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 50418
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name cyclorasin-9A54-DMSO-293K
_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' . . . 50418 1
2 '2D 1H-1H TOCSY' . . . 50418 1
3 '2D DQF-COSY' . . . 50418 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 . . 50418 1
2 $software_2 . . 50418 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 8.325 0.001 . 1 . . . . . 1 TRP H . 50418 1
2 . 1 . 1 1 1 TRP HA H 1 4.616 0.003 . 1 . . . . . 1 TRP HA . 50418 1
3 . 1 . 1 1 1 TRP HB2 H 1 3.096 0.002 . 1 . . . . . 1 TRP HB2 . 50418 1
4 . 1 . 1 1 1 TRP HB3 H 1 2.916 0.001 . 1 . . . . . 1 TRP HB3 . 50418 1
5 . 1 . 1 1 1 TRP HD1 H 1 7.091 0.001 . 1 . . . . . 1 TRP HD1 . 50418 1
6 . 1 . 1 1 1 TRP HE1 H 1 10.742 0.002 . 1 . . . . . 1 TRP HE1 . 50418 1
7 . 1 . 1 1 1 TRP HE3 H 1 7.517 0.006 . 1 . . . . . 1 TRP HE3 . 50418 1
8 . 1 . 1 1 1 TRP HZ2 H 1 7.329 0.001 . 1 . . . . . 1 TRP HZ2 . 50418 1
9 . 1 . 1 1 1 TRP HZ3 H 1 6.978 0.003 . 1 . . . . . 1 TRP HZ3 . 50418 1
10 . 1 . 1 1 1 TRP HH2 H 1 7.051 0.004 . 1 . . . . . 1 TRP HH2 . 50418 1
11 . 1 . 1 2 2 TBG H H 1 7.651 0.004 . 1 . . . . . 2 TBG H . 50418 1
12 . 1 . 1 2 2 TBG HA H 1 4.254 0.002 . 1 . . . . . 2 TBG HA . 50418 1
13 . 1 . 1 2 2 TBG HG11 H 1 0.823 0.003 . 1 . . . . . 2 TBG HG11 . 50418 1
14 . 1 . 1 2 2 TBG HG12 H 1 0.823 0.003 . 1 . . . . . 2 TBG HG12 . 50418 1
15 . 1 . 1 2 2 TBG HG13 H 1 0.823 0.003 . 1 . . . . . 2 TBG HG13 . 50418 1
16 . 1 . 1 2 2 TBG HG21 H 1 0.823 0.003 . 1 . . . . . 2 TBG HG21 . 50418 1
17 . 1 . 1 2 2 TBG HG22 H 1 0.823 0.003 . 1 . . . . . 2 TBG HG22 . 50418 1
18 . 1 . 1 2 2 TBG HG23 H 1 0.823 0.003 . 1 . . . . . 2 TBG HG23 . 50418 1
19 . 1 . 1 2 2 TBG HG31 H 1 0.823 0.003 . 1 . . . . . 2 TBG HG31 . 50418 1
20 . 1 . 1 2 2 TBG HG32 H 1 0.823 0.003 . 1 . . . . . 2 TBG HG32 . 50418 1
21 . 1 . 1 2 2 TBG HG33 H 1 0.823 0.003 . 1 . . . . . 2 TBG HG33 . 50418 1
22 . 1 . 1 3 3 DVA H H 1 8.188 0.002 . 1 . . . . . 3 DVA H . 50418 1
23 . 1 . 1 3 3 DVA HA H 1 4.01 0.002 . 1 . . . . . 3 DVA HA . 50418 1
24 . 1 . 1 3 3 DVA HB H 1 1.952 0.003 . 1 . . . . . 3 DVA HB . 50418 1
25 . 1 . 1 3 3 DVA HG21 H 1 0.865 0.002 . 1 . . . . . 3 DVA HG21 . 50418 1
26 . 1 . 1 3 3 DVA HG22 H 1 0.865 0.002 . 1 . . . . . 3 DVA HG22 . 50418 1
27 . 1 . 1 3 3 DVA HG23 H 1 0.865 0.002 . 1 . . . . . 3 DVA HG23 . 50418 1
28 . 1 . 1 3 3 DVA HG31 H 1 0.865 0.002 . 1 . . . . . 3 DVA HG31 . 50418 1
29 . 1 . 1 3 3 DVA HG32 H 1 0.865 0.002 . 1 . . . . . 3 DVA HG32 . 50418 1
30 . 1 . 1 3 3 DVA HG33 H 1 0.865 0.002 . 1 . . . . . 3 DVA HG33 . 50418 1
31 . 1 . 1 4 4 ARG H H 1 8.32 0.001 . 1 . . . . . 4 ARG H . 50418 1
32 . 1 . 1 4 4 ARG HA H 1 4.262 0 . 1 . . . . . 4 ARG HA . 50418 1
33 . 1 . 1 4 4 ARG HB2 H 1 1.76 0.005 . 1 . . . . . 4 ARG HB2 . 50418 1
34 . 1 . 1 4 4 ARG HB3 H 1 1.76 0.005 . 1 . . . . . 4 ARG HB3 . 50418 1
35 . 1 . 1 4 4 ARG HG2 H 1 1.4 0.004 . 2 . . . . . 4 ARG HG2 . 50418 1
36 . 1 . 1 4 4 ARG HG3 H 1 1.47 0.003 . 2 . . . . . 4 ARG HG3 . 50418 1
37 . 1 . 1 4 4 ARG HD2 H 1 3.042 0.004 . 1 . . . . . 4 ARG HD2 . 50418 1
38 . 1 . 1 4 4 ARG HD3 H 1 3.042 0.004 . 1 . . . . . 4 ARG HD3 . 50418 1
39 . 1 . 1 4 4 ARG HE H 1 7.478 0.002 . 1 . . . . . 4 ARG HE . 50418 1
40 . 1 . 1 5 5 ARG H H 1 7.828 0.003 . 1 . . . . . 5 ARG H . 50418 1
41 . 1 . 1 5 5 ARG HA H 1 4.173 0.003 . 1 . . . . . 5 ARG HA . 50418 1
42 . 1 . 1 5 5 ARG HB2 H 1 1.431 0.003 . 1 . . . . . 5 ARG HB2 . 50418 1
43 . 1 . 1 5 5 ARG HB3 H 1 1.542 0 . 1 . . . . . 5 ARG HB3 . 50418 1
44 . 1 . 1 5 5 ARG HG2 H 1 1.434 0.001 . 2 . . . . . 5 ARG HG2 . 50418 1
45 . 1 . 1 5 5 ARG HG3 H 1 1.359 0.008 . 2 . . . . . 5 ARG HG3 . 50418 1
46 . 1 . 1 5 5 ARG HD2 H 1 2.927 0 . 1 . . . . . 5 ARG HD2 . 50418 1
47 . 1 . 1 5 5 ARG HD3 H 1 2.927 0 . 1 . . . . . 5 ARG HD3 . 50418 1
48 . 1 . 1 5 5 ARG HE H 1 7.36 0.001 . 1 . . . . . 5 ARG HE . 50418 1
49 . 1 . 1 6 6 ARG H H 1 7.829 0.003 . 1 . . . . . 6 ARG H . 50418 1
50 . 1 . 1 6 6 ARG HA H 1 4.394 0.001 . 1 . . . . . 6 ARG HA . 50418 1
51 . 1 . 1 6 6 ARG HB2 H 1 1.351 0.003 . 1 . . . . . 6 ARG HB2 . 50418 1
52 . 1 . 1 6 6 ARG HB3 H 1 1.116 0.002 . 1 . . . . . 6 ARG HB3 . 50418 1
53 . 1 . 1 6 6 ARG HG2 H 1 1.118 0.005 . 1 . . . . . 6 ARG HG2 . 50418 1
54 . 1 . 1 6 6 ARG HG3 H 1 1.118 0.005 . 1 . . . . . 6 ARG HG3 . 50418 1
55 . 1 . 1 6 6 ARG HD2 H 1 2.817 0.001 . 2 . . . . . 6 ARG HD2 . 50418 1
56 . 1 . 1 6 6 ARG HD3 H 1 2.762 0.004 . 2 . . . . . 6 ARG HD3 . 50418 1
57 . 1 . 1 6 6 ARG HE H 1 7.289 0 . 1 . . . . . 6 ARG HE . 50418 1
58 . 1 . 1 7 7 4J2 H H 1 8.412 0.003 . 1 . . . . . 7 4J2 H . 50418 1
59 . 1 . 1 7 7 4J2 HA H 1 4.72 0.003 . 1 . . . . . 7 4J2 HA . 50418 1
60 . 1 . 1 7 7 4J2 HB2 H 1 3.133 0 . 1 . . . . . 7 4J2 HB2 . 50418 1
61 . 1 . 1 7 7 4J2 HB3 H 1 2.928 0.001 . 1 . . . . . 7 4J2 HB3 . 50418 1
62 . 1 . 1 7 7 4J2 HD1 H 1 7.407 0.003 . 1 . . . . . 7 4J2 HD1 . 50418 1
63 . 1 . 1 7 7 4J2 HD2 H 1 7.685 0.001 . 1 . . . . . 7 4J2 HD2 . 50418 1
64 . 1 . 1 7 7 4J2 HE1 H 1 7.81 0 . 1 . . . . . 7 4J2 HE1 . 50418 1
65 . 1 . 1 8 8 ARG H H 1 8.404 0.002 . 1 . . . . . 8 ARG H . 50418 1
66 . 1 . 1 8 8 ARG HA H 1 4.162 0.001 . 1 . . . . . 8 ARG HA . 50418 1
67 . 1 . 1 8 8 ARG HB2 H 1 1.285 0.005 . 1 . . . . . 8 ARG HB2 . 50418 1
68 . 1 . 1 8 8 ARG HB3 H 1 1.539 0.002 . 1 . . . . . 8 ARG HB3 . 50418 1
69 . 1 . 1 8 8 ARG HG2 H 1 1.166 0.003 . 1 . . . . . 8 ARG HG2 . 50418 1
70 . 1 . 1 8 8 ARG HG3 H 1 1.166 0.003 . 1 . . . . . 8 ARG HG3 . 50418 1
71 . 1 . 1 8 8 ARG HD2 H 1 2.886 0.003 . 1 . . . . . 8 ARG HD2 . 50418 1
72 . 1 . 1 8 8 ARG HD3 H 1 2.886 0.003 . 1 . . . . . 8 ARG HD3 . 50418 1
73 . 1 . 1 8 8 ARG HE H 1 7.344 0.003 . 1 . . . . . 8 ARG HE . 50418 1
74 . 1 . 1 9 9 F2F H H 1 7.798 0.004 . 1 . . . . . 9 F2F H . 50418 1
75 . 1 . 1 9 9 F2F HA H 1 4.544 0.001 . 1 . . . . . 9 F2F HA . 50418 1
76 . 1 . 1 9 9 F2F HB2 H 1 2.681 0.002 . 1 . . . . . 9 F2F HB2 . 50418 1
77 . 1 . 1 9 9 F2F HB3 H 1 2.963 0.004 . 1 . . . . . 9 F2F HB3 . 50418 1
78 . 1 . 1 9 9 F2F HD1 H 1 6.838 0.001 . 1 . . . . . 9 F2F HD1 . 50418 1
79 . 1 . 1 9 9 F2F HD2 H 1 7.265 0.003 . 1 . . . . . 9 F2F HD2 . 50418 1
80 . 1 . 1 9 9 F2F HE1 H 1 7.172 0.003 . 1 . . . . . 9 F2F HE1 . 50418 1
81 . 1 . 1 10 10 DNE H H 1 8.2 0.003 . 1 . . . . . 10 DNE H . 50418 1
82 . 1 . 1 10 10 DNE HA H 1 4.259 0.001 . 1 . . . . . 10 DNE HA . 50418 1
83 . 1 . 1 10 10 DNE HB2 H 1 1.493 0.002 . 1 . . . . . 10 DNE HB2 . 50418 1
84 . 1 . 1 10 10 DNE HB3 H 1 1.623 0.004 . 1 . . . . . 10 DNE HB3 . 50418 1
85 . 1 . 1 10 10 DNE HG2 H 1 1.239 0.003 . 2 . . . . . 10 DNE HG2 . 50418 1
86 . 1 . 1 10 10 DNE HG3 H 1 1.202 0.003 . 2 . . . . . 10 DNE HG3 . 50418 1
87 . 1 . 1 10 10 DNE HD2 H 1 1.239 0.014 . 1 . . . . . 10 DNE HD2 . 50418 1
88 . 1 . 1 10 10 DNE HD3 H 1 1.239 0.014 . 1 . . . . . 10 DNE HD3 . 50418 1
89 . 1 . 1 10 10 DNE HE1 H 1 0.827 0.01 . 1 . . . . . 10 DNE HE1 . 50418 1
90 . 1 . 1 10 10 DNE HE2 H 1 0.827 0.01 . 1 . . . . . 10 DNE HE2 . 50418 1
91 . 1 . 1 10 10 DNE HE3 H 1 0.827 0.01 . 1 . . . . . 10 DNE HE3 . 50418 1
92 . 1 . 1 11 11 GLN H H 1 8.058 0.001 . 1 . . . . . 11 GLN H . 50418 1
93 . 1 . 1 11 11 GLN HA H 1 4.111 0.003 . 1 . . . . . 11 GLN HA . 50418 1
94 . 1 . 1 11 11 GLN HB2 H 1 1.719 0.008 . 1 . . . . . 11 GLN HB2 . 50418 1
95 . 1 . 1 11 11 GLN HB3 H 1 1.758 0.005 . 1 . . . . . 11 GLN HB3 . 50418 1
96 . 1 . 1 11 11 GLN HG2 H 1 2.082 0.003 . 2 . . . . . 11 GLN HG2 . 50418 1
97 . 1 . 1 11 11 GLN HG3 H 1 2.111 0.004 . 2 . . . . . 11 GLN HG3 . 50418 1
98 . 1 . 1 11 11 GLN HE21 H 1 7.358 0.002 . 2 . . . . . 11 GLN HE21 . 50418 1
99 . 1 . 1 11 11 GLN HE22 H 1 7.154 0.002 . 2 . . . . . 11 GLN HE22 . 50418 1
stop_
save_