============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -4.880 9.071 40.273 -99.200 -91.000 TYR 17 0.840 -0.954 12.388 43.019 -99.200 -91.000 PHE 18 1.000 -4.648 15.497 41.423 -99.200 -91.000 TRP 23 1.040 1.871 13.313 46.313 -99.200 -91.000 TRP6 23 1.020 2.038 11.071 47.038 -99.200 -91.000 TYR 24 0.840 8.462 16.259 51.121 -99.200 -91.000 TYR 28 0.840 16.603 13.351 38.965 -99.200 -91.000 TYR 40 0.840 16.504 20.572 39.855 -99.200 -91.000 TYR 58 0.840 11.607 24.203 46.574 -99.200 -91.000 HIS 59 0.900 10.931 22.263 39.183 -99.200 -91.000 TYR 60 0.840 17.936 24.672 46.753 -99.200 -91.000 PHE 68 1.000 12.353 26.415 38.527 -99.200 -91.000 TYR 69 0.840 8.310 27.854 46.198 -99.200 -91.000 TYR 82 0.840 -4.951 14.588 36.194 -99.200 -91.000 PHE 86 1.000 5.100 26.008 32.807 -99.200 -91.000 TYR 104 0.840 1.642 21.631 26.628 -99.200 -91.000 TYR 105 0.840 2.955 20.392 35.013 -99.200 -91.000 PHE 107 1.000 1.764 14.965 37.880 -99.200 -91.000 TYR 111 0.840 1.767 2.112 43.231 -99.200 -91.000 HIS 120 0.900 5.674 10.837 30.875 -99.200 -91.000 HIS 124 0.900 5.267 19.660 25.307 -99.200 -91.000 TYR 134 0.840 9.067 7.388 32.807 -99.200 -91.000 PHE 160 1.000 14.326 2.922 42.657 -99.200 -91.000 PHE 163 1.000 13.156 5.859 38.027 -99.200 -91.000 TYR 173 0.840 12.299 19.338 49.579 -99.200 -91.000