============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 8 1.000 18.098 35.142 51.797 -99.200 -91.000 PHE 24 1.000 34.608 37.094 72.614 -99.200 -91.000 PHE 37 1.000 20.084 34.987 64.134 -99.200 -91.000 TYR 50 0.840 35.038 49.354 69.609 -99.200 -91.000 TYR 52 0.840 43.715 52.188 64.186 -99.200 -91.000 PHE 57 1.000 46.209 49.315 61.569 -99.200 -91.000 PHE 59 1.000 43.801 44.037 62.610 -99.200 -91.000 TRP 68 1.040 31.306 31.712 69.854 -99.200 -91.000 TRP6 68 1.020 29.287 32.195 68.744 -99.200 -91.000 HIS 77 0.900 28.232 43.130 56.299 -99.200 -91.000 HIS 79 0.900 28.382 48.485 61.274 -99.200 -91.000 TRP 83 1.040 29.133 55.223 60.607 -99.200 -91.000 TRP6 83 1.020 28.741 54.281 62.718 -99.200 -91.000 HIS 84 0.900 28.474 59.953 60.114 -99.200 -91.000 TYR 87 0.840 30.128 55.462 68.323 -99.200 -91.000 TRP 92 1.040 43.615 57.339 60.987 -99.200 -91.000 TRP6 92 1.020 42.098 57.690 59.218 -99.200 -91.000 PHE 100 1.000 41.053 62.254 56.531 -99.200 -91.000 PHE 104 1.000 39.722 56.626 53.529 -99.200 -91.000 HIS 107 0.900 40.855 52.595 59.162 -99.200 -91.000 HIS 114 0.900 43.795 40.670 61.064 -99.200 -91.000 PHE 115 1.000 39.778 41.934 60.587 -99.200 -91.000 TRP 122 1.040 35.566 44.131 54.906 -99.200 -91.000 TRP6 122 1.020 35.942 44.809 57.138 -99.200 -91.000 PHE 130 1.000 21.636 66.798 55.337 -99.200 -91.000 TYR 145 0.840 27.515 62.266 47.573 -99.200 -91.000 PHE 150 1.000 36.076 59.156 57.114 -99.200 -91.000 TYR 151 0.840 31.417 66.074 50.493 -99.200 -91.000 PHE 154 1.000 39.742 61.169 50.220 -99.200 -91.000 TYR 159 0.840 33.801 59.778 51.774 -99.200 -91.000 PHE 164 1.000 32.210 50.690 47.996 -99.200 -91.000 TYR 177 0.840 26.778 43.834 50.503 -99.200 -91.000 TYR 178 0.840 26.416 54.047 50.700 -99.200 -91.000 PHE 181 1.000 20.616 56.884 59.259 -99.200 -91.000 PHE 212 1.000 17.903 49.555 50.525 -99.200 -91.000 HIS 215 0.900 18.614 50.310 62.610 -99.200 -91.000 TYR 220 0.840 7.501 56.735 58.026 -99.200 -91.000 TYR 255 0.840 10.466 59.736 65.668 -99.200 -91.000 TYR 263 0.840 1.458 48.733 72.881 -99.200 -91.000 TYR 283 0.840 11.287 41.655 62.831 -99.200 -91.000 TYR 290 0.840 16.585 40.521 50.844 -99.200 -91.000 TRP 305 1.040 22.300 46.888 65.136 -99.200 -91.000 TRP6 305 1.020 24.053 46.239 63.710 -99.200 -91.000 TRP 313 1.040 19.682 50.486 67.725 -99.200 -91.000 TRP6 313 1.020 19.735 52.638 66.758 -99.200 -91.000 TYR 315 0.840 14.790 46.501 77.039 -99.200 -91.000 HIS 317 0.900 11.867 54.112 70.399 -99.200 -91.000 TRP 323 1.040 8.638 45.282 74.855 -99.200 -91.000 TRP6 323 1.020 7.331 47.246 74.933 -99.200 -91.000 PHE 327 1.000 15.443 34.256 69.336 -99.200 -91.000 TYR 337 0.840 12.623 32.030 65.410 -99.200 -91.000