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 30712
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0
_Assigned_chem_shift_list.Chem_shift_15N_err 0
_Assigned_chem_shift_list.Chem_shift_31P_err 0
_Assigned_chem_shift_list.Chem_shift_2H_err 0
_Assigned_chem_shift_list.Chem_shift_19F_err 0
_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' . . . 30712 1
2 '2D 1H-1H NOESY' . . . 30712 1
3 '2D 1H-1H TOCSY' . . . 30712 1
4 '2D 1H-1H NOESY' . . . 30712 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 PHE H H 1 8.412 0.005 . 1 . . . . A 2 PHE H . 30712 1
2 . 1 . 1 2 2 PHE HA H 1 4.808 0.025 . 1 . . . . A 2 PHE HA . 30712 1
3 . 1 . 1 2 2 PHE HB2 H 1 2.958 0.003 . 2 . . . . A 2 PHE HB2 . 30712 1
4 . 1 . 1 2 2 PHE HB3 H 1 3.034 0.001 . 2 . . . . A 2 PHE HB3 . 30712 1
5 . 1 . 1 2 2 PHE HD1 H 1 7.167 0.008 . 3 . . . . A 2 PHE HD1 . 30712 1
6 . 1 . 1 2 2 PHE HD2 H 1 7.167 0.008 . 3 . . . . A 2 PHE HD2 . 30712 1
7 . 1 . 1 2 2 PHE HE1 H 1 7.310 0.004 . 3 . . . . A 2 PHE HE1 . 30712 1
8 . 1 . 1 2 2 PHE HE2 H 1 7.310 0.004 . 3 . . . . A 2 PHE HE2 . 30712 1
9 . 1 . 1 2 2 PHE HZ H 1 7.274 0.001 . 1 . . . . A 2 PHE HZ . 30712 1
10 . 1 . 1 3 3 CYS H H 1 8.405 0.001 . 1 . . . . A 3 CYS H . 30712 1
11 . 1 . 1 3 3 CYS HB2 H 1 2.699 0.003 . 2 . . . . A 3 CYS HB2 . 30712 1
12 . 1 . 1 3 3 CYS HB3 H 1 3.041 0.012 . 2 . . . . A 3 CYS HB3 . 30712 1
13 . 1 . 1 4 4 VAL H H 1 8.521 0.006 . 1 . . . . A 4 VAL H . 30712 1
14 . 1 . 1 4 4 VAL HA H 1 4.528 0.012 . 1 . . . . A 4 VAL HA . 30712 1
15 . 1 . 1 4 4 VAL HB H 1 2.191 0.004 . 1 . . . . A 4 VAL HB . 30712 1
16 . 1 . 1 4 4 VAL HG11 H 1 0.925 0.004 . 1 . . . . A 4 VAL HG11 . 30712 1
17 . 1 . 1 4 4 VAL HG12 H 1 0.925 0.004 . 1 . . . . A 4 VAL HG12 . 30712 1
18 . 1 . 1 4 4 VAL HG13 H 1 0.925 0.004 . 1 . . . . A 4 VAL HG13 . 30712 1
19 . 1 . 1 4 4 VAL HG21 H 1 0.860 0.005 . 1 . . . . A 4 VAL HG21 . 30712 1
20 . 1 . 1 4 4 VAL HG22 H 1 0.860 0.005 . 1 . . . . A 4 VAL HG22 . 30712 1
21 . 1 . 1 4 4 VAL HG23 H 1 0.860 0.005 . 1 . . . . A 4 VAL HG23 . 30712 1
22 . 1 . 1 5 5 GLN H H 1 9.216 0.003 . 1 . . . . A 5 GLN H . 30712 1
23 . 1 . 1 5 5 GLN HA H 1 3.951 0.003 . 1 . . . . A 5 GLN HA . 30712 1
24 . 1 . 1 5 5 GLN HB2 H 1 2.018 0.006 . 2 . . . . A 5 GLN HB2 . 30712 1
25 . 1 . 1 5 5 GLN HB3 H 1 2.018 0.006 . 2 . . . . A 5 GLN HB3 . 30712 1
26 . 1 . 1 5 5 GLN HG2 H 1 2.300 0.002 . 2 . . . . A 5 GLN HG2 . 30712 1
27 . 1 . 1 5 5 GLN HG3 H 1 2.360 0.017 . 2 . . . . A 5 GLN HG3 . 30712 1
28 . 1 . 1 6 6 GLY H H 1 8.657 0.001 . 1 . . . . A 6 GLY H . 30712 1
29 . 1 . 1 6 6 GLY HA2 H 1 3.680 0.001 . 2 . . . . A 6 GLY HA2 . 30712 1
30 . 1 . 1 6 6 GLY HA3 H 1 4.069 0.021 . 2 . . . . A 6 GLY HA3 . 30712 1
31 . 1 . 1 7 7 DBB H H 1 7.604 0.004 . 1 . . . . A 7 DBB H . 30712 1
32 . 1 . 1 7 7 DBB HA H 1 4.180 0.007 . 1 . . . . A 7 DBB HA . 30712 1
33 . 1 . 1 7 7 DBB HB2 H 1 3.710 0.003 . 1 . . . . A 7 DBB HB2 . 30712 1
34 . 1 . 1 7 7 DBB HG1 H 1 1.353 0.002 . 1 . . . . A 7 DBB HG1 . 30712 1
35 . 1 . 1 7 7 DBB HG2 H 1 1.353 0.002 . 1 . . . . A 7 DBB HG2 . 30712 1
36 . 1 . 1 7 7 DBB HG3 H 1 1.353 0.002 . 1 . . . . A 7 DBB HG3 . 30712 1
37 . 1 . 1 8 8 ALA H H 1 8.060 0.002 . 1 . . . . A 8 ALA H . 30712 1
38 . 1 . 1 8 8 ALA HA H 1 4.278 0.002 . 1 . . . . A 8 ALA HA . 30712 1
39 . 1 . 1 8 8 ALA HB1 H 1 1.420 0.008 . 1 . . . . A 8 ALA HB1 . 30712 1
40 . 1 . 1 8 8 ALA HB2 H 1 1.420 0.008 . 1 . . . . A 8 ALA HB2 . 30712 1
41 . 1 . 1 8 8 ALA HB3 H 1 1.420 0.008 . 1 . . . . A 8 ALA HB3 . 30712 1
42 . 1 . 1 9 9 ASN H H 1 8.604 0.004 . 1 . . . . A 9 ASN H . 30712 1
43 . 1 . 1 9 9 ASN HA H 1 4.679 0.024 . 1 . . . . A 9 ASN HA . 30712 1
44 . 1 . 1 10 10 ARG H H 1 8.344 0.004 . 1 . . . . A 10 ARG H . 30712 1
45 . 1 . 1 10 10 ARG HA H 1 4.393 0.006 . 1 . . . . A 10 ARG HA . 30712 1
46 . 1 . 1 10 10 ARG HB2 H 1 1.721 0.027 . 2 . . . . A 10 ARG HB2 . 30712 1
47 . 1 . 1 10 10 ARG HB3 H 1 1.743 0.026 . 2 . . . . A 10 ARG HB3 . 30712 1
48 . 1 . 1 10 10 ARG HG2 H 1 1.545 0.009 . 2 . . . . A 10 ARG HG2 . 30712 1
49 . 1 . 1 10 10 ARG HG3 H 1 1.545 0.009 . 2 . . . . A 10 ARG HG3 . 30712 1
50 . 1 . 1 10 10 ARG HD2 H 1 3.128 0.002 . 2 . . . . A 10 ARG HD2 . 30712 1
51 . 1 . 1 10 10 ARG HD3 H 1 3.128 0.002 . 2 . . . . A 10 ARG HD3 . 30712 1
52 . 1 . 1 11 11 PHE H H 1 8.586 0.001 . 1 . . . . A 11 PHE H . 30712 1
53 . 1 . 1 11 11 PHE HA H 1 4.322 0.000 . 1 . . . . A 11 PHE HA . 30712 1
54 . 1 . 1 11 11 PHE HB2 H 1 2.961 0.004 . 2 . . . . A 11 PHE HB2 . 30712 1
55 . 1 . 1 11 11 PHE HB3 H 1 3.043 0.010 . 2 . . . . A 11 PHE HB3 . 30712 1
56 . 1 . 1 11 11 PHE HD1 H 1 7.199 0.008 . 3 . . . . A 11 PHE HD1 . 30712 1
57 . 1 . 1 11 11 PHE HD2 H 1 7.199 0.008 . 3 . . . . A 11 PHE HD2 . 30712 1
58 . 1 . 1 11 11 PHE HE1 H 1 7.319 0.008 . 3 . . . . A 11 PHE HE1 . 30712 1
59 . 1 . 1 11 11 PHE HE2 H 1 7.319 0.008 . 3 . . . . A 11 PHE HE2 . 30712 1
60 . 1 . 1 11 11 PHE HZ H 1 7.276 0.013 . 1 . . . . A 11 PHE HZ . 30712 1
61 . 1 . 1 12 12 DBB H H 1 8.571 0.001 . 1 . . . . A 12 DBB H . 30712 1
62 . 1 . 1 12 12 DBB HA H 1 4.302 0.009 . 1 . . . . A 12 DBB HA . 30712 1
63 . 1 . 1 12 12 DBB HB2 H 1 4.302 0.009 . 1 . . . . A 12 DBB HB2 . 30712 1
64 . 1 . 1 12 12 DBB HG1 H 1 4.302 0.009 . 1 . . . . A 12 DBB HG1 . 30712 1
65 . 1 . 1 12 12 DBB HG2 H 1 4.302 0.009 . 1 . . . . A 12 DBB HG2 . 30712 1
66 . 1 . 1 12 12 DBB HG3 H 1 4.302 0.009 . 1 . . . . A 12 DBB HG3 . 30712 1
67 . 1 . 1 13 13 ILE H H 1 7.760 0.002 . 1 . . . . A 13 ILE H . 30712 1
68 . 1 . 1 13 13 ILE HA H 1 4.151 0.005 . 1 . . . . A 13 ILE HA . 30712 1
69 . 1 . 1 13 13 ILE HB H 1 1.763 0.004 . 1 . . . . A 13 ILE HB . 30712 1
70 . 1 . 1 13 13 ILE HG12 H 1 1.028 0.003 . 2 . . . . A 13 ILE HG12 . 30712 1
71 . 1 . 1 13 13 ILE HG13 H 1 1.271 0.002 . 2 . . . . A 13 ILE HG13 . 30712 1
72 . 1 . 1 13 13 ILE HG21 H 1 0.835 0.003 . 1 . . . . A 13 ILE HG21 . 30712 1
73 . 1 . 1 13 13 ILE HG22 H 1 0.835 0.003 . 1 . . . . A 13 ILE HG22 . 30712 1
74 . 1 . 1 13 13 ILE HG23 H 1 0.835 0.003 . 1 . . . . A 13 ILE HG23 . 30712 1
75 . 1 . 1 14 14 ASN H H 1 8.427 0.002 . 1 . . . . A 14 ASN H . 30712 1
76 . 1 . 1 14 14 ASN HA H 1 4.614 0.017 . 1 . . . . A 14 ASN HA . 30712 1
77 . 1 . 1 15 15 VAL H H 1 7.829 0.004 . 1 . . . . A 15 VAL H . 30712 1
78 . 1 . 1 15 15 VAL HA H 1 4.095 0.020 . 1 . . . . A 15 VAL HA . 30712 1
79 . 1 . 1 15 15 VAL HB H 1 2.147 0.004 . 1 . . . . A 15 VAL HB . 30712 1
80 . 1 . 1 15 15 VAL HG11 H 1 0.909 0.013 . 1 . . . . A 15 VAL HG11 . 30712 1
81 . 1 . 1 15 15 VAL HG12 H 1 0.909 0.013 . 1 . . . . A 15 VAL HG12 . 30712 1
82 . 1 . 1 15 15 VAL HG13 H 1 0.909 0.013 . 1 . . . . A 15 VAL HG13 . 30712 1
83 . 1 . 1 15 15 VAL HG21 H 1 0.874 0.026 . 1 . . . . A 15 VAL HG21 . 30712 1
84 . 1 . 1 15 15 VAL HG22 H 1 0.874 0.026 . 1 . . . . A 15 VAL HG22 . 30712 1
85 . 1 . 1 15 15 VAL HG23 H 1 0.874 0.026 . 1 . . . . A 15 VAL HG23 . 30712 1
86 . 1 . 1 16 16 CYS H H 1 8.181 0.003 . 1 . . . . A 16 CYS H . 30712 1
87 . 1 . 1 16 16 CYS HA H 1 4.201 0.014 . 1 . . . . A 16 CYS HA . 30712 1
88 . 1 . 1 16 16 CYS HB2 H 1 2.569 0.003 . 2 . . . . A 16 CYS HB2 . 30712 1
89 . 1 . 1 16 16 CYS HB3 H 1 3.028 0.003 . 2 . . . . A 16 CYS HB3 . 30712 1
stop_
save_