============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 2 1.000 100.206 55.173 -0.285 -99.200 -91.000 PHE 14 1.000 97.355 61.442 29.844 -99.200 -91.000 HIS 24 0.900 90.530 51.074 4.096 -99.200 -91.000 TYR 38 0.840 80.281 30.783 15.519 -99.200 -91.000 TYR 56 0.840 73.291 7.253 20.780 -99.200 -91.000 PHE 70 1.000 76.168 11.634 21.172 -99.200 -91.000 TRP 80 1.040 79.888 24.849 14.601 -99.200 -91.000 TRP6 80 1.020 79.630 24.069 16.819 -99.200 -91.000 TYR 89 0.840 86.002 14.382 7.031 -99.200 -91.000 HIS 91 0.900 79.772 8.807 13.493 -99.200 -91.000 TYR 102 0.840 92.021 11.191 9.081 -99.200 -91.000 TYR 104 0.840 84.291 7.621 16.635 -99.200 -91.000 TRP 121 1.040 94.188 26.813 28.564 -99.200 -91.000 TRP6 121 1.020 96.047 27.908 29.546 -99.200 -91.000 HIS 124 0.900 93.671 34.343 24.905 -99.200 -91.000 TYR 133 0.840 82.236 28.846 11.626 -99.200 -91.000 HIS 136 0.900 88.373 21.847 12.429 -99.200 -91.000 TYR 144 0.840 93.971 32.070 8.020 -99.200 -91.000 TYR 147 0.840 101.842 21.643 7.882 -99.200 -91.000 HIS 162 0.900 108.531 25.865 -8.382 -99.200 -91.000 TYR 172 0.840 113.496 29.839 5.366 -99.200 -91.000 TYR 179 0.840 103.997 32.729 11.340 -99.200 -91.000 TYR 182 0.840 104.163 41.371 2.974 -99.200 -91.000 TYR 187 0.840 116.274 35.753 14.452 -99.200 -91.000 PHE 190 1.000 103.887 27.020 15.283 -99.200 -91.000 PHE 193 1.000 109.955 33.434 20.934 -99.200 -91.000 TYR 227 0.840 118.349 41.083 14.951 -99.200 -91.000 PHE 230 1.000 110.469 44.483 15.516 -99.200 -91.000 PHE 246 1.000 94.082 45.393 20.932 -99.200 -91.000 HIS 248 0.900 104.139 45.487 24.520 -99.200 -91.000 PHE 253 1.000 108.041 48.264 22.501 -99.200 -91.000 TRP 256 1.040 103.941 43.177 32.156 -99.200 -91.000 TRP6 256 1.020 102.148 42.124 31.001 -99.200 -91.000 TRP 268 1.040 102.375 36.289 30.318 -99.200 -91.000 TRP6 268 1.020 101.639 34.691 31.877 -99.200 -91.000 TRP 269 1.040 96.306 35.002 31.620 -99.200 -91.000 TRP6 269 1.020 96.868 33.202 33.047 -99.200 -91.000 TYR 281 0.840 94.396 19.165 24.724 -99.200 -91.000 HIS 309 0.900 92.522 36.284 18.591 -99.200 -91.000 PHE 317 1.000 84.944 41.299 13.339 -99.200 -91.000 TYR 325 0.840 75.595 24.249 19.975 -99.200 -91.000