============================================================================= 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 13.690 40.849 52.588 -99.200 -91.000 TRP6 14 1.020 14.904 42.754 51.910 -99.200 -91.000 PHE 19 1.000 9.694 28.897 67.629 -99.200 -91.000 TRP 37 1.040 -0.827 44.573 57.081 -99.200 -91.000 TRP6 37 1.020 -2.645 43.052 57.148 -99.200 -91.000 HIS 43 0.900 2.877 25.365 51.623 -99.200 -91.000 TYR 47 0.840 -1.456 20.135 52.226 -99.200 -91.000 TRP 49 1.040 0.605 16.604 54.894 -99.200 -91.000 TRP6 49 1.020 2.656 17.740 54.619 -99.200 -91.000 PHE 53 1.000 -0.098 25.334 62.542 -99.200 -91.000 HIS 65 0.900 23.162 34.950 60.534 -99.200 -91.000 TYR 70 0.840 15.111 35.931 72.962 -99.200 -91.000 TYR 84 0.840 -6.985 39.312 57.351 -99.200 -91.000 HIS 86 0.900 -6.618 34.261 46.606 -99.200 -91.000 TYR 89 0.840 -4.097 26.996 50.159 -99.200 -91.000 TRP 91 1.040 -7.741 23.404 51.004 -99.200 -91.000 TRP6 91 1.020 -8.904 21.376 51.338 -99.200 -91.000 PHE 110 1.000 9.976 48.935 59.501 -99.200 -91.000 TYR 113 0.840 20.969 43.665 63.511 -99.200 -91.000 HIS 115 0.900 14.113 48.815 55.820 -99.200 -91.000 TYR 132 0.840 16.011 38.978 33.200 -99.200 -91.000 TRP 139 1.040 16.770 30.441 59.908 -99.200 -91.000 TRP6 139 1.020 15.235 32.229 59.726 -99.200 -91.000 PHE 176 1.000 8.462 32.747 40.312 -99.200 -91.000 TYR 180 0.840 21.872 27.371 38.856 -99.200 -91.000 PHE 199 1.000 12.797 33.719 42.702 -99.200 -91.000 PHE 205 1.000 14.702 48.351 35.132 -99.200 -91.000 TRP 209 1.040 17.816 43.628 47.799 -99.200 -91.000 TRP6 209 1.020 18.598 41.628 46.818 -99.200 -91.000 TYR 210 0.840 10.648 46.342 43.580 -99.200 -91.000 TRP 217 1.040 3.938 23.405 44.082 -99.200 -91.000 TRP6 217 1.020 4.490 21.830 42.406 -99.200 -91.000 TYR 227 0.840 13.693 22.693 36.579 -99.200 -91.000 PHE 229 1.000 6.835 23.943 39.629 -99.200 -91.000 TYR 230 0.840 10.627 29.520 44.250 -99.200 -91.000 HIS 232 0.900 3.540 36.068 38.719 -99.200 -91.000 PHE 234 1.000 1.468 42.726 38.898 -99.200 -91.000 TRP 239 1.040 -6.546 37.922 48.998 -99.200 -91.000 TRP6 239 1.020 -4.719 37.277 50.340 -99.200 -91.000 PHE 247 1.000 -10.545 42.567 56.452 -99.200 -91.000