============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 30 0.900 16.841 -5.340 27.400 -99.200 -91.000 TYR 34 0.840 22.224 -8.899 32.484 -99.200 -91.000 TYR 36 0.840 20.936 -3.290 30.264 -99.200 -91.000 HIS 38 0.900 25.159 1.500 33.173 -99.200 -91.000 TRP 39 1.040 24.428 5.140 40.824 -99.200 -91.000 TRP6 39 1.020 23.475 7.133 41.637 -99.200 -91.000 PHE 40 1.000 28.228 7.037 33.616 -99.200 -91.000 TYR 53 0.840 29.796 -3.090 35.383 -99.200 -91.000 PHE 66 1.000 32.724 6.027 45.170 -99.200 -91.000 PHE 75 1.000 17.400 2.406 39.781 -99.200 -91.000 PHE 79 1.000 29.868 8.921 47.986 -99.200 -91.000 TYR 90 0.840 30.103 11.467 43.555 -99.200 -91.000 TYR 91 0.840 26.325 14.523 36.142 -99.200 -91.000 HIS 95 0.900 23.961 1.634 28.047 -99.200 -91.000 TYR 98 0.840 19.578 3.546 21.389 -99.200 -91.000 PHE 100 1.000 21.682 4.668 25.162 -99.200 -91.000 PHE 102 1.000 24.471 10.905 30.791 -99.200 -91.000 PHE 122 1.000 47.412 40.563 43.646 -99.200 -91.000 PHE 139 1.000 43.937 36.395 42.304 -99.200 -91.000 PHE 143 1.000 35.645 31.683 49.995 -99.200 -91.000 TYR 144 0.840 33.221 24.684 54.663 -99.200 -91.000 TRP 152 1.040 35.496 45.086 43.164 -99.200 -91.000 TRP6 152 1.020 37.820 45.415 43.476 -99.200 -91.000 TRP 167 1.040 32.160 32.805 43.318 -99.200 -91.000 TRP6 167 1.020 30.886 33.847 41.610 -99.200 -91.000 TYR 177 0.840 33.440 25.689 48.527 -99.200 -91.000 TYR 190 0.840 44.000 53.015 38.520 -99.200 -91.000 HIS 193 0.900 36.714 58.054 40.769 -99.200 -91.000 TYR 196 0.840 40.747 52.755 42.233 -99.200 -91.000 HIS 202 0.900 33.544 33.079 54.841 -99.200 -91.000 PHE 213 1.000 44.974 49.829 44.515 -99.200 -91.000