============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. HIS 3 0.900 28.232 -8.594 42.777 -99.200 -91.000 TYR 9 0.840 30.945 -7.039 30.982 -99.200 -91.000 TYR 17 0.840 23.871 0.634 37.156 -99.200 -91.000 PHE 24 1.000 18.331 -17.049 44.845 -99.200 -91.000 PHE 26 1.000 16.069 -12.762 35.446 -99.200 -91.000 TYR 30 0.840 14.736 -19.279 41.291 -99.200 -91.000 PHE 32 1.000 22.724 -24.281 35.747 -99.200 -91.000 TRP 35 1.040 17.492 -25.989 34.346 -99.200 -91.000 TRP6 35 1.020 19.342 -26.459 32.957 -99.200 -91.000 TRP 39 1.040 15.300 -33.110 35.113 -99.200 -91.000 TRP6 39 1.020 17.407 -32.054 35.119 -99.200 -91.000 TRP 41 1.040 7.512 -29.894 41.607 -99.200 -91.000 TRP6 41 1.020 7.837 -27.651 40.905 -99.200 -91.000 PHE 70 1.000 26.503 -24.106 40.961 -99.200 -91.000 HIS 82 0.900 22.034 -30.900 25.536 -99.200 -91.000 HIS 87 0.900 23.632 -28.211 35.640 -99.200 -91.000 HIS 89 0.900 25.193 -37.476 31.297 -99.200 -91.000 PHE 91 1.000 18.727 -34.126 40.509 -99.200 -91.000 HIS 93 0.900 29.194 -38.189 41.021 -99.200 -91.000 HIS 103 0.900 15.492 -34.475 30.327 -99.200 -91.000 TYR 110 0.840 9.851 -31.169 32.806 -99.200 -91.000 PHE 141 1.000 5.155 16.011 44.911 -99.200 -91.000 PHE 153 1.000 7.294 25.409 31.763 -99.200 -91.000 HIS 155 0.900 4.669 24.343 20.748 -99.200 -91.000 PHE 156 1.000 11.192 23.583 29.350 -99.200 -91.000 TRP 171 1.040 5.386 13.209 35.803 -99.200 -91.000 TRP6 171 1.020 6.328 14.387 37.628 -99.200 -91.000 PHE 191 1.000 5.115 -25.264 33.993 -99.200 -91.000 PHE 204 1.000 6.789 -36.689 28.595 -99.200 -91.000 PHE 208 1.000 2.199 -41.897 31.600 -99.200 -91.000 HIS 213 0.900 -7.354 -39.684 32.243 -99.200 -91.000 PHE 228 1.000 3.571 -20.853 35.392 -99.200 -91.000 PHE 232 1.000 1.876 -21.536 25.791 -99.200 -91.000 TYR 239 0.840 8.575 -19.694 26.593 -99.200 -91.000 HIS 259 0.900 14.252 9.066 28.337 -99.200 -91.000 PHE 278 1.000 17.041 18.987 50.398 -99.200 -91.000 TYR 280 0.840 22.724 28.008 43.756 -99.200 -91.000 HIS 296 0.900 20.371 -2.256 27.639 -99.200 -91.000 TRP 312 1.040 14.130 -20.588 9.973 -99.200 -91.000 TRP6 312 1.020 16.283 -21.229 9.267 -99.200 -91.000 PHE 313 1.000 9.610 -25.654 8.840 -99.200 -91.000 PHE 331 1.000 11.390 -9.539 33.835 -99.200 -91.000 TYR 351 0.840 13.798 24.245 46.499 -99.200 -91.000 PHE 365 1.000 4.293 39.082 29.042 -99.200 -91.000 HIS 386 0.900 -7.087 42.213 21.782 -99.200 -91.000 TYR 418 0.840 -8.708 52.166 27.915 -99.200 -91.000 PHE 419 1.000 -5.546 49.004 30.689 -99.200 -91.000 HIS 423 0.900 -5.806 51.819 37.573 -99.200 -91.000 HIS 428 0.900 -11.139 38.000 43.060 -99.200 -91.000 PHE 435 1.000 -5.417 33.817 35.569 -99.200 -91.000 PHE 446 1.000 -5.100 9.452 37.873 -99.200 -91.000 TYR 452 0.840 -6.581 7.147 46.809 -99.200 -91.000 TYR 458 0.840 0.096 -4.521 44.040 -99.200 -91.000