============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 35 1.040 28.175 11.917 6.560 -99.200 -91.000 TRP6 35 1.020 28.738 13.827 7.820 -99.200 -91.000 TYR 36 0.840 21.246 8.982 9.940 -99.200 -91.000 TYR 53 0.840 29.227 2.208 -1.191 -99.200 -91.000 TYR 55 0.840 18.068 4.660 1.854 -99.200 -91.000 PHE 62 1.000 22.072 16.037 -0.163 -99.200 -91.000 PHE 71 1.000 34.555 8.512 8.841 -99.200 -91.000 PHE 83 1.000 19.588 26.918 2.390 -99.200 -91.000 TYR 86 0.840 22.352 18.536 5.747 -99.200 -91.000 PHE 87 1.000 21.721 15.749 14.013 -99.200 -91.000 TYR 91 0.840 26.949 1.888 10.044 -99.200 -91.000 TYR 94 0.840 26.619 -2.837 19.420 -99.200 -91.000 PHE 96 1.000 25.109 0.853 16.195 -99.200 -91.000 PHE 98 1.000 22.634 8.847 16.044 -99.200 -91.000 PHE 116 1.000 7.798 46.738 16.774 -99.200 -91.000 PHE 118 1.000 4.685 44.370 22.574 -99.200 -91.000 PHE 139 1.000 17.011 39.267 14.951 -99.200 -91.000 TYR 140 0.840 21.117 36.525 7.779 -99.200 -91.000 TRP 148 1.040 15.370 42.678 29.334 -99.200 -91.000 TRP6 148 1.020 13.362 43.845 28.907 -99.200 -91.000 TYR 173 0.840 17.824 33.553 12.078 -99.200 -91.000 TYR 186 0.840 6.234 46.732 36.275 -99.200 -91.000 HIS 189 0.900 13.326 48.812 40.853 -99.200 -91.000 TYR 192 0.840 10.546 48.210 34.864 -99.200 -91.000 HIS 198 0.900 21.260 42.574 13.608 -99.200 -91.000 PHE 209 1.000 7.615 49.690 30.344 -99.200 -91.000