============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 10 1.000 44.175 9.012 1.828 -99.200 -91.000 TYR 13 0.840 40.355 8.716 10.445 -99.200 -91.000 TYR 14 0.840 34.944 16.692 6.299 -99.200 -91.000 TYR 15 0.840 40.421 15.446 2.357 -99.200 -91.000 TRP 18 1.040 37.195 28.100 5.791 -99.200 -91.000 TRP6 18 1.020 37.652 29.796 7.378 -99.200 -91.000 TYR 29 0.840 51.104 12.184 5.575 -99.200 -91.000 PHE 34 1.000 45.756 17.103 10.451 -99.200 -91.000 TRP 38 1.040 49.600 28.552 10.890 -99.200 -91.000 TRP6 38 1.020 49.900 26.541 12.105 -99.200 -91.000 PHE 46 1.000 46.252 24.068 8.030 -99.200 -91.000 TYR 52 0.840 30.319 11.034 14.578 -99.200 -91.000 TRP 56 1.040 24.866 15.865 23.044 -99.200 -91.000 TRP6 56 1.020 25.506 14.878 25.097 -99.200 -91.000 TYR 66 0.840 45.514 14.429 21.274 -99.200 -91.000 TYR 70 0.840 49.966 23.133 18.510 -99.200 -91.000 TYR 77 0.840 42.539 28.598 19.423 -99.200 -91.000 TYR 81 0.840 36.312 23.250 14.333 -99.200 -91.000 TRP 83 1.040 31.426 23.461 12.553 -99.200 -91.000 TRP6 83 1.020 30.547 25.651 12.690 -99.200 -91.000 PHE 91 1.000 31.583 19.910 18.793 -99.200 -91.000 TYR 92 0.840 37.325 26.006 18.585 -99.200 -91.000 TRP 97 1.040 47.672 27.732 25.118 -99.200 -91.000 TRP6 97 1.020 46.835 26.176 26.692 -99.200 -91.000 TRP 100 1.040 44.809 34.672 24.359 -99.200 -91.000 TRP6 100 1.020 42.822 34.163 23.176 -99.200 -91.000 TYR 118 0.840 40.315 19.170 29.267 -99.200 -91.000 TYR 121 0.840 36.938 29.525 29.279 -99.200 -91.000 PHE 137 1.000 29.171 30.057 14.188 -99.200 -91.000 TYR 140 0.840 27.471 25.202 23.336 -99.200 -91.000 TRP 141 1.040 35.299 28.295 23.019 -99.200 -91.000 TRP6 141 1.020 37.209 28.459 21.634 -99.200 -91.000 HIS 158 0.900 36.158 17.589 27.393 -99.200 -91.000 PHE 159 1.000 30.068 16.317 22.166 -99.200 -91.000 TRP 162 1.040 31.405 21.583 26.742 -99.200 -91.000 TRP6 162 1.020 31.792 21.012 24.478 -99.200 -91.000 TYR 182 0.840 42.999 35.751 14.718 -99.200 -91.000 PHE 195 1.000 37.481 10.341 15.427 -99.200 -91.000