============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 1 1.000 17.612 20.086 28.357 -99.200 -91.000 TYR 7 0.840 17.517 21.133 16.167 -99.200 -91.000 HIS 10 0.900 21.795 28.432 20.503 -99.200 -91.000 PHE 11 1.000 21.401 21.720 12.346 -99.200 -91.000 TYR 16 0.840 24.084 17.899 10.197 -99.200 -91.000 TYR 20 0.840 27.256 15.057 12.233 -99.200 -91.000 TYR 21 0.840 25.735 14.354 6.152 -99.200 -91.000 PHE 23 1.000 32.181 10.041 1.258 -99.200 -91.000 HIS 27 0.900 35.509 15.751 10.399 -99.200 -91.000 HIS 36 0.900 26.239 -0.168 6.638 -99.200 -91.000 PHE 42 1.000 22.251 0.821 -5.797 -99.200 -91.000 PHE 45 1.000 14.327 6.089 -1.559 -99.200 -91.000 TYR 65 0.840 22.513 11.686 3.780 -99.200 -91.000 PHE 74 1.000 9.476 7.759 -4.725 -99.200 -91.000 TYR 82 0.840 10.899 24.576 13.856 -99.200 -91.000 TRP 88 1.040 17.287 31.131 4.383 -99.200 -91.000 TRP6 88 1.020 18.068 32.226 6.336 -99.200 -91.000 TRP 93 1.040 23.991 21.130 -4.394 -99.200 -91.000 TRP6 93 1.020 22.344 19.723 -5.354 -99.200 -91.000 PHE 101 1.000 29.243 20.261 1.959 -99.200 -91.000 TRP 103 1.040 25.742 18.430 -1.153 -99.200 -91.000 TRP6 103 1.020 25.649 16.954 0.685 -99.200 -91.000 TYR 109 0.840 30.358 5.438 -1.563 -99.200 -91.000 TYR 172 0.840 10.282 7.608 16.902 -99.200 -91.000 PHE 188 1.000 6.440 1.685 -1.140 -99.200 -91.000 TYR 199 0.840 26.450 13.043 23.348 -99.200 -91.000 TYR 200 0.840 22.369 16.136 16.403 -99.200 -91.000 PHE 207 1.000 21.761 21.342 17.835 -99.200 -91.000 TRP 214 1.040 17.222 -4.582 17.179 -99.200 -91.000 TRP6 214 1.020 15.507 -6.120 16.590 -99.200 -91.000 TYR 226 0.840 3.557 5.012 8.948 -99.200 -91.000 PHE 231 1.000 14.412 -2.120 11.919 -99.200 -91.000 TYR 238 0.840 26.714 9.591 13.460 -99.200 -91.000 PHE 249 1.000 15.668 3.525 12.729 -99.200 -91.000