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

497586 2l56 cing 1-original 2 XPLOR/CNS distance NOE ambi
! NORMAL restraints!
!


assign (resid {G} 31 and name HN)(resid {V} 30 and name HA) 1.8 0.0 1.7 {M}
assign (resid {G} 31 and name HN)(resid {V} 30 and name HN) 1.8 0.0 3.2 {W}

assign (resid {V} 30 and name HN)(resid {L} 29 and name HA) 1.8 0.0 1.7 {M}
assign (resid {V} 30 and name HN)(resid {L} 29 and name HN) 1.8 0.0 3.2 {S}
assign (resid {V} 30 and name HN)(resid {K} 28 and name HN) 1.8 0.0 1.7 {M}

assign (resid {L} 29 and name HN)(resid {K} 28 and name HA) 1.8 0.0 1.7 {M}
assign (resid {L} 29 and name HN)(resid {L} 26 and name HA) 1.8 0.0 3.2 {W}
assign (resid {L} 29 and name HN)(resid {R} 25 and name HA) 1.8 0.0 3.2 {W}
assign (resid {L} 29 and name HN)(resid {K} 28 and name HN) 1.8 0.0 0.9 {S}

assign (resid {K} 28 and name HN)(resid {K} 27 and name HA) 1.8 0.0 1.7 {M}
assign (resid {K} 28 and name HN)(resid {R} 25 and name HA) 1.8 0.0 3.2 {W}
assign (resid {K} 28 and name HN)(resid {K} 27 and name HN) 1.8 0.0 0.9 {S}
assign (resid {K} 28 and name HN)(resid {L} 26 and name HN) 1.8 0.0 3.2 {W}

assign (resid {K} 27 and name HN)(resid {L} 26 and name HN) 1.8 0.0 0.9 {S}
assign (resid {K} 27 and name HN)(resid {R} 25 and name HN) 1.8 0.0 3.2 {W}

assign (resid {L} 26 and name HN)(resid {R} 25 and name HA) 1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {V} 23 and name HA) 1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {E} 22 and name HA) 1.8 0.0 3.2 {W}
assign (resid {L} 26 and name HN)(resid {R} 25 and name HN) 1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {A} 24 and name HN) 1.8 0.0 3.2 {W}

assign (resid {R} 25 and name HN)(resid {A} 24 and name HA) 1.8 0.0 1.7 {M}
assign (resid {R} 25 and name HN)(resid {E} 22 and name HA) 1.8 0.0 1.7 {M}
assign (resid {R} 25 and name HN)(resid {N} 21 and name HA) 1.8 0.0 3.2 {W}
assign (resid {R} 25 and name HN)(resid {A} 24 and name HN) 1.8 0.0 0.9 {S}

assign (resid {A} 24 and name HN)(resid {V} 23 and name HA) 1.8 0.0 1.7 {M}
assign (resid {A} 24 and name HN)(resid {E} 22 and name HA) 1.8 0.0 3.2 {W}
assign (resid {A} 24 and name HN)(resid {N} 21 and name HA) 1.8 0.0 1.7 {M}
assign (resid {A} 24 and name HN)(resid {V} 23 and name HN) 1.8 0.0 1.7 {M}
assign (resid {A} 24 and name HN)(resid {E} 22 and name HN) 1.8 0.0 3.2 {W}

assign (resid {V} 23 and name HN)(resid {E} 22 and name HA) 1.8 0.0 1.7 {M}
assign (resid {V} 23 and name HN)(resid {N} 21 and name HA) 1.8 0.0 3.2 {W}
assign (resid {V} 23 and name HN)(resid {E} 20 and name HA) 1.8 0.0 1.7 {M}
assign (resid {V} 23 and name HN)(resid {L} 19 and name HA) 1.8 0.0 3.2 {W}
assign (resid {V} 23 and name HN)(resid {E} 22 and name HN) 1.8 0.0 0.9 {S}
assign (resid {V} 23 and name HN)(resid {N} 21 and name HN) 1.8 0.0 3.2 {W}

assign (resid {E} 22 and name HN)(resid {N} 21 and name HA) 1.8 0.0 1.7 {M}
assign (resid {E} 22 and name HN)(resid {L} 19 and name HA) 1.8 0.0 3.2 {W}
assign (resid {E} 22 and name HN)(resid {E} 20 and name HA) 1.8 0.0 3.2 {W}
assign (resid {E} 22 and name HN)(resid {N} 21 and name HN) 1.8 0.0 1.7 {M}
assign (resid {E} 22 and name HN)(resid {E} 20 and name HN) 1.8 0.0 3.2 {W}

assign (resid {N} 21 and name HN)(resid {E} 20 and name HA) 1.8 0.0 1.7 {M}
assign (resid {N} 21 and name HN)((resid {H} 18 and name HA) 
        or (resid {Y} 17 and name HA)) 1.8 0.0 3.2 {W}
assign (resid {N} 21 and name HN)(resid {E} 20 and name HN) 1.8 0.0 0.9 {S}
assign (resid {N} 21 and name HN)(resid {L} 19 and name HN) 1.8 0.0 3.2 {W}

assign (resid {E} 20 and name HN)(resid {L} 19 and name HA) 1.8 0.0 1.7 {M}
assign (resid {E} 20 and name HN)((resid {H} 18 and name HA)
          or (resid {Y} 17 and name HA)) 1.8 0.0 3.2 {W}
assign (resid {E} 20 and name HN)(resid {H} 18 and name HN) 1.8 0.0 3.2 {W}
assign (resid {E} 20 and name HN)(resid {L} 19 and name HN) 1.8 0.0 0.9 {S}

assign (resid {L} 19 and name HN)(resid {H} 18 and name HA) 1.8 0.0 1.7 {M}
assign (resid {L} 19 and name HN)(resid {H} 18 and name HN) 1.8 0.0 3.2 {W}

assign (resid {H} 18 and name HN)(resid {Y} 17 and name HN) 1.8 0.0 3.2 {W}
!assign (resid {H} 18 and name HN)(resid {N} 16 and name HN) 1.8 0.0 3.2 {W}

assign (resid {Y} 17 and name HN)(resid {N} 16 and name HA) 1.8 0.0 3.2 {W}
!assign (resid {Y} 17 and name HN)(resid {N} 16 and name HN) 1.8 0.0 3.2 {W}

!*** A -> B i+3

assign (resid {N} 16 and name HA)(resid {L} 19 and name HB1) 1.8 0.0 3.2 {W}
assign (resid {N} 16 and name HA)(resid {L} 19 and name HB2) 1.8 0.0 3.2 {W}

assign (resid {Y} 17 and name HA)(resid {E} 20 and name HB#) 1.8 0.0 4.2 {w}

assign (resid {H} 18 and name HA)(resid {N} 21 and name HB#) 1.8 0.0 2.7 {M}

assign (resid {L} 19 and name HA)(resid {E} 22 and name HB#) 1.8 0.0 2.7 {M}
assign (resid {L} 19 and name HA)(resid {E} 22 and name HG#) 1.8 0.0 4.2 {W}

assign (resid {E} 20 and name HA)(resid {V} 23 and name HB)  1.8 0.0 1.7 {M}

assign (resid {N} 21 and name HA)(resid {A} 24 and name HB#) 1.8 0.0 3.2 {M}

assign (resid {E} 22 and name HA)(resid {R} 25 and name HB1) 1.8 0.0 1.7 {M}
assign (resid {E} 22 and name HA)(resid {R} 25 and name HB2) 1.8 0.0 1.7 {M}

assign (resid {V} 23 and name HA)((resid {L} 26 and name HB1)
          or (resid {L} 26 and name HB2)) 1.8 0.0 1.7 {M}

assign (resid {A} 24 and name HA)(resid {K} 27 and name HB1) 1.8 0.0 3.2 {W}
assign (resid {A} 24 and name HA)(resid {K} 27 and name HB2) 1.8 0.0 3.2 {W}

assign (resid {L} 26 and name HA)(resid {L} 29 and name HB#) 1.8 0.0 2.7 {M}

assign (resid {K} 27 and name HA)(resid {V} 30 and name HB)  1.8 0.0 3.2 {W}

!*** NH -> B


assign (resid {E} 20 and name HN)(resid {E} 20 and name HB#)  1.8 0.0 1.9 {S}
assign (resid {E} 20 and name HN)(resid {E} 20 and name HG#)  1.8 0.0 1.9 {S}
assign (resid {E} 20 and name HN)(resid {L} 19 and name HB1)  1.8 0.0 1.7 {M}
assign (resid {E} 20 and name HN)(resid {L} 19 and name HB2)  1.8 0.0 1.7 {M}
assign (resid {E} 20 and name HN)(resid {L} 19 and name HD*)  1.8 0.0 5.7 {W}

assign (resid {N} 21 and name HN)(resid {N} 21 and name HB#)  1.8 0.0 1.9 {S}
assign (resid {N} 21 and name HN)(resid {E} 20 and name HB#)  1.8 0.0 4.2 {W}
assign (resid {N} 21 and name HN)(resid {E} 20 and name HG#)  1.8 0.0 4.2 {W}
assign (resid {N} 21 and name HN)(resid {R} 25 and name HG#)  1.8 0.0 4.2 {W}

assign (resid {E} 22 and name HN)(resid {E} 22 and name HB#)  1.8 0.0 1.9 {S}
assign (resid {E} 22 and name HN)(resid {E} 22 and name HG#)  1.8 0.0 2.7 {M}
assign (resid {E} 22 and name HN)(resid {N} 21 and name HB#)  1.8 0.0 2.7 {M}
assign (resid {E} 22 and name HN)(resid {V} 23 and name HG*)  1.8 0.0 4.2 {W}

assign (resid {Y} 17 and name HN) ((resid {Y} 17 and name HD1) or
              (resid {Y} 17 and name HD2))   1.8 0.0 3.2 {W}
assign (resid {N} 21 and name HN)((resid {N} 21 and name HD21) 
    or (resid {N} 21 and name HD22)) 1.8 0.0 3.2 {W}

assign (resid {L} 29 and name HN)(resid {L} 29 and name HB#)  1.8 0.0 2.7 {M}
assign (resid {L} 29 and name HN)(resid {L} 29 and name HG)   1.8 0.0 1.7 {M}

assign (resid {A} 24 and name HN)(resid {V} 23 and name HB)  1.8 0.0 1.7 {M}
assign (resid {A} 24 and name HN)(resid {A} 24 and name HB#)  1.8 0.0 2.4 {S}
assign (resid {A} 24 and name HN)(resid {V} 23 and name HG1#)  1.8 0.0 4.2 {M}
assign (resid {A} 24 and name HN)(resid {V} 23 and name HG2#)  1.8 0.0 4.2 {M}
assign (resid {A} 24 and name HN)(resid {R} 25 and name HB#)  1.8 0.0 4.2 {W}

assign (resid {L} 19 and name HN)(resid {H} 18 and name HB1)  1.8 0.0 3.2 {W}
assign (resid {L} 19 and name HN)(resid {H} 18 and name HB2)  1.8 0.0 3.2 {W}

assign (resid {V} 30 and name HN)(resid {V} 30 and name HB)  1.8 0.0 1.7 {M}
assign (resid {V} 30 and name HN)(resid {L} 29 and name HB#)  1.8 0.0 4.2 {W}
assign (resid {V} 30 and name HN)(resid {L} 29 and name HG)  1.8 0.0 0.9 {S}
assign (resid {V} 30 and name HN)((resid {V} 30 and name HG1#) or 
    (resid {V} 30 and name HG2#))  1.8 0.0 3.2 {M}

assign (resid {L} 19 and name HN)(resid {L} 19 and name HB#)  1.8 0.0 4.2 {W}

assign (resid {v} 23 and name HN)(resid {V} 23 and name HB)  1.8 0.0 4.2 {S}
assign (resid {V} 23 and name HN)(resid {E} 22 and name HG#)  1.8 0.0 2.7 {M}
assign (resid {v} 23 and name HN)(resid {E} 22 and name HB#)  1.8 0.0 2.7 {M}
assign (resid {V} 23 and name HN)((resid {V} 23 and name HG1#) or
      (resid {V} 23 and name HG2#))  1.8 0.0 4.3 {S}

assign (resid {R} 25 and name HN)(resid {E} 22 and name HB#)  1.8 0.0 4.2 {W}
assign (resid {R} 25 and name HN)(resid {R} 25 and name HB2)  1.8 0.0 1.7 {M}
assign (resid {R} 25 and name HN)(resid {R} 25 and name HB1)  1.8 0.0 1.7 {M}
assign (resid {R} 25 and name HN)(resid {R} 25 and name HG2)  1.8 0.0 3.2 {W}
assign (resid {R} 25 and name HN)(resid {R} 25 and name HG1)  1.8 0.0 3.2 {W}
assign (resid {R} 25 and name HN)(resid {A} 24 and name HB#)  1.8 0.0 2.7 {M}

assign (resid {L} 26 and name HN)(resid {R} 25 and name HB1)  1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {R} 25 and name HB2)  1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {R} 25 and name HG2)  1.8 0.0 3.2 {W}
assign (resid {L} 26 and name HN)(resid {R} 25 and name HG1)  1.8 0.0 3.2 {W}
assign (resid {L} 26 and name HN)(resid {L} 26 and name HB1)  1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {L} 26 and name HB2)  1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {L} 26 and name HD1#)  1.8 0.0 4.7 {W}
assign (resid {L} 26 and name HN)(resid {L} 26 and name HD2#)  1.8 0.0 4.7 {W}

! Aromatics

assign (resid {H} 18 and name HE1)(resid {H} 18 and name HB#)  1.8 0.0 4.2 {W}
assign (resid {H} 18 and name HE1)(resid {L} 19 and name HD1#)  1.8 0.0 4.7 {W}
assign (resid {H} 18 and name HE1)(resid {L} 19 and name HD2#)  1.8 0.0 4.7 {W}
assign (resid {H} 18 and name HE1) ((resid {Y} 17 and name HE1) or
              (resid {Y} 17 and name HE2))   1.8 0.0 3.2 {W}
assign (resid {H} 18 and name HE1) ((resid {Y} 17 and name HD1) or
              (resid {Y} 17 and name HD2))   1.8 0.0 3.2 {W}

assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {Y} 17 and name HB1) 1.8 0.0 1.7 {M}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {Y} 17 and name HB2) 1.8 0.0 1.7 {M}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {L} 19 and name HD1#) 1.8 0.0 4.7 {W}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {L} 19 and name HD2#) 1.8 0.0 4.7 {W}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {Y} 17 and name HA)  1.8 0.0 1.7 {m}

assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2))  (resid {Y} 17 and name HA)  1.8 0.0 4.2 {W}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2))  (resid {Y} 17 and name HB1)  1.8 0.0 4.2 {W}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2))  (resid {Y} 17 and name HB2)  1.8 0.0 4.2 {W}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2)) (resid {L} 19 and name HD1#)  1.8 0.0 4.2 {W}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2)) (resid {L} 19 and name HD2#)  1.8 0.0 4.2 {W}

assign (resid {H} 18 and name HD2)(resid {H} 18 and name HB#)  1.8 0.0 1.9 {S}
assign (resid {H} 18 and name HD2)(resid {L} 19 and name HD1#)  1.8 0.0 4.7 {W}
assign (resid {H} 18 and name HD2)(resid {L} 19 and name HD2#)  1.8 0.0 4.7 {W}
assign (resid {H} 18 and name HD2)(resid {H} 18 and name HA)  1.8 0.0 1.7 {M}


assign (resid {H} 18 and name HD2) (resid {E} 20 and name HB#)  1.8 0.0  4.7 {vw}
assign (resid {H} 18 and name HD2) ((resid {E} 20 and name HG#) or 
        (resid {E} 22 and name HG#)) 1.8 0.0  4.2 {W}

assign (resid {E} 20 and name HB#) ((resid {H} 18 and name HB1) or 
       (resid {H} 18 and name HB2))  1.8 0.0 5.2 {vvw}

assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {E} 20 and name HB#)  1.8 0.0  5.2 {vvW}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2))  (resid {E} 22 and name HB#)  1.8 0.0 4.7 {vW}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) ((resid {E} 20 and name HG#) or 
        (resid {E} 22 and name HG#)) 1.8 0.0  4.2 {W}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2)) ((resid {E} 20 and name HG#) or 
        (resid {E} 22 and name HG#)) 1.8 0.0  4.2 {W}

!******
! R25 and E22
!*******

assign (resid {E} 22 and name HG#)(resid {R} 25 and name HD1)  1.8 0.0 2.7 {m}
assign (resid {E} 22 and name HG#)(resid {R} 25 and name HD2)  1.8 0.0 2.7 {m}
assign (resid {E} 20 and name HG#)((resid {R} 25 and name HD1) 
    or (resid {R} 25 and name HD2))  1.8 0.0 4.2 {W}

assign (resid {R} 25 and name HD1)(resid {N} 21 and name HB#)  1.8 0.0 4.2 {W}
assign (resid {R} 25 and name HD1)(resid {R} 25 and name HA)  1.8 0.0 3.2 {W}
assign (resid {R} 25 and name HD1)(resid {E} 22 and name HA)  1.8 0.0 3.2 {W}
assign (resid {R} 25 and name HD2)(resid {N} 21 and name HB#)  1.8 0.0 4.2 {W}
assign (resid {R} 25 and name HD2)(resid {R} 25 and name HA)  1.8 0.0 3.2 {W}
assign (resid {R} 25 and name HD2)(resid {E} 22 and name HA)  1.8 0.0 1.7 {M}

!*****
!*****
! Last additions by Andrei 7.5.06
!********
!*****

!*****
! Done R25, E20, E22
!********
assign (resid {L} 26 and name HD1#) ((resid {R} 25 and name HB1) or 
       (resid {R} 25 and name HB2))  1.8 0.0 3.2 {w}
assign (resid {L} 26 and name HD2#) ((resid {R} 25 and name HB1) or 
       (resid {R} 25 and name HB2))  1.8 0.0 3.2 {w}

assign (resid {E} 22 and name HA) ((resid {R} 25 and name HG1) or 
       (resid {R} 25 and name HG2))  1.8 0.0 1.7 {m}
assign (resid {E} 22 and name HG#) ((resid {L} 19 and name HB1) or 
       (resid {L} 19 and name HB2))  1.8 0.0 4.2 {w}
assign (resid {E} 22 and name HG#) ((resid {V} 23 and name HG1#) or 
       (resid {V} 23 and name HG2#))  1.8 0.0 5.7 {w}
assign (resid {E} 22 and name HG#) ((resid {L} 19 and name HD1#) or 
       (resid {L} 19 and name HD2#))  1.8 0.0 4.2 {m}
assign (resid {E} 22 and name HB#) ((resid {L} 19 and name HB1) or 
       (resid {L} 19 and name HB2))  1.8 0.0 4.2 {wvw}
assign (resid {E} 22 and name HB#) ((resid {L} 26 and name HB1) or 
       (resid {L} 26 and name HB2))  1.8 0.0 4.2 {wvw}
assign (resid {E} 22 and name HB#) ((resid {R} 25 and name HD1) or 
       (resid {R} 25 and name HD2))  1.8 0.0 4.2 {w}
assign (resid {E} 22 and name HB#) (resid {L} 19 and name HA)  1.8 0.0 2.7 {m}


!*****
! Done N21, H18, Y17, N16
!********

assign (resid {A} 24 and name HB#) (resid {N} 21 and name HB#)  1.8 0.0 5.2 {w}
assign (resid {N} 21 and name HA) (resid {E} 20 and name HB#)  1.8 0.0 4.2 {w}
assign (resid {N} 21 and name HA) (resid {E} 20 and name HG#)  1.8 0.0 4.2 {w}

assign (resid {H} 18 and name HA) (resid {L} 19 and name HB1)  1.8 0.0 3.7 {wvw}
assign (resid {H} 18 and name HA) (resid {L} 19 and name HB2)  1.8 0.0 3.7 {wvw}

assign (resid {Y} 17 and name HA) (resid {E} 20 and name HG#)  1.8 0.0 4.2 {w}
assign ((resid {Y} 17 and name HB1) or 
        (resid {Y} 17 and name HB2))    ((resid {L} 19 and name HD1#) or
      (resid {L} 19 and name HD2#))  1.8 0.0 3.2 {m}
assign ((resid {Y} 17 and name HB1) or 
        (resid {Y} 17 and name HB2))    ((resid {L} 19 and name HB1) or
     (resid {L} 19 and name HB2))  1.8 0.0 1.7 {m}

assign (resid {N} 16 and name HA)  ((resid {L} 19 and name HD1#) or
     (resid {L} 19 and name HD2#))  1.8 0.0 4.7 {w}

!*****
! Done V23, V30
!********

assign (resid {V} 23 and name HA)  ((resid {L} 26 and name HB1) or
     (resid {L} 26 and name HB2))  1.8 0.0 3.2 {w}
assign (resid {V} 23 and name HA)  (resid {L} 26 and name HG)   1.8 0.0 3.2 {w}
assign (resid {V} 23 and name HA)  (resid {E} 22 and name HG#)  1.8 0.0 4.2 {wvw}
assign ((resid {V} 23 and name HG1#) or 
        (resid {V} 23 and name HG2#))   (resid {E} 22 and name HG#)  1.8 0.0 5.7 {w}
assign ((resid {V} 23 and name HG1#) or 
        (resid {V} 23 and name HG2#))   (resid {E} 20 and name HA)  1.8 0.0 4.7 {w}


!*****
! New NOE's Sept 22.06
!********

assign (resid {H} 18 and name HD2)  (resid {L} 19 and name HA) 1.8 0.0 3.2 {w}
assign (resid {H} 18 and name HD2)  ((resid {L} 19 and name HB1) or
     (resid {L} 19 and name HB2))  1.8 0.0 3.2 {W}

assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2))  (resid {L} 19 and name HA) 1.8 0.0  3.2 {w}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {L} 19 and name HB1)  1.8 0.0 3.2 {w}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {L} 19 and name HB2)  1.8 0.0 3.2 {w}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2))  ((resid {L} 19 and name HB1) or
          (resid {L} 19 and name HB2))  1.8 0.0 3.2 {w}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2))  (resid {L} 19 and name HA) 1.8 0.0  3.2 {w}




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image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	497586	2l56	cing	1-original	2	XPLOR/CNS	distance	NOE	ambi