============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 4 1.000 -0.317 -18.137 26.856 -99.200 -91.000 HIS 34 0.900 6.001 -19.367 29.798 -99.200 -91.000 PHE 40 1.000 10.696 -11.615 32.955 -99.200 -91.000 PHE 46 1.000 9.681 4.749 34.807 -99.200 -91.000 PHE 48 1.000 -0.506 2.233 30.910 -99.200 -91.000 PHE 55 1.000 -3.498 11.909 32.042 -99.200 -91.000 TYR 71 0.840 13.564 20.856 28.973 -99.200 -91.000 TRP 79 1.040 14.144 7.594 22.440 -99.200 -91.000 TRP6 79 1.020 14.517 7.649 20.122 -99.200 -91.000 PHE 86 1.000 8.015 20.796 22.572 -99.200 -91.000 HIS 91 0.900 7.515 26.069 28.179 -99.200 -91.000 TYR 126 0.840 -0.489 5.821 40.768 -99.200 -91.000 PHE 127 1.000 4.555 0.944 39.833 -99.200 -91.000 TYR 170 0.840 -9.716 -2.551 30.649 -99.200 -91.000 HIS 180 0.900 -11.560 8.469 25.206 -99.200 -91.000 TRP 185 1.040 -1.932 10.951 25.608 -99.200 -91.000 TRP6 185 1.020 -0.874 11.710 27.582 -99.200 -91.000 PHE 200 1.000 -2.079 -8.334 20.820 -99.200 -91.000 TRP 204 1.040 -8.310 -8.712 18.363 -99.200 -91.000 TRP6 204 1.020 -6.856 -9.979 19.745 -99.200 -91.000 PHE 223 1.000 -6.191 -0.328 25.244 -99.200 -91.000 PHE 224 1.000 -5.534 -8.629 24.242 -99.200 -91.000 TYR 231 0.840 -9.345 -10.551 26.724 -99.200 -91.000 TYR 236 0.840 7.436 -6.391 32.016 -99.200 -91.000