============================================================================= 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 -106.564 -52.345 20.988 -99.200 -91.000 TYR 25 0.840 -95.974 -39.814 6.072 -99.200 -91.000 PHE 26 1.000 -93.734 -44.051 -3.237 -99.200 -91.000 HIS 28 0.900 -99.511 -35.971 1.312 -99.200 -91.000 PHE 32 1.000 -94.820 -32.358 -0.557 -99.200 -91.000 TRP 35 1.040 -96.615 -29.581 -7.382 -99.200 -91.000 TRP6 35 1.020 -97.809 -29.810 -5.358 -99.200 -91.000 TYR 45 0.840 -88.364 -43.187 -1.139 -99.200 -91.000 HIS 46 0.900 -85.069 -40.961 2.798 -99.200 -91.000 HIS 54 0.900 -93.058 -47.477 12.163 -99.200 -91.000 TYR 58 0.840 -98.045 -52.353 14.021 -99.200 -91.000 PHE 64 1.000 -94.318 -65.580 18.342 -99.200 -91.000 TYR 107 0.840 -106.498 -55.729 25.590 -99.200 -91.000 HIS 112 0.900 -100.112 -59.911 33.009 -99.200 -91.000 TYR 114 0.840 -96.018 -57.455 30.705 -99.200 -91.000 HIS 130 0.900 -92.559 -40.781 10.992 -99.200 -91.000 TRP 133 1.040 -89.524 -32.930 9.051 -99.200 -91.000 TRP6 133 1.020 -91.031 -33.080 7.243 -99.200 -91.000 TYR 149 0.840 -91.918 -25.063 3.957 -99.200 -91.000