============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 4 0.900 -27.841 6.858 32.550 -99.200 -91.000 TYR 9 0.840 -25.975 5.077 35.633 -99.200 -91.000 HIS 11 0.900 -25.280 -7.711 34.303 -99.200 -91.000 TRP 22 1.040 -11.970 -14.478 29.048 -99.200 -91.000 TRP6 22 1.020 -9.745 -13.807 29.222 -99.200 -91.000 PHE 31 1.000 -4.487 -19.202 31.108 -99.200 -91.000 PHE 39 1.000 -9.495 -9.419 32.622 -99.200 -91.000 TYR 49 0.840 -23.232 -11.741 37.211 -99.200 -91.000 HIS 61 0.900 -7.787 -24.091 30.562 -99.200 -91.000 TRP 79 1.040 -10.751 -2.445 49.354 -99.200 -91.000 TRP6 79 1.020 -10.629 -0.702 47.801 -99.200 -91.000 HIS 83 0.900 -9.751 1.060 50.908 -99.200 -91.000 TRP 115 1.040 -20.467 -0.296 46.967 -99.200 -91.000 TRP6 115 1.020 -20.356 -2.605 47.030 -99.200 -91.000 PHE 117 1.000 -22.216 3.607 36.332 -99.200 -91.000 TYR 129 0.840 -12.640 -9.341 40.440 -99.200 -91.000 TRP 132 1.040 -7.467 -6.032 43.098 -99.200 -91.000 TRP6 132 1.020 -9.139 -6.598 44.669 -99.200 -91.000 TYR 144 0.840 -0.698 -21.959 32.417 -99.200 -91.000