============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 0.508 7.474 -1.296 -99.200 -91.000 TRP6 14 1.020 1.815 9.430 -1.526 -99.200 -91.000 PHE 19 1.000 -17.536 0.528 1.534 -99.200 -91.000 TRP 37 1.040 -2.964 0.487 -14.912 -99.200 -91.000 TRP6 37 1.020 -3.624 -1.766 -15.208 -99.200 -91.000 HIS 43 0.900 -4.261 -10.739 2.146 -99.200 -91.000 TYR 47 0.840 -6.866 -17.101 2.521 -99.200 -91.000 TRP 49 1.040 -10.441 -17.394 5.871 -99.200 -91.000 TRP6 49 1.020 -9.414 -15.354 6.486 -99.200 -91.000 PHE 53 1.000 -14.552 -10.043 -2.040 -99.200 -91.000 HIS 65 0.900 -8.709 12.697 7.684 -99.200 -91.000 TYR 70 0.840 -20.530 10.662 -1.067 -99.200 -91.000 TYR 84 0.840 -5.727 -7.084 -15.462 -99.200 -91.000 HIS 86 0.900 3.082 -13.036 -9.768 -99.200 -91.000 TYR 89 0.840 -2.586 -15.094 -3.790 -99.200 -91.000 TRP 91 1.040 -4.856 -19.703 -3.915 -99.200 -91.000 TRP6 91 1.020 -5.977 -21.676 -3.250 -99.200 -91.000 PHE 110 1.000 -3.516 11.901 -10.914 -99.200 -91.000 TYR 113 0.840 -8.606 17.415 -0.419 -99.200 -91.000 HIS 115 0.900 0.205 13.835 -7.088 -99.200 -91.000 TYR 132 0.840 18.326 3.198 5.281 -99.200 -91.000 TRP 139 1.040 -9.540 4.792 6.656 -99.200 -91.000 TRP6 139 1.020 -8.855 4.833 4.394 -99.200 -91.000 PHE 178 1.000 9.278 -4.702 2.710 -99.200 -91.000 TYR 182 0.840 9.726 0.957 16.292 -99.200 -91.000 PHE 201 1.000 7.498 -0.357 4.835 -99.200 -91.000 PHE 207 1.000 19.206 8.615 -2.566 -99.200 -91.000 TRP 211 1.040 6.096 11.049 0.603 -99.200 -91.000 TRP6 211 1.020 6.363 10.120 2.759 -99.200 -91.000 TYR 212 0.840 10.803 6.726 -5.361 -99.200 -91.000 TRP 219 1.040 2.655 -13.226 5.318 -99.200 -91.000 TRP6 219 1.020 3.681 -14.278 7.170 -99.200 -91.000 TYR 229 0.840 10.145 -8.678 14.121 -99.200 -91.000 PHE 231 1.000 7.079 -11.897 7.941 -99.200 -91.000 TYR 232 0.840 4.746 -4.328 5.795 -99.200 -91.000 HIS 234 0.900 11.812 -6.235 -2.615 -99.200 -91.000 PHE 236 1.000 13.620 -3.562 -8.519 -99.200 -91.000 TRP 241 1.040 2.025 -10.136 -12.705 -99.200 -91.000 TRP6 241 1.020 0.615 -8.795 -11.358 -99.200 -91.000 PHE 249 1.000 -4.360 -0.985 -20.915 -99.200 -91.000