============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 4 0.900 33.848 63.578 91.825 -99.200 -91.000 TYR 8 0.840 21.100 55.278 94.064 -99.200 -91.000 PHE 23 1.000 13.624 46.820 95.710 -99.200 -91.000 HIS 28 0.900 27.748 50.278 88.983 -99.200 -91.000 PHE 34 1.000 27.007 53.358 96.280 -99.200 -91.000 TYR 37 0.840 17.049 45.185 97.829 -99.200 -91.000 TRP 50 1.040 36.009 54.032 99.186 -99.200 -91.000 TRP6 50 1.020 33.807 54.816 98.844 -99.200 -91.000 TRP 60 1.040 26.042 50.117 104.099 -99.200 -91.000 TRP6 60 1.020 26.374 50.526 101.791 -99.200 -91.000 HIS 80 0.900 -1.483 50.692 88.043 -99.200 -91.000 HIS 89 0.900 5.551 40.587 79.797 -99.200 -91.000 HIS 100 0.900 28.754 67.752 84.385 -99.200 -91.000 HIS 110 0.900 17.994 58.352 81.097 -99.200 -91.000 PHE 111 1.000 11.012 55.363 84.564 -99.200 -91.000 TYR 112 0.840 16.948 51.763 79.633 -99.200 -91.000 TYR 113 0.840 7.269 46.222 79.190 -99.200 -91.000 PHE 118 1.000 8.949 52.784 79.250 -99.200 -91.000 PHE 146 1.000 0.285 54.025 88.449 -99.200 -91.000 TRP 147 1.040 4.493 57.352 87.095 -99.200 -91.000 TRP6 147 1.020 6.377 57.739 85.728 -99.200 -91.000 HIS 154 0.900 7.462 61.406 92.992 -99.200 -91.000 TYR 155 0.840 8.627 63.765 87.698 -99.200 -91.000 TYR 169 0.840 26.578 57.596 99.398 -99.200 -91.000