============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 8.638 6.278 18.614 -99.200 -91.000 TRP6 14 1.020 7.231 8.030 19.414 -99.200 -91.000 PHE 19 1.000 12.741 -5.530 3.558 -99.200 -91.000 TRP 37 1.040 23.161 10.309 14.295 -99.200 -91.000 TRP6 37 1.020 24.983 8.834 14.232 -99.200 -91.000 HIS 43 0.900 19.660 -8.914 19.632 -99.200 -91.000 TYR 47 0.840 24.232 -14.600 19.054 -99.200 -91.000 TRP 49 1.040 22.605 -18.352 16.434 -99.200 -91.000 TRP6 49 1.020 20.431 -17.650 16.926 -99.200 -91.000 PHE 53 1.000 22.650 -9.439 8.519 -99.200 -91.000 HIS 65 0.900 -0.686 0.697 10.455 -99.200 -91.000 TYR 70 0.840 7.333 1.488 -1.938 -99.200 -91.000 TYR 84 0.840 29.542 5.037 14.076 -99.200 -91.000 HIS 86 0.900 29.490 -0.149 24.748 -99.200 -91.000 TYR 89 0.840 26.833 -7.431 21.083 -99.200 -91.000 TRP 91 1.040 30.142 -11.248 20.444 -99.200 -91.000 TRP6 91 1.020 31.267 -13.402 20.160 -99.200 -91.000 PHE 110 1.000 12.383 14.846 11.686 -99.200 -91.000 TYR 113 0.840 1.180 9.345 7.563 -99.200 -91.000 HIS 115 0.900 8.064 14.675 15.667 -99.200 -91.000 TYR 132 0.840 5.941 4.365 38.131 -99.200 -91.000 TRP 139 1.040 5.517 -3.882 11.196 -99.200 -91.000 TRP6 139 1.020 7.051 -2.077 11.382 -99.200 -91.000 TRP 146 1.040 4.813 -18.707 14.153 -99.200 -91.000 TRP6 146 1.020 5.286 -18.918 11.851 -99.200 -91.000 PHE 178 1.000 13.958 -1.686 31.043 -99.200 -91.000 TYR 182 0.840 0.595 -7.242 32.278 -99.200 -91.000 PHE 201 1.000 9.544 -0.567 28.426 -99.200 -91.000 PHE 207 1.000 7.235 14.285 36.079 -99.200 -91.000 TRP 211 1.040 4.523 9.419 23.543 -99.200 -91.000 TRP6 211 1.020 3.625 7.428 24.469 -99.200 -91.000 TYR 212 0.840 11.416 11.937 27.792 -99.200 -91.000 TRP 219 1.040 18.596 -11.161 27.170 -99.200 -91.000 TRP6 219 1.020 17.886 -12.596 28.944 -99.200 -91.000 TYR 229 0.840 8.802 -11.855 34.715 -99.200 -91.000 PHE 231 1.000 15.642 -10.516 31.552 -99.200 -91.000 TYR 232 0.840 11.908 -4.932 27.175 -99.200 -91.000 HIS 234 0.900 18.863 1.498 32.558 -99.200 -91.000 PHE 236 1.000 20.468 8.243 32.465 -99.200 -91.000 TRP 241 1.040 29.087 3.787 22.521 -99.200 -91.000 TRP6 241 1.020 27.381 3.076 20.997 -99.200 -91.000 PHE 249 1.000 32.815 8.472 14.904 -99.200 -91.000