============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 10 0.840 -64.501 -94.166 38.336 -99.200 -91.000 TYR 25 0.840 -63.484 -72.094 39.661 -99.200 -91.000 PHE 26 1.000 -71.067 -66.500 35.050 -99.200 -91.000 HIS 28 0.900 -66.671 -68.535 44.856 -99.200 -91.000 PHE 32 1.000 -63.809 -63.133 43.973 -99.200 -91.000 TRP 35 1.040 -68.238 -57.756 47.210 -99.200 -91.000 TRP6 35 1.020 -67.486 -59.877 47.954 -99.200 -91.000 TYR 45 0.840 -66.503 -64.875 31.872 -99.200 -91.000 HIS 46 0.900 -61.123 -65.088 30.766 -99.200 -91.000 HIS 54 0.900 -61.601 -78.858 32.361 -99.200 -91.000 TYR 58 0.840 -65.191 -85.060 32.262 -99.200 -91.000 PHE 64 1.000 -66.897 -92.811 20.237 -99.200 -91.000 TYR 107 0.840 -62.852 -99.117 35.849 -99.200 -91.000 HIS 112 0.900 -56.530-103.299 28.312 -99.200 -91.000 TYR 114 0.840 -54.903 -98.380 27.223 -99.200 -91.000 HIS 130 0.900 -58.956 -74.715 36.521 -99.200 -91.000 TRP 133 1.040 -54.893 -67.618 39.947 -99.200 -91.000 TRP6 133 1.020 -57.024 -67.156 40.832 -99.200 -91.000 TYR 149 0.840 -55.528 -61.220 47.059 -99.200 -91.000