============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 61 0.840 22.216 9.681 22.857 -99.200 -91.000 PHE 68 1.000 18.047 -6.329 16.294 -99.200 -91.000 PHE 69 1.000 18.412 -0.509 22.438 -99.200 -91.000 TYR 81 0.840 3.435 -6.670 31.612 -99.200 -91.000 HIS 83 0.900 1.390 -0.647 33.583 -99.200 -91.000 TYR 84 0.840 -6.105 -3.656 36.091 -99.200 -91.000 TYR 95 0.840 -8.610 3.367 35.806 -99.200 -91.000 TRP 106 1.040 7.372 -9.420 38.237 -99.200 -91.000 TRP6 106 1.020 7.726 -7.098 38.030 -99.200 -91.000 TYR 113 0.840 -1.739 -1.868 49.944 -99.200 -91.000 HIS 122 0.900 -9.058 -8.293 51.215 -99.200 -91.000 HIS 126 0.900 -2.214 -13.879 48.422 -99.200 -91.000 HIS 159 0.900 5.734 -12.523 51.029 -99.200 -91.000 TYR 166 0.840 14.363 0.859 51.067 -99.200 -91.000 PHE 208 1.000 21.913 -6.298 53.473 -99.200 -91.000 TRP 217 1.040 21.454 -14.476 63.632 -99.200 -91.000 TRP6 217 1.020 19.608 -15.611 62.664 -99.200 -91.000 TYR 231 0.840 22.676 -14.960 53.003 -99.200 -91.000 PHE 256 1.000 28.418 -6.535 43.669 -99.200 -91.000 TRP 265 1.040 25.952 6.224 28.573 -99.200 -91.000 TRP6 265 1.020 24.547 6.104 26.675 -99.200 -91.000 TYR 272 0.840 9.385 27.167 29.930 -99.200 -91.000 HIS 273 0.900 9.730 27.147 26.064 -99.200 -91.000 PHE 314 1.000 19.288 -20.247 35.571 -99.200 -91.000 PHE 315 1.000 12.338 -16.131 38.969 -99.200 -91.000 PHE 347 1.000 22.017 -20.412 30.470 -99.200 -91.000 HIS 362 0.900 5.881 2.170 37.204 -99.200 -91.000 HIS 364 0.900 11.307 6.316 33.815 -99.200 -91.000 TYR 394 0.840 12.004 13.596 30.717 -99.200 -91.000 HIS 396 0.900 7.376 5.570 36.952 -99.200 -91.000 TYR 406 0.840 15.334 -17.786 22.438 -99.200 -91.000 HIS 409 0.900 5.253 -23.838 28.359 -99.200 -91.000 PHE 423 1.000 2.369 -16.587 40.669 -99.200 -91.000 TYR 424 0.840 -1.873 -17.333 38.115 -99.200 -91.000