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 36044
_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 $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-1H TOCSY' 1 $sample_1 isotropic 36044 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36044 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.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 VAL HA H 1 4.118 0.001 . 1 . . . . A 1 VAL HA . 36044 1
2 . 1 1 1 1 VAL HB H 1 1.564 0.001 . 1 . . . . A 1 VAL HB . 36044 1
3 . 1 1 1 1 VAL HG11 H 1 0.970 0.005 . 2 . . . . A 1 VAL HG11 . 36044 1
4 . 1 1 1 1 VAL HG12 H 1 0.970 0.005 . 2 . . . . A 1 VAL HG12 . 36044 1
5 . 1 1 1 1 VAL HG13 H 1 0.970 0.005 . 2 . . . . A 1 VAL HG13 . 36044 1
6 . 1 1 1 1 VAL HG21 H 1 0.970 0.005 . 2 . . . . A 1 VAL HG21 . 36044 1
7 . 1 1 1 1 VAL HG22 H 1 0.970 0.005 . 2 . . . . A 1 VAL HG22 . 36044 1
8 . 1 1 1 1 VAL HG23 H 1 0.970 0.005 . 2 . . . . A 1 VAL HG23 . 36044 1
9 . 1 1 2 2 ALA H H 1 8.431 0.001 . 1 . . . . A 2 ALA H . 36044 1
10 . 1 1 2 2 ALA HA H 1 4.278 0.009 . 1 . . . . A 2 ALA HA . 36044 1
11 . 1 1 2 2 ALA HB1 H 1 1.415 0.006 . 1 . . . . A 2 ALA HB1 . 36044 1
12 . 1 1 2 2 ALA HB2 H 1 1.415 0.006 . 1 . . . . A 2 ALA HB2 . 36044 1
13 . 1 1 2 2 ALA HB3 H 1 1.415 0.006 . 1 . . . . A 2 ALA HB3 . 36044 1
14 . 1 1 3 3 ARG H H 1 8.222 0.016 . 1 . . . . A 3 ARG H . 36044 1
15 . 1 1 3 3 ARG HA H 1 4.378 0.008 . 1 . . . . A 3 ARG HA . 36044 1
16 . 1 1 3 3 ARG HB2 H 1 1.912 0.0022 . 2 . . . . A 3 ARG HB2 . 36044 1
17 . 1 1 3 3 ARG HB3 H 1 1.815 0.005 . 2 . . . . A 3 ARG HB3 . 36044 1
18 . 1 1 3 3 ARG HG2 H 1 1.437 0.019 . 2 . . . . A 3 ARG HG2 . 36044 1
19 . 1 1 3 3 ARG HG3 H 1 1.437 0.019 . 2 . . . . A 3 ARG HG3 . 36044 1
20 . 1 1 3 3 ARG HD2 H 1 3.062 0.002 . 2 . . . . A 3 ARG HD2 . 36044 1
21 . 1 1 3 3 ARG HD3 H 1 3.062 0.002 . 2 . . . . A 3 ARG HD3 . 36044 1
22 . 1 1 4 4 GLY H H 1 8.317 0.003 . 1 . . . . A 4 GLY H . 36044 1
23 . 1 1 4 4 GLY HA2 H 1 3.935 0.004 . 2 . . . . A 4 GLY HA2 . 36044 1
24 . 1 1 4 4 GLY HA3 H 1 3.935 0.004 . 2 . . . . A 4 GLY HA3 . 36044 1
25 . 1 1 5 5 TRP H H 1 7.990 0.002 . 1 . . . . A 5 TRP H . 36044 1
26 . 1 1 5 5 TRP HA H 1 4.607 0.001 . 1 . . . . A 5 TRP HA . 36044 1
27 . 1 1 5 5 TRP HB2 H 1 3.271 0.001 . 2 . . . . A 5 TRP HB2 . 36044 1
28 . 1 1 5 5 TRP HB3 H 1 3.271 0.001 . 2 . . . . A 5 TRP HB3 . 36044 1
29 . 1 1 5 5 TRP HD1 H 1 7.272 0.006 . 1 . . . . A 5 TRP HD1 . 36044 1
30 . 1 1 5 5 TRP HE1 H 1 10.17 0.000 . 1 . . . . A 5 TRP HE1 . 36044 1
31 . 1 1 5 5 TRP HE3 H 1 7.575 0.001 . 1 . . . . A 5 TRP HE3 . 36044 1
32 . 1 1 5 5 TRP HZ2 H 1 7.505 0.002 . 1 . . . . A 5 TRP HZ2 . 36044 1
33 . 1 1 5 5 TRP HZ3 H 1 7.150 0.000 . 1 . . . . A 5 TRP HZ3 . 36044 1
34 . 1 1 5 5 TRP HH2 H 1 7.227 0.015 . 1 . . . . A 5 TRP HH2 . 36044 1
35 . 1 1 6 6 LYS H H 1 8.018 0.005 . 1 . . . . A 6 LYS H . 36044 1
36 . 1 1 6 6 LYS HA H 1 4.149 0.000 . 1 . . . . A 6 LYS HA . 36044 1
37 . 1 1 6 6 LYS HB2 H 1 1.687 0.004 . 2 . . . . A 6 LYS HB2 . 36044 1
38 . 1 1 6 6 LYS HB3 H 1 1.687 0.004 . 2 . . . . A 6 LYS HB3 . 36044 1
39 . 1 1 6 6 LYS HG2 H 1 1.221 0.001 . 2 . . . . A 6 LYS HG2 . 36044 1
40 . 1 1 6 6 LYS HG3 H 1 1.221 0.001 . 2 . . . . A 6 LYS HG3 . 36044 1
41 . 1 1 6 6 LYS HD2 H 1 1.564 0.001 . 2 . . . . A 6 LYS HD2 . 36044 1
42 . 1 1 6 6 LYS HD3 H 1 1.564 0.001 . 2 . . . . A 6 LYS HD3 . 36044 1
43 . 1 1 7 7 ARG H H 1 8.522 0.224 . 1 . . . . A 7 ARG H . 36044 1
44 . 1 1 7 7 ARG HA H 1 4.141 0.009 . 1 . . . . A 7 ARG HA . 36044 1
45 . 1 1 7 7 ARG HB2 H 1 1.700 0.001 . 2 . . . . A 7 ARG HB2 . 36044 1
46 . 1 1 7 7 ARG HB3 H 1 1.700 0.001 . 2 . . . . A 7 ARG HB3 . 36044 1
47 . 1 1 7 7 ARG HG2 H 1 1.580 0.002 . 2 . . . . A 7 ARG HG2 . 36044 1
48 . 1 1 7 7 ARG HG3 H 1 1.580 0.002 . 2 . . . . A 7 ARG HG3 . 36044 1
49 . 1 1 8 8 LYS H H 1 8.106 0.002 . 1 . . . . A 8 LYS H . 36044 1
50 . 1 1 8 8 LYS HA H 1 4.141 0.009 . 1 . . . . A 8 LYS HA . 36044 1
51 . 1 1 8 8 LYS HB2 H 1 1.745 0.011 . 2 . . . . A 8 LYS HB2 . 36044 1
52 . 1 1 8 8 LYS HB3 H 1 1.745 0.011 . 2 . . . . A 8 LYS HB3 . 36044 1
53 . 1 1 8 8 LYS HG2 H 1 1.599 0.002 . 2 . . . . A 8 LYS HG2 . 36044 1
54 . 1 1 8 8 LYS HG3 H 1 1.599 0.002 . 2 . . . . A 8 LYS HG3 . 36044 1
55 . 1 1 8 8 LYS HE2 H 1 3.180 0.000 . 2 . . . . A 8 LYS HE2 . 36044 1
56 . 1 1 8 8 LYS HE3 H 1 3.180 0.000 . 2 . . . . A 8 LYS HE3 . 36044 1
57 . 1 1 9 9 CYS H H 1 8.367 0.007 . 1 . . . . A 9 CYS H . 36044 1
58 . 1 1 9 9 CYS HA H 1 4.272 0.173 . 1 . . . . A 9 CYS HA . 36044 1
59 . 1 1 9 9 CYS HB2 H 1 2.917 0.005 . 1 . . . . A 9 CYS HB2 . 36044 1
60 . 1 1 9 9 CYS HB3 H 1 2.917 0.005 . 1 . . . . A 9 CYS HB3 . 36044 1
61 . 1 1 10 10 PRO HB2 H 1 2.230 0.083 . 1 . . . . A 10 PRO HB2 . 36044 1
62 . 1 1 10 10 PRO HB3 H 1 2.230 0.083 . 1 . . . . A 10 PRO HB3 . 36044 1
63 . 1 1 10 10 PRO HG2 H 1 1.988 0.002 . 2 . . . . A 10 PRO HG2 . 36044 1
64 . 1 1 10 10 PRO HG3 H 1 1.988 0.002 . 2 . . . . A 10 PRO HG3 . 36044 1
65 . 1 1 10 10 PRO HD2 H 1 3.768 0.001 . 1 . . . . A 10 PRO HD2 . 36044 1
66 . 1 1 10 10 PRO HD3 H 1 3.768 0.001 . 1 . . . . A 10 PRO HD3 . 36044 1
67 . 1 1 11 11 LEU H H 1 8.267 0.017 . 1 . . . . A 11 LEU H . 36044 1
68 . 1 1 11 11 LEU HA H 1 4.250 0.802 . 1 . . . . A 11 LEU HA . 36044 1
69 . 1 1 11 11 LEU HB2 H 1 1.526 0.013 . 2 . . . . A 11 LEU HB2 . 36044 1
70 . 1 1 11 11 LEU HB3 H 1 1.526 0.013 . 2 . . . . A 11 LEU HB3 . 36044 1
71 . 1 1 11 11 LEU HG H 1 1.420 0.005 . 1 . . . . A 11 LEU HG . 36044 1
72 . 1 1 11 11 LEU HD11 H 1 0.872 0.004 . 2 . . . . A 11 LEU HD11 . 36044 1
73 . 1 1 11 11 LEU HD12 H 1 0.872 0.004 . 2 . . . . A 11 LEU HD12 . 36044 1
74 . 1 1 11 11 LEU HD13 H 1 0.872 0.004 . 2 . . . . A 11 LEU HD13 . 36044 1
75 . 1 1 11 11 LEU HD21 H 1 0.872 0.004 . 2 . . . . A 11 LEU HD21 . 36044 1
76 . 1 1 11 11 LEU HD22 H 1 0.872 0.004 . 2 . . . . A 11 LEU HD22 . 36044 1
77 . 1 1 11 11 LEU HD23 H 1 0.872 0.004 . 2 . . . . A 11 LEU HD23 . 36044 1
78 . 1 1 12 12 PHE H H 1 8.211 0.003 . 1 . . . . A 12 PHE H . 36044 1
79 . 1 1 12 12 PHE HA H 1 4.601 0.006 . 1 . . . . A 12 PHE HA . 36044 1
80 . 1 1 12 12 PHE HB2 H 1 3.178 0.000 . 1 . . . . A 12 PHE HB2 . 36044 1
81 . 1 1 12 12 PHE HB3 H 1 3.178 0.000 . 1 . . . . A 12 PHE HB3 . 36044 1
82 . 1 1 12 12 PHE HD1 H 1 7.258 0.009 . 3 . . . . A 12 PHE HD1 . 36044 1
83 . 1 1 12 12 PHE HD2 H 1 7.258 0.009 . 3 . . . . A 12 PHE HD2 . 36044 1
84 . 1 1 12 12 PHE HE1 H 1 7.372 0.002 . 3 . . . . A 12 PHE HE1 . 36044 1
85 . 1 1 12 12 PHE HE2 H 1 7.372 0.002 . 3 . . . . A 12 PHE HE2 . 36044 1
86 . 1 1 13 13 GLY H H 1 8.311 0.008 . 1 . . . . A 13 GLY H . 36044 1
87 . 1 1 13 13 GLY HA2 H 1 3.913 0.003 . 2 . . . . A 13 GLY HA2 . 36044 1
88 . 1 1 13 13 GLY HA3 H 1 3.913 0.003 . 2 . . . . A 13 GLY HA3 . 36044 1
89 . 1 1 14 14 LYS H H 1 8.211 0.006 . 1 . . . . A 14 LYS H . 36044 1
90 . 1 1 14 14 LYS HA H 1 4.367 0.001 . 1 . . . . A 14 LYS HA . 36044 1
91 . 1 1 14 14 LYS HB2 H 1 1.802 0.004 . 2 . . . . A 14 LYS HB2 . 36044 1
92 . 1 1 14 14 LYS HB3 H 1 1.802 0.004 . 2 . . . . A 14 LYS HB3 . 36044 1
93 . 1 1 14 14 LYS HG2 H 1 1.451 0.001 . 2 . . . . A 14 LYS HG2 . 36044 1
94 . 1 1 14 14 LYS HG3 H 1 1.451 0.001 . 2 . . . . A 14 LYS HG3 . 36044 1
95 . 1 1 14 14 LYS HD2 H 1 1.705 0.000 . 2 . . . . A 14 LYS HD2 . 36044 1
96 . 1 1 14 14 LYS HD3 H 1 1.705 0.000 . 2 . . . . A 14 LYS HD3 . 36044 1
97 . 1 1 14 14 LYS HE2 H 1 3.088 0.000 . 2 . . . . A 14 LYS HE2 . 36044 1
98 . 1 1 14 14 LYS HE3 H 1 3.088 0.000 . 2 . . . . A 14 LYS HE3 . 36044 1
99 . 1 1 15 15 GLY H H 1 8.499 0.003 . 1 . . . . A 15 GLY H . 36044 1
100 . 1 1 15 15 GLY HA2 H 1 3.972 0.000 . 2 . . . . A 15 GLY HA2 . 36044 1
101 . 1 1 15 15 GLY HA3 H 1 3.972 0.000 . 2 . . . . A 15 GLY HA3 . 36044 1
102 . 1 1 16 16 GLY H H 1 7.934 0.008 . 1 . . . . A 16 GLY H . 36044 1
103 . 1 1 16 16 GLY HA2 H 1 3.768 0.001 . 2 . . . . A 16 GLY HA2 . 36044 1
104 . 1 1 16 16 GLY HA3 H 1 3.768 0.001 . 2 . . . . A 16 GLY HA3 . 36044 1
stop_
save_