============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 14 1.040 30.170 14.352 45.897 -99.200 -91.000 TRP6 14 1.020 28.287 13.006 45.469 -99.200 -91.000 TYR 18 0.840 26.591 17.828 48.522 -99.200 -91.000 PHE 32 1.000 16.203 2.975 41.701 -99.200 -91.000 PHE 33 1.000 12.124 5.505 43.497 -99.200 -91.000 PHE 36 1.000 15.757 0.018 36.315 -99.200 -91.000 TYR 42 0.840 11.812 -2.243 48.579 -99.200 -91.000 PHE 43 1.000 11.652 4.935 48.739 -99.200 -91.000 PHE 46 1.000 8.605 7.581 46.223 -99.200 -91.000 HIS 48 0.900 -0.301 2.194 45.249 -99.200 -91.000 HIS 64 0.900 16.346 6.985 49.676 -99.200 -91.000 HIS 80 0.900 40.950 11.166 53.597 -99.200 -91.000 HIS 96 0.900 19.026 1.662 52.675 -99.200 -91.000 HIS 100 0.900 15.213 1.619 55.512 -99.200 -91.000 TYR 106 0.840 14.560 -3.235 43.604 -99.200 -91.000 PHE 107 1.000 21.684 -0.298 48.636 -99.200 -91.000 PHE 122 1.000 30.033 16.297 36.226 -99.200 -91.000 PHE 126 1.000 32.127 9.668 32.887 -99.200 -91.000 TRP 134 1.040 32.854 9.057 38.503 -99.200 -91.000 TRP6 134 1.020 31.178 9.555 40.088 -99.200 -91.000 TYR 142 0.840 25.667 -4.945 44.333 -99.200 -91.000 HIS 144 0.900 33.437 -1.607 51.946 -99.200 -91.000 TYR 149 0.840 20.977 -5.727 51.939 -99.200 -91.000 TRP 154 1.040 18.681 -10.423 51.542 -99.200 -91.000 TRP6 154 1.020 16.878 -8.978 52.037 -99.200 -91.000