============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. HIS 8 0.900 15.816 -12.321 28.598 -99.200 -91.000 TYR 23 0.840 25.385 6.064 39.535 -99.200 -91.000 PHE 27 1.000 24.054 1.793 48.466 -99.200 -91.000 TRP 30 1.040 25.015 -8.385 44.409 -99.200 -91.000 TRP6 30 1.020 25.400 -7.489 46.558 -99.200 -91.000 TYR 45 0.840 0.803 -10.085 46.887 -99.200 -91.000 PHE 50 1.000 -8.813 -13.536 62.019 -99.200 -91.000 PHE 70 1.000 -0.792 -20.998 46.977 -99.200 -91.000 HIS 78 0.900 9.077 -18.337 47.409 -99.200 -91.000 HIS 79 0.900 3.590 -21.751 49.626 -99.200 -91.000 HIS 83 0.900 -1.633 -11.084 62.018 -99.200 -91.000 HIS 84 0.900 -2.480 -6.576 56.576 -99.200 -91.000 TYR 90 0.840 -12.901 -5.983 59.888 -99.200 -91.000 TYR 98 0.840 5.991 -13.928 44.324 -99.200 -91.000 TRP 99 1.040 0.899 -20.223 39.787 -99.200 -91.000 TRP6 99 1.020 -0.117 -18.976 41.518 -99.200 -91.000 HIS 106 0.900 -7.209 -19.617 32.452 -99.200 -91.000 TRP 108 1.040 -3.634 -23.571 41.853 -99.200 -91.000 TRP6 108 1.020 -4.560 -21.631 42.843 -99.200 -91.000 TRP 117 1.040 -11.885 -23.374 49.555 -99.200 -91.000 TRP6 117 1.020 -11.311 -21.121 49.994 -99.200 -91.000 TRP 118 1.040 -12.989 -16.868 44.148 -99.200 -91.000 TRP6 118 1.020 -12.184 -15.685 46.028 -99.200 -91.000 PHE 130 1.000 -13.091 -16.932 52.731 -99.200 -91.000 PHE 131 1.000 -7.340 -10.040 50.950 -99.200 -91.000 PHE 142 1.000 9.680 -9.421 37.227 -99.200 -91.000 TYR 146 0.840 16.260 -9.517 45.262 -99.200 -91.000 PHE 148 1.000 18.626 -10.235 50.263 -99.200 -91.000 HIS 169 0.900 23.024 0.366 43.778 -99.200 -91.000 TYR 171 0.840 20.563 6.315 39.254 -99.200 -91.000 TRP 172 1.040 16.271 10.248 45.639 -99.200 -91.000 TRP6 172 1.020 15.236 8.659 47.056 -99.200 -91.000 PHE 179 1.000 9.611 -1.106 36.953 -99.200 -91.000 TRP 186 1.040 7.475 8.478 28.219 -99.200 -91.000 TRP6 186 1.020 9.229 9.526 29.392 -99.200 -91.000 HIS 211 0.900 -4.999 2.962 36.986 -99.200 -91.000 TRP 223 1.040 13.976 -9.054 62.826 -99.200 -91.000 TRP6 223 1.020 12.002 -8.592 61.608 -99.200 -91.000 TYR 234 0.840 14.275 -4.008 61.007 -99.200 -91.000 PHE 248 1.000 1.847 10.285 54.521 -99.200 -91.000 TYR 259 0.840 -5.444 3.144 42.991 -99.200 -91.000 PHE 263 1.000 5.856 -2.864 58.309 -99.200 -91.000 PHE 273 1.000 3.066 -12.114 64.530 -99.200 -91.000 TYR 278 0.840 5.830 -9.598 52.106 -99.200 -91.000 HIS 282 0.900 -1.979 -3.857 45.597 -99.200 -91.000 TRP 283 1.040 2.407 2.957 45.838 -99.200 -91.000 TRP6 283 1.020 2.634 5.144 46.728 -99.200 -91.000 TRP 292 1.040 5.433 8.198 50.594 -99.200 -91.000 TRP6 292 1.020 6.731 6.356 51.328 -99.200 -91.000 HIS 296 0.900 5.162 12.101 53.020 -99.200 -91.000 HIS 299 0.900 11.974 5.728 50.895 -99.200 -91.000 PHE 303 1.000 18.521 8.014 50.956 -99.200 -91.000 PHE 306 1.000 20.465 1.380 54.546 -99.200 -91.000 PHE 307 1.000 22.427 5.544 52.301 -99.200 -91.000 TYR 319 0.840 12.630 -8.421 49.920 -99.200 -91.000 HIS 320 0.900 12.671 -1.623 45.481 -99.200 -91.000 PHE 325 1.000 0.874 -5.336 38.425 -99.200 -91.000 TYR 332 0.840 -6.245 -5.499 41.689 -99.200 -91.000 TYR 334 0.840 -10.941 -6.982 47.173 -99.200 -91.000 HIS 338 0.900 -12.007 -3.608 56.149 -99.200 -91.000 HIS 353 0.900 -17.128 3.449 35.842 -99.200 -91.000