============================================================================= 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. PHE 8 1.000 14.428 -29.945 32.660 -99.200 -91.000 TRP 15 1.040 3.754 -23.378 20.888 -99.200 -91.000 TRP6 15 1.020 3.807 -21.644 19.259 -99.200 -91.000 HIS 16 0.900 2.785 -27.918 24.887 -99.200 -91.000 TYR 24 0.840 -9.610 -35.675 20.164 -99.200 -91.000 PHE 51 1.000 14.244 -44.924 28.524 -99.200 -91.000 HIS 53 0.900 23.909 -47.584 30.975 -99.200 -91.000 PHE 56 1.000 17.840 -48.506 22.260 -99.200 -91.000 HIS 59 0.900 17.567 -55.252 10.892 -99.200 -91.000 HIS 61 0.900 17.496 -48.256 13.019 -99.200 -91.000 PHE 67 1.000 4.327 -57.763 11.543 -99.200 -91.000 TYR 88 0.840 17.701 -21.823 27.741 -99.200 -91.000 TRP 100 1.040 1.496 -45.119 18.182 -99.200 -91.000 TRP6 100 1.020 2.628 -43.818 19.823 -99.200 -91.000 HIS 110 0.900 -5.632 -51.986 19.288 -99.200 -91.000 TYR 115 0.840 -10.499 -47.406 6.214 -99.200 -91.000 PHE 123 1.000 4.376 -50.296 8.282 -99.200 -91.000 TYR 135 0.840 21.323 -34.054 13.370 -99.200 -91.000 TYR 136 0.840 13.880 -38.009 14.901 -99.200 -91.000 PHE 138 1.000 12.093 -43.505 14.484 -99.200 -91.000 TYR 146 0.840 -6.335 -43.345 11.674 -99.200 -91.000 TRP 148 1.040 -11.160 -39.048 13.068 -99.200 -91.000 TRP6 148 1.020 -11.189 -37.979 15.185 -99.200 -91.000 TRP 155 1.040 -12.406 -39.145 5.539 -99.200 -91.000 TRP6 155 1.020 -11.590 -41.224 4.759 -99.200 -91.000 HIS 159 0.900 -2.343 -39.855 12.289 -99.200 -91.000 HIS 161 0.900 -0.639 -41.484 16.604 -99.200 -91.000 PHE 162 1.000 8.193 -38.957 15.411 -99.200 -91.000 TYR 178 0.840 -0.787 -33.867 12.316 -99.200 -91.000 PHE 179 1.000 4.022 -37.881 6.487 -99.200 -91.000 TYR 220 0.840 7.626 -36.191 3.730 -99.200 -91.000 PHE 222 1.000 7.943 -33.947 14.049 -99.200 -91.000 HIS 233 0.900 19.478 -18.392 37.810 -99.200 -91.000 PHE 234 1.000 22.491 -15.337 41.746 -99.200 -91.000