============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 41.478 15.339 7.254 -99.200 -91.000 TRP6 9 1.020 42.227 13.414 8.364 -99.200 -91.000 TYR 10 0.840 45.390 17.136 -0.081 -99.200 -91.000 PHE 17 1.000 36.897 15.852 4.957 -99.200 -91.000 TYR 31 0.840 35.445 15.883 -0.977 -99.200 -91.000 TYR 42 0.840 31.320 21.506 -6.011 -99.200 -91.000 TYR 48 0.840 33.299 15.968 16.755 -99.200 -91.000 TRP 63 1.040 32.301 14.720 4.246 -99.200 -91.000 TRP6 63 1.020 33.789 13.144 5.141 -99.200 -91.000 TRP 67 1.040 28.814 16.128 -5.437 -99.200 -91.000 TRP6 67 1.020 31.071 16.599 -4.964 -99.200 -91.000 TYR 71 0.840 33.057 29.398 -9.978 -99.200 -91.000 HIS 75 0.900 20.954 19.811 -11.670 -99.200 -91.000 TRP 80 1.040 33.013 10.884 1.226 -99.200 -91.000 TRP6 80 1.020 32.213 12.792 0.157 -99.200 -91.000 TYR 84 0.840 40.720 11.321 13.943 -99.200 -91.000 TRP 96 1.040 32.448 7.224 -1.918 -99.200 -91.000 TRP6 96 1.020 31.333 6.939 -3.988 -99.200 -91.000 TRP 108 1.040 16.401 1.422 -12.909 -99.200 -91.000 TRP6 108 1.020 18.426 0.390 -13.495 -99.200 -91.000 HIS 115 0.900 36.329 1.160 -1.421 -99.200 -91.000 PHE 118 1.000 38.442 11.541 2.341 -99.200 -91.000