============================================================================= 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 3 0.840 34.285 -5.411 46.705 -99.200 -91.000 HIS 7 0.900 33.710 -12.573 59.172 -99.200 -91.000 HIS 42 0.900 26.092 6.439 52.917 -99.200 -91.000 PHE 44 1.000 28.224 -2.655 47.398 -99.200 -91.000 TYR 58 0.840 31.689 -3.765 61.370 -99.200 -91.000 TYR 64 0.840 15.370 -5.676 62.767 -99.200 -91.000 HIS 74 0.900 22.172 4.013 50.503 -99.200 -91.000 HIS 76 0.900 21.784 5.574 55.625 -99.200 -91.000 HIS 78 0.900 17.396 2.952 52.353 -99.200 -91.000