============================================================================= 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 8 0.900 38.444 6.369 7.228 -99.200 -91.000 TYR 14 0.840 39.417 0.840 4.985 -99.200 -91.000 TYR 22 0.840 42.547 -7.301 4.236 -99.200 -91.000 PHE 49 1.000 46.262 14.634 -9.926 -99.200 -91.000 PHE 61 1.000 34.241 18.214 -7.689 -99.200 -91.000 HIS 71 0.900 35.537 0.543 -7.126 -99.200 -91.000 PHE 74 1.000 33.533 -2.572 -1.009 -99.200 -91.000 HIS 76 0.900 43.750 -6.477 -1.396 -99.200 -91.000 PHE 87 1.000 31.747 -18.795 -3.301 -99.200 -91.000 TYR 94 0.840 31.156 -9.236 -7.688 -99.200 -91.000 TYR 97 0.840 31.495 -2.863 -10.627 -99.200 -91.000 TYR 108 0.840 35.516 13.942 -12.646 -99.200 -91.000 PHE 112 1.000 37.258 19.125 -11.174 -99.200 -91.000