============================================================================= 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. PHE 19 1.000 32.025 2.227 19.932 -99.200 -91.000 HIS 28 0.900 26.912 11.880 5.044 -99.200 -91.000 TYR 30 0.840 24.013 5.113 11.717 -99.200 -91.000 TYR 33 0.840 31.955 0.905 9.365 -99.200 -91.000 TYR 43 0.840 27.103 -13.815 0.001 -99.200 -91.000 HIS 45 0.900 25.646 -18.982 -0.838 -99.200 -91.000 PHE 70 1.000 34.185 -11.829 13.086 -99.200 -91.000 PHE 93 1.000 24.479 3.285 28.766 -99.200 -91.000 PHE 108 1.000 24.144 15.045 29.643 -99.200 -91.000 HIS 128 0.900 9.032 17.335 29.404 -99.200 -91.000 HIS 129 0.900 13.201 13.830 23.203 -99.200 -91.000 TYR 136 0.840 8.076 6.782 30.651 -99.200 -91.000 PHE 137 1.000 18.623 3.203 28.571 -99.200 -91.000 PHE 140 1.000 10.396 5.932 25.718 -99.200 -91.000 TYR 167 0.840 -9.951 14.817 14.104 -99.200 -91.000 PHE 175 1.000 -0.752 -2.340 13.386 -99.200 -91.000 HIS 191 0.900 -11.974 17.537 10.122 -99.200 -91.000 PHE 194 1.000 -4.021 20.559 7.659 -99.200 -91.000 HIS 204 0.900 -4.755 21.262 22.518 -99.200 -91.000 HIS 214 0.900 -6.790 9.310 32.938 -99.200 -91.000 PHE 215 1.000 -2.888 4.870 23.903 -99.200 -91.000 PHE 227 1.000 1.783 13.733 21.368 -99.200 -91.000 TYR 242 0.840 -0.498 -4.535 28.462 -99.200 -91.000 HIS 244 0.900 4.665 4.289 31.117 -99.200 -91.000 TYR 257 0.840 -4.487 10.386 5.848 -99.200 -91.000 TYR 258 0.840 -5.912 8.478 1.175 -99.200 -91.000 TYR 263 0.840 8.500 9.007 3.445 -99.200 -91.000 PHE 264 1.000 5.791 9.695 7.334 -99.200 -91.000 PHE 270 1.000 6.143 -0.237 -2.225 -99.200 -91.000 HIS 277 0.900 7.329 1.628 -12.605 -99.200 -91.000 PHE 283 1.000 3.293 10.290 -13.676 -99.200 -91.000 TYR 288 0.840 5.912 16.843 2.525 -99.200 -91.000 PHE 312 1.000 0.749 1.199 -5.234 -99.200 -91.000 TYR 314 0.840 -2.136 10.302 -10.758 -99.200 -91.000 TRP 317 1.040 5.029 -0.459 -10.356 -99.200 -91.000 TRP6 317 1.020 6.076 -0.449 -8.233 -99.200 -91.000 TYR 319 0.840 -3.581 -1.078 -3.190 -99.200 -91.000