============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 17 0.840 73.267 123.079 -94.114 -99.200 -91.000 PHE 28 1.000 73.818 116.778 -77.872 -99.200 -91.000 HIS 59 0.900 84.179 137.629-115.097 -99.200 -91.000 TYR 60 0.840 83.422 132.706-116.586 -99.200 -91.000 TYR 61 0.840 76.036 139.098-122.033 -99.200 -91.000 HIS 62 0.900 82.613 142.861-118.800 -99.200 -91.000 HIS 65 0.900 77.691 142.026-125.773 -99.200 -91.000 PHE 69 1.000 85.999 134.215-123.308 -99.200 -91.000 HIS 103 0.900 69.281 112.614-101.078 -99.200 -91.000 PHE 105 1.000 68.519 118.708 -92.097 -99.200 -91.000 HIS 112 0.900 62.408 118.991 -93.594 -99.200 -91.000 TYR 116 0.840 56.233 131.166 -88.138 -99.200 -91.000 PHE 153 1.000 62.970 154.025 -98.392 -99.200 -91.000 TRP 195 1.040 69.986 142.352-112.499 -99.200 -91.000 TRP6 195 1.020 68.883 141.001-114.114 -99.200 -91.000 PHE 207 1.000 72.337 159.217 -94.711 -99.200 -91.000 HIS 210 0.900 81.703 153.512 -96.549 -99.200 -91.000 PHE 224 1.000 84.165 146.969-105.186 -99.200 -91.000 PHE 233 1.000 76.989 149.438-109.361 -99.200 -91.000 PHE 235 1.000 78.953 152.694-107.013 -99.200 -91.000 PHE 281 1.000 60.657 135.967 -89.466 -99.200 -91.000 PHE 306 1.000 77.422 131.461 -80.168 -99.200 -91.000 TYR 314 0.840 72.344 126.268 -75.623 -99.200 -91.000 HIS 327 0.900 81.725 133.822 -94.047 -99.200 -91.000 HIS 346 0.900 87.331 129.703 -76.700 -99.200 -91.000 TYR 349 0.840 81.291 137.066 -83.386 -99.200 -91.000 TYR 357 0.840 81.699 135.516-102.956 -99.200 -91.000 HIS 359 0.900 86.767 139.407-112.785 -99.200 -91.000 TRP 364 1.040 86.718 143.484 -94.998 -99.200 -91.000 TRP6 364 1.020 85.352 144.013 -96.859 -99.200 -91.000 TYR 379 0.840 97.925 151.587 -89.195 -99.200 -91.000 PHE 384 1.000 103.459 142.634-105.640 -99.200 -91.000 PHE 386 1.000 95.810 140.833-106.871 -99.200 -91.000 HIS 417 0.900 91.717 145.497 -94.924 -99.200 -91.000 TYR 436 0.840 98.862 128.020 -86.028 -99.200 -91.000 HIS 448 0.900 102.561 132.331-100.205 -99.200 -91.000 HIS 450 0.900 106.420 132.840-110.452 -99.200 -91.000 PHE 457 1.000 98.169 136.894 -97.447 -99.200 -91.000 PHE 466 1.000 114.280 144.072 -96.863 -99.200 -91.000 PHE 472 1.000 104.636 148.612-107.214 -99.200 -91.000