============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 21 0.840 28.815 151.776 149.552 -99.200 -91.000 TYR 24 0.840 32.329 145.738 151.663 -99.200 -91.000 TYR 26 0.840 21.346 147.663 152.132 -99.200 -91.000 TYR 32 0.840 24.666 149.524 165.098 -99.200 -91.000 PHE 33 1.000 20.963 146.549 162.599 -99.200 -91.000 PHE 38 1.000 19.229 144.762 169.422 -99.200 -91.000 PHE 41 1.000 16.197 144.663 164.906 -99.200 -91.000 HIS 43 0.900 18.081 135.669 158.848 -99.200 -91.000 TRP 44 1.040 15.043 142.574 157.022 -99.200 -91.000 TRP6 44 1.020 15.742 144.485 155.804 -99.200 -91.000 HIS 55 0.900 18.089 144.199 143.586 -99.200 -91.000 PHE 59 1.000 21.287 147.301 136.924 -99.200 -91.000 TYR 60 0.840 28.601 139.356 134.933 -99.200 -91.000 TYR 62 0.840 19.924 145.063 129.045 -99.200 -91.000 TYR 64 0.840 29.686 140.366 130.067 -99.200 -91.000 TRP 82 1.040 24.481 153.347 160.369 -99.200 -91.000 TRP6 82 1.020 25.860 151.568 159.640 -99.200 -91.000 PHE 89 1.000 16.344 148.439 160.007 -99.200 -91.000 HIS 95 0.900 22.780 152.611 149.295 -99.200 -91.000 PHE 98 1.000 22.929 157.522 145.189 -99.200 -91.000 TYR 104 0.840 12.508 156.790 139.392 -99.200 -91.000 HIS 116 0.900 12.056 152.656 121.912 -99.200 -91.000 PHE 121 1.000 18.109 145.064 132.656 -99.200 -91.000 TRP 124 1.040 12.548 142.317 138.115 -99.200 -91.000 TRP6 124 1.020 14.197 142.521 139.814 -99.200 -91.000 PHE 125 1.000 17.443 146.014 138.017 -99.200 -91.000 PHE 154 1.000 14.322 138.401 173.031 -99.200 -91.000 TYR 159 0.840 8.181 140.819 161.140 -99.200 -91.000