============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 7 1.000 -26.041 -37.774 23.117 -99.200 -91.000 PHE 13 1.000 -26.195 -30.520 31.724 -99.200 -91.000 PHE 16 1.000 -21.811 -35.633 40.584 -99.200 -91.000 PHE 26 1.000 -13.133 -24.571 42.537 -99.200 -91.000 PHE 36 1.000 -34.509 -34.195 18.076 -99.200 -91.000 HIS 38 0.900 -30.233 -32.725 22.751 -99.200 -91.000 PHE 41 1.000 -26.225 -27.079 26.745 -99.200 -91.000 HIS 44 0.900 -31.243 -24.677 36.445 -99.200 -91.000 TRP 56 1.040 -19.908 -18.590 40.481 -99.200 -91.000 TRP6 56 1.020 -20.482 -20.874 40.286 -99.200 -91.000 HIS 61 0.900 -13.297 -23.612 30.388 -99.200 -91.000 PHE 66 1.000 -22.168 -34.410 26.446 -99.200 -91.000 PHE 67 1.000 -26.736 -32.526 26.674 -99.200 -91.000 TYR 70 0.840 -21.136 -30.997 16.012 -99.200 -91.000 HIS 76 0.900 -22.824 -33.570 18.221 -99.200 -91.000 PHE 77 1.000 -14.479 -37.536 18.973 -99.200 -91.000 PHE 82 1.000 -21.599 -39.828 25.632 -99.200 -91.000 PHE 94 1.000 -8.268 -17.372 31.802 -99.200 -91.000 HIS 103 0.900 -6.350 -33.520 33.486 -99.200 -91.000 HIS 104 0.900 -13.812 -31.146 31.221 -99.200 -91.000 TYR 106 0.840 -18.027 -34.850 29.542 -99.200 -91.000 PHE 124 1.000 -6.236 -18.439 37.115 -99.200 -91.000 HIS 144 0.900 -11.043 -21.384 14.638 -99.200 -91.000 PHE 146 1.000 -8.185 -26.858 13.661 -99.200 -91.000 HIS 148 0.900 -4.545 -33.912 18.496 -99.200 -91.000 PHE 158 1.000 -7.716 -17.152 19.129 -99.200 -91.000 PHE 161 1.000 -14.033 -15.429 30.344 -99.200 -91.000 HIS 172 0.900 -4.030 -17.096 23.561 -99.200 -91.000 PHE 173 1.000 -11.673 -24.374 25.098 -99.200 -91.000 PHE 179 1.000 -14.912 -44.401 21.220 -99.200 -91.000 HIS 191 0.900 -16.455 -29.793 13.238 -99.200 -91.000 PHE 192 1.000 -14.389 -22.785 11.460 -99.200 -91.000 HIS 209 0.900 -28.259 -22.263 44.607 -99.200 -91.000 TYR 217 0.840 -24.603 -21.623 15.497 -99.200 -91.000 HIS 219 0.900 -19.876 -22.093 11.421 -99.200 -91.000