============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 2 0.840 79.503 10.830 48.344 -99.200 -91.000 TYR 9 0.840 98.759 12.487 40.433 -99.200 -91.000 TYR 11 0.840 97.501 20.013 43.899 -99.200 -91.000 HIS 17 0.900 103.493 15.135 28.808 -99.200 -91.000 PHE 18 1.000 96.344 16.464 31.294 -99.200 -91.000 HIS 26 0.900 89.839 19.420 36.605 -99.200 -91.000 HIS 27 0.900 92.540 17.517 44.791 -99.200 -91.000 HIS 30 0.900 86.629 24.089 38.368 -99.200 -91.000 HIS 31 0.900 86.869 15.449 43.157 -99.200 -91.000 TYR 34 0.840 82.054 19.345 40.287 -99.200 -91.000 PHE 48 1.000 68.579 6.613 48.025 -99.200 -91.000 HIS 78 0.900 83.318 12.286 45.324 -99.200 -91.000 HIS 81 0.900 85.631 16.440 38.047 -99.200 -91.000 PHE 84 1.000 90.968 13.954 34.297 -99.200 -91.000 TRP 85 1.040 91.121 14.030 41.066 -99.200 -91.000 TRP6 85 1.020 91.637 15.765 39.546 -99.200 -91.000 PHE 106 1.000 87.959 0.568 20.257 -99.200 -91.000 PHE 112 1.000 91.342 3.579 22.802 -99.200 -91.000 PHE 116 1.000 89.369 8.875 24.841 -99.200 -91.000 PHE 124 1.000 78.563 23.197 20.421 -99.200 -91.000 TRP 128 1.040 83.590 14.448 32.443 -99.200 -91.000 TRP6 128 1.020 85.486 13.807 33.707 -99.200 -91.000 TRP 130 1.040 82.717 8.800 29.872 -99.200 -91.000 TRP6 130 1.020 83.544 8.884 32.083 -99.200 -91.000 PHE 161 1.000 84.027 -0.974 35.495 -99.200 -91.000 TRP 169 1.040 82.601 19.633 32.260 -99.200 -91.000 TRP6 169 1.020 81.197 21.118 33.460 -99.200 -91.000 HIS 171 0.900 86.236 22.317 34.833 -99.200 -91.000 TYR 173 0.840 89.770 22.385 26.711 -99.200 -91.000 TYR 174 0.840 89.806 28.951 27.164 -99.200 -91.000 PHE 177 1.000 96.914 21.797 26.553 -99.200 -91.000 TYR 184 0.840 92.572 18.351 28.002 -99.200 -91.000 PHE 188 1.000 93.557 11.040 28.559 -99.200 -91.000 TRP 189 1.040 96.300 9.985 22.762 -99.200 -91.000 TRP6 189 1.020 94.742 8.410 23.589 -99.200 -91.000 TRP 194 1.040 98.133 3.495 28.427 -99.200 -91.000 TRP6 194 1.020 95.981 3.292 27.467 -99.200 -91.000 PHE 201 1.000 89.822 -5.776 29.701 -99.200 -91.000