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 6817
_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 $sample_1 . 6817 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 H H 1 8.360 0.000 . 1 . . . . . . . . 6817 1
2 . 1 1 1 1 GLY HA2 H 1 3.869 0.006 . 2 . . . . . . . . 6817 1
3 . 1 1 1 1 GLY HA3 H 1 3.771 0.006 . 2 . . . . . . . . 6817 1
4 . 1 1 2 2 CYS H H 1 8.449 0.000 . 1 . . . . . . . . 6817 1
5 . 1 1 2 2 CYS HA H 1 4.397 0.003 . 1 . . . . . . . . 6817 1
6 . 1 1 2 2 CYS HB2 H 1 3.150 0.000 . 2 . . . . . . . . 6817 1
7 . 1 1 2 2 CYS HB3 H 1 2.632 0.004 . 2 . . . . . . . . 6817 1
8 . 1 1 3 3 CYS H H 1 8.314 0.003 . 1 . . . . . . . . 6817 1
9 . 1 1 3 3 CYS HA H 1 4.105 0.001 . 1 . . . . . . . . 6817 1
10 . 1 1 3 3 CYS HB2 H 1 3.060 0.004 . 2 . . . . . . . . 6817 1
11 . 1 1 3 3 CYS HB3 H 1 2.777 0.002 . 2 . . . . . . . . 6817 1
12 . 1 1 4 4 SER H H 1 7.749 0.002 . 1 . . . . . . . . 6817 1
13 . 1 1 4 4 SER HA H 1 4.397 0.000 . 1 . . . . . . . . 6817 1
14 . 1 1 4 4 SER HB2 H 1 3.835 0.003 . 2 . . . . . . . . 6817 1
15 . 1 1 5 5 ASN H H 1 7.881 0.000 . 1 . . . . . . . . 6817 1
16 . 1 1 5 5 ASN HA H 1 5.139 0.001 . 1 . . . . . . . . 6817 1
17 . 1 1 5 5 ASN HB2 H 1 3.075 0.005 . 2 . . . . . . . . 6817 1
18 . 1 1 5 5 ASN HB3 H 1 2.763 0.001 . 2 . . . . . . . . 6817 1
19 . 1 1 5 5 ASN HD21 H 1 7.923 0.002 . 2 . . . . . . . . 6817 1
20 . 1 1 5 5 ASN HD22 H 1 7.117 0.000 . 2 . . . . . . . . 6817 1
21 . 1 1 6 6 PRO HA H 1 4.144 0.001 . 1 . . . . . . . . 6817 1
22 . 1 1 6 6 PRO HB2 H 1 2.264 0.000 . 2 . . . . . . . . 6817 1
23 . 1 1 6 6 PRO HB3 H 1 1.913 0.000 . 2 . . . . . . . . 6817 1
24 . 1 1 6 6 PRO HG2 H 1 2.032 0.000 . 2 . . . . . . . . 6817 1
25 . 1 1 6 6 PRO HG3 H 1 1.960 0.000 . 2 . . . . . . . . 6817 1
26 . 1 1 6 6 PRO HD2 H 1 3.945 0.001 . 2 . . . . . . . . 6817 1
27 . 1 1 6 6 PRO HD3 H 1 3.791 0.001 . 2 . . . . . . . . 6817 1
28 . 1 1 7 7 VAL H H 1 7.372 0.002 . 1 . . . . . . . . 6817 1
29 . 1 1 7 7 VAL HA H 1 3.657 0.003 . 1 . . . . . . . . 6817 1
30 . 1 1 7 7 VAL HB H 1 1.956 0.001 . 1 . . . . . . . . 6817 1
31 . 1 1 7 7 VAL HG11 H 1 0.903 0.008 . 2 . . . . . . . . 6817 1
32 . 1 1 7 7 VAL HG12 H 1 0.903 0.008 . 2 . . . . . . . . 6817 1
33 . 1 1 7 7 VAL HG13 H 1 0.903 0.008 . 2 . . . . . . . . 6817 1
34 . 1 1 7 7 VAL HG21 H 1 0.766 0.015 . 2 . . . . . . . . 6817 1
35 . 1 1 7 7 VAL HG22 H 1 0.766 0.015 . 2 . . . . . . . . 6817 1
36 . 1 1 7 7 VAL HG23 H 1 0.766 0.015 . 2 . . . . . . . . 6817 1
37 . 1 1 8 8 CYS H H 1 7.822 0.003 . 1 . . . . . . . . 6817 1
38 . 1 1 8 8 CYS HA H 1 4.195 0.001 . 1 . . . . . . . . 6817 1
39 . 1 1 8 8 CYS HB2 H 1 4.120 0.002 . 2 . . . . . . . . 6817 1
40 . 1 1 8 8 CYS HB3 H 1 3.159 0.001 . 2 . . . . . . . . 6817 1
41 . 1 1 9 9 HIS H H 1 9.028 0.001 . 1 . . . . . . . . 6817 1
42 . 1 1 9 9 HIS HA H 1 4.077 0.005 . 1 . . . . . . . . 6817 1
43 . 1 1 9 9 HIS HB2 H 1 3.327 0.004 . 2 . . . . . . . . 6817 1
44 . 1 1 9 9 HIS HB3 H 1 3.169 0.001 . 2 . . . . . . . . 6817 1
45 . 1 1 9 9 HIS HD2 H 1 7.149 0.001 . 1 . . . . . . . . 6817 1
46 . 1 1 9 9 HIS HE1 H 1 8.601 0.000 . 1 . . . . . . . . 6817 1
47 . 1 1 10 10 LEU H H 1 7.430 0.003 . 1 . . . . . . . . 6817 1
48 . 1 1 10 10 LEU HA H 1 4.039 0.001 . 1 . . . . . . . . 6817 1
49 . 1 1 10 10 LEU HB2 H 1 1.682 0.002 . 2 . . . . . . . . 6817 1
50 . 1 1 10 10 LEU HG H 1 1.547 0.000 . 2 . . . . . . . . 6817 1
51 . 1 1 10 10 LEU HD11 H 1 0.816 0.000 . 2 . . . . . . . . 6817 1
52 . 1 1 10 10 LEU HD12 H 1 0.816 0.000 . 2 . . . . . . . . 6817 1
53 . 1 1 10 10 LEU HD13 H 1 0.816 0.000 . 2 . . . . . . . . 6817 1
54 . 1 1 10 10 LEU HD21 H 1 0.776 0.000 . 2 . . . . . . . . 6817 1
55 . 1 1 10 10 LEU HD22 H 1 0.776 0.000 . 2 . . . . . . . . 6817 1
56 . 1 1 10 10 LEU HD23 H 1 0.776 0.000 . 2 . . . . . . . . 6817 1
57 . 1 1 11 11 GLU H H 1 7.634 0.003 . 1 . . . . . . . . 6817 1
58 . 1 1 11 11 GLU HA H 1 3.970 0.003 . 1 . . . . . . . . 6817 1
59 . 1 1 11 11 GLU HB2 H 1 1.890 0.001 . 2 . . . . . . . . 6817 1
60 . 1 1 11 11 GLU HB3 H 1 1.645 0.005 . 2 . . . . . . . . 6817 1
61 . 1 1 11 11 GLU HG2 H 1 2.387 0.003 . 2 . . . . . . . . 6817 1
62 . 1 1 11 11 GLU HG3 H 1 2.166 0.000 . 2 . . . . . . . . 6817 1
63 . 1 1 12 12 HIS H H 1 7.853 0.003 . 1 . . . . . . . . 6817 1
64 . 1 1 12 12 HIS HA H 1 4.910 0.003 . 1 . . . . . . . . 6817 1
65 . 1 1 12 12 HIS HB2 H 1 3.203 0.002 . 2 . . . . . . . . 6817 1
66 . 1 1 12 12 HIS HB3 H 1 2.934 0.010 . 2 . . . . . . . . 6817 1
67 . 1 1 12 12 HIS HD1 H 1 7.487 0.000 . 2 . . . . . . . . 6817 1
68 . 1 1 12 12 HIS HD2 H 1 7.486 0.002 . 2 . . . . . . . . 6817 1
69 . 1 1 12 12 HIS HE1 H 1 8.594 0.000 . 2 . . . . . . . . 6817 1
70 . 1 1 13 13 SER H H 1 7.751 0.004 . 1 . . . . . . . . 6817 1
71 . 1 1 13 13 SER HA H 1 4.392 0.002 . 1 . . . . . . . . 6817 1
72 . 1 1 13 13 SER HB2 H 1 3.902 0.004 . 2 . . . . . . . . 6817 1
73 . 1 1 13 13 SER HB3 H 1 3.850 0.003 . 2 . . . . . . . . 6817 1
74 . 1 1 14 14 ASN H H 1 8.549 0.000 . 1 . . . . . . . . 6817 1
75 . 1 1 14 14 ASN HA H 1 4.400 0.000 . 1 . . . . . . . . 6817 1
76 . 1 1 14 14 ASN HB2 H 1 2.749 0.006 . 2 . . . . . . . . 6817 1
77 . 1 1 14 14 ASN HD21 H 1 7.633 0.002 . 2 . . . . . . . . 6817 1
78 . 1 1 14 14 ASN HD22 H 1 6.876 0.001 . 2 . . . . . . . . 6817 1
79 . 1 1 15 15 LEU H H 1 7.781 0.000 . 1 . . . . . . . . 6817 1
80 . 1 1 15 15 LEU HA H 1 4.258 0.000 . 1 . . . . . . . . 6817 1
81 . 1 1 15 15 LEU HB2 H 1 1.684 0.007 . 2 . . . . . . . . 6817 1
82 . 1 1 15 15 LEU HB3 H 1 1.589 0.003 . 2 . . . . . . . . 6817 1
83 . 1 1 15 15 LEU HG H 1 1.487 0.008 . 2 . . . . . . . . 6817 1
84 . 1 1 15 15 LEU HD11 H 1 0.756 0.000 . 2 . . . . . . . . 6817 1
85 . 1 1 15 15 LEU HD12 H 1 0.756 0.000 . 2 . . . . . . . . 6817 1
86 . 1 1 15 15 LEU HD13 H 1 0.756 0.000 . 2 . . . . . . . . 6817 1
87 . 1 1 15 15 LEU HD21 H 1 0.690 0.000 . 2 . . . . . . . . 6817 1
88 . 1 1 15 15 LEU HD22 H 1 0.690 0.000 . 2 . . . . . . . . 6817 1
89 . 1 1 15 15 LEU HD23 H 1 0.690 0.000 . 2 . . . . . . . . 6817 1
90 . 1 1 16 16 CYS H H 1 7.688 0.003 . 1 . . . . . . . . 6817 1
91 . 1 1 16 16 CYS HA H 1 4.673 0.002 . 1 . . . . . . . . 6817 1
92 . 1 1 16 16 CYS HB2 H 1 2.735 0.000 . 2 . . . . . . . . 6817 1
93 . 1 1 16 16 CYS HB3 H 1 2.222 0.000 . 2 . . . . . . . . 6817 1
94 . 1 1 17 17 GLY H H 1 8.133 0.001 . 1 . . . . . . . . 6817 1
95 . 1 1 17 17 GLY HA2 H 1 4.012 0.004 . 2 . . . . . . . . 6817 1
96 . 1 1 17 17 GLY HA3 H 1 3.799 0.000 . 2 . . . . . . . . 6817 1
97 . 1 1 18 18 ALA H H 1 8.078 0.006 . 1 . . . . . . . . 6817 1
98 . 1 1 18 18 ALA HA H 1 4.273 0.004 . 1 . . . . . . . . 6817 1
99 . 1 1 18 18 ALA HB1 H 1 1.297 0.000 . 1 . . . . . . . . 6817 1
100 . 1 1 18 18 ALA HB2 H 1 1.297 0.000 . 1 . . . . . . . . 6817 1
101 . 1 1 18 18 ALA HB3 H 1 1.297 0.000 . 1 . . . . . . . . 6817 1
102 . 1 1 19 19 GLY H H 1 8.223 0.002 . 1 . . . . . . . . 6817 1
103 . 1 1 19 19 GLY HA2 H 1 3.933 0.000 . 2 . . . . . . . . 6817 1
104 . 1 1 19 19 GLY HA3 H 1 3.768 0.000 . 2 . . . . . . . . 6817 1
105 . 1 1 20 20 GLY H H 1 8.072 0.001 . 1 . . . . . . . . 6817 1
106 . 1 1 20 20 GLY HA2 H 1 3.876 0.000 . 2 . . . . . . . . 6817 1
107 . 1 1 20 20 GLY HA3 H 1 3.782 0.000 . 2 . . . . . . . . 6817 1
108 . 1 1 21 21 ALA H H 1 8.053 0.000 . 1 . . . . . . . . 6817 1
109 . 1 1 21 21 ALA HA H 1 4.194 0.000 . 1 . . . . . . . . 6817 1
110 . 1 1 21 21 ALA HB1 H 1 1.233 0.000 . 1 . . . . . . . . 6817 1
111 . 1 1 21 21 ALA HB2 H 1 1.233 0.000 . 1 . . . . . . . . 6817 1
112 . 1 1 21 21 ALA HB3 H 1 1.233 0.000 . 1 . . . . . . . . 6817 1
113 . 1 1 22 22 ALA H H 1 8.266 0.000 . 1 . . . . . . . . 6817 1
114 . 1 1 22 22 ALA HA H 1 4.176 0.000 . 1 . . . . . . . . 6817 1
115 . 1 1 22 22 ALA HB1 H 1 1.245 0.005 . 1 . . . . . . . . 6817 1
116 . 1 1 22 22 ALA HB2 H 1 1.245 0.005 . 1 . . . . . . . . 6817 1
117 . 1 1 22 22 ALA HB3 H 1 1.245 0.005 . 1 . . . . . . . . 6817 1
118 . 1 1 23 23 GLY H H 1 8.182 0.001 . 1 . . . . . . . . 6817 1
119 . 1 1 23 23 GLY HA2 H 1 3.914 0.000 . 2 . . . . . . . . 6817 1
120 . 1 1 23 23 GLY HA3 H 1 3.781 0.000 . 2 . . . . . . . . 6817 1
stop_
save_