============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 10 1.000 5.273 -9.190 36.985 -99.200 -91.000 PHE 33 1.000 1.752 -12.246 41.277 -99.200 -91.000 PHE 59 1.000 4.473 -21.105 35.937 -99.200 -91.000 HIS 60 0.900 -2.645 -20.650 33.998 -99.200 -91.000 TYR 62 0.840 1.899 -15.767 27.364 -99.200 -91.000 PHE 79 1.000 -9.593 -11.398 31.178 -99.200 -91.000 HIS 98 0.900 26.800 -12.003 19.720 -99.200 -91.000 PHE 108 1.000 7.620 -3.213 18.348 -99.200 -91.000 PHE 121 1.000 -10.179 -12.991 26.290 -99.200 -91.000 TRP 122 1.040 -9.356 -6.381 30.860 -99.200 -91.000 TRP6 122 1.020 -7.114 -5.832 31.301 -99.200 -91.000 PHE 142 1.000 12.499 6.875 29.405 -99.200 -91.000 HIS 146 0.900 26.608 4.494 22.503 -99.200 -91.000 TYR 151 0.840 17.434 -4.307 26.277 -99.200 -91.000 PHE 161 1.000 1.384 -1.583 21.718 -99.200 -91.000 TYR 177 0.840 0.717 1.832 35.077 -99.200 -91.000 HIS 190 0.900 25.125 -12.576 34.951 -99.200 -91.000 PHE 192 1.000 24.747 -6.280 28.372 -99.200 -91.000 TRP 195 1.040 24.110 -4.834 15.433 -99.200 -91.000 TRP6 195 1.020 25.052 -3.015 14.270 -99.200 -91.000 HIS 209 0.900 29.853 4.815 34.603 -99.200 -91.000 PHE 221 1.000 6.886 -3.252 37.815 -99.200 -91.000 TRP 234 1.040 4.748 5.453 36.652 -99.200 -91.000 TRP6 234 1.020 4.588 7.212 38.203 -99.200 -91.000 TRP 246 1.040 7.336 10.894 24.326 -99.200 -91.000 TRP6 246 1.020 9.099 9.454 24.977 -99.200 -91.000 HIS 249 0.900 11.475 16.074 19.805 -99.200 -91.000 TRP 250 1.040 4.441 15.448 13.406 -99.200 -91.000 TRP6 250 1.020 3.087 13.522 13.475 -99.200 -91.000 HIS 253 0.900 -1.787 19.527 14.681 -99.200 -91.000