============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 -4.450 35.163 40.455 -99.200 -91.000 PHE 29 1.000 -3.859 31.799 45.699 -99.200 -91.000 TYR 32 0.840 -8.501 32.253 38.272 -99.200 -91.000 TRP 33 1.040 -8.580 23.702 39.513 -99.200 -91.000 TRP6 33 1.020 -8.401 21.927 37.959 -99.200 -91.000 TRP 36 1.040 3.948 24.631 43.930 -99.200 -91.000 TRP6 36 1.020 5.656 26.269 44.081 -99.200 -91.000 TRP 47 1.040 1.088 18.805 37.384 -99.200 -91.000 TRP6 47 1.020 0.341 16.718 38.209 -99.200 -91.000 TYR 58 0.840 -9.069 24.724 50.374 -99.200 -91.000 HIS 61 0.900 -6.129 15.584 41.615 -99.200 -91.000 TYR 62 0.840 0.539 15.806 46.150 -99.200 -91.000 PHE 70 1.000 8.587 17.099 45.976 -99.200 -91.000 TYR 82 0.840 2.139 28.636 51.775 -99.200 -91.000 TYR 95 0.840 10.968 22.027 42.377 -99.200 -91.000 TYR 96 0.840 9.918 27.924 35.937 -99.200 -91.000 TYR 108 0.840 -1.633 35.773 33.542 -99.200 -91.000 TRP 109 1.040 3.567 29.149 33.432 -99.200 -91.000 TRP6 109 1.020 4.888 27.186 33.408 -99.200 -91.000 TYR 128 0.840 38.101 37.001 42.741 -99.200 -91.000 TYR 151 0.840 28.135 30.940 41.189 -99.200 -91.000 PHE 152 1.000 27.006 22.860 44.306 -99.200 -91.000 TRP 160 1.040 26.331 45.298 35.956 -99.200 -91.000 TRP6 160 1.020 28.585 45.737 36.541 -99.200 -91.000 TYR 162 0.840 21.990 49.311 45.125 -99.200 -91.000 PHE 180 1.000 34.015 25.601 44.941 -99.200 -91.000 TYR 181 0.840 27.190 25.624 38.971 -99.200 -91.000 TRP 194 1.040 33.954 53.917 35.892 -99.200 -91.000 TRP6 194 1.020 36.074 53.015 35.364 -99.200 -91.000 HIS 205 0.900 25.074 31.387 46.191 -99.200 -91.000