============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 3 1.000 75.925 5.943 40.201 -99.200 -91.000 HIS 19 0.900 62.028 18.470 63.219 -99.200 -91.000 TRP 28 1.040 73.359 14.585 54.498 -99.200 -91.000 TRP6 28 1.020 71.467 14.165 55.836 -99.200 -91.000 PHE 29 1.000 68.898 15.443 47.244 -99.200 -91.000 HIS 34 0.900 82.933 9.909 45.865 -99.200 -91.000 PHE 37 1.000 80.194 15.488 41.742 -99.200 -91.000 PHE 40 1.000 80.940 13.544 33.501 -99.200 -91.000 PHE 46 1.000 88.386 19.128 44.404 -99.200 -91.000 TRP 49 1.040 85.113 19.148 39.857 -99.200 -91.000 TRP6 49 1.020 85.148 17.241 41.260 -99.200 -91.000 TYR 58 0.840 64.240 21.072 51.764 -99.200 -91.000 TYR 62 0.840 62.760 13.795 63.164 -99.200 -91.000 TYR 63 0.840 72.778 12.804 66.193 -99.200 -91.000 TYR 70 0.840 67.535 4.751 47.629 -99.200 -91.000 TYR 84 0.840 63.788 11.822 41.104 -99.200 -91.000 HIS 88 0.900 63.797 6.571 49.794 -99.200 -91.000 TYR 101 0.840 76.387 18.722 39.350 -99.200 -91.000 PHE 104 1.000 83.753 25.452 31.258 -99.200 -91.000 PHE 106 1.000 86.673 24.154 35.168 -99.200 -91.000 HIS 125 0.900 75.181 3.403 37.266 -99.200 -91.000 TRP 127 1.040 64.951 6.517 39.937 -99.200 -91.000 TRP6 127 1.020 65.619 7.495 41.992 -99.200 -91.000