============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 3 0.840 19.440 -7.081 51.274 -99.200 -91.000 TYR 6 0.840 22.858 -10.317 52.247 -99.200 -91.000 TRP 25 1.040 37.741 12.321 57.132 -99.200 -91.000 TRP6 25 1.020 37.227 14.575 57.556 -99.200 -91.000 TRP 28 1.040 43.978 15.551 51.036 -99.200 -91.000 TRP6 28 1.020 44.835 17.297 49.696 -99.200 -91.000 TYR 35 0.840 51.788 17.272 45.788 -99.200 -91.000 PHE 65 1.000 42.149 -0.826 41.433 -99.200 -91.000 HIS 78 0.900 36.011 0.010 22.703 -99.200 -91.000 HIS 83 0.900 43.651 -8.035 18.681 -99.200 -91.000 PHE 84 1.000 37.336 -9.115 12.728 -99.200 -91.000 HIS 85 0.900 36.223 -2.683 13.930 -99.200 -91.000 HIS 95 0.900 30.529 -16.299 16.358 -99.200 -91.000 PHE 96 1.000 32.266 -10.067 20.433 -99.200 -91.000 HIS 103 0.900 24.183 -7.296 34.834 -99.200 -91.000 HIS 112 0.900 24.721 -0.416 20.003 -99.200 -91.000 PHE 123 1.000 22.934 -13.081 22.356 -99.200 -91.000 HIS 189 0.900 34.199 -11.239 30.517 -99.200 -91.000 PHE 210 1.000 39.951 -10.031 27.743 -99.200 -91.000 HIS 216 0.900 26.671 -3.645 43.179 -99.200 -91.000 PHE 218 1.000 34.404 -8.218 45.880 -99.200 -91.000 TYR 219 0.840 28.705 -8.724 52.515 -99.200 -91.000 TYR 227 0.840 43.177 -12.446 35.076 -99.200 -91.000 PHE 234 1.000 52.297 -13.934 28.130 -99.200 -91.000 TYR 238 0.840 43.543 -3.105 20.295 -99.200 -91.000 PHE 242 1.000 41.348 6.411 23.156 -99.200 -91.000 PHE 250 1.000 46.603 -1.539 28.973 -99.200 -91.000 TYR 277 0.840 33.418 -13.758 54.307 -99.200 -91.000 HIS 280 0.900 26.437 -17.753 58.112 -99.200 -91.000 TYR 287 0.840 16.858 -23.904 59.349 -99.200 -91.000 PHE 296 1.000 4.943 -21.951 52.256 -99.200 -91.000 HIS 302 0.900 6.981 -26.442 40.966 -99.200 -91.000 PHE 307 1.000 18.189 -26.421 36.228 -99.200 -91.000 PHE 319 1.000 10.831 -19.875 47.735 -99.200 -91.000 HIS 329 0.900 3.402 -8.815 41.063 -99.200 -91.000 TYR 352 0.840 19.078 -20.743 34.159 -99.200 -91.000 PHE 356 1.000 2.945 -17.635 32.277 -99.200 -91.000