============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 17 0.900 6.733 50.836 21.019 -99.200 -91.000 TYR 25 0.840 20.055 46.134 34.486 -99.200 -91.000 PHE 36 1.000 21.487 41.523 34.969 -99.200 -91.000 TYR 41 0.840 4.045 38.822 26.076 -99.200 -91.000 TYR 44 0.840 -0.286 43.993 20.936 -99.200 -91.000 TYR 46 0.840 2.227 46.548 32.154 -99.200 -91.000 HIS 57 0.900 18.245 31.706 34.716 -99.200 -91.000 TYR 66 0.840 12.100 28.624 33.849 -99.200 -91.000 PHE 69 1.000 8.811 27.373 30.374 -99.200 -91.000 TRP 70 1.040 5.876 32.853 34.367 -99.200 -91.000 TRP6 70 1.020 4.364 33.322 36.180 -99.200 -91.000 HIS 77 0.900 -4.736 36.291 34.957 -99.200 -91.000 PHE 86 1.000 21.296 37.124 36.918 -99.200 -91.000 TRP 91 1.040 26.036 36.828 35.666 -99.200 -91.000 TRP6 91 1.020 26.146 38.015 37.720 -99.200 -91.000 TYR 97 0.840 20.326 31.758 38.644 -99.200 -91.000 PHE 103 1.000 30.674 32.509 51.492 -99.200 -91.000 HIS 111 0.900 26.701 46.287 51.578 -99.200 -91.000 TRP 115 1.040 25.670 38.886 49.075 -99.200 -91.000 TRP6 115 1.020 24.574 37.366 50.554 -99.200 -91.000 TYR 117 0.840 20.839 35.380 46.219 -99.200 -91.000 TYR 139 0.840 1.729 39.310 42.014 -99.200 -91.000 PHE 141 1.000 7.824 30.329 39.010 -99.200 -91.000 HIS 143 0.900 11.029 24.349 38.176 -99.200 -91.000 PHE 149 1.000 18.603 35.212 41.877 -99.200 -91.000 HIS 151 0.900 15.819 28.935 49.282 -99.200 -91.000 HIS 158 0.900 11.709 40.027 53.148 -99.200 -91.000 PHE 161 1.000 11.464 41.560 45.692 -99.200 -91.000 HIS 162 0.900 0.902 41.730 46.619 -99.200 -91.000 TRP 171 1.040 21.345 23.101 47.768 -99.200 -91.000 TRP6 171 1.020 22.644 23.553 49.700 -99.200 -91.000 TYR 172 0.840 13.978 24.350 49.907 -99.200 -91.000 PHE 177 1.000 22.061 34.020 61.628 -99.200 -91.000 HIS 179 0.900 23.768 23.658 59.841 -99.200 -91.000 PHE 181 1.000 24.266 31.992 51.210 -99.200 -91.000 HIS 194 0.900 19.880 40.659 57.076 -99.200 -91.000 TYR 201 0.840 7.227 38.364 51.496 -99.200 -91.000 HIS 228 0.900 11.646 12.745 47.179 -99.200 -91.000 TYR 230 0.840 6.195 16.017 47.872 -99.200 -91.000 HIS 235 0.900 15.167 19.037 56.415 -99.200 -91.000 TYR 236 0.840 13.052 26.940 53.124 -99.200 -91.000 TYR 237 0.840 5.102 24.752 56.188 -99.200 -91.000 PHE 251 1.000 6.472 29.190 59.181 -99.200 -91.000 TRP 253 1.040 8.664 31.075 55.317 -99.200 -91.000 TRP6 253 1.020 10.464 29.563 55.641 -99.200 -91.000 HIS 263 0.900 13.208 20.075 38.711 -99.200 -91.000 TRP 275 1.040 1.478 34.453 43.149 -99.200 -91.000 TRP6 275 1.020 3.547 34.646 41.962 -99.200 -91.000 PHE 276 1.000 -0.899 37.317 38.732 -99.200 -91.000