============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 8 1.040 25.772 43.867 5.774 -99.200 -91.000 TRP6 8 1.020 26.368 45.370 4.024 -99.200 -91.000 TYR 11 0.840 17.541 38.093 -5.147 -99.200 -91.000 TYR 16 0.840 20.910 43.654 -2.560 -99.200 -91.000 PHE 17 1.000 23.001 48.127 7.172 -99.200 -91.000 TRP 25 1.040 21.872 59.527 -2.808 -99.200 -91.000 TRP6 25 1.020 24.077 59.655 -3.672 -99.200 -91.000 HIS 35 0.900 29.569 49.488 7.796 -99.200 -91.000 PHE 50 1.000 16.038 41.446 -2.054 -99.200 -91.000 TYR 54 0.840 13.928 43.602 3.352 -99.200 -91.000 HIS 60 0.900 13.944 51.692 2.663 -99.200 -91.000 TRP 61 1.040 18.462 58.936 0.701 -99.200 -91.000 TRP6 61 1.020 17.500 60.420 -0.876 -99.200 -91.000 HIS 70 0.900 28.867 66.251 -14.960 -99.200 -91.000 TRP 72 1.040 19.695 59.951 -15.445 -99.200 -91.000 TRP6 72 1.020 18.628 60.116 -13.345 -99.200 -91.000 TRP 74 1.040 23.693 52.205 -12.177 -99.200 -91.000 TRP6 74 1.020 21.773 51.996 -10.813 -99.200 -91.000 PHE 80 1.000 19.390 54.132 -14.864 -99.200 -91.000 TRP 83 1.040 18.305 49.329 -16.206 -99.200 -91.000 TRP6 83 1.020 16.999 47.991 -14.744 -99.200 -91.000 PHE 84 1.000 15.964 52.077 -12.507 -99.200 -91.000 PHE 94 1.000 11.621 58.536 -3.416 -99.200 -91.000 TYR 110 0.840 13.690 54.173 7.584 -99.200 -91.000 TRP 111 1.040 21.830 53.710 4.174 -99.200 -91.000 TRP6 111 1.020 21.633 54.891 6.204 -99.200 -91.000 TYR 117 0.840 26.327 36.371 -2.653 -99.200 -91.000