============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 29 1.000 36.406 59.684 -10.057 -99.200 -91.000 TYR 32 0.840 32.777 61.828 -2.187 -99.200 -91.000 TRP 33 1.040 35.714 54.361 -0.111 -99.200 -91.000 TRP6 33 1.020 34.727 53.036 1.550 -99.200 -91.000 TRP 36 1.040 32.589 50.181 -12.999 -99.200 -91.000 TRP6 36 1.020 31.360 51.366 -14.622 -99.200 -91.000 TRP 47 1.040 30.270 45.786 -5.202 -99.200 -91.000 TRP6 47 1.020 31.937 44.225 -4.575 -99.200 -91.000 TYR 58 0.840 44.782 55.641 -6.866 -99.200 -91.000 TYR 61 0.840 38.813 46.014 -1.485 -99.200 -91.000 TYR 62 0.840 38.566 43.521 -9.406 -99.200 -91.000 PHE 70 1.000 33.668 42.166 -15.511 -99.200 -91.000 TYR 82 0.840 39.068 55.085 -17.609 -99.200 -91.000 TYR 95 0.840 28.258 45.454 -16.832 -99.200 -91.000 TYR 96 0.840 22.011 50.967 -13.333 -99.200 -91.000 PHE 98 1.000 25.909 51.801 -4.851 -99.200 -91.000 TYR 103 0.840 25.265 61.162 -4.499 -99.200 -91.000 TRP 104 1.040 22.149 53.470 -7.221 -99.200 -91.000 TRP6 104 1.020 22.592 51.229 -7.837 -99.200 -91.000 TYR 123 0.840 8.203 49.192 -40.608 -99.200 -91.000 TYR 140 0.840 14.888 46.906 -31.118 -99.200 -91.000 PHE 141 1.000 20.553 40.688 -30.424 -99.200 -91.000 TRP 149 1.040 5.935 59.240 -28.832 -99.200 -91.000 TRP6 149 1.020 5.071 58.780 -30.975 -99.200 -91.000 HIS 159 0.900 -0.010 54.168 -22.061 -99.200 -91.000 PHE 161 1.000 2.137 49.402 -25.421 -99.200 -91.000 TYR 170 0.840 15.345 42.182 -28.128 -99.200 -91.000 TRP 183 1.040 -1.322 63.758 -36.349 -99.200 -91.000 TRP6 183 1.020 -2.868 62.188 -37.218 -99.200 -91.000 HIS 194 0.900 19.938 49.325 -31.929 -99.200 -91.000