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 34728
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name .
_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-15N HSQC' . . . 34728 2
2 '2D 1H-13C HSQC aliphatic' . . . 34728 2
3 '2D 1H-13C HSQC aromatic' . . . 34728 2
4 '3D 1H-15N NOESY' . . . 34728 2
5 '3D 1H-13C NOESY aliphatic' . . . 34728 2
6 '3D 1H-13C NOESY aromatic' . . . 34728 2
7 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34728 2
8 '2D F2- FILTERED NOESY' . . . 34728 2
9 '3D 1H-13C NOESY aliphatic' . . . 34728 2
10 '3D 1H-13C NOESY aliphatic' . . . 34728 2
11 '3D 1H-13C NOESY aromatic' . . . 34728 2
12 '3D 1H-13C NOESY aromatic' . . . 34728 2
13 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34728 2
14 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34728 2
15 '2D F2- FILTERED NOESY' . . . 34728 2
16 '2D F2- FILTERED NOESY' . . . 34728 2
17 '2D 1H-13C HSQC aliphatic' . . . 34728 2
18 '2D 1H-13C HSQC aliphatic' . . . 34728 2
19 '2D 1H-13C HSQC aromatic' . . . 34728 2
20 '2D 1H-13C HSQC aromatic' . . . 34728 2
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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 . 3 . 3 1 1 ALA HA H 1 4.172 0.020 . 1 . . . . D 1 ALA HA . 34728 2
2 . 3 . 3 1 1 ALA HB1 H 1 1.502 0.020 . 1 . . . . D 1 ALA HB1 . 34728 2
3 . 3 . 3 1 1 ALA HB2 H 1 1.502 0.020 . 1 . . . . D 1 ALA HB2 . 34728 2
4 . 3 . 3 1 1 ALA HB3 H 1 1.502 0.020 . 1 . . . . D 1 ALA HB3 . 34728 2
5 . 3 . 3 2 2 ARG HA H 1 4.497 0.020 . 1 . . . . D 2 ARG HA . 34728 2
6 . 3 . 3 2 2 ARG HB2 H 1 1.845 0.020 . 2 . . . . D 2 ARG HB2 . 34728 2
7 . 3 . 3 2 2 ARG HB3 H 1 1.768 0.020 . 2 . . . . D 2 ARG HB3 . 34728 2
8 . 3 . 3 2 2 ARG HG2 H 1 1.697 0.020 . 2 . . . . D 2 ARG HG2 . 34728 2
9 . 3 . 3 2 2 ARG HG3 H 1 1.654 0.020 . 2 . . . . D 2 ARG HG3 . 34728 2
10 . 3 . 3 2 2 ARG HD2 H 1 3.194 0.020 . 2 . . . . D 2 ARG HD2 . 34728 2
11 . 3 . 3 2 2 ARG HD3 H 1 3.194 0.020 . 2 . . . . D 2 ARG HD3 . 34728 2
12 . 3 . 3 3 3 THR HA H 1 4.292 0.020 . 1 . . . . D 3 THR HA . 34728 2
13 . 3 . 3 3 3 THR HG21 H 1 1.149 0.020 . 1 . . . . D 3 THR HG21 . 34728 2
14 . 3 . 3 3 3 THR HG22 H 1 1.149 0.020 . 1 . . . . D 3 THR HG22 . 34728 2
15 . 3 . 3 3 3 THR HG23 H 1 1.149 0.020 . 1 . . . . D 3 THR HG23 . 34728 2
16 . 3 . 3 4 4 M3L HB2 H 1 1.772 0.020 . 2 . . . . D 4 M3L HB2 . 34728 2
17 . 3 . 3 4 4 M3L HB3 H 1 1.772 0.020 . 2 . . . . D 4 M3L HB3 . 34728 2
18 . 3 . 3 4 4 M3L HD2 H 1 3.053 0.020 . 2 . . . . D 4 M3L HD2 . 34728 2
19 . 3 . 3 4 4 M3L HD3 H 1 3.053 0.020 . 2 . . . . D 4 M3L HD3 . 34728 2
20 . 3 . 3 4 4 M3L HG2 H 1 1.487 0.020 . 2 . . . . D 4 M3L HG2 . 34728 2
21 . 3 . 3 4 4 M3L HG3 H 1 1.407 0.020 . 2 . . . . D 4 M3L HG3 . 34728 2
22 . 3 . 3 4 4 M3L HM11 C 13 3.086 0.020 . 1 . . . . D 4 M3L HM11 . 34728 2
23 . 3 . 3 4 4 M3L HM12 C 13 3.086 0.020 . 1 . . . . D 4 M3L HM12 . 34728 2
24 . 3 . 3 4 4 M3L HM13 C 13 3.086 0.020 . 1 . . . . D 4 M3L HM13 . 34728 2
25 . 3 . 3 4 4 M3L HM21 H 1 3.086 0.020 . 1 . . . . D 4 M3L HM21 . 34728 2
26 . 3 . 3 4 4 M3L HM22 H 1 3.086 0.020 . 1 . . . . D 4 M3L HM22 . 34728 2
27 . 3 . 3 4 4 M3L HM23 H 1 3.086 0.020 . 1 . . . . D 4 M3L HM23 . 34728 2
28 . 3 . 3 4 4 M3L HM31 H 1 3.086 0.020 . 1 . . . . D 4 M3L HM31 . 34728 2
29 . 3 . 3 4 4 M3L HM32 H 1 3.086 0.020 . 1 . . . . D 4 M3L HM32 . 34728 2
30 . 3 . 3 4 4 M3L HM33 H 1 3.086 0.020 . 1 . . . . D 4 M3L HM33 . 34728 2
31 . 3 . 3 5 5 GLN HA H 1 4.456 0.020 . 1 . . . . D 5 GLN HA . 34728 2
32 . 3 . 3 5 5 GLN HB2 H 1 2.107 0.020 . 2 . . . . D 5 GLN HB2 . 34728 2
33 . 3 . 3 5 5 GLN HB3 H 1 2.000 0.020 . 2 . . . . D 5 GLN HB3 . 34728 2
34 . 3 . 3 5 5 GLN HG2 H 1 2.371 0.020 . 2 . . . . D 5 GLN HG2 . 34728 2
35 . 3 . 3 5 5 GLN HG3 H 1 2.371 0.020 . 2 . . . . D 5 GLN HG3 . 34728 2
36 . 3 . 3 6 6 THR HG21 H 1 1.212 0.020 . 1 . . . . D 6 THR HG21 . 34728 2
37 . 3 . 3 6 6 THR HG22 H 1 1.212 0.020 . 1 . . . . D 6 THR HG22 . 34728 2
38 . 3 . 3 6 6 THR HG23 H 1 1.212 0.020 . 1 . . . . D 6 THR HG23 . 34728 2
39 . 3 . 3 7 7 ALA HA H 1 4.336 0.020 . 1 . . . . D 7 ALA HA . 34728 2
40 . 3 . 3 7 7 ALA HB1 H 1 1.401 0.020 . 1 . . . . D 7 ALA HB1 . 34728 2
41 . 3 . 3 7 7 ALA HB2 H 1 1.401 0.020 . 1 . . . . D 7 ALA HB2 . 34728 2
42 . 3 . 3 7 7 ALA HB3 H 1 1.401 0.020 . 1 . . . . D 7 ALA HB3 . 34728 2
43 . 3 . 3 8 8 ARG HA H 1 4.251 0.020 . 1 . . . . D 8 ARG HA . 34728 2
44 . 3 . 3 8 8 ARG HB2 H 1 1.812 0.020 . 2 . . . . D 8 ARG HB2 . 34728 2
45 . 3 . 3 8 8 ARG HB3 H 1 1.731 0.020 . 2 . . . . D 8 ARG HB3 . 34728 2
46 . 3 . 3 8 8 ARG HG2 H 1 1.601 0.020 . 2 . . . . D 8 ARG HG2 . 34728 2
47 . 3 . 3 8 8 ARG HG3 H 1 1.601 0.020 . 2 . . . . D 8 ARG HG3 . 34728 2
48 . 3 . 3 8 8 ARG HD2 H 1 3.144 0.020 . 2 . . . . D 8 ARG HD2 . 34728 2
49 . 3 . 3 8 8 ARG HD3 H 1 3.144 0.020 . 2 . . . . D 8 ARG HD3 . 34728 2
50 . 3 . 3 9 9 LYS HA H 1 4.364 0.020 . 1 . . . . D 9 LYS HA . 34728 2
51 . 3 . 3 9 9 LYS HB2 H 1 1.835 0.020 . 2 . . . . D 9 LYS HB2 . 34728 2
52 . 3 . 3 9 9 LYS HB3 H 1 1.762 0.020 . 2 . . . . D 9 LYS HB3 . 34728 2
53 . 3 . 3 9 9 LYS HG2 H 1 1.460 0.020 . 2 . . . . D 9 LYS HG2 . 34728 2
54 . 3 . 3 9 9 LYS HG3 H 1 1.410 0.020 . 2 . . . . D 9 LYS HG3 . 34728 2
55 . 3 . 3 9 9 LYS HD2 H 1 1.670 0.020 . 2 . . . . D 9 LYS HD2 . 34728 2
56 . 3 . 3 9 9 LYS HD3 H 1 1.670 0.020 . 2 . . . . D 9 LYS HD3 . 34728 2
57 . 3 . 3 9 9 LYS HE2 H 1 2.974 0.020 . 2 . . . . D 9 LYS HE2 . 34728 2
58 . 3 . 3 9 9 LYS HE3 H 1 2.974 0.020 . 2 . . . . D 9 LYS HE3 . 34728 2
59 . 3 . 3 10 10 SER HA H 1 4.516 0.020 . 1 . . . . D 10 SER HA . 34728 2
60 . 3 . 3 10 10 SER HB2 H 1 3.915 0.020 . 2 . . . . D 10 SER HB2 . 34728 2
61 . 3 . 3 10 10 SER HB3 H 1 3.862 0.020 . 2 . . . . D 10 SER HB3 . 34728 2
62 . 3 . 3 12 12 GLY HA2 H 1 4.018 0.020 . 2 . . . . D 12 GLY HA2 . 34728 2
63 . 3 . 3 12 12 GLY HA3 H 1 3.932 0.020 . 2 . . . . D 12 GLY HA3 . 34728 2
64 . 3 . 3 13 13 GLY HA2 H 1 4.003 0.020 . 2 . . . . D 13 GLY HA2 . 34728 2
65 . 3 . 3 13 13 GLY HA3 H 1 3.948 0.020 . 2 . . . . D 13 GLY HA3 . 34728 2
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