============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 29 1.000 -11.905 -15.613 79.508 -99.200 -91.000 TYR 32 0.840 -12.423 -14.567 73.436 -99.200 -91.000 TRP 36 1.040 -22.029 -10.588 80.574 -99.200 -91.000 TRP6 36 1.020 -22.822 -12.786 80.259 -99.200 -91.000 TRP 47 1.040 -22.744 -2.341 77.070 -99.200 -91.000 TRP6 47 1.020 -21.918 -0.829 78.683 -99.200 -91.000 PHE 55 1.000 -7.014 -0.659 83.355 -99.200 -91.000 HIS 59 0.900 -17.216 -0.217 81.369 -99.200 -91.000 TYR 60 0.840 -20.900 -3.807 86.790 -99.200 -91.000 PHE 64 1.000 -29.551 -2.758 83.273 -99.200 -91.000 TYR 80 0.840 -19.117 -18.329 85.619 -99.200 -91.000 PHE 93 1.000 -30.545 -10.906 80.873 -99.200 -91.000 TYR 94 0.840 -28.889 -12.066 72.228 -99.200 -91.000 TYR 99 0.840 -11.047 -12.782 65.568 -99.200 -91.000 TRP 111 1.040 -14.227 1.076 72.846 -99.200 -91.000 TRP6 111 1.020 -13.143 -0.355 74.372 -99.200 -91.000 TYR 112 0.840 -15.374 -3.244 65.720 -99.200 -91.000 PHE 113 1.000 -20.695 -5.006 72.121 -99.200 -91.000 TRP 116 1.040 -23.140 -10.239 68.721 -99.200 -91.000 TRP6 116 1.020 -24.735 -8.963 69.894 -99.200 -91.000 PHE 135 1.000 -59.009 -25.749 78.451 -99.200 -91.000 TYR 158 0.840 -48.345 -23.100 77.027 -99.200 -91.000 PHE 159 1.000 -43.427 -20.793 83.728 -99.200 -91.000 TRP 167 1.040 -52.419 -28.888 63.885 -99.200 -91.000 TRP6 167 1.020 -54.764 -28.702 64.069 -99.200 -91.000 HIS 177 0.900 -52.372 -18.510 59.679 -99.200 -91.000 PHE 179 1.000 -52.535 -16.849 65.658 -99.200 -91.000 TYR 189 0.840 -45.253 -18.668 78.752 -99.200 -91.000 TYR 207 0.840 -56.045 -32.305 58.197 -99.200 -91.000 HIS 213 0.900 -44.359 -28.467 78.825 -99.200 -91.000