============================================================================= 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. TYR 19 0.840 10.522 -4.169 89.738 -99.200 -91.000 HIS 23 0.900 8.955 0.004 87.456 -99.200 -91.000 PHE 32 1.000 8.280 8.810 80.352 -99.200 -91.000 PHE 41 1.000 7.631 4.594 90.336 -99.200 -91.000 TRP 47 1.040 10.677 -2.887 79.393 -99.200 -91.000 TRP6 47 1.020 12.600 -4.137 78.726 -99.200 -91.000 PHE 57 1.000 11.258 -10.607 73.801 -99.200 -91.000 HIS 67 0.900 13.700 0.678 53.165 -99.200 -91.000 PHE 68 1.000 13.212 0.082 61.993 -99.200 -91.000 HIS 79 0.900 17.214 3.122 91.392 -99.200 -91.000 TRP 82 1.040 24.164 2.138 83.118 -99.200 -91.000 TRP6 82 1.020 24.311 3.582 85.025 -99.200 -91.000 TYR 86 0.840 21.717 -2.412 71.855 -99.200 -91.000 TYR 90 0.840 17.256 -7.449 60.228 -99.200 -91.000 TRP 97 1.040 11.376 -12.875 64.080 -99.200 -91.000 TRP6 97 1.020 11.608 -10.742 65.046 -99.200 -91.000 TYR 100 0.840 23.342 -4.917 63.002 -99.200 -91.000 PHE 120 1.000 20.754 -0.269 62.800 -99.200 -91.000 HIS 132 0.900 16.167 -10.353 71.727 -99.200 -91.000 TYR 136 0.840 21.259 -7.129 84.045 -99.200 -91.000 HIS 139 0.900 15.283 -4.434 86.982 -99.200 -91.000 TRP 144 1.040 13.177 1.561 72.652 -99.200 -91.000 TRP6 144 1.020 13.298 -0.200 71.078 -99.200 -91.000 TYR 147 0.840 16.456 8.441 65.697 -99.200 -91.000 TYR 154 0.840 8.810 6.160 45.384 -99.200 -91.000 HIS 183 0.900 -15.679 12.683 31.430 -99.200 -91.000 PHE 186 1.000 -10.688 8.046 37.118 -99.200 -91.000 PHE 190 1.000 -8.511 7.439 41.559 -99.200 -91.000 HIS 206 0.900 -6.985 2.146 4.078 -99.200 -91.000 TRP 214 1.040 -2.322 3.938 16.067 -99.200 -91.000 TRP6 214 1.020 -1.755 3.732 18.344 -99.200 -91.000 PHE 226 1.000 -9.254 8.694 31.455 -99.200 -91.000 PHE 230 1.000 -10.222 6.843 21.795 -99.200 -91.000 TRP 233 1.040 -0.825 13.462 12.265 -99.200 -91.000 TRP6 233 1.020 -0.756 11.880 14.043 -99.200 -91.000 TYR 239 0.840 -14.712 -0.122 11.125 -99.200 -91.000 PHE 243 1.000 -5.206 4.519 23.257 -99.200 -91.000 TYR 245 0.840 -9.226 3.948 33.068 -99.200 -91.000 PHE 250 1.000 1.590 8.559 42.141 -99.200 -91.000