============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 27 1.000 34.098 40.720 52.683 -99.200 -91.000 PHE 29 1.000 29.956 41.504 57.292 -99.200 -91.000 TYR 32 0.840 36.241 46.005 52.778 -99.200 -91.000 TRP 36 1.040 20.665 43.523 51.747 -99.200 -91.000 TRP6 36 1.020 20.606 41.234 51.151 -99.200 -91.000 TRP 47 1.040 21.920 52.059 47.723 -99.200 -91.000 TRP6 47 1.020 20.954 53.883 48.886 -99.200 -91.000 TYR 57 0.840 27.376 57.567 61.029 -99.200 -91.000 TYR 59 0.840 24.397 56.258 54.900 -99.200 -91.000 TYR 60 0.840 17.148 51.955 55.602 -99.200 -91.000 PHE 68 1.000 12.579 46.899 51.392 -99.200 -91.000 TYR 80 0.840 21.142 38.710 59.687 -99.200 -91.000 TYR 93 0.840 14.947 42.467 46.826 -99.200 -91.000 TYR 94 0.840 21.928 40.460 41.838 -99.200 -91.000 HIS 98 0.900 28.398 50.537 49.464 -99.200 -91.000 TRP 103 1.040 27.575 56.680 51.235 -99.200 -91.000 TRP6 103 1.020 27.776 57.777 49.155 -99.200 -91.000 TYR 105 0.840 34.495 51.796 44.364 -99.200 -91.000 PHE 106 1.000 26.461 49.226 44.906 -99.200 -91.000 TYR 108 0.840 35.155 41.496 45.397 -99.200 -91.000 TRP 109 1.040 27.929 43.659 42.294 -99.200 -91.000 TRP6 109 1.020 25.826 44.684 41.978 -99.200 -91.000 TYR 128 0.840 -0.958 19.198 29.378 -99.200 -91.000 TYR 145 0.840 5.935 27.173 35.742 -99.200 -91.000 PHE 146 1.000 3.007 32.574 41.326 -99.200 -91.000 TRP 154 1.040 14.611 18.449 26.500 -99.200 -91.000 TRP6 154 1.020 12.529 17.624 25.737 -99.200 -91.000 HIS 164 0.900 17.111 26.423 20.708 -99.200 -91.000 PHE 166 1.000 11.669 28.148 22.964 -99.200 -91.000 TYR 175 0.840 5.689 33.012 36.599 -99.200 -91.000 TRP 188 1.040 11.164 9.930 19.123 -99.200 -91.000 TRP6 188 1.020 9.429 10.732 17.741 -99.200 -91.000 HIS 199 0.900 6.828 24.489 40.990 -99.200 -91.000