============================================================================= 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. TYR 27 0.840 41.997 25.080 30.580 -99.200 -91.000 PHE 33 1.000 46.710 26.267 31.340 -99.200 -91.000 TRP 35 1.040 46.184 32.411 32.758 -99.200 -91.000 TRP6 35 1.020 45.990 30.972 30.898 -99.200 -91.000 TRP 37 1.040 52.204 39.205 30.068 -99.200 -91.000 TRP6 37 1.020 51.665 39.431 27.787 -99.200 -91.000 PHE 41 1.000 65.870 41.167 26.405 -99.200 -91.000 TRP 48 1.040 58.477 34.195 34.707 -99.200 -91.000 TRP6 48 1.020 58.694 35.110 36.889 -99.200 -91.000 TYR 51 0.840 53.043 33.510 38.872 -99.200 -91.000 TYR 54 0.840 44.206 28.465 39.958 -99.200 -91.000 PHE 57 1.000 50.216 34.663 44.710 -99.200 -91.000 HIS 60 0.900 56.771 42.526 39.845 -99.200 -91.000 PHE 79 1.000 47.912 36.175 29.999 -99.200 -91.000 PHE 80 1.000 44.113 43.018 29.468 -99.200 -91.000 TYR 94 0.840 58.262 42.722 25.384 -99.200 -91.000 TYR 95 0.840 57.780 34.530 22.029 -99.200 -91.000 TRP 101 1.040 49.407 27.179 41.227 -99.200 -91.000 TRP6 101 1.020 50.522 29.274 41.163 -99.200 -91.000 TYR 102 0.840 49.601 18.677 40.680 -99.200 -91.000 TRP 108 1.040 55.865 29.212 25.395 -99.200 -91.000 TRP6 108 1.020 57.730 30.642 25.721 -99.200 -91.000 TYR 127 0.840 62.159 49.748 -5.039 -99.200 -91.000 TYR 150 0.840 60.510 46.807 6.502 -99.200 -91.000 PHE 151 1.000 61.758 52.040 13.080 -99.200 -91.000 TRP 159 1.040 57.478 34.902 -3.016 -99.200 -91.000 TRP6 159 1.020 58.124 36.392 -4.726 -99.200 -91.000 HIS 169 0.900 65.659 29.491 0.214 -99.200 -91.000 PHE 171 1.000 67.526 35.208 1.634 -99.200 -91.000 TYR 180 0.840 64.094 47.128 10.812 -99.200 -91.000 TRP 193 1.040 57.875 34.155 -14.540 -99.200 -91.000 TRP6 193 1.020 59.695 35.448 -15.286 -99.200 -91.000 HIS 204 0.900 55.439 48.887 7.694 -99.200 -91.000