BMRB

NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
633630 6cm1 RC 30426 cing 1-original 1 unknown unknown 

# Restraints file 1: blade2_FC21.col
#
# protein backbone/sidechain RMSD restraint
#
Colvarstrajfrequency    1000
Colvarsrestartfrequency 1000

colvar {
   name bb_rmsd
   rmsd {
       atoms {
          atomsFile          restraints/bb_rmsd.ref
          atomsCol           B
          atomsColValue      1.0
       }
       refPositionsFile      restraints/bb_rmsd.ref
       refPositionsCol       B
       refPositionsColValue  1.0
   }
}

harmonic {
   colvars bb_rmsd
   centers 0
   forceConstant 1.0
}

colvar {
    name sc_rmsd
    rmsd {
       atoms {
          atomsFile          restraints/sc_rmsd.ref
          atomsCol           B
          atomsColValue      1.0
       }
       refPositionsFile      restraints/sc_rmsd.ref
       refPositionsCol       B
       refPositionsColValue  1.0
    }
}

harmonic {
  colvars sc_rmsd
  centers 0
  forceConstant 0.1
}
#harmonic {
#  colvars 357_10methyl
#  centers 0
#  forceConstant 1.0
#}
harmonic {
  colvars 380_10methyl
  centers 0
  forceConstant 1.0
 outputEnergy on
}
#harmonic {
#  colvars 389_10methyl
#  centers 0
#  forceConstant 1.0
#   outputEnergy on
#}
harmonic {
  colvars 357_5methyl
  centers 0
  forceConstant 1.0
   outputEnergy on
}
harmonic {
  colvars 380_5methyl
  centers 0
  forceConstant 1.0
   outputEnergy on
}


harmonic {
  colvars 389_5methyl
  centers 0
  forceConstant 1.0
   outputEnergy on
}
harmonic {
  colvars 395_5methyl
  centers 0
  forceConstant 1.0
   outputEnergy on
}
harmonic {
  colvars 442_5methyl
  centers 0
  forceConstant 1.0
   outputEnergy on
}
  harmonic {
  colvars BRD_330_NH
  centers 0
  forceConstant 0.1
}
#  harmonic {
#  colvars BRD_342_NH
#  centers 0
#  forceConstant 0.1
#}
  harmonic {
  colvars BRD_377_NH
  centers 0
  forceConstant 0.1
}
  harmonic {
  colvars BRD_379_NH
  centers 0
  forceConstant 0.1
}
  harmonic {
  colvars BRD_387_NH
  centers 0
  forceConstant 0.1
}
  harmonic {
  colvars BRD_396_NH
  centers 0
  forceConstant 0.1
}
  harmonic {
  colvars BRD_428_NH
  centers 0
  forceConstant 0.1
}
#  harmonic {
#    colvars BRD_342_NH
#    centers 0
#    forceConstant 0.1
#}
  harmonic {
    colvars CSP_330_NH
    centers 0
    forceConstant 0.1
}
#  harmonic {
#    colvars CSP_334_NH
#    centers 0
#    forceConstant 0.1
#}
  harmonic {
    colvars CSP_386_NH
    centers 0
    forceConstant 0.1
}
  harmonic {
    colvars CSP_387_NH
    centers 0
    forceConstant 0.1
}
#harmonic {
#  colvars CSP_422_NH
#  centers 0
#  forceConstant 0.1
#}


#Isoleucine 357 10 Doxyl Methyl--------------------------------------------- Blade 2
#colvar {
#	name 357_10methyl
#	UpperBoundary 21.18
#	LowerBoundary 2.00
#  outputVelocity          on
#  outputTotalForce        on
#  outputAppliedForce      on
#
#	distanceXY {
#		main {
#		atomnumbers { 683 684 685 }
#         	atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#         	atomsColValue      1.0
#		}
#		ref {
#    atomnumbers { 32485 32603 32721 32839 32957 33075 33193 33311 33429 33547 33665 33783 33901 34019 34137 34255 34373 34491 34609 34727 34845 34963 35081 35199 35317 35435 35559 35671 35789 35907 }
#		atomsFile          restraints/sc_rmsd.ref
#         	atomsCol           B
#          	atomsColValue      1.0
#		}
#	axis (0.0, 0.0, 1.0 )
#	}
#}

#Valine 380 10 Doxyl Methyl------------------------------------------------ Blade 2
colvar {
	name 380_10methyl
	UpperBoundary 20.36
	LowerBoundary 2.00
  outputVelocity          on
  outputTotalForce        on
  outputAppliedForce      on

	distanceXY {
		main {
		atomnumbers { 1055 1056 1057 1059 1060 1061 }
         	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32485 32603 32721 32839 32957 33075 33193 33311 33429 33547 33665 33783 33901 34019 34137 34255 34373 34491 34609 34727 34845 34963 35081 35199 35317 35435 35559 35671 35789 35907 }
		atomsFile          restraints/sc_rmsd.ref
         	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#Valine 389 10 Doxyl Methyl--------------------------------------------- Blade 2
#colvar {
#	name 389_10methyl
#	UpperBoundary 20.05
#	LowerBoundary 2.00
#  outputVelocity          on
#  outputTotalForce        on
#  outputAppliedForce      on
#
#	distanceXY {
#		main {
#		atomnumbers { 1215 1216 1217 1219 1220 1221 }
#        	atomsFile          restraints/sc_rmsd.ref
 #         	atomsCol           B
#          	atomsColValue      1.0
#		}
#		ref {
#    atomnumbers { 32485 32603 32721 32839 32957 33075 33193 33311 33429 33547 33665 33783 33901 34019 34137 34255 34373 34491 34609 34727 34845 34963 35081 35199 35317 35435 35559 35671 35789 35907 }
#		atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#	axis (0.0, 0.0, 1.0 )
#	}
#}

#Valine 493 10 Doxyl Methyl--------------------------------------------- Blade4
#colvar {
#	name 493_10methyl
#	UpperBoundary 20.40
#	LowerBoundary 2.00
#	distanceXY {
#		main {
#		atomnumbers { 9928 9929 9930 9932 9933 9934 }
#         	atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#		ref {
#   atomnumbers { 32485 32603 32721 32839 32957 33075 33193 33311 33429 33547 33665 33783 33901 34019 34137 34255 34373 34491 34609 34727 34845 34963 35081 35199 35317 35435 35559 35671 35789 35907 }
#		atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#	axis (0.0, 0.0, 1.0 )
#	}
#}

#Isoleucine 357 5 Doxyl Methyl---------------------------------------------  Blade 2
colvar {
	name 357_5methyl
	UpperBoundary 21.73
	LowerBoundary 2.00
  outputVelocity          on
  outputTotalForce        on
  outputAppliedForce      on

	distanceXY {
		main {
		atomnumbers { 683 684 685 }
        	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32470 32588 32706 32824 32942 33060 33178 33296 33414 33532 33650 33768 33886 34004 34122 34240 34358 34476 34594 34712 34830 34948 35066 35184 35302 35420 35544 35656 35774 35892 }
		atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#Valine 380 5 Doxyl Methyl--------------------------------------------- Blade 2
colvar {
	name 380_5methyl
	UpperBoundary 19.74
	LowerBoundary 2.00
  outputVelocity          on
  outputTotalForce        on
  outputAppliedForce      on

	distanceXY {
		main {
		atomnumbers {  1055 1056 1057 1059 1060 1061  }
         	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32470 32588 32706 32824 32942 33060 33178 33296 33414 33532 33650 33768 33886 34004 34122 34240 34358 34476 34594 34712 34830 34948 35066 35184 35302 35420 35544 35656 35774 35892 }
		atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
         	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#Valine 389 5 Doxyl Methyl--------------------------------------------- Blade 2
colvar {
	name 389_5methyl
	UpperBoundary 20.05
   LowerBoundary 2.00
   outputVelocity          on
   outputTotalForce        on
   outputAppliedForce      on

	distanceXY {
		main {
		atomnumbers { 1216 1217 1218 1220 1221 1222 }
         	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32470 32588 32706 32824 32942 33060 33178 33296 33414 33532 33650 33768 33886 34004 34122 34240 34358 34476 34594 34712 34830 34948 35066 35184 35302 35420 35544 35656 35774 35892 }
		atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#Leucine 395 5 Doxyl Methyl--------------------------------------------- Blade 2
colvar {
	name 395_5methyl
	UpperBoundary 21.71
	LowerBoundary 2.00
  outputVelocity          on
  outputTotalForce        on
  outputAppliedForce      on

	distanceXY {
		main {
		atomnumbers { 1302 1303 1304 1306 1307 1308  }
         	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32470 32588 32706 32824 32942 33060 33178 33296 33414 33532 33650 33768 33886 34004 34122 34240 34358 34476 34594 34712 34830 34948 35066 35184 35302 35420 35544 35656 35774 35892 }
		atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#Leucine 442 5 Doxyl Methyl---------------------------------------------  Blade 2
colvar {
	name 442_5methyl
	UpperBoundary 21.07
	LowerBoundary 2.00
  outputVelocity          on
  outputTotalForce        on
  outputAppliedForce      on
  
	distanceXY {
		main {
		atomnumbers { 2085 2086 2087 2089 2090 2091 }
         	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32470 32588 32706 32824 32942 33060 33178 33296 33414 33532 33650 33768 33886 34004 34122 34240 34358 34476 34594 34712 34830 34948 35066 35184 35302 35420 35544 35656 35774 35892 }
		atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#Valine 473 5 Doxyl Methyl--------------------------------------------- Blade 4
#colvar {
#	name 473_5methyl
#	UpperBoundary 22.06
#	LowerBoundary 2.00
#	distanceXY {
#		main {
#		atomnumbers { 9956 9957 9958 9960 9961 9962 }
#         	atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#		ref {
#   atomnumbers { 32470 32588 32706 32824 32942 33060 33178 33296 33414 33532 33650 33768 33886 34004 34122 34240 34358 34476 34594 34712 34830 34948 35066 35184 35302 35420 35544 35656 35774 35892 }
#		atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#	axis (0.0, 0.0, 1.0 )
#	}
#}

#Valine 493 5 Doxyl Methyl--------------------------------------------- Blade 4
#colvar {
#	name 493_5methyl
#	UpperBoundary 19.27
#	LowerBoundary 2.00
#	distanceXY {
#		main {
#		atomnumbers { 9928 9929 9930 9932 9933 9934 }
#         	atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#         	atomsColValue      1.0
#		}
#		ref {
# atomnumbers { 32470 32588 32706 32824 32942 33060 33178 33296 33414 33532 33650 33768 33886 34004 34122 34240 34358 34476 34594 34712 34830 34948 35066 35184 35302 35420 35544 35656 35774 35892 }
#		atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#	axis (0.0, 0.0, 1.0 )
#	}
#}
# ______________________________________________BROADENINGS____________________________________________________________________________
#BRD_330_NH---------------------------------------------  Blade 2
colvar {
	name BRD_330_NH
	UpperBoundary 22.00
	LowerBoundary 2.00
	distanceXY {
		main {
		atomnumbers { 202 }
        	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
		atomsFile          restraints/sc_rmsd.ref
         	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#BRD_342_NH--------------------------------------------- Blade 2
#colvar {
# name BRD_342_NH
#	UpperBoundary 22.00
#	LowerBoundary 2.00
#	distanceXY {
#		main {
#		atomnumbers {  426 }
#         	atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#		ref {
#    atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
#		atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#         	atomsColValue      1.0
#		}
#	axis (0.0, 0.0, 1.0 )
#	}
#}
#
#BRD_377_NH--------------------------------------------- Blade 2
colvar {
	name BRD_377_NH
	UpperBoundary 22.00
   LowerBoundary 2.00
	distanceXY {
		main {
		atomnumbers { 1000 }
         	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
		atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#BRD_379_NH--------------------------------------------- Blade 2
colvar {
	name BRD_379_NH
	UpperBoundary 22.00
	LowerBoundary 2.00
	distanceXY {
		main {
		atomnumbers { 1029 }
         	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
		atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#BRD_387_NH---------------------------------------------  Blade 2
colvar {
	name BRD_387_NH
	UpperBoundary 22.00
	LowerBoundary 2.00
	distanceXY {
		main {
		atomnumbers { 1168 }
         	atomsFile          restraints/sc_rmsd.ref
         	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
		atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#BRD_396_NH---------------------------------------------  Blade 2
colvar {
	name BRD_396_NH
	UpperBoundary 22.00
	LowerBoundary 2.00
	distanceXY {
		main {
		atomnumbers { 1312 }
         	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
		atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#BRD_428_NH--------------------------------------------- Blade 2
colvar {
	name BRD_428_NH
	UpperBoundary 22.00
	LowerBoundary 2.00
	distanceXY {
		main {
		atomnumbers { 1818 }
         	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
		atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#__________________________________________________________CSP_________________________________________________________________________
# 330NH---------------------------------------------  Blade 2
colvar {
	name CSP_330_NH
	UpperBoundary 22.00
	LowerBoundary 2.00
	distanceXY {
		main {
		atomnumbers { 202 }
        	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
		atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

# CSP_334_NH--------------------------------------------- Blade 2
#colvar {
#	name CSP_334_NH
#	UpperBoundary 22.00
#	LowerBoundary 2.00
#	distanceXY {
#		main {
#		atomnumbers {  265 }
#         	atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#		ref {
#    atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
#		atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#         	atomsColValue      1.0
#		}
#	axis (0.0, 0.0, 1.0 )
#	}
#}
#
#CSP_386_NH--------------------------------------------- Blade 2
colvar {
	name CSP_386_NH
	UpperBoundary 22.00
   LowerBoundary 2.00
	distanceXY {
		main {
		atomnumbers { 1146 }
         	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
		atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#CSP_387_NH--------------------------------------------- Blade 2
colvar {
	name CSP_387_NH
	UpperBoundary 22
	LowerBoundary 2.00
	distanceXY {
		main {
		atomnumbers { 1168 }
         	atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
		ref {
    atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
		atomsFile          restraints/sc_rmsd.ref
          	atomsCol           B
          	atomsColValue      1.0
		}
	axis (0.0, 0.0, 1.0 )
	}
}

#CSP_422_NH---------------------------------------------Blade 2
#colvar {
#	name CSP_422_NH
#	UpperBoundary 22
#	LowerBoundary 2.00
#	distanceXY {
#		main {
#		atomnumbers { 1730 }
#         	atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#		ref {
#    atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
#		atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#	axis (0.0, 0.0, 1.0 )
#	}
#}
#
#CSP_445_NH-----------------------------------------------------------Blade 2
#colvar {
#	name CSP_445_NH
#	UpperBoundary 22.00
#	LowerBoundary 2.00
#	distanceXY {
#		main {
#		atomnumbers { 2129 }
#         	atomsFile          restraints/sc_rmsd.ref
#         	atomsCol           B
#          	atomsColValue      1.0
#		}
#		ref {
#   atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
#		atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#	axis (0.0, 0.0, 1.0 )
#	}
#}

#CSP_459_NH---------------------------------------------Blade 4
#colvar {
#	name CSP_459_NH
#	UpperBoundary 22.00
#	LowerBoundary 2.00
#	distanceXY {
#		main {
#		atomnumbers { 2357 }
#        	atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#		ref {
#   atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
#		atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#	axis (0.0, 0.0, 1.0 )
#	}
#}

#CSP_489_NH--------------------------------------------- -Blade 4
#colvar {
#	name CSP_489_NH
#	UpperBoundary 18.07
#	LowerBoundary 2.00
#	distanceXY {
#		main {
#		atomnumbers { 2846 }
#	       	atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#		ref {
#   atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
#		atomsFile          restraints/sc_rmsd.ref
#         	atomsCol           B
#          	atomsColValue      1.0
#		}
#	axis (0.0, 0.0, 1.0 )
#	}
#}

#CSP_499_NH----------------------------------------------Blade 4
#colvar {
#	name CSP_499_NH
#	UpperBoundary 22.00
#	LowerBoundary 2.00
#	distanceXY {
#		main {
#		atomnumbers {  3013 }
#         	atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#          	atomsColValue      1.0
#		}
#		ref {
#   atomnumbers { 32265 32383 32501 32619 32737 32855 32973 33091 33209 33327 33445 33563 33681 33799 33917 34035 34153 34271 34389 34507 34625 34743 34861 34979 35097 35215 35339 35451 35569 35687 }
#		atomsFile          restraints/sc_rmsd.ref
#          	atomsCol           B
#         	atomsColValue      1.0
#		}
#	axis (0.0, 0.0, 1.0 )
#	}
#}

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