============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 5 1.000 29.061 17.935 36.651 -99.200 -91.000 TYR 13 0.840 18.504 8.061 49.791 -99.200 -91.000 TRP 23 1.040 16.227 9.956 40.979 -99.200 -91.000 TRP6 23 1.020 17.868 11.541 41.500 -99.200 -91.000 HIS 25 0.900 15.736 11.239 32.276 -99.200 -91.000 PHE 37 1.000 29.446 14.174 30.937 -99.200 -91.000 PHE 57 1.000 22.299 4.984 32.025 -99.200 -91.000 TRP 61 1.040 32.747 5.136 26.479 -99.200 -91.000 TRP6 61 1.020 32.128 3.823 28.322 -99.200 -91.000 TYR 63 0.840 31.604 8.262 30.906 -99.200 -91.000 PHE 68 1.000 42.727 5.360 33.612 -99.200 -91.000 TYR 80 0.840 31.637 -0.694 26.041 -99.200 -91.000 PHE 85 1.000 42.141 1.784 28.796 -99.200 -91.000 PHE 103 1.000 45.702 8.987 31.629 -99.200 -91.000 TYR 107 0.840 32.951 12.722 36.060 -99.200 -91.000 PHE 117 1.000 39.487 8.254 44.414 -99.200 -91.000 PHE 130 1.000 17.834 16.416 39.446 -99.200 -91.000 PHE 141 1.000 28.423 13.218 50.273 -99.200 -91.000 PHE 150 1.000 34.739 18.863 50.942 -99.200 -91.000 TYR 167 0.840 29.507 21.878 48.610 -99.200 -91.000 HIS 168 0.900 37.385 24.305 44.322 -99.200 -91.000