============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 7 0.840 39.093 12.369 -62.395 -99.200 -91.000 HIS 8 0.900 44.326 17.997 -56.933 -99.200 -91.000 HIS 28 0.900 45.077 15.261 -51.540 -99.200 -91.000 HIS 37 0.900 61.183 3.154 -31.041 -99.200 -91.000 HIS 51 0.900 67.199 2.090 -15.621 -99.200 -91.000 TRP 60 1.040 64.848 -1.100 -5.219 -99.200 -91.000 TRP6 60 1.020 62.515 -1.460 -5.163 -99.200 -91.000 TRP 75 1.040 57.868 1.953 -8.612 -99.200 -91.000 TRP6 75 1.020 58.663 2.081 -6.385 -99.200 -91.000 TYR 77 0.840 57.966 2.616 -17.204 -99.200 -91.000 TYR 90 0.840 73.758 -17.293 2.562 -99.200 -91.000 PHE 94 1.000 62.415 -12.213 -2.821 -99.200 -91.000 TYR 97 0.840 62.128 -11.924 -7.710 -99.200 -91.000 PHE 109 1.000 59.227 1.450 -1.736 -99.200 -91.000 PHE 112 1.000 58.083 1.039 8.450 -99.200 -91.000 PHE 115 1.000 60.666 -6.055 13.849 -99.200 -91.000 TRP 121 1.040 67.217 -7.102 16.466 -99.200 -91.000 TRP6 121 1.020 65.118 -8.202 16.470 -99.200 -91.000 HIS 124 0.900 68.685 -13.131 19.923 -99.200 -91.000 HIS 136 0.900 79.320 -1.314 0.699 -99.200 -91.000 PHE 142 1.000 72.139 -10.625 5.664 -99.200 -91.000 TYR 143 0.840 70.527 -10.277 0.895 -99.200 -91.000 TRP 148 1.040 72.682 -14.724 9.167 -99.200 -91.000 TRP6 148 1.020 74.147 -15.402 7.444 -99.200 -91.000 TYR 156 0.840 69.086 -16.930 17.896 -99.200 -91.000 TYR 163 0.840 55.415 -2.121 12.031 -99.200 -91.000 TRP 175 1.040 60.175 -14.050 6.991 -99.200 -91.000 TRP6 175 1.020 58.084 -13.113 6.393 -99.200 -91.000 HIS 178 0.900 72.096 -19.729 7.319 -99.200 -91.000 HIS 179 0.900 66.207 -23.554 5.104 -99.200 -91.000 TYR 190 0.840 71.599 -19.377 13.045 -99.200 -91.000 TYR 196 0.840 60.254 -22.081 17.582 -99.200 -91.000 PHE 198 1.000 53.825 -18.564 13.870 -99.200 -91.000 TYR 204 0.840 53.656 -15.799 5.921 -99.200 -91.000 PHE 208 1.000 58.920 -19.572 7.426 -99.200 -91.000 TYR 227 0.840 66.857 -14.222 0.359 -99.200 -91.000 TYR 228 0.840 59.786 -18.060 3.141 -99.200 -91.000 TRP 229 1.040 56.832 -11.665 -1.165 -99.200 -91.000 TRP6 229 1.020 54.706 -10.740 -1.637 -99.200 -91.000 PHE 240 1.000 59.104 -11.199 11.319 -99.200 -91.000 TYR 251 0.840 66.504 0.624 7.192 -99.200 -91.000 PHE 253 1.000 61.431 -1.549 1.686 -99.200 -91.000 HIS 271 0.900 67.036 9.912 -22.499 -99.200 -91.000 PHE 290 1.000 44.460 -0.878 -36.160 -99.200 -91.000 HIS 294 0.900 58.328 -5.175 -27.461 -99.200 -91.000 TYR 304 0.840 52.992 -6.036 -32.360 -99.200 -91.000