============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 5 1.000 39.739 13.164 34.198 -99.200 -91.000 PHE 9 1.000 34.256 19.402 30.599 -99.200 -91.000 PHE 59 1.000 21.275 25.439 29.395 -99.200 -91.000 TYR 104 0.840 44.091 15.163 33.283 -99.200 -91.000 PHE 106 1.000 39.205 19.673 26.316 -99.200 -91.000 HIS 117 0.900 16.694 18.167 23.170 -99.200 -91.000 HIS 121 0.900 27.385 12.705 25.806 -99.200 -91.000 PHE 131 1.000 24.833 21.862 36.830 -99.200 -91.000 TYR 135 0.840 13.969 31.420 37.263 -99.200 -91.000 PHE 139 1.000 18.995 16.706 33.410 -99.200 -91.000 PHE 144 1.000 36.667 13.966 27.962 -99.200 -91.000