============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 4 1.000 -14.876 -33.896 -2.133 -99.200 -91.000 PHE 28 1.000 -8.305 -50.676 -0.141 -99.200 -91.000 PHE 30 1.000 -4.601 -53.115 -4.981 -99.200 -91.000 TYR 37 0.840 -2.553 -49.852 0.213 -99.200 -91.000 PHE 53 1.000 12.443 -39.915 -7.655 -99.200 -91.000 PHE 62 1.000 3.848 -38.747 8.873 -99.200 -91.000 PHE 65 1.000 0.699 -45.966 -3.911 -99.200 -91.000 HIS 69 0.900 8.006 -35.476 -11.415 -99.200 -91.000 HIS 71 0.900 7.167 -34.476 -17.291 -99.200 -91.000 TYR 72 0.840 11.659 -37.166 -10.205 -99.200 -91.000 TRP 77 1.040 11.733 -42.894 -11.823 -99.200 -91.000 TRP6 77 1.020 10.306 -43.918 -10.252 -99.200 -91.000 PHE 80 1.000 13.037 -42.294 -4.156 -99.200 -91.000 HIS 90 0.900 2.458 -48.381 1.238 -99.200 -91.000 PHE 102 1.000 4.489 -49.923 -22.818 -99.200 -91.000 TYR 117 0.840 0.689 -50.427 -5.631 -99.200 -91.000 TYR 126 0.840 -15.859 -40.946 -19.613 -99.200 -91.000 HIS 129 0.900 -4.648 -43.508 -28.008 -99.200 -91.000 PHE 130 1.000 -6.616 -44.405 -19.872 -99.200 -91.000 PHE 133 1.000 -0.746 -46.733 -22.546 -99.200 -91.000 PHE 141 1.000 5.120 -53.391 -17.549 -99.200 -91.000 HIS 144 0.900 4.824 -54.331 -12.501 -99.200 -91.000 TYR 188 0.840 -21.169 -37.004 -12.972 -99.200 -91.000 HIS 202 0.900 -16.121 -49.835 -3.580 -99.200 -91.000 HIS 207 0.900 -9.866 -52.385 -4.468 -99.200 -91.000 PHE 224 1.000 -9.872 -41.876 2.598 -99.200 -91.000 PHE 230 1.000 -5.690 -46.870 -2.777 -99.200 -91.000 HIS 240 0.900 3.118 -28.855 2.145 -99.200 -91.000 TYR 255 0.840 3.688 -15.307 -2.500 -99.200 -91.000 PHE 258 1.000 -0.735 -27.310 -7.393 -99.200 -91.000 TYR 259 0.840 3.930 -26.224 -13.079 -99.200 -91.000 TYR 270 0.840 8.031 -31.094 -17.760 -99.200 -91.000 PHE 281 1.000 8.398 -22.820 2.293 -99.200 -91.000 HIS 287 0.900 5.659 -29.639 11.184 -99.200 -91.000 TYR 302 0.840 -16.646 -34.930 15.983 -99.200 -91.000 PHE 317 1.000 -21.411 -38.032 2.470 -99.200 -91.000