============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 -27.438 5.826 37.407 -99.200 -91.000 TRP 15 1.040 -15.354 -1.681 27.763 -99.200 -91.000 TRP6 15 1.020 -14.135 -1.157 25.747 -99.200 -91.000 HIS 16 0.900 -17.688 -3.690 32.867 -99.200 -91.000 TYR 24 0.840 -8.789 -14.526 38.569 -99.200 -91.000 PHE 51 1.000 -20.123 6.435 51.080 -99.200 -91.000 HIS 53 0.900 -22.856 15.999 54.979 -99.200 -91.000 PHE 56 1.000 -13.771 11.445 53.330 -99.200 -91.000 HIS 59 0.900 -1.501 13.958 57.028 -99.200 -91.000 HIS 61 0.900 -5.068 13.516 50.781 -99.200 -91.000 PHE 67 1.000 1.445 1.109 58.945 -99.200 -91.000 TYR 88 0.840 -25.311 10.342 28.703 -99.200 -91.000 TRP 100 1.040 -7.113 -3.055 48.094 -99.200 -91.000 TRP6 100 1.020 -9.235 -2.372 47.231 -99.200 -91.000 HIS 110 0.900 -4.672 -10.474 54.440 -99.200 -91.000 TYR 115 0.840 7.332 -11.932 46.801 -99.200 -91.000 PHE 123 1.000 2.909 1.906 51.086 -99.200 -91.000 TYR 136 0.840 -9.953 17.426 37.689 -99.200 -91.000 TYR 137 0.840 -8.367 9.803 41.311 -99.200 -91.000 PHE 139 1.000 -6.421 8.118 46.385 -99.200 -91.000 TYR 147 0.840 0.603 -9.331 44.216 -99.200 -91.000 TRP 149 1.040 -0.776 -14.243 40.331 -99.200 -91.000 TRP6 149 1.020 -3.031 -14.775 39.740 -99.200 -91.000 TRP 156 1.040 6.428 -13.560 38.257 -99.200 -91.000 TRP6 156 1.020 7.569 -12.906 40.239 -99.200 -91.000 HIS 160 0.900 -1.982 -5.327 41.323 -99.200 -91.000 HIS 162 0.900 -6.439 -4.826 43.944 -99.200 -91.000 PHE 163 1.000 -7.458 3.971 41.795 -99.200 -91.000 TYR 179 0.840 -3.446 -3.805 35.693 -99.200 -91.000 PHE 180 1.000 1.628 2.191 38.454 -99.200 -91.000 TYR 221 0.840 3.000 6.559 36.438 -99.200 -91.000 PHE 223 1.000 -7.166 4.367 36.577 -99.200 -91.000 HIS 234 0.900 -35.909 9.731 27.687 -99.200 -91.000 PHE 235 1.000 -41.055 11.365 25.679 -99.200 -91.000