============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 5 1.000 -23.210 13.454 -9.608 -99.200 -91.000 TYR 6 0.840 -20.269 17.454 -9.764 -99.200 -91.000 TRP 8 1.040 -26.529 11.180 -15.803 -99.200 -91.000 TRP6 8 1.020 -27.283 11.248 -13.559 -99.200 -91.000 PHE 12 1.000 -32.295 11.642 -14.149 -99.200 -91.000 PHE 19 1.000 -42.010 11.008 -19.512 -99.200 -91.000 TRP 26 1.040 -51.893 12.447 -15.468 -99.200 -91.000 TRP6 26 1.020 -53.349 10.911 -14.402 -99.200 -91.000 TYR 34 0.840 -61.433 11.911 -13.540 -99.200 -91.000 HIS 44 0.900 -68.930 4.805 2.611 -99.200 -91.000 HIS 60 0.900 -46.946 -2.025 3.095 -99.200 -91.000 TRP 61 1.040 -45.016 5.004 -1.562 -99.200 -91.000 TRP6 61 1.020 -45.991 6.953 -2.505 -99.200 -91.000 PHE 62 1.000 -51.511 7.274 -2.574 -99.200 -91.000 TYR 65 0.840 -49.599 12.139 0.319 -99.200 -91.000 PHE 86 1.000 -59.079 -4.570 5.440 -99.200 -91.000 PHE 91 1.000 -61.397 -6.653 12.550 -99.200 -91.000 TYR 92 0.840 -54.418 -7.386 4.282 -99.200 -91.000 TYR 108 0.840 -64.432 -1.366 10.887 -99.200 -91.000 PHE 113 1.000 -63.436 -3.845 2.552 -99.200 -91.000 TRP 114 1.040 -58.667 4.804 -1.425 -99.200 -91.000 TRP6 114 1.020 -58.610 6.980 -0.478 -99.200 -91.000 HIS 115 0.900 -55.668 -2.951 -2.473 -99.200 -91.000 PHE 135 1.000 -61.812 6.565 -4.344 -99.200 -91.000 TRP 137 1.040 -57.854 5.131 -5.993 -99.200 -91.000 TRP6 137 1.020 -56.423 6.971 -5.529 -99.200 -91.000 PHE 139 1.000 -50.690 -1.036 -10.160 -99.200 -91.000 HIS 152 0.900 -44.477 -2.893 -14.364 -99.200 -91.000 TYR 158 0.840 -43.179 12.501 -10.145 -99.200 -91.000 PHE 164 1.000 -54.926 12.339 -0.127 -99.200 -91.000 PHE 167 1.000 -61.250 11.188 -1.495 -99.200 -91.000 PHE 172 1.000 -61.642 18.300 4.152 -99.200 -91.000 TYR 176 0.840 -64.476 22.696 5.053 -99.200 -91.000