Content for NMR-STAR saveframe, assigned_chemical_shifts_2
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 51863
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'PDIA6 MLVpS methyl group assignment'
_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 'state B'
_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-13C HMQC' . . . 51863 2
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 . . 51863 2
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 . 1 279 279 VAL HG21 H 1 -0.12843 . . . . . . . . 298 VAL MG2 . 51863 2
2 . 1 . 1 279 279 VAL HG22 H 1 -0.12843 . . . . . . . . 298 VAL MG2 . 51863 2
3 . 1 . 1 279 279 VAL HG23 H 1 -0.12843 . . . . . . . . 298 VAL MG2 . 51863 2
4 . 1 . 1 279 279 VAL CG2 C 13 20.06348 . . . . . . . . 298 VAL CG2 . 51863 2
5 . 1 . 1 280 280 VAL HG21 H 1 0.79433 . . . . . . . . 299 VAL MG2 . 51863 2
6 . 1 . 1 280 280 VAL HG22 H 1 0.79433 . . . . . . . . 299 VAL MG2 . 51863 2
7 . 1 . 1 280 280 VAL HG23 H 1 0.79433 . . . . . . . . 299 VAL MG2 . 51863 2
8 . 1 . 1 280 280 VAL CG2 C 13 20.85878 . . . . . . . . 299 VAL CG2 . 51863 2
9 . 1 . 1 282 282 VAL HG21 H 1 0.73696 . . . . . . . . 301 VAL MG2 . 51863 2
10 . 1 . 1 282 282 VAL HG22 H 1 0.73696 . . . . . . . . 301 VAL MG2 . 51863 2
11 . 1 . 1 282 282 VAL HG23 H 1 0.73696 . . . . . . . . 301 VAL MG2 . 51863 2
12 . 1 . 1 282 282 VAL CG2 C 13 19.50117 . . . . . . . . 301 VAL CG2 . 51863 2
13 . 1 . 1 301 301 LEU HD21 H 1 1.05719 . . . . . . . . 320 LEU MD2 . 51863 2
14 . 1 . 1 301 301 LEU HD22 H 1 1.05719 . . . . . . . . 320 LEU MD2 . 51863 2
15 . 1 . 1 301 301 LEU HD23 H 1 1.05719 . . . . . . . . 320 LEU MD2 . 51863 2
16 . 1 . 1 301 301 LEU CD2 C 13 22.95934 . . . . . . . . 320 LEU CD2 . 51863 2
17 . 1 . 1 302 302 LEU HD21 H 1 0.88274 . . . . . . . . 321 LEU MD2 . 51863 2
18 . 1 . 1 302 302 LEU HD22 H 1 0.88274 . . . . . . . . 321 LEU MD2 . 51863 2
19 . 1 . 1 302 302 LEU HD23 H 1 0.88274 . . . . . . . . 321 LEU MD2 . 51863 2
20 . 1 . 1 302 302 LEU CD2 C 13 23.93782 . . . . . . . . 321 LEU CD2 . 51863 2
21 . 1 . 1 312 312 MET HE1 H 1 2.12152 . . . . . . . . 331 MET ME . 51863 2
22 . 1 . 1 312 312 MET HE2 H 1 2.12152 . . . . . . . . 331 MET ME . 51863 2
23 . 1 . 1 312 312 MET HE3 H 1 2.12152 . . . . . . . . 331 MET ME . 51863 2
24 . 1 . 1 312 312 MET CE C 13 17.16999 . . . . . . . . 331 MET CE . 51863 2
25 . 1 . 1 316 316 LEU HD21 H 1 1.0813 . . . . . . . . 335 LEU MD2 . 51863 2
26 . 1 . 1 316 316 LEU HD22 H 1 1.0813 . . . . . . . . 335 LEU MD2 . 51863 2
27 . 1 . 1 316 316 LEU HD23 H 1 1.0813 . . . . . . . . 335 LEU MD2 . 51863 2
28 . 1 . 1 316 316 LEU CD2 C 13 24.04443 . . . . . . . . 335 LEU CD2 . 51863 2
29 . 1 . 1 340 340 MET HE1 H 1 1.98743 . . . . . . . . 359 MET ME . 51863 2
30 . 1 . 1 340 340 MET HE2 H 1 1.98743 . . . . . . . . 359 MET ME . 51863 2
31 . 1 . 1 340 340 MET HE3 H 1 1.98743 . . . . . . . . 359 MET ME . 51863 2
32 . 1 . 1 340 340 MET CE C 13 18.66559 . . . . . . . . 359 MET CE . 51863 2
33 . 1 . 1 348 348 MET HE1 H 1 2.03577 . . . . . . . . 367 MET ME . 51863 2
34 . 1 . 1 348 348 MET HE2 H 1 2.03577 . . . . . . . . 367 MET ME . 51863 2
35 . 1 . 1 348 348 MET HE3 H 1 2.03577 . . . . . . . . 367 MET ME . 51863 2
36 . 1 . 1 348 348 MET CE C 13 16.55884 . . . . . . . . 367 MET CE . 51863 2
37 . 1 . 1 352 352 LEU HD21 H 1 1.12738 . . . . . . . . 371 LEU MD2 . 51863 2
38 . 1 . 1 352 352 LEU HD22 H 1 1.12738 . . . . . . . . 371 LEU MD2 . 51863 2
39 . 1 . 1 352 352 LEU HD23 H 1 1.12738 . . . . . . . . 371 LEU MD2 . 51863 2
40 . 1 . 1 352 352 LEU CD2 C 13 25.42193 . . . . . . . . 371 LEU CD2 . 51863 2
41 . 1 . 1 366 366 LEU HD21 H 1 0.53804 . . . . . . . . 385 LEU MD2 . 51863 2
42 . 1 . 1 366 366 LEU HD22 H 1 0.53804 . . . . . . . . 385 LEU MD2 . 51863 2
43 . 1 . 1 366 366 LEU HD23 H 1 0.53804 . . . . . . . . 385 LEU MD2 . 51863 2
44 . 1 . 1 366 366 LEU CD2 C 13 21.03768 . . . . . . . . 385 LEU CD2 . 51863 2
45 . 1 . 1 369 369 LEU HD21 H 1 0.00321 . . . . . . . . 388 LEU MD2 . 51863 2
46 . 1 . 1 369 369 LEU HD22 H 1 0.00321 . . . . . . . . 388 LEU MD2 . 51863 2
47 . 1 . 1 369 369 LEU HD23 H 1 0.00321 . . . . . . . . 388 LEU MD2 . 51863 2
48 . 1 . 1 369 369 LEU CD2 C 13 23.98683 . . . . . . . . 388 LEU CD2 . 51863 2
49 . 1 . 1 388 388 VAL HG21 H 1 1.00598 . . . . . . . . 407 VAL MG2 . 51863 2
50 . 1 . 1 388 388 VAL HG22 H 1 1.00598 . . . . . . . . 407 VAL MG2 . 51863 2
51 . 1 . 1 388 388 VAL HG23 H 1 1.00598 . . . . . . . . 407 VAL MG2 . 51863 2
52 . 1 . 1 388 388 VAL CG2 C 13 19.60028 . . . . . . . . 407 VAL CG2 . 51863 2
stop_
save_