============================================================================= 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. TRP 14 1.040 35.616 28.360 89.564 -99.200 -91.000 TRP6 14 1.020 36.701 30.222 88.583 -99.200 -91.000 PHE 19 1.000 22.539 22.782 103.476 -99.200 -91.000 TRP 37 1.040 22.805 24.701 81.449 -99.200 -91.000 TRP6 37 1.020 21.374 22.814 81.432 -99.200 -91.000 HIS 43 0.900 31.159 10.644 93.691 -99.200 -91.000 TYR 47 0.840 28.723 4.273 95.041 -99.200 -91.000 TRP 49 1.040 28.722 4.765 100.293 -99.200 -91.000 TRP6 49 1.020 29.546 6.586 101.557 -99.200 -91.000 PHE 53 1.000 21.109 12.479 97.839 -99.200 -91.000 HIS 65 0.900 35.714 32.847 102.370 -99.200 -91.000 TYR 70 0.840 20.730 33.061 104.571 -99.200 -91.000 TYR 84 0.840 19.321 17.253 81.727 -99.200 -91.000 HIS 86 0.900 28.057 9.565 79.918 -99.200 -91.000 TYR 89 0.840 27.876 6.835 87.885 -99.200 -91.000 TRP 91 1.040 25.579 2.349 89.337 -99.200 -91.000 TRP6 91 1.020 25.274 0.443 90.716 -99.200 -91.000 TYR 113 0.840 31.624 38.265 96.861 -99.200 -91.000 HIS 115 0.900 32.583 36.006 86.203 -99.200 -91.000 HIS 129 0.900 51.577 19.035 78.123 -99.200 -91.000 PHE 132 1.000 52.629 21.620 82.280 -99.200 -91.000 TRP 139 1.040 33.286 25.406 102.301 -99.200 -91.000 TRP6 139 1.020 32.060 25.862 100.334 -99.200 -91.000 TRP 146 1.040 38.309 5.574 109.306 -99.200 -91.000 TRP6 146 1.020 39.064 4.888 107.168 -99.200 -91.000 PHE 183 1.000 42.477 14.901 85.199 -99.200 -91.000 TYR 187 0.840 52.627 18.246 95.798 -99.200 -91.000 PHE 206 1.000 43.267 19.310 88.706 -99.200 -91.000 TYR 212 0.840 49.744 28.271 76.486 -99.200 -91.000 TRP 216 1.040 41.612 31.073 87.142 -99.200 -91.000 TRP6 216 1.020 42.865 29.687 88.589 -99.200 -91.000 TYR 217 0.840 40.122 27.698 79.473 -99.200 -91.000 TRP 224 1.040 37.653 6.961 91.685 -99.200 -91.000 TRP6 224 1.020 39.271 5.346 92.316 -99.200 -91.000 TYR 234 0.840 50.141 9.144 93.181 -99.200 -91.000 PHE 236 1.000 42.806 7.141 90.307 -99.200 -91.000 TYR 237 0.840 41.266 15.367 91.224 -99.200 -91.000 HIS 239 0.900 40.831 14.127 80.335 -99.200 -91.000 PHE 241 1.000 39.089 18.424 74.950 -99.200 -91.000 TRP 246 1.040 26.253 12.810 78.425 -99.200 -91.000 TRP6 246 1.020 25.582 14.017 80.360 -99.200 -91.000