data_16467_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16467
_Entry.PDB_ID 2KNH
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 0 0.000 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 1 2 "RMS(OBS, PRED)" C 0 0.000 1
8 1 1 2 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 1 2 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 1 2 "RMS(OBS, PRED)" H 0 0.000 1
11 1 1 2 "RMS(OBS, PRED)" HA 0 0.000 1
12 1 1 2 "RMS(OBS, PRED)" N 0 0.000 1
13 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 2 1 "RMS(OBS, PRED)" H 0 0.000 1
17 1 2 1 "RMS(OBS, PRED)" HA 0 0.000 1
18 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 2 2 "RMS(OBS, PRED)" C 0 0.000 1
20 1 2 2 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 2 2 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 2 2 "RMS(OBS, PRED)" H 0 0.000 1
23 1 2 2 "RMS(OBS, PRED)" HA 0 0.000 1
24 1 2 2 "RMS(OBS, PRED)" N 0 0.000 1
25 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 3 1 "RMS(OBS, PRED)" H 0 0.000 1
29 1 3 1 "RMS(OBS, PRED)" HA 0 0.000 1
30 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 3 2 "RMS(OBS, PRED)" C 0 0.000 1
32 1 3 2 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 3 2 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 3 2 "RMS(OBS, PRED)" H 0 0.000 1
35 1 3 2 "RMS(OBS, PRED)" HA 0 0.000 1
36 1 3 2 "RMS(OBS, PRED)" N 0 0.000 1
37 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 4 1 "RMS(OBS, PRED)" H 0 0.000 1
41 1 4 1 "RMS(OBS, PRED)" HA 0 0.000 1
42 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 4 2 "RMS(OBS, PRED)" C 0 0.000 1
44 1 4 2 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 4 2 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 4 2 "RMS(OBS, PRED)" H 0 0.000 1
47 1 4 2 "RMS(OBS, PRED)" HA 0 0.000 1
48 1 4 2 "RMS(OBS, PRED)" N 0 0.000 1
49 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 5 1 "RMS(OBS, PRED)" H 0 0.000 1
53 1 5 1 "RMS(OBS, PRED)" HA 0 0.000 1
54 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 5 2 "RMS(OBS, PRED)" C 0 0.000 1
56 1 5 2 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 5 2 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 5 2 "RMS(OBS, PRED)" H 0 0.000 1
59 1 5 2 "RMS(OBS, PRED)" HA 0 0.000 1
60 1 5 2 "RMS(OBS, PRED)" N 0 0.000 1
61 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 6 1 "RMS(OBS, PRED)" H 0 0.000 1
65 1 6 1 "RMS(OBS, PRED)" HA 0 0.000 1
66 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 6 2 "RMS(OBS, PRED)" C 0 0.000 1
68 1 6 2 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 6 2 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 6 2 "RMS(OBS, PRED)" H 0 0.000 1
71 1 6 2 "RMS(OBS, PRED)" HA 0 0.000 1
72 1 6 2 "RMS(OBS, PRED)" N 0 0.000 1
73 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 7 1 "RMS(OBS, PRED)" H 0 0.000 1
77 1 7 1 "RMS(OBS, PRED)" HA 0 0.000 1
78 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 7 2 "RMS(OBS, PRED)" C 0 0.000 1
80 1 7 2 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 7 2 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 7 2 "RMS(OBS, PRED)" H 0 0.000 1
83 1 7 2 "RMS(OBS, PRED)" HA 0 0.000 1
84 1 7 2 "RMS(OBS, PRED)" N 0 0.000 1
85 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 8 1 "RMS(OBS, PRED)" H 0 0.000 1
89 1 8 1 "RMS(OBS, PRED)" HA 0 0.000 1
90 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 8 2 "RMS(OBS, PRED)" C 0 0.000 1
92 1 8 2 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 8 2 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 8 2 "RMS(OBS, PRED)" H 0 0.000 1
95 1 8 2 "RMS(OBS, PRED)" HA 0 0.000 1
96 1 8 2 "RMS(OBS, PRED)" N 0 0.000 1
97 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 9 1 "RMS(OBS, PRED)" H 0 0.000 1
101 1 9 1 "RMS(OBS, PRED)" HA 0 0.000 1
102 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 9 2 "RMS(OBS, PRED)" C 0 0.000 1
104 1 9 2 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 9 2 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 9 2 "RMS(OBS, PRED)" H 0 0.000 1
107 1 9 2 "RMS(OBS, PRED)" HA 0 0.000 1
108 1 9 2 "RMS(OBS, PRED)" N 0 0.000 1
109 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 10 1 "RMS(OBS, PRED)" H 0 0.000 1
113 1 10 1 "RMS(OBS, PRED)" HA 0 0.000 1
114 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 10 2 "RMS(OBS, PRED)" C 0 0.000 1
116 1 10 2 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 10 2 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 10 2 "RMS(OBS, PRED)" H 0 0.000 1
119 1 10 2 "RMS(OBS, PRED)" HA 0 0.000 1
120 1 10 2 "RMS(OBS, PRED)" N 0 0.000 1
121 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
123 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
124 1 11 1 "RMS(OBS, PRED)" H 0 0.000 1
125 1 11 1 "RMS(OBS, PRED)" HA 0 0.000 1
126 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
127 1 11 2 "RMS(OBS, PRED)" C 0 0.000 1
128 1 11 2 "RMS(OBS, PRED)" CA 0 0.000 1
129 1 11 2 "RMS(OBS, PRED)" CB 0 0.000 1
130 1 11 2 "RMS(OBS, PRED)" H 0 0.000 1
131 1 11 2 "RMS(OBS, PRED)" HA 0 0.000 1
132 1 11 2 "RMS(OBS, PRED)" N 0 0.000 1
133 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
135 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
136 1 12 1 "RMS(OBS, PRED)" H 0 0.000 1
137 1 12 1 "RMS(OBS, PRED)" HA 0 0.000 1
138 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
139 1 12 2 "RMS(OBS, PRED)" C 0 0.000 1
140 1 12 2 "RMS(OBS, PRED)" CA 0 0.000 1
141 1 12 2 "RMS(OBS, PRED)" CB 0 0.000 1
142 1 12 2 "RMS(OBS, PRED)" H 0 0.000 1
143 1 12 2 "RMS(OBS, PRED)" HA 0 0.000 1
144 1 12 2 "RMS(OBS, PRED)" N 0 0.000 1
145 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
147 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
148 1 13 1 "RMS(OBS, PRED)" H 0 0.000 1
149 1 13 1 "RMS(OBS, PRED)" HA 0 0.000 1
150 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
151 1 13 2 "RMS(OBS, PRED)" C 0 0.000 1
152 1 13 2 "RMS(OBS, PRED)" CA 0 0.000 1
153 1 13 2 "RMS(OBS, PRED)" CB 0 0.000 1
154 1 13 2 "RMS(OBS, PRED)" H 0 0.000 1
155 1 13 2 "RMS(OBS, PRED)" HA 0 0.000 1
156 1 13 2 "RMS(OBS, PRED)" N 0 0.000 1
157 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
158 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
159 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
160 1 14 1 "RMS(OBS, PRED)" H 0 0.000 1
161 1 14 1 "RMS(OBS, PRED)" HA 0 0.000 1
162 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
163 1 14 2 "RMS(OBS, PRED)" C 0 0.000 1
164 1 14 2 "RMS(OBS, PRED)" CA 0 0.000 1
165 1 14 2 "RMS(OBS, PRED)" CB 0 0.000 1
166 1 14 2 "RMS(OBS, PRED)" H 0 0.000 1
167 1 14 2 "RMS(OBS, PRED)" HA 0 0.000 1
168 1 14 2 "RMS(OBS, PRED)" N 0 0.000 1
169 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
170 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
171 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
172 1 15 1 "RMS(OBS, PRED)" H 0 0.000 1
173 1 15 1 "RMS(OBS, PRED)" HA 0 0.000 1
174 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
175 1 15 2 "RMS(OBS, PRED)" C 0 0.000 1
176 1 15 2 "RMS(OBS, PRED)" CA 0 0.000 1
177 1 15 2 "RMS(OBS, PRED)" CB 0 0.000 1
178 1 15 2 "RMS(OBS, PRED)" H 0 0.000 1
179 1 15 2 "RMS(OBS, PRED)" HA 0 0.000 1
180 1 15 2 "RMS(OBS, PRED)" N 0 0.000 1
181 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
182 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
183 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
184 1 16 1 "RMS(OBS, PRED)" H 0 0.000 1
185 1 16 1 "RMS(OBS, PRED)" HA 0 0.000 1
186 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
187 1 16 2 "RMS(OBS, PRED)" C 0 0.000 1
188 1 16 2 "RMS(OBS, PRED)" CA 0 0.000 1
189 1 16 2 "RMS(OBS, PRED)" CB 0 0.000 1
190 1 16 2 "RMS(OBS, PRED)" H 0 0.000 1
191 1 16 2 "RMS(OBS, PRED)" HA 0 0.000 1
192 1 16 2 "RMS(OBS, PRED)" N 0 0.000 1
193 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
194 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
195 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
196 1 17 1 "RMS(OBS, PRED)" H 0 0.000 1
197 1 17 1 "RMS(OBS, PRED)" HA 0 0.000 1
198 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
199 1 17 2 "RMS(OBS, PRED)" C 0 0.000 1
200 1 17 2 "RMS(OBS, PRED)" CA 0 0.000 1
201 1 17 2 "RMS(OBS, PRED)" CB 0 0.000 1
202 1 17 2 "RMS(OBS, PRED)" H 0 0.000 1
203 1 17 2 "RMS(OBS, PRED)" HA 0 0.000 1
204 1 17 2 "RMS(OBS, PRED)" N 0 0.000 1
205 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
206 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
207 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
208 1 18 1 "RMS(OBS, PRED)" H 0 0.000 1
209 1 18 1 "RMS(OBS, PRED)" HA 0 0.000 1
210 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
211 1 18 2 "RMS(OBS, PRED)" C 0 0.000 1
212 1 18 2 "RMS(OBS, PRED)" CA 0 0.000 1
213 1 18 2 "RMS(OBS, PRED)" CB 0 0.000 1
214 1 18 2 "RMS(OBS, PRED)" H 0 0.000 1
215 1 18 2 "RMS(OBS, PRED)" HA 0 0.000 1
216 1 18 2 "RMS(OBS, PRED)" N 0 0.000 1
217 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
218 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
219 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
220 1 19 1 "RMS(OBS, PRED)" H 0 0.000 1
221 1 19 1 "RMS(OBS, PRED)" HA 0 0.000 1
222 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
223 1 19 2 "RMS(OBS, PRED)" C 0 0.000 1
224 1 19 2 "RMS(OBS, PRED)" CA 0 0.000 1
225 1 19 2 "RMS(OBS, PRED)" CB 0 0.000 1
226 1 19 2 "RMS(OBS, PRED)" H 0 0.000 1
227 1 19 2 "RMS(OBS, PRED)" HA 0 0.000 1
228 1 19 2 "RMS(OBS, PRED)" N 0 0.000 1
229 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
230 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
231 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
232 1 20 1 "RMS(OBS, PRED)" H 0 0.000 1
233 1 20 1 "RMS(OBS, PRED)" HA 0 0.000 1
234 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
235 1 20 2 "RMS(OBS, PRED)" C 0 0.000 1
236 1 20 2 "RMS(OBS, PRED)" CA 0 0.000 1
237 1 20 2 "RMS(OBS, PRED)" CB 0 0.000 1
238 1 20 2 "RMS(OBS, PRED)" H 0 0.000 1
239 1 20 2 "RMS(OBS, PRED)" HA 0 0.000 1
240 1 20 2 "RMS(OBS, PRED)" N 0 0.000 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
stop_
save_