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 36451
_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 $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 $VR18 isotropic 36451 1
2 '2D trNOESY' 1 $VR18 isotropic 36451 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 2 2 ALA H H 1 8.642 0.020 . 1 . . . . A 2 ALA H . 36451 1
2 . 1 . 1 2 2 ALA HA H 1 4.385 0.003 . 1 . . . . A 2 ALA HA . 36451 1
3 . 1 . 1 2 2 ALA HB1 H 1 1.394 0.015 . 1 . . . . A 2 ALA HB1 . 36451 1
4 . 1 . 1 2 2 ALA HB2 H 1 1.394 0.015 . 1 . . . . A 2 ALA HB2 . 36451 1
5 . 1 . 1 2 2 ALA HB3 H 1 1.394 0.015 . 1 . . . . A 2 ALA HB3 . 36451 1
6 . 1 . 1 3 3 ARG H H 1 8.477 0.028 . 1 . . . . A 3 ARG H . 36451 1
7 . 1 . 1 3 3 ARG HA H 1 4.256 0.003 . 1 . . . . A 3 ARG HA . 36451 1
8 . 1 . 1 3 3 ARG HB2 H 1 1.720 0.006 . 2 . . . . A 3 ARG HB2 . 36451 1
9 . 1 . 1 3 3 ARG HB3 H 1 1.720 0.006 . 2 . . . . A 3 ARG HB3 . 36451 1
10 . 1 . 1 3 3 ARG HG2 H 1 1.614 0.018 . 2 . . . . A 3 ARG HG2 . 36451 1
11 . 1 . 1 3 3 ARG HG3 H 1 1.614 0.018 . 2 . . . . A 3 ARG HG3 . 36451 1
12 . 1 . 1 4 4 GLY H H 1 8.424 0.019 . 1 . . . . A 4 GLY H . 36451 1
13 . 1 . 1 4 4 GLY HA2 H 1 3.896 0.001 . 2 . . . . A 4 GLY HA2 . 36451 1
14 . 1 . 1 4 4 GLY HA3 H 1 3.896 0.001 . 2 . . . . A 4 GLY HA3 . 36451 1
15 . 1 . 1 5 5 TRP H H 1 8.069 0.011 . 1 . . . . A 5 TRP H . 36451 1
16 . 1 . 1 5 5 TRP HA H 1 4.646 0.002 . 1 . . . . A 5 TRP HA . 36451 1
17 . 1 . 1 5 5 TRP HB2 H 1 3.337 0.000 . 1 . . . . A 5 TRP HB2 . 36451 1
18 . 1 . 1 5 5 TRP HB3 H 1 3.251 0.002 . 1 . . . . A 5 TRP HB3 . 36451 1
19 . 1 . 1 5 5 TRP HD1 H 1 7.247 0.002 . 1 . . . . A 5 TRP HD1 . 36451 1
20 . 1 . 1 5 5 TRP HE3 H 1 7.613 0.007 . 1 . . . . A 5 TRP HE3 . 36451 1
21 . 1 . 1 5 5 TRP HZ2 H 1 7.499 0.004 . 1 . . . . A 5 TRP HZ2 . 36451 1
22 . 1 . 1 5 5 TRP HZ3 H 1 6.952 0.014 . 1 . . . . A 5 TRP HZ3 . 36451 1
23 . 1 . 1 5 5 TRP HH2 H 1 7.166 0.001 . 1 . . . . A 5 TRP HH2 . 36451 1
24 . 1 . 1 6 6 GLY H H 1 8.303 0.020 . 1 . . . . A 6 GLY H . 36451 1
25 . 1 . 1 6 6 GLY HA2 H 1 3.810 0.000 . 2 . . . . A 6 GLY HA2 . 36451 1
26 . 1 . 1 6 6 GLY HA3 H 1 3.810 0.000 . 2 . . . . A 6 GLY HA3 . 36451 1
27 . 1 . 1 7 7 ARG H H 1 8.066 0.015 . 1 . . . . A 7 ARG H . 36451 1
28 . 1 . 1 7 7 ARG HA H 1 4.256 0.002 . 1 . . . . A 7 ARG HA . 36451 1
29 . 1 . 1 7 7 ARG HB2 H 1 1.807 0.004 . 1 . . . . A 7 ARG HB2 . 36451 1
30 . 1 . 1 7 7 ARG HB3 H 1 1.703 0.003 . 1 . . . . A 7 ARG HB3 . 36451 1
31 . 1 . 1 7 7 ARG HG2 H 1 1.580 0.003 . 2 . . . . A 7 ARG HG2 . 36451 1
32 . 1 . 1 7 7 ARG HG3 H 1 1.580 0.003 . 2 . . . . A 7 ARG HG3 . 36451 1
33 . 1 . 1 8 8 LYS H H 1 8.414 0.021 . 1 . . . . A 8 LYS H . 36451 1
34 . 1 . 1 8 8 LYS HA H 1 4.321 0.002 . 1 . . . . A 8 LYS HA . 36451 1
35 . 1 . 1 8 8 LYS HB2 H 1 1.807 0.004 . 1 . . . . A 8 LYS HB2 . 36451 1
36 . 1 . 1 8 8 LYS HB3 H 1 1.728 0.011 . 1 . . . . A 8 LYS HB3 . 36451 1
37 . 1 . 1 8 8 LYS HG2 H 1 1.427 0.003 . 2 . . . . A 8 LYS HG2 . 36451 1
38 . 1 . 1 8 8 LYS HG3 H 1 1.427 0.003 . 2 . . . . A 8 LYS HG3 . 36451 1
39 . 1 . 1 8 8 LYS HD2 H 1 1.659 0.006 . 2 . . . . A 8 LYS HD2 . 36451 1
40 . 1 . 1 8 8 LYS HD3 H 1 1.659 0.006 . 2 . . . . A 8 LYS HD3 . 36451 1
41 . 1 . 1 9 9 CYS H H 1 8.342 0.024 . 1 . . . . A 9 CYS H . 36451 1
42 . 1 . 1 9 9 CYS HA H 1 4.731 0.000 . 1 . . . . A 9 CYS HA . 36451 1
43 . 1 . 1 9 9 CYS HB2 H 1 2.873 0.002 . 2 . . . . A 9 CYS HB2 . 36451 1
44 . 1 . 1 9 9 CYS HB3 H 1 2.873 0.002 . 2 . . . . A 9 CYS HB3 . 36451 1
45 . 1 . 1 10 10 PRO HA H 1 4.344 0.002 . 1 . . . . A 10 PRO HA . 36451 1
46 . 1 . 1 10 10 PRO HB2 H 1 2.179 0.007 . 1 . . . . A 10 PRO HB2 . 36451 1
47 . 1 . 1 10 10 PRO HG2 H 1 1.753 0.004 . 2 . . . . A 10 PRO HG2 . 36451 1
48 . 1 . 1 10 10 PRO HG3 H 1 1.753 0.004 . 2 . . . . A 10 PRO HG3 . 36451 1
49 . 1 . 1 11 11 LEU H H 1 8.129 0.027 . 1 . . . . A 11 LEU H . 36451 1
50 . 1 . 1 11 11 LEU HA H 1 4.242 0.002 . 1 . . . . A 11 LEU HA . 36451 1
51 . 1 . 1 11 11 LEU HB2 H 1 1.513 0.009 . 2 . . . . A 11 LEU HB2 . 36451 1
52 . 1 . 1 11 11 LEU HB3 H 1 1.513 0.009 . 2 . . . . A 11 LEU HB3 . 36451 1
53 . 1 . 1 11 11 LEU HG H 1 1.417 0.004 . 1 . . . . A 11 LEU HG . 36451 1
54 . 1 . 1 11 11 LEU HD11 H 1 0.888 0.005 . 2 . . . . A 11 LEU HD11 . 36451 1
55 . 1 . 1 11 11 LEU HD12 H 1 0.888 0.005 . 2 . . . . A 11 LEU HD12 . 36451 1
56 . 1 . 1 11 11 LEU HD13 H 1 0.888 0.005 . 2 . . . . A 11 LEU HD13 . 36451 1
57 . 1 . 1 11 11 LEU HD21 H 1 0.888 0.005 . 2 . . . . A 11 LEU HD21 . 36451 1
58 . 1 . 1 11 11 LEU HD22 H 1 0.888 0.005 . 2 . . . . A 11 LEU HD22 . 36451 1
59 . 1 . 1 11 11 LEU HD23 H 1 0.888 0.005 . 2 . . . . A 11 LEU HD23 . 36451 1
60 . 1 . 1 12 12 PHE H H 1 8.122 0.021 . 1 . . . . A 12 PHE H . 36451 1
61 . 1 . 1 12 12 PHE HA H 1 4.627 0.005 . 1 . . . . A 12 PHE HA . 36451 1
62 . 1 . 1 12 12 PHE HB2 H 1 3.156 0.001 . 1 . . . . A 12 PHE HB2 . 36451 1
63 . 1 . 1 12 12 PHE HB3 H 1 3.026 0.003 . 1 . . . . A 12 PHE HB3 . 36451 1
64 . 1 . 1 12 12 PHE HD1 H 1 7.253 0.002 . 1 . . . . A 12 PHE HD1 . 36451 1
65 . 1 . 1 12 12 PHE HD2 H 1 7.253 0.002 . 1 . . . . A 12 PHE HD2 . 36451 1
66 . 1 . 1 12 12 PHE HE1 H 1 7.348 0.003 . 1 . . . . A 12 PHE HE1 . 36451 1
67 . 1 . 1 12 12 PHE HE2 H 1 7.348 0.003 . 1 . . . . A 12 PHE HE2 . 36451 1
68 . 1 . 1 12 12 PHE HZ H 1 7.303 0.002 . 1 . . . . A 12 PHE HZ . 36451 1
69 . 1 . 1 13 13 GLY H H 1 8.319 0.023 . 1 . . . . A 13 GLY H . 36451 1
70 . 1 . 1 13 13 GLY HA2 H 1 3.891 0.000 . 2 . . . . A 13 GLY HA2 . 36451 1
71 . 1 . 1 13 13 GLY HA3 H 1 3.891 0.000 . 2 . . . . A 13 GLY HA3 . 36451 1
72 . 1 . 1 14 14 LYS H H 1 8.192 0.015 . 1 . . . . A 14 LYS H . 36451 1
73 . 1 . 1 14 14 LYS HA H 1 4.300 0.002 . 1 . . . . A 14 LYS HA . 36451 1
74 . 1 . 1 14 14 LYS HB2 H 1 1.833 0.005 . 1 . . . . A 14 LYS HB2 . 36451 1
75 . 1 . 1 14 14 LYS HB3 H 1 1.738 0.004 . 1 . . . . A 14 LYS HB3 . 36451 1
76 . 1 . 1 14 14 LYS HG2 H 1 1.441 0.010 . 2 . . . . A 14 LYS HG2 . 36451 1
77 . 1 . 1 14 14 LYS HG3 H 1 1.441 0.010 . 2 . . . . A 14 LYS HG3 . 36451 1
78 . 1 . 1 15 15 ASN H H 1 8.479 0.016 . 1 . . . . A 15 ASN H . 36451 1
79 . 1 . 1 15 15 ASN HA H 1 4.671 0.000 . 1 . . . . A 15 ASN HA . 36451 1
80 . 1 . 1 15 15 ASN HB2 H 1 2.838 0.000 . 1 . . . . A 15 ASN HB2 . 36451 1
81 . 1 . 1 15 15 ASN HB3 H 1 2.763 0.005 . 1 . . . . A 15 ASN HB3 . 36451 1
82 . 1 . 1 16 16 LYS H H 1 8.284 0.019 . 1 . . . . A 16 LYS H . 36451 1
83 . 1 . 1 16 16 LYS HA H 1 4.335 0.002 . 1 . . . . A 16 LYS HA . 36451 1
84 . 1 . 1 16 16 LYS HB2 H 1 1.886 0.013 . 1 . . . . A 16 LYS HB2 . 36451 1
85 . 1 . 1 16 16 LYS HB3 H 1 1.768 0.008 . 1 . . . . A 16 LYS HB3 . 36451 1
86 . 1 . 1 16 16 LYS HG2 H 1 1.441 0.010 . 2 . . . . A 16 LYS HG2 . 36451 1
87 . 1 . 1 16 16 LYS HG3 H 1 1.441 0.010 . 2 . . . . A 16 LYS HG3 . 36451 1
88 . 1 . 1 16 16 LYS HD2 H 1 1.691 0.008 . 2 . . . . A 16 LYS HD2 . 36451 1
89 . 1 . 1 16 16 LYS HD3 H 1 1.691 0.008 . 2 . . . . A 16 LYS HD3 . 36451 1
90 . 1 . 1 17 17 SER H H 1 8.375 0.020 . 1 . . . . A 17 SER H . 36451 1
91 . 1 . 1 17 17 SER HA H 1 4.423 0.002 . 1 . . . . A 17 SER HA . 36451 1
92 . 1 . 1 17 17 SER HB2 H 1 3.882 0.002 . 2 . . . . A 17 SER HB2 . 36451 1
93 . 1 . 1 17 17 SER HB3 H 1 3.882 0.002 . 2 . . . . A 17 SER HB3 . 36451 1
94 . 1 . 1 18 18 ARG H H 1 7.987 0.008 . 1 . . . . A 18 ARG H . 36451 1
95 . 1 . 1 18 18 ARG HA H 1 4.172 0.004 . 1 . . . . A 18 ARG HA . 36451 1
96 . 1 . 1 18 18 ARG HB2 H 1 1.860 0.004 . 1 . . . . A 18 ARG HB2 . 36451 1
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