============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TRP 7 1.040 83.647 -86.726 7.181 -99.200 -91.000 TRP6 7 1.020 85.181 -85.976 5.555 -99.200 -91.000 TYR 18 0.840 79.099 -83.744 31.177 -99.200 -91.000 TRP 26 1.040 72.213 -74.041 21.137 -99.200 -91.000 TRP6 26 1.020 73.170 -72.008 20.419 -99.200 -91.000 PHE 28 1.000 79.221 -78.443 23.681 -99.200 -91.000 TYR 61 0.840 73.074 -63.547 15.263 -99.200 -91.000 PHE 70 1.000 66.010 -73.056 15.220 -99.200 -91.000 PHE 75 1.000 76.683 -74.004 11.135 -99.200 -91.000 TYR 77 0.840 78.604 -64.900 17.138 -99.200 -91.000 TYR 90 0.840 83.919 -66.860 24.853 -99.200 -91.000 TYR 92 0.840 79.784 -75.916 27.687 -99.200 -91.000 TYR 101 0.840 85.133 -62.863 18.245 -99.200 -91.000 TYR 105 0.840 93.190 -64.673 23.001 -99.200 -91.000 TYR 113 0.840 73.466 -70.834 7.378 -99.200 -91.000 TYR 118 0.840 60.883 -83.502 6.571 -99.200 -91.000 HIS 142 0.900 61.492 -91.298 22.133 -99.200 -91.000 PHE 145 1.000 70.100 -89.943 21.417 -99.200 -91.000 PHE 146 1.000 68.960 -88.639 27.790 -99.200 -91.000 TYR 148 0.840 74.067 -96.602 20.709 -99.200 -91.000 TYR 153 0.840 68.121 -94.860 19.510 -99.200 -91.000 TYR 154 0.840 63.408 -98.638 14.022 -99.200 -91.000 HIS 164 0.900 70.969 -83.963 21.786 -99.200 -91.000 TYR 171 0.840 77.958 -92.531 4.211 -99.200 -91.000 TYR 179 0.840 77.003 -97.306 11.136 -99.200 -91.000 TRP 180 1.040 71.886 -91.207 8.922 -99.200 -91.000 TRP6 180 1.020 73.015 -90.451 6.992 -99.200 -91.000 TRP 186 1.040 73.867 -85.378 25.841 -99.200 -91.000 TRP6 186 1.020 72.056 -86.859 25.519 -99.200 -91.000 HIS 188 0.900 85.348 -92.266 26.190 -99.200 -91.000 PHE 190 1.000 74.958 -90.945 23.895 -99.200 -91.000 TYR 195 0.840 81.947 -90.099 18.119 -99.200 -91.000 HIS 205 0.900 64.135 -94.478 13.982 -99.200 -91.000 PHE 211 1.000 65.681 -78.699 12.294 -99.200 -91.000 TYR 214 0.840 77.404 -78.453 3.561 -99.200 -91.000