REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "(S)-IBUPROFENOYL-COENZYME A" RESIDUE SFC 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 58.0710 5.6160 43.8200 82 85 86 0 0 85 HN4 H_AMI 0 0.0000 57.4700 4.9350 43.4000 84 0 0 0 0 86 C3P C_ALI 0 0.0000 57.4270 6.6800 44.5790 84 87 88 90 0 87 H31 H_ALI 0 0.0000 56.3300 6.6310 44.5210 86 0 0 0 89 88 H32 H_ALI 0 0.0000 57.6980 7.6710 44.1850 86 0 0 0 89 89 Q8 PSEUD 0 0.0000 57.0140 7.1510 44.3530 0 0 0 0 0 90 C2P C_ALI 0 0.0000 57.9440 6.4900 46.0060 86 91 92 94 0 91 H21 H_ALI 0 0.0000 59.0430 6.5420 46.0030 90 0 0 0 93 92 H22 H_ALI 0 0.0000 57.6180 5.5100 46.3840 90 0 0 0 93 93 Q9 PSEUD 0 0.0000 58.3305 6.0260 46.1935 0 0 0 0 0 94 S1P S_RED 0 0.0000 57.3080 7.7550 47.0470 90 95 0 0 0 95 C1 C_BYL 0 0.0000 55.7510 7.2840 47.4510 94 96 97 0 0 96 O1 O_BYL 0 0.0000 55.4660 6.0850 47.4990 95 0 0 0 0 97 C2 C_ALI 0 0.0000 54.6870 8.3200 47.7200 95 98 103 104 0 98 C13 C_ALI 0 0.0000 53.5890 7.7810 48.6470 97 99 100 101 0 99 H131 H_ALI 0 0.0000 53.2340 6.8110 48.2690 98 0 0 0 102 100 H132 H_ALI 0 0.0000 52.7510 8.4930 48.6760 98 0 0 0 102 101 H133 H_ALI 0 0.0000 53.9950 7.6520 49.6610 98 0 0 0 102 102 Q10 PSEUD 0 0.0000 53.3267 7.6520 48.8687 0 0 0 0 0 103 H2 H_ALI 0 0.0000 54.2320 8.5390 46.7430 97 0 0 0 0 104 C3 C_ARO 0 0.0000 55.2340 9.6100 48.2280 97 105 109 0 0 105 C5 C_ARO 0 0.0000 54.9140 10.7780 47.5390 104 106 108 0 0 106 C6 C_ARO 0 0.0000 55.4010 12.0090 47.9810 105 107 113 0 0 107 H6 H_ALI 0 0.0000 55.1410 12.9100 47.4450 106 0 0 0 115 108 H5 H_ALI 0 0.0000 54.2870 10.7310 46.6610 105 0 0 0 114 109 C4 C_ARO 0 0.0000 56.0420 9.6810 49.3710 104 110 111 0 0 110 H4 H_ALI 0 0.0000 56.2890 8.7820 49.9160 109 0 0 0 114 111 C8 C_ARO 0 0.0000 56.5280 10.9200 49.8050 109 112 113 0 0 112 H8 H_ALI 0 0.0000 57.1470 10.9710 50.6880 111 0 0 0 115 113 C7 C_ARO 0 0.0000 56.2210 12.0900 49.1090 106 111 117 0 0 114 Q14 PSEUD 0 0.0000 55.2880 9.7565 48.2885 0 0 0 0 116 115 Q15 PSEUD 0 0.0000 56.1440 11.9405 49.0665 0 0 0 0 116 116 QQC PSEUD 0 0.0000 55.7160 10.8485 48.6775 0 0 0 0 0 117 C9 C_ALI 0 0.0000 56.7110 13.4480 49.6020 113 118 119 121 0 118 H91 H_ALI 0 0.0000 56.7250 13.3670 50.6990 117 0 0 0 120 119 H92 H_ALI 0 0.0000 56.0300 14.2050 49.1850 117 0 0 0 120 120 Q11 PSEUD 0 0.0000 56.3775 13.7860 49.9420 0 0 0 0 0 121 C10 C_ALI 0 0.0000 58.1310 13.8650 49.2150 117 122 127 128 0 122 C12 C_ALI 0 0.0000 58.1520 15.3720 48.9370 121 123 124 125 0 123 H121 H_ALI 0 0.0000 57.2590 15.6500 48.3580 122 0 0 0 126 124 H122 H_ALI 0 0.0000 59.0550 15.6260 48.3630 122 0 0 0 126 125 H123 H_ALI 0 0.0000 58.1570 15.9210 49.8900 122 0 0 0 126 126 Q12 PSEUD 0 0.0000 58.1570 15.7323 48.8703 0 0 0 0 0 127 H10 H_ALI 0 0.0000 58.4130 13.3220 48.3010 121 0 0 0 133 128 C11 C_ALI 0 0.0000 59.1770 13.4630 50.2630 121 129 130 131 0 129 H111 H_ALI 0 0.0000 58.8940 12.5000 50.7130 128 0 0 0 132 130 H112 H_ALI 0 0.0000 59.2260 14.2340 51.0460 128 0 0 0 132 131 H113 H_ALI 0 0.0000 60.1610 13.3670 49.7810 128 0 0 0 132 132 Q13 PSEUD 0 0.0000 59.4270 13.3670 50.5133 0 0 0 0 0 133 QQB PSEUD 0 0.0000 NaN 6.6610 24.1505 0 0 0 0 133