============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 14 0.900 30.081 51.789 26.146 -99.200 -91.000 PHE 23 1.000 23.569 39.465 25.311 -99.200 -91.000 TYR 48 0.840 33.974 37.600 17.829 -99.200 -91.000 TRP 49 1.040 42.669 40.941 23.103 -99.200 -91.000 TRP6 49 1.020 42.551 41.872 25.252 -99.200 -91.000 HIS 50 0.900 38.038 43.629 26.175 -99.200 -91.000 PHE 51 1.000 33.503 39.976 27.307 -99.200 -91.000 PHE 58 1.000 23.235 36.470 30.617 -99.200 -91.000 TRP 62 1.040 23.730 34.996 36.649 -99.200 -91.000 TRP6 62 1.020 22.699 33.329 35.322 -99.200 -91.000 TYR 76 0.840 22.916 45.372 54.121 -99.200 -91.000 PHE 80 1.000 21.707 45.647 60.597 -99.200 -91.000 HIS 94 0.900 21.158 46.171 47.640 -99.200 -91.000 PHE 113 1.000 14.196 35.439 36.964 -99.200 -91.000 HIS 114 0.900 10.810 37.407 32.268 -99.200 -91.000 PHE 118 1.000 19.386 29.887 31.147 -99.200 -91.000 TYR 137 0.840 18.648 25.778 47.003 -99.200 -91.000 HIS 146 0.900 26.267 30.558 61.501 -99.200 -91.000 PHE 169 1.000 8.376 35.366 50.028 -99.200 -91.000 TRP 177 1.040 7.961 44.819 39.363 -99.200 -91.000 TRP6 177 1.020 9.799 45.790 38.294 -99.200 -91.000 PHE 179 1.000 5.455 37.219 31.505 -99.200 -91.000 PHE 184 1.000 4.721 42.336 42.066 -99.200 -91.000 TYR 193 0.840 5.769 41.764 48.065 -99.200 -91.000 TYR 201 0.840 12.535 31.461 56.588 -99.200 -91.000