============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 12 1.040 16.030 0.156 54.139 -99.200 -91.000 TRP6 12 1.020 14.717 1.702 52.922 -99.200 -91.000 TRP 14 1.040 20.883 4.015 51.540 -99.200 -91.000 TRP6 14 1.020 19.492 3.798 49.638 -99.200 -91.000 HIS 21 0.900 39.680 -2.137 70.135 -99.200 -91.000 TYR 24 0.840 30.323 -5.793 71.787 -99.200 -91.000 TRP 25 1.040 36.510 -3.970 66.334 -99.200 -91.000 TRP6 25 1.020 37.397 -1.786 66.124 -99.200 -91.000 HIS 27 0.900 25.021 0.927 65.438 -99.200 -91.000 PHE 28 1.000 30.473 5.217 67.003 -99.200 -91.000 HIS 35 0.900 33.470 8.323 45.703 -99.200 -91.000 TRP 38 1.040 35.068 10.332 49.961 -99.200 -91.000 TRP6 38 1.020 36.085 11.777 51.533 -99.200 -91.000 HIS 44 0.900 24.844 13.288 67.193 -99.200 -91.000 HIS 64 0.900 19.768 -10.729 61.263 -99.200 -91.000 TYR 66 0.840 27.383 -6.097 67.331 -99.200 -91.000 TYR 67 0.840 25.331 -14.912 61.347 -99.200 -91.000 HIS 80 0.900 29.905 22.853 58.065 -99.200 -91.000 PHE 83 1.000 28.700 18.950 66.041 -99.200 -91.000 TYR 84 0.840 31.401 22.816 71.400 -99.200 -91.000 HIS 106 0.900 23.148 -7.366 50.649 -99.200 -91.000 HIS 108 0.900 22.802 0.662 45.327 -99.200 -91.000 PHE 119 1.000 14.150 15.801 50.137 -99.200 -91.000 TRP 126 1.040 10.055 4.386 53.514 -99.200 -91.000 TRP6 126 1.020 8.815 2.616 54.453 -99.200 -91.000 TRP 130 1.040 21.555 -2.620 62.579 -99.200 -91.000 TRP6 130 1.020 22.831 -1.690 60.817 -99.200 -91.000 PHE 141 1.000 22.463 -7.265 69.042 -99.200 -91.000 HIS 154 0.900 5.108 26.947 59.397 -99.200 -91.000 TYR 160 0.840 11.473 19.758 69.263 -99.200 -91.000 HIS 161 0.900 9.645 27.831 70.267 -99.200 -91.000 TYR 165 0.840 9.866 27.099 82.433 -99.200 -91.000 TRP 203 1.040 14.451 4.377 47.383 -99.200 -91.000 TRP6 203 1.020 12.845 4.764 49.076 -99.200 -91.000 TRP 211 1.040 18.752 18.324 67.252 -99.200 -91.000 TRP6 211 1.020 17.397 19.574 68.741 -99.200 -91.000 TYR 224 0.840 15.294 12.590 60.705 -99.200 -91.000 TYR 229 0.840 22.098 25.656 55.638 -99.200 -91.000 TYR 230 0.840 25.090 21.967 56.755 -99.200 -91.000 TRP 233 1.040 31.851 20.817 54.798 -99.200 -91.000 TRP6 233 1.020 31.392 18.640 55.599 -99.200 -91.000 HIS 235 0.900 28.413 17.686 45.702 -99.200 -91.000 HIS 236 0.900 36.769 22.052 49.723 -99.200 -91.000 TYR 237 0.840 36.189 18.343 52.790 -99.200 -91.000