============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 12 1.000 52.687 76.609 9.634 -99.200 -91.000 PHE 26 1.000 37.266 64.790 -9.297 -99.200 -91.000 TYR 31 0.840 36.321 60.459 -12.439 -99.200 -91.000 TYR 38 0.840 60.456 70.371 -3.927 -99.200 -91.000 TYR 44 0.840 58.571 61.022 10.418 -99.200 -91.000 PHE 48 1.000 52.357 61.006 -1.593 -99.200 -91.000 HIS 51 0.900 41.931 54.827 2.681 -99.200 -91.000 PHE 84 1.000 59.282 74.487 -2.413 -99.200 -91.000 PHE 85 1.000 56.634 69.457 -8.099 -99.200 -91.000 PHE 91 1.000 52.146 67.184 -14.689 -99.200 -91.000 PHE 111 1.000 62.121 84.877 2.951 -99.200 -91.000 PHE 116 1.000 57.858 79.467 -2.561 -99.200 -91.000 PHE 140 1.000 47.283 83.043 19.389 -99.200 -91.000 TYR 145 0.840 49.690 88.610 4.265 -99.200 -91.000 TYR 164 0.840 59.285 78.849 6.485 -99.200 -91.000 HIS 165 0.900 55.598 81.778 14.735 -99.200 -91.000 TYR 172 0.840 55.529 89.723 6.171 -99.200 -91.000 PHE 173 1.000 54.543 94.706 6.485 -99.200 -91.000