============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 14 1.040 -4.032 -5.026 33.872 -99.200 -91.000 TRP6 14 1.020 -5.106 -6.770 35.057 -99.200 -91.000 PHE 26 1.000 2.214 8.387 21.774 -99.200 -91.000 PHE 35 1.000 -16.007 9.758 32.659 -99.200 -91.000 TYR 36 0.840 -10.026 10.461 36.322 -99.200 -91.000 HIS 42 0.900 8.510 8.578 29.166 -99.200 -91.000 TYR 45 0.840 6.845 17.051 27.895 -99.200 -91.000 PHE 50 1.000 -2.006 11.711 24.440 -99.200 -91.000 HIS 69 0.900 -13.461 5.309 25.566 -99.200 -91.000 HIS 77 0.900 4.286 15.076 40.550 -99.200 -91.000 PHE 80 1.000 8.720 14.098 32.749 -99.200 -91.000 TYR 85 0.840 12.752 10.348 30.828 -99.200 -91.000 PHE 87 1.000 8.697 14.416 41.928 -99.200 -91.000 PHE 100 1.000 -14.222 -0.497 33.581 -99.200 -91.000 TRP 114 1.040 -1.548 -5.443 51.830 -99.200 -91.000 TRP6 114 1.020 -1.994 -5.798 49.535 -99.200 -91.000 PHE 130 1.000 -1.063 -3.386 22.164 -99.200 -91.000 HIS 134 0.900 17.123 -6.185 19.212 -99.200 -91.000 TYR 150 0.840 8.580 -5.757 42.541 -99.200 -91.000 PHE 162 1.000 21.205 8.273 31.556 -99.200 -91.000 PHE 169 1.000 9.075 -0.545 40.495 -99.200 -91.000 TYR 173 0.840 14.586 -11.808 34.089 -99.200 -91.000 HIS 189 0.900 6.018 -3.622 37.976 -99.200 -91.000 PHE 193 1.000 -1.755 -10.800 48.833 -99.200 -91.000 TYR 197 0.840 -2.942 -10.398 37.732 -99.200 -91.000 PHE 198 1.000 -4.133 -5.637 44.739 -99.200 -91.000 TRP 205 1.040 14.162 6.089 33.607 -99.200 -91.000 TRP6 205 1.020 16.508 5.758 33.860 -99.200 -91.000 TYR 215 0.840 19.368 -4.961 36.748 -99.200 -91.000 TYR 218 0.840 9.267 -1.403 35.156 -99.200 -91.000 PHE 224 1.000 5.000 9.731 42.146 -99.200 -91.000 TRP 227 1.040 0.160 13.982 41.527 -99.200 -91.000 TRP6 227 1.020 -0.274 13.053 39.407 -99.200 -91.000