============================================================================= 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. TYR 3 0.840 111.639 83.312 41.451 -99.200 -91.000 PHE 9 1.000 102.614 73.244 47.847 -99.200 -91.000 PHE 19 1.000 103.269 83.262 53.252 -99.200 -91.000 HIS 25 0.900 114.649 99.407 46.483 -99.200 -91.000 TYR 43 0.840 115.664 85.821 52.584 -99.200 -91.000 TRP 45 1.040 109.552 86.096 43.803 -99.200 -91.000 TRP6 45 1.020 108.664 84.227 44.905 -99.200 -91.000 PHE 46 1.000 109.812 84.156 52.158 -99.200 -91.000 TYR 50 0.840 104.739 84.688 49.143 -99.200 -91.000 PHE 56 1.000 100.995 72.442 55.805 -99.200 -91.000 TYR 63 0.840 110.778 94.849 57.673 -99.200 -91.000 PHE 65 1.000 102.749 92.042 59.922 -99.200 -91.000 HIS 67 0.900 109.242 92.649 64.121 -99.200 -91.000 TYR 77 0.840 121.438 80.765 65.455 -99.200 -91.000 HIS 80 0.900 123.916 85.997 72.700 -99.200 -91.000 TYR 81 0.840 123.395 80.288 70.119 -99.200 -91.000 TYR 95 0.840 118.548 71.557 71.064 -99.200 -91.000 PHE 96 1.000 118.471 72.517 62.405 -99.200 -91.000 TYR 98 0.840 117.328 73.856 57.703 -99.200 -91.000 TRP 114 1.040 126.178 78.219 63.188 -99.200 -91.000 TRP6 114 1.020 128.296 78.623 62.218 -99.200 -91.000 TYR 120 0.840 129.323 76.425 56.098 -99.200 -91.000 PHE 128 1.000 113.927 81.402 50.592 -99.200 -91.000 PHE 131 1.000 115.280 75.697 53.698 -99.200 -91.000 PHE 132 1.000 108.861 79.079 51.151 -99.200 -91.000 TYR 133 0.840 107.870 73.806 44.555 -99.200 -91.000 TRP 143 1.040 102.437 68.512 59.746 -99.200 -91.000 TRP6 143 1.020 101.678 67.679 61.812 -99.200 -91.000 TRP 149 1.040 94.708 60.194 42.342 -99.200 -91.000 TRP6 149 1.020 93.512 62.184 41.892 -99.200 -91.000