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 25820
_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 NOESY' . . . 25820 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 ACE H1 H 1 1.912 0.000 . . . . . . 3 ACE QH . 25820 1
2 . 1 1 1 1 ACE H2 H 1 1.912 0.000 . . . . . . 3 ACE QH . 25820 1
3 . 1 1 1 1 ACE H3 H 1 1.912 0.000 . . . . . . 3 ACE QH . 25820 1
4 . 1 1 2 2 NLE HA H 1 5.021 0.000 . . . . . A 4 NLE HA . 25820 1
5 . 1 1 2 2 NLE HB2 H 1 1.521 0.000 . . . . . A 4 NLE HB2 . 25820 1
6 . 1 1 2 2 NLE HB3 H 1 1.665 0.000 . . . . . A 4 NLE HB3 . 25820 1
7 . 1 1 2 2 NLE HG2 H 1 0.636 0.000 . . . . . A 4 NLE HG2 . 25820 1
8 . 1 1 2 2 NLE HG3 H 1 0.836 0.000 . . . . . A 4 NLE HG3 . 25820 1
9 . 1 1 2 2 NLE HN H 1 7.977 0.000 . . . . . A 4 NLE HN . 25820 1
10 . 1 1 2 2 NLE HD2 H 1 1.159 0.000 . . . . . A 4 NLE QD . 25820 1
11 . 1 1 2 2 NLE HD3 H 1 1.159 0.000 . . . . . A 4 NLE QD . 25820 1
12 . 1 1 2 2 NLE HE1 H 1 0.371 0.000 . . . . . A 4 NLE QE . 25820 1
13 . 1 1 2 2 NLE HE2 H 1 0.371 0.000 . . . . . A 4 NLE QE . 25820 1
14 . 1 1 2 2 NLE HE3 H 1 0.371 0.000 . . . . . A 4 NLE QE . 25820 1
15 . 1 1 3 3 ASP H H 1 8.807 0.001 . . . . . A 5 ASP H . 25820 1
16 . 1 1 3 3 ASP HA H 1 5.506 0.000 . . . . . A 5 ASP HA . 25820 1
17 . 1 1 3 3 ASP HB2 H 1 2.541 0.000 . . . . . A 5 ASP HB2 . 25820 1
18 . 1 1 3 3 ASP HB3 H 1 2.933 0.000 . . . . . A 5 ASP HB3 . 25820 1
19 . 1 1 4 4 TRP H H 1 7.928 0.000 . . . . . A 6 TRP H . 25820 1
20 . 1 1 4 4 TRP HA H 1 3.959 0.000 . . . . . A 6 TRP HA . 25820 1
21 . 1 1 4 4 TRP HB2 H 1 3.063 0.000 . . . . . A 6 TRP HB2 . 25820 1
22 . 1 1 4 4 TRP HB3 H 1 3.101 0.030 . . . . . A 6 TRP HB3 . 25820 1
23 . 1 1 4 4 TRP HD1 H 1 6.975 0.001 . . . . . A 6 TRP HD1 . 25820 1
24 . 1 1 4 4 TRP HE1 H 1 10.677 0.000 . . . . . A 6 TRP HE1 . 25820 1
25 . 1 1 4 4 TRP HE3 H 1 6.253 0.001 . . . . . A 6 TRP HE3 . 25820 1
26 . 1 1 4 4 TRP HZ2 H 1 7.420 0.000 . . . . . A 6 TRP HZ2 . 25820 1
27 . 1 1 4 4 TRP HZ3 H 1 6.661 0.000 . . . . . A 6 TRP HZ3 . 25820 1
28 . 1 1 4 4 TRP HH2 H 1 7.001 0.000 . . . . . A 6 TRP HH2 . 25820 1
29 . 1 1 5 5 PRO HA H 1 2.715 0.001 . . . . . A 7 PRO HA . 25820 1
30 . 1 1 5 5 PRO HB2 H 1 0.228 0.000 . . . . . A 7 PRO HB2 . 25820 1
31 . 1 1 5 5 PRO HB3 H 1 1.628 0.000 . . . . . A 7 PRO HB3 . 25820 1
32 . 1 1 5 5 PRO HG2 H 1 1.175 0.000 . . . . . A 7 PRO HG2 . 25820 1
33 . 1 1 5 5 PRO HG3 H 1 1.615 0.000 . . . . . A 7 PRO HG3 . 25820 1
34 . 1 1 5 5 PRO HD2 H 1 3.050 0.000 . . . . . A 7 PRO HD2 . 25820 1
35 . 1 1 5 5 PRO HD3 H 1 3.311 0.000 . . . . . A 7 PRO HD3 . 25820 1
36 . 1 1 6 6 4J2 HA H 1 4.844 0.000 . . . . . A 8 4J2 HA . 25820 1
37 . 1 1 6 6 4J2 HB2 H 1 2.832 0.000 . . . . . A 8 4J2 HB2 . 25820 1
38 . 1 1 6 6 4J2 HB3 H 1 3.059 0.000 . . . . . A 8 4J2 HB3 . 25820 1
39 . 1 1 6 6 4J2 HD1 H 1 7.115 0.001 . . . . . A 8 4J2 HD1 . 25820 1
40 . 1 1 6 6 4J2 HD2 H 1 7.382 0.002 . . . . . A 8 4J2 HD2 . 25820 1
41 . 1 1 6 6 4J2 HE1 H 1 7.553 0.000 . . . . . A 8 4J2 HE1 . 25820 1
42 . 1 1 6 6 4J2 HE3 H 1 7.924 0.000 . . . . . A 8 4J2 HE3 . 25820 1
43 . 1 1 6 6 4J2 HE4 H 1 7.592 0.000 . . . . . A 8 4J2 HE4 . 25820 1
44 . 1 1 6 6 4J2 HN H 1 8.868 0.000 . . . . . A 8 4J2 HN . 25820 1
45 . 1 1 6 6 4J2 HZ2 H 1 7.887 0.000 . . . . . A 8 4J2 HZ2 . 25820 1
46 . 1 1 6 6 4J2 HZ3 H 1 7.507 0.000 . . . . . A 8 4J2 HZ3 . 25820 1
47 . 1 1 7 7 ARG H H 1 8.308 0.000 . . . . . A 9 ARG H . 25820 1
48 . 1 1 7 7 ARG HA H 1 4.726 0.000 . . . . . A 9 ARG HA . 25820 1
49 . 1 1 7 7 ARG HB2 H 1 1.674 0.000 . . . . . A 9 ARG HB2 . 25820 1
50 . 1 1 7 7 ARG HB3 H 1 1.876 0.000 . . . . . A 9 ARG HB3 . 25820 1
51 . 1 1 7 7 ARG HG2 H 1 1.455 0.000 . . . . . A 9 ARG HG2 . 25820 1
52 . 1 1 7 7 ARG HG3 H 1 1.534 0.000 . . . . . A 9 ARG HG3 . 25820 1
53 . 1 1 7 7 ARG HD2 H 1 3.157 0.000 . . . . . A 9 ARG HD2 . 25820 1
54 . 1 1 7 7 ARG HD3 H 1 3.157 0.000 . . . . . A 9 ARG HD3 . 25820 1
55 . 1 1 7 7 ARG HE H 1 7.151 0.000 . . . . . A 9 ARG HE . 25820 1
56 . 1 1 8 8 TRP H H 1 9.085 0.000 . . . . . A 10 TRP H . 25820 1
57 . 1 1 8 8 TRP HA H 1 5.171 0.000 . . . . . A 10 TRP HA . 25820 1
58 . 1 1 8 8 TRP HB2 H 1 3.148 0.000 . . . . . A 10 TRP HB2 . 25820 1
59 . 1 1 8 8 TRP HB3 H 1 3.389 0.000 . . . . . A 10 TRP HB3 . 25820 1
60 . 1 1 8 8 TRP HD1 H 1 7.299 0.000 . . . . . A 10 TRP HD1 . 25820 1
61 . 1 1 8 8 TRP HE1 H 1 10.671 0.000 . . . . . A 10 TRP HE1 . 25820 1
62 . 1 1 8 8 TRP HE3 H 1 7.697 0.001 . . . . . A 10 TRP HE3 . 25820 1
63 . 1 1 8 8 TRP HZ2 H 1 7.498 0.000 . . . . . A 10 TRP HZ2 . 25820 1
64 . 1 1 8 8 TRP HZ3 H 1 6.962 0.001 . . . . . A 10 TRP HZ3 . 25820 1
65 . 1 1 8 8 TRP HH2 H 1 7.078 0.000 . . . . . A 10 TRP HH2 . 25820 1
66 . 1 1 9 9 LYS H H 1 8.689 0.000 . . . . . A 11 LYS H . 25820 1
67 . 1 1 9 9 LYS HA H 1 4.176 0.000 . . . . . A 11 LYS HA . 25820 1
68 . 1 1 9 9 LYS HB2 H 1 1.531 0.000 . . . . . A 11 LYS HB2 . 25820 1
69 . 1 1 9 9 LYS HB3 H 1 1.745 0.000 . . . . . A 11 LYS HB3 . 25820 1
70 . 1 1 9 9 LYS HG2 H 1 1.199 0.000 . . . . . A 11 LYS HG2 . 25820 1
71 . 1 1 9 9 LYS HG3 H 1 1.307 0.000 . . . . . A 11 LYS HG3 . 25820 1
72 . 1 1 9 9 LYS HD2 H 1 1.448 0.000 . . . . . A 11 LYS HD2 . 25820 1
73 . 1 1 9 9 LYS HD3 H 1 1.448 0.000 . . . . . A 11 LYS HD3 . 25820 1
74 . 1 1 9 9 LYS HE2 H 1 3.059 0.000 . . . . . A 11 LYS HE2 . 25820 1
75 . 1 1 9 9 LYS HE3 H 1 3.384 0.000 . . . . . A 11 LYS HE3 . 25820 1
76 . 1 1 9 9 LYS HZ1 H 1 7.881 0.000 . . . . . A 11 LYS HZ1 . 25820 1
77 . 1 1 9 9 LYS HZ2 H 1 7.881 0.000 . . . . . A 11 LYS QZ . 25820 1
78 . 1 1 9 9 LYS HZ3 H 1 7.881 0.000 . . . . . A 11 LYS QZ . 25820 1
79 . 1 1 10 10 NH2 HN1 H 1 6.497 0.000 . . . . . A 12 NH2 HN1 . 25820 1
80 . 1 1 10 10 NH2 HN2 H 1 7.128 0.000 . . . . . A 12 NH2 HN2 . 25820 1
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