============================================================================= 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 23.225 -51.812 6.473 -99.200 -91.000 HIS 2 0.900 22.888 -54.315 14.736 -99.200 -91.000 TYR 30 0.840 -16.636 -47.452 4.511 -99.200 -91.000 TRP 36 1.040 -25.711 -51.621 -4.778 -99.200 -91.000 TRP6 36 1.020 -27.526 -50.210 -4.201 -99.200 -91.000 TYR 38 0.840 -20.346 -42.086 -7.750 -99.200 -91.000 HIS 40 0.900 -27.792 -50.203 -7.950 -99.200 -91.000 PHE 48 1.000 -20.358 -39.776 3.904 -99.200 -91.000 PHE 50 1.000 -13.407 -41.761 -5.104 -99.200 -91.000 HIS 52 0.900 -15.418 -43.085 5.913 -99.200 -91.000 TYR 57 0.840 -3.767 -45.828 0.431 -99.200 -91.000 HIS 59 0.900 -8.285 -42.337 9.131 -99.200 -91.000 PHE 66 1.000 3.831 -45.055 16.282 -99.200 -91.000 HIS 84 0.900 -20.413 -58.595 -5.928 -99.200 -91.000 PHE 86 1.000 -22.846 -53.477 -0.560 -99.200 -91.000 PHE 93 1.000 -24.690 -44.056 3.927 -99.200 -91.000 TYR 97 0.840 -23.881 -46.480 13.910 -99.200 -91.000 HIS 99 0.900 -15.837 -51.901 8.328 -99.200 -91.000 HIS 102 0.900 -14.345 -54.945 13.362 -99.200 -91.000 HIS 113 0.900 -1.230 -55.317 24.563 -99.200 -91.000 HIS 120 0.900 1.338 -44.522 29.165 -99.200 -91.000 PHE 123 1.000 -3.310 -43.169 26.054 -99.200 -91.000 PHE 125 1.000 0.622 -42.897 15.411 -99.200 -91.000 TRP 128 1.040 -3.129 -39.600 14.702 -99.200 -91.000 TRP6 128 1.020 -4.184 -40.627 12.839 -99.200 -91.000 TYR 129 0.840 -6.806 -45.023 13.689 -99.200 -91.000 HIS 134 0.900 -17.022 -40.495 19.310 -99.200 -91.000 PHE 140 1.000 -20.019 -43.902 7.401 -99.200 -91.000 HIS 155 0.900 -40.636 -36.007 -3.691 -99.200 -91.000 TYR 158 0.840 -33.671 -34.799 -5.564 -99.200 -91.000 TYR 163 0.840 -28.510 -34.436 5.698 -99.200 -91.000