============================================================================= 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 60.076 -1.366 18.411 -99.200 -91.000 TYR 14 0.840 55.232 11.026 21.047 -99.200 -91.000 TYR 22 0.840 50.354 3.020 41.838 -99.200 -91.000 HIS 23 0.900 53.295 3.710 33.843 -99.200 -91.000 PHE 24 1.000 47.953 6.897 37.573 -99.200 -91.000 TRP 34 1.040 47.148 22.964 29.005 -99.200 -91.000 TRP6 34 1.020 45.204 22.492 30.197 -99.200 -91.000 HIS 40 0.900 40.718 3.859 31.065 -99.200 -91.000 TYR 42 0.840 40.143 12.511 38.411 -99.200 -91.000 PHE 64 1.000 60.527 12.182 38.703 -99.200 -91.000 HIS 73 0.900 34.018 14.995 26.414 -99.200 -91.000 TYR 76 0.840 35.042 8.298 31.514 -99.200 -91.000 TRP 121 1.040 57.829 2.965 30.889 -99.200 -91.000 TRP6 121 1.020 57.202 5.148 30.328 -99.200 -91.000 TYR 131 0.840 52.449 -4.383 35.070 -99.200 -91.000 TYR 152 0.840 36.673 -5.391 20.959 -99.200 -91.000 PHE 161 1.000 42.345 4.799 16.410 -99.200 -91.000 TYR 165 0.840 50.142 -6.230 14.244 -99.200 -91.000 TRP 193 1.040 37.275 0.079 25.062 -99.200 -91.000 TRP6 193 1.020 36.215 -1.818 24.204 -99.200 -91.000 TYR 206 0.840 44.520 1.522 20.509 -99.200 -91.000 TYR 212 0.840 36.900 13.153 21.844 -99.200 -91.000 TRP 215 1.040 36.193 19.207 25.297 -99.200 -91.000 TRP6 215 1.020 37.747 17.891 26.472 -99.200 -91.000