============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 26 1.000 5.779 26.475 97.065 -99.200 -91.000 PHE 39 1.000 5.674 34.872 93.809 -99.200 -91.000 HIS 40 0.900 1.645 37.165 90.313 -99.200 -91.000 PHE 48 1.000 7.720 38.751 97.679 -99.200 -91.000 PHE 53 1.000 7.236 27.346 103.554 -99.200 -91.000 PHE 73 1.000 1.966 28.100 104.683 -99.200 -91.000 HIS 74 0.900 -4.309 31.781 100.996 -99.200 -91.000 PHE 76 1.000 -0.165 33.079 110.221 -99.200 -91.000 HIS 80 0.900 8.074 44.306 103.869 -99.200 -91.000 HIS 107 0.900 7.014 43.318 118.970 -99.200 -91.000 HIS 115 0.900 23.858 28.590 99.288 -99.200 -91.000 TYR 116 0.840 20.523 27.129 104.496 -99.200 -91.000