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 17228
_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
3 '2D 1H-1H NOESY' . . . 17228 1
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loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $SPARKY . . 17228 1
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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.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 2 2 GLY H H 1 8.523 0.000 . 1 . . . . . 2 G H . 17228 1
2 . 1 1 2 2 GLY HA2 H 1 3.442 0.005 . 2 . . . . . 2 G HA2 . 17228 1
3 . 1 1 2 2 GLY HA3 H 1 3.782 0.003 . 2 . . . . . 2 G HA3 . 17228 1
4 . 1 1 3 3 CYS H H 1 8.123 0.002 . 1 . . . . . 3 C H . 17228 1
5 . 1 1 3 3 CYS HA H 1 3.978 0.005 . 1 . . . . . 3 C HA . 17228 1
6 . 1 1 3 3 CYS HB2 H 1 2.039 0.003 . 2 . . . . . 3 C HB2 . 17228 1
7 . 1 1 3 3 CYS HB3 H 1 2.838 0.004 . 2 . . . . . 3 C HB3 . 17228 1
8 . 1 1 4 4 TRP H H 1 8.466 0.003 . 1 . . . . . 4 W H . 17228 1
9 . 1 1 4 4 TRP HA H 1 4.396 0.001 . 1 . . . . . 4 W HA . 17228 1
10 . 1 1 4 4 TRP HB2 H 1 3.343 0.005 . 2 . . . . . 4 W HB2 . 17228 1
11 . 1 1 4 4 TRP HB3 H 1 3.433 0.004 . 2 . . . . . 4 W HB3 . 17228 1
12 . 1 1 4 4 TRP HD1 H 1 7.314 0.003 . 1 . . . . . 4 W HD1 . 17228 1
13 . 1 1 4 4 TRP HE1 H 1 10.069 0.002 . 1 . . . . . 4 W HE1 . 17228 1
14 . 1 1 4 4 TRP HE3 H 1 7.573 0.002 . 1 . . . . . 4 W HE3 . 17228 1
15 . 1 1 4 4 TRP HH2 H 1 7.202 0.003 . 1 . . . . . 4 W HH2 . 17228 1
16 . 1 1 4 4 TRP HZ2 H 1 7.467 0.004 . 1 . . . . . 4 W HZ2 . 17228 1
17 . 1 1 4 4 TRP HZ3 H 1 7.109 0.003 . 1 . . . . . 4 W HZ3 . 17228 1
18 . 1 1 5 5 LYS H H 1 9.249 0.003 . 1 . . . . . 5 K H . 17228 1
19 . 1 1 5 5 LYS HA H 1 4.141 0.005 . 1 . . . . . 5 K HA . 17228 1
20 . 1 1 5 5 LYS HB2 H 1 2.123 0.005 . 2 . . . . . 5 K QB . 17228 1
21 . 1 1 5 5 LYS HB3 H 1 2.123 0.005 . 2 . . . . . 5 K QB . 17228 1
22 . 1 1 5 5 LYS HD2 H 1 1.666 0.003 . 2 . . . . . 5 K QD . 17228 1
23 . 1 1 5 5 LYS HD3 H 1 1.666 0.003 . 2 . . . . . 5 K QD . 17228 1
24 . 1 1 5 5 LYS HE2 H 1 2.882 0.001 . 2 . . . . . 5 K QE . 17228 1
25 . 1 1 5 5 LYS HE3 H 1 2.882 0.001 . 2 . . . . . 5 K QE . 17228 1
26 . 1 1 5 5 LYS HG2 H 1 1.224 0.005 . 2 . . . . . 5 K QG . 17228 1
27 . 1 1 5 5 LYS HG3 H 1 1.224 0.005 . 2 . . . . . 5 K QG . 17228 1
28 . 1 1 5 5 LYS HZ1 H 1 8.123 0.002 . 1 . . . . . 5 K HZ . 17228 1
29 . 1 1 5 5 LYS HZ2 H 1 8.123 0.002 . 1 . . . . . 5 K HZ . 17228 1
30 . 1 1 5 5 LYS HZ3 H 1 8.123 0.002 . 1 . . . . . 5 K HZ . 17228 1
31 . 1 1 6 6 CYS H H 1 8.417 0.003 . 1 . . . . . 6 C H . 17228 1
32 . 1 1 6 6 CYS HA H 1 4.894 0.002 . 1 . . . . . 6 C HA . 17228 1
33 . 1 1 6 6 CYS HB2 H 1 2.473 0.004 . 2 . . . . . 6 C HB2 . 17228 1
34 . 1 1 6 6 CYS HB3 H 1 3.182 0.004 . 2 . . . . . 6 C HB3 . 17228 1
35 . 1 1 7 7 GLY H H 1 8.124 0.001 . 1 . . . . . 7 G H . 17228 1
36 . 1 1 7 7 GLY HA2 H 1 3.797 0.004 . 2 . . . . . 7 G HA2 . 17228 1
37 . 1 1 7 7 GLY HA3 H 1 4.082 0.005 . 2 . . . . . 7 G HA3 . 17228 1
38 . 1 1 8 8 LYS H H 1 8.381 0.003 . 1 . . . . . 8 K H . 17228 1
39 . 1 1 8 8 LYS HA H 1 4.348 0.003 . 1 . . . . . 8 K HA . 17228 1
40 . 1 1 8 8 LYS HB2 H 1 1.819 0.003 . 2 . . . . . 8 K HB2 . 17228 1
41 . 1 1 8 8 LYS HB3 H 1 1.696 0.003 . 2 . . . . . 8 K HB3 . 17228 1
42 . 1 1 8 8 LYS HD2 H 1 1.568 0.006 . 2 . . . . . 8 K QD . 17228 1
43 . 1 1 8 8 LYS HD3 H 1 1.568 0.006 . 2 . . . . . 8 K QD . 17228 1
44 . 1 1 8 8 LYS HE2 H 1 2.974 0.007 . 2 . . . . . 8 K QE . 17228 1
45 . 1 1 8 8 LYS HE3 H 1 2.974 0.007 . 2 . . . . . 8 K QE . 17228 1
46 . 1 1 8 8 LYS HG2 H 1 1.407 0.002 . 2 . . . . . 8 K QG . 17228 1
47 . 1 1 8 8 LYS HG3 H 1 1.407 0.002 . 2 . . . . . 8 K QG . 17228 1
48 . 1 1 8 8 LYS HZ1 H 1 7.463 0.002 . 1 . . . . . 8 K HZ . 17228 1
49 . 1 1 8 8 LYS HZ2 H 1 7.463 0.002 . 1 . . . . . 8 K HZ . 17228 1
50 . 1 1 8 8 LYS HZ3 H 1 7.463 0.002 . 1 . . . . . 8 K HZ . 17228 1
51 . 1 1 9 9 GLU H H 1 8.409 0.003 . 1 . . . . . 9 E H . 17228 1
52 . 1 1 9 9 GLU HA H 1 4.177 0.004 . 1 . . . . . 9 E HA . 17228 1
53 . 1 1 9 9 GLU HB2 H 1 1.807 0.003 . 2 . . . . . 9 E HB2 . 17228 1
54 . 1 1 9 9 GLU HB3 H 1 1.954 0.005 . 2 . . . . . 9 E HB3 . 17228 1
55 . 1 1 9 9 GLU HG2 H 1 2.124 0.004 . 2 . . . . . 9 E HG2 . 17228 1
56 . 1 1 9 9 GLU HG3 H 1 2.232 0.005 . 2 . . . . . 9 E HG3 . 17228 1
57 . 1 1 10 10 GLY H H 1 8.534 0.003 . 1 . . . . . 10 G H . 17228 1
58 . 1 1 10 10 GLY HA2 H 1 3.662 0.001 . 2 . . . . . 10 G HA2 . 17228 1
59 . 1 1 10 10 GLY HA3 H 1 4.322 0.004 . 2 . . . . . 10 G HA3 . 17228 1
60 . 1 1 11 11 HIS H H 1 7.131 0.003 . 1 . . . . . 11 H H . 17228 1
61 . 1 1 11 11 HIS HA H 1 4.771 0.003 . 1 . . . . . 11 H HA . 17228 1
62 . 1 1 11 11 HIS HB2 H 1 3.166 0.002 . 2 . . . . . 11 H QB . 17228 1
63 . 1 1 11 11 HIS HB3 H 1 3.166 0.002 . 2 . . . . . 11 H QB . 17228 1
64 . 1 1 11 11 HIS HD2 H 1 6.820 0.003 . 1 . . . . . 11 H HD2 . 17228 1
65 . 1 1 11 11 HIS HE1 H 1 7.461 0.002 . 1 . . . . . 11 H HE1 . 17228 1
66 . 1 1 12 12 GLN H H 1 8.885 0.003 . 1 . . . . . 12 Q H . 17228 1
67 . 1 1 12 12 GLN HA H 1 4.590 0.005 . 1 . . . . . 12 Q HA . 17228 1
68 . 1 1 12 12 GLN HB2 H 1 1.909 0.003 . 2 . . . . . 12 Q QB . 17228 1
69 . 1 1 12 12 GLN HB3 H 1 1.909 0.003 . 2 . . . . . 12 Q QB . 17228 1
70 . 1 1 12 12 GLN HE21 H 1 7.552 0.001 . 2 . . . . . 12 Q HE21 . 17228 1
71 . 1 1 12 12 GLN HE22 H 1 6.775 0.001 . 2 . . . . . 12 Q HE22 . 17228 1
72 . 1 1 12 12 GLN HG2 H 1 2.275 0.008 . 2 . . . . . 12 Q HG2 . 17228 1
73 . 1 1 12 12 GLN HG3 H 1 2.337 0.002 . 2 . . . . . 12 Q HG3 . 17228 1
74 . 1 1 13 13 MET H H 1 8.831 0.002 . 1 . . . . . 13 M H . 17228 1
75 . 1 1 13 13 MET HA H 1 4.765 0.002 . 1 . . . . . 13 M HA . 17228 1
76 . 1 1 13 13 MET HB2 H 1 2.066 0.003 . 2 . . . . . 13 M HB2 . 17228 1
77 . 1 1 13 13 MET HB3 H 1 2.139 0.003 . 2 . . . . . 13 M HB3 . 17228 1
78 . 1 1 13 13 MET HG2 H 1 2.216 0.002 . 2 . . . . . 13 M HG2 . 17228 1
79 . 1 1 13 13 MET HG3 H 1 2.502 0.005 . 2 . . . . . 13 M HG3 . 17228 1
80 . 1 1 14 14 LYS H H 1 8.508 0.003 . 1 . . . . . 14 K H . 17228 1
81 . 1 1 14 14 LYS HA H 1 4.102 0.002 . 1 . . . . . 14 K HA . 17228 1
82 . 1 1 14 14 LYS HB2 H 1 1.702 0.006 . 2 . . . . . 14 K HB2 . 17228 1
83 . 1 1 14 14 LYS HB3 H 1 1.837 0.001 . 2 . . . . . 14 K HB3 . 17228 1
84 . 1 1 14 14 LYS HD2 H 1 1.589 0.001 . 2 . . . . . 14 K QD . 17228 1
85 . 1 1 14 14 LYS HD3 H 1 1.589 0.001 . 2 . . . . . 14 K QD . 17228 1
86 . 1 1 14 14 LYS HE2 H 1 2.960 0.005 . 2 . . . . . 14 K QE . 17228 1
87 . 1 1 14 14 LYS HE3 H 1 2.960 0.005 . 2 . . . . . 14 K QE . 17228 1
88 . 1 1 14 14 LYS HG2 H 1 1.213 0.003 . 2 . . . . . 14 K HG2 . 17228 1
89 . 1 1 14 14 LYS HG3 H 1 1.299 0.006 . 2 . . . . . 14 K HG3 . 17228 1
90 . 1 1 15 15 ASP H H 1 7.854 0.002 . 1 . . . . . 15 D H . 17228 1
91 . 1 1 15 15 ASP HA H 1 4.840 0.001 . 1 . . . . . 15 D HA . 17228 1
92 . 1 1 15 15 ASP HB2 H 1 2.502 0.004 . 2 . . . . . 15 D HB2 . 17228 1
93 . 1 1 15 15 ASP HB3 H 1 2.921 0.006 . 2 . . . . . 15 D HB3 . 17228 1
94 . 1 1 16 16 CYS H H 1 7.606 0.003 . 1 . . . . . 16 C H . 17228 1
95 . 1 1 16 16 CYS HA H 1 3.624 0.003 . 1 . . . . . 16 C HA . 17228 1
96 . 1 1 16 16 CYS HB2 H 1 2.844 0.003 . 2 . . . . . 16 C HB2 . 17228 1
97 . 1 1 16 16 CYS HB3 H 1 3.244 0.005 . 2 . . . . . 16 C HB3 . 17228 1
98 . 1 1 17 17 THR H H 1 8.067 0.003 . 1 . . . . . 17 T H . 17228 1
99 . 1 1 17 17 THR HA H 1 4.331 0.003 . 1 . . . . . 17 T HA . 17228 1
100 . 1 1 17 17 THR HB H 1 4.370 0.004 . 1 . . . . . 17 T HB . 17228 1
101 . 1 1 17 17 THR HG21 H 1 1.069 0.004 . 1 . . . . . 17 T QG2 . 17228 1
102 . 1 1 17 17 THR HG22 H 1 1.069 0.004 . 1 . . . . . 17 T QG2 . 17228 1
103 . 1 1 17 17 THR HG23 H 1 1.069 0.004 . 1 . . . . . 17 T QG2 . 17228 1
104 . 1 1 18 18 GLU H H 1 8.667 0.002 . 1 . . . . . 18 E H . 17228 1
105 . 1 1 18 18 GLU HA H 1 4.188 0.003 . 1 . . . . . 18 E HA . 17228 1
106 . 1 1 18 18 GLU HB2 H 1 1.915 0.003 . 2 . . . . . 18 E HB2 . 17228 1
107 . 1 1 18 18 GLU HB3 H 1 2.043 0.003 . 2 . . . . . 18 E HB3 . 17228 1
108 . 1 1 18 18 GLU HG2 H 1 2.222 0.006 . 2 . . . . . 18 E HG2 . 17228 1
109 . 1 1 18 18 GLU HG3 H 1 2.373 0.004 . 2 . . . . . 18 E HG3 . 17228 1
110 . 1 1 19 19 ARG H H 1 7.909 0.003 . 1 . . . . . 19 R H . 17228 1
111 . 1 1 19 19 ARG HA H 1 4.061 0.002 . 1 . . . . . 19 R HA . 17228 1
112 . 1 1 19 19 ARG HB2 H 1 1.635 0.003 . 2 . . . . . 19 R HB2 . 17228 1
113 . 1 1 19 19 ARG HB3 H 1 1.766 0.003 . 2 . . . . . 19 R HB3 . 17228 1
114 . 1 1 19 19 ARG HD2 H 1 3.124 0.004 . 2 . . . . . 19 R QD . 17228 1
115 . 1 1 19 19 ARG HD3 H 1 3.124 0.004 . 2 . . . . . 19 R QD . 17228 1
116 . 1 1 19 19 ARG HE H 1 7.100 0.003 . 1 . . . . . 19 R HE . 17228 1
117 . 1 1 19 19 ARG HG2 H 1 1.521 0.003 . 2 . . . . . 19 R QG . 17228 1
118 . 1 1 19 19 ARG HG3 H 1 1.521 0.003 . 2 . . . . . 19 R QG . 17228 1
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