============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 9 0.900 89.130 0.499 4.321 -99.200 -91.000 HIS 17 0.900 89.626 6.956 23.411 -99.200 -91.000 TYR 19 0.840 90.608 -1.228 27.944 -99.200 -91.000 PHE 21 1.000 86.880 -7.131 24.909 -99.200 -91.000 HIS 55 0.900 84.127 -18.053 30.910 -99.200 -91.000 TYR 56 0.840 87.785 -12.678 30.372 -99.200 -91.000 HIS 67 0.900 66.837 -7.346 25.763 -99.200 -91.000 HIS 70 0.900 72.155 -14.094 21.453 -99.200 -91.000 PHE 89 1.000 85.629 -0.360 30.886 -99.200 -91.000 HIS 94 0.900 80.645 -1.587 14.628 -99.200 -91.000 HIS 96 0.900 80.980 -2.707 7.969 -99.200 -91.000 TYR 112 0.840 76.408 20.459 37.218 -99.200 -91.000 PHE 116 1.000 73.536 16.917 27.190 -99.200 -91.000 PHE 117 1.000 68.086 14.869 29.124 -99.200 -91.000 TRP 138 1.040 77.704 32.160 16.941 -99.200 -91.000 TRP6 138 1.020 76.048 32.563 18.573 -99.200 -91.000 PHE 150 1.000 86.806 18.688 22.242 -99.200 -91.000 TYR 156 0.840 86.331 22.961 5.851 -99.200 -91.000 PHE 158 1.000 83.932 19.202 2.794 -99.200 -91.000 TRP 162 1.040 84.320 17.254 -3.510 -99.200 -91.000 TRP6 162 1.020 82.555 17.011 -1.972 -99.200 -91.000 PHE 181 1.000 92.245 32.072 8.744 -99.200 -91.000 HIS 182 0.900 87.804 30.404 1.184 -99.200 -91.000 PHE 183 1.000 91.836 25.666 6.908 -99.200 -91.000 TYR 196 0.840 85.862 11.637 7.975 -99.200 -91.000 TYR 209 0.840 95.921 7.274 18.406 -99.200 -91.000 PHE 230 1.000 79.534 1.951 9.198 -99.200 -91.000 HIS 240 0.900 93.255 14.826 11.013 -99.200 -91.000 TYR 243 0.840 95.495 19.759 9.065 -99.200 -91.000 HIS 250 0.900 98.826 18.612 21.117 -99.200 -91.000 TRP 264 1.040 75.748 22.197 2.924 -99.200 -91.000 TRP6 264 1.020 76.494 23.480 4.766 -99.200 -91.000 HIS 270 0.900 90.525 21.792 15.373 -99.200 -91.000 PHE 276 1.000 85.544 9.636 25.887 -99.200 -91.000 TYR 279 0.840 77.693 6.133 21.425 -99.200 -91.000 TRP 294 1.040 63.950 20.796 8.531 -99.200 -91.000 TRP6 294 1.020 62.897 19.471 6.885 -99.200 -91.000