============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 3 0.900 19.713 10.353 124.758 -99.200 -91.000 TYR 4 0.840 19.505 15.806 125.106 -99.200 -91.000 PHE 10 1.000 29.404 6.578 121.468 -99.200 -91.000 HIS 24 0.900 30.799 3.187 131.250 -99.200 -91.000 TYR 25 0.840 31.019 7.422 129.185 -99.200 -91.000 TYR 47 0.840 31.241 11.379 107.381 -99.200 -91.000 TYR 97 0.840 33.080 21.011 113.698 -99.200 -91.000 HIS 118 0.900 35.708 34.102 87.004 -99.200 -91.000 HIS 123 0.900 24.207 25.110 80.409 -99.200 -91.000 TYR 124 0.840 18.913 28.608 83.987 -99.200 -91.000 TYR 130 0.840 34.879 27.462 84.227 -99.200 -91.000 TYR 132 0.840 36.228 21.350 81.765 -99.200 -91.000 HIS 134 0.900 38.275 18.229 84.710 -99.200 -91.000 HIS 135 0.900 39.315 22.379 78.060 -99.200 -91.000 PHE 136 1.000 44.122 25.859 81.783 -99.200 -91.000 TRP 140 1.040 45.337 24.845 90.317 -99.200 -91.000 TRP6 140 1.020 46.932 26.544 89.882 -99.200 -91.000 TYR 145 0.840 38.158 28.421 90.650 -99.200 -91.000 TYR 155 0.840 36.432 30.995 104.662 -99.200 -91.000 TYR 156 0.840 42.167 22.099 104.738 -99.200 -91.000 TYR 164 0.840 42.997 10.877 101.803 -99.200 -91.000 TYR 172 0.840 45.287 25.257 101.825 -99.200 -91.000 TYR 173 0.840 50.408 24.622 103.656 -99.200 -91.000 TRP 178 1.040 51.936 24.732 91.389 -99.200 -91.000 TRP6 178 1.020 50.373 22.980 91.112 -99.200 -91.000