NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
570829 2m97 19285 cing 1-original 1 STAR chemical shift


# tsChemicalShifts_constraints.STR

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
loop_
    _Atom_chem_shift.ID
    _Atom_chem_shift.Comp_index_ID
    _Atom_chem_shift.Comp_ID
    _Atom_chem_shift.Atom_ID
    _Atom_chem_shift.Atom_type
    _Atom_chem_shift.Val
    _Atom_chem_shift.Val_err
    _Atom_chem_shift.Ambiguity_code

1              1              SER            C              C              175.068        0.2            1              
2              1              SER            CA             C              58.528         0.2            1              
3              1              SER            CB             C              64.249         0.2            1              
4              1              SER            H              H              8.747          0.010          1              
5              1              SER            N              N              118.618        0.1            1              
6              2              GLU            C              C              178.560        0.2            1              
7              2              GLU            CA             C              59.898         0.2            1              
8              2              GLU            CB             C              29.215         0.2            1              
9              2              GLU            H              H              8.881          0.010          1              
10             2              GLU            HA             H              4.059          0.010          1              
11             2              GLU            N              N              122.304        0.1            1              
12             3              GLU            C              C              179.048        0.2            1              
13             3              GLU            CA             C              59.270         0.2            1              
14             3              GLU            CB             C              29.343         0.2            1              
15             3              GLU            H              H              8.528          0.010          1              
16             3              GLU            HA             H              4.155          0.010          1              
17             3              GLU            N              N              120.033        0.1            1              
18             4              GLU            C              C              179.840        0.2            1              
19             4              GLU            CA             C              58.953         0.2            1              
20             4              GLU            CB             C              29.586         0.2            1              
21             4              GLU            H              H              8.101          0.010          1              
22             4              GLU            HA             H              4.176          0.010          1              
23             4              GLU            N              N              120.958        0.1            1              
24             5              LEU            C              C              179.432        0.2            1              
25             5              LEU            CA             C              57.940         0.2            1              
26             5              LEU            CB             C              41.647         0.2            1              
27             5              LEU            H              H              8.570          0.010          1              
28             5              LEU            HA             H              4.395          0.010          1              
29             5              LEU            N              N              120.900        0.1            1              
30             6              SER            C              C              176.745        0.2            1              
31             6              SER            CA             C              61.992         0.2            1              
32             6              SER            CB             C              62.341         0.2            1              
33             6              SER            H              H              8.604          0.010          1              
34             6              SER            HA             H              4.261          0.010          1              
35             6              SER            N              N              116.354        0.1            1              
36             7              GLU            C              C              178.189        0.2            1              
37             7              GLU            CA             C              58.831         0.2            1              
38             7              GLU            CB             C              28.965         0.2            1              
39             7              GLU            H              H              7.720          0.010          1              
40             7              GLU            HA             H              4.190          0.010          1              
41             7              GLU            N              N              122.072        0.1            1              
42             8              CYS            C              C              175.681        0.2            1              
43             8              CYS            CA             C              62.437         0.2            1              
44             8              CYS            CB             C              26.416         0.2            1              
45             8              CYS            H              H              8.019          0.010          1              
46             8              CYS            HA             H              4.053          0.010          1              
47             8              CYS            N              N              117.904        0.1            1              
48             9              PHE            C              C              175.681        0.2            1              
49             9              PHE            CA             C              62.181         0.2            1              
50             9              PHE            CB             C              39.277         0.2            1              
51             9              PHE            H              H              8.427          0.010          1              
52             9              PHE            HA             H              3.351          0.010          1              
53             9              PHE            N              N              119.590        0.1            1              
54             10             ARG            C              C              178.486        0.2            1              
55             10             ARG            CA             C              58.967         0.2            1              
56             10             ARG            CB             C              29.948         0.2            1              
57             10             ARG            H              H              7.558          0.010          1              
58             10             ARG            HA             H              3.953          0.010          1              
59             10             ARG            N              N              114.910        0.1            1              
60             11             ILE            C              C              178.112        0.2            1              
61             11             ILE            CA             C              63.622         0.2            1              
62             11             ILE            CB             C              37.340         0.2            1              
63             11             ILE            H              H              7.592          0.010          1              
64             11             ILE            HA             H              3.582          0.010          1              
65             11             ILE            N              N              118.349        0.1            1              
66             12             PHE            C              C              176.714        0.2            1              
67             12             PHE            CA             C              58.669         0.2            1              
68             12             PHE            CB             C              39.165         0.2            1              
69             12             PHE            H              H              7.554          0.010          1              
70             12             PHE            HA             H              4.477          0.010          1              
71             12             PHE            N              N              116.960        0.1            1              
72             13             ASP            C              C              176.772        0.2            1              
73             13             ASP            CA             C              52.106         0.2            1              
74             13             ASP            CB             C              37.794         0.2            1              
75             13             ASP            H              H              7.725          0.010          1              
76             13             ASP            HA             H              4.474          0.010          1              
77             13             ASP            N              N              119.667        0.1            1              
78             14             LYS            C              C              178.180        0.2            1              
79             14             LYS            CA             C              59.277         0.2            1              
80             14             LYS            CB             C              32.988         0.2            1              
81             14             LYS            H              H              7.577          0.010          1              
82             14             LYS            HA             H              3.933          0.010          1              
83             14             LYS            N              N              125.111        0.1            1              
84             15             ASP            C              C              177.680        0.2            1              
85             15             ASP            CA             C              52.565         0.2            1              
86             15             ASP            CB             C              39.322         0.2            1              
87             15             ASP            H              H              8.032          0.010          1              
88             15             ASP            HA             H              4.588          0.010          1              
89             15             ASP            N              N              114.010        0.1            1              
96             17             ASN            C              C              176.026        0.2            1              
97             17             ASN            CA             C              52.265         0.2            1              
98             17             ASN            CB             C              37.340         0.2            1              
99             17             ASN            H              H              8.118          0.010          1              
100            17             ASN            HA             H              4.600          0.010          1              
101            17             ASN            N              N              118.569        0.1            1              
102            18             GLY            C              C              172.479        0.2            1              
103            18             GLY            CA             C              45.110         0.2            1              
104            18             GLY            H              H              10.596         0.010          1              
105            18             GLY            HA2            H              4.103          0.010          2              
106            18             GLY            HA3            H              3.453          0.010          2              
107            18             GLY            N              N              112.477        0.1            1              
108            19             PHE            C              C              173.646        0.2            1              
109            19             PHE            CA             C              55.516         0.2            1              
110            19             PHE            CB             C              43.196         0.2            1              
111            19             PHE            H              H              7.500          0.010          1              
112            19             PHE            HA             H              5.291          0.010          1              
113            19             PHE            N              N              113.792        0.1            1              
114            20             ILE            C              C              175.764        0.2            1              
115            20             ILE            CA             C              58.933         0.2            1              
116            20             ILE            CB             C              37.846         0.2            1              
117            20             ILE            H              H              9.988          0.010          1              
118            20             ILE            HA             H              5.051          0.010          1              
119            20             ILE            N              N              126.629        0.1            1              
120            21             ASP            C              C              175.686        0.2            1              
121            21             ASP            CA             C              52.214         0.2            1              
122            21             ASP            CB             C              41.907         0.2            1              
123            21             ASP            H              H              9.322          0.010          1              
124            21             ASP            HA             H              5.124          0.010          1              
125            21             ASP            N              N              129.797        0.1            1              
126            22             ARG            C              C              178.803        0.2            1              
127            22             ARG            CA             C              58.193         0.2            1              
128            22             ARG            CB             C              28.264         0.2            1              
129            22             ARG            H              H              8.564          0.010          1              
130            22             ARG            HA             H              3.359          0.010          1              
131            22             ARG            N              N              118.041        0.1            1              
132            23             GLU            C              C              180.100        0.2            1              
133            23             GLU            CA             C              59.392         0.2            1              
134            23             GLU            CB             C              28.950         0.2            1              
135            23             GLU            H              H              8.309          0.010          1              
136            23             GLU            HA             H              4.108          0.010          1              
137            23             GLU            N              N              122.771        0.1            1              
138            24             GLU            C              C              179.466        0.2            1              
139            24             GLU            CA             C              58.237         0.2            1              
140            24             GLU            CB             C              30.455         0.2            1              
141            24             GLU            H              H              9.062          0.010          1              
142            24             GLU            HA             H              4.179          0.010          1              
143            24             GLU            N              N              122.272        0.1            1              
144            25             PHE            C              C              176.876        0.2            1              
145            25             PHE            CA             C              60.766         0.2            1              
146            25             PHE            CB             C              40.514         0.2            1              
147            25             PHE            H              H              8.931          0.010          1              
148            25             PHE            HA             H              4.050          0.010          1              
149            25             PHE            N              N              118.985        0.1            1              
150            26             GLY            C              C              175.475        0.2            1              
151            26             GLY            CA             C              47.163         0.2            1              
152            26             GLY            H              H              7.891          0.010          1              
153            26             GLY            HA2            H              4.126          0.010          2              
154            26             GLY            HA3            H              3.652          0.010          2              
155            26             GLY            N              N              103.509        0.1            1              
156            27             ASP            C              C              177.555        0.2            1              
157            27             ASP            CA             C              56.657         0.2            1              
158            27             ASP            CB             C              40.521         0.2            1              
159            27             ASP            H              H              7.492          0.010          1              
160            27             ASP            HA             H              4.545          0.010          1              
161            27             ASP            N              N              119.470        0.1            1              
162            28             ILE            C              C              178.112        0.2            1              
163            28             ILE            CA             C              63.693         0.2            1              
164            28             ILE            CB             C              36.967         0.2            1              
165            28             ILE            H              H              7.290          0.010          1              
166            28             ILE            HA             H              3.222          0.010          1              
167            28             ILE            N              N              119.005        0.1            1              
168            29             ILE            C              C              178.396        0.2            1              
169            29             ILE            CA             C              61.114         0.2            1              
170            29             ILE            CB             C              36.103         0.2            1              
171            29             ILE            H              H              7.217          0.010          1              
172            29             ILE            HA             H              3.792          0.010          1              
173            29             ILE            N              N              118.036        0.1            1              
174            30             ARG            C              C              178.243        0.2            1              
175            30             ARG            CA             C              58.528         0.2            1              
176            30             ARG            CB             C              29.873         0.2            1              
177            30             ARG            H              H              7.748          0.010          1              
178            30             ARG            HA             H              4.165          0.010          1              
179            30             ARG            N              N              120.280        0.1            1              
180            31             LEU            C              C              178.573        0.2            1              
181            31             LEU            CA             C              56.866         0.2            1              
182            31             LEU            CB             C              41.900         0.2            1              
183            31             LEU            H              H              7.614          0.010          1              
184            31             LEU            HA             H              4.211          0.010          1              
185            31             LEU            N              N              119.077        0.1            1              
186            32             THR            C              C              175.796        0.2            1              
187            32             THR            CA             C              62.532         0.2            1              
188            32             THR            CB             C              70.251         0.2            1              
189            32             THR            H              H              7.652          0.010          1              
190            32             THR            HA             H              4.346          0.010          1              
191            32             THR            N              N              108.038        0.1            1              
210            36             LEU            C              C              177.647        0.2            1              
211            36             LEU            CA             C              53.868         0.2            1              
212            36             LEU            CB             C              44.448         0.2            1              
213            36             LEU            H              H              7.790          0.010          1              
214            36             LEU            HA             H              4.764          0.010          1              
215            36             LEU            N              N              124.703        0.1            1              
216            37             THR            C              C              175.339        0.2            1              
217            37             THR            CA             C              60.591         0.2            1              
218            37             THR            CB             C              71.227         0.2            1              
219            37             THR            H              H              9.146          0.010          1              
220            37             THR            HA             H              4.485          0.010          1              
221            37             THR            N              N              114.475        0.1            1              
222            38             ASP            C              C              177.870        0.2            1              
223            38             ASP            CA             C              57.889         0.2            1              
224            38             ASP            CB             C              39.895         0.2            1              
225            38             ASP            H              H              8.857          0.010          1              
226            38             ASP            HA             H              4.255          0.010          1              
227            38             ASP            N              N              120.839        0.1            1              
228            39             GLU            C              C              179.052        0.2            1              
229            39             GLU            CA             C              59.662         0.2            1              
230            39             GLU            CB             C              28.823         0.2            1              
231            39             GLU            H              H              8.389          0.010          1              
232            39             GLU            HA             H              4.120          0.010          1              
233            39             GLU            N              N              118.596        0.1            1              
234            40             ASP            C              C              179.307        0.2            1              
235            40             ASP            CA             C              57.164         0.2            1              
236            40             ASP            CB             C              41.229         0.2            1              
237            40             ASP            H              H              7.768          0.010          1              
238            40             ASP            HA             H              4.460          0.010          1              
239            40             ASP            N              N              121.412        0.1            1              
240            41             VAL            C              C              177.685        0.2            1              
241            41             VAL            CA             C              67.286         0.2            1              
242            41             VAL            CB             C              31.498         0.2            1              
243            41             VAL            H              H              8.215          0.010          1              
244            41             VAL            HA             H              3.605          0.010          1              
245            41             VAL            N              N              121.053        0.1            1              
246            42             ASP            C              C              179.444        0.2            1              
247            42             ASP            CA             C              57.744         0.2            1              
248            42             ASP            CB             C              40.082         0.2            1              
249            42             ASP            H              H              8.527          0.010          1              
250            42             ASP            HA             H              4.213          0.010          1              
251            42             ASP            N              N              120.507        0.1            1              
252            43             GLU            C              C              178.328        0.2            1              
253            43             GLU            CA             C              59.264         0.2            1              
254            43             GLU            CB             C              29.277         0.2            1              
255            43             GLU            H              H              7.758          0.010          1              
256            43             GLU            HA             H              4.119          0.010          1              
257            43             GLU            N              N              121.091        0.1            1              
258            44             ILE            C              C              179.412        0.2            1              
259            44             ILE            CA             C              64.747         0.2            1              
260            44             ILE            CB             C              38.919         0.2            1              
261            44             ILE            H              H              7.934          0.010          1              
262            44             ILE            HA             H              3.957          0.010          1              
263            44             ILE            N              N              120.248        0.1            1              
264            45             PHE            C              C              176.732        0.2            1              
265            45             PHE            CA             C              62.039         0.2            1              
266            45             PHE            CB             C              38.562         0.2            1              
267            45             PHE            H              H              9.019          0.010          1              
268            45             PHE            HA             H              3.126          0.010          1              
269            45             PHE            N              N              124.028        0.1            1              
270            46             GLY            C              C              176.365        0.2            1              
271            46             GLY            CA             C              47.055         0.2            1              
272            46             GLY            H              H              8.219          0.010          1              
273            46             GLY            HA2            H              3.945          0.010          1              
274            46             GLY            HA3            H              3.945          0.010          1              
275            46             GLY            N              N              104.229        0.1            1              
276            47             ASP            C              C              178.101        0.2            1              
277            47             ASP            CA             C              56.235         0.2            1              
278            47             ASP            CB             C              40.558         0.2            1              
279            47             ASP            H              H              8.106          0.010          1              
280            47             ASP            HA             H              4.343          0.010          1              
281            47             ASP            N              N              119.686        0.1            1              
282            48             SER            C              C              173.432        0.2            1              
283            48             SER            CA             C              59.878         0.2            1              
284            48             SER            CB             C              63.709         0.2            1              
285            48             SER            H              H              7.567          0.010          1              
286            48             SER            HA             H              4.281          0.010          1              
287            48             SER            N              N              113.923        0.1            1              
294            50             THR            C              C              176.041        0.2            1              
295            50             THR            CA             C              65.351         0.2            1              
296            50             THR            CB             C              68.597         0.2            1              
297            50             THR            H              H              7.841          0.010          1              
298            50             THR            HA             H              3.863          0.010          1              
299            50             THR            N              N              119.204        0.1            1              
300            51             ASP            C              C              175.994        0.2            1              
301            51             ASP            CA             C              52.795         0.2            1              
302            51             ASP            CB             C              39.098         0.2            1              
303            51             ASP            H              H              7.972          0.010          1              
304            51             ASP            HA             H              4.607          0.010          1              
305            51             ASP            N              N              117.233        0.1            1              
306            52             LYS            C              C              176.126        0.2            1              
307            52             LYS            CA             C              56.238         0.2            1              
308            52             LYS            CB             C              28.711         0.2            1              
309            52             LYS            H              H              7.729          0.010          1              
310            52             LYS            HA             H              3.961          0.010          1              
311            52             LYS            N              N              113.938        0.1            1              
318            54             GLY            C              C              172.983        0.2            1              
319            54             GLY            CA             C              45.671         0.2            1              
320            54             GLY            H              H              10.782         0.010          1              
321            54             GLY            HA2            H              4.161          0.010          2              
322            54             GLY            HA3            H              3.605          0.010          2              
323            54             GLY            N              N              113.327        0.1            1              
324            55             ARG            C              C              173.745        0.2            1              
325            55             ARG            CA             C              54.044         0.2            1              
326            55             ARG            CB             C              33.457         0.2            1              
327            55             ARG            H              H              7.501          0.010          1              
328            55             ARG            HA             H              4.826          0.010          1              
329            55             ARG            N              N              115.634        0.1            1              
330            56             ILE            C              C              175.886        0.2            1              
331            56             ILE            CA             C              58.892         0.2            1              
332            56             ILE            CB             C              36.907         0.2            1              
333            56             ILE            H              H              9.592          0.010          1              
334            56             ILE            HA             H              5.127          0.010          1              
335            56             ILE            N              N              127.446        0.1            1              
336            57             ASP            C              C              175.630        0.2            1              
337            57             ASP            CA             C              52.329         0.2            1              
338            57             ASP            CB             C              42.175         0.2            1              
339            57             ASP            H              H              9.267          0.010          1              
340            57             ASP            HA             H              5.185          0.010          1              
341            57             ASP            N              N              129.499        0.1            1              
342            58             PHE            C              C              176.306        0.2            1              
343            58             PHE            CA             C              61.806         0.2            1              
344            58             PHE            CB             C              38.539         0.2            1              
345            58             PHE            H              H              8.799          0.010          1              
346            58             PHE            HA             H              3.761          0.010          1              
347            58             PHE            N              N              118.391        0.1            1              
348            59             ASP            C              C              179.808        0.2            1              
349            59             ASP            CA             C              57.781         0.2            1              
350            59             ASP            CB             C              41.399         0.2            1              
351            59             ASP            H              H              7.930          0.010          1              
352            59             ASP            HA             H              4.167          0.010          1              
353            59             ASP            N              N              118.077        0.1            1              
354            60             GLU            C              C              180.287        0.2            1              
355            60             GLU            CA             C              58.326         0.2            1              
356            60             GLU            CB             C              29.925         0.2            1              
357            60             GLU            H              H              7.331          0.010          1              
358            60             GLU            HA             H              3.967          0.010          1              
359            60             GLU            N              N              117.047        0.1            1              
360            61             PHE            C              C              176.012        0.2            1              
361            61             PHE            CA             C              61.100         0.2            1              
362            61             PHE            CB             C              39.493         0.2            1              
363            61             PHE            H              H              9.079          0.010          1              
364            61             PHE            HA             H              4.155          0.010          1              
365            61             PHE            N              N              124.075        0.1            1              
366            62             LEU            C              C              179.855        0.2            1              
367            62             LEU            CA             C              58.109         0.2            1              
368            62             LEU            CB             C              40.495         0.2            1              
369            62             LEU            H              H              8.416          0.010          1              
370            62             LEU            HA             H              3.501          0.010          1              
371            62             LEU            N              N              119.964        0.1            1              
372            63             LYS            C              C              178.875        0.2            1              
373            63             LYS            CA             C              58.288         0.2            1              
374            63             LYS            CB             C              31.683         0.2            1              
375            63             LYS            H              H              8.804          0.010          1              
376            63             LYS            HA             H              4.060          0.010          1              
377            63             LYS            N              N              121.221        0.1            1              
378            64             MET            C              C              178.427        0.2            1              
379            64             MET            CA             C              58.374         0.2            1              
380            64             MET            CB             C              32.200         0.2            1              
381            64             MET            H              H              7.895          0.010          1              
382            64             MET            HA             H              4.108          0.010          1              
383            64             MET            N              N              119.896        0.1            1              
384            65             MET            C              C              178.184        0.2            1              
385            65             MET            CA             C              55.118         0.2            1              
386            65             MET            CB             C              30.790         0.2            1              
387            65             MET            H              H              7.859          0.010          1              
388            65             MET            HA             H              4.337          0.010          1              
389            65             MET            N              N              116.299        0.1            1              
390            66             GLU            C              C              177.017        0.2            1              
391            66             GLU            CA             C              58.092         0.2            1              
392            66             GLU            CB             C              29.619         0.2            1              
393            66             GLU            H              H              7.568          0.010          1              
394            66             GLU            HA             H              4.091          0.010          1              
395            66             GLU            N              N              119.624        0.1            1              
396            67             ASN            C              C              175.231        0.2            1              
397            67             ASN            CA             C              53.440         0.2            1              
398            67             ASN            CB             C              39.284         0.2            1              
399            67             ASN            H              H              7.819          0.010          1              
400            67             ASN            HA             H              4.776          0.010          1              
401            67             ASN            N              N              116.153        0.1            1              

stop_



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