============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 6 1.000 34.097 38.072 42.861 -99.200 -91.000 TYR 10 0.840 30.512 41.617 46.852 -99.200 -91.000 PHE 14 1.000 24.529 43.795 51.878 -99.200 -91.000 PHE 20 1.000 37.162 44.731 53.666 -99.200 -91.000 TYR 34 0.840 36.394 35.106 31.773 -99.200 -91.000 TYR 39 0.840 32.471 51.503 26.899 -99.200 -91.000 HIS 41 0.900 26.973 48.590 32.625 -99.200 -91.000 PHE 42 1.000 37.038 45.550 34.124 -99.200 -91.000 TYR 48 0.840 31.445 28.580 41.758 -99.200 -91.000 PHE 49 1.000 26.610 33.884 42.647 -99.200 -91.000 PHE 50 1.000 27.000 39.788 36.193 -99.200 -91.000 TYR 54 0.840 31.414 50.357 41.759 -99.200 -91.000 PHE 55 1.000 39.060 48.627 37.920 -99.200 -91.000 PHE 63 1.000 46.044 47.807 34.099 -99.200 -91.000 HIS 64 0.900 45.708 53.846 32.421 -99.200 -91.000 PHE 67 1.000 50.795 45.518 34.615 -99.200 -91.000 TRP 85 1.040 40.793 42.346 47.532 -99.200 -91.000 TRP6 85 1.020 39.135 41.622 49.049 -99.200 -91.000 PHE 98 1.000 24.200 45.657 35.485 -99.200 -91.000 TYR 101 0.840 16.931 42.438 46.399 -99.200 -91.000 HIS 111 0.900 41.921 50.741 47.671 -99.200 -91.000 PHE 113 1.000 43.154 47.023 37.612 -99.200 -91.000 TYR 126 0.840 26.149 33.321 30.777 -99.200 -91.000 PHE 131 1.000 24.806 43.377 44.770 -99.200 -91.000 PHE 136 1.000 24.618 39.457 48.114 -99.200 -91.000 HIS 142 0.900 19.095 38.367 59.084 -99.200 -91.000 PHE 143 1.000 22.333 45.807 56.206 -99.200 -91.000 HIS 145 0.900 12.747 41.034 59.989 -99.200 -91.000 PHE 192 1.000 14.154 51.632 57.736 -99.200 -91.000 PHE 195 1.000 19.040 50.603 55.902 -99.200 -91.000 PHE 197 1.000 24.738 51.018 55.549 -99.200 -91.000 PHE 211 1.000 35.605 53.823 25.004 -99.200 -91.000