============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 37 0.840 43.978 38.669 -6.040 -99.200 -91.000 TRP 40 1.040 45.530 31.209 5.666 -99.200 -91.000 TRP6 40 1.020 43.956 29.976 6.932 -99.200 -91.000 TYR 41 0.840 44.749 39.534 7.426 -99.200 -91.000 TYR 54 0.840 51.757 38.415 0.333 -99.200 -91.000 TRP 55 1.040 49.415 37.530 -4.239 -99.200 -91.000 TRP6 55 1.020 51.527 38.073 -5.174 -99.200 -91.000 PHE 67 1.000 52.932 30.832 12.042 -99.200 -91.000 PHE 76 1.000 42.018 29.032 -0.947 -99.200 -91.000 TYR 91 0.840 46.821 31.348 14.188 -99.200 -91.000 TYR 92 0.840 39.454 36.058 13.070 -99.200 -91.000 TYR 97 0.840 37.916 36.115 -7.879 -99.200 -91.000 PHE 103 1.000 38.405 40.042 7.717 -99.200 -91.000 PHE 123 1.000 42.625 37.031 48.529 -99.200 -91.000 PHE 140 1.000 41.879 37.020 42.872 -99.200 -91.000 PHE 144 1.000 42.114 26.963 36.114 -99.200 -91.000 TYR 145 0.840 46.113 22.492 29.707 -99.200 -91.000 TRP 153 1.040 31.614 31.564 45.523 -99.200 -91.000 TRP6 153 1.020 33.199 32.425 47.057 -99.200 -91.000 TRP 168 1.040 36.211 31.082 33.629 -99.200 -91.000 TRP6 168 1.020 33.980 31.860 33.547 -99.200 -91.000 TYR 178 0.840 43.330 27.905 29.418 -99.200 -91.000 TYR 191 0.840 31.119 38.676 55.526 -99.200 -91.000 HIS 194 0.900 23.999 32.371 56.656 -99.200 -91.000 TYR 197 0.840 30.355 34.007 54.451 -99.200 -91.000 HIS 203 0.900 42.156 21.364 37.164 -99.200 -91.000 PHE 214 1.000 36.066 34.269 54.738 -99.200 -91.000