============================================================================= 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. TYR 5 0.840 55.402 -18.163 64.455 -99.200 -91.000 PHE 7 1.000 45.951 -10.580 61.746 -99.200 -91.000 TYR 12 0.840 49.605 -3.060 68.542 -99.200 -91.000 TYR 13 0.840 52.980 -9.745 60.181 -99.200 -91.000 PHE 26 1.000 60.557 -9.781 57.072 -99.200 -91.000 PHE 31 1.000 50.039 -16.833 66.488 -99.200 -91.000 TYR 32 0.840 44.633 -15.197 60.589 -99.200 -91.000 HIS 55 0.900 69.123 -16.510 72.050 -99.200 -91.000 PHE 57 1.000 57.351 -19.160 69.256 -99.200 -91.000 TYR 67 0.840 66.017 -10.373 70.416 -99.200 -91.000 PHE 83 1.000 65.960 13.197 78.163 -99.200 -91.000 TYR 98 0.840 48.723 7.221 77.664 -99.200 -91.000 TYR 107 0.840 41.348 -0.615 65.789 -99.200 -91.000 PHE 111 1.000 39.100 0.120 60.772 -99.200 -91.000 PHE 112 1.000 36.531 -6.708 62.338 -99.200 -91.000 PHE 131 1.000 44.976 11.490 67.361 -99.200 -91.000 PHE 140 1.000 54.313 15.054 65.398 -99.200 -91.000 TYR 143 0.840 61.497 11.211 59.727 -99.200 -91.000 PHE 155 1.000 52.306 9.923 63.136 -99.200 -91.000 PHE 157 1.000 52.488 0.415 59.422 -99.200 -91.000 PHE 174 1.000 40.436 11.811 67.169 -99.200 -91.000 PHE 178 1.000 49.122 16.290 66.071 -99.200 -91.000 HIS 192 0.900 61.859 -1.077 52.583 -99.200 -91.000 PHE 205 1.000 41.526 -10.011 60.193 -99.200 -91.000