============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -4.946 9.023 40.120 -99.200 -91.000 TYR 17 0.840 -1.017 12.233 42.800 -99.200 -91.000 PHE 18 1.000 -4.796 15.317 41.258 -99.200 -91.000 TRP 23 1.040 1.848 13.226 46.181 -99.200 -91.000 TRP6 23 1.020 2.020 10.977 46.915 -99.200 -91.000 TYR 24 0.840 8.406 16.116 51.000 -99.200 -91.000 TYR 28 0.840 16.543 12.986 38.345 -99.200 -91.000 TYR 40 0.840 16.481 20.688 39.963 -99.200 -91.000 TYR 58 0.840 11.556 24.096 46.497 -99.200 -91.000 HIS 59 0.900 11.292 21.998 39.032 -99.200 -91.000 TYR 60 0.840 17.888 24.867 46.652 -99.200 -91.000 PHE 68 1.000 12.361 26.249 38.422 -99.200 -91.000 TYR 69 0.840 8.281 27.737 46.048 -99.200 -91.000 TYR 82 0.840 -5.119 14.490 36.144 -99.200 -91.000 PHE 86 1.000 5.306 25.820 32.565 -99.200 -91.000 TYR 104 0.840 1.582 21.655 26.566 -99.200 -91.000 TYR 105 0.840 3.022 20.359 35.033 -99.200 -91.000 PHE 107 1.000 -0.148 15.408 36.997 -99.200 -91.000 TYR 111 0.840 1.694 1.933 43.151 -99.200 -91.000 HIS 120 0.900 5.601 10.804 30.782 -99.200 -91.000 HIS 124 0.900 5.021 19.627 25.539 -99.200 -91.000 TYR 134 0.840 8.990 7.285 32.688 -99.200 -91.000 PHE 160 1.000 14.281 2.809 42.418 -99.200 -91.000 PHE 163 1.000 13.045 5.749 37.898 -99.200 -91.000 TYR 173 0.840 12.192 19.225 49.495 -99.200 -91.000