============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 27 0.840 -31.292 -77.199 58.148 -99.200 -91.000 PHE 29 1.000 -29.309 -82.037 54.059 -99.200 -91.000 TYR 32 0.840 -35.109 -74.335 56.041 -99.200 -91.000 TRP 33 1.040 -33.905 -74.315 47.825 -99.200 -91.000 TRP6 33 1.020 -33.657 -75.227 45.655 -99.200 -91.000 TRP 36 1.040 -22.646 -76.288 47.863 -99.200 -91.000 TRP6 36 1.020 -21.059 -77.105 49.416 -99.200 -91.000 HIS 43 0.900 -11.169 -62.462 42.122 -99.200 -91.000 TRP 47 1.040 -25.857 -69.096 44.599 -99.200 -91.000 TRP6 47 1.020 -26.852 -69.720 42.548 -99.200 -91.000 TYR 60 0.840 -24.950 -77.460 39.441 -99.200 -91.000 PHE 64 1.000 -18.228 -71.624 40.028 -99.200 -91.000 PHE 70 1.000 -24.050 -76.972 43.646 -99.200 -91.000 TYR 80 0.840 -21.343 -85.512 50.682 -99.200 -91.000 TYR 93 0.840 -14.350 -73.172 46.750 -99.200 -91.000 TYR 94 0.840 -17.563 -68.888 53.632 -99.200 -91.000 TYR 99 0.840 -38.286 -70.775 52.043 -99.200 -91.000 TYR 104 0.840 -29.206 -70.106 60.920 -99.200 -91.000 TRP 105 1.040 -23.774 -67.465 55.124 -99.200 -91.000 TRP6 105 1.020 -22.645 -66.961 53.137 -99.200 -91.000 TYR 124 0.840 15.832 -65.055 51.194 -99.200 -91.000 TYR 147 0.840 5.035 -69.515 53.745 -99.200 -91.000 PHE 148 1.000 1.338 -75.791 49.259 -99.200 -91.000 TRP 156 1.040 9.636 -59.849 64.293 -99.200 -91.000 TRP6 156 1.020 11.566 -59.281 63.065 -99.200 -91.000 HIS 166 0.900 2.603 -52.751 61.551 -99.200 -91.000 PHE 168 1.000 3.687 -55.932 56.416 -99.200 -91.000 TYR 177 0.840 0.340 -69.886 50.723 -99.200 -91.000 TRP 190 1.040 19.312 -53.992 64.952 -99.200 -91.000 TRP6 190 1.020 19.962 -53.013 62.886 -99.200 -91.000 HIS 201 0.900 6.195 -74.479 56.302 -99.200 -91.000