============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 -61.992-111.755 132.471 -99.200 -91.000 HIS 7 0.900 -67.897-116.660 140.534 -99.200 -91.000 PHE 9 1.000 -71.720-115.665 142.359 -99.200 -91.000 PHE 14 1.000 -66.459-108.770 135.358 -99.200 -91.000 PHE 23 1.000 -56.777-117.971 125.366 -99.200 -91.000 PHE 35 1.000 -45.277-128.316 115.917 -99.200 -91.000 PHE 49 1.000 -40.662-138.687 108.942 -99.200 -91.000 PHE 64 1.000 -53.206-138.193 121.227 -99.200 -91.000 HIS 73 0.900 -46.845-138.487 136.519 -99.200 -91.000 HIS 102 0.900 -41.761-132.962 119.928 -99.200 -91.000 PHE 103 1.000 -35.747-136.507 113.358 -99.200 -91.000 HIS 132 0.900 -72.807-105.880 115.398 -99.200 -91.000 HIS 146 0.900 -80.595 -84.851 115.321 -99.200 -91.000 TYR 152 0.840 -69.946 -81.411 131.633 -99.200 -91.000 TRP 170 1.040 -67.530 -92.132 123.206 -99.200 -91.000 TRP6 170 1.020 -69.861 -91.777 123.220 -99.200 -91.000 HIS 177 0.900 -57.629 -98.916 119.258 -99.200 -91.000 PHE 184 1.000 -49.685-108.970 115.938 -99.200 -91.000 PHE 189 1.000 -52.305-113.624 115.228 -99.200 -91.000 PHE 193 1.000 -39.670-127.114 112.919 -99.200 -91.000 TRP 226 1.040 -41.582-117.048 117.186 -99.200 -91.000 TRP6 226 1.020 -43.259-117.140 118.846 -99.200 -91.000 HIS 227 0.900 -36.971-121.975 120.626 -99.200 -91.000 PHE 236 1.000 -52.931-110.602 119.830 -99.200 -91.000 PHE 250 1.000 -69.448 -96.364 124.623 -99.200 -91.000 PHE 281 1.000 -57.331-108.226 134.278 -99.200 -91.000 HIS 290 0.900 -44.102-103.863 126.779 -99.200 -91.000 TRP 304 1.040 -42.674-120.159 127.237 -99.200 -91.000 TRP6 304 1.020 -42.258-122.483 127.349 -99.200 -91.000 TRP 308 1.040 -46.873-120.781 129.390 -99.200 -91.000 TRP6 308 1.020 -45.828-122.641 130.440 -99.200 -91.000