============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 35 1.040 13.031 72.099 42.258 -99.200 -91.000 TRP6 35 1.020 14.005 70.773 43.943 -99.200 -91.000 TYR 36 0.840 5.014 70.131 41.117 -99.200 -91.000 TYR 49 0.840 7.569 77.689 34.605 -99.200 -91.000 TYR 50 0.840 9.714 74.252 30.657 -99.200 -91.000 PHE 62 1.000 10.106 79.616 48.016 -99.200 -91.000 TYR 86 0.840 10.053 73.319 50.301 -99.200 -91.000 TYR 87 0.840 7.394 65.228 47.954 -99.200 -91.000 TRP 91 1.040 9.475 61.893 30.006 -99.200 -91.000 TRP6 91 1.020 7.355 61.012 30.590 -99.200 -91.000 PHE 100 1.000 6.241 63.361 41.596 -99.200 -91.000 PHE 121 1.000 -9.546 62.983 82.072 -99.200 -91.000 PHE 142 1.000 3.850 66.993 72.306 -99.200 -91.000 TYR 143 0.840 8.672 73.555 67.797 -99.200 -91.000 TRP 151 1.040 1.112 54.239 79.574 -99.200 -91.000 TRP6 151 1.020 -0.851 55.192 80.474 -99.200 -91.000 TYR 175 0.840 4.294 69.220 66.277 -99.200 -91.000 TYR 180 0.840 -6.599 56.530 74.050 -99.200 -91.000 TRP 188 1.040 -9.194 51.029 87.997 -99.200 -91.000 TRP6 188 1.020 -7.509 52.692 88.018 -99.200 -91.000 HIS 191 0.900 -1.301 46.434 89.767 -99.200 -91.000 TYR 194 0.840 -2.102 50.422 86.494 -99.200 -91.000 HIS 200 0.900 9.386 68.269 74.583 -99.200 -91.000