============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 1 0.900 34.730 13.631 42.745 -99.200 -91.000 TRP 16 1.040 -1.495 -6.653 17.914 -99.200 -91.000 TRP6 16 1.020 -1.536 -5.026 19.626 -99.200 -91.000 TYR 25 0.840 17.078 -7.495 14.331 -99.200 -91.000 HIS 26 0.900 10.424 -11.390 12.650 -99.200 -91.000 TYR 32 0.840 8.670 -0.198 23.450 -99.200 -91.000 PHE 37 1.000 11.389 -5.113 38.777 -99.200 -91.000 TYR 38 0.840 12.697 2.667 39.377 -99.200 -91.000 TYR 42 0.840 24.995 2.034 43.846 -99.200 -91.000 TYR 64 0.840 33.629 -3.633 27.792 -99.200 -91.000 PHE 70 1.000 30.064 8.589 24.659 -99.200 -91.000 TYR 80 0.840 32.742 8.537 34.044 -99.200 -91.000 PHE 83 1.000 28.321 -4.572 41.281 -99.200 -91.000 PHE 134 1.000 9.602 3.121 26.893 -99.200 -91.000 PHE 135 1.000 13.832 0.664 28.881 -99.200 -91.000 TYR 176 0.840 10.477 -10.624 17.617 -99.200 -91.000 HIS 183 0.900 2.403 -17.602 14.886 -99.200 -91.000 PHE 184 1.000 4.401 -12.961 9.981 -99.200 -91.000 TYR 189 0.840 -6.267 -7.121 15.021 -99.200 -91.000 TYR 217 0.840 11.655 -20.245 26.346 -99.200 -91.000 TYR 224 0.840 -2.146 -16.876 29.755 -99.200 -91.000 PHE 226 1.000 -0.921 -20.399 41.323 -99.200 -91.000 TYR 229 0.840 -6.101 -21.566 41.747 -99.200 -91.000 PHE 232 1.000 -6.457 -10.824 40.062 -99.200 -91.000 PHE 235 1.000 -3.871 -8.552 29.910 -99.200 -91.000 TYR 244 0.840 1.360 -7.134 31.464 -99.200 -91.000 PHE 245 1.000 -1.914 -10.706 38.977 -99.200 -91.000 PHE 246 1.000 -3.248 -4.042 33.657 -99.200 -91.000 TRP 262 1.040 6.670 -19.184 39.236 -99.200 -91.000 TRP6 262 1.020 4.335 -19.510 39.469 -99.200 -91.000