============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TRP 6 1.040 29.078 113.856 25.114 -99.200 -91.000 TRP6 6 1.020 30.384 113.986 27.083 -99.200 -91.000 HIS 12 0.900 36.920 116.421 21.475 -99.200 -91.000 TRP 30 1.040 41.150 103.619 10.066 -99.200 -91.000 TRP6 30 1.020 42.148 104.245 8.009 -99.200 -91.000 PHE 31 1.000 45.125 98.537 14.601 -99.200 -91.000 TYR 33 0.840 37.954 94.688 4.587 -99.200 -91.000 PHE 37 1.000 46.891 89.232 5.946 -99.200 -91.000 TRP 51 1.040 38.513 87.129 5.067 -99.200 -91.000 TRP6 51 1.020 39.528 86.754 7.171 -99.200 -91.000 HIS 70 0.900 50.920 99.953 28.664 -99.200 -91.000 TRP 75 1.040 49.507 109.281 22.951 -99.200 -91.000 TRP6 75 1.020 48.454 108.376 21.028 -99.200 -91.000 TRP 77 1.040 49.907 109.843 15.486 -99.200 -91.000 TRP6 77 1.020 48.934 110.656 13.496 -99.200 -91.000 TYR 84 0.840 52.067 105.386 18.539 -99.200 -91.000 PHE 91 1.000 46.222 95.927 18.563 -99.200 -91.000 TYR 99 0.840 46.362 91.699 22.079 -99.200 -91.000 HIS 102 0.900 48.792 86.551 9.903 -99.200 -91.000 TRP 118 1.040 31.576 90.197 9.541 -99.200 -91.000 TRP6 118 1.020 29.681 90.156 10.972 -99.200 -91.000 PHE 119 1.000 34.692 85.658 14.332 -99.200 -91.000 PHE 134 1.000 47.609 82.482 23.483 -99.200 -91.000 TRP 137 1.040 54.008 95.755 28.160 -99.200 -91.000 TRP6 137 1.020 53.177 97.112 26.411 -99.200 -91.000 TYR 143 0.840 32.002 90.303 33.441 -99.200 -91.000 TRP 168 1.040 41.195 96.831 38.783 -99.200 -91.000 TRP6 168 1.020 39.153 96.033 39.669 -99.200 -91.000 TYR 188 0.840 16.453 98.660 24.715 -99.200 -91.000 PHE 192 1.000 24.804 102.146 21.267 -99.200 -91.000 PHE 196 1.000 28.971 105.483 21.844 -99.200 -91.000 TYR 213 0.840 30.636 100.717 9.063 -99.200 -91.000 TYR 214 0.840 36.472 101.509 18.322 -99.200 -91.000 PHE 215 1.000 28.795 101.862 15.092 -99.200 -91.000 PHE 218 1.000 25.980 111.166 21.956 -99.200 -91.000 PHE 225 1.000 30.820 104.831 10.342 -99.200 -91.000 HIS 229 0.900 33.837 97.825 6.249 -99.200 -91.000 PHE 234 1.000 52.901 92.821 6.674 -99.200 -91.000 PHE 248 1.000 49.254 100.234 10.906 -99.200 -91.000 HIS 249 0.900 47.532 107.274 14.383 -99.200 -91.000 PHE 270 1.000 30.978 100.788 29.159 -99.200 -91.000 PHE 271 1.000 41.908 100.504 30.516 -99.200 -91.000 PHE 278 1.000 33.349 97.006 38.194 -99.200 -91.000 TRP 281 1.040 30.987 101.226 33.368 -99.200 -91.000 TRP6 281 1.020 30.024 99.129 33.894 -99.200 -91.000 PHE 297 1.000 24.830 97.859 30.797 -99.200 -91.000 HIS 303 0.900 27.408 83.789 38.468 -99.200 -91.000 HIS 306 0.900 20.812 77.468 36.988 -99.200 -91.000 TRP 307 1.040 16.970 75.693 37.339 -99.200 -91.000 TRP6 307 1.020 17.256 73.433 36.688 -99.200 -91.000