============================================================================= 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 -151.295 3.184 40.591 -99.200 -91.000 TYR 7 0.840 -140.193 8.883 46.354 -99.200 -91.000 TRP 12 1.040 -142.684 4.281 46.390 -99.200 -91.000 TRP6 12 1.020 -143.602 5.712 44.755 -99.200 -91.000 TYR 22 0.840 -164.338 4.372 39.095 -99.200 -91.000 TYR 43 0.840 -143.232 12.842 57.210 -99.200 -91.000 TYR 45 0.840 -146.484 21.676 51.507 -99.200 -91.000 TRP 55 1.040 -132.186 19.597 45.224 -99.200 -91.000 TRP6 55 1.020 -131.463 17.666 44.051 -99.200 -91.000 TYR 60 0.840 -126.035 25.772 39.602 -99.200 -91.000 TYR 66 0.840 -129.180 12.728 42.346 -99.200 -91.000 HIS 68 0.900 -128.963 15.317 31.632 -99.200 -91.000 TYR 93 0.840 -149.867 3.136 23.308 -99.200 -91.000 TYR 109 0.840 -133.444 23.161 25.939 -99.200 -91.000 PHE 127 1.000 -127.025 55.667 40.060 -99.200 -91.000 PHE 152 1.000 -158.619 17.588 31.310 -99.200 -91.000 TYR 154 0.840 -150.523 18.498 26.962 -99.200 -91.000 PHE 175 1.000 -146.852 16.002 39.903 -99.200 -91.000 PHE 192 1.000 -138.873 13.643 39.034 -99.200 -91.000 PHE 202 1.000 -141.172 14.018 42.497 -99.200 -91.000 TYR 215 0.840 -153.242 22.433 55.447 -99.200 -91.000 HIS 219 0.900 -147.819 24.196 55.276 -99.200 -91.000 PHE 224 1.000 -142.587 30.302 41.478 -99.200 -91.000 PHE 227 1.000 -153.660 26.120 38.804 -99.200 -91.000 PHE 276 1.000 -162.358 20.545 15.205 -99.200 -91.000 TYR 278 0.840 -156.640 15.370 25.563 -99.200 -91.000 TYR 332 0.840 -168.790 25.279 29.681 -99.200 -91.000 PHE 363 1.000 -172.723 25.383 16.202 -99.200 -91.000 TRP 374 1.040 -167.791 36.824 23.476 -99.200 -91.000 TRP6 374 1.020 -166.033 38.218 22.674 -99.200 -91.000 PHE 378 1.000 -159.407 22.580 28.148 -99.200 -91.000 TYR 402 0.840 -160.388 32.786 28.662 -99.200 -91.000 PHE 409 1.000 -153.268 30.374 10.010 -99.200 -91.000 PHE 413 1.000 -144.080 35.828 7.576 -99.200 -91.000 PHE 417 1.000 -142.328 40.086 13.195 -99.200 -91.000 HIS 429 0.900 -147.116 29.839 17.688 -99.200 -91.000 PHE 441 1.000 -139.396 28.745 19.768 -99.200 -91.000 PHE 443 1.000 -147.829 28.257 27.409 -99.200 -91.000 TYR 458 0.840 -138.025 32.737 28.353 -99.200 -91.000 PHE 471 1.000 -115.570 42.327 46.424 -99.200 -91.000