============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 7 0.900 106.054 90.711 79.973 -99.200 -91.000 PHE 24 1.000 115.333 97.430 61.282 -99.200 -91.000 TYR 29 0.840 116.699 91.761 49.588 -99.200 -91.000 PHE 57 1.000 106.811 93.290 49.860 -99.200 -91.000 TYR 68 0.840 101.397 103.217 62.528 -99.200 -91.000 TYR 81 0.840 116.338 101.602 59.053 -99.200 -91.000 HIS 101 0.900 91.892 102.444 60.798 -99.200 -91.000 TYR 127 0.840 96.146 89.683 74.047 -99.200 -91.000 TYR 134 0.840 93.918 79.305 83.973 -99.200 -91.000 PHE 144 1.000 88.888 83.185 66.381 -99.200 -91.000 PHE 149 1.000 85.705 87.891 63.185 -99.200 -91.000 TYR 151 0.840 95.375 88.461 58.349 -99.200 -91.000 PHE 152 1.000 87.044 86.187 56.137 -99.200 -91.000 HIS 153 0.900 85.415 93.094 58.394 -99.200 -91.000 HIS 161 0.900 90.191 100.573 45.450 -99.200 -91.000 TYR 177 0.840 100.551 74.918 57.980 -99.200 -91.000 TYR 186 0.840 99.197 83.595 67.266 -99.200 -91.000 PHE 196 1.000 90.845 85.540 53.932 -99.200 -91.000 TRP 220 1.040 114.856 89.364 69.274 -99.200 -91.000 TRP6 220 1.020 113.913 88.761 71.357 -99.200 -91.000 PHE 228 1.000 105.204 83.382 73.776 -99.200 -91.000 PHE 236 1.000 110.580 83.516 70.054 -99.200 -91.000 TYR 249 0.840 118.686 88.781 58.204 -99.200 -91.000 TYR 255 0.840 105.833 88.018 54.414 -99.200 -91.000 TYR 257 0.840 108.664 82.341 45.160 -99.200 -91.000 TYR 265 0.840 101.693 76.951 36.862 -99.200 -91.000 HIS 272 0.900 104.678 75.660 56.007 -99.200 -91.000