============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 18 0.840 79.096 -63.863 60.222 -99.200 -91.000 TYR 19 0.840 84.050 -65.233 62.485 -99.200 -91.000 TYR 21 0.840 78.870 -59.303 57.336 -99.200 -91.000 HIS 23 0.900 84.772 -61.127 64.816 -99.200 -91.000 PHE 31 1.000 77.625 -50.758 57.508 -99.200 -91.000 TYR 38 0.840 83.136 -57.197 46.214 -99.200 -91.000 TYR 41 0.840 82.009 -63.660 47.772 -99.200 -91.000 TYR 48 0.840 83.221 -75.053 48.610 -99.200 -91.000 TYR 66 0.840 87.406 -85.044 55.828 -99.200 -91.000 TYR 74 0.840 81.013 -71.585 48.919 -99.200 -91.000 TYR 77 0.840 79.610 -69.355 59.086 -99.200 -91.000 PHE 79 1.000 76.469 -67.793 45.603 -99.200 -91.000 TYR 93 0.840 78.515 -56.235 54.718 -99.200 -91.000 TYR 97 0.840 79.233 -50.978 52.259 -99.200 -91.000 TYR 99 0.840 68.953 -51.179 48.035 -99.200 -91.000 TYR 126 0.840 60.271 -38.499 42.879 -99.200 -91.000 HIS 127 0.900 59.780 -40.389 37.991 -99.200 -91.000 TYR 131 0.840 63.072 -50.275 39.359 -99.200 -91.000 TYR 144 0.840 73.041 -64.386 61.153 -99.200 -91.000 PHE 156 1.000 75.641 -46.618 53.706 -99.200 -91.000 TYR 169 0.840 53.595 -31.954 47.904 -99.200 -91.000 TYR 202 0.840 49.373 -32.749 44.285 -99.200 -91.000 PHE 210 1.000 64.583 -28.821 40.712 -99.200 -91.000 TYR 225 0.840 41.787 -25.904 30.285 -99.200 -91.000 PHE 244 1.000 20.507 -7.341 28.916 -99.200 -91.000 PHE 248 1.000 30.364 -10.906 27.755 -99.200 -91.000 PHE 262 1.000 25.071 -7.235 24.218 -99.200 -91.000 TYR 274 0.840 14.271 -0.027 19.129 -99.200 -91.000 TYR 292 0.840 17.799 4.577 23.620 -99.200 -91.000 TYR 301 0.840 11.504 -8.398 28.922 -99.200 -91.000 PHE 316 1.000 32.547 -13.998 23.621 -99.200 -91.000 PHE 323 1.000 16.511 -10.078 31.232 -99.200 -91.000 TYR 325 0.840 12.047 -5.834 36.386 -99.200 -91.000 PHE 335 1.000 16.119 2.937 61.378 -99.200 -91.000 PHE 337 1.000 22.840 -3.896 64.583 -99.200 -91.000 TYR 351 0.840 24.270 1.456 60.887 -99.200 -91.000 PHE 366 1.000 15.261 -2.212 49.234 -99.200 -91.000 PHE 370 1.000 17.291 6.284 55.194 -99.200 -91.000 PHE 381 1.000 26.691 8.838 53.547 -99.200 -91.000