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 34849
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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' . . . 34849 1
2 '2D 1H-1H TOCSY' . . . 34849 1
3 '2D 1H-13C HSQC' . . . 34849 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 HA H 1 5.229 0.000 . 1 . . . . Z 1 TRP HA . 34849 1
2 . 1 . 1 1 1 TRP HB2 H 1 3.255 0.000 . 2 . . . . Z 1 TRP HB2 . 34849 1
3 . 1 . 1 1 1 TRP HB3 H 1 3.114 0.000 . 2 . . . . Z 1 TRP HB3 . 34849 1
4 . 1 . 1 1 1 TRP HD1 H 1 7.141 0.000 . 1 . . . . Z 1 TRP HD1 . 34849 1
5 . 1 . 1 1 1 TRP HE1 H 1 10.328 0.000 . 1 . . . . Z 1 TRP HE1 . 34849 1
6 . 1 . 1 1 1 TRP HE3 H 1 7.662 0.000 . 1 . . . . Z 1 TRP HE3 . 34849 1
7 . 1 . 1 1 1 TRP HZ2 H 1 7.351 0.000 . 1 . . . . Z 1 TRP HZ2 . 34849 1
8 . 1 . 1 1 1 TRP HZ3 H 1 7.052 0.000 . 1 . . . . Z 1 TRP HZ3 . 34849 1
9 . 1 . 1 1 1 TRP HH2 H 1 7.119 0.000 . 1 . . . . Z 1 TRP HH2 . 34849 1
10 . 1 . 1 2 2 MVA HA H 1 4.096 0.000 . 1 . . . . Z 2 MVA HA . 34849 1
11 . 1 . 1 2 2 MVA HB H 1 2.125 0.000 . 1 . . . . Z 2 MVA HB . 34849 1
12 . 1 . 1 2 2 MVA HG11 H 1 0.714 0.000 . 2 . . . . Z 2 MVA HG11 . 34849 1
13 . 1 . 1 2 2 MVA HG12 H 1 0.714 0.000 . 2 . . . . Z 2 MVA HG12 . 34849 1
14 . 1 . 1 2 2 MVA HG13 H 1 0.714 0.000 . 2 . . . . Z 2 MVA HG13 . 34849 1
15 . 1 . 1 2 2 MVA HG21 H 1 0.387 0.000 . 2 . . . . Z 2 MVA HG21 . 34849 1
16 . 1 . 1 2 2 MVA HG22 H 1 0.387 0.000 . 2 . . . . Z 2 MVA HG22 . 34849 1
17 . 1 . 1 2 2 MVA HG23 H 1 0.387 0.000 . 2 . . . . Z 2 MVA HG23 . 34849 1
18 . 1 . 1 2 2 MVA HN1 H 1 2.837 0.000 . 1 . . . . Z 2 MVA HN1 . 34849 1
19 . 1 . 1 2 2 MVA HN2 H 1 2.837 0.000 . 1 . . . . Z 2 MVA HN2 . 34849 1
20 . 1 . 1 2 2 MVA HN3 H 1 2.837 0.000 . 1 . . . . Z 2 MVA HN3 . 34849 1
21 . 1 . 1 3 3 ILE HA H 1 4.653 0.000 . 1 . . . . Z 3 ILE HA . 34849 1
22 . 1 . 1 3 3 ILE HB H 1 2.066 0.000 . 1 . . . . Z 3 ILE HB . 34849 1
23 . 1 . 1 3 3 ILE HG12 H 1 1.481 0.000 . 2 . . . . Z 3 ILE HG12 . 34849 1
24 . 1 . 1 3 3 ILE HG21 H 1 0.863 0.000 . 1 . . . . Z 3 ILE HG21 . 34849 1
25 . 1 . 1 3 3 ILE HG22 H 1 0.863 0.000 . 1 . . . . Z 3 ILE HG22 . 34849 1
26 . 1 . 1 3 3 ILE HG23 H 1 0.863 0.000 . 1 . . . . Z 3 ILE HG23 . 34849 1
27 . 1 . 1 3 3 ILE HD11 H 1 0.816 0.000 . 1 . . . . Z 3 ILE HD11 . 34849 1
28 . 1 . 1 3 3 ILE HD12 H 1 0.816 0.000 . 1 . . . . Z 3 ILE HD12 . 34849 1
29 . 1 . 1 3 3 ILE HD13 H 1 0.816 0.000 . 1 . . . . Z 3 ILE HD13 . 34849 1
30 . 1 . 1 4 4 MVA HA H 1 5.178 0.000 . 1 . . . . Z 4 MVA HA . 34849 1
31 . 1 . 1 4 4 MVA HB H 1 2.305 0.000 . 1 . . . . Z 4 MVA HB . 34849 1
32 . 1 . 1 4 4 MVA HG11 H 1 0.755 0.000 . 2 . . . . Z 4 MVA HG11 . 34849 1
33 . 1 . 1 4 4 MVA HG12 H 1 0.755 0.000 . 2 . . . . Z 4 MVA HG12 . 34849 1
34 . 1 . 1 4 4 MVA HG13 H 1 0.755 0.000 . 2 . . . . Z 4 MVA HG13 . 34849 1
35 . 1 . 1 4 4 MVA HG21 H 1 0.904 0.000 . 2 . . . . Z 4 MVA HG21 . 34849 1
36 . 1 . 1 4 4 MVA HG22 H 1 0.904 0.000 . 2 . . . . Z 4 MVA HG22 . 34849 1
37 . 1 . 1 4 4 MVA HG23 H 1 0.904 0.000 . 2 . . . . Z 4 MVA HG23 . 34849 1
38 . 1 . 1 4 4 MVA HN1 H 1 3.098 0.000 . 1 . . . . Z 4 MVA HN1 . 34849 1
39 . 1 . 1 4 4 MVA HN2 H 1 3.098 0.000 . 1 . . . . Z 4 MVA HN2 . 34849 1
40 . 1 . 1 4 4 MVA HN3 H 1 3.098 0.000 . 1 . . . . Z 4 MVA HN3 . 34849 1
41 . 1 . 1 5 5 MVA HA H 1 5.166 0.000 . 1 . . . . Z 5 MVA HA . 34849 1
42 . 1 . 1 5 5 MVA HB H 1 2.225 0.000 . 1 . . . . Z 5 MVA HB . 34849 1
43 . 1 . 1 5 5 MVA HN1 H 1 2.896 0.000 . 1 . . . . Z 5 MVA HN1 . 34849 1
44 . 1 . 1 5 5 MVA HN2 H 1 2.896 0.000 . 1 . . . . Z 5 MVA HN2 . 34849 1
45 . 1 . 1 5 5 MVA HN3 H 1 2.896 0.000 . 1 . . . . Z 5 MVA HN3 . 34849 1
46 . 1 . 1 6 6 SAR HA2 H 1 4.827 0.000 . 2 . . . . Z 6 SAR HA2 . 34849 1
47 . 1 . 1 6 6 SAR HA3 H 1 3.692 0.000 . 2 . . . . Z 6 SAR HA3 . 34849 1
48 . 1 . 1 6 6 SAR HN1 H 1 3.055 0.000 . 1 . . . . Z 6 SAR HN1 . 34849 1
49 . 1 . 1 6 6 SAR HN2 H 1 3.055 0.000 . 1 . . . . Z 6 SAR HN2 . 34849 1
50 . 1 . 1 6 6 SAR HN3 H 1 3.055 0.000 . 1 . . . . Z 6 SAR HN3 . 34849 1
51 . 1 . 1 7 7 MVA HA H 1 5.067 0.000 . 1 . . . . Z 7 MVA HA . 34849 1
52 . 1 . 1 7 7 MVA HB H 1 2.324 0.000 . 1 . . . . Z 7 MVA HB . 34849 1
53 . 1 . 1 7 7 MVA HG11 H 1 0.808 0.000 . 2 . . . . Z 7 MVA HG11 . 34849 1
54 . 1 . 1 7 7 MVA HG12 H 1 0.808 0.000 . 2 . . . . Z 7 MVA HG12 . 34849 1
55 . 1 . 1 7 7 MVA HG13 H 1 0.808 0.000 . 2 . . . . Z 7 MVA HG13 . 34849 1
56 . 1 . 1 7 7 MVA HG21 H 1 0.910 0.000 . 2 . . . . Z 7 MVA HG21 . 34849 1
57 . 1 . 1 7 7 MVA HG22 H 1 0.910 0.000 . 2 . . . . Z 7 MVA HG22 . 34849 1
58 . 1 . 1 7 7 MVA HG23 H 1 0.910 0.000 . 2 . . . . Z 7 MVA HG23 . 34849 1
59 . 1 . 1 7 7 MVA HN1 H 1 2.899 0.000 . 1 . . . . Z 7 MVA HN1 . 34849 1
60 . 1 . 1 7 7 MVA HN2 H 1 2.899 0.000 . 1 . . . . Z 7 MVA HN2 . 34849 1
61 . 1 . 1 7 7 MVA HN3 H 1 2.899 0.000 . 1 . . . . Z 7 MVA HN3 . 34849 1
62 . 1 . 1 8 8 IML HA H 1 5.104 0.000 . 1 . . . . Z 8 IML HA . 34849 1
63 . 1 . 1 8 8 IML HB H 1 2.127 0.000 . 1 . . . . Z 8 IML HB . 34849 1
64 . 1 . 1 8 8 IML HD12 H 1 0.866 0.000 . 1 . . . . Z 8 IML HD12 . 34849 1
65 . 1 . 1 8 8 IML HG12 H 1 1.285 0.000 . 2 . . . . Z 8 IML HG12 . 34849 1
66 . 1 . 1 8 8 IML HG22 H 1 0.917 0.000 . 1 . . . . Z 8 IML HG22 . 34849 1
67 . 1 . 1 8 8 IML HN1 H 1 2.778 0.000 . 1 . . . . Z 8 IML HN1 . 34849 1
68 . 1 . 1 8 8 IML HN2 H 1 2.778 0.000 . 1 . . . . Z 8 IML HN2 . 34849 1
69 . 1 . 1 8 8 IML HN3 H 1 2.778 0.000 . 1 . . . . Z 8 IML HN3 . 34849 1
70 . 1 . 1 9 9 SAR HA2 H 1 3.515 0.000 . 2 . . . . Z 9 SAR HA2 . 34849 1
71 . 1 . 1 9 9 SAR HA3 H 1 4.645 0.000 . 2 . . . . Z 9 SAR HA3 . 34849 1
72 . 1 . 1 9 9 SAR HN1 H 1 3.001 0.000 . 1 . . . . Z 9 SAR HN1 . 34849 1
73 . 1 . 1 9 9 SAR HN2 H 1 3.001 0.000 . 1 . . . . Z 9 SAR HN2 . 34849 1
74 . 1 . 1 9 9 SAR HN3 H 1 3.001 0.000 . 1 . . . . Z 9 SAR HN3 . 34849 1
75 . 1 . 1 10 10 VAL HA H 1 4.639 0.000 . 1 . . . . Z 10 VAL HA . 34849 1
76 . 1 . 1 10 10 VAL HB H 1 1.983 0.000 . 1 . . . . Z 10 VAL HB . 34849 1
77 . 1 . 1 10 10 VAL HG11 H 1 0.980 0.000 . 2 . . . . Z 10 VAL HG11 . 34849 1
78 . 1 . 1 10 10 VAL HG12 H 1 0.980 0.000 . 2 . . . . Z 10 VAL HG12 . 34849 1
79 . 1 . 1 10 10 VAL HG13 H 1 0.980 0.000 . 2 . . . . Z 10 VAL HG13 . 34849 1
80 . 1 . 1 10 10 VAL HG21 H 1 0.907 0.000 . 2 . . . . Z 10 VAL HG21 . 34849 1
81 . 1 . 1 10 10 VAL HG22 H 1 0.907 0.000 . 2 . . . . Z 10 VAL HG22 . 34849 1
82 . 1 . 1 10 10 VAL HG23 H 1 0.907 0.000 . 2 . . . . Z 10 VAL HG23 . 34849 1
83 . 1 . 1 11 11 IML HA H 1 5.168 0.000 . 1 . . . . Z 11 IML HA . 34849 1
84 . 1 . 1 11 11 IML HB H 1 2.073 0.000 . 1 . . . . Z 11 IML HB . 34849 1
85 . 1 . 1 11 11 IML HG12 H 1 2.073 0.000 . 2 . . . . Z 11 IML HG12 . 34849 1
86 . 1 . 1 11 11 IML HN1 H 1 3.107 0.000 . 1 . . . . Z 11 IML HN1 . 34849 1
87 . 1 . 1 11 11 IML HN2 H 1 3.107 0.000 . 1 . . . . Z 11 IML HN2 . 34849 1
88 . 1 . 1 11 11 IML HN3 H 1 3.107 0.000 . 1 . . . . Z 11 IML HN3 . 34849 1
89 . 1 . 1 12 12 SAR HA2 H 1 3.528 0.000 . 2 . . . . Z 12 SAR HA2 . 34849 1
90 . 1 . 1 12 12 SAR HA3 H 1 4.452 0.000 . 2 . . . . Z 12 SAR HA3 . 34849 1
91 . 1 . 1 12 12 SAR HN1 H 1 2.846 0.000 . 1 . . . . Z 12 SAR HN1 . 34849 1
92 . 1 . 1 12 12 SAR HN2 H 1 2.846 0.000 . 1 . . . . Z 12 SAR HN2 . 34849 1
93 . 1 . 1 12 12 SAR HN3 H 1 2.846 0.000 . 1 . . . . Z 12 SAR HN3 . 34849 1
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save_