============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 7 0.840 20.025 33.040 24.216 -99.200 -91.000 TRP 10 1.040 19.916 35.515 29.165 -99.200 -91.000 TRP6 10 1.020 21.823 34.128 29.292 -99.200 -91.000 TYR 13 0.840 13.306 38.170 32.737 -99.200 -91.000 PHE 20 1.000 15.888 29.179 50.692 -99.200 -91.000 TYR 24 0.840 11.953 19.804 53.507 -99.200 -91.000 TYR 40 0.840 25.724 15.023 46.778 -99.200 -91.000 PHE 57 1.000 29.962 31.184 38.939 -99.200 -91.000 TRP 61 1.040 35.225 33.016 41.791 -99.200 -91.000 TRP6 61 1.020 36.746 34.810 41.560 -99.200 -91.000 TRP 63 1.040 32.454 29.620 46.246 -99.200 -91.000 TRP6 63 1.020 30.310 29.161 45.387 -99.200 -91.000 TYR 73 0.840 15.935 8.464 34.664 -99.200 -91.000 PHE 74 1.000 18.907 5.416 38.501 -99.200 -91.000 TYR 87 0.840 11.660 27.467 32.254 -99.200 -91.000 TYR 96 0.840 13.179 7.936 38.540 -99.200 -91.000 TYR 100 0.840 19.024 8.769 47.185 -99.200 -91.000 HIS 146 0.900 20.158 36.340 45.421 -99.200 -91.000 TYR 152 0.840 26.703 25.625 51.766 -99.200 -91.000 HIS 171 0.900 29.065 39.866 14.084 -99.200 -91.000 PHE 177 1.000 31.245 26.773 18.747 -99.200 -91.000 TYR 194 0.840 30.457 18.681 28.988 -99.200 -91.000 PHE 200 1.000 27.583 27.858 18.836 -99.200 -91.000 HIS 217 0.900 46.940 19.007 28.108 -99.200 -91.000 HIS 218 0.900 47.235 12.645 31.541 -99.200 -91.000 TRP 220 1.040 40.943 16.132 22.020 -99.200 -91.000 TRP6 220 1.020 42.261 18.040 22.432 -99.200 -91.000 HIS 235 0.900 38.593 36.391 37.207 -99.200 -91.000 HIS 240 0.900 42.189 23.611 36.611 -99.200 -91.000 TYR 256 0.840 36.456 32.618 21.270 -99.200 -91.000 HIS 261 0.900 33.446 38.812 37.068 -99.200 -91.000 PHE 268 1.000 32.229 32.733 26.550 -99.200 -91.000