============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 6 1.000 21.171 22.657 19.463 -99.200 -91.000 TYR 7 0.840 16.610 23.053 20.987 -99.200 -91.000 HIS 40 0.900 11.108 11.096 15.546 -99.200 -91.000 PHE 41 1.000 8.021 4.600 10.307 -99.200 -91.000 HIS 42 0.900 4.784 7.329 7.743 -99.200 -91.000 PHE 45 1.000 12.228 4.151 8.277 -99.200 -91.000 PHE 61 1.000 8.644 22.169 -1.415 -99.200 -91.000 PHE 68 1.000 1.100 6.107 -4.067 -99.200 -91.000 PHE 77 1.000 0.587 16.239 8.964 -99.200 -91.000 TRP 117 1.040 14.696 8.524 24.819 -99.200 -91.000 TRP6 117 1.020 12.519 7.762 24.277 -99.200 -91.000 PHE 130 1.000 13.766 16.000 0.353 -99.200 -91.000 PHE 142 1.000 1.871 -3.307 -0.163 -99.200 -91.000 PHE 143 1.000 7.366 -2.601 1.620 -99.200 -91.000 PHE 152 1.000 12.558 -0.415 9.963 -99.200 -91.000 HIS 170 0.900 2.703 -0.877 13.589 -99.200 -91.000 PHE 172 1.000 1.275 4.500 21.005 -99.200 -91.000 PHE 179 1.000 -3.544 0.892 4.940 -99.200 -91.000 TYR 185 0.840 -13.055 -10.779 4.357 -99.200 -91.000 PHE 187 1.000 -1.164 -12.960 3.021 -99.200 -91.000 TYR 201 0.840 -6.839 -10.078 16.265 -99.200 -91.000 PHE 221 1.000 -1.239 -0.764 13.589 -99.200 -91.000 PHE 229 1.000 5.803 2.482 23.441 -99.200 -91.000 TYR 233 0.840 4.020 -5.202 17.591 -99.200 -91.000 TYR 234 0.840 7.659 -6.318 20.623 -99.200 -91.000 PHE 251 1.000 6.371 -16.038 17.100 -99.200 -91.000 PHE 266 1.000 12.834 -6.351 21.688 -99.200 -91.000 PHE 273 1.000 8.779 -2.478 23.348 -99.200 -91.000 PHE 274 1.000 8.552 0.285 28.296 -99.200 -91.000 PHE 277 1.000 9.884 2.778 21.045 -99.200 -91.000