============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 8 0.900 14.877 57.029 -43.562 -99.200 -91.000 PHE 9 1.000 16.921 63.677 -39.819 -99.200 -91.000 TRP 21 1.040 19.989 44.229 -34.951 -99.200 -91.000 TRP6 21 1.020 18.671 46.072 -34.298 -99.200 -91.000 PHE 23 1.000 28.286 40.071 -30.925 -99.200 -91.000 HIS 33 0.900 23.745 54.738 -33.184 -99.200 -91.000 HIS 36 0.900 30.918 49.673 -37.700 -99.200 -91.000 HIS 41 0.900 24.321 58.623 -38.473 -99.200 -91.000 TYR 49 0.840 21.232 61.787 -39.665 -99.200 -91.000 TYR 57 0.840 27.122 61.430 -17.799 -99.200 -91.000 TYR 66 0.840 8.346 60.655 -19.334 -99.200 -91.000 PHE 67 1.000 15.634 58.795 -24.230 -99.200 -91.000 TYR 69 0.840 21.620 61.366 -25.120 -99.200 -91.000 HIS 93 0.900 7.582 72.530 -34.538 -99.200 -91.000 TRP 106 1.040 4.843 66.194 -28.325 -99.200 -91.000 TRP6 106 1.020 5.430 63.927 -28.544 -99.200 -91.000 HIS 123 0.900 20.372 56.003 -16.150 -99.200 -91.000 TYR 126 0.840 11.259 51.765 -18.528 -99.200 -91.000 TYR 134 0.840 13.689 51.049 -33.966 -99.200 -91.000 TYR 138 0.840 11.842 56.934 -27.301 -99.200 -91.000 TYR 143 0.840 17.581 72.801 -27.545 -99.200 -91.000 TRP 144 1.040 17.940 71.302 -18.808 -99.200 -91.000 TRP6 144 1.020 16.806 69.350 -19.464 -99.200 -91.000 PHE 152 1.000 34.644 73.204 -15.702 -99.200 -91.000 TRP 155 1.040 24.641 72.545 -24.370 -99.200 -91.000 TRP6 155 1.020 22.702 73.882 -24.465 -99.200 -91.000 TYR 157 0.840 20.517 67.419 -25.998 -99.200 -91.000 TRP 169 1.040 8.721 49.231 -21.634 -99.200 -91.000 TRP6 169 1.020 9.957 50.584 -23.114 -99.200 -91.000