============================================================================= 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. TYR 64 0.840 -15.232 7.165 29.687 -99.200 -91.000 PHE 71 1.000 -11.009 -9.330 24.368 -99.200 -91.000 PHE 72 1.000 -11.396 -0.926 23.448 -99.200 -91.000 TYR 84 0.840 3.614 0.361 12.420 -99.200 -91.000 HIS 86 0.900 5.632 6.273 14.877 -99.200 -91.000 TYR 87 0.840 13.150 5.644 10.993 -99.200 -91.000 TYR 98 0.840 15.661 10.787 15.748 -99.200 -91.000 TRP 109 1.040 -0.342 2.578 5.587 -99.200 -91.000 TRP6 109 1.020 -0.692 4.187 7.289 -99.200 -91.000 TYR 116 0.840 8.740 16.048 1.633 -99.200 -91.000 HIS 125 0.900 16.191 12.162 -3.478 -99.200 -91.000 HIS 129 0.900 9.291 5.915 -5.044 -99.200 -91.000 HIS 162 0.900 1.388 8.569 -6.180 -99.200 -91.000 TYR 169 0.840 -7.510 18.686 2.445 -99.200 -91.000 PHE 211 1.000 -14.976 14.900 -4.124 -99.200 -91.000 TRP 220 1.040 -14.351 15.266 -17.208 -99.200 -91.000 TRP6 220 1.020 -12.447 13.859 -17.190 -99.200 -91.000 TYR 234 0.840 -15.629 7.987 -9.391 -99.200 -91.000 PHE 259 1.000 -21.456 8.306 3.301 -99.200 -91.000 TRP 268 1.040 -18.972 8.206 23.083 -99.200 -91.000 TRP6 268 1.020 -17.567 6.874 24.435 -99.200 -91.000 TYR 275 0.840 -2.043 25.213 34.813 -99.200 -91.000 HIS 276 0.900 -2.619 23.215 38.090 -99.200 -91.000 PHE 317 1.000 -12.260 -7.420 0.574 -99.200 -91.000 PHE 318 1.000 -5.311 -2.050 0.656 -99.200 -91.000 PHE 349 1.000 -14.946 -10.916 4.328 -99.200 -91.000 HIS 364 0.900 1.099 10.739 13.921 -99.200 -91.000 HIS 366 0.900 -4.201 11.615 19.094 -99.200 -91.000 TYR 396 0.840 -4.926 15.142 26.141 -99.200 -91.000 TYR 407 0.840 -8.143 -14.136 12.128 -99.200 -91.000 HIS 410 0.900 1.811 -14.549 3.669 -99.200 -91.000 PHE 424 1.000 4.682 -1.237 -0.931 -99.200 -91.000 TYR 425 0.840 8.951 -3.396 0.512 -99.200 -91.000