============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 4 1.000 -8.051 33.543 -2.429 -99.200 -91.000 TYR 15 0.840 -9.851 26.009 15.329 -99.200 -91.000 TYR 19 0.840 -5.010 22.497 0.400 -99.200 -91.000 HIS 51 0.900 2.839 43.986 16.832 -99.200 -91.000 HIS 62 0.900 -20.367 31.628 6.500 -99.200 -91.000 TYR 68 0.840 -13.738 28.161 1.966 -99.200 -91.000 PHE 71 1.000 -5.160 33.488 9.124 -99.200 -91.000 PHE 73 1.000 3.495 30.696 2.193 -99.200 -91.000 HIS 75 0.900 8.178 31.613 1.622 -99.200 -91.000 PHE 81 1.000 15.200 28.358 12.558 -99.200 -91.000 TYR 98 0.840 13.161 33.530 15.523 -99.200 -91.000 PHE 100 1.000 12.505 43.254 22.189 -99.200 -91.000 PHE 108 1.000 -1.878 45.269 18.190 -99.200 -91.000 HIS 110 0.900 -1.531 38.879 26.139 -99.200 -91.000 HIS 112 0.900 -5.960 46.796 20.560 -99.200 -91.000 HIS 116 0.900 -2.702 31.618 19.658 -99.200 -91.000 PHE 137 1.000 -2.568 36.442 19.750 -99.200 -91.000 PHE 143 1.000 -13.368 29.688 13.981 -99.200 -91.000 TYR 150 0.840 -8.896 19.138 9.385 -99.200 -91.000 HIS 152 0.900 -10.825 12.065 12.773 -99.200 -91.000 TRP 158 1.040 3.529 18.001 24.583 -99.200 -91.000 TRP6 158 1.020 5.157 17.601 22.913 -99.200 -91.000 TYR 159 0.840 4.172 23.879 23.404 -99.200 -91.000 TYR 170 0.840 -15.640 33.316 34.051 -99.200 -91.000 TYR 171 0.840 -8.868 29.993 29.615 -99.200 -91.000 TRP 178 1.040 2.379 27.406 31.297 -99.200 -91.000 TRP6 178 1.020 3.108 27.177 33.550 -99.200 -91.000 PHE 184 1.000 13.558 32.198 27.255 -99.200 -91.000 PHE 194 1.000 6.676 22.228 32.449 -99.200 -91.000 PHE 204 1.000 -0.301 14.095 38.983 -99.200 -91.000 PHE 207 1.000 0.627 19.867 39.885 -99.200 -91.000 TRP 218 1.040 -2.603 29.715 41.745 -99.200 -91.000 TRP6 218 1.020 -2.533 28.117 39.980 -99.200 -91.000 TYR 227 0.840 -5.453 21.191 44.992 -99.200 -91.000 PHE 231 1.000 -3.934 17.619 41.674 -99.200 -91.000 TRP 234 1.040 6.368 14.698 42.340 -99.200 -91.000 TRP6 234 1.020 4.261 14.488 41.305 -99.200 -91.000 PHE 239 1.000 12.748 28.092 36.353 -99.200 -91.000 HIS 259 0.900 6.722 33.956 39.472 -99.200 -91.000 TYR 260 0.840 2.864 25.936 39.899 -99.200 -91.000 HIS 274 0.900 14.265 39.751 33.009 -99.200 -91.000 PHE 276 1.000 17.040 36.402 27.680 -99.200 -91.000 PHE 277 1.000 13.480 40.022 26.042 -99.200 -91.000 HIS 286 0.900 21.479 28.973 5.729 -99.200 -91.000