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 17229
_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' . . . 17229 1
stop_
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 . . 17229 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.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 8.567 0.020 . 1 . . . . . 2 GLY H . 17229 1
2 . 1 1 2 2 GLY HA2 H 1 3.382 0.020 . 2 . . . . . 2 GLY HA2 . 17229 1
3 . 1 1 2 2 GLY HA3 H 1 3.850 0.020 . 2 . . . . . 2 GLY HA3 . 17229 1
4 . 1 1 3 3 CYS H H 1 8.296 0.020 . 1 . . . . . 3 CYS H . 17229 1
5 . 1 1 3 3 CYS HA H 1 4.121 0.020 . 1 . . . . . 3 CYS HA . 17229 1
6 . 1 1 3 3 CYS HB2 H 1 1.917 0.020 . 2 . . . . . 3 CYS HB2 . 17229 1
7 . 1 1 3 3 CYS HB3 H 1 2.789 0.020 . 2 . . . . . 3 CYS HB3 . 17229 1
8 . 1 1 4 4 TRP H H 1 8.983 0.020 . 1 . . . . . 4 TRP H . 17229 1
9 . 1 1 4 4 TRP HA H 1 4.530 0.020 . 1 . . . . . 4 TRP HA . 17229 1
10 . 1 1 4 4 TRP HB2 H 1 3.067 0.020 . 2 . . . . . 4 TRP HB2 . 17229 1
11 . 1 1 4 4 TRP HB3 H 1 3.148 0.020 . 2 . . . . . 4 TRP HB3 . 17229 1
12 . 1 1 4 4 TRP HD1 H 1 6.967 0.020 . 1 . . . . . 4 TRP HD1 . 17229 1
13 . 1 1 4 4 TRP HE1 H 1 9.705 0.020 . 1 . . . . . 4 TRP HE1 . 17229 1
14 . 1 1 4 4 TRP HE3 H 1 7.033 0.020 . 1 . . . . . 4 TRP HE3 . 17229 1
15 . 1 1 4 4 TRP HH2 H 1 6.702 0.020 . 1 . . . . . 4 TRP HH2 . 17229 1
16 . 1 1 4 4 TRP HZ2 H 1 7.016 0.020 . 1 . . . . . 4 TRP HZ2 . 17229 1
17 . 1 1 4 4 TRP HZ3 H 1 6.571 0.020 . 1 . . . . . 4 TRP HZ3 . 17229 1
18 . 1 1 5 5 LYS H H 1 9.694 0.020 . 1 . . . . . 5 LYS H . 17229 1
19 . 1 1 5 5 LYS HA H 1 4.370 0.020 . 1 . . . . . 5 LYS HA . 17229 1
20 . 1 1 5 5 LYS HB2 H 1 2.275 0.020 . 2 . . . . . 5 LYS HB2 . 17229 1
21 . 1 1 5 5 LYS HB3 H 1 2.275 0.020 . 2 . . . . . 5 LYS HB3 . 17229 1
22 . 1 1 5 5 LYS HD2 H 1 1.699 0.020 . 2 . . . . . 5 LYS HD2 . 17229 1
23 . 1 1 5 5 LYS HD3 H 1 1.699 0.020 . 2 . . . . . 5 LYS HD3 . 17229 1
24 . 1 1 5 5 LYS HE2 H 1 2.918 0.020 . 2 . . . . . 5 LYS HE2 . 17229 1
25 . 1 1 5 5 LYS HE3 H 1 2.918 0.020 . 2 . . . . . 5 LYS HE3 . 17229 1
26 . 1 1 5 5 LYS HG2 H 1 1.335 0.020 . 2 . . . . . 5 LYS HG2 . 17229 1
27 . 1 1 5 5 LYS HG3 H 1 1.335 0.020 . 2 . . . . . 5 LYS HG3 . 17229 1
28 . 1 1 6 6 CYS H H 1 8.605 0.020 . 1 . . . . . 6 CYS H . 17229 1
29 . 1 1 6 6 CYS HA H 1 4.927 0.020 . 1 . . . . . 6 CYS HA . 17229 1
30 . 1 1 6 6 CYS HB2 H 1 2.498 0.020 . 2 . . . . . 6 CYS HB2 . 17229 1
31 . 1 1 6 6 CYS HB3 H 1 3.212 0.020 . 2 . . . . . 6 CYS HB3 . 17229 1
32 . 1 1 7 7 GLY H H 1 8.071 0.020 . 1 . . . . . 7 GLY H . 17229 1
33 . 1 1 7 7 GLY HA2 H 1 3.850 0.020 . 2 . . . . . 7 GLY HA2 . 17229 1
34 . 1 1 7 7 GLY HA3 H 1 4.136 0.020 . 2 . . . . . 7 GLY HA3 . 17229 1
35 . 1 1 8 8 LYS H H 1 8.393 0.020 . 1 . . . . . 8 LYS H . 17229 1
36 . 1 1 8 8 LYS HA H 1 4.290 0.020 . 1 . . . . . 8 LYS HA . 17229 1
37 . 1 1 8 8 LYS HB2 H 1 1.783 0.020 . 2 . . . . . 8 LYS HB2 . 17229 1
38 . 1 1 8 8 LYS HB3 H 1 1.696 0.020 . 2 . . . . . 8 LYS HB3 . 17229 1
39 . 1 1 8 8 LYS HD2 H 1 1.586 0.020 . 2 . . . . . 8 LYS HD2 . 17229 1
40 . 1 1 8 8 LYS HD3 H 1 1.586 0.020 . 2 . . . . . 8 LYS HD3 . 17229 1
41 . 1 1 8 8 LYS HE2 H 1 2.975 0.020 . 2 . . . . . 8 LYS HE2 . 17229 1
42 . 1 1 8 8 LYS HE3 H 1 2.975 0.020 . 2 . . . . . 8 LYS HE3 . 17229 1
43 . 1 1 8 8 LYS HG2 H 1 1.419 0.020 . 2 . . . . . 8 LYS HG2 . 17229 1
44 . 1 1 8 8 LYS HG3 H 1 1.419 0.020 . 2 . . . . . 8 LYS HG3 . 17229 1
45 . 1 1 8 8 LYS HZ1 H 1 7.407 0.020 . 1 . . . . . 8 LYS HZ1 . 17229 1
46 . 1 1 8 8 LYS HZ2 H 1 7.407 0.020 . 1 . . . . . 8 LYS HZ2 . 17229 1
47 . 1 1 8 8 LYS HZ3 H 1 7.407 0.020 . 1 . . . . . 8 LYS HZ3 . 17229 1
48 . 1 1 9 9 GLU H H 1 8.402 0.020 . 1 . . . . . 9 GLU H . 17229 1
49 . 1 1 9 9 GLU HA H 1 4.138 0.020 . 1 . . . . . 9 GLU HA . 17229 1
50 . 1 1 9 9 GLU HB2 H 1 1.785 0.020 . 2 . . . . . 9 GLU HB2 . 17229 1
51 . 1 1 9 9 GLU HB3 H 1 1.921 0.020 . 2 . . . . . 9 GLU HB3 . 17229 1
52 . 1 1 9 9 GLU HG2 H 1 2.122 0.020 . 2 . . . . . 9 GLU HG2 . 17229 1
53 . 1 1 9 9 GLU HG3 H 1 2.231 0.020 . 2 . . . . . 9 GLU HG3 . 17229 1
54 . 1 1 10 10 GLY H H 1 8.615 0.020 . 1 . . . . . 10 GLY H . 17229 1
55 . 1 1 10 10 GLY HA2 H 1 3.595 0.020 . 2 . . . . . 10 GLY HA2 . 17229 1
56 . 1 1 10 10 GLY HA3 H 1 4.303 0.020 . 2 . . . . . 10 GLY HA3 . 17229 1
57 . 1 1 11 11 HIS H H 1 7.013 0.020 . 1 . . . . . 11 HIS H . 17229 1
58 . 1 1 11 11 HIS HA H 1 4.653 0.020 . 1 . . . . . 11 HIS HA . 17229 1
59 . 1 1 11 11 HIS HB2 H 1 3.114 0.020 . 2 . . . . . 11 HIS HB2 . 17229 1
60 . 1 1 11 11 HIS HB3 H 1 3.114 0.020 . 2 . . . . . 11 HIS HB3 . 17229 1
61 . 1 1 11 11 HIS HD2 H 1 6.835 0.020 . 1 . . . . . 11 HIS HD2 . 17229 1
62 . 1 1 11 11 HIS HE1 H 1 7.407 0.020 . 1 . . . . . 11 HIS HE1 . 17229 1
63 . 1 1 12 12 GLN H H 1 8.741 0.020 . 1 . . . . . 12 GLN H . 17229 1
64 . 1 1 12 12 GLN HA H 1 4.280 0.020 . 1 . . . . . 12 GLN HA . 17229 1
65 . 1 1 12 12 GLN HB2 H 1 1.417 0.020 . 2 . . . . . 12 GLN HB2 . 17229 1
66 . 1 1 12 12 GLN HB3 H 1 1.944 0.020 . 2 . . . . . 12 GLN HB3 . 17229 1
67 . 1 1 12 12 GLN HE21 H 1 7.010 0.020 . 2 . . . . . 12 GLN HE21 . 17229 1
68 . 1 1 12 12 GLN HE22 H 1 6.492 0.020 . 2 . . . . . 12 GLN HE22 . 17229 1
69 . 1 1 12 12 GLN HG2 H 1 1.628 0.020 . 2 . . . . . 12 GLN HG2 . 17229 1
70 . 1 1 12 12 GLN HG3 H 1 2.089 0.020 . 2 . . . . . 12 GLN HG3 . 17229 1
71 . 1 1 13 13 MET H H 1 9.197 0.020 . 1 . . . . . 13 MET H . 17229 1
72 . 1 1 13 13 MET HA H 1 4.671 0.020 . 1 . . . . . 13 MET HA . 17229 1
73 . 1 1 13 13 MET HB2 H 1 1.621 0.020 . 2 . . . . . 13 MET HB2 . 17229 1
74 . 1 1 13 13 MET HB3 H 1 1.943 0.020 . 2 . . . . . 13 MET HB3 . 17229 1
75 . 1 1 13 13 MET HG2 H 1 2.215 0.020 . 2 . . . . . 13 MET HG2 . 17229 1
76 . 1 1 13 13 MET HG3 H 1 2.303 0.020 . 2 . . . . . 13 MET HG3 . 17229 1
77 . 1 1 14 14 LYS H H 1 8.885 0.020 . 1 . . . . . 14 LYS H . 17229 1
78 . 1 1 14 14 LYS HA H 1 4.146 0.020 . 1 . . . . . 14 LYS HA . 17229 1
79 . 1 1 14 14 LYS HB2 H 1 1.734 0.020 . 2 . . . . . 14 LYS HB2 . 17229 1
80 . 1 1 14 14 LYS HB3 H 1 1.835 0.020 . 2 . . . . . 14 LYS HB3 . 17229 1
81 . 1 1 14 14 LYS HD2 H 1 1.279 0.020 . 2 . . . . . 14 LYS HD2 . 17229 1
82 . 1 1 14 14 LYS HD3 H 1 1.279 0.020 . 2 . . . . . 14 LYS HD3 . 17229 1
83 . 1 1 14 14 LYS HE2 H 1 2.308 0.020 . 2 . . . . . 14 LYS HE2 . 17229 1
84 . 1 1 14 14 LYS HE3 H 1 2.308 0.020 . 2 . . . . . 14 LYS HE3 . 17229 1
85 . 1 1 14 14 LYS HG2 H 1 1.216 0.020 . 2 . . . . . 14 LYS HG2 . 17229 1
86 . 1 1 14 14 LYS HG3 H 1 1.216 0.020 . 2 . . . . . 14 LYS HG3 . 17229 1
87 . 1 1 14 14 LYS HZ1 H 1 7.616 0.020 . 1 . . . . . 14 LYS HZ1 . 17229 1
88 . 1 1 14 14 LYS HZ2 H 1 7.616 0.020 . 1 . . . . . 14 LYS HZ2 . 17229 1
89 . 1 1 14 14 LYS HZ3 H 1 7.616 0.020 . 1 . . . . . 14 LYS HZ3 . 17229 1
90 . 1 1 15 15 ASP H H 1 7.889 0.020 . 1 . . . . . 15 ASP H . 17229 1
91 . 1 1 15 15 ASP HA H 1 4.840 0.020 . 1 . . . . . 15 ASP HA . 17229 1
92 . 1 1 15 15 ASP HB2 H 1 2.456 0.020 . 2 . . . . . 15 ASP HB2 . 17229 1
93 . 1 1 15 15 ASP HB3 H 1 2.884 0.020 . 2 . . . . . 15 ASP HB3 . 17229 1
94 . 1 1 16 16 CYS H H 1 7.613 0.020 . 1 . . . . . 16 CYS H . 17229 1
95 . 1 1 16 16 CYS HA H 1 3.652 0.020 . 1 . . . . . 16 CYS HA . 17229 1
96 . 1 1 16 16 CYS HB2 H 1 2.860 0.020 . 2 . . . . . 16 CYS HB2 . 17229 1
97 . 1 1 16 16 CYS HB3 H 1 3.238 0.020 . 2 . . . . . 16 CYS HB3 . 17229 1
98 . 1 1 17 17 THR H H 1 8.057 0.020 . 1 . . . . . 17 THR H . 17229 1
99 . 1 1 17 17 THR HA H 1 4.328 0.020 . 1 . . . . . 17 THR HA . 17229 1
100 . 1 1 17 17 THR HB H 1 4.363 0.020 . 1 . . . . . 17 THR HB . 17229 1
101 . 1 1 17 17 THR HG21 H 1 1.056 0.020 . 1 . . . . . 17 THR HG2 . 17229 1
102 . 1 1 17 17 THR HG22 H 1 1.056 0.020 . 1 . . . . . 17 THR HG2 . 17229 1
103 . 1 1 17 17 THR HG23 H 1 1.056 0.020 . 1 . . . . . 17 THR HG2 . 17229 1
104 . 1 1 18 18 GLU H H 1 8.712 0.020 . 1 . . . . . 18 GLU H . 17229 1
105 . 1 1 18 18 GLU HA H 1 4.189 0.020 . 1 . . . . . 18 GLU HA . 17229 1
106 . 1 1 18 18 GLU HB2 H 1 1.930 0.020 . 2 . . . . . 18 GLU HB2 . 17229 1
107 . 1 1 18 18 GLU HB3 H 1 2.060 0.020 . 2 . . . . . 18 GLU HB3 . 17229 1
108 . 1 1 18 18 GLU HG2 H 1 2.233 0.020 . 2 . . . . . 18 GLU HG2 . 17229 1
109 . 1 1 18 18 GLU HG3 H 1 2.391 0.020 . 2 . . . . . 18 GLU HG3 . 17229 1
110 . 1 1 19 19 ARG H H 1 7.881 0.020 . 1 . . . . . 19 ARG H . 17229 1
111 . 1 1 19 19 ARG HA H 1 4.068 0.020 . 1 . . . . . 19 ARG HA . 17229 1
112 . 1 1 19 19 ARG HB2 H 1 1.631 0.020 . 2 . . . . . 19 ARG HB2 . 17229 1
113 . 1 1 19 19 ARG HB3 H 1 1.763 0.020 . 2 . . . . . 19 ARG HB3 . 17229 1
114 . 1 1 19 19 ARG HD2 H 1 3.120 0.020 . 2 . . . . . 19 ARG HD2 . 17229 1
115 . 1 1 19 19 ARG HD3 H 1 3.120 0.020 . 2 . . . . . 19 ARG HD3 . 17229 1
116 . 1 1 19 19 ARG HG2 H 1 1.519 0.020 . 2 . . . . . 19 ARG HG2 . 17229 1
117 . 1 1 19 19 ARG HG3 H 1 1.519 0.020 . 2 . . . . . 19 ARG HG3 . 17229 1
118 . 2 2 1 1 DT H1' H 1 5.803 0.020 . 1 . . . . . 201 DT H1' . 17229 1
119 . 2 2 1 1 DT H2' H 1 1.422 0.020 . 2 . . . . . 201 DT H2' . 17229 1
120 . 2 2 1 1 DT H2'' H 1 1.996 0.020 . 2 . . . . . 201 DT H2'' . 17229 1
121 . 2 2 1 1 DT H3' H 1 4.483 0.020 . 1 . . . . . 201 DT H3' . 17229 1
122 . 2 2 1 1 DT H6 H 1 7.172 0.020 . 1 . . . . . 201 DT H6 . 17229 1
123 . 2 2 1 1 DT H71 H 1 1.720 0.020 . 1 . . . . . 201 DT H71 . 17229 1
124 . 2 2 1 1 DT H72 H 1 1.720 0.020 . 1 . . . . . 201 DT H72 . 17229 1
125 . 2 2 1 1 DT H73 H 1 1.720 0.020 . 1 . . . . . 201 DT H73 . 17229 1
126 . 2 2 2 2 DA H1' H 1 5.806 0.020 . 1 . . . . . 202 DA H1' . 17229 1
127 . 2 2 2 2 DA H2' H 1 2.493 0.020 . 2 . . . . . 202 DA H2' . 17229 1
128 . 2 2 2 2 DA H2'' H 1 2.614 0.020 . 2 . . . . . 202 DA H2'' . 17229 1
129 . 2 2 2 2 DA H3' H 1 4.889 0.020 . 1 . . . . . 202 DA H3' . 17229 1
130 . 2 2 2 2 DA H8 H 1 8.064 0.020 . 1 . . . . . 202 DA H8 . 17229 1
131 . 2 2 3 3 DC H1' H 1 6.203 0.020 . 1 . . . . . 203 DC H1' . 17229 1
132 . 2 2 3 3 DC H2' H 1 2.094 0.020 . 2 . . . . . 203 DC H2' . 17229 1
133 . 2 2 3 3 DC H2'' H 1 2.473 0.020 . 2 . . . . . 203 DC H2'' . 17229 1
134 . 2 2 3 3 DC H3' H 1 4.837 0.020 . 1 . . . . . 203 DC H3' . 17229 1
135 . 2 2 3 3 DC H5 H 1 5.908 0.020 . 1 . . . . . 203 DC H5 . 17229 1
136 . 2 2 3 3 DC H6 H 1 7.718 0.020 . 1 . . . . . 203 DC H6 . 17229 1
137 . 2 2 4 4 DG H1' H 1 5.950 0.020 . 1 . . . . . 204 DG H1' . 17229 1
138 . 2 2 4 4 DG H2' H 1 2.484 0.020 . 2 . . . . . 204 DG H2' . 17229 1
139 . 2 2 4 4 DG H2'' H 1 2.538 0.020 . 2 . . . . . 204 DG H2'' . 17229 1
140 . 2 2 4 4 DG H3' H 1 4.842 0.020 . 1 . . . . . 204 DG H3' . 17229 1
141 . 2 2 4 4 DG H8 H 1 7.740 0.020 . 1 . . . . . 204 DG H8 . 17229 1
142 . 2 2 5 5 DC H1' H 1 6.151 0.020 . 1 . . . . . 205 DC H1' . 17229 1
143 . 2 2 5 5 DC H2' H 1 2.200 0.020 . 2 . . . . . 205 DC H2' . 17229 1
144 . 2 2 5 5 DC H2'' H 1 2.323 0.020 . 2 . . . . . 205 DC H2'' . 17229 1
145 . 2 2 5 5 DC H3' H 1 4.458 0.020 . 1 . . . . . 205 DC H3' . 17229 1
146 . 2 2 5 5 DC H5 H 1 5.944 0.020 . 1 . . . . . 205 DC H5 . 17229 1
147 . 2 2 5 5 DC H6 H 1 7.769 0.020 . 1 . . . . . 205 DC H6 . 17229 1
148 . 2 2 6 6 DC H1' H 1 6.159 0.020 . 1 . . . . . 206 DC H1' . 17229 1
149 . 2 2 6 6 DC H2' H 1 2.174 0.020 . 2 . . . . . 206 DC H2' . 17229 1
150 . 2 2 6 6 DC H2'' H 1 2.465 0.020 . 2 . . . . . 206 DC H2'' . 17229 1
151 . 2 2 6 6 DC H3' H 1 4.734 0.020 . 1 . . . . . 206 DC H3' . 17229 1
152 . 2 2 6 6 DC H5 H 1 5.984 0.020 . 1 . . . . . 206 DC H5 . 17229 1
153 . 2 2 6 6 DC H6 H 1 7.791 0.020 . 1 . . . . . 206 DC H6 . 17229 1
stop_
save_