============================================================================= 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. HIS 14 0.900 38.062 3.376 29.338 -99.200 -91.000 HIS 35 0.900 22.604 14.370 29.991 -99.200 -91.000 PHE 56 1.000 18.645 -3.411 27.308 -99.200 -91.000 PHE 65 1.000 8.063 -3.695 31.063 -99.200 -91.000 TYR 88 0.840 -7.602 -14.005 43.374 -99.200 -91.000 HIS 106 0.900 10.551 -10.856 44.941 -99.200 -91.000 TYR 111 0.840 14.953 -23.359 46.743 -99.200 -91.000 TYR 113 0.840 12.069 -21.123 39.132 -99.200 -91.000 PHE 118 1.000 19.798 -20.271 35.899 -99.200 -91.000 PHE 125 1.000 22.861 -19.593 28.216 -99.200 -91.000 PHE 133 1.000 12.027 -25.287 32.582 -99.200 -91.000 TYR 135 0.840 3.274 -18.567 33.359 -99.200 -91.000 HIS 145 0.900 14.729 -26.762 47.028 -99.200 -91.000 TYR 155 0.840 13.690 -8.547 49.545 -99.200 -91.000 TYR 157 0.840 14.377 -10.817 43.106 -99.200 -91.000 PHE 162 1.000 6.857 -10.179 40.634 -99.200 -91.000 HIS 175 0.900 -7.258 -11.668 27.128 -99.200 -91.000 TYR 181 0.840 4.229 -8.882 30.300 -99.200 -91.000 PHE 186 1.000 5.419 -5.063 25.989 -99.200 -91.000 PHE 195 1.000 9.886 -6.227 19.705 -99.200 -91.000 TYR 196 0.840 6.745 -12.733 27.910 -99.200 -91.000 HIS 198 0.900 7.954 -18.599 27.203 -99.200 -91.000 HIS 207 0.900 20.025 -9.258 18.397 -99.200 -91.000 TYR 211 0.840 29.304 -11.451 23.484 -99.200 -91.000 TRP 231 1.040 15.866 -19.247 32.388 -99.200 -91.000 TRP6 231 1.020 16.266 -17.441 33.951 -99.200 -91.000 PHE 248 1.000 7.204 -0.285 32.848 -99.200 -91.000 PHE 249 1.000 11.081 0.760 35.507 -99.200 -91.000 TRP 269 1.040 9.404 2.361 49.356 -99.200 -91.000 TRP6 269 1.020 9.583 1.549 47.124 -99.200 -91.000 TYR 278 0.840 11.007 -6.167 44.858 -99.200 -91.000 TYR 294 0.840 11.374 6.140 44.303 -99.200 -91.000 HIS 296 0.900 12.951 -5.450 39.592 -99.200 -91.000 TYR 303 0.840 21.644 -9.511 26.699 -99.200 -91.000 TYR 304 0.840 25.679 -8.272 35.590 -99.200 -91.000 TYR 306 0.840 22.521 -1.571 38.111 -99.200 -91.000 PHE 308 1.000 16.748 1.239 39.973 -99.200 -91.000 PHE 341 1.000 18.225 9.138 38.722 -99.200 -91.000