============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 9 0.900 174.544 22.546 65.864 -99.200 -91.000 TYR 20 0.840 155.502 35.147 54.036 -99.200 -91.000 TYR 28 0.840 159.025 39.005 58.392 -99.200 -91.000 HIS 29 0.900 164.358 41.139 51.907 -99.200 -91.000 TYR 31 0.840 162.028 33.436 57.232 -99.200 -91.000 TRP 47 1.040 169.857 16.117 65.235 -99.200 -91.000 TRP6 47 1.020 171.617 17.690 65.107 -99.200 -91.000 PHE 53 1.000 157.654 34.903 59.155 -99.200 -91.000 TYR 57 0.840 154.285 35.298 64.245 -99.200 -91.000 HIS 61 0.900 166.242 39.323 69.782 -99.200 -91.000 HIS 84 0.900 156.043 14.248 78.801 -99.200 -91.000 TRP 88 1.040 156.556 23.457 80.510 -99.200 -91.000 TRP6 88 1.020 157.010 24.149 78.293 -99.200 -91.000 HIS 98 0.900 162.798 34.891 77.720 -99.200 -91.000 TRP 110 1.040 158.387 15.568 73.763 -99.200 -91.000 TRP6 110 1.020 156.765 13.880 74.137 -99.200 -91.000 HIS 154 0.900 152.406 27.741 47.618 -99.200 -91.000 PHE 159 1.000 152.005 23.224 49.667 -99.200 -91.000 HIS 162 0.900 146.071 27.336 48.648 -99.200 -91.000 TRP 194 1.040 139.986 25.538 56.440 -99.200 -91.000 TRP6 194 1.020 141.827 26.325 57.689 -99.200 -91.000 TYR 195 0.840 141.206 29.054 49.436 -99.200 -91.000 HIS 207 0.900 141.933 47.409 57.101 -99.200 -91.000 TRP 230 1.040 141.676 38.511 75.513 -99.200 -91.000 TRP6 230 1.020 142.762 36.475 74.977 -99.200 -91.000 PHE 307 1.000 157.283 18.916 56.515 -99.200 -91.000 HIS 312 0.900 156.974 11.918 63.033 -99.200 -91.000 HIS 320 0.900 135.301 16.419 64.663 -99.200 -91.000 PHE 372 1.000 175.335 25.901 77.222 -99.200 -91.000