============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. HIS 10 0.900 30.473 45.545 73.648 -99.200 -91.000 PHE 12 1.000 27.560 42.407 78.351 -99.200 -91.000 PHE 16 1.000 20.485 39.313 87.410 -99.200 -91.000 TYR 59 0.840 3.989 51.113 85.547 -99.200 -91.000 PHE 62 1.000 -3.247 47.164 89.067 -99.200 -91.000 PHE 77 1.000 19.315 58.194 66.338 -99.200 -91.000 PHE 79 1.000 19.126 62.259 76.287 -99.200 -91.000 TYR 80 0.840 16.683 58.469 74.388 -99.200 -91.000 TYR 83 0.840 23.859 57.914 78.388 -99.200 -91.000 HIS 88 0.900 27.258 54.134 79.259 -99.200 -91.000 TYR 90 0.840 30.181 53.457 75.480 -99.200 -91.000 PHE 96 1.000 22.991 45.399 75.076 -99.200 -91.000 TYR 142 0.840 2.211 39.631 67.906 -99.200 -91.000 PHE 144 1.000 5.527 35.464 61.582 -99.200 -91.000 TYR 150 0.840 9.572 47.740 60.195 -99.200 -91.000 TYR 158 0.840 23.734 49.339 63.285 -99.200 -91.000 PHE 162 1.000 20.072 44.272 63.159 -99.200 -91.000 TYR 169 0.840 6.187 35.627 67.531 -99.200 -91.000 PHE 170 1.000 0.981 34.659 73.512 -99.200 -91.000 HIS 174 0.900 1.483 32.571 64.850 -99.200 -91.000 PHE 175 1.000 6.901 29.730 70.425 -99.200 -91.000 PHE 185 1.000 16.807 39.333 57.528 -99.200 -91.000 PHE 190 1.000 20.962 42.090 71.161 -99.200 -91.000 PHE 218 1.000 -8.908 46.483 75.124 -99.200 -91.000 TYR 225 0.840 -1.258 39.963 85.816 -99.200 -91.000 PHE 237 1.000 11.734 33.391 68.785 -99.200 -91.000 TYR 238 0.840 19.698 27.854 74.337 -99.200 -91.000 PHE 247 1.000 21.158 39.949 75.107 -99.200 -91.000 TYR 253 0.840 7.829 40.621 89.899 -99.200 -91.000 PHE 259 1.000 18.727 27.714 88.358 -99.200 -91.000 HIS 261 0.900 13.385 34.962 81.696 -99.200 -91.000 PHE 283 1.000 19.322 46.061 87.723 -99.200 -91.000 TYR 299 0.840 24.186 24.131 87.865 -99.200 -91.000 PHE 305 1.000 22.739 28.255 85.679 -99.200 -91.000