============================================================================= 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 1.000 135.435 22.819 70.773 -99.200 -91.000 HIS 28 0.900 128.666 27.188 66.177 -99.200 -91.000 PHE 35 1.000 115.644 32.902 67.259 -99.200 -91.000 TYR 40 0.840 102.159 45.333 67.899 -99.200 -91.000 TYR 58 0.840 103.664 24.732 66.861 -99.200 -91.000 TYR 66 0.840 95.141 32.932 67.752 -99.200 -91.000 TYR 92 0.840 106.209 11.667 82.873 -99.200 -91.000 TYR 95 0.840 109.614 20.368 72.239 -99.200 -91.000 HIS 109 0.900 100.507 41.098 79.393 -99.200 -91.000 PHE 111 1.000 102.455 35.573 80.412 -99.200 -91.000 TYR 124 0.840 113.043 41.889 87.980 -99.200 -91.000 PHE 133 1.000 126.725 34.699 87.911 -99.200 -91.000 TYR 135 0.840 115.878 36.289 88.218 -99.200 -91.000 TYR 142 0.840 112.080 46.630 86.971 -99.200 -91.000 TYR 184 0.840 111.450 41.777 68.193 -99.200 -91.000