============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 14 1.000 -6.110 9.534 -10.029 -99.200 -91.000 TYR 32 0.840 6.740 12.218 25.463 -99.200 -91.000 HIS 34 0.900 6.047 8.737 19.788 -99.200 -91.000 TRP 35 1.040 1.828 10.261 13.009 -99.200 -91.000 TRP6 35 1.020 -0.359 10.017 12.217 -99.200 -91.000 TYR 36 0.840 5.269 3.165 15.855 -99.200 -91.000 TRP 47 1.040 6.646 7.165 7.540 -99.200 -91.000 TRP6 47 1.020 8.150 5.651 6.568 -99.200 -91.000 TYR 49 0.840 11.658 10.981 16.832 -99.200 -91.000 PHE 62 1.000 5.616 9.642 4.097 -99.200 -91.000 TYR 71 0.840 -1.551 15.451 18.582 -99.200 -91.000 TYR 86 0.840 1.449 5.745 5.972 -99.200 -91.000 TYR 87 0.840 -1.745 0.140 12.061 -99.200 -91.000 HIS 89 0.900 1.973 3.460 20.884 -99.200 -91.000 PHE 91 1.000 5.411 5.129 25.040 -99.200 -91.000 HIS 92 0.900 -0.435 13.019 27.449 -99.200 -91.000 HIS 93 0.900 -2.161 8.250 32.310 -99.200 -91.000 TYR 96 0.840 2.257 4.434 27.889 -99.200 -91.000 PHE 98 1.000 0.376 0.733 18.788 -99.200 -91.000 PHE 118 1.000 -10.227 -22.413 -13.732 -99.200 -91.000 PHE 135 1.000 -9.188 -18.364 -9.239 -99.200 -91.000 PHE 139 1.000 -12.076 -6.641 -8.716 -99.200 -91.000 TYR 140 0.840 -9.056 1.766 -8.596 -99.200 -91.000 TRP 148 1.040 -21.102 -18.368 -6.578 -99.200 -91.000 TRP6 148 1.020 -19.900 -18.990 -8.507 -99.200 -91.000 TRP 163 1.040 -12.582 -8.663 -2.508 -99.200 -91.000 TRP6 163 1.020 -14.310 -9.801 -1.383 -99.200 -91.000 TYR 173 0.840 -7.922 -2.970 -4.826 -99.200 -91.000 TYR 186 0.840 -21.082 -30.248 -9.914 -99.200 -91.000 HIS 189 0.900 -29.525 -28.492 -8.437 -99.200 -91.000 TYR 192 0.840 -23.419 -26.034 -11.138 -99.200 -91.000 HIS 198 0.900 -15.719 -3.261 -11.671 -99.200 -91.000 PHE 209 1.000 -19.356 -25.344 -15.215 -99.200 -91.000