============================================================================= 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 27 0.840 4.688 -14.704 30.813 -99.200 -91.000 PHE 29 1.000 7.616 -20.960 29.551 -99.200 -91.000 PHE 32 1.000 7.511 -12.775 35.000 -99.200 -91.000 TRP 33 1.040 9.603 -20.928 40.287 -99.200 -91.000 TRP6 33 1.020 10.710 -19.788 42.034 -99.200 -91.000 HIS 35 0.900 3.487 -21.020 41.900 -99.200 -91.000 TRP 36 1.040 1.525 -26.664 36.271 -99.200 -91.000 TRP6 36 1.020 0.089 -27.138 34.453 -99.200 -91.000 TRP 47 1.040 1.710 -24.805 44.836 -99.200 -91.000 TRP6 47 1.020 3.670 -25.957 45.483 -99.200 -91.000 HIS 50 0.900 7.941 -23.561 42.610 -99.200 -91.000 TYR 60 0.840 7.583 -32.155 40.782 -99.200 -91.000 PHE 64 1.000 -1.901 -33.166 44.679 -99.200 -91.000 TYR 80 0.840 3.847 -29.268 27.073 -99.200 -91.000 TYR 93 0.840 -5.764 -31.696 38.015 -99.200 -91.000 TYR 94 0.840 -8.451 -23.177 38.055 -99.200 -91.000 TYR 99 0.840 10.271 -10.827 39.416 -99.200 -91.000 TYR 102 0.840 13.551 -14.948 49.551 -99.200 -91.000 TYR 108 0.840 -1.309 -10.590 34.859 -99.200 -91.000 TRP 109 1.040 -4.560 -17.221 39.392 -99.200 -91.000 TRP6 109 1.020 -4.622 -19.201 40.684 -99.200 -91.000 TYR 128 0.840 -35.449 -35.310 23.555 -99.200 -91.000 TYR 151 0.840 -24.158 -33.229 27.974 -99.200 -91.000 PHE 152 1.000 -18.911 -39.784 29.961 -99.200 -91.000 TRP 160 1.040 -31.610 -20.197 24.428 -99.200 -91.000 TRP6 160 1.020 -33.716 -21.227 24.129 -99.200 -91.000 HIS 170 0.900 -32.520 -17.390 34.672 -99.200 -91.000 PHE 172 1.000 -32.153 -23.533 34.783 -99.200 -91.000 TYR 181 0.840 -21.869 -35.061 32.694 -99.200 -91.000 TRP 194 1.040 -41.965 -18.826 20.168 -99.200 -91.000 TRP6 194 1.020 -43.573 -20.397 20.894 -99.200 -91.000 HIS 205 0.900 -21.249 -34.299 23.450 -99.200 -91.000