============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.215 7.316 18.436 -99.200 -91.000 TRP6 14 1.020 7.030 9.248 19.128 -99.200 -91.000 PHE 19 1.000 12.858 -4.138 2.856 -99.200 -91.000 TRP 37 1.040 22.957 11.425 14.184 -99.200 -91.000 TRP6 37 1.020 24.829 9.996 14.218 -99.200 -91.000 HIS 43 0.900 19.215 -7.950 19.000 -99.200 -91.000 TYR 47 0.840 23.736 -13.166 18.649 -99.200 -91.000 TRP 49 1.040 21.798 -16.584 16.238 -99.200 -91.000 TRP6 49 1.020 19.774 -15.476 16.671 -99.200 -91.000 PHE 53 1.000 22.356 -8.055 8.148 -99.200 -91.000 HIS 65 0.900 -0.738 1.594 10.098 -99.200 -91.000 TYR 70 0.840 7.279 2.708 -2.181 -99.200 -91.000 TYR 84 0.840 29.121 6.449 13.592 -99.200 -91.000 HIS 86 0.900 28.830 0.810 24.375 -99.200 -91.000 TYR 89 0.840 26.384 -6.183 20.858 -99.200 -91.000 TRP 91 1.040 29.811 -9.920 20.051 -99.200 -91.000 TRP6 91 1.020 30.724 -12.066 19.664 -99.200 -91.000 PHE 110 1.000 11.926 15.919 11.600 -99.200 -91.000 TYR 113 0.840 0.927 10.282 7.350 -99.200 -91.000 HIS 115 0.900 7.817 15.277 15.484 -99.200 -91.000 TYR 132 0.840 5.603 5.665 37.481 -99.200 -91.000 TRP 139 1.040 5.670 -2.785 10.847 -99.200 -91.000 TRP6 139 1.020 7.107 -0.923 10.932 -99.200 -91.000 PHE 177 1.000 13.332 -0.769 30.556 -99.200 -91.000 TYR 181 0.840 0.134 -5.970 31.782 -99.200 -91.000 PHE 200 1.000 9.178 0.278 28.069 -99.200 -91.000 PHE 206 1.000 6.724 14.843 36.110 -99.200 -91.000 TRP 210 1.040 4.123 10.148 23.119 -99.200 -91.000 TRP6 210 1.020 3.424 8.101 24.057 -99.200 -91.000 TYR 211 0.840 11.167 12.945 27.403 -99.200 -91.000 TRP 218 1.040 18.155 -9.978 26.847 -99.200 -91.000 TRP6 218 1.020 17.771 -11.688 28.426 -99.200 -91.000 TYR 228 0.840 8.254 -10.726 34.228 -99.200 -91.000 PHE 230 1.000 15.353 -9.451 31.301 -99.200 -91.000 TYR 231 0.840 11.543 -3.966 26.572 -99.200 -91.000 HIS 233 0.900 18.389 2.722 32.281 -99.200 -91.000 PHE 235 1.000 20.313 9.036 32.341 -99.200 -91.000 TRP 240 1.040 28.586 4.792 22.324 -99.200 -91.000 TRP6 240 1.020 26.743 4.126 20.995 -99.200 -91.000 PHE 248 1.000 32.614 9.448 14.560 -99.200 -91.000