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 50648
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name cyclorasin-9A44d-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' . . . 50648 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 . . 50648 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 8.373 0.001 . 1 . . . . . 1 TRP H . 50648 1
2 . 1 . 1 1 1 TRP HA H 1 4.878 0.001 . 1 . . . . . 1 TRP HA . 50648 1
3 . 1 . 1 1 1 TRP HB2 H 1 3.461 0.004 . 1 . . . . . 1 TRP HB2 . 50648 1
4 . 1 . 1 1 1 TRP HB3 H 1 3.140 0.005 . 1 . . . . . 1 TRP HB3 . 50648 1
5 . 1 . 1 1 1 TRP HD1 H 1 7.148 0.003 . 1 . . . . . 1 TRP HD1 . 50648 1
6 . 1 . 1 1 1 TRP HE1 H 1 10.141 0.002 . 1 . . . . . 1 TRP HE1 . 50648 1
7 . 1 . 1 1 1 TRP HE3 H 1 7.552 0.004 . 1 . . . . . 1 TRP HE3 . 50648 1
8 . 1 . 1 1 1 TRP HZ2 H 1 7.438 0.002 . 1 . . . . . 1 TRP HZ2 . 50648 1
9 . 1 . 1 1 1 TRP HZ3 H 1 7.026 0 . 1 . . . . . 1 TRP HZ3 . 50648 1
10 . 1 . 1 1 1 TRP HH2 H 1 7.170 0 . 1 . . . . . 1 TRP HH2 . 50648 1
11 . 1 . 1 2 2 TBG H H 1 7.879 0.003 . 1 . . . . . 2 TBG H . 50648 1
12 . 1 . 1 2 2 TBG HA H 1 4.165 0.006 . 1 . . . . . 2 TBG HA . 50648 1
13 . 1 . 1 2 2 TBG HG11 H 1 0.983 0.002 . 1 . . . . . 2 TBG HG11 . 50648 1
14 . 1 . 1 2 2 TBG HG12 H 1 0.9832 0.002 . 1 . . . . . 2 TBG HG12 . 50648 1
15 . 1 . 1 2 2 TBG HG13 H 1 0.9832 0.002 . 1 . . . . . 2 TBG HG13 . 50648 1
16 . 1 . 1 2 2 TBG HG21 H 1 0.9832 0.002 . 1 . . . . . 2 TBG HG21 . 50648 1
17 . 1 . 1 2 2 TBG HG22 H 1 0.9832 0.002 . 1 . . . . . 2 TBG HG22 . 50648 1
18 . 1 . 1 2 2 TBG HG23 H 1 0.9832 0.002 . 1 . . . . . 2 TBG HG23 . 50648 1
19 . 1 . 1 2 2 TBG HG31 H 1 0.9832 0.002 . 1 . . . . . 2 TBG HG31 . 50648 1
20 . 1 . 1 2 2 TBG HG32 H 1 0.9832 0.002 . 1 . . . . . 2 TBG HG32 . 50648 1
21 . 1 . 1 2 2 TBG HG33 H 1 0.9832 0.002 . 1 . . . . . 2 TBG HG33 . 50648 1
22 . 1 . 1 3 3 DAL H H 1 8.8682 0.002 . 1 . . . . . 3 DAL H . 50648 1
23 . 1 . 1 3 3 DAL HA H 1 4.3702 0.001 . 1 . . . . . 3 DAL HA . 50648 1
24 . 1 . 1 3 3 DAL HB1 H 1 1.4052 0.004 . 1 . . . . . 3 DAL MB . 50648 1
25 . 1 . 1 3 3 DAL HB2 H 1 1.4052 0.004 . 1 . . . . . 3 DAL MB . 50648 1
26 . 1 . 1 3 3 DAL HB3 H 1 1.4052 0.004 . 1 . . . . . 3 DAL MB . 50648 1
27 . 1 . 1 4 4 ARG H H 1 8.5142 0.001 . 1 . . . . . 4 ARG H . 50648 1
28 . 1 . 1 4 4 ARG HA H 1 4.3032 0.003 . 1 . . . . . 4 ARG HA . 50648 1
29 . 1 . 1 4 4 ARG HB2 H 1 1.8612 0.003 . 1 . . . . . 4 ARG HB2 . 50648 1
30 . 1 . 1 4 4 ARG HB3 H 1 1.9302 0.005 . 1 . . . . . 4 ARG HB3 . 50648 1
31 . 1 . 1 4 4 ARG HG2 H 1 1.6052 0.013 . 2 . . . . . 4 ARG HG2 . 50648 1
32 . 1 . 1 4 4 ARG HG3 H 1 1.6442 0.002 . 2 . . . . . 4 ARG HG3 . 50648 1
33 . 1 . 1 4 4 ARG HD2 H 1 3.1882 0.002 . 1 . . . . . 4 ARG HD2 . 50648 1
34 . 1 . 1 4 4 ARG HD3 H 1 3.1882 0.002 . 1 . . . . . 4 ARG HD3 . 50648 1
35 . 1 . 1 5 5 ARG H H 1 8.3842 0.001 . 1 . . . . . 5 ARG H . 50648 1
36 . 1 . 1 5 5 ARG HA H 1 3.9362 0.004 . 1 . . . . . 5 ARG HA . 50648 1
37 . 1 . 1 5 5 ARG HB2 H 1 1.470 0.003 . 1 . . . . . 5 ARG HB2 . 50648 1
38 . 1 . 1 5 5 ARG HB3 H 1 1.6412 0.002 . 1 . . . . . 5 ARG HB3 . 50648 1
39 . 1 . 1 5 5 ARG HG2 H 1 1.2742 0.003 . 1 . . . . . 5 ARG HG2 . 50648 1
40 . 1 . 1 5 5 ARG HG3 H 1 1.2742 0.003 . 1 . . . . . 5 ARG HG3 . 50648 1
41 . 1 . 1 5 5 ARG HD2 H 1 2.8312 0.002 . 1 . . . . . 5 ARG HD2 . 50648 1
42 . 1 . 1 5 5 ARG HD3 H 1 2.8312 0.002 . 1 . . . . . 5 ARG HD3 . 50648 1
43 . 1 . 1 6 6 ARG H H 1 7.6742 0.002 . 1 . . . . . 6 ARG H . 50648 1
44 . 1 . 1 6 6 ARG HA H 1 3.960 0.001 . 1 . . . . . 6 ARG HA . 50648 1
45 . 1 . 1 6 6 ARG HB2 H 1 1.2912 0.004 . 1 . . . . . 6 ARG HB2 . 50648 1
46 . 1 . 1 6 6 ARG HB3 H 1 1.2022 0.002 . 1 . . . . . 6 ARG HB3 . 50648 1
47 . 1 . 1 6 6 ARG HG2 H 1 0.6132 0.007 . 2 . . . . . 6 ARG HG2 . 50648 1
48 . 1 . 1 6 6 ARG HG3 H 1 0.8172 0.005 . 2 . . . . . 6 ARG HG3 . 50648 1
49 . 1 . 1 6 6 ARG HD2 H 1 2.3352 0.003 . 2 . . . . . 6 ARG HD2 . 50648 1
50 . 1 . 1 6 6 ARG HD3 H 1 2.4902 0.004 . 2 . . . . . 6 ARG HD3 . 50648 1
51 . 1 . 1 7 7 4JP H H 1 8.4302 0.001 . 1 . . . . . 7 4JP H . 50648 1
52 . 1 . 1 7 7 4JP HA H 1 4.8162 0.002 . 1 . . . . . 7 4JP HA . 50648 1
53 . 1 . 1 7 7 4JP HB1 H 1 2.9662 0.004 . 1 . . . . . 7 4JP HB1 . 50648 1
54 . 1 . 1 7 7 4JP HB2 H 1 3.1542 0.004 . 1 . . . . . 7 4JP HB2 . 50648 1
55 . 1 . 1 7 7 4JP HD1 H 1 7.1842 0.002 . 1 . . . . . 7 4JP HD1 . 50648 1
56 . 1 . 1 7 7 4JP HD2 H 1 7.5162 0.001 . 1 . . . . . 7 4JP HD2 . 50648 1
57 . 1 . 1 7 7 4JP HE1 H 1 7.7742 0.004 . 1 . . . . . 7 4JP HE1 . 50648 1
58 . 1 . 1 8 8 ARG H H 1 8.1962 0.003 . 1 . . . . . 8 ARG H . 50648 1
59 . 1 . 1 8 8 ARG HA H 1 4.2222 0.001 . 1 . . . . . 8 ARG HA . 50648 1
60 . 1 . 1 8 8 ARG HB2 H 1 1.5392 0.005 . 1 . . . . . 8 ARG HB2 . 50648 1
61 . 1 . 1 8 8 ARG HB3 H 1 1.6272 0.003 . 1 . . . . . 8 ARG HB3 . 50648 1
62 . 1 . 1 8 8 ARG HG2 H 1 1.066 0.004 . 2 . . . . . 8 ARG HG2 . 50648 1
63 . 1 . 1 8 8 ARG HG3 H 1 1.0942 0.006 . 2 . . . . . 8 ARG HG3 . 50648 1
64 . 1 . 1 8 8 ARG HD2 H 1 2.6712 0.001 . 2 . . . . . 8 ARG HD2 . 50648 1
65 . 1 . 1 8 8 ARG HD3 H 1 2.7522 0.002 . 2 . . . . . 8 ARG HD3 . 50648 1
66 . 1 . 1 9 9 DCB H H 1 8.4932 0.004 . 1 . . . . . 9 Dcb H . 50648 1
67 . 1 . 1 9 9 DCB H1 H 1 7.7742 0.001 . 1 . . . . . 9 Dcb H1 . 50648 1
68 . 1 . 1 9 9 DCB H4 H 1 7.4712 0 . 1 . . . . . 9 Dcb H4 . 50648 1
69 . 1 . 1 9 9 DCB H5 H 1 7.6722 0.004 . 1 . . . . . 9 Dcb H5 . 50648 1
70 . 1 . 1 9 9 DCB HA H 1 4.5592 0.003 . 1 . . . . . 9 Dcb HA . 50648 1
71 . 1 . 1 9 9 DCB HB1 H 1 3.8412 0.003 . 1 . . . . . 9 Dcb HB1 . 50648 1
72 . 1 . 1 9 9 DCB HB2 H 1 3.7792 0.003 . 1 . . . . . 9 Dcb HB2 . 50648 1
73 . 1 . 1 9 9 DCB HNG H 1 8.6612 0.001 . 1 . . . . . 9 Dcb HNG . 50648 1
74 . 1 . 1 10 10 DNE H H 1 8.2942 0.004 . 1 . . . . . 10 DNE H . 50648 1
75 . 1 . 1 10 10 DNE HA H 1 4.1832 0 . 1 . . . . . 10 DNE HA . 50648 1
76 . 1 . 1 10 10 DNE HB2 H 1 1.7422 0.003 . 1 . . . . . 10 DNE HB2 . 50648 1
77 . 1 . 1 10 10 DNE HB3 H 1 1.6392 0.006 . 1 . . . . . 10 DNE HB3 . 50648 1
78 . 1 . 1 10 10 DNE HG2 H 1 1.1632 0.009 . 1 . . . . . 10 DNE HG2 . 50648 1
79 . 1 . 1 10 10 DNE HG3 H 1 1.1632 0.009 . 1 . . . . . 10 DNE HG3 . 50648 1
80 . 1 . 1 10 10 DNE HD2 H 1 1.2142 0.003 . 1 . . . . . 10 DNE HD2 . 50648 1
81 . 1 . 1 10 10 DNE HD3 H 1 1.2142 0.003 . 1 . . . . . 10 DNE HD3 . 50648 1
82 . 1 . 1 10 10 DNE HE1 H 1 0.719 0 . 1 . . . . . 10 DNE HE1 . 50648 1
83 . 1 . 1 10 10 DNE HE2 H 1 0.719 0 . 1 . . . . . 10 DNE HE2 . 50648 1
84 . 1 . 1 10 10 DNE HE3 H 1 0.719 0 . 1 . . . . . 10 DNE HE3 . 50648 1
85 . 1 . 1 11 11 GLN H H 1 8.3762 0.003 . 1 . . . . . 11 GLN H . 50648 1
86 . 1 . 1 11 11 GLN HA H 1 4.3512 0.002 . 1 . . . . . 11 GLN HA . 50648 1
87 . 1 . 1 11 11 GLN HB2 H 1 1.9152 0.003 . 1 . . . . . 11 GLN HB2 . 50648 1
88 . 1 . 1 11 11 GLN HB3 H 1 1.8442 0.006 . 1 . . . . . 11 GLN HB3 . 50648 1
89 . 1 . 1 11 11 GLN HG2 H 1 2.0972 0.004 . 1 . . . . . 11 GLN HG2 . 50648 1
90 . 1 . 1 11 11 GLN HG3 H 1 2.0972 0.004 . 1 . . . . . 11 GLN HG3 . 50648 1
91 . 1 . 1 11 11 GLN HE21 H 1 7.5202 0.002 . 2 . . . . . 11 GLN HE21 . 50648 1
92 . 1 . 1 11 11 GLN HE22 H 1 6.9192 0.001 . 2 . . . . . 11 GLN HE22 . 50648 1
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save_