============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 14 1.040 8.493 6.223 18.579 -99.200 -91.000 TRP6 14 1.020 7.144 8.005 19.366 -99.200 -91.000 PHE 19 1.000 12.440 -5.726 3.519 -99.200 -91.000 TRP 37 1.040 23.020 10.254 14.295 -99.200 -91.000 TRP6 37 1.020 24.870 8.834 14.133 -99.200 -91.000 HIS 43 0.900 19.270 -8.940 19.633 -99.200 -91.000 TYR 47 0.840 23.703 -14.336 18.886 -99.200 -91.000 TRP 49 1.040 21.905 -18.209 16.517 -99.200 -91.000 TRP6 49 1.020 19.986 -16.901 16.913 -99.200 -91.000 PHE 53 1.000 22.336 -9.396 8.412 -99.200 -91.000 HIS 65 0.900 -1.010 0.496 10.245 -99.200 -91.000 TYR 70 0.840 7.466 1.461 -1.870 -99.200 -91.000 TYR 84 0.840 29.376 4.981 13.960 -99.200 -91.000 HIS 86 0.900 29.048 0.290 24.805 -99.200 -91.000 TYR 89 0.840 26.593 -7.391 21.020 -99.200 -91.000 TRP 91 1.040 30.011 -11.229 20.323 -99.200 -91.000 TRP6 91 1.020 30.990 -13.394 20.161 -99.200 -91.000 PHE 110 1.000 12.063 14.619 11.591 -99.200 -91.000 TYR 113 0.840 1.141 9.200 7.574 -99.200 -91.000 HIS 115 0.900 7.680 14.409 15.416 -99.200 -91.000 TYR 132 0.840 5.727 4.372 37.820 -99.200 -91.000 TRP 139 1.040 5.296 -4.016 11.217 -99.200 -91.000 TRP6 139 1.020 6.937 -2.333 11.326 -99.200 -91.000 PHE 176 1.000 13.751 -1.519 30.998 -99.200 -91.000 TYR 180 0.840 0.593 -7.223 32.023 -99.200 -91.000 PHE 199 1.000 9.379 -0.746 28.449 -99.200 -91.000 PHE 205 1.000 6.582 14.416 36.162 -99.200 -91.000 TRP 209 1.040 4.313 9.122 23.387 -99.200 -91.000 TRP6 209 1.020 3.451 7.149 24.357 -99.200 -91.000 TYR 210 0.840 11.182 11.985 27.644 -99.200 -91.000 TRP 217 1.040 18.733 -10.815 27.225 -99.200 -91.000 TRP6 217 1.020 18.012 -12.305 28.908 -99.200 -91.000 TYR 227 0.840 8.941 -11.980 34.676 -99.200 -91.000 PHE 229 1.000 15.582 -10.590 31.576 -99.200 -91.000 TYR 230 0.840 11.873 -4.874 27.060 -99.200 -91.000 HIS 232 0.900 18.466 1.738 32.721 -99.200 -91.000 PHE 234 1.000 20.281 8.522 32.439 -99.200 -91.000 TRP 239 1.040 28.818 3.985 22.528 -99.200 -91.000 TRP6 239 1.020 27.112 3.170 21.126 -99.200 -91.000