============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 6 1.000 40.059 26.634 -0.339 -99.200 -91.000 PHE 9 1.000 36.525 29.800 3.593 -99.200 -91.000 PHE 25 1.000 30.740 21.575 11.756 -99.200 -91.000 HIS 27 0.900 28.407 27.728 0.848 -99.200 -91.000 PHE 45 1.000 43.345 24.180 26.942 -99.200 -91.000 HIS 49 0.900 50.945 20.239 24.381 -99.200 -91.000 PHE 64 1.000 37.351 40.579 37.946 -99.200 -91.000 TYR 69 0.840 37.638 34.339 39.069 -99.200 -91.000 TYR 72 0.840 46.180 36.586 34.511 -99.200 -91.000 PHE 75 1.000 47.509 37.517 23.608 -99.200 -91.000 HIS 79 0.900 53.649 23.957 22.701 -99.200 -91.000 TYR 89 0.840 38.661 23.092 -4.219 -99.200 -91.000 HIS 95 0.900 30.821 17.128 -0.240 -99.200 -91.000 TYR 99 0.840 30.356 18.528 6.755 -99.200 -91.000 TYR 114 0.840 4.223 2.257 15.383 -99.200 -91.000 TYR 121 0.840 8.529 7.295 5.913 -99.200 -91.000 TRP 131 1.040 23.359 -3.030 10.553 -99.200 -91.000 TRP6 131 1.020 23.786 -2.784 12.865 -99.200 -91.000 TYR 133 0.840 17.886 -9.814 10.828 -99.200 -91.000 PHE 143 1.000 25.855 -12.149 29.240 -99.200 -91.000 PHE 152 1.000 21.639 -9.409 26.863 -99.200 -91.000 TRP 160 1.040 34.545 2.827 25.457 -99.200 -91.000 TRP6 160 1.020 34.000 0.850 26.591 -99.200 -91.000 TYR 169 0.840 27.050 4.024 22.941 -99.200 -91.000 HIS 175 0.900 20.968 -14.138 19.869 -99.200 -91.000 HIS 189 0.900 8.005 -8.181 23.058 -99.200 -91.000 TYR 208 0.840 33.932 -3.098 29.890 -99.200 -91.000 TYR 218 0.840 20.575 5.950 26.339 -99.200 -91.000 HIS 220 0.900 19.276 6.275 20.698 -99.200 -91.000 TYR 221 0.840 9.211 5.617 19.056 -99.200 -91.000 TYR 225 0.840 20.148 -0.868 15.114 -99.200 -91.000 TYR 226 0.840 12.526 2.032 12.950 -99.200 -91.000 HIS 227 0.900 16.946 -7.077 15.926 -99.200 -91.000 HIS 229 0.900 18.998 -0.162 18.686 -99.200 -91.000 HIS 231 0.900 21.624 3.146 22.225 -99.200 -91.000 PHE 232 1.000 23.175 -2.286 28.988 -99.200 -91.000 PHE 237 1.000 29.697 9.188 25.860 -99.200 -91.000 HIS 248 0.900 11.165 6.727 25.382 -99.200 -91.000 HIS 263 0.900 3.503 3.477 28.786 -99.200 -91.000 TYR 264 0.840 6.670 1.603 26.083 -99.200 -91.000 PHE 271 1.000 8.767 10.451 16.806 -99.200 -91.000