============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 4 0.840 54.066 -8.246 35.892 -99.200 -91.000 PHE 13 1.000 51.605 -9.712 24.990 -99.200 -91.000 TYR 14 0.840 58.066 -5.810 23.395 -99.200 -91.000 HIS 15 0.900 57.036 -11.073 29.324 -99.200 -91.000 TYR 16 0.840 54.760 -12.842 22.609 -99.200 -91.000 TYR 17 0.840 57.904 -9.626 20.349 -99.200 -91.000 PHE 34 1.000 54.828 -4.448 -0.399 -99.200 -91.000 TRP 39 1.040 52.019 -9.869 18.205 -99.200 -91.000 TRP6 39 1.020 50.280 -8.660 19.261 -99.200 -91.000 PHE 50 1.000 52.018 -17.068 8.071 -99.200 -91.000 PHE 59 1.000 46.030 2.739 3.441 -99.200 -91.000 HIS 61 0.900 41.267 -4.235 10.268 -99.200 -91.000 PHE 70 1.000 46.842 -12.398 4.005 -99.200 -91.000 PHE 74 1.000 57.215 -15.875 5.735 -99.200 -91.000 HIS 75 0.900 61.216 -9.696 2.447 -99.200 -91.000 PHE 77 1.000 72.002 -11.027 8.266 -99.200 -91.000 HIS 84 0.900 62.732 0.295 12.263 -99.200 -91.000 TRP 85 1.040 60.944 3.863 5.170 -99.200 -91.000 TRP6 85 1.020 59.394 3.580 3.409 -99.200 -91.000 HIS 89 0.900 58.428 5.938 7.753 -99.200 -91.000 HIS 101 0.900 55.402 -3.723 -5.852 -99.200 -91.000 PHE 102 1.000 57.522 -11.492 -6.953 -99.200 -91.000 HIS 105 0.900 52.312 -17.622 -10.238 -99.200 -91.000 TYR 115 0.840 63.898 -16.210 4.381 -99.200 -91.000 TYR 118 0.840 53.837 -19.741 3.201 -99.200 -91.000 HIS 126 0.900 37.495 -16.128 13.714 -99.200 -91.000 PHE 128 1.000 41.091 -14.370 18.358 -99.200 -91.000 HIS 131 0.900 47.224 -5.892 17.514 -99.200 -91.000 PHE 134 1.000 42.782 -9.047 8.803 -99.200 -91.000 TRP 142 1.040 55.589 -16.576 -5.436 -99.200 -91.000 TRP6 142 1.020 56.389 -16.128 -7.615 -99.200 -91.000 TYR 162 0.840 60.273 -5.893 15.919 -99.200 -91.000 TYR 163 0.840 66.338 -10.066 19.557 -99.200 -91.000 TYR 168 0.840 63.907 -4.893 13.040 -99.200 -91.000 PHE 176 1.000 73.672 -26.491 18.834 -99.200 -91.000