============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 16.623 33.648 111.344 -99.200 -91.000 TRP6 14 1.020 15.474 32.455 113.035 -99.200 -91.000 PHE 19 1.000 19.731 35.901 91.886 -99.200 -91.000 TRP 37 1.040 9.302 47.099 107.507 -99.200 -91.000 TRP6 37 1.020 10.443 48.965 106.602 -99.200 -91.000 HIS 43 0.900 29.378 45.278 102.941 -99.200 -91.000 TYR 47 0.840 32.891 49.778 99.685 -99.200 -91.000 TRP 49 1.040 34.823 46.973 96.300 -99.200 -91.000 TRP6 49 1.020 34.037 45.244 97.707 -99.200 -91.000 PHE 53 1.000 23.658 46.457 93.078 -99.200 -91.000 HIS 65 0.900 19.337 23.443 102.539 -99.200 -91.000 TYR 70 0.840 12.232 29.598 90.996 -99.200 -91.000 TYR 84 0.840 13.011 53.282 104.137 -99.200 -91.000 HIS 86 0.900 22.522 55.053 110.887 -99.200 -91.000 TYR 89 0.840 27.456 52.382 104.336 -99.200 -91.000 TRP 91 1.040 29.766 55.992 101.310 -99.200 -91.000 TRP6 91 1.020 31.367 56.771 99.755 -99.200 -91.000 PHE 110 1.000 5.918 35.833 108.932 -99.200 -91.000 TYR 113 0.840 9.927 24.699 104.051 -99.200 -91.000 HIS 115 0.900 8.277 32.260 112.597 -99.200 -91.000 TYR 132 0.840 27.741 34.443 127.799 -99.200 -91.000 TRP 139 1.040 22.731 30.265 100.425 -99.200 -91.000 TRP6 139 1.020 21.086 31.780 101.206 -99.200 -91.000 TRP 146 1.040 44.438 32.091 98.491 -99.200 -91.000 TRP6 146 1.020 45.203 29.897 98.024 -99.200 -91.000 PHE 178 1.000 28.570 41.308 117.320 -99.200 -91.000 TYR 182 0.840 35.982 28.832 117.974 -99.200 -91.000 PHE 201 1.000 27.426 36.552 116.420 -99.200 -91.000 PHE 207 1.000 12.893 34.627 131.046 -99.200 -91.000 TRP 211 1.040 16.941 30.266 117.358 -99.200 -91.000 TRP6 211 1.020 19.260 29.793 117.433 -99.200 -91.000 TYR 212 0.840 15.651 37.686 121.568 -99.200 -91.000 TRP 219 1.040 34.394 45.764 109.347 -99.200 -91.000 TRP6 219 1.020 36.661 45.724 110.112 -99.200 -91.000 TYR 229 0.840 40.037 37.538 116.741 -99.200 -91.000 PHE 231 1.000 36.427 43.770 113.649 -99.200 -91.000 TYR 232 0.840 30.067 38.776 112.724 -99.200 -91.000 HIS 234 0.900 26.054 46.292 119.813 -99.200 -91.000 PHE 236 1.000 19.994 47.406 122.832 -99.200 -91.000 TRP 241 1.040 18.287 54.415 110.759 -99.200 -91.000 TRP6 241 1.020 18.415 52.421 109.489 -99.200 -91.000 PHE 249 1.000 10.118 56.635 106.116 -99.200 -91.000