============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 4 1.000 6.764 9.405 38.089 -99.200 -91.000 HIS 8 0.900 12.453 1.133 22.883 -99.200 -91.000 PHE 16 1.000 8.732 0.298 8.527 -99.200 -91.000 TYR 19 0.840 17.280 -8.769 4.299 -99.200 -91.000 TRP 20 1.040 16.400 -1.587 10.425 -99.200 -91.000 TRP6 20 1.020 16.789 0.729 10.710 -99.200 -91.000 PHE 25 1.000 19.611 5.281 6.423 -99.200 -91.000 TYR 31 0.840 15.099 8.923 6.681 -99.200 -91.000 HIS 40 0.900 8.152 14.418 7.033 -99.200 -91.000 PHE 49 1.000 23.583 2.724 4.908 -99.200 -91.000 TYR 52 0.840 20.551 5.894 12.118 -99.200 -91.000 PHE 61 1.000 1.171 5.452 14.141 -99.200 -91.000 HIS 82 0.900 17.047 16.772 38.538 -99.200 -91.000 TYR 84 0.840 19.372 11.108 35.822 -99.200 -91.000 HIS 96 0.900 13.531 16.522 21.771 -99.200 -91.000 HIS 107 0.900 12.698 24.136 33.115 -99.200 -91.000 PHE 117 1.000 22.837 -1.132 25.688 -99.200 -91.000 TRP 119 1.040 22.632 -9.355 30.408 -99.200 -91.000 TRP6 119 1.020 21.391 -11.345 30.637 -99.200 -91.000 TRP 122 1.040 19.051 -9.526 26.177 -99.200 -91.000 TRP6 122 1.020 17.874 -8.315 27.810 -99.200 -91.000 TRP 131 1.040 24.836 3.225 22.528 -99.200 -91.000 TRP6 131 1.020 25.957 2.225 24.332 -99.200 -91.000 TYR 148 0.840 24.404 12.550 33.826 -99.200 -91.000 HIS 151 0.900 25.880 9.002 38.485 -99.200 -91.000 TYR 163 0.840 19.565 -11.714 35.887 -99.200 -91.000 TYR 166 0.840 20.493 -5.038 32.896 -99.200 -91.000 PHE 171 1.000 20.672 -1.603 44.985 -99.200 -91.000 HIS 193 0.900 17.617 -0.031 26.732 -99.200 -91.000 PHE 215 1.000 15.482 -8.843 34.054 -99.200 -91.000 TYR 224 0.840 7.450 -0.802 20.673 -99.200 -91.000 PHE 227 1.000 5.457 6.562 33.519 -99.200 -91.000 TRP 239 1.040 13.491 4.288 47.484 -99.200 -91.000 TRP6 239 1.020 12.862 6.069 46.057 -99.200 -91.000 HIS 251 0.900 -0.363 1.474 19.334 -99.200 -91.000 PHE 257 1.000 -3.634 -2.409 1.083 -99.200 -91.000 TRP 259 1.040 -1.414 -0.362 -4.854 -99.200 -91.000 TRP6 259 1.020 -2.139 -0.845 -7.045 -99.200 -91.000