============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 11 1.000 1.493 -47.816 62.265 -99.200 -91.000 TRP 15 1.040 6.141 -42.532 65.840 -99.200 -91.000 TRP6 15 1.020 7.021 -44.357 67.049 -99.200 -91.000 TYR 25 0.840 4.305 -28.096 67.260 -99.200 -91.000 HIS 42 0.900 -2.111 -46.202 72.557 -99.200 -91.000 HIS 52 0.900 3.756 -28.974 77.659 -99.200 -91.000 TRP 56 1.040 -9.370 -31.630 73.463 -99.200 -91.000 TRP6 56 1.020 -10.562 -29.649 73.966 -99.200 -91.000 PHE 66 1.000 -13.423 -34.399 64.681 -99.200 -91.000 PHE 77 1.000 -0.015 -31.769 62.416 -99.200 -91.000 HIS 78 0.900 -9.461 -35.644 59.220 -99.200 -91.000 PHE 116 1.000 -7.197 -35.888 54.108 -99.200 -91.000 HIS 128 0.900 0.156 -49.129 32.073 -99.200 -91.000 TYR 133 0.840 1.117 -44.543 39.638 -99.200 -91.000 TRP 138 1.040 -5.728 -36.159 41.634 -99.200 -91.000 TRP6 138 1.020 -6.374 -36.050 43.901 -99.200 -91.000 PHE 143 1.000 -8.961 -50.664 38.079 -99.200 -91.000 TRP 152 1.040 -15.234 -51.468 46.885 -99.200 -91.000 TRP6 152 1.020 -16.828 -49.737 46.565 -99.200 -91.000 TYR 154 0.840 -11.430 -48.717 54.156 -99.200 -91.000 PHE 155 1.000 -7.765 -48.977 47.078 -99.200 -91.000 TRP 166 1.040 -6.324 -30.926 47.276 -99.200 -91.000 TRP6 166 1.020 -4.795 -29.421 48.233 -99.200 -91.000 TYR 168 0.840 -14.921 -25.873 53.208 -99.200 -91.000 PHE 176 1.000 -6.487 -29.916 52.556 -99.200 -91.000 PHE 188 1.000 2.832 -51.995 66.929 -99.200 -91.000 HIS 210 0.900 -4.059 -57.796 54.800 -99.200 -91.000 TYR 211 0.840 0.898 -63.092 50.223 -99.200 -91.000 PHE 219 1.000 6.967 -51.760 51.268 -99.200 -91.000 HIS 221 0.900 10.746 -46.350 60.594 -99.200 -91.000 HIS 229 0.900 1.574 -36.760 58.602 -99.200 -91.000 TYR 231 0.840 10.556 -30.112 55.842 -99.200 -91.000 PHE 233 1.000 1.425 -26.418 61.755 -99.200 -91.000 TYR 242 0.840 4.622 -31.005 49.727 -99.200 -91.000 HIS 247 0.900 13.404 -47.663 51.550 -99.200 -91.000 TYR 262 0.840 12.814 -60.576 61.124 -99.200 -91.000 TYR 265 0.840 8.814 -64.735 62.378 -99.200 -91.000 PHE 271 1.000 5.566 -64.051 48.008 -99.200 -91.000 PHE 283 1.000 2.426 -44.158 45.198 -99.200 -91.000 PHE 293 1.000 11.067 -35.701 55.348 -99.200 -91.000 PHE 295 1.000 11.346 -39.978 52.669 -99.200 -91.000 TYR 297 0.840 13.742 -43.934 61.142 -99.200 -91.000 PHE 303 1.000 8.665 -54.617 56.043 -99.200 -91.000 HIS 320 0.900 5.767 -68.057 61.359 -99.200 -91.000