============================================================================= 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. TYR 2 0.840 26.155 22.537 0.619 -99.200 -91.000 TYR 15 0.840 24.147 12.630 15.991 -99.200 -91.000 TYR 18 0.840 17.913 19.840 11.566 -99.200 -91.000 PHE 29 1.000 14.841 12.530 -0.130 -99.200 -91.000 HIS 30 0.900 13.354 16.553 -0.549 -99.200 -91.000 TYR 35 0.840 24.366 15.665 -12.221 -99.200 -91.000 PHE 43 1.000 27.082 12.044 -9.969 -99.200 -91.000 TRP 52 1.040 37.794 1.091 9.231 -99.200 -91.000 TRP6 52 1.020 39.761 2.284 8.677 -99.200 -91.000 PHE 79 1.000 24.986 2.044 18.401 -99.200 -91.000 PHE 84 1.000 38.349 -12.322 11.131 -99.200 -91.000 HIS 86 0.900 34.944 -7.042 6.095 -99.200 -91.000 HIS 87 0.900 36.109 -1.038 14.124 -99.200 -91.000 TYR 89 0.840 27.682 1.148 7.680 -99.200 -91.000 HIS 91 0.900 32.400 0.249 1.317 -99.200 -91.000 TYR 93 0.840 26.011 3.181 3.232 -99.200 -91.000 PHE 96 1.000 25.955 10.185 -5.825 -99.200 -91.000 TRP 100 1.040 11.934 8.235 -3.365 -99.200 -91.000 TRP6 100 1.020 9.795 8.263 -4.371 -99.200 -91.000 HIS 107 0.900 11.121 -1.156 -11.424 -99.200 -91.000 TYR 130 0.840 32.512 16.815 8.085 -99.200 -91.000 TRP 153 1.040 20.061 0.289 -8.536 -99.200 -91.000 TRP6 153 1.020 21.254 -0.974 -10.135 -99.200 -91.000 TYR 177 0.840 45.790 3.184 -9.163 -99.200 -91.000 PHE 178 1.000 41.253 2.705 -3.457 -99.200 -91.000 TRP 188 1.040 30.705 -4.331 5.856 -99.200 -91.000 TRP6 188 1.020 28.717 -3.075 5.962 -99.200 -91.000 PHE 189 1.000 27.106 -2.588 1.451 -99.200 -91.000 TYR 192 0.840 24.482 -4.408 6.013 -99.200 -91.000 PHE 203 1.000 26.307 -7.046 -3.433 -99.200 -91.000 PHE 205 1.000 23.690 -6.393 -12.334 -99.200 -91.000 TYR 214 0.840 24.112 -1.165 -15.418 -99.200 -91.000 HIS 223 0.900 18.359 14.899 -10.441 -99.200 -91.000 TRP 226 1.040 14.563 14.726 -5.256 -99.200 -91.000 TRP6 226 1.020 15.040 16.711 -6.444 -99.200 -91.000 TYR 253 0.840 10.985 28.526 -2.385 -99.200 -91.000 TRP 279 1.040 35.897 -8.449 14.230 -99.200 -91.000 TRP6 279 1.020 38.256 -8.537 14.223 -99.200 -91.000 PHE 280 1.000 28.047 -10.477 16.568 -99.200 -91.000 PHE 281 1.000 35.910 -14.135 14.614 -99.200 -91.000