============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 19 0.840 8.716 26.130 -5.083 -99.200 -91.000 HIS 22 0.900 6.320 27.810 7.074 -99.200 -91.000 TRP 51 1.040 15.015 8.756 -8.414 -99.200 -91.000 TRP6 51 1.020 15.434 7.382 -6.542 -99.200 -91.000 PHE 58 1.000 12.430 0.435 -6.527 -99.200 -91.000 HIS 62 0.900 5.757 -9.427 -5.862 -99.200 -91.000 TYR 72 0.840 11.844 -2.216 5.133 -99.200 -91.000 TRP 74 1.040 9.286 7.233 5.176 -99.200 -91.000 TRP6 74 1.020 8.853 9.361 6.120 -99.200 -91.000 PHE 80 1.000 22.863 10.779 0.593 -99.200 -91.000 TRP 84 1.040 23.059 17.280 -4.145 -99.200 -91.000 TRP6 84 1.020 25.380 16.865 -4.288 -99.200 -91.000 TYR 87 0.840 28.533 19.914 -0.985 -99.200 -91.000 HIS 89 0.900 19.947 24.675 -4.282 -99.200 -91.000 TYR 96 0.840 17.413 25.503 -0.822 -99.200 -91.000 PHE 97 1.000 14.333 21.351 6.865 -99.200 -91.000 PHE 113 1.000 11.805 21.498 14.274 -99.200 -91.000 TYR 114 0.840 20.062 24.672 18.171 -99.200 -91.000 TRP 121 1.040 23.824 22.743 9.479 -99.200 -91.000 TRP6 121 1.020 24.240 24.427 11.084 -99.200 -91.000 PHE 127 1.000 26.013 14.919 1.323 -99.200 -91.000 PHE 137 1.000 22.499 13.485 -3.903 -99.200 -91.000 PHE 160 1.000 18.226 -5.579 -2.330 -99.200 -91.000 TYR 167 0.840 21.730 1.711 -9.550 -99.200 -91.000 PHE 189 1.000 33.326 0.700 -2.135 -99.200 -91.000 TYR 190 0.840 36.855 2.937 5.963 -99.200 -91.000 HIS 200 0.900 21.456 1.407 7.826 -99.200 -91.000 HIS 207 0.900 13.052 5.885 10.483 -99.200 -91.000 TYR 209 0.840 10.717 15.479 16.638 -99.200 -91.000 PHE 214 1.000 1.018 8.536 12.314 -99.200 -91.000 PHE 224 1.000 2.669 13.301 11.329 -99.200 -91.000 PHE 249 1.000 27.466 -0.049 1.278 -99.200 -91.000 HIS 250 0.900 33.031 0.439 5.745 -99.200 -91.000