============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 3 0.900 38.633 47.023 73.604 -99.200 -91.000 TYR 17 0.840 35.792 66.588 80.138 -99.200 -91.000 TYR 20 0.840 40.775 58.008 83.945 -99.200 -91.000 HIS 22 0.900 37.380 67.681 87.374 -99.200 -91.000 PHE 24 1.000 38.777 61.861 97.881 -99.200 -91.000 PHE 42 1.000 39.570 56.570 104.922 -99.200 -91.000 PHE 56 1.000 41.294 49.184 100.375 -99.200 -91.000 PHE 65 1.000 46.429 50.052 102.803 -99.200 -91.000 TYR 73 0.840 46.430 61.092 92.574 -99.200 -91.000 PHE 77 1.000 32.494 54.594 92.191 -99.200 -91.000 TYR 78 0.840 29.693 62.005 94.505 -99.200 -91.000 TYR 79 0.840 24.373 54.527 88.714 -99.200 -91.000 TYR 93 0.840 35.769 49.994 92.725 -99.200 -91.000 TRP 114 1.040 56.488 57.890 70.775 -99.200 -91.000 TRP6 114 1.020 58.119 58.512 69.182 -99.200 -91.000 TYR 149 0.840 48.680 65.055 73.268 -99.200 -91.000 TYR 152 0.840 39.151 59.083 78.465 -99.200 -91.000 TYR 153 0.840 37.468 67.796 74.521 -99.200 -91.000 PHE 165 1.000 51.003 52.978 83.540 -99.200 -91.000 TYR 173 0.840 52.807 46.479 86.612 -99.200 -91.000 PHE 175 1.000 46.064 50.811 83.794 -99.200 -91.000 TYR 178 0.840 40.043 56.160 73.530 -99.200 -91.000 TYR 186 0.840 28.327 49.987 88.809 -99.200 -91.000 TYR 192 0.840 42.167 52.682 88.133 -99.200 -91.000 HIS 205 0.900 60.805 53.491 79.853 -99.200 -91.000 TYR 211 0.840 48.665 54.127 67.749 -99.200 -91.000