============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 8 0.840 -5.741 14.196 21.814 -99.200 -91.000 TYR 10 0.840 -6.081 18.994 14.454 -99.200 -91.000 TYR 17 0.840 15.282 18.864 14.847 -99.200 -91.000 HIS 38 0.900 9.725 15.837 13.830 -99.200 -91.000 TYR 40 0.840 6.906 11.807 11.991 -99.200 -91.000 HIS 43 0.900 18.185 11.333 12.127 -99.200 -91.000 PHE 57 1.000 5.457 14.173 2.111 -99.200 -91.000 HIS 60 0.900 3.615 10.752 11.519 -99.200 -91.000 PHE 76 1.000 11.212 5.370 -5.859 -99.200 -91.000 TYR 81 0.840 20.022 12.389 -14.975 -99.200 -91.000 HIS 101 0.900 19.658 23.324 -15.338 -99.200 -91.000 PHE 103 1.000 10.649 16.353 -7.707 -99.200 -91.000 HIS 105 0.900 12.473 24.420 -8.921 -99.200 -91.000 HIS 107 0.900 12.699 29.571 -11.043 -99.200 -91.000 PHE 109 1.000 8.936 29.708 -3.727 -99.200 -91.000 TYR 114 0.840 25.397 21.696 -10.133 -99.200 -91.000 PHE 124 1.000 29.773 20.666 -8.222 -99.200 -91.000 PHE 130 1.000 16.695 28.061 5.406 -99.200 -91.000 PHE 135 1.000 12.317 31.195 3.924 -99.200 -91.000 HIS 147 0.900 -2.166 35.707 8.205 -99.200 -91.000 PHE 148 1.000 3.145 34.053 1.213 -99.200 -91.000 TYR 150 0.840 -4.288 31.362 -4.412 -99.200 -91.000 PHE 169 1.000 29.901 30.566 -16.329 -99.200 -91.000 TRP 172 1.040 22.548 26.542 -13.661 -99.200 -91.000 TRP6 172 1.020 23.080 24.275 -14.078 -99.200 -91.000 PHE 173 1.000 16.472 31.608 -14.724 -99.200 -91.000 PHE 186 1.000 3.823 19.773 -3.427 -99.200 -91.000 PHE 188 1.000 -0.680 30.229 -1.368 -99.200 -91.000 PHE 194 1.000 -4.608 24.991 10.219 -99.200 -91.000 TRP 209 1.040 1.631 28.667 11.509 -99.200 -91.000 TRP6 209 1.020 -0.551 28.044 10.851 -99.200 -91.000 TRP 210 1.040 7.267 29.484 3.265 -99.200 -91.000 TRP6 210 1.020 7.745 31.414 1.983 -99.200 -91.000 TYR 212 0.840 9.069 26.148 14.288 -99.200 -91.000 TRP 213 1.040 8.065 23.077 5.947 -99.200 -91.000 TRP6 213 1.020 6.757 23.614 4.053 -99.200 -91.000 PHE 214 1.000 10.391 26.627 2.645 -99.200 -91.000 PHE 219 1.000 6.533 18.352 10.397 -99.200 -91.000 TYR 221 0.840 2.513 19.677 15.577 -99.200 -91.000 HIS 222 0.900 7.008 24.363 20.104 -99.200 -91.000 TRP 225 1.040 1.086 23.571 10.379 -99.200 -91.000 TRP6 225 1.020 1.899 21.370 10.688 -99.200 -91.000 HIS 226 0.900 -4.674 21.780 12.938 -99.200 -91.000 PHE 236 1.000 -5.504 24.237 -0.789 -99.200 -91.000 PHE 272 1.000 16.124 13.550 -15.905 -99.200 -91.000 PHE 279 1.000 24.506 19.128 -15.197 -99.200 -91.000 TYR 287 0.840 19.832 24.660 7.845 -99.200 -91.000 TYR 288 0.840 23.394 20.793 12.902 -99.200 -91.000