============================================================================= 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 59.905 -1.416 18.564 -99.200 -91.000 TYR 14 0.840 55.302 11.019 21.149 -99.200 -91.000 TYR 22 0.840 50.376 2.936 41.848 -99.200 -91.000 HIS 23 0.900 53.289 3.815 33.925 -99.200 -91.000 PHE 24 1.000 47.963 6.935 37.602 -99.200 -91.000 TRP 34 1.040 47.238 23.009 28.993 -99.200 -91.000 TRP6 34 1.020 45.285 22.516 30.202 -99.200 -91.000 HIS 40 0.900 40.883 3.605 31.241 -99.200 -91.000 TYR 42 0.840 40.080 12.481 38.492 -99.200 -91.000 PHE 64 1.000 60.562 12.137 38.736 -99.200 -91.000 HIS 73 0.900 34.018 15.070 26.465 -99.200 -91.000 TYR 76 0.840 35.085 8.224 31.572 -99.200 -91.000 TRP 121 1.040 57.811 2.975 30.964 -99.200 -91.000 TRP6 121 1.020 57.217 5.189 30.398 -99.200 -91.000 TYR 131 0.840 52.325 -4.402 35.369 -99.200 -91.000 TYR 152 0.840 36.617 -5.315 20.915 -99.200 -91.000 PHE 161 1.000 42.293 4.865 16.475 -99.200 -91.000 TYR 165 0.840 50.015 -6.250 14.292 -99.200 -91.000 TRP 193 1.040 37.305 0.157 25.049 -99.200 -91.000 TRP6 193 1.020 36.204 -1.741 24.231 -99.200 -91.000 TYR 206 0.840 44.570 1.629 20.445 -99.200 -91.000 TYR 212 0.840 36.901 13.108 21.838 -99.200 -91.000 TRP 215 1.040 36.144 19.223 25.340 -99.200 -91.000 TRP6 215 1.020 37.764 17.945 26.499 -99.200 -91.000