============================================================================= 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 4 1.000 -2.311 0.574 39.394 -99.200 -91.000 TYR 26 0.840 2.149 -11.623 24.291 -99.200 -91.000 PHE 27 1.000 5.853 -2.304 28.413 -99.200 -91.000 PHE 30 1.000 -1.922 -2.388 30.432 -99.200 -91.000 PHE 35 1.000 -2.132 6.013 24.407 -99.200 -91.000 TYR 46 0.840 8.789 13.387 25.139 -99.200 -91.000 PHE 52 1.000 7.884 2.944 32.742 -99.200 -91.000 PHE 67 1.000 16.455 3.306 29.056 -99.200 -91.000 PHE 71 1.000 12.186 -0.472 27.717 -99.200 -91.000 TYR 88 0.840 23.863 18.070 27.716 -99.200 -91.000 TYR 97 0.840 8.086 -2.253 20.469 -99.200 -91.000 TRP 99 1.040 9.818 -6.957 16.738 -99.200 -91.000 TRP6 99 1.020 7.649 -6.161 16.297 -99.200 -91.000 HIS 107 0.900 12.704 2.400 19.763 -99.200 -91.000 PHE 109 1.000 7.208 3.918 27.728 -99.200 -91.000 PHE 122 1.000 22.329 15.329 34.971 -99.200 -91.000 TYR 123 0.840 17.020 17.000 42.197 -99.200 -91.000 TYR 124 0.840 19.078 21.178 33.837 -99.200 -91.000 TYR 125 0.840 10.375 19.490 34.567 -99.200 -91.000 PHE 126 1.000 18.109 17.686 31.008 -99.200 -91.000 PHE 143 1.000 16.373 7.888 21.906 -99.200 -91.000