============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 2 1.000 7.941 15.969 -5.738 -99.200 -91.000 HIS 21 0.900 -1.413 21.301 -0.504 -99.200 -91.000 PHE 29 1.000 -6.627 12.193 -14.870 -99.200 -91.000 PHE 35 1.000 -0.613 5.714 -9.326 -99.200 -91.000 PHE 36 1.000 1.690 10.140 -16.304 -99.200 -91.000 HIS 44 0.900 -15.116 24.694 -23.712 -99.200 -91.000 TRP 47 1.040 -18.274 17.875 -16.244 -99.200 -91.000 TRP6 47 1.020 -20.335 17.968 -15.072 -99.200 -91.000 TYR 54 0.840 -17.111 9.200 -19.039 -99.200 -91.000 HIS 65 0.900 -19.231 22.127 -23.329 -99.200 -91.000 PHE 69 1.000 -8.401 19.352 -21.292 -99.200 -91.000 TYR 88 0.840 -0.924 20.837 -9.933 -99.200 -91.000 PHE 101 1.000 -1.260 18.529 -3.836 -99.200 -91.000 HIS 107 0.900 2.356 21.317 -24.662 -99.200 -91.000