============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TRP 8 1.040 20.995 40.497 -42.361 -99.200 -91.000 TRP6 8 1.020 22.394 39.855 -44.163 -99.200 -91.000 HIS 12 0.900 21.207 43.474 -26.919 -99.200 -91.000 PHE 23 1.000 15.826 49.298 -30.430 -99.200 -91.000 PHE 37 1.000 11.399 28.557 -25.202 -99.200 -91.000 TYR 44 0.840 6.013 36.606 -20.141 -99.200 -91.000 TYR 46 0.840 11.435 39.788 -18.683 -99.200 -91.000 HIS 47 0.900 18.471 40.682 -21.486 -99.200 -91.000 PHE 53 1.000 25.529 52.828 -18.464 -99.200 -91.000 TRP 60 1.040 5.996 42.953 -20.331 -99.200 -91.000 TRP6 60 1.020 3.950 41.839 -20.776 -99.200 -91.000 TYR 62 0.840 1.062 38.260 -22.436 -99.200 -91.000 PHE 63 1.000 7.586 33.282 -29.688 -99.200 -91.000 PHE 66 1.000 8.705 40.865 -30.612 -99.200 -91.000 TYR 73 0.840 6.022 47.135 -37.180 -99.200 -91.000 TYR 81 0.840 6.553 45.477 -46.629 -99.200 -91.000 PHE 85 1.000 11.710 43.284 -38.761 -99.200 -91.000 PHE 88 1.000 11.414 37.215 -36.977 -99.200 -91.000 TYR 117 0.840 7.229 36.193 -39.310 -99.200 -91.000 TRP 118 1.040 7.190 31.920 -41.679 -99.200 -91.000 TRP6 118 1.020 8.311 30.335 -40.340 -99.200 -91.000 TYR 128 0.840 15.369 35.301 -45.798 -99.200 -91.000 HIS 138 0.900 19.178 23.413 -24.885 -99.200 -91.000 TYR 139 0.840 21.129 16.992 -30.926 -99.200 -91.000 PHE 141 1.000 13.900 25.486 -30.407 -99.200 -91.000 PHE 145 1.000 11.402 26.162 -36.553 -99.200 -91.000 HIS 154 0.900 2.142 24.998 -44.122 -99.200 -91.000 TYR 163 0.840 18.153 26.070 -38.680 -99.200 -91.000 PHE 165 1.000 22.033 24.414 -33.441 -99.200 -91.000 TYR 169 0.840 28.968 31.849 -23.826 -99.200 -91.000 HIS 180 0.900 30.595 21.461 -39.807 -99.200 -91.000 TYR 183 0.840 24.977 25.114 -36.538 -99.200 -91.000 HIS 191 0.900 18.632 27.864 -44.970 -99.200 -91.000 TRP 193 1.040 22.905 34.340 -40.035 -99.200 -91.000 TRP6 193 1.020 22.383 36.565 -39.451 -99.200 -91.000 PHE 201 1.000 35.853 32.930 -22.861 -99.200 -91.000 PHE 223 1.000 30.479 25.337 -38.971 -99.200 -91.000 TYR 228 0.840 24.153 36.719 -34.892 -99.200 -91.000 TYR 229 0.840 31.989 41.667 -31.350 -99.200 -91.000 TRP 230 1.040 26.474 39.060 -28.196 -99.200 -91.000 TRP6 230 1.020 24.444 37.996 -27.605 -99.200 -91.000 TYR 253 0.840 22.682 52.929 -27.901 -99.200 -91.000 TYR 266 0.840 34.884 51.964 -41.959 -99.200 -91.000 TYR 270 0.840 33.028 47.111 -44.457 -99.200 -91.000 TYR 275 0.840 12.680 39.444 -48.742 -99.200 -91.000 TRP 280 1.040 18.715 31.349 -44.867 -99.200 -91.000 TRP6 280 1.020 18.913 32.355 -42.722 -99.200 -91.000 PHE 283 1.000 30.754 39.876 -49.582 -99.200 -91.000