============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 5 1.000 16.281 23.918 6.478 -99.200 -91.000 HIS 19 0.900 29.253 15.552 -11.103 -99.200 -91.000 PHE 30 1.000 13.018 8.113 -12.511 -99.200 -91.000 PHE 34 1.000 22.496 10.417 -8.881 -99.200 -91.000 HIS 37 0.900 26.677 23.240 -8.214 -99.200 -91.000 TRP 43 1.040 17.961 19.494 14.646 -99.200 -91.000 TRP6 43 1.020 17.720 17.644 16.119 -99.200 -91.000 TRP 48 1.040 16.529 22.380 11.592 -99.200 -91.000 TRP6 48 1.020 17.004 20.582 10.106 -99.200 -91.000 PHE 56 1.000 26.000 13.830 -6.481 -99.200 -91.000 HIS 62 0.900 30.309 6.945 14.777 -99.200 -91.000 HIS 69 0.900 24.288 0.448 12.850 -99.200 -91.000 TYR 70 0.840 19.132 0.604 15.686 -99.200 -91.000 PHE 75 1.000 11.640 7.644 -0.643 -99.200 -91.000 PHE 81 1.000 7.029 17.993 -14.716 -99.200 -91.000 PHE 91 1.000 1.306 18.320 -10.463 -99.200 -91.000 TRP 94 1.040 3.349 25.592 -2.194 -99.200 -91.000 TRP6 94 1.020 2.643 25.753 -4.462 -99.200 -91.000 PHE 111 1.000 11.698 19.951 6.833 -99.200 -91.000 TRP 130 1.040 23.518 19.507 -14.606 -99.200 -91.000 TRP6 130 1.020 24.380 17.367 -15.185 -99.200 -91.000 TYR 140 0.840 12.603 11.385 -8.479 -99.200 -91.000 PHE 163 1.000 21.051 12.858 1.459 -99.200 -91.000 TYR 172 0.840 6.876 4.944 -16.503 -99.200 -91.000 PHE 173 1.000 3.521 5.418 -20.300 -99.200 -91.000 PHE 189 1.000 6.386 -12.433 -1.005 -99.200 -91.000 TRP 193 1.040 -1.950 -5.376 9.809 -99.200 -91.000 TRP6 193 1.020 -2.121 -7.499 8.735 -99.200 -91.000 TYR 200 0.840 3.136 8.664 8.603 -99.200 -91.000 TYR 206 0.840 9.045 3.190 -0.541 -99.200 -91.000 TRP 226 1.040 2.846 -3.570 -3.351 -99.200 -91.000 TRP6 226 1.020 4.169 -5.215 -2.257 -99.200 -91.000 TYR 228 0.840 -4.284 -4.245 5.221 -99.200 -91.000 HIS 232 0.900 -6.804 -12.273 -1.141 -99.200 -91.000 PHE 243 1.000 -6.796 7.627 -8.826 -99.200 -91.000 TYR 245 0.840 -14.070 6.166 -16.336 -99.200 -91.000 TRP 246 1.040 -15.732 0.606 -10.402 -99.200 -91.000 TRP6 246 1.020 -15.163 -1.386 -9.233 -99.200 -91.000 HIS 248 0.900 -19.838 0.476 -6.571 -99.200 -91.000 TRP 280 1.040 -12.452 17.559 -15.645 -99.200 -91.000 TRP6 280 1.020 -11.320 15.504 -16.029 -99.200 -91.000 PHE 283 1.000 -15.447 10.791 -14.232 -99.200 -91.000 PHE 308 1.000 -6.521 5.914 -13.854 -99.200 -91.000 HIS 320 0.900 -1.076 -5.619 -20.361 -99.200 -91.000 TYR 324 0.840 -6.859 -12.989 -6.712 -99.200 -91.000 HIS 330 0.900 -6.779 -12.025 -20.659 -99.200 -91.000 PHE 344 1.000 -7.779 11.791 -14.404 -99.200 -91.000 TYR 353 0.840 6.640 18.716 -19.943 -99.200 -91.000 HIS 358 0.900 -4.393 24.292 -12.104 -99.200 -91.000 TRP 360 1.040 -3.232 22.050 -8.670 -99.200 -91.000 TRP6 360 1.020 -4.226 20.307 -9.946 -99.200 -91.000 PHE 362 1.000 7.792 27.682 -5.803 -99.200 -91.000