============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 12 1.040 -0.485 24.526 52.512 -99.200 -91.000 TRP6 12 1.020 -2.489 24.442 51.262 -99.200 -91.000 TRP 14 1.040 -4.985 24.597 57.455 -99.200 -91.000 TRP6 14 1.020 -5.928 26.206 56.009 -99.200 -91.000 TYR 24 0.840 14.916 15.027 67.648 -99.200 -91.000 TRP 25 1.040 10.279 18.675 73.444 -99.200 -91.000 TRP6 25 1.020 8.562 17.389 74.455 -99.200 -91.000 HIS 27 0.900 6.136 15.855 62.141 -99.200 -91.000 PHE 28 1.000 3.523 12.047 67.606 -99.200 -91.000 HIS 35 0.900 -11.785 27.134 69.767 -99.200 -91.000 TRP 38 1.040 -10.868 22.664 71.632 -99.200 -91.000 TRP6 38 1.020 -10.978 20.579 72.745 -99.200 -91.000 HIS 44 0.900 -2.763 7.128 62.455 -99.200 -91.000 HIS 64 0.900 12.691 25.865 55.790 -99.200 -91.000 TYR 66 0.840 12.435 18.524 64.123 -99.200 -91.000 TYR 67 0.840 16.304 24.343 60.856 -99.200 -91.000 HIS 80 0.900 -15.652 8.190 67.579 -99.200 -91.000 PHE 83 1.000 -7.642 4.383 66.372 -99.200 -91.000 TYR 84 0.840 -7.583 -2.438 69.170 -99.200 -91.000 HIS 108 0.900 -6.153 31.622 59.001 -99.200 -91.000 PHE 119 1.000 -14.926 18.090 51.170 -99.200 -91.000 TRP 126 1.040 -3.869 21.865 46.603 -99.200 -91.000 TRP6 126 1.020 -1.837 22.044 45.427 -99.200 -91.000 TRP 130 1.040 7.080 20.201 58.297 -99.200 -91.000 TRP6 130 1.020 5.214 20.932 59.554 -99.200 -91.000 PHE 141 1.000 14.704 18.263 59.110 -99.200 -91.000 HIS 154 0.900 -20.254 2.883 46.620 -99.200 -91.000 TYR 160 0.840 -6.918 0.551 49.526 -99.200 -91.000 HIS 161 0.900 -12.581 -5.356 48.111 -99.200 -91.000 TYR 165 0.840 -4.549 -14.507 48.239 -99.200 -91.000 TRP 203 1.040 -7.608 27.114 50.936 -99.200 -91.000 TRP6 203 1.020 -7.112 25.354 49.433 -99.200 -91.000 TRP 211 1.040 -6.500 3.106 56.551 -99.200 -91.000 TRP6 211 1.020 -6.397 1.101 55.294 -99.200 -91.000 TYR 224 0.840 -6.193 11.841 52.774 -99.200 -91.000 TYR 229 0.840 -19.575 8.291 59.852 -99.200 -91.000 TYR 230 0.840 -15.953 9.835 62.871 -99.200 -91.000 TRP 233 1.040 -16.189 12.240 69.140 -99.200 -91.000 TRP6 233 1.020 -14.014 12.896 68.528 -99.200 -91.000 HIS 235 0.900 -20.191 20.774 65.001 -99.200 -91.000 HIS 236 0.900 -21.030 15.813 73.353 -99.200 -91.000 TYR 237 0.840 -15.476 15.688 73.412 -99.200 -91.000