============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 11 1.040 18.470 -14.728 38.985 -99.200 -91.000 TRP6 11 1.020 17.267 -13.661 40.723 -99.200 -91.000 PHE 26 1.000 23.316 -19.148 30.030 -99.200 -91.000 HIS 33 0.900 19.376 -23.441 16.818 -99.200 -91.000 PHE 43 1.000 16.097 -1.934 39.350 -99.200 -91.000 HIS 45 0.900 21.162 -10.542 40.829 -99.200 -91.000 HIS 55 0.900 26.125 -16.333 22.031 -99.200 -91.000 PHE 58 1.000 22.449 -16.533 25.398 -99.200 -91.000 PHE 77 1.000 21.151 -0.477 32.603 -99.200 -91.000 TRP 81 1.040 13.867 -9.263 23.662 -99.200 -91.000 TRP6 81 1.020 12.611 -11.140 22.959 -99.200 -91.000 HIS 86 0.900 7.905 -17.378 35.793 -99.200 -91.000 TRP 91 1.040 2.392 -19.407 42.086 -99.200 -91.000 TRP6 91 1.020 3.484 -19.210 44.175 -99.200 -91.000 TYR 92 0.840 4.121 -14.329 47.736 -99.200 -91.000 TYR 93 0.840 5.497 -11.499 44.003 -99.200 -91.000 PHE 112 1.000 10.768 -2.640 27.772 -99.200 -91.000 TRP 150 1.040 -1.679 -9.881 19.164 -99.200 -91.000 TRP6 150 1.020 -1.715 -11.652 20.740 -99.200 -91.000 TYR 157 0.840 0.711 -24.423 28.625 -99.200 -91.000 TRP 161 1.040 0.393 -28.729 35.725 -99.200 -91.000 TRP6 161 1.020 1.491 -30.140 34.176 -99.200 -91.000 HIS 178 0.900 3.311 -24.505 23.381 -99.200 -91.000 TRP 184 1.040 -8.910 -17.278 22.091 -99.200 -91.000 TRP6 184 1.020 -7.757 -15.210 22.183 -99.200 -91.000 TYR 201 0.840 6.501 -27.131 28.621 -99.200 -91.000 TYR 214 0.840 11.890 -25.911 18.369 -99.200 -91.000 PHE 222 1.000 11.892 -26.079 24.528 -99.200 -91.000 PHE 230 1.000 18.424 -20.804 28.276 -99.200 -91.000