============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 7 1.040 25.716 10.937 4.941 -99.200 -91.000 TRP6 7 1.020 23.449 10.790 5.581 -99.200 -91.000 TYR 31 0.840 19.078 39.392 29.784 -99.200 -91.000 PHE 36 1.000 15.639 45.036 36.185 -99.200 -91.000 HIS 42 0.900 14.778 49.514 32.883 -99.200 -91.000 TRP 50 1.040 11.107 40.058 24.440 -99.200 -91.000 TRP6 50 1.020 9.559 38.307 24.140 -99.200 -91.000 TYR 55 0.840 15.682 40.626 14.176 -99.200 -91.000 TYR 64 0.840 13.769 21.127 10.904 -99.200 -91.000 TYR 71 0.840 22.154 17.917 2.543 -99.200 -91.000 HIS 78 0.900 13.643 9.286 14.326 -99.200 -91.000 HIS 80 0.900 3.980 12.173 10.488 -99.200 -91.000 TYR 85 0.840 8.227 19.488 15.693 -99.200 -91.000 HIS 101 0.900 13.869 44.233 9.350 -99.200 -91.000 HIS 105 0.900 23.390 45.881 1.011 -99.200 -91.000 TYR 112 0.840 13.369 48.941 6.808 -99.200 -91.000 PHE 125 1.000 7.178 34.615 20.593 -99.200 -91.000 PHE 129 1.000 -0.165 35.794 28.276 -99.200 -91.000 PHE 133 1.000 7.642 29.923 17.841 -99.200 -91.000 TRP 136 1.040 6.359 23.710 18.033 -99.200 -91.000 TRP6 136 1.020 7.637 24.764 16.357 -99.200 -91.000