============================================================================= 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. TYR 14 0.840 72.895 17.931 47.370 -99.200 -91.000 PHE 38 1.000 76.285 19.033 64.514 -99.200 -91.000 TRP 39 1.040 83.308 16.793 62.003 -99.200 -91.000 TRP6 39 1.020 84.411 18.672 61.072 -99.200 -91.000 PHE 59 1.000 79.901 25.476 69.780 -99.200 -91.000 TYR 67 0.840 81.432 22.583 74.485 -99.200 -91.000 PHE 74 1.000 85.526 13.617 66.120 -99.200 -91.000 TYR 78 0.840 84.705 12.438 57.664 -99.200 -91.000 TRP 88 1.040 84.417 12.356 71.450 -99.200 -91.000 TRP6 88 1.020 82.705 12.234 69.821 -99.200 -91.000 TYR 122 0.840 72.125 1.451 61.029 -99.200 -91.000 TYR 129 0.840 86.131 2.458 67.518 -99.200 -91.000 TYR 140 0.840 78.137 9.972 70.209 -99.200 -91.000 TYR 158 0.840 68.342 9.724 58.140 -99.200 -91.000 TYR 161 0.840 62.837 16.490 46.297 -99.200 -91.000 PHE 174 1.000 67.134 15.016 60.442 -99.200 -91.000 TYR 182 0.840 56.946 8.123 47.120 -99.200 -91.000 PHE 211 1.000 77.732 -4.249 32.135 -99.200 -91.000 PHE 213 1.000 78.082 -4.483 43.059 -99.200 -91.000 TYR 227 0.840 83.976 7.015 44.806 -99.200 -91.000 PHE 228 1.000 78.976 0.318 41.083 -99.200 -91.000 PHE 232 1.000 79.318 -4.048 38.612 -99.200 -91.000 TYR 252 0.840 95.976 3.018 39.295 -99.200 -91.000 TYR 254 0.840 87.595 3.575 35.248 -99.200 -91.000 PHE 255 1.000 90.701 12.434 34.740 -99.200 -91.000 PHE 268 1.000 72.903 2.751 39.472 -99.200 -91.000 PHE 270 1.000 69.293 -0.271 44.540 -99.200 -91.000 TYR 283 0.840 76.237 7.589 35.942 -99.200 -91.000 TYR 285 0.840 82.293 16.490 39.653 -99.200 -91.000 TRP 294 1.040 81.978 6.967 33.688 -99.200 -91.000 TRP6 294 1.020 82.254 4.695 34.313 -99.200 -91.000 PHE 308 1.000 71.040 5.265 43.439 -99.200 -91.000 HIS 311 0.900 68.896 11.791 38.745 -99.200 -91.000 TYR 313 0.840 61.084 11.395 49.256 -99.200 -91.000 TYR 316 0.840 69.016 7.073 53.733 -99.200 -91.000 TYR 330 0.840 64.298 15.645 40.073 -99.200 -91.000