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BMRB: 31137


31137
8VL4
Solution NMR Structure of de novo design protein 312 parent
Authors
McShan, A.C., Simma, M.K.
Assembly
De novo design protein 312 parent
Entity
1. De novo design protein 312 parent (polymer, Thiol state: not present), 115 monomers, 12953.81 Da Detail

GLLTREEIEA ALKEAGFTEE EIRKVLAWLE RVGGERKVLK VAGKILIIVE KRAGSRLLLL YAGRVIEKEG MSREEVEAIK QLISAGATVE EIEAIIKRIE ARGSHHWGSH HHHHH


Formula weight
12953.81 Da
Source organism
synthetic construct
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 94, 13C: 276, 15N: 94 assignments Detail
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IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111GLYCC173.226
211GLYCAC45.456
312LEUHH8.346
412LEUCC176.456
512LEUCAC54.745
612LEUCBC42.034
712LEUNN121.598
813LEUHH8.506
913LEUCC177.887
1013LEUCAC55.965
1113LEUCBC44.208
1213LEUNN122.346
1314THRHH8.234
1414THRCC175.197
1514THRCAC60.227
1614THRCBC71.924
1714THRNN111.079
1815ARGHH8.866
1915ARGCC178.366
2015ARGCAC60.103
2115ARGCBC29.843
2215ARGNN121.926
2316GLUHH7.506
2416GLUCC179.742
2516GLUCAC58.510
2616GLUCBC30.012
2716GLUNN118.928
2817GLUHH7.989
2917GLUCC178.124
3017GLUCAC61.751
3117GLUCBC28.626
3217GLUNN121.476
3318ILEHH8.567
3418ILECC179.197
3518ILECAC57.561
3618ILECBC42.363
3718ILENN118.818
3819GLUHH7.655
3919GLUCC178.508
4019GLUCAC58.403
4119GLUCBC29.718
4219GLUNN116.970
43110ALAHH7.585
44110ALACC180.434
45110ALACAC55.129
46110ALACBC18.053
47110ALANN119.846
48111ALAHH7.861
49111ALACC175.910
50111ALACAC54.703
51111ALACBC18.241
52111ALANN120.801
53112LEUHH8.440
54112LEUCC179.258
55112LEUCAC57.877
56112LEUCBC41.603
57112LEUNN118.630
58113LYSHH8.280
59113LYSCC181.350
60113LYSCAC60.018
61113LYSCBC32.158
62113LYSNN121.830
63114GLUHH7.994
64114GLUCC177.472
65114GLUCAC59.068
66114GLUCBC29.338
67114GLUNN121.373
68115ALAHH7.674
69115ALACC176.568
70115ALACAC52.052
71115ALACBC19.035
72115ALANN119.534
73116GLYHH7.672
74116GLYCC174.895
75116GLYCAC45.906
76116GLYNN104.552
77117PHEHH7.889
78117PHECC176.101
79117PHECAC58.487
80117PHECBC39.977
81117PHENN119.279
82118THRHH8.885
83118THRCC175.457
84118THRCAC60.678
85118THRCBC71.251
86118THRNN113.000
87119GLUHH8.975
88119GLUCC178.851
89119GLUCAC60.679
90119GLUCBC29.321
91119GLUNN120.471
92120GLUHH8.601
93120GLUCC179.041
94120GLUCAC59.723
95120GLUCBC29.395
96120GLUNN118.321
97121GLUHH7.557
98121GLUCC179.312
99121GLUCAC59.188
100121GLUCBC30.191
101121GLUNN119.654
102122ILEHH8.687
103122ILECC177.514
104122ILECAC66.569
105122ILECBC37.951
106122ILENN120.430
107123ARGHH7.981
108123ARGCC179.658
109123ARGCAC60.063
110123ARGCBC29.960
111123ARGNN118.028
112124LYSHH7.508
113124LYSCC179.732
114124LYSCAC59.894
115124LYSCBC32.480
116124LYSNN118.911
117125VALHH8.200
118125VALCC177.860
119125VALCAC66.851
120125VALCBC31.327
121125VALNN122.143
122126LEUHH8.538
123126LEUCAC58.077
124126LEUCBC40.397
125126LEUNN119.301
126130GLUCC177.962
127131ARGHH7.504
128131ARGCC178.145
129131ARGCAC57.652
130131ARGCBC30.726
131131ARGNN117.870
132132VALHH7.697
133132VALCC176.491
134132VALCAC63.953
135132VALCBC31.672
136132VALNN117.832
137133GLYHH7.374
138133GLYCC173.305
139133GLYCAC45.260
140133GLYNN108.011
141134GLYHH7.974
142134GLYCC174.060
143134GLYCAC44.998
144134GLYNN104.865
145135GLUHH8.178
146135GLUCC175.909
147135GLUCAC55.842
148135GLUCBC30.621
149135GLUNN120.303
150136ARGHH8.531
151136ARGCC175.262
152136ARGCAC54.885
153136ARGCBC32.692
154136ARGNN124.240
155137LYSHH8.899
156137LYSCC174.281
157137LYSCAC55.268
158137LYSCBC35.538
159137LYSNN123.439
160138VALHH8.595
161138VALCC174.269
162138VALCAC61.451
163138VALCBC32.848
164138VALNN123.494
165139LEUHH9.349
166139LEUCC174.605
167139LEUCAC53.773
168139LEUCBC45.690
169139LEUNN127.594
170140LYSHH8.556
171140LYSCC179.714
172140LYSCAC55.198
173140LYSCBC34.180
174140LYSNN122.906
175141VALHH7.784
176141VALCC177.738
177141VALCAC59.287
178141VALCBC29.573
179141VALNN121.474
180142ALAHH8.125
181142ALACC176.991
182142ALACAC52.539
183142ALACBC19.162
184142ALANN118.632
185143GLYHH7.585
186143GLYCC174.102
187143GLYCAC45.464
188143GLYNN106.743
189144LYSHH8.144
190144LYSCC174.671
191144LYSCAC55.268
192144LYSCBC34.407
193144LYSNN120.373
194145ILEHH8.510
195145ILECC173.621
196145ILECAC59.671
197145ILECBC39.136
198145ILENN120.686
199146LEUHH9.158
200146LEUCC174.724
201146LEUCAC53.211
202146LEUCBC45.542
203146LEUNN128.805
204147ILEHH9.404
205147ILECC174.579
206147ILECAC60.502
207147ILECBC39.958
208147ILENN124.574
209148ILEHH9.000
210148ILECC175.536
211148ILECAC59.891
212148ILECBC40.924
213148ILENN126.293
214149VALHH9.059
215149VALCAC61.418
216149VALCBC33.651
217149VALNN127.181
218150GLUCC173.630
219151LYSHH8.144
220151LYSCC175.773
221151LYSCAC54.998
222151LYSCBC34.068
223151LYSNN120.167
224152ARGHH8.729
225152ARGCC174.340
226152ARGCAC60.711
227152ARGCBC34.293
228152ARGNN125.016
229153ALAHH9.062
230153ALACC177.076
231153ALACAC53.080
232153ALACBC17.609
233153ALANN129.491
234154GLYHH8.437
235154GLYCC173.560
236154GLYCAC45.712
237154GLYNN105.146
238155SERHH8.825
239155SERCC172.971
240155SERCAC59.419
241155SERCBC65.037
242155SERNN118.853
243156ARGHH8.975
244156ARGCC173.560
245156ARGCAC54.657
246156ARGCBC34.358
247156ARGNN121.712
248157LEUHH8.685
249157LEUCC174.449
250157LEUCAC53.882
251157LEUCBC46.242
252157LEUNN123.119
253158LEUHH9.233
254158LEUCC174.456
255158LEUCAC53.949
256158LEUCBC45.653
257158LEUNN124.385
258159LEUHH9.153
259159LEUCC174.677
260159LEUCAC53.706
261159LEUCBC45.057
262159LEUNN125.115
263160LEUHH9.443
264160LEUCC180.724
265160LEUCAC54.930
266160LEUCBC43.331
267160LEUNN126.602
268161TYRHH8.437
269161TYRCC173.270
270161TYRCAC58.054
271161TYRCBC39.680
272161TYRNN118.663
273162ALAHH8.802
274162ALACC176.734
275162ALACAC52.956
276162ALACBC17.302
277162ALANN127.964
278163GLYHH6.510
279163GLYCC173.729
280163GLYCAC45.696
281163GLYNN102.092
282164ARGHH8.174
283164ARGCC173.657
284164ARGCAC55.674
285164ARGCBC30.254
286164ARGNN120.405
287165VALHH8.155
288165VALCC175.441
289165VALCAC61.255
290165VALCBC33.730
291165VALNN120.461
292166ILEHH8.993
293166ILECC173.608
294166ILECAC60.349
295166ILECBC40.412
296166ILENN128.445
297167GLUHH8.578
298167GLUCC175.360
299167GLUCAC54.325
300167GLUCBC33.336
301167GLUNN126.786
302168LYSHH9.011
303168LYSCC174.772
304168LYSCAC54.661
305168LYSCBC35.424
306168LYSNN125.011
307169GLUHH8.741
308169GLUCC176.128
309169GLUCAC55.454
310169GLUCBC32.243
311169GLUNN124.516
312170GLYHH8.568
313170GLYCC178.074
314170GLYCAC46.608
315170GLYNN109.419
316171METHH8.351
317171METCC176.638
318171METCAC56.129
319171METCBC34.812
320171METNN119.022
321172SERHH9.184
322172SERCC175.048
323172SERCAC57.142
324172SERCBC65.709
325172SERNN120.353
326173ARGHH8.908
327173ARGCAC59.733
328173ARGCBC29.679
329173ARGNN122.139
330174GLUCC177.924
331175GLUHH8.997
332175GLUCC179.789
333175GLUCAC60.486
334175GLUCBC28.792
335175GLUNN117.533
336176VALHH7.757
337176VALCC177.467
338176VALCAC58.915
339176VALCBC30.851
340176VALNN119.835
341177GLUHH8.694
342177GLUCC178.755
343177GLUCAC60.555
344177GLUCBC28.742
345177GLUNN119.277
346178ALAHH7.769
347178ALACC180.714
348178ALACAC55.191
349178ALACBC17.842
350178ALANN121.392
351179ILEHH7.755
352179ILECC177.515
353179ILECAC64.792
354179ILECBC37.293
355179ILENN118.714
356180LYSHH8.401
357180LYSCC179.189
358180LYSCAC60.773
359180LYSCBC32.134
360180LYSNN119.879
361181GLNHH8.202
362181GLNCC178.667
363181GLNCAC58.859
364181GLNCBC28.037
365181GLNNN118.501
366182LEUHH7.760
367182LEUCC179.269
368182LEUCAC58.088
369182LEUCBC42.114
370182LEUNN120.960
371183ILEHH8.129
372183ILECC179.693
373183ILECAC64.537
374183ILECBC37.584
375183ILENN117.674
376184SERHH8.191
377184SERCC174.935
378184SERCAC61.472
379184SERCBC63.275
380184SERNN116.305
381185ALAHH7.730
382185ALACC177.975
383185ALACAC52.550
384185ALACBC18.924
385185ALANN121.983
386186GLYHH7.733
387186GLYCC174.269
388186GLYCAC45.629
389186GLYNN106.423
390187ALAHH7.754
391187ALACC177.457
392187ALACAC52.382
393187ALACBC20.479
394187ALANN123.059
395188THRHH8.445
396188THRCC175.867
397188THRCAC60.654
398188THRCBC71.455
399188THRNN111.361
400189VALHH8.647
401189VALCC179.901
402189VALCAC66.698
403189VALCBC31.297
404189VALNN119.637
405190GLUHH7.708
406190GLUCC178.687
407190GLUCAC59.207
408190GLUCBC30.029
409190GLUNN120.725
410191GLUHH8.037
411191GLUCC179.730
412191GLUCAC59.067
413191GLUCBC30.756
414191GLUNN118.703
415192ILEHH8.151
416192ILECC177.193
417192ILECAC65.991
418192ILECBC37.976
419192ILENN121.930
420193GLUHH8.722
421193GLUCC178.207
422193GLUCAC60.789
423193GLUCBC29.721
424193GLUNN119.944
425194ALAHH7.790
426194ALACC180.394
427194ALACAC55.252
428194ALACBC18.113
429194ALANN119.305
430195ILEHH7.584
431195ILECC178.105
432195ILECAC64.334
433195ILECBC37.719
434195ILENN119.192
435196ILEHH8.075
436196ILECAC65.117
437196ILECBC37.206
438196ILENN120.224
439197LYSCC178.386
440197LYSCAC58.510
441198ARGHH7.504
442198ARGCC177.997
443198ARGCAC58.155
444198ARGCBC30.220
445198ARGNN118.573
446199ILEHH7.913
447199ILECC177.465
448199ILECAC64.008
449199ILECBC38.173
450199ILENN120.791
4511100GLUHH8.325
4521100GLUCC177.130
4531100GLUCAC58.006
4541100GLUCBC30.075
4551100GLUNN121.009
4561101ALAHH7.834
4571101ALACC178.230
4581101ALACAC53.184
4591101ALACBC18.896
4601101ALANN122.271
4611102ARGHH8.003
4621102ARGCAC56.685
4631102ARGCBC30.572
4641102ARGNN119.042

Release date
2024-01-21
Citation
Solution NMR Structure of de novo design protein 312 parent
McShan, A.C., Simma, M.K.
Related entities 1. De novo design protein 312 parent, : 1 : 4 entities Detail
More details for 5 related entities
Experiments performed 6 experiments Detail
Chemical shift validation 3 contents Detail
Keywords DE NOVO PROTEIN, De Novo design, Fold-Switching, Machine Learning