============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 7 1.000 28.369 -20.348 44.274 -99.200 -91.000 HIS 8 0.900 34.083 -25.525 48.731 -99.200 -91.000 TYR 24 0.840 44.285 -5.639 34.523 -99.200 -91.000 TYR 27 0.840 40.928 1.409 34.346 -99.200 -91.000 TYR 29 0.840 40.727 -5.853 25.384 -99.200 -91.000 TYR 34 0.840 38.463 6.962 25.096 -99.200 -91.000 TYR 35 0.840 48.824 4.276 21.995 -99.200 -91.000 PHE 36 1.000 45.881 1.669 19.171 -99.200 -91.000 PHE 46 1.000 45.227 -0.969 14.956 -99.200 -91.000 TYR 49 0.840 39.685 -5.560 17.799 -99.200 -91.000 PHE 50 1.000 42.960 -2.810 20.817 -99.200 -91.000 HIS 52 0.900 32.310 -4.938 20.160 -99.200 -91.000 HIS 60 0.900 33.857 -11.394 28.360 -99.200 -91.000 TRP 88 1.040 47.798 0.742 25.977 -99.200 -91.000 TRP6 88 1.020 48.341 -1.190 27.252 -99.200 -91.000 HIS 93 0.900 53.769 -3.335 23.369 -99.200 -91.000 HIS 113 0.900 35.460 -26.623 33.321 -99.200 -91.000 HIS 123 0.900 24.543 -22.930 37.269 -99.200 -91.000 PHE 127 1.000 28.576 -18.119 34.173 -99.200 -91.000 TYR 131 0.840 26.208 -18.090 29.162 -99.200 -91.000 TYR 132 0.840 32.360 -15.905 31.440 -99.200 -91.000 HIS 146 0.900 42.515 -8.830 14.168 -99.200 -91.000 HIS 148 0.900 50.767 -14.035 9.768 -99.200 -91.000 TYR 163 0.840 45.854 5.184 6.405 -99.200 -91.000 PHE 165 1.000 45.078 -5.452 11.290 -99.200 -91.000 HIS 168 0.900 42.377 -1.829 3.154 -99.200 -91.000