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 4916
_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
;
Prochiral metylene proteons,
HG2, HG3, HD2, HD3, HE2 and HE3
were not stereospecifically assigned.
;
_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 . 4916 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 HIS HA H 1 4.225 . . 1 . . . . . . . . 4916 1
2 . 1 1 1 1 HIS HB2 H 1 3.240 . . 1 . . . . . . . . 4916 1
3 . 1 1 1 1 HIS HB3 H 1 3.240 . . 1 . . . . . . . . 4916 1
4 . 1 1 1 1 HIS HE1 H 1 8.130 . . 1 . . . . . . . . 4916 1
5 . 1 1 1 1 HIS HD2 H 1 7.174 . . 1 . . . . . . . . 4916 1
6 . 1 1 2 2 SER HA H 1 4.524 . . 1 . . . . . . . . 4916 1
7 . 1 1 2 2 SER HB2 H 1 3.858 . . 1 . . . . . . . . 4916 1
8 . 1 1 2 2 SER HB3 H 1 3.858 . . 1 . . . . . . . . 4916 1
9 . 1 1 3 3 ASP H H 1 8.702 . . 1 . . . . . . . . 4916 1
10 . 1 1 3 3 ASP HA H 1 4.647 . . 1 . . . . . . . . 4916 1
11 . 1 1 3 3 ASP HB2 H 1 2.663 . . 1 . . . . . . . . 4916 1
12 . 1 1 3 3 ASP HB3 H 1 2.719 . . 1 . . . . . . . . 4916 1
13 . 1 1 4 4 GLY H H 1 8.344 . . 1 . . . . . . . . 4916 1
14 . 1 1 4 4 GLY HA2 H 1 3.889 . . 1 . . . . . . . . 4916 1
15 . 1 1 4 4 GLY HA3 H 1 3.889 . . 1 . . . . . . . . 4916 1
16 . 1 1 5 5 ILE H H 1 7.862 . . 1 . . . . . . . . 4916 1
17 . 1 1 5 5 ILE HA H 1 4.074 . . 1 . . . . . . . . 4916 1
18 . 1 1 5 5 ILE HB H 1 1.734 . . 1 . . . . . . . . 4916 1
19 . 1 1 5 5 ILE HG12 H 1 1.019 . . 2 . . . . . . . . 4916 1
20 . 1 1 5 5 ILE HG13 H 1 1.220 . . 2 . . . . . . . . 4916 1
21 . 1 1 5 5 ILE HG21 H 1 0.729 . . 1 . . . . . . . . 4916 1
22 . 1 1 5 5 ILE HG22 H 1 0.729 . . 1 . . . . . . . . 4916 1
23 . 1 1 5 5 ILE HG23 H 1 0.729 . . 1 . . . . . . . . 4916 1
24 . 1 1 5 5 ILE HD11 H 1 0.760 . . 1 . . . . . . . . 4916 1
25 . 1 1 5 5 ILE HD12 H 1 0.760 . . 1 . . . . . . . . 4916 1
26 . 1 1 5 5 ILE HD13 H 1 0.760 . . 1 . . . . . . . . 4916 1
27 . 1 1 6 6 PHE H H 1 8.388 . . 1 . . . . . . . . 4916 1
28 . 1 1 6 6 PHE HA H 1 4.747 . . 1 . . . . . . . . 4916 1
29 . 1 1 6 6 PHE HB2 H 1 2.990 . . 1 . . . . . . . . 4916 1
30 . 1 1 6 6 PHE HB3 H 1 3.180 . . 1 . . . . . . . . 4916 1
31 . 1 1 6 6 PHE HD1 H 1 7.226 . . 1 . . . . . . . . 4916 1
32 . 1 1 6 6 PHE HD2 H 1 7.226 . . 1 . . . . . . . . 4916 1
33 . 1 1 6 6 PHE HE1 H 1 7.311 . . 1 . . . . . . . . 4916 1
34 . 1 1 6 6 PHE HE2 H 1 7.311 . . 1 . . . . . . . . 4916 1
35 . 1 1 6 6 PHE HZ H 1 7.273 . . 1 . . . . . . . . 4916 1
36 . 1 1 7 7 THR H H 1 8.062 . . 1 . . . . . . . . 4916 1
37 . 1 1 7 7 THR HA H 1 4.302 . . 1 . . . . . . . . 4916 1
38 . 1 1 7 7 THR HB H 1 4.220 . . 1 . . . . . . . . 4916 1
39 . 1 1 7 7 THR HG21 H 1 1.162 . . 1 . . . . . . . . 4916 1
40 . 1 1 7 7 THR HG22 H 1 1.162 . . 1 . . . . . . . . 4916 1
41 . 1 1 7 7 THR HG23 H 1 1.162 . . 1 . . . . . . . . 4916 1
42 . 1 1 8 8 ASP H H 1 8.336 . . 1 . . . . . . . . 4916 1
43 . 1 1 8 8 ASP HA H 1 4.604 . . 1 . . . . . . . . 4916 1
44 . 1 1 8 8 ASP HB2 H 1 2.724 . . 1 . . . . . . . . 4916 1
45 . 1 1 8 8 ASP HB3 H 1 2.724 . . 1 . . . . . . . . 4916 1
46 . 1 1 9 9 SER H H 1 8.326 . . 1 . . . . . . . . 4916 1
47 . 1 1 9 9 SER HA H 1 4.265 . . 1 . . . . . . . . 4916 1
48 . 1 1 9 9 SER HB2 H 1 3.816 . . 1 . . . . . . . . 4916 1
49 . 1 1 9 9 SER HB3 H 1 3.797 . . 1 . . . . . . . . 4916 1
50 . 1 1 10 10 TYR H H 1 8.213 . . 1 . . . . . . . . 4916 1
51 . 1 1 10 10 TYR HA H 1 4.494 . . 1 . . . . . . . . 4916 1
52 . 1 1 10 10 TYR HB2 H 1 3.045 . . 1 . . . . . . . . 4916 1
53 . 1 1 10 10 TYR HB3 H 1 3.102 . . 1 . . . . . . . . 4916 1
54 . 1 1 10 10 TYR HD1 H 1 7.110 . . 1 . . . . . . . . 4916 1
55 . 1 1 10 10 TYR HD2 H 1 7.110 . . 1 . . . . . . . . 4916 1
56 . 1 1 10 10 TYR HE1 H 1 6.800 . . 1 . . . . . . . . 4916 1
57 . 1 1 10 10 TYR HE2 H 1 6.800 . . 1 . . . . . . . . 4916 1
58 . 1 1 11 11 SER H H 1 8.145 . . 1 . . . . . . . . 4916 1
59 . 1 1 11 11 SER HA H 1 4.239 . . 1 . . . . . . . . 4916 1
60 . 1 1 11 11 SER HB2 H 1 3.910 . . 1 . . . . . . . . 4916 1
61 . 1 1 11 11 SER HB3 H 1 3.832 . . 1 . . . . . . . . 4916 1
62 . 1 1 12 12 ARG H H 1 8.095 . . 1 . . . . . . . . 4916 1
63 . 1 1 12 12 ARG HA H 1 4.085 . . 1 . . . . . . . . 4916 1
64 . 1 1 12 12 ARG HB2 H 1 1.665 . . 1 . . . . . . . . 4916 1
65 . 1 1 12 12 ARG HB3 H 1 1.665 . . 1 . . . . . . . . 4916 1
66 . 1 1 12 12 ARG HG2 H 1 1.386 . . 1 . . . . . . . . 4916 1
67 . 1 1 12 12 ARG HG3 H 1 1.386 . . 1 . . . . . . . . 4916 1
68 . 1 1 12 12 ARG HD2 H 1 3.081 . . 1 . . . . . . . . 4916 1
69 . 1 1 12 12 ARG HD3 H 1 3.081 . . 1 . . . . . . . . 4916 1
70 . 1 1 13 13 TYR H H 1 7.949 . . 1 . . . . . . . . 4916 1
71 . 1 1 13 13 TYR HA H 1 4.503 . . 1 . . . . . . . . 4916 1
72 . 1 1 13 13 TYR HB2 H 1 2.924 . . 1 . . . . . . . . 4916 1
73 . 1 1 13 13 TYR HB3 H 1 3.093 . . 1 . . . . . . . . 4916 1
74 . 1 1 13 13 TYR HD1 H 1 7.083 . . 1 . . . . . . . . 4916 1
75 . 1 1 13 13 TYR HD2 H 1 7.083 . . 1 . . . . . . . . 4916 1
76 . 1 1 13 13 TYR HE1 H 1 6.815 . . 1 . . . . . . . . 4916 1
77 . 1 1 13 13 TYR HE2 H 1 6.815 . . 1 . . . . . . . . 4916 1
78 . 1 1 14 14 ARG H H 1 7.958 . . 1 . . . . . . . . 4916 1
79 . 1 1 14 14 ARG HA H 1 4.130 . . 1 . . . . . . . . 4916 1
80 . 1 1 14 14 ARG HB2 H 1 1.782 . . 1 . . . . . . . . 4916 1
81 . 1 1 14 14 ARG HB3 H 1 1.712 . . 1 . . . . . . . . 4916 1
82 . 1 1 14 14 ARG HG2 H 1 1.520 . . 2 . . . . . . . . 4916 1
83 . 1 1 14 14 ARG HG3 H 1 1.572 . . 2 . . . . . . . . 4916 1
84 . 1 1 14 14 ARG HD2 H 1 3.122 . . 1 . . . . . . . . 4916 1
85 . 1 1 14 14 ARG HD3 H 1 3.122 . . 1 . . . . . . . . 4916 1
86 . 1 1 15 15 LYS H H 1 8.142 . . 1 . . . . . . . . 4916 1
87 . 1 1 15 15 LYS HA H 1 4.188 . . 1 . . . . . . . . 4916 1
88 . 1 1 15 15 LYS HB2 H 1 1.825 . . 1 . . . . . . . . 4916 1
89 . 1 1 15 15 LYS HB3 H 1 1.773 . . 1 . . . . . . . . 4916 1
90 . 1 1 15 15 LYS HG2 H 1 1.469 . . 2 . . . . . . . . 4916 1
91 . 1 1 15 15 LYS HG3 H 1 1.391 . . 2 . . . . . . . . 4916 1
92 . 1 1 15 15 LYS HD2 H 1 1.678 . . 1 . . . . . . . . 4916 1
93 . 1 1 15 15 LYS HD3 H 1 1.678 . . 1 . . . . . . . . 4916 1
94 . 1 1 15 15 LYS HE2 H 1 2.982 . . 1 . . . . . . . . 4916 1
95 . 1 1 15 15 LYS HE3 H 1 2.982 . . 1 . . . . . . . . 4916 1
96 . 1 1 16 16 GLN H H 1 8.278 . . 1 . . . . . . . . 4916 1
97 . 1 1 16 16 GLN HA H 1 4.257 . . 1 . . . . . . . . 4916 1
98 . 1 1 16 16 GLN HB2 H 1 2.072 . . 1 . . . . . . . . 4916 1
99 . 1 1 16 16 GLN HB3 H 1 2.016 . . 1 . . . . . . . . 4916 1
100 . 1 1 16 16 GLN HG2 H 1 2.372 . . 1 . . . . . . . . 4916 1
101 . 1 1 16 16 GLN HG3 H 1 2.372 . . 1 . . . . . . . . 4916 1
102 . 1 1 16 16 GLN HE21 H 1 7.512 . . 1 . . . . . . . . 4916 1
103 . 1 1 16 16 GLN HE22 H 1 6.869 . . 1 . . . . . . . . 4916 1
104 . 1 1 17 17 MET H H 1 8.252 . . 1 . . . . . . . . 4916 1
105 . 1 1 17 17 MET HA H 1 4.408 . . 1 . . . . . . . . 4916 1
106 . 1 1 17 17 MET HB2 H 1 1.960 . . 1 . . . . . . . . 4916 1
107 . 1 1 17 17 MET HB3 H 1 2.040 . . 1 . . . . . . . . 4916 1
108 . 1 1 17 17 MET HG2 H 1 2.536 . . 2 . . . . . . . . 4916 1
109 . 1 1 17 17 MET HG3 H 1 2.460 . . 2 . . . . . . . . 4916 1
110 . 1 1 17 17 MET HE1 H 1 2.059 . . 1 . . . . . . . . 4916 1
111 . 1 1 17 17 MET HE2 H 1 2.059 . . 1 . . . . . . . . 4916 1
112 . 1 1 17 17 MET HE3 H 1 2.059 . . 1 . . . . . . . . 4916 1
113 . 1 1 18 18 ALA H H 1 8.173 . . 1 . . . . . . . . 4916 1
114 . 1 1 18 18 ALA HA H 1 4.319 . . 1 . . . . . . . . 4916 1
115 . 1 1 18 18 ALA HB1 H 1 1.383 . . 1 . . . . . . . . 4916 1
116 . 1 1 18 18 ALA HB2 H 1 1.383 . . 1 . . . . . . . . 4916 1
117 . 1 1 18 18 ALA HB3 H 1 1.383 . . 1 . . . . . . . . 4916 1
118 . 1 1 19 19 VAL H H 1 8.030 . . 1 . . . . . . . . 4916 1
119 . 1 1 19 19 VAL HA H 1 4.045 . . 1 . . . . . . . . 4916 1
120 . 1 1 19 19 VAL HB H 1 2.048 . . 1 . . . . . . . . 4916 1
121 . 1 1 19 19 VAL HG11 H 1 0.924 . . 2 . . . . . . . . 4916 1
122 . 1 1 19 19 VAL HG12 H 1 0.924 . . 2 . . . . . . . . 4916 1
123 . 1 1 19 19 VAL HG13 H 1 0.924 . . 2 . . . . . . . . 4916 1
124 . 1 1 19 19 VAL HG21 H 1 0.951 . . 2 . . . . . . . . 4916 1
125 . 1 1 19 19 VAL HG22 H 1 0.951 . . 2 . . . . . . . . 4916 1
126 . 1 1 19 19 VAL HG23 H 1 0.951 . . 2 . . . . . . . . 4916 1
127 . 1 1 20 20 LYS H H 1 8.341 . . 1 . . . . . . . . 4916 1
128 . 1 1 20 20 LYS HA H 1 4.309 . . 1 . . . . . . . . 4916 1
129 . 1 1 20 20 LYS HB2 H 1 1.756 . . 1 . . . . . . . . 4916 1
130 . 1 1 20 20 LYS HB3 H 1 1.815 . . 1 . . . . . . . . 4916 1
131 . 1 1 20 20 LYS HG2 H 1 1.452 . . 2 . . . . . . . . 4916 1
132 . 1 1 20 20 LYS HG3 H 1 1.386 . . 2 . . . . . . . . 4916 1
133 . 1 1 20 20 LYS HD2 H 1 1.674 . . 1 . . . . . . . . 4916 1
134 . 1 1 20 20 LYS HD3 H 1 1.674 . . 1 . . . . . . . . 4916 1
135 . 1 1 20 20 LYS HE2 H 1 2.990 . . 1 . . . . . . . . 4916 1
136 . 1 1 20 20 LYS HE3 H 1 2.990 . . 1 . . . . . . . . 4916 1
137 . 1 1 21 21 LYS H H 1 8.359 . . 1 . . . . . . . . 4916 1
138 . 1 1 21 21 LYS HA H 1 4.261 . . 1 . . . . . . . . 4916 1
139 . 1 1 21 21 LYS HB2 H 1 1.820 . . 1 . . . . . . . . 4916 1
140 . 1 1 21 21 LYS HB3 H 1 1.760 . . 1 . . . . . . . . 4916 1
141 . 1 1 21 21 LYS HG2 H 1 1.464 . . 1 . . . . . . . . 4916 1
142 . 1 1 21 21 LYS HG3 H 1 1.412 . . 1 . . . . . . . . 4916 1
143 . 1 1 21 21 LYS HD2 H 1 1.680 . . 1 . . . . . . . . 4916 1
144 . 1 1 21 21 LYS HD3 H 1 1.680 . . 1 . . . . . . . . 4916 1
145 . 1 1 21 21 LYS HE2 H 1 2.990 . . 1 . . . . . . . . 4916 1
146 . 1 1 21 21 LYS HE3 H 1 2.990 . . 1 . . . . . . . . 4916 1
147 . 1 1 22 22 NH2 HN1 H 1 7.630 . . 2 . . . . . . . . 4916 1
148 . 1 1 22 22 NH2 HN2 H 1 7.124 . . 2 . . . . . . . . 4916 1
stop_
save_