============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 2 0.840 -25.195 9.577 39.075 -99.200 -91.000 PHE 20 1.000 -8.542 1.499 40.548 -99.200 -91.000 HIS 24 0.900 -12.675 -0.815 25.831 -99.200 -91.000 TYR 28 0.840 -27.074 5.502 29.470 -99.200 -91.000 PHE 55 1.000 -13.355 1.121 38.296 -99.200 -91.000 PHE 65 1.000 -16.950 17.264 43.256 -99.200 -91.000 HIS 67 0.900 -17.730 24.231 36.572 -99.200 -91.000 HIS 69 0.900 -15.450 24.725 31.171 -99.200 -91.000 TRP 83 1.040 -17.641 -2.242 32.242 -99.200 -91.000 TRP6 83 1.020 -19.079 -2.627 30.402 -99.200 -91.000 PHE 97 1.000 -6.644 20.009 21.822 -99.200 -91.000 TYR 103 0.840 4.931 23.655 15.821 -99.200 -91.000 TYR 113 0.840 -7.664 24.945 25.435 -99.200 -91.000 TYR 115 0.840 -12.589 32.035 32.688 -99.200 -91.000 TYR 123 0.840 -18.942 22.817 41.238 -99.200 -91.000 PHE 129 1.000 -12.612 16.606 45.537 -99.200 -91.000 HIS 131 0.900 -7.939 16.821 41.137 -99.200 -91.000 PHE 152 1.000 -13.079 15.438 39.957 -99.200 -91.000 TRP 160 1.040 2.298 18.503 37.531 -99.200 -91.000 TRP6 160 1.020 3.661 16.734 36.736 -99.200 -91.000 PHE 168 1.000 6.509 20.088 56.929 -99.200 -91.000 PHE 171 1.000 -1.100 15.974 49.050 -99.200 -91.000 TRP 178 1.040 3.453 24.354 43.888 -99.200 -91.000 TRP6 178 1.020 5.121 25.723 44.849 -99.200 -91.000 PHE 180 1.000 -5.226 27.189 37.662 -99.200 -91.000 TRP 185 1.040 6.114 26.436 33.220 -99.200 -91.000 TRP6 185 1.020 7.023 24.394 32.448 -99.200 -91.000 HIS 190 0.900 2.462 25.473 22.812 -99.200 -91.000 PHE 195 1.000 10.688 21.899 38.797 -99.200 -91.000 TYR 224 0.840 6.958 33.308 35.242 -99.200 -91.000 TRP 231 1.040 4.171 27.750 40.771 -99.200 -91.000 TRP6 231 1.020 5.080 28.555 38.740 -99.200 -91.000 TYR 233 0.840 8.885 27.226 51.485 -99.200 -91.000 PHE 241 1.000 -7.935 26.945 42.357 -99.200 -91.000