REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile RESIDUE MI1 12 49 1 49 1 CHI1 0 0 0.0000 15 1 2 3 14 2 CHI2 0 0 0.0000 1 2 3 4 11 3 CHI3 0 0 0.0000 2 3 4 5 11 4 CHI4 0 0 0.0000 3 4 6 7 11 5 CHI5 0 0 0.0000 4 6 7 8 8 6 CHI6 0 0 0.0000 2 1 15 16 29 7 CHI7 0 0 0.0000 1 15 16 17 23 8 CHI8 0 0 0.0000 15 16 17 18 20 9 CHI9 0 0 0.0000 1 15 24 25 28 10 PHI1 0 0 0.0000 2 1 31 37 0 11 CHI10 0 0 0.0000 1 31 32 33 36 12 PHI2 0 0 0.0000 1 31 37 49 0 1 C1 C_ALI 0 0.0000 -0.2850 -0.0340 -0.0940 2 15 30 31 0 2 C2 C_ALI 0 0.0000 -1.4650 0.6810 -0.7590 1 3 12 13 0 3 N3 N_AMO 0 0.0000 -2.6760 -0.1310 -0.5720 2 4 17 0 0 4 C20 C_BYL 0 0.0000 -3.7860 0.4070 -0.0300 3 5 6 0 0 5 O21 O_BYL 0 0.0000 -3.7930 1.5720 0.3080 4 0 0 0 0 6 C22 C_ALI 0 0.0000 -5.0200 -0.4390 0.1560 4 7 9 10 0 7 C23 C_XXX 0 0.0000 -6.0860 0.3750 0.7620 6 8 0 0 0 8 N24 N_AMO 0 0.0000 -6.9090 1.0040 1.2300 7 0 0 0 0 9 H22 H_ALI 0 0.0000 -5.3530 -0.8120 -0.8120 6 0 0 0 11 10 H22A H_ALI 0 0.0000 -4.7890 -1.2800 0.8100 6 0 0 0 11 11 Q1 PSEUD 0 0.0000 -5.0710 -1.0460 -0.0010 0 0 0 0 0 12 H2 H_ALI 0 0.0000 -1.6070 1.6580 -0.2990 2 0 0 0 14 13 H2A H_ALI 0 0.0000 -1.2660 0.8030 -1.8240 2 0 0 0 14 14 Q2 PSEUD 0 0.0000 -1.4365 1.2305 -1.0615 0 0 0 0 0 15 C6 C_ALI 0 0.0000 -0.1790 -1.4570 -0.6470 1 16 24 29 0 16 C5 C_ALI 0 0.0000 -1.4580 -2.2300 -0.3190 15 17 21 22 0 17 C4 C_ALI 0 0.0000 -2.6520 -1.5410 -0.9860 3 16 18 19 0 18 H4 H_ALI 0 0.0000 -2.5510 -1.6020 -2.0690 17 0 0 0 20 19 H4A H_ALI 0 0.0000 -3.5760 -2.0300 -0.6770 17 0 0 0 20 20 Q3 PSEUD 0 0.0000 -3.0635 -1.8160 -1.3730 0 0 0 0 0 21 H5 H_ALI 0 0.0000 -1.6050 -2.2490 0.7610 16 0 0 0 23 22 H5A H_ALI 0 0.0000 -1.3720 -3.2510 -0.6920 16 0 0 0 23 23 Q4 PSEUD 0 0.0000 -1.4885 -2.7500 0.0345 0 0 0 0 0 24 C7 C_ALI 0 0.0000 0.0080 -1.4030 -2.1640 15 25 26 27 0 25 H7 H_ALI 0 0.0000 0.9550 -0.9140 -2.3960 24 0 0 0 28 26 H7A H_ALI 0 0.0000 0.0140 -2.4160 -2.5670 24 0 0 0 28 27 H7B H_ALI 0 0.0000 -0.8110 -0.8390 -2.6110 24 0 0 0 28 28 Q5 PSEUD 0 0.0000 0.0527 -1.3897 -2.5247 0 0 0 0 0 29 H6 H_ALI 0 0.0000 0.6760 -1.9600 -0.1940 15 0 0 0 0 30 H1 H_ALI 0 0.0000 -0.4420 -0.0730 0.9830 1 0 0 0 0 31 N8 N_AMI 0 0.0000 0.9560 0.6970 -0.3830 1 32 37 0 0 32 C9 C_ALI 0 0.0000 0.8100 2.1250 -0.0720 31 33 34 35 0 33 H9 H_ALI 0 0.0000 0.4660 2.2400 0.9570 32 0 0 0 36 34 H9A H_ALI 0 0.0000 1.7720 2.6240 -0.1910 32 0 0 0 36 35 H9B H_ALI 0 0.0000 0.0830 2.5720 -0.7490 32 0 0 0 36 36 Q6 PSEUD 0 0.0000 0.7737 2.4787 0.0057 0 0 0 0 0 37 C10 C_ARO 0 0.0000 2.0260 0.1480 0.3020 31 38 49 0 0 38 C15 C_ARO 0 0.0000 3.3460 0.4380 -0.0750 37 39 43 0 0 39 C16 C_ARO 0 0.0000 3.9710 1.2560 -1.1120 38 40 42 0 0 40 C11 C_ARO 0 0.0000 5.2990 1.1270 -0.9610 39 41 44 0 0 41 H11 H_ALI 0 0.0000 6.0440 1.6100 -1.5760 40 0 0 0 0 42 H16 H_ALI 0 0.0000 3.4630 1.8500 -1.8580 39 0 0 0 0 43 C14 C_ARO 0 0.0000 4.3990 -0.1460 0.6530 38 44 46 0 0 44 N12 N_AMO 0 0.0000 5.5680 0.2910 0.0920 40 43 45 0 0 45 HN12 H_AMI 0 0.0000 6.4560 0.0450 0.3950 44 0 0 0 0 46 N17 N_AMO 0 0.0000 4.1000 -0.9510 1.6710 43 47 0 0 0 47 C18 C_ARO 0 0.0000 2.8470 -1.1950 1.9890 46 48 49 0 0 48 H18 H_ALI 0 0.0000 2.6420 -1.8530 2.8200 47 0 0 0 0 49 N19 N_AMI 0 0.0000 1.8290 -0.6640 1.3360 37 47 0 0 0