============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 4 1.000 16.769 -14.170 12.744 -99.200 -91.000 TRP 14 1.040 12.497 -16.700 14.057 -99.200 -91.000 TRP6 14 1.020 12.662 -15.256 15.921 -99.200 -91.000 PHE 25 1.000 29.879 -12.393 42.096 -99.200 -91.000 HIS 42 0.900 30.778 -6.339 7.856 -99.200 -91.000 PHE 45 1.000 23.633 -13.308 5.549 -99.200 -91.000 HIS 53 0.900 25.549 -26.144 15.704 -99.200 -91.000 HIS 59 0.900 26.105 -6.565 18.243 -99.200 -91.000 PHE 75 1.000 21.941 -2.696 37.531 -99.200 -91.000 TRP 90 1.040 33.834 -5.246 34.036 -99.200 -91.000 TRP6 90 1.020 34.968 -3.333 33.265 -99.200 -91.000 TYR 99 0.840 44.280 -1.140 25.398 -99.200 -91.000 HIS 100 0.900 36.091 -1.672 28.801 -99.200 -91.000 HIS 102 0.900 40.753 -5.656 22.496 -99.200 -91.000 TRP 110 1.040 30.630 -8.087 20.032 -99.200 -91.000 TRP6 110 1.020 31.448 -8.416 17.836 -99.200 -91.000 PHE 112 1.000 24.764 -9.634 25.489 -99.200 -91.000 PHE 120 1.000 18.630 -9.374 17.118 -99.200 -91.000 PHE 123 1.000 12.771 -14.974 29.515 -99.200 -91.000 PHE 124 1.000 19.438 -9.563 26.872 -99.200 -91.000 HIS 125 0.900 24.627 -15.048 31.850 -99.200 -91.000 HIS 135 0.900 19.556 0.938 38.037 -99.200 -91.000 PHE 156 1.000 29.161 9.946 21.311 -99.200 -91.000 HIS 157 0.900 37.189 3.584 21.446 -99.200 -91.000 HIS 188 0.900 28.397 16.714 21.443 -99.200 -91.000 PHE 195 1.000 36.514 18.885 4.544 -99.200 -91.000 HIS 202 0.900 17.180 10.431 6.497 -99.200 -91.000 TYR 210 0.840 23.199 13.047 14.984 -99.200 -91.000 TYR 218 0.840 32.828 8.069 -2.695 -99.200 -91.000 HIS 247 0.900 41.257 -2.475 -1.016 -99.200 -91.000 PHE 249 1.000 42.012 1.093 8.059 -99.200 -91.000 TYR 267 0.840 32.922 -7.521 12.096 -99.200 -91.000 TRP 281 1.040 51.707 5.440 7.534 -99.200 -91.000 TRP6 281 1.020 53.117 3.983 8.747 -99.200 -91.000 HIS 287 0.900 56.466 11.400 13.664 -99.200 -91.000 HIS 289 0.900 51.170 8.859 15.688 -99.200 -91.000 HIS 291 0.900 45.657 5.857 17.011 -99.200 -91.000 PHE 310 1.000 18.337 13.237 32.908 -99.200 -91.000 TYR 311 0.840 22.475 16.127 33.011 -99.200 -91.000 HIS 322 0.900 13.366 1.886 7.764 -99.200 -91.000 PHE 324 1.000 9.971 -2.567 10.685 -99.200 -91.000 PHE 327 1.000 11.295 -13.206 20.337 -99.200 -91.000 PHE 334 1.000 20.363 -10.755 10.477 -99.200 -91.000