============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 4 1.000 15.103 -1.720 27.514 -99.200 -91.000 PHE 6 1.000 21.353 -3.090 23.793 -99.200 -91.000 PHE 32 1.000 16.103 6.889 10.651 -99.200 -91.000 TYR 62 0.840 5.384 21.921 21.129 -99.200 -91.000 HIS 63 0.900 5.191 18.491 16.534 -99.200 -91.000 HIS 80 0.900 1.715 1.568 20.579 -99.200 -91.000 PHE 82 1.000 -5.605 9.463 16.966 -99.200 -91.000 TRP 85 1.040 4.404 1.333 15.037 -99.200 -91.000 TRP6 85 1.020 5.643 0.699 13.130 -99.200 -91.000 TYR 96 0.840 15.240 19.739 19.145 -99.200 -91.000 PHE 114 1.000 3.625 24.506 25.205 -99.200 -91.000 HIS 118 0.900 -1.165 24.384 25.430 -99.200 -91.000 HIS 130 0.900 0.066 5.879 31.799 -99.200 -91.000 PHE 140 1.000 10.265 18.907 29.981 -99.200 -91.000 TYR 146 0.840 27.725 24.173 18.475 -99.200 -91.000 TRP 163 1.040 13.685 20.089 35.001 -99.200 -91.000 TRP6 163 1.020 13.456 21.305 32.981 -99.200 -91.000 PHE 171 1.000 8.896 4.480 33.322 -99.200 -91.000 PHE 184 1.000 16.088 4.137 25.854 -99.200 -91.000 PHE 192 1.000 31.751 23.624 26.563 -99.200 -91.000 PHE 208 1.000 17.147 7.880 33.756 -99.200 -91.000 TYR 211 0.840 21.965 5.229 30.968 -99.200 -91.000 PHE 226 1.000 31.172 11.512 12.877 -99.200 -91.000 PHE 231 1.000 34.243 14.727 24.769 -99.200 -91.000 HIS 242 0.900 25.846 3.087 24.612 -99.200 -91.000 TYR 243 0.840 17.015 8.291 20.788 -99.200 -91.000 PHE 264 1.000 22.459 6.306 14.695 -99.200 -91.000 PHE 279 1.000 19.011 11.011 2.121 -99.200 -91.000 TRP 281 1.040 22.963 1.835 -1.592 -99.200 -91.000 TRP6 281 1.020 23.392 1.852 0.733 -99.200 -91.000 PHE 292 1.000 18.250 13.043 -11.459 -99.200 -91.000 HIS 304 0.900 17.715 -5.325 -2.410 -99.200 -91.000 TRP 311 1.040 5.557 3.898 -9.992 -99.200 -91.000 TRP6 311 1.020 5.103 2.803 -7.941 -99.200 -91.000 TYR 315 0.840 4.665 8.257 -12.134 -99.200 -91.000 HIS 317 0.900 12.040 15.989 -13.491 -99.200 -91.000 HIS 318 0.900 4.146 14.046 -14.278 -99.200 -91.000 HIS 334 0.900 15.012 5.393 -2.634 -99.200 -91.000 PHE 338 1.000 20.401 4.917 0.899 -99.200 -91.000 TYR 339 0.840 18.169 7.941 6.602 -99.200 -91.000 PHE 355 1.000 30.255 -0.177 11.366 -99.200 -91.000 PHE 358 1.000 28.208 -0.516 5.330 -99.200 -91.000 PHE 362 1.000 27.649 5.459 3.517 -99.200 -91.000 TYR 366 0.840 25.894 9.253 1.094 -99.200 -91.000 PHE 367 1.000 30.824 11.427 2.458 -99.200 -91.000