Content for NMR-STAR saveframe, "SH3A_conformation2_shift_list"
save_SH3A_conformation2_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode SH3A_conformation2_shift_list
_Assigned_chem_shift_list.Entry_ID 27814
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $all_samples_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 27814 2
2 '3D HNCA' . . . 27814 2
3 '3D HN(CO)CA' . . . 27814 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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 . 2 1 33 33 VAL CA C 13 62.205 0.066 . 1 . . . . . 29 VAL CA . 27814 2
2 . 2 1 34 34 LYS H H 1 8.458 0.001 . 1 . . . . . 30 LYS H . 27814 2
3 . 2 1 34 34 LYS CA C 13 56.503 0.027 . 1 . . . . . 30 LYS CA . 27814 2
4 . 2 1 34 34 LYS N N 15 125.727 0.011 . 1 . . . . . 30 LYS N . 27814 2
5 . 2 1 35 35 GLY H H 1 8.298 0.002 . 1 . . . . . 31 GLY H . 27814 2
6 . 2 1 35 35 GLY CA C 13 45.137 0.029 . 1 . . . . . 31 GLY CA . 27814 2
7 . 2 1 35 35 GLY N N 15 109.984 0.063 . 1 . . . . . 31 GLY N . 27814 2
8 . 2 1 36 36 GLU H H 1 8.208 0.002 . 1 . . . . . 32 GLU H . 27814 2
9 . 2 1 36 36 GLU CA C 13 56.402 0.024 . 1 . . . . . 32 GLU CA . 27814 2
10 . 2 1 36 36 GLU N N 15 120.431 0.034 . 1 . . . . . 32 GLU N . 27814 2
11 . 2 1 37 37 TRP H H 1 8.229 0.002 . 1 . . . . . 33 TRP H . 27814 2
12 . 2 1 37 37 TRP CA C 13 57.396 0.028 . 1 . . . . . 33 TRP CA . 27814 2
13 . 2 1 37 37 TRP N N 15 122.646 0.016 . 1 . . . . . 33 TRP N . 27814 2
14 . 2 1 38 38 VAL H H 1 7.824 0.001 . 1 . . . . . 34 VAL H . 27814 2
15 . 2 1 38 38 VAL CA C 13 61.774 0.063 . 1 . . . . . 34 VAL CA . 27814 2
16 . 2 1 38 38 VAL N N 15 123.209 0.007 . 1 . . . . . 34 VAL N . 27814 2
17 . 2 1 39 39 ASP H H 1 8.189 0.001 . 1 . . . . . 35 ASP H . 27814 2
18 . 2 1 39 39 ASP CA C 13 53.898 0.019 . 1 . . . . . 35 ASP CA . 27814 2
19 . 2 1 39 39 ASP N N 15 123.987 0.120 . 1 . . . . . 35 ASP N . 27814 2
20 . 2 1 40 40 GLU H H 1 8.549 0.000 . 1 . . . . . 36 GLU H . 27814 2
21 . 2 1 40 40 GLU CA C 13 57.103 0.025 . 1 . . . . . 36 GLU CA . 27814 2
22 . 2 1 40 40 GLU N N 15 123.398 0.025 . 1 . . . . . 36 GLU N . 27814 2
23 . 2 1 41 41 SER H H 1 8.462 0.000 . 1 . . . . . 37 SER H . 27814 2
24 . 2 1 41 41 SER CA C 13 59.423 0.000 . 1 . . . . . 37 SER CA . 27814 2
25 . 2 1 41 41 SER N N 15 116.396 0.032 . 1 . . . . . 37 SER N . 27814 2
26 . 2 1 42 42 GLN CA C 13 55.864 0.015 . 1 . . . . . 38 GLN CA . 27814 2
27 . 2 1 43 43 THR H H 1 7.999 0.001 . 1 . . . . . 39 THR H . 27814 2
28 . 2 1 43 43 THR CA C 13 62.086 0.065 . 1 . . . . . 39 THR CA . 27814 2
29 . 2 1 43 43 THR N N 15 113.556 0.047 . 1 . . . . . 39 THR N . 27814 2
30 . 2 1 44 44 GLY H H 1 8.216 0.001 . 1 . . . . . 40 GLY H . 27814 2
31 . 2 1 44 44 GLY CA C 13 45.010 0.064 . 1 . . . . . 40 GLY CA . 27814 2
32 . 2 1 44 44 GLY N N 15 110.927 0.040 . 1 . . . . . 40 GLY N . 27814 2
33 . 2 1 45 45 GLU H H 1 8.058 0.001 . 1 . . . . . 41 GLU H . 27814 2
34 . 2 1 45 45 GLU CA C 13 54.302 0.000 . 1 . . . . . 41 GLU CA . 27814 2
35 . 2 1 45 45 GLU N N 15 121.610 0.017 . 1 . . . . . 41 GLU N . 27814 2
36 . 2 1 47 47 GLY CA C 13 45.363 0.063 . 1 . . . . . 43 GLY CA . 27814 2
37 . 2 1 48 48 TRP H H 1 7.916 0.001 . 1 . . . . . 44 TRP H . 27814 2
38 . 2 1 48 48 TRP CA C 13 57.528 0.023 . 1 . . . . . 44 TRP CA . 27814 2
39 . 2 1 48 48 TRP N N 15 120.805 0.014 . 1 . . . . . 44 TRP N . 27814 2
40 . 2 1 49 49 LEU H H 1 8.094 0.003 . 1 . . . . . 45 LEU H . 27814 2
41 . 2 1 49 49 LEU CA C 13 55.213 0.026 . 1 . . . . . 45 LEU CA . 27814 2
42 . 2 1 49 49 LEU N N 15 124.649 0.014 . 1 . . . . . 45 LEU N . 27814 2
43 . 2 1 50 50 GLY H H 1 7.531 0.000 . 1 . . . . . 46 GLY H . 27814 2
44 . 2 1 50 50 GLY CA C 13 45.459 0.078 . 1 . . . . . 46 GLY CA . 27814 2
45 . 2 1 50 50 GLY N N 15 108.255 0.051 . 1 . . . . . 46 GLY N . 27814 2
46 . 2 1 51 51 GLY H H 1 8.084 0.001 . 1 . . . . . 47 GLY H . 27814 2
47 . 2 1 51 51 GLY CA C 13 45.265 0.000 . 1 . . . . . 47 GLY CA . 27814 2
48 . 2 1 51 51 GLY N N 15 108.463 0.058 . 1 . . . . . 47 GLY N . 27814 2
stop_
save_