============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 6 0.840 -12.368 -1.817 -19.107 -99.200 -91.000 TYR 15 0.840 -10.915 -7.052 -11.870 -99.200 -91.000 PHE 17 1.000 -16.484 -6.338 -7.759 -99.200 -91.000 TYR 37 0.840 -19.944 14.621 -1.294 -99.200 -91.000 TYR 45 0.840 -20.390 7.580 -12.494 -99.200 -91.000 PHE 46 1.000 -23.769 7.178 -7.804 -99.200 -91.000 TYR 98 0.840 -15.795 9.058 8.442 -99.200 -91.000 PHE 99 1.000 -14.819 15.641 2.378 -99.200 -91.000 PHE 107 1.000 -3.843 9.213 5.485 -99.200 -91.000 HIS 116 0.900 -11.711 3.619 17.238 -99.200 -91.000 HIS 120 0.900 -21.947 8.860 10.011 -99.200 -91.000 TRP 129 1.040 -6.619 11.161 -0.193 -99.200 -91.000 TRP6 129 1.020 -6.025 13.335 -0.904 -99.200 -91.000 TRP 136 1.040 3.809 8.444 5.412 -99.200 -91.000 TRP6 136 1.020 1.705 9.301 6.054 -99.200 -91.000 PHE 148 1.000 -4.003 2.106 8.743 -99.200 -91.000 TYR 176 0.840 14.518 -0.188 -6.979 -99.200 -91.000 HIS 177 0.900 12.436 5.151 -1.254 -99.200 -91.000 PHE 180 1.000 1.642 3.731 7.164 -99.200 -91.000 TYR 186 0.840 -2.073 -5.302 12.215 -99.200 -91.000 TRP 208 1.040 -0.833 2.290 -14.651 -99.200 -91.000 TRP6 208 1.020 -1.058 3.624 -12.712 -99.200 -91.000 PHE 225 1.000 4.731 -1.187 8.829 -99.200 -91.000 TRP 230 1.040 -0.656 -12.131 7.692 -99.200 -91.000 TRP6 230 1.020 -0.459 -10.788 5.741 -99.200 -91.000 TYR 263 0.840 -11.778 2.011 -12.713 -99.200 -91.000 PHE 284 1.000 -10.028 -5.246 -6.056 -99.200 -91.000 TYR 301 0.840 -5.382 -8.421 9.223 -99.200 -91.000 TYR 307 0.840 -0.975 -12.663 1.098 -99.200 -91.000 PHE 314 1.000 -6.731 -13.817 -4.532 -99.200 -91.000 HIS 315 0.900 -6.338 -13.066 -14.750 -99.200 -91.000 TYR 331 0.840 10.762 -4.845 -5.784 -99.200 -91.000 TRP 337 1.040 2.262 -11.332 -3.022 -99.200 -91.000 TRP6 337 1.020 4.326 -10.140 -3.032 -99.200 -91.000