Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 11539
_Assigned_chem_shift_list.ID 1
_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 $chemical_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 TOCSY' 1 $sample_1 isotropic 11539 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11539 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 LYS HA H 1 4.162 0.003 . 1 . . . . 1 LYS HA . 11539 1
2 . 1 1 1 1 LYS HB2 H 1 1.865 0.001 . 2 . . . . 1 LYS HB# . 11539 1
3 . 1 1 1 1 LYS HB3 H 1 1.865 0.001 . 2 . . . . 1 LYS HB# . 11539 1
4 . 1 1 1 1 LYS HD2 H 1 1.633 0.000 . 2 . . . . 1 LYS HD# . 11539 1
5 . 1 1 1 1 LYS HD3 H 1 1.633 0.000 . 2 . . . . 1 LYS HD# . 11539 1
6 . 1 1 1 1 LYS HG2 H 1 1.435 0.000 . 2 . . . . 1 LYS HG# . 11539 1
7 . 1 1 1 1 LYS HG3 H 1 1.435 0.000 . 2 . . . . 1 LYS HG# . 11539 1
8 . 1 1 2 2 TRP H H 1 8.885 0.000 . 1 . . . . 2 TRP HN . 11539 1
9 . 1 1 2 2 TRP HA H 1 4.965 0.001 . 1 . . . . 2 TRP HA . 11539 1
10 . 1 1 2 2 TRP HB2 H 1 3.336 0.001 . 2 . . . . 2 TRP HB# . 11539 1
11 . 1 1 2 2 TRP HB3 H 1 3.336 0.001 . 2 . . . . 2 TRP HB# . 11539 1
12 . 1 1 2 2 TRP HD1 H 1 7.260 0.002 . 1 . . . . 2 TRP HD1 . 11539 1
13 . 1 1 2 2 TRP HE1 H 1 10.106 0.000 . 1 . . . . 2 TRP HE1 . 11539 1
14 . 1 1 2 2 TRP HE3 H 1 7.676 0.000 . 1 . . . . 2 TRP HE3 . 11539 1
15 . 1 1 2 2 TRP HZ2 H 1 7.449 0.000 . 1 . . . . 2 TRP HZ2 . 11539 1
16 . 1 1 3 3 CYS H H 1 8.304 0.001 . 1 . . . . 3 CYS HN . 11539 1
17 . 1 1 3 3 CYS HA H 1 5.464 0.004 . 1 . . . . 3 CYS HA . 11539 1
18 . 1 1 3 3 CYS HB2 H 1 2.571 0.003 . 2 . . . . 3 CYS HB1 . 11539 1
19 . 1 1 3 3 CYS HB3 H 1 2.982 0.001 . 2 . . . . 3 CYS HB2 . 11539 1
20 . 1 1 4 4 PHE H H 1 8.735 0.000 . 1 . . . . 4 PHE HN . 11539 1
21 . 1 1 4 4 PHE HA H 1 4.774 0.000 . 1 . . . . 4 PHE HA . 11539 1
22 . 1 1 4 4 PHE HB2 H 1 3.006 0.001 . 2 . . . . 4 PHE HB# . 11539 1
23 . 1 1 4 4 PHE HB3 H 1 3.006 0.001 . 2 . . . . 4 PHE HB# . 11539 1
24 . 1 1 4 4 PHE HE1 H 1 7.090 0.000 . 3 . . . . 4 PHE HE# . 11539 1
25 . 1 1 4 4 PHE HE2 H 1 7.090 0.000 . 3 . . . . 4 PHE HE# . 11539 1
26 . 1 1 4 4 PHE HZ H 1 6.868 0.002 . 1 . . . . 4 PHE HZ . 11539 1
27 . 1 1 5 5 ARG H H 1 8.541 0.000 . 1 . . . . 5 ARG HN . 11539 1
28 . 1 1 5 5 ARG HA H 1 4.968 0.002 . 1 . . . . 5 ARG HA . 11539 1
29 . 1 1 5 5 ARG HB2 H 1 1.639 0.000 . 2 . . . . 5 ARG HB1 . 11539 1
30 . 1 1 5 5 ARG HB3 H 1 1.746 0.000 . 2 . . . . 5 ARG HB2 . 11539 1
31 . 1 1 5 5 ARG HD2 H 1 3.114 0.000 . 2 . . . . 5 ARG HD# . 11539 1
32 . 1 1 5 5 ARG HD3 H 1 3.114 0.000 . 2 . . . . 5 ARG HD# . 11539 1
33 . 1 1 5 5 ARG HG2 H 1 1.461 0.002 . 2 . . . . 5 ARG HG# . 11539 1
34 . 1 1 5 5 ARG HG3 H 1 1.461 0.002 . 2 . . . . 5 ARG HG# . 11539 1
35 . 1 1 6 6 VAL H H 1 8.842 0.000 . 1 . . . . 6 VAL HN . 11539 1
36 . 1 1 6 6 VAL HA H 1 4.369 0.001 . 1 . . . . 6 VAL HA . 11539 1
37 . 1 1 6 6 VAL HB H 1 1.720 0.000 . 1 . . . . 6 VAL HB . 11539 1
38 . 1 1 6 6 VAL HG11 H 1 0.911 0.002 . 2 . . . . 6 VAL HG# . 11539 1
39 . 1 1 6 6 VAL HG12 H 1 0.911 0.002 . 2 . . . . 6 VAL HG# . 11539 1
40 . 1 1 6 6 VAL HG13 H 1 0.911 0.002 . 2 . . . . 6 VAL HG# . 11539 1
41 . 1 1 6 6 VAL HG21 H 1 0.911 0.002 . 2 . . . . 6 VAL HG# . 11539 1
42 . 1 1 6 6 VAL HG22 H 1 0.911 0.002 . 2 . . . . 6 VAL HG# . 11539 1
43 . 1 1 6 6 VAL HG23 H 1 0.911 0.002 . 2 . . . . 6 VAL HG# . 11539 1
44 . 1 1 7 7 CYS H H 1 8.616 0.000 . 1 . . . . 7 CYS HN . 11539 1
45 . 1 1 7 7 CYS HA H 1 5.634 0.003 . 1 . . . . 7 CYS HA . 11539 1
46 . 1 1 7 7 CYS HB2 H 1 2.669 0.002 . 2 . . . . 7 CYS HB1 . 11539 1
47 . 1 1 7 7 CYS HB3 H 1 3.046 0.000 . 2 . . . . 7 CYS HB2 . 11539 1
48 . 1 1 8 8 TYR H H 1 9.110 0.000 . 1 . . . . 8 TYR HN . 11539 1
49 . 1 1 8 8 TYR HA H 1 4.763 0.002 . 1 . . . . 8 TYR HA . 11539 1
50 . 1 1 8 8 TYR HB2 H 1 3.046 0.001 . 2 . . . . 8 TYR HB# . 11539 1
51 . 1 1 8 8 TYR HB3 H 1 3.046 0.001 . 2 . . . . 8 TYR HB# . 11539 1
52 . 1 1 8 8 TYR HD1 H 1 7.230 0.001 . 3 . . . . 8 TYR HD# . 11539 1
53 . 1 1 8 8 TYR HD2 H 1 7.230 0.001 . 3 . . . . 8 TYR HD# . 11539 1
54 . 1 1 8 8 TYR HE1 H 1 6.856 0.000 . 3 . . . . 8 TYR HE# . 11539 1
55 . 1 1 8 8 TYR HE2 H 1 6.856 0.000 . 3 . . . . 8 TYR HE# . 11539 1
56 . 1 1 9 9 ARG H H 1 9.208 0.000 . 1 . . . . 9 ARG HN . 11539 1
57 . 1 1 9 9 ARG HA H 1 3.736 0.001 . 1 . . . . 9 ARG HA . 11539 1
58 . 1 1 9 9 ARG HB2 H 1 1.631 0.000 . 2 . . . . 9 ARG HB1 . 11539 1
59 . 1 1 9 9 ARG HB3 H 1 1.936 0.004 . 2 . . . . 9 ARG HB2 . 11539 1
60 . 1 1 9 9 ARG HG2 H 1 0.994 0.003 . 2 . . . . 9 ARG HG1 . 11539 1
61 . 1 1 9 9 ARG HG3 H 1 1.269 0.001 . 2 . . . . 9 ARG HG2 . 11539 1
62 . 1 1 10 10 GLY H H 1 8.528 0.000 . 1 . . . . 10 GLY HN . 11539 1
63 . 1 1 10 10 GLY HA2 H 1 3.589 0.002 . 2 . . . . 10 GLY HA1 . 11539 1
64 . 1 1 10 10 GLY HA3 H 1 4.174 0.002 . 2 . . . . 10 GLY HA2 . 11539 1
65 . 1 1 11 11 ILE H H 1 7.792 0.000 . 1 . . . . 11 ILE HN . 11539 1
66 . 1 1 11 11 ILE HA H 1 4.309 0.001 . 1 . . . . 11 ILE HA . 11539 1
67 . 1 1 11 11 ILE HB H 1 2.003 0.000 . 1 . . . . 11 ILE HB . 11539 1
68 . 1 1 11 11 ILE HD11 H 1 0.896 0.000 . 4 . . . . 11 ILE HD1# . 11539 1
69 . 1 1 11 11 ILE HD12 H 1 0.896 0.000 . 4 . . . . 11 ILE HD1# . 11539 1
70 . 1 1 11 11 ILE HD13 H 1 0.896 0.000 . 4 . . . . 11 ILE HD1# . 11539 1
71 . 1 1 11 11 ILE HG12 H 1 1.168 0.001 . 2 . . . . 11 ILE HG11 . 11539 1
72 . 1 1 11 11 ILE HG13 H 1 1.515 0.002 . 2 . . . . 11 ILE HG12 . 11539 1
73 . 1 1 11 11 ILE HG21 H 1 0.781 0.004 . 4 . . . . 11 ILE HG2# . 11539 1
74 . 1 1 11 11 ILE HG22 H 1 0.781 0.004 . 4 . . . . 11 ILE HG2# . 11539 1
75 . 1 1 11 11 ILE HG23 H 1 0.781 0.004 . 4 . . . . 11 ILE HG2# . 11539 1
76 . 1 1 12 12 CYS H H 1 8.530 0.000 . 1 . . . . 12 CYS HN . 11539 1
77 . 1 1 12 12 CYS HA H 1 5.696 0.005 . 1 . . . . 12 CYS HA . 11539 1
78 . 1 1 12 12 CYS HB2 H 1 2.556 0.003 . 2 . . . . 12 CYS HB1 . 11539 1
79 . 1 1 12 12 CYS HB3 H 1 2.950 0.000 . 2 . . . . 12 CYS HB2 . 11539 1
80 . 1 1 13 13 TYR H H 1 9.159 0.000 . 1 . . . . 13 TYR HN . 11539 1
81 . 1 1 13 13 TYR HA H 1 4.770 0.001 . 1 . . . . 13 TYR HA . 11539 1
82 . 1 1 13 13 TYR HB2 H 1 2.859 0.001 . 2 . . . . 13 TYR HB1 . 11539 1
83 . 1 1 13 13 TYR HB3 H 1 3.063 0.001 . 2 . . . . 13 TYR HB2 . 11539 1
84 . 1 1 13 13 TYR HD1 H 1 7.035 0.001 . 3 . . . . 13 TYR HD# . 11539 1
85 . 1 1 13 13 TYR HD2 H 1 7.035 0.001 . 3 . . . . 13 TYR HD# . 11539 1
86 . 1 1 13 13 TYR HE1 H 1 6.732 0.001 . 3 . . . . 13 TYR HE# . 11539 1
87 . 1 1 13 13 TYR HE2 H 1 6.732 0.001 . 3 . . . . 13 TYR HE# . 11539 1
88 . 1 1 14 14 ARG H H 1 8.637 0.000 . 1 . . . . 14 ARG HN . 11539 1
89 . 1 1 14 14 ARG HA H 1 4.816 0.001 . 1 . . . . 14 ARG HA . 11539 1
90 . 1 1 14 14 ARG HB2 H 1 1.671 0.000 . 2 . . . . 14 ARG HB# . 11539 1
91 . 1 1 14 14 ARG HB3 H 1 1.671 0.000 . 2 . . . . 14 ARG HB# . 11539 1
92 . 1 1 14 14 ARG HE H 1 7.161 0.000 . 1 . . . . 14 ARG HE . 11539 1
93 . 1 1 14 14 ARG HG2 H 1 1.459 0.000 . 2 . . . . 14 ARG HG2 . 11539 1
94 . 1 1 15 15 ARG H H 1 8.706 0.000 . 1 . . . . 15 ARG HN . 11539 1
95 . 1 1 15 15 ARG HA H 1 4.571 0.001 . 1 . . . . 15 ARG HA . 11539 1
96 . 1 1 15 15 ARG HB2 H 1 1.455 0.000 . 2 . . . . 15 ARG HB# . 11539 1
97 . 1 1 15 15 ARG HB3 H 1 1.455 0.000 . 2 . . . . 15 ARG HB# . 11539 1
98 . 1 1 15 15 ARG HG2 H 1 1.242 0.000 . 2 . . . . 15 ARG HG# . 11539 1
99 . 1 1 15 15 ARG HG3 H 1 1.242 0.000 . 2 . . . . 15 ARG HG# . 11539 1
100 . 1 1 16 16 CYS H H 1 8.618 0.001 . 1 . . . . 16 CYS HN . 11539 1
101 . 1 1 16 16 CYS HA H 1 5.453 0.003 . 1 . . . . 16 CYS HA . 11539 1
102 . 1 1 16 16 CYS HB2 H 1 2.778 0.003 . 2 . . . . 16 CYS HB1 . 11539 1
103 . 1 1 16 16 CYS HB3 H 1 2.996 0.000 . 2 . . . . 16 CYS HB2 . 11539 1
104 . 1 1 17 17 ARG H H 1 8.910 0.000 . 1 . . . . 17 ARG HN . 11539 1
105 . 1 1 17 17 ARG HA H 1 4.576 0.001 . 1 . . . . 17 ARG HA . 11539 1
106 . 1 1 17 17 ARG HB2 H 1 1.991 0.001 . 2 . . . . 17 ARG HB# . 11539 1
107 . 1 1 17 17 ARG HB3 H 1 1.991 0.001 . 2 . . . . 17 ARG HB# . 11539 1
108 . 1 1 17 17 ARG HD2 H 1 3.233 0.000 . 2 . . . . 17 ARG HD# . 11539 1
109 . 1 1 17 17 ARG HD3 H 1 3.233 0.000 . 2 . . . . 17 ARG HD# . 11539 1
110 . 1 1 17 17 ARG HG2 H 1 1.801 0.000 . 2 . . . . 17 ARG HG# . 11539 1
111 . 1 1 17 17 ARG HG3 H 1 1.801 0.000 . 2 . . . . 17 ARG HG# . 11539 1
112 . 1 1 18 18 NH2 HN1 H 1 7.863 0.001 . 2 . . . . 18 NH2 HN1 . 11539 1
113 . 1 1 18 18 NH2 HN2 H 1 7.278 0.003 . 2 . . . . 18 NH2 HN2 . 11539 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 68 11539 1
1 69 11539 1
1 70 11539 1
1 73 11539 1
1 74 11539 1
1 75 11539 1
stop_
save_