NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
3430 1dro cing 1-original 8 unknown distance NOE simple


For THR_4
THR_4:HG2*	THR_4:HA	    6.500 
THR_4:HA	GLY_5:HN	    5.300  
For GLY_5
GLY_5:HA*       ALA_6:HN            6.400  
For ALA_6
ALA_6:HA	GLY_7:HN	    4.700  
ALA_6:HB*	GLY_7:HN	    8.000  
For GLY_7
GLY_7:HA*	GLU-_8:HN	    5.400  
For GLU-_8
GLU-_8:HG*	GLU-_8:HA	    4.300
GLU-_8:HBR	GLY_9:HN	    5.400  
GLU-_8:HBS	GLY_9:HN	    4.500  
GLU-_8:HG*	GLY_9:HN	    8.500  
GLU-_8:HA       GLY_9:HN            3.300  
For GLY_9
GLY_9:HA1	LYS+_40:HA	    4.700 
GLY_9:HA2	ALA_41:HB*	    6.600 
GLY_9:HN	HIS_10:HN	    6.000  
GLY_9:HA1	HIS_10:HN	    3.300  
GLY_9:HA2	HIS_10:HN	    3.300  
GLY_9:HA2	SER_113:HBS	    5.600  
For HIS_10
HIS_10:HA	SER_113:HBR	    4.500
HIS_10:HA	SER_113:HBS	    5.200  
HIS_10:HB2	TRP_110:HZ3	    6.500
HIS_10:HN	GLU-_11:HN	    5.700  
HIS_10:HN	ALA_39:HN	    4.100  
HIS_10:HN	ALA_39:HB*	    6.500  
HIS_10:HN	LYS+_40:HA	    7.000  
HIS_10:HN	TRP_110:HZ3	    8.000  
HIS_10:HN	GLN_117:HE21	    5.200  
HIS_10:HN	GLN_117:HE22	    5.700  
HIS_10:HB1	GLU-_11:HN	    4.700  
HIS_10:HB2	GLU-_11:HN	    4.500  
HIS_10:HB2	ALA_39:HB*	    8.000  
For GLU-_11
GLU-_11:HA	GLU-_11:HB2	    3.700
GLU-_11:HG*	GLU-_11:HA	    4.400
GLU-_11:HA	TYR_36:CG	    9.000
GLU-_11:HA	ALA_38:HA	    2.600
GLU-_11:HA	ALA_38:HB*	    6.500 
GLU-_11:HA	TRP_110:HZ3	    4.800
GLU-_11:HA	TRP_110:HZ2	    4.500 
GLU-_11:HA	TRP_110:HH2	    3.200  
GLU-_11:HB1	TRP_110:HH2	    4.300  
GLU-_11:HA	GLY_12:HN	    3.000  
GLU-_11:HA	ALA_39:HN	    3.800  
GLU-_11:HB1	GLY_12:HN	    4.400  
GLU-_11:HB1     TRP_110:HZ2         5.500  
GLU-_11:HB2     GLY_12:HN           7.200  
GLU-_11:HG*     GLY_12:HN           6.700  
For GLY_12
GLY_12:HN	TYR_13:HN	    6.400  
GLY_12:HN	MET_37:HN	    4.100  
GLY_12:HN       ALA_38:HA           4.800  
GLY_12:HN	ALA_38:HB*	    8.000  
GLY_12:HN	TRP_110:HZ3	    7.400  
GLY_12:HN	TRP_110:HZ2	    3.800  
GLY_12:HN	TRP_110:HH2	    3.600  
GLY_12:HA1	TYR_13:HN	    3.900  
GLY_12:HA1	TYR_13:CG	    8.400  
GLY_12:HA2	TYR_13:HN	    3.500  
GLY_12:HA1      TRP_110:HZ2         4.400  
For TYR_13
TYR_13:CG	TYR_13:HA	    4.300  
TYR_13:HA	TYR_36:HA	    2.500  
TYR_13:CG	TYR_13:HN	    5.800  
TYR_13:HN	VAL_14:HN	    5.700  
TYR_13:HN	VAL_14:HGS*	    8.000  
TYR_13:HN	TRP_110:HZ2	    6.500  
TYR_13:HA	VAL_14:HN	    3.000  
TYR_13:HA	TYR_36:HB1	    8.000  
TYR_13:HA	MET_37:HN	    3.900  
TYR_13:HB1	VAL_14:HN	    5.000  
TYR_13:HB2	VAL_14:HN	    4.200  
TYR_13:CG	VAL_14:HN	    7.000  
TYR_13:CG	VAL_35:HN	    8.100  
TYR_13:CG	VAL_35:HGR*	   10.000 
TYR_13:CG	TYR_36:HA	    8.400  
TYR_13:CG	MET_37:HN	    8.500  
For VAL_14
VAL_14:HGR*	VAL_14:HA	    6.500  
VAL_14:HGS*	VAL_14:HA	    6.500  
VAL_14:HB	THR_15:HA	    4.600  
VAL_14:HGR*	THR_15:HA	    6.500  
VAL_14:HGS*	THR_15:HA	    6.500  
VAL_14:HGS*	MET_37:HG2	    6.500  
VAL_14:HGS*	ALA_101:HA	    6.500  
VAL_14:HGR*	VAL_14:HN	    8.000  
VAL_14:HGS*	VAL_14:HN	    8.000  
VAL_14:HN	VAL_35:HN	    4.900  
VAL_14:HN	TYR_36:HA	    5.000  
VAL_14:HN	MET_37:HN	    5.700  
VAL_14:HB	GLN_100:HN	    4.700  
VAL_14:HB	GLN_100:HG1	    5.200  
VAL_14:HGR*	THR_15:HN	    8.000  
VAL_14:HGR*	ARG+_16:HN	    8.000  
VAL_14:HGR*	ARG+_16:HA	    8.000  
VAL_14:HGR*	VAL_35:HN	    8.000  
VAL_14:HGR*	TYR_36:HA	    8.000  
VAL_14:HGR*	MET_37:HN	    8.000  
VAL_14:HGR*	GLN_100:HN	    8.000  
VAL_14:HGR*	TRP_110:HD1	    8.000  
VAL_14:HGR*	TRP_110:HZ3	    8.000  
VAL_14:HGS*	THR_15:HN	    8.000  
VAL_14:HGS*	ARG+_16:HN	    8.000  
VAL_14:HGS*	MET_37:HN	    8.000  
VAL_14:HGS*	GLN_100:HN	    8.000  
VAL_14:HGS*	TRP_110:HD1	    7.000  
VAL_14:HGS*	TRP_110:HE1	    8.000  
For THR_15
THR_15:HG2*	THR_15:HA	    6.500  
THR_15:HA	LYS+_34:HA	    2.400  
THR_15:HB	GLN_100:HB1	    4.300  
THR_15:HB	GLN_100:HB2	    3.200  
THR_15:HG2*	TRP_32:HA	    6.500  
THR_15:HG2*	TRP_32:HZ3	    6.500  
THR_15:HG2*	ASP-_33:HA	    6.500  
THR_15:HG2*	LYS+_34:HA	    8.500  
THR_15:HN	GLN_100:HN	    4.200  
THR_15:HN	GLN_100:HB2	    6.000  
THR_15:HN	ALA_101:HA	    5.400  
THR_15:HA	ARG+_16:HN	    3.000  
THR_15:HA	VAL_35:HN	    4.400  
THR_15:HA	VAL_35:HGS*	    8.000  
THR_15:HB	GLN_100:HN	    4.700  
THR_15:HG2*	ARG+_16:HN	    8.000  
THR_15:HG2*	ASP-_33:HN	    8.000  
THR_15:HG2*	GLN_100:HN	    8.000  
THR_15:HA       TRP_32:HE3          4.900  
THR_15:HB       TRP_32:HE3          5.700  
For ARG+_16
ARG+_16:HA	ARG+_16:HG1	    3.700  
ARG+_16:HA	ARG+_16:HG2	    3.900  
ARG+_16:HA	TRP_32:HZ3	    4.400  
ARG+_16:HA	LEU_99:HA	    2.700  
ARG+_16:HN	TRP_32:HA	    6.500  
ARG+_16:HN	TRP_32:HE3	    5.300  
ARG+_16:HN	ASP-_33:HN	    4.100  
ARG+_16:HN	ASP-_33:HB*	    7.700  
ARG+_16:HN      LYS+_34:HA          4.100  
ARG+_16:HN	VAL_35:HN	    7.000  
ARG+_16:HN	VAL_35:HGS*	    8.000  
ARG+_16:HA	LYS+_17:HN	    3.000  
ARG+_16:HA	GLN_100:HN	    5.200  
ARG+_16:HB1	LYS+_17:HN	    4.100  
ARG+_16:HG1	LYS+_17:HN	    5.100  
ARG+_16:HA      TRP_32:HE3          5.700  
For LYS+_17
LYS+_17:HG*	LYS+_17:HA	    4.100  
LYS+_17:HA	TRP_32:HA	    3.300  
LYS+_17:HN	LEU_99:HA	    5.000  
LYS+_17:HG*	TRP_32:HA	    7.300  
LYS+_17:HG*	LEU_98:HBR	    8.500  
LYS+_17:HB*     LEU_98:HN           6.500  
For HIS_18
HIS_18:HA	HIS_18:HB2	    3.600  
HIS_18:HA	PHE_97:HA	    2.800  
HIS_18:HA	PHE_97:CG	    5.400  
HIS_18:HA	PHE_97:CZ	    5.200  
HIS_18:HA	GLU-_19:HN	    4.100  
HIS_18:HB2	GLU-_19:HN	    5.700  
For GLU-_19
GLU-_19:HN	LEU_96:HD*	    9.400  
GLU-_19:HN	PHE_97:HA	    3.900  
GLU-_19:HB1	TRP_20:HN	    4.900  
GLU-_19:HB1	LEU_96:HN	    6.000  
GLU-_19:HB2	TRP_20:HN	    5.200  
GLU-_19:HB2	LEU_96:HN	    6.000  
For TRP_20
TRP_20:HB1	LEU_96:HN	    3.900  
TRP_20:HB2	LEU_96:HN	    5.100  
TRP_20:HB2	LEU_96:HG	    6.300  
TRP_20:HE3	LEU_96:HN	    4.400  
TRP_20:HZ2	TRP_32:HN	    4.200  
TRP_20:HZ2	TRP_32:HD1	    5.200  
TRP_20:HH2	TRP_32:HE1	    5.800  
For ASP-_21
ASP-_21:HN	SER_22:HN	    5.600  
ASP-_21:HB1	SER_22:HN	    6.000  
ASP-_21:HB2	SER_22:HN	    7.500  
For SER_22
SER_22:HA	THR_23:HN	    4.900  
For THR_23
THR_23:HB	THR_24:HG2*	    6.500  
THR_23:HN	THR_24:HN	    5.800  
THR_23:HA	THR_24:HN	    4.600  
THR_23:HB	THR_24:HN	    4.900  
THR_23:HG2*	THR_24:HN	    8.000  
For THR_24
THR_24:HG2*	THR_24:HA	    6.500  
THR_24:HA	LYS+_25:HN	    7.500  
THR_24:HG2*	LYS+_25:HN	    8.000  
For LYS+_25
LYS+_25:HA	LYS+_25:HB1	    4.400  
LYS+_25:HG*	SER_28:HN	    8.300  
For SER_31
SER_31:HA	TRP_32:HN	    3.300  
SER_31:HBS      TRP_32:HN           3.500  
For TRP_32
TRP_32:HZ3	LYS+_83:HD1	    5.100  
TRP_32:HZ3	VAL_86:HGR*	    6.500  
TRP_32:HZ3	VAL_86:HGS*	    6.500  
TRP_32:HZ3	LEU_98:HBR	    3.600  
TRP_32:HZ3	LEU_99:HA	    4.200  
TRP_32:HZ2	LYS+_83:HD1	    3.600  
TRP_32:HH2	LYS+_83:HD1	    3.400  
TRP_32:HH2	VAL_86:HGR*	    6.500  
TRP_32:HH2	VAL_86:HGS*	    6.500  
TRP_32:HH2	LEU_98:HBR	    4.300  
TRP_32:HH2	LEU_98:HBS	    3.500  
TRP_32:HA	ASP-_33:HN	    2.900  
TRP_32:HA	ASP-_33:HB*	    6.800  
TRP_32:HBS	ASP-_33:HN	    5.300  
TRP_32:HE3	ASP-_33:HN	    5.600  
TRP_32:HE3	VAL_86:HGR*	    7.000  
TRP_32:HE3	GLN_100:HN	    6.000  
TRP_32:HE1	LYS+_83:HE1	    5.100  
TRP_32:HE1	LEU_96:HD*	    9.400  
TRP_32:HZ2	VAL_86:HGR*	    8.000  
TRP_32:HZ2	VAL_86:HGS*	    8.000  
TRP_32:HZ2	LEU_98:HD2*	    8.000  
TRP_32:HZ3	GLN_100:HN	    3.600  
TRP_32:HZ3	GLN_100:HB2	    4.400  
TRP_32:HH2	LYS+_83:HBR	    4.500  
TRP_32:HH2	LYS+_83:HBS	    4.700  
TRP_32:HH2	LYS+_83:HG1	    6.900  
TRP_32:HH2	LEU_98:HD2*	    8.000  
TRP_32:HH2	LEU_99:HN	    7.500  
TRP_32:HH2	GLN_100:HN	    6.800  
TRP_32:HZ2      LYS+_83:HG1         7.500  
For ASP-_33
ASP-_33:HB*	VAL_35:HGS*	    7.500  
ASP-_33:HB*	PHE_61:CZ	    8.400  
ASP-_33:HB*	PHE_61:HZ	    5.100  
ASP-_33:HA	LYS+_34:HN	    3.600  
ASP-_33:HA	VAL_35:HGS*	    8.000  
ASP-_33:HB*	LYS+_34:HN	    5.300  
ASP-_33:HB*	VAL_35:HGR*	    9.000  
For LYS+_34
LYS+_34:HA	LYS+_34:HG1	    4.800  
LYS+_34:HA	LYS+_34:HG2	    3.800  
LYS+_34:HA	VAL_35:HGR*	    6.500  
LYS+_34:HA	VAL_35:HN	    4.000  
LYS+_34:HG1	VAL_35:HN	    6.000  
For VAL_35
VAL_35:HGR*	VAL_35:HA	    6.500  
VAL_35:HGS*	VAL_35:HA	    6.500  
VAL_35:HA	LYS+_48:HA	    4.400  
VAL_35:HB	PHE_46:CG	    7.100  
VAL_35:HGR*	TYR_36:HA	    6.500  
VAL_35:HGR*	MET_37:HG2	    6.500  
VAL_35:HGR*	PHE_46:HBS	    6.500  
VAL_35:HGR*	PHE_46:CG	    8.500  
VAL_35:HGR*	PHE_46:CZ	    8.500  
VAL_35:HGR*	LYS+_48:HG2	    6.500  
VAL_35:HGS*	PHE_46:CG	    8.500  
VAL_35:HGS*	LYS+_48:HA	    6.500  
VAL_35:HGS*	PHE_61:CG	    8.500  
VAL_35:HGS*	PHE_61:CZ	    8.500  
VAL_35:HGS*	PHE_61:HZ	    6.500  
VAL_35:HB	PHE_46:HA	    6.700  
VAL_35:HA       TYR_36:HN           4.000  
VAL_35:HGR*	TYR_36:HN	    8.000  
VAL_35:HGR*	PHE_46:HA	    8.000  
VAL_35:HGR*	PHE_46:HBR	    8.000  
VAL_35:HGR*	TYR_47:HN	    8.000  
VAL_35:HGS*	TYR_36:HN	    8.000  
VAL_35:HGS*	PHE_46:HA	    8.000  
VAL_35:HGS*	PHE_46:CZ	   10.000 
VAL_35:HGS*	TYR_47:HN	    8.000  
For TYR_36
TYR_36:HB1	ASP-_49:HA	    4.500  
TYR_36:HB2	ASP-_49:HA	    4.900  
TYR_36:CG	ALA_38:HB*	    8.500  
TYR_36:CG	TYR_53:CG	    9.200  
TYR_36:CG	TYR_53:CZ	    9.800  
TYR_36:HN	TYR_47:HN	    4.800  
TYR_36:HA	MET_37:HN	    3.200  
TYR_36:HB1	TYR_47:HN	    4.600  
TYR_36:HB1	TYR_47:HBR	    5.900  
TYR_36:HB1	TYR_47:HBS	    5.400  
TYR_36:HB1	GLN_50:HN	    6.100  
TYR_36:HB2	TYR_47:HBR	    5.000  
TYR_36:CZ	GLN_50:HE22	    8.500  
For MET_37
MET_37:HA	MET_37:HG2	    3.900  
MET_37:HA	PHE_46:HA	    2.800  
MET_37:HA	PHE_46:CG	    6.100  
MET_37:HG1	PHE_46:CG	    6.400  
MET_37:HG1	PHE_46:CZ	    6.300  
MET_37:HG2	TRP_110:HH2	    5.500  
MET_37:HN	TRP_110:HZ2	    6.300  
MET_37:HB*	ALA_38:HN	    8.500  
MET_37:HG2	ALA_38:HN	    4.600  
MET_37:HG2	TRP_110:HZ2	    7.100  
For ALA_38
ALA_38:HA	TRP_110:HH2	    3.700  
ALA_38:HB*	TYR_53:CG	    8.600  
ALA_38:HB*	TYR_53:CZ	    8.500  
ALA_38:HN	ALA_39:HN	    7.500  
ALA_38:HN	ILE_44:HA	    6.600  
ALA_38:HN	ILE_44:HG2*	    8.000  
ALA_38:HN	PHE_46:HA	    5.100  
ALA_38:HN	PHE_46:CG	    9.500  
ALA_38:HA	ALA_39:HN	    3.500  
ALA_38:HB*	ALA_39:HN	    8.000  
ALA_38:HB*	ALA_39:HA	    8.000  
ALA_38:HB*	SER_45:HN	    8.000  
For ALA_39
ALA_39:HA	ILE_44:HA	    2.400  
ALA_39:HA	ILE_44:HG2*	    6.500  
ALA_39:HA	ILE_44:HG12	    5.400  
ALA_39:HB*	ILE_44:HA	    6.500  
ALA_39:HB*	TRP_110:HZ3	    6.500  
ALA_39:HB*	TRP_110:HH2	    6.500  
ALA_39:HN	LYS+_40:HN	    5.200  
ALA_39:HN	TRP_110:HZ3	    4.500  
ALA_39:HN	TRP_110:HH2	    5.100  
ALA_39:HA	LYS+_40:HN	    2.700  
ALA_39:HA	ARG+_43:HN	    4.500  
ALA_39:HA	ARG+_43:HBR	    5.200  
ALA_39:HA	ILE_44:HN	    6.200  
ALA_39:HA	SER_45:HN	    3.700  
ALA_39:HB*	LYS+_40:HN	    8.000  
For LYS+_40
LYS+_40:HA	PHE_97:HBR	    5.500  
LYS+_40:HA	PHE_97:HBS	    5.500  
LYS+_40:HN	ALA_41:HN	    5.300  
LYS+_40:HN	GLY_42:HN	    5.700  
LYS+_40:HN	ARG+_43:HN	    3.500  
LYS+_40:HN	ILE_44:HA	    4.500  
LYS+_40:HN	ILE_44:HG2*	    8.000  
LYS+_40:HA	ALA_41:HN	    3.500  
LYS+_40:HA	GLY_42:HN	    6.800  
LYS+_40:HA	ARG+_43:HN	    6.800  
LYS+_40:HB1	ALA_41:HN	    4.100  
LYS+_40:HB2	ALA_41:HN	    4.600  
For ALA_41
ALA_41:HB*	GLY_42:HA2	    6.500  
ALA_41:HN	GLY_42:HN	    3.700  
ALA_41:HN	ARG+_43:HN	    5.600  
ALA_41:HN	ALA_72:HB*	    8.000  
ALA_41:HN	GLN_117:HE21	    6.200  
ALA_41:HA	GLY_42:HN	    3.300  
ALA_41:HA	ARG+_43:HN	    5.500  
ALA_41:HB*	GLY_42:HN	    8.000  
ALA_41:HB*	ARG+_43:HN	    8.000  
For GLY_42
GLY_42:HA2	GLN_70:HG1	    3.300  
GLY_42:HN	ARG+_43:HN	    3.200  
GLY_42:HN	GLN_117:HBR	    6.400  
GLY_42:HN	GLN_117:HBS	    4.400  
GLY_42:HA1	ARG+_43:HN	    4.000  
GLY_42:HA1	GLN_117:HBR	    4.900  
GLY_42:HA1	GLN_117:HBS	    4.600  
GLY_42:HA2	ARG+_43:HN	    5.300  
For ARG+_43
ARG+_43:HA	ASP-_68:HA	    2.900  
ARG+_43:HA	LEU_69:HB*	    4.800  
ARG+_43:HBS	ASP-_68:HA	    3.800  
ARG+_43:HG*	ASP-_68:HA	    4.500  
ARG+_43:HD1	ASP-_68:HA	    4.700  
ARG+_43:HN	ILE_44:HN	    4.900  
ARG+_43:HN	LEU_69:HN	    6.100  
ARG+_43:HA	ILE_44:HN	    2.900  
ARG+_43:HA	ILE_44:HA	    5.800  
ARG+_43:HA	TYR_67:HN	    6.200  
ARG+_43:HA	LEU_69:HN	    4.000  
ARG+_43:HBR	ILE_44:HN	    4.200  
ARG+_43:HBR	SER_66:HB1	    6.700  
ARG+_43:HBR	TYR_67:HN	    6.500  
ARG+_43:HBS	ILE_44:HN	    3.900  
ARG+_43:HBS	SER_66:HB1	    4.600  
ARG+_43:HBS	TYR_67:HN	    6.500  
ARG+_43:HD1	SER_66:HB1	    6.600  
For ILE_44
ILE_44:HG2*	ILE_44:HA	    6.500  
ILE_44:HD1*	ILE_44:HA	    6.500  
ILE_44:HB	TYR_67:HBR	    5.300  
ILE_44:HB	TYR_67:CG	    7.500  
ILE_44:HG2*	PHE_46:CZ	    8.500  
ILE_44:HG2*	PHE_46:HZ	    6.500  
ILE_44:HG2*	TYR_67:CG	    8.500  
ILE_44:HG11	PHE_46:CZ	    5.600  
ILE_44:HG11	PHE_46:HZ	    3.400  
ILE_44:HG11	TYR_67:CG	    6.000  
ILE_44:HG12	PHE_46:CZ	    5.500  
ILE_44:HG12	PHE_46:HZ	    3.200  
ILE_44:HG12	TYR_67:HBR	    4.700  
ILE_44:HG12	TYR_67:CG	    7.500  
ILE_44:HD1*	TYR_67:HBR	    6.500  
ILE_44:HD1*	TYR_67:CG	    8.500  
ILE_44:HN	SER_45:HN	    7.500  
ILE_44:HN	TYR_67:HN	    3.500  
ILE_44:HA	SER_45:HN	    2.900  
ILE_44:HB	SER_45:HN	    4.300  
ILE_44:HB	PHE_46:HZ	    6.600  
ILE_44:HB	TYR_67:HN	    5.400  
ILE_44:HG2*	SER_45:HN	    8.000  
ILE_44:HG2*	TYR_67:HN	    8.000  
ILE_44:HG2*	TYR_67:HBR	    8.000  
ILE_44:HG2*	TYR_67:CZ	   10.000 
ILE_44:HG2*	PHE_97:CZ	   10.000 
ILE_44:HG2*	PHE_97:HZ	    8.000  
ILE_44:HG11	SER_45:HN	    7.100  
ILE_44:HG11	TYR_67:HN	    7.500  
ILE_44:HG11	TYR_67:CZ	    8.900  
ILE_44:HG11	PHE_97:CZ	    6.800  
ILE_44:HG11	PHE_97:HZ	    4.700  
For SER_45
SER_45:HA	TYR_67:CG	    7.300  
SER_45:HB*	PHE_46:HN	    6.000  
SER_45:HB*	THR_60:HG2*	    9.000  
For PHE_46
PHE_46:CG	PHE_46:HA	    4.300  
PHE_46:HBS	GLU-_64:HA	    3.300  
PHE_46:CZ	TYR_67:CZ	    7.800  
PHE_46:HN	THR_60:HG2*	    8.000  
PHE_46:HA	TYR_47:HN	    3.200  
PHE_46:HA	TYR_47:HBS	    5.400  
PHE_46:HBR	TYR_47:HN	    4.700  
PHE_46:HBR	PHE_61:HN	    7.200  
PHE_46:HBR	PHE_61:CG	    8.100  
PHE_46:HBS	TYR_47:HN	    4.000  
PHE_46:HBS	PHE_61:HN	    5.900  
PHE_46:HBS	PHE_61:CG	    6.900  
PHE_46:CG	TYR_47:HN	    7.200  
PHE_46:CZ	PHE_97:HZ	    7.600  
PHE_46:HZ	TYR_67:CZ	    8.400  
PHE_46:HZ	PHE_97:CZ	    7.100  
PHE_46:HZ	PHE_97:HZ	    5.800  
For TYR_47
TYR_47:HA	PHE_61:HB1	    3.800  
TYR_47:HA	PHE_61:HB2	    5.200  
TYR_47:CG	TYR_47:HN	    8.600  
TYR_47:HA       LYS+_48:HN          4.000  
TYR_47:HBR	LYS+_48:HN	    3.900  
TYR_47:HBR	ASP-_49:HN	    4.200  
TYR_47:HBR	TYR_53:HB1	    5.100  
TYR_47:HBS	LYS+_48:HN	    4.900  
For LYS+_48
LYS+_48:HA	LYS+_48:HG2	    3.600  
LYS+_48:HA	PHE_61:CG	    5.300  
LYS+_48:HA	PHE_61:CZ	    7.300  
LYS+_48:HB1	PHE_61:CG	    7.500  
LYS+_48:HB2	PHE_61:CG	    6.200  
LYS+_48:HG1	PHE_61:CG	    7.500  
LYS+_48:HN	ASP-_49:HN	    3.600  
LYS+_48:HN	THR_60:HA	    6.000  
LYS+_48:HN	PHE_61:HA	    7.500  
LYS+_48:HN	PHE_61:HB1	    5.500  
LYS+_48:HN	PHE_61:CG	    7.400  
LYS+_48:HN	PHE_61:CZ	    9.500  
LYS+_48:HA	LYS+_48:HD1	    7.500  
LYS+_48:HA	LYS+_48:HD2	    5.100  
LYS+_48:HA	ASP-_49:HN	    3.400  
LYS+_48:HB1	ASP-_49:HN	    3.800  
LYS+_48:HB2	PHE_61:CZ	    8.300  
LYS+_48:HG1	PHE_61:CZ	    8.300  
LYS+_48:HG2	PHE_61:CG	    8.200  
LYS+_48:HD1	PHE_61:CZ	    8.100  
LYS+_48:HD2	PHE_61:CZ	    9.100  
LYS+_48:HE*	PHE_61:CZ	   10.500 
LYS+_48:HN      PHE_61:HN           7.500  
For ASP-_49
ASP-_49:HN	GLY_52:HN	    5.600  
ASP-_49:HN	TYR_53:HN	    6.600  
ASP-_49:HN	PHE_61:HN	    6.100  
ASP-_49:HA	GLN_50:HN	    5.000  
ASP-_49:HB2	GLN_50:HN	    3.200  
ASP-_49:HB2	GLN_50:HB1	    5.100  
For GLN_50
GLN_50:HN	LYS+_51:HN	    4.100  
GLN_50:HA	LYS+_51:HN	    5.300  
GLN_50:HA	LYS+_51:HG1	    4.300  
GLN_50:HA	TYR_53:HN	    4.100  
GLN_50:HA	TYR_53:CG	    6.500  
GLN_50:HA	LYS+_54:HN	    4.300  
GLN_50:HG*	LYS+_51:HN	    6.700  
GLN_50:HG*	TYR_53:CG	    9.000  
For LYS+_51
LYS+_51:HA	LYS+_54:HB1	    4.800  
LYS+_51:HA	LYS+_54:HB2	    3.200  
LYS+_51:HA	LYS+_54:HG2	    4.500  
LYS+_51:HA	LYS+_54:HD*	    6.300  
LYS+_51:HG1	TYR_53:CG	    7.400  
LYS+_51:HD*	GLU-_64:HA	    6.500  
LYS+_51:HN	LYS+_51:HG1	    5.700  
LYS+_51:HN	LYS+_51:HG2	    5.800  
LYS+_51:HN	GLY_52:HN	    3.400  
LYS+_51:HN	TYR_53:HN	    5.400  
LYS+_51:HA	GLY_52:HN	    3.900  
LYS+_51:HA	TYR_53:HN	    6.000  
LYS+_51:HA	LYS+_54:HN	    3.900  
LYS+_51:HB1	GLY_52:HN	    3.600  
LYS+_51:HB1	TYR_53:HN	    6.000  
LYS+_51:HG1	TYR_53:CZ	    7.800  
For GLY_52
GLY_52:HN	TYR_53:HN	    3.500  
GLY_52:HN	LYS+_54:HN	    5.800  
GLY_52:HN	SER_55:HN	    6.900  
GLY_52:HA*	LYS+_54:HN	    8.500  
For TYR_53
TYR_53:CG	TYR_53:HA	    4.000  
TYR_53:CZ	TYR_53:HA	    5.600  
TYR_53:HA	PRO_57:HA	    3.500  
TYR_53:CG	PRO_57:HA	    6.000  
TYR_53:CZ	PRO_57:HA	    7.500  
TYR_53:CZ	PRO_57:HB1	    6.700  
TYR_53:CZ	PRO_57:HB2	    7.100  
TYR_53:CG	TYR_53:HN	    6.300  
TYR_53:HN	LYS+_54:HN	    3.200  
TYR_53:HN	SER_55:HN	    5.400  
TYR_53:HN	PHE_61:HA	    5.500  
TYR_53:HA	LYS+_54:HN	    4.600  
TYR_53:HA	ASN_56:HN	    5.800  
TYR_53:HB1	LYS+_54:HN	    3.900  
TYR_53:HB2	LYS+_54:HN	    3.900  
TYR_53:CG	LYS+_54:HN	    6.900  
TYR_53:CG	LYS+_54:HA	    6.700  
TYR_53:CG	PRO_57:HB1	    7.600  
TYR_53:CG	PRO_57:HB2	    6.900  
TYR_53:CZ	PRO_57:HG*	    9.800  
For LYS+_54
LYS+_54:HA	LYS+_54:HG1	    4.000  
LYS+_54:HA	LYS+_54:HG2	    3.100  
LYS+_54:HD*	LYS+_54:HA	    5.300  
LYS+_54:HN	SER_55:HN	    3.300  
LYS+_54:HN	SER_55:HA	    6.200  
LYS+_54:HA	SER_55:HN	    3.800  
LYS+_54:HA	ASN_56:HN	    7.000  
LYS+_54:HB1	SER_55:HN	    3.800  
LYS+_54:HB2	SER_55:HN	    3.900  
LYS+_54:HB2	ASN_56:HN	    5.300  
LYS+_54:HG1	SER_55:HN	    6.700  
For SER_55
SER_55:HA	ASN_56:HA	    5.900  
SER_55:HA	ASN_56:HN	    4.000  
For ASN_56
ASN_56:HA	PRO_57:HG*	    6.300  
ASN_56:HA	PRO_57:HD1	    2.900  
ASN_56:HA	PRO_57:HD2	    2.500  
ASN_56:HBR	LEU_59:HBR	    4.800  
ASN_56:HBR	LEU_59:HG	    5.400  
ASN_56:HBR	LEU_59:HD2*	    6.500  
ASN_56:HBS	LEU_59:HBR	    4.300  
ASN_56:HBS	LEU_59:HD2*	    6.500  
ASN_56:HN	PRO_57:HD1	    5.300  
ASN_56:HN	PRO_57:HD2	    5.500  
ASN_56:HA	ASN_56:HD21	    4.600  
ASN_56:HA	ASN_56:HD22	    3.700  
ASN_56:HA	GLU-_58:HN	    4.000  
ASN_56:HA	LEU_59:HN	    5.700  
ASN_56:HA	LEU_59:HD2*	    8.000  
ASN_56:HD22	ASN_56:HBR	    3.600  
ASN_56:HBR	PRO_57:HD1	    5.600  
ASN_56:HBR	PRO_57:HD2	    5.300  
ASN_56:HBR	GLU-_58:HN	    5.300  
ASN_56:HBR	LEU_59:HN	    4.200  
ASN_56:HD22	ASN_56:HBS	    3.300  
ASN_56:HBS	PRO_57:HD2	    5.800  
ASN_56:HBS	GLU-_58:HN	    7.500  
ASN_56:HBS	LEU_59:HN	    4.400  
ASN_56:HD21	LEU_59:HBR	    6.400  
ASN_56:HD21	LEU_59:HD2*	    8.000  
ASN_56:HD22	PRO_57:HD2	    5.900  
ASN_56:HD22	LEU_59:HG	    6.300  
ASN_56:HD22	LEU_59:HD2*	    8.000  
For PRO_57
PRO_57:HG*	PRO_57:HA	    5.800  
PRO_57:HA	THR_60:HN	    7.500  
PRO_57:HG*	GLU-_58:HN	    5.700  
PRO_57:HD1	GLU-_58:HN	    5.100  
PRO_57:HD1	GLU-_58:HA	    7.500  
PRO_57:HD2	GLU-_58:HN	    3.800  
For GLU-_58
GLU-_58:HN	GLU-_58:HG2	    3.900  
GLU-_58:HN	LEU_59:HN	    3.100  
GLU-_58:HN	LEU_59:HG	    6.400  
GLU-_58:HG2	LEU_59:HG	    4.300  
For LEU_59
LEU_59:HA	LEU_59:HG	    4.600  
LEU_59:HA	THR_60:HG2*	    6.500  
LEU_59:HD1*	LEU_59:HBR	    6.500  
LEU_59:HD2*	LEU_59:HBR	    6.500  
LEU_59:HD1*	GLU-_64:HBR	    6.500  
LEU_59:HA	THR_60:HN	    3.100  
LEU_59:HD1*	THR_60:HN	    8.000  
LEU_59:HD2*	THR_60:HN	    8.000  
THR_60
THR_60:HN	THR_60:HG1	    4.400  
THR_60:HA	THR_60:HG1	    4.400  
THR_60:HA	PHE_61:HN	    3.800  
THR_60:HA	GLY_63:HN	    7.500  
THR_60:HB	GLU-_64:HN	    7.100  
THR_60:HG2*	PHE_61:HN	    8.000  
THR_60:HG2*	GLY_63:HN	    8.000  
THR_60:HG2*	GLU-_64:HN	    8.000  
THR_60:HG1	PHE_61:HN	    5.000  
THR_60:HG1	GLY_63:HN	    5.600  
THR_60:HG1	GLY_63:HA1	    5.300  
THR_60:HG1	GLU-_64:HN	    4.000  
For PHE_61
PHE_61:CG	PHE_61:HA	    4.100  
PHE_61:CZ	PHE_61:HA	    6.100  
PHE_61:CZ	PHE_61:HB1	    7.500  
PHE_61:CZ	PHE_61:HB2	    7.500  
PHE_61:CG	PHE_61:HN	    6.900  
PHE_61:HN	ARG+_62:HN	    5.500  
PHE_61:HA	ARG+_62:HN	    3.100  
PHE_61:HA	GLY_63:HN	    6.100  
PHE_61:CG	ARG+_62:HN	    7.400  
PHE_61:CG	ARG+_62:HG1	    7.200  
PHE_61:CG	ARG+_62:HG2	    8.700  
PHE_61:CZ	ARG+_62:HD1	    8.300  
For ARG+_62
ARG+_62:HA	ARG+_62:HG1	    3.500  
ARG+_62:HA	ARG+_62:HG2	    2.900  
ARG+_62:HA	GLU-_64:HBR	    4.600  
ARG+_62:HA	GLU-_64:HBS	    3.500  
ARG+_62:HN	ARG+_62:HG1	    4.400  
ARG+_62:HA	GLY_63:HN	    3.700  
ARG+_62:HA	GLU-_64:HN	    4.600  
ARG+_62:HA	GLU-_64:HBR	    4.600  
ARG+_62:HA	GLU-_64:HG*	    8.200  
For GLY_63
GLY_63:HN	GLU-_64:HN	    3.700  
GLY_63:HA1	GLU-_64:HN	    4.000  
GLY_63:HA2	GLU-_64:HN	    5.200  
For GLU-_64
GLU-_64:HA	PRO_65:HD1	    3.400  
GLU-_64:HBR	PRO_65:HD2	    4.800  
GLU-_64:HBS	PRO_65:HD1	    4.500  
GLU-_64:HBS	PRO_65:HD2	    4.600  
For PRO_65
PRO_65:HB1	SER_66:HN	    3.400  
PRO_65:HB2	SER_66:HN	    3.900  
PRO_65:HG*	SER_66:HN	    8.500  
For SER_66
SER_66:HN	TYR_67:HN	    7.500  
SER_66:HB1	TYR_67:HN	    4.200  
For TYR_67
TYR_67:CG	TYR_67:HA	    4.400  
TYR_67:CZ	TYR_67:HA	    5.500  
TYR_67:HA	LEU_69:HB*	    6.500  
TYR_67:HBR	LEU_91:HD2*	    6.500  
TYR_67:CZ	TYR_67:HBS	    7.500  
TYR_67:HBS	LEU_91:HD1*	    6.500  
TYR_67:HBS	LEU_91:HD2*	    6.500  
TYR_67:CG	LEU_91:HD2*	    8.500  
TYR_67:CG	PHE_97:CZ	    9.500  
TYR_67:CZ	PHE_97:CZ	    9.300  
TYR_67:CZ	PHE_97:HZ	    6.400  
TYR_67:CG	TYR_67:HN	    6.100  
TYR_67:CG	ASP-_68:HN	    7.000  
TYR_67:CZ	ALA_72:HB*	   10.000 
TYR_67:CZ	LEU_91:HD2*	   10.000 
TYR_67:CG       LEU_91:HD1*        10.000 
For ASP-_68
ASP-_68:HA	LEU_69:HN	    3.100  
ASP-_68:HBS	LEU_69:HN	    5.200  
For LEU_69
LEU_69:HB*	ASN_71:HBR	    5.700  
LEU_69:HB*	ASN_71:HBS	    5.100  
LEU_69:HB*	SER_118:HA	    5.000  
LEU_69:HB*      GLN_70:HN           6.100  
LEU_69:HA	ALA_72:HN	    3.900  
LEU_69:HD2*	ALA_72:HN	    8.000  
For GLN_70
GLN_70:HA	SER_118:HA	    3.200  
GLN_70:HN	ASN_71:HN	    4.600  
GLN_70:HA	ASN_71:HN	    3.000  
GLN_70:HA	ASN_71:HBR	    7.100  
GLN_70:HA	ASN_71:HBS	    6.100  
GLN_70:HB1	ASN_71:HN	    4.500  
GLN_70:HB2	ASN_71:HN	    4.600  
GLN_70:HG1	ASN_71:HN	    4.200  
GLN_70:HG1	ASN_71:HD21	    5.500  
GLN_70:HG2	ASN_71:HN	    4.200  
For ASN_71
ASN_71:HN	ALA_72:HN	    3.400  
ASN_71:HN	ALA_72:HA	    6.900  
ASN_71:HA	ALA_72:HN	    3.600  
ASN_71:HBR	ALA_72:HN	    7.500  
ASN_71:HBS	ALA_72:HN	    5.700  
For ALA_72
ALA_72:HA	ALA_73:HB*	    6.500  
ALA_72:HA	LEU_91:HD1*	    6.500  
ALA_72:HB*	LEU_91:HA	    6.500  
ALA_72:HN	ALA_73:HN	    4.600  
ALA_72:HA	ALA_73:HN	    3.100  
ALA_72:HA	LYS+_90:HN	    7.500  
ALA_72:HA	ALA_92:HN	    4.700  
ALA_72:HB*	ALA_92:HN	    8.000  
For ALA_73
ALA_73:HB*	LYS+_90:HA	    6.500  
ALA_73:HB*	LEU_91:HA	    6.500  
ALA_73:HN	ILE_74:HN	    6.900  
ALA_73:HN	LYS+_90:HN	    5.400  
ALA_73:HN	LYS+_90:HB1	    4.500  
ALA_73:HB*	ILE_74:HN	    8.000  
For ILE_74
ILE_74:HA	ILE_74:HG11	    2.700  
ILE_74:HA	ILE_74:HG12	    3.100  
ILE_74:HA	VAL_89:HA	    2.800  
ILE_74:HG11	VAL_89:HA	    5.100  
ILE_74:HG12	VAL_89:HA	    4.500  
ILE_74:HG12	LYS+_115:HA	    5.000  
ILE_74:HN	GLU-_75:HN	    5.400  
ILE_74:HA	GLU-_75:HN	    3.200  
ILE_74:HA	GLU-_75:HG1	    6.700  
ILE_74:HA	LEU_114:HBR	    7.500  
ILE_74:HB	GLU-_75:HN	    7.300  
ILE_74:HB	LYS+_115:HA	    5.900  
ILE_74:HG2*	GLU-_75:HN	    8.000  
ILE_74:HG2*	LEU_114:HN	    8.000  
ILE_74:HD1*	GLN_117:HN	    8.000  
ILE_74:HD1*	SER_118:HN	    8.000  
For GLU-_75
GLU-_75:HA	GLU-_75:HG1	    4.400  
GLU-_75:HA	GLU-_75:HG2	    4.300  
GLU-_75:HA	VAL_111:HGS*	    6.500  
GLU-_75:HN	ARG+_88:HN	    3.400  
GLU-_75:HN	VAL_89:HA	    5.500  
GLU-_75:HA	ILE_76:HN	    3.300  
GLU-_75:HB1	ILE_76:HN	    4.100  
GLU-_75:HB2	ILE_76:HN	    5.900  
GLU-_75:HG1	ILE_76:HN	    5.900  
GLU-_75:HG1	SER_78:HN	    7.500  
GLU-_75:HG2	SER_78:HN	    7.500  
GLU-_75:HG2     ILE_76:HN           7.500  
For ILE_76
ILE_76:HG2*	ILE_76:HA	    6.500  
ILE_76:HG11	ILE_76:HA	    3.800  
ILE_76:HG12	ILE_76:HA	    3.600  
ILE_76:HD1*	ILE_76:HA	    6.500  
ILE_76:HA	LEU_87:HA	    2.600  
ILE_76:HG2*	LYS+_84:HA	    6.500  
ILE_76:HG2*	LEU_87:HA	    6.500  
ILE_76:HG12	LEU_87:HA	    4.100  
ILE_76:HA	ALA_77:HN	    2.800  
ILE_76:HA	ARG+_88:HN	    4.000  
ILE_76:HB	ALA_77:HN	    5.700  
ILE_76:HB	SER_78:HN	    6.400  
ILE_76:HG2*	ALA_77:HN	    8.000  
ILE_76:HG2*	SER_78:HN	    8.000  
ILE_76:HG2*	ARG+_88:HN	    8.000  
ILE_76:HG12	ALA_77:HN	    6.500  
For ALA_77
ALA_77:HB*	TYR_80:HB1	    6.500  
ALA_77:HB*	VAL_86:HB	    6.500  
ALA_77:HB*	VAL_86:HGR*	    7.500  
ALA_77:HN	LEU_87:HA	    3.600  
ALA_77:HN	LEU_87:HB*	    8.300  
ALA_77:HB*      SER_78:HN           6.500  
ALA_77:HB*	TYR_80:HN	    8.000  
ALA_77:HB*	TYR_80:HA	    8.000  
ALA_77:HB*	TYR_80:HB2	    8.000  
ALA_77:HB*	TYR_80:CG	   10.000 
ALA_77:HB*	ARG+_88:HN	    8.000  
For SER_78
SER_78:HN	ASP-_79:HN	    3.800  
SER_78:HA	ASP-_79:HN	    3.900  
SER_78:HA	TYR_80:HN	    4.900  
SER_78:HBR	ASP-_79:HN	    6.000  
SER_78:HBR	ASP-_79:HB1	    4.300  
SER_78:HBS	ASP-_79:HN	    5.400  
For ASP-_79
ASP-_79:HN	TYR_80:HN	    3.400  
ASP-_79:HN	TYR_80:HB2	    6.700  
ASP-_79:HB1	TYR_80:HN	    5.000  
ASP-_79:HB2	TYR_80:HN	    6.800  
For TYR_80
TYR_80:CG	LYS+_83:HD1	    7.500  
TYR_80:CG	VAL_86:HGR*	    8.500  
TYR_80:CG	VAL_86:HGS*	    8.500  
TYR_80:CG	TYR_80:HN	    6.600  
TYR_80:HN	THR_81:HG2*         8.000  
TYR_80:HA	LYS+_84:HB1         5.800  
TYR_80:HB1	THR_81:HN	    5.900  
TYR_80:HB1	THR_81:HB	    5.800  
TYR_80:HB1	LYS+_82:HN	    7.300  
TYR_80:HB1	LYS+_83:HN	    4.800  
TYR_80:HB1	VAL_86:HB	    7.500  
TYR_80:HB2	THR_81:HN	    5.300  
TYR_80:HB2	LYS+_83:HN	    7.400  
TYR_80:HB2	VAL_86:HGR*	    8.000  
TYR_80:CG	THR_81:HN	    7.600  
TYR_80:CG	LYS+_82:HN	    9.500  
TYR_80:CG	LYS+_82:HB1	    9.500  
TYR_80:CG	LYS+_82:HG1	    6.900  
TYR_80:CG	LYS+_83:HN	    6.600  
TYR_80:CG	LYS+_83:HBR	    7.300  
TYR_80:CG	LYS+_83:HBS	    8.800  
For THR_81
THR_81:HA	LYS+_82:HN	    6.300  
THR_81:HG2*	LYS+_82:HN	    9.500  
For LYS+_82
LYS+_82:HA	HIS_85:HD2	    3.400  
For LYS+_83
LYS+_83:HA	LYS+_83:HG1	    3.500  
LYS+_83:HA	LYS+_83:HG2	    3.700  
LYS+_83:HN	LYS+_84:HN	    5.300  
LYS+_83:HN	VAL_86:HGS*	    8.000  
LYS+_83:HBR	VAL_86:HGS*	    8.000  
LYS+_83:HBR	LYS+_84:HN	    3.400  
LYS+_83:HBS	LYS+_84:HN	    4.300  
LYS+_83:HBS	VAL_86:HGS*	    8.000  
For LYS+_84
LYS+_84:HG*	LYS+_84:HN	    5.300  
LYS+_84:HN	HIS_85:HN	    5.700  
LYS+_84:HN	HIS_85:HD2	    5.200  
LYS+_84:HN	VAL_86:HGS*	    8.000  
LYS+_84:HN	GLN_100:HE21	    4.900  
LYS+_84:HN	GLN_100:HE22	    5.600  
LYS+_84:HA	HIS_85:HN	    2.900  
LYS+_84:HA	HIS_85:HD2	    6.300  
LYS+_84:HA	VAL_86:HGS*	    8.000  
LYS+_84:HB1	HIS_85:HN	    3.900  
LYS+_84:HB2	HIS_85:HN	    7.000  
For HIS_85
HIS_85:HN	HIS_85:HD2	    5.700  
HIS_85:HN	VAL_86:HN	    3.400  
HIS_85:HA       VAL_86:HN           3.500  
HIS_85:HB*	ALA_101:HN	    6.600  
For VAL_86
VAL_86:HGR*	VAL_86:HA	    6.500  
VAL_86:HGS*	VAL_86:HA	    6.500  
VAL_86:HGR*	LEU_87:HA	    6.500  
VAL_86:HGR*	ARG+_88:HD1	    6.500  
VAL_86:HGR*	ARG+_88:HD2	    6.500  
VAL_86:HGS*	LEU_87:HA	    6.500  
VAL_86:HGS*	GLN_100:HG1	    6.500  
VAL_86:HGS*	GLN_100:HG2	    6.500  
VAL_86:HN	LEU_87:HN	    7.500  
VAL_86:HA	LEU_87:HN	    4.000  
VAL_86:HB	GLN_100:HG2	    7.500  
VAL_86:HGR*	LEU_87:HN	    8.000  
VAL_86:HGR*	ARG+_88:HE	    8.000  
VAL_86:HGR*	LEU_99:HN	    8.000  
VAL_86:HGS*	LEU_87:HN	    8.000  
VAL_86:HGS*	ARG+_88:HE	    8.000  
VAL_86:HGS*	GLN_100:HN	    8.000  
VAL_86:HGS*	GLN_100:HB2	    8.000  
For LEU_87
LEU_87:HA	ARG+_88:HB1	    4.200  
LEU_87:HA	LEU_99:HG	    4.500  
LEU_87:HG	LEU_99:HA	    4.500  
LEU_87:HD1*	LEU_99:HA	    6.500  
LEU_87:HD1*	LEU_99:HBR	    6.500  
LEU_87:HD1*	LEU_99:HBS	    6.500  
LEU_87:HD1*	LEU_99:HG	    6.500  
LEU_87:HD2*	LEU_99:HA	    6.500  
LEU_87:HN	LEU_99:HN	    3.900  
LEU_87:HN	LEU_99:HBR	    5.100  
LEU_87:HN	LEU_99:HG	    3.600  
LEU_87:HN	LEU_99:HD1*	    8.000  
LEU_87:HN	LEU_99:HD2*	    8.000  
LEU_87:HN	ALA_101:HN	    5.800  
LEU_87:HB*	ARG+_88:HN	    5.500  
LEU_87:HD1*	LEU_99:HN	    8.000  
LEU_87:HD1*	GLN_100:HN	    8.000  
LEU_87:HD2*	LEU_99:HN	    8.000  
LEU_87:HD2*	GLN_100:HN	    8.000  
For ARG+_88
ARG+_88:HG*	ARG+_88:HA	    5.700  
ARG+_88:HA	LEU_96:HD*	    7.900  
ARG+_88:HA	LEU_98:HD2*	    6.500  
ARG+_88:HB1	ARG+_88:HD1	    3.900  
ARG+_88:HD1	LEU_96:HD*	    7.900  
ARG+_88:HD2	LEU_96:HD*	    7.900  
ARG+_88:HN	LEU_98:HD2*	    8.000  
ARG+_88:HA	LEU_99:HN	    4.700  
ARG+_88:HA      VAL_89:HN           3.400  
ARG+_88:HG*	VAL_89:HN	    5.900  
ARG+_88:HG*	LEU_98:HN	    6.700  
ARG+_88:HD1	LEU_98:HD2*	    8.000  
ARG+_88:HD2	LEU_98:HD2*	    8.000  
For VAL_89
VAL_89:HGR*	VAL_89:HA	    6.500  
VAL_89:HGS*	VAL_89:HA	    6.500  
VAL_89:HB	PHE_97:CG	    7.400  
VAL_89:HGR*	LEU_91:HG	    6.500  
VAL_89:HGR*	PHE_97:CG	    8.500  
VAL_89:HGR*	GLN_117:HBR	    6.500  
VAL_89:HGR*	GLN_117:HBS	    6.500  
VAL_89:HGS*	PHE_97:HBR	    6.500  
VAL_89:HGS*	PHE_97:HBS	    6.500  
VAL_89:HGS*	PHE_97:CG	    8.500  
VAL_89:HN	LEU_96:HD*	    9.400  
VAL_89:HN	PHE_97:HBR	    5.300  
VAL_89:HN	PHE_97:CG	    9.500  
VAL_89:HA	LYS+_90:HN	    3.900  
VAL_89:HGR*	LYS+_90:HN	    8.000  
VAL_89:HGR*	PHE_97:HBR	    8.000  
VAL_89:HGR*	PHE_97:CZ	   10.000 
VAL_89:HGS*	LYS+_90:HN	    8.000  
VAL_89:HGS*	PHE_97:CZ	   10.000 
For LYS+_90
LYS+_90:HA	LEU_96:HA	    2.800  
LYS+_90:HA	LEU_96:HD*	    7.900  
LYS+_90:HB1	LEU_96:HD*	    7.900  
LYS+_90:HB2	LEU_96:HD*	    7.900  
LYS+_90:HA	LEU_91:HBR	    6.000  
LYS+_90:HA	LEU_91:HBS	    6.100  
LYS+_90:HA	LEU_91:HG	    5.100  
LYS+_90:HB2	LEU_91:HN	    5.100  
For LEU_91
LEU_91:HA	LEU_91:HG	    3.800  
LEU_91:HD1*	LEU_91:HA	    6.500  
LEU_91:HD2*	LEU_91:HA	    6.500  
LEU_91:HD1*	LEU_91:HBR	    6.500  
LEU_91:HD2*	LEU_91:HBR	    6.500  
LEU_91:HBR	ALA_95:HB*	    6.500  
LEU_91:HD1*	LEU_91:HBS	    6.500  
LEU_91:HD2*	LEU_91:HBS	    6.500  
LEU_91:HD1*	ALA_92:HA	    6.600  
LEU_91:HD1*	PHE_97:CG	    8.500  
LEU_91:HD1*	PHE_97:CZ	    8.500  
LEU_91:HD2*	ASN_93:HA	    6.500  
LEU_91:HD2*	PHE_97:CG	    8.500  
LEU_91:HD2*	PHE_97:CZ	    8.500  
LEU_91:HN	ALA_92:HN	    5.900  
LEU_91:HN	ALA_95:HN	    5.500  
LEU_91:HN	LEU_96:HA	    4.400  
LEU_91:HA	ALA_92:HN	    3.400  
LEU_91:HBR	ALA_92:HN	    3.900  
LEU_91:HBR	ASN_93:HN	    4.500  
LEU_91:HBR	ALA_95:HN	    4.200  
LEU_91:HBS	ALA_92:HN	    3.500  
LEU_91:HBS	ASN_93:HN	    4.200  
LEU_91:HBS	ALA_95:HN	    5.200  
LEU_91:HG	ALA_95:HN	    6.500  
LEU_91:HG	PHE_97:CG	    9.400  
LEU_91:HG	PHE_97:CZ	    7.100  
LEU_91:HD1*	ALA_92:HN	    8.000  
LEU_91:HD1*	ASN_93:HN	    8.000  
LEU_91:HD1*	PHE_97:HZ	    8.000  
LEU_91:HD2*	ALA_92:HN	    8.000  
LEU_91:HD2*	ASN_93:HN	    8.000  
LEU_91:HD2*	ALA_95:HN	    8.000  
LEU_91:HD2*	PHE_97:HZ	    8.000  
For ALA_92
ALA_92:HB*	ASN_93:HA	    6.500  
ALA_92:HN	ASN_93:HN	    4.100  
ALA_92:HB*	ASN_93:HN	    8.000  
ALA_92:HN       GLY_94:HN           7.500  
ALA_92:HB*      GLY_94:HN           8.000  
For ASN_93
ASN_93:HN	GLY_94:HN	    3.500  
ASN_93:HN	ALA_95:HB*	    8.000  
ASN_93:HA	GLY_94:HN	    5.800  
For GLY_94
GLY_94:HN	ALA_95:HN	    3.300  
GLY_94:HA1      ALA_95:HN           5.500  
GLY_94:HA2      ALA_95:HN           4.400  
For ALA_95
ALA_95:HB*	PHE_97:CG	    8.500  
ALA_95:HB*	PHE_97:CZ	    8.500  
ALA_95:HN	LEU_96:HN	    5.500  
ALA_95:HA	LEU_96:HN	    3.200  
ALA_95:HB*	LEU_96:HN	    8.000  
ALA_95:HB*	PHE_97:HZ	    8.000  
For LEU_96
LEU_96:HD*	LEU_96:HA	    8.200  
LEU_96:HD*	LEU_96:HB2	    7.900  
LEU_96:HB2	PHE_97:CG	    6.000  
LEU_96:HD*	PHE_97:HA	    7.900  
LEU_96:HN	LEU_96:HD*	   10.400
LEU_96:HN	PHE_97:CG	    9.500  
LEU_96:HN	PHE_97:CZ	    7.500  
LEU_96:HA	PHE_97:HN	    3.000  
LEU_96:HA	PHE_97:HBR	    5.600  
LEU_96:HB1	PHE_97:HN	    4.300  
LEU_96:HD*	PHE_97:HN	    9.400  
For PHE_97
PHE_97:CG	PHE_97:HA	    4.600  
PHE_97:CZ	PHE_97:HA	    6.100  
PHE_97:CZ	PHE_97:HBR	    6.400  
PHE_97:CG	PHE_97:HN	    6.000  
PHE_97:HA	LEU_98:HN	    3.500  
PHE_97:HBS	LEU_98:HN	    4.500  
For LEU_98
LEU_98:HD2*	LEU_98:HA	    6.500  
LEU_98:HA	LEU_99:HN	    3.200  
LEU_98:HBR	LEU_99:HN	    4.700  
LEU_98:HBS	LEU_99:HN	    4.700  
LEU_98:HD1*	LEU_99:HN	    8.000  
LEU_98:HD2*	LEU_99:HN	    8.000  
For LEU_99
LEU_99:HD1*	VAL_111:HGS*	    7.500  
LEU_99:HN	GLN_100:HN	    6.100  
LEU_99:HA	GLN_100:HN	    3.300  
LEU_99:HBR	GLN_100:HN	    5.100  
LEU_99:HBS	GLN_100:HN	    4.600  
LEU_99:HD1*	TRP_110:HD1	    8.000  
LEU_99:HD2*	TRP_110:HA	    8.000  
LEU_99:HD2*	TRP_110:HE3	    8.000  
For GLN_100
GLN_100:HA	GLN_100:HG2	    3.300  
GLN_100:HN	ALA_101:HN	    6.700  
GLN_100:HA	ALA_101:HN	    2.800  
GLN_100:HG1	ALA_101:HN	    4.400  
For ALA_101
ALA_101:HA	TRP_110:HD1	    4.800  
ALA_101:HB*	TRP_110:HD1	    6.500  
ALA_101:HB*	TRP_110:HZ2	    6.500  
ALA_101:HA	HIS_102:HN	    3.400  
ALA_101:HA	ASP-_103:HN	    5.800  
ALA_101:HB*	HIS_102:HN	    8.000  
ALA_101:HB*	ASP-_103:HN	    8.000  
ALA_101:HB*	GLU-_106:HN	    8.000  
ALA_101:HB*	GLU-_106:HG2	    8.000  
ALA_101:HB*	MET_107:HB2	    8.000  
ALA_101:HB*	TRP_110:HN	    8.000  
ALA_101:HB*	TRP_110:HE1	    8.000  
For HIS_102
THR_105:HG2*	THR_105:HA	    6.500  
HIS_102:HN	ASP-_103:HN	    3.900  
HIS_102:HN	TRP_110:HD1	    7.500  
HIS_102:HA	ASP-_103:HN	    3.900  
HIS_102:HA	GLU-_106:HG1	    5.900  
HIS_102:HB1	ASP-_103:HN	    4.200  
HIS_102:HB1	GLU-_106:HB*	    6.300  
For ASP-_103
ASP-_103:HN	THR_105:HN	    4.400  
ASP-_103:HN	GLU-_106:HN	    5.300  
ASP-_103:HN	GLU-_106:HA	    6.300  
ASP-_103:HN	GLU-_106:HB*	    4.500  
ASP-_103:HN	GLU-_106:HG1	    6.800  
ASP-_103:HN	MET_107:HA	    5.300  
For ASP-_104
ASP-_104:HN	THR_105:HN	    5.800  
ASP-_104:HA	MET_107:HB1	    6.300  
ASP-_104:HA	MET_107:HB2	    5.100  
ASP-_104:HB1	MET_107:HN	    5.300  
ASP-_104:HB2	MET_107:HN	    5.100  
For THR_105
THR_105:HG2*	GLN_109:HBR	    6.500  
THR_105:HN      GLU-_106:HN         3.000  
THR_105:HA	GLU-_106:HN	    4.100  
THR_105:HB	GLU-_106:HN	    3.500  
THR_105:HG2*	GLU-_106:HN	    8.000  
THR_105:HG2*	GLN_109:HN	    8.000  
THR_105:HG2*	GLN_109:HE21	    8.000  
For GLU-_106
GLU-_106:HA	GLU-_106:HG2	    3.200  
GLU-_106:HA	GLN_109:HBR	    2.800  
GLU-_106:HA	GLN_109:HBS	    3.400  
GLU-_106:HG1	TRP_110:HD1	    3.300  
GLU-_106:HG2	TRP_110:HD1	    4.100  
GLU-_106:HN	GLU-_106:HG1	    4.100  
GLU-_106:HN	GLU-_106:HG2	    3.700  
GLU-_106:HN	MET_107:HN	    3.400  
GLU-_106:HA	GLN_109:HN	    3.900  
GLU-_106:HA	TRP_110:HN	    6.500  
GLU-_106:HB*	TRP_110:HN	    6.800  
GLU-_106:HB*	TRP_110:HE1	    8.500  
GLU-_106:HG1	TRP_110:HE1	    4.900  
GLU-_106:HG2	TRP_110:HE1	    6.200  
GLU-_106:HA     TRP_110:HD1         6.100  
GLU-_106:HB*    TRP_110:HD1         5.700  
For MET_107
MET_107:HA	TRP_110:HBR	    3.800  
MET_107:HA	TRP_110:HBS	    5.100  
MET_107:HA	TRP_110:HN	    5.200  
MET_107:HA      TRP_110:HD1         3.500  
For SER_108
SER_108:HA	VAL_111:HB	    2.900  
SER_108:HA	VAL_111:HGR*	    6.500  
SER_108:HA	VAL_111:HGS*	    6.500  
SER_108:HN	GLN_109:HN	    3.400  
SER_108:HA	GLN_109:HN	    5.000  
SER_108:HA	VAL_111:HN	    3.600  
SER_108:HA	VAL_111:HA	    5.900  
SER_108:HB*	GLN_109:HN	    6.000  
SER_108:HB*	VAL_111:HB	    7.800  
For GLN_109
GLN_109:HA	THR_112:HB	    4.000  
GLN_109:HA	THR_112:HG2*	    6.500  
GLN_109:HN	TRP_110:HN	    3.300  
GLN_109:HN	TRP_110:HD1	    6.100  
GLN_109:HN	VAL_111:HN	    5.600  
GLN_109:HA	THR_112:HN	    4.900  
GLN_109:HBR	TRP_110:HN	    4.300  
GLN_109:HBS	TRP_110:HN	    4.100  
GLN_109:HG1	TRP_110:HN	    5.300  
For TRP_110
TRP_110:HA	TRP_110:HD1	    5.000  
TRP_110:HA	TRP_110:HE3	    2.700  
TRP_110:HA	SER_113:HBR	    3.400  
TRP_110:HA	SER_113:HBS	    3.800  
TRP_110:HA	LEU_114:HD1*	    6.500  
TRP_110:HBR	VAL_111:HGR*	    6.500  
TRP_110:HBR	VAL_111:HGS*	    6.500  
TRP_110:HBR	LEU_114:HD1*	    7.000  
TRP_110:HBR	LEU_114:HD2*	    6.500  
TRP_110:HBS	VAL_111:HGR*	    6.500  
TRP_110:HBS	LEU_114:HD1*	    6.500  
TRP_110:HBS	LEU_114:HD2*	    6.500  
TRP_110:HE3	SER_113:HBR	    4.600  
TRP_110:HE3	SER_113:HBS	    4.900  
TRP_110:HE3	LEU_114:HG	    2.800  
TRP_110:HE3	LEU_114:HD1*	    6.500  
TRP_110:HE3	LEU_114:HD2*	    6.500  
TRP_110:HZ3	LEU_114:HD2*	    6.500  
TRP_110:HN	TRP_110:HE3	    5.000  
TRP_110:HN	VAL_111:HB	    7.200  
TRP_110:HN	VAL_111:HGR*	    8.000  
TRP_110:HN	VAL_111:HGS*	    8.000  
TRP_110:HN	LEU_114:HD2*	    8.000  
TRP_110:HA	VAL_111:HN	    6.600  
TRP_110:HA	SER_113:HN	    4.800  
TRP_110:HA	LEU_114:HN	    7.500  
TRP_110:HA	LEU_114:HG	    4.600  
TRP_110:HA	LEU_114:HD2*	    8.000  
TRP_110:HBS	VAL_111:HN	    4.100  
TRP_110:HD1	VAL_111:HN	    6.300  
TRP_110:HE3	VAL_111:HN	    7.500  
TRP_110:HE3	SER_113:HN	    5.700  
TRP_110:HE3	LEU_114:HN	    4.200  
TRP_110:HE3	LEU_114:HA	    5.800  
TRP_110:HZ3	LEU_114:HD1*	    8.000  
For VAL_111
VAL_111:HGR*	VAL_111:HA	    6.500  
VAL_111:HGS*	VAL_111:HA	    6.500  
VAL_111:HA	LEU_114:HBR	    4.000  
VAL_111:HA	LEU_114:HD1*	    6.500  
VAL_111:HA	LEU_114:HD2*	    6.500  
VAL_111:HGR*	THR_112:HA	    6.500  
VAL_111:HN	THR_112:HN	    3.300  
VAL_111:HN	SER_113:HN	    5.800  
VAL_111:HN	LEU_114:HD2*	    8.000  
VAL_111:HA	THR_112:HN	    4.200  
VAL_111:HA	THR_112:HA	    6.600  
VAL_111:HA	SER_113:HN	    6.100  
VAL_111:HA	LEU_114:HN	    4.200  
VAL_111:HA	LYS+_115:HN	    5.000  
VAL_111:HB	THR_112:HN	    3.500  
VAL_111:HB	THR_112:HA	    6.000  
VAL_111:HB	SER_113:HN	    7.500  
VAL_111:HB	LEU_114:HN	    5.800  
VAL_111:HGR*	THR_112:HN	    8.000  
VAL_111:HGS*	THR_112:HN	    8.000  
For THR_112
THR_112:HG2*	THR_112:HA	    6.500  
THR_112:HA	LYS+_115:HB2	    3.300  
THR_112:HG2*	SER_113:HA	    6.500  
THR_112:HN	LEU_114:HN	    6.500  
THR_112:HA	SER_113:HN	    4.300  
THR_112:HA	LEU_114:HN	    7.400  
THR_112:HA	LYS+_115:HN	    4.100  
THR_112:HA	ALA_116:HN	    4.800  
THR_112:HG2*	SER_113:HN	    8.000  
THR_112:HG2*	ALA_116:HN	    8.000  
For SER_113
SER_113:HN	LEU_114:HN	    3.400  
SER_113:HN	LYS+_115:HN	    7.500  
SER_113:HA	LEU_114:HN	    5.800  
SER_113:HBR	LEU_114:HN	    4.100  
SER_113:HBR	ALA_116:HB*	    8.000  
SER_113:HBS	LEU_114:HN	    4.200  
SER_113:HBS	LEU_114:HD2*	    8.000  
For LEU_114
LEU_114:HD1*	LEU_114:HA	    6.500  
LEU_114:HD2*	LEU_114:HA	    6.500  
LEU_114:HA	GLN_117:HBS	    4.500  
LEU_114:HD1*	LEU_114:HBR	    6.500  
LEU_114:HD2*	LEU_114:HBR	    6.500  
LEU_114:HD1*	SER_118:HA	    7.200  
LEU_114:HD1*	LEU_114:HN	    8.000  
LEU_114:HD2*	LEU_114:HN	    8.000  
LEU_114:HN	LYS+_115:HN	    3.300  
LEU_114:HN	ALA_116:HN	    4.900  
LEU_114:HBR	LYS+_115:HN	    3.800  
LEU_114:HBS	LYS+_115:HN	    4.700  
LEU_114:HG	LYS+_115:HN	    6.200  
LEU_114:HD1*	LYS+_115:HN	    8.000  
LEU_114:HD2*	LYS+_115:HN	    8.000  
For LYS+_115
LYS+_115:HA	SER_118:HB2	    3.900  
LYS+_115:HN	LYS+_115:HG1	    4.800  
LYS+_115:HN	LYS+_115:HG2	    6.200  
LYS+_115:HN	ALA_116:HN	    3.200  
LYS+_115:HN	GLN_117:HN	    5.700  
LYS+_115:HB2	ALA_116:HN	    3.800  
For ALA_116
ALA_116:HA	GLN_117:HN	    4.400  
ALA_116:HB*	GLN_117:HN	    8.000  
ALA_116:HB*	GLN_117:HG2	    8.000  
For GLN_117
GLN_117:HA	GLN_117:HG1	    4.100  
GLN_117:HBR	SER_118:HN	    6.600  
GLN_117:HG1	SER_118:HN	    7.500  
GLN_117:HG2	SER_118:HN	    5.200  
For SER_118
SER_118:HA	ASP-_119:HN	    4.900  
For ASP-_119
ASP-_119:HN	SER_120:HN	    4.600  
ASP-_119:HBS	SER_120:HN	    6.200  
For SER_120
SER_120:HA	THR_121:HN	    4.700  
For THR_121
THR_121:HG2*	THR_121:HA	    6.500  
THR_121:HN	ALAC_122:HN	    4.300  
THR_121:HA      ALAC_122:HN         4.600  



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