============================================================================= 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 3 0.900 -22.927 78.313 1.254 -99.200 -91.000 PHE 11 1.000 -38.520 76.396 -1.400 -99.200 -91.000 PHE 14 1.000 -38.135 71.561 1.210 -99.200 -91.000 HIS 24 0.900 -37.135 64.667 12.370 -99.200 -91.000 TYR 36 0.840 -32.210 94.094 10.864 -99.200 -91.000 TYR 48 0.840 -31.875 82.441 14.534 -99.200 -91.000 TYR 51 0.840 -36.330 83.204 11.252 -99.200 -91.000 TRP 67 1.040 -31.115 67.331 19.816 -99.200 -91.000 TRP6 67 1.020 -29.608 68.403 18.413 -99.200 -91.000 PHE 71 1.000 -19.786 74.410 18.438 -99.200 -91.000 HIS 81 0.900 -17.992 80.093 15.852 -99.200 -91.000 TRP 82 1.040 -22.050 74.901 13.042 -99.200 -91.000 TRP6 82 1.020 -22.323 76.180 11.102 -99.200 -91.000 HIS 84 0.900 -29.294 80.333 18.389 -99.200 -91.000 PHE 86 1.000 -33.221 75.422 14.851 -99.200 -91.000 TYR 90 0.840 -40.950 72.864 9.543 -99.200 -91.000 PHE 96 1.000 -39.143 74.613 5.172 -99.200 -91.000 TYR 104 0.840 -40.496 81.977 7.251 -99.200 -91.000 HIS 110 0.900 -36.727 91.170 12.154 -99.200 -91.000