Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6872
_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_reference
_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 NOESY' 1 $sample_1 . 6872 1
2 '2D TOCSY' 1 $sample_1 . 6872 1
3 DQF-COSY 1 $sample_1 . 6872 1
4 E-COSY 1 $sample_1 . 6872 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 1 1 CYS H H 1 7.587 0.002 . . . . . . . . . . . 6872 1
2 . 1 1 1 1 CYS HA H 1 4.952 0.003 . . . . . . . . . . . 6872 1
3 . 1 1 1 1 CYS HB2 H 1 3.629 0.002 . . . . . . . . . . . 6872 1
4 . 1 1 1 1 CYS HB3 H 1 2.311 0.002 . . . . . . . . . . . 6872 1
5 . 1 1 2 2 GLY H H 1 8.410 0.001 . . . . . . . . . . . 6872 1
6 . 1 1 2 2 GLY HA2 H 1 3.804 0.152 . . . . . . . . . . . 6872 1
7 . 1 1 2 2 GLY HA3 H 1 3.533 0.046 . . . . . . . . . . . 6872 1
8 . 1 1 3 3 GLU HA H 1 4.483 0.003 . . . . . . . . . . . 6872 1
9 . 1 1 3 3 GLU HB2 H 1 2.560 0.006 . . . . . . . . . . . 6872 1
10 . 1 1 3 3 GLU HB3 H 1 2.402 0.008 . . . . . . . . . . . 6872 1
11 . 1 1 3 3 GLU HG2 H 1 1.952 0.004 . . . . . . . . . . . 6872 1
12 . 1 1 3 3 GLU HG3 H 1 1.798 0.007 . . . . . . . . . . . 6872 1
13 . 1 1 4 4 THR H H 1 8.581 0.002 . . . . . . . . . . . 6872 1
14 . 1 1 4 4 THR HA H 1 4.388 0.003 . . . . . . . . . . . 6872 1
15 . 1 1 4 4 THR HB H 1 4.270 0.005 . . . . . . . . . . . 6872 1
16 . 1 1 4 4 THR HG21 H 1 1.201 0.008 . . . . . . . . . . . 6872 1
17 . 1 1 4 4 THR HG22 H 1 1.201 0.008 . . . . . . . . . . . 6872 1
18 . 1 1 4 4 THR HG23 H 1 1.201 0.008 . . . . . . . . . . . 6872 1
19 . 1 1 5 5 CYS H H 1 8.297 0.004 . . . . . . . . . . . 6872 1
20 . 1 1 5 5 CYS HA H 1 4.971 0.003 . . . . . . . . . . . 6872 1
21 . 1 1 5 5 CYS HB2 H 1 2.865 0.008 . . . . . . . . . . . 6872 1
22 . 1 1 5 5 CYS HB3 H 1 2.343 0.007 . . . . . . . . . . . 6872 1
23 . 1 1 6 6 LEU H H 1 8.837 0.002 . . . . . . . . . . . 6872 1
24 . 1 1 6 6 LEU HA H 1 3.843 0.005 . . . . . . . . . . . 6872 1
25 . 1 1 6 6 LEU HB2 H 1 1.585 0.007 . . . . . . . . . . . 6872 1
26 . 1 1 6 6 LEU HG H 1 1.459 0.010 . . . . . . . . . . . 6872 1
27 . 1 1 6 6 LEU HD11 H 1 0.807 0.005 . . . . . . . . . . . 6872 1
28 . 1 1 6 6 LEU HD12 H 1 0.807 0.005 . . . . . . . . . . . 6872 1
29 . 1 1 6 6 LEU HD13 H 1 0.807 0.005 . . . . . . . . . . . 6872 1
30 . 1 1 6 6 LEU HD21 H 1 0.807 0.005 . . . . . . . . . . . 6872 1
31 . 1 1 6 6 LEU HD22 H 1 0.807 0.005 . . . . . . . . . . . 6872 1
32 . 1 1 6 6 LEU HD23 H 1 0.807 0.005 . . . . . . . . . . . 6872 1
33 . 1 1 7 7 LEU H H 1 7.994 0.003 . . . . . . . . . . . 6872 1
34 . 1 1 7 7 LEU HA H 1 4.382 0.002 . . . . . . . . . . . 6872 1
35 . 1 1 7 7 LEU HB2 H 1 1.629 0.011 . . . . . . . . . . . 6872 1
36 . 1 1 7 7 LEU HB3 H 1 1.560 0.007 . . . . . . . . . . . 6872 1
37 . 1 1 7 7 LEU HG H 1 1.419 0.007 . . . . . . . . . . . 6872 1
38 . 1 1 7 7 LEU HD11 H 1 0.765 0.007 . . . . . . . . . . . 6872 1
39 . 1 1 7 7 LEU HD12 H 1 0.765 0.007 . . . . . . . . . . . 6872 1
40 . 1 1 7 7 LEU HD13 H 1 0.765 0.007 . . . . . . . . . . . 6872 1
41 . 1 1 7 7 LEU HD21 H 1 0.689 0.005 . . . . . . . . . . . 6872 1
42 . 1 1 7 7 LEU HD22 H 1 0.689 0.005 . . . . . . . . . . . 6872 1
43 . 1 1 7 7 LEU HD23 H 1 0.689 0.005 . . . . . . . . . . . 6872 1
44 . 1 1 8 8 GLY H H 1 7.673 0.006 . . . . . . . . . . . 6872 1
45 . 1 1 8 8 GLY HA2 H 1 4.143 0.003 . . . . . . . . . . . 6872 1
46 . 1 1 8 8 GLY HA3 H 1 3.736 0.005 . . . . . . . . . . . 6872 1
47 . 1 1 9 9 THR H H 1 7.355 0.007 . . . . . . . . . . . 6872 1
48 . 1 1 9 9 THR HA H 1 4.325 0.003 . . . . . . . . . . . 6872 1
49 . 1 1 9 9 THR HB H 1 3.538 0.007 . . . . . . . . . . . 6872 1
50 . 1 1 9 9 THR HG21 H 1 0.557 0.009 . . . . . . . . . . . 6872 1
51 . 1 1 9 9 THR HG22 H 1 0.557 0.009 . . . . . . . . . . . 6872 1
52 . 1 1 9 9 THR HG23 H 1 0.557 0.009 . . . . . . . . . . . 6872 1
53 . 1 1 10 10 CYS H H 1 8.690 0.002 . . . . . . . . . . . 6872 1
54 . 1 1 10 10 CYS HA H 1 4.300 0.004 . . . . . . . . . . . 6872 1
55 . 1 1 10 10 CYS HB2 H 1 2.548 0.001 . . . . . . . . . . . 6872 1
56 . 1 1 10 10 CYS HB3 H 1 2.944 0.001 . . . . . . . . . . . 6872 1
57 . 1 1 11 11 TYR H H 1 8.699 0.002 . . . . . . . . . . . 6872 1
58 . 1 1 11 11 TYR HA H 1 4.209 0.002 . . . . . . . . . . . 6872 1
59 . 1 1 11 11 TYR HB2 H 1 2.983 0.008 . . . . . . . . . . . 6872 1
60 . 1 1 11 11 TYR HB3 H 1 2.694 0.008 . . . . . . . . . . . 6872 1
61 . 1 1 11 11 TYR HE1 H 1 6.596 0.002 . . . . . . . . . . . 6872 1
62 . 1 1 11 11 TYR HD1 H 1 6.955 0.007 . . . . . . . . . . . 6872 1
63 . 1 1 12 12 THR H H 1 7.956 0.004 . . . . . . . . . . . 6872 1
64 . 1 1 12 12 THR HA H 1 4.167 0.002 . . . . . . . . . . . 6872 1
65 . 1 1 12 12 THR HB H 1 4.006 0.005 . . . . . . . . . . . 6872 1
66 . 1 1 12 12 THR HG21 H 1 1.172 0.008 . . . . . . . . . . . 6872 1
67 . 1 1 12 12 THR HG22 H 1 1.172 0.008 . . . . . . . . . . . 6872 1
68 . 1 1 12 12 THR HG23 H 1 1.172 0.008 . . . . . . . . . . . 6872 1
69 . 1 1 13 13 THR H H 1 8.452 0.005 . . . . . . . . . . . 6872 1
70 . 1 1 13 13 THR HA H 1 3.728 0.002 . . . . . . . . . . . 6872 1
71 . 1 1 13 13 THR HB H 1 3.835 0.005 . . . . . . . . . . . 6872 1
72 . 1 1 13 13 THR HG21 H 1 1.059 0.007 . . . . . . . . . . . 6872 1
73 . 1 1 13 13 THR HG22 H 1 1.059 0.007 . . . . . . . . . . . 6872 1
74 . 1 1 13 13 THR HG23 H 1 1.059 0.007 . . . . . . . . . . . 6872 1
75 . 1 1 14 14 GLY H H 1 8.790 0.002 . . . . . . . . . . . 6872 1
76 . 1 1 14 14 GLY HA2 H 1 4.018 0.003 . . . . . . . . . . . 6872 1
77 . 1 1 14 14 GLY HA3 H 1 3.505 0.008 . . . . . . . . . . . 6872 1
78 . 1 1 15 15 CYS H H 1 7.602 0.005 . . . . . . . . . . . 6872 1
79 . 1 1 15 15 CYS HA H 1 4.883 0.005 . . . . . . . . . . . 6872 1
80 . 1 1 15 15 CYS HB2 H 1 3.281 0.008 . . . . . . . . . . . 6872 1
81 . 1 1 15 15 CYS HB3 H 1 2.479 0.007 . . . . . . . . . . . 6872 1
82 . 1 1 16 16 THR H H 1 9.369 0.003 . . . . . . . . . . . 6872 1
83 . 1 1 16 16 THR HA H 1 4.356 0.005 . . . . . . . . . . . 6872 1
84 . 1 1 16 16 THR HB H 1 3.917 0.004 . . . . . . . . . . . 6872 1
85 . 1 1 16 16 THR HG21 H 1 0.953 0.008 . . . . . . . . . . . 6872 1
86 . 1 1 16 16 THR HG22 H 1 0.953 0.008 . . . . . . . . . . . 6872 1
87 . 1 1 16 16 THR HG23 H 1 0.953 0.008 . . . . . . . . . . . 6872 1
88 . 1 1 17 17 CYS H H 1 8.669 0.005 . . . . . . . . . . . 6872 1
89 . 1 1 17 17 CYS HA H 1 4.355 0.004 . . . . . . . . . . . 6872 1
90 . 1 1 17 17 CYS HB2 H 1 2.791 0.007 . . . . . . . . . . . 6872 1
91 . 1 1 17 17 CYS HB3 H 1 2.552 0.011 . . . . . . . . . . . 6872 1
92 . 1 1 18 18 ASN H H 1 8.624 0.005 . . . . . . . . . . . 6872 1
93 . 1 1 18 18 ASN HA H 1 4.559 0.002 . . . . . . . . . . . 6872 1
94 . 1 1 18 18 ASN HB2 H 1 3.408 0.005 . . . . . . . . . . . 6872 1
95 . 1 1 18 18 ASN HB3 H 1 2.870 0.005 . . . . . . . . . . . 6872 1
96 . 1 1 18 18 ASN HD21 H 1 7.120 0.004 . . . . . . . . . . . 6872 1
97 . 1 1 18 18 ASN HD22 H 1 7.412 0.002 . . . . . . . . . . . 6872 1
98 . 1 1 19 19 LYS H H 1 8.256 0.006 . . . . . . . . . . . 6872 1
99 . 1 1 19 19 LYS HA H 1 3.820 0.003 . . . . . . . . . . . 6872 1
100 . 1 1 19 19 LYS HB2 H 1 1.465 0.010 . . . . . . . . . . . 6872 1
101 . 1 1 19 19 LYS HG2 H 1 0.324 0.008 . . . . . . . . . . . 6872 1
102 . 1 1 19 19 LYS HD2 H 1 1.253 0.010 . . . . . . . . . . . 6872 1
103 . 1 1 19 19 LYS HD3 H 1 0.784 0.009 . . . . . . . . . . . 6872 1
104 . 1 1 19 19 LYS HE2 H 1 2.589 0.003 . . . . . . . . . . . 6872 1
105 . 1 1 19 19 LYS HZ1 H 1 7.324 0.001 . . . . . . . . . . . 6872 1
106 . 1 1 19 19 LYS HZ2 H 1 7.324 0.001 . . . . . . . . . . . 6872 1
107 . 1 1 19 19 LYS HZ3 H 1 7.324 0.001 . . . . . . . . . . . 6872 1
108 . 1 1 20 20 TYR H H 1 7.410 0.009 . . . . . . . . . . . 6872 1
109 . 1 1 20 20 TYR HA H 1 4.402 0.006 . . . . . . . . . . . 6872 1
110 . 1 1 20 20 TYR HB2 H 1 3.226 0.007 . . . . . . . . . . . 6872 1
111 . 1 1 20 20 TYR HB3 H 1 2.576 0.011 . . . . . . . . . . . 6872 1
112 . 1 1 20 20 TYR HE1 H 1 6.645 0.003 . . . . . . . . . . . 6872 1
113 . 1 1 20 20 TYR HD1 H 1 6.897 0.002 . . . . . . . . . . . 6872 1
114 . 1 1 21 21 ARG H H 1 8.095 0.005 . . . . . . . . . . . 6872 1
115 . 1 1 21 21 ARG HA H 1 3.635 0.001 . . . . . . . . . . . 6872 1
116 . 1 1 21 21 ARG HB2 H 1 2.143 0.005 . . . . . . . . . . . 6872 1
117 . 1 1 21 21 ARG HG2 H 1 1.496 0.010 . . . . . . . . . . . 6872 1
118 . 1 1 21 21 ARG HG3 H 1 1.434 0.007 . . . . . . . . . . . 6872 1
119 . 1 1 21 21 ARG HD2 H 1 3.054 0.004 . . . . . . . . . . . 6872 1
120 . 1 1 21 21 ARG HE H 1 6.735 0.005 . . . . . . . . . . . 6872 1
121 . 1 1 22 22 VAL H H 1 7.666 0.008 . . . . . . . . . . . 6872 1
122 . 1 1 22 22 VAL HA H 1 4.050 0.004 . . . . . . . . . . . 6872 1
123 . 1 1 22 22 VAL HB H 1 1.681 0.007 . . . . . . . . . . . 6872 1
124 . 1 1 22 22 VAL HG11 H 1 0.712 0.008 . . . . . . . . . . . 6872 1
125 . 1 1 22 22 VAL HG12 H 1 0.712 0.008 . . . . . . . . . . . 6872 1
126 . 1 1 22 22 VAL HG13 H 1 0.712 0.008 . . . . . . . . . . . 6872 1
127 . 1 1 22 22 VAL HG21 H 1 0.677 0.002 . . . . . . . . . . . 6872 1
128 . 1 1 22 22 VAL HG22 H 1 0.677 0.002 . . . . . . . . . . . 6872 1
129 . 1 1 22 22 VAL HG23 H 1 0.677 0.002 . . . . . . . . . . . 6872 1
130 . 1 1 23 23 CYS H H 1 8.209 0.003 . . . . . . . . . . . 6872 1
131 . 1 1 23 23 CYS HA H 1 4.928 0.005 . . . . . . . . . . . 6872 1
132 . 1 1 23 23 CYS HB2 H 1 3.110 0.007 . . . . . . . . . . . 6872 1
133 . 1 1 23 23 CYS HB3 H 1 2.602 0.010 . . . . . . . . . . . 6872 1
134 . 1 1 24 24 THR H H 1 9.492 0.002 . . . . . . . . . . . 6872 1
135 . 1 1 24 24 THR HA H 1 4.725 0.009 . . . . . . . . . . . 6872 1
136 . 1 1 24 24 THR HB H 1 3.735 0.002 . . . . . . . . . . . 6872 1
137 . 1 1 24 24 THR HG21 H 1 0.885 0.007 . . . . . . . . . . . 6872 1
138 . 1 1 24 24 THR HG22 H 1 0.885 0.007 . . . . . . . . . . . 6872 1
139 . 1 1 24 24 THR HG23 H 1 0.885 0.007 . . . . . . . . . . . 6872 1
140 . 1 1 25 25 LYS H H 1 8.450 0.004 . . . . . . . . . . . 6872 1
141 . 1 1 25 25 LYS HA H 1 4.540 0.003 . . . . . . . . . . . 6872 1
142 . 1 1 25 25 LYS HB2 H 1 1.650 0.005 . . . . . . . . . . . 6872 1
143 . 1 1 25 25 LYS HG2 H 1 1.194 0.005 . . . . . . . . . . . 6872 1
144 . 1 1 25 25 LYS HG3 H 1 1.057 0.005 . . . . . . . . . . . 6872 1
145 . 1 1 25 25 LYS HD2 H 1 1.483 0.002 . . . . . . . . . . . 6872 1
146 . 1 1 25 25 LYS HD3 H 1 1.440 0.001 . . . . . . . . . . . 6872 1
147 . 1 1 25 25 LYS HE2 H 1 2.754 0.004 . . . . . . . . . . . 6872 1
148 . 1 1 25 25 LYS HZ1 H 1 7.416 0.001 . . . . . . . . . . . 6872 1
149 . 1 1 25 25 LYS HZ2 H 1 7.416 0.001 . . . . . . . . . . . 6872 1
150 . 1 1 25 25 LYS HZ3 H 1 7.416 0.001 . . . . . . . . . . . 6872 1
151 . 1 1 26 26 ASP H H 1 9.485 0.002 . . . . . . . . . . . 6872 1
152 . 1 1 26 26 ASP HA H 1 4.199 0.002 . . . . . . . . . . . 6872 1
153 . 1 1 26 26 ASP HB2 H 1 2.908 0.009 . . . . . . . . . . . 6872 1
154 . 1 1 26 26 ASP HB3 H 1 2.622 0.004 . . . . . . . . . . . 6872 1
155 . 1 1 27 27 GLY H H 1 8.575 0.002 . . . . . . . . . . . 6872 1
156 . 1 1 27 27 GLY HA2 H 1 4.021 0.002 . . . . . . . . . . . 6872 1
157 . 1 1 27 27 GLY HA3 H 1 3.530 0.006 . . . . . . . . . . . 6872 1
158 . 1 1 28 28 SER H H 1 7.746 0.007 . . . . . . . . . . . 6872 1
159 . 1 1 28 28 SER HA H 1 4.692 0.003 . . . . . . . . . . . 6872 1
160 . 1 1 28 28 SER HB2 H 1 3.753 0.007 . . . . . . . . . . . 6872 1
161 . 1 1 28 28 SER HB3 H 1 3.648 0.006 . . . . . . . . . . . 6872 1
162 . 1 1 29 29 VAL H H 1 8.202 0.003 . . . . . . . . . . . 6872 1
163 . 1 1 29 29 VAL HA H 1 4.186 0.003 . . . . . . . . . . . 6872 1
164 . 1 1 29 29 VAL HB H 1 2.154 0.007 . . . . . . . . . . . 6872 1
165 . 1 1 29 29 VAL HG11 H 1 0.803 0.010 . . . . . . . . . . . 6872 1
166 . 1 1 29 29 VAL HG12 H 1 0.803 0.010 . . . . . . . . . . . 6872 1
167 . 1 1 29 29 VAL HG13 H 1 0.803 0.010 . . . . . . . . . . . 6872 1
168 . 1 1 29 29 VAL HG21 H 1 0.751 0.002 . . . . . . . . . . . 6872 1
169 . 1 1 29 29 VAL HG22 H 1 0.751 0.002 . . . . . . . . . . . 6872 1
170 . 1 1 29 29 VAL HG23 H 1 0.751 0.002 . . . . . . . . . . . 6872 1
171 . 1 1 30 30 LEU H H 1 8.134 0.002 . . . . . . . . . . . 6872 1
172 . 1 1 30 30 LEU HA H 1 3.956 0.002 . . . . . . . . . . . 6872 1
173 . 1 1 30 30 LEU HB2 H 1 1.440 0.011 . . . . . . . . . . . 6872 1
174 . 1 1 30 30 LEU HG H 1 1.362 0.005 . . . . . . . . . . . 6872 1
175 . 1 1 30 30 LEU HD11 H 1 0.751 0.002 . . . . . . . . . . . 6872 1
176 . 1 1 30 30 LEU HD12 H 1 0.751 0.002 . . . . . . . . . . . 6872 1
177 . 1 1 30 30 LEU HD13 H 1 0.751 0.002 . . . . . . . . . . . 6872 1
178 . 1 1 30 30 LEU HD21 H 1 0.708 0.002 . . . . . . . . . . . 6872 1
179 . 1 1 30 30 LEU HD22 H 1 0.708 0.002 . . . . . . . . . . . 6872 1
180 . 1 1 30 30 LEU HD23 H 1 0.708 0.002 . . . . . . . . . . . 6872 1
181 . 1 1 31 31 ASN H H 1 8.257 0.001 . . . . . . . . . . . 6872 1
182 . 1 1 31 31 ASN HA H 1 4.412 0.002 . . . . . . . . . . . 6872 1
183 . 1 1 31 31 ASN HB2 H 1 2.719 0.003 . . . . . . . . . . . 6872 1
stop_
save_