============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 18 1.040 32.179 22.199 1.153 -99.200 -91.000 TRP6 18 1.020 30.868 20.572 2.245 -99.200 -91.000 PHE 33 1.000 38.016 1.256 5.476 -99.200 -91.000 TYR 43 0.840 31.152 7.091 16.313 -99.200 -91.000 PHE 58 1.000 34.106 13.586 11.705 -99.200 -91.000 PHE 60 1.000 32.520 18.927 8.836 -99.200 -91.000 PHE 74 1.000 25.193 21.094 3.134 -99.200 -91.000 TRP 76 1.040 26.538 11.721 5.694 -99.200 -91.000 TRP6 76 1.020 25.037 13.523 5.983 -99.200 -91.000 PHE 79 1.000 33.316 -0.234 4.875 -99.200 -91.000 TYR 80 0.840 27.645 3.106 10.364 -99.200 -91.000 PHE 84 1.000 29.269 1.605 14.490 -99.200 -91.000 PHE 86 1.000 24.497 0.365 12.735 -99.200 -91.000 HIS 92 0.900 25.200 9.281 9.813 -99.200 -91.000 PHE 96 1.000 21.856 23.036 13.918 -99.200 -91.000 HIS 99 0.900 19.421 34.512 15.556 -99.200 -91.000 TYR 105 0.840 15.031 18.031 27.026 -99.200 -91.000 HIS 107 0.900 12.965 22.563 20.829 -99.200 -91.000 TRP 118 1.040 23.415 5.110 14.771 -99.200 -91.000 TRP6 118 1.020 25.111 6.653 15.303 -99.200 -91.000 TYR 127 0.840 16.449 14.104 16.696 -99.200 -91.000 TYR 129 0.840 16.240 19.527 19.117 -99.200 -91.000 HIS 146 0.900 15.507 14.232 24.287 -99.200 -91.000 PHE 150 1.000 8.529 14.232 11.134 -99.200 -91.000 PHE 151 1.000 11.138 11.076 6.035 -99.200 -91.000 PHE 155 1.000 14.888 6.295 4.540 -99.200 -91.000 TYR 161 0.840 26.684 -4.434 10.608 -99.200 -91.000 TRP 164 1.040 32.867 2.989 0.933 -99.200 -91.000 TRP6 164 1.020 33.514 4.466 2.638 -99.200 -91.000 PHE 176 1.000 9.072 33.299 5.610 -99.200 -91.000 TYR 188 0.840 15.852 15.755 -0.894 -99.200 -91.000 TRP 203 1.040 12.256 23.621 7.012 -99.200 -91.000 TRP6 203 1.020 13.179 22.199 8.672 -99.200 -91.000 PHE 214 1.000 27.002 19.184 6.629 -99.200 -91.000 TRP 216 1.040 30.104 15.160 10.745 -99.200 -91.000 TRP6 216 1.020 28.572 13.868 9.486 -99.200 -91.000 PHE 219 1.000 25.705 13.680 19.244 -99.200 -91.000 PHE 220 1.000 27.335 4.770 19.025 -99.200 -91.000 TYR 233 0.840 37.024 3.308 8.532 -99.200 -91.000 PHE 234 1.000 30.330 9.226 9.454 -99.200 -91.000 PHE 237 1.000 31.508 14.430 5.494 -99.200 -91.000 TYR 242 0.840 14.574 20.267 -1.511 -99.200 -91.000