============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 5 1.000 -11.683 17.074 18.257 -99.200 -91.000 PHE 8 1.000 -7.285 7.465 19.070 -99.200 -91.000 HIS 19 0.900 -4.903 -13.263 30.753 -99.200 -91.000 PHE 21 1.000 -4.175 -8.314 25.978 -99.200 -91.000 TYR 32 0.840 -2.948 19.207 10.154 -99.200 -91.000 PHE 50 1.000 -0.741 -7.951 29.968 -99.200 -91.000 TRP 52 1.040 -2.521 0.582 30.196 -99.200 -91.000 TRP6 52 1.020 -4.442 -0.457 29.308 -99.200 -91.000 PHE 59 1.000 -4.408 0.357 23.755 -99.200 -91.000 TYR 63 0.840 -4.566 12.267 16.543 -99.200 -91.000 HIS 66 0.900 5.791 14.575 10.996 -99.200 -91.000 TYR 73 0.840 5.086 6.749 4.487 -99.200 -91.000 PHE 78 1.000 -4.958 8.314 7.608 -99.200 -91.000 PHE 82 1.000 -0.389 5.194 9.638 -99.200 -91.000 TRP 84 1.040 0.859 1.381 13.924 -99.200 -91.000 TRP6 84 1.020 1.607 0.196 15.841 -99.200 -91.000 PHE 90 1.000 9.061 -5.332 26.519 -99.200 -91.000 PHE 109 1.000 -7.113 10.112 11.698 -99.200 -91.000 TYR 111 0.840 -5.673 4.985 15.309 -99.200 -91.000 PHE 115 1.000 1.088 -6.469 22.897 -99.200 -91.000 PHE 120 1.000 6.896 -9.618 27.979 -99.200 -91.000 TRP 134 1.040 5.926 3.349 28.051 -99.200 -91.000 TRP6 134 1.020 7.503 1.704 27.397 -99.200 -91.000 TYR 142 0.840 15.902 3.617 9.032 -99.200 -91.000 HIS 153 0.900 18.718 2.274 21.822 -99.200 -91.000 HIS 163 0.900 15.277 4.725 34.179 -99.200 -91.000 TYR 164 0.840 11.444 -4.565 31.596 -99.200 -91.000 PHE 168 1.000 8.468 0.741 21.963 -99.200 -91.000 TYR 172 0.840 6.132 4.310 11.996 -99.200 -91.000 TYR 183 0.840 19.453 9.171 10.401 -99.200 -91.000 TYR 184 0.840 11.062 12.415 10.586 -99.200 -91.000 TYR 185 0.840 17.375 11.782 15.451 -99.200 -91.000 HIS 195 0.900 -4.649 3.918 37.816 -99.200 -91.000 TYR 199 0.840 -3.220 0.729 36.178 -99.200 -91.000 TYR 205 0.840 -1.320 15.136 26.552 -99.200 -91.000 HIS 212 0.900 15.248 18.788 9.266 -99.200 -91.000 HIS 213 0.900 21.681 15.681 15.824 -99.200 -91.000 PHE 215 1.000 24.836 19.014 18.154 -99.200 -91.000