============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TRP 14 1.040 32.650 60.657 20.378 -99.200 -91.000 TRP6 14 1.020 31.367 58.665 20.467 -99.200 -91.000 HIS 42 0.900 46.010 47.667 9.852 -99.200 -91.000 TRP 45 1.040 45.290 57.445 13.284 -99.200 -91.000 TRP6 45 1.020 43.669 56.306 14.584 -99.200 -91.000 HIS 53 0.900 31.617 63.648 3.953 -99.200 -91.000 HIS 59 0.900 35.188 46.000 11.875 -99.200 -91.000 TRP 90 1.040 22.975 36.664 3.438 -99.200 -91.000 TRP6 90 1.020 24.568 34.923 3.550 -99.200 -91.000 TYR 99 0.840 34.420 32.572 -3.081 -99.200 -91.000 HIS 102 0.900 35.121 38.777 -1.291 -99.200 -91.000 TRP 110 1.040 34.484 45.274 6.876 -99.200 -91.000 TRP6 110 1.020 36.760 45.793 6.426 -99.200 -91.000 PHE 112 1.000 27.292 46.846 10.669 -99.200 -91.000 PHE 115 1.000 30.425 49.035 1.500 -99.200 -91.000 PHE 120 1.000 33.454 51.270 17.607 -99.200 -91.000 PHE 124 1.000 24.579 48.462 15.391 -99.200 -91.000 HIS 125 0.900 20.143 49.761 7.447 -99.200 -91.000 PHE 156 1.000 37.198 29.060 15.672 -99.200 -91.000 HIS 157 0.900 37.233 32.231 5.725 -99.200 -91.000 HIS 188 0.900 37.814 24.333 18.970 -99.200 -91.000 PHE 195 1.000 56.197 24.194 15.126 -99.200 -91.000 HIS 202 0.900 47.766 37.707 29.258 -99.200 -91.000 TYR 210 0.840 41.978 30.694 23.206 -99.200 -91.000 TYR 218 0.840 61.107 39.616 17.308 -99.200 -91.000 HIS 247 0.900 58.477 42.945 3.012 -99.200 -91.000 PHE 249 1.000 50.574 37.007 2.330 -99.200 -91.000 TYR 267 0.840 42.533 46.576 6.355 -99.200 -91.000 TRP 281 1.040 54.152 29.658 -4.692 -99.200 -91.000 TRP6 281 1.020 53.043 30.071 -6.749 -99.200 -91.000 HIS 287 0.900 50.503 20.986 -7.294 -99.200 -91.000 HIS 289 0.900 47.122 24.433 -3.800 -99.200 -91.000 HIS 291 0.900 43.842 28.738 -0.396 -99.200 -91.000 HIS 322 0.900 43.457 46.924 28.346 -99.200 -91.000 PHE 324 1.000 38.281 51.339 28.139 -99.200 -91.000 HIS 352 0.900 25.071 47.820 31.715 -99.200 -91.000 TYR 353 0.840 21.177 51.251 25.569 -99.200 -91.000 HIS 360 0.900 6.560 46.041 25.448 -99.200 -91.000