============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 4 0.840 35.829 -75.383 52.977 -99.200 -91.000 PHE 11 1.000 37.774 -84.467 57.875 -99.200 -91.000 PHE 18 1.000 29.823 -76.674 58.352 -99.200 -91.000 TYR 22 0.840 24.084 -78.133 56.471 -99.200 -91.000 PHE 44 1.000 14.311-100.296 73.255 -99.200 -91.000 HIS 69 0.900 19.065-110.482 70.637 -99.200 -91.000 TYR 74 0.840 13.397 -95.928 62.836 -99.200 -91.000 HIS 83 0.900 19.229 -98.312 53.746 -99.200 -91.000 PHE 95 1.000 27.581-112.509 66.451 -99.200 -91.000 TYR 99 0.840 30.943-115.423 64.763 -99.200 -91.000 PHE 108 1.000 21.617-104.434 66.070 -99.200 -91.000 TYR 115 0.840 24.616 -99.870 56.309 -99.200 -91.000 HIS 119 0.900 25.451 -95.368 54.357 -99.200 -91.000 TYR 122 0.840 32.911 -94.322 50.575 -99.200 -91.000 PHE 128 1.000 21.947 -94.707 57.077 -99.200 -91.000 PHE 134 1.000 21.530 -99.686 68.876 -99.200 -91.000 HIS 143 0.900 24.751-105.022 77.167 -99.200 -91.000 TYR 145 0.840 25.148 -99.986 73.076 -99.200 -91.000 TYR 153 0.840 28.495 -97.611 68.894 -99.200 -91.000 TRP 154 1.040 29.361 -91.961 73.097 -99.200 -91.000 TRP6 154 1.020 31.609 -92.694 73.145 -99.200 -91.000 TYR 156 0.840 23.490 -92.371 75.350 -99.200 -91.000 HIS 178 0.900 14.796 -87.783 92.200 -99.200 -91.000 TYR 196 0.840 0.364 -89.208 77.792 -99.200 -91.000 HIS 199 0.900 2.096 -84.369 72.242 -99.200 -91.000 PHE 207 1.000 0.912 -88.196 72.827 -99.200 -91.000 TRP 213 1.040 7.778-105.261 78.004 -99.200 -91.000 TRP6 213 1.020 7.226-105.467 80.295 -99.200 -91.000 HIS 223 0.900 10.948-105.346 70.762 -99.200 -91.000 PHE 225 1.000 6.084-103.687 68.998 -99.200 -91.000 PHE 237 1.000 3.277 -93.388 86.808 -99.200 -91.000