============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 25 1.000 135.573 22.886 70.539 -99.200 -91.000 HIS 28 0.900 128.674 27.380 66.076 -99.200 -91.000 PHE 35 1.000 115.663 33.036 67.141 -99.200 -91.000 TYR 40 0.840 102.341 45.484 67.643 -99.200 -91.000 TYR 58 0.840 103.851 24.975 66.763 -99.200 -91.000 TYR 66 0.840 95.360 32.921 67.447 -99.200 -91.000 TYR 92 0.840 106.460 11.819 82.728 -99.200 -91.000 TYR 95 0.840 109.690 20.532 72.032 -99.200 -91.000 HIS 109 0.900 100.604 41.127 79.133 -99.200 -91.000 PHE 111 1.000 102.617 35.670 80.114 -99.200 -91.000 TYR 124 0.840 113.173 41.936 87.816 -99.200 -91.000 PHE 133 1.000 126.813 34.863 87.588 -99.200 -91.000 TYR 135 0.840 116.071 36.442 87.982 -99.200 -91.000 TYR 142 0.840 112.284 46.760 86.719 -99.200 -91.000 TYR 184 0.840 111.553 41.897 67.939 -99.200 -91.000