============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 4 0.840 18.942 25.780 1.706 -99.200 -91.000 TYR 37 0.840 28.559 28.999 16.994 -99.200 -91.000 PHE 44 1.000 23.783 27.927 11.227 -99.200 -91.000 PHE 45 1.000 19.014 30.594 3.933 -99.200 -91.000 PHE 61 1.000 22.075 40.979 1.612 -99.200 -91.000 PHE 62 1.000 26.372 37.541 1.196 -99.200 -91.000 HIS 65 0.900 22.141 45.162 0.454 -99.200 -91.000 TYR 66 0.840 26.698 43.236 4.729 -99.200 -91.000 PHE 68 1.000 32.755 43.209 3.716 -99.200 -91.000 PHE 72 1.000 26.857 32.630 -1.541 -99.200 -91.000 PHE 80 1.000 27.404 19.532 9.168 -99.200 -91.000 TRP 90 1.040 41.760 10.953 9.792 -99.200 -91.000 TRP6 90 1.020 41.446 13.279 9.465 -99.200 -91.000 TRP 91 1.040 35.844 15.494 12.020 -99.200 -91.000 TRP6 91 1.020 37.084 17.349 11.227 -99.200 -91.000 PHE 100 1.000 34.395 19.782 6.036 -99.200 -91.000 PHE 102 1.000 31.840 23.663 6.343 -99.200 -91.000 TYR 103 0.840 35.158 20.862 -1.590 -99.200 -91.000 TYR 127 0.840 37.621 10.637 3.278 -99.200 -91.000 PHE 128 1.000 41.079 15.714 -1.517 -99.200 -91.000 PHE 134 1.000 35.488 15.321 7.010 -99.200 -91.000 TRP 135 1.040 45.152 19.414 5.905 -99.200 -91.000 TRP6 135 1.020 45.315 20.533 3.851 -99.200 -91.000 PHE 138 1.000 48.119 12.833 12.639 -99.200 -91.000 TYR 143 0.840 49.876 24.472 12.252 -99.200 -91.000 TYR 148 0.840 45.330 24.023 7.621 -99.200 -91.000 HIS 149 0.900 52.564 27.650 9.232 -99.200 -91.000 TYR 151 0.840 53.968 23.468 0.856 -99.200 -91.000 PHE 157 1.000 42.464 25.197 -2.530 -99.200 -91.000 TYR 158 0.840 43.479 31.179 2.653 -99.200 -91.000 HIS 160 0.900 37.175 32.228 -4.890 -99.200 -91.000 PHE 169 1.000 32.083 19.058 10.155 -99.200 -91.000