============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 8 0.840 2.177 40.025 36.829 -99.200 -91.000 TYR 20 0.840 -5.300 31.108 30.934 -99.200 -91.000 PHE 22 1.000 -2.631 36.101 31.922 -99.200 -91.000 PHE 40 1.000 -4.140 43.857 27.884 -99.200 -91.000 PHE 51 1.000 4.916 51.639 30.416 -99.200 -91.000 PHE 58 1.000 7.366 58.429 21.843 -99.200 -91.000 PHE 77 1.000 -2.838 57.633 30.390 -99.200 -91.000 HIS 79 0.900 -0.600 52.075 39.352 -99.200 -91.000 TYR 85 0.840 -10.547 50.001 30.238 -99.200 -91.000 HIS 92 0.900 7.781 42.697 32.308 -99.200 -91.000 HIS 95 0.900 14.521 42.310 25.652 -99.200 -91.000 TYR 104 0.840 13.410 50.965 32.383 -99.200 -91.000 PHE 124 1.000 6.635 50.159 35.900 -99.200 -91.000 HIS 127 0.900 10.531 46.848 37.623 -99.200 -91.000 TRP 129 1.040 19.464 40.155 35.214 -99.200 -91.000 TRP6 129 1.020 21.094 41.541 34.202 -99.200 -91.000 TYR 167 0.840 18.283 26.962 18.311 -99.200 -91.000 PHE 173 1.000 15.932 25.611 29.264 -99.200 -91.000 HIS 185 0.900 14.448 29.917 47.557 -99.200 -91.000 TYR 188 0.840 12.796 31.725 38.271 -99.200 -91.000 PHE 194 1.000 10.398 29.668 21.701 -99.200 -91.000 HIS 198 0.900 12.990 40.843 20.581 -99.200 -91.000 TYR 201 0.840 12.225 39.382 10.782 -99.200 -91.000 PHE 233 1.000 13.076 26.526 34.052 -99.200 -91.000 PHE 235 1.000 10.202 27.628 29.512 -99.200 -91.000 PHE 237 1.000 6.596 32.961 21.041 -99.200 -91.000 HIS 238 0.900 11.413 38.870 25.589 -99.200 -91.000 TYR 254 0.840 6.200 21.808 24.159 -99.200 -91.000 TYR 267 0.840 0.691 47.024 9.001 -99.200 -91.000 PHE 269 1.000 -1.247 54.259 17.837 -99.200 -91.000 HIS 276 0.900 -7.390 61.128 9.425 -99.200 -91.000 PHE 278 1.000 -0.755 57.398 2.554 -99.200 -91.000 TYR 281 0.840 -4.866 65.271 -1.619 -99.200 -91.000 TYR 297 0.840 -5.382 71.429 10.823 -99.200 -91.000 TYR 302 0.840 -3.663 61.997 13.273 -99.200 -91.000 HIS 322 0.900 -6.462 28.833 22.828 -99.200 -91.000 HIS 330 0.900 -13.548 34.092 37.036 -99.200 -91.000 HIS 331 0.900 -18.131 43.330 35.203 -99.200 -91.000 HIS 332 0.900 -17.262 35.259 32.789 -99.200 -91.000