============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 7 1.000 -0.132 -58.126-106.081 -99.200 -91.000 PHE 24 1.000 -15.993 -29.091 -93.605 -99.200 -91.000 PHE 28 1.000 -12.196 -26.527 -95.334 -99.200 -91.000 PHE 29 1.000 -13.026 -20.606-101.388 -99.200 -91.000 TYR 46 0.840 -7.924 -34.329 -96.038 -99.200 -91.000 PHE 52 1.000 -18.274 -30.237 -89.047 -99.200 -91.000 TYR 81 0.840 -4.213 -52.338-102.076 -99.200 -91.000 PHE 107 1.000 -1.791 -51.457 -96.501 -99.200 -91.000 HIS 132 0.900 -2.491 -34.711 -99.245 -99.200 -91.000 PHE 139 1.000 3.122 -49.985-104.694 -99.200 -91.000 TRP 145 1.040 5.822 -57.805-108.639 -99.200 -91.000 TRP6 145 1.020 3.906 -58.702-109.691 -99.200 -91.000 PHE 148 1.000 1.668 -59.740-100.669 -99.200 -91.000 PHE 155 1.000 -0.975 -61.597-111.776 -99.200 -91.000 TYR 156 0.840 -8.760 -53.809-110.416 -99.200 -91.000 TYR 160 0.840 -8.765 -43.237-109.561 -99.200 -91.000 TYR 175 0.840 4.656 -62.928-112.722 -99.200 -91.000 HIS 177 0.900 1.916 -59.810-123.699 -99.200 -91.000 PHE 184 1.000 -2.651 -55.421-115.744 -99.200 -91.000 PHE 192 1.000 -7.145 -38.040-112.995 -99.200 -91.000 TYR 197 0.840 -0.890 -40.805-115.690 -99.200 -91.000 HIS 207 0.900 2.439 -54.991-122.164 -99.200 -91.000 PHE 212 1.000 -13.160 -55.278-114.893 -99.200 -91.000 PHE 218 1.000 -14.703 -48.670-121.861 -99.200 -91.000 HIS 220 0.900 -13.219 -37.686-121.069 -99.200 -91.000 HIS 225 0.900 -5.874 -44.171-126.673 -99.200 -91.000 HIS 242 0.900 -21.133 -43.697-129.353 -99.200 -91.000 HIS 272 0.900 -30.848 -45.983-116.204 -99.200 -91.000 HIS 289 0.900 -20.286 -61.620-123.771 -99.200 -91.000 PHE 311 1.000 -19.515 -54.660-113.285 -99.200 -91.000 PHE 315 1.000 -15.816 -59.442-115.156 -99.200 -91.000 TYR 317 0.840 -16.881 -64.882-105.354 -99.200 -91.000 HIS 342 0.900 -24.717 -50.878 -97.890 -99.200 -91.000 PHE 345 1.000 -17.736 -44.863-100.908 -99.200 -91.000 PHE 349 1.000 -22.600 -59.802 -90.309 -99.200 -91.000 PHE 351 1.000 -23.882 -59.229-101.853 -99.200 -91.000