============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 21 0.840 32.249 121.407 191.523 -99.200 -91.000 TYR 24 0.840 26.734 117.016 193.576 -99.200 -91.000 TYR 26 0.840 26.977 123.588 184.408 -99.200 -91.000 TYR 32 0.840 19.003 130.820 192.557 -99.200 -91.000 PHE 33 1.000 18.526 129.177 187.329 -99.200 -91.000 PHE 38 1.000 12.360 132.704 187.607 -99.200 -91.000 PHE 41 1.000 15.447 131.272 183.323 -99.200 -91.000 HIS 43 0.900 13.946 120.624 180.474 -99.200 -91.000 TRP 44 1.040 19.749 125.782 179.028 -99.200 -91.000 TRP6 44 1.020 21.916 126.065 179.895 -99.200 -91.000 HIS 55 0.900 31.101 117.882 177.713 -99.200 -91.000 PHE 59 1.000 38.227 114.740 179.246 -99.200 -91.000 TYR 60 0.840 34.859 104.707 182.600 -99.200 -91.000 TYR 62 0.840 42.605 109.372 174.611 -99.200 -91.000 TYR 64 0.840 39.128 102.249 182.336 -99.200 -91.000 TRP 82 1.040 24.962 130.895 191.912 -99.200 -91.000 TRP6 82 1.020 24.410 128.623 192.261 -99.200 -91.000 PHE 89 1.000 21.330 130.963 182.943 -99.200 -91.000 HIS 95 0.900 32.546 124.793 186.522 -99.200 -91.000 PHE 98 1.000 38.483 125.429 186.983 -99.200 -91.000 TYR 104 0.840 42.312 126.770 175.614 -99.200 -91.000 HIS 116 0.900 52.638 114.140 167.779 -99.200 -91.000 PHE 121 1.000 39.689 112.313 174.319 -99.200 -91.000 TRP 124 1.040 33.690 116.351 170.168 -99.200 -91.000 TRP6 124 1.020 32.634 116.572 172.276 -99.200 -91.000 PHE 125 1.000 36.417 116.352 175.663 -99.200 -91.000 PHE 154 1.000 6.267 134.843 184.520 -99.200 -91.000 TYR 159 0.840 14.447 129.261 173.116 -99.200 -91.000