============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 3 0.900 5.083 113.900 9.294 -99.200 -91.000 PHE 5 1.000 14.438 107.367 14.771 -99.200 -91.000 TYR 11 0.840 20.929 99.925 11.514 -99.200 -91.000 PHE 18 1.000 24.936 107.006 21.959 -99.200 -91.000 PHE 24 1.000 25.807 94.518 16.620 -99.200 -91.000 HIS 33 0.900 26.671 101.800 18.479 -99.200 -91.000 TYR 36 0.840 25.559 97.306 12.183 -99.200 -91.000 HIS 53 0.900 14.419 96.860 -7.704 -99.200 -91.000 TYR 87 0.840 20.853 77.897 13.651 -99.200 -91.000 PHE 96 1.000 5.969 76.053 3.479 -99.200 -91.000 TYR 112 0.840 23.407 75.777 8.883 -99.200 -91.000 TYR 130 0.840 26.440 87.689 -2.695 -99.200 -91.000 PHE 139 1.000 25.771 78.557 -2.032 -99.200 -91.000 PHE 142 1.000 28.044 88.665 3.593 -99.200 -91.000 PHE 151 1.000 22.317 103.060 1.379 -99.200 -91.000 PHE 156 1.000 13.351 102.075 4.074 -99.200 -91.000 PHE 162 1.000 14.116 94.513 9.641 -99.200 -91.000 HIS 166 0.900 8.417 81.278 7.014 -99.200 -91.000 TRP 193 1.040 14.902 94.986 31.303 -99.200 -91.000 TRP6 193 1.020 15.780 93.390 29.806 -99.200 -91.000 PHE 208 1.000 16.546 80.304 14.311 -99.200 -91.000 HIS 209 0.900 12.800 82.840 19.341 -99.200 -91.000 PHE 232 1.000 23.834 78.442 26.852 -99.200 -91.000 HIS 244 0.900 32.986 90.460 26.019 -99.200 -91.000 PHE 252 1.000 13.216 81.660 24.681 -99.200 -91.000 PHE 286 1.000 19.158 86.199 37.658 -99.200 -91.000 PHE 295 1.000 13.294 85.460 34.669 -99.200 -91.000 TRP 296 1.040 12.800 92.896 34.507 -99.200 -91.000 TRP6 296 1.020 11.438 94.822 34.624 -99.200 -91.000 PHE 299 1.000 1.438 86.054 25.504 -99.200 -91.000 PHE 310 1.000 9.883 93.004 30.330 -99.200 -91.000 TYR 313 0.840 8.841 84.806 39.582 -99.200 -91.000 PHE 325 1.000 2.160 104.579 26.418 -99.200 -91.000 TRP 326 1.040 4.418 102.608 22.694 -99.200 -91.000 TRP6 326 1.020 3.499 104.613 21.816 -99.200 -91.000 PHE 355 1.000 1.054 88.963 12.432 -99.200 -91.000 TYR 358 0.840 -0.186 84.481 10.945 -99.200 -91.000 TRP 359 1.040 5.668 85.939 2.348 -99.200 -91.000 TRP6 359 1.020 5.803 88.227 1.747 -99.200 -91.000 HIS 367 0.900 -9.150 81.846 13.277 -99.200 -91.000 PHE 369 1.000 -4.142 91.115 11.774 -99.200 -91.000 TRP 373 1.040 -10.406 92.835 20.454 -99.200 -91.000 TRP6 373 1.020 -9.048 93.927 22.055 -99.200 -91.000 HIS 374 0.900 -2.235 88.957 16.761 -99.200 -91.000 HIS 375 0.900 -8.929 87.221 17.856 -99.200 -91.000 PHE 382 1.000 -5.174 90.919 31.386 -99.200 -91.000 TYR 387 0.840 1.024 92.531 38.227 -99.200 -91.000 PHE 389 1.000 -1.361 85.382 37.558 -99.200 -91.000 TYR 390 0.840 0.916 80.557 27.938 -99.200 -91.000