============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 2 1.000 -52.008 -49.060 11.081 -99.200 -91.000 TYR 30 0.840 -57.133 -45.046 -8.895 -99.200 -91.000 HIS 31 0.900 -55.958 -44.603 -3.974 -99.200 -91.000 HIS 53 0.900 -50.249 -27.741 12.657 -99.200 -91.000 HIS 56 0.900 -52.002 -31.752 8.604 -99.200 -91.000 PHE 92 1.000 -55.743 -34.624 12.522 -99.200 -91.000 TYR 106 0.840 -40.627 -29.978 9.699 -99.200 -91.000 TYR 107 0.840 -34.286 -24.537 9.536 -99.200 -91.000 TYR 116 0.840 -36.724 -42.619 24.244 -99.200 -91.000 HIS 118 0.900 -41.004 -34.701 17.712 -99.200 -91.000 PHE 119 1.000 -40.568 -39.465 16.059 -99.200 -91.000 HIS 125 0.900 -48.757 -35.432 25.883 -99.200 -91.000 TYR 133 0.840 -42.313 -39.623 6.175 -99.200 -91.000 PHE 180 1.000 -41.643 -50.581 14.895 -99.200 -91.000 PHE 193 1.000 -38.627 -51.214 3.791 -99.200 -91.000 HIS 199 0.900 -43.695 -56.192 8.337 -99.200 -91.000 HIS 224 0.900 -46.301 -66.529 -4.376 -99.200 -91.000 PHE 225 1.000 -40.157 -61.972 -2.039 -99.200 -91.000 HIS 239 0.900 -42.293 -47.804 -8.518 -99.200 -91.000 PHE 243 1.000 -40.464 -39.048 -5.563 -99.200 -91.000 TRP 253 1.040 -49.320 -32.945 -16.309 -99.200 -91.000 TRP6 253 1.020 -48.784 -34.879 -17.580 -99.200 -91.000 HIS 287 0.900 -41.784 -49.178 -18.959 -99.200 -91.000