============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 4 0.900 24.011 -5.696 60.800 -99.200 -91.000 TYR 6 0.840 20.302 2.007 64.186 -99.200 -91.000 TYR 9 0.840 8.315 3.013 62.410 -99.200 -91.000 PHE 25 1.000 8.690 -2.120 70.261 -99.200 -91.000 PHE 34 1.000 12.317 -5.542 52.730 -99.200 -91.000 HIS 35 0.900 15.262 -11.028 56.416 -99.200 -91.000 PHE 41 1.000 16.408 -5.914 57.963 -99.200 -91.000 HIS 44 0.900 15.958 1.936 69.047 -99.200 -91.000 TYR 46 0.840 14.302 7.037 66.862 -99.200 -91.000 TRP 58 1.040 15.044 18.308 63.416 -99.200 -91.000 TRP6 58 1.020 15.334 20.586 62.954 -99.200 -91.000 TYR 69 0.840 30.055 7.276 61.738 -99.200 -91.000 TYR 72 0.840 24.283 -0.947 63.059 -99.200 -91.000 PHE 75 1.000 24.563 4.679 60.643 -99.200 -91.000 HIS 79 0.900 11.030 12.330 59.534 -99.200 -91.000 TYR 85 0.840 10.694 22.090 57.274 -99.200 -91.000 PHE 92 1.000 23.158 22.753 56.833 -99.200 -91.000 PHE 93 1.000 24.288 13.126 61.389 -99.200 -91.000 HIS 125 0.900 20.933 -2.710 45.318 -99.200 -91.000 TYR 130 0.840 24.778 1.195 42.827 -99.200 -91.000 PHE 138 1.000 15.261 5.616 47.045 -99.200 -91.000 PHE 139 1.000 8.081 9.379 49.271 -99.200 -91.000 HIS 152 0.900 3.134 17.355 43.216 -99.200 -91.000 PHE 155 1.000 3.331 10.823 42.606 -99.200 -91.000 PHE 158 1.000 9.376 13.943 50.531 -99.200 -91.000 PHE 189 1.000 29.207 11.162 62.638 -99.200 -91.000 TYR 204 0.840 1.543 41.069 51.988 -99.200 -91.000 HIS 209 0.900 6.326 51.328 57.919 -99.200 -91.000 PHE 227 1.000 7.580 40.286 45.218 -99.200 -91.000 TYR 278 0.840 24.834 33.026 47.197 -99.200 -91.000 HIS 289 0.900 16.359 26.070 63.797 -99.200 -91.000 TYR 290 0.840 26.469 23.656 61.998 -99.200 -91.000 TYR 298 0.840 25.081 40.171 62.660 -99.200 -91.000