============================================================================= 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. TYR 24 0.840 71.352 46.344 32.391 -99.200 -91.000 PHE 29 1.000 68.482 46.788 38.558 -99.200 -91.000 TYR 32 0.840 57.791 48.234 44.461 -99.200 -91.000 TRP 33 1.040 55.936 40.621 42.974 -99.200 -91.000 TRP6 33 1.020 55.174 39.893 40.864 -99.200 -91.000 HIS 38 0.900 37.121 45.864 43.420 -99.200 -91.000 TRP 44 1.040 55.150 47.411 49.224 -99.200 -91.000 TRP6 44 1.020 55.790 46.283 51.198 -99.200 -91.000 HIS 51 0.900 75.079 41.678 46.005 -99.200 -91.000 TYR 57 0.840 56.686 37.979 52.273 -99.200 -91.000 PHE 61 1.000 48.088 41.863 50.476 -99.200 -91.000 TYR 77 0.840 59.080 32.509 39.025 -99.200 -91.000 HIS 79 0.900 52.598 29.376 45.436 -99.200 -91.000 TYR 91 0.840 47.447 39.901 42.645 -99.200 -91.000 TYR 92 0.840 49.733 47.223 37.771 -99.200 -91.000 PHE 96 1.000 62.828 50.671 45.522 -99.200 -91.000 TYR 97 0.840 70.702 51.315 43.122 -99.200 -91.000 PHE 100 1.000 69.845 56.773 40.495 -99.200 -91.000 TYR 102 0.840 59.688 50.686 33.070 -99.200 -91.000 TRP 103 1.040 55.316 50.733 39.482 -99.200 -91.000 TRP6 103 1.020 53.374 50.426 40.795 -99.200 -91.000 PHE 122 1.000 29.746 37.315 15.975 -99.200 -91.000 TYR 145 0.840 35.771 39.255 26.617 -99.200 -91.000 PHE 146 1.000 34.709 34.411 33.774 -99.200 -91.000 TRP 154 1.040 41.180 48.266 15.206 -99.200 -91.000 TRP6 154 1.020 39.499 47.631 13.674 -99.200 -91.000 HIS 164 0.900 37.551 56.835 20.264 -99.200 -91.000 PHE 166 1.000 33.076 52.221 22.645 -99.200 -91.000 TYR 176 0.840 33.880 40.534 32.124 -99.200 -91.000 TYR 194 0.840 40.925 50.549 7.274 -99.200 -91.000 HIS 200 0.900 39.622 35.136 26.509 -99.200 -91.000