============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 15 0.900 -8.047 47.366 77.591 -99.200 -91.000 TYR 21 0.840 -20.648 45.497 77.000 -99.200 -91.000 HIS 44 0.900 -6.009 59.207 82.632 -99.200 -91.000 HIS 46 0.900 -5.260 57.844 77.410 -99.200 -91.000 PHE 62 1.000 -7.022 64.767 75.263 -99.200 -91.000 TYR 64 0.840 -18.347 67.286 72.264 -99.200 -91.000 PHE 108 1.000 5.828 65.807 84.678 -99.200 -91.000 PHE 113 1.000 2.376 51.423 77.941 -99.200 -91.000 HIS 116 0.900 4.753 42.344 71.415 -99.200 -91.000 TYR 122 0.840 -9.003 40.957 72.716 -99.200 -91.000 PHE 125 1.000 -7.781 43.147 66.398 -99.200 -91.000 TYR 127 0.840 -12.964 50.994 62.828 -99.200 -91.000 TRP 129 1.040 -7.972 52.015 64.101 -99.200 -91.000 TRP6 129 1.020 -7.287 51.791 66.351 -99.200 -91.000 TYR 133 0.840 -2.230 51.138 69.377 -99.200 -91.000 PHE 141 1.000 4.681 56.428 77.671 -99.200 -91.000 PHE 145 1.000 16.247 61.750 83.794 -99.200 -91.000 PHE 155 1.000 1.615 68.531 83.846 -99.200 -91.000 TYR 167 0.840 3.822 53.608 83.109 -99.200 -91.000 TYR 173 0.840 16.597 54.811 93.166 -99.200 -91.000 PHE 177 1.000 18.371 64.348 88.266 -99.200 -91.000 PHE 178 1.000 11.024 66.543 96.547 -99.200 -91.000 HIS 179 0.900 15.836 64.494 96.229 -99.200 -91.000 TYR 182 0.840 14.206 70.679 86.375 -99.200 -91.000 PHE 191 1.000 3.909 53.990 93.955 -99.200 -91.000 HIS 193 0.900 2.833 47.780 90.739 -99.200 -91.000 PHE 208 1.000 12.493 47.549 96.405 -99.200 -91.000 TYR 221 0.840 5.102 58.913 98.557 -99.200 -91.000 TRP 223 1.040 0.908 55.535 98.188 -99.200 -91.000 TRP6 223 1.020 0.239 53.336 97.760 -99.200 -91.000 PHE 231 1.000 -2.298 39.973 88.274 -99.200 -91.000 TYR 253 0.840 -12.071 40.457 80.283 -99.200 -91.000 PHE 300 1.000 -12.078 71.367 81.346 -99.200 -91.000