============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 2.175 -11.428 -6.118 -99.200 -91.000 PHE 29 1.000 -3.850 -14.007 -5.749 -99.200 -91.000 TYR 32 0.840 1.556 -7.863 -2.181 -99.200 -91.000 TYR 33 0.840 -6.482 -3.734 -0.659 -99.200 -91.000 TRP 36 1.040 -9.036 -8.006 -13.397 -99.200 -91.000 TRP6 36 1.020 -7.866 -9.066 -15.164 -99.200 -91.000 TRP 47 1.040 -9.001 0.589 -10.282 -99.200 -91.000 TRP6 47 1.020 -11.131 0.744 -9.253 -99.200 -91.000 PHE 50 1.000 -9.829 -1.737 -4.253 -99.200 -91.000 TYR 58 0.840 -9.074 -13.320 0.518 -99.200 -91.000 TYR 62 0.840 -16.968 -4.939 -8.988 -99.200 -91.000 PHE 70 1.000 -16.714 -5.459 -17.401 -99.200 -91.000 PHE 80 1.000 -4.615 -18.986 -12.681 -99.200 -91.000 TYR 82 0.840 -10.137 -16.973 -12.290 -99.200 -91.000 TYR 96 0.840 -10.759 -5.359 -20.552 -99.200 -91.000 TYR 97 0.840 -2.107 -3.106 -19.792 -99.200 -91.000 TYR 109 0.840 -0.295 1.597 2.585 -99.200 -91.000 TYR 114 0.840 6.645 -6.052 -9.380 -99.200 -91.000 TRP 115 1.040 0.965 -1.598 -13.854 -99.200 -91.000 TRP6 115 1.020 -1.043 -0.678 -14.695 -99.200 -91.000 TYR 134 0.840 -0.363 -11.984 -49.536 -99.200 -91.000 TYR 156 0.840 -4.573 -8.558 -38.566 -99.200 -91.000 PHE 157 1.000 -12.739 -7.832 -36.429 -99.200 -91.000 TRP 165 1.040 10.929 -9.059 -39.252 -99.200 -91.000 TRP6 165 1.020 10.762 -9.638 -41.546 -99.200 -91.000 HIS 175 0.900 11.628 1.196 -38.325 -99.200 -91.000 PHE 177 1.000 6.002 0.724 -40.909 -99.200 -91.000 TYR 186 0.840 -8.070 -4.379 -36.946 -99.200 -91.000 TRP 199 1.040 17.457 -11.797 -47.971 -99.200 -91.000 TRP6 199 1.020 16.947 -10.605 -49.941 -99.200 -91.000 HIS 210 0.900 -5.897 -13.463 -36.326 -99.200 -91.000