============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 8 1.000 54.467 46.671 10.328 -99.200 -91.000 PHE 24 1.000 44.005 49.353 -7.012 -99.200 -91.000 PHE 34 1.000 46.846 51.538 -2.741 -99.200 -91.000 PHE 38 1.000 58.653 46.758 7.884 -99.200 -91.000 HIS 44 0.900 62.927 36.133 7.056 -99.200 -91.000 TYR 46 0.840 63.903 40.821 4.310 -99.200 -91.000 TYR 47 0.840 62.521 51.710 4.195 -99.200 -91.000 TYR 59 0.840 63.893 35.580 -3.318 -99.200 -91.000 TYR 70 0.840 64.159 44.367 -0.843 -99.200 -91.000 PHE 83 1.000 54.571 53.677 7.009 -99.200 -91.000 PHE 102 1.000 52.042 47.733 14.229 -99.200 -91.000 TYR 103 0.840 46.137 48.435 15.701 -99.200 -91.000 PHE 107 1.000 45.927 55.146 15.147 -99.200 -91.000 PHE 124 1.000 43.559 46.823 25.821 -99.200 -91.000 TRP 125 1.040 35.670 51.105 19.528 -99.200 -91.000 TRP6 125 1.020 35.340 50.136 17.388 -99.200 -91.000 TYR 130 0.840 46.725 55.625 22.679 -99.200 -91.000 TYR 140 0.840 36.761 49.082 12.186 -99.200 -91.000 PHE 151 1.000 32.848 46.424 10.496 -99.200 -91.000 PHE 153 1.000 25.178 46.843 2.498 -99.200 -91.000 TYR 156 0.840 32.307 55.019 2.482 -99.200 -91.000 PHE 166 1.000 25.695 41.595 11.666 -99.200 -91.000 TYR 176 0.840 32.925 21.417 9.218 -99.200 -91.000 PHE 177 1.000 34.412 21.175 14.949 -99.200 -91.000 PHE 187 1.000 34.266 18.234 19.862 -99.200 -91.000 TYR 204 0.840 39.326 21.738 19.979 -99.200 -91.000 HIS 223 0.900 31.543 50.739 11.632 -99.200 -91.000 TYR 225 0.840 23.867 49.263 17.385 -99.200 -91.000 TYR 229 0.840 28.672 47.884 24.888 -99.200 -91.000 PHE 235 1.000 25.086 34.667 26.170 -99.200 -91.000 TYR 236 0.840 32.335 34.293 24.957 -99.200 -91.000 PHE 245 1.000 24.889 21.480 19.169 -99.200 -91.000 TYR 276 0.840 20.249 35.899 3.983 -99.200 -91.000 TYR 287 0.840 25.958 41.921 6.396 -99.200 -91.000 TYR 303 0.840 31.700 27.938 -2.006 -99.200 -91.000 TYR 307 0.840 42.230 36.898 -4.587 -99.200 -91.000