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 26796
_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' . . . 26796 1
2 '2D 1H-1H TOCSY' . . . 26796 1
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loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
4 $CARA . . 26796 1
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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 ALA HB1 H 1 1.295 0.001 . . . . . . 1 ALA QB . 26796 1
2 . 1 1 1 1 ALA HB2 H 1 1.295 0.001 . . . . . . 1 ALA QB . 26796 1
3 . 1 1 1 1 ALA HB3 H 1 1.295 0.001 . . . . . . 1 ALA QB . 26796 1
4 . 1 1 1 1 ALA H H 1 7.906 0.000 . . . . . . 1 ALA HN . 26796 1
5 . 1 1 1 1 ALA HA H 1 3.891 0.000 . . . . . . 1 ALA HA . 26796 1
6 . 1 1 2 2 GLY H H 1 8.477 0.001 . . . . . . 2 GLY HN . 26796 1
7 . 1 1 2 2 GLY HA2 H 1 3.758 0.002 . . . . . . 2 GLY HA1 . 26796 1
8 . 1 1 3 3 CYS H H 1 8.283 0.000 . . . . . . 3 CYS HN . 26796 1
9 . 1 1 3 3 CYS HA H 1 4.407 0.002 . . . . . . 3 CYS HA . 26796 1
10 . 1 1 3 3 CYS HB2 H 1 2.878 0.004 . . . . . . 3 CYS HB2 . 26796 1
11 . 1 1 3 3 CYS HB3 H 1 2.758 0.004 . . . . . . 3 CYS HB3 . 26796 1
12 . 1 1 4 4 LYS H H 1 8.401 0.000 . . . . . . 4 LYS HN . 26796 1
13 . 1 1 4 4 LYS HA H 1 4.253 0.002 . . . . . . 4 LYS HA . 26796 1
14 . 1 1 4 4 LYS HB2 H 1 1.426 0.002 . . . . . . 4 LYS HB2 . 26796 1
15 . 1 1 4 4 LYS HG2 H 1 1.125 0.002 . . . . . . 4 LYS HG2 . 26796 1
16 . 1 1 4 4 LYS HG3 H 1 1.026 0.004 . . . . . . 4 LYS HG3 . 26796 1
17 . 1 1 4 4 LYS HD2 H 1 1.298 0.004 . . . . . . 4 LYS HD2 . 26796 1
18 . 1 1 4 4 LYS HE2 H 1 2.622 0.003 . . . . . . 4 LYS HE2 . 26796 1
19 . 1 1 4 4 LYS HZ1 H 1 7.273 0.000 . . . . . . 4 LYS HZ2 . 26796 1
20 . 1 1 4 4 LYS HZ2 H 1 7.273 0.000 . . . . . . 4 LYS HZ2 . 26796 1
21 . 1 1 4 4 LYS HZ3 H 1 7.273 0.000 . . . . . . 4 LYS HZ2 . 26796 1
22 . 1 1 5 5 ASN H H 1 8.172 0.002 . . . . . . 5 ASN HN . 26796 1
23 . 1 1 5 5 ASN HA H 1 4.509 0.001 . . . . . . 5 ASN HA . 26796 1
24 . 1 1 5 5 ASN HB2 H 1 2.427 0.002 . . . . . . 5 ASN HB2 . 26796 1
25 . 1 1 5 5 ASN HD21 H 1 6.728 0.005 . . . . . . 5 ASN HD21 . 26796 1
26 . 1 1 5 5 ASN HD22 H 1 7.334 0.002 . . . . . . 5 ASN HD22 . 26796 1
27 . 1 1 6 6 PHE H H 1 8.042 0.002 . . . . . . 6 PHE HN . 26796 1
28 . 1 1 6 6 PHE HA H 1 4.512 0.000 . . . . . . 6 PHE HA . 26796 1
29 . 1 1 6 6 PHE HB2 H 1 2.715 0.002 . . . . . . 6 PHE HB2 . 26796 1
30 . 1 1 6 6 PHE HB3 H 1 2.577 0.001 . . . . . . 6 PHE HB3 . 26796 1
31 . 1 1 6 6 PHE HD1 H 1 6.762 0.002 . . . . . . 6 PHE QD . 26796 1
32 . 1 1 6 6 PHE HD2 H 1 6.762 0.002 . . . . . . 6 PHE QD . 26796 1
33 . 1 1 6 6 PHE HE1 H 1 6.985 0.003 . . . . . . 6 PHE QE . 26796 1
34 . 1 1 6 6 PHE HE2 H 1 6.985 0.003 . . . . . . 6 PHE QE . 26796 1
35 . 1 1 6 6 PHE HZ H 1 6.952 0.000 . . . . . . 6 PHE HZ . 26796 1
36 . 1 1 7 7 PHE H H 1 8.057 0.003 . . . . . . 7 PHE HN . 26796 1
37 . 1 1 7 7 PHE HA H 1 4.341 0.001 . . . . . . 7 PHE HA . 26796 1
38 . 1 1 7 7 PHE HB2 H 1 2.729 0.002 . . . . . . 7 PHE HB2 . 26796 1
39 . 1 1 7 7 PHE HD1 H 1 6.981 0.003 . . . . . . 7 PHE QD . 26796 1
40 . 1 1 7 7 PHE HD2 H 1 6.981 0.003 . . . . . . 7 PHE QD . 26796 1
41 . 1 1 7 7 PHE HE1 H 1 7.117 0.002 . . . . . . 7 PHE QE . 26796 1
42 . 1 1 7 7 PHE HE2 H 1 7.117 0.002 . . . . . . 7 PHE QE . 26796 1
43 . 1 1 7 7 PHE HZ H 1 7.072 0.001 . . . . . . 7 PHE HZ . 26796 1
44 . 1 1 8 8 DTR HA H 1 4.203 0.001 . . . . . . 8 DTR HA . 26796 1
45 . 1 1 8 8 DTR HB2 H 1 2.827 0.005 . . . . . . 8 DTR HB2 . 26796 1
46 . 1 1 8 8 DTR HB3 H 1 2.741 0.002 . . . . . . 8 DTR HB3 . 26796 1
47 . 1 1 8 8 DTR HD1 H 1 6.881 0.001 . . . . . . 8 DTR HD1 . 26796 1
48 . 1 1 8 8 DTR HE1 H 1 9.981 0.001 . . . . . . 8 DTR HE1 . 26796 1
49 . 1 1 8 8 DTR HE3 H 1 7.345 0.002 . . . . . . 8 DTR HE3 . 26796 1
50 . 1 1 8 8 DTR HZ2 H 1 7.239 0.000 . . . . . . 8 DTR HZ2 . 26796 1
51 . 1 1 8 8 DTR HZ3 H 1 6.907 0.002 . . . . . . 8 DTR HZ3 . 26796 1
52 . 1 1 8 8 DTR HH2 H 1 6.993 0.002 . . . . . . 8 DTR HH2 . 26796 1
53 . 1 1 8 8 DTR HN H 1 8.277 0.001 . . . . . . 8 DTR HN . 26796 1
54 . 1 1 9 9 LYS H H 1 8.056 0.001 . . . . . . 9 LYS HN . 26796 1
55 . 1 1 9 9 LYS HA H 1 3.866 0.002 . . . . . . 9 LYS HA . 26796 1
56 . 1 1 9 9 LYS HB2 H 1 1.328 0.003 . . . . . . 9 LYS HB2 . 26796 1
57 . 1 1 9 9 LYS HB3 H 1 0.981 0.003 . . . . . . 9 LYS HB3 . 26796 1
58 . 1 1 9 9 LYS HG2 H 1 0.299 0.004 . . . . . . 9 LYS HG2 . 26796 1
59 . 1 1 9 9 LYS HG3 H 1 0.140 0.002 . . . . . . 9 LYS HG3 . 26796 1
60 . 1 1 9 9 LYS HD2 H 1 1.076 0.004 . . . . . . 9 LYS HD2 . 26796 1
61 . 1 1 9 9 LYS HE2 H 1 2.439 0.002 . . . . . . 9 LYS HE2 . 26796 1
62 . 1 1 9 9 LYS HE3 H 1 2.375 0.002 . . . . . . 9 LYS HE3 . 26796 1
63 . 1 1 9 9 LYS HZ1 H 1 7.233 0.001 . . . . . . 9 LYS HZ2 . 26796 1
64 . 1 1 9 9 LYS HZ2 H 1 7.233 0.001 . . . . . . 9 LYS HZ2 . 26796 1
65 . 1 1 9 9 LYS HZ3 H 1 7.233 0.001 . . . . . . 9 LYS HZ2 . 26796 1
66 . 1 1 10 10 THR H H 1 7.789 0.001 . . . . . . 10 THR HN . 26796 1
67 . 1 1 10 10 THR HA H 1 4.100 0.002 . . . . . . 10 THR HA . 26796 1
68 . 1 1 10 10 THR HB H 1 3.913 0.003 . . . . . . 10 THR HB . 26796 1
69 . 1 1 10 10 THR HG21 H 1 0.897 0.002 . . . . . . 10 THR QG2 . 26796 1
70 . 1 1 10 10 THR HG22 H 1 0.897 0.002 . . . . . . 10 THR QG2 . 26796 1
71 . 1 1 10 10 THR HG23 H 1 0.897 0.002 . . . . . . 10 THR QG2 . 26796 1
72 . 1 1 11 11 WFP HA H 1 4.587 0.001 . . . . . . 11 WFP HA . 26796 1
73 . 1 1 11 11 WFP HB2 H 1 2.717 0.002 . . . . . . 11 WFP HB2 . 26796 1
74 . 1 1 11 11 WFP HB3 H 1 2.640 0.049 . . . . . . 11 WFP HB3 . 26796 1
75 . 1 1 11 11 WFP HZ H 1 6.528 0.001 . . . . . . 11 WFP HZ . 26796 1
76 . 1 1 11 11 WFP HN H 1 8.354 0.001 . . . . . . 11 WFP HN . 26796 1
77 . 1 1 11 11 WFP HD1 H 1 6.415 0.002 . . . . . . 11 WFP QD . 26796 1
78 . 1 1 12 12 THR H H 1 8.113 0.002 . . . . . . 12 THR HN . 26796 1
79 . 1 1 12 12 THR HA H 1 4.169 0.002 . . . . . . 12 THR HA . 26796 1
80 . 1 1 12 12 THR HB H 1 3.907 0.007 . . . . . . 12 THR HB . 26796 1
81 . 1 1 12 12 THR HG21 H 1 0.901 0.002 . . . . . . 12 THR QG2 . 26796 1
82 . 1 1 12 12 THR HG22 H 1 0.901 0.002 . . . . . . 12 THR QG2 . 26796 1
83 . 1 1 12 12 THR HG23 H 1 0.901 0.002 . . . . . . 12 THR QG2 . 26796 1
84 . 1 1 13 13 SER H H 1 8.145 0.001 . . . . . . 13 SER HN . 26796 1
85 . 1 1 13 13 SER HA H 1 4.259 0.000 . . . . . . 13 SER HA . 26796 1
86 . 1 1 13 13 SER HB2 H 1 3.653 0.002 . . . . . . 13 SER HB2 . 26796 1
87 . 1 1 14 14 CYS H H 1 8.105 0.001 . . . . . . 14 CYS HN . 26796 1
88 . 1 1 14 14 CYS HA H 1 4.310 0.000 . . . . . . 14 CYS HA . 26796 1
89 . 1 1 14 14 CYS HB2 H 1 2.989 0.003 . . . . . . 14 CYS HB2 . 26796 1
90 . 1 1 14 14 CYS HB3 H 1 2.856 0.001 . . . . . . 14 CYS HB3 . 26796 1
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