============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 3 0.900 3.504 21.713 28.585 -99.200 -91.000 TYR 7 0.840 15.346 12.871 22.771 -99.200 -91.000 PHE 8 1.000 16.318 12.649 31.204 -99.200 -91.000 TYR 9 0.840 21.556 10.494 24.039 -99.200 -91.000 PHE 22 1.000 23.319 5.677 23.534 -99.200 -91.000 TYR 27 0.840 11.226 10.397 30.977 -99.200 -91.000 PHE 33 1.000 9.424 11.628 23.164 -99.200 -91.000 PHE 36 1.000 19.368 2.208 20.041 -99.200 -91.000 TRP 51 1.040 1.939 11.411 23.607 -99.200 -91.000 TRP6 51 1.020 4.121 12.193 23.113 -99.200 -91.000 TYR 59 0.840 10.024 10.419 15.451 -99.200 -91.000 TRP 60 1.040 8.670 5.345 14.539 -99.200 -91.000 TRP6 60 1.020 8.904 5.637 16.870 -99.200 -91.000 PHE 67 1.000 18.068 7.605 20.166 -99.200 -91.000 TYR 74 0.840 27.449 9.315 24.624 -99.200 -91.000 TYR 84 0.840 39.983 12.726 28.014 -99.200 -91.000 TYR 85 0.840 38.418 11.764 35.037 -99.200 -91.000 HIS 93 0.900 35.542 3.731 35.284 -99.200 -91.000 TYR 99 0.840 20.021 15.739 23.572 -99.200 -91.000 HIS 113 0.900 18.162 22.922 30.957 -99.200 -91.000 TYR 118 0.840 34.289 8.655 33.700 -99.200 -91.000 TYR 123 0.840 34.096 14.842 31.491 -99.200 -91.000 TRP 133 1.040 31.551 23.913 25.506 -99.200 -91.000 TRP6 133 1.020 29.716 22.416 25.335 -99.200 -91.000 TRP 147 1.040 32.735 18.041 23.052 -99.200 -91.000 TRP6 147 1.020 31.174 17.757 24.813 -99.200 -91.000 TYR 159 0.840 18.255 19.039 19.261 -99.200 -91.000 TRP 167 1.040 11.244 17.319 15.456 -99.200 -91.000 TRP6 167 1.020 9.807 15.699 14.503 -99.200 -91.000 TYR 171 0.840 7.837 14.804 19.816 -99.200 -91.000 HIS 188 0.900 -6.442 9.020 51.859 -99.200 -91.000 HIS 191 0.900 -5.353 9.385 64.918 -99.200 -91.000 HIS 192 0.900 -2.001 5.380 59.963 -99.200 -91.000 HIS 197 0.900 -0.555 9.763 77.211 -99.200 -91.000 TRP 204 1.040 -2.138 8.400 52.655 -99.200 -91.000 TRP6 204 1.020 -0.647 6.919 51.587 -99.200 -91.000 PHE 208 1.000 0.906 13.680 42.884 -99.200 -91.000 TYR 209 0.840 1.486 14.139 33.667 -99.200 -91.000 TRP 217 1.040 1.157 16.635 57.912 -99.200 -91.000 TRP6 217 1.020 -1.117 16.686 58.533 -99.200 -91.000 PHE 241 1.000 4.702 10.974 38.341 -99.200 -91.000 TRP 244 1.040 3.448 8.168 52.537 -99.200 -91.000 TRP6 244 1.020 4.887 8.481 54.395 -99.200 -91.000 TYR 257 0.840 0.139 18.855 64.662 -99.200 -91.000 HIS 260 0.900 -2.170 24.346 54.961 -99.200 -91.000 HIS 263 0.900 -0.955 18.405 40.587 -99.200 -91.000 TRP 274 1.040 -8.158 11.744 61.813 -99.200 -91.000 TRP6 274 1.020 -8.538 11.502 64.127 -99.200 -91.000