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. Author manuscript; available in PMC: 2012 Apr 1.
Published in final edited form as: J Magn Reson. 2011 Jan 21;209(2):195–206. doi: 10.1016/j.jmr.2011.01.008

Table 1.

Summary of data for the assignment and isotropic chemical shift calculations of uniformly 15N-labeled Pf1 coat protein. The solution NMR data are aligned with the solid-state NMR data according to the final assignments described in the text

Solid-state NMR Solution NMR
Pea
k
ID		 Parallel Bicelle Perpendicular
Bicelle		 Srel Isotropic
value		 Residu
e
numbe
r		 Isotropic
value
DC 15N 1H DC 15N 1H 15N 1H 15N 1H
1 734
9		 190.6
5		 6.9
9		 392
1		 94.95 12.6
4		 0.93
7		 124.2
7		 8.5
4		 38 124.2
8		 8.4
9
2 689
4		 165.2
3		 6.6
5		 364
3		 98.03 11.3
8		 0.94
6		 117.2
9		 7.6
1		 42 119.2
2		 7.7
4
3 680
3		 174.5
8		 7.0
7		 361
2		 93.55 12.0
5		 0.94
2		 117.6
8		 8.1
9		 27 117.9
4		 8.1
9
4 677
1		 155.8
6		 7.2
0		 358
4		 102.5
9		 12.1
3		 0.94
5		 117.0
6		 8.2
9		 31 117.8
0		 8.2
5
5 648
4		 194.9
2		 6.6
0		 347
5		 87.61 12.5
6		 0.93
3		 121.0
8		 8.3
5		 34 120.4
8		 8.4
1
6 589
3		 148.3
3		 7.0
6		 316
9		 104.7
6		 12.0
5		 0.93
0		 116.0
2		 8.1
7		 35 116.8
6		 8.3
9
7 543
4		 193.2
3		 6.7
0		 294
0		 76.24 12.0
5		 0.92
4		 113.3
4		 8.0
4		 41 112.5
5		 8.1
7
8 519
7		 154.6
6		 8.0
1		 276
0		 105.3
6		 11.9
1		 0.94
1		 118.4
9		 8.4
3		 39 119.3
6		 8.4
7
9 499
7		 190.5
2		 6.5
2		 272
7		 83.58 12.2
9		 0.91
6		 117.3
6		 8.1
2		 30 116.4
5		 8.0
8
10 502
0		 125.4
3		 6.5
2		 268
3		 99.29 12.3
5		 0.93
6		 104.4
3		 8.1
9		 28 105.3
8		 8.4
0
11 497
0		 130.8
7		 6.7
3		 268
3		 99.29 12.3
5		 0.92
6		 106.3
9		 8.2
5		 24 107.8
0		 8.3
1
12 409
6		 185.0
4		 7.2
3		 226
0		 68.71 13.0
9		 0.90
6		 106.1
0		 8.8
7		 37 104.6
9		 8.7
9
13 397
9		 192.3
9		 6.3
6		 214
8		 84.83 12.0
2		 0.92
6		 118.5
7		 7.9
1		 26 117.6
8		 7.8
8
14 397
7		 165.0
5		 7.8
6		 214
8		 84.83 11.9
7		 0.92
6		 108.9
9		 8.4
0		 23 107.9
3		 8.3
8
15 359
5		 184.2
9		 8.1
4		 197
5		 90.75 12.4
3		 0.91
0		 119.9
5		 8.7
8		 40 119.3
4		 8.7
3
16 338
3		 152.7
6		 9.3
0		 187
6		 105.1
7		 10.7
5		 0.90
2		 118.1
8		 8.1
0		 32 118.5
1		 8.0
0
17 322
5		 170.3
4		 8.8
5		 178
4		 100.9
9		 12.1
6		 0.90
4		 121.7
2		 8.8
5		 36 121.6
1		 8.7
3
18 293
5		 189.1
0		 7.0
7		 164
1		 88.21 12.4
0		 0.89
4		 120.4
2		 8.3
6		 33 119.1
3		 8.3
1
19 221
4		 135.5
0		 9.9
8		 125
2		 111.5
9		 9.88 0.88
4		 116.2
5		 7.7
8		 43 117.8
8		 7.7
8
20 207
5		 172.7
1		 8.3
0		 118
0		 100.7
0		 11.5
7		 0.87
9		 122.8
3		 8.2
5		 29 122.0
5		 8.2
6
21 135
0		 154.0
6		 9.9
5		 758 105.7
3		 10.2
3		 0.89
1		 119.1
4		 8.0
0		 25 118.5
7		 7.8
4