============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 4 0.840 17.971 6.631 10.518 -99.200 -91.000 PHE 12 1.000 30.366 15.921 3.010 -99.200 -91.000 TYR 16 0.840 22.609 8.606 11.688 -99.200 -91.000 TYR 32 0.840 32.807 0.652 14.218 -99.200 -91.000 HIS 34 0.900 35.894 5.014 9.569 -99.200 -91.000 PHE 40 1.000 43.553 3.413 6.313 -99.200 -91.000 TYR 50 0.840 34.858 -9.059 14.782 -99.200 -91.000 HIS 57 0.900 20.032 -9.659 24.291 -99.200 -91.000 TYR 58 0.840 23.919 -3.740 24.769 -99.200 -91.000 TYR 65 0.840 35.910 9.828 10.838 -99.200 -91.000 TYR 81 0.840 32.686 16.292 19.868 -99.200 -91.000 PHE 84 1.000 27.132 10.792 21.231 -99.200 -91.000 TYR 91 0.840 19.281 4.821 19.551 -99.200 -91.000 PHE 97 1.000 26.882 1.417 26.829 -99.200 -91.000 PHE 99 1.000 33.651 -1.418 18.882 -99.200 -91.000 TYR 106 0.840 42.132 11.758 19.267 -99.200 -91.000 PHE 123 1.000 37.792 -4.029 20.416 -99.200 -91.000 TYR 124 0.840 42.599 -2.103 17.195 -99.200 -91.000 TYR 126 0.840 45.120 7.834 18.618 -99.200 -91.000 PHE 134 1.000 49.740 8.647 18.012 -99.200 -91.000 TYR 140 0.840 54.197 -2.453 10.318 -99.200 -91.000 TYR 141 0.840 52.362 2.262 9.525 -99.200 -91.000 PHE 171 1.000 47.169 0.650 2.268 -99.200 -91.000 TYR 174 0.840 48.020 5.587 9.439 -99.200 -91.000 TYR 176 0.840 54.592 10.802 2.117 -99.200 -91.000 TRP 183 1.040 48.398 10.715 11.560 -99.200 -91.000 TRP6 183 1.020 47.776 10.839 13.822 -99.200 -91.000 TYR 192 0.840 51.746 19.107 18.104 -99.200 -91.000 TYR 197 0.840 42.960 19.939 18.554 -99.200 -91.000 PHE 211 1.000 36.524 -4.915 26.725 -99.200 -91.000 HIS 214 0.900 46.969 -0.597 22.392 -99.200 -91.000 TYR 219 0.840 51.825 -2.996 13.117 -99.200 -91.000 HIS 228 0.900 48.074 9.353 29.633 -99.200 -91.000 HIS 232 0.900 46.079 9.969 34.641 -99.200 -91.000 HIS 235 0.900 34.077 3.147 37.655 -99.200 -91.000 PHE 238 1.000 45.417 -3.125 29.039 -99.200 -91.000 HIS 246 0.900 46.494 -0.424 15.221 -99.200 -91.000 PHE 248 1.000 42.061 -7.230 19.322 -99.200 -91.000 TYR 260 0.840 34.495 -7.407 18.272 -99.200 -91.000 PHE 266 1.000 32.796 -1.784 29.540 -99.200 -91.000