============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 36 0.840 -9.068 -6.177 -6.597 -99.200 -91.000 TRP 39 1.040 -10.755 -20.056 -4.953 -99.200 -91.000 TRP6 39 1.020 -12.703 -21.211 -4.288 -99.200 -91.000 TYR 40 0.840 -7.571 -16.479 2.049 -99.200 -91.000 TYR 53 0.840 -1.731 -13.783 -5.656 -99.200 -91.000 TRP 54 1.040 -4.921 -9.790 -7.968 -99.200 -91.000 TRP6 54 1.020 -2.618 -9.367 -8.265 -99.200 -91.000 PHE 66 1.000 -4.392 -27.370 -3.874 -99.200 -91.000 PHE 75 1.000 -14.730 -15.042 -9.333 -99.200 -91.000 TYR 90 0.840 -9.485 -26.956 0.085 -99.200 -91.000 TYR 91 0.840 -13.738 -21.357 5.318 -99.200 -91.000 PHE 101 1.000 -12.455 -14.758 4.948 -99.200 -91.000 PHE 121 1.000 -6.570 -47.451 26.892 -99.200 -91.000 PHE 138 1.000 -7.961 -44.664 20.420 -99.200 -91.000 PHE 142 1.000 -13.473 -45.764 13.538 -99.200 -91.000 TYR 143 0.840 -13.598 -44.297 4.944 -99.200 -91.000 TRP 151 1.040 -19.261 -48.381 26.894 -99.200 -91.000 TRP6 151 1.020 -17.189 -48.880 27.905 -99.200 -91.000 TRP 166 1.040 -16.393 -41.112 15.235 -99.200 -91.000 TRP6 166 1.020 -18.338 -41.251 16.569 -99.200 -91.000 TYR 176 0.840 -13.483 -40.191 9.867 -99.200 -91.000 TYR 189 0.840 -14.118 -49.545 38.305 -99.200 -91.000 HIS 192 0.900 -22.603 -53.451 38.742 -99.200 -91.000 TYR 195 0.840 -16.929 -52.231 35.107 -99.200 -91.000 HIS 201 0.900 -16.128 -49.856 10.697 -99.200 -91.000 PHE 212 1.000 -11.729 -53.029 32.909 -99.200 -91.000