============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 21 1.040 17.309 -9.052 21.201 -99.200 -91.000 TRP6 21 1.020 19.272 -7.925 20.491 -99.200 -91.000 TYR 40 0.840 15.390 -2.672 37.103 -99.200 -91.000 HIS 42 0.900 10.950 1.803 30.713 -99.200 -91.000 HIS 47 0.900 4.632 -11.268 18.278 -99.200 -91.000 TYR 49 0.840 12.872 -7.680 22.160 -99.200 -91.000 PHE 74 1.000 5.812 4.418 30.309 -99.200 -91.000 TRP 80 1.040 9.129 -8.253 13.203 -99.200 -91.000 TRP6 80 1.020 11.219 -7.282 13.783 -99.200 -91.000 TYR 83 0.840 2.692 -9.173 13.202 -99.200 -91.000 HIS 84 0.900 6.071 -1.355 9.804 -99.200 -91.000 TYR 104 0.840 -2.961 0.769 31.007 -99.200 -91.000 TYR 108 0.840 2.267 -1.831 19.862 -99.200 -91.000 HIS 111 0.900 11.445 -4.093 17.609 -99.200 -91.000 TRP 112 1.040 13.967 -2.680 13.594 -99.200 -91.000 TRP6 112 1.020 16.180 -1.876 13.355 -99.200 -91.000 PHE 116 1.000 11.419 -6.689 7.825 -99.200 -91.000 PHE 122 1.000 8.520 -13.112 14.676 -99.200 -91.000 PHE 123 1.000 14.649 -9.825 10.582 -99.200 -91.000 TRP 142 1.040 2.079 8.510 13.846 -99.200 -91.000 TRP6 142 1.020 3.416 7.619 15.548 -99.200 -91.000 PHE 162 1.000 10.169 5.405 12.512 -99.200 -91.000 HIS 164 0.900 18.141 14.354 9.734 -99.200 -91.000 TYR 178 0.840 -3.543 11.000 19.572 -99.200 -91.000 HIS 188 0.900 26.901 1.949 22.078 -99.200 -91.000 TYR 190 0.840 33.208 1.655 22.706 -99.200 -91.000 TYR 199 0.840 14.335 16.594 14.317 -99.200 -91.000 TYR 210 0.840 18.524 -0.277 20.427 -99.200 -91.000 TRP 220 1.040 25.260 -8.789 15.913 -99.200 -91.000 TRP6 220 1.020 22.896 -9.074 16.018 -99.200 -91.000 HIS 241 0.900 32.200 9.422 39.604 -99.200 -91.000 PHE 252 1.000 27.534 8.704 28.083 -99.200 -91.000 PHE 274 1.000 15.600 0.965 40.200 -99.200 -91.000 PHE 277 1.000 17.319 6.281 39.762 -99.200 -91.000 PHE 279 1.000 27.163 6.778 39.686 -99.200 -91.000 TYR 292 0.840 36.109 7.335 26.352 -99.200 -91.000 TRP 296 1.040 30.782 -1.509 17.064 -99.200 -91.000 TRP6 296 1.020 29.755 -2.337 19.024 -99.200 -91.000 HIS 307 0.900 11.944 -1.273 3.852 -99.200 -91.000 TYR 310 0.840 19.849 0.321 6.961 -99.200 -91.000 PHE 312 1.000 20.161 2.454 12.042 -99.200 -91.000 HIS 313 0.900 20.680 3.332 3.182 -99.200 -91.000 PHE 316 1.000 20.798 14.602 12.275 -99.200 -91.000