============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 17 0.840 110.268 89.101 56.136 -99.200 -91.000 TRP 45 1.040 95.882 107.785 55.645 -99.200 -91.000 TRP6 45 1.020 93.923 107.053 56.750 -99.200 -91.000 PHE 47 1.000 100.114 104.760 54.401 -99.200 -91.000 PHE 64 1.000 111.489 92.904 71.798 -99.200 -91.000 TRP 87 1.040 98.853 110.964 66.279 -99.200 -91.000 TRP6 87 1.020 100.481 109.265 66.067 -99.200 -91.000 PHE 88 1.000 96.766 107.602 69.849 -99.200 -91.000 TRP 110 1.040 102.425 97.486 64.907 -99.200 -91.000 TRP6 110 1.020 100.234 98.333 64.692 -99.200 -91.000 TYR 114 0.840 102.246 106.887 69.766 -99.200 -91.000 TYR 116 0.840 107.313 101.137 73.808 -99.200 -91.000 HIS 132 0.900 103.917 118.343 60.378 -99.200 -91.000 TYR 142 0.840 107.108 87.267 47.001 -99.200 -91.000 TYR 152 0.840 85.451 82.425 70.012 -99.200 -91.000 HIS 158 0.900 83.153 90.973 79.180 -99.200 -91.000 HIS 159 0.900 76.504 87.855 75.181 -99.200 -91.000 TRP 162 1.040 83.652 93.218 83.538 -99.200 -91.000 TRP6 162 1.020 85.272 93.200 81.813 -99.200 -91.000