============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 36 1.000 23.308 111.155 97.534 -99.200 -91.000 TRP 39 1.040 20.384 100.466 88.659 -99.200 -91.000 TRP6 39 1.020 21.536 99.588 86.785 -99.200 -91.000 TYR 53 0.840 15.018 106.141 96.834 -99.200 -91.000 PHE 66 1.000 11.426 97.534 86.535 -99.200 -91.000 PHE 75 1.000 26.755 100.684 92.738 -99.200 -91.000 TYR 90 0.840 15.708 98.728 81.724 -99.200 -91.000 TYR 91 0.840 20.266 105.907 79.114 -99.200 -91.000 TRP 93 1.040 22.692 110.942 86.923 -99.200 -91.000 TRP6 93 1.020 20.740 112.261 87.033 -99.200 -91.000 HIS 97 0.900 32.785 110.142 93.930 -99.200 -91.000 PHE 98 1.000 30.849 119.523 89.912 -99.200 -91.000 TYR 100 0.840 26.600 115.471 90.904 -99.200 -91.000 PHE 102 1.000 22.495 110.825 83.259 -99.200 -91.000 PHE 122 1.000 -0.223 102.970 51.084 -99.200 -91.000 PHE 139 1.000 3.432 103.413 55.167 -99.200 -91.000 PHE 143 1.000 9.176 94.235 60.502 -99.200 -91.000 TYR 144 0.840 10.704 89.512 67.801 -99.200 -91.000 TRP 152 1.040 11.481 100.122 47.055 -99.200 -91.000 TRP6 152 1.020 9.200 100.635 46.643 -99.200 -91.000 TRP 167 1.040 14.320 99.628 59.601 -99.200 -91.000 TRP6 167 1.020 15.951 101.106 58.727 -99.200 -91.000 TYR 177 0.840 11.729 95.326 66.623 -99.200 -91.000 TYR 190 0.840 5.138 107.046 39.019 -99.200 -91.000 HIS 193 0.900 11.139 102.626 33.738 -99.200 -91.000 TYR 196 0.840 6.979 102.483 39.261 -99.200 -91.000 HIS 202 0.900 10.032 88.620 59.395 -99.200 -91.000 PHE 213 1.000 2.117 101.424 41.882 -99.200 -91.000