============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 4 1.000 39.380 24.330 52.380 -99.200 -91.000 TYR 7 0.840 37.835 12.547 49.725 -99.200 -91.000 TYR 14 0.840 40.674 13.518 40.286 -99.200 -91.000 PHE 15 1.000 38.110 16.937 44.101 -99.200 -91.000 PHE 19 1.000 45.823 21.394 45.852 -99.200 -91.000 PHE 23 1.000 40.969 20.889 42.613 -99.200 -91.000 TRP 25 1.040 35.225 23.285 40.317 -99.200 -91.000 TRP6 25 1.020 33.300 24.500 39.670 -99.200 -91.000 TYR 31 0.840 19.185 26.451 38.892 -99.200 -91.000 PHE 36 1.000 19.784 24.893 30.292 -99.200 -91.000 HIS 40 0.900 37.715 26.176 33.488 -99.200 -91.000 TYR 51 0.840 39.212 27.900 45.807 -99.200 -91.000 PHE 60 1.000 19.215 30.810 36.107 -99.200 -91.000 TRP 74 1.040 21.856 26.362 46.869 -99.200 -91.000 TRP6 74 1.020 20.636 25.627 44.981 -99.200 -91.000 TYR 82 0.840 29.912 7.829 37.712 -99.200 -91.000 HIS 103 0.900 12.141 22.327 49.394 -99.200 -91.000 HIS 109 0.900 23.859 17.577 34.078 -99.200 -91.000 TYR 112 0.840 34.249 17.468 40.798 -99.200 -91.000 PHE 126 1.000 28.514 5.426 42.615 -99.200 -91.000 HIS 127 0.900 33.979 9.122 46.185 -99.200 -91.000 PHE 128 1.000 26.601 6.955 47.561 -99.200 -91.000 HIS 131 0.900 29.144 18.510 48.513 -99.200 -91.000 HIS 143 0.900 30.234 43.806 51.409 -99.200 -91.000 TYR 144 0.840 25.160 37.807 48.695 -99.200 -91.000 TYR 147 0.840 29.693 25.491 57.937 -99.200 -91.000 TYR 154 0.840 33.676 3.257 49.856 -99.200 -91.000 HIS 163 0.900 28.821 -6.007 45.662 -99.200 -91.000 HIS 164 0.900 34.901 -1.213 49.604 -99.200 -91.000