============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 12 1.040 -19.951 45.197 -39.798 -99.200 -91.000 TRP6 12 1.020 -17.856 44.573 -40.663 -99.200 -91.000 TRP 14 1.040 -20.638 39.055 -42.451 -99.200 -91.000 TRP6 14 1.020 -20.533 40.665 -44.167 -99.200 -91.000 HIS 19 0.900 -30.973 37.586 -27.865 -99.200 -91.000 HIS 25 0.900 -24.899 38.477 -28.268 -99.200 -91.000 TRP 36 1.040 -26.316 24.100 -42.890 -99.200 -91.000 TRP6 36 1.020 -25.951 22.779 -40.970 -99.200 -91.000 HIS 42 0.900 -16.032 29.536 -26.771 -99.200 -91.000 TYR 44 0.840 -23.364 27.190 -29.803 -99.200 -91.000 PHE 49 1.000 -29.954 27.830 -20.864 -99.200 -91.000 TYR 51 0.840 -25.451 28.181 -21.777 -99.200 -91.000 TRP 57 1.040 -28.247 27.770 -27.994 -99.200 -91.000 TRP6 57 1.020 -26.954 29.625 -27.335 -99.200 -91.000 PHE 60 1.000 -33.811 37.476 -31.718 -99.200 -91.000 HIS 64 0.900 -27.206 49.140 -36.057 -99.200 -91.000 HIS 85 0.900 -13.455 19.607 -35.901 -99.200 -91.000 PHE 87 1.000 -10.553 15.372 -34.763 -99.200 -91.000 PHE 88 1.000 -14.788 23.021 -27.780 -99.200 -91.000 PHE 91 1.000 -6.992 21.363 -19.320 -99.200 -91.000 PHE 93 1.000 -12.397 27.575 -24.862 -99.200 -91.000 TYR 95 0.840 -8.616 20.104 -34.157 -99.200 -91.000 TYR 108 0.840 -29.398 34.870 -48.804 -99.200 -91.000 HIS 122 0.900 -8.568 33.540 -48.809 -99.200 -91.000 PHE 124 1.000 -8.105 35.137 -44.680 -99.200 -91.000 TRP 131 1.040 -12.699 45.500 -40.938 -99.200 -91.000 TRP6 131 1.020 -12.931 47.512 -39.847 -99.200 -91.000 TRP 135 1.040 -25.191 43.384 -30.928 -99.200 -91.000 TRP6 135 1.020 -25.464 41.946 -32.774 -99.200 -91.000 HIS 137 0.900 -19.158 41.396 -20.841 -99.200 -91.000 TYR 140 0.840 -11.728 40.957 -17.271 -99.200 -91.000 PHE 178 1.000 -4.158 47.056 -33.746 -99.200 -91.000 PHE 204 1.000 -12.724 35.863 -50.166 -99.200 -91.000 TRP 211 1.040 -8.283 30.899 -26.951 -99.200 -91.000 TRP6 211 1.020 -6.326 31.502 -25.771 -99.200 -91.000 TYR 224 0.840 -10.240 36.942 -33.478 -99.200 -91.000 PHE 230 1.000 -11.581 23.898 -38.184 -99.200 -91.000 TRP 233 1.040 -16.010 19.201 -39.648 -99.200 -91.000 TRP6 233 1.020 -17.017 20.929 -38.476 -99.200 -91.000