . . . 162 GLU H . 51260 4
27 . 1 . 1 8 8 GLU C C 13 176.213 0.002 . 1 . . . . . 162 GLU C . 51260 4
28 . 1 . 1 8 8 GLU CA C 13 57.219 0.010 . 1 . . . . . 162 GLU CA . 51260 4
29 . 1 . 1 8 8 GLU N N 15 123.479 0.004 . 1 . . . . . 162 GLU N . 51260 4
30 . 1 . 1 9 9 TYR H H 1 8.047 0.001 . 1 . . . . . 163 TYR H . 51260 4
31 . 1 . 1 9 9 TYR C C 13 175.888 0.002 . 1 . . . . . 163 TYR C . 51260 4
32 . 1 . 1 9 9 TYR CA C 13 58.163 0.010 . 1 . . . . . 163 TYR CA . 51260 4
33 . 1 . 1 9 9 TYR N N 15 120.363 0.004 . 1 . . . . . 163 TYR N . 51260 4
34 . 1 . 1 10 10 GLU H H 1 8.295 0.001 . 1 . . . . . 164 GLU H . 51260 4
35 . 1 . 1 10 10 GLU C C 13 176.494 0.002 . 1 . . . . . 164 GLU C . 51260 4
36 . 1 . 1 10 10 GLU CA C 13 56.770 0.010 . 1 . . . . . 164 GLU CA . 51260 4
37 . 1 . 1 10 10 GLU N N 15 122.453 0.004 . 1 . . . . . 164 GLU N . 51260 4
38 . 1 . 1 11 11 THR H H 1 8.107 0.001 . 1 . . . . . 165 THR H . 51260 4
39 . 1 . 1 11 11 THR C C 13 174.460 0.002 . 1 . . . . . 165 THR C . 51260 4
40 . 1 . 1 11 11 THR CA C 13 61.973 0.010 . 1 . . . . . 165 THR CA . 51260 4
41 . 1 . 1 11 11 THR N N 15 115.257 0.004 . 1 . . . . . 165 THR N . 51260 4
42 . 1 . 1 12 12 MET H H 1 8.395 0.001 . 1 . . . . . 166 MET H . 51260 4
43 . 1 . 1 12 12 MET C C 13 176.052 0.002 . 1 . . . . . 166 MET C . 51260 4
44 . 1 . 1 12 12 MET CA C 13 55.908 0.010 . 1 . . . . . 166 MET CA . 51260 4
45 . 1 . 1 12 12 MET N N 15 123.510 0.004 . 1 . . . . . 166 MET N . 51260 4
46 . 1 . 1 13 13 LEU H H 1 8.278 0.001 . 1 . . . . . 167 LEU H . 51260 4
47 . 1 . 1 13 13 LEU C C 13 177.493 0.002 . 1 . . . . . 167 LEU C . 51260 4
48 . 1 . 1 13 13 LEU CA C 13 55.599 0.010 . 1 . . . . . 167 LEU CA . 51260 4
49 . 1 . 1 13 13 LEU N N 15 124.146 0.004 . 1 . . . . . 167 LEU N . 51260 4
50 . 1 . 1 14 14 THR H H 1 8.051 0.001 . 1 . . . . . 168 THR H . 51260 4
51 . 1 . 1 14 14 THR C C 13 174.528 0.002 . 1 . . . . . 168 THR C . 51260 4
52 . 1 . 1 14 14 THR CA C 13 62.077 0.010 . 1 . . . . . 168 THR CA . 51260 4
53 . 1 . 1 14 14 THR N N 15 115.131 0.004 . 1 . . . . . 168 THR N . 51260 4
54 . 1 . 1 15 15 GLU H H 1 8.387 0.001 . 1 . . . . . 169 GLU H . 51260 4
55 . 1 . 1 15 15 GLU C C 13 176.309 0.002 . 1 . . . . . 169 GLU C . 51260 4
56 . 1 . 1 15 15 GLU CA C 13 56.701 0.010 . 1 . . . . . 169 GLU CA . 51260 4
57 . 1 . 1 15 15 GLU N N 15 123.894 0.004 . 1 . . . . . 169 GLU N . 51260 4
58 . 1 . 1 16 16 ILE H H 1 8.107 0.001 . 1 . . . . . 170 ILE H . 51260 4
59 . 1 . 1 16 16 ILE C C 13 176.343 0.002 . 1 . . . . . 170 ILE C . 51260 4
60 . 1 . 1 16 16 ILE CA C 13 61.473 0.010 . 1 . . . . . 170 ILE CA . 51260 4
61 . 1 . 1 16 16 ILE N N 15 122.169 0.004 . 1 . . . . . 170 ILE N . 51260 4
62 . 1 . 1 17 17 MET H H 1 8.400 0.001 . 1 . . . . . 171 MET H . 51260 4
63 . 1 . 1 17 17 MET C C 13 176.180 0.002 . 1 . . . . . 171 MET C . 51260 4
64 . 1 . 1 17 17 MET CA C 13 55.737 0.010 . 1 . . . . . 171 MET CA . 51260 4
65 . 1 . 1 17 17 MET N N 15 125.010 0.004 . 1 . . . . . 171 MET N . 51260 4
66 . 1 . 1 18 18 SER H H 1 8.247 0.001 . 1 . . . . . 172 SER H . 51260 4
67 . 1 . 1 18 18 SER C C 13 174.514 0.002 . 1 . . . . . 172 SER C . 51260 4
68 . 1 . 1 18 18 SER CA C 13 58.440 0.010 . 1 . . . . . 172 SER CA . 51260 4
69 . 1 . 1 18 18 SER N N 15 117.677 0.004 . 1 . . . . . 172 SER N . 51260 4
70 . 1 . 1 19 19 MET H H 1 8.412 0.001 . 1 . . . . . 173 MET H . 51260 4
71 . 1 . 1 19 19 MET C C 13 176.555 0.002 . 1 . . . . . 173 MET C . 51260 4
72 . 1 . 1 19 19 MET CA C 13 55.866 0.010 . 1 . . . . . 173 MET CA . 51260 4
73 . 1 . 1 19 19 MET N N 15 122.820 0.004 . 1 . . . . . 173 MET N . 51260 4
74 . 1 . 1 20 20 GLY H H 1 8.313 0.001 . 1 . . . . . 174 GLY H . 51260 4
75 . 1 . 1 20 20 GLY C C 13 173.470 0.002 . 1 . . . . . 174 GLY C . 51260 4
76 . 1 . 1 20 20 GLY CA C 13 45.547 0.010 . 1 . . . . . 174 GLY CA . 51260 4
77 . 1 . 1 20 20 GLY N N 15 110.230 0.004 . 1 . . . . . 174 GLY N . 51260 4
78 . 1 . 1 21 21 TYR H H 1 8.026 0.001 . 1 . . . . . 175 TYR H . 51260 4
79 . 1 . 1 21 21 TYR C C 13 175.363 0.002 . 1 . . . . . 175 TYR C . 51260 4
80 . 1 . 1 21 21 TYR CA C 13 58.024 0.010 . 1 . . . . . 175 TYR CA . 51260 4
81 . 1 . 1 21 21 TYR N N 15 120.708 0.004 . 1 . . . . . 175 TYR N . 51260 4
82 . 1 . 1 22 22 GLU H H 1 8.152 0.001 . 1 . . . . . 176 GLU H . 51260 4
83 . 1 . 1 22 22 GLU CA C 13 58.589 0.010 . 1 . . . . . 176 GLU CA . 51260 4
84 . 1 . 1 22 22 GLU N N 15 127.504 0.004 . 1 . . . . . 176 GLU N . 51260 4
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save_