============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 5 0.840 24.533 28.382 47.055 -99.200 -91.000 PHE 14 1.000 39.536 18.396 49.008 -99.200 -91.000 HIS 31 0.900 21.181 22.318 40.109 -99.200 -91.000 TRP 33 1.040 21.400 21.637 51.344 -99.200 -91.000 TRP6 33 1.020 19.325 22.551 50.737 -99.200 -91.000 HIS 38 0.900 30.549 28.166 56.866 -99.200 -91.000 TYR 46 0.840 22.438 17.154 50.220 -99.200 -91.000 TYR 52 0.840 30.404 10.597 47.886 -99.200 -91.000 TRP 55 1.040 33.497 17.977 55.420 -99.200 -91.000 TRP6 55 1.020 32.837 19.653 56.929 -99.200 -91.000 PHE 61 1.000 30.814 29.149 50.248 -99.200 -91.000 TYR 71 0.840 19.056 16.289 39.881 -99.200 -91.000 PHE 76 1.000 17.587 8.077 32.190 -99.200 -91.000 PHE 91 1.000 32.724 9.443 29.816 -99.200 -91.000 TYR 100 0.840 47.242 11.751 36.292 -99.200 -91.000 TYR 101 0.840 42.415 4.151 40.658 -99.200 -91.000 TRP 103 1.040 41.220 8.465 47.167 -99.200 -91.000 TRP6 103 1.020 41.384 6.201 47.839 -99.200 -91.000 TYR 111 0.840 37.218 9.658 34.325 -99.200 -91.000 PHE 120 1.000 26.162 2.993 33.569 -99.200 -91.000 TRP 126 1.040 22.850 12.026 37.673 -99.200 -91.000 TRP6 126 1.020 25.084 12.622 38.080 -99.200 -91.000 TYR 132 0.840 29.641 1.876 50.445 -99.200 -91.000 PHE 137 1.000 21.220 2.874 41.462 -99.200 -91.000 PHE 153 1.000 29.372 -3.897 41.550 -99.200 -91.000 PHE 154 1.000 36.765 -6.987 39.488 -99.200 -91.000 HIS 162 0.900 39.067 -1.926 40.510 -99.200 -91.000 TYR 166 0.840 31.110 -9.121 30.560 -99.200 -91.000 TYR 171 0.840 39.007 -9.759 26.380 -99.200 -91.000 TYR 172 0.840 37.553 -6.516 34.284 -99.200 -91.000 HIS 174 0.900 40.224 -2.717 35.679 -99.200 -91.000 TYR 201 0.840 42.488 -5.203 39.488 -99.200 -91.000 TYR 202 0.840 38.632 -15.271 37.294 -99.200 -91.000 PHE 212 1.000 16.996 -2.012 39.458 -99.200 -91.000 TYR 215 0.840 20.812 7.973 44.516 -99.200 -91.000