============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 6 1.000 -10.636 -13.360 -75.300 -99.200 -91.000 HIS 19 0.900 -13.005 -21.058 -63.948 -99.200 -91.000 HIS 27 0.900 6.848 -12.106 -76.942 -99.200 -91.000 HIS 46 0.900 9.160 -16.496 -77.641 -99.200 -91.000 HIS 55 0.900 16.564 -23.637 -75.763 -99.200 -91.000 PHE 56 1.000 17.320 -15.914 -71.940 -99.200 -91.000 PHE 68 1.000 11.611 -21.982 -71.296 -99.200 -91.000 PHE 75 1.000 12.986 -23.063 -76.327 -99.200 -91.000 HIS 118 0.900 2.369 -4.778 -77.756 -99.200 -91.000 TYR 127 0.840 -0.752 -8.113 -66.615 -99.200 -91.000 TYR 147 0.840 0.002 0.912 -60.917 -99.200 -91.000 HIS 178 0.900 1.332 10.870 -73.964 -99.200 -91.000 TYR 180 0.840 11.521 3.915 -71.715 -99.200 -91.000 HIS 181 0.900 7.994 0.388 -73.390 -99.200 -91.000 PHE 192 1.000 6.075 12.424 -59.651 -99.200 -91.000 PHE 194 1.000 6.039 12.421 -68.257 -99.200 -91.000 PHE 220 1.000 13.987 14.933 -59.023 -99.200 -91.000 PHE 222 1.000 12.814 9.535 -63.116 -99.200 -91.000 TRP 225 1.040 21.157 1.058 -66.026 -99.200 -91.000 TRP6 225 1.020 22.089 -1.063 -65.564 -99.200 -91.000 TRP 245 1.040 25.352 14.150 -72.015 -99.200 -91.000 TRP6 245 1.020 23.720 13.646 -70.376 -99.200 -91.000 PHE 248 1.000 23.098 22.500 -75.198 -99.200 -91.000 TYR 257 0.840 20.768 11.275 -67.019 -99.200 -91.000 PHE 270 1.000 -0.925 -5.506 -62.418 -99.200 -91.000