============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 2 0.900 -12.265 0.775 28.421 -99.200 -91.000 HIS 4 0.900 -11.257 -0.627 35.472 -99.200 -91.000 HIS 20 0.900 13.098 -11.786 39.111 -99.200 -91.000 PHE 57 1.000 15.613 -31.440 68.669 -99.200 -91.000 TYR 58 0.840 11.949 -32.995 60.763 -99.200 -91.000 PHE 79 1.000 0.259 -26.383 59.560 -99.200 -91.000 HIS 80 0.900 -1.146 -19.929 61.793 -99.200 -91.000 TYR 84 0.840 2.397 -16.613 63.784 -99.200 -91.000 PHE 93 1.000 11.673 -22.685 64.692 -99.200 -91.000 TYR 137 0.840 -0.369 -16.665 57.588 -99.200 -91.000 PHE 144 1.000 8.226 -18.493 49.828 -99.200 -91.000 TRP 147 1.040 -4.755 -23.008 46.697 -99.200 -91.000 TRP6 147 1.020 -6.327 -21.897 48.070 -99.200 -91.000 HIS 156 0.900 -14.195 -42.306 32.351 -99.200 -91.000 TYR 173 0.840 -2.208 -19.129 46.401 -99.200 -91.000 HIS 196 0.900 -0.104 -41.621 34.601 -99.200 -91.000 TYR 203 0.840 -3.491 -34.477 25.381 -99.200 -91.000 TYR 213 0.840 1.205 -20.107 33.801 -99.200 -91.000 HIS 219 0.900 -9.763 -15.222 38.591 -99.200 -91.000 HIS 220 0.900 -7.958 -8.500 35.304 -99.200 -91.000 TYR 222 0.840 4.201 -8.104 38.280 -99.200 -91.000 HIS 237 0.900 4.828 -43.123 41.811 -99.200 -91.000 TYR 243 0.840 8.812 -43.538 29.466 -99.200 -91.000 HIS 245 0.900 17.275 -40.386 36.009 -99.200 -91.000 PHE 269 1.000 10.487 -28.770 37.404 -99.200 -91.000 TRP 295 1.040 9.649 -20.126 32.114 -99.200 -91.000 TRP6 295 1.020 10.136 -22.203 31.089 -99.200 -91.000 PHE 299 1.000 16.364 -27.006 45.746 -99.200 -91.000 TYR 301 0.840 13.220 -31.427 44.755 -99.200 -91.000 TRP 313 1.040 15.269 -35.934 65.401 -99.200 -91.000 TRP6 313 1.020 12.952 -35.552 65.098 -99.200 -91.000 TYR 327 0.840 18.116 -29.037 55.092 -99.200 -91.000 TYR 342 0.840 23.599 -34.768 42.542 -99.200 -91.000 HIS 348 0.900 11.315 -31.850 15.573 -99.200 -91.000 TYR 350 0.840 10.318 -36.284 24.351 -99.200 -91.000