============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 3 1.000 -19.140 -1.879 5.712 -99.200 -91.000 TYR 11 0.840 -34.609 -1.529 7.710 -99.200 -91.000 TYR 12 0.840 -32.666 1.270 1.161 -99.200 -91.000 PHE 23 1.000 -14.916 -10.456 -9.288 -99.200 -91.000 TYR 38 0.840 -31.269 6.915 -1.251 -99.200 -91.000 PHE 42 1.000 -27.871 -5.580 -4.167 -99.200 -91.000 HIS 72 0.900 -17.718 19.214 -6.137 -99.200 -91.000 HIS 79 0.900 -29.466 7.393 2.564 -99.200 -91.000 TYR 82 0.840 -28.953 -1.699 4.911 -99.200 -91.000 PHE 101 1.000 -19.751 3.232 -23.905 -99.200 -91.000 PHE 103 1.000 -25.663 13.456 -23.961 -99.200 -91.000 PHE 118 1.000 -21.674 16.169 -21.341 -99.200 -91.000 TYR 127 0.840 -9.667 22.850 -7.047 -99.200 -91.000 TYR 128 0.840 -15.030 17.249 -2.646 -99.200 -91.000 HIS 130 0.900 -6.659 14.879 -8.817 -99.200 -91.000 HIS 136 0.900 -12.757 7.692 -10.434 -99.200 -91.000 PHE 137 1.000 -4.680 5.922 -8.766 -99.200 -91.000 PHE 161 1.000 -15.539 8.221 -6.136 -99.200 -91.000 HIS 165 0.900 -5.913 2.496 -4.134 -99.200 -91.000 PHE 169 1.000 3.205 8.117 3.302 -99.200 -91.000 PHE 173 1.000 5.644 -0.097 -6.827 -99.200 -91.000 PHE 177 1.000 -2.591 -1.970 -16.401 -99.200 -91.000 PHE 182 1.000 -11.297 5.608 -21.476 -99.200 -91.000 TYR 190 0.840 2.198 -3.723 -14.460 -99.200 -91.000 TRP 200 1.040 -2.930 9.135 -20.157 -99.200 -91.000 TRP6 200 1.020 -0.976 9.523 -21.456 -99.200 -91.000 TYR 207 0.840 -7.838 12.172 -29.717 -99.200 -91.000 PHE 216 1.000 -2.687 7.681 -26.027 -99.200 -91.000 TYR 233 0.840 -1.730 12.562 -28.451 -99.200 -91.000 PHE 235 1.000 -4.524 16.820 -30.845 -99.200 -91.000 TYR 239 0.840 -12.176 10.806 -36.768 -99.200 -91.000 PHE 240 1.000 -9.146 15.821 -32.500 -99.200 -91.000 PHE 250 1.000 -7.921 20.916 -20.952 -99.200 -91.000 HIS 271 0.900 -5.288 25.282 -21.763 -99.200 -91.000 TRP 273 1.040 -10.815 24.763 -25.125 -99.200 -91.000 TRP6 273 1.020 -11.325 22.524 -24.568 -99.200 -91.000 PHE 279 1.000 -2.291 -9.080 -17.667 -99.200 -91.000