============================================================================= 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 4 1.000 70.439 54.479 -18.261 -99.200 -91.000 PHE 11 1.000 49.910 62.275 -5.385 -99.200 -91.000 PHE 12 1.000 50.691 54.087 -4.328 -99.200 -91.000 TYR 15 0.840 48.163 55.545 4.439 -99.200 -91.000 PHE 18 1.000 54.572 59.787 2.155 -99.200 -91.000 TYR 19 0.840 55.667 63.449 -6.131 -99.200 -91.000 TYR 20 0.840 55.553 55.653 -2.593 -99.200 -91.000 HIS 29 0.900 49.265 61.111 -27.240 -99.200 -91.000 TYR 37 0.840 54.207 63.293 -18.526 -99.200 -91.000 PHE 41 1.000 53.606 54.582 -8.848 -99.200 -91.000 PHE 56 1.000 64.749 57.373 -8.345 -99.200 -91.000 PHE 57 1.000 68.550 64.265 -12.897 -99.200 -91.000 HIS 74 0.900 67.969 59.328 7.089 -99.200 -91.000 PHE 80 1.000 77.647 54.116 -3.996 -99.200 -91.000 HIS 103 0.900 68.424 62.378 11.150 -99.200 -91.000 TYR 116 0.840 59.054 56.692 1.958 -99.200 -91.000 PHE 125 1.000 63.757 66.129 -5.197 -99.200 -91.000 PHE 132 1.000 59.367 64.131 -22.977 -99.200 -91.000