============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 29 1.000 19.412 13.281 24.761 -99.200 -91.000 TYR 32 0.840 13.628 8.281 28.899 -99.200 -91.000 PHE 34 1.000 16.857 9.101 23.202 -99.200 -91.000 TRP 36 1.040 18.234 6.906 14.909 -99.200 -91.000 TRP6 36 1.020 16.730 8.404 13.858 -99.200 -91.000 TRP 47 1.040 18.007 -2.774 16.729 -99.200 -91.000 TRP6 47 1.020 20.365 -2.836 16.822 -99.200 -91.000 HIS 59 0.900 27.072 -1.211 21.249 -99.200 -91.000 TYR 60 0.840 26.469 2.627 14.472 -99.200 -91.000 HIS 63 0.900 24.581 -8.123 6.908 -99.200 -91.000 TYR 80 0.840 21.695 15.771 15.708 -99.200 -91.000 TYR 94 0.840 16.169 5.598 6.777 -99.200 -91.000 PHE 95 1.000 8.473 4.685 11.889 -99.200 -91.000 TYR 100 0.840 13.827 5.654 33.670 -99.200 -91.000 TYR 109 0.840 22.218 2.803 30.551 -99.200 -91.000 PHE 113 1.000 11.602 -2.372 27.195 -99.200 -91.000 HIS 116 0.900 8.760 6.825 26.031 -99.200 -91.000 TRP 117 1.040 8.287 3.233 18.789 -99.200 -91.000 TRP6 117 1.020 9.370 2.080 17.038 -99.200 -91.000 PHE 136 1.000 -2.533 11.732 -18.690 -99.200 -91.000 TYR 159 0.840 3.047 10.648 -7.770 -99.200 -91.000 PHE 160 1.000 11.727 11.680 -6.830 -99.200 -91.000 TRP 168 1.040 -12.442 10.908 -6.240 -99.200 -91.000 TRP6 168 1.020 -12.744 11.098 -8.579 -99.200 -91.000 HIS 178 0.900 -12.849 1.227 -3.111 -99.200 -91.000 PHE 180 1.000 -7.107 0.712 -6.557 -99.200 -91.000 TYR 190 0.840 7.281 6.912 -5.909 -99.200 -91.000 TYR 208 0.840 -20.031 12.169 -9.672 -99.200 -91.000 HIS 214 0.900 4.148 15.749 -6.020 -99.200 -91.000