============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 35 1.000 -5.466 37.947 -5.555 -99.200 -91.000 PHE 49 1.000 0.929 33.978 -18.798 -99.200 -91.000 PHE 67 1.000 -5.178 28.812 -14.823 -99.200 -91.000 HIS 68 0.900 -12.385 24.067 -10.911 -99.200 -91.000 TYR 73 0.840 0.874 29.088 -17.993 -99.200 -91.000 PHE 81 1.000 22.604 27.108 -19.766 -99.200 -91.000 TRP 82 1.040 20.651 31.551 -18.742 -99.200 -91.000 TRP6 82 1.020 21.538 30.842 -16.677 -99.200 -91.000 TYR 86 0.840 7.379 33.191 -13.877 -99.200 -91.000 TYR 99 0.840 -6.511 36.372 8.931 -99.200 -91.000 PHE 101 1.000 -1.054 34.357 11.605 -99.200 -91.000 TYR 110 0.840 11.288 34.618 1.135 -99.200 -91.000 TYR 111 0.840 9.215 29.240 8.015 -99.200 -91.000 PHE 113 1.000 3.663 32.546 8.619 -99.200 -91.000 TRP 124 1.040 -1.367 35.984 5.963 -99.200 -91.000 TRP6 124 1.020 -2.129 37.911 7.100 -99.200 -91.000 TYR 131 0.840 17.320 40.286 6.830 -99.200 -91.000 TYR 142 0.840 15.068 35.281 4.627 -99.200 -91.000 PHE 145 1.000 11.466 33.572 13.259 -99.200 -91.000 PHE 147 1.000 8.575 30.015 19.003 -99.200 -91.000 PHE 165 1.000 30.042 47.898 4.650 -99.200 -91.000 PHE 166 1.000 27.518 43.773 1.262 -99.200 -91.000 PHE 178 1.000 2.988 43.644 3.377 -99.200 -91.000 PHE 182 1.000 9.197 43.701 -0.102 -99.200 -91.000 PHE 196 1.000 1.211 48.378 4.093 -99.200 -91.000 PHE 200 1.000 -13.604 42.004 4.418 -99.200 -91.000 HIS 202 0.900 -18.547 39.765 3.708 -99.200 -91.000 TYR 206 0.840 -15.503 45.086 17.453 -99.200 -91.000 TYR 210 0.840 -5.928 35.359 22.574 -99.200 -91.000 TYR 211 0.840 0.343 42.014 22.323 -99.200 -91.000 TYR 213 0.840 7.222 44.316 21.151 -99.200 -91.000 PHE 219 1.000 13.789 53.087 19.198 -99.200 -91.000 TYR 236 0.840 -0.720 49.354 10.225 -99.200 -91.000 TYR 239 0.840 -6.715 50.567 0.130 -99.200 -91.000 PHE 254 1.000 -1.361 53.857 10.169 -99.200 -91.000 TRP 274 1.040 0.396 32.663 23.590 -99.200 -91.000 TRP6 274 1.020 1.088 33.485 21.501 -99.200 -91.000 TYR 276 0.840 -9.499 39.027 22.645 -99.200 -91.000 PHE 277 1.000 -4.521 41.482 18.278 -99.200 -91.000 PHE 281 1.000 -11.235 47.119 10.686 -99.200 -91.000 HIS 282 0.900 -11.534 54.441 16.200 -99.200 -91.000 TYR 287 0.840 -22.481 55.468 4.892 -99.200 -91.000 TYR 298 0.840 -15.660 50.919 -0.110 -99.200 -91.000 PHE 304 1.000 -0.907 40.695 12.335 -99.200 -91.000 HIS 312 0.900 9.225 56.372 8.158 -99.200 -91.000 PHE 313 1.000 15.029 52.002 6.894 -99.200 -91.000 TYR 330 0.840 -17.411 38.802 7.555 -99.200 -91.000