============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 7 0.840 48.240 23.529 29.802 -99.200 -91.000 HIS 13 0.900 32.356 26.130 29.813 -99.200 -91.000 PHE 19 1.000 33.946 23.848 33.031 -99.200 -91.000 HIS 25 0.900 46.069 26.537 35.838 -99.200 -91.000 TRP 27 1.040 49.844 28.058 40.189 -99.200 -91.000 TRP6 27 1.020 51.256 26.769 38.795 -99.200 -91.000 PHE 32 1.000 35.695 25.151 50.438 -99.200 -91.000 PHE 41 1.000 35.225 28.966 46.274 -99.200 -91.000 TRP 52 1.040 54.014 30.983 55.525 -99.200 -91.000 TRP6 52 1.020 53.335 32.957 56.624 -99.200 -91.000 HIS 58 0.900 38.020 41.045 47.179 -99.200 -91.000 PHE 60 1.000 40.722 36.085 54.586 -99.200 -91.000 TYR 64 0.840 35.365 34.801 57.316 -99.200 -91.000 TYR 77 0.840 35.473 17.468 38.988 -99.200 -91.000 PHE 88 1.000 47.886 21.215 54.232 -99.200 -91.000 TYR 93 0.840 42.366 35.961 59.013 -99.200 -91.000 HIS 96 0.900 48.994 46.194 52.909 -99.200 -91.000 PHE 99 1.000 40.835 45.442 51.296 -99.200 -91.000 TYR 104 0.840 37.522 45.975 46.059 -99.200 -91.000 TRP 142 1.040 49.824 44.919 23.812 -99.200 -91.000 TRP6 142 1.020 47.607 45.233 24.609 -99.200 -91.000 TYR 150 0.840 38.594 25.446 42.620 -99.200 -91.000 HIS 153 0.900 31.309 28.724 34.838 -99.200 -91.000 PHE 159 1.000 23.288 27.733 40.416 -99.200 -91.000 TYR 160 0.840 30.822 31.437 44.653 -99.200 -91.000 HIS 168 0.900 44.673 29.940 28.158 -99.200 -91.000 TYR 172 0.840 43.809 44.937 28.293 -99.200 -91.000 PHE 181 1.000 41.623 53.200 28.401 -99.200 -91.000 PHE 183 1.000 32.763 50.113 32.272 -99.200 -91.000 TYR 203 0.840 32.449 30.484 22.380 -99.200 -91.000 HIS 207 0.900 39.180 31.941 27.828 -99.200 -91.000 HIS 225 0.900 61.433 27.019 36.661 -99.200 -91.000 TRP 234 1.040 39.995 46.489 41.365 -99.200 -91.000 TRP6 234 1.020 39.029 48.017 39.826 -99.200 -91.000 TYR 247 0.840 44.154 39.790 37.079 -99.200 -91.000 TYR 253 0.840 51.094 44.975 47.653 -99.200 -91.000 TRP 256 1.040 52.139 43.260 53.765 -99.200 -91.000 TRP6 256 1.020 51.094 41.188 53.319 -99.200 -91.000 HIS 262 0.900 56.714 34.223 61.487 -99.200 -91.000