============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 24 0.900 115.755 58.893 41.033 -99.200 -91.000 TRP 35 1.040 114.542 45.301 38.109 -99.200 -91.000 TRP6 35 1.020 114.381 47.225 36.755 -99.200 -91.000 PHE 44 1.000 102.996 42.852 32.913 -99.200 -91.000 TYR 49 0.840 112.767 36.597 45.108 -99.200 -91.000 TYR 50 0.840 115.338 42.434 49.971 -99.200 -91.000 PHE 62 1.000 116.317 38.205 31.548 -99.200 -91.000 TYR 71 0.840 117.182 49.881 44.054 -99.200 -91.000 PHE 83 1.000 115.919 42.141 20.602 -99.200 -91.000 TYR 86 0.840 112.832 43.142 29.587 -99.200 -91.000 TYR 87 0.840 105.933 47.670 32.008 -99.200 -91.000 TYR 91 0.840 108.668 44.239 46.538 -99.200 -91.000 TYR 96 0.840 103.206 46.321 46.889 -99.200 -91.000 PHE 98 1.000 103.191 47.796 38.832 -99.200 -91.000 PHE 118 1.000 96.199 52.330 -1.825 -99.200 -91.000 PHE 135 1.000 97.534 50.899 3.367 -99.200 -91.000 PHE 139 1.000 107.721 53.872 9.147 -99.200 -91.000 TYR 140 0.840 115.295 50.850 12.674 -99.200 -91.000 TRP 148 1.040 96.269 62.690 5.423 -99.200 -91.000 TRP6 148 1.020 95.822 61.513 3.429 -99.200 -91.000 TRP 163 1.040 101.888 55.171 14.139 -99.200 -91.000 TRP6 163 1.020 100.105 56.152 15.346 -99.200 -91.000 TYR 173 0.840 109.316 49.977 14.265 -99.200 -91.000 TYR 186 0.840 87.167 62.560 -2.916 -99.200 -91.000 HIS 189 0.900 88.534 71.479 -1.819 -99.200 -91.000 TYR 192 0.840 91.107 65.164 -2.233 -99.200 -91.000 HIS 198 0.900 112.103 57.312 8.312 -99.200 -91.000 PHE 209 1.000 93.386 61.021 -4.805 -99.200 -91.000