============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 14 1.040 -15.386 24.759 45.039 -99.200 -91.000 TRP6 14 1.020 -16.902 26.549 45.327 -99.200 -91.000 PHE 19 1.000 -7.897 7.616 51.196 -99.200 -91.000 TRP 37 1.040 -20.882 14.239 34.812 -99.200 -91.000 TRP6 37 1.020 -19.527 12.782 33.537 -99.200 -91.000 HIS 43 0.900 -0.682 15.359 37.337 -99.200 -91.000 TYR 47 0.840 3.641 11.311 34.540 -99.200 -91.000 TRP 49 1.040 6.812 9.454 37.901 -99.200 -91.000 TRP6 49 1.020 6.170 11.147 39.387 -99.200 -91.000 PHE 53 1.000 -3.701 4.777 40.834 -99.200 -91.000 HIS 65 0.900 -11.504 22.210 58.100 -99.200 -91.000 TYR 70 0.840 -16.265 7.723 57.754 -99.200 -91.000 TYR 84 0.840 -16.623 9.433 30.408 -99.200 -91.000 HIS 86 0.900 -8.529 16.481 25.431 -99.200 -91.000 TYR 89 0.840 -2.371 12.942 30.316 -99.200 -91.000 TRP 91 1.040 1.651 9.821 28.607 -99.200 -91.000 TRP6 91 1.020 3.753 8.774 28.396 -99.200 -91.000 TYR 113 0.840 -20.331 21.491 56.658 -99.200 -91.000 HIS 115 0.900 -23.801 24.872 45.907 -99.200 -91.000 HIS 129 0.900 -8.372 41.045 31.848 -99.200 -91.000 PHE 132 1.000 -8.190 41.651 37.184 -99.200 -91.000 TRP 139 1.040 -6.976 18.076 52.980 -99.200 -91.000 TRP6 139 1.020 -8.745 17.877 51.437 -99.200 -91.000 TRP 146 1.040 17.052 17.182 51.246 -99.200 -91.000 TRP6 146 1.020 17.781 14.990 50.821 -99.200 -91.000