Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30630
_Assigned_chem_shift_list.ID 1
_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 'The CB atoms of ALA residues 14 and 18 are connected to the sulfur atom of CYS residues.'
_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' . . . 30630 1
2 '2D 1H-1H NOESY' . . . 30630 1
3 '2D 1H-1H TOCSY' . . . 30630 1
4 '2D 1H-1H NOESY' . . . 30630 1
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 1 1 ALA HA H 1 4.3086 0.0000 . 1 . . . . A 1 ALA HA . 30630 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.5676 0.0000 . 1 . . . . A 1 ALA HB1 . 30630 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.5676 0.0000 . 1 . . . . A 1 ALA HB2 . 30630 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.5676 0.0000 . 1 . . . . A 1 ALA HB3 . 30630 1
5 . 1 . 1 2 2 CYS HA H 1 4.9774 0.0000 . 1 . . . . A 2 CYS HA . 30630 1
6 . 1 . 1 2 2 CYS HB2 H 1 3.5808 0.0000 . 2 . . . . A 2 CYS HB2 . 30630 1
7 . 1 . 1 2 2 CYS HB3 H 1 3.0985 0.0000 . 2 . . . . A 2 CYS HB3 . 30630 1
8 . 1 . 1 3 3 GLY H H 1 8.7561 0.0000 . 1 . . . . A 3 GLY H . 30630 1
9 . 1 . 1 3 3 GLY HA2 H 1 3.9509 0.0000 . 2 . . . . A 3 GLY HA2 . 30630 1
10 . 1 . 1 3 3 GLY HA3 H 1 3.9514 0.0000 . 2 . . . . A 3 GLY HA3 . 30630 1
11 . 1 . 1 4 4 DBB H H 1 7.4919 0.0000 . 1 . . . . A 4 DBB H . 30630 1
12 . 1 . 1 4 4 DBB HA H 1 4.6570 0.0000 . 1 . . . . A 4 DBB HA . 30630 1
13 . 1 . 1 4 4 DBB HB2 H 1 3.7598 0.0000 . 1 . . . . A 4 DBB HB2 . 30630 1
14 . 1 . 1 4 4 DBB HG1 H 1 1.2893 0.0000 . 1 . . . . A 4 DBB HG1 . 30630 1
15 . 1 . 1 5 5 GLY H H 1 8.8116 0.0000 . 1 . . . . A 5 GLY H . 30630 1
16 . 1 . 1 5 5 GLY HA2 H 1 3.8438 0.0000 . 2 . . . . A 5 GLY HA2 . 30630 1
17 . 1 . 1 5 5 GLY HA3 H 1 4.2364 0.0000 . 2 . . . . A 5 GLY HA3 . 30630 1
18 . 1 . 1 6 6 IAS H H 1 7.6818 0.0000 . 1 . . . . A 6 IAS H . 30630 1
19 . 1 . 1 6 6 IAS HA H 1 4.5283 0.0000 . 1 . . . . A 6 IAS HA . 30630 1
20 . 1 . 1 6 6 IAS HB2 H 1 2.7581 0.0000 . 2 . . . . A 6 IAS HB2 . 30630 1
21 . 1 . 1 6 6 IAS HB3 H 1 2.7569 0.0000 . 2 . . . . A 6 IAS HB3 . 30630 1
22 . 1 . 1 7 7 GLY H H 1 8.2711 0.0000 . 1 . . . . A 7 GLY H . 30630 1
23 . 1 . 1 7 7 GLY HA2 H 1 3.9394 0.0000 . 2 . . . . A 7 GLY HA2 . 30630 1
24 . 1 . 1 7 7 GLY HA3 H 1 3.6890 0.0000 . 2 . . . . A 7 GLY HA3 . 30630 1
25 . 1 . 1 8 8 CYS H H 1 7.9433 0.0000 . 1 . . . . A 8 CYS H . 30630 1
26 . 1 . 1 8 8 CYS HA H 1 4.2874 0.0000 . 1 . . . . A 8 CYS HA . 30630 1
27 . 1 . 1 8 8 CYS HB2 H 1 2.9579 0.0000 . 2 . . . . A 8 CYS HB2 . 30630 1
28 . 1 . 1 8 8 CYS HB3 H 1 2.8816 0.0000 . 2 . . . . A 8 CYS HB3 . 30630 1
29 . 1 . 1 9 9 ALA H H 1 8.6281 0.0000 . 1 . . . . A 9 ALA H . 30630 1
30 . 1 . 1 9 9 ALA HA H 1 4.2648 0.0000 . 1 . . . . A 9 ALA HA . 30630 1
31 . 1 . 1 9 9 ALA HB1 H 1 1.3178 0.0000 . 1 . . . . A 9 ALA HB1 . 30630 1
32 . 1 . 1 9 9 ALA HB2 H 1 1.3178 0.0000 . 1 . . . . A 9 ALA HB2 . 30630 1
33 . 1 . 1 9 9 ALA HB3 H 1 1.3178 0.0000 . 1 . . . . A 9 ALA HB3 . 30630 1
34 . 1 . 1 10 10 LYS H H 1 8.5834 0.0000 . 1 . . . . A 10 LYS H . 30630 1
35 . 1 . 1 10 10 LYS HA H 1 4.5894 0.0000 . 1 . . . . A 10 LYS HA . 30630 1
36 . 1 . 1 10 10 LYS HB2 H 1 1.8216 0.0000 . 2 . . . . A 10 LYS HB2 . 30630 1
37 . 1 . 1 10 10 LYS HB3 H 1 1.8216 0.0000 . 2 . . . . A 10 LYS HB3 . 30630 1
38 . 1 . 1 10 10 LYS HG2 H 1 1.5315 0.0000 . 2 . . . . A 10 LYS HG2 . 30630 1
39 . 1 . 1 10 10 LYS HG3 H 1 1.5275 0.0000 . 2 . . . . A 10 LYS HG3 . 30630 1
40 . 1 . 1 10 10 LYS HD2 H 1 1.6936 0.0000 . 2 . . . . A 10 LYS HD2 . 30630 1
41 . 1 . 1 10 10 LYS HD3 H 1 1.6906 0.0000 . 2 . . . . A 10 LYS HD3 . 30630 1
42 . 1 . 1 10 10 LYS HE2 H 1 3.0198 0.0000 . 2 . . . . A 10 LYS HE2 . 30630 1
43 . 1 . 1 10 10 LYS HE3 H 1 3.0205 0.0000 . 2 . . . . A 10 LYS HE3 . 30630 1
44 . 1 . 1 11 11 DBB H H 1 8.4530 0.0000 . 1 . . . . A 11 DBB H . 30630 1
45 . 1 . 1 11 11 DBB HA H 1 4.8440 0.0000 . 1 . . . . A 11 DBB HA . 30630 1
46 . 1 . 1 11 11 DBB HB2 H 1 3.6230 0.0000 . 1 . . . . A 11 DBB HB2 . 30630 1
47 . 1 . 1 11 11 DBB HG1 H 1 1.2933 0.0000 . 1 . . . . A 11 DBB HG1 . 30630 1
48 . 1 . 1 12 12 CYS HA H 1 4.0425 0.0000 . 1 . . . . A 12 CYS HA . 30630 1
49 . 1 . 1 12 12 CYS HB2 H 1 2.8721 0.0000 . 2 . . . . A 12 CYS HB2 . 30630 1
50 . 1 . 1 12 12 CYS HB3 H 1 3.1253 0.0000 . 2 . . . . A 12 CYS HB3 . 30630 1
51 . 1 . 1 13 13 ALA H H 1 8.5341 0.0000 . 1 . . . . A 13 ALA H . 30630 1
52 . 1 . 1 13 13 ALA HA H 1 4.2466 0.0000 . 1 . . . . A 13 ALA HA . 30630 1
53 . 1 . 1 13 13 ALA HB1 H 1 1.3520 0.0000 . 1 . . . . A 13 ALA HB1 . 30630 1
54 . 1 . 1 13 13 ALA HB2 H 1 1.3520 0.0000 . 1 . . . . A 13 ALA HB2 . 30630 1
55 . 1 . 1 13 13 ALA HB3 H 1 1.3520 0.0000 . 1 . . . . A 13 ALA HB3 . 30630 1
56 . 1 . 1 14 14 ALA H H 1 8.0235 0.0000 . 1 . . . . A 14 ALA H . 30630 1
57 . 1 . 1 14 14 ALA HA H 1 4.4802 0.0000 . 1 . . . . A 14 ALA HA . 30630 1
58 . 1 . 1 14 14 ALA HB1 H 1 3.4106 0.0000 . 1 . . . . A 14 ALA HB1 . 30630 1
59 . 1 . 1 14 14 ALA HB2 H 1 3.1367 0.0000 . 1 . . . . A 14 ALA HB2 . 30630 1
60 . 1 . 1 14 14 ALA HB3 H 1 3.1367 0.0000 . 1 . . . . A 14 ALA HB3 . 30630 1
61 . 1 . 1 15 15 SER H H 1 8.4860 0.0000 . 1 . . . . A 15 SER H . 30630 1
62 . 1 . 1 15 15 SER HA H 1 4.3342 0.0000 . 1 . . . . A 15 SER HA . 30630 1
63 . 1 . 1 15 15 SER HB2 H 1 4.1431 0.0000 . 2 . . . . A 15 SER HB2 . 30630 1
64 . 1 . 1 15 15 SER HB3 H 1 3.9004 0.0000 . 2 . . . . A 15 SER HB3 . 30630 1
65 . 1 . 1 16 16 CYS H H 1 8.2100 0.0000 . 1 . . . . A 16 CYS H . 30630 1
66 . 1 . 1 16 16 CYS HA H 1 4.4372 0.0000 . 1 . . . . A 16 CYS HA . 30630 1
67 . 1 . 1 16 16 CYS HB2 H 1 2.2611 0.0000 . 2 . . . . A 16 CYS HB2 . 30630 1
68 . 1 . 1 16 16 CYS HB3 H 1 3.7104 0.0000 . 2 . . . . A 16 CYS HB3 . 30630 1
69 . 1 . 1 17 17 ALA H H 1 8.7704 0.0000 . 1 . . . . A 17 ALA H . 30630 1
70 . 1 . 1 17 17 ALA HA H 1 4.0630 0.0000 . 1 . . . . A 17 ALA HA . 30630 1
71 . 1 . 1 17 17 ALA HB1 H 1 1.4383 0.0000 . 1 . . . . A 17 ALA HB1 . 30630 1
72 . 1 . 1 17 17 ALA HB2 H 1 1.4383 0.0000 . 1 . . . . A 17 ALA HB2 . 30630 1
73 . 1 . 1 17 17 ALA HB3 H 1 1.4383 0.0000 . 1 . . . . A 17 ALA HB3 . 30630 1
74 . 1 . 1 18 18 ALA H H 1 7.9269 0.0000 . 1 . . . . A 18 ALA H . 30630 1
75 . 1 . 1 18 18 ALA HA H 1 4.6412 0.0000 . 1 . . . . A 18 ALA HA . 30630 1
76 . 1 . 1 18 18 ALA HB1 H 1 3.1551 0.0000 . 1 . . . . A 18 ALA HB1 . 30630 1
77 . 1 . 1 18 18 ALA HB2 H 1 3.0991 0.0000 . 1 . . . . A 18 ALA HB2 . 30630 1
78 . 1 . 1 18 18 ALA HB3 H 1 3.0991 0.0000 . 1 . . . . A 18 ALA HB3 . 30630 1
79 . 1 . 1 19 19 SER H H 1 8.1477 0.0000 . 1 . . . . A 19 SER H . 30630 1
80 . 1 . 1 19 19 SER HA H 1 4.2714 0.0000 . 1 . . . . A 19 SER HA . 30630 1
81 . 1 . 1 19 19 SER HB2 H 1 3.8444 0.0000 . 2 . . . . A 19 SER HB2 . 30630 1
82 . 1 . 1 19 19 SER HB3 H 1 3.8469 0.0000 . 2 . . . . A 19 SER HB3 . 30630 1
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