============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 20 0.900 -30.168 12.804 -68.071 -99.200 -91.000 PHE 22 1.000 -24.844 9.352 -64.425 -99.200 -91.000 PHE 33 1.000 2.644 -0.197 -51.675 -99.200 -91.000 PHE 51 1.000 -25.550 14.465 -63.014 -99.200 -91.000 TYR 53 0.840 -17.897 14.548 -64.113 -99.200 -91.000 PHE 60 1.000 -16.629 8.815 -62.051 -99.200 -91.000 PHE 64 1.000 -5.053 3.564 -56.735 -99.200 -91.000 TYR 67 0.840 -4.689 2.959 -44.404 -99.200 -91.000 TYR 74 0.840 -11.659 -3.971 -44.487 -99.200 -91.000 PHE 75 1.000 -9.965 0.602 -47.409 -99.200 -91.000 PHE 79 1.000 -7.528 -4.980 -54.147 -99.200 -91.000 TYR 83 0.840 -11.979 -1.981 -51.501 -99.200 -91.000 TRP 85 1.040 -16.463 2.044 -52.630 -99.200 -91.000 TRP6 85 1.020 -18.191 3.433 -53.513 -99.200 -91.000 TYR 91 0.840 -24.864 16.075 -51.966 -99.200 -91.000 TYR 110 0.840 -5.927 -1.761 -57.620 -99.200 -91.000 PHE 116 1.000 -23.870 9.250 -57.899 -99.200 -91.000 PHE 121 1.000 -28.843 15.656 -55.614 -99.200 -91.000 TRP 135 1.040 -16.637 17.225 -53.706 -99.200 -91.000 TRP6 135 1.020 -18.463 17.011 -52.195 -99.200 -91.000 TYR 143 0.840 -17.968 3.424 -37.249 -99.200 -91.000 TYR 155 0.840 -16.315 13.586 -47.046 -99.200 -91.000 HIS 164 0.900 -17.488 26.393 -47.851 -99.200 -91.000 TYR 165 0.840 -25.475 21.127 -51.814 -99.200 -91.000 PHE 169 1.000 -19.601 11.779 -49.768 -99.200 -91.000 TYR 173 0.840 -14.680 2.118 -47.327 -99.200 -91.000 TYR 184 0.840 -12.520 6.770 -34.714 -99.200 -91.000 HIS 185 0.900 -8.058 3.873 -40.072 -99.200 -91.000 HIS 189 0.900 -10.294 10.719 -48.444 -99.200 -91.000 HIS 190 0.900 -6.776 18.739 -53.132 -99.200 -91.000 HIS 196 0.900 -14.566 21.707 -66.649 -99.200 -91.000 TYR 200 0.840 -17.808 20.040 -65.648 -99.200 -91.000 HIS 206 0.900 -3.708 13.983 -58.144 -99.200 -91.000 HIS 208 0.900 -1.566 13.001 -51.315 -99.200 -91.000 HIS 212 0.900 -5.323 12.158 -40.015 -99.200 -91.000