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 34846
_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 0.015
_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' . . . 34846 1
2 '2D 1H-1H TOCSY' . . . 34846 1
3 '2D 1H-13C HSQC' . . . 34846 1
4 '2D 1H-13C HMBC' . . . 34846 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 BMT HA H 1 5.532 0.000 . 1 . . . . Z 1 BMT HA . 34846 1
2 . 1 . 1 1 1 BMT HB H 1 3.838 0.000 . 1 . . . . Z 1 BMT HB . 34846 1
3 . 1 . 1 1 1 BMT HD11 H 1 0.758 0.000 . 1 . . . . Z 1 BMT HD11 . 34846 1
4 . 1 . 1 1 1 BMT HD12 H 1 0.758 0.000 . 1 . . . . Z 1 BMT HD12 . 34846 1
5 . 1 . 1 1 1 BMT HD13 H 1 0.758 0.000 . 1 . . . . Z 1 BMT HD13 . 34846 1
6 . 1 . 1 1 1 BMT HD22 H 1 2.456 0.000 . 2 . . . . Z 1 BMT HD22 . 34846 1
7 . 1 . 1 1 1 BMT HD23 H 1 1.685 0.000 . 2 . . . . Z 1 BMT HD23 . 34846 1
8 . 1 . 1 1 1 BMT HE H 1 5.391 0.000 . 1 . . . . Z 1 BMT HE . 34846 1
9 . 1 . 1 1 1 BMT HH1 H 1 1.666 0.000 . 1 . . . . Z 1 BMT HH1 . 34846 1
10 . 1 . 1 1 1 BMT HH2 H 1 1.666 0.000 . 1 . . . . Z 1 BMT HH2 . 34846 1
11 . 1 . 1 1 1 BMT HH3 H 1 1.666 0.000 . 1 . . . . Z 1 BMT HH3 . 34846 1
12 . 1 . 1 1 1 BMT HN1 H 1 3.565 0.000 . 1 . . . . Z 1 BMT HN1 . 34846 1
13 . 1 . 1 1 1 BMT HN2 H 1 3.565 0.000 . 1 . . . . Z 1 BMT HN2 . 34846 1
14 . 1 . 1 1 1 BMT HN3 H 1 3.565 0.000 . 1 . . . . Z 1 BMT HN3 . 34846 1
15 . 1 . 1 1 1 BMT HZ H 1 5.391 0.000 . 1 . . . . Z 1 BMT HZ . 34846 1
16 . 1 . 1 2 2 ABA H H 1 8.155 0.000 . 1 . . . . Z 2 ABA H . 34846 1
17 . 1 . 1 2 2 ABA HA H 1 5.074 0.000 . 1 . . . . Z 2 ABA HA . 34846 1
18 . 1 . 1 2 2 ABA HB2 H 1 1.748 0.000 . 2 . . . . Z 2 ABA HB2 . 34846 1
19 . 1 . 1 2 2 ABA HB3 H 1 1.745 0.000 . 2 . . . . Z 2 ABA HB3 . 34846 1
20 . 1 . 1 2 2 ABA HG3 H 1 0.909 0.000 . 1 . . . . Z 2 ABA HG3 . 34846 1
21 . 1 . 1 3 3 SAR HA2 H 1 4.756 0.000 . 2 . . . . Z 3 SAR HA2 . 34846 1
22 . 1 . 1 3 3 SAR HA3 H 1 3.223 0.000 . 2 . . . . Z 3 SAR HA3 . 34846 1
23 . 1 . 1 3 3 SAR HN1 H 1 3.444 0.000 . 1 . . . . Z 3 SAR HN1 . 34846 1
24 . 1 . 1 3 3 SAR HN2 H 1 3.444 0.000 . 1 . . . . Z 3 SAR HN2 . 34846 1
25 . 1 . 1 3 3 SAR HN3 H 1 3.444 0.000 . 1 . . . . Z 3 SAR HN3 . 34846 1
26 . 1 . 1 4 4 MLE HA H 1 5.401 0.000 . 1 . . . . Z 4 MLE HA . 34846 1
27 . 1 . 1 4 4 MLE HB2 H 1 2.047 0.000 . 2 . . . . Z 4 MLE HB2 . 34846 1
28 . 1 . 1 4 4 MLE HB3 H 1 1.671 0.000 . 2 . . . . Z 4 MLE HB3 . 34846 1
29 . 1 . 1 4 4 MLE HD11 H 1 0.903 0.000 . 2 . . . . Z 4 MLE HD11 . 34846 1
30 . 1 . 1 4 4 MLE HD12 H 1 0.903 0.000 . 2 . . . . Z 4 MLE HD12 . 34846 1
31 . 1 . 1 4 4 MLE HD13 H 1 0.903 0.000 . 2 . . . . Z 4 MLE HD13 . 34846 1
32 . 1 . 1 4 4 MLE HD21 H 1 0.989 0.000 . 2 . . . . Z 4 MLE HD21 . 34846 1
33 . 1 . 1 4 4 MLE HD22 H 1 0.989 0.000 . 2 . . . . Z 4 MLE HD22 . 34846 1
34 . 1 . 1 4 4 MLE HD23 H 1 0.989 0.000 . 2 . . . . Z 4 MLE HD23 . 34846 1
35 . 1 . 1 4 4 MLE HG H 1 1.453 0.000 . 1 . . . . Z 4 MLE HG . 34846 1
36 . 1 . 1 4 4 MLE HN1 H 1 3.147 0.000 . 1 . . . . Z 4 MLE HN1 . 34846 1
37 . 1 . 1 4 4 MLE HN2 H 1 3.147 0.000 . 1 . . . . Z 4 MLE HN2 . 34846 1
38 . 1 . 1 4 4 MLE HN3 H 1 3.147 0.000 . 1 . . . . Z 4 MLE HN3 . 34846 1
39 . 1 . 1 5 5 VAL H H 1 7.548 0.000 . 1 . . . . Z 5 VAL H . 34846 1
40 . 1 . 1 5 5 VAL HA H 1 4.692 0.000 . 1 . . . . Z 5 VAL HA . 34846 1
41 . 1 . 1 5 5 VAL HB H 1 2.485 0.000 . 1 . . . . Z 5 VAL HB . 34846 1
42 . 1 . 1 5 5 VAL HG11 H 1 1.110 0.000 . 2 . . . . Z 5 VAL HG11 . 34846 1
43 . 1 . 1 5 5 VAL HG12 H 1 1.110 0.000 . 2 . . . . Z 5 VAL HG12 . 34846 1
44 . 1 . 1 5 5 VAL HG13 H 1 1.110 0.000 . 2 . . . . Z 5 VAL HG13 . 34846 1
45 . 1 . 1 5 5 VAL HG21 H 1 0.920 0.000 . 2 . . . . Z 5 VAL HG21 . 34846 1
46 . 1 . 1 5 5 VAL HG22 H 1 0.920 0.000 . 2 . . . . Z 5 VAL HG22 . 34846 1
47 . 1 . 1 5 5 VAL HG23 H 1 0.920 0.000 . 2 . . . . Z 5 VAL HG23 . 34846 1
48 . 1 . 1 6 6 MLE HA H 1 5.028 0.000 . 1 . . . . Z 6 MLE HA . 34846 1
49 . 1 . 1 6 6 MLE HB2 H 1 1.391 0.000 . 2 . . . . Z 6 MLE HB2 . 34846 1
50 . 1 . 1 6 6 MLE HB3 H 1 2.132 0.000 . 2 . . . . Z 6 MLE HB3 . 34846 1
51 . 1 . 1 6 6 MLE HD11 H 1 0.997 0.000 . 2 . . . . Z 6 MLE HD11 . 34846 1
52 . 1 . 1 6 6 MLE HD12 H 1 0.997 0.000 . 2 . . . . Z 6 MLE HD12 . 34846 1
53 . 1 . 1 6 6 MLE HD13 H 1 0.997 0.000 . 2 . . . . Z 6 MLE HD13 . 34846 1
54 . 1 . 1 6 6 MLE HD21 H 1 0.859 0.000 . 2 . . . . Z 6 MLE HD21 . 34846 1
55 . 1 . 1 6 6 MLE HD22 H 1 0.859 0.000 . 2 . . . . Z 6 MLE HD22 . 34846 1
56 . 1 . 1 6 6 MLE HD23 H 1 0.859 0.000 . 2 . . . . Z 6 MLE HD23 . 34846 1
57 . 1 . 1 6 6 MLE HG H 1 1.849 0.000 . 1 . . . . Z 6 MLE HG . 34846 1
58 . 1 . 1 6 6 MLE HN1 H 1 3.310 0.000 . 1 . . . . Z 6 MLE HN1 . 34846 1
59 . 1 . 1 6 6 MLE HN2 H 1 3.310 0.000 . 1 . . . . Z 6 MLE HN2 . 34846 1
60 . 1 . 1 6 6 MLE HN3 H 1 3.310 0.000 . 1 . . . . Z 6 MLE HN3 . 34846 1
61 . 1 . 1 7 7 ALA H H 1 7.821 0.000 . 1 . . . . Z 7 ALA H . 34846 1
62 . 1 . 1 7 7 ALA HA H 1 4.575 0.000 . 1 . . . . Z 7 ALA HA . 34846 1
63 . 1 . 1 7 7 ALA HB1 H 1 1.393 0.000 . 1 . . . . Z 7 ALA HB1 . 34846 1
64 . 1 . 1 7 7 ALA HB2 H 1 1.393 0.000 . 1 . . . . Z 7 ALA HB2 . 34846 1
65 . 1 . 1 7 7 ALA HB3 H 1 1.393 0.000 . 1 . . . . Z 7 ALA HB3 . 34846 1
66 . 1 . 1 8 8 DAL H H 1 7.270 0.000 . 1 . . . . Z 8 DAL H . 34846 1
67 . 1 . 1 8 8 DAL HA H 1 4.871 0.000 . 1 . . . . Z 8 DAL HA . 34846 1
68 . 1 . 1 8 8 DAL HB3 H 1 1.283 0.000 . 1 . . . . Z 8 DAL HB3 . 34846 1
69 . 1 . 1 9 9 MLE HA H 1 5.740 0.000 . 1 . . . . Z 9 MLE HA . 34846 1
70 . 1 . 1 9 9 MLE HB2 H 1 2.214 0.000 . 2 . . . . Z 9 MLE HB2 . 34846 1
71 . 1 . 1 9 9 MLE HB3 H 1 1.236 0.000 . 2 . . . . Z 9 MLE HB3 . 34846 1
72 . 1 . 1 9 9 MLE HD11 H 1 1.057 0.000 . 2 . . . . Z 9 MLE HD11 . 34846 1
73 . 1 . 1 9 9 MLE HD12 H 1 1.057 0.000 . 2 . . . . Z 9 MLE HD12 . 34846 1
74 . 1 . 1 9 9 MLE HD13 H 1 1.057 0.000 . 2 . . . . Z 9 MLE HD13 . 34846 1
75 . 1 . 1 9 9 MLE HD21 H 1 0.908 0.000 . 2 . . . . Z 9 MLE HD21 . 34846 1
76 . 1 . 1 9 9 MLE HD22 H 1 0.908 0.000 . 2 . . . . Z 9 MLE HD22 . 34846 1
77 . 1 . 1 9 9 MLE HD23 H 1 0.908 0.000 . 2 . . . . Z 9 MLE HD23 . 34846 1
78 . 1 . 1 9 9 MLE HG H 1 1.348 0.000 . 1 . . . . Z 9 MLE HG . 34846 1
79 . 1 . 1 9 9 MLE HN1 H 1 3.160 0.000 . 1 . . . . Z 9 MLE HN1 . 34846 1
80 . 1 . 1 9 9 MLE HN2 H 1 3.160 0.000 . 1 . . . . Z 9 MLE HN2 . 34846 1
81 . 1 . 1 9 9 MLE HN3 H 1 3.160 0.000 . 1 . . . . Z 9 MLE HN3 . 34846 1
82 . 1 . 1 10 10 MLE HA H 1 5.132 0.000 . 1 . . . . Z 10 MLE HA . 34846 1
83 . 1 . 1 10 10 MLE HB2 H 1 2.093 0.000 . 2 . . . . Z 10 MLE HB2 . 34846 1
84 . 1 . 1 10 10 MLE HB3 H 1 1.328 0.000 . 2 . . . . Z 10 MLE HB3 . 34846 1
85 . 1 . 1 10 10 MLE HD11 H 1 1.060 0.000 . 2 . . . . Z 10 MLE HD11 . 34846 1
86 . 1 . 1 10 10 MLE HD12 H 1 1.060 0.000 . 2 . . . . Z 10 MLE HD12 . 34846 1
87 . 1 . 1 10 10 MLE HD13 H 1 1.060 0.000 . 2 . . . . Z 10 MLE HD13 . 34846 1
88 . 1 . 1 10 10 MLE HG H 1 1.517 0.000 . 1 . . . . Z 10 MLE HG . 34846 1
89 . 1 . 1 10 10 MLE HN1 H 1 2.731 0.000 . 1 . . . . Z 10 MLE HN1 . 34846 1
90 . 1 . 1 10 10 MLE HN2 H 1 2.731 0.000 . 1 . . . . Z 10 MLE HN2 . 34846 1
91 . 1 . 1 10 10 MLE HN3 H 1 2.731 0.000 . 1 . . . . Z 10 MLE HN3 . 34846 1
92 . 1 . 1 11 11 MVA HA H 1 5.140 0.000 . 1 . . . . Z 11 MVA HA . 34846 1
93 . 1 . 1 11 11 MVA HB H 1 2.188 0.000 . 1 . . . . Z 11 MVA HB . 34846 1
94 . 1 . 1 11 11 MVA HG11 H 1 1.051 0.000 . 2 . . . . Z 11 MVA HG11 . 34846 1
95 . 1 . 1 11 11 MVA HG12 H 1 1.051 0.000 . 2 . . . . Z 11 MVA HG12 . 34846 1
96 . 1 . 1 11 11 MVA HG13 H 1 1.051 0.000 . 2 . . . . Z 11 MVA HG13 . 34846 1
97 . 1 . 1 11 11 MVA HG21 H 1 0.890 0.000 . 2 . . . . Z 11 MVA HG21 . 34846 1
98 . 1 . 1 11 11 MVA HG22 H 1 0.890 0.000 . 2 . . . . Z 11 MVA HG22 . 34846 1
99 . 1 . 1 11 11 MVA HG23 H 1 0.890 0.000 . 2 . . . . Z 11 MVA HG23 . 34846 1
100 . 1 . 1 11 11 MVA HN1 H 1 2.748 0.000 . 1 . . . . Z 11 MVA HN1 . 34846 1
101 . 1 . 1 11 11 MVA HN2 H 1 2.748 0.000 . 1 . . . . Z 11 MVA HN2 . 34846 1
102 . 1 . 1 11 11 MVA HN3 H 1 2.748 0.000 . 1 . . . . Z 11 MVA HN3 . 34846 1
stop_
save_