============================================================================= 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. TYR 26 0.840 41.929 25.327 30.477 -99.200 -91.000 PHE 32 1.000 46.526 26.390 31.225 -99.200 -91.000 TRP 34 1.040 46.138 32.704 32.561 -99.200 -91.000 TRP6 34 1.020 45.930 31.157 30.787 -99.200 -91.000 TRP 36 1.040 52.156 39.425 30.059 -99.200 -91.000 TRP6 36 1.020 51.681 39.598 27.751 -99.200 -91.000 PHE 40 1.000 65.720 41.447 26.740 -99.200 -91.000 TRP 47 1.040 58.422 34.372 34.658 -99.200 -91.000 TRP6 47 1.020 58.618 35.299 36.832 -99.200 -91.000 TYR 50 0.840 52.985 33.699 38.683 -99.200 -91.000 TYR 53 0.840 44.132 28.715 39.946 -99.200 -91.000 PHE 56 1.000 50.062 34.921 44.684 -99.200 -91.000 HIS 59 0.900 56.691 42.612 39.827 -99.200 -91.000 PHE 78 1.000 47.901 36.276 29.799 -99.200 -91.000 PHE 79 1.000 44.084 43.218 29.276 -99.200 -91.000 TYR 93 0.840 58.280 42.875 25.386 -99.200 -91.000 TYR 94 0.840 57.821 34.694 22.004 -99.200 -91.000 TRP 100 1.040 49.356 27.473 41.045 -99.200 -91.000 TRP6 100 1.020 50.532 29.521 41.093 -99.200 -91.000 TYR 101 0.840 49.302 19.028 40.670 -99.200 -91.000 TRP 107 1.040 55.689 29.248 25.298 -99.200 -91.000 TRP6 107 1.020 57.600 30.583 25.685 -99.200 -91.000 TYR 126 0.840 62.368 49.984 -5.067 -99.200 -91.000 TYR 149 0.840 60.739 46.932 6.437 -99.200 -91.000 PHE 150 1.000 61.887 52.253 13.064 -99.200 -91.000 TRP 158 1.040 57.498 34.951 -2.983 -99.200 -91.000 TRP6 158 1.020 58.257 36.456 -4.647 -99.200 -91.000 HIS 168 0.900 65.759 29.567 0.319 -99.200 -91.000 PHE 170 1.000 67.778 35.262 1.651 -99.200 -91.000 TYR 179 0.840 64.235 47.380 10.951 -99.200 -91.000 TRP 192 1.040 58.080 34.193 -14.404 -99.200 -91.000 TRP6 192 1.020 59.834 35.504 -15.289 -99.200 -91.000 HIS 203 0.900 55.702 49.093 7.650 -99.200 -91.000