============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 20 0.840 -18.168 19.771 4.642 -99.200 -91.000 HIS 21 0.900 -23.840 24.177 0.052 -99.200 -91.000 TRP 25 1.040 -15.884 14.144 -2.372 -99.200 -91.000 TRP6 25 1.020 -16.295 15.433 -4.308 -99.200 -91.000 HIS 38 0.900 -8.544 14.129 21.048 -99.200 -91.000 TYR 49 0.840 -27.819 1.925 5.115 -99.200 -91.000 PHE 50 1.000 -20.916 -0.157 3.681 -99.200 -91.000 HIS 56 0.900 -3.359 6.091 8.128 -99.200 -91.000 PHE 58 1.000 -11.357 3.727 11.281 -99.200 -91.000 HIS 64 0.900 -19.908 5.330 24.196 -99.200 -91.000 PHE 84 1.000 -10.209 -1.746 11.056 -99.200 -91.000 HIS 85 0.900 -7.729 -5.544 1.469 -99.200 -91.000 TYR 88 0.840 -3.955 -1.536 8.246 -99.200 -91.000 PHE 100 1.000 3.972 -3.860 4.226 -99.200 -91.000 TYR 101 0.840 1.611 3.693 6.949 -99.200 -91.000 TYR 103 0.840 -3.457 -5.510 -0.058 -99.200 -91.000 TYR 116 0.840 -26.643 9.648 -1.261 -99.200 -91.000 PHE 154 1.000 -4.209 16.757 -1.264 -99.200 -91.000 TYR 168 0.840 -0.008 17.553 -12.830 -99.200 -91.000 TYR 184 0.840 15.354 10.840 0.277 -99.200 -91.000 TYR 188 0.840 8.685 3.424 5.530 -99.200 -91.000 PHE 202 1.000 0.958 1.739 -0.516 -99.200 -91.000 TYR 211 0.840 3.444 20.923 -14.592 -99.200 -91.000 HIS 228 0.900 -13.553 18.090 -12.066 -99.200 -91.000 PHE 233 1.000 -15.317 17.070 -8.821 -99.200 -91.000 TRP 241 1.040 2.561 5.224 2.775 -99.200 -91.000 TRP6 241 1.020 4.835 5.342 2.149 -99.200 -91.000 HIS 253 0.900 15.017 14.229 -1.876 -99.200 -91.000 PHE 257 1.000 4.936 6.899 -1.636 -99.200 -91.000 HIS 258 0.900 -2.264 9.932 -2.599 -99.200 -91.000 PHE 262 1.000 -9.217 1.589 -11.579 -99.200 -91.000 TRP 267 1.040 -12.216 -4.893 1.796 -99.200 -91.000 TRP6 267 1.020 -12.180 -2.571 2.206 -99.200 -91.000 PHE 279 1.000 -18.348 -1.697 -6.740 -99.200 -91.000