============================================================================= 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. PHE 6 1.000 25.376 17.304 28.143 -99.200 -91.000 HIS 23 0.900 11.994 -12.997 40.347 -99.200 -91.000 PHE 25 1.000 14.306 -4.895 38.096 -99.200 -91.000 TYR 37 0.840 35.643 19.557 36.612 -99.200 -91.000 PHE 44 1.000 21.463 4.875 39.660 -99.200 -91.000 TRP 55 1.040 21.292 -2.388 44.254 -99.200 -91.000 TRP6 55 1.020 19.962 -0.814 43.097 -99.200 -91.000 PHE 66 1.000 25.506 14.371 32.485 -99.200 -91.000 TYR 69 0.840 33.711 12.044 23.785 -99.200 -91.000 HIS 72 0.900 42.945 14.974 22.074 -99.200 -91.000 HIS 76 0.900 36.681 11.919 16.698 -99.200 -91.000 PHE 78 1.000 25.199 9.552 18.811 -99.200 -91.000 PHE 79 1.000 27.683 8.409 23.938 -99.200 -91.000 TYR 87 0.840 22.244 9.182 24.100 -99.200 -91.000 PHE 95 1.000 24.265 -10.301 33.011 -99.200 -91.000 TYR 101 0.840 20.093 -7.843 33.218 -99.200 -91.000 PHE 109 1.000 20.019 18.361 28.706 -99.200 -91.000 PHE 125 1.000 19.448 -13.055 33.530 -99.200 -91.000 HIS 134 0.900 20.215 -11.091 44.548 -99.200 -91.000 TYR 138 0.840 27.023 -2.176 46.465 -99.200 -91.000 TYR 140 0.840 30.982 -1.179 36.714 -99.200 -91.000 HIS 143 0.900 35.234 -4.019 32.699 -99.200 -91.000 TYR 146 0.840 37.628 -1.013 23.702 -99.200 -91.000 PHE 160 1.000 30.190 -1.817 27.351 -99.200 -91.000 HIS 164 0.900 28.646 -7.502 36.339 -99.200 -91.000 HIS 176 0.900 27.365 -4.686 29.148 -99.200 -91.000 TYR 177 0.840 25.795 -4.899 18.714 -99.200 -91.000 HIS 194 0.900 35.239 7.814 20.559 -99.200 -91.000 TYR 195 0.840 40.304 3.783 25.203 -99.200 -91.000 HIS 212 0.900 21.077 2.406 49.707 -99.200 -91.000 PHE 218 1.000 35.682 10.645 39.024 -99.200 -91.000