============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 10 1.000 4.442 -15.449 -22.091 -99.200 -91.000 TRP 21 1.040 -10.422 -4.922 -36.090 -99.200 -91.000 TRP6 21 1.020 -10.148 -5.300 -38.421 -99.200 -91.000 TRP 28 1.040 -6.053 0.314 -42.365 -99.200 -91.000 TRP6 28 1.020 -7.009 -1.679 -41.536 -99.200 -91.000 PHE 35 1.000 5.648 0.677 -36.196 -99.200 -91.000 HIS 36 0.900 9.356 5.825 -30.449 -99.200 -91.000 PHE 50 1.000 21.605 -4.525 -24.268 -99.200 -91.000 HIS 54 0.900 17.573 -17.631 -20.072 -99.200 -91.000 TRP 57 1.040 22.056 -4.281 -18.791 -99.200 -91.000 TRP6 57 1.020 24.338 -4.302 -19.445 -99.200 -91.000 PHE 68 1.000 25.638 -11.537 -28.906 -99.200 -91.000 PHE 72 1.000 26.382 -7.590 -32.844 -99.200 -91.000 HIS 81 0.900 15.066 -6.334 -37.361 -99.200 -91.000 PHE 95 1.000 12.927 9.414 -37.887 -99.200 -91.000 HIS 105 0.900 15.158 -1.467 -37.214 -99.200 -91.000 PHE 110 1.000 12.947 2.139 -41.901 -99.200 -91.000 HIS 119 0.900 20.742 3.636 -27.015 -99.200 -91.000 PHE 123 1.000 27.060 -5.120 -39.443 -99.200 -91.000 TYR 134 0.840 33.573 6.224 -45.165 -99.200 -91.000 TRP 167 1.040 27.229 1.455 -19.757 -99.200 -91.000 TRP6 167 1.020 24.854 1.533 -19.653 -99.200 -91.000 HIS 225 0.900 7.894 5.964 -19.813 -99.200 -91.000 HIS 228 0.900 2.579 7.950 -18.833 -99.200 -91.000 HIS 234 0.900 2.438 -7.542 -21.274 -99.200 -91.000 TYR 236 0.840 7.145 -15.281 -27.722 -99.200 -91.000 HIS 247 0.900 -6.118 -8.495 -38.092 -99.200 -91.000 TRP 255 1.040 17.765 -8.953 -45.632 -99.200 -91.000 TRP6 255 1.020 19.440 -10.447 -44.865 -99.200 -91.000