============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 12 0.900 7.708 -9.569 6.249 -99.200 -91.000 TRP 14 1.040 2.801 -13.423 3.832 -99.200 -91.000 TRP6 14 1.020 3.921 -12.467 5.654 -99.200 -91.000 HIS 25 0.900 -6.325 5.097 9.274 -99.200 -91.000 TRP 35 1.040 -13.009 -11.559 2.100 -99.200 -91.000 TRP6 35 1.020 -14.452 -10.108 3.259 -99.200 -91.000 HIS 41 0.900 -5.952 0.493 16.291 -99.200 -91.000 TYR 47 0.840 -10.691 0.673 5.160 -99.200 -91.000 HIS 50 0.900 2.133 -0.632 -1.125 -99.200 -91.000 PHE 70 1.000 -18.536 -6.249 6.141 -99.200 -91.000 HIS 72 0.900 -14.939 -10.549 17.310 -99.200 -91.000 TYR 75 0.840 -12.569 -2.039 18.204 -99.200 -91.000 HIS 80 0.900 -8.619 0.657 21.286 -99.200 -91.000 TRP 120 1.040 5.894 0.146 4.428 -99.200 -91.000 TRP6 120 1.020 4.305 -1.434 3.757 -99.200 -91.000 PHE 130 1.000 4.495 8.004 10.186 -99.200 -91.000 TYR 151 0.840 0.901 -3.272 28.656 -99.200 -91.000 TRP 192 1.040 -3.602 -2.723 23.440 -99.200 -91.000 TRP6 192 1.020 -2.599 -2.444 25.562 -99.200 -91.000 PHE 195 1.000 2.545 9.124 22.389 -99.200 -91.000 TYR 206 0.840 2.189 -7.770 18.475 -99.200 -91.000 PHE 212 1.000 -10.187 -12.737 18.059 -99.200 -91.000 TRP 215 1.040 -15.796 -12.458 13.250 -99.200 -91.000 TRP6 215 1.020 -14.207 -11.011 12.288 -99.200 -91.000 HIS 223 0.900 -20.295 -9.564 5.084 -99.200 -91.000