============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 9 0.900 82.075 72.983 11.353 -99.200 -91.000 PHE 48 1.000 80.456 76.849 12.184 -99.200 -91.000 PHE 70 1.000 84.142 63.465 9.362 -99.200 -91.000 PHE 75 1.000 82.683 65.687 13.419 -99.200 -91.000 HIS 86 0.900 74.727 66.398 26.764 -99.200 -91.000 HIS 95 0.900 73.253 58.004 4.636 -99.200 -91.000 TYR 102 0.840 80.745 60.458 13.063 -99.200 -91.000 TYR 112 0.840 75.847 53.909 21.561 -99.200 -91.000 PHE 114 1.000 74.527 52.889 12.167 -99.200 -91.000 TYR 119 0.840 62.743 56.627 3.014 -99.200 -91.000 TYR 123 0.840 60.232 57.585 20.567 -99.200 -91.000 TYR 135 0.840 65.701 43.714 -1.851 -99.200 -91.000 PHE 145 1.000 66.192 51.497 15.564 -99.200 -91.000 PHE 160 1.000 62.690 63.378 8.948 -99.200 -91.000 TYR 188 0.840 87.671 71.626 2.730 -99.200 -91.000 PHE 204 1.000 64.180 73.612 -21.994 -99.200 -91.000 PHE 221 1.000 70.471 62.136 -26.191 -99.200 -91.000 TRP 243 1.040 82.130 59.622 -21.844 -99.200 -91.000 TRP6 243 1.020 80.437 57.975 -22.012 -99.200 -91.000 TYR 263 0.840 67.094 67.622 -14.480 -99.200 -91.000 HIS 274 0.900 70.580 63.157 -11.807 -99.200 -91.000 HIS 280 0.900 65.380 71.994 -7.190 -99.200 -91.000 PHE 296 1.000 59.434 56.784 -15.942 -99.200 -91.000 TYR 301 0.840 53.648 66.833 -18.140 -99.200 -91.000 PHE 308 1.000 70.329 56.301 -27.732 -99.200 -91.000