============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 21 1.040 -2.312 5.283 8.731 -99.200 -91.000 TRP6 21 1.020 -3.166 3.282 9.616 -99.200 -91.000 TYR 40 0.840 13.506 1.108 3.715 -99.200 -91.000 HIS 42 0.900 7.502 0.760 -3.073 -99.200 -91.000 HIS 47 0.900 -4.962 14.885 0.527 -99.200 -91.000 TYR 49 0.840 -1.175 6.791 4.333 -99.200 -91.000 PHE 74 1.000 7.376 2.375 -8.462 -99.200 -91.000 TRP 80 1.040 -9.918 10.011 1.734 -99.200 -91.000 TRP6 80 1.020 -9.433 7.860 2.565 -99.200 -91.000 TYR 83 0.840 -9.877 15.026 -2.507 -99.200 -91.000 HIS 84 0.900 -13.193 6.925 -5.198 -99.200 -91.000 TYR 104 0.840 8.475 11.034 -12.420 -99.200 -91.000 TYR 108 0.840 -3.048 9.610 -7.495 -99.200 -91.000 HIS 111 0.900 -5.632 5.196 0.742 -99.200 -91.000 TRP 112 1.040 -9.710 2.360 1.548 -99.200 -91.000 TRP6 112 1.020 -10.138 0.259 2.541 -99.200 -91.000 PHE 116 1.000 -15.465 7.054 2.339 -99.200 -91.000 PHE 122 1.000 -8.257 13.680 4.932 -99.200 -91.000 PHE 123 1.000 -11.965 7.810 7.100 -99.200 -91.000 TRP 142 1.040 -8.902 2.253 -14.787 -99.200 -91.000 TRP6 142 1.020 -7.208 1.979 -13.183 -99.200 -91.000 PHE 162 1.000 -10.659 -0.883 -6.781 -99.200 -91.000 HIS 164 0.900 -13.364 -12.543 -7.537 -99.200 -91.000 TYR 178 0.840 -2.695 4.261 -19.871 -99.200 -91.000 HIS 188 0.900 -2.050 -9.844 8.330 -99.200 -91.000 TYR 190 0.840 -1.619 -13.738 13.142 -99.200 -91.000 TYR 199 0.840 -9.177 -11.900 -10.579 -99.200 -91.000 TYR 210 0.840 -3.494 -2.578 3.298 -99.200 -91.000 TRP 220 1.040 -8.800 -0.669 13.458 -99.200 -91.000 TRP6 220 1.020 -8.121 0.943 11.886 -99.200 -91.000 HIS 241 0.900 15.745 -18.747 8.487 -99.200 -91.000 PHE 252 1.000 4.236 -15.365 4.579 -99.200 -91.000 PHE 274 1.000 16.698 -1.750 1.863 -99.200 -91.000 PHE 277 1.000 16.342 -6.880 -0.442 -99.200 -91.000 PHE 279 1.000 15.720 -13.773 6.347 -99.200 -91.000 TYR 292 0.840 2.115 -19.963 12.008 -99.200 -91.000 TRP 296 1.040 -7.908 -10.880 13.263 -99.200 -91.000 TRP6 296 1.020 -5.994 -9.643 13.764 -99.200 -91.000 HIS 307 0.900 -19.400 3.255 -0.815 -99.200 -91.000 TYR 310 0.840 -16.890 -3.415 3.792 -99.200 -91.000 PHE 312 1.000 -11.807 -5.230 2.743 -99.200 -91.000 HIS 313 0.900 -20.435 -6.388 2.753 -99.200 -91.000 PHE 316 1.000 -11.528 -14.862 -5.138 -99.200 -91.000