============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 7 1.000 66.778 28.964 1.435 -99.200 -91.000 PHE 11 1.000 66.088 26.473 9.616 -99.200 -91.000 HIS 22 0.900 47.121 29.903 26.284 -99.200 -91.000 PHE 23 1.000 50.596 25.147 21.607 -99.200 -91.000 TRP 35 1.040 63.538 37.656 8.377 -99.200 -91.000 TRP6 35 1.020 62.783 36.239 10.089 -99.200 -91.000 PHE 36 1.000 63.853 32.390 4.895 -99.200 -91.000 TYR 55 0.840 52.786 29.920 5.404 -99.200 -91.000 TRP 57 1.040 59.925 30.991 1.559 -99.200 -91.000 TRP6 57 1.020 58.840 30.547 3.591 -99.200 -91.000 TYR 69 0.840 47.293 26.826 17.158 -99.200 -91.000 PHE 81 1.000 73.813 25.479 3.757 -99.200 -91.000 PHE 83 1.000 76.855 26.239 7.801 -99.200 -91.000 TYR 94 0.840 79.829 10.406 17.530 -99.200 -91.000 TYR 103 0.840 71.167 22.985 18.976 -99.200 -91.000 TRP 129 1.040 77.620 19.724 13.306 -99.200 -91.000 TRP6 129 1.020 75.918 19.300 14.897 -99.200 -91.000 TYR 145 0.840 65.217 13.039 19.031 -99.200 -91.000 PHE 146 1.000 70.938 18.210 20.406 -99.200 -91.000