============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 11 0.840 31.277 68.302 12.974 -99.200 -91.000 TRP 15 1.040 42.611 75.887 20.410 -99.200 -91.000 TRP6 15 1.020 42.632 74.996 22.608 -99.200 -91.000 PHE 36 1.000 30.347 82.941 18.422 -99.200 -91.000 TRP 38 1.040 23.052 79.663 17.974 -99.200 -91.000 TRP6 38 1.020 23.767 77.833 16.660 -99.200 -91.000 PHE 51 1.000 40.069 76.262 28.112 -99.200 -91.000 PHE 54 1.000 35.491 82.178 22.435 -99.200 -91.000 TYR 57 0.840 29.801 85.615 22.100 -99.200 -91.000 PHE 86 1.000 33.125 74.882 35.567 -99.200 -91.000 PHE 88 1.000 34.302 78.520 30.825 -99.200 -91.000 HIS 95 0.900 46.225 76.856 33.712 -99.200 -91.000 PHE 106 1.000 28.539 69.414 22.692 -99.200 -91.000 TYR 110 0.840 24.112 80.874 26.336 -99.200 -91.000 HIS 115 0.900 20.667 83.476 20.405 -99.200 -91.000 TRP 121 1.040 26.600 66.109 28.199 -99.200 -91.000 TRP6 121 1.020 27.334 65.108 26.186 -99.200 -91.000 TRP 130 1.040 12.777 67.501 24.080 -99.200 -91.000 TRP6 130 1.020 14.517 66.227 23.090 -99.200 -91.000 HIS 131 0.900 5.340 66.360 23.763 -99.200 -91.000 PHE 140 1.000 28.759 65.926 19.877 -99.200 -91.000 HIS 161 0.900 32.967 62.819 18.330 -99.200 -91.000 HIS 174 0.900 6.167 63.627 20.690 -99.200 -91.000 TRP 175 1.040 12.408 68.398 19.155 -99.200 -91.000 TRP6 175 1.020 13.533 68.359 17.081 -99.200 -91.000 HIS 180 0.900 17.723 49.122 17.559 -99.200 -91.000 TRP 184 1.040 26.259 58.690 27.858 -99.200 -91.000 TRP6 184 1.020 24.951 59.763 29.518 -99.200 -91.000