Content for NMR-STAR saveframe, "chem_shift_set_1"
save_chem_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_set_1
_Assigned_chem_shift_list.Entry_ID 4213
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_ref
_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 $sample_1 . 4213 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 LML HA H 1 3.398 0.005 . 1 . . . . . . . . 4213 1
2 . 1 1 1 1 LML HB2 H 1 1.851 0.008 . 2 . . . . . . . . 4213 1
3 . 1 1 1 1 LML HB3 H 1 1.585 0.007 . 2 . . . . . . . . 4213 1
4 . 1 1 1 1 LML HG H 1 1.444 0.008 . 1 . . . . . . . . 4213 1
5 . 1 1 1 1 LML HD1 H 1 0.896 0.005 . 1 . . . . . . . . 4213 1
6 . 1 1 1 1 LML HD2 H 1 0.896 0.005 . 1 . . . . . . . . 4213 1
7 . 1 1 2 2 DGN H H 1 8.766 0.006 . 1 . . . . . . . . 4213 1
8 . 1 1 2 2 DGN HA H 1 4.384 0.008 . 1 . . . . . . . . 4213 1
9 . 1 1 2 2 DGN HB2 H 1 2.395 0.005 . 2 . . . . . . . . 4213 1
10 . 1 1 2 2 DGN HB3 H 1 2.260 0.011 . 2 . . . . . . . . 4213 1
11 . 1 1 2 2 DGN HG2 H 1 1.938 0.007 . 1 . . . . . . . . 4213 1
12 . 1 1 2 2 DGN HG3 H 1 1.938 0.007 . 1 . . . . . . . . 4213 1
13 . 1 1 3 3 DAR H H 1 8.840 0.006 . 1 . . . . . . . . 4213 1
14 . 1 1 3 3 DAR HA H 1 4.209 0.007 . 1 . . . . . . . . 4213 1
15 . 1 1 3 3 DAR HB2 H 1 1.872 0.010 . 2 . . . . . . . . 4213 1
16 . 1 1 3 3 DAR HB3 H 1 1.802 0.007 . 2 . . . . . . . . 4213 1
17 . 1 1 3 3 DAR HG2 H 1 1.666 0.008 . 1 . . . . . . . . 4213 1
18 . 1 1 3 3 DAR HG3 H 1 1.666 0.008 . 1 . . . . . . . . 4213 1
19 . 1 1 3 3 DAR HD2 H 1 3.187 0.006 . 1 . . . . . . . . 4213 1
20 . 1 1 3 3 DAR HD3 H 1 3.187 0.006 . 1 . . . . . . . . 4213 1
21 . 1 1 3 3 DAR HE H 1 7.831 0.005 . 1 . . . . . . . . 4213 1
22 . 1 1 4 4 DAL H H 1 8.221 0.004 . 1 . . . . . . . . 4213 1
23 . 1 1 4 4 DAL HA H 1 4.281 0.001 . 1 . . . . . . . . 4213 1
24 . 1 1 4 4 DAL HB H 1 1.373 0.004 . 1 . . . . . . . . 4213 1
25 . 1 1 5 5 DVA H H 1 8.135 0.006 . 1 . . . . . . . . 4213 1
26 . 1 1 5 5 DVA HA H 1 4.052 0.007 . 1 . . . . . . . . 4213 1
27 . 1 1 5 5 DVA HB H 1 2.040 0.012 . 1 . . . . . . . . 4213 1
28 . 1 1 5 5 DVA HG1 H 1 0.955 0.005 . 1 . . . . . . . . 4213 1
29 . 1 1 5 5 DVA HG2 H 1 0.918 0.014 . 1 . . . . . . . . 4213 1
30 . 1 1 6 6 DAR H H 1 8.551 0.006 . 1 . . . . . . . . 4213 1
31 . 1 1 6 6 DAR HA H 1 4.643 0.007 . 1 . . . . . . . . 4213 1
32 . 1 1 6 6 DAR HB2 H 1 1.841 0.008 . 1 . . . . . . . . 4213 1
33 . 1 1 6 6 DAR HB3 H 1 1.841 0.008 . 1 . . . . . . . . 4213 1
34 . 1 1 6 6 DAR HG2 H 1 1.729 0.005 . 2 . . . . . . . . 4213 1
35 . 1 1 6 6 DAR HG3 H 1 1.666 0.005 . 2 . . . . . . . . 4213 1
36 . 1 1 6 6 DAR HD2 H 1 3.208 0.007 . 1 . . . . . . . . 4213 1
37 . 1 1 6 6 DAR HD3 H 1 3.208 0.007 . 1 . . . . . . . . 4213 1
38 . 1 1 6 6 DAR HE H 1 7.256 0.005 . 1 . . . . . . . . 4213 1
39 . 1 1 7 7 DPR HA H 1 4.382 0.005 . 1 . . . . . . . . 4213 1
40 . 1 1 7 7 DPR HB2 H 1 2.307 0.015 . 2 . . . . . . . . 4213 1
41 . 1 1 7 7 DPR HB3 H 1 1.885 0.008 . 2 . . . . . . . . 4213 1
42 . 1 1 7 7 DPR HG2 H 1 2.018 0.008 . 1 . . . . . . . . 4213 1
43 . 1 1 7 7 DPR HG3 H 1 2.018 0.008 . 1 . . . . . . . . 4213 1
44 . 1 1 7 7 DPR HD2 H 1 3.838 0.008 . 2 . . . . . . . . 4213 1
45 . 1 1 7 7 DPR HD3 H 1 3.639 0.009 . 2 . . . . . . . . 4213 1
46 . 1 1 8 8 DAL H H 1 8.573 0.004 . 1 . . . . . . . . 4213 1
47 . 1 1 8 8 DAL HA H 1 4.281 0.002 . 1 . . . . . . . . 4213 1
48 . 1 1 8 8 DAL HB H 1 1.389 0.006 . 1 . . . . . . . . 4213 1
49 . 1 1 9 9 DLE H H 1 8.448 0.005 . 1 . . . . . . . . 4213 1
50 . 1 1 9 9 DLE HA H 1 4.380 0.005 . 1 . . . . . . . . 4213 1
51 . 1 1 9 9 DLE HB2 H 1 1.676 0.015 . 1 . . . . . . . . 4213 1
52 . 1 1 9 9 DLE HB3 H 1 1.676 0.015 . 1 . . . . . . . . 4213 1
53 . 1 1 9 9 DLE HG H 1 1.635 0.005 . 1 . . . . . . . . 4213 1
54 . 1 1 9 9 DLE HD1 H 1 0.926 0.005 . 1 . . . . . . . . 4213 1
55 . 1 1 9 9 DLE HD2 H 1 0.873 0.008 . 1 . . . . . . . . 4213 1
56 . 1 1 10 10 DSN H H 1 8.442 0.014 . 1 . . . . . . . . 4213 1
57 . 1 1 10 10 DSN HA H 1 4.429 0.012 . 1 . . . . . . . . 4213 1
58 . 1 1 10 10 DSN HB2 H 1 3.949 0.017 . 2 . . . . . . . . 4213 1
59 . 1 1 10 10 DSN HB3 H 1 3.868 0.012 . 2 . . . . . . . . 4213 1
60 . 1 1 10 10 DSN HG H 1 1.454 0.000 . 1 . . . . . . . . 4213 1
61 . 1 1 11 11 GLY H H 1 8.539 0.006 . 1 . . . . . . . . 4213 1
62 . 1 1 11 11 GLY HA2 H 1 3.933 0.002 . 1 . . . . . . . . 4213 1
63 . 1 1 11 11 GLY HA3 H 1 3.933 0.002 . 1 . . . . . . . . 4213 1
64 . 1 1 12 12 DPN H H 1 8.306 0.006 . 1 . . . . . . . . 4213 1
65 . 1 1 12 12 DPN HA H 1 4.604 0.007 . 1 . . . . . . . . 4213 1
66 . 1 1 12 12 DPN HB2 H 1 3.114 0.013 . 2 . . . . . . . . 4213 1
67 . 1 1 12 12 DPN HB3 H 1 3.049 0.008 . 2 . . . . . . . . 4213 1
68 . 1 1 12 12 DPN HD1 H 1 7.259 0.003 . 1 . . . . . . . . 4213 1
69 . 1 1 12 12 DPN HE1 H 1 7.359 0.003 . 1 . . . . . . . . 4213 1
70 . 1 1 12 12 DPN HE2 H 1 7.359 0.003 . 1 . . . . . . . . 4213 1
71 . 1 1 12 12 DPN HD2 H 1 7.259 0.003 . 1 . . . . . . . . 4213 1
72 . 1 1 13 13 DAS H H 1 8.396 0.006 . 1 . . . . . . . . 4213 1
73 . 1 1 13 13 DAS HA H 1 4.529 0.008 . 1 . . . . . . . . 4213 1
74 . 1 1 13 13 DAS HB2 H 1 2.672 0.003 . 1 . . . . . . . . 4213 1
75 . 1 1 13 13 DAS HB3 H 1 2.672 0.003 . 1 . . . . . . . . 4213 1
76 . 1 1 14 14 GLY H H 1 7.954 0.007 . 1 . . . . . . . . 4213 1
77 . 1 1 14 14 GLY HA2 H 1 3.906 0.000 . 2 . . . . . . . . 4213 1
78 . 1 1 14 14 GLY HA3 H 1 3.837 0.001 . 2 . . . . . . . . 4213 1
79 . 1 1 15 15 DAR H H 1 8.128 0.003 . 1 . . . . . . . . 4213 1
80 . 1 1 15 15 DAR HA H 1 4.334 0.007 . 1 . . . . . . . . 4213 1
81 . 1 1 15 15 DAR HB2 H 1 1.830 0.008 . 1 . . . . . . . . 4213 1
82 . 1 1 15 15 DAR HB3 H 1 1.830 0.008 . 1 . . . . . . . . 4213 1
83 . 1 1 15 15 DAR HG2 H 1 1.605 0.007 . 1 . . . . . . . . 4213 1
84 . 1 1 15 15 DAR HG3 H 1 1.605 0.007 . 1 . . . . . . . . 4213 1
85 . 1 1 15 15 DAR HD2 H 1 3.179 0.009 . 1 . . . . . . . . 4213 1
86 . 1 1 15 15 DAR HD3 H 1 3.179 0.009 . 1 . . . . . . . . 4213 1
87 . 1 1 15 15 DAR HE H 1 7.412 0.006 . 1 . . . . . . . . 4213 1
88 . 1 1 16 16 DVA H H 1 8.358 0.006 . 1 . . . . . . . . 4213 1
89 . 1 1 16 16 DVA HA H 1 4.102 0.004 . 1 . . . . . . . . 4213 1
90 . 1 1 16 16 DVA HB H 1 2.086 0.014 . 1 . . . . . . . . 4213 1
91 . 1 1 16 16 DVA HG1 H 1 0.983 0.001 . 1 . . . . . . . . 4213 1
92 . 1 1 16 16 DVA HG2 H 1 0.961 0.010 . 1 . . . . . . . . 4213 1
93 . 1 1 17 17 GLY H H 1 8.693 0.006 . 1 . . . . . . . . 4213 1
94 . 1 1 17 17 GLY HA2 H 1 4.049 0.012 . 2 . . . . . . . . 4213 1
95 . 1 1 17 17 GLY HA3 H 1 3.978 0.002 . 2 . . . . . . . . 4213 1
96 . 1 1 18 18 DSN H H 1 8.453 0.005 . 1 . . . . . . . . 4213 1
97 . 1 1 18 18 DSN HA H 1 4.415 0.010 . 1 . . . . . . . . 4213 1
98 . 1 1 18 18 DSN HB2 H 1 3.929 0.001 . 2 . . . . . . . . 4213 1
99 . 1 1 18 18 DSN HB3 H 1 3.875 0.006 . 2 . . . . . . . . 4213 1
100 . 1 1 19 19 GLY H H 1 8.670 0.006 . 1 . . . . . . . . 4213 1
101 . 1 1 19 19 GLY HA2 H 1 3.923 0.012 . 1 . . . . . . . . 4213 1
102 . 1 1 19 19 GLY HA3 H 1 3.923 0.012 . 1 . . . . . . . . 4213 1
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save_