============================================================================= 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 14 1.000 15.326 2.693 32.934 -99.200 -91.000 TYR 15 0.840 16.843 -1.995 32.648 -99.200 -91.000 PHE 16 1.000 9.661 -3.487 26.730 -99.200 -91.000 HIS 28 0.900 14.022 -0.342 43.286 -99.200 -91.000 PHE 31 1.000 18.552 0.140 37.423 -99.200 -91.000 TYR 33 0.840 10.924 -2.668 40.917 -99.200 -91.000 PHE 42 1.000 5.972 -6.553 31.806 -99.200 -91.000 HIS 65 0.900 18.884 2.079 12.041 -99.200 -91.000 TYR 73 0.840 6.011 2.588 34.260 -99.200 -91.000 PHE 83 1.000 7.839 -3.429 19.723 -99.200 -91.000 PHE 88 1.000 4.140 -7.066 19.091 -99.200 -91.000 PHE 108 1.000 7.267 10.865 6.691 -99.200 -91.000 PHE 114 1.000 3.636 0.715 4.394 -99.200 -91.000 HIS 124 0.900 2.943 -2.416 20.236 -99.200 -91.000 TYR 129 0.840 8.739 6.206 17.772 -99.200 -91.000 TYR 154 0.840 4.289 16.320 7.692 -99.200 -91.000 PHE 166 1.000 12.803 18.364 30.065 -99.200 -91.000 TYR 174 0.840 18.978 17.025 45.512 -99.200 -91.000 HIS 189 0.900 10.596 14.572 34.282 -99.200 -91.000 TYR 209 0.840 15.228 19.895 42.562 -99.200 -91.000 TRP 212 1.040 20.674 22.012 45.677 -99.200 -91.000 TRP6 212 1.020 20.864 21.025 43.546 -99.200 -91.000 TYR 226 0.840 23.625 26.526 31.519 -99.200 -91.000 PHE 230 1.000 15.450 26.629 37.360 -99.200 -91.000 HIS 231 0.900 9.467 20.538 31.065 -99.200 -91.000 TYR 235 0.840 5.534 12.529 36.919 -99.200 -91.000 PHE 242 1.000 -0.881 24.278 47.164 -99.200 -91.000 TYR 251 0.840 3.747 25.382 45.310 -99.200 -91.000 PHE 262 1.000 18.957 30.654 36.371 -99.200 -91.000 HIS 263 0.900 9.631 30.851 31.462 -99.200 -91.000 TRP 300 1.040 -6.933 13.171 32.198 -99.200 -91.000 TRP6 300 1.020 -8.366 11.361 31.857 -99.200 -91.000 PHE 309 1.000 -10.769 19.068 24.602 -99.200 -91.000 PHE 310 1.000 -5.630 18.825 27.181 -99.200 -91.000 HIS 317 0.900 1.243 29.271 29.683 -99.200 -91.000 TYR 336 0.840 -4.610 22.245 15.530 -99.200 -91.000 TYR 344 0.840 8.737 17.676 26.428 -99.200 -91.000