============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 4 1.000 23.408 39.318 8.255 -99.200 -91.000 TYR 7 0.840 11.746 37.529 10.922 -99.200 -91.000 TYR 14 0.840 12.833 40.391 20.489 -99.200 -91.000 PHE 15 1.000 16.162 37.728 16.544 -99.200 -91.000 PHE 19 1.000 20.655 45.365 14.787 -99.200 -91.000 PHE 23 1.000 20.037 40.556 17.993 -99.200 -91.000 TRP 25 1.040 22.656 34.898 20.233 -99.200 -91.000 TRP6 25 1.020 23.835 32.936 20.832 -99.200 -91.000 TYR 31 0.840 25.904 18.882 21.435 -99.200 -91.000 PHE 36 1.000 24.536 19.294 30.100 -99.200 -91.000 HIS 40 0.900 25.684 37.314 27.031 -99.200 -91.000 TYR 51 0.840 27.065 38.932 14.717 -99.200 -91.000 PHE 60 1.000 30.362 18.915 24.166 -99.200 -91.000 TRP 74 1.040 25.672 21.592 13.532 -99.200 -91.000 TRP6 74 1.020 24.987 20.404 15.455 -99.200 -91.000 TYR 82 0.840 7.355 29.510 23.038 -99.200 -91.000 HIS 103 0.900 21.581 11.938 10.961 -99.200 -91.000 HIS 109 0.900 16.671 23.522 26.586 -99.200 -91.000 TYR 112 0.840 16.852 34.007 19.902 -99.200 -91.000 PHE 126 1.000 4.825 28.177 18.214 -99.200 -91.000 HIS 127 0.900 8.399 33.721 14.603 -99.200 -91.000 PHE 128 1.000 6.250 26.332 13.135 -99.200 -91.000 HIS 131 0.900 18.177 29.472 11.668 -99.200 -91.000 HIS 143 0.900 43.174 30.124 8.983 -99.200 -91.000 TYR 144 0.840 37.263 25.029 11.658 -99.200 -91.000 TYR 147 0.840 24.576 28.975 2.674 -99.200 -91.000 TYR 154 0.840 2.453 33.420 10.988 -99.200 -91.000 HIS 163 0.900 -3.456 30.529 14.918 -99.200 -91.000 HIS 164 0.900 -1.318 33.197 12.446 -99.200 -91.000