============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 19 1.000 31.572 58.490 106.882 -99.200 -91.000 PHE 22 1.000 37.140 60.193 99.429 -99.200 -91.000 HIS 40 0.900 29.526 43.601 101.426 -99.200 -91.000 TYR 41 0.840 34.072 49.135 100.149 -99.200 -91.000 TYR 52 0.840 32.339 53.072 97.340 -99.200 -91.000 PHE 54 1.000 36.739 49.907 93.486 -99.200 -91.000 PHE 58 1.000 47.291 52.925 87.457 -99.200 -91.000 HIS 67 0.900 63.054 38.289 88.921 -99.200 -91.000 TYR 69 0.840 49.601 41.834 90.138 -99.200 -91.000 PHE 81 1.000 40.537 52.040 88.019 -99.200 -91.000 PHE 88 1.000 28.938 47.126 90.271 -99.200 -91.000 HIS 97 0.900 52.470 54.581 91.397 -99.200 -91.000 PHE 117 1.000 56.944 55.674 100.804 -99.200 -91.000 PHE 142 1.000 58.603 61.765 104.683 -99.200 -91.000 PHE 155 1.000 49.013 69.120 93.916 -99.200 -91.000 PHE 172 1.000 55.082 56.436 119.815 -99.200 -91.000 TYR 174 0.840 64.986 52.829 114.838 -99.200 -91.000 PHE 184 1.000 42.611 63.285 111.933 -99.200 -91.000 PHE 198 1.000 42.243 57.714 110.863 -99.200 -91.000 HIS 202 0.900 46.953 52.924 102.865 -99.200 -91.000 PHE 225 1.000 42.234 55.428 100.826 -99.200 -91.000 HIS 229 0.900 41.505 40.093 99.446 -99.200 -91.000 HIS 234 0.900 43.775 30.760 104.129 -99.200 -91.000 PHE 251 1.000 34.700 50.274 109.761 -99.200 -91.000 PHE 265 1.000 27.936 66.500 119.371 -99.200 -91.000