Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
1572 | 1apq RC | cing | 1-original | 3 | DISCOVER | distance | NOE | simple |
!NOE distances used for structure calculations of C1r-EGF !The following lines contain the NOE distance information !Column 1 and 2 identify the two protons between which the NOE has been observed !Column 3 gives the lower bound, -1.000 corresponds to the sum of the two van der Waals radii !Column 4 gives the effective upper bound after correction for pseudoatoms !Column 5 is the original upper bound as extracted from the NOESY spectrum. !Columns 6 and 7 are the force constants in kcal/mol A2 for the lower and the upper bound, respectively. !A value of 25 kcal/mol A2 has been used for the rMD refinement (see the original publication for more !details on the force constants used). !Column 8 corresponds to the maximum force. #NOE_distance 1:VAL_24:HN 1:VAL_24:HA -1.000 3.120 3.120 50.00 50.00 1000.00 0.00 1:VAL_24:HN 1:VAL_24:HG* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:ASX_25:HN 1:ASX_25:HA -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:LEU_26:HN 1:ASX_25:HA -1.000 2.600 2.600 50.00 50.00 1000.00 0.00 1:LEU_26:HN 1:LEU_26:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:LEU_26:HN 1:LEU_26:HD2* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:LEU_26:HN 1:LEU_26:HD1* -1.000 4.360 3.360 50.00 50.00 1000.00 0.00 1:ASX_27:HN 1:LEU_26:HA -1.000 3.120 3.120 50.00 50.00 1000.00 0.00 1:ASX_27:HN 1:LEU_26:HB* -1.000 4.360 3.360 50.00 50.00 1000.00 0.00 1:ASX_27:HN 1:ASX_27:HA -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:ASX_27:HN 1:ALA_30:HB* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:ASX_27:HN 1:LEU_26:HD1* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:ASX_27:HN 1:LEU_26:HD2* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:GLX_28:HN 1:ASX_27:HA -1.000 2.600 2.600 50.00 50.00 1000.00 0.00 1:GLX_28:HN 1:ASX_27:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:GLX_28:HN 1:ASX_27:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:GLX_28:HN 1:LEU_26:HD1* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:GLX_28:HN 1:GLX_28:HG2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_29:HN 1:CYS_29:HA -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:CYS_29:HN 1:GLX_28:HA -1.000 3.800 3.360 50.00 50.00 1000.00 0.00 1:CYS_29:HN 1:ASX_27:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_29:HN 1:GLX_28:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:CYS_29:HN 1:ALA_30:HB* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:ALA_30:HN 1:ALA_30:HA -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:ALA_30:HN 1:CYS_29:HA -1.000 4.560 3.360 50.00 50.00 1000.00 0.00 1:ALA_30:HN 1:CYS_29:HB* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:SER_31:HN 1:ALA_30:HA -1.000 3.800 3.360 50.00 50.00 1000.00 0.00 1:SER_31:HN 1:CYS_29:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:SER_31:HN 1:CYS_29:HB* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:SER_31:HN 1:ALA_30:HB* -1.000 4.360 3.360 50.00 50.00 1000.00 0.00 1:ARX_32:HN 1:SER_31:HA -1.000 3.800 3.360 50.00 50.00 1000.00 0.00 1:ARX_32:HN 1:ARX_32:HD* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:ARX_32:HN 1:SER_31:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:ARX_32:HN 1:SER_31:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:ARX_32:HN 1:ALA_30:HB* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:SER_33:HN 1:ARX_32:HA -1.000 3.800 3.360 50.00 50.00 1000.00 0.00 1:SER_33:HN 1:ARX_32:HB2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:SER_33:HN 1:ARX_32:HD* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:SER_33:HN 1:ARX_32:HB1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:LYX_34:HN 1:SER_33:HB* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:LYX_34:HN 1:SER_33:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:SER_35:HN 1:LYX_34:HA -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:GLY_36:HN 1:SER_35:HA -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:GLY_36:HN 1:SER_35:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:GLY_36:HN 1:SER_35:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:GLX_37:HN 1:GLY_36:HA* -1.000 3.600 2.600 50.00 50.00 1000.00 0.00 1:GLX_37:HN 1:GLX_37:HG* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:GLX_38:HN 1:ASX_39:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:GLX_38:HN 1:GLX_38:HG* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:ASX_39:HN 1:GLX_38:HA -1.000 2.600 3.360 50.00 50.00 1000.00 0.00 1:ASX_39:HN 1:PRO_40:HD* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:ASX_39:HN 1:PRO_40:HB* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:ASX_39:HN 1:GLX_38:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:ASX_39:HN 1:GLX_38:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:GLN_41:HN 1:PRO_40:HA -1.000 2.600 2.600 50.00 50.00 1000.00 0.00 1:GLN_41:HN 1:PRO_42:HD1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:GLN_41:HN 1:PRO_42:HD2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:GLN_41:HE21 1:GLN_41:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:GLN_41:HE22 1:GLN_41:HB1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:GLN_43:HN 1:PRO_42:HA -1.000 2.800 3.360 50.00 50.00 1000.00 0.00 1:GLN_43:HE21 1:GLN_43:HG* -1.000 4.360 3.360 50.00 50.00 1000.00 0.00 1:GLN_43:HE22 1:GLN_43:HG* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:GLN_45:HN 1:HIS_70:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:GLN_45:HN 1:GLN_45:HG2 -1.000 3.800 3.360 50.00 50.00 1000.00 0.00 1:GLN_45:HE21 1:GLN_45:HB1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:GLN_45:HE21 1:GLN_45:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:GLN_45:HE21 1:GLN_45:HG1 -1.000 3.800 3.360 50.00 50.00 1000.00 0.00 1:GLN_45:HE21 1:GLN_45:HG2 -1.000 3.800 3.360 50.00 50.00 1000.00 0.00 1:GLN_45:HE22 1:GLN_45:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HN 1:CYS_59:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HN 1:GLN_45:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HN 1:GLN_45:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HN 1:GLN_45:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HD2 1:CYS_59:HA -1.000 7.000 7.000 50.00 50.00 1000.00 0.00 1:HIS_46:HD2 1:HIS_46:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HD2 1:SER_71:HA -1.000 7.000 7.000 50.00 50.00 1000.00 0.00 1:HIS_46:HD2 1:GLN_45:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_46:HD2 1:GLN_45:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HD2 1:GLN_45:HG1 -1.000 4.200 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HD2 1:GLN_45:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HD2 1:GLN_45:HG2 -1.000 4.200 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HD2 1:CYS_72:HB2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_46:HD2 1:CYS_72:HB1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:LEU_47:HN 1:CYS_59:HA -1.000 3.120 3.120 50.00 50.00 1000.00 0.00 1:LEU_47:HN 1:HIS_46:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:LEU_47:HN 1:HIS_46:HB2 -1.000 3.120 3.120 50.00 50.00 1000.00 0.00 1:LEU_47:HN 1:HIS_46:HB1 -1.000 3.120 3.120 50.00 50.00 1000.00 0.00 1:LEU_47:HN 1:LEU_47:HG -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:CYS_48:HN 1:LEU_47:HA -1.000 2.800 3.360 50.00 50.00 1000.00 0.00 1:CYS_48:HN 1:LEU_47:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:CYS_48:HN 1:LEU_47:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:CYS_48:HN 1:LEU_47:HD1* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:CYS_48:HN 1:CYS_48:HA -1.000 3.000 3.000 50.00 50.00 1000.00 0.00 1:HIS_49:HN 1:CYS_48:HA -1.000 2.600 2.600 50.00 50.00 1000.00 0.00 1:HIS_49:HN 1:CYS_48:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_49:HN 1:CYS_48:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_49:HD2 1:HIS_49:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_49:HD2 1:HIS_49:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_49:HD2 1:SER_58:HB2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_49:HD2 1:SER_58:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_49:HD2 1:HIS_49:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_49:HD2 1:SER_58:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_49:HD2 1:CYS_57:HA -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:HIS_49:HD2 1:CYS_48:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:ASN_50:HN 1:HIS_49:HA -1.000 2.600 2.600 50.00 50.00 1000.00 0.00 1:ASN_50:HN 1:HIS_49:HB2 -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:ASN_50:HN 1:HIS_49:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:ASN_50:HD21 1:ASX_27:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:ASN_50:HD21 1:CYS_29:HB* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:ASN_50:HD21 1:ASN_50:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:ASN_50:HD21 1:ASN_50:HB2 -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:ASN_50:HD21 1:ASN_50:HB1 -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:ASN_50:HD22 1:ASX_27:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:ASN_50:HD22 1:CYS_29:HB* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:ASN_50:HD22 1:ASN_50:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:ASN_50:HD22 1:ASN_50:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HN 1:ASN_50:HA -1.000 2.600 2.600 50.00 50.00 1000.00 0.00 1:TYR_51:HN 1:TYR_55:HA -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:TYR_51:HN 1:ASN_50:HB1 -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:TYR_51:HN 1:ASN_50:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:VAL_52:HG1* -1.000 7.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:VAL_52:HG2* -1.000 7.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:TYR_55:HB1 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:TYR_55:HB2 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:TYR_51:HB1 -1.000 5.120 3.120 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:TYR_51:HB2 -1.000 5.120 3.120 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:VAL_52:HA -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:GLY_53:HA* -1.000 7.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:ASN_50:HA -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HE* 1:ASN_50:HA -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_51:HE* 1:PHE_56:HA -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HE* 1:GLY_54:HA1 -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HE* 1:VAL_52:HA -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HE* 1:TYR_51:HB2 -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HE* 1:TYR_51:HB1 -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HE* 1:VAL_52:HG2* -1.000 7.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HE* 1:VAL_52:HG1* -1.000 7.560 4.560 50.00 50.00 1000.00 0.00 1:VAL_52:HN 1:TYR_51:HA -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:VAL_52:HN 1:TYR_51:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:VAL_52:HN 1:TYR_51:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:VAL_52:HN 1:VAL_52:HG1* -1.000 4.120 3.120 50.00 50.00 1000.00 0.00 1:VAL_52:HN 1:VAL_52:HG2* -1.000 4.120 3.120 50.00 50.00 1000.00 0.00 1:GLY_53:HN 1:VAL_52:HA -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:GLY_53:HN 1:VAL_52:HG1* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:GLY_54:HN 1:VAL_52:HA -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:GLY_54:HN 1:VAL_52:HG1* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:GLY_54:HN 1:VAL_52:HG2* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_55:HN 1:GLY_54:HA1 -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:TYR_55:HN 1:GLY_54:HA2 -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:TYR_55:HD* 1:PHE_56:HA -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_55:HD* 1:GLY_54:HA1 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_55:HD* 1:GLY_54:HA2 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_55:HD* 1:TYR_55:HB2 -1.000 5.360 3.360 50.00 50.00 1000.00 0.00 1:TYR_55:HD* 1:TYR_55:HB1 -1.000 5.360 3.360 50.00 50.00 1000.00 0.00 1:TYR_55:HD* 1:GLX_28:HG1 -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_55:HD* 1:GLX_28:HG2 -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_55:HD* 1:GLX_28:HB1 -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_55:HD* 1:GLX_28:HB2 -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:TYR_55:HA -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:PHE_56:HA -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:GLN_43:HA -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:GLY_54:HA1 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:TYR_55:HB2 -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:ARX_32:HD* -1.000 7.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:TYR_55:HB1 -1.000 5.360 3.360 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:GLX_28:HG1 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:GLX_28:HG2 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:GLN_43:HG* -1.000 7.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:GLX_28:HB1 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:GLX_28:HB2 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:ARX_32:HG1 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:PHE_56:HN 1:TYR_55:HA -1.000 2.600 2.600 50.00 50.00 1000.00 0.00 1:PHE_56:HN 1:ASN_50:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:PHE_56:HN 1:TYR_55:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:PHE_56:HN 1:TYR_55:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:PHE_56:HN 1:HIS_49:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:TYR_55:HA -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:SER_58:HA -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:PHE_56:HA -1.000 5.360 3.360 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:SER_58:HB1 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:TYR_51:HB2 -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:TYR_51:HB1 -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:PHE_56:HB2 -1.000 5.360 3.360 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:PHE_56:HB1 -1.000 5.360 3.360 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:TYR_55:HB1 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:HIS_49:HB1 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:HIS_49:HB2 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:LEU_47:HD1* -1.000 9.000 6.000 50.00 50.00 1000.00 0.00 1:PHE_56:HE* 1:SER_58:HB2 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:PHE_56:HE* 1:SER_58:HB1 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:PHE_56:HE* 1:TYR_51:HD* -1.000 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1:TYR_51:HN -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_29:HN 1:ASN_50:HD22 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_29:HN 1:ASN_50:HD21 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_29:HN 1:ALA_30:HN -1.000 4.200 4.560 50.00 50.00 1000.00 0.00 1:CYS_29:HN 1:GLX_28:HN -1.000 4.200 4.560 50.00 50.00 1000.00 0.00 1:GLX_67:HN 1:ASX_68:HN -1.000 4.000 4.560 50.00 50.00 1000.00 0.00 1:GLX_67:HN 1:ARX_69:HN -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:ASN_50:HN 1:ASN_50:HD22 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:ASN_50:HN 1:ASN_50:HD21 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_51:HN 1:TYR_51:HD* -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HN 1:GLY_54:HN -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:GLN_73:HN 1:TYR_63:HD* -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:GLN_73:HN 1:GLN_66:HE22 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:GLN_73:HN 1:GLN_66:HE21 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:ARX_69:HN 1:ASX_68:HN -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:GLN_66:HN 1:GLN_66:HE22 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:GLN_66:HN 1:GLN_66:HE21 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:ASX_25:HN 1:LEU_26:HN -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:GLX_38:HN 1:ASX_39:HN -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:ASX_27:HN 1:LEU_26:HN -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:GLY_36:HN 1:GLX_37:HN -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:VAL_52:HN 1:TYR_51:HD* -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:GLX_28:HN 1:ASN_50:HD22 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:GLX_28:HN 1:ASN_50:HD21 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_55:HN 1:TYR_51:HE* -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_55:HN 1:TYR_55:HE* -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_55:HN 1:TYR_55:HD* -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_55:HN 1:TYR_51:HD* -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_55:HN 1:GLY_54:HN 2.500 6.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_63:HN 1:TYR_63:HD* -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_63:HN 1:TYR_63:HE* -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:SER_31:HN 1:ALA_30:HN -1.000 4.200 4.560 50.00 50.00 1000.00 0.00 1:ARX_32:HN 1:SER_33:HN -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:GLXC_75:HN 1:TYR_63:HD* -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:GLN_45:HN 1:HIS_46:HD2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:GLY_54:HN 1:TYR_51:HE* -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:GLY_54:HN 1:TYR_51:HD* -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:PHE_56:HD* -1.000 7.960 4.560 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:HIS_49:HD2 -1.000 6.560 4.560 50.00 50.00 1000.00 0.00 1:CYS_59:HA 1:HIS_46:HB2 -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:CYS_59:HA 1:TYR_63:HB2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_59:HA 1:HIS_46:HB1 -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:CYS_59:HA 1:TYR_63:HB1 -1.000 5.500 5.500 50.00 50.00 1000.00 0.00 1:CYS_59:HA 1:LEU_47:HG -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_72:HA 1:TYR_63:HB1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_72:HA 1:LEU_65:HD1* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_72:HA 1:LEU_65:HD2* -1.000 6.500 5.500 50.00 50.00 1000.00 0.00 1:ASN_50:HA 1:TYR_55:HB2 -1.000 4.500 4.500 50.00 50.00 1000.00 0.00 1:HIS_70:HA 1:LEU_65:HD2* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_70:HA 1:LEU_65:HD1* -1.000 5.000 4.000 50.00 50.00 1000.00 0.00 1:TYR_63:HA 1:ALA_74:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_63:HA 1:ALA_74:HB* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_51:HA 1:VAL_52:HG2* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:GLN_73:HA 1:ALA_74:HB* -1.000 5.500 4.500 50.00 50.00 1000.00 0.00 1:SER_71:HA 1:GLN_45:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:SER_71:HA 1:GLN_45:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:LEU_47:HA 1:LEU_47:HD1* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:LEU_47:HA 1:LEU_47:HD2* -1.000 7.600 6.600 50.00 50.00 1000.00 0.00 1:HIS_46:HB2 1:CYS_59:HB2 -1.000 6.600 6.600 50.00 50.00 1000.00 0.00 1:HIS_46:HB2 1:CYS_59:HB1 -1.000 6.600 6.600 50.00 50.00 1000.00 0.00 1:HIS_46:HB2 1:LEU_47:HG -1.000 6.600 6.600 50.00 50.00 1000.00 0.00 1:HIS_46:HB2 1:LEU_47:HD2* -1.000 7.600 6.600 50.00 50.00 1000.00 0.00 1:SER_71:HB* 1:GLN_66:HB2 -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:SER_71:HB* 1:GLN_66:HG* -1.000 6.960 4.560 50.00 50.00 1000.00 0.00 1:SER_71:HB* 1:GLN_66:HB1 -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:CYS_57:HB2 1:LEU_65:HD1* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:PRO_61:HD2 1:ARX_60:HG2 -1.000 6.600 6.600 50.00 50.00 1000.00 0.00 1:PRO_61:HD1 1:ARX_60:HG2 -1.000 5.400 5.400 50.00 50.00 1000.00 0.00 1:TYR_63:HB2 1:CYS_59:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_63:HB2 1:CYS_59:HB1 -1.000 3.200 3.200 50.00 50.00 1000.00 0.00 1:TYR_63:HB2 1:CYS_72:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_63:HB2 1:CYS_72:HB1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:PRO_42:HD1 1:GLN_41:HA -1.000 3.120 3.120 50.00 50.00 1000.00 0.00 1:PRO_42:HD1 1:GLN_41:HB2 -1.000 4.500 4.500 50.00 50.00 1000.00 0.00 1:PRO_42:HD1 1:GLN_41:HB1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:PRO_42:HD2 1:GLN_41:HA -1.000 3.120 3.120 50.00 50.00 1000.00 0.00 1:CYS_59:HB2 1:TYR_63:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:CYS_59:HB2 1:CYS_72:HB2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_59:HB2 1:CYS_72:HB1 -1.000 5.400 5.400 50.00 50.00 1000.00 0.00 1:ASX_27:HB2 1:ALA_30:HB* -1.000 6.400 5.400 50.00 50.00 1000.00 0.00 1:CYS_57:HB1 1:LEU_65:HD2* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_57:HB1 1:LEU_65:HD1* -1.000 6.400 5.400 50.00 50.00 1000.00 0.00 1:CYS_72:HB1 1:CYS_59:HB1 -1.000 6.600 6.600 50.00 50.00 1000.00 0.00 1:CYS_59:HB1 1:TYR_63:HB1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:ARX_69:HA 1:LEU_65:HD2* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:ARX_69:HA 1:LEU_65:HD1* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:SER_58:HA 1:LEU_65:HD1* -1.000 6.000 5.000 50.00 50.00 1000.00 0.00 1:SER_58:HA 1:LEU_65:HD2* -1.000 6.000 5.000 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:VAL_52:HB -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:TYR_55:HA -1.000 5.360 3.360 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:PHE_56:HB1 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_51:HD* 1:PHE_56:HB2 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_51:HE* 1:PHE_56:HB1 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_51:HE* 1:PHE_56:HB2 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_51:HE* 1:TYR_55:HA -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:PHE_56:HD* 1:TYR_51:HE* -1.000 6.760 3.360 50.00 50.00 1000.00 0.00 1:TYR_63:HE* 1:HIS_46:HE1 -1.000 5.120 3.120 50.00 50.00 1000.00 0.00 1:TYR_55:HD* 1:ASN_50:HA -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:PHE_56:HE* 1:ASN_50:HA -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:TYR_63:HD* 1:HIS_46:HE1 -1.000 5.120 3.120 50.00 50.00 1000.00 0.00 1:TYR_55:HE* 1:HIS_70:HD2 -1.000 8.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_57:HA 1:HIS_70:HA -1.000 7.000 7.000 50.00 50.00 1000.00 0.00 1:CYS_57:HA 1:LEU_65:HD1* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_57:HA 1:LEU_65:HD2* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_57:HA 1:SER_58:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_57:HA 1:CYS_48:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:TYR_55:HA 1:ASN_50:HA -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 1:HIS_46:HE1 1:ARX_60:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_46:HE1 1:TYR_63:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HE1 1:CYS_59:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HE1 1:HIS_46:HB2 -1.000 7.000 7.000 50.00 50.00 1000.00 0.00 1:HIS_46:HE1 1:CYS_59:HB1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_46:HE1 1:TYR_63:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HE1 1:CYS_72:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HE1 1:TYR_63:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_46:HE1 1:CYS_72:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HE1 1:ARX_60:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_46:HE1 1:ALA_74:HB* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_46:HE1 1:ARX_60:HG2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_59:HA 1:HIS_46:HE1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_59:HA 1:HIS_46:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_59:HA 1:LEU_47:HD2* -1.000 5.560 4.560 50.00 50.00 1000.00 0.00 1:CYS_59:HA 1:CYS_72:HB1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_59:HA 1:CYS_72:HB2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_72:HA 1:LEU_65:HA -1.000 3.120 3.120 50.00 50.00 1000.00 0.00 1:CYS_72:HA 1:HIS_46:HE1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_72:HA 1:SER_71:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_72:HA 1:TYR_63:HB2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_72:HA 1:LEU_65:HB2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_72:HA 1:LEU_65:HB1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_72:HA 1:SER_71:HB* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_70:HA 1:CYS_44:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_70:HA 1:ARX_69:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_70:HA 1:ARX_69:HG2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_46:HA 1:GLN_45:HG1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:HIS_46:HA 1:LEU_47:HD1* -1.000 7.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_44:HA 1:CYS_44:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:CYS_44:HA 1:HIS_70:HB1 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_44:HA 1:HIS_70:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:CYS_44:HA 1:CYS_44:HB2 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:CYS_44:HB1 1:CYS_57:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_44:HB1 1:CYS_48:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_44:HB2 1:CYS_57:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_44:HB2 1:CYS_48:HA -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_44:HN 1:GLN_43:HA -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:CYS_44:HN 1:GLN_43:HB1 -1.000 4.560 4.560 50.00 50.00 1000.00 0.00 1:HIS_70:HA 1:CYS_57:HB2 -1.000 6.000 6.000 50.00 50.00 1000.00 0.00 1:CYS_44:HA 1:GLN_45:HN -1.000 3.360 3.360 50.00 50.00 1000.00 0.00 !"negative" NOE constraints for absent NOEs 1:CYS_57:HN 1:PHE_56:HN 3.000 10.00 10.000 50.00 50.00 1000.00 0.00 1:CYS_59:HN 1:CYS_57:HB1 3.500 10.00 10.000 50.00 50.00 1000.00 0.00 1:CYS_59:HN 1:CYS_57:HB2 3.500 10.00 10.000 50.00 50.00 1000.00 0.00