============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 7 1.000 12.368 27.264 13.189 -99.200 -91.000 HIS 11 0.900 9.976 41.870 14.743 -99.200 -91.000 TRP 12 1.040 7.257 34.568 13.176 -99.200 -91.000 TRP6 12 1.020 5.546 34.458 11.542 -99.200 -91.000 TYR 33 0.840 4.956 27.881 25.161 -99.200 -91.000 TYR 37 0.840 -1.714 22.747 23.727 -99.200 -91.000 PHE 38 1.000 6.314 26.893 19.401 -99.200 -91.000 TYR 39 0.840 6.490 18.498 19.937 -99.200 -91.000 PHE 48 1.000 4.009 25.643 14.609 -99.200 -91.000 TRP 49 1.040 -1.017 17.202 19.111 -99.200 -91.000 TRP6 49 1.020 -2.220 17.563 21.107 -99.200 -91.000 TYR 62 0.840 -12.929 24.341 11.079 -99.200 -91.000 TRP 80 1.040 2.516 42.551 6.304 -99.200 -91.000 TRP6 80 1.020 1.617 41.644 4.307 -99.200 -91.000 TRP 82 1.040 -2.672 48.866 -1.439 -99.200 -91.000 TRP6 82 1.020 -2.149 49.181 -3.755 -99.200 -91.000 HIS 86 0.900 4.396 44.185 2.212 -99.200 -91.000 HIS 109 0.900 -7.092 36.605 9.323 -99.200 -91.000 PHE 126 1.000 -0.422 18.217 3.725 -99.200 -91.000 HIS 147 0.900 -10.755 26.652 -4.135 -99.200 -91.000 TYR 149 0.840 -7.520 22.914 -6.357 -99.200 -91.000 PHE 150 1.000 0.877 25.300 -5.709 -99.200 -91.000 TYR 159 0.840 4.539 21.694 3.526 -99.200 -91.000 TYR 171 0.840 3.230 37.921 -7.798 -99.200 -91.000 PHE 183 1.000 -4.058 41.184 -2.447 -99.200 -91.000 TRP 190 1.040 -9.072 41.957 -1.331 -99.200 -91.000 TRP6 190 1.020 -9.088 40.637 0.626 -99.200 -91.000 TYR 195 0.840 -3.781 42.764 3.215 -99.200 -91.000 TYR 196 0.840 -2.752 38.861 11.180 -99.200 -91.000 PHE 197 1.000 3.668 37.183 4.953 -99.200 -91.000 TYR 202 0.840 -7.631 28.038 11.297 -99.200 -91.000 TYR 218 0.840 11.997 19.926 8.990 -99.200 -91.000 HIS 224 0.900 6.787 42.674 5.830 -99.200 -91.000