============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 3 0.840 13.128 78.174 -33.630 -99.200 -91.000 TYR 7 0.840 29.340 74.300 -34.360 -99.200 -91.000 PHE 8 1.000 33.809 76.654 -32.194 -99.200 -91.000 TYR 19 0.840 22.219 70.079 -44.756 -99.200 -91.000 PHE 21 1.000 16.300 76.299 -36.952 -99.200 -91.000 TYR 23 0.840 12.189 69.184 -45.894 -99.200 -91.000 TYR 28 0.840 19.034 79.307 -39.035 -99.200 -91.000 HIS 31 0.900 26.677 85.124 -32.755 -99.200 -91.000 TRP 38 1.040 35.247 77.388 -27.247 -99.200 -91.000 TRP6 38 1.020 32.914 77.333 -26.874 -99.200 -91.000 PHE 47 1.000 25.264 70.010 -18.586 -99.200 -91.000 HIS 61 0.900 22.867 70.689 -23.266 -99.200 -91.000 TYR 69 0.840 11.497 71.252 -29.362 -99.200 -91.000 HIS 86 0.900 13.752 50.526 -37.984 -99.200 -91.000 PHE 97 1.000 33.351 56.531 -39.147 -99.200 -91.000 TYR 104 0.840 42.838 49.775 -38.595 -99.200 -91.000 HIS 108 0.900 35.744 47.000 -42.083 -99.200 -91.000 TYR 116 0.840 19.521 50.510 -42.990 -99.200 -91.000 TRP 122 1.040 13.601 59.130 -49.900 -99.200 -91.000 TRP6 122 1.020 14.913 61.046 -50.370 -99.200 -91.000 TRP 130 1.040 15.809 63.551 -37.669 -99.200 -91.000 TRP6 130 1.020 17.682 63.522 -36.216 -99.200 -91.000 PHE 133 1.000 17.209 67.187 -44.574 -99.200 -91.000 TYR 134 0.840 24.156 63.488 -38.013 -99.200 -91.000 TRP 135 1.040 24.600 59.388 -46.882 -99.200 -91.000 TRP6 135 1.020 26.685 58.355 -46.474 -99.200 -91.000 PHE 145 1.000 39.162 65.603 -41.988 -99.200 -91.000 HIS 153 0.900 30.779 51.443 -50.851 -99.200 -91.000 TRP 172 1.040 22.498 75.456 -45.334 -99.200 -91.000 TRP6 172 1.020 22.895 77.561 -44.335 -99.200 -91.000