Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 11543
_Assigned_chem_shift_list.ID 1
_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 $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-1H TOCSY' 1 $sample_1 isotropic 11543 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11543 1
3 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 11543 1
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.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 CYS HA H 1 4.267 0.002 . 1 . . . A 1 CYS HA . 11543 1
2 . 1 1 1 1 CYS HB2 H 1 3.448 0.007 . 2 . . . A 1 CYS HB2 . 11543 1
3 . 1 1 1 1 CYS HB3 H 1 3.285 0.008 . 2 . . . A 1 CYS HB3 . 11543 1
4 . 1 1 1 1 CYS CA C 13 51.937 0.000 . 1 . . . A 1 CYS CA . 11543 1
5 . 1 1 1 1 CYS CB C 13 40.010 0.007 . 1 . . . A 1 CYS CB . 11543 1
6 . 1 1 2 2 TYR H H 1 8.833 0.002 . 1 . . . A 2 TYR H . 11543 1
7 . 1 1 2 2 TYR HA H 1 4.793 0.001 . 1 . . . A 2 TYR HA . 11543 1
8 . 1 1 2 2 TYR HB2 H 1 2.988 0.008 . 2 . . . A 2 TYR HB2 . 11543 1
9 . 1 1 2 2 TYR HB3 H 1 3.210 0.005 . 2 . . . A 2 TYR HB3 . 11543 1
10 . 1 1 2 2 TYR HD1 H 1 7.184 0.001 . 3 . . . A 2 TYR HD1 . 11543 1
11 . 1 1 2 2 TYR HD2 H 1 7.184 0.001 . 3 . . . A 2 TYR HD2 . 11543 1
12 . 1 1 2 2 TYR HE1 H 1 6.868 0.000 . 3 . . . A 2 TYR HE1 . 11543 1
13 . 1 1 2 2 TYR HE2 H 1 6.868 0.000 . 3 . . . A 2 TYR HE2 . 11543 1
14 . 1 1 2 2 TYR CA C 13 55.676 0.000 . 1 . . . A 2 TYR CA . 11543 1
15 . 1 1 2 2 TYR CB C 13 36.444 0.003 . 1 . . . A 2 TYR CB . 11543 1
16 . 1 1 3 3 ILE H H 1 7.642 0.002 . 1 . . . A 3 ILE H . 11543 1
17 . 1 1 3 3 ILE HA H 1 4.144 0.001 . 1 . . . A 3 ILE HA . 11543 1
18 . 1 1 3 3 ILE HB H 1 1.852 0.002 . 1 . . . A 3 ILE HB . 11543 1
19 . 1 1 3 3 ILE HG12 H 1 1.074 0.003 . 2 . . . A 3 ILE HG12 . 11543 1
20 . 1 1 3 3 ILE HG13 H 1 1.346 0.005 . 2 . . . A 3 ILE HG13 . 11543 1
21 . 1 1 3 3 ILE HG21 H 1 0.912 0.001 . 4 . . . A 3 ILE HG21 . 11543 1
22 . 1 1 3 3 ILE HG22 H 1 0.912 0.001 . 4 . . . A 3 ILE HG22 . 11543 1
23 . 1 1 3 3 ILE HG23 H 1 0.912 0.001 . 4 . . . A 3 ILE HG23 . 11543 1
24 . 1 1 3 3 ILE HD11 H 1 0.861 0.001 . 4 . . . A 3 ILE HD11 . 11543 1
25 . 1 1 3 3 ILE HD12 H 1 0.861 0.001 . 4 . . . A 3 ILE HD12 . 11543 1
26 . 1 1 3 3 ILE HD13 H 1 0.861 0.001 . 4 . . . A 3 ILE HD13 . 11543 1
27 . 1 1 3 3 ILE CA C 13 58.724 0.000 . 1 . . . A 3 ILE CA . 11543 1
28 . 1 1 3 3 ILE CB C 13 36.522 0.002 . 1 . . . A 3 ILE CB . 11543 1
29 . 1 1 4 4 GLN H H 1 8.532 0.002 . 1 . . . A 4 GLN H . 11543 1
30 . 1 1 4 4 GLN HA H 1 4.120 0.000 . 1 . . . A 4 GLN HA . 11543 1
31 . 1 1 4 4 GLN HB2 H 1 2.075 0.005 . 2 . . . A 4 GLN HB2 . 11543 1
32 . 1 1 4 4 GLN HB3 H 1 2.075 0.005 . 2 . . . A 4 GLN HB3 . 11543 1
33 . 1 1 4 4 GLN HG2 H 1 2.413 0.005 . 1 . . . A 4 GLN HG2 . 11543 1
34 . 1 1 4 4 GLN HG3 H 1 2.413 0.005 . 1 . . . A 4 GLN HG3 . 11543 1
35 . 1 1 4 4 GLN HE21 H 1 6.869 0.002 . 2 . . . A 4 GLN HE21 . 11543 1
36 . 1 1 4 4 GLN HE22 H 1 7.566 0.000 . 2 . . . A 4 GLN HE22 . 11543 1
37 . 1 1 4 4 GLN CA C 13 54.881 0.000 . 1 . . . A 4 GLN CA . 11543 1
38 . 1 1 4 4 GLN CB C 13 25.495 0.004 . 1 . . . A 4 GLN CB . 11543 1
39 . 1 1 4 4 GLN CG C 13 30.804 0.005 . 1 . . . A 4 GLN CG . 11543 1
40 . 1 1 5 5 GLY H H 1 8.706 0.001 . 1 . . . A 5 GLY H . 11543 1
41 . 1 1 5 5 GLY HA2 H 1 3.789 0.005 . 2 . . . A 5 GLY HA2 . 11543 1
42 . 1 1 5 5 GLY HA3 H 1 4.221 0.005 . 2 . . . A 5 GLY HA3 . 11543 1
43 . 1 1 5 5 GLY CA C 13 42.455 0.011 . 1 . . . A 5 GLY CA . 11543 1
44 . 1 1 6 6 CYS H H 1 8.203 0.001 . 1 . . . A 6 CYS H . 11543 1
45 . 1 1 6 6 CYS HA H 1 4.620 0.002 . 1 . . . A 6 CYS HA . 11543 1
46 . 1 1 6 6 CYS HB2 H 1 3.266 0.002 . 2 . . . A 6 CYS HB2 . 11543 1
47 . 1 1 6 6 CYS HB3 H 1 3.380 0.006 . 2 . . . A 6 CYS HB3 . 11543 1
48 . 1 1 6 6 CYS CA C 13 54.458 0.000 . 1 . . . A 6 CYS CA . 11543 1
49 . 1 1 6 6 CYS CB C 13 40.418 0.008 . 1 . . . A 6 CYS CB . 11543 1
50 . 1 1 7 7 THR H H 1 8.193 0.003 . 1 . . . A 7 THR H . 11543 1
51 . 1 1 7 7 THR HA H 1 4.363 0.005 . 1 . . . A 7 THR HA . 11543 1
52 . 1 1 7 7 THR HB H 1 4.236 0.001 . 1 . . . A 7 THR HB . 11543 1
53 . 1 1 7 7 THR HG21 H 1 1.224 0.003 . 1 . . . A 7 THR HG21 . 11543 1
54 . 1 1 7 7 THR HG22 H 1 1.224 0.003 . 1 . . . A 7 THR HG22 . 11543 1
55 . 1 1 7 7 THR HG23 H 1 1.224 0.003 . 1 . . . A 7 THR HG23 . 11543 1
56 . 1 1 7 7 THR CA C 13 59.159 0.000 . 1 . . . A 7 THR CA . 11543 1
57 . 1 1 7 7 THR CB C 13 66.926 0.014 . 1 . . . A 7 THR CB . 11543 1
58 . 1 1 7 7 THR CG2 C 13 18.892 0.000 . 1 . . . A 7 THR CG2 . 11543 1
59 . 1 1 8 8 LEU H H 1 8.288 0.001 . 1 . . . A 8 LEU H . 11543 1
60 . 1 1 8 8 LEU HA H 1 4.405 0.003 . 1 . . . A 8 LEU HA . 11543 1
61 . 1 1 8 8 LEU HB2 H 1 1.651 0.006 . 2 . . . A 8 LEU HB2 . 11543 1
62 . 1 1 8 8 LEU HB3 H 1 1.651 0.006 . 2 . . . A 8 LEU HB3 . 11543 1
63 . 1 1 8 8 LEU HG H 1 1.642 0.018 . 1 . . . A 8 LEU HG . 11543 1
64 . 1 1 8 8 LEU HD11 H 1 0.932 0.004 . 2 . . . A 8 LEU HD11 . 11543 1
65 . 1 1 8 8 LEU HD12 H 1 0.932 0.004 . 2 . . . A 8 LEU HD12 . 11543 1
66 . 1 1 8 8 LEU HD13 H 1 0.932 0.004 . 2 . . . A 8 LEU HD13 . 11543 1
67 . 1 1 8 8 LEU HD21 H 1 0.880 0.003 . 2 . . . A 8 LEU HD21 . 11543 1
68 . 1 1 8 8 LEU HD22 H 1 0.880 0.003 . 2 . . . A 8 LEU HD22 . 11543 1
69 . 1 1 8 8 LEU HD23 H 1 0.880 0.003 . 1 . . . A 8 LEU HD23 . 11543 1
70 . 1 1 8 8 LEU CA C 13 52.514 0.000 . 1 . . . A 8 LEU CA . 11543 1
71 . 1 1 8 8 LEU CB C 13 39.471 0.025 . 1 . . . A 8 LEU CB . 11543 1
72 . 1 1 8 8 LEU CG C 13 24.277 0.000 . 1 . . . A 8 LEU CG . 11543 1
73 . 1 1 8 8 LEU CD1 C 13 22.191 0.000 . 2 . . . A 8 LEU CD1 . 11543 1
74 . 1 1 9 9 SER H H 1 8.209 0.002 . 1 . . . A 9 SER H . 11543 1
75 . 1 1 9 9 SER HA H 1 4.403 0.005 . 1 . . . A 9 SER HA . 11543 1
76 . 1 1 9 9 SER HB2 H 1 3.855 0.007 . 2 . . . A 9 SER HB2 . 11543 1
77 . 1 1 9 9 SER HB3 H 1 3.855 0.007 . 2 . . . A 9 SER HB3 . 11543 1
78 . 1 1 9 9 SER CA C 13 55.241 0.000 . 1 . . . A 9 SER CA . 11543 1
79 . 1 1 9 9 SER CB C 13 61.068 0.000 . 1 . . . A 9 SER CB . 11543 1
80 . 1 1 10 10 NH2 HN1 H 1 7.539 0.000 . 2 . . . . 10 NH2 HN1 . 11543 1
81 . 1 1 10 10 NH2 HN2 H 1 7.151 0.000 . 2 . . . . 10 NH2 HN2 . 11543 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 21 11543 1
1 22 11543 1
1 23 11543 1
1 24 11543 1
1 25 11543 1
1 26 11543 1
stop_
save_