REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT" RESIDUE NAE 29 85 1 85 1 CHI1 0 0 0.0000 2 1 3 4 4 2 CHI2 0 0 0.0000 2 1 5 6 37 3 CHI3 0 0 0.0000 1 5 6 7 37 4 CHI4 0 0 0.0000 5 6 7 8 34 5 CHI5 0 0 0.0000 6 7 8 9 25 6 CHI6 0 0 0.0000 7 8 9 10 25 7 CHI7 0 0 0.0000 8 9 10 11 24 8 CHI8 0 0 0.0000 15 16 17 18 20 9 CHI9 0 0 0.0000 6 7 26 27 33 10 CHI10 0 0 0.0000 7 26 27 28 28 11 CHI11 0 0 0.0000 7 26 29 30 32 12 CHI12 0 0 0.0000 26 29 30 31 31 13 PHI1 0 0 0.0000 2 1 38 39 0 14 PHI2 0 0 0.0000 1 38 39 42 0 15 PHI3 0 0 0.0000 38 39 42 43 0 16 PHI4 0 0 0.0000 39 42 43 47 0 17 PHI5 0 0 0.0000 42 43 47 57 0 18 CHI13 0 0 0.0000 43 47 48 49 55 19 CHI14 0 0 0.0000 47 48 49 50 50 20 CHI15 0 0 0.0000 47 48 51 52 54 21 CHI16 0 0 0.0000 48 51 52 53 53 22 PHI6 0 0 0.0000 43 47 57 58 0 23 PHI7 0 0 0.0000 47 57 58 60 0 24 PHI8 0 0 0.0000 57 58 60 65 0 25 CHI17 0 0 0.0000 65 67 68 69 73 26 CHI18 0 0 0.0000 67 68 70 71 73 27 PHI9 0 0 0.0000 62 74 75 79 0 28 PHI10 0 0 0.0000 74 75 79 81 0 29 PHI11 0 0 0.0000 75 79 81 84 0 1 PA P_ALI 0 0.0000 -1.6240 0.5110 0.7780 2 3 5 38 0 2 O1A O_XXX 0 0.0000 -2.0750 -0.4610 1.7980 1 0 0 0 0 3 O2A O_HYD 0 0.0000 -0.9010 1.7530 1.5030 1 4 0 0 0 4 HOA2 H_OXY 0 0.0000 -0.6230 2.3610 0.8040 3 0 0 0 0 5 O5' O_EST 0 0.0000 -2.8940 1.0420 -0.0570 1 6 0 0 0 6 C5' C_ALI 0 0.0000 -3.8270 1.5570 0.8940 5 7 35 36 0 7 C4' C_ALI 0 0.0000 -5.0650 2.0810 0.1620 6 8 26 34 0 8 O4' O_EST 0 0.0000 -5.7700 0.9880 -0.4490 7 9 0 0 0 9 C1' C_ALI 0 0.0000 -7.1760 1.3080 -0.3910 8 10 25 29 0 10 N9A N_AMO 0 0.0000 -7.9870 0.0950 -0.5120 9 11 14 0 0 11 C8A C_ARO 0 0.0000 -7.5880 -1.1750 -0.2170 10 12 13 0 0 12 N7A N_AMO 0 0.0000 -8.5610 -2.0100 -0.4410 11 15 0 0 0 13 H8A H_ALI 0 0.0000 -6.6090 -1.4480 0.1480 11 0 0 0 0 14 C4A C_ARO 0 0.0000 -9.2900 0.0280 -0.9380 10 15 21 0 0 15 C5A C_ARO 0 0.0000 -9.6430 -1.3320 -0.8910 12 14 16 0 0 16 C6A C_ARO 0 0.0000 -10.9430 -1.6930 -1.2850 15 17 23 0 0 17 N6A N_AMO 0 0.0000 -11.3500 -3.0150 -1.2550 16 18 19 0 0 18 H6A1 H_AMI 0 0.0000 -10.7350 -3.7050 -0.9600 17 0 0 0 20 19 H6A2 H_AMI 0 0.0000 -12.2500 -3.2520 -1.5290 17 0 0 0 20 20 Q1 PSEUD 0 0.0000 -11.4925 -3.4785 -1.2445 0 0 0 0 0 21 N3A N_AMO 0 0.0000 -10.1870 0.9140 -1.3580 14 22 0 0 0 22 C2A C_ARO 0 0.0000 -11.3930 0.5290 -1.7170 21 23 24 0 0 23 N1A N_AMO 0 0.0000 -11.7730 -0.7350 -1.6850 16 22 0 0 0 24 H2A H_ALI 0 0.0000 -12.0990 1.2760 -2.0490 22 0 0 0 0 25 H1' H_ALI 0 0.0000 -7.4400 2.0240 -1.1700 9 0 0 0 0 26 C3' C_ALI 0 0.0000 -6.0260 2.7450 1.1670 7 27 29 33 0 27 O3' O_HYD 0 0.0000 -6.2350 4.1200 0.8360 26 28 0 0 0 28 HO'3 H_OXY 0 0.0000 -6.8880 4.4620 1.4610 27 0 0 0 0 29 C2' C_ALI 0 0.0000 -7.3440 1.9430 1.0130 9 26 30 32 0 30 O2' O_HYD 0 0.0000 -8.4770 2.8140 1.0470 29 31 0 0 0 31 HO'2 H_OXY 0 0.0000 -8.5250 3.1750 1.9430 30 0 0 0 0 32 H2' H_ALI 0 0.0000 -7.4250 1.1740 1.7810 29 0 0 0 0 33 H3' H_ALI 0 0.0000 -5.6390 2.6530 2.1820 26 0 0 0 0 34 H4' H_ALI 0 0.0000 -4.7670 2.8030 -0.5990 7 0 0 0 0 35 H5'1 H_ALI 0 0.0000 -4.1200 0.7640 1.5820 6 0 0 0 37 36 H5'2 H_ALI 0 0.0000 -3.3640 2.3710 1.4530 6 0 0 0 37 37 Q2 PSEUD 0 0.0000 -3.7420 1.5675 1.5175 0 0 0 0 0 38 OPP O_EST 0 0.0000 -0.5850 -0.2050 -0.2230 1 39 0 0 0 39 PN P_ALI 0 0.0000 0.3530 -1.1520 0.6800 38 40 41 42 0 40 O1N O_XXX 0 0.0000 -0.3940 -2.4670 0.9950 39 0 0 0 0 41 O2N O_XXX 0 0.0000 0.6990 -0.4270 2.0000 39 0 0 0 0 42 O5B O_EST 0 0.0000 1.7100 -1.4840 -0.1210 39 43 0 0 0 43 C5B C_ALI 0 0.0000 2.5460 -2.2240 0.7710 42 44 45 47 0 44 H5A1 H_ALI 0 0.0000 2.0380 -3.1410 1.0680 43 0 0 0 46 45 H5A2 H_ALI 0 0.0000 2.7560 -1.6220 1.6550 43 0 0 0 46 46 Q3 PSEUD 0 0.0000 2.3970 -2.3815 1.3615 0 0 0 0 0 47 C4B C_ALI 0 0.0000 3.8590 -2.5730 0.0680 43 48 56 57 0 48 C3B C_ALI 0 0.0000 4.7620 -3.4140 0.9960 47 49 51 55 0 49 O3B O_HYD 0 0.0000 4.6420 -4.8040 0.6860 48 50 0 0 0 50 HOA3 H_OXY 0 0.0000 5.2260 -5.2780 1.2950 49 0 0 0 0 51 C2B C_ALI 0 0.0000 6.1920 -2.9110 0.6890 48 52 54 58 0 52 O2B O_HYD 0 0.0000 6.9990 -3.9750 0.1820 51 53 0 0 0 53 HOB2 H_OXY 0 0.0000 7.0430 -4.6470 0.8750 52 0 0 0 0 54 H2B H_ALI 0 0.0000 6.6450 -2.4800 1.5810 51 0 0 0 0 55 H3B H_ALI 0 0.0000 4.5090 -3.2340 2.0410 48 0 0 0 0 56 H4B H_ALI 0 0.0000 3.6610 -3.1120 -0.8590 47 0 0 0 0 57 O4B O_EST 0 0.0000 4.6200 -1.3750 -0.2010 47 58 0 0 0 58 C1B C_ALI 0 0.0000 5.9800 -1.8220 -0.3870 51 57 59 60 0 59 H1B H_ALI 0 0.0000 6.1080 -2.2450 -1.3840 58 0 0 0 0 60 N1N N_AMI 0 0.0000 6.9150 -0.7130 -0.1810 58 61 65 0 0 61 C6N C_ARO 0 0.0000 6.6560 0.1760 0.7590 60 62 64 0 0 62 C5N C_ARO 0 0.0000 7.5100 1.2400 0.9900 61 63 74 0 0 63 H5N H_ALI 0 0.0000 7.2870 1.9600 1.7630 62 0 0 0 0 64 H6N H_ALI 0 0.0000 5.7640 0.0710 1.3590 61 0 0 0 0 65 C2N C_ARO 0 0.0000 7.9880 -0.6320 -0.9390 60 66 67 0 0 66 H2N H_ALI 0 0.0000 8.1650 -1.3790 -1.6980 65 0 0 0 0 67 C3N C_ARO 0 0.0000 8.8960 0.4150 -0.7730 65 68 74 0 0 68 C7N C_BYL 0 0.0000 10.1010 0.5070 -1.6250 67 69 70 0 0 69 O7N O_BYL 0 0.0000 10.8850 1.4230 -1.4720 68 0 0 0 0 70 N7N N_AMO 0 0.0000 10.3310 -0.4260 -2.5700 68 71 72 0 0 71 H7N1 H_AMI 0 0.0000 9.7050 -1.1570 -2.6920 70 0 0 0 73 72 H7N2 H_AMI 0 0.0000 11.1210 -0.3660 -3.1290 70 0 0 0 73 73 Q4 PSEUD 0 0.0000 10.4130 -0.7615 -2.9105 0 0 0 0 0 74 C4N C_ARO 0 0.0000 8.6520 1.3710 0.2200 62 67 75 0 0 75 C4P C_ALI 0 0.0000 9.6060 2.5170 0.4410 74 76 77 79 0 76 H4P1 H_ALI 0 0.0000 10.6270 2.1790 0.2650 75 0 0 0 78 77 H4P2 H_ALI 0 0.0000 9.5130 2.8740 1.4670 75 0 0 0 78 78 Q5 PSEUD 0 0.0000 10.0700 2.5265 0.8660 0 0 0 0 0 79 C3P C_BYL 0 0.0000 9.2750 3.6360 -0.5120 75 80 81 0 0 80 OP O_BYL 0 0.0000 8.3600 3.5160 -1.2910 79 0 0 0 0 81 C2P C_ALI 0 0.0000 10.0870 4.9060 -0.4940 79 82 83 84 0 82 H2P1 H_ALI 0 0.0000 9.7030 5.5930 -1.2480 81 0 0 0 85 83 H2P2 H_ALI 0 0.0000 10.0160 5.3680 0.4900 81 0 0 0 85 84 H2P3 H_ALI 0 0.0000 11.1300 4.6730 -0.7120 81 0 0 0 85 85 Q6 PSEUD 0 0.0000 10.2830 5.2113 -0.4900 0 0 0 0 0