Content for NMR-STAR saveframe, "1H_chem_shift"
save_1H_chem_shift
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 1H_chem_shift
_Assigned_chem_shift_list.Entry_ID 6825
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 unknown 1 $sample_1 isotropic 6825 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 GLY HA2 H 1 3.76 . . . . . . . 1 GLY HA2 . 6825 1
2 . 1 1 2 2 VAL HA H 1 4.18 . . . . . . . 2 VAL HA . 6825 1
3 . 1 1 2 2 VAL HB H 1 2.10 . . . . . . . 2 VAL HB . 6825 1
4 . 1 1 2 2 VAL HG11 H 1 0.95 . . . . . . . 2 VAL HG1 . 6825 1
5 . 1 1 2 2 VAL HG12 H 1 0.95 . . . . . . . 2 VAL HG1 . 6825 1
6 . 1 1 2 2 VAL HG13 H 1 0.95 . . . . . . . 2 VAL HG1 . 6825 1
7 . 1 1 2 2 VAL HG21 H 1 0.95 . . . . . . . 2 VAL HG2 . 6825 1
8 . 1 1 2 2 VAL HG22 H 1 0.95 . . . . . . . 2 VAL HG2 . 6825 1
9 . 1 1 2 2 VAL HG23 H 1 0.95 . . . . . . . 2 VAL HG2 . 6825 1
10 . 1 1 3 3 ARG H H 1 8.62 . . . . . . . 3 ARG H . 6825 1
11 . 1 1 3 3 ARG HA H 1 4.34 . . . . . . . 3 ARG HA . 6825 1
12 . 1 1 3 3 ARG HB2 H 1 1.79 . . . . . . . 3 ARG HB2 . 6825 1
13 . 1 1 3 3 ARG HG2 H 1 1.65 . . . . . . . 3 ARG HG2 . 6825 1
14 . 1 1 3 3 ARG HG3 H 1 1.58 . . . . . . . 3 ARG HG3 . 6825 1
15 . 1 1 3 3 ARG HD2 H 1 3.17 . . . . . . . 3 ARG HD2 . 6825 1
16 . 1 1 3 3 ARG HD3 H 1 3.17 . . . . . . . 3 ARG HD3 . 6825 1
17 . 1 1 4 4 ASN H H 1 8.64 . . . . . . . 4 ASN H . 6825 1
18 . 1 1 4 4 ASN HA H 1 4.72 . . . . . . . 4 ASN HA . 6825 1
19 . 1 1 4 4 ASN HB2 H 1 3.00 . . . . . . . 4 ASN HB2 . 6825 1
20 . 1 1 4 4 ASN HB3 H 1 2.74 . . . . . . . 4 ASN HB3 . 6825 1
21 . 1 1 5 5 ILE H H 1 8.28 . . . . . . . 5 ILE H . 6825 1
22 . 1 1 5 5 ILE HA H 1 4.17 . . . . . . . 5 ILE HA . 6825 1
23 . 1 1 5 5 ILE HB H 1 1.91 . . . . . . . 5 ILE HB . 6825 1
24 . 1 1 5 5 ILE HG12 H 1 1.50 . . . . . . . 5 ILE HG12 . 6825 1
25 . 1 1 5 5 ILE HG13 H 1 1.20 . . . . . . . 5 ILE HG13 . 6825 1
26 . 1 1 5 5 ILE HG21 H 1 0.89 . . . . . . . 5 ILE HG2 . 6825 1
27 . 1 1 5 5 ILE HG22 H 1 0.89 . . . . . . . 5 ILE HG2 . 6825 1
28 . 1 1 5 5 ILE HG23 H 1 0.89 . . . . . . . 5 ILE HG2 . 6825 1
29 . 1 1 5 5 ILE HD11 H 1 0.90 . . . . . . . 5 ILE HD1 . 6825 1
30 . 1 1 5 5 ILE HD12 H 1 0.90 . . . . . . . 5 ILE HD1 . 6825 1
31 . 1 1 5 5 ILE HD13 H 1 0.90 . . . . . . . 5 ILE HD1 . 6825 1
32 . 1 1 6 6 LYS H H 1 8.44 . . . . . . . 6 LYS H . 6825 1
33 . 1 1 6 6 LYS HA H 1 4.25 . . . . . . . 6 LYS HA . 6825 1
34 . 1 1 6 6 LYS HB2 H 1 1.87 . . . . . . . 6 LYS HB2 . 6825 1
35 . 1 1 6 6 LYS HB3 H 1 1.75 . . . . . . . 6 LYS HB3 . 6825 1
36 . 1 1 6 6 LYS HG2 H 1 1.44 . . . . . . . 6 LYS HG2 . 6825 1
37 . 1 1 6 6 LYS HG3 H 1 1.44 . . . . . . . 6 LYS HG3 . 6825 1
38 . 1 1 6 6 LYS HD2 H 1 1.68 . . . . . . . 6 LYS HD2 . 6825 1
39 . 1 1 6 6 LYS HZ1 H 1 2.97 . . . . . . . 6 LYS HZ . 6825 1
40 . 1 1 6 6 LYS HZ2 H 1 2.97 . . . . . . . 6 LYS HZ . 6825 1
41 . 1 1 6 6 LYS HZ3 H 1 2.97 . . . . . . . 6 LYS HZ . 6825 1
42 . 1 1 7 7 SER H H 1 8.36 . . . . . . . 7 SER H . 6825 1
43 . 1 1 7 7 SER HA H 1 4.38 . . . . . . . 7 SER HA . 6825 1
44 . 1 1 7 7 SER HB2 H 1 3.85 . . . . . . . 7 SER HB2 . 6825 1
45 . 1 1 7 7 SER HB3 H 1 3.77 . . . . . . . 7 SER HB3 . 6825 1
46 . 1 1 8 8 MET H H 1 8.41 . . . . . . . 8 MET H . 6825 1
47 . 1 1 8 8 MET HA H 1 4.39 . . . . . . . 8 MET HA . 6825 1
48 . 1 1 8 8 MET HB2 H 1 2.00 . . . . . . . 8 MET HB2 . 6825 1
49 . 1 1 8 8 MET HB3 H 1 1.90 . . . . . . . 8 MET HB3 . 6825 1
50 . 1 1 8 8 MET HG2 H 1 2.36 . . . . . . . 8 MET HG2 . 6825 1
51 . 1 1 9 9 TRP H H 1 8.06 . . . . . . . 9 TRP H . 6825 1
52 . 1 1 9 9 TRP HA H 1 4.69 . . . . . . . 9 TRP HA . 6825 1
53 . 1 1 9 9 TRP HB2 H 1 3.35 . . . . . . . 9 TRP HB2 . 6825 1
54 . 1 1 9 9 TRP HB3 H 1 3.22 . . . . . . . 9 TRP HB3 . 6825 1
55 . 1 1 9 9 TRP HD1 H 1 7.24 . . . . . . . 9 TRP HD1 . 6825 1
56 . 1 1 9 9 TRP HE1 H 1 7.61 . . . . . . . 9 TRP HE1 . 6825 1
57 . 1 1 9 9 TRP HE3 H 1 7.48 . . . . . . . 9 TRP HE3 . 6825 1
58 . 1 1 9 9 TRP HZ2 H 1 7.15 . . . . . . . 9 TRP HZ2 . 6825 1
59 . 1 1 9 9 TRP HZ3 H 1 7.23 . . . . . . . 9 TRP HZ3 . 6825 1
60 . 1 1 10 10 GLU H H 1 8.09 . . . . . . . 10 GLU H . 6825 1
61 . 1 1 10 10 GLU HA H 1 4.20 . . . . . . . 10 GLU HA . 6825 1
62 . 1 1 10 10 GLU HB2 H 1 2.10 . . . . . . . 10 GLU HB2 . 6825 1
63 . 1 1 10 10 GLU HB3 H 1 2.00 . . . . . . . 10 GLU HB3 . 6825 1
64 . 1 1 10 10 GLU HG2 H 1 2.30 . . . . . . . 10 GLU HG2 . 6825 1
65 . 1 1 11 11 LYS H H 1 8.30 . . . . . . . 11 LYS H . 6825 1
66 . 1 1 11 11 LYS HA H 1 4.18 . . . . . . . 11 LYS HA . 6825 1
67 . 1 1 11 11 LYS HB2 H 1 1.78 . . . . . . . 11 LYS HB2 . 6825 1
68 . 1 1 11 11 LYS HB3 H 1 1.68 . . . . . . . 11 LYS HB3 . 6825 1
69 . 1 1 11 11 LYS HG2 H 1 1.45 . . . . . . . 11 LYS HG2 . 6825 1
70 . 1 1 11 11 LYS HG3 H 1 1.45 . . . . . . . 11 LYS HG3 . 6825 1
71 . 1 1 11 11 LYS HD2 H 1 1.68 . . . . . . . 11 LYS HD2 . 6825 1
72 . 1 1 11 11 LYS HZ1 H 1 2.97 . . . . . . . 11 LYS HZ . 6825 1
73 . 1 1 11 11 LYS HZ2 H 1 2.97 . . . . . . . 11 LYS HZ . 6825 1
74 . 1 1 11 11 LYS HZ3 H 1 2.97 . . . . . . . 11 LYS HZ . 6825 1
75 . 1 1 12 12 GLY H H 1 8.41 . . . . . . . 12 GLY H . 6825 1
76 . 1 1 12 12 GLY HA2 H 1 3.95 . . . . . . . 12 GLY HA2 . 6825 1
77 . 1 1 13 13 ASN H H 1 8.30 . . . . . . . 13 ASN H . 6825 1
78 . 1 1 13 13 ASN HA H 1 4.71 . . . . . . . 13 ASN HA . 6825 1
79 . 1 1 13 13 ASN HB2 H 1 2.74 . . . . . . . 13 ASN HB2 . 6825 1
80 . 1 1 13 13 ASN HB3 H 1 2.68 . . . . . . . 13 ASN HB3 . 6825 1
81 . 1 1 14 14 VAL H H 1 8.07 . . . . . . . 14 VAL H . 6825 1
82 . 1 1 14 14 VAL HA H 1 4.06 . . . . . . . 14 VAL HA . 6825 1
83 . 1 1 14 14 VAL HB H 1 1.99 . . . . . . . 14 VAL HB . 6825 1
84 . 1 1 14 14 VAL HG11 H 1 0.80 . . . . . . . 14 VAL HG1 . 6825 1
85 . 1 1 14 14 VAL HG12 H 1 0.80 . . . . . . . 14 VAL HG1 . 6825 1
86 . 1 1 14 14 VAL HG13 H 1 0.80 . . . . . . . 14 VAL HG1 . 6825 1
87 . 1 1 15 15 PHE H H 1 8.41 . . . . . . . 15 PHE H . 6825 1
88 . 1 1 15 15 PHE HA H 1 4.72 . . . . . . . 15 PHE HA . 6825 1
89 . 1 1 15 15 PHE HB2 H 1 3.18 . . . . . . . 15 PHE HB2 . 6825 1
90 . 1 1 15 15 PHE HB3 H 1 3.00 . . . . . . . 15 PHE HB3 . 6825 1
91 . 1 1 15 15 PHE HD1 H 1 7.30 . . . . . . . 15 PHE HD1 . 6825 1
92 . 1 1 15 15 PHE HE1 H 1 7.36 . . . . . . . 15 PHE HE1 . 6825 1
93 . 1 1 15 15 PHE HZ H 1 7.13 . . . . . . . 15 PHE HZ . 6825 1
94 . 1 1 16 16 SER H H 1 8.26 . . . . . . . 16 SER H . 6825 1
95 . 1 1 16 16 SER HA H 1 4.49 . . . . . . . 16 SER HA . 6825 1
96 . 1 1 16 16 SER HB2 H 1 3.86 . . . . . . . 16 SER HB2 . 6825 1
97 . 1 1 16 16 SER HB3 H 1 3.86 . . . . . . . 16 SER HB3 . 6825 1
98 . 1 1 17 17 SER H H 1 8.02 . . . . . . . 17 SER H . 6825 1
99 . 1 1 17 17 SER HA H 1 4.27 . . . . . . . 17 SER HA . 6825 1
100 . 1 1 17 17 SER HB2 H 1 3.88 . . . . . . . 17 SER HB2 . 6825 1
101 . 1 1 17 17 SER HB3 H 1 3.88 . . . . . . . 17 SER HB3 . 6825 1
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save_