============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 14 0.900 51.990 61.011 -1.177 -99.200 -91.000 TYR 23 0.840 52.816 60.943 -8.065 -99.200 -91.000 TYR 33 0.840 66.466 63.874 -2.430 -99.200 -91.000 PHE 36 1.000 75.473 54.389 -6.291 -99.200 -91.000 HIS 52 0.900 81.592 51.180 5.223 -99.200 -91.000 HIS 59 0.900 74.963 48.558 11.031 -99.200 -91.000 PHE 63 1.000 67.525 61.422 9.682 -99.200 -91.000 HIS 65 0.900 62.170 61.240 11.661 -99.200 -91.000 PHE 66 1.000 64.125 57.031 12.530 -99.200 -91.000 PHE 105 1.000 75.274 67.585 -14.008 -99.200 -91.000 HIS 106 0.900 83.523 67.252 -16.830 -99.200 -91.000 TYR 118 0.840 68.401 53.292 -7.504 -99.200 -91.000 PHE 121 1.000 72.201 52.204 -0.977 -99.200 -91.000 HIS 123 0.900 69.513 41.861 -3.114 -99.200 -91.000 PHE 124 1.000 74.359 43.907 -1.059 -99.200 -91.000 TRP 154 1.040 49.845 59.528 9.155 -99.200 -91.000 TRP6 154 1.020 49.359 57.466 10.195 -99.200 -91.000 TYR 157 0.840 55.223 53.101 11.867 -99.200 -91.000 PHE 166 1.000 70.094 54.783 -12.226 -99.200 -91.000 PHE 174 1.000 60.641 64.867 2.685 -99.200 -91.000 PHE 180 1.000 69.025 66.463 12.998 -99.200 -91.000 HIS 182 0.900 71.964 64.498 9.920 -99.200 -91.000 PHE 184 1.000 75.799 61.014 7.417 -99.200 -91.000