============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 6 1.000 27.197 5.370 68.072 -99.200 -91.000 TYR 7 0.840 31.734 2.242 63.064 -99.200 -91.000 PHE 14 1.000 31.112 0.447 69.263 -99.200 -91.000 TYR 15 0.840 22.442 -0.863 69.518 -99.200 -91.000 PHE 25 1.000 11.480 0.073 72.609 -99.200 -91.000 HIS 41 0.900 25.650 -1.566 92.621 -99.200 -91.000 PHE 52 1.000 14.960 -2.235 83.336 -99.200 -91.000 TYR 64 0.840 30.157 -10.859 95.746 -99.200 -91.000 PHE 79 1.000 26.076 -9.618 92.377 -99.200 -91.000 HIS 85 0.900 15.007 -16.135 81.057 -99.200 -91.000 TYR 109 0.840 36.089 -3.578 77.780 -99.200 -91.000 PHE 129 1.000 35.990 3.753 88.497 -99.200 -91.000 PHE 152 1.000 24.908 1.186 78.290 -99.200 -91.000 TYR 154 0.840 23.713 6.529 79.945 -99.200 -91.000 PHE 165 1.000 39.066 3.885 67.897 -99.200 -91.000 PHE 166 1.000 34.984 2.060 65.695 -99.200 -91.000