============================================================================= 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. TYR 4 0.840 0.379 38.047 42.805 -99.200 -91.000 HIS 7 0.900 -8.043 33.177 43.917 -99.200 -91.000 PHE 21 1.000 -2.748 27.031 57.789 -99.200 -91.000 PHE 28 1.000 3.795 34.562 47.147 -99.200 -91.000 HIS 33 0.900 -11.100 29.340 45.706 -99.200 -91.000 PHE 39 1.000 -10.174 29.281 40.817 -99.200 -91.000 PHE 42 1.000 -14.295 33.995 44.472 -99.200 -91.000 HIS 84 0.900 9.593 12.112 42.874 -99.200 -91.000 PHE 101 1.000 6.933 20.602 34.808 -99.200 -91.000 PHE 106 1.000 5.563 21.911 45.951 -99.200 -91.000 HIS 121 0.900 2.824 34.448 32.088 -99.200 -91.000