============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 15 0.840 -24.712 64.914 -11.570 -99.200 -91.000 TYR 19 0.840 -29.315 82.321 -8.829 -99.200 -91.000 HIS 22 0.900 -34.487 82.209 -9.070 -99.200 -91.000 PHE 46 1.000 -15.043 72.297 -27.004 -99.200 -91.000 PHE 55 1.000 -17.670 70.097 -19.819 -99.200 -91.000 PHE 60 1.000 -12.230 71.483 -6.223 -99.200 -91.000 PHE 85 1.000 -20.321 64.751 -10.150 -99.200 -91.000 HIS 88 0.900 -18.747 57.880 -12.943 -99.200 -91.000 PHE 96 1.000 -22.787 60.867 -24.087 -99.200 -91.000 TYR 97 0.840 -17.314 63.684 -28.679 -99.200 -91.000 PHE 112 1.000 -11.102 85.033 -4.674 -99.200 -91.000 HIS 122 0.900 -1.815 78.813 5.539 -99.200 -91.000 TYR 126 0.840 -7.169 73.839 -1.461 -99.200 -91.000 HIS 141 0.900 -10.802 61.319 -18.582 -99.200 -91.000 PHE 145 1.000 -4.510 78.760 -16.910 -99.200 -91.000 PHE 153 1.000 -1.278 88.403 -16.289 -99.200 -91.000 HIS 160 0.900 2.792 83.987 -5.125 -99.200 -91.000 TYR 171 0.840 -7.836 89.586 -18.968 -99.200 -91.000 TYR 192 0.840 -22.841 92.951 -1.738 -99.200 -91.000 PHE 198 1.000 -20.111 81.554 -0.179 -99.200 -91.000 TYR 200 0.840 -21.510 87.383 9.883 -99.200 -91.000 TYR 208 0.840 -15.306 88.536 15.428 -99.200 -91.000 TYR 224 0.840 -20.029 96.227 -3.029 -99.200 -91.000 TRP 231 1.040 -18.403 88.679 -11.743 -99.200 -91.000 TRP6 231 1.020 -19.852 90.551 -11.633 -99.200 -91.000 TRP 233 1.040 -9.501 82.541 -12.192 -99.200 -91.000 TRP6 233 1.020 -7.389 82.455 -13.274 -99.200 -91.000 PHE 241 1.000 -7.826 77.623 -20.702 -99.200 -91.000 HIS 250 0.900 -19.971 81.634 -7.194 -99.200 -91.000 PHE 259 1.000 -25.109 73.354 -16.124 -99.200 -91.000 HIS 262 0.900 -25.330 71.325 -6.061 -99.200 -91.000 TRP 270 1.040 -25.759 80.530 -2.966 -99.200 -91.000 TRP6 270 1.020 -24.672 81.897 -4.562 -99.200 -91.000 TRP 274 1.040 -13.683 76.402 -1.896 -99.200 -91.000 TRP6 274 1.020 -14.371 75.196 -3.823 -99.200 -91.000 HIS 275 0.900 -16.032 78.773 1.650 -99.200 -91.000 PHE 285 1.000 -18.111 59.823 2.570 -99.200 -91.000 HIS 309 0.900 -14.564 60.314 6.305 -99.200 -91.000 TYR 310 0.840 -16.695 66.109 11.762 -99.200 -91.000