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	subtype	subsubtype
	518303	2lag R C	16677	cing	1-original	3	XPLOR/CNS	distance	NOE	ambi
!!!!! NOE's list from ddnoe_061210_new_sep_lp_unass.xpk
!!!!aromatic aliphatic region

! peak 0 
assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and (name HD2*)) 3.722 1.922 1.12

! peak 1 
assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and (name HD1*)) 3.621 1.821 1.09

! peak 2
assign (resid 100 and segid A and name HD1) (resid 15 and segid B and name HD1*) 3.706 1.906 2.30

! peak 46 - give 50% upper bound
assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and (name HD1*)) 3.468 1.668 1.73
assign (resid 100 and segid A and name HE3) (resid 15 and segid B and name HD1*) 3.468 1.668 1.73

! peak 47 - give 50% upper bound
assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and (name HD2*)) 3.887 2.087 1.94
assign (resid 100 and segid A and name HE3) (resid 15 and segid B and name HD2*) 3.887 2.087 1.94

! peak 16
assign (resid 76 and segid A and name HD2) (resid 153 and segid B and name HD1*) 3.551 1.751 1.06

! peak 43
assign (resid 76 and segid A and name HD2) (resid 153 and segid B and name HD2*) 2.922 1.122 0.88

! peak 3
assign (resid 76 and segid A and name HE1) (resid 153 and segid B and name HD2*) 3.925 2.125 1.18

! peak 49
assign (resid 76 and segid A and name HE1) (resid 153 and segid B and name HD1*) 4.840 3.04 1.45

! peak 50
assign (resid 76 and segid A and name HE1) (resid 15 and segid B and name HD1*) 4.623 2.823 1.39

! peak 15
assign (resid 27 and segid B and name HD*) (resid 82 and segid A and name HG1*) 2.940 1.14 0.88

! peak 14 - give 50% upper bound
assign (resid 27 and segid B and name HD*) (resid 80 and segid A and name HG1*) 3.407 1.607 1.70
assign (resid 27 and segid B and name HD*) (resid 52 and segid A and name HD1*) 3.407 1.607 1.70

! peak 18 - give 50% upper bound
assign (resid 27 and segid B and name HD*) (resid 80 and segid A and name HG2*) 2.792 0.992 1.40
assign (resid 27 and segid B and name HD*) (resid 52 and segid A and name HD2*) 2.792 0.992 1.40

! peak 17
assign (resid 27 and segid B and name HD*) (resid 44 and segid A and name HG2*) 3.460 1.66 1.04

! peak 10 - give 50% upper bound
assign (resid 27 and segid B and name HE*) (resid 82 and segid A and name HG1*) 2.768 0.968 1.38
assign (resid 27 and segid B and name HZ) (resid 82 and segid A and name HG1*) 2.768 0.968 1.38

! peak 9 - give 50% upper bound
assign (resid 27 and segid B and name HE*) (resid 80 and segid A and name HG1*) 3.105 1.305 1.55
assign (resid 27 and segid B and name HE*) (resid 52 and segid A and name HD1*) 3.105 1.305 1.55
assign (resid 27 and segid B and name HZ) (resid 80 and segid A and name HG1*) 3.105 1.305 1.55
assign (resid 27 and segid B and name HZ) (resid 52 and segid A and name HD1*) 3.105 1.305 1.55

! peak 8 - give 50% upper bound
assign (resid 27 and segid B and name HE*) (resid 82 and segid A and name HG2*) 3.614 1.814 1.81
assign (resid 27 and segid B and name HZ) (resid 82 and segid A and name HG2*) 3.614 1.814 1.81

! peak 7 - give 50% upper bound
assign (resid 27 and segid B and name HE*) (resid 80 and segid A and name HG2*) 2.737 0.937 1.37
assign (resid 27 and segid B and name HE*) (resid 52 and segid A and name HD2*) 2.737 0.937 1.37
assign (resid 27 and segid B and name HZ) (resid 80 and segid A and name HG2*) 2.737 0.937 1.37
assign (resid 27 and segid B and name HZ) (resid 52 and segid A and name HD2*) 2.737 0.937 1.37

! peak 4
assign (resid 27 and segid B and name HZ) (resid 44 and segid A and name HG2*) 3.968 2.168 1.20

! peak 11
assign (resid 27 and segid B and name HE*) (resid 44 and segid A and name HG2*) 3.602 1.802 1.08

!!!!!!!aromatic HB/HA region

!peak 24
assign (resid 76 and segid A and name HE1) (resid 11 and segid B and name HB*) 3.541 1.741 1.06

!peak 25
assign (resid 76 and segid A and name HE1) (resid 11 and segid B and name HB*) 4.052 2.252 1.22

!peak 67
assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and name HB*) 4.525 2.725 1.36

!peak 29
assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 152 and segid B and name HB*) 3.940 2.14 1.18

!peak 31
assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and name HA) 4.158 2.358 1.25

!peak 129
assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 152 and segid B and name HA) 4.478 2.678 1.34

!peak 45 - give 50% upper bound
assign (resid 27 and segid B and name HZ) (resid 82 and segid A and name HB) 3.876 2.076 1.94
assign (resid 27 and segid B and name HE*) (resid 82 and segid A and name HB) 3.876 2.076 1.94
assign (resid 27 and segid B and name HE*) (resid 52 and segid A and name HB*) 3.876 2.076 1.94

!peak 34 - give 50% upper bound
assign (resid 27 and segid B and name HZ) (resid 80 and segid A and name HB) 4.235 2.435 2.12
assign (resid 27 and segid B and name HE*) (resid 80 and segid A and name HB) 4.235 2.435 2.12

!peak 54
assign (resid 27 and segid B and name HE*) (resid 96 and segid A and name HB*) 4.494 2.694 1.35

!peak 28 - give 50% upper bound
assign (resid 27 and segid B and name HE*) (resid 96 and segid A and name HB*) 4.186 2.386 2.09
assign (resid 27 and segid B and name HZ) (resid 96 and segid A and name HB*) 4.186 2.386 2.09

!peak 64
assign (resid 27 and segid B and name HE*) (resid 96 and segid A and name HA) 4.542 2.742 1.36

!peak 40
assign (resid 76 and segid A and name HD2) (resid 153 and segid B and (name HG or name HB1 or name HB2)) 3.793 1.993 1.14

!peak 41
assign (resid 27 and segid B and name HD*) (resid 82 and segid A and name HB) 4.385 2.585 1.31

!peak 42
assign (resid 76 and segid A and name HD2) (resid 159 and segid B and name HB*) 4.304 2.504 1.29

!peak 26
assign (resid 27 and segid B and name HD*) (resid 96 and segid A and name HB*) 3.745 1.945 1.12

!peak 27
assign (resid 27 and segid B and name HD*) (resid 96 and segid A and name HB*) 3.819 2.019 1.14

!peak 55
assign (resid 27 and segid B and name HD*) (resid 97 and segid A and name HA) 4.527 2.727 1.36

!peak 63
assign (resid 27 and segid B and name HD*) (resid 96 and segid A and name HA) 4.279 2.479 1.28

!peak 38 - give 50% upper bound
assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and name HB*) 3.863 2.063 1.93
assign (resid 100 and segid A and name HE3) (resid 15 and segid B and name HB*) 3.863 2.063 1.93

!peak 39 - give 50% upper bound
assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and name HB*) 4.353 2.553 2.18
assign (resid 100 and segid A and name HE3) (resid 15 and segid B and name HB*) 4.353 2.553 2.18

!peak 36 - give 50% upper bound
assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 148 and segid B and (name HB* or name HE*)) 4.114 2.314 2.06
assign (resid 100 and segid A and name HE3) (resid 148 and segid B and (name HB* or name HE*)) 4.114 2.314 2.06

!peak 37 - give 50% upper bound
assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 148 and segid B and (name HB* or name HE*)) 4.535 2.735 2.27
assign (resid 100 and segid A and name HE3) (resid 148 and segid B and (name HB* or name HE*)) 4.535 2.735 2.27

!peak 35
assign (resid 100 and segid A and name HE3) (resid 152 and segid B and name HB*) 4.243 2.443 1.27

!peak 33 - give 50% upper bound
assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and name HA) 3.793 1.993 2.21
assign (resid 100 and segid A and name HE3) (resid 15 and segid B and name HA) 3.793 1.993 2.21

!!!!!!!HA(left of diagonal)-aliphatic region

!peak 58
assign (resid 27 and segid B and name HB*) (resid 96 and segid A and name HA) 4.580 2.78 1.37

!peak 59
assign (resid 27 and segid B and name HB*) (resid 96 and segid A and name HA) 4.607 2.807 1.38

!!!!!!!aliphatic-aliphatic region (upper right quadrant) - only peaks above the diagonal are included, except in cases in which the other peak in of better shape

!peak 69
assign (resid 153 and segid B and name HD2*) (resid 76 and segid A and name HB*) 3.796 1.996 1.14

!peak 68
assign (resid 153 and segid B and name HD2*) (resid 76 and segid A and name HB*) 3.762 1.962 1.13

!peak 102
assign (resid 153 and segid B and name HD2*) (resid 74 and segid A and name HB*) 4.330 2.53 1.30

!peak 122 (instead of 123)
assign (resid 30 and segid B and name HD*) (resid 52 and segid A and name HD2*) 3.345 1.545 1.00

!peak 72
assign (resid 30 and segid B and name HD*) (resid 44 and segid A and name HG2*) 3.070 1.27 0.92

!peak 73
assign (resid 26 and segid B and name HD*) (resid 48 and segid A and name HG*) 2.868 1.068 2.130

!peak 76 - give 50% upper bound
assign (resid 26 and segid B and name HD*) ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) 3.041 1.241 1.52

!peak 84
assign (resid 26 and segid B and name HD*) ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) 3.105 1.305 0.93

!peak 87
assign (resid 26 and segid B and name HD*) ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) 2.578 0.778 0.77

!peak 96
assign (resid 26 and segid B and name HD*) (resid 46 and segid A and name HG*) 3.182 1.382 0.95

!peak 97
assign (resid 26 and segid B and name HD*) (resid 46 and segid A and name HG*) 3.447 1.647 1.03

!peak 94
assign (resid 26 and segid B and name HD*) (resid 46 and segid A and name HG*) 3.507 1.707 1.05

!peak 95
assign (resid 26 and segid B and name HD*) (resid 46 and segid A and name HG*) 3.546 1.746 1.06

!peak 108 
assign (resid 26 and segid B and name HD*) (resid 49 and segid A and name HD*) 3.497 1.697 1.05

!peak 109
assign (resid 26 and segid B and name HD*) ((resid 46 and segid A and name HA) or (resid 49 and segid A and name HD*)) 2.834 1.034 0.85

!peak 110
assign (resid 26 and segid B and name HD*) ((resid 46 and segid A and name HA) or (resid 49 and segid A and name HD*)) 3.200 1.4 0.96

!peak 98
assign (resid 80 and segid A and name HG2*) (resid 27 and segid B and name HB*) 3.832 2.032 1.15

!peak 101
assign (resid 80 and segid A and name HG2*) (resid 27 and segid B and name HB*) 3.885 2.085 1.16

!peak 128
assign (resid 80 and segid A and name HG2*) (resid 27 and segid B and name HA) 3.995 2.195 1.20

!peak 127
assign (resid 80 and segid A and name HG2*) (resid 25 and segid B and name HB*) 3.939 2.139 1.18

!peak 125 (instead of 124)
assign (resid 80 and segid A and name HG2*) (resid 25 and segid B and name HB*) 3.662 1.862 1.10

!peak 76 - give 50% upper bound
assign ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) ((resid 30 and segid B and name HD*) or (resid 142 and segid B and name HG*)) 3.041 1.241 1.52

!peak 77
assign ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) (resid 142 and segid B and name HG*) 2.845 1.045 0.85

!peak 83 (instead of 82)
assign ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) (resid 145 and segid B and name HB*) 3.467 1.667 1.04

!peak 105
assign ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) ((resid 22 and segid B and name HD*) or (resid 33 and segid B and name HD*)) 3.297 1.497 1.00

!peak 106
assign ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) ((resid 145 and segid B and name HA) or (resid 27 and segid B and name HA) or (resid 30 and segid B and name HA)) 3.841 2.041 1.15

!peak 120
assign (resid 76 and segid A and name HB*) ((resid 153 and segid B and name HA) or (resid 149 and segid B and name HA)) 4.429 2.629 1.33

!peak 114
assign ((resid 50 and segid A and name HA) or (resid 159 and segid A and name HG*)) ((resid 6 and segid B and name HA) or (resid 30 and segid B and (name HB* or name HG))) 3.344 1.544 1.00

!peak 116
assign (resid 49 and segid A and name HA) (resid 33 and segid B and (name HB* or name HG*)) 3.601 1.801 1.08

!peak 118
assign ((resid 46 and segid A and name HA) or (resid 134 and segid A and name HA)) ((resid 161 and segid B and (name HB* or name HG)) or (resid 26 and segid B and (name HB* or name HG))) 3.475 1.675 1.04