============================================================================= 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. PHE 6 1.000 -15.569 -5.996 5.510 -99.200 -91.000 TRP 13 1.040 -10.802 -6.828 16.140 -99.200 -91.000 TRP6 13 1.020 -12.994 -7.318 16.861 -99.200 -91.000 TYR 14 0.840 -14.946 -13.914 17.148 -99.200 -91.000 TYR 17 0.840 -7.615 -7.227 19.821 -99.200 -91.000 TRP 24 1.040 -25.707 -15.646 22.792 -99.200 -91.000 TRP6 24 1.020 -26.406 -14.313 24.610 -99.200 -91.000 TYR 31 0.840 -35.202 -23.456 22.974 -99.200 -91.000 TRP 34 1.040 -36.487 -18.189 17.669 -99.200 -91.000 TRP6 34 1.020 -37.786 -19.398 19.232 -99.200 -91.000 TYR 51 0.840 -35.095 -10.157 31.939 -99.200 -91.000 PHE 52 1.000 -29.586 -17.976 26.307 -99.200 -91.000 PHE 55 1.000 -38.036 -16.526 28.503 -99.200 -91.000 PHE 59 1.000 -40.447 -21.383 29.390 -99.200 -91.000 HIS 75 0.900 -43.968 -13.628 36.663 -99.200 -91.000 TRP 77 1.040 -40.245 -10.089 26.704 -99.200 -91.000 TRP6 77 1.020 -38.800 -11.489 25.475 -99.200 -91.000 TYR 82 0.840 -39.379 -1.797 22.434 -99.200 -91.000 TYR 83 0.840 -43.832 -6.893 28.177 -99.200 -91.000 HIS 90 0.900 -46.837 -19.687 24.233 -99.200 -91.000 HIS 100 0.900 -41.166 -27.307 10.816 -99.200 -91.000 PHE 104 1.000 -35.595 -22.781 15.631 -99.200 -91.000 PHE 108 1.000 -33.273 -17.339 4.797 -99.200 -91.000 HIS 133 0.900 -21.387 -22.295 3.367 -99.200 -91.000 PHE 134 1.000 -28.766 -19.417 4.263 -99.200 -91.000 TYR 149 0.840 -16.938 -2.345 1.048 -99.200 -91.000 TRP 154 1.040 -34.282 5.828 6.085 -99.200 -91.000 TRP6 154 1.020 -36.564 5.519 5.570 -99.200 -91.000 TRP 165 1.040 -30.629 -7.587 2.782 -99.200 -91.000 TRP6 165 1.020 -30.058 -9.200 4.396 -99.200 -91.000 PHE 180 1.000 -17.480 -11.501 7.921 -99.200 -91.000 TRP 216 1.040 -17.281 9.720 12.335 -99.200 -91.000 TRP6 216 1.020 -19.064 10.282 13.782 -99.200 -91.000 TYR 219 0.840 -20.686 7.646 3.944 -99.200 -91.000