============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 4 1.000 -4.537 22.261 9.277 -99.200 -91.000 HIS 5 0.900 -4.195 29.795 11.151 -99.200 -91.000 TYR 12 0.840 1.215 22.604 13.829 -99.200 -91.000 HIS 42 0.900 16.090 14.940 -3.139 -99.200 -91.000 HIS 45 0.900 13.681 14.912 0.307 -99.200 -91.000 PHE 65 1.000 15.012 14.644 14.885 -99.200 -91.000 PHE 71 1.000 22.879 11.630 10.036 -99.200 -91.000 TYR 80 0.840 21.107 15.132 5.666 -99.200 -91.000 PHE 100 1.000 6.932 16.498 14.558 -99.200 -91.000 TYR 108 0.840 16.306 10.587 19.537 -99.200 -91.000 HIS 133 0.900 22.014 4.572 8.738 -99.200 -91.000 PHE 134 1.000 19.487 0.511 7.153 -99.200 -91.000 PHE 154 1.000 2.443 8.557 0.633 -99.200 -91.000 PHE 155 1.000 9.879 5.969 4.917 -99.200 -91.000 TYR 160 0.840 14.130 -2.288 -2.677 -99.200 -91.000 PHE 173 1.000 8.462 -3.329 16.745 -99.200 -91.000 TYR 199 0.840 27.780 17.499 0.499 -99.200 -91.000 HIS 220 0.900 16.857 -2.494 -20.514 -99.200 -91.000 TYR 247 0.840 26.037 -2.274 -1.289 -99.200 -91.000