============================================================================= 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 7 1.000 29.496 14.717 55.462 -99.200 -91.000 TYR 12 0.840 29.390 6.246 59.244 -99.200 -91.000 HIS 14 0.900 28.814 -1.277 53.561 -99.200 -91.000 PHE 30 1.000 40.827 12.902 46.409 -99.200 -91.000 PHE 38 1.000 32.119 16.169 25.570 -99.200 -91.000 HIS 46 0.900 32.371 27.560 22.604 -99.200 -91.000 PHE 60 1.000 45.478 30.982 40.307 -99.200 -91.000 PHE 68 1.000 48.761 32.118 26.487 -99.200 -91.000 HIS 72 0.900 34.417 39.100 31.291 -99.200 -91.000 PHE 78 1.000 34.883 26.047 35.875 -99.200 -91.000 HIS 85 0.900 44.539 22.341 49.746 -99.200 -91.000 TRP 91 1.040 38.805 17.335 28.927 -99.200 -91.000 TRP6 91 1.020 39.989 17.529 26.889 -99.200 -91.000 PHE 106 1.000 47.654 28.940 30.873 -99.200 -91.000 TYR 116 0.840 47.031 23.687 22.499 -99.200 -91.000 HIS 119 0.900 33.346 19.920 21.830 -99.200 -91.000 PHE 133 1.000 36.969 10.538 42.291 -99.200 -91.000 TYR 161 0.840 24.928 10.183 53.525 -99.200 -91.000 PHE 162 1.000 24.329 16.497 46.679 -99.200 -91.000 PHE 167 1.000 26.156 19.913 52.594 -99.200 -91.000 TRP 180 1.040 17.841 34.232 51.165 -99.200 -91.000 TRP6 180 1.020 18.421 32.977 49.249 -99.200 -91.000 PHE 195 1.000 29.659 29.060 45.924 -99.200 -91.000 TRP 196 1.040 24.592 31.298 51.052 -99.200 -91.000 TRP6 196 1.020 23.735 33.269 52.042 -99.200 -91.000 PHE 205 1.000 20.575 12.696 48.038 -99.200 -91.000 TRP 235 1.040 12.699 10.651 37.702 -99.200 -91.000 TRP6 235 1.020 10.515 10.935 38.595 -99.200 -91.000 PHE 236 1.000 10.320 2.574 36.342 -99.200 -91.000 TRP 266 1.040 9.413 17.658 47.081 -99.200 -91.000 TRP6 266 1.020 9.939 17.159 49.339 -99.200 -91.000 PHE 275 1.000 11.538 7.529 54.709 -99.200 -91.000 TYR 304 0.840 24.741 0.065 43.627 -99.200 -91.000 TRP 310 1.040 41.167 -3.748 48.066 -99.200 -91.000 TRP6 310 1.020 39.019 -4.391 47.309 -99.200 -91.000 TRP 312 1.040 45.104 -3.847 51.774 -99.200 -91.000 TRP6 312 1.020 44.765 -2.386 53.601 -99.200 -91.000 TRP 313 1.040 50.966 0.882 47.646 -99.200 -91.000 TRP6 313 1.020 51.364 3.210 47.500 -99.200 -91.000 PHE 322 1.000 36.668 5.432 44.534 -99.200 -91.000 TRP 323 1.040 34.205 6.621 35.700 -99.200 -91.000 TRP6 323 1.020 31.845 6.779 35.748 -99.200 -91.000 PHE 329 1.000 30.496 15.620 46.213 -99.200 -91.000