============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 32 1.000 40.425 18.235 19.092 -99.200 -91.000 HIS 40 0.900 50.005 18.275 15.179 -99.200 -91.000 HIS 48 0.900 54.114 26.102 4.505 -99.200 -91.000 TYR 54 0.840 49.966 40.699 -0.444 -99.200 -91.000 TYR 65 0.840 38.231 16.898 22.802 -99.200 -91.000 PHE 80 1.000 31.192 8.113 15.004 -99.200 -91.000 HIS 100 0.900 37.420 18.011 26.780 -99.200 -91.000 PHE 109 1.000 28.839 33.309 17.970 -99.200 -91.000 HIS 125 0.900 22.067 26.661 25.131 -99.200 -91.000 HIS 127 0.900 25.084 17.432 26.069 -99.200 -91.000 TYR 149 0.840 25.542 30.725 -8.601 -99.200 -91.000 TYR 150 0.840 20.995 26.195 -7.454 -99.200 -91.000 HIS 165 0.900 14.734 36.120 5.073 -99.200 -91.000 HIS 170 0.900 21.596 22.326 6.692 -99.200 -91.000 TYR 180 0.840 8.936 36.727 4.687 -99.200 -91.000 PHE 190 1.000 13.079 41.287 -10.785 -99.200 -91.000 PHE 205 1.000 10.649 28.038 -4.507 -99.200 -91.000 HIS 219 0.900 30.041 9.319 -8.983 -99.200 -91.000 TYR 223 0.840 35.309 19.573 0.013 -99.200 -91.000 TYR 237 0.840 31.491 36.586 18.587 -99.200 -91.000 TYR 255 0.840 9.492 31.855 13.266 -99.200 -91.000 HIS 257 0.900 7.226 25.248 17.110 -99.200 -91.000 PHE 261 1.000 19.664 26.050 20.248 -99.200 -91.000 PHE 289 1.000 9.813 27.907 12.220 -99.200 -91.000