============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 4 1.000 5.704 -4.997 -0.722 -99.200 -91.000 TRP 14 1.040 1.449 -6.985 -2.359 -99.200 -91.000 TRP6 14 1.020 1.746 -8.554 -0.625 -99.200 -91.000 PHE 25 1.000 19.377 -32.989 7.854 -99.200 -91.000 HIS 42 0.900 19.236 2.004 4.301 -99.200 -91.000 PHE 45 1.000 12.408 2.270 -2.218 -99.200 -91.000 HIS 53 0.900 16.071 -7.794 -11.748 -99.200 -91.000 HIS 59 0.900 15.894 -8.455 8.107 -99.200 -91.000 PHE 75 1.000 11.837 -26.174 16.451 -99.200 -91.000 TRP 90 1.040 23.568 -23.334 12.920 -99.200 -91.000 TRP6 90 1.020 24.783 -22.149 14.570 -99.200 -91.000 TYR 99 0.840 33.854 -14.445 15.079 -99.200 -91.000 HIS 100 0.900 25.676 -17.477 14.941 -99.200 -91.000 HIS 102 0.900 30.561 -12.453 9.812 -99.200 -91.000 TRP 110 1.040 20.117 -10.750 6.266 -99.200 -91.000 TRP6 110 1.020 20.773 -9.004 4.824 -99.200 -91.000 PHE 112 1.000 14.356 -16.064 6.554 -99.200 -91.000 PHE 120 1.000 8.257 -8.011 4.901 -99.200 -91.000 PHE 123 1.000 2.058 -21.311 3.003 -99.200 -91.000 PHE 124 1.000 9.102 -17.556 7.223 -99.200 -91.000 HIS 125 0.900 14.177 -23.626 2.971 -99.200 -91.000 HIS 135 0.900 9.438 -25.944 20.053 -99.200 -91.000 PHE 156 1.000 19.017 -7.495 24.895 -99.200 -91.000 HIS 157 0.900 26.962 -9.568 18.623 -99.200 -91.000 PHE 209 1.000 9.802 0.623 29.367 -99.200 -91.000 TYR 210 0.840 13.110 -0.496 25.839 -99.200 -91.000 TYR 218 0.840 24.144 13.994 16.404 -99.200 -91.000 HIS 222 0.900 29.878 20.877 15.842 -99.200 -91.000 TYR 267 0.840 24.706 -3.051 5.510 -99.200 -91.000 HIS 268 0.900 28.345 2.554 9.797 -99.200 -91.000 TRP 281 1.040 41.982 4.704 17.164 -99.200 -91.000 TRP6 281 1.020 43.353 3.636 15.585 -99.200 -91.000 HIS 287 0.900 46.315 0.065 24.958 -99.200 -91.000 PHE 310 1.000 8.203 -17.775 30.722 -99.200 -91.000 TYR 311 0.840 12.553 -17.067 33.498 -99.200 -91.000 HIS 322 0.900 3.362 3.755 13.557 -99.200 -91.000 PHE 324 1.000 -0.045 -0.158 10.172 -99.200 -91.000 PHE 327 1.000 0.704 -12.029 2.871 -99.200 -91.000 PHE 334 1.000 9.524 -1.779 1.597 -99.200 -91.000