============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 4 0.900 23.863 25.000 39.673 -99.200 -91.000 PHE 17 1.000 13.096 6.059 36.101 -99.200 -91.000 TYR 22 0.840 8.572 -4.135 41.679 -99.200 -91.000 PHE 37 1.000 -12.136 1.168 36.586 -99.200 -91.000 TYR 56 0.840 -12.254 2.702 31.046 -99.200 -91.000 TYR 57 0.840 -10.369 11.207 31.904 -99.200 -91.000 TRP 62 1.040 2.908 1.120 41.123 -99.200 -91.000 TRP6 62 1.020 1.801 1.913 39.191 -99.200 -91.000 TRP 69 1.040 13.544 11.681 45.326 -99.200 -91.000 TRP6 69 1.020 11.706 10.975 44.026 -99.200 -91.000 TYR 74 0.840 18.786 12.310 44.202 -99.200 -91.000 PHE 80 1.000 10.818 10.955 38.779 -99.200 -91.000 TRP 88 1.040 6.247 -4.068 37.186 -99.200 -91.000 TRP6 88 1.020 4.375 -3.711 38.577 -99.200 -91.000 TYR 95 0.840 -9.834 -10.227 34.890 -99.200 -91.000 HIS 113 0.900 8.993 12.616 49.514 -99.200 -91.000 PHE 119 1.000 -0.257 4.766 33.249 -99.200 -91.000 PHE 127 1.000 -18.381 -2.972 28.741 -99.200 -91.000 PHE 146 1.000 -11.958 -2.480 34.044 -99.200 -91.000 TRP 149 1.040 -3.968 -12.631 31.104 -99.200 -91.000 TRP6 149 1.020 -6.278 -12.744 30.660 -99.200 -91.000 TYR 151 0.840 2.450 -10.401 38.914 -99.200 -91.000 PHE 154 1.000 -2.316 -15.765 49.281 -99.200 -91.000 TYR 170 0.840 -21.958 9.795 31.048 -99.200 -91.000 TYR 171 0.840 -21.047 15.020 25.436 -99.200 -91.000 TYR 176 0.840 -26.569 4.765 24.720 -99.200 -91.000 HIS 189 0.900 -10.275 -18.337 47.694 -99.200 -91.000 TYR 190 0.840 -10.479 -18.652 39.134 -99.200 -91.000 TYR 197 0.840 -5.993 -16.531 41.408 -99.200 -91.000 PHE 206 1.000 -26.005 1.213 29.172 -99.200 -91.000