============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 8 0.900 -3.423 -18.724 8.006 -99.200 -91.000 PHE 16 1.000 0.899 -29.517 20.280 -99.200 -91.000 TRP 22 1.040 -7.833 -27.130 12.240 -99.200 -91.000 TRP6 22 1.020 -6.021 -25.632 12.409 -99.200 -91.000 HIS 23 0.900 -13.562 -33.533 14.295 -99.200 -91.000 HIS 30 0.900 -11.955 -25.343 0.863 -99.200 -91.000 HIS 38 0.900 -7.726 -31.012 -10.405 -99.200 -91.000 PHE 47 1.000 2.272 -41.292 2.671 -99.200 -91.000 PHE 68 1.000 7.590 -42.438 0.823 -99.200 -91.000 HIS 77 0.900 13.850 -39.342 -3.818 -99.200 -91.000 TYR 83 0.840 8.862 -25.576 -10.022 -99.200 -91.000 HIS 88 0.900 -5.509 -26.525 -9.651 -99.200 -91.000 PHE 90 1.000 -5.466 -28.065 -5.728 -99.200 -91.000 PHE 92 1.000 -3.284 -32.331 1.223 -99.200 -91.000 PHE 98 1.000 1.479 -25.416 3.428 -99.200 -91.000 TYR 109 0.840 -7.903 -22.739 -4.438 -99.200 -91.000 PHE 117 1.000 -7.605 -24.176 17.105 -99.200 -91.000 PHE 122 1.000 3.414 -20.898 14.457 -99.200 -91.000 PHE 123 1.000 0.745 -20.377 4.273 -99.200 -91.000 TYR 126 0.840 -1.113 -15.002 3.968 -99.200 -91.000 PHE 128 1.000 -5.012 -10.714 2.865 -99.200 -91.000 TRP 131 1.040 -0.129 -13.411 -1.531 -99.200 -91.000 TRP6 131 1.020 0.080 -15.244 -3.035 -99.200 -91.000 HIS 149 0.900 -15.282 -23.070 8.988 -99.200 -91.000 PHE 151 1.000 -14.199 -23.123 3.707 -99.200 -91.000 HIS 153 0.900 -8.550 -18.876 -5.845 -99.200 -91.000