Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 51716
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Co2+-bound Q163C/Q309C alpha M I-domain with Glutamate'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_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 '3D HNCACB' . . . 51716 1
2 '3D HN(CO)CACB' . . . 51716 1
3 '3D HNCO' . . . 51716 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 51716 1
3 $software_3 . . 51716 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 20 20 PHE H H 1 5.74 0.05 . 1 . . . . . 150 PHE H . 51716 1
2 . 1 . 1 20 20 PHE C C 13 176.4 0.5 . 1 . . . . . 150 PHE C . 51716 1
3 . 1 . 1 20 20 PHE N N 15 122.1 0.5 . 1 . . . . . 150 PHE N . 51716 1
4 . 1 . 1 21 21 ARG H H 1 6.75769 0.05 . 1 . . . . . 151 ARG H . 51716 1
5 . 1 . 1 21 21 ARG C C 13 179.1 0.5 . 1 . . . . . 151 ARG C . 51716 1
6 . 1 . 1 21 21 ARG CA C 13 59 0.5 . 1 . . . . . 151 ARG CA . 51716 1
7 . 1 . 1 21 21 ARG N N 15 115.29462 0.5 . 1 . . . . . 151 ARG N . 51716 1
8 . 1 . 1 22 22 ARG H H 1 6.67641 0.05 . 1 . . . . . 152 ARG H . 51716 1
9 . 1 . 1 22 22 ARG C C 13 177.5 0.5 . 1 . . . . . 152 ARG C . 51716 1
10 . 1 . 1 22 22 ARG CA C 13 58.3 0.5 . 1 . . . . . 152 ARG CA . 51716 1
11 . 1 . 1 22 22 ARG N N 15 118.89603 0.5 . 1 . . . . . 152 ARG N . 51716 1
12 . 1 . 1 23 23 MET H H 1 7.52214 0.05 . 1 . . . . . 153 MET H . 51716 1
13 . 1 . 1 23 23 MET C C 13 177.7 0.5 . 1 . . . . . 153 MET C . 51716 1
14 . 1 . 1 23 23 MET CA C 13 59.1 0.5 . 1 . . . . . 153 MET CA . 51716 1
15 . 1 . 1 23 23 MET N N 15 118.50436 0.5 . 1 . . . . . 153 MET N . 51716 1
16 . 1 . 1 24 24 LYS H H 1 6.79271 0.05 . 1 . . . . . 154 LYS H . 51716 1
17 . 1 . 1 24 24 LYS C C 13 178.2 0.5 . 1 . . . . . 154 LYS C . 51716 1
18 . 1 . 1 24 24 LYS CA C 13 60.1 0.5 . 1 . . . . . 154 LYS CA . 51716 1
19 . 1 . 1 24 24 LYS N N 15 116.51523 0.5 . 1 . . . . . 154 LYS N . 51716 1
20 . 1 . 1 25 25 GLU H H 1 7.08949 0.05 . 1 . . . . . 155 GLU H . 51716 1
21 . 1 . 1 25 25 GLU CA C 13 58 0.5 . 1 . . . . . 155 GLU CA . 51716 1
22 . 1 . 1 25 25 GLU N N 15 119.08643 0.5 . 1 . . . . . 155 GLU N . 51716 1
23 . 1 . 1 29 29 THR C C 13 176.6 0.5 . 1 . . . . . 159 THR C . 51716 1
24 . 1 . 1 30 30 VAL H H 1 8.14716 0.05 . 1 . . . . . 160 VAL H . 51716 1
25 . 1 . 1 30 30 VAL CA C 13 65.4 0.5 . 1 . . . . . 160 VAL CA . 51716 1
26 . 1 . 1 30 30 VAL N N 15 123.13152 0.5 . 1 . . . . . 160 VAL N . 51716 1
27 . 1 . 1 41 41 PHE H H 1 5.55292 0.05 . 1 . . . . . 171 PHE H . 51716 1
28 . 1 . 1 41 41 PHE C C 13 173.4 0.5 . 1 . . . . . 171 PHE C . 51716 1
29 . 1 . 1 41 41 PHE N N 15 115.07191 0.5 . 1 . . . . . 171 PHE N . 51716 1
30 . 1 . 1 42 42 SER H H 1 8.02423 0.05 . 1 . . . . . 172 SER H . 51716 1
31 . 1 . 1 42 42 SER C C 13 172.5 0.5 . 1 . . . . . 172 SER C . 51716 1
32 . 1 . 1 42 42 SER CA C 13 55.5 0.5 . 1 . . . . . 172 SER CA . 51716 1
33 . 1 . 1 42 42 SER N N 15 109.57449 0.5 . 1 . . . . . 172 SER N . 51716 1
34 . 1 . 1 43 43 LEU H H 1 7.3586 0.05 . 1 . . . . . 173 LEU H . 51716 1
35 . 1 . 1 43 43 LEU CA C 13 54.6 0.5 . 1 . . . . . 173 LEU CA . 51716 1
36 . 1 . 1 43 43 LEU N N 15 124.20178 0.5 . 1 . . . . . 173 LEU N . 51716 1
37 . 1 . 1 54 54 PHE C C 13 175.8 0.5 . 1 . . . . . 184 PHE C . 51716 1
38 . 1 . 1 55 55 THR H H 1 9.48231 0.05 . 1 . . . . . 185 THR H . 51716 1
39 . 1 . 1 55 55 THR CA C 13 59.9 0.5 . 1 . . . . . 185 THR CA . 51716 1
40 . 1 . 1 55 55 THR N N 15 116.32977 0.5 . 1 . . . . . 185 THR N . 51716 1
41 . 1 . 1 57 57 LYS C C 13 178.6 0.5 . 1 . . . . . 187 LYS C . 51716 1
42 . 1 . 1 58 58 GLU H H 1 8.09901 0.05 . 1 . . . . . 188 GLU H . 51716 1
43 . 1 . 1 58 58 GLU C C 13 180.1 0.5 . 1 . . . . . 188 GLU C . 51716 1
44 . 1 . 1 58 58 GLU CA C 13 58.9 0.5 . 1 . . . . . 188 GLU CA . 51716 1
45 . 1 . 1 58 58 GLU N N 15 120.05222 0.5 . 1 . . . . . 188 GLU N . 51716 1
46 . 1 . 1 59 59 PHE H H 1 8.81751 0.05 . 1 . . . . . 189 PHE H . 51716 1
47 . 1 . 1 59 59 PHE C C 13 176.3 0.5 . 1 . . . . . 189 PHE C . 51716 1
48 . 1 . 1 59 59 PHE CA C 13 61.6 0.5 . 1 . . . . . 189 PHE CA . 51716 1
49 . 1 . 1 59 59 PHE N N 15 120.44742 0.5 . 1 . . . . . 189 PHE N . 51716 1
50 . 1 . 1 60 60 GLN H H 1 8.48452 0.05 . 1 . . . . . 190 GLN H . 51716 1
51 . 1 . 1 60 60 GLN CA C 13 58.5 0.5 . 1 . . . . . 190 GLN CA . 51716 1
52 . 1 . 1 60 60 GLN N N 15 117.2606 0.5 . 1 . . . . . 190 GLN N . 51716 1
53 . 1 . 1 72 72 ILE C C 13 176.1 0.5 . 1 . . . . . 202 ILE C . 51716 1
54 . 1 . 1 73 73 THR H H 1 8.39234 0.05 . 1 . . . . . 203 THR H . 51716 1
55 . 1 . 1 73 73 THR C C 13 174 0.5 . 1 . . . . . 203 THR C . 51716 1
56 . 1 . 1 73 73 THR CA C 13 59.6 0.5 . 1 . . . . . 203 THR CA . 51716 1
57 . 1 . 1 73 73 THR N N 15 120.12615 0.5 . 1 . . . . . 203 THR N . 51716 1
58 . 1 . 1 74 74 GLN H H 1 8.20705 0.05 . 1 . . . . . 204 GLN H . 51716 1
59 . 1 . 1 74 74 GLN CA C 13 55.9 0.5 . 1 . . . . . 204 GLN CA . 51716 1
60 . 1 . 1 74 74 GLN N N 15 126.297 0.5 . 1 . . . . . 204 GLN N . 51716 1
61 . 1 . 1 82 82 ALA C C 13 178.3 0.5 . 1 . . . . . 212 ALA C . 51716 1
62 . 1 . 1 83 83 THR H H 1 9.24857 0.05 . 1 . . . . . 213 THR H . 51716 1
63 . 1 . 1 83 83 THR C C 13 176.3 0.5 . 1 . . . . . 213 THR C . 51716 1
64 . 1 . 1 83 83 THR CA C 13 67.4 0.5 . 1 . . . . . 213 THR CA . 51716 1
65 . 1 . 1 83 83 THR N N 15 119.56441 0.5 . 1 . . . . . 213 THR N . 51716 1
66 . 1 . 1 84 84 GLY H H 1 8.02 0.05 . 1 . . . . . 214 GLY H . 51716 1
67 . 1 . 1 84 84 GLY C C 13 173.8 0.5 . 1 . . . . . 214 GLY C . 51716 1
68 . 1 . 1 84 84 GLY CA C 13 47.3 0.5 . 1 . . . . . 214 GLY CA . 51716 1
69 . 1 . 1 84 84 GLY N N 15 107.7 0.5 . 1 . . . . . 214 GLY N . 51716 1
70 . 1 . 1 85 85 ILE H H 1 7.67167 0.05 . 1 . . . . . 215 ILE H . 51716 1
71 . 1 . 1 85 85 ILE CA C 13 65.9 0.5 . 1 . . . . . 215 ILE CA . 51716 1
72 . 1 . 1 85 85 ILE N N 15 121.85973 0.5 . 1 . . . . . 215 ILE N . 51716 1
73 . 1 . 1 96 96 THR C C 13 175.7 0.5 . 1 . . . . . 226 THR C . 51716 1
74 . 1 . 1 97 97 ASN H H 1 8.01341 0.05 . 1 . . . . . 227 ASN H . 51716 1
75 . 1 . 1 97 97 ASN CA C 13 52.8 0.5 . 1 . . . . . 227 ASN CA . 51716 1
76 . 1 . 1 97 97 ASN N N 15 117.5506 0.5 . 1 . . . . . 227 ASN N . 51716 1
77 . 1 . 1 98 98 GLY C C 13 173.2 0.5 . 1 . . . . . 228 GLY C . 51716 1
78 . 1 . 1 99 99 ALA H H 1 6.99029 0.05 . 1 . . . . . 229 ALA H . 51716 1
79 . 1 . 1 99 99 ALA CA C 13 51.7 0.5 . 1 . . . . . 229 ALA CA . 51716 1
80 . 1 . 1 99 99 ALA N N 15 121.514 0.5 . 1 . . . . . 229 ALA N . 51716 1
81 . 1 . 1 120 120 LEU C C 13 175.3 0.5 . 1 . . . . . 250 LEU C . 51716 1
82 . 1 . 1 121 121 GLY H H 1 8.11475 0.05 . 1 . . . . . 251 GLY H . 51716 1
83 . 1 . 1 121 121 GLY CA C 13 41.4 0.5 . 1 . . . . . 251 GLY CA . 51716 1
84 . 1 . 1 121 121 GLY N N 15 106.59093 0.5 . 1 . . . . . 251 GLY N . 51716 1
85 . 1 . 1 122 122 TYR C C 13 177.9 0.5 . 1 . . . . . 252 TYR C . 51716 1
86 . 1 . 1 123 123 GLU H H 1 9.56401 0.05 . 1 . . . . . 253 GLU H . 51716 1
87 . 1 . 1 123 123 GLU CA C 13 57.8 0.5 . 1 . . . . . 253 GLU CA . 51716 1
88 . 1 . 1 123 123 GLU N N 15 118.83727 0.5 . 1 . . . . . 253 GLU N . 51716 1
89 . 1 . 1 127 127 PRO C C 13 179.7 0.5 . 1 . . . . . 257 PRO C . 51716 1
90 . 1 . 1 128 128 GLU H H 1 7.15249 0.05 . 1 . . . . . 258 GLU H . 51716 1
91 . 1 . 1 128 128 GLU C C 13 177.2 0.5 . 1 . . . . . 258 GLU C . 51716 1
92 . 1 . 1 128 128 GLU CA C 13 59.6 0.5 . 1 . . . . . 258 GLU CA . 51716 1
93 . 1 . 1 128 128 GLU N N 15 117.36882 0.5 . 1 . . . . . 258 GLU N . 51716 1
94 . 1 . 1 129 129 ALA H H 1 7.48795 0.05 . 1 . . . . . 259 ALA H . 51716 1
95 . 1 . 1 129 129 ALA C C 13 179 0.5 . 1 . . . . . 259 ALA C . 51716 1
96 . 1 . 1 129 129 ALA CA C 13 54.9 0.5 . 1 . . . . . 259 ALA CA . 51716 1
97 . 1 . 1 129 129 ALA N N 15 120.95367 0.5 . 1 . . . . . 259 ALA N . 51716 1
98 . 1 . 1 130 130 ASP H H 1 8.41279 0.05 . 1 . . . . . 260 ASP H . 51716 1
99 . 1 . 1 130 130 ASP C C 13 180.4 0.5 . 1 . . . . . 260 ASP C . 51716 1
100 . 1 . 1 130 130 ASP CA C 13 56.8 0.5 . 1 . . . . . 260 ASP CA . 51716 1
101 . 1 . 1 130 130 ASP N N 15 116.70512 0.5 . 1 . . . . . 260 ASP N . 51716 1
102 . 1 . 1 131 131 ARG H H 1 8.282 0.05 . 1 . . . . . 261 ARG H . 51716 1
103 . 1 . 1 131 131 ARG C C 13 178.6 0.5 . 1 . . . . . 261 ARG C . 51716 1
104 . 1 . 1 131 131 ARG CA C 13 59 0.5 . 1 . . . . . 261 ARG CA . 51716 1
105 . 1 . 1 131 131 ARG N N 15 123.14935 0.5 . 1 . . . . . 261 ARG N . 51716 1
106 . 1 . 1 132 132 GLU H H 1 7.6522 0.05 . 1 . . . . . 262 GLU H . 51716 1
107 . 1 . 1 132 132 GLU CA C 13 55.2 0.5 . 1 . . . . . 262 GLU CA . 51716 1
108 . 1 . 1 132 132 GLU N N 15 115.44196 0.5 . 1 . . . . . 262 GLU N . 51716 1
109 . 1 . 1 144 144 ALA C C 13 179.8 0.5 . 1 . . . . . 274 ALA C . 51716 1
110 . 1 . 1 145 145 PHE H H 1 9.63319 0.05 . 1 . . . . . 275 PHE H . 51716 1
111 . 1 . 1 145 145 PHE C C 13 177.8 0.5 . 1 . . . . . 275 PHE C . 51716 1
112 . 1 . 1 145 145 PHE CA C 13 59.3 0.5 . 1 . . . . . 275 PHE CA . 51716 1
113 . 1 . 1 145 145 PHE N N 15 110.23431 0.5 . 1 . . . . . 275 PHE N . 51716 1
114 . 1 . 1 146 146 ARG H H 1 9.13531 0.05 . 1 . . . . . 276 ARG H . 51716 1
115 . 1 . 1 146 146 ARG C C 13 176.5 0.5 . 1 . . . . . 276 ARG C . 51716 1
116 . 1 . 1 146 146 ARG CA C 13 57.6 0.5 . 1 . . . . . 276 ARG CA . 51716 1
117 . 1 . 1 146 146 ARG N N 15 120.24161 0.5 . 1 . . . . . 276 ARG N . 51716 1
118 . 1 . 1 147 147 SER H H 1 8.28803 0.05 . 1 . . . . . 277 SER H . 51716 1
119 . 1 . 1 147 147 SER C C 13 174.6 0.5 . 1 . . . . . 277 SER C . 51716 1
120 . 1 . 1 147 147 SER CA C 13 56.7 0.5 . 1 . . . . . 277 SER CA . 51716 1
121 . 1 . 1 147 147 SER N N 15 112.53621 0.5 . 1 . . . . . 277 SER N . 51716 1
122 . 1 . 1 148 148 GLU H H 1 9.62609 0.05 . 1 . . . . . 278 GLU H . 51716 1
123 . 1 . 1 148 148 GLU CA C 13 59.5 0.5 . 1 . . . . . 278 GLU CA . 51716 1
124 . 1 . 1 148 148 GLU N N 15 126.19388 0.5 . 1 . . . . . 278 GLU N . 51716 1
125 . 1 . 1 149 149 LYS C C 13 180.2 0.5 . 1 . . . . . 279 LYS C . 51716 1
126 . 1 . 1 150 150 SER H H 1 8.91341 0.05 . 1 . . . . . 280 SER H . 51716 1
127 . 1 . 1 150 150 SER C C 13 178.4 0.5 . 1 . . . . . 280 SER C . 51716 1
128 . 1 . 1 150 150 SER CA C 13 61.8 0.5 . 1 . . . . . 280 SER CA . 51716 1
129 . 1 . 1 150 150 SER N N 15 116.38265 0.5 . 1 . . . . . 280 SER N . 51716 1
130 . 1 . 1 151 151 ARG H H 1 9.06917 0.05 . 1 . . . . . 281 ARG H . 51716 1
131 . 1 . 1 151 151 ARG CA C 13 60.9 0.5 . 1 . . . . . 281 ARG CA . 51716 1
132 . 1 . 1 151 151 ARG N N 15 124.38322 0.5 . 1 . . . . . 281 ARG N . 51716 1
133 . 1 . 1 152 152 GLN C C 13 179.5 0.5 . 1 . . . . . 282 GLN C . 51716 1
134 . 1 . 1 153 153 GLU H H 1 8.33 0.05 . 1 . . . . . 283 GLU H . 51716 1
135 . 1 . 1 153 153 GLU CA C 13 61.3 0.5 . 1 . . . . . 283 GLU CA . 51716 1
136 . 1 . 1 153 153 GLU N N 15 123.3 0.5 . 1 . . . . . 283 GLU N . 51716 1
137 . 1 . 1 157 157 ILE C C 13 175.3 0.5 . 1 . . . . . 287 ILE C . 51716 1
138 . 1 . 1 158 158 ALA H H 1 7.25347 0.05 . 1 . . . . . 288 ALA H . 51716 1
139 . 1 . 1 158 158 ALA CA C 13 52.1 0.5 . 1 . . . . . 288 ALA CA . 51716 1
140 . 1 . 1 158 158 ALA N N 15 119.87468 0.5 . 1 . . . . . 288 ALA N . 51716 1
141 . 1 . 1 165 165 HIS C C 13 171.8 0.5 . 1 . . . . . 295 HIS C . 51716 1
142 . 1 . 1 166 166 VAL H H 1 7.1447 0.05 . 1 . . . . . 296 VAL H . 51716 1
143 . 1 . 1 166 166 VAL CA C 13 61.3 0.5 . 1 . . . . . 296 VAL CA . 51716 1
144 . 1 . 1 166 166 VAL N N 15 119.95276 0.5 . 1 . . . . . 296 VAL N . 51716 1
145 . 1 . 1 167 167 PHE C C 13 174 0.5 . 1 . . . . . 297 PHE C . 51716 1
146 . 1 . 1 168 168 GLN H H 1 8.67235 0.05 . 1 . . . . . 298 GLN H . 51716 1
147 . 1 . 1 168 168 GLN CA C 13 54.6 0.5 . 1 . . . . . 298 GLN CA . 51716 1
148 . 1 . 1 168 168 GLN N N 15 121.41895 0.5 . 1 . . . . . 298 GLN N . 51716 1
stop_
save_