============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 3 0.840 108.586 35.319 199.803 -99.200 -91.000 HIS 12 0.900 95.135 38.775 197.070 -99.200 -91.000 PHE 13 1.000 100.622 33.612 193.597 -99.200 -91.000 PHE 19 1.000 107.998 33.603 214.575 -99.200 -91.000 PHE 44 1.000 109.880 31.465 210.108 -99.200 -91.000 HIS 45 0.900 109.990 36.696 202.753 -99.200 -91.000 HIS 46 0.900 101.804 32.335 206.550 -99.200 -91.000 HIS 51 0.900 90.900 41.000 220.092 -99.200 -91.000 TYR 53 0.840 97.199 33.680 218.661 -99.200 -91.000 PHE 78 1.000 99.294 35.457 203.481 -99.200 -91.000 TYR 79 0.840 99.327 40.311 211.140 -99.200 -91.000 TRP 84 1.040 87.870 35.005 221.209 -99.200 -91.000 TRP6 84 1.020 88.723 32.833 220.792 -99.200 -91.000 HIS 88 0.900 82.319 33.492 215.909 -99.200 -91.000 TYR 108 0.840 97.549 45.300 202.921 -99.200 -91.000 TYR 112 0.840 89.674 39.449 210.724 -99.200 -91.000 HIS 115 0.900 91.852 31.801 216.816 -99.200 -91.000 PHE 116 1.000 86.715 26.482 218.800 -99.200 -91.000 PHE 137 1.000 79.592 27.428 225.182 -99.200 -91.000 TRP 146 1.040 82.302 33.294 203.999 -99.200 -91.000 TRP6 146 1.020 84.557 33.083 204.687 -99.200 -91.000 PHE 166 1.000 84.643 27.468 210.173 -99.200 -91.000 HIS 168 0.900 82.704 16.635 204.829 -99.200 -91.000 TYR 182 0.840 85.174 37.813 197.521 -99.200 -91.000 HIS 192 0.900 99.997 16.372 215.756 -99.200 -91.000 TYR 194 0.840 103.069 11.072 217.707 -99.200 -91.000 PHE 195 1.000 93.688 14.674 214.754 -99.200 -91.000 PHE 203 1.000 85.238 19.071 202.016 -99.200 -91.000 TYR 214 0.840 95.895 24.615 215.493 -99.200 -91.000 HIS 220 0.900 100.394 25.532 223.674 -99.200 -91.000 TRP 225 1.040 95.093 26.945 227.078 -99.200 -91.000 TRP6 225 1.020 92.791 27.411 226.801 -99.200 -91.000 HIS 246 0.900 116.819 13.162 205.009 -99.200 -91.000 TYR 257 0.840 103.773 13.943 207.194 -99.200 -91.000 TYR 270 0.840 107.494 34.213 221.375 -99.200 -91.000 PHE 282 1.000 110.992 26.973 202.603 -99.200 -91.000 PHE 284 1.000 114.962 18.384 205.353 -99.200 -91.000 TYR 303 0.840 100.161 16.700 220.774 -99.200 -91.000 PHE 309 1.000 86.079 28.094 223.763 -99.200 -91.000 TYR 315 0.840 84.183 20.554 220.647 -99.200 -91.000 PHE 317 1.000 88.758 20.729 217.323 -99.200 -91.000 TYR 321 0.840 85.853 13.938 206.895 -99.200 -91.000