============================================================================= 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 27 0.840 9.465 32.322 15.889 -99.200 -91.000 PHE 29 1.000 15.433 29.888 17.874 -99.200 -91.000 TYR 32 0.840 7.311 29.293 12.295 -99.200 -91.000 PHE 45 1.000 16.915 43.325 1.924 -99.200 -91.000 TRP 47 1.040 19.562 32.848 1.840 -99.200 -91.000 TRP6 47 1.020 20.630 30.825 1.244 -99.200 -91.000 TRP 50 1.040 19.211 26.756 5.167 -99.200 -91.000 TRP6 50 1.020 17.894 25.239 6.421 -99.200 -91.000 PHE 54 1.000 14.065 18.764 15.151 -99.200 -91.000 TYR 60 0.840 28.098 28.448 7.157 -99.200 -91.000 PHE 64 1.000 27.936 35.794 2.568 -99.200 -91.000 PHE 68 1.000 30.738 35.825 6.224 -99.200 -91.000 PHE 70 1.000 25.303 31.727 8.598 -99.200 -91.000 TYR 80 0.840 24.381 33.834 20.120 -99.200 -91.000 TYR 93 0.840 26.487 41.436 7.710 -99.200 -91.000 PHE 94 1.000 18.205 43.854 7.679 -99.200 -91.000 PHE 95 1.000 20.740 37.042 13.163 -99.200 -91.000 TYR 101 0.840 6.252 38.098 11.302 -99.200 -91.000 TRP 102 1.040 12.658 40.366 6.537 -99.200 -91.000 TRP6 102 1.020 14.470 40.740 5.057 -99.200 -91.000 TYR 121 0.840 27.995 72.107 15.985 -99.200 -91.000 TYR 144 0.840 27.313 60.577 12.444 -99.200 -91.000 PHE 145 1.000 34.146 55.688 10.195 -99.200 -91.000 TRP 153 1.040 13.387 65.994 17.515 -99.200 -91.000 TRP6 153 1.020 14.660 67.966 17.827 -99.200 -91.000 HIS 163 0.900 9.523 65.447 7.814 -99.200 -91.000 PHE 165 1.000 15.208 66.048 6.168 -99.200 -91.000 TYR 174 0.840 29.000 57.716 7.248 -99.200 -91.000 TRP 187 1.040 10.829 76.233 21.410 -99.200 -91.000 TRP6 187 1.020 12.070 77.887 20.261 -99.200 -91.000 HIS 198 0.900 29.282 57.839 16.623 -99.200 -91.000