============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 2 0.900 -3.369 48.950 21.466 -99.200 -91.000 TRP 6 1.040 -0.150 52.101 17.459 -99.200 -91.000 TRP6 6 1.020 -0.457 54.448 17.550 -99.200 -91.000 TRP 8 1.040 2.005 45.493 11.836 -99.200 -91.000 TRP6 8 1.020 3.024 43.406 11.376 -99.200 -91.000 PHE 10 1.000 -7.516 39.536 15.275 -99.200 -91.000 PHE 11 1.000 -9.425 36.503 8.293 -99.200 -91.000 TYR 16 0.840 -2.698 38.093 7.967 -99.200 -91.000 PHE 17 1.000 4.129 46.682 7.214 -99.200 -91.000 TRP 25 1.040 9.386 36.169 -2.792 -99.200 -91.000 TRP6 25 1.020 10.633 34.310 -2.021 -99.200 -91.000 HIS 26 0.900 15.673 36.167 -3.133 -99.200 -91.000 PHE 50 1.000 -8.461 39.863 6.137 -99.200 -91.000 PHE 61 1.000 0.799 44.690 -10.651 -99.200 -91.000 TRP 63 1.040 7.599 40.657 -4.079 -99.200 -91.000 TRP6 63 1.020 7.572 39.391 -6.074 -99.200 -91.000 TRP 75 1.040 4.780 27.496 -8.181 -99.200 -91.000 TRP6 75 1.020 5.545 29.733 -8.151 -99.200 -91.000 TRP 77 1.040 2.562 27.813 1.064 -99.200 -91.000 TRP6 77 1.020 1.577 29.885 0.488 -99.200 -91.000 PHE 87 1.000 -4.207 26.730 0.463 -99.200 -91.000 TYR 90 0.840 -7.452 29.949 -3.467 -99.200 -91.000 TRP 91 1.040 -1.017 28.936 -9.262 -99.200 -91.000 TRP6 91 1.020 0.826 30.347 -8.826 -99.200 -91.000 PHE 107 1.000 -1.877 37.762 -1.775 -99.200 -91.000 TRP 112 1.040 -2.617 33.498 -4.999 -99.200 -91.000 TRP6 112 1.020 -2.015 31.403 -4.091 -99.200 -91.000 PHE 122 1.000 3.037 48.973 -2.995 -99.200 -91.000 TRP 123 1.040 6.864 43.607 2.811 -99.200 -91.000 TRP6 123 1.020 7.936 45.636 2.218 -99.200 -91.000