============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 24 1.040 9.295 32.689 -8.081 -99.200 -91.000 TRP6 24 1.020 10.220 30.705 -7.197 -99.200 -91.000 PHE 31 1.000 -1.886 34.663 -5.205 -99.200 -91.000 TYR 33 0.840 -1.741 25.702 -11.614 -99.200 -91.000 PHE 34 1.000 -1.536 28.769 -3.253 -99.200 -91.000 TRP 57 1.040 -0.598 32.409 9.975 -99.200 -91.000 TRP6 57 1.020 -2.763 32.284 9.016 -99.200 -91.000 PHE 58 1.000 3.037 34.030 12.409 -99.200 -91.000 HIS 87 0.900 -10.602 29.707 8.825 -99.200 -91.000 PHE 88 1.000 -10.970 24.048 12.412 -99.200 -91.000 TRP 113 1.040 -5.911 21.701 -2.765 -99.200 -91.000 TRP6 113 1.020 -4.673 21.292 -4.747 -99.200 -91.000 TYR 121 0.840 5.615 21.940 -0.143 -99.200 -91.000 HIS 127 0.900 -0.884 10.506 5.000 -99.200 -91.000 HIS 130 0.900 -4.412 9.867 -5.771 -99.200 -91.000 PHE 134 1.000 -2.451 19.203 -8.838 -99.200 -91.000 PHE 142 1.000 14.570 33.517 -10.204 -99.200 -91.000 PHE 147 1.000 17.970 25.270 -1.389 -99.200 -91.000 PHE 148 1.000 8.810 19.841 -3.526 -99.200 -91.000 TYR 156 0.840 5.130 11.162 -5.112 -99.200 -91.000 TYR 162 0.840 -5.063 15.823 -12.865 -99.200 -91.000 TYR 177 0.840 4.734 30.300 -15.126 -99.200 -91.000 PHE 179 1.000 0.859 26.405 -14.527 -99.200 -91.000 TYR 182 0.840 6.526 15.160 -10.931 -99.200 -91.000