============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 3 0.900 -21.624 23.957 47.317 -99.200 -91.000 PHE 5 1.000 -11.154 27.661 48.115 -99.200 -91.000 PHE 25 1.000 -16.330 14.281 60.825 -99.200 -91.000 TYR 52 0.840 -26.157 15.995 58.971 -99.200 -91.000 PHE 60 1.000 -18.219 14.241 55.457 -99.200 -91.000 PHE 70 1.000 -3.964 22.446 49.961 -99.200 -91.000 HIS 72 0.900 1.880 18.467 44.008 -99.200 -91.000 TYR 94 0.840 -10.089 2.491 44.654 -99.200 -91.000 PHE 103 1.000 1.308 -1.211 49.397 -99.200 -91.000 HIS 107 0.900 2.806 -5.917 50.134 -99.200 -91.000 PHE 111 1.000 6.701 -2.534 48.106 -99.200 -91.000 TYR 129 0.840 0.338 23.415 45.172 -99.200 -91.000 TYR 135 0.840 -3.246 22.610 55.367 -99.200 -91.000 HIS 137 0.900 -1.334 16.862 57.126 -99.200 -91.000 PHE 158 1.000 -5.031 17.748 52.896 -99.200 -91.000 TRP 170 1.040 3.875 10.286 62.924 -99.200 -91.000 TRP6 170 1.020 2.734 8.777 64.348 -99.200 -91.000 TYR 178 0.840 7.168 27.826 71.681 -99.200 -91.000 PHE 181 1.000 1.387 22.337 66.018 -99.200 -91.000 TRP 188 1.040 10.098 16.041 64.596 -99.200 -91.000 TRP6 188 1.020 12.090 16.404 65.799 -99.200 -91.000 TYR 190 0.840 9.614 13.745 53.901 -99.200 -91.000 TRP 195 1.040 12.798 5.211 62.153 -99.200 -91.000 TRP6 195 1.020 11.080 3.956 63.172 -99.200 -91.000 TYR 200 0.840 9.781 -2.437 53.716 -99.200 -91.000 TYR 205 0.840 9.967 8.824 68.743 -99.200 -91.000 TRP 206 1.040 10.010 0.810 68.288 -99.200 -91.000 TRP6 206 1.020 11.859 2.088 69.046 -99.200 -91.000 TYR 221 0.840 19.130 9.374 74.441 -99.200 -91.000 TYR 234 0.840 19.817 7.370 61.402 -99.200 -91.000 TRP 241 1.040 13.504 13.195 62.853 -99.200 -91.000 TRP6 241 1.020 14.371 11.010 62.842 -99.200 -91.000 PHE 251 1.000 7.930 19.497 53.780 -99.200 -91.000