============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 9 0.840 141.646 101.460 -42.409 -99.200 -91.000 TYR 13 0.840 132.862 103.443 -48.282 -99.200 -91.000 PHE 15 1.000 132.241 100.546 -39.158 -99.200 -91.000 PHE 19 1.000 129.232 100.968 -28.220 -99.200 -91.000 HIS 21 0.900 125.177 108.630 -24.675 -99.200 -91.000 TYR 32 0.840 130.752 102.370 -25.003 -99.200 -91.000 PHE 40 1.000 130.977 97.537 -17.624 -99.200 -91.000 TRP 52 1.040 126.855 106.682 -35.281 -99.200 -91.000 TRP6 52 1.020 125.275 108.385 -35.692 -99.200 -91.000 TYR 69 0.840 139.329 84.427 -24.272 -99.200 -91.000 HIS 74 0.900 144.272 83.953 -20.869 -99.200 -91.000 HIS 84 0.900 124.956 74.806 -18.679 -99.200 -91.000 HIS 85 0.900 125.671 79.247 -20.597 -99.200 -91.000 HIS 99 0.900 129.603 80.900 -34.401 -99.200 -91.000 TYR 111 0.840 125.041 83.258 -36.340 -99.200 -91.000 PHE 118 1.000 140.777 75.173 -36.898 -99.200 -91.000 HIS 120 0.900 133.161 79.807 -32.646 -99.200 -91.000 HIS 139 0.900 118.205 95.715 -31.468 -99.200 -91.000 TYR 140 0.840 126.515 92.734 -33.041 -99.200 -91.000 TYR 142 0.840 128.436 90.455 -26.682 -99.200 -91.000 TYR 145 0.840 125.671 85.191 -16.598 -99.200 -91.000 PHE 176 1.000 131.603 96.474 -28.671 -99.200 -91.000