============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 6 1.000 13.472 -8.130 12.403 -99.200 -91.000 PHE 27 1.000 7.877 -20.119 7.660 -99.200 -91.000 PHE 30 1.000 15.870 -12.160 6.379 -99.200 -91.000 TRP 31 1.040 9.368 -11.290 0.947 -99.200 -91.000 TRP6 31 1.020 8.267 -10.183 -0.818 -99.200 -91.000 TRP 34 1.040 14.545 -9.831 -7.023 -99.200 -91.000 TRP6 34 1.020 16.171 -11.484 -6.661 -99.200 -91.000 PHE 42 1.000 5.735 -14.409 -0.363 -99.200 -91.000 TYR 44 0.840 3.544 -24.681 -2.290 -99.200 -91.000 TYR 48 0.840 -0.632 -15.854 9.077 -99.200 -91.000 HIS 50 0.900 -3.596 -26.535 10.724 -99.200 -91.000 PHE 51 1.000 1.055 -24.845 11.603 -99.200 -91.000 HIS 71 0.900 -0.805 -2.561 -3.081 -99.200 -91.000 PHE 73 1.000 5.724 -11.492 -4.450 -99.200 -91.000 TYR 76 0.840 3.046 -14.435 -6.282 -99.200 -91.000 PHE 80 1.000 2.557 -14.319 4.227 -99.200 -91.000 TYR 94 0.840 17.863 -12.385 11.602 -99.200 -91.000 PHE 103 1.000 17.744 -16.701 9.416 -99.200 -91.000 HIS 123 0.900 1.150 -29.297 8.964 -99.200 -91.000 TYR 125 0.840 10.907 -26.469 7.460 -99.200 -91.000