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 4585
_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_ref_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 $sample_1 . 4585 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 VAL HA H 1 3.822 0.01 . 1 . . . . . . . . 4585 1
2 . 1 1 1 1 VAL HB H 1 2.102 0.01 . 1 . . . . . . . . 4585 1
3 . 1 1 1 1 VAL HG11 H 1 0.930 0.01 . 2 . . . . . . . . 4585 1
4 . 1 1 1 1 VAL HG12 H 1 0.930 0.01 . 2 . . . . . . . . 4585 1
5 . 1 1 1 1 VAL HG13 H 1 0.930 0.01 . 2 . . . . . . . . 4585 1
6 . 1 1 1 1 VAL HG21 H 1 0.843 0.01 . 2 . . . . . . . . 4585 1
7 . 1 1 1 1 VAL HG22 H 1 0.843 0.01 . 2 . . . . . . . . 4585 1
8 . 1 1 1 1 VAL HG23 H 1 0.843 0.01 . 2 . . . . . . . . 4585 1
9 . 1 1 2 2 GLY H H 1 8.645 0.01 . 1 . . . . . . . . 4585 1
10 . 1 1 2 2 GLY HA2 H 1 4.234 0.01 . 2 . . . . . . . . 4585 1
11 . 1 1 2 2 GLY HA3 H 1 4.012 0.01 . 2 . . . . . . . . 4585 1
12 . 1 1 3 3 CYS H H 1 8.561 0.01 . 1 . . . . . . . . 4585 1
13 . 1 1 3 3 CYS HA H 1 4.414 0.01 . 1 . . . . . . . . 4585 1
14 . 1 1 3 3 CYS HB2 H 1 3.224 0.01 . 2 . . . . . . . . 4585 1
15 . 1 1 3 3 CYS HB3 H 1 2.966 0.01 . 2 . . . . . . . . 4585 1
16 . 1 1 4 4 GLU H H 1 8.759 0.01 . 1 . . . . . . . . 4585 1
17 . 1 1 4 4 GLU HA H 1 4.136 0.01 . 1 . . . . . . . . 4585 1
18 . 1 1 4 4 GLU HB2 H 1 2.057 0.01 . 1 . . . . . . . . 4585 1
19 . 1 1 4 4 GLU HB3 H 1 2.057 0.01 . 1 . . . . . . . . 4585 1
20 . 1 1 4 4 GLU HG2 H 1 2.455 0.01 . 1 . . . . . . . . 4585 1
21 . 1 1 4 4 GLU HG3 H 1 2.455 0.01 . 1 . . . . . . . . 4585 1
22 . 1 1 5 5 GLU H H 1 8.056 0.01 . 1 . . . . . . . . 4585 1
23 . 1 1 5 5 GLU HA H 1 4.428 0.01 . 1 . . . . . . . . 4585 1
24 . 1 1 5 5 GLU HB2 H 1 1.933 0.01 . 1 . . . . . . . . 4585 1
25 . 1 1 5 5 GLU HB3 H 1 2.197 0.01 . 1 . . . . . . . . 4585 1
26 . 1 1 5 5 GLU HG2 H 1 2.408 0.01 . 1 . . . . . . . . 4585 1
27 . 1 1 5 5 GLU HG3 H 1 2.408 0.01 . 1 . . . . . . . . 4585 1
28 . 1 1 6 6 CYS H H 1 7.847 0.01 . 1 . . . . . . . . 4585 1
29 . 1 1 6 6 CYS HA H 1 4.829 0.03 . 1 . . . . . . . . 4585 1
30 . 1 1 6 6 CYS HB2 H 1 3.027 0.01 . 1 . . . . . . . . 4585 1
31 . 1 1 6 6 CYS HB3 H 1 3.027 0.01 . 1 . . . . . . . . 4585 1
32 . 1 1 7 7 PRO HA H 1 4.204 0.01 . 1 . . . . . . . . 4585 1
33 . 1 1 7 7 PRO HB2 H 1 2.328 0.01 . 2 . . . . . . . . 4585 1
34 . 1 1 7 7 PRO HB3 H 1 1.856 0.01 . 2 . . . . . . . . 4585 1
35 . 1 1 7 7 PRO HG2 H 1 2.075 0.01 . 2 . . . . . . . . 4585 1
36 . 1 1 7 7 PRO HG3 H 1 1.933 0.01 . 2 . . . . . . . . 4585 1
37 . 1 1 7 7 PRO HD2 H 1 3.746 0.01 . 2 . . . . . . . . 4585 1
38 . 1 1 7 7 PRO HD3 H 1 3.572 0.01 . 2 . . . . . . . . 4585 1
39 . 1 1 8 8 MET H H 1 7.812 0.01 . 1 . . . . . . . . 4585 1
40 . 1 1 8 8 MET HA H 1 4.244 0.01 . 1 . . . . . . . . 4585 1
41 . 1 1 8 8 MET HB2 H 1 2.025 0.01 . 1 . . . . . . . . 4585 1
42 . 1 1 8 8 MET HB3 H 1 2.025 0.01 . 1 . . . . . . . . 4585 1
43 . 1 1 8 8 MET HG2 H 1 2.581 0.01 . 2 . . . . . . . . 4585 1
44 . 1 1 8 8 MET HG3 H 1 2.533 0.01 . 2 . . . . . . . . 4585 1
45 . 1 1 8 8 MET HE1 H 1 2.020 0.01 . 1 . . . . . . . . 4585 1
46 . 1 1 8 8 MET HE2 H 1 2.020 0.01 . 1 . . . . . . . . 4585 1
47 . 1 1 8 8 MET HE3 H 1 2.020 0.01 . 1 . . . . . . . . 4585 1
48 . 1 1 9 9 HIS H H 1 8.107 0.01 . 1 . . . . . . . . 4585 1
49 . 1 1 9 9 HIS HA H 1 4.607 0.01 . 1 . . . . . . . . 4585 1
50 . 1 1 9 9 HIS HB2 H 1 3.404 0.01 . 2 . . . . . . . . 4585 1
51 . 1 1 9 9 HIS HB3 H 1 3.190 0.01 . 2 . . . . . . . . 4585 1
52 . 1 1 9 9 HIS HD2 H 1 7.176 0.01 . 1 . . . . . . . . 4585 1
53 . 1 1 9 9 HIS HE1 H 1 8.679 0.01 . 1 . . . . . . . . 4585 1
54 . 1 1 10 10 CYS H H 1 8.115 0.01 . 1 . . . . . . . . 4585 1
55 . 1 1 10 10 CYS HA H 1 4.771 0.03 . 1 . . . . . . . . 4585 1
56 . 1 1 10 10 CYS HB2 H 1 3.129 0.01 . 2 . . . . . . . . 4585 1
57 . 1 1 10 10 CYS HB3 H 1 2.615 0.01 . 2 . . . . . . . . 4585 1
58 . 1 1 11 11 LYS H H 1 8.110 0.01 . 1 . . . . . . . . 4585 1
59 . 1 1 11 11 LYS HA H 1 4.254 0.01 . 1 . . . . . . . . 4585 1
60 . 1 1 11 11 LYS HB2 H 1 1.823 0.01 . 1 . . . . . . . . 4585 1
61 . 1 1 11 11 LYS HB3 H 1 1.823 0.01 . 1 . . . . . . . . 4585 1
62 . 1 1 11 11 LYS HE2 H 1 2.974 0.01 . 1 . . . . . . . . 4585 1
63 . 1 1 11 11 LYS HE3 H 1 2.974 0.01 . 1 . . . . . . . . 4585 1
64 . 1 1 11 11 LYS HZ1 H 1 7.472 0.01 . 1 . . . . . . . . 4585 1
65 . 1 1 11 11 LYS HZ2 H 1 7.472 0.01 . 1 . . . . . . . . 4585 1
66 . 1 1 11 11 LYS HZ3 H 1 7.472 0.01 . 1 . . . . . . . . 4585 1
67 . 1 1 12 12 GLY H H 1 8.478 0.01 . 1 . . . . . . . . 4585 1
68 . 1 1 12 12 GLY HA2 H 1 4.078 0.01 . 2 . . . . . . . . 4585 1
69 . 1 1 12 12 GLY HA3 H 1 3.822 0.01 . 2 . . . . . . . . 4585 1
70 . 1 1 13 13 LYS H H 1 8.156 0.01 . 1 . . . . . . . . 4585 1
71 . 1 1 13 13 LYS HA H 1 4.233 0.01 . 1 . . . . . . . . 4585 1
72 . 1 1 13 13 LYS HB2 H 1 1.786 0.01 . 2 . . . . . . . . 4585 1
73 . 1 1 13 13 LYS HB3 H 1 1.724 0.01 . 2 . . . . . . . . 4585 1
74 . 1 1 13 13 LYS HG2 H 1 1.356 0.01 . 1 . . . . . . . . 4585 1
75 . 1 1 13 13 LYS HG3 H 1 1.356 0.01 . 1 . . . . . . . . 4585 1
76 . 1 1 13 13 LYS HD2 H 1 1.623 0.01 . 1 . . . . . . . . 4585 1
77 . 1 1 13 13 LYS HD3 H 1 1.623 0.01 . 1 . . . . . . . . 4585 1
78 . 1 1 13 13 LYS HE2 H 1 2.939 0.01 . 1 . . . . . . . . 4585 1
79 . 1 1 13 13 LYS HE3 H 1 2.939 0.01 . 1 . . . . . . . . 4585 1
80 . 1 1 14 14 ASN H H 1 8.545 0.01 . 1 . . . . . . . . 4585 1
81 . 1 1 14 14 ASN HA H 1 4.585 0.01 . 1 . . . . . . . . 4585 1
82 . 1 1 14 14 ASN HB2 H 1 2.866 0.01 . 2 . . . . . . . . 4585 1
83 . 1 1 14 14 ASN HB3 H 1 2.756 0.01 . 2 . . . . . . . . 4585 1
84 . 1 1 14 14 ASN HD21 H 1 7.520 0.01 . 2 . . . . . . . . 4585 1
85 . 1 1 14 14 ASN HD22 H 1 6.864 0.01 . 2 . . . . . . . . 4585 1
86 . 1 1 15 15 ALA H H 1 7.590 0.01 . 1 . . . . . . . . 4585 1
87 . 1 1 15 15 ALA HA H 1 4.307 0.01 . 1 . . . . . . . . 4585 1
88 . 1 1 15 15 ALA HB1 H 1 1.220 0.01 . 1 . . . . . . . . 4585 1
89 . 1 1 15 15 ALA HB2 H 1 1.220 0.01 . 1 . . . . . . . . 4585 1
90 . 1 1 15 15 ALA HB3 H 1 1.220 0.01 . 1 . . . . . . . . 4585 1
91 . 1 1 16 16 LYS H H 1 8.364 0.01 . 1 . . . . . . . . 4585 1
92 . 1 1 16 16 LYS HA H 1 4.725 0.03 . 1 . . . . . . . . 4585 1
93 . 1 1 16 16 LYS HB2 H 1 1.763 0.01 . 1 . . . . . . . . 4585 1
94 . 1 1 16 16 LYS HB3 H 1 1.656 0.01 . 1 . . . . . . . . 4585 1
95 . 1 1 16 16 LYS HG2 H 1 1.388 0.01 . 1 . . . . . . . . 4585 1
96 . 1 1 16 16 LYS HG3 H 1 1.388 0.01 . 1 . . . . . . . . 4585 1
97 . 1 1 16 16 LYS HE2 H 1 2.955 0.01 . 1 . . . . . . . . 4585 1
98 . 1 1 16 16 LYS HE3 H 1 2.955 0.01 . 1 . . . . . . . . 4585 1
99 . 1 1 17 17 PRO HA H 1 4.870 0.03 . 1 . . . . . . . . 4585 1
100 . 1 1 17 17 PRO HB2 H 1 2.041 0.01 . 2 . . . . . . . . 4585 1
101 . 1 1 17 17 PRO HB3 H 1 1.836 0.01 . 2 . . . . . . . . 4585 1
102 . 1 1 17 17 PRO HD2 H 1 3.654 0.01 . 1 . . . . . . . . 4585 1
103 . 1 1 17 17 PRO HD3 H 1 3.654 0.01 . 1 . . . . . . . . 4585 1
104 . 1 1 18 18 THR H H 1 8.694 0.01 . 1 . . . . . . . . 4585 1
105 . 1 1 18 18 THR HA H 1 4.455 0.01 . 1 . . . . . . . . 4585 1
106 . 1 1 18 18 THR HB H 1 4.122 0.01 . 1 . . . . . . . . 4585 1
107 . 1 1 18 18 THR HG21 H 1 1.125 0.01 . 1 . . . . . . . . 4585 1
108 . 1 1 18 18 THR HG22 H 1 1.125 0.01 . 1 . . . . . . . . 4585 1
109 . 1 1 18 18 THR HG23 H 1 1.125 0.01 . 1 . . . . . . . . 4585 1
110 . 1 1 19 19 CYS H H 1 8.768 0.01 . 1 . . . . . . . . 4585 1
111 . 1 1 19 19 CYS HA H 1 5.082 0.01 . 1 . . . . . . . . 4585 1
112 . 1 1 19 19 CYS HB2 H 1 3.036 0.01 . 1 . . . . . . . . 4585 1
113 . 1 1 19 19 CYS HB3 H 1 3.036 0.01 . 1 . . . . . . . . 4585 1
114 . 1 1 20 20 ASP H H 1 8.755 0.01 . 1 . . . . . . . . 4585 1
115 . 1 1 20 20 ASP HA H 1 4.912 0.01 . 1 . . . . . . . . 4585 1
116 . 1 1 20 20 ASP HB2 H 1 2.671 0.01 . 1 . . . . . . . . 4585 1
117 . 1 1 20 20 ASP HB3 H 1 2.833 0.01 . 1 . . . . . . . . 4585 1
118 . 1 1 21 21 ASP H H 1 9.420 0.01 . 1 . . . . . . . . 4585 1
119 . 1 1 21 21 ASP HA H 1 4.395 0.01 . 1 . . . . . . . . 4585 1
120 . 1 1 21 21 ASP HB2 H 1 2.686 0.01 . 1 . . . . . . . . 4585 1
121 . 1 1 21 21 ASP HB3 H 1 3.096 0.01 . 1 . . . . . . . . 4585 1
122 . 1 1 22 22 GLY H H 1 7.851 0.01 . 1 . . . . . . . . 4585 1
123 . 1 1 22 22 GLY HA2 H 1 4.126 0.01 . 2 . . . . . . . . 4585 1
124 . 1 1 22 22 GLY HA3 H 1 3.583 0.01 . 2 . . . . . . . . 4585 1
125 . 1 1 23 23 VAL H H 1 7.491 0.01 . 1 . . . . . . . . 4585 1
126 . 1 1 23 23 VAL HA H 1 4.179 0.01 . 1 . . . . . . . . 4585 1
127 . 1 1 23 23 VAL HB H 1 2.044 0.01 . 1 . . . . . . . . 4585 1
128 . 1 1 23 23 VAL HG11 H 1 0.855 0.01 . 1 . . . . . . . . 4585 1
129 . 1 1 23 23 VAL HG12 H 1 0.855 0.01 . 1 . . . . . . . . 4585 1
130 . 1 1 23 23 VAL HG13 H 1 0.855 0.01 . 1 . . . . . . . . 4585 1
131 . 1 1 23 23 VAL HG21 H 1 0.855 0.01 . 1 . . . . . . . . 4585 1
132 . 1 1 23 23 VAL HG22 H 1 0.855 0.01 . 1 . . . . . . . . 4585 1
133 . 1 1 23 23 VAL HG23 H 1 0.855 0.01 . 1 . . . . . . . . 4585 1
134 . 1 1 24 24 CYS H H 1 8.643 0.01 . 1 . . . . . . . . 4585 1
135 . 1 1 24 24 CYS HA H 1 4.861 0.01 . 1 . . . . . . . . 4585 1
136 . 1 1 24 24 CYS HB2 H 1 2.859 0.01 . 2 . . . . . . . . 4585 1
137 . 1 1 24 24 CYS HB3 H 1 2.739 0.01 . 2 . . . . . . . . 4585 1
138 . 1 1 25 25 ASN H H 1 9.121 0.01 . 1 . . . . . . . . 4585 1
139 . 1 1 25 25 ASN HA H 1 4.936 0.01 . 1 . . . . . . . . 4585 1
140 . 1 1 25 25 ASN HB2 H 1 2.833 0.01 . 2 . . . . . . . . 4585 1
141 . 1 1 25 25 ASN HB3 H 1 2.629 0.01 . 2 . . . . . . . . 4585 1
142 . 1 1 25 25 ASN HD21 H 1 7.360 0.01 . 2 . . . . . . . . 4585 1
143 . 1 1 25 25 ASN HD22 H 1 6.860 0.01 . 2 . . . . . . . . 4585 1
144 . 1 1 26 26 CYS H H 1 8.800 0.01 . 1 . . . . . . . . 4585 1
145 . 1 1 26 26 CYS HA H 1 4.837 0.01 . 1 . . . . . . . . 4585 1
146 . 1 1 26 26 CYS HB2 H 1 3.057 0.01 . 1 . . . . . . . . 4585 1
147 . 1 1 26 26 CYS HB3 H 1 2.814 0.01 . 1 . . . . . . . . 4585 1
148 . 1 1 27 27 ASN H H 1 8.621 0.01 . 1 . . . . . . . . 4585 1
149 . 1 1 27 27 ASN HA H 1 4.663 0.01 . 1 . . . . . . . . 4585 1
150 . 1 1 27 27 ASN HB2 H 1 2.792 0.01 . 1 . . . . . . . . 4585 1
151 . 1 1 27 27 ASN HB3 H 1 2.792 0.01 . 1 . . . . . . . . 4585 1
152 . 1 1 27 27 ASN HD21 H 1 7.590 0.01 . 2 . . . . . . . . 4585 1
153 . 1 1 27 27 ASN HD22 H 1 7.000 0.01 . 2 . . . . . . . . 4585 1
154 . 1 1 28 28 VAL H H 1 7.967 0.01 . 1 . . . . . . . . 4585 1
155 . 1 1 28 28 VAL HA H 1 4.160 0.01 . 1 . . . . . . . . 4585 1
156 . 1 1 28 28 VAL HB H 1 2.110 0.01 . 1 . . . . . . . . 4585 1
157 . 1 1 28 28 VAL HG11 H 1 0.863 0.01 . 1 . . . . . . . . 4585 1
158 . 1 1 28 28 VAL HG12 H 1 0.863 0.01 . 1 . . . . . . . . 4585 1
159 . 1 1 28 28 VAL HG13 H 1 0.863 0.01 . 1 . . . . . . . . 4585 1
160 . 1 1 28 28 VAL HG21 H 1 0.863 0.01 . 1 . . . . . . . . 4585 1
161 . 1 1 28 28 VAL HG22 H 1 0.863 0.01 . 1 . . . . . . . . 4585 1
162 . 1 1 28 28 VAL HG23 H 1 0.863 0.01 . 1 . . . . . . . . 4585 1
stop_
save_