============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 21 0.840 12.335 42.904 82.290 -99.200 -91.000 PHE 34 1.000 19.223 60.126 72.963 -99.200 -91.000 HIS 50 0.900 4.488 50.970 86.107 -99.200 -91.000 PHE 55 1.000 12.505 42.022 87.829 -99.200 -91.000 TYR 67 0.840 22.647 62.160 72.263 -99.200 -91.000 PHE 95 1.000 27.408 52.995 52.279 -99.200 -91.000 TYR 111 0.840 25.103 67.028 76.869 -99.200 -91.000 PHE 116 1.000 34.193 49.622 78.732 -99.200 -91.000 HIS 130 0.900 31.909 56.555 61.623 -99.200 -91.000 PHE 131 1.000 31.184 56.309 70.012 -99.200 -91.000 HIS 139 0.900 42.664 53.760 69.482 -99.200 -91.000 PHE 154 1.000 33.267 27.307 68.958 -99.200 -91.000 PHE 157 1.000 24.758 26.997 68.332 -99.200 -91.000 HIS 161 0.900 28.033 15.980 70.188 -99.200 -91.000 PHE 162 1.000 31.505 16.892 73.752 -99.200 -91.000 HIS 177 0.900 28.456 39.667 65.619 -99.200 -91.000 PHE 197 1.000 35.257 15.637 75.478 -99.200 -91.000 HIS 214 0.900 23.388 25.931 65.067 -99.200 -91.000 TRP 219 1.040 23.494 36.526 60.682 -99.200 -91.000 TRP6 219 1.020 21.934 37.963 59.557 -99.200 -91.000 TYR 232 0.840 14.182 40.509 71.105 -99.200 -91.000 PHE 233 1.000 13.918 37.798 74.622 -99.200 -91.000 TYR 246 0.840 34.284 51.099 83.053 -99.200 -91.000 PHE 259 1.000 43.695 50.650 67.644 -99.200 -91.000 HIS 263 0.900 48.634 41.498 72.194 -99.200 -91.000 TYR 264 0.840 44.966 37.341 68.647 -99.200 -91.000 TYR 270 0.840 38.416 49.707 68.201 -99.200 -91.000