============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 33.688 26.543 20.861 -99.200 -91.000 PHE 29 1.000 37.668 29.609 15.709 -99.200 -91.000 TRP 36 1.040 31.491 38.771 13.826 -99.200 -91.000 TRP6 36 1.020 32.789 39.494 15.657 -99.200 -91.000 TRP 47 1.040 22.900 37.386 12.134 -99.200 -91.000 TRP6 47 1.020 23.115 36.908 9.837 -99.200 -91.000 TRP 50 1.040 26.406 32.229 9.140 -99.200 -91.000 TRP6 50 1.020 27.513 30.157 9.277 -99.200 -91.000 HIS 54 0.900 35.711 21.959 7.659 -99.200 -91.000 TYR 60 0.840 30.464 39.584 5.237 -99.200 -91.000 PHE 64 1.000 24.505 45.380 9.841 -99.200 -91.000 PHE 68 1.000 29.211 47.009 9.681 -99.200 -91.000 PHE 70 1.000 30.854 38.661 9.436 -99.200 -91.000 PHE 80 1.000 41.158 38.598 14.587 -99.200 -91.000 TYR 93 0.840 29.376 47.112 16.229 -99.200 -91.000 PHE 94 1.000 26.676 42.018 23.127 -99.200 -91.000 TYR 99 0.840 27.440 22.325 18.326 -99.200 -91.000 TYR 100 0.840 25.440 19.833 14.247 -99.200 -91.000 PHE 102 1.000 22.306 24.205 20.975 -99.200 -91.000 PHE 107 1.000 28.044 28.046 26.129 -99.200 -91.000 TRP 108 1.040 24.647 35.584 22.820 -99.200 -91.000 TRP6 108 1.020 23.902 37.429 21.556 -99.200 -91.000 TYR 127 0.840 31.474 70.596 39.137 -99.200 -91.000 TYR 150 0.840 30.530 62.172 30.755 -99.200 -91.000 PHE 151 1.000 31.486 63.273 22.543 -99.200 -91.000 TRP 159 1.040 27.575 56.334 45.252 -99.200 -91.000 TRP6 159 1.020 27.870 58.587 45.878 -99.200 -91.000 HIS 169 0.900 17.779 55.208 43.382 -99.200 -91.000 PHE 171 1.000 19.073 59.158 38.975 -99.200 -91.000 TYR 180 0.840 27.191 61.624 26.043 -99.200 -91.000 TRP 193 1.040 27.923 62.368 54.763 -99.200 -91.000 TRP6 193 1.020 26.886 64.485 54.732 -99.200 -91.000 HIS 204 0.900 35.713 60.626 29.737 -99.200 -91.000