============================================================================= 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. PHE 12 1.000 77.751 54.524 -17.757 -99.200 -91.000 HIS 18 0.900 61.872 63.811 -21.963 -99.200 -91.000 TYR 22 0.840 66.529 48.124 -17.471 -99.200 -91.000 HIS 28 0.900 80.063 46.137 -26.191 -99.200 -91.000 PHE 38 1.000 73.784 57.066 -29.149 -99.200 -91.000 PHE 39 1.000 72.954 46.708 -32.462 -99.200 -91.000 TYR 44 0.840 75.971 48.811 -35.908 -99.200 -91.000 HIS 49 0.900 74.267 67.339 -39.511 -99.200 -91.000 PHE 51 1.000 71.982 59.059 -39.361 -99.200 -91.000 HIS 54 0.900 60.522 65.620 -30.067 -99.200 -91.000 HIS 57 0.900 59.763 69.967 -23.475 -99.200 -91.000 PHE 63 1.000 69.598 54.911 -40.911 -99.200 -91.000 HIS 73 0.900 71.558 65.177 -19.835 -99.200 -91.000 HIS 79 0.900 82.189 68.118 -28.209 -99.200 -91.000 TRP 103 1.040 79.550 62.327 -10.242 -99.200 -91.000 TRP6 103 1.020 81.683 63.361 -10.246 -99.200 -91.000 PHE 105 1.000 75.644 58.763 -18.911 -99.200 -91.000 TYR 106 0.840 84.464 64.160 -16.319 -99.200 -91.000 TYR 122 0.840 90.558 68.165 -32.008 -99.200 -91.000 PHE 123 1.000 82.324 71.480 -38.012 -99.200 -91.000 TYR 150 0.840 71.889 78.926 -22.085 -99.200 -91.000 PHE 154 1.000 67.254 80.731 -16.384 -99.200 -91.000 PHE 157 1.000 65.256 80.960 -7.510 -99.200 -91.000 PHE 163 1.000 79.885 78.022 -15.826 -99.200 -91.000 PHE 165 1.000 84.076 73.414 -21.223 -99.200 -91.000 PHE 179 1.000 67.206 74.511 -16.317 -99.200 -91.000 PHE 181 1.000 62.406 77.762 -15.116 -99.200 -91.000 TRP 183 1.040 56.652 78.229 -16.017 -99.200 -91.000 TRP6 183 1.020 58.153 79.485 -14.686 -99.200 -91.000 HIS 187 0.900 53.950 71.606 -23.066 -99.200 -91.000 TYR 211 0.840 58.298 73.046 -6.380 -99.200 -91.000 TYR 218 0.840 78.074 73.566 -9.392 -99.200 -91.000 HIS 225 0.900 71.495 69.964 -17.635 -99.200 -91.000 PHE 228 1.000 76.482 67.383 -19.415 -99.200 -91.000 TYR 235 0.840 81.599 63.979 -29.911 -99.200 -91.000 PHE 245 1.000 80.465 76.599 -30.854 -99.200 -91.000 TYR 246 0.840 76.080 85.269 -25.750 -99.200 -91.000 PHE 248 1.000 69.317 86.518 -24.619 -99.200 -91.000 HIS 252 0.900 68.572 69.677 -25.806 -99.200 -91.000