============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 13 0.900 105.601 25.615 44.901 -99.200 -91.000 PHE 16 1.000 102.051 22.917 30.409 -99.200 -91.000 PHE 21 1.000 96.709 25.568 36.760 -99.200 -91.000 PHE 25 1.000 97.904 31.301 38.026 -99.200 -91.000 HIS 31 0.900 95.423 46.157 33.017 -99.200 -91.000 PHE 42 1.000 91.495 48.284 50.588 -99.200 -91.000 PHE 47 1.000 85.625 37.750 54.600 -99.200 -91.000 PHE 93 1.000 94.680 26.597 49.800 -99.200 -91.000 TYR 99 0.840 84.603 31.860 53.923 -99.200 -91.000 TRP 101 1.040 80.097 33.192 51.013 -99.200 -91.000 TRP6 101 1.020 82.129 34.420 50.927 -99.200 -91.000 TYR 116 0.840 83.672 30.243 37.561 -99.200 -91.000 HIS 117 0.900 79.660 32.352 29.129 -99.200 -91.000 PHE 132 1.000 80.126 39.881 51.034 -99.200 -91.000 PHE 137 1.000 81.238 39.677 42.041 -99.200 -91.000 TYR 155 0.840 67.122 42.787 30.716 -99.200 -91.000 HIS 164 0.900 65.730 42.770 44.880 -99.200 -91.000 HIS 165 0.900 70.005 40.982 46.225 -99.200 -91.000 PHE 172 1.000 90.079 48.138 35.554 -99.200 -91.000 PHE 179 1.000 93.672 38.575 33.156 -99.200 -91.000 PHE 180 1.000 102.088 31.889 31.551 -99.200 -91.000 TRP 186 1.040 89.877 41.946 25.051 -99.200 -91.000 TRP6 186 1.020 90.722 44.118 25.472 -99.200 -91.000 PHE 204 1.000 65.572 38.344 41.718 -99.200 -91.000 PHE 211 1.000 64.724 37.309 31.613 -99.200 -91.000 TYR 227 0.840 54.516 32.343 38.297 -99.200 -91.000 PHE 255 1.000 60.696 40.505 34.494 -99.200 -91.000