============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 23 1.040 12.992 -36.663 -9.140 -99.200 -91.000 TRP6 23 1.020 14.965 -37.656 -8.286 -99.200 -91.000 TRP 25 1.040 10.856 -42.292 -6.038 -99.200 -91.000 TRP6 25 1.020 12.719 -42.999 -7.309 -99.200 -91.000 PHE 35 1.000 -6.358 -28.501 -2.127 -99.200 -91.000 HIS 36 0.900 0.066 -32.406 -3.857 -99.200 -91.000 PHE 37 1.000 -4.482 -35.521 0.966 -99.200 -91.000 TRP 47 1.040 1.207 -52.852 -0.230 -99.200 -91.000 TRP6 47 1.020 0.134 -52.576 1.859 -99.200 -91.000 HIS 53 0.900 2.413 -34.642 8.348 -99.200 -91.000 PHE 67 1.000 7.064 -31.832 -15.301 -99.200 -91.000 PHE 85 1.000 -3.083 -51.827 6.046 -99.200 -91.000 TYR 90 0.840 1.261 -39.089 13.755 -99.200 -91.000 PHE 110 1.000 5.683 -50.081 -10.244 -99.200 -91.000 PHE 126 1.000 20.802 -44.648 3.634 -99.200 -91.000 TRP 137 1.040 3.633 -31.581 -8.318 -99.200 -91.000 TRP6 137 1.020 3.605 -33.940 -8.134 -99.200 -91.000 TYR 142 0.840 5.113 -18.989 5.422 -99.200 -91.000 TYR 165 0.840 15.949 -23.740 14.562 -99.200 -91.000 TRP 166 1.040 14.192 -28.300 14.151 -99.200 -91.000 TRP6 166 1.020 12.335 -26.834 14.228 -99.200 -91.000 TRP 201 1.040 18.030 -41.902 -7.386 -99.200 -91.000 TRP6 201 1.020 19.104 -40.132 -6.238 -99.200 -91.000 TRP 209 1.040 8.606 -32.451 12.693 -99.200 -91.000 TRP6 209 1.020 9.904 -30.946 13.983 -99.200 -91.000 TYR 222 0.840 13.141 -34.297 5.128 -99.200 -91.000 TRP 231 1.040 4.139 -50.222 11.156 -99.200 -91.000 TRP6 231 1.020 3.590 -48.819 9.333 -99.200 -91.000