============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 9 1.000 14.862 17.517 21.296 -99.200 -91.000 PHE 21 1.000 16.842 7.609 22.373 -99.200 -91.000 PHE 35 1.000 7.573 28.404 20.000 -99.200 -91.000 TYR 40 0.840 16.565 25.027 15.180 -99.200 -91.000 TYR 43 0.840 22.575 23.456 14.819 -99.200 -91.000 PHE 45 1.000 19.794 14.067 21.118 -99.200 -91.000 TYR 47 0.840 27.064 19.966 15.414 -99.200 -91.000 HIS 51 0.900 25.816 19.120 29.656 -99.200 -91.000 PHE 54 1.000 23.347 11.127 20.822 -99.200 -91.000 HIS 55 0.900 29.818 7.814 22.192 -99.200 -91.000 PHE 75 1.000 2.791 13.770 18.021 -99.200 -91.000 TRP 85 1.040 1.402 13.716 24.640 -99.200 -91.000 TRP6 85 1.020 3.623 14.095 23.921 -99.200 -91.000 TYR 92 0.840 5.352 6.596 33.072 -99.200 -91.000 PHE 100 1.000 1.807 24.319 28.288 -99.200 -91.000 HIS 109 0.900 1.481 17.353 27.907 -99.200 -91.000 PHE 129 1.000 6.248 12.039 44.416 -99.200 -91.000 HIS 135 0.900 13.170 7.005 45.436 -99.200 -91.000 TYR 138 0.840 4.418 7.255 41.177 -99.200 -91.000 HIS 163 0.900 15.835 16.698 60.472 -99.200 -91.000 PHE 166 1.000 25.859 15.277 62.382 -99.200 -91.000 HIS 177 0.900 20.886 27.799 38.663 -99.200 -91.000 TRP 194 1.040 10.413 45.286 37.047 -99.200 -91.000 TRP6 194 1.020 10.139 47.415 38.041 -99.200 -91.000 PHE 231 1.000 23.572 36.642 45.883 -99.200 -91.000 TYR 253 0.840 33.419 20.616 57.493 -99.200 -91.000 TYR 274 0.840 33.253 13.113 51.480 -99.200 -91.000 HIS 277 0.900 40.316 14.451 44.849 -99.200 -91.000 PHE 284 1.000 31.736 18.899 41.323 -99.200 -91.000 HIS 289 0.900 27.603 11.720 41.792 -99.200 -91.000 PHE 293 1.000 30.000 17.903 52.701 -99.200 -91.000 HIS 304 0.900 25.353 22.186 69.075 -99.200 -91.000 PHE 305 1.000 25.359 29.720 62.384 -99.200 -91.000 TRP 311 1.040 31.067 22.139 44.044 -99.200 -91.000 TRP6 311 1.020 31.343 24.240 42.994 -99.200 -91.000 TYR 312 0.840 22.520 22.984 41.997 -99.200 -91.000 PHE 316 1.000 24.949 14.875 31.469 -99.200 -91.000 TYR 318 0.840 15.018 18.539 37.330 -99.200 -91.000 HIS 328 0.900 10.116 4.418 42.648 -99.200 -91.000