============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 7 1.000 4.139 73.672 23.963 -99.200 -91.000 HIS 22 0.900 14.966 68.325 26.988 -99.200 -91.000 TRP 39 1.040 7.373 73.893 29.390 -99.200 -91.000 TRP6 39 1.020 8.681 75.598 28.375 -99.200 -91.000 HIS 57 0.900 11.498 86.103 18.604 -99.200 -91.000 TYR 98 0.840 -33.010 96.303 9.870 -99.200 -91.000 TYR 99 0.840 -29.792 91.000 6.809 -99.200 -91.000 TYR 101 0.840 -26.964 86.751 10.048 -99.200 -91.000 PHE 130 1.000 -21.974 96.930 -0.636 -99.200 -91.000 HIS 134 0.900 -18.607 86.652 3.835 -99.200 -91.000 PHE 139 1.000 -24.295 77.098 -3.601 -99.200 -91.000 PHE 141 1.000 -31.096 76.612 -4.269 -99.200 -91.000 HIS 148 0.900 -31.802 95.345 -5.173 -99.200 -91.000 TRP 151 1.040 -20.875 92.061 -7.270 -99.200 -91.000 TRP6 151 1.020 -22.969 91.819 -8.365 -99.200 -91.000 PHE 169 1.000 -16.931 81.754 -6.224 -99.200 -91.000 HIS 173 0.900 -9.635 88.208 0.743 -99.200 -91.000 HIS 176 0.900 -20.794 89.264 0.276 -99.200 -91.000 PHE 178 1.000 -27.840 88.393 1.790 -99.200 -91.000 PHE 194 1.000 -16.729 77.286 -1.118 -99.200 -91.000