============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 1 0.840 36.166 35.066 31.562 -99.200 -91.000 PHE 7 1.000 25.275 23.562 33.519 -99.200 -91.000 PHE 10 1.000 19.873 24.292 36.898 -99.200 -91.000 TYR 17 0.840 12.183 28.595 35.665 -99.200 -91.000 TYR 18 0.840 23.037 28.552 35.444 -99.200 -91.000 TYR 27 0.840 21.772 32.994 38.779 -99.200 -91.000 PHE 58 1.000 9.681 30.029 31.513 -99.200 -91.000 PHE 60 1.000 16.335 37.517 24.348 -99.200 -91.000 HIS 70 0.900 31.151 41.565 39.405 -99.200 -91.000 HIS 72 0.900 34.987 43.749 37.229 -99.200 -91.000 PHE 73 1.000 35.686 40.845 30.473 -99.200 -91.000 HIS 75 0.900 30.031 38.467 36.155 -99.200 -91.000 TYR 90 0.840 22.022 47.463 32.146 -99.200 -91.000 PHE 108 1.000 38.613 49.362 41.624 -99.200 -91.000 HIS 109 0.900 43.123 46.830 38.855 -99.200 -91.000 TYR 110 0.840 40.346 45.036 35.746 -99.200 -91.000 TYR 117 0.840 38.472 50.308 27.427 -99.200 -91.000 PHE 118 1.000 31.185 46.977 30.160 -99.200 -91.000 HIS 128 0.900 19.678 54.930 44.925 -99.200 -91.000 HIS 143 0.900 20.615 42.448 50.607 -99.200 -91.000 HIS 148 0.900 35.210 41.298 41.593 -99.200 -91.000 TRP 155 1.040 20.959 41.475 41.906 -99.200 -91.000 TRP6 155 1.020 19.289 43.132 42.142 -99.200 -91.000 HIS 162 0.900 10.460 19.946 46.250 -99.200 -91.000 TYR 166 0.840 14.034 25.765 51.006 -99.200 -91.000 TYR 180 0.840 40.346 44.504 41.969 -99.200 -91.000 TYR 188 0.840 36.650 51.015 45.525 -99.200 -91.000 TYR 195 0.840 37.412 43.518 48.143 -99.200 -91.000 HIS 197 0.900 28.853 47.534 54.737 -99.200 -91.000 PHE 210 1.000 27.356 29.148 47.788 -99.200 -91.000 HIS 214 0.900 32.751 34.383 37.258 -99.200 -91.000 PHE 218 1.000 26.129 28.609 41.500 -99.200 -91.000 TYR 224 0.840 21.880 20.016 35.056 -99.200 -91.000 PHE 235 1.000 21.591 23.918 41.840 -99.200 -91.000 TYR 244 0.840 32.242 31.719 47.562 -99.200 -91.000 PHE 252 1.000 39.853 42.473 52.431 -99.200 -91.000 TYR 253 0.840 40.389 40.821 57.264 -99.200 -91.000