============================================================================= 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. HIS 30 0.900 1.810 53.081 63.121 -99.200 -91.000 TYR 36 0.840 3.041 51.996 57.374 -99.200 -91.000 TYR 38 0.840 3.595 49.816 48.999 -99.200 -91.000 TRP 39 1.040 0.787 57.571 44.709 -99.200 -91.000 TRP6 39 1.020 -1.291 58.061 43.681 -99.200 -91.000 PHE 40 1.000 1.752 49.139 43.977 -99.200 -91.000 TYR 53 0.840 10.065 53.282 49.335 -99.200 -91.000 PHE 66 1.000 6.541 58.433 36.718 -99.200 -91.000 PHE 75 1.000 -2.613 59.922 51.151 -99.200 -91.000 TYR 90 0.840 0.416 56.473 36.326 -99.200 -91.000 TYR 91 0.840 -4.883 50.030 39.281 -99.200 -91.000 HIS 95 0.900 1.949 49.718 53.028 -99.200 -91.000 TYR 98 0.840 -3.372 42.657 57.244 -99.200 -91.000 PHE 100 1.000 -2.216 44.836 53.658 -99.200 -91.000 PHE 102 1.000 -4.377 46.926 45.169 -99.200 -91.000 PHE 122 1.000 0.899 41.886 5.659 -99.200 -91.000 PHE 139 1.000 -0.882 43.393 10.664 -99.200 -91.000 PHE 143 1.000 -5.474 54.029 13.932 -99.200 -91.000 TYR 144 0.840 -4.256 60.572 19.442 -99.200 -91.000 TRP 152 1.040 -11.735 43.675 5.407 -99.200 -91.000 TRP6 152 1.020 -9.640 43.019 4.506 -99.200 -91.000 TRP 167 1.040 -9.085 50.485 17.184 -99.200 -91.000 TRP6 167 1.020 -11.041 49.358 16.460 -99.200 -91.000 TYR 177 0.840 -5.289 55.020 20.628 -99.200 -91.000 TYR 190 0.840 -7.726 33.980 -1.364 -99.200 -91.000 HIS 193 0.900 -15.964 36.331 -5.273 -99.200 -91.000 TYR 196 0.840 -9.894 38.316 -2.217 -99.200 -91.000 HIS 202 0.900 -7.188 58.677 11.891 -99.200 -91.000 PHE 213 1.000 -4.787 39.950 -1.889 -99.200 -91.000