============================================================================= 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 19 0.840 161.227 123.094 -97.466 -99.200 -91.000 PHE 30 1.000 161.988 116.732 -81.262 -99.200 -91.000 HIS 61 0.900 172.145 137.794-118.427 -99.200 -91.000 TYR 62 0.840 171.561 132.712-119.895 -99.200 -91.000 TYR 63 0.840 164.087 139.030-125.334 -99.200 -91.000 HIS 64 0.900 170.576 142.908-122.199 -99.200 -91.000 HIS 67 0.900 165.851 142.162-128.930 -99.200 -91.000 PHE 71 1.000 174.049 134.281-126.824 -99.200 -91.000 HIS 105 0.900 160.817 112.098-102.662 -99.200 -91.000 PHE 107 1.000 156.749 118.721 -95.393 -99.200 -91.000 HIS 114 0.900 150.500 118.829 -96.992 -99.200 -91.000 TYR 118 0.840 144.195 130.893 -91.508 -99.200 -91.000 PHE 155 1.000 151.120 153.706-101.690 -99.200 -91.000 TRP 197 1.040 157.926 142.414-115.863 -99.200 -91.000 TRP6 197 1.020 156.941 141.055-117.536 -99.200 -91.000 PHE 209 1.000 160.385 159.227 -97.848 -99.200 -91.000 HIS 212 0.900 169.752 153.517 -99.941 -99.200 -91.000 PHE 226 1.000 172.208 146.941-108.658 -99.200 -91.000 PHE 235 1.000 165.106 149.365-112.713 -99.200 -91.000 PHE 237 1.000 166.842 152.650-110.387 -99.200 -91.000 PHE 283 1.000 148.667 135.716 -92.725 -99.200 -91.000 PHE 308 1.000 165.531 131.330 -83.435 -99.200 -91.000 TYR 316 0.840 160.287 126.220 -78.984 -99.200 -91.000 HIS 329 0.900 169.676 133.870 -97.425 -99.200 -91.000 HIS 348 0.900 175.367 129.708 -80.091 -99.200 -91.000 TYR 351 0.840 169.317 137.043 -86.694 -99.200 -91.000 TYR 359 0.840 169.735 135.557-106.441 -99.200 -91.000 HIS 361 0.900 174.675 139.368-116.052 -99.200 -91.000 TRP 366 1.040 174.699 143.484 -98.317 -99.200 -91.000 TRP6 366 1.020 173.354 143.977-100.189 -99.200 -91.000 TYR 381 0.840 185.872 151.658 -92.579 -99.200 -91.000 PHE 386 1.000 191.520 142.771-108.912 -99.200 -91.000 PHE 388 1.000 183.771 140.826-110.136 -99.200 -91.000 HIS 419 0.900 179.762 145.548 -98.247 -99.200 -91.000 TYR 438 0.840 186.935 127.999 -89.373 -99.200 -91.000 HIS 450 0.900 190.561 132.397-103.480 -99.200 -91.000 HIS 452 0.900 194.480 132.857-113.795 -99.200 -91.000 PHE 459 1.000 186.261 136.848-100.694 -99.200 -91.000 PHE 468 1.000 202.334 144.077-100.056 -99.200 -91.000 PHE 474 1.000 192.635 148.650-110.688 -99.200 -91.000