============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.509 40.250 43.152 -99.200 -91.000 TRP6 12 1.020 -4.390 40.365 45.336 -99.200 -91.000 TYR 20 0.840 1.064 21.137 29.246 -99.200 -91.000 TRP 26 1.040 8.710 25.743 28.189 -99.200 -91.000 TRP6 26 1.020 8.944 24.090 29.862 -99.200 -91.000 HIS 28 0.900 -1.494 29.279 33.348 -99.200 -91.000 TRP 39 1.040 10.386 23.965 49.491 -99.200 -91.000 TRP6 39 1.020 9.754 21.741 49.029 -99.200 -91.000 HIS 45 0.900 -6.924 19.940 39.937 -99.200 -91.000 PHE 53 1.000 3.757 19.427 35.565 -99.200 -91.000 HIS 60 0.900 0.092 42.035 34.370 -99.200 -91.000 TYR 71 0.840 10.669 32.594 31.622 -99.200 -91.000 HIS 80 0.900 -2.303 15.205 52.323 -99.200 -91.000 TYR 82 0.840 -4.536 10.082 54.353 -99.200 -91.000 TRP 83 1.040 -4.471 13.902 44.106 -99.200 -91.000 TRP6 83 1.020 -6.471 15.133 43.920 -99.200 -91.000 TYR 91 0.840 -7.256 14.213 52.438 -99.200 -91.000 TYR 107 0.840 7.800 44.162 38.975 -99.200 -91.000 TYR 127 0.840 -10.093 41.505 45.465 -99.200 -91.000 TRP 131 1.040 -1.820 34.851 33.660 -99.200 -91.000 TRP6 131 1.020 -0.419 34.413 35.519 -99.200 -91.000 TYR 148 0.840 -15.293 41.451 47.265 -99.200 -91.000 TYR 154 0.840 -18.825 22.127 56.374 -99.200 -91.000 TYR 160 0.840 -25.406 28.286 48.629 -99.200 -91.000 TRP 161 1.040 -20.165 23.562 45.563 -99.200 -91.000 TRP6 161 1.020 -19.800 22.238 43.649 -99.200 -91.000 HIS 190 0.900 -3.821 36.378 46.338 -99.200 -91.000 TYR 197 0.840 -5.789 41.548 50.271 -99.200 -91.000 HIS 200 0.900 -7.071 32.860 55.130 -99.200 -91.000 PHE 205 1.000 -14.718 20.713 44.172 -99.200 -91.000 PHE 220 1.000 -11.121 29.209 45.924 -99.200 -91.000 TYR 226 0.840 -4.827 20.043 53.516 -99.200 -91.000 TRP 229 1.040 1.667 17.039 53.775 -99.200 -91.000 TRP6 229 1.020 1.572 18.215 51.738 -99.200 -91.000