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 50647
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name cyclorasin-9A12-water-283K
_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' . . . 50647 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
1 $software_1 . . 50647 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 1 1 TRP H H 1 8.175 0.004 . 1 . . . . . 1 TRP H . 50647 1
2 . 1 . 1 1 1 TRP HA H 1 5.241 0.004 . 1 . . . . . 1 TRP HA . 50647 1
3 . 1 . 1 1 1 TRP HB2 H 1 3.131 0.008 . 1 . . . . . 1 TRP HB2 . 50647 1
4 . 1 . 1 1 1 TRP HB3 H 1 3.321 0.003 . 1 . . . . . 1 TRP HB3 . 50647 1
5 . 1 . 1 1 1 TRP HD1 H 1 6.978 0.001 . 1 . . . . . 1 TRP HD1 . 50647 1
6 . 1 . 1 1 1 TRP HE1 H 1 10.122 0 . 1 . . . . . 1 TRP HE1 . 50647 1
7 . 1 . 1 1 1 TRP HE3 H 1 7.489 0.002 . 1 . . . . . 1 TRP HE3 . 50647 1
8 . 1 . 1 1 1 TRP HZ2 H 1 7.488 0.002 . 1 . . . . . 1 TRP HZ2 . 50647 1
9 . 1 . 1 1 1 TRP HZ3 H 1 7.007 0.002 . 1 . . . . . 1 TRP HZ3 . 50647 1
10 . 1 . 1 1 1 TRP HH2 H 1 7.182 0 . 1 . . . . . 1 TRP HH2 . 50647 1
11 . 1 . 1 2 2 THR H H 1 8.652 0.002 . 1 . . . . . 2 THR H . 50647 1
12 . 1 . 1 2 2 THR HA H 1 4.488 0.002 . 1 . . . . . 2 THR HA . 50647 1
13 . 1 . 1 2 2 THR HB H 1 4.175 0.004 . 1 . . . . . 2 THR HB . 50647 1
14 . 1 . 1 2 2 THR HG21 H 1 1.210 0 . 1 . . . . . 2 THR MG . 50647 1
15 . 1 . 1 2 2 THR HG22 H 1 1.210 0 . 1 . . . . . 2 THR MG . 50647 1
16 . 1 . 1 2 2 THR HG23 H 1 1.210 0 . 1 . . . . . 2 THR MG . 50647 1
17 . 1 . 1 3 3 DAL H H 1 8.711 0 . 1 . . . . . 3 DAL H . 50647 1
18 . 1 . 1 3 3 DAL HA H 1 4.107 0.003 . 1 . . . . . 3 DAL HA . 50647 1
19 . 1 . 1 3 3 DAL MB M 1 1.435 0.002 . 1 . . . . . 3 DAL MB . 50647 1
20 . 1 . 1 4 4 DAR H H 1 8.179 0.002 . 1 . . . . . 4 DAR H . 50647 1
21 . 1 . 1 4 4 DAR HA H 1 4.308 0.002 . 1 . . . . . 4 DAR HA . 50647 1
22 . 1 . 1 4 4 DAR HB2 H 1 1.771 0.005 . 1 . . . . . 4 DAR HB2 . 50647 1
23 . 1 . 1 4 4 DAR HB3 H 1 1.732 0.003 . 1 . . . . . 4 DAR HB3 . 50647 1
24 . 1 . 1 4 4 DAR HG2 H 1 1.511 0.026 . 2 . . . . . 4 DAR HG2 . 50647 1
25 . 1 . 1 4 4 DAR HG3 H 1 1.587 0.003 . 2 . . . . . 4 DAR HG3 . 50647 1
26 . 1 . 1 4 4 DAR HD2 H 1 3.143 0.001 . 1 . . . . . 4 DAR HD2 . 50647 1
27 . 1 . 1 4 4 DAR HD3 H 1 3.143 0.001 . 1 . . . . . 4 DAR HD3 . 50647 1
28 . 1 . 1 5 5 ARG H H 1 8.222 0.004 . 1 . . . . . 5 ARG H . 50647 1
29 . 1 . 1 5 5 ARG HA H 1 4.104 0.001 . 1 . . . . . 5 ARG HA . 50647 1
30 . 1 . 1 5 5 ARG HB2 H 1 1.486 0.003 . 1 . . . . . 5 ARG HB2 . 50647 1
31 . 1 . 1 5 5 ARG HB3 H 1 1.393 0.004 . 1 . . . . . 5 ARG HB3 . 50647 1
32 . 1 . 1 5 5 ARG HG2 H 1 1.013 0.002 . 2 . . . . . 5 ARG HG2 . 50647 1
33 . 1 . 1 5 5 ARG HG3 H 1 1.245 0.004 . 2 . . . . . 5 ARG HG3 . 50647 1
34 . 1 . 1 5 5 ARG HD2 H 1 2.630 0.002 . 1 . . . . . 5 ARG HD2 . 50647 1
35 . 1 . 1 5 5 ARG HD3 H 1 2.630 0.002 . 1 . . . . . 5 ARG HD3 . 50647 1
36 . 1 . 1 6 6 ARG H H 1 8.062 0.003 . 1 . . . . . 6 ARG H . 50647 1
37 . 1 . 1 6 6 ARG HA H 1 4.320 0.001 . 1 . . . . . 6 ARG HA . 50647 1
38 . 1 . 1 6 6 ARG HB2 H 1 1.595 0.006 . 1 . . . . . 6 ARG HB2 . 50647 1
39 . 1 . 1 6 6 ARG HB3 H 1 1.545 0.003 . 1 . . . . . 6 ARG HB3 . 50647 1
40 . 1 . 1 6 6 ARG HG2 H 1 1.131 0.005 . 2 . . . . . 6 ARG HG2 . 50647 1
41 . 1 . 1 6 6 ARG HG3 H 1 1.263 0.006 . 2 . . . . . 6 ARG HG3 . 50647 1
42 . 1 . 1 6 6 ARG HD2 H 1 2.720 0.003 . 2 . . . . . 6 ARG HD2 . 50647 1
43 . 1 . 1 6 6 ARG HD3 H 1 2.806 0.004 . 2 . . . . . 6 ARG HD3 . 50647 1
44 . 1 . 1 7 7 4J2 H H 1 8.650 0.001 . 1 . . . . . 7 4J2 H . 50647 1
45 . 1 . 1 7 7 4J2 HA H 1 5.103 0.001 . 1 . . . . . 7 4J2 HA . 50647 1
46 . 1 . 1 7 7 4J2 HB1 H 1 3.266 0.004 . 1 . . . . . 7 4J2 HB1 . 50647 1
47 . 1 . 1 7 7 4J2 HB2 H 1 3.189 0.007 . 1 . . . . . 7 4J2 HB2 . 50647 1
48 . 1 . 1 7 7 4J2 HD1 H 1 7.513 0.001 . 1 . . . . . 7 4J2 HD1 . 50647 1
49 . 1 . 1 7 7 4J2 HD2 H 1 7.740 0.002 . 1 . . . . . 7 4J2 HD2 . 50647 1
50 . 1 . 1 7 7 4J2 HE1 H 1 7.894 0.003 . 1 . . . . . 7 4J2 HE1 . 50647 1
51 . 1 . 1 8 8 ARG H H 1 7.915 0.002 . 1 . . . . . 8 ARG H . 50647 1
52 . 1 . 1 8 8 ARG HA H 1 4.181 0.002 . 1 . . . . . 8 ARG HA . 50647 1
53 . 1 . 1 8 8 ARG HB2 H 1 1.293 0.004 . 1 . . . . . 8 ARG HB2 . 50647 1
54 . 1 . 1 8 8 ARG HB3 H 1 1.358 0.004 . 1 . . . . . 8 ARG HB3 . 50647 1
55 . 1 . 1 8 8 ARG HG2 H 1 0.541 0.012 . 2 . . . . . 8 ARG HG2 . 50647 1
56 . 1 . 1 8 8 ARG HG3 H 1 0.712 0.01 . 2 . . . . . 8 ARG HG3 . 50647 1
57 . 1 . 1 8 8 ARG HD2 H 1 2.318 0.002 . 2 . . . . . 8 ARG HD2 . 50647 1
58 . 1 . 1 8 8 ARG HD3 H 1 2.545 0.002 . 2 . . . . . 8 ARG HD3 . 50647 1
59 . 1 . 1 8 8 ARG HE H 1 6.502 0.000 . 1 . . . . . 8 ARG HE . 50647 1
60 . 1 . 1 9 9 PHE H H 1 8.313 0.001 . 1 . . . . . 9 PHE H . 50647 1
61 . 1 . 1 9 9 PHE HA H 1 3.798 0.002 . 1 . . . . . 9 PHE HA . 50647 1
62 . 1 . 1 9 9 PHE HB2 H 1 2.827 0.009 . 1 . . . . . 9 PHE HB2 . 50647 1
63 . 1 . 1 9 9 PHE HB3 H 1 3.067 0.003 . 1 . . . . . 9 PHE HB3 . 50647 1
64 . 1 . 1 9 9 PHE HD1 H 1 7.105 0.002 . 3 . . . . . 9 PHE HD1 . 50647 1
65 . 1 . 1 9 9 PHE HD2 H 1 7.105 0.002 . 3 . . . . . 9 PHE HD2 . 50647 1
66 . 1 . 1 9 9 PHE HE1 H 1 7.335 0.001 . 3 . . . . . 9 PHE HE1 . 50647 1
67 . 1 . 1 9 9 PHE HE2 H 1 7.335 0.001 . 3 . . . . . 9 PHE HE2 . 50647 1
68 . 1 . 1 10 10 DNE H H 1 8.182 0.003 . 1 . . . . . 10 DNE H . 50647 1
69 . 1 . 1 10 10 DNE HA H 1 3.901 0.002 . 1 . . . . . 10 DNE HA . 50647 1
70 . 1 . 1 10 10 DNE HB2 H 1 1.591 0.000 . 1 . . . . . 10 DNE HB2 . 50647 1
71 . 1 . 1 10 10 DNE HB3 H 1 1.115 0 . 1 . . . . . 10 DNE HB3 . 50647 1
72 . 1 . 1 10 10 DNE HD2 H 1 1.122 0 . 1 . . . . . 10 DNE HD2 . 50647 1
73 . 1 . 1 10 10 DNE HD3 H 1 1.122 0 . 1 . . . . . 10 DNE HD3 . 50647 1
74 . 1 . 1 10 10 DNE HE1 H 1 0.804 0.007 . 1 . . . . . 10 DNE HE1 . 50647 1
75 . 1 . 1 10 10 DNE HE2 H 1 0.804 0.007 . 1 . . . . . 10 DNE HE2 . 50647 1
76 . 1 . 1 10 10 DNE HE3 H 1 0.804 0.007 . 1 . . . . . 10 DNE HE3 . 50647 1
77 . 1 . 1 11 11 GLN H H 1 8.176 0.003 . 1 . . . . . 11 GLN H . 50647 1
78 . 1 . 1 11 11 GLN HA H 1 4.405 0.002 . 1 . . . . . 11 GLN HA . 50647 1
79 . 1 . 1 11 11 GLN HB2 H 1 1.564 0.012 . 1 . . . . . 11 GLN HB2 . 50647 1
80 . 1 . 1 11 11 GLN HB3 H 1 1.981 0.003 . 1 . . . . . 11 GLN HB3 . 50647 1
81 . 1 . 1 11 11 GLN HG2 H 1 2.090 0.004 . 2 . . . . . 11 GLN HG2 . 50647 1
82 . 1 . 1 11 11 GLN HG3 H 1 2.183 0.004 . 2 . . . . . 11 GLN HG3 . 50647 1
83 . 1 . 1 11 11 GLN HE21 H 1 7.602 0 . 2 . . . . . 11 GLN HE21 . 50647 1
84 . 1 . 1 11 11 GLN HE22 H 1 6.961 0 . 2 . . . . . 11 GLN HE22 . 50647 1
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save_