============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 5 1.000 -14.794 -4.232 57.730 -99.200 -91.000 PHE 8 1.000 -12.663 6.091 56.893 -99.200 -91.000 HIS 19 0.900 -12.197 25.942 43.370 -99.200 -91.000 PHE 21 1.000 -11.624 21.702 48.751 -99.200 -91.000 TYR 32 0.840 -8.113 -3.658 67.778 -99.200 -91.000 PHE 50 1.000 -7.200 21.924 45.812 -99.200 -91.000 TRP 52 1.040 -6.923 13.297 46.273 -99.200 -91.000 TRP6 52 1.020 -9.202 13.847 46.563 -99.200 -91.000 PHE 59 1.000 -10.473 13.394 52.110 -99.200 -91.000 TYR 63 0.840 -9.757 2.391 60.625 -99.200 -91.000 HIS 66 0.900 -0.675 2.966 68.357 -99.200 -91.000 TYR 73 0.840 -4.721 10.803 73.511 -99.200 -91.000 PHE 78 1.000 -13.081 6.571 68.465 -99.200 -91.000 PHE 82 1.000 -9.009 10.640 67.185 -99.200 -91.000 TRP 84 1.040 -7.614 14.327 62.793 -99.200 -91.000 TRP6 84 1.020 -6.724 15.557 60.964 -99.200 -91.000 PHE 90 1.000 1.743 22.113 51.596 -99.200 -91.000 PHE 109 1.000 -13.745 4.108 64.292 -99.200 -91.000 TYR 111 0.840 -12.630 9.115 60.513 -99.200 -91.000 PHE 115 1.000 -6.892 21.383 53.222 -99.200 -91.000 PHE 120 1.000 -0.868 25.523 49.153 -99.200 -91.000 TRP 134 1.040 1.107 12.785 50.542 -99.200 -91.000 TRP6 134 1.020 2.064 14.835 51.325 -99.200 -91.000 TYR 142 0.840 5.857 16.249 71.141 -99.200 -91.000 HIS 153 0.900 11.446 17.373 59.280 -99.200 -91.000 HIS 163 0.900 11.835 13.323 46.864 -99.200 -91.000 TYR 164 0.840 5.459 21.552 47.300 -99.200 -91.000 PHE 168 1.000 1.405 16.320 56.641 -99.200 -91.000 TYR 172 0.840 -2.435 12.965 66.203 -99.200 -91.000 TYR 183 0.840 10.795 11.653 71.354 -99.200 -91.000 TYR 184 0.840 3.638 6.427 69.648 -99.200 -91.000 TYR 185 0.840 10.643 8.300 66.334 -99.200 -91.000 HIS 195 0.900 -6.081 9.577 39.211 -99.200 -91.000 TYR 199 0.840 -5.998 13.099 40.515 -99.200 -91.000 TYR 205 0.840 -3.445 -0.368 51.816 -99.200 -91.000 HIS 212 0.900 8.725 1.355 72.652 -99.200 -91.000 HIS 213 0.900 15.720 5.563 67.471 -99.200 -91.000 PHE 215 1.000 20.031 2.971 66.274 -99.200 -91.000