============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TRP 4 1.040 -7.169 9.095 -20.452 -99.200 -91.000 TRP6 4 1.020 -7.060 9.861 -18.221 -99.200 -91.000 TYR 5 0.840 -13.661 6.145 -18.345 -99.200 -91.000 TYR 22 0.840 -4.060 38.065 -13.014 -99.200 -91.000 HIS 30 0.900 -9.277 39.948 -4.516 -99.200 -91.000 PHE 33 1.000 -7.507 36.502 -10.069 -99.200 -91.000 TYR 38 0.840 -1.714 36.277 -2.955 -99.200 -91.000 TYR 44 0.840 6.350 26.879 -0.379 -99.200 -91.000 PHE 45 1.000 1.350 28.514 -0.310 -99.200 -91.000 TYR 52 0.840 0.140 14.194 -3.791 -99.200 -91.000 HIS 54 0.900 -2.590 7.302 -4.933 -99.200 -91.000 PHE 63 1.000 -0.326 27.590 5.648 -99.200 -91.000 TRP 71 1.040 -7.226 29.535 10.049 -99.200 -91.000 TRP6 71 1.020 -8.781 28.166 8.887 -99.200 -91.000 TYR 75 0.840 -12.008 28.751 13.239 -99.200 -91.000 TYR 82 0.840 -19.524 28.902 9.065 -99.200 -91.000 HIS 85 0.900 -26.033 34.634 7.642 -99.200 -91.000 TYR 90 0.840 -20.793 24.498 7.113 -99.200 -91.000 TYR 100 0.840 -12.691 13.550 17.781 -99.200 -91.000 TYR 103 0.840 -10.945 22.818 10.467 -99.200 -91.000 PHE 117 1.000 -12.271 14.667 10.788 -99.200 -91.000 PHE 124 1.000 -14.876 12.355 -0.839 -99.200 -91.000 TYR 132 0.840 -13.006 26.627 -10.806 -99.200 -91.000 PHE 138 1.000 -13.579 19.474 -7.181 -99.200 -91.000 PHE 144 1.000 -10.859 6.999 -9.503 -99.200 -91.000 PHE 147 1.000 -12.053 19.220 -1.363 -99.200 -91.000 HIS 148 0.900 -8.247 16.462 -7.808 -99.200 -91.000 TYR 152 0.840 -4.076 29.288 -4.052 -99.200 -91.000 HIS 155 0.900 -3.388 40.879 -1.208 -99.200 -91.000 TYR 161 0.840 -15.286 37.264 -4.157 -99.200 -91.000 HIS 169 0.900 -14.413 27.001 -1.726 -99.200 -91.000 HIS 174 0.900 -15.861 22.022 -1.467 -99.200 -91.000 PHE 183 1.000 -22.185 16.915 0.489 -99.200 -91.000 PHE 186 1.000 -25.118 14.787 -3.870 -99.200 -91.000 TYR 209 0.840 -19.892 19.475 -7.293 -99.200 -91.000 PHE 210 1.000 -19.987 27.920 -9.954 -99.200 -91.000 PHE 211 1.000 -25.010 28.725 -10.920 -99.200 -91.000 PHE 215 1.000 -20.550 30.136 -5.457 -99.200 -91.000 TYR 227 0.840 -27.183 23.064 -0.853 -99.200 -91.000 HIS 240 0.900 -25.621 39.980 -2.471 -99.200 -91.000 PHE 251 1.000 -30.744 22.058 -8.932 -99.200 -91.000 PHE 266 1.000 -20.381 39.252 -3.396 -99.200 -91.000 TYR 270 0.840 -26.326 33.953 -4.568 -99.200 -91.000 PHE 271 1.000 -30.329 28.879 -10.541 -99.200 -91.000 PHE 276 1.000 -27.746 18.923 2.526 -99.200 -91.000 PHE 286 1.000 -29.032 17.435 -15.265 -99.200 -91.000 PHE 294 1.000 -18.987 4.259 -20.295 -99.200 -91.000 TYR 298 0.840 -13.442 3.553 -6.258 -99.200 -91.000 TYR 301 0.840 -13.315 -4.305 -0.170 -99.200 -91.000