============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 17 1.000 2.024 -0.278 33.049 -99.200 -91.000 HIS 21 0.900 6.630 1.855 18.586 -99.200 -91.000 HIS 23 0.900 3.387 -1.281 15.414 -99.200 -91.000 PHE 31 1.000 -0.671 -8.803 3.123 -99.200 -91.000 TRP 35 1.040 -2.786 -13.715 1.248 -99.200 -91.000 TRP6 35 1.020 -0.698 -13.408 0.163 -99.200 -91.000 PHE 38 1.000 1.374 -13.197 5.935 -99.200 -91.000 PHE 39 1.000 -2.140 -10.753 8.749 -99.200 -91.000 PHE 70 1.000 -2.670 4.415 3.297 -99.200 -91.000 HIS 89 0.900 -9.516 3.241 28.018 -99.200 -91.000 TRP 97 1.040 7.213 1.830 9.727 -99.200 -91.000 TRP6 97 1.020 7.013 -0.160 8.442 -99.200 -91.000 PHE 98 1.000 11.639 3.484 8.204 -99.200 -91.000 PHE 115 1.000 -3.621 10.254 5.234 -99.200 -91.000 PHE 116 1.000 0.881 12.980 7.994 -99.200 -91.000 TYR 122 0.840 -14.455 13.288 7.862 -99.200 -91.000 PHE 144 1.000 6.744 10.897 1.250 -99.200 -91.000 HIS 166 0.900 12.101 2.879 12.680 -99.200 -91.000 PHE 181 1.000 9.786 15.981 14.604 -99.200 -91.000 HIS 195 0.900 11.509 1.681 17.170 -99.200 -91.000 TYR 204 0.840 20.658 10.068 20.034 -99.200 -91.000 TYR 213 0.840 13.160 16.911 20.932 -99.200 -91.000 HIS 219 0.900 13.035 -1.523 18.771 -99.200 -91.000 HIS 222 0.900 11.183 -5.420 19.146 -99.200 -91.000 TRP 242 1.040 15.216 -9.596 29.060 -99.200 -91.000 TRP6 242 1.020 14.831 -8.570 31.172 -99.200 -91.000 TYR 257 0.840 18.137 14.207 31.693 -99.200 -91.000 TRP 267 1.040 4.768 -9.031 21.205 -99.200 -91.000 TRP6 267 1.020 7.104 -9.430 21.137 -99.200 -91.000 PHE 269 1.000 -1.421 -8.678 20.589 -99.200 -91.000 PHE 271 1.000 6.619 -7.767 11.895 -99.200 -91.000 TYR 274 0.840 12.128 -9.078 8.704 -99.200 -91.000 PHE 292 1.000 10.368 -8.421 28.400 -99.200 -91.000 PHE 300 1.000 16.920 -5.704 34.845 -99.200 -91.000 PHE 322 1.000 4.294 11.679 23.550 -99.200 -91.000