============================================================================= 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 -0.322 24.439 26.073 -99.200 -91.000 TYR 32 0.840 4.998 29.021 30.484 -99.200 -91.000 PHE 34 1.000 2.078 28.843 24.706 -99.200 -91.000 TRP 36 1.040 0.708 31.514 16.624 -99.200 -91.000 TRP6 36 1.020 2.278 30.140 15.503 -99.200 -91.000 TRP 47 1.040 0.999 40.909 19.195 -99.200 -91.000 TRP6 47 1.020 -1.354 40.980 19.345 -99.200 -91.000 HIS 59 0.900 -8.065 39.010 23.609 -99.200 -91.000 TYR 60 0.840 -7.515 35.817 16.326 -99.200 -91.000 HIS 63 0.900 -5.003 47.260 9.040 -99.200 -91.000 TYR 80 0.840 -2.577 22.721 16.706 -99.200 -91.000 TYR 94 0.840 2.858 33.366 8.879 -99.200 -91.000 PHE 95 1.000 10.481 34.097 13.827 -99.200 -91.000 TYR 100 0.840 4.854 31.191 35.587 -99.200 -91.000 TYR 109 0.840 -3.292 34.763 32.750 -99.200 -91.000 PHE 113 1.000 7.252 40.114 29.680 -99.200 -91.000 HIS 116 0.900 10.560 30.904 27.820 -99.200 -91.000 TRP 117 1.040 10.568 35.217 20.908 -99.200 -91.000 TRP6 117 1.020 9.597 36.339 19.069 -99.200 -91.000 PHE 136 1.000 22.028 30.091 -17.440 -99.200 -91.000 TYR 159 0.840 16.332 29.709 -6.335 -99.200 -91.000 PHE 160 1.000 7.700 28.599 -5.684 -99.200 -91.000 TRP 168 1.040 31.828 29.544 -5.175 -99.200 -91.000 TRP6 168 1.020 32.079 29.732 -7.521 -99.200 -91.000 HIS 178 0.900 31.868 38.629 -0.613 -99.200 -91.000 PHE 180 1.000 26.316 39.620 -4.107 -99.200 -91.000 TYR 190 0.840 12.034 33.261 -4.226 -99.200 -91.000 TYR 208 0.840 39.467 28.670 -8.586 -99.200 -91.000 HIS 214 0.900 15.150 24.337 -5.692 -99.200 -91.000