============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 34 0.840 63.125 91.397 52.326 -99.200 -91.000 HIS 65 0.900 72.541 83.151 45.830 -99.200 -91.000 TYR 97 0.840 52.772 74.464 36.260 -99.200 -91.000 HIS 98 0.900 44.533 78.284 35.604 -99.200 -91.000 PHE 105 1.000 53.307 66.490 21.117 -99.200 -91.000 TYR 107 0.840 53.646 64.429 27.956 -99.200 -91.000 TYR 109 0.840 44.055 71.520 30.765 -99.200 -91.000 PHE 119 1.000 54.799 69.899 40.163 -99.200 -91.000 PHE 151 1.000 42.346 89.080 39.736 -99.200 -91.000 HIS 163 0.900 36.297 70.753 30.742 -99.200 -91.000 PHE 165 1.000 43.024 71.526 36.680 -99.200 -91.000 HIS 180 0.900 58.219 72.501 36.999 -99.200 -91.000 HIS 183 0.900 59.120 66.608 41.239 -99.200 -91.000 PHE 185 1.000 67.129 73.159 42.963 -99.200 -91.000 PHE 189 1.000 54.364 72.091 47.468 -99.200 -91.000 HIS 204 0.900 40.210 95.601 39.273 -99.200 -91.000 PHE 207 1.000 44.643 91.423 44.580 -99.200 -91.000 PHE 210 1.000 36.881 92.578 51.311 -99.200 -91.000 HIS 231 0.900 60.958 77.564 68.655 -99.200 -91.000