REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "(R)-IBUPROFENOYL-COENZYME A" RESIDUE RFC 41 133 1 133 1 PHI1 0 0 0.0000 2 1 3 7 0 2 CHI1 0 0 0.0000 1 3 5 6 6 3 PHI2 0 0 0.0000 1 3 7 8 0 4 PHI3 0 0 0.0000 3 7 8 32 0 5 CHI2 0 0 0.0000 7 8 9 10 30 6 CHI3 0 0 0.0000 8 9 10 11 11 7 CHI4 0 0 0.0000 8 9 12 13 29 8 CHI5 0 0 0.0000 9 12 13 14 28 9 CHI6 0 0 0.0000 15 16 17 18 20 10 PHI4 0 0 0.0000 7 8 32 35 0 11 PHI5 0 0 0.0000 8 32 35 39 0 12 PHI6 0 0 0.0000 32 35 39 40 0 13 PHI7 0 0 0.0000 35 39 40 44 0 14 CHI7 0 0 0.0000 39 40 41 42 42 15 PHI8 0 0 0.0000 39 40 44 45 0 16 PHI9 0 0 0.0000 40 44 45 49 0 17 CHI8 0 0 0.0000 44 45 46 47 47 18 PHI10 0 0 0.0000 44 45 49 50 0 19 PHI11 0 0 0.0000 45 49 50 54 0 20 PHI12 0 0 0.0000 49 50 54 66 0 21 CHI9 0 0 0.0000 50 54 55 56 59 22 CHI10 0 0 0.0000 50 54 60 61 64 23 PHI13 0 0 0.0000 50 54 66 70 0 24 CHI11 0 0 0.0000 54 66 67 68 68 25 PHI14 0 0 0.0000 54 66 70 72 0 26 PHI15 0 0 0.0000 66 70 72 74 0 27 PHI16 0 0 0.0000 70 72 74 78 0 28 PHI17 0 0 0.0000 72 74 78 82 0 29 PHI18 0 0 0.0000 74 78 82 84 0 30 PHI19 0 0 0.0000 78 82 84 86 0 31 PHI20 0 0 0.0000 82 84 86 90 0 32 PHI21 0 0 0.0000 84 86 90 94 0 33 PHI22 0 0 0.0000 86 90 94 95 0 34 PHI23 0 0 0.0000 90 94 95 97 0 35 PHI24 0 0 0.0000 94 95 97 104 0 36 CHI12 0 0 0.0000 95 97 98 99 102 37 PHI25 0 0 0.0000 95 97 104 109 0 38 PHI26 0 0 0.0000 106 113 117 121 0 39 PHI27 0 0 0.0000 113 117 121 128 0 40 CHI13 0 0 0.0000 117 121 122 123 126 41 PHI28 0 0 0.0000 117 121 128 131 0 1 O7A O_HYD 0 0.0000 65.3710 10.6640 31.9010 2 3 0 0 0 2 HO7 H_OXY 0 0.0000 65.5830 10.5540 30.9820 1 0 0 0 0 3 P3B P_ALI 0 0.0000 63.9500 11.1920 32.0350 1 4 5 7 0 4 O9A O_XXX 0 0.0000 63.4880 11.9740 30.8240 3 0 0 0 0 5 O8A O_HYD 0 0.0000 62.9360 10.2030 32.5610 3 6 0 0 0 6 HO8 H_OXY 0 0.0000 63.1360 9.9950 33.4660 5 0 0 0 0 7 O3B O_EST 0 0.0000 64.0140 12.3460 33.1590 3 8 0 0 0 8 C3B C_ALI 0 0.0000 64.5010 12.0890 34.4710 7 9 31 32 0 9 C2B C_ALI 0 0.0000 65.7540 12.9080 34.7820 8 10 12 30 0 10 O2B O_HYD 0 0.0000 66.4940 13.2580 33.6020 9 11 0 0 0 11 H7 H_OXY 0 0.0000 65.8990 13.3350 32.8660 10 0 0 0 0 12 C1B C_ALI 0 0.0000 65.1870 14.1290 35.4850 9 13 29 33 0 13 N9A N_AMO 0 0.0000 66.0580 14.7380 36.5360 12 14 25 0 0 14 C4A C_ARO 0 0.0000 66.7330 15.8900 36.4070 13 15 21 0 0 15 C5A C_ARO 0 0.0000 67.3860 16.1430 37.6050 14 16 26 0 0 16 C6A C_ARO 0 0.0000 68.2270 17.3840 37.7000 15 17 23 0 0 17 N6A N_AMO 0 0.0000 68.9030 17.7200 38.8310 16 18 19 0 0 18 HN61 H_AMI 0 0.0000 68.9110 17.1980 39.6840 17 0 0 0 20 19 HN62 H_AMI 0 0.0000 69.3910 18.5770 38.6660 17 0 0 0 20 20 Q1 PSEUD 0 0.0000 69.1510 17.8875 39.1750 0 0 0 0 0 21 N3A N_AMO 0 0.0000 66.8770 16.7710 35.3780 14 22 0 0 0 22 C2A C_ARO 0 0.0000 67.6360 17.8820 35.4880 21 23 24 0 0 23 N1A N_AMO 0 0.0000 68.3050 18.1930 36.6140 16 22 0 0 0 24 H11 H_ALI 0 0.0000 67.7090 18.5470 34.6400 22 0 0 0 0 25 C8A C_ARO 0 0.0000 66.2570 14.2790 37.7830 13 26 28 0 0 26 N7A N_AMO 0 0.0000 67.0760 15.1290 38.4480 15 25 27 0 0 27 HN7 H_AMI 0 0.0000 67.3940 15.0260 39.3910 26 0 0 0 0 28 H9 H_ALI 0 0.0000 65.8310 13.3740 38.1910 25 0 0 0 0 29 H1' H_ALI 0 0.0000 65.0920 14.9280 34.7350 12 0 0 0 0 30 H2' H_ALI 0 0.0000 66.4860 12.3550 35.3890 9 0 0 0 0 31 H3' H_ALI 0 0.0000 64.7460 11.0190 34.5500 8 0 0 0 0 32 C4B C_ALI 0 0.0000 63.4260 12.5300 35.4500 8 33 34 35 0 33 O4B O_EST 0 0.0000 63.9230 13.7260 36.0530 12 32 0 0 0 34 H4' H_ALI 0 0.0000 62.4710 12.6860 34.9270 32 0 0 0 0 35 C5B C_ALI 0 0.0000 63.1490 11.4760 36.5210 32 36 37 39 0 36 H5'1 H_ALI 0 0.0000 62.4390 11.8950 37.2500 35 0 0 0 38 37 H5'2 H_ALI 0 0.0000 64.0960 11.2070 37.0110 35 0 0 0 38 38 Q2 PSEUD 0 0.0000 63.2675 11.5510 37.1305 0 0 0 0 0 39 O5B O_EST 0 0.0000 62.5710 10.2960 35.9460 35 40 0 0 0 40 P1A P_ALI 0 0.0000 61.5110 9.3420 36.7310 39 41 43 44 0 41 O1A O_HYD 0 0.0000 61.0020 8.3500 35.7080 40 42 0 0 0 42 HO1 H_OXY 0 0.0000 60.8950 8.7850 34.8700 41 0 0 0 0 43 O2A O_XXX 0 0.0000 62.1820 8.8390 37.9820 40 0 0 0 0 44 O3A O_EST 0 0.0000 60.3280 10.3770 37.1770 40 45 0 0 0 45 P2A P_ALI 0 0.0000 58.7300 10.3320 36.8370 44 46 48 49 0 46 O4A O_HYD 0 0.0000 58.1270 11.6310 37.3270 45 47 0 0 0 47 HO4 H_OXY 0 0.0000 58.0010 11.5870 38.2680 46 0 0 0 0 48 O5A O_XXX 0 0.0000 58.5190 9.9560 35.3820 45 0 0 0 0 49 O6A O_EST 0 0.0000 58.1560 9.1350 37.7610 45 50 0 0 0 50 CCP C_ALI 0 0.0000 57.9460 9.2790 39.1710 49 51 52 54 0 51 H41 H_ALI 0 0.0000 56.9090 9.6070 39.3340 50 0 0 0 53 52 H42 H_ALI 0 0.0000 58.6620 10.0170 39.5620 50 0 0 0 53 53 Q3 PSEUD 0 0.0000 57.7855 9.8120 39.4480 0 0 0 0 0 54 CBP C_ALI 0 0.0000 58.1530 7.9500 39.9120 50 55 60 66 0 55 CDP C_ALI 0 0.0000 58.0950 8.2980 41.4000 54 56 57 58 0 56 H11X H_ALI 0 0.0000 57.1830 8.8780 41.6050 55 0 0 0 59 57 H12 H_ALI 0 0.0000 58.9790 8.8940 41.6720 55 0 0 0 59 58 H13 H_ALI 0 0.0000 58.0810 7.3720 41.9930 55 0 0 0 59 59 Q4 PSEUD 0 0.0000 58.0810 8.3813 41.7567 0 0 0 0 65 60 CEP C_ALI 0 0.0000 56.9890 6.9990 39.5650 54 61 62 63 0 61 H141 H_ALI 0 0.0000 57.3910 6.0660 39.1440 60 0 0 0 64 62 H142 H_ALI 0 0.0000 56.3300 7.4800 38.8270 60 0 0 0 64 63 H143 H_ALI 0 0.0000 56.4160 6.7730 40.4760 60 0 0 0 64 64 Q5 PSEUD 0 0.0000 56.7123 6.7730 39.4823 0 0 0 0 65 65 QQA PSEUD 0 0.0000 57.3967 7.5772 40.6195 0 0 0 0 0 66 CAP C_ALI 0 0.0000 59.5410 7.3660 39.5390 54 67 69 70 0 67 OAP O_HYD 0 0.0000 60.5960 8.2730 39.9180 66 68 0 0 0 68 H3 H_OXY 0 0.0000 61.1310 8.4720 39.1590 67 0 0 0 0 69 H1 H_ALI 0 0.0000 59.5210 7.2590 38.4440 66 0 0 0 0 70 C9P C_BYL 0 0.0000 59.8130 5.9600 40.0610 66 71 72 0 0 71 O9P O_BYL 0 0.0000 59.3620 4.9840 39.4680 70 0 0 0 0 72 N8P N_AMI 0 0.0000 60.5750 5.8350 41.1530 70 73 74 0 0 73 HN8 H_AMI 0 0.0000 60.9190 6.6860 41.5510 72 0 0 0 0 74 C7P C_ALI 0 0.0000 60.9640 4.6000 41.8340 72 75 76 78 0 75 H71 H_ALI 0 0.0000 61.9180 4.7290 42.3660 74 0 0 0 77 76 H72 H_ALI 0 0.0000 61.0990 3.7880 41.1050 74 0 0 0 77 77 Q6 PSEUD 0 0.0000 61.5085 4.2585 41.7355 0 0 0 0 0 78 C6P C_ALI 0 0.0000 59.8310 4.2540 42.8150 74 79 80 82 0 79 H61 H_ALI 0 0.0000 60.2110 3.4950 43.5150 78 0 0 0 81 80 H62 H_ALI 0 0.0000 58.9710 3.8820 42.2390 78 0 0 0 81 81 Q7 PSEUD 0 0.0000 59.5910 3.6885 42.8770 0 0 0 0 0 82 C5P C_BYL 0 0.0000 59.3830 5.4590 43.6290 78 83 84 0 0 83 O5P O_BYL 0 0.0000 60.2120 6.2030 44.1320 82 0 0 0 0 84 N4P N_AMI 0 0.0000 58.0600 5.6730 43.7000 82 85 86 0 0 85 HN4 H_AMI 0 0.0000 57.5140 4.9790 43.2310 84 0 0 0 0 86 C3P C_ALI 0 0.0000 57.2590 6.7270 44.3320 84 87 88 90 0 87 H31 H_ALI 0 0.0000 56.2370 6.3410 44.4610 86 0 0 0 89 88 H32 H_ALI 0 0.0000 57.2820 7.6170 43.6860 86 0 0 0 89 89 Q8 PSEUD 0 0.0000 56.7595 6.9790 44.0735 0 0 0 0 0 90 C2P C_ALI 0 0.0000 57.7890 7.1160 45.7100 86 91 92 94 0 91 H21 H_ALI 0 0.0000 58.7290 7.6790 45.6110 90 0 0 0 93 92 H22 H_ALI 0 0.0000 57.9870 6.2120 46.3050 90 0 0 0 93 93 Q9 PSEUD 0 0.0000 58.3580 6.9455 45.9580 0 0 0 0 0 94 S1P S_RED 0 0.0000 56.5640 8.1070 46.5090 90 95 0 0 0 95 C1 C_BYL 0 0.0000 55.5240 7.0930 47.3540 94 96 97 0 0 96 O1 O_BYL 0 0.0000 55.5340 5.8900 47.0940 95 0 0 0 0 97 C2 C_ALI 0 0.0000 54.6060 7.6060 48.4490 95 98 103 104 0 98 C13 C_ALI 0 0.0000 53.2430 6.9120 48.4400 97 99 100 101 0 99 H131 H_ALI 0 0.0000 53.3280 5.9450 47.9220 98 0 0 0 102 100 H132 H_ALI 0 0.0000 52.5120 7.5460 47.9170 98 0 0 0 102 101 H133 H_ALI 0 0.0000 52.9090 6.7450 49.4750 98 0 0 0 102 102 Q10 PSEUD 0 0.0000 52.9163 6.7453 48.4380 0 0 0 0 0 103 H2 H_ALI 0 0.0000 55.1370 7.3430 49.3760 97 0 0 0 0 104 C3 C_ARO 0 0.0000 54.4290 9.0830 48.4770 97 105 109 0 0 105 C5 C_ARO 0 0.0000 53.4900 9.7250 47.6710 104 106 108 0 0 106 C6 C_ARO 0 0.0000 53.3310 11.1050 47.7250 105 107 113 0 0 107 H6 H_ALI 0 0.0000 52.6030 11.5930 47.0940 106 0 0 0 115 108 H5 H_ALI 0 0.0000 52.8790 9.1430 46.9970 105 0 0 0 114 109 C4 C_ARO 0 0.0000 55.2080 9.8330 49.3540 104 110 111 0 0 110 H4 H_ALI 0 0.0000 55.9290 9.3440 49.9920 109 0 0 0 114 111 C8 C_ARO 0 0.0000 55.0530 11.2160 49.4050 109 112 113 0 0 112 H8 H_ALI 0 0.0000 55.6650 11.7990 50.0770 111 0 0 0 115 113 C7 C_ARO 0 0.0000 54.1150 11.8530 48.5970 106 111 117 0 0 114 Q14 PSEUD 0 0.0000 54.4040 9.2435 48.4945 0 0 0 0 116 115 Q15 PSEUD 0 0.0000 54.1340 11.6960 48.5855 0 0 0 0 116 116 QQC PSEUD 0 0.0000 54.2690 10.4697 48.5400 0 0 0 0 0 117 C9 C_ALI 0 0.0000 53.9610 13.3560 48.6760 113 118 119 121 0 118 H91 H_ALI 0 0.0000 54.5970 13.7380 49.4880 117 0 0 0 120 119 H92 H_ALI 0 0.0000 52.9070 13.6010 48.8720 117 0 0 0 120 120 Q11 PSEUD 0 0.0000 53.7520 13.6695 49.1800 0 0 0 0 0 121 C10 C_ALI 0 0.0000 54.3900 14.0030 47.3640 117 122 127 128 0 122 C12 C_ALI 0 0.0000 53.3730 15.0490 46.9370 121 123 124 125 0 123 H121 H_ALI 0 0.0000 52.4600 14.5490 46.5810 122 0 0 0 126 124 H122 H_ALI 0 0.0000 53.7950 15.6620 46.1270 122 0 0 0 126 125 H123 H_ALI 0 0.0000 53.1270 15.6940 47.7940 122 0 0 0 126 126 Q12 PSEUD 0 0.0000 53.1273 15.3017 46.8340 0 0 0 0 0 127 H10 H_ALI 0 0.0000 54.4290 13.2240 46.5880 121 0 0 0 133 128 C11 C_ALI 0 0.0000 55.7860 14.5990 47.4750 121 129 130 131 0 129 H111 H_ALI 0 0.0000 56.4320 13.9160 48.0460 128 0 0 0 132 130 H112 H_ALI 0 0.0000 55.7300 15.5690 47.9910 128 0 0 0 132 131 H113 H_ALI 0 0.0000 56.2050 14.7430 46.4680 128 0 0 0 132 132 Q13 PSEUD 0 0.0000 56.1223 14.7427 47.5017 0 0 0 0 0 133 QQB PSEUD 0 0.0000 NaN 6.6120 23.2940 0 0 0 0 133