============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. HIS 7 0.900 -17.174 4.844 13.044 -99.200 -91.000 PHE 15 1.000 -9.291 0.620 -2.107 -99.200 -91.000 HIS 16 0.900 -5.530 -0.675 2.375 -99.200 -91.000 TYR 18 0.840 -14.641 -6.419 -1.075 -99.200 -91.000 HIS 24 0.900 -0.927 -1.959 -7.078 -99.200 -91.000 PHE 25 1.000 0.217 -2.943 -2.667 -99.200 -91.000 PHE 58 1.000 -24.050 -0.278 -7.491 -99.200 -91.000 PHE 70 1.000 -9.109 5.027 0.143 -99.200 -91.000 PHE 73 1.000 -14.121 2.398 -1.291 -99.200 -91.000 HIS 85 0.900 -27.412 14.207 6.922 -99.200 -91.000 TYR 86 0.840 -33.144 12.083 1.526 -99.200 -91.000 HIS 87 0.900 -33.091 5.153 5.781 -99.200 -91.000 HIS 89 0.900 -31.992 14.703 9.166 -99.200 -91.000