============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 59.949 -1.440 18.502 -99.200 -91.000 TYR 14 0.840 55.227 11.022 21.171 -99.200 -91.000 TYR 22 0.840 50.334 2.899 41.834 -99.200 -91.000 HIS 23 0.900 53.232 3.751 33.974 -99.200 -91.000 PHE 24 1.000 47.861 6.927 37.670 -99.200 -91.000 TRP 34 1.040 47.167 22.975 29.001 -99.200 -91.000 TRP6 34 1.020 45.201 22.472 30.197 -99.200 -91.000 HIS 40 0.900 40.920 3.691 31.240 -99.200 -91.000 TYR 42 0.840 40.066 12.499 38.546 -99.200 -91.000 PHE 64 1.000 60.475 12.175 38.784 -99.200 -91.000 HIS 73 0.900 34.038 15.038 26.454 -99.200 -91.000 TYR 76 0.840 35.061 8.166 31.595 -99.200 -91.000 TRP 121 1.040 57.753 2.944 30.962 -99.200 -91.000 TRP6 121 1.020 57.156 5.157 30.383 -99.200 -91.000 TYR 131 0.840 52.334 -4.278 35.302 -99.200 -91.000 TYR 152 0.840 36.595 -5.441 20.904 -99.200 -91.000 PHE 161 1.000 42.258 4.810 16.440 -99.200 -91.000 TYR 165 0.840 49.967 -6.269 14.331 -99.200 -91.000 TRP 193 1.040 37.251 0.097 25.025 -99.200 -91.000 TRP6 193 1.020 36.151 -1.808 24.235 -99.200 -91.000 TYR 206 0.840 44.534 1.558 20.492 -99.200 -91.000 TYR 212 0.840 36.838 13.089 21.847 -99.200 -91.000 TRP 215 1.040 36.088 19.138 25.336 -99.200 -91.000 TRP6 215 1.020 37.710 17.869 26.490 -99.200 -91.000