============================================================================= 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 7 1.000 -52.897 -89.583 61.890 -99.200 -91.000 HIS 9 0.900 -48.065 -96.955 55.829 -99.200 -91.000 TYR 23 0.840 -42.013 -86.274 66.331 -99.200 -91.000 PHE 32 1.000 -43.651 -79.424 73.459 -99.200 -91.000 TYR 48 0.840 -40.549-111.732 67.230 -99.200 -91.000 TYR 52 0.840 -37.233-109.691 71.945 -99.200 -91.000 PHE 53 1.000 -37.406-104.757 71.731 -99.200 -91.000 HIS 76 0.900 -49.276 -90.802 56.663 -99.200 -91.000 HIS 97 0.900 -38.720 -94.019 54.959 -99.200 -91.000 PHE 103 1.000 -48.475 -82.549 53.555 -99.200 -91.000 TYR 110 0.840 -39.459 -80.003 62.217 -99.200 -91.000 TYR 111 0.840 -43.094 -82.994 54.188 -99.200 -91.000 TYR 127 0.840 -36.337 -90.407 71.061 -99.200 -91.000 PHE 153 1.000 -29.380-103.852 59.429 -99.200 -91.000 TYR 180 0.840 -36.238-107.859 67.468 -99.200 -91.000 PHE 207 1.000 -48.065 -95.213 45.935 -99.200 -91.000 PHE 250 1.000 -54.357-104.380 44.324 -99.200 -91.000 PHE 278 1.000 -41.414-102.856 37.794 -99.200 -91.000