============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 16 1.000 28.044 -0.540 18.019 -99.200 -91.000 HIS 25 0.900 23.604 8.433 5.670 -99.200 -91.000 TYR 27 0.840 18.343 3.467 12.452 -99.200 -91.000 TYR 30 0.840 24.303 -3.396 10.132 -99.200 -91.000 TYR 40 0.840 14.467 -15.288 0.716 -99.200 -91.000 HIS 42 0.900 11.602 -19.663 -0.469 -99.200 -91.000 PHE 67 1.000 21.988 -15.758 14.035 -99.200 -91.000 PHE 90 1.000 18.373 1.224 30.717 -99.200 -91.000 PHE 105 1.000 21.316 12.624 30.595 -99.200 -91.000 HIS 125 0.900 7.088 18.290 30.434 -99.200 -91.000 HIS 126 0.900 10.183 13.568 24.538 -99.200 -91.000 TYR 133 0.840 3.582 8.295 32.567 -99.200 -91.000 PHE 134 1.000 12.778 2.009 30.691 -99.200 -91.000 PHE 137 1.000 5.501 6.391 27.704 -99.200 -91.000 TYR 164 0.840 -11.971 19.272 15.659 -99.200 -91.000 PHE 172 1.000 -6.859 0.518 15.149 -99.200 -91.000 HIS 188 0.900 -13.023 22.226 12.016 -99.200 -91.000 PHE 191 1.000 -4.356 23.284 9.174 -99.200 -91.000 HIS 203 0.900 -4.909 24.660 23.938 -99.200 -91.000 HIS 213 0.900 -9.966 13.526 34.815 -99.200 -91.000 PHE 214 1.000 -7.469 8.363 25.650 -99.200 -91.000 PHE 226 1.000 -0.783 15.976 23.070 -99.200 -91.000 TYR 241 0.840 -7.426 -1.138 30.577 -99.200 -91.000 HIS 243 0.900 -0.351 6.460 33.146 -99.200 -91.000 TYR 256 0.840 -8.012 11.404 5.061 -99.200 -91.000 TYR 257 0.840 -7.985 11.006 -0.182 -99.200 -91.000 TYR 262 0.840 3.841 11.332 8.325 -99.200 -91.000 PHE 263 1.000 0.276 10.171 12.345 -99.200 -91.000 PHE 269 1.000 4.342 1.826 1.772 -99.200 -91.000 HIS 276 0.900 9.346 3.360 -7.608 -99.200 -91.000 PHE 282 1.000 6.008 11.939 -10.471 -99.200 -91.000 TYR 287 0.840 2.408 19.192 5.321 -99.200 -91.000 PHE 311 1.000 0.387 3.143 -2.971 -99.200 -91.000 TYR 313 0.840 -0.116 12.007 -9.624 -99.200 -91.000 TRP 316 1.040 6.209 1.356 -6.243 -99.200 -91.000 TRP6 316 1.020 6.516 1.533 -3.900 -99.200 -91.000 TYR 318 0.840 -4.345 1.130 -2.429 -99.200 -91.000