============================================================================= 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. TYR 5 0.840 35.375 -88.163 43.465 -99.200 -91.000 PHE 7 1.000 35.468 -86.796 37.906 -99.200 -91.000 PHE 12 1.000 47.284 -81.550 28.928 -99.200 -91.000 TYR 23 0.840 48.316 -76.242 41.712 -99.200 -91.000 TYR 75 0.840 60.837 -88.663 51.289 -99.200 -91.000 TYR 82 0.840 60.914 -92.740 50.139 -99.200 -91.000 HIS 94 0.900 61.124-109.233 44.647 -99.200 -91.000 TYR 97 0.840 64.316-107.458 34.907 -99.200 -91.000 TYR 101 0.840 63.219-110.839 31.768 -99.200 -91.000 TYR 104 0.840 66.952-108.967 43.486 -99.200 -91.000 PHE 130 1.000 52.238 -92.015 43.929 -99.200 -91.000 HIS 139 0.900 77.090-102.361 39.539 -99.200 -91.000 PHE 142 1.000 75.303-107.550 30.598 -99.200 -91.000 PHE 145 1.000 79.130 -98.453 41.060 -99.200 -91.000 TYR 148 0.840 68.593 -93.532 35.614 -99.200 -91.000 TYR 156 0.840 62.839 -92.567 33.292 -99.200 -91.000 PHE 157 1.000 64.423 -85.306 34.779 -99.200 -91.000 TRP 159 1.040 69.784 -85.548 37.648 -99.200 -91.000 TRP6 159 1.020 70.206 -83.371 36.831 -99.200 -91.000 PHE 174 1.000 79.987 -77.328 48.231 -99.200 -91.000 TRP 179 1.040 80.389 -85.459 39.740 -99.200 -91.000 TRP6 179 1.020 80.910 -85.769 37.450 -99.200 -91.000 HIS 190 0.900 85.376 -84.446 52.590 -99.200 -91.000 PHE 204 1.000 75.996 -82.150 58.577 -99.200 -91.000 TYR 223 0.840 73.347-117.252 50.217 -99.200 -91.000 PHE 234 1.000 70.652 -99.454 50.312 -99.200 -91.000