============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 7 0.900 -8.234 -13.651 14.007 -99.200 -91.000 HIS 11 0.900 -5.968 -4.478 11.317 -99.200 -91.000 PHE 12 1.000 2.434 -4.451 12.080 -99.200 -91.000 PHE 33 1.000 4.345 -8.445 8.789 -99.200 -91.000 HIS 35 0.900 7.978 -16.619 3.488 -99.200 -91.000 PHE 36 1.000 7.915 -11.786 11.728 -99.200 -91.000 TRP 37 1.040 3.890 -15.018 12.316 -99.200 -91.000 TRP6 37 1.020 4.964 -15.085 14.422 -99.200 -91.000 PHE 41 1.000 11.128 -13.407 6.045 -99.200 -91.000 HIS 45 0.900 16.679 -9.383 4.013 -99.200 -91.000 PHE 59 1.000 -2.289 -0.651 11.721 -99.200 -91.000 HIS 69 0.900 1.776 4.273 23.298 -99.200 -91.000 HIS 70 0.900 5.825 -1.184 27.085 -99.200 -91.000 TYR 76 0.840 -3.122 -3.838 16.095 -99.200 -91.000 PHE 80 1.000 -6.567 -7.622 15.785 -99.200 -91.000 HIS 95 0.900 10.048 -3.031 27.665 -99.200 -91.000 PHE 101 1.000 18.657 -8.068 19.743 -99.200 -91.000 PHE 118 1.000 6.381 -11.238 18.964 -99.200 -91.000 TYR 141 0.840 -11.363 -8.372 12.005 -99.200 -91.000