============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 3 0.900 18.857 -6.620 42.758 -99.200 -91.000 TYR 7 0.840 30.632 -1.785 51.494 -99.200 -91.000 PHE 8 1.000 23.971 3.169 55.501 -99.200 -91.000 TYR 22 0.840 36.444 2.777 59.884 -99.200 -91.000 TYR 27 0.840 23.373 -1.762 55.927 -99.200 -91.000 PHE 33 1.000 27.460 -7.276 51.743 -99.200 -91.000 PHE 36 1.000 37.623 -3.291 60.764 -99.200 -91.000 TYR 45 0.840 34.762 -5.687 55.954 -99.200 -91.000 TRP 51 1.040 23.514 -14.027 51.600 -99.200 -91.000 TRP6 51 1.020 24.781 -12.284 50.627 -99.200 -91.000 TYR 59 0.840 35.110 -10.546 50.402 -99.200 -91.000 TRP 60 1.040 35.813 -13.788 54.544 -99.200 -91.000 TRP6 60 1.020 34.010 -12.310 54.962 -99.200 -91.000 PHE 74 1.000 36.550 7.559 57.361 -99.200 -91.000 TYR 84 0.840 39.522 20.952 57.153 -99.200 -91.000 TYR 85 0.840 33.542 22.015 61.053 -99.200 -91.000 HIS 93 0.900 33.792 17.209 67.873 -99.200 -91.000 TYR 113 0.840 24.432 6.768 47.841 -99.200 -91.000 TYR 116 0.840 33.317 11.700 53.667 -99.200 -91.000 TYR 118 0.840 33.055 17.155 62.652 -99.200 -91.000 TYR 123 0.840 32.993 18.168 55.794 -99.200 -91.000 TRP 133 1.040 34.173 16.428 44.920 -99.200 -91.000 TRP6 133 1.020 33.971 14.235 45.703 -99.200 -91.000 HIS 145 0.900 37.102 24.686 46.059 -99.200 -91.000 TRP 147 1.040 38.443 14.694 48.984 -99.200 -91.000 TRP6 147 1.020 36.289 14.114 49.773 -99.200 -91.000 TYR 159 0.840 33.837 1.688 45.369 -99.200 -91.000 TRP 167 1.040 34.234 -6.843 44.077 -99.200 -91.000 TRP6 167 1.020 34.747 -8.942 45.050 -99.200 -91.000 TYR 171 0.840 29.704 -8.479 47.763 -99.200 -91.000 HIS 188 0.900 -2.998 -10.595 67.436 -99.200 -91.000 HIS 191 0.900 -13.046 -4.997 73.408 -99.200 -91.000 HIS 192 0.900 -5.967 -4.071 74.494 -99.200 -91.000 TRP 204 1.040 -1.649 -6.386 68.544 -99.200 -91.000 TRP6 204 1.020 0.457 -5.828 69.452 -99.200 -91.000 PHE 208 1.000 5.509 -6.727 59.655 -99.200 -91.000 TYR 209 0.840 13.156 -9.602 55.660 -99.200 -91.000 TRP 217 1.040 -7.846 -0.039 63.112 -99.200 -91.000 TRP6 217 1.020 -9.309 -1.846 63.572 -99.200 -91.000 PHE 241 1.000 11.934 -5.655 60.465 -99.200 -91.000 TRP 244 1.040 0.823 -1.539 68.652 -99.200 -91.000 TRP6 244 1.020 -0.220 0.550 69.114 -99.200 -91.000 TYR 256 0.840 -22.080 -1.162 63.340 -99.200 -91.000 TYR 257 0.840 -15.237 1.600 64.229 -99.200 -91.000 HIS 260 0.900 -9.627 -3.071 55.174 -99.200 -91.000 TYR 262 0.840 -3.933 -2.334 52.257 -99.200 -91.000 HIS 263 0.900 4.910 -8.031 54.054 -99.200 -91.000 TRP 274 1.040 -13.787 -7.775 69.660 -99.200 -91.000 TRP6 274 1.020 -12.061 -8.837 70.845 -99.200 -91.000