============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 85.562 63.637 -12.312 -99.200 -91.000 PHE 4 1.000 79.283 66.443 -6.569 -99.200 -91.000 PHE 10 1.000 78.486 60.852 5.593 -99.200 -91.000 PHE 13 1.000 78.707 62.356 11.415 -99.200 -91.000 PHE 22 1.000 83.957 49.565 6.433 -99.200 -91.000 PHE 25 1.000 77.014 44.327 8.343 -99.200 -91.000 TYR 35 0.840 78.419 48.988 1.496 -99.200 -91.000 PHE 36 1.000 72.345 47.418 7.374 -99.200 -91.000 PHE 37 1.000 75.139 55.452 5.158 -99.200 -91.000 PHE 42 1.000 74.638 59.848 11.059 -99.200 -91.000 TYR 54 0.840 80.347 65.503 6.521 -99.200 -91.000 TYR 55 0.840 71.608 64.742 3.135 -99.200 -91.000 TYR 66 0.840 68.324 74.365 -4.453 -99.200 -91.000 PHE 70 1.000 58.869 67.493 -2.080 -99.200 -91.000 TYR 74 0.840 55.627 60.134 8.018 -99.200 -91.000 TYR 91 0.840 78.059 76.036 4.912 -99.200 -91.000 TYR 97 0.840 61.053 75.385 5.614 -99.200 -91.000 PHE 99 1.000 59.202 70.492 5.768 -99.200 -91.000 PHE 105 1.000 52.761 69.327 -2.840 -99.200 -91.000 PHE 128 1.000 62.273 61.152 -9.425 -99.200 -91.000 TYR 129 0.840 58.601 56.856 -12.066 -99.200 -91.000 TYR 132 0.840 57.488 63.241 -13.133 -99.200 -91.000 PHE 168 1.000 61.554 60.781 -14.173 -99.200 -91.000 PHE 178 1.000 81.155 49.115 -3.652 -99.200 -91.000 PHE 182 1.000 86.708 48.502 -3.982 -99.200 -91.000 TYR 184 0.840 87.780 54.540 5.790 -99.200 -91.000 PHE 197 1.000 83.597 47.048 1.013 -99.200 -91.000 TYR 200 0.840 77.602 43.634 -2.509 -99.200 -91.000 TYR 204 0.840 75.034 41.005 -5.699 -99.200 -91.000