============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 17 1.000 2.152 4.552 0.568 -99.200 -91.000 PHE 27 1.000 14.173 -0.238 4.668 -99.200 -91.000 HIS 36 0.900 36.150 5.297 1.567 -99.200 -91.000 TYR 40 0.840 24.399 -2.038 -3.719 -99.200 -91.000 TYR 56 0.840 25.748 -2.376 11.386 -99.200 -91.000 TRP 65 1.040 22.537 13.495 12.005 -99.200 -91.000 TRP6 65 1.020 20.267 13.067 12.493 -99.200 -91.000 TRP 72 1.040 14.603 8.865 7.027 -99.200 -91.000 TRP6 72 1.020 15.673 10.542 8.293 -99.200 -91.000 HIS 73 0.900 17.599 8.520 -2.742 -99.200 -91.000 HIS 74 0.900 16.224 0.833 0.026 -99.200 -91.000 PHE 76 1.000 11.049 9.934 2.046 -99.200 -91.000 TYR 77 0.840 13.330 9.571 -4.198 -99.200 -91.000 HIS 87 0.900 3.202 11.137 -1.074 -99.200 -91.000 PHE 110 1.000 9.844 20.931 6.937 -99.200 -91.000 PHE 113 1.000 15.428 12.668 1.966 -99.200 -91.000 TYR 119 0.840 3.853 15.785 15.501 -99.200 -91.000 TYR 129 0.840 -1.169 8.742 20.768 -99.200 -91.000 HIS 147 0.900 13.826 4.043 25.545 -99.200 -91.000 TYR 152 0.840 -2.863 12.322 33.524 -99.200 -91.000 TYR 155 0.840 0.612 16.103 25.023 -99.200 -91.000 HIS 159 0.900 8.273 12.973 35.940 -99.200 -91.000 TYR 174 0.840 22.634 -15.226 27.727 -99.200 -91.000 TYR 184 0.840 25.187 -27.559 17.962 -99.200 -91.000 PHE 186 1.000 24.817 -21.223 15.536 -99.200 -91.000 TYR 204 0.840 9.517 -21.467 27.219 -99.200 -91.000 PHE 209 1.000 16.052 -18.941 34.798 -99.200 -91.000 TYR 226 0.840 16.354 -23.265 13.413 -99.200 -91.000 PHE 241 1.000 13.773 -22.343 30.760 -99.200 -91.000 PHE 248 1.000 10.785 -10.661 32.708 -99.200 -91.000 PHE 252 1.000 20.067 -15.225 33.597 -99.200 -91.000 HIS 261 0.900 11.567 -7.812 37.268 -99.200 -91.000 TYR 265 0.840 7.479 -0.686 42.339 -99.200 -91.000 TYR 280 0.840 1.015 -0.251 39.889 -99.200 -91.000 TYR 292 0.840 11.773 -13.324 23.465 -99.200 -91.000 TYR 323 0.840 5.292 -5.303 11.466 -99.200 -91.000 TRP 326 1.040 4.214 2.197 9.739 -99.200 -91.000 TRP6 326 1.020 2.023 1.829 8.973 -99.200 -91.000 PHE 338 1.000 -0.437 14.536 13.306 -99.200 -91.000 TRP 342 1.040 0.303 16.685 8.829 -99.200 -91.000 TRP6 342 1.020 1.731 14.817 8.894 -99.200 -91.000 TYR 348 0.840 13.264 24.085 8.061 -99.200 -91.000 HIS 357 0.900 12.743 20.805 19.723 -99.200 -91.000