============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 1 1.000 -6.627 -34.270 -32.596 -99.200 -91.000 TYR 10 0.840 -11.478 -13.535 -32.498 -99.200 -91.000 TRP 29 1.040 4.712 -17.497 -12.008 -99.200 -91.000 TRP6 29 1.020 4.769 -15.968 -10.194 -99.200 -91.000 TRP 35 1.040 -5.906 -7.778 -13.491 -99.200 -91.000 TRP6 35 1.020 -6.548 -6.618 -11.505 -99.200 -91.000 PHE 39 1.000 -11.954 -12.942 -19.061 -99.200 -91.000 PHE 48 1.000 -10.520 -24.124 -20.654 -99.200 -91.000 PHE 60 1.000 -14.475 -29.028 2.991 -99.200 -91.000 TYR 65 0.840 -19.307 -20.436 8.619 -99.200 -91.000 PHE 68 1.000 -22.705 -17.820 5.736 -99.200 -91.000 PHE 72 1.000 -20.846 -21.652 -3.035 -99.200 -91.000 HIS 79 0.900 -23.951 -14.218 -11.863 -99.200 -91.000 PHE 80 1.000 -17.845 -22.503 -10.706 -99.200 -91.000 HIS 84 0.900 -17.633 -24.330 -20.357 -99.200 -91.000 HIS 87 0.900 -20.248 -34.410 -9.346 -99.200 -91.000 TYR 88 0.840 -22.931 -26.493 -7.976 -99.200 -91.000 TYR 89 0.840 -17.358 -33.471 -6.386 -99.200 -91.000 PHE 91 1.000 -15.904 -32.513 0.625 -99.200 -91.000 TYR 117 0.840 -11.680 -31.928 13.043 -99.200 -91.000 PHE 135 1.000 -12.794 -34.416 -5.254 -99.200 -91.000 TYR 141 0.840 -9.060 -27.667 -15.828 -99.200 -91.000 PHE 151 1.000 -19.793 -18.280 -7.622 -99.200 -91.000 HIS 154 0.900 -17.710 -15.469 -17.242 -99.200 -91.000 PHE 164 1.000 -8.133 -21.354 -9.755 -99.200 -91.000 HIS 168 0.900 -6.820 -11.147 1.892 -99.200 -91.000 PHE 171 1.000 -3.475 -8.401 3.710 -99.200 -91.000 TYR 172 0.840 -5.979 -4.493 -4.678 -99.200 -91.000 PHE 179 1.000 2.227 -9.543 0.058 -99.200 -91.000 TYR 181 0.840 3.799 -14.132 2.311 -99.200 -91.000 TYR 190 0.840 10.773 -18.123 8.158 -99.200 -91.000 PHE 198 1.000 1.478 -11.631 -7.498 -99.200 -91.000 TYR 199 0.840 -1.809 -13.217 2.738 -99.200 -91.000 TYR 200 0.840 -0.653 -16.521 -4.613 -99.200 -91.000 PHE 204 1.000 -12.258 -18.685 -7.082 -99.200 -91.000 PHE 205 1.000 -7.317 -24.271 -2.470 -99.200 -91.000 HIS 220 0.900 -3.603 -33.927 6.429 -99.200 -91.000 TRP 235 1.040 -3.783 -14.381 9.130 -99.200 -91.000 TRP6 235 1.020 -5.924 -13.907 10.040 -99.200 -91.000 HIS 236 0.900 -5.992 -20.161 11.650 -99.200 -91.000 HIS 240 0.900 0.625 -24.786 6.942 -99.200 -91.000 TYR 244 0.840 1.777 -26.690 -3.398 -99.200 -91.000 HIS 248 0.900 5.351 -26.738 -4.842 -99.200 -91.000 TYR 258 0.840 -12.051 -14.067 -11.549 -99.200 -91.000 TRP 260 1.040 -14.240 -5.987 -3.668 -99.200 -91.000 TRP6 260 1.020 -11.944 -5.371 -3.712 -99.200 -91.000 TRP 267 1.040 -17.005 -1.703 -8.404 -99.200 -91.000 TRP6 267 1.020 -19.157 -2.501 -9.005 -99.200 -91.000 PHE 276 1.000 -16.883 -17.080 -4.745 -99.200 -91.000 HIS 283 0.900 -16.059 -12.112 10.625 -99.200 -91.000