============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 4 1.000 15.410 -1.124 27.410 -99.200 -91.000 PHE 6 1.000 21.750 -2.583 23.739 -99.200 -91.000 PHE 32 1.000 16.283 7.011 10.193 -99.200 -91.000 TYR 62 0.840 5.762 22.221 20.340 -99.200 -91.000 HIS 63 0.900 4.785 19.687 16.039 -99.200 -91.000 HIS 80 0.900 1.938 1.857 20.799 -99.200 -91.000 PHE 82 1.000 -5.529 9.585 16.918 -99.200 -91.000 TRP 85 1.040 4.527 1.527 15.068 -99.200 -91.000 TRP6 85 1.020 5.722 0.842 13.186 -99.200 -91.000 TYR 96 0.840 15.684 20.245 19.435 -99.200 -91.000 PHE 109 1.000 4.357 25.074 25.260 -99.200 -91.000 HIS 111 0.900 -1.216 23.789 26.013 -99.200 -91.000 HIS 123 0.900 0.219 6.574 31.782 -99.200 -91.000 PHE 133 1.000 10.580 19.404 30.121 -99.200 -91.000 TYR 139 0.840 27.789 24.969 18.154 -99.200 -91.000 TRP 156 1.040 14.003 20.544 34.913 -99.200 -91.000 TRP6 156 1.020 13.740 21.812 32.935 -99.200 -91.000 PHE 164 1.000 9.314 5.007 33.243 -99.200 -91.000 PHE 177 1.000 16.396 4.597 25.707 -99.200 -91.000 PHE 185 1.000 31.930 24.171 26.277 -99.200 -91.000 PHE 201 1.000 17.552 8.393 33.570 -99.200 -91.000 TYR 204 0.840 22.272 5.787 30.669 -99.200 -91.000 PHE 219 1.000 31.243 11.962 12.401 -99.200 -91.000 PHE 224 1.000 34.419 15.400 24.334 -99.200 -91.000 HIS 235 0.900 26.061 3.715 24.343 -99.200 -91.000 TYR 236 0.840 17.187 8.823 20.397 -99.200 -91.000 PHE 257 1.000 22.583 6.518 14.407 -99.200 -91.000 PHE 272 1.000 19.073 11.207 2.010 -99.200 -91.000 TRP 274 1.040 23.042 1.950 -1.781 -99.200 -91.000 TRP6 274 1.020 23.474 2.013 0.542 -99.200 -91.000 PHE 285 1.000 18.180 13.147 -11.582 -99.200 -91.000 HIS 297 0.900 17.824 -5.180 -2.850 -99.200 -91.000 TRP 304 1.040 5.522 3.913 -10.079 -99.200 -91.000 TRP6 304 1.020 5.072 2.877 -8.018 -99.200 -91.000 TYR 308 0.840 4.623 8.372 -12.172 -99.200 -91.000 HIS 310 0.900 11.966 16.040 -13.511 -99.200 -91.000 HIS 311 0.900 4.125 14.331 -14.295 -99.200 -91.000 HIS 327 0.900 14.990 5.551 -2.720 -99.200 -91.000 PHE 331 1.000 20.369 5.013 0.778 -99.200 -91.000 TYR 332 0.840 18.120 8.018 6.213 -99.200 -91.000 PHE 348 1.000 30.448 0.236 11.121 -99.200 -91.000 PHE 351 1.000 28.344 -0.374 5.004 -99.200 -91.000 PHE 355 1.000 27.638 5.604 3.221 -99.200 -91.000 TYR 359 0.840 25.921 9.407 0.817 -99.200 -91.000 PHE 360 1.000 30.608 11.777 1.694 -99.200 -91.000