============================================================================= 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. TYR 3 0.840 7.777 15.891 33.141 -99.200 -91.000 PHE 9 1.000 6.139 22.071 41.139 -99.200 -91.000 PHE 24 1.000 7.979 38.331 52.066 -99.200 -91.000 PHE 33 1.000 -3.644 21.440 49.863 -99.200 -91.000 TYR 47 0.840 -4.757 33.531 50.221 -99.200 -91.000 TYR 59 0.840 -14.954 16.011 67.005 -99.200 -91.000 TYR 70 0.840 -2.807 26.747 39.093 -99.200 -91.000 HIS 94 0.900 5.259 38.634 42.969 -99.200 -91.000 HIS 98 0.900 -0.138 39.982 44.104 -99.200 -91.000 HIS 99 0.900 -5.356 36.849 51.964 -99.200 -91.000 PHE 100 1.000 -2.191 38.760 55.118 -99.200 -91.000 HIS 108 0.900 8.063 44.511 41.085 -99.200 -91.000 TYR 112 0.840 10.718 37.248 47.316 -99.200 -91.000