============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 12 0.900 44.649 2.789 -1.922 -99.200 -91.000 PHE 14 1.000 40.576 6.572 2.860 -99.200 -91.000 PHE 18 1.000 49.674 1.086 11.657 -99.200 -91.000 PHE 19 1.000 56.924 -0.867 6.840 -99.200 -91.000 PHE 24 1.000 52.591 -3.494 3.377 -99.200 -91.000 PHE 25 1.000 52.197 -4.875 12.107 -99.200 -91.000 TRP 35 1.040 47.307 13.643 15.868 -99.200 -91.000 TRP6 35 1.020 47.706 12.680 17.990 -99.200 -91.000 HIS 41 0.900 43.524 -6.615 16.513 -99.200 -91.000 PHE 47 1.000 53.841 0.351 15.210 -99.200 -91.000 HIS 54 0.900 46.736 0.398 -6.008 -99.200 -91.000 PHE 72 1.000 48.425 9.926 22.712 -99.200 -91.000 HIS 100 0.900 49.530 7.933 -6.103 -99.200 -91.000 TRP 122 1.040 48.154 -3.485 0.571 -99.200 -91.000 TRP6 122 1.020 47.829 -1.454 1.739 -99.200 -91.000 PHE 132 1.000 48.703 -12.747 4.106 -99.200 -91.000 TYR 137 0.840 42.386 -8.195 -4.658 -99.200 -91.000 HIS 146 0.900 25.907 -5.275 18.722 -99.200 -91.000 TYR 153 0.840 31.639 -13.264 15.594 -99.200 -91.000 TYR 160 0.840 33.794 -6.539 24.751 -99.200 -91.000 PHE 189 1.000 38.190 6.023 10.591 -99.200 -91.000 TYR 195 0.840 36.982 -11.735 17.549 -99.200 -91.000 HIS 198 0.900 40.712 -16.613 9.659 -99.200 -91.000 TYR 209 0.840 34.150 -4.230 10.082 -99.200 -91.000 PHE 213 1.000 28.988 10.015 16.443 -99.200 -91.000 TYR 215 0.840 36.094 3.960 21.503 -99.200 -91.000 TRP 218 1.040 40.590 8.502 24.557 -99.200 -91.000 TRP6 218 1.020 41.600 7.111 22.928 -99.200 -91.000