============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 17 1.000 -15.697 -1.578 -29.413 -99.200 -91.000 HIS 21 0.900 -3.698 -1.785 -19.620 -99.200 -91.000 HIS 23 0.900 -5.753 0.961 -15.062 -99.200 -91.000 PHE 31 1.000 -4.464 8.213 -1.976 -99.200 -91.000 TRP 35 1.040 -6.493 12.514 1.057 -99.200 -91.000 TRP6 35 1.020 -4.155 12.825 0.821 -99.200 -91.000 PHE 38 1.000 -5.263 12.702 -5.120 -99.200 -91.000 PHE 39 1.000 -9.040 9.310 -5.838 -99.200 -91.000 PHE 70 1.000 -3.005 -5.240 -2.023 -99.200 -91.000 HIS 89 0.900 -21.718 -7.379 -19.557 -99.200 -91.000 TRP 97 1.040 1.210 -0.908 -12.325 -99.200 -91.000 TRP6 97 1.020 1.320 1.016 -10.964 -99.200 -91.000 PHE 98 1.000 5.084 0.776 -12.353 -99.200 -91.000 PHE 115 1.000 -3.381 -11.393 -3.504 -99.200 -91.000 PHE 116 1.000 -0.475 -13.015 -8.444 -99.200 -91.000 TYR 122 0.840 -13.171 -17.244 -0.646 -99.200 -91.000 PHE 144 1.000 7.284 -9.201 -5.408 -99.200 -91.000 HIS 166 0.900 3.583 -0.519 -17.106 -99.200 -91.000 PHE 181 1.000 4.304 -13.951 -18.858 -99.200 -91.000 HIS 195 0.900 0.809 -0.051 -20.752 -99.200 -91.000 TYR 204 0.840 8.922 -5.276 -28.354 -99.200 -91.000 TYR 213 0.840 4.234 -14.372 -26.174 -99.200 -91.000 HIS 219 0.900 0.191 3.501 -22.660 -99.200 -91.000 TYR 222 0.840 -1.902 6.924 -22.016 -99.200 -91.000 TRP 242 1.040 -5.253 11.131 -32.469 -99.200 -91.000 TRP6 242 1.020 -6.459 9.832 -34.030 -99.200 -91.000 TYR 257 0.840 2.173 -11.392 -37.682 -99.200 -91.000 TRP 267 1.040 -9.465 8.389 -20.203 -99.200 -91.000 TRP6 267 1.020 -7.614 9.357 -21.289 -99.200 -91.000 PHE 269 1.000 -14.146 6.742 -16.333 -99.200 -91.000 PHE 271 1.000 -2.753 8.438 -13.345 -99.200 -91.000 TYR 274 0.840 3.125 11.180 -13.461 -99.200 -91.000 PHE 292 1.000 -8.409 8.390 -29.277 -99.200 -91.000 PHE 300 1.000 -5.911 7.371 -38.349 -99.200 -91.000 PHE 322 1.000 -5.805 -11.790 -23.331 -99.200 -91.000