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 50639
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name cyclorasin-12A-DMSO-298K
_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 .
_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' . . . 50639 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
1 $software_1 . . 50639 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_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 1 1 TRP H H 1 8.172 0.001 . 1 . . . . . 1 TRP H . 50639 1
2 . 1 . 1 1 1 TRP HA H 1 4.751 0.002 . 1 . . . . . 1 TRP HA . 50639 1
3 . 1 . 1 1 1 TRP HB2 H 1 2.881 0.002 . 1 . . . . . 1 TRP HB2 . 50639 1
4 . 1 . 1 1 1 TRP HB3 H 1 3.090 0.002 . 1 . . . . . 1 TRP HB3 . 50639 1
5 . 1 . 1 1 1 TRP HD1 H 1 7.187 0.001 . 1 . . . . . 1 TRP HD1 . 50639 1
6 . 1 . 1 1 1 TRP HE1 H 1 10.644 0.001 . 1 . . . . . 1 TRP HE1 . 50639 1
7 . 1 . 1 1 1 TRP HE3 H 1 7.440 0.001 . 1 . . . . . 1 TRP HE3 . 50639 1
8 . 1 . 1 1 1 TRP HZ2 H 1 7.184 0.004 . 1 . . . . . 1 TRP HZ2 . 50639 1
9 . 1 . 1 1 1 TRP HZ3 H 1 6.826 0.001 . 1 . . . . . 1 TRP HZ3 . 50639 1
10 . 1 . 1 1 1 TRP HH2 H 1 6.878 0.005 . 1 . . . . . 1 TRP HH2 . 50639 1
11 . 1 . 1 2 2 ARG H H 1 8.568 0.001 . 1 . . . . . 2 ARG H . 50639 1
12 . 1 . 1 2 2 ARG HA H 1 3.910 0.001 . 1 . . . . . 2 ARG HA . 50639 1
13 . 1 . 1 2 2 ARG HB2 H 1 1.651 0.002 . 1 . . . . . 2 ARG HB2 . 50639 1
14 . 1 . 1 2 2 ARG HB3 H 1 1.651 0.002 . 1 . . . . . 2 ARG HB3 . 50639 1
15 . 1 . 1 2 2 ARG HG2 H 1 1.470 0.004 . 2 . . . . . 2 ARG HG2 . 50639 1
16 . 1 . 1 2 2 ARG HG3 H 1 1.596 0.003 . 2 . . . . . 2 ARG HG3 . 50639 1
17 . 1 . 1 2 2 ARG HD2 H 1 3.125 0.004 . 2 . . . . . 2 ARG HD2 . 50639 1
18 . 1 . 1 2 2 ARG HD3 H 1 3.146 0.000 . 2 . . . . . 2 ARG HD3 . 50639 1
19 . 1 . 1 2 2 ARG HE H 1 7.572 0.000 . 1 . . . . . 2 ARG HE . 50639 1
20 . 1 . 1 3 3 DAL H H 1 8.672 0.001 . 1 . . . . . 3 ALA H . 50639 1
21 . 1 . 1 3 3 DAL HA H 1 4.240 0.001 . 1 . . . . . 3 ALA HA . 50639 1
22 . 1 . 1 3 3 DAL HB1 H 1 1.278 0.001 . 1 . . . . . 3 ALA MB . 50639 1
23 . 1 . 1 3 3 DAL HB2 H 1 1.278 0.001 . 1 . . . . . 3 ALA MB . 50639 1
24 . 1 . 1 3 3 DAL HB3 H 1 1.278 0.001 . 1 . . . . . 3 ALA MB . 50639 1
25 . 1 . 1 4 4 GLN H H 1 7.332 0.000 . 1 . . . . . 4 GLN H . 50639 1
26 . 1 . 1 4 4 GLN HA H 1 3.837 0.001 . 1 . . . . . 4 GLN HA . 50639 1
27 . 1 . 1 4 4 GLN HB2 H 1 1.624 0.002 . 1 . . . . . 4 GLN HB2 . 50639 1
28 . 1 . 1 4 4 GLN HB3 H 1 1.760 0.004 . 1 . . . . . 4 GLN HB3 . 50639 1
29 . 1 . 1 4 4 GLN HG2 H 1 1.845 0.006 . 2 . . . . . 4 GLN HG2 . 50639 1
30 . 1 . 1 4 4 GLN HG3 H 1 2.109 0.003 . 2 . . . . . 4 GLN HG3 . 50639 1
31 . 1 . 1 4 4 GLN HE21 H 1 7.298 0.001 . 2 . . . . . 4 GLN HE21 . 50639 1
32 . 1 . 1 4 4 GLN HE22 H 1 7.094 0.001 . 2 . . . . . 4 GLN HE22 . 50639 1
33 . 1 . 1 5 5 ARG H H 1 8.170 0.002 . 1 . . . . . 5 ARG H . 50639 1
34 . 1 . 1 5 5 ARG HA H 1 4.905 0.001 . 1 . . . . . 5 ARG HA . 50639 1
35 . 1 . 1 5 5 ARG HB2 H 1 1.553 0.002 . 1 . . . . . 5 ARG HB2 . 50639 1
36 . 1 . 1 5 5 ARG HB3 H 1 1.553 0.002 . 1 . . . . . 5 ARG HB3 . 50639 1
37 . 1 . 1 5 5 ARG HG2 H 1 3.123 0.001 . 2 . . . . . 5 ARG HG2 . 50639 1
38 . 1 . 1 5 5 ARG HG3 H 1 3.064 0.004 . 2 . . . . . 5 ARG HG3 . 50639 1
39 . 1 . 1 5 5 ARG HD2 H 1 1.458 0.004 . 1 . . . . . 5 ARG HD2 . 50639 1
40 . 1 . 1 5 5 ARG HD3 H 1 1.458 0.004 . 1 . . . . . 5 ARG HD3 . 50639 1
41 . 1 . 1 5 5 ARG HE H 1 7.538 0.000 . 1 . . . . . 5 ARG HE . 50639 1
42 . 1 . 1 6 6 ARG H H 1 8.265 0.001 . 1 . . . . . 6 ARG H . 50639 1
43 . 1 . 1 6 6 ARG HA H 1 4.468 0.001 . 1 . . . . . 6 ARG HA . 50639 1
44 . 1 . 1 6 6 ARG HB2 H 1 1.674 0.002 . 1 . . . . . 6 ARG HB2 . 50639 1
45 . 1 . 1 6 6 ARG HB3 H 1 1.674 0.002 . 1 . . . . . 6 ARG HB3 . 50639 1
46 . 1 . 1 6 6 ARG HG2 H 1 1.342 0.003 . 1 . . . . . 6 ARG HG2 . 50639 1
47 . 1 . 1 6 6 ARG HG3 H 1 1.342 0.003 . 1 . . . . . 6 ARG HG3 . 50639 1
48 . 1 . 1 6 6 ARG HD2 H 1 2.942 0.001 . 1 . . . . . 6 ARG HD2 . 50639 1
49 . 1 . 1 6 6 ARG HD3 H 1 2.942 0.001 . 1 . . . . . 6 ARG HD3 . 50639 1
50 . 1 . 1 6 6 ARG HE H 1 7.444 0.001 . 1 . . . . . 6 ARG HE . 50639 1
51 . 1 . 1 7 7 4J2 H H 1 9.232 0.001 . 1 . . . . . 7 4J2 H . 50639 1
52 . 1 . 1 7 7 4J2 HA H 1 4.538 0.004 . 1 . . . . . 7 4J2 HA . 50639 1
53 . 1 . 1 7 7 4J2 HB1 H 1 3.047 0.003 . 1 . . . . . 7 4J2 HB1 . 50639 1
54 . 1 . 1 7 7 4J2 HB2 H 1 3.110 0.001 . 1 . . . . . 7 4J2 HB2 . 50639 1
55 . 1 . 1 7 7 4J2 HD1 H 1 7.429 0.002 . 1 . . . . . 7 4J2 HD1 . 50639 1
56 . 1 . 1 7 7 4J2 HD2 H 1 7.747 0.001 . 1 . . . . . 7 4J2 HD2 . 50639 1
57 . 1 . 1 7 7 4J2 HE1 H 1 7.850 0.003 . 1 . . . . . 7 4J2 HE1 . 50639 1
58 . 1 . 1 7 7 4J2 HZ2 H 1 7.877 0.000 . 1 . . . . . 7 4J2 HZ2 . 50639 1
59 . 1 . 1 8 8 ARG H H 1 8.551 0.001 . 1 . . . . . 8 ARG H . 50639 1
60 . 1 . 1 8 8 ARG HA H 1 3.844 0.002 . 1 . . . . . 8 ARG HA . 50639 1
61 . 1 . 1 8 8 ARG HB2 H 1 0.933 0.003 . 1 . . . . . 8 ARG HB2 . 50639 1
62 . 1 . 1 8 8 ARG HB3 H 1 1.526 0.003 . 1 . . . . . 8 ARG HB3 . 50639 1
63 . 1 . 1 8 8 ARG HG2 H 1 0.648 0.004 . 2 . . . . . 8 ARG HG2 . 50639 1
64 . 1 . 1 8 8 ARG HG3 H 1 0.793 0.003 . 2 . . . . . 8 ARG HG3 . 50639 1
65 . 1 . 1 8 8 ARG HD2 H 1 2.594 0.001 . 1 . . . . . 8 ARG HD2 . 50639 1
66 . 1 . 1 8 8 ARG HD3 H 1 2.594 0.001 . 1 . . . . . 8 ARG HD3 . 50639 1
67 . 1 . 1 8 8 ARG HE H 1 7.270 0.006 . 1 . . . . . 8 ARG HE . 50639 1
68 . 1 . 1 9 9 PFF H H 1 7.779 0.001 . 1 . . . . . 9 PFF H . 50639 1
69 . 1 . 1 9 9 PFF HA H 1 4.720 0.008 . 1 . . . . . 9 PFF HA . 50639 1
70 . 1 . 1 9 9 PFF HB2 H 1 2.754 0.003 . 1 . . . . . 9 PFF HB2 . 50639 1
71 . 1 . 1 9 9 PFF HB3 H 1 2.973 0.004 . 1 . . . . . 9 PFF HB3 . 50639 1
72 . 1 . 1 9 9 PFF HD1 H 1 7.285 0.002 . 1 . . . . . 9 PFF HD1 . 50639 1
73 . 1 . 1 9 9 PFF HD2 H 1 7.285 0.002 . 1 . . . . . 9 PFF HD2 . 50639 1
74 . 1 . 1 9 9 PFF HE1 H 1 7.022 0.000 . 1 . . . . . 9 PFF HE1 . 50639 1
75 . 1 . 1 9 9 PFF HE2 H 1 7.022 0.000 . 1 . . . . . 9 PFF HE2 . 50639 1
76 . 1 . 1 10 10 ARG H H 1 8.619 0.001 . 1 . . . . . 10 ARG H . 50639 1
77 . 1 . 1 10 10 ARG HA H 1 4.903 0.001 . 1 . . . . . 10 ARG HA . 50639 1
78 . 1 . 1 10 10 ARG HB2 H 1 1.430 0.001 . 1 . . . . . 10 ARG HB2 . 50639 1
79 . 1 . 1 10 10 ARG HB3 H 1 1.550 0.001 . 1 . . . . . 10 ARG HB3 . 50639 1
80 . 1 . 1 10 10 ARG HG2 H 1 1.378 0.001 . 1 . . . . . 10 ARG HG2 . 50639 1
81 . 1 . 1 10 10 ARG HG3 H 1 1.378 0.001 . 1 . . . . . 10 ARG HG3 . 50639 1
82 . 1 . 1 10 10 ARG HD2 H 1 3.016 0.002 . 2 . . . . . 10 ARG HD2 . 50639 1
83 . 1 . 1 10 10 ARG HD3 H 1 3.054 0.002 . 2 . . . . . 10 ARG HD3 . 50639 1
84 . 1 . 1 10 10 ARG HE H 1 7.375 0.001 . 1 . . . . . 10 ARG HE . 50639 1
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save_