============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 1 0.900 144.442 -3.243 -55.800 -99.200 -91.000 HIS 2 0.900 151.131 2.051 -57.201 -99.200 -91.000 TYR 30 0.840 165.209 -22.389 -27.023 -99.200 -91.000 TRP 36 1.040 166.868 -35.632 -24.763 -99.200 -91.000 TRP6 36 1.020 167.622 -35.583 -22.519 -99.200 -91.000 TYR 38 0.840 157.074 -31.528 -20.826 -99.200 -91.000 HIS 40 0.900 165.416 -38.516 -22.462 -99.200 -91.000 PHE 48 1.000 163.179 -21.660 -18.928 -99.200 -91.000 PHE 50 1.000 154.383 -25.927 -24.961 -99.200 -91.000 HIS 52 0.900 163.216 -19.020 -24.675 -99.200 -91.000 TYR 57 0.840 154.233 -18.595 -34.211 -99.200 -91.000 HIS 59 0.900 160.425 -12.693 -28.560 -99.200 -91.000 PHE 66 1.000 158.914 -2.267 -38.303 -99.200 -91.000 HIS 84 0.900 166.622 -36.650 -33.509 -99.200 -91.000 PHE 86 1.000 168.689 -31.660 -27.899 -99.200 -91.000 PHE 93 1.000 168.013 -25.373 -19.560 -99.200 -91.000 TYR 97 0.840 174.962 -18.090 -21.855 -99.200 -91.000 HIS 99 0.900 169.108 -20.741 -30.863 -99.200 -91.000 HIS 102 0.900 173.459 -17.266 -34.504 -99.200 -91.000 HIS 113 0.900 172.135 -2.481 -43.128 -99.200 -91.000 HIS 120 0.900 168.064 6.566 -36.207 -99.200 -91.000 PHE 123 1.000 168.337 2.532 -32.360 -99.200 -91.000 PHE 125 1.000 159.051 -3.640 -34.604 -99.200 -91.000 TRP 128 1.040 159.447 -4.930 -29.838 -99.200 -91.000 TRP6 128 1.020 159.492 -7.296 -29.982 -99.200 -91.000 TYR 129 0.840 163.811 -9.539 -31.705 -99.200 -91.000 HIS 134 0.900 170.633 -7.856 -21.022 -99.200 -91.000 PHE 140 1.000 167.169 -20.250 -22.282 -99.200 -91.000 HIS 155 0.900 168.923 -37.822 -3.769 -99.200 -91.000 TYR 158 0.840 163.237 -33.845 -6.886 -99.200 -91.000 TYR 163 0.840 166.990 -22.269 -9.730 -99.200 -91.000