============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 3 0.840 41.177 41.989 40.250 -99.200 -91.000 PHE 15 1.000 43.536 35.677 48.784 -99.200 -91.000 TYR 26 0.840 46.795 32.377 48.752 -99.200 -91.000 TYR 44 0.840 45.034 22.654 49.152 -99.200 -91.000 PHE 45 1.000 41.935 30.349 46.342 -99.200 -91.000 TRP 58 1.040 33.291 35.429 39.535 -99.200 -91.000 TRP6 58 1.020 34.714 35.427 41.417 -99.200 -91.000 PHE 67 1.000 38.449 24.465 29.960 -99.200 -91.000 TYR 69 0.840 44.833 29.475 36.398 -99.200 -91.000 PHE 73 1.000 35.559 28.635 48.190 -99.200 -91.000 HIS 78 0.900 32.185 31.081 57.481 -99.200 -91.000 PHE 83 1.000 29.082 34.155 41.420 -99.200 -91.000 TYR 90 0.840 32.385 26.322 29.888 -99.200 -91.000 PHE 93 1.000 33.315 31.482 43.831 -99.200 -91.000 PHE 94 1.000 34.849 26.932 42.758 -99.200 -91.000 PHE 106 1.000 28.515 29.969 45.472 -99.200 -91.000 TYR 124 0.840 32.115 20.693 30.816 -99.200 -91.000 TYR 143 0.840 22.688 27.037 51.247 -99.200 -91.000 TYR 165 0.840 39.405 11.569 34.680 -99.200 -91.000 TYR 171 0.840 32.369 12.478 45.272 -99.200 -91.000 TYR 176 0.840 19.824 23.387 50.657 -99.200 -91.000 PHE 204 1.000 29.408 9.364 43.886 -99.200 -91.000 TYR 209 0.840 15.722 19.323 49.210 -99.200 -91.000 TYR 211 0.840 13.602 24.417 48.318 -99.200 -91.000 TRP 242 1.040 9.339 19.313 47.729 -99.200 -91.000 TRP6 242 1.020 9.929 18.732 49.944 -99.200 -91.000 TYR 267 0.840 18.612 6.377 37.390 -99.200 -91.000 TYR 271 0.840 12.915 7.752 47.992 -99.200 -91.000 PHE 298 1.000 14.684 6.646 38.198 -99.200 -91.000 HIS 299 0.900 8.618 10.133 35.076 -99.200 -91.000 TRP 315 1.040 19.086 11.316 51.857 -99.200 -91.000 TRP6 315 1.020 18.555 13.057 50.360 -99.200 -91.000 TRP 320 1.040 21.149 16.599 54.492 -99.200 -91.000 TRP6 320 1.020 20.488 17.949 52.676 -99.200 -91.000 TYR 327 0.840 10.167 23.539 49.964 -99.200 -91.000 PHE 330 1.000 23.692 21.716 53.309 -99.200 -91.000 TRP 332 1.040 26.571 24.219 57.204 -99.200 -91.000 TRP6 332 1.020 26.856 25.174 55.054 -99.200 -91.000