============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 3 0.900 63.112 29.848 163.383 -99.200 -91.000 TYR 4 0.840 62.782 29.650 168.708 -99.200 -91.000 PHE 10 1.000 73.532 32.233 159.787 -99.200 -91.000 HIS 24 0.900 73.993 22.294 156.646 -99.200 -91.000 TYR 25 0.840 74.256 24.437 160.913 -99.200 -91.000 TYR 47 0.840 76.225 46.103 164.740 -99.200 -91.000 TYR 97 0.840 76.987 39.747 174.411 -99.200 -91.000 HIS 118 0.900 81.602 66.107 187.677 -99.200 -91.000 HIS 123 0.900 71.448 73.749 177.965 -99.200 -91.000 TYR 124 0.840 65.586 70.675 181.651 -99.200 -91.000 TYR 129 0.840 81.461 68.823 180.987 -99.200 -91.000 TYR 131 0.840 83.246 71.290 174.770 -99.200 -91.000 HIS 133 0.900 85.204 68.055 171.838 -99.200 -91.000 HIS 134 0.900 86.814 74.606 175.820 -99.200 -91.000 PHE 135 1.000 90.824 70.497 179.843 -99.200 -91.000 TRP 139 1.040 91.359 61.898 178.777 -99.200 -91.000 TRP6 139 1.020 92.913 62.194 180.542 -99.200 -91.000 TYR 144 0.840 84.033 62.135 182.023 -99.200 -91.000 TYR 154 0.840 80.723 48.526 184.673 -99.200 -91.000 TYR 155 0.840 86.748 47.784 176.096 -99.200 -91.000 TYR 163 0.840 88.532 50.422 164.815 -99.200 -91.000 TYR 171 0.840 90.108 50.595 179.222 -99.200 -91.000 TYR 172 0.840 94.947 48.120 179.042 -99.200 -91.000 TRP 177 1.040 97.827 60.260 178.912 -99.200 -91.000 TRP6 177 1.020 96.359 60.544 177.081 -99.200 -91.000