============================================================================= 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. TRP 11 1.040 -0.061 42.593 -11.846 -99.200 -91.000 TRP6 11 1.020 2.211 42.049 -11.345 -99.200 -91.000 PHE 26 1.000 1.324 36.621 -7.986 -99.200 -91.000 HIS 33 0.900 -5.193 24.058 -9.353 -99.200 -91.000 PHE 43 1.000 6.723 51.206 -20.435 -99.200 -91.000 HIS 45 0.900 4.706 46.707 -13.257 -99.200 -91.000 HIS 55 0.900 4.521 28.418 -9.039 -99.200 -91.000 PHE 58 1.000 2.188 32.627 -11.297 -99.200 -91.000 PHE 77 1.000 12.035 42.340 -22.625 -99.200 -91.000 TRP 81 1.040 1.206 32.617 -22.665 -99.200 -91.000 TRP6 81 1.020 -0.987 31.825 -22.267 -99.200 -91.000 HIS 86 0.900 -8.684 44.713 -20.853 -99.200 -91.000 TRP 91 1.040 -14.542 50.631 -23.696 -99.200 -91.000 TRP6 91 1.020 -14.231 52.613 -22.462 -99.200 -91.000 TYR 92 0.840 -10.136 56.884 -24.038 -99.200 -91.000 TYR 93 0.840 -6.457 53.982 -26.215 -99.200 -91.000 PHE 112 1.000 3.634 37.401 -29.167 -99.200 -91.000 TRP 150 1.040 -10.281 28.471 -33.633 -99.200 -91.000 TRP6 150 1.020 -11.534 29.958 -32.274 -99.200 -91.000 TYR 157 0.840 -18.927 37.718 -21.378 -99.200 -91.000 TRP 161 1.040 -22.072 45.285 -18.102 -99.200 -91.000 TRP6 161 1.020 -22.715 44.138 -16.152 -99.200 -91.000 HIS 178 0.900 -17.391 32.228 -19.472 -99.200 -91.000 TRP 184 1.040 -20.842 31.821 -33.319 -99.200 -91.000 TRP6 184 1.020 -18.543 31.825 -33.876 -99.200 -91.000 TYR 201 0.840 -16.798 37.288 -15.168 -99.200 -91.000 TYR 214 0.840 -12.315 26.548 -12.603 -99.200 -91.000 PHE 222 1.000 -12.236 32.957 -12.246 -99.200 -91.000 PHE 233 1.000 -3.748 36.174 -9.946 -99.200 -91.000