============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 10 1.000 7.798 13.285 19.212 -99.200 -91.000 HIS 11 0.900 8.606 12.356 25.869 -99.200 -91.000 PHE 25 1.000 11.417 8.757 13.396 -99.200 -91.000 HIS 32 0.900 19.051 14.019 -0.193 -99.200 -91.000 HIS 35 0.900 17.309 13.778 3.299 -99.200 -91.000 PHE 54 1.000 20.391 14.694 17.678 -99.200 -91.000 PHE 60 1.000 28.312 13.818 11.669 -99.200 -91.000 TYR 66 0.840 28.962 17.640 15.143 -99.200 -91.000 TYR 69 0.840 25.355 16.250 7.589 -99.200 -91.000 PHE 89 1.000 12.059 14.682 18.818 -99.200 -91.000 TYR 97 0.840 23.208 11.153 22.500 -99.200 -91.000 HIS 123 0.900 28.039 6.111 10.872 -99.200 -91.000 PHE 124 1.000 27.677 0.732 10.320 -99.200 -91.000 TYR 143 0.840 7.527 4.618 5.680 -99.200 -91.000 TYR 149 0.840 21.939 -3.884 1.393 -99.200 -91.000 PHE 161 1.000 18.324 -4.109 22.281 -99.200 -91.000 PHE 162 1.000 12.516 -9.207 22.224 -99.200 -91.000 TYR 200 0.840 28.010 7.228 -9.296 -99.200 -91.000 PHE 208 1.000 30.024 -2.690 -11.512 -99.200 -91.000 TYR 227 0.840 33.753 0.936 1.385 -99.200 -91.000 PHE 236 1.000 27.207 -3.309 -0.173 -99.200 -91.000 PHE 239 1.000 33.077 8.698 -4.856 -99.200 -91.000 TYR 240 0.840 37.200 10.977 2.331 -99.200 -91.000 PHE 250 1.000 26.601 0.446 -8.203 -99.200 -91.000