============================================================================= 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 4 0.840 -151.251 3.121 40.306 -99.200 -91.000 TYR 7 0.840 -140.192 8.948 46.167 -99.200 -91.000 TRP 12 1.040 -142.851 4.274 46.251 -99.200 -91.000 TRP6 12 1.020 -143.711 5.701 44.568 -99.200 -91.000 TYR 22 0.840 -164.383 4.328 38.847 -99.200 -91.000 TYR 43 0.840 -143.305 12.802 56.914 -99.200 -91.000 TYR 45 0.840 -146.520 21.650 51.260 -99.200 -91.000 TRP 55 1.040 -132.262 19.667 45.129 -99.200 -91.000 TRP6 55 1.020 -131.574 17.835 43.803 -99.200 -91.000 TYR 60 0.840 -126.086 25.713 39.507 -99.200 -91.000 TYR 66 0.840 -129.188 12.710 42.103 -99.200 -91.000 HIS 68 0.900 -129.084 15.269 31.440 -99.200 -91.000 TYR 93 0.840 -149.899 3.140 23.291 -99.200 -91.000 TYR 109 0.840 -133.509 23.128 25.914 -99.200 -91.000 PHE 127 1.000 -127.110 55.375 39.848 -99.200 -91.000 PHE 152 1.000 -158.641 17.560 31.279 -99.200 -91.000 TYR 154 0.840 -150.614 18.448 26.843 -99.200 -91.000 PHE 175 1.000 -146.912 15.905 39.754 -99.200 -91.000 PHE 192 1.000 -138.852 13.566 38.738 -99.200 -91.000 PHE 202 1.000 -141.229 14.001 42.363 -99.200 -91.000 TYR 215 0.840 -153.259 22.374 55.101 -99.200 -91.000 HIS 219 0.900 -147.775 24.140 54.970 -99.200 -91.000 PHE 224 1.000 -142.600 30.167 41.272 -99.200 -91.000 PHE 227 1.000 -153.653 26.064 38.577 -99.200 -91.000 PHE 276 1.000 -162.464 20.577 15.228 -99.200 -91.000 TYR 278 0.840 -156.667 15.305 25.462 -99.200 -91.000 TYR 332 0.840 -168.848 25.202 29.496 -99.200 -91.000 PHE 363 1.000 -172.826 25.238 16.055 -99.200 -91.000 TRP 374 1.040 -167.817 36.816 23.471 -99.200 -91.000 TRP6 374 1.020 -166.093 38.155 22.561 -99.200 -91.000 PHE 378 1.000 -159.502 22.515 27.933 -99.200 -91.000 TYR 402 0.840 -160.428 32.667 28.590 -99.200 -91.000 PHE 409 1.000 -153.302 30.307 9.933 -99.200 -91.000 PHE 413 1.000 -144.199 35.618 7.281 -99.200 -91.000 PHE 417 1.000 -142.460 40.054 13.021 -99.200 -91.000 HIS 429 0.900 -146.991 29.713 17.405 -99.200 -91.000 PHE 441 1.000 -139.457 28.707 19.673 -99.200 -91.000 PHE 443 1.000 -147.806 28.200 27.179 -99.200 -91.000 TYR 458 0.840 -138.091 32.729 28.233 -99.200 -91.000 PHE 471 1.000 -115.680 42.198 46.243 -99.200 -91.000