============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 10 1.040 -2.254 2.603 29.496 -99.200 -91.000 TRP6 10 1.020 0.095 2.396 29.230 -99.200 -91.000 PHE 14 1.000 -1.230 10.545 28.764 -99.200 -91.000 PHE 23 1.000 2.820 5.257 33.043 -99.200 -91.000 TYR 45 0.840 10.082 16.213 26.500 -99.200 -91.000 PHE 51 1.000 21.749 15.254 37.278 -99.200 -91.000 HIS 69 0.900 22.015 6.027 59.132 -99.200 -91.000 PHE 72 1.000 22.756 16.038 52.366 -99.200 -91.000 TRP 74 1.040 18.095 26.846 55.945 -99.200 -91.000 TRP6 74 1.020 16.696 28.081 57.402 -99.200 -91.000 TRP 84 1.040 13.098 23.045 48.847 -99.200 -91.000 TRP6 84 1.020 13.679 24.287 46.910 -99.200 -91.000 PHE 102 1.000 19.913 15.926 45.945 -99.200 -91.000 TYR 117 0.840 30.886 8.696 39.201 -99.200 -91.000 PHE 121 1.000 25.588 6.803 37.220 -99.200 -91.000 TYR 123 0.840 20.217 11.118 33.886 -99.200 -91.000 PHE 135 1.000 24.561 19.069 35.290 -99.200 -91.000 TRP 136 1.040 19.638 19.369 38.171 -99.200 -91.000 TRP6 136 1.020 21.740 20.058 39.044 -99.200 -91.000 PHE 151 1.000 19.844 6.536 36.305 -99.200 -91.000 TYR 156 0.840 14.649 -4.460 40.719 -99.200 -91.000 TYR 182 0.840 1.066 -1.104 45.972 -99.200 -91.000 HIS 185 0.900 12.012 1.440 45.728 -99.200 -91.000 PHE 190 1.000 6.710 23.071 37.412 -99.200 -91.000 TRP 203 1.040 10.955 14.720 33.446 -99.200 -91.000 TRP6 203 1.020 11.292 12.895 31.971 -99.200 -91.000 TRP 204 1.040 5.717 9.980 40.286 -99.200 -91.000 TRP6 204 1.020 4.015 8.336 40.419 -99.200 -91.000 TRP 207 1.040 12.049 0.210 41.383 -99.200 -91.000 TRP6 207 1.020 13.587 1.965 41.748 -99.200 -91.000 TYR 215 0.840 4.151 -4.483 36.544 -99.200 -91.000 PHE 216 1.000 12.510 -1.832 36.099 -99.200 -91.000 PHE 217 1.000 6.425 5.025 37.940 -99.200 -91.000 PHE 219 1.000 2.525 11.754 33.008 -99.200 -91.000