============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 4 1.000 25.560 60.423 26.347 -99.200 -91.000 PHE 12 1.000 16.504 55.721 38.638 -99.200 -91.000 TYR 44 0.840 15.537 71.742 27.914 -99.200 -91.000 PHE 52 1.000 2.575 57.691 29.621 -99.200 -91.000 TYR 66 0.840 19.552 66.890 23.726 -99.200 -91.000 TYR 68 0.840 23.855 56.830 22.458 -99.200 -91.000 TYR 83 0.840 4.124 59.423 23.359 -99.200 -91.000 PHE 86 1.000 4.158 54.611 17.967 -99.200 -91.000 PHE 90 1.000 16.882 56.932 16.761 -99.200 -91.000 TYR 91 0.840 16.714 47.238 21.336 -99.200 -91.000 PHE 97 1.000 25.834 46.008 35.189 -99.200 -91.000 PHE 101 1.000 28.881 55.385 23.876 -99.200 -91.000 HIS 107 0.900 30.160 46.200 25.024 -99.200 -91.000 PHE 111 1.000 23.858 43.396 38.047 -99.200 -91.000 PHE 112 1.000 16.860 39.028 31.895 -99.200 -91.000 TYR 113 0.840 16.757 34.737 34.800 -99.200 -91.000 PHE 161 1.000 -9.659 54.666 41.622 -99.200 -91.000