============================================================================= 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. PHE 6 1.000 24.042 -2.813 13.698 -99.200 -91.000 TRP 14 1.040 19.599 -8.849 30.190 -99.200 -91.000 TRP6 14 1.020 20.145 -11.047 29.520 -99.200 -91.000 PHE 15 1.000 18.786 -2.248 26.255 -99.200 -91.000 TYR 19 0.840 12.411 4.938 23.583 -99.200 -91.000 HIS 22 0.900 12.049 16.006 24.924 -99.200 -91.000 TYR 28 0.840 17.704 4.729 24.280 -99.200 -91.000 TRP 39 1.040 10.848 -3.018 41.939 -99.200 -91.000 TRP6 39 1.020 11.019 -0.790 42.703 -99.200 -91.000 HIS 45 0.900 25.014 9.075 33.605 -99.200 -91.000 PHE 47 1.000 16.533 7.720 34.652 -99.200 -91.000 TYR 50 0.840 15.378 17.599 31.793 -99.200 -91.000 TYR 56 0.840 12.493 10.258 32.702 -99.200 -91.000 TYR 59 0.840 8.116 1.446 24.054 -99.200 -91.000 PHE 75 1.000 5.775 -2.745 31.307 -99.200 -91.000 HIS 83 0.900 23.149 5.958 46.343 -99.200 -91.000 TYR 86 0.840 25.032 11.441 39.912 -99.200 -91.000 HIS 93 0.900 29.178 10.925 35.579 -99.200 -91.000 HIS 94 0.900 32.634 9.714 42.954 -99.200 -91.000 TYR 125 0.840 31.298 -5.916 49.521 -99.200 -91.000 PHE 130 1.000 39.807 -7.483 39.345 -99.200 -91.000 PHE 139 1.000 17.982 0.349 21.084 -99.200 -91.000 TYR 147 0.840 23.955 14.267 13.283 -99.200 -91.000 TYR 149 0.840 21.840 8.112 21.090 -99.200 -91.000 HIS 163 0.900 40.202 0.074 42.434 -99.200 -91.000 HIS 170 0.900 50.727 7.372 31.010 -99.200 -91.000 TYR 171 0.840 45.078 1.545 32.081 -99.200 -91.000 TYR 172 0.840 39.306 6.083 33.220 -99.200 -91.000 TRP 188 1.040 43.496 -0.500 24.470 -99.200 -91.000 TRP6 188 1.020 42.518 -0.047 26.571 -99.200 -91.000 TRP 217 1.040 32.765 6.955 35.507 -99.200 -91.000 TRP6 217 1.020 35.095 7.349 35.366 -99.200 -91.000 TYR 230 0.840 31.052 -1.034 32.040 -99.200 -91.000 HIS 235 0.900 31.603 -3.451 46.259 -99.200 -91.000 PHE 236 1.000 26.345 1.208 44.489 -99.200 -91.000 TRP 239 1.040 20.332 2.894 47.309 -99.200 -91.000 TRP6 239 1.020 19.451 2.772 45.114 -99.200 -91.000 HIS 243 0.900 16.242 3.073 48.308 -99.200 -91.000