============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 14 1.040 33.280 -11.552 20.685 -99.200 -91.000 TRP6 14 1.020 32.254 -9.428 20.897 -99.200 -91.000 HIS 20 0.900 42.020 -4.886 23.920 -99.200 -91.000 TYR 24 0.840 37.110 -3.054 21.984 -99.200 -91.000 PHE 33 1.000 23.568 3.360 30.262 -99.200 -91.000 PHE 36 1.000 20.750 6.375 20.646 -99.200 -91.000 TYR 42 0.840 14.484 0.018 29.993 -99.200 -91.000 PHE 43 1.000 21.078 -0.472 32.745 -99.200 -91.000 HIS 45 0.900 17.481 3.195 42.889 -99.200 -91.000 PHE 46 1.000 23.681 -0.495 37.071 -99.200 -91.000 HIS 50 0.900 34.765 8.232 30.919 -99.200 -91.000 HIS 58 0.900 24.755 -4.259 32.715 -99.200 -91.000 HIS 72 0.900 27.428 -21.658 23.183 -99.200 -91.000 HIS 87 0.900 18.289 -8.578 29.020 -99.200 -91.000 HIS 89 0.900 7.627 -12.986 32.998 -99.200 -91.000 PHE 98 1.000 16.825 -5.923 23.972 -99.200 -91.000 HIS 103 0.900 24.209 3.707 15.890 -99.200 -91.000 HIS 112 0.900 38.064 0.827 20.966 -99.200 -91.000 PHE 117 1.000 32.138 -2.031 11.706 -99.200 -91.000 HIS 122 0.900 28.035 -1.545 9.310 -99.200 -91.000 PHE 128 1.000 26.575 -11.811 17.510 -99.200 -91.000 TYR 140 0.840 9.195 -7.943 25.082 -99.200 -91.000