============================================================================= 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 7 1.040 23.795 2.611 59.698 -99.200 -91.000 TRP6 7 1.020 23.993 4.735 58.723 -99.200 -91.000 PHE 11 1.000 24.859 -1.707 52.785 -99.200 -91.000 PHE 20 1.000 21.074 5.231 53.651 -99.200 -91.000 TYR 42 0.840 29.934 3.222 42.026 -99.200 -91.000 PHE 48 1.000 22.051 14.230 33.728 -99.200 -91.000 HIS 65 0.900 0.125 22.700 35.549 -99.200 -91.000 PHE 68 1.000 7.687 16.234 28.776 -99.200 -91.000 TRP 70 1.040 3.884 6.249 22.701 -99.200 -91.000 TRP6 70 1.020 2.276 4.532 22.456 -99.200 -91.000 TRP 80 1.040 9.358 4.082 30.280 -99.200 -91.000 TRP6 80 1.020 11.472 3.487 29.413 -99.200 -91.000 PHE 98 1.000 13.269 13.571 32.096 -99.200 -91.000 TYR 113 0.840 21.697 25.669 32.799 -99.200 -91.000 PHE 117 1.000 22.116 22.420 37.938 -99.200 -91.000 TYR 119 0.840 24.705 15.243 38.472 -99.200 -91.000 PHE 131 1.000 24.811 13.580 29.470 -99.200 -91.000 TRP 132 1.040 20.825 9.886 31.488 -99.200 -91.000 TRP6 132 1.020 20.467 11.192 29.549 -99.200 -91.000 PHE 147 1.000 21.514 18.115 41.703 -99.200 -91.000 TYR 152 0.840 14.891 20.984 52.467 -99.200 -91.000 TYR 178 0.840 8.128 9.811 56.816 -99.200 -91.000 HIS 181 0.900 10.132 16.413 48.134 -99.200 -91.000 PHE 186 1.000 18.839 -2.299 36.664 -99.200 -91.000 TRP 199 1.040 23.050 5.718 41.234 -99.200 -91.000 TRP6 199 1.020 24.414 6.964 42.688 -99.200 -91.000 TRP 200 1.040 14.963 5.482 46.788 -99.200 -91.000 TRP6 200 1.020 14.279 5.236 49.029 -99.200 -91.000 TRP 203 1.040 14.117 16.505 50.369 -99.200 -91.000 TRP6 203 1.020 14.582 16.992 48.130 -99.200 -91.000 TYR 211 0.840 16.368 12.770 59.691 -99.200 -91.000 PHE 212 1.000 19.163 17.510 52.932 -99.200 -91.000 PHE 213 1.000 16.841 8.875 50.626 -99.200 -91.000 PHE 215 1.000 21.673 1.221 48.724 -99.200 -91.000