============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 27 0.840 48.638 13.138 17.631 -99.200 -91.000 PHE 55 1.000 59.104 -4.839 13.879 -99.200 -91.000 HIS 91 0.900 50.526 -1.610 17.171 -99.200 -91.000 TYR 101 0.840 42.583 -13.050 18.085 -99.200 -91.000 PHE 102 1.000 50.114 -12.256 12.681 -99.200 -91.000 HIS 104 0.900 45.622 -14.313 22.917 -99.200 -91.000 PHE 115 1.000 51.252 -5.997 20.691 -99.200 -91.000 TYR 163 0.840 37.594 -12.755 25.835 -99.200 -91.000 PHE 175 1.000 42.728 0.339 23.095 -99.200 -91.000 TYR 182 0.840 39.180 -3.337 31.418 -99.200 -91.000 TYR 192 0.840 44.849 -4.702 43.501 -99.200 -91.000 TYR 193 0.840 47.634 -10.515 36.212 -99.200 -91.000 HIS 201 0.900 46.727 -18.043 26.010 -99.200 -91.000 PHE 207 1.000 45.514 -20.710 14.287 -99.200 -91.000 TYR 222 0.840 29.532 -1.396 8.783 -99.200 -91.000 TYR 224 0.840 26.097 -0.653 3.607 -99.200 -91.000 TYR 230 0.840 29.639 -1.798 -5.534 -99.200 -91.000 TYR 232 0.840 29.308 -9.673 -0.076 -99.200 -91.000 HIS 238 0.900 40.589 -6.169 -7.217 -99.200 -91.000 TYR 245 0.840 27.428 -9.526 6.545 -99.200 -91.000 HIS 300 0.900 39.880 -8.671 18.464 -99.200 -91.000 TYR 321 0.840 41.940 -23.780 13.216 -99.200 -91.000 PHE 322 1.000 36.958 -17.332 13.037 -99.200 -91.000 HIS 323 0.900 31.860 -22.025 17.512 -99.200 -91.000 TYR 325 0.840 43.234 -21.536 18.493 -99.200 -91.000