============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 27 0.840 118.989 1.711 59.864 -99.200 -91.000 PHE 29 1.000 117.396 8.374 60.384 -99.200 -91.000 TRP 33 1.040 128.691 8.451 58.461 -99.200 -91.000 TRP6 33 1.020 129.033 10.778 58.235 -99.200 -91.000 TRP 36 1.040 120.007 11.699 50.642 -99.200 -91.000 TRP6 36 1.020 117.775 11.132 50.106 -99.200 -91.000 TRP 47 1.040 128.130 10.587 47.522 -99.200 -91.000 TRP6 47 1.020 129.747 12.259 47.989 -99.200 -91.000 TYR 52 0.840 126.814 9.258 62.434 -99.200 -91.000 HIS 59 0.900 132.093 14.532 55.210 -99.200 -91.000 TYR 60 0.840 125.456 18.786 51.272 -99.200 -91.000 PHE 64 1.000 124.225 16.308 42.907 -99.200 -91.000 TYR 80 0.840 112.312 15.074 55.870 -99.200 -91.000 TRP 83 1.040 117.085 19.591 44.170 -99.200 -91.000 TRP6 83 1.020 116.129 17.560 44.928 -99.200 -91.000 TYR 93 0.840 117.565 13.032 42.709 -99.200 -91.000 PHE 94 1.000 117.981 4.377 43.286 -99.200 -91.000 TYR 99 0.840 126.354 -3.414 58.489 -99.200 -91.000 PHE 101 1.000 129.743 -4.771 55.601 -99.200 -91.000 PHE 109 1.000 126.992 4.227 50.405 -99.200 -91.000 TRP 112 1.040 121.756 0.467 47.888 -99.200 -91.000 TRP6 112 1.020 122.507 2.318 46.615 -99.200 -91.000 PHE 131 1.000 99.267 13.811 13.504 -99.200 -91.000 TYR 154 0.840 102.093 9.879 25.179 -99.200 -91.000 PHE 155 1.000 104.495 15.432 31.133 -99.200 -91.000 TRP 163 1.040 96.538 -1.772 16.249 -99.200 -91.000 TRP6 163 1.020 96.550 -0.246 14.436 -99.200 -91.000 HIS 173 0.900 107.005 -4.221 18.789 -99.200 -91.000 PHE 175 1.000 108.269 -0.671 17.466 -99.200 -91.000 TYR 185 0.840 106.695 10.823 28.301 -99.200 -91.000 TYR 203 0.840 93.740 -3.839 8.596 -99.200 -91.000 HIS 209 0.900 97.418 11.169 28.039 -99.200 -91.000