============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 15 0.900 29.663 107.495 61.096 -99.200 -91.000 TYR 20 0.840 40.532 117.043 63.118 -99.200 -91.000 PHE 27 1.000 34.449 127.195 61.943 -99.200 -91.000 HIS 33 0.900 29.987 131.968 50.396 -99.200 -91.000 PHE 43 1.000 25.524 132.912 52.201 -99.200 -91.000 PHE 49 1.000 20.401 118.665 61.357 -99.200 -91.000 HIS 55 0.900 23.946 118.904 57.255 -99.200 -91.000 PHE 58 1.000 20.132 124.450 60.383 -99.200 -91.000 PHE 59 1.000 24.794 122.927 61.244 -99.200 -91.000 TYR 60 0.840 27.148 128.820 54.555 -99.200 -91.000 PHE 65 1.000 25.832 123.075 67.273 -99.200 -91.000 PHE 82 1.000 40.987 108.690 65.520 -99.200 -91.000 PHE 99 1.000 27.919 135.620 57.837 -99.200 -91.000 TYR 103 0.840 21.099 124.389 65.919 -99.200 -91.000 HIS 106 0.900 13.106 122.447 69.333 -99.200 -91.000 TRP 127 1.040 35.949 99.614 56.925 -99.200 -91.000 TRP6 127 1.020 35.519 101.939 57.017 -99.200 -91.000 TYR 128 0.840 30.958 103.179 59.712 -99.200 -91.000 TYR 130 0.840 33.409 104.141 71.127 -99.200 -91.000 TYR 131 0.840 38.094 105.314 72.805 -99.200 -91.000 TYR 136 0.840 29.875 100.877 65.814 -99.200 -91.000