============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 8.428 -39.938 39.652 -99.200 -91.000 TRP6 14 1.020 6.730 -41.284 38.688 -99.200 -91.000 PHE 19 1.000 24.074 -39.782 49.524 -99.200 -91.000 TRP 37 1.040 19.124 -35.512 29.651 -99.200 -91.000 TRP6 37 1.020 20.652 -33.736 29.980 -99.200 -91.000 HIS 43 0.900 17.528 -24.765 46.496 -99.200 -91.000 TYR 47 0.840 23.682 -20.575 50.433 -99.200 -91.000 TRP 49 1.040 33.550 -18.640 50.120 -99.200 -91.000 TRP6 49 1.020 32.672 -16.861 51.410 -99.200 -91.000 PHE 53 1.000 28.436 -29.739 45.556 -99.200 -91.000 HIS 65 0.900 10.448 -48.195 50.982 -99.200 -91.000 TYR 70 0.840 24.206 -50.985 47.702 -99.200 -91.000 TYR 84 0.840 24.139 -28.969 30.198 -99.200 -91.000 HIS 86 0.900 17.056 -20.518 34.013 -99.200 -91.000 TYR 89 0.840 19.109 -20.212 41.809 -99.200 -91.000 TRP 91 1.040 22.993 -17.915 45.771 -99.200 -91.000 TRP6 91 1.020 24.201 -16.798 47.475 -99.200 -91.000 TYR 113 0.840 12.022 -52.602 42.939 -99.200 -91.000 HIS 115 0.900 8.617 -46.215 33.831 -99.200 -91.000 HIS 129 0.900 -7.879 -25.307 36.386 -99.200 -91.000 PHE 132 1.000 -8.579 -29.486 39.565 -99.200 -91.000 TRP 139 1.040 14.369 -41.297 51.318 -99.200 -91.000 TRP6 139 1.020 14.689 -41.221 48.976 -99.200 -91.000 TRP 146 1.040 17.155 -30.718 65.282 -99.200 -91.000 TRP6 146 1.020 16.844 -29.899 63.085 -99.200 -91.000 PHE 183 1.000 3.749 -25.332 41.486 -99.200 -91.000 TYR 187 0.840 -4.310 -30.000 52.949 -99.200 -91.000 PHE 206 1.000 2.713 -30.150 43.579 -99.200 -91.000 TYR 212 0.840 -8.433 -34.391 31.615 -99.200 -91.000 TRP 216 1.040 1.587 -41.124 38.819 -99.200 -91.000 TRP6 216 1.020 0.887 -39.875 40.697 -99.200 -91.000 TYR 217 0.840 1.509 -35.697 32.205 -99.200 -91.000 TRP 224 1.040 11.018 -20.131 47.665 -99.200 -91.000 TRP6 224 1.020 9.641 -18.641 48.888 -99.200 -91.000 TYR 234 0.840 -0.441 -21.064 51.827 -99.200 -91.000 PHE 236 1.000 5.701 -19.387 47.810 -99.200 -91.000 TYR 237 0.840 6.049 -27.469 46.231 -99.200 -91.000 HIS 239 0.900 4.139 -23.168 36.424 -99.200 -91.000 PHE 241 1.000 3.586 -25.521 29.975 -99.200 -91.000 TRP 246 1.040 17.286 -23.360 30.411 -99.200 -91.000 TRP6 246 1.020 17.742 -24.942 32.111 -99.200 -91.000