NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage position program type
10171 1pbz cing 1-original 5 DISCOVER dihedral angle 

!this is the restraints to fix the peptide bond
1:CYS_1D:CA 1:CYS_1D:C 1:GLY_2:N 1:GLY_2:CA 170 -170 100 100 1000
1:GLY_2:CA 1:GLY_2:C 1:ALA_3:N 1:ALA_3:CA 170 -170 100 100 1000
1:ALA_3:CA 1:ALA_3:C 1:GLU-_4:N 1:GLU-_4:CA 170 -170 100 100 1000
1:GLU-_4:CA 1:GLU-_4:C 1:ALA_5:N 1:ALA_5:CA 170 -170 100 100 1000
1:ALA_5:CA 1:ALA_5:C 1:ALA_6:N 1:ALA_6:CA 170 -170 100 100 1000
1:ALA_6:CA 1:ALA_6:C 1:LYS+_7:N 1:LYS+_7:CA 170 -170 100 100 1000
1:LYS+_7:CA 1:LYS+_7:C 1:ALA_8:N 1:ALA_8:CA 170 -170 100 100 1000
1:ALA_8:CA 1:ALA_8:C 1:HISD_9:N 1:HISD_9:CA 170 -170 100 100 1000
1:HISD_9:CA 1:HISD_9:C 1:ALA_10:N 1:ALA_10:CA 170 -170 100 100 1000
1:ALA_10:CA 1:ALA_10:C 1:LYS+_11:N 1:LYS+_11:CA 170 -170 100 100 1000
1:LYS+_11:CA 1:LYS+_11:C 1:ALA_12:N 1:ALA_12:CA 170 -170 100 100 1000
1:ALA_12:CA 1:ALA_12:C 1:ALA_13:N 1:ALA_13:CA 170 -170 100 100 1000
1:ALA_13:CA 1:ALA_13:C 1:GLU-_14:N 1:GLU-_14:CA 170 -170 100 100 1000
1:GLU-_14:CA 1:GLU-_14:C 1:ALA_15:N 1:ALA_15:CA 170 -170 100 100 1000
1:ALA_15:CA 1:ALA_15:C 1:GLY_16:N 1:GLY_16:CA 170 -170 100 100 1000
1:GLY_16:CA 1:GLY_16:C 1:CYS_17:N 1:CYS_17:CA 170 -170 100 100 1000
1:CYS_1C:CA 1:CYS_1C:C 1:GLY_2B:N 1:GLY_2B:CA 170 -170 100 100 1000
1:GLY_2B:CA 1:GLY_2B:C 1:ALA_20:N 1:ALA_20:CA 170 -170 100 100 1000
1:ALA_20:CA 1:ALA_20:C 1:GLU-_21:N 1:GLU-_21:CA 170 -170 100 100 1000
1:GLU-_21:CA 1:GLU-_21:C 1:ALA_22:N 1:ALA_22:CA 170 -170 100 100 1000
1:ALA_22:CA 1:ALA_22:C 1:ALA_23:N 1:ALA_23:CA 170 -170 100 100 1000
1:ALA_23:CA 1:ALA_23:C 1:LYS+_24:N 1:LYS+_24:CA 170 -170 100 100 1000
1:LYS+_24:CA 1:LYS+_24:C 1:ALA_25:N 1:ALA_25:CA 170 -170 100 100 1000
1:ALA_25:CA 1:ALA_25:C 1:HISD_26:N 1:HISD_26:CA 170 -170 100 100 1000
1:HISD_26:CA 1:HISD_26:C 1:ALA_27:N 1:ALA_27:CA 170 -170 100 100 1000
1:ALA_27:CA 1:ALA_27:C 1:LYS+_28:N 1:LYS+_28:CA 170 -170 100 100 1000
1:LYS+_28:CA 1:LYS+_28:C 1:ALA_29:N 1:ALA_29:CA 170 -170 100 100 1000
1:ALA_29:CA 1:ALA_29:C 1:ALA_30:N 1:ALA_30:CA 170 -170 100 100 1000
1:ALA_30:CA 1:ALA_30:C 1:GLU-_31:N 1:GLU-_31:CA 170 -170 100 100 1000
1:GLU-_31:CA 1:GLU-_31:C 1:ALA_32:N 1:ALA_32:CA 170 -170 100 100 1000
1:ALA_32:CA 1:ALA_32:C 1:GLY_33:N 1:GLY_33:CA 170 -170 100 100 1000
1:GLY_33:CA 1:GLY_33:C 1:CYSN_34:N 1:CYSN_34:CA 170 -170 100 100 1000
!this is the restraints to fix the porphyrin plane
1:FRAG_1E:CO2 1:PORN_1B:N6B 1:PORN_1B:C6C 1:PORN_1B:CB 0 0 5000 500 1000
1:FRAG_1E:CO2 1:PORN_1B:N8B 1:PORN_1B:C8A 1:PORN_1B:CD 0 0 5000 500 1000
1:FRAG_1E:CO2 1:PORN_1B:N2B 1:PORN_1B:C2C 1:PORN_1B:CD 0 0 5000 500 1000
1:FRAG_1E:CO2 1:PORN_1B:N4B1 1:PORN_1B:C4A 1:PORN_1B:CB 0 0 5000 500 1000
!this is used to fix Im ring  
1:HISD_9:CG 1:HISD_9:ND1 1:HISD_9:CE1 1:HISD_9:NE2 0 0 1000 100 1000
1:HISD_9:ND1 1:HISD_9:CE1 1:HISD_9:NE2 1:HISD_9:CD2 0 0 1000 100 1000
1:HISD_26:CG 1:HISD_26:ND1 1:HISD_26:CE1 1:HISD_26:NE2 0 0 1000 100 1000
1:HISD_26:ND1 1:HISD_26:CE1 1:HISD_26:NE2 1:HISD_26:CD2 0 0 1000 100 1000
!

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