#Mean chemical shifts for FullMonte
index,1-, 3-letter code, ca(c,s,h), cb(c,s,h), cg,  co(c,s,h),           n(c,s,h)
 1A ALA 52.42 51.15 54.77  19.03 21.02 18.40  -1.0  177.30 175.90 179.37  122.2 122.6 122.6 
 2V VAL 62.13 61.01 66.16  32.65 34.19 31.41  21.5  175.79 174.50 177.73  122.3 121.4 119.7
 3L LEU 54.82 54.01 57.52  42.82 43.88 41.41  26.5  177.15 175.76 178.64  122.2 123.1 120.2
 4T THR 61.62 61.18 65.85  69.83 70.70 68.29  21.5  174.75 173.71 176.35  113.2 114.4 115.1
 5S SER 58.27 57.11 61.31  64.14 65.08 62.98  -1.0  174.41 173.60 175.69  116.5 118.7 114.8 
 6I ILE 60.98 60.09 64.61  38.87 40.47 37.75  26.8  175.69 174.79 177.52  123.0 125.7 120.8
 7G GLY 45.41 44.97 46.71  -1.00 -1.00 -1.00  -1.0  173.96 171.87 175.35  109.2 109.7 107.9
 8R ARG 56.25 54.73 59.18  30.56 32.54 30.02  27.5  176.05 174.85 178.68  119.5 123.0 119.8
 9N ASN 53.22 52.47 55.62  38.74 39.78 38.46  -1.0  174.65 174.55 176.73  119.1 121.5 118.0
10E GLU 56.66 54.96 59.06  30.13 31.93 29.30  35.5  176.27 175.28 178.73  121.3 122.9 119.7 
11Q GLN 55.78 54.77 58.87  29.34 31.57 28.46  33.5  175.54 174.54 178.35  120.7 121.7 118.5
12D ASP 54.12 53.50 57.11  40.83 42.38 40.25  -1.0  176.45 175.40 178.44  120.0 122.6 119.2 
13W TRP 57.50 56.49 59.51  29.09 30.89 29.26  -1.0  175.85 174.78 178.14  121.7 120.5 118.0
14Y TYR 57.77 56.57 60.82  38.88 41.19 38.57  -1.0  175.80 174.22 177.09  122.1 122.1 121.7 
15F PHE 57.91 56.34 60.75  39.34 41.45 38.95  -1.0  174.79 174.43 177.04  120.3 122.5 120.0 
16K LYS 56.59 55.23 59.03  32.62 34.75 32.19  25.0  176.39 175.07 178.51  121.5 122.5 120.4
17C CYS 58.01 56.08 61.62  28.80 28.80 28.80  -1.0  174.84 174.18 176.68  117.9 118.5 117.6
18M MET 55.34 54.53 58.34  33.00 35.13 32.87  32.0  175.45 175.53 178.04  124.1 123.2 114.1
19H HIS 55.78 54.46 58.71  29.78 32.13 29.63  -1.0  174.54 174.34 176.88  119.6 121.1 116.6
20P PRO 63.27 62.71 65.28  32.09 32.03 30.90  27.5  176.60 175.56 179.45    0.0   0.0   0.0
