============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TRP 17 1.040 23.582 18.504 45.183 -99.200 -91.000 TRP6 17 1.020 23.683 18.230 47.523 -99.200 -91.000 HIS 20 0.900 14.959 12.606 38.178 -99.200 -91.000 PHE 22 1.000 9.674 18.244 44.912 -99.200 -91.000 HIS 38 0.900 14.319 -0.968 53.059 -99.200 -91.000 PHE 41 1.000 18.961 3.645 58.443 -99.200 -91.000 PHE 50 1.000 25.193 1.243 64.030 -99.200 -91.000 TYR 60 0.840 11.605 5.923 64.005 -99.200 -91.000 HIS 67 0.900 3.459 10.574 64.490 -99.200 -91.000 TYR 68 0.840 8.787 14.958 58.804 -99.200 -91.000 HIS 69 0.900 1.470 18.576 60.976 -99.200 -91.000 TYR 74 0.840 10.856 23.792 52.358 -99.200 -91.000 HIS 75 0.900 9.636 23.973 57.041 -99.200 -91.000 HIS 79 0.900 13.024 20.340 54.445 -99.200 -91.000 HIS 88 0.900 23.682 8.139 50.957 -99.200 -91.000 PHE 100 1.000 32.082 13.197 60.238 -99.200 -91.000 PHE 110 1.000 16.622 8.822 64.807 -99.200 -91.000 HIS 115 0.900 15.307 18.531 58.962 -99.200 -91.000 HIS 119 0.900 7.711 23.479 60.601 -99.200 -91.000 PHE 126 1.000 1.502 31.981 63.714 -99.200 -91.000 TYR 138 0.840 9.911 22.100 73.716 -99.200 -91.000 HIS 147 0.900 6.473 19.114 68.868 -99.200 -91.000 HIS 148 0.900 10.555 20.143 64.129 -99.200 -91.000 PHE 153 1.000 16.268 11.227 70.153 -99.200 -91.000 PHE 164 1.000 18.431 4.745 66.831 -99.200 -91.000 HIS 191 0.900 23.579 30.878 58.236 -99.200 -91.000 TYR 218 0.840 30.312 15.545 70.561 -99.200 -91.000 HIS 230 0.900 22.523 25.931 58.760 -99.200 -91.000 TYR 244 0.840 16.512 27.805 43.945 -99.200 -91.000 TRP 247 1.040 13.190 21.438 46.974 -99.200 -91.000 TRP6 247 1.020 11.840 20.129 48.400 -99.200 -91.000 PHE 255 1.000 8.876 31.358 54.498 -99.200 -91.000 PHE 256 1.000 3.273 34.217 49.223 -99.200 -91.000 HIS 276 0.900 -3.250 40.088 49.085 -99.200 -91.000 PHE 287 1.000 17.411 30.978 51.352 -99.200 -91.000 TYR 290 0.840 22.733 40.179 51.745 -99.200 -91.000 HIS 293 0.900 28.378 32.070 46.751 -99.200 -91.000 TRP 296 1.040 25.284 25.039 50.211 -99.200 -91.000 TRP6 296 1.020 25.928 22.780 50.107 -99.200 -91.000 TRP 299 1.040 30.208 21.265 52.670 -99.200 -91.000 TRP6 299 1.020 30.199 20.216 54.785 -99.200 -91.000 HIS 304 0.900 39.717 23.576 46.407 -99.200 -91.000 TRP 320 1.040 16.261 30.718 35.000 -99.200 -91.000 TRP6 320 1.020 14.371 30.656 36.412 -99.200 -91.000 TYR 321 0.840 14.658 31.610 41.422 -99.200 -91.000