============================================================================= 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 1 1.000 -24.737 -10.356 43.658 -99.200 -91.000 HIS 19 0.900 -23.256 -16.093 60.619 -99.200 -91.000 HIS 50 0.900 -3.514 -2.893 49.995 -99.200 -91.000 TYR 53 0.840 -11.705 1.109 56.174 -99.200 -91.000 PHE 63 1.000 -14.507 -0.003 48.531 -99.200 -91.000 PHE 71 1.000 -17.596 2.502 55.622 -99.200 -91.000 HIS 76 0.900 -6.324 4.623 65.139 -99.200 -91.000 TYR 77 0.840 -11.230 1.666 70.778 -99.200 -91.000 HIS 86 0.900 -15.620 5.186 59.437 -99.200 -91.000 HIS 100 0.900 -28.153 -1.918 49.592 -99.200 -91.000 TYR 103 0.840 -20.885 3.145 59.013 -99.200 -91.000 TYR 106 0.840 -23.569 3.348 70.074 -99.200 -91.000 PHE 108 1.000 -32.507 2.637 69.928 -99.200 -91.000 HIS 118 0.900 -20.672 13.444 68.938 -99.200 -91.000 HIS 120 0.900 -20.136 4.060 64.422 -99.200 -91.000 TYR 125 0.840 -26.532 13.549 58.755 -99.200 -91.000 TYR 134 0.840 -29.855 4.892 53.561 -99.200 -91.000 PHE 136 1.000 -27.114 4.936 56.887 -99.200 -91.000 TYR 142 0.840 -19.009 -5.241 68.322 -99.200 -91.000 PHE 145 1.000 -16.081 -2.542 75.846 -99.200 -91.000 PHE 146 1.000 -20.379 -4.187 78.090 -99.200 -91.000 HIS 190 0.900 -33.433 -6.229 54.660 -99.200 -91.000 TYR 195 0.840 -33.443 -2.943 58.934 -99.200 -91.000 TRP 203 1.040 -26.769 -8.165 79.308 -99.200 -91.000 TRP6 203 1.020 -24.753 -7.422 80.317 -99.200 -91.000 PHE 205 1.000 -22.083 -4.383 83.509 -99.200 -91.000 HIS 222 0.900 -22.418 -4.011 89.080 -99.200 -91.000 PHE 227 1.000 -15.211 8.533 83.940 -99.200 -91.000 PHE 233 1.000 -10.750 -3.212 89.192 -99.200 -91.000 PHE 242 1.000 -10.108 -0.948 76.122 -99.200 -91.000 TYR 250 0.840 -17.921 -0.860 82.641 -99.200 -91.000