============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 8 1.000 19.144 29.390 198.331 -99.200 -91.000 PHE 16 1.000 24.709 31.715 198.705 -99.200 -91.000 HIS 20 0.900 29.491 33.757 196.756 -99.200 -91.000 HIS 40 0.900 16.680 26.267 186.772 -99.200 -91.000 TYR 44 0.840 19.695 29.948 184.279 -99.200 -91.000 TYR 48 0.840 16.852 41.340 192.676 -99.200 -91.000 HIS 49 0.900 17.438 39.851 184.467 -99.200 -91.000 PHE 51 1.000 25.832 33.368 192.535 -99.200 -91.000 TYR 57 0.840 22.359 19.522 190.800 -99.200 -91.000 TYR 61 0.840 28.527 18.689 200.875 -99.200 -91.000 TYR 63 0.840 29.744 20.795 195.405 -99.200 -91.000 TRP 82 1.040 20.202 25.119 212.183 -99.200 -91.000 TRP6 82 1.020 20.273 25.943 209.968 -99.200 -91.000 PHE 97 1.000 9.194 26.634 210.853 -99.200 -91.000 HIS 106 0.900 15.840 27.455 212.761 -99.200 -91.000 HIS 133 0.900 22.444 50.580 214.305 -99.200 -91.000 TYR 136 0.840 22.396 41.741 219.083 -99.200 -91.000 HIS 141 0.900 18.102 42.268 223.058 -99.200 -91.000 HIS 142 0.900 20.412 34.850 223.572 -99.200 -91.000 PHE 164 1.000 10.717 69.091 209.924 -99.200 -91.000 HIS 175 0.900 5.071 45.241 199.281 -99.200 -91.000 TYR 177 0.840 3.164 40.193 191.111 -99.200 -91.000 HIS 188 0.900 -4.014 34.312 201.292 -99.200 -91.000 PHE 223 1.000 3.571 55.347 210.859 -99.200 -91.000 TYR 271 0.840 16.696 64.705 199.053 -99.200 -91.000 HIS 286 0.900 20.614 53.843 199.703 -99.200 -91.000 PHE 305 1.000 3.899 59.949 197.605 -99.200 -91.000 TRP 307 1.040 10.434 55.714 194.542 -99.200 -91.000 TRP6 307 1.020 8.905 54.589 193.139 -99.200 -91.000 TYR 308 0.840 9.128 49.550 200.699 -99.200 -91.000 TRP 312 1.040 20.002 44.155 196.143 -99.200 -91.000 TRP6 312 1.020 20.751 41.991 195.584 -99.200 -91.000 TYR 314 0.840 13.514 42.388 205.357 -99.200 -91.000