============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. TYR 65 0.840 -47.860 2.639 7.084 -99.200 -91.000 HIS 112 0.900 -45.439 18.755 3.248 -99.200 -91.000 PHE 116 1.000 -36.225 23.049 6.863 -99.200 -91.000 HIS 123 0.900 -32.675 14.391 -12.174 -99.200 -91.000 HIS 135 0.900 -34.329 26.508 5.541 -99.200 -91.000 TYR 136 0.840 -33.531 19.863 3.611 -99.200 -91.000 TYR 138 0.840 -27.661 18.458 -4.012 -99.200 -91.000 PHE 159 1.000 -33.043 -2.216 -9.855 -99.200 -91.000 PHE 161 1.000 -35.118 5.705 -2.274 -99.200 -91.000