============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 12 1.000 22.513 1.253 28.699 -99.200 -91.000 TRP 14 1.040 17.876 3.249 24.741 -99.200 -91.000 TRP6 14 1.020 18.743 5.253 25.605 -99.200 -91.000 PHE 25 1.000 10.759 -13.737 22.678 -99.200 -91.000 TRP 35 1.040 3.909 2.230 16.398 -99.200 -91.000 TRP6 35 1.020 3.547 0.347 15.045 -99.200 -91.000 HIS 41 0.900 16.905 -13.178 15.316 -99.200 -91.000 HIS 56 0.900 18.610 -2.515 37.259 -99.200 -91.000 HIS 63 0.900 7.001 -1.600 43.559 -99.200 -91.000 HIS 76 0.900 12.342 -4.242 5.081 -99.200 -91.000 HIS 77 0.900 9.339 -3.800 2.444 -99.200 -91.000 TYR 79 0.840 13.291 -12.052 9.008 -99.200 -91.000 TYR 85 0.840 18.924 -15.226 11.385 -99.200 -91.000 HIS 87 0.900 16.448 -6.689 3.395 -99.200 -91.000 TYR 103 0.840 13.180 4.733 36.855 -99.200 -91.000 TYR 114 0.840 23.867 14.455 10.519 -99.200 -91.000 PHE 118 1.000 24.368 11.104 14.852 -99.200 -91.000 PHE 121 1.000 29.812 10.643 14.919 -99.200 -91.000 TYR 125 0.840 28.379 2.617 25.630 -99.200 -91.000 TRP 129 1.040 17.524 -7.894 31.485 -99.200 -91.000 TRP6 129 1.020 16.365 -6.198 30.282 -99.200 -91.000 PHE 133 1.000 29.293 -16.872 32.100 -99.200 -91.000 HIS 134 0.900 29.131 -20.893 22.663 -99.200 -91.000 TYR 144 0.840 27.096 -0.409 30.603 -99.200 -91.000 PHE 161 1.000 26.932 -19.262 8.979 -99.200 -91.000 TYR 164 0.840 22.908 -10.905 2.358 -99.200 -91.000 PHE 168 1.000 26.390 -2.127 12.943 -99.200 -91.000 PHE 172 1.000 35.850 -4.808 22.762 -99.200 -91.000 HIS 173 0.900 40.016 -6.379 15.473 -99.200 -91.000 HIS 188 0.900 25.808 -0.335 17.592 -99.200 -91.000 PHE 197 1.000 20.661 11.123 17.704 -99.200 -91.000 TRP 204 1.040 23.514 -12.503 11.650 -99.200 -91.000 TRP6 204 1.020 25.404 -13.671 10.825 -99.200 -91.000 TYR 214 0.840 35.447 -9.333 14.607 -99.200 -91.000 TYR 217 0.840 25.825 -5.551 16.740 -99.200 -91.000 TYR 223 0.840 16.675 -2.329 7.066 -99.200 -91.000 TRP 226 1.040 9.526 -0.812 7.005 -99.200 -91.000 TRP6 226 1.020 10.128 -1.930 8.996 -99.200 -91.000