============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 5 0.840 26.362 12.670 53.732 -99.200 -91.000 HIS 18 0.900 40.422 7.502 37.665 -99.200 -91.000 TRP 22 1.040 45.443 15.662 36.397 -99.200 -91.000 TRP6 22 1.020 45.831 17.611 35.133 -99.200 -91.000 PHE 24 1.000 37.934 17.063 34.913 -99.200 -91.000 TYR 36 0.840 36.027 27.556 32.838 -99.200 -91.000 TYR 37 0.840 35.373 31.109 36.392 -99.200 -91.000 PHE 42 1.000 23.877 27.700 34.441 -99.200 -91.000 TYR 57 0.840 22.067 21.070 45.312 -99.200 -91.000 TYR 58 0.840 25.402 16.944 45.189 -99.200 -91.000 PHE 64 1.000 27.343 12.635 43.088 -99.200 -91.000 PHE 72 1.000 32.901 14.010 34.082 -99.200 -91.000 TYR 78 0.840 38.049 27.436 28.400 -99.200 -91.000 TYR 85 0.840 43.264 20.914 31.452 -99.200 -91.000 TYR 86 0.840 36.470 16.136 24.557 -99.200 -91.000 PHE 95 1.000 36.710 5.307 39.423 -99.200 -91.000 PHE 96 1.000 29.096 9.334 38.144 -99.200 -91.000 PHE 97 1.000 27.835 7.616 33.345 -99.200 -91.000