============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 3 0.840 25.137 -6.812 2.269 -99.200 -91.000 TYR 5 0.840 16.028 -6.246 8.404 -99.200 -91.000 HIS 15 0.900 5.686 -2.374 9.043 -99.200 -91.000 TYR 31 0.840 13.826 5.859 27.672 -99.200 -91.000 TYR 35 0.840 0.906 16.580 23.175 -99.200 -91.000 PHE 48 1.000 11.445 9.932 29.997 -99.200 -91.000 TYR 50 0.840 17.640 18.119 30.195 -99.200 -91.000 TYR 59 0.840 4.366 19.422 26.180 -99.200 -91.000 HIS 70 0.900 7.814 24.671 21.664 -99.200 -91.000 TYR 84 0.840 15.819 24.034 14.568 -99.200 -91.000 PHE 85 1.000 18.905 16.601 10.687 -99.200 -91.000 PHE 91 1.000 19.125 17.998 25.303 -99.200 -91.000 HIS 105 0.900 6.568 15.337 22.750 -99.200 -91.000 TYR 120 0.840 21.988 10.277 20.257 -99.200 -91.000 TYR 133 0.840 24.461 2.790 12.422 -99.200 -91.000 PHE 134 1.000 18.959 6.467 5.379 -99.200 -91.000 TYR 136 0.840 20.793 -2.595 12.138 -99.200 -91.000 TYR 138 0.840 13.202 4.196 7.098 -99.200 -91.000 HIS 139 0.900 14.180 -0.614 5.479 -99.200 -91.000 PHE 148 1.000 13.000 5.840 12.623 -99.200 -91.000 PHE 154 1.000 10.467 16.210 8.652 -99.200 -91.000 TYR 162 0.840 23.508 13.030 10.359 -99.200 -91.000