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. Author manuscript; available in PMC: 2011 Aug 1.
Published in final edited form as: J Magn Reson. 2010 May 25;205(2):304–314. doi: 10.1016/j.jmr.2010.05.013

Table 2.

Crosspeaks in 2D NCOCX spectrum of HET-s(218) fibrils.

NCOCX crosspeak number 15N shift (ppm) 13C shift (ppm) εN (ppm) εC (ppm) nmax possible residue types final assignment (1-72 numbering) final assignment (standard numbering)
1 119.0 54.0 0.3 0.15 1 A 30 A247
2 120.5 52.9 0.3 0.15 1 A 31 A248
3 118.1 51.1 0.3 0.15 1 A 20 A237
4 123.1 47.4 0.3 0.15 1 A 11 A228
5 118.8 49.9 0.3 0.15 1 N 9 N226
6 117.3 50.3 0.3 0.15 1 N 45 N262
7 120.4 49.7 0.3 0.15 1 DN 62 N279
8 122.5 49.3 0.3 0.15 1 DN 26 N243
9 116.7 51.7 0.3 0.15 1 EQ 17 E234
10 128.4 52.4 0.3 0.15 1 EQ 63 E280
11 112.9 57.4 0.3 0.15 1 EQ 48 E265
12 122.6 56.7 0.3 0.15 1 EQ 18 E235
13 116.2 52.1 0.3 0.15 1 EQ 55 E272
14 131.3 50.8 0.3 0.15 1 EQKR 23 Q240
15 128.3 46.4 0.3 0.15 1 G 54 G271
16 121.3 42.5 0.3 0.15 1 G 52 G269
17 114.3 41.9 0.3 0.15 1 G 61 G278
18 109.9 41.7 0.3 0.15 1 G 25 G242
19 113.7 44.1 0.3 0.15 1 G 65 G282
20 117.6 41.7 0.3 0.15 1 G 66 G283
21 123.5 42.3 0.3 0.15 1 G 68** G285**
22 119.8 43.3 0.3 0.15 1 G 36** G253**
23 129.6 58.9 0.3 0.15 1 I 14 I231
24 111.2 56.8 0.3 0.15 1 I 60 I277
25 117.9 57.5 0.3 0.15 1 K 12 K229
26 115.2 52.2 0.3 0.15 1 K 53 K270
27 113.4 50.8 0.3 0.15 1 L 24 L241
28 130.0 50.6 0.3 0.15 1 L 59 L276
29 122.4 51.2 0.3 0.15 1 LDNF 13 D230
30 125.4 52.6 0.3 0.15 1 R 19 R236
31 117.8 57.1 0.3 0.15 1 S 56 S273
32 124.9 54.3 0.3 0.15 1 S 46 S263
33 122.7 54.7 0.3 0.15 1 S 10 S227
34 108.6 55.2 0.3 0.15 1 not AGT 67** K284**
35 120.9 60.4 0.3 0.15 1 T 29 T246
36 127.8 59.2 0.3 0.15 1 T 44 T261
37 124.1 58.9 0.3 0.15 1 T 49 T266
38 119.8 57.5 0.3 0.15 1 T 16 T233
39 123.6 64.2 0.3 0.15 1 T 43 T260
40 126.4 57.9 0.3 0.15 1 V 22 V239
41 130.1 58.3 0.3 0.15 1 V 58 V275
42 128.1 58.7 0.3 0.15 1 V 50 V267
43 126.9 55.1 0.3 0.15 1 V 47 V264
44 113.1 59.1 0.3 0.15 1 V 51 V268
45 128.8 60.0 0.3 0.15 1 V 27 V244
46 116.3 59.0 0.3 0.15 1 V 28 V245
47 113.2 52.2 0.3 0.15 1 EQKR 15 R232
48 122.5 52.5 0.3 0.15 1 EQKR 21 R238
49 122.6 52.9 0.3 0.15 1 EQKR 57 R274
50 110.0 54.0 0.3 0.15 1 Y 64 Y281