============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 1 0.840 24.813 57.872 56.545 -99.200 -91.000 PHE 2 1.000 25.926 54.055 59.495 -99.200 -91.000 HIS 5 0.900 38.806 55.272 63.174 -99.200 -91.000 PHE 25 1.000 23.742 66.124 74.292 -99.200 -91.000 PHE 27 1.000 22.884 61.364 69.037 -99.200 -91.000 TYR 32 0.840 22.444 53.867 55.544 -99.200 -91.000 PHE 34 1.000 22.374 46.648 65.583 -99.200 -91.000 TYR 40 0.840 17.044 58.046 66.072 -99.200 -91.000 TYR 55 0.840 19.909 37.335 78.847 -99.200 -91.000 TYR 56 0.840 22.881 41.419 69.605 -99.200 -91.000 TYR 58 0.840 29.318 35.217 70.108 -99.200 -91.000 PHE 69 1.000 29.785 51.251 62.747 -99.200 -91.000 PHE 76 1.000 26.529 46.971 75.664 -99.200 -91.000 HIS 80 0.900 21.609 47.961 89.905 -99.200 -91.000 HIS 92 0.900 27.777 46.910 85.067 -99.200 -91.000 TRP 97 1.040 34.119 38.994 89.015 -99.200 -91.000 TRP6 97 1.020 36.376 39.406 88.437 -99.200 -91.000 TYR 101 0.840 20.576 37.445 86.428 -99.200 -91.000 PHE 108 1.000 36.412 38.143 83.851 -99.200 -91.000 TRP 129 1.040 18.183 59.887 92.569 -99.200 -91.000 TRP6 129 1.020 17.354 59.073 90.494 -99.200 -91.000 TYR 133 0.840 34.405 52.784 89.145 -99.200 -91.000 HIS 137 0.900 26.503 43.830 87.604 -99.200 -91.000 HIS 138 0.900 24.829 43.178 83.254 -99.200 -91.000 PHE 148 1.000 30.771 53.768 78.865 -99.200 -91.000 PHE 149 1.000 25.420 46.800 79.964 -99.200 -91.000 TRP 159 1.040 14.887 51.321 86.166 -99.200 -91.000 TRP6 159 1.020 13.580 49.345 86.113 -99.200 -91.000 TYR 174 0.840 33.060 65.363 80.052 -99.200 -91.000 TYR 179 0.840 36.818 56.834 74.629 -99.200 -91.000 PHE 186 1.000 41.237 59.633 83.595 -99.200 -91.000 HIS 196 0.900 26.294 44.832 92.075 -99.200 -91.000 TYR 197 0.840 24.791 48.934 94.543 -99.200 -91.000 PHE 212 1.000 39.472 51.305 91.145 -99.200 -91.000 HIS 214 0.900 36.661 43.242 83.531 -99.200 -91.000 TYR 219 0.840 28.490 40.210 94.584 -99.200 -91.000 PHE 234 1.000 41.505 46.026 83.543 -99.200 -91.000 TYR 242 0.840 41.555 50.272 95.921 -99.200 -91.000 TRP 245 1.040 44.078 43.424 103.993 -99.200 -91.000 TRP6 245 1.020 45.570 42.510 102.390 -99.200 -91.000 PHE 267 1.000 48.461 45.106 97.368 -99.200 -91.000