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 26799
_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' . . . 26799 1
2 '2D 1H-1H TOCSY' . . . 26799 1
stop_
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 . . 26799 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 1.293 0.007 . . . . . . 1 ALA QB . 26799 1
2 . 1 1 1 1 ALA HB2 H 1 1.293 0.007 . . . . . . 1 ALA QB . 26799 1
3 . 1 1 1 1 ALA HB3 H 1 1.293 0.007 . . . . . . 1 ALA QB . 26799 1
4 . 1 1 1 1 ALA H H 1 7.907 0.002 . . . . . . 1 ALA HN . 26799 1
5 . 1 1 1 1 ALA HA H 1 3.891 0.002 . . . . . . 1 ALA HA . 26799 1
6 . 1 1 2 2 GLY H H 1 8.481 0.000 . . . . . . 2 GLY HN . 26799 1
7 . 1 1 2 2 GLY HA2 H 1 3.747 0.004 . . . . . . 2 GLY QA . 26799 1
8 . 1 1 2 2 GLY HA3 H 1 3.747 0.004 . . . . . . 2 GLY QA . 26799 1
9 . 1 1 3 3 CYS H H 1 8.265 0.002 . . . . . . 3 CYS HN . 26799 1
10 . 1 1 3 3 CYS HA H 1 4.370 0.000 . . . . . . 3 CYS HA . 26799 1
11 . 1 1 3 3 CYS HB2 H 1 2.906 0.005 . . . . . . 3 CYS HB2 . 26799 1
12 . 1 1 3 3 CYS HB3 H 1 2.730 0.002 . . . . . . 3 CYS HB3 . 26799 1
13 . 1 1 4 4 LYS H H 1 8.366 0.048 . . . . . . 4 LYS HN . 26799 1
14 . 1 1 4 4 LYS HA H 1 4.423 0.003 . . . . . . 4 LYS HA . 26799 1
15 . 1 1 4 4 LYS HB2 H 1 1.381 0.004 . . . . . . 4 LYS HB2 . 26799 1
16 . 1 1 4 4 LYS HG2 H 1 1.122 0.000 . . . . . . 4 LYS HG2 . 26799 1
17 . 1 1 4 4 LYS HG3 H 1 1.018 0.003 . . . . . . 4 LYS HG3 . 26799 1
18 . 1 1 4 4 LYS HD2 H 1 1.226 0.000 . . . . . . 4 LYS HD2 . 26799 1
19 . 1 1 4 4 LYS HE2 H 1 2.593 0.000 . . . . . . 4 LYS HE2 . 26799 1
20 . 1 1 4 4 LYS HZ1 H 1 7.255 0.002 . . . . . . 4 LYS HZ2 . 26799 1
21 . 1 1 4 4 LYS HZ2 H 1 7.255 0.002 . . . . . . 4 LYS HZ2 . 26799 1
22 . 1 1 4 4 LYS HZ3 H 1 7.255 0.002 . . . . . . 4 LYS HZ2 . 26799 1
23 . 1 1 5 5 ASN H H 1 8.274 0.001 . . . . . . 5 ASN HN . 26799 1
24 . 1 1 5 5 ASN HA H 1 4.577 0.003 . . . . . . 5 ASN HA . 26799 1
25 . 1 1 5 5 ASN HB2 H 1 2.426 0.055 . . . . . . 5 ASN HB2 . 26799 1
26 . 1 1 5 5 ASN HB3 H 1 2.301 0.001 . . . . . . 5 ASN HB3 . 26799 1
27 . 1 1 5 5 ASN HD21 H 1 6.764 0.003 . . . . . . 5 ASN HD21 . 26799 1
28 . 1 1 5 5 ASN HD22 H 1 7.339 0.003 . . . . . . 5 ASN HD22 . 26799 1
29 . 1 1 6 6 WFP HA H 1 4.641 0.001 . . . . . . 6 WFP HA . 26799 1
30 . 1 1 6 6 WFP HB2 H 1 2.700 0.003 . . . . . . 6 WFP HB2 . 26799 1
31 . 1 1 6 6 WFP HB3 H 1 2.552 0.004 . . . . . . 6 WFP HB3 . 26799 1
32 . 1 1 6 6 WFP HZ H 1 6.472 0.001 . . . . . . 6 WFP HZ . 26799 1
33 . 1 1 6 6 WFP HN H 1 8.158 0.001 . . . . . . 6 WFP HN . 26799 1
34 . 1 1 6 6 WFP HD1 H 1 6.358 0.002 . . . . . . 6 WFP QD . 26799 1
35 . 1 1 7 7 X HA H 1 4.351 0.002 . . . . . . 7 MSA HA . 26799 1
36 . 1 1 7 7 X HB2 H 1 2.796 0.005 . . . . . . 7 MSA HB2 . 26799 1
37 . 1 1 7 7 X HN H 1 8.207 0.001 . . . . . . 7 MSA HN . 26799 1
38 . 1 1 7 7 X QE H 1 6.657 0.001 . . . . . . 7 MSA QE . 26799 1
39 . 1 1 7 7 X QF H 1 2.029 0.000 . . . . . . 7 MSA QF . 26799 1
40 . 1 1 7 7 X QH H 1 1.930 0.003 . . . . . . 7 MSA QH . 26799 1
41 . 1 1 7 7 X QQF H 1 2.021 0.004 . . . . . . 7 MSA QQF . 26799 1
42 . 1 1 8 8 DTR HA H 1 4.271 0.003 . . . . . . 8 DTR HA . 26799 1
43 . 1 1 8 8 DTR HB2 H 1 2.825 0.003 . . . . . . 8 DTR HB2 . 26799 1
44 . 1 1 8 8 DTR HD1 H 1 6.850 0.002 . . . . . . 8 DTR HD1 . 26799 1
45 . 1 1 8 8 DTR HE1 H 1 10.000 0.001 . . . . . . 8 DTR HE1 . 26799 1
46 . 1 1 8 8 DTR HE3 H 1 7.251 0.003 . . . . . . 8 DTR HE3 . 26799 1
47 . 1 1 8 8 DTR HZ2 H 1 7.365 0.001 . . . . . . 8 DTR HZ2 . 26799 1
48 . 1 1 8 8 DTR HZ3 H 1 7.001 0.002 . . . . . . 8 DTR HZ3 . 26799 1
49 . 1 1 8 8 DTR HH2 H 1 6.925 0.000 . . . . . . 8 DTR HH2 . 26799 1
50 . 1 1 8 8 DTR HN H 1 8.311 0.053 . . . . . . 8 DTR HN . 26799 1
51 . 1 1 9 9 LYS H H 1 8.105 0.002 . . . . . . 9 LYS HN . 26799 1
52 . 1 1 9 9 LYS HA H 1 3.904 0.004 . . . . . . 9 LYS HA . 26799 1
53 . 1 1 9 9 LYS HB2 H 1 1.260 0.182 . . . . . . 9 LYS HB2 . 26799 1
54 . 1 1 9 9 LYS HB3 H 1 0.964 0.013 . . . . . . 9 LYS HB3 . 26799 1
55 . 1 1 9 9 LYS HG2 H 1 0.279 0.007 . . . . . . 9 LYS HG2 . 26799 1
56 . 1 1 9 9 LYS HG3 H 1 0.066 0.004 . . . . . . 9 LYS HG3 . 26799 1
57 . 1 1 9 9 LYS HD2 H 1 1.383 0.000 . . . . . . 9 LYS HD2 . 26799 1
58 . 1 1 9 9 LYS HD3 H 1 1.061 0.004 . . . . . . 9 LYS HD3 . 26799 1
59 . 1 1 9 9 LYS HE2 H 1 2.449 0.000 . . . . . . 9 LYS HE2 . 26799 1
60 . 1 1 9 9 LYS HE3 H 1 2.360 0.000 . . . . . . 9 LYS HE3 . 26799 1
61 . 1 1 9 9 LYS HZ1 H 1 7.229 0.002 . . . . . . 9 LYS HZ2 . 26799 1
62 . 1 1 9 9 LYS HZ2 H 1 7.229 0.002 . . . . . . 9 LYS HZ2 . 26799 1
63 . 1 1 9 9 LYS HZ3 H 1 7.229 0.002 . . . . . . 9 LYS HZ2 . 26799 1
64 . 1 1 10 10 THR H H 1 7.925 0.001 . . . . . . 10 THR HN . 26799 1
65 . 1 1 10 10 THR HA H 1 4.191 0.095 . . . . . . 10 THR HA . 26799 1
66 . 1 1 10 10 THR HB H 1 3.990 0.010 . . . . . . 10 THR HB . 26799 1
67 . 1 1 10 10 THR HG21 H 1 0.927 0.005 . . . . . . 10 THR QG2 . 26799 1
68 . 1 1 10 10 THR HG22 H 1 0.927 0.005 . . . . . . 10 THR QG2 . 26799 1
69 . 1 1 10 10 THR HG23 H 1 0.927 0.005 . . . . . . 10 THR QG2 . 26799 1
70 . 1 1 11 11 WFP HA H 1 4.966 0.000 . . . . . . 11 WFP HA . 26799 1
71 . 1 1 11 11 WFP HB2 H 1 2.551 0.004 . . . . . . 11 WFP HB2 . 26799 1
72 . 1 1 11 11 WFP HZ H 1 6.505 0.000 . . . . . . 11 WFP HZ . 26799 1
73 . 1 1 11 11 WFP HN H 1 8.401 0.001 . . . . . . 11 WFP HN . 26799 1
74 . 1 1 11 11 WFP HD1 H 1 6.408 0.003 . . . . . . 11 WFP QD . 26799 1
75 . 1 1 12 12 THR H H 1 8.281 0.001 . . . . . . 12 THR HN . 26799 1
76 . 1 1 12 12 THR HA H 1 4.203 0.103 . . . . . . 12 THR HA . 26799 1
77 . 1 1 12 12 THR HB H 1 3.996 0.007 . . . . . . 12 THR HB . 26799 1
78 . 1 1 12 12 THR HG21 H 1 0.925 0.002 . . . . . . 12 THR QG2 . 26799 1
79 . 1 1 12 12 THR HG22 H 1 0.925 0.002 . . . . . . 12 THR QG2 . 26799 1
80 . 1 1 12 12 THR HG23 H 1 0.925 0.002 . . . . . . 12 THR QG2 . 26799 1
81 . 1 1 13 13 SER H H 1 8.289 0.001 . . . . . . 13 SER HN . 26799 1
82 . 1 1 13 13 SER HA H 1 4.381 0.001 . . . . . . 13 SER HA . 26799 1
83 . 1 1 13 13 SER HB2 H 1 3.691 0.004 . . . . . . 13 SER HB2 . 26799 1
84 . 1 1 14 14 CYS H H 1 8.008 0.001 . . . . . . 14 CYS HN . 26799 1
85 . 1 1 14 14 CYS HA H 1 4.245 0.000 . . . . . . 14 CYS HA . 26799 1
86 . 1 1 14 14 CYS HB2 H 1 2.987 0.003 . . . . . . 14 CYS HB2 . 26799 1
87 . 1 1 14 14 CYS HB3 H 1 2.903 0.003 . . . . . . 14 CYS HB3 . 26799 1
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