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 7012
_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 DQF-COSY' 1 $sample_1 . 7012 1
2 '2D TOCSY' 1 $sample_1 . 7012 1
3 '2D ROESY' 1 $sample_1 . 7012 1
4 '2D 13C HSQC' 1 $sample_1 . 7012 1
5 '2D 13C HSQC-TOCSY' 1 $sample_1 . 7012 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 HA2 H 1 4.225 0.02 . 2 . . . . . . . . 7012 1
2 . 1 1 1 1 GLY HA3 H 1 3.968 0.02 . 2 . . . . . . . . 7012 1
3 . 1 1 1 1 GLY CA C 13 43.283 0.4 . 1 . . . . . . . . 7012 1
4 . 1 1 2 2 PRO HA H 1 4.476 0.02 . 1 . . . . . . . . 7012 1
5 . 1 1 2 2 PRO HB2 H 1 2.360 0.02 . 2 . . . . . . . . 7012 1
6 . 1 1 2 2 PRO HB3 H 1 2.394 0.02 . 2 . . . . . . . . 7012 1
7 . 1 1 2 2 PRO HG2 H 1 2.060 0.02 . 2 . . . . . . . . 7012 1
8 . 1 1 2 2 PRO HG3 H 1 2.099 0.02 . 2 . . . . . . . . 7012 1
9 . 1 1 2 2 PRO HD2 H 1 3.612 0.02 . 2 . . . . . . . . 7012 1
10 . 1 1 2 2 PRO HD3 H 1 3.757 0.02 . 2 . . . . . . . . 7012 1
11 . 1 1 2 2 PRO CA C 13 64.182 0.4 . 1 . . . . . . . . 7012 1
12 . 1 1 2 2 PRO CB C 13 31.808 0.4 . 1 . . . . . . . . 7012 1
13 . 1 1 2 2 PRO CG C 13 26.770 0.4 . 1 . . . . . . . . 7012 1
14 . 1 1 2 2 PRO CD C 13 49.646 0.4 . 1 . . . . . . . . 7012 1
15 . 1 1 3 3 GLU H H 1 9.064 0.02 . 1 . . . . . . . . 7012 1
16 . 1 1 3 3 GLU HA H 1 4.280 0.02 . 1 . . . . . . . . 7012 1
17 . 1 1 3 3 GLU HB2 H 1 2.162 0.02 . 2 . . . . . . . . 7012 1
18 . 1 1 3 3 GLU HB3 H 1 2.070 0.02 . 2 . . . . . . . . 7012 1
19 . 1 1 3 3 GLU HG2 H 1 2.391 0.02 . 2 . . . . . . . . 7012 1
20 . 1 1 3 3 GLU HG3 H 1 2.453 0.02 . 2 . . . . . . . . 7012 1
21 . 1 1 3 3 GLU CA C 13 58.283 0.4 . 1 . . . . . . . . 7012 1
22 . 1 1 3 3 GLU CB C 13 28.261 0.4 . 1 . . . . . . . . 7012 1
23 . 1 1 3 3 GLU CG C 13 35.460 0.4 . 1 . . . . . . . . 7012 1
24 . 1 1 4 4 ALA H H 1 8.153 0.02 . 1 . . . . . . . . 7012 1
25 . 1 1 4 4 ALA HA H 1 4.349 0.02 . 1 . . . . . . . . 7012 1
26 . 1 1 4 4 ALA HB1 H 1 1.545 0.02 . 1 . . . . . . . . 7012 1
27 . 1 1 4 4 ALA HB2 H 1 1.545 0.02 . 1 . . . . . . . . 7012 1
28 . 1 1 4 4 ALA HB3 H 1 1.545 0.02 . 1 . . . . . . . . 7012 1
29 . 1 1 4 4 ALA CA C 13 54.034 0.4 . 1 . . . . . . . . 7012 1
30 . 1 1 4 4 ALA CB C 13 18.227 0.4 . 1 . . . . . . . . 7012 1
31 . 1 1 5 5 SER H H 1 8.160 0.02 . 1 . . . . . . . . 7012 1
32 . 1 1 5 5 SER HA H 1 4.389 0.02 . 1 . . . . . . . . 7012 1
33 . 1 1 5 5 SER HB2 H 1 4.024 0.02 . 2 . . . . . . . . 7012 1
34 . 1 1 5 5 SER HB3 H 1 4.087 0.02 . 2 . . . . . . . . 7012 1
35 . 1 1 5 5 SER CA C 13 60.301 0.4 . 1 . . . . . . . . 7012 1
36 . 1 1 5 5 SER CB C 13 63.184 0.4 . 1 . . . . . . . . 7012 1
37 . 1 1 6 6 ALA H H 1 8.138 0.02 . 1 . . . . . . . . 7012 1
38 . 1 1 6 6 ALA HA H 1 4.185 0.02 . 1 . . . . . . . . 7012 1
39 . 1 1 6 6 ALA HB1 H 1 1.488 0.02 . 1 . . . . . . . . 7012 1
40 . 1 1 6 6 ALA HB2 H 1 1.488 0.02 . 1 . . . . . . . . 7012 1
41 . 1 1 6 6 ALA HB3 H 1 1.488 0.02 . 1 . . . . . . . . 7012 1
42 . 1 1 6 6 ALA CA C 13 54.874 0.4 . 1 . . . . . . . . 7012 1
43 . 1 1 6 6 ALA CB C 13 17.956 0.4 . 1 . . . . . . . . 7012 1
44 . 1 1 7 7 PHE H H 1 8.144 0.02 . 1 . . . . . . . . 7012 1
45 . 1 1 7 7 PHE HA H 1 4.336 0.02 . 1 . . . . . . . . 7012 1
46 . 1 1 7 7 PHE HB2 H 1 3.175 0.02 . 2 . . . . . . . . 7012 1
47 . 1 1 7 7 PHE HB3 H 1 3.197 0.02 . 2 . . . . . . . . 7012 1
48 . 1 1 7 7 PHE HD1 H 1 7.242 0.02 . 2 . . . . . . . . 7012 1
49 . 1 1 7 7 PHE HE1 H 1 7.292 0.02 . 2 . . . . . . . . 7012 1
50 . 1 1 7 7 PHE HZ H 1 7.344 0.02 . 1 . . . . . . . . 7012 1
51 . 1 1 7 7 PHE CA C 13 60.704 0.4 . 1 . . . . . . . . 7012 1
52 . 1 1 7 7 PHE CB C 13 39.150 0.4 . 1 . . . . . . . . 7012 1
53 . 1 1 8 8 THR H H 1 8.015 0.02 . 1 . . . . . . . . 7012 1
54 . 1 1 8 8 THR HA H 1 3.905 0.02 . 1 . . . . . . . . 7012 1
55 . 1 1 8 8 THR HB H 1 4.335 0.02 . 1 . . . . . . . . 7012 1
56 . 1 1 8 8 THR HG21 H 1 1.298 0.02 . 1 . . . . . . . . 7012 1
57 . 1 1 8 8 THR HG22 H 1 1.298 0.02 . 1 . . . . . . . . 7012 1
58 . 1 1 8 8 THR HG23 H 1 1.298 0.02 . 1 . . . . . . . . 7012 1
59 . 1 1 8 8 THR CA C 13 66.349 0.4 . 1 . . . . . . . . 7012 1
60 . 1 1 8 8 THR CB C 13 68.903 0.4 . 1 . . . . . . . . 7012 1
61 . 1 1 8 8 THR CG2 C 13 21.147 0.4 . 1 . . . . . . . . 7012 1
62 . 1 1 9 9 LYS H H 1 7.972 0.02 . 1 . . . . . . . . 7012 1
63 . 1 1 9 9 LYS HA H 1 3.969 0.02 . 1 . . . . . . . . 7012 1
64 . 1 1 9 9 LYS HB2 H 1 1.724 0.02 . 2 . . . . . . . . 7012 1
65 . 1 1 9 9 LYS HB3 H 1 1.927 0.02 . 2 . . . . . . . . 7012 1
66 . 1 1 9 9 LYS HG2 H 1 1.434 0.02 . 2 . . . . . . . . 7012 1
67 . 1 1 9 9 LYS HE2 H 1 3.000 0.02 . 2 . . . . . . . . 7012 1
68 . 1 1 9 9 LYS CA C 13 59.840 0.4 . 1 . . . . . . . . 7012 1
69 . 1 1 9 9 LYS CB C 13 32.400 0.4 . 1 . . . . . . . . 7012 1
70 . 1 1 9 9 LYS CG C 13 25.152 0.4 . 1 . . . . . . . . 7012 1
71 . 1 1 9 9 LYS CD C 13 29.453 0.4 . 1 . . . . . . . . 7012 1
72 . 1 1 9 9 LYS CE C 13 41.912 0.4 . 1 . . . . . . . . 7012 1
73 . 1 1 10 10 LYS H H 1 7.784 0.02 . 1 . . . . . . . . 7012 1
74 . 1 1 10 10 LYS HA H 1 4.098 0.02 . 1 . . . . . . . . 7012 1
75 . 1 1 10 10 LYS HB2 H 1 1.726 0.02 . 2 . . . . . . . . 7012 1
76 . 1 1 10 10 LYS HB3 H 1 1.908 0.02 . 2 . . . . . . . . 7012 1
77 . 1 1 10 10 LYS HG2 H 1 1.478 0.02 . 2 . . . . . . . . 7012 1
78 . 1 1 10 10 LYS HG3 H 1 1.534 0.02 . 2 . . . . . . . . 7012 1
79 . 1 1 10 10 LYS HE2 H 1 3.002 0.02 . 2 . . . . . . . . 7012 1
80 . 1 1 10 10 LYS CA C 13 58.362 0.4 . 1 . . . . . . . . 7012 1
81 . 1 1 10 10 LYS CB C 13 31.779 0.4 . 1 . . . . . . . . 7012 1
82 . 1 1 10 10 LYS CG C 13 24.544 0.4 . 1 . . . . . . . . 7012 1
83 . 1 1 10 10 LYS CD C 13 28.544 0.4 . 1 . . . . . . . . 7012 1
84 . 1 1 10 10 LYS CE C 13 41.785 0.4 . 1 . . . . . . . . 7012 1
85 . 1 1 11 11 MET H H 1 8.025 0.02 . 1 . . . . . . . . 7012 1
86 . 1 1 11 11 MET HA H 1 4.206 0.02 . 1 . . . . . . . . 7012 1
87 . 1 1 11 11 MET HB2 H 1 2.176 0.02 . 2 . . . . . . . . 7012 1
88 . 1 1 11 11 MET HB3 H 1 2.294 0.02 . 2 . . . . . . . . 7012 1
89 . 1 1 11 11 MET HG2 H 1 2.445 0.02 . 1 . . . . . . . . 7012 1
90 . 1 1 11 11 MET HE1 H 1 2.057 0.02 . 1 . . . . . . . . 7012 1
91 . 1 1 11 11 MET HE2 H 1 2.057 0.02 . 1 . . . . . . . . 7012 1
92 . 1 1 11 11 MET HE3 H 1 2.057 0.02 . 1 . . . . . . . . 7012 1
93 . 1 1 11 11 MET CA C 13 58.098 0.4 . 1 . . . . . . . . 7012 1
94 . 1 1 11 11 MET CB C 13 32.055 0.4 . 1 . . . . . . . . 7012 1
95 . 1 1 11 11 MET CG C 13 31.782 0.4 . 1 . . . . . . . . 7012 1
96 . 1 1 11 11 MET CE C 13 17.956 0.4 . 1 . . . . . . . . 7012 1
97 . 1 1 12 12 VAL H H 1 8.219 0.02 . 1 . . . . . . . . 7012 1
98 . 1 1 12 12 VAL HA H 1 3.756 0.02 . 1 . . . . . . . . 7012 1
99 . 1 1 12 12 VAL HB H 1 2.208 0.02 . 1 . . . . . . . . 7012 1
100 . 1 1 12 12 VAL HG11 H 1 0.972 0.02 . 2 . . . . . . . . 7012 1
101 . 1 1 12 12 VAL HG12 H 1 0.972 0.02 . 2 . . . . . . . . 7012 1
102 . 1 1 12 12 VAL HG13 H 1 0.972 0.02 . 2 . . . . . . . . 7012 1
103 . 1 1 12 12 VAL HG21 H 1 1.070 0.02 . 2 . . . . . . . . 7012 1
104 . 1 1 12 12 VAL HG22 H 1 1.070 0.02 . 2 . . . . . . . . 7012 1
105 . 1 1 12 12 VAL HG23 H 1 1.070 0.02 . 2 . . . . . . . . 7012 1
106 . 1 1 12 12 VAL CA C 13 66.127 0.4 . 1 . . . . . . . . 7012 1
107 . 1 1 12 12 VAL CB C 13 31.782 0.4 . 1 . . . . . . . . 7012 1
108 . 1 1 12 12 VAL CG1 C 13 21.737 0.4 . 1 . . . . . . . . 7012 1
109 . 1 1 12 12 VAL CG2 C 13 20.754 0.4 . 1 . . . . . . . . 7012 1
110 . 1 1 13 13 GLU H H 1 8.250 0.02 . 1 . . . . . . . . 7012 1
111 . 1 1 13 13 GLU HA H 1 4.066 0.02 . 1 . . . . . . . . 7012 1
112 . 1 1 13 13 GLU HB2 H 1 2.208 0.02 . 2 . . . . . . . . 7012 1
113 . 1 1 13 13 GLU HB3 H 1 2.133 0.02 . 2 . . . . . . . . 7012 1
114 . 1 1 13 13 GLU HG2 H 1 2.391 0.02 . 2 . . . . . . . . 7012 1
115 . 1 1 13 13 GLU HG3 H 1 2.584 0.02 . 2 . . . . . . . . 7012 1
116 . 1 1 13 13 GLU CA C 13 58.883 0.4 . 1 . . . . . . . . 7012 1
117 . 1 1 13 13 GLU CB C 13 29.260 0.4 . 1 . . . . . . . . 7012 1
118 . 1 1 13 13 GLU CG C 13 35.927 0.4 . 1 . . . . . . . . 7012 1
119 . 1 1 14 14 ASN H H 1 8.037 0.02 . 1 . . . . . . . . 7012 1
120 . 1 1 14 14 ASN HA H 1 4.635 0.02 . 1 . . . . . . . . 7012 1
121 . 1 1 14 14 ASN HB2 H 1 2.874 0.02 . 2 . . . . . . . . 7012 1
122 . 1 1 14 14 ASN CA C 13 54.762 0.4 . 1 . . . . . . . . 7012 1
123 . 1 1 14 14 ASN CB C 13 38.953 0.4 . 1 . . . . . . . . 7012 1
124 . 1 1 15 15 ALA H H 1 7.940 0.02 . 1 . . . . . . . . 7012 1
125 . 1 1 15 15 ALA HA H 1 4.271 0.02 . 1 . . . . . . . . 7012 1
126 . 1 1 15 15 ALA HB1 H 1 1.543 0.02 . 1 . . . . . . . . 7012 1
127 . 1 1 15 15 ALA HB2 H 1 1.543 0.02 . 1 . . . . . . . . 7012 1
128 . 1 1 15 15 ALA HB3 H 1 1.543 0.02 . 1 . . . . . . . . 7012 1
129 . 1 1 15 15 ALA CA C 13 53.631 0.4 . 1 . . . . . . . . 7012 1
130 . 1 1 15 15 ALA CB C 13 18.368 0.4 . 1 . . . . . . . . 7012 1
131 . 1 1 16 16 LYS H H 1 7.914 0.02 . 1 . . . . . . . . 7012 1
132 . 1 1 16 16 LYS HA H 1 4.323 0.02 . 1 . . . . . . . . 7012 1
133 . 1 1 16 16 LYS HB2 H 1 1.887 0.02 . 2 . . . . . . . . 7012 1
134 . 1 1 16 16 LYS HB3 H 1 1.941 0.02 . 2 . . . . . . . . 7012 1
135 . 1 1 16 16 LYS HG2 H 1 0.984 0.02 . 2 . . . . . . . . 7012 1
136 . 1 1 16 16 LYS HD2 H 1 1.526 0.02 . 2 . . . . . . . . 7012 1
137 . 1 1 16 16 LYS HE2 H 1 2.864 0.02 . 2 . . . . . . . . 7012 1
138 . 1 1 16 16 LYS CA C 13 56.444 0.4 . 1 . . . . . . . . 7012 1
139 . 1 1 16 16 LYS CB C 13 32.709 0.4 . 1 . . . . . . . . 7012 1
140 . 1 1 16 16 LYS CG C 13 24.786 0.4 . 1 . . . . . . . . 7012 1
141 . 1 1 16 16 LYS CD C 13 28.902 0.4 . 1 . . . . . . . . 7012 1
142 . 1 1 16 16 LYS CE C 13 41.866 0.4 . 1 . . . . . . . . 7012 1
143 . 1 1 17 17 LYS H H 1 7.923 0.02 . 1 . . . . . . . . 7012 1
144 . 1 1 17 17 LYS HA H 1 4.367 0.02 . 1 . . . . . . . . 7012 1
145 . 1 1 17 17 LYS HB2 H 1 1.886 0.02 . 2 . . . . . . . . 7012 1
146 . 1 1 17 17 LYS HB3 H 1 1.951 0.02 . 2 . . . . . . . . 7012 1
147 . 1 1 17 17 LYS HG2 H 1 1.295 0.02 . 2 . . . . . . . . 7012 1
148 . 1 1 17 17 LYS HD2 H 1 1.736 0.02 . 2 . . . . . . . . 7012 1
149 . 1 1 17 17 LYS HE2 H 1 3.041 0.02 . 2 . . . . . . . . 7012 1
150 . 1 1 17 17 LYS CA C 13 56.432 0.4 . 1 . . . . . . . . 7012 1
151 . 1 1 17 17 LYS CB C 13 32.836 0.4 . 1 . . . . . . . . 7012 1
152 . 1 1 17 17 LYS CD C 13 28.872 0.4 . 1 . . . . . . . . 7012 1
153 . 1 1 17 17 LYS CE C 13 42.017 0.4 . 1 . . . . . . . . 7012 1
154 . 1 1 18 18 ILE H H 1 7.574 0.02 . 1 . . . . . . . . 7012 1
155 . 1 1 18 18 ILE HA H 1 4.196 0.02 . 1 . . . . . . . . 7012 1
156 . 1 1 18 18 ILE HB H 1 1.908 0.02 . 1 . . . . . . . . 7012 1
157 . 1 1 18 18 ILE HG12 H 1 1.210 0.02 . 2 . . . . . . . . 7012 1
158 . 1 1 18 18 ILE HG13 H 1 1.511 0.02 . 2 . . . . . . . . 7012 1
159 . 1 1 18 18 ILE HG21 H 1 0.960 0.02 . 1 . . . . . . . . 7012 1
160 . 1 1 18 18 ILE HG22 H 1 0.960 0.02 . 1 . . . . . . . . 7012 1
161 . 1 1 18 18 ILE HG23 H 1 0.960 0.02 . 1 . . . . . . . . 7012 1
162 . 1 1 18 18 ILE CA C 13 62.660 0.4 . 1 . . . . . . . . 7012 1
163 . 1 1 18 18 ILE CB C 13 39.721 0.4 . 1 . . . . . . . . 7012 1
164 . 1 1 18 18 ILE CG1 C 13 27.260 0.4 . 1 . . . . . . . . 7012 1
165 . 1 1 18 18 ILE CG2 C 13 17.579 0.4 . 1 . . . . . . . . 7012 1
stop_
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