============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 2 0.900 98.506 -2.141 45.961 -99.200 -91.000 PHE 3 1.000 97.684 2.405 48.873 -99.200 -91.000 TYR 5 0.840 98.304 26.510 44.182 -99.200 -91.000 PHE 14 1.000 84.758 10.391 50.460 -99.200 -91.000 PHE 34 1.000 75.951 14.278 32.331 -99.200 -91.000 PHE 40 1.000 73.414 7.221 46.841 -99.200 -91.000 PHE 44 1.000 83.598 3.556 44.468 -99.200 -91.000 TYR 54 0.840 76.871 24.260 43.534 -99.200 -91.000 PHE 60 1.000 71.150 15.811 34.924 -99.200 -91.000 PHE 72 1.000 71.891 14.194 29.130 -99.200 -91.000 PHE 89 1.000 82.473 -0.040 40.542 -99.200 -91.000 TYR 92 0.840 80.545 -2.283 35.576 -99.200 -91.000 PHE 94 1.000 86.483 -1.443 28.604 -99.200 -91.000 PHE 97 1.000 87.183 1.958 23.173 -99.200 -91.000 TYR 107 0.840 80.510 16.190 18.186 -99.200 -91.000 TYR 109 0.840 91.090 15.682 11.748 -99.200 -91.000 PHE 115 1.000 78.200 22.304 14.701 -99.200 -91.000 TRP 126 1.040 92.575 3.648 36.208 -99.200 -91.000 TRP6 126 1.020 94.538 3.629 37.522 -99.200 -91.000 HIS 131 0.900 87.569 -5.782 48.334 -99.200 -91.000 TYR 135 0.840 83.588 -8.435 34.317 -99.200 -91.000 HIS 136 0.900 82.613 -4.531 40.430 -99.200 -91.000 PHE 143 1.000 91.329 -1.973 26.550 -99.200 -91.000 PHE 144 1.000 88.809 4.861 27.028 -99.200 -91.000 HIS 146 0.900 95.886 3.040 18.345 -99.200 -91.000 PHE 159 1.000 98.230 20.345 45.708 -99.200 -91.000 PHE 177 1.000 90.549 13.326 37.650 -99.200 -91.000 PHE 178 1.000 90.165 5.948 33.099 -99.200 -91.000 TYR 184 0.840 86.966 7.288 44.715 -99.200 -91.000 TYR 196 0.840 94.543 22.853 43.895 -99.200 -91.000 TRP 217 1.040 99.589 5.193 34.782 -99.200 -91.000 TRP6 217 1.020 101.412 4.679 33.354 -99.200 -91.000 HIS 222 0.900 101.000 7.280 46.423 -99.200 -91.000 TRP 250 1.040 103.525 9.861 25.997 -99.200 -91.000 TRP6 250 1.020 105.750 9.360 26.591 -99.200 -91.000 HIS 269 0.900 101.058 -0.773 32.419 -99.200 -91.000 PHE 277 1.000 100.837 5.834 27.431 -99.200 -91.000 PHE 290 1.000 119.911 2.423 20.178 -99.200 -91.000 TYR 303 0.840 101.849 -12.003 36.523 -99.200 -91.000 PHE 307 1.000 93.088 -6.864 39.345 -99.200 -91.000 HIS 309 0.900 87.177 -12.997 45.172 -99.200 -91.000 PHE 311 1.000 93.851 -17.679 41.823 -99.200 -91.000 PHE 314 1.000 99.603 -15.329 45.529 -99.200 -91.000 TYR 315 0.840 96.782 -9.028 37.256 -99.200 -91.000 TRP 320 1.040 108.053 -7.533 48.604 -99.200 -91.000 TRP6 320 1.020 110.174 -7.098 49.578 -99.200 -91.000 TYR 323 0.840 114.780 -4.765 45.805 -99.200 -91.000 TYR 332 0.840 121.149 -6.161 30.055 -99.200 -91.000