NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_dress stage position program type subtype subsubtype
3980 1eig 4590 cing dress 1-original 1 XPLOR/CNS distance NOE simple


!c13_intra_1014.tbl
assign (resid 1 and name HA) (resid 1 and name HB) 3.3 1.5 0.0
assign (resid 1 and name HA) (resid 1 and name HG**) 5.0 3.2 2.5
assign (resid 2 and name HA) (resid 2 and name HB) 2.7 0.9 0.0
assign (resid 3 and name HA) (resid 3 and name HB) 2.7 0.9 0.0
assign (resid 3 and name HA) (resid 3 and name HD#) 3.3 1.5 1.5
assign (resid 3 and name HA) (resid 3 and name HG1*) 3.3 1.5 1.0
assign (resid 3 and name HA) (resid 3 and name HG2#) 2.7 0.9 1.5
!assign (resid 3 and name HG1*) (resid 3 and name HB) 2.7 0.9 1.0
assign (resid 3 and name HG1*) (resid 3 and name HD#) 2.7 0.9 2.5
assign (resid 4 and name HD*) (resid 4 and name HB*) 3.3 1.5 2.0
assign (resid 6 and name HA) (resid 6 and name HB*) 2.7 0.9 1.0
assign (resid 6 and name HA) (resid 6 and name HG*) 2.7 0.9 1.0
assign (resid 7 and name HA) (resid 7 and name HB*) 2.7 0.9 1.0
assign (resid 8 and name HB*) (resid 8 and name HA) 3.3 1.5 1.0
!assign (resid 10 and name HA) (resid 10 and name HB*) 2.7 0.9 1.0
assign (resid 11 and name HA) (resid 11 and name HB*) 2.7 0.9 1.0
assign (resid 12 and name HA) (resid 12 and name HB) 2.7 0.9 0.0
assign (resid 12 and name HA) (resid 12 and name HG**) 2.7 0.9 2.5
assign (resid 12 and name HG1#) (resid 12 and name HA) 3.3 1.5 1.5
assign (resid 12 and name HG1#) (resid 12 and name HB) 2.7 0.9 1.5
assign (resid 13 and name HA) (resid 13 and name HB*) 2.7 0.9 1.0
assign (resid 14 and name HG*) (resid 14 and name HB*) 2.7 0.9 2.0
assign (resid 14 and name HG*) (resid 14 and name HE*) 2.7 0.9 2.0
!loosen to M 10/21 back to S and remove stereo 10/28
!assign (resid 15 and name HA) (resid 15 and name HB1) 3.3 1.5 0.0
assign (resid 15 and name HA) (resid 15 and name HB*) 2.7 0.9 1.0
assign (resid 15 and name HA) (resid 15 and name HG*) 2.7 0.9 1.0
!rem stereo 10/28
!assign (resid 15 and name HB1) (resid 15 and name HD*) 3.3 1.5 1.0
!assign (resid 15 and name HB1) (resid 15 and name HG*) 2.7 0.9 1.0
assign (resid 15 and name HB*) (resid 15 and name HD*) 3.3 1.5 2.0
assign (resid 15 and name HB*) (resid 15 and name HG*) 2.7 0.9 2.0
assign (resid 15 and name HG*) (resid 15 and name HD*) 2.7 0.9 2.0
assign (resid 16 and name HB) (resid 16 and name HA) 3.3 1.5 0.0
assign (resid 16 and name HG1*) (resid 16 and name HB) 2.7 0.9 1.0
assign (resid 16 and name HG1*) (resid 16 and name HD#) 2.7 0.9 2.5
assign (resid 17 and name HA) (resid 17 and name HB*) 2.7 0.9 1.0
assign (resid 17 and name HA) (resid 17 and name HD*) 3.3 1.5 1.0
assign (resid 17 and name HA) (resid 17 and name HG*) 2.7 0.9 1.0
assign (resid 17 and name HD*) (resid 17 and name HB*) 3.3 1.5 2.0
assign (resid 18 and name HA) (resid 18 and name HG*) 2.7 0.9 1.0
assign (resid 19 and name HA) (resid 19 and name HB*) 2.7 0.9 1.0
!loosen to M 10/21
assign (resid 21 and name HA) (resid 21 and name HB) 3.3 1.5 0.0
assign (resid 21 and name HA) (resid 21 and name HG2#) 2.7 0.9 1.5
assign (resid 21 and name HA) (resid 21 and name HG1#) 2.7 0.9 1.5
assign (resid 21 and name HB) (resid 21 and name HG2#) 2.7 0.9 1.5
assign (resid 21 and name HB) (resid 21 and name HG1#) 2.7 0.9 1.5
assign (resid 22 and name HA) (resid 22 and name HB) 2.7 0.9 0.0
assign (resid 22 and name HA) (resid 22 and name HG2#) 2.7 0.9 1.5
assign (resid 22 and name HA) (resid 22 and name HG1#) 2.7 0.9 1.5
assign (resid 22 and name HB) (resid 22 and name HG2#) 2.7 0.9 1.5
assign (resid 22 and name HB) (resid 22 and name HG1#) 2.7 0.9 1.5
assign (resid 23 and name HA) (resid 23 and name HB*) 2.7 0.9 1.0
!assign (resid 24 and name HA) (resid 24 and name HB*) 2.7 0.9 1.0
assign (resid 26 and name HD2#) (resid 26 and name HB*) 2.7 0.9 2.5
assign (resid 26 and name HD1#) (resid 26 and name HB*) 2.7 0.9 2.5
assign (resid 27 and name HA) (resid 27 and name HB*) 2.7 0.9 1.0
assign (resid 28 and name HA) (resid 28 and name HB*) 2.7 0.9 1.0
!rem stereo 11/29
!assign (resid 29 and name HB2) (resid 29 and name HA) 3.3 1.5 0.0
assign (resid 29 and name HB*) (resid 29 and name HA) 3.3 1.5 1.0
!losened to M 11/29
assign (resid 29 and name HG*) (resid 29 and name HA) 3.3 1.5 1.0
assign (resid 30 and name HA) (resid 30 and name HB*) 2.7 0.9 1.0
assign (resid 31 and name HA) (resid 31 and name HG2#) 2.7 0.9 1.5
assign (resid 32 and name HA) (resid 32 and name HB*) 2.7 0.9 1.0
!changed from HG* to HD** 10/26
assign (resid 33 and name HB*) (resid 33 and name HD**) 2.7 0.9 3.5
assign (resid 34 and name HE*) (resid 34 and name HG*) 2.7 0.9 2.0
assign (resid 34 and name HG*) (resid 34 and name HB*) 2.7 0.9 2.0
!loosen to M 10/21
assign (resid 37 and name HA) (resid 37 and name HB) 3.3 1.5 0.0
assign (resid 37 and name HA) (resid 37 and name HG1#) 2.7 0.9 1.5
assign (resid 37 and name HA) (resid 37 and name HG2#) 2.7 0.9 1.5
assign (resid 37 and name HB) (resid 37 and name HG1#) 2.7 0.9 1.5
assign (resid 37 and name HB) (resid 37 and name HG2#) 2.7 0.9 1.5
assign (resid 37 and name HG2#) (resid 37 and name HG1#) 2.7 0.9 3.0
!loosen to M 10/21
assign (resid 38 and name HA) (resid 38 and name HB) 3.3 1.5 0.0
assign (resid 38 and name HA) (resid 38 and name HG1*) 2.7 0.9 1.0
assign (resid 38 and name HB) (resid 38 and name HG1*) 2.7 0.9 1.0
!assign (resid 39 and name HA) (resid 39 and name HB*) 2.7 0.9 1.0
!assign (resid 39 and name HB*) (resid 39 and name HD) 2.7 0.9 1.0
assign (resid 40 and name HA) (resid 40 and name HB) 3.3 1.5 0.0
assign (resid 40 and name HA) (resid 40 and name HG2#) 2.7 0.9 1.5
assign (resid 40 and name HB) (resid 40 and name HG2#) 2.7 0.9 1.5
assign (resid 41 and name HA) (resid 41 and name HB) 3.3 1.5 0.0
assign (resid 41 and name HA) (resid 41 and name HG2#) 2.7 0.9 1.5
assign (resid 41 and name HG2#) (resid 41 and name HB) 5.0 3.2 1.5
assign (resid 42 and name HA) (resid 42 and name HB*) 2.7 0.9 1.0
assign (resid 42 and name HA) (resid 42 and name HG*) 2.7 0.9 1.0
assign (resid 42 and name HB*) (resid 42 and name HE*) 2.7 0.9 2.0
!removed stereo 10/21
assign (resid 43 and name HB*) (resid 43 and name HA) 2.7 0.9 1.0
assign (resid 43 and name HB*) (resid 43 and name HE*) 3.3 1.5 2.0
!assign (resid 43 and name HB2) (resid 43 and name HA) 2.7 0.9 0.0
!assign (resid 43 and name HB2) (resid 43 and name HE*) 3.3 1.5 1.0
!assign (resid 43 and name HB1) (resid 43 and name HA) 2.7 0.9 0.0
!assign (resid 43 and name HB1) (resid 43 and name HE*) 5.0 3.2 1.0
assign (resid 45 and name HB*) (resid 45 and name HA) 5.0 3.2 1.0
assign (resid 46 and name HA) (resid 46 and name HB*) 2.7 0.9 1.0
assign (resid 46 and name HA) (resid 46 and name HG*) 2.7 0.9 1.0
assign (resid 47 and name HA) (resid 47 and name HB*) 2.7 0.9 1.0
assign (resid 48 and name HA) (resid 48 and name HB*) 2.7 0.9 1.0
assign (resid 50 and name HA) (resid 50 and name HB*) 2.7 0.9 1.0
!assign (resid 51 and name HB*) (resid 51 and name HA) 2.7 0.9 1.0
assign (resid 52 and name HA) (resid 52 and name HB*) 2.7 0.9 1.0
assign (resid 53 and name HA) (resid 53 and name HB*) 2.7 0.9 1.0
assign (resid 53 and name HA) (resid 53 and name HG*) 2.7 0.9 1.0
assign (resid 53 and name HB*) (resid 53 and name HG*) 2.7 0.9 2.0
assign (resid 54 and name HA) (resid 54 and name HB*) 2.7 0.9 1.0
assign (resid 54 and name HA) (resid 54 and name HG*) 2.7 0.9 1.0
assign (resid 54 and name HG*) (resid 54 and name HB*) 2.7 0.9 2.0
!assign (resid 55 and name HA) (resid 55 and name HB*) 2.7 0.9 1.0
!loosen to M 10/21
assign (resid 56 and name HA) (resid 56 and name HB) 3.3 1.5 0.0
assign (resid 56 and name HA) (resid 56 and name HG2#) 2.7 0.9 1.5
assign (resid 56 and name HA) (resid 56 and name HG1#) 2.7 0.9 1.5
assign (resid 56 and name HB) (resid 56 and name HG2#) 2.7 0.9 1.5
assign (resid 56 and name HB) (resid 56 and name HG1#) 2.7 0.9 1.5
assign (resid 56 and name HG2#) (resid 56 and name HG1#) 2.7 0.9 3.0
assign (resid 57 and name HA) (resid 57 and name HG*) 2.7 0.9 1.0
assign (resid 57 and name HB*) (resid 57 and name HA) 2.7 0.9 1.0
assign (resid 57 and name HB*) (resid 57 and name HG*) 2.7 0.9 2.0
assign (resid 58 and name HB*) (resid 58 and name HA) 2.7 0.9 1.0
assign (resid 58 and name HB*) (resid 58 and name HG*) 2.7 0.9 2.0
assign (resid 58 and name HG*) (resid 58 and name HA) 2.7 0.9 1.0
assign (resid 58 and name HG*) (resid 58 and name HD*) 2.7 0.9 2.0
!assign (resid 59 and name HA) (resid 59 and name HB2) 2.7 0.9 0.0
assign (resid 59 and name HA) (resid 59 and name HB*) 2.7 0.9 1.0
!assign (resid 60 and name HA) (resid 60 and name HB2) 2.7 0.9 0.0
!assign (resid 60 and name HA) (resid 60 and name HB1) 2.7 0.9 0.0
!assign (resid 60 and name HA) (resid 60 and name HB*) 2.7 0.9 1.0
assign (resid 60 and name HA) (resid 60 and name HG*) 2.7 0.9 1.0
!assign (resid 60 and name HB1) (resid 60 and name HB2) 2.7 0.9 0.0
!assign (resid 60 and name HB1) (resid 60 and name HG*) 2.7 0.9 1.0
!assign (resid 60 and name HG*) (resid 60 and name HB2) 2.7 0.9 1.0
!assign (resid 60 and name HG*) (resid 60 and name HB*) 2.7 0.9 2.0
assign (resid 61 and name HB*) (resid 61 and name HA) 2.7 0.9 1.0
assign (resid 61 and name HB*) (resid 61 and name HD*) 2.7 0.9 2.0
assign (resid 61 and name HB*) (resid 61 and name HG*) 2.7 0.9 2.0
assign (resid 62 and name HA) (resid 62 and name HB*) 2.7 0.9 1.0
assign (resid 63 and name HD2#) (resid 63 and name HA) 2.7 0.9 1.5
assign (resid 63 and name HD1#) (resid 63 and name HA) 3.3 1.5 1.5
assign (resid 63 and name HD1#) (resid 63 and name HD2#) 2.7 0.9 3.0
assign (resid 63 and name HG) (resid 63 and name HA) 2.7 0.9 0.0
assign (resid 63 and name HG) (resid 63 and name HD2#) 2.7 0.9 1.5
assign (resid 63 and name HG) (resid 63 and name HD1#) 2.7 0.9 1.5
assign (resid 64 and name HA) (resid 64 and name HB*) 2.7 0.9 1.0
assign (resid 65 and name HA) (resid 65 and name HB#) 2.7 0.9 1.5
assign (resid 66 and name HB#) (resid 66 and name HA) 2.7 0.9 1.5
assign (resid 67 and name HA) (resid 67 and name HB*) 2.7 0.9 1.0
assign (resid 67 and name HA) (resid 67 and name HG*) 2.7 0.9 1.0
assign (resid 67 and name HB*) (resid 67 and name HG*) 2.7 0.9 2.0
assign (resid 68 and name HG*) (resid 68 and name HA) 3.3 1.5 1.0
assign (resid 69 and name HG*) (resid 69 and name HA) 3.3 1.5 1.0
assign (resid 70 and name HA) (resid 70 and name HB#) 2.7 0.9 1.5
assign (resid 12 and name HB) (resid 12 and name HG**) 2.7 0.9 2.5
assign (resid 12 and name HG2#) (resid 12 and name HB) 2.7 0.9 1.5
assign (resid 18 and name HB*) (resid 18 and name HG*) 2.7 0.9 2.0
assign (resid 51 and name HA) (resid 51 and name HB*) 2.7 0.9 1.0
assign (resid 60 and name HA) (resid 60 and name HE#) 2.7 0.9 1.5
!assign (resid 60 and name HB*) (resid 60 and name HE#) 2.7 0.9 2.5
!assign (resid 60 and name HB2) (resid 60 and name HE#) 2.7 0.9 1.5
!assign (resid 60 and name HB1) (resid 60 and name HE#) 2.7 0.9 1.5
assign (resid 60 and name HG*) (resid 60 and name HE#) 5.0 3.2 2.5
assign (resid 9 and name HB*) (resid 9 and name HG*) 2.7 0.9 2.0
assign (resid 18 and name HA) (resid 18 and name HB*) 2.7 0.9 1.0
assign (resid 33 and name HA) (resid 33 and name HB*) 2.7 0.9 1.0
assign (resid 33 and name HA) (resid 33 and name HD**) 2.7 0.9 2.5
assign (resid 3 and name HD#) (resid 3 and name HG2#) 2.7 0.9 3.0
!assign (resid 3 and name HD#) (resid 3 and name HG1*) 2.7 0.9 2.5
!assign (resid 3 and name HG2#) (resid 3 and name HB) 2.7 0.9 1.5
!assign (resid 3 and name HG2#) (resid 3 and name HG1*) 2.7 0.9 2.5
assign (resid 15 and name HD*) (resid 15 and name HA) 3.3 1.5 1.0
assign (resid 16 and name HB) (resid 16 and name HD#) 2.7 0.9 1.5
assign (resid 16 and name HA) (resid 16 and name HG1*) 2.7 0.9 1.0
assign (resid 26 and name HA) (resid 26 and name HD2#) 2.7 0.9 1.5
!rem stereo 10/28
!assign (resid 63 and name HB2) (resid 63 and name HD2#) 2.7 0.9 1.5
!assign (resid 63 and name HB2) (resid 63 and name HD1#) 2.7 0.9 1.5
!assign (resid 63 and name HB2) (resid 63 and name HG) 2.7 0.9 0.0
!assign (resid 63 and name HB2) (resid 63 and name HA) 3.3 1.5 0.0
!assign (resid 63 and name HB1) (resid 63 and name HD2#) 2.7 0.9 1.5
!assign (resid 63 and name HB1) (resid 63 and name HD1#) 2.7 0.9 1.5
!assign (resid 63 and name HB1) (resid 63 and name HG) 3.3 1.5 0.0
!assign (resid 63 and name HB1) (resid 63 and name HB2) 2.7 0.9 0.0
!assign (resid 63 and name HB1) (resid 63 and name HA) 3.3 1.5 0.0
!assign (resid 63 and name HB*) (resid 63 and name HD2#) 2.7 0.9 2.5
!assign (resid 63 and name HB*) (resid 63 and name HD1#) 2.7 0.9 2.5
!assign (resid 63 and name HB*) (resid 63 and name HG) 2.7 0.9 1.0
!assign (resid 63 and name HB*) (resid 63 and name HA) 3.3 1.5 1.0
assign (resid 38 and name HD#) (resid 38 and name HG1*) 2.7 0.9 2.5
assign (resid 38 and name HD#) (resid 38 and name HB) 2.7 0.9 1.5
assign (resid 38 and name HD#) (resid 38 and name HA) 3.3 1.5 1.5
assign (resid 38 and name HG2#) (resid 38 and name HG1*) 2.7 0.9 2.5
assign (resid 38 and name HG2#) (resid 38 and name HB) 2.7 0.9 1.5
assign (resid 38 and name HG2#) (resid 38 and name HA) 3.3 1.5 1.5
!added stereo 12/13
!assign (resid 20 and name HB*) (resid 20 and name HA) 2.7 0.9 1.0
!assign (resid 20 and name HB*) (resid 20 and name HD*) 2.7 0.9 2.0
!assign (resid 20 and name HB*) (resid 20 and name HG*) 2.7 0.9 2.0
assign (resid 29 and name HD*) (resid 29 and name HG*) 2.7 0.9 2.0
!rem stereo 10/28
!assign (resid 29 and name HD*) (resid 29 and name HB2) 2.7 0.9 1.0
!assign (resid 29 and name HD*) (resid 29 and name HB1) 2.7 0.9 1.0
!loosen to M 11/29 rem 12/13 ol 20 b-d
!assign (resid 29 and name HD*) (resid 29 and name HB*) 3.3 1.5 2.0
!assign (resid 59 and name HB1) (resid 59 and name HA) 5.0 3.2 0.0
!assign (resid 59 and name HB1) (resid 59 and name HB2) 2.7 0.9 0.0
assign (resid 26 and name HA) (resid 26 and name HB*) 2.7 0.9 1.0
!c13_seq_1014.tbl
assign (resid 3 and name HA) (resid 4 and name HD*) 2.7 0.9 1.0
assign (resid 4 and name HD*) (resid 3 and name HG2#) 2.7 0.9 2.5
assign (resid 5 and name HA) (resid 6 and name HD*) 2.7 0.9 1.0
assign (resid 17 and name HD*) (resid 16 and name HA) 2.7 0.9 1.0
!assign (resid 17 and name HD*) (resid 16 and name HB) 5.0 3.2 1.0
!changed 11/09 from HD to HG2# based on 4d
assign (resid 17 and name HD*) (resid 16 and name HG2#) 2.7 0.9 2.5
!rem 10/19 dup
!assign (resid 18 and name HA) (resid 17 and name HA) 3.3 1.5 0.0
!rem 10/20
!assign (resid 18 and name HA) (resid 17 and name HD*) 2.7 0.9 1.0
assign (resid 23 and name HB*) (resid 22 and name HB) 3.3 1.5 1.0
!switched to M 10/22
assign (resid 23 and name HB*) (resid 22 and name HG2#) 3.3 1.5 2.5
!switched to M 10/26
assign (resid 23 and name HB*) (resid 22 and name HG1#) 3.3 1.5 2.5
assign (resid 30 and name HB*) (resid 31 and name HG2#) 3.3 1.5 2.5
!removed 11/05 back 11/08 rem again 11/22
!assign (resid 34 and name HG*) (resid 35 and name HA) 3.3 1.5 1.0
assign (resid 38 and name HA) (resid 37 and name HG1#) 5.0 3.2 1.5
assign (resid 40 and name HG2#) (resid 41 and name HA) 3.3 1.5 1.5
assign (resid 15 and name HA) (resid 16 and name HD#) 5.0 3.2 1.5
!rem 10/20 back 11/09 as W- looks W from spectra
assign (resid 17 and name HA) (resid 18 and name HA) 5.0 3.2 0.0
assign (resid 57 and name HA) (resid 56 and name HG1#) 3.3 1.5 1.5
assign (resid 3 and name HG2#) (resid 2 and name HA) 2.7 0.9 1.5
!changed from S to M 10/29
assign (resid 38 and name HD#) (resid 37 and name HG2#) 3.3 1.5 3.0
!c13_short_1014.tbl
assign (resid 21 and name HB) (resid 18 and name HA) 2.7 0.9 0.0
assign (resid 39 and name HA) (resid 37 and name HG1#) 5.0 3.2 1.5
assign (resid 44 and name HA*) (resid 40 and name HG2#) 2.7 0.9 2.5
assign (resid 53 and name HB*) (resid 56 and name HG2#) 2.7 0.9 2.5
assign (resid 54 and name HA) (resid 57 and name HB*) 2.7 0.9 0.0
assign (resid 55 and name HA) (resid 58 and name HB*) 2.7 0.9 1.0
!rem stereo 10/28
!assign (resid 56 and name HA) (resid 59 and name HB2) 2.7 0.9 0.0
!assign (resid 56 and name HA) (resid 59 and name HB1) 2.7 0.9 0.0
assign (resid 56 and name HA) (resid 59 and name HB*) 2.7 0.9 1.0
!rem stereo 10/28
!assign (resid 57 and name HA) (resid 60 and name HB2) 3.3 1.5 0.0
!assign (resid 57 and name HA) (resid 60 and name HB*) 3.3 1.5 1.0
assign (resid 59 and name HA) (resid 62 and name HB*) 2.7 0.9 1.0
!assign (resid 60 and name HB*) (resid 57 and name HA) 5.0 3.2 1.0
!assign (resid 60 and name HB1) (resid 57 and name HA) 5.0 3.2 0.0
assign (resid 62 and name HA) (resid 65 and name HB#) 2.7 0.9 1.5
!assign (resid 63 and name HD1#) (resid 60 and name HA) 5.0 3.2 1.5
!rem 11/02 do not see on 4d
!assign (resid 60 and name HE#) (resid 57 and name HA) 2.7 0.9 1.5
!removed 10/26 is 63d1 added 63 d1 10/26
!assign (resid 23 and name HA) (resid 21 and name HG1#) 2.7 0.9 1.5
!removed 10/26 is 63d1 added 63 d1 10/26
!assign (resid 24 and name HA) (resid 21 and name HG1#) 5.0 3.2 1.5
assign (resid 60 and name HE#) (resid 56 and name HG2#) 5.0 3.2 3.0
assign (resid 60 and name HE#) (resid 56 and name HG1#) 2.7 0.9 3.0
!removed 10/19 not sure I believe assignment back in 11/09 based on 4d
assign (resid 18 and name HA) (resid 21 and name HG2#) 2.7 0.9 1.5
assign (resid 53 and name HA) (resid 56 and name HG2#) 5.0 3.2 1.5
assign (resid 6 and name HD*) (resid 4 and name HD*) 2.7 0.9 2.0
assign (resid 12 and name HG**) (resid 16 and name HD#) 2.7 0.9 4.0
!loosened to M 12/08
assign (resid 55 and name HA) (resid 58 and name HG*) 3.3 1.5 1.0
assign (resid 55 and name HA) (resid 58 and name HD*) 2.7 0.9 1.0
!rem stereo 10/28
!assign (resid 63 and name HB2) (resid 60 and name HA) 3.3 1.5 0.0
!assign (resid 60 and name HA) (resid 63 and name HB1) 3.3 1.5 0.0
!assign (resid 60 and name HA) (resid 63 and name HB*) 3.3 1.5 1.0
assign (resid 61 and name HA) (resid 64 and name HB*) 2.7 0.9 1.0
assign (resid 65 and name HA) (resid 68 and name HB*) 5.0 3.2 1.0
!c13_long_1014.tbl
!set to W 10/19 from looking at spectrum
!rem 11/08 dont see on 4d
!assign (resid 21 and name HA) (resid 39 and name HA) 5.0 3.2 0.0
assign (resid 21 and name HA) (resid 41 and name HA) 2.7 0.9 0.0
assign (resid 24 and name HA) (resid 37 and name HG1#) 3.3 1.5 1.5
assign (resid 24 and name HA) (resid 39 and name HA) 2.7 0.9 0.0
!assign (resid 24 and name HB*) (resid 37 and name HG1#) 2.7 0.9 2.5
assign (resid 26 and name HA) (resid 37 and name HA) 2.7 0.9 0.0
assign (resid 26 and name HD2#) (resid 37 and name HG1#) 3.3 1.5 3.0
assign (resid 26 and name HD2#) (resid 37 and name HG2#) 2.7 0.9 3.0
assign (resid 37 and name HB) (resid 56 and name HG2#) 3.3 1.5 1.5
assign (resid 37 and name HB) (resid 56 and name HG1#) 2.7 0.9 1.5
assign (resid 39 and name HA) (resid 21 and name HG1#) 3.3 1.5 1.5
!assign (resid 39 and name HA) (resid 24 and name HB*) 2.7 0.9 1.0
assign (resid 40 and name HB) (resid 22 and name HG2#) 2.7 0.9 1.5
assign (resid 40 and name HB) (resid 22 and name HG1#) 5.0 3.2 1.5
assign (resid 40 and name HG2#) (resid 22 and name HG2#) 2.7 0.9 3.0
assign (resid 40 and name HG2#) (resid 46 and name HA) 3.3 1.5 1.5
assign (resid 41 and name HG2#) (resid 45 and name HB*) 2.7 0.9 2.5
assign (resid 42 and name HA) (resid 22 and name HG2#) 2.7 0.9 1.5
assign (resid 42 and name HA) (resid 22 and name HG1#) 2.7 0.9 1.5
assign (resid 46 and name HA) (resid 40 and name HA) 2.7 0.9 0.0
assign (resid 48 and name HA) (resid 38 and name HA) 2.7 0.9 0.0
assign (resid 49 and name HA*) (resid 56 and name HG2#) 2.7 0.9 2.5
assign (resid 49 and name HA*) (resid 56 and name HG1#) 5.0 3.2 2.5
!assign (resid 56 and name HB) (resid 51 and name HA) 2.7 0.9 0.0
!assign (resid 60 and name HG*) (resid 37 and name HG1#) 5.0 3.2 2.5
assign (resid 12 and name HG1#) (resid 47 and name HB*) 2.7 0.9 2.5
assign (resid 47 and name HB*) (resid 16 and name HD#) 2.7 0.9 2.5
!changed to M 10/22 
assign (resid 41 and name HA) (resid 22 and name HG2#) 3.3 1.5 1.5
!changed to M 10/22 
assign (resid 41 and name HA) (resid 22 and name HG1#) 3.3 1.5 1.5
assign (resid 51 and name HA) (resid 37 and name HG2#) 2.7 0.9 1.5
assign (resid 51 and name HA) (resid 56 and name HG2#) 3.3 1.5 1.5
assign (resid 51 and name HA) (resid 56 and name HG1#) 2.7 0.9 1.5
assign (resid 60 and name HE#) (resid 37 and name HG1#) 3.3 1.5 3.0
assign (resid 60 and name HE#) (resid 37 and name HG2#) 2.7 0.9 3.0
assign (resid 37 and name HG1#) (resid 56 and name HG1#) 2.7 0.9 3.0
assign (resid 37 and name HG2#) (resid 26 and name HG) 2.7 0.9 1.5
assign (resid 37 and name HG2#) (resid 56 and name HG1#) 2.7 0.9 3.0
!changed to M 10/22 
assign (resid 41 and name HA) (resid 21 and name HG1#) 3.3 1.5 1.5
assign (resid 49 and name HA*) (resid 12 and name HG**) 2.7 0.9 3.5
assign (resid 51 and name HB*) (resid 37 and name HG2#) 2.7 0.9 2.5
!assign (resid 39 and name HB*) (resid 16 and name HD#) 2.7 0.9 2.5
!assign (resid 39 and name HB*) (resid 21 and name HG1#) 3.3 1.5 2.5
assign (resid 21 and name HA) (resid 41 and name HG2#) 2.7 0.9 1.5
assign (resid 46 and name HB*) (resid 38 and name HG2#) 2.7 0.9 2.5
assign (resid 48 and name HA) (resid 38 and name HG2#) 2.7 0.9 1.5
assign (resid 38 and name HD#) (resid 27 and name HB*) 2.7 0.9 2.5
!removed 11/05 back 11/08
assign (resid 28 and name HA) (resid 35 and name HB#) 3.3 1.5 1.5
assign (resid 51 and name HA) (resid 56 and name HB) 2.7 0.9 0.0
assign (resid 26 and name HA) (resid 37 and name HG1#) 5.0 3.2 1.5
assign (resid 26 and name HA) (resid 37 and name HG2#) 2.7 0.9 1.5
assign (resid 38 and name HD#) (resid 48 and name HA) 5.0 3.2 1.5
!assign (resid 48 and name HA) (resid 38 and name HG2#) 2.7 0.9 1.5
assign (resid 11 and name HA) (resid 48 and name HB*) 3.3 1.5 1.0
!c13_from4d_1014.tbl
!removed for now- was removed in original file 10/14
!assign (resid 22 and name HG2#) (resid 42 and name HG*) 2.7 0.9 2.5
assign (resid 23 and name HA) (resid 63 and name HD2#) 2.7 0.9 1.5
assign (resid 47 and name HA) (resid 12 and name HG1#) 3.3 1.5 1.5
assign (resid 58 and name HB*) (resid 58 and name HD*) 2.7 0.9 2.0
!assign (resid 67 and name HG*) (resid 67 and name HB*) 2.7 0.9 2.0
assign (resid 72 and name HA) (resid 72 and name HB*) 2.7 0.9 1.0
assign (resid 72 and name HA) (resid 72 and name HG*) 2.7 0.9 1.0
assign (resid 72 and name HD*) (resid 72 and name HG*) 2.7 0.9 2.0
!
!
!added from 3d nulls 10/21
assign (resid 2 and name HG**) (resid 2 and name HA) 2.7 0.9 2.5
assign (resid 3 and name HB) (resid 3 and name HG2#) 2.7 0.9 1.5
assign (resid 3 and name HB) (resid 3 and name HG1*) 2.7 0.9 1.0
!assign (resid 3 and name HG2#) (resid 3 and name HB) 2.7 0.9 1.5
assign (resid 3 and name HG2#) (resid 3 and name HG1*) 2.7 0.9 2.5
assign (resid 9 and name HG*) (resid 10 and name HD*) 3.3 1.5 2.0
assign (resid 13 and name HA) (resid 12 and name HG**) 5.0 3.2 2.5
assign (resid 13 and name HB*) (resid 12 and name HG**) 5.0 3.2 3.5
!loosened to M 10/29
assign (resid 14 and name HA) (resid 12 and name HG**) 3.3 1.5 2.5
assign (resid 14 and name HA) (resid 14 and name HB*) 2.7 0.9 2.5
!assign (resid 15 and name HA) (resid 55 and name HZ2) 3.3 1.5 0.0
assign (resid 15 and name HA) (resid 12 and name HG**) 5.0 3.2 2.5
!added from nulls 10/22
assign (resid 16 and name HB) (resid 17 and name HD*) 2.7 0.9 1.0
!is S looks W add in as M
assign (resid 16 and name HG1*) (resid 59 and name HE*) 3.3 1.5 2.0
assign (resid 18 and name HB*) (resid 59 and name HE*) 3.3 1.5 2.0
assign (resid 18 and name HG*) (resid 59 and name HE*) 3.3 1.5 2.0
!added stereo 12/13
!assign (resid 20 and name HB*) (resid 41 and name HG2#) 3.3 1.5 2.5
!is S looks M
!assign (resid 20 and name HB*) (resid 16 and name HG2#) 3.3 1.5 2.5
!added fr0m 3d and nulls 10/26
assign (resid 22 and name HA) (resid 21 and name HG1#) 3.3 1.5 1.5
assign (resid 23 and name HA) (resid 63 and name HD1#) 2.7 0.9 1.5
assign (resid 24 and name HA) (resid 63 and name HD1#) 5.0 3.2 1.5
assign (resid 25 and name HB*) (resid 25 and name HA) 2.7 0.9 1.0
assign (resid 31 and name HB) (resid 31 and name HG2#) 2.7 0.9 1.5
!removed 11/05 back 11/08
assign (resid 35 and name HA) (resid 35 and name HB#) 2.7 0.9 1.5
assign (resid 36 and name HA*) (resid 51 and name HD*) 2.7 0.9 2.0
assign (resid 36 and name HA*) (resid 51 and name HG*) 3.3 1.5 2.0
assign (resid 36 and name HA*) (resid 37 and name HG2#) 3.3 1.5 2.5
!added from 3d 10/29
assign (resid 37 and name HG1#) (resid 60 and name HG*) 3.3 1.5 2.5
assign (resid 39 and name HA) (resid 38 and name HG2#) 3.3 1.5 1.5
!added from 3d 10/31
assign (resid 7 and name HA) (resid 38 and name HD#) 3.3 1.5 1.5
assign (resid 8 and name HB*) (resid 38 and name HD#) 5.0 3.2 2.5
assign (resid 49 and name HA*) (resid 39 and name HE*) 3.3 1.5 2.0
!assign (resid 46 and name HB*) (resid 38 and name HG2#) 2.7 0.9 2.5
assign (resid 51 and name HG*) (resid 37 and name HG2#) 2.7 0.9 2.5
!removed 11/05 back 11/08
assign (resid 51 and name HG*) (resid 35 and name HB#) 3.3 1.5 2.5
assign (resid 52 and name HA) (resid 52 and name HG*) 2.7 0.9 1.0
!added 11/02
assign (resid 66 and name HA) (resid 66 and name HG*) 3.3 1.5 1.0
assign (resid 66 and name HA) (resid 66 and name HD*) 3.3 1.5 1.0
assign (resid 59 and name HA) (resid 63 and name HD1#) 5.0 3.2 1.5
assign (resid 59 and name HB*) (resid 63 and name HD1#) 5.0 3.2 2.5
assign (resid 60 and name HA) (resid 63 and name HD1#) 3.3 1.5 1.5
!added 11/08 changed from 51a to 28b 11/0- rem 11/10
! is 27B* from structure 11/18
assign (resid 7 and name HA) (resid 27 and name HB*) 3.3 1.5 1.0
!loosened to W 11/10
assign (resid 15 and name HA) (resid 14 and name HB*) 5.0 3.2 1.0
!loosened to M 11/10 removed 11/11
!assign (resid 5 and name HA) (resid 4 and name HG*) 3.3 1.5 1.0
!added back from removed list 11/09
assign (resid 37 and name HA) (resid 26 and name HD2#) 2.7 0.9 0.5
assign (resid 27 and name HA) (resid 38 and name HD#) 5.0 3.2 0.5
!added 11/10
assign (resid 28 and name HB*) (resid 35 and name HB#) 3.3 1.5 2.5
assign (resid 28 and name HA) (resid 35 and name HA) 5.0 3.2 0.0
assign (resid 50 and name HA) (resid 11 and name HD*) 3.3 1.5 2.0
assign (resid 50 and name HA) (resid 11 and name HE*) 3.3 1.5 2.0
assign (resid 12 and name HB) (resid 55 and name HZ2) 5.0 3.2 1.0
!added 11/11
assign (resid 36 and name HA*) (resid 11 and name HE*) 2.7 0.9 3.0
assign (resid 35 and name HB*) (resid 11 and name HE*) 5.0 3.2 3.0
!added 11/12 loosened to W 11/18
assign (resid 41 and name HB) (resid 22 and name HG1#) 5.0 3.2 1.5
assign (resid 64 and name HA) (resid 67 and name HB*) 5.0 3.2 1.0
assign (resid 63 and name HA) (resid 66 and name HB*) 3.3 1.5 1.0
!added 11/22
assign (resid 71 and name HA) (resid 72 and name HD*) 2.7 0.9 1.0
!added 11/29
assign (resid 29 and name HD*) (resid 29 and name HA) 3.3 1.5 1.0
!added 11/30
assign (resid 6 and name HB*) (resid 38 and name HD#) 5.0 3.2 2.5
assign (resid 6 and name HG*) (resid 38 and name HD#) 3.3 1.5 2.5
assign (resid 11 and name HB*) (resid 50 and name HB*) 3.3 1.5 2.0
assign (resid 17 and name HD*) (resid 20 and name HD*) 3.3 1.5 2.0
assign (resid 17 and name HD*) (resid 20 and name HG*) 3.3 1.5 2.0
!loosened to W 12/01
assign (resid 30 and name HA) (resid 29 and name HA) 5.0 3.2 0.0
assign (resid 32 and name HA) (resid 33 and name HB*) 5.0 3.2 1.0
assign (resid 38 and name HG1*) (resid 27 and name HB*) 5.0 3.2 2.0
assign (resid 55 and name HA) (resid 59 and name HD*) 3.3 1.5 1.0
!assign (resid 55 and name HB*) (resid 59 and name HD*) 5.0 3.2 2.0
assign (resid 58 and name HB*) (resid 59 and name HD*) 3.3 1.5 2.0
assign (resid 58 and name HD*) (resid 59 and name HD*) 3.3 1.5 2.0
assign (resid 60 and name HG*) (resid 39 and name HE*) 3.3 1.5 2.0
assign (resid 60 and name HG*) (resid 39 and name HZ) 3.3 1.5 1.0
!added 12/06
assign (resid 3 and name HG2#) (resid 24 and name HD*) 3.3 1.5 3.5
assign (resid 51 and name HD*) (resid 11 and name HE*) 2.7 0.9 3.0
!added 12/07
! rem 12/09 dup
!assign (resid 16 and name HA) (resid 17 and name HD*) 2.7 0.9 1.0
assign (resid 3 and name HD#) (resid 38 and name HD#) 2.7 0.9 3.0
!loosen to W 12/13
assign (resid 4 and name HA) (resid 3 and name HG2#) 5.0 3.2 1.5
!rem 12/08 making 15 bad
!assign (resid 12 and name HG1#) (resid 16 and name HG1*) 2.7 0.9 2.5
!added 12/08
assign (resid 50 and name HB*) (resid 53 and name HB*) 3.3 1.5 2.0
assign (resid 22 and name HA) (resid 21 and name HA) 5.0 3.2 0.0
!rem 12/09 dup
!assign (resid 60 and name HG*) (resid 37 and name HG1#) 3.3 1.5 2.5
assign (resid 60 and name HG*) (resid 37 and name HG2#) 3.3 1.5 2.5
assign (resid 41 and name HB) (resid 45 and name HB*) 2.7 0.9 1.0
assign (resid 41 and name HA) (resid 20 and name HB*) 3.3 1.5 1.0
assign (resid 41 and name HA) (resid 42 and name HB*) 5.0 3.2 1.0
assign (resid 41 and name HG2#) (resid 16 and name HG2#) 2.7 0.9 3.0
assign (resid 50 and name HA) (resid 51 and name HG*) 3.3 1.5 1.0
assign (resid 52 and name HA) (resid 53 and name HA) 5.0 3.2 0.0
assign (resid 54 and name HA) (resid 53 and name HA) 5.0 3.2 0.0
!rem 1209 dup
!assign (resid 55 and name HD1) (resid 53 and name HB*) 3.3 1.5 1.0
!added 12/13 stereos
assign (resid 10 and name HA) (resid 10 and name HB1) 3.3 1.5 0.0
assign (resid 10 and name HA) (resid 10 and name HB2) 2.7 0.9 0.0
assign (resid 10 and name HB1) (resid 10 and name HD*) 2.7 0.9 2.0
assign (resid 10 and name HB2) (resid 10 and name HD*) 2.7 0.9 2.0
assign (resid 20 and name HB1) (resid 20 and name HA) 2.7 0.9 0.0
assign (resid 20 and name HB1) (resid 20 and name HD*) 2.7 0.9 1.0
assign (resid 20 and name HB1) (resid 20 and name HG*) 2.7 0.9 1.0
assign (resid 20 and name HB2) (resid 20 and name HA) 3.3 1.5 0.0
assign (resid 20 and name HB2) (resid 20 and name HD*) 2.7 0.9 1.0
assign (resid 20 and name HB2) (resid 20 and name HG*) 2.7 0.9 1.0
assign (resid 20 and name HB1) (resid 41 and name HG2#) 3.3 1.5 1.5
assign (resid 20 and name HB2) (resid 41 and name HG2#) 3.3 1.5 1.5
assign (resid 20 and name HB1) (resid 16 and name HG2#) 3.3 1.5 1.5
assign (resid 20 and name HB2) (resid 16 and name HG2#) 3.3 1.5 1.5
assign (resid 24 and name HA) (resid 24 and name HB1) 2.7 0.9 0.0
assign (resid 24 and name HA) (resid 24 and name HB2) 2.7 0.9 0.0
assign (resid 24 and name HB1) (resid 37 and name HG1#) 2.7 0.9 1.5
assign (resid 24 and name HB2) (resid 37 and name HG1#) 3.3 1.5 1.5
assign (resid 39 and name HA) (resid 24 and name HB1) 3.3 1.5 0.0
assign (resid 39 and name HA) (resid 24 and name HB2) 3.3 1.5 0.0
assign (resid 55 and name HA) (resid 55 and name HB1) 2.7 0.9 0.0
assign (resid 55 and name HA) (resid 55 and name HB2) 2.7 0.9 0.0
assign (resid 55 and name HB1) (resid 59 and name HD*) 5.0 3.2 1.0
assign (resid 55 and name HB2) (resid 59 and name HD*) 5.0 3.2 1.0
assign (resid 55 and name HD1) (resid 55 and name HB1) 5.0 3.2 0.0
assign (resid 55 and name HD1) (resid 55 and name HB2) 5.0 3.2 0.0
assign (resid 55 and name HE3) (resid 55 and name HB1) 5.0 3.2 0.0
assign (resid 55 and name HE3) (resid 55 and name HB2) 5.0 3.2 0.0
assign (resid 39 and name HA) (resid 39 and name HB1) 2.7 0.9 0.0
assign (resid 39 and name HB1) (resid 39 and name HD*) 3.3 1.5 2.0
assign (resid 39 and name HB1) (resid 16 and name HD#) 3.3 1.5 1.5
assign (resid 39 and name HB1) (resid 21 and name HG1#) 3.3 1.5 1.5
assign (resid 39 and name HB1) (resid 39 and name HE*) 3.3 1.5 2.0
assign (resid 39 and name HA) (resid 39 and name HB2) 3.3 1.5 0.0
assign (resid 39 and name HB2) (resid 39 and name HD*) 2.7 0.9 2.0
assign (resid 39 and name HB2) (resid 16 and name HD#) 2.7 0.9 1.5
assign (resid 39 and name HB2) (resid 21 and name HG1#) 3.3 1.5 1.5
assign (resid 39 and name HB2) (resid 39 and name HE*) 3.3 1.5 2.0
assign (resid 63 and name HB2) (resid 63 and name HD2#) 2.7 0.9 1.5
assign (resid 63 and name HB2) (resid 63 and name HD1#) 2.7 0.9 1.5
assign (resid 63 and name HB2) (resid 63 and name HG) 2.7 0.9 0.0
assign (resid 63 and name HB2) (resid 63 and name HA) 3.3 1.5 0.0
assign (resid 63 and name HB1) (resid 63 and name HD2#) 2.7 0.9 1.5
assign (resid 63 and name HB1) (resid 63 and name HD1#) 2.7 0.9 1.5
assign (resid 63 and name HB1) (resid 63 and name HG) 3.3 1.5 0.0
assign (resid 63 and name HB1) (resid 63 and name HB2) 2.7 0.9 0.0
assign (resid 63 and name HB1) (resid 63 and name HA) 3.3 1.5 0.0
assign (resid 63 and name HB2) (resid 60 and name HA) 3.3 1.5 0.0
assign (resid 60 and name HA) (resid 63 and name HB1) 3.3 1.5 0.0
assign (resid 60 and name HA) (resid 60 and name HB1) 2.7 0.9 0.0
!loosen to M 12/17
assign (resid 60 and name HA) (resid 60 and name HB2) 3.3 1.5 0.0
assign (resid 60 and name HB2) (resid 60 and name HG*) 2.7 0.9 1.0
assign (resid 60 and name HG*) (resid 60 and name HB1) 2.7 0.9 1.0
assign (resid 60 and name HB1) (resid 60 and name HE#) 2.7 0.9 1.5
assign (resid 60 and name HB2) (resid 60 and name HE#) 2.7 0.9 1.5
assign (resid 57 and name HA) (resid 60 and name HB1) 3.3 1.5 0.0
assign (resid 60 and name HB2) (resid 57 and name HA) 5.0 3.2 0.0
!new_aro_3d_1012.tbl
assign (resid 55 and name HZ2) (resid 55 and name HH2) 2.7 0.9 0.0
!assign (resid 55 and name HZ2) (resid 12 and name HG**) 2.7 0.9 2.5
assign (resid 55 and name HZ2) (resid 15 and name HA) 3.3 1.5 0.0
!assign (resid 55 and name HZ2) (resid 16 and name HD#) 3.3 1.5 1.5
!rem 10/20 do not see on 4d
!assign (resid 55 and name HZ2) (resid 56 and name HG1#) 3.3 1.5 1.5
!assign (resid 55 and name HZ2) (resid 56 and name HG2#) 2.7 0.9 1.5
!assign (resid 59 and name HE*) (resid 21 and name HG1#) 2.7 0.9 3.5
assign (resid 59 and name HE*) (resid 16 and name HB) 2.7 0.9 2.0
assign (resid 59 and name HE*) (resid 18 and name HA) 2.7 0.9 2.0
assign (resid 55 and name HZ3) (resid 16 and name HD#) 3.3 1.5 1.5
assign (resid 55 and name HZ3) (resid 55 and name HE3) 2.7 0.9 0.0
!assign (resid 55 and name HZ3) (resid 55 and name HH2) 2.7 0.9 0.0
!assign (resid 55 and name HE3) (resid 55 and name HZ3) 2.7 0.9 0.0
!set to W 10/13 was S insight says can't be <4.3 anyway and 15/15 viols
assign (resid 55 and name HE3) (resid 55 and name HH2) 5.0 3.2 0.0
!assign (resid 55 and name HH2) (resid 56 and name HG2#) 3.3 1.5 1.5
!assign (resid 55 and name HH2) (resid 16 and name HD#) 3.3 1.5 1.5
!assign (resid 55 and name HH2) (resid 12 and name HG**) 2.7 0.9 2.5
assign (resid 55 and name HH2) (resid 55 and name HZ3) 2.7 0.9 0.0
!assign (resid 55 and name HH2) (resid 55 and name HZ2) 2.7 0.9 0.0
!assign (resid 24 and name HD*) (resid 37 and name HG1#) 2.7 0.9 2.5
!assign (resid 24 and name HD*) (resid 26 and name HD2#) 2.7 0.9 2.5
!assign (resid 24 and name HD*) (resid 63 and name HD1#) 2.7 0.9 2.5
!rem stereo 10/28
assign (resid 24 and name HD*) (resid 63 and name HB*) 2.7 0.9 3.0
!assign (resid 24 and name HD*) (resid 63 and name HB1) 2.7 0.9 2.0
!set to W from S 10/22
assign (resid 24 and name HD*) (resid 63 and name HG) 5.0 3.2 2.0
assign (resid 24 and name HD*) (resid 24 and name HB*) 2.7 0.9 3.0
assign (resid 24 and name HD*) (resid 24 and name HE*) 2.7 0.9 3.0
!assign (resid 39 and name HD*) (resid 16 and name HD#) 2.7 0.9 3.5
!assign (resid 39 and name HD*) (resid 63 and name HD1#) 2.7 0.9 3.5
assign (resid 39 and name HD*) (resid 24 and name HB*) 3.3 1.5 3.0
!assign (resid 39 and name HD*) (resid 39 and name HB*) 2.7 0.9 3.0
!assign (resid 39 and name HD*) (resid 39 and name HA) 3.3 1.5 2.0
!assign (resid 39 and name HD*) (resid 39 and name HE*) 2.7 0.9 3.0
!assign (resid 59 and name HD*) (resid 21 and name HG1#) 2.7 0.9 3.5
!assign (resid 59 and name HD*) (resid 21 and name HG2#) 2.7 0.9 3.5
!assign (resid 39 and name HE*) (resid 56 and name HG2#) 3.3 1.5 3.5
!assign (resid 39 and name HE*) (resid 37 and name HG1#) 3.3 1.5 3.5
!assign (resid 39 and name HE*) (resid 56 and name HG1#) 2.7 0.9 3.5
!assign (resid 39 and name HE*) (resid 16 and name HD#) 3.3 1.5 3.5
assign (resid 39 and name HE*) (resid 56 and name HA) 3.3 1.5 2.0
assign (resid 39 and name HE*) (resid 39 and name HD*) 2.7 0.9 3.0
!assign (resid 39 and name HZ) (resid 37 and name HG1#) 3.3 1.5 1.5
!assign (resid 39 and name HZ) (resid 56 and name HG1#) 3.3 1.5 1.5
assign (resid 39 and name HZ) (resid 56 and name HA) 5.0 3.2 0.0
!
!c13_f10f11_1014.tbl
assign (resid 9 and name HB*) (resid 10 and name HD*) 5.0 3.2 3.0
assign (resid 12 and name HA) (resid 10 and name HD*) 3.3 1.5 2.0
assign (resid 11 and name HA) (resid 11 and name HD*) 2.7 0.9 2.0
!removed 11/04 as a test- sees weak 11/06 prob OK 
assign (resid 50 and name HB*) (resid 11 and name HD*) 3.3 1.5 3.0
assign (resid 9 and name HB*) (resid 10 and name HE*) 5.0 3.2 3.0
assign (resid 12 and name HA) (resid 10 and name HE*) 3.3 1.5 2.0
!set to M 10/20
assign (resid 11 and name HA) (resid 11 and name HE*) 3.3 1.5 2.0
!rem 11/08 back in 11/10 as E* -not yet
!assign (resid 36 and name HA*) (resid 11 and name HE*) 2.7 0.9 3.0
!c13_aro_1014.tbl
assign (resid 24 and name HD*) (resid 60 and name HA) 5.0 3.2 2.0
assign (resid 63 and name HG) (resid 24 and name HE*) 5.0 3.2 2.0
assign (resid 39 and name HD*) (resid 39 and name HA) 3.3 1.5 2.0
assign (resid 39 and name HD*) (resid 24 and name HA) 3.3 1.5 2.0
assign (resid 49 and name HA*) (resid 39 and name HD*) 5.0 3.2 3.0
!loosen to W 10/21
assign (resid 55 and name HA) (resid 55 and name HD1) 5.0 3.2 0.0
!assign (resid 55 and name HD1) (resid 55 and name HB*) 5.0 3.2 1.0
assign (resid 53 and name HB*) (resid 55 and name HD1) 3.3 1.5 1.0
!assign (resid 56 and name HG2#) (resid 55 and name HH2) 5.0 3.2 1.5
assign (resid 16 and name HB) (resid 55 and name HZ3) 5.0 3.2 0.0
assign (resid 56 and name HA) (resid 55 and name HZ3) 5.0 3.2 0.0
assign (resid 56 and name HA) (resid 55 and name HE3) 3.3 1.5 0.0
!assign (resid 55 and name HE3) (resid 55 and name HB*) 5.0 3.2 1.0
assign (resid 55 and name HA) (resid 55 and name HE3) 5.0 3.2 0.0
assign (resid 59 and name HE*) (resid 55 and name HE3) 3.3 1.5 2.0
assign (resid 59 and name HE*) (resid 55 and name HZ3) 3.3 1.5 2.0
!assign (resid 26 and name HD2#) (resid 24 and name HE*) 2.7 0.9 2.5
assign (resid 24 and name HA) (resid 24 and name HD*) 3.3 1.5 2.0
assign (resid 60 and name HE#) (resid 24 and name HE*) 2.7 0.9 3.5
assign (resid 24 and name HA) (resid 39 and name HE*) 3.3 1.5 2.0
assign (resid 37 and name HB) (resid 39 and name HE*) 3.3 1.5 2.0
!assign (resid 39 and name HB*) (resid 39 and name HE*) 3.3 1.5 3.0
!rem stereo 10/28
!assign (resid 59 and name HB1) (resid 39 and name HE*) 2.7 0.9 1.0
!assign (resid 59 and name HB2) (resid 39 and name HE*) 2.7 0.9 1.0
!assign (resid 59 and name HB2) (resid 39 and name HZ) 3.3 1.5 0.0
!assign (resid 59 and name HB1) (resid 39 and name HZ) 2.7 0.9 0.0
!assign (resid 59 and name HB2) (resid 59 and name HD*) 2.7 0.9 1.0
!assign (resid 59 and name HB1) (resid 59 and name HD*) 2.7 0.9 1.0
assign (resid 59 and name HB*) (resid 39 and name HE*) 2.7 0.9 3.0
assign (resid 59 and name HB*) (resid 39 and name HZ) 2.7 0.9 1.0
assign (resid 59 and name HB*) (resid 59 and name HD*) 2.7 0.9 3.0
!1201_aro_4d_noe.tbl
assign (resid 26 and name HD1#) (resid 24 and name HD*) 2.7 0.9 3.5
assign (resid 26 and name HD2#) (resid 24 and name HD*) 2.7 0.9 3.5
assign (resid 63 and name HD2#) (resid 24 and name HD*) 2.7 0.9 3.5
assign (resid 37 and name HG1#) (resid 24 and name HD*) 2.7 0.9 3.5
assign (resid 37 and name HG2#) (resid 24 and name HD*) 2.7 0.9 3.5
assign (resid 63 and name HD1#) (resid 24 and name HD*) 2.7 0.9 3.5
assign (resid 26 and name HD1#) (resid 24 and name HE*) 2.7 0.9 3.5
assign (resid 26 and name HD2#) (resid 24 and name HE*) 2.7 0.9 3.5
assign (resid 63 and name HD2#) (resid 24 and name HE*) 2.7 0.9 3.5
assign (resid 37 and name HG1#) (resid 24 and name HE*) 2.7 0.9 3.5
!loosened to M 12/04
assign (resid 37 and name HG2#) (resid 24 and name HE*) 3.3 1.5 3.5
assign (resid 16 and name HD#) (resid 39 and name HD*) 2.7 0.9 3.5
assign (resid 21 and name HG1#) (resid 39 and name HD*) 2.7 0.9 3.5
!loosened to M 12/04
assign (resid 21 and name HG2#) (resid 39 and name HD*) 3.3 1.5 3.5
!loosened to M 12/04
assign (resid 37 and name HG1#) (resid 39 and name HD*) 3.3 1.5 3.5
!loosened to M 12/04
assign (resid 56 and name HG2#) (resid 39 and name HD*) 3.3 1.5 3.5
assign (resid 63 and name HD1#) (resid 39 and name HD*) 2.7 0.9 3.5
assign (resid 16 and name HD#) (resid 39 and name HE*) 2.7 0.9 3.5
assign (resid 21 and name HG1#) (resid 39 and name HE*) 2.7 0.9 3.5
assign (resid 37 and name HG1#) (resid 39 and name HE*) 2.7 0.9 3.5
assign (resid 56 and name HG1#) (resid 39 and name HE*) 2.7 0.9 3.5
assign (resid 56 and name HG2#) (resid 39 and name HE*) 2.7 0.9 3.5
assign (resid 63 and name HD1#) (resid 39 and name HE*) 2.7 0.9 3.5
assign (resid 37 and name HG1#) (resid 39 and name HZ) 2.7 0.9 1.5
assign (resid 56 and name HG1#) (resid 39 and name HZ) 2.7 0.9 1.5
!removed 12/03- had been removed 10/13 for always violating
!assign (resid 38 and name HG2#) (resid 55 and name HE3) 2.7 0.9 1.5
assign (resid 56 and name HG2#) (resid 55 and name HE3) 2.7 0.9 1.5
assign (resid 12 and name HG1#) (resid 55 and name HH2) 2.7 0.9 1.5
assign (resid 12 and name HG2#) (resid 55 and name HH2) 2.7 0.9 1.5
assign (resid 16 and name HD#) (resid 55 and name HH2) 2.7 0.9 1.5
assign (resid 56 and name HG2#) (resid 55 and name HH2) 2.7 0.9 1.5
assign (resid 12 and name HG1#) (resid 55 and name HZ2) 2.7 0.9 1.5
assign (resid 12 and name HG2#) (resid 55 and name HZ2) 2.7 0.9 1.5
!loosened to M 12/04
assign (resid 16 and name HD#) (resid 55 and name HZ2) 3.3 1.5 1.5
assign (resid 56 and name HG2#) (resid 55 and name HZ2) 2.7 0.9 1.5
assign (resid 21 and name HG1#) (resid 59 and name HD*) 2.7 0.9 3.5
assign (resid 21 and name HG2#) (resid 59 and name HD*) 2.7 0.9 3.5
assign (resid 16 and name HG2#) (resid 59 and name HE*) 2.7 0.9 3.5
assign (resid 16 and name HD#) (resid 59 and name HE*) 2.7 0.9 3.5
assign (resid 21 and name HG1#) (resid 59 and name HE*) 2.7 0.9 3.5
assign (resid 21 and name HG2#) (resid 59 and name HE*) 2.7 0.9 3.5
assign (resid 12 and name HG2#) (resid 11 and name HE*) 2.7 0.9 3.5
assign (resid 12 and name HG1#) (resid 10 and name HE*) 2.7 0.9 3.5
!15N restraints
assign (resid 2 and name HN) (resid 2 and name HA) 5.0 3.2 0.2
assign (resid 2 and name HN) (resid 2 and name HB) 3.3 1.5 0.2
assign (resid 3 and name HN) (resid 3 and name HA) 5.0 3.2 0.2
assign (resid 3 and name HN) (resid 3 and name HB) 2.7 0.9 0.2
assign (resid 3 and name HN) (resid 3 and name HD#) 3.3 1.5 1.7
!loosened to W 9/17
assign (resid 3 and name HN) (resid 3 and name HG1*) 5.0 3.2 1.2
!removed 9/8 dup
!assign (resid 3 and name HN) (resid 3 and name HG1*) 5.0 3.2 1.2
assign (resid 8 and name HN) (resid 8 and name HA) 3.3 1.5 0.2
!assign (resid 8 and name HN) (resid 8 and name HB*) 3.3 1.5 1.2
assign (resid 9 and name HN) (resid 9 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 9 and name HN) (resid 9 and name HB*) 3.3 1.5 1.2
assign (resid 9 and name HN) (resid 9 and name HG*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 9 and name HN) (resid 9 and name HG*) 3.3 1.5 1.2
!assign (resid 10 and name HN) (resid 10 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 10 and name HN) (resid 10 and name HB*) 5.0 3.2 1.2
assign (resid 11 and name HN) (resid 11 and name HA) 5.0 3.2 0.2
assign (resid 12 and name HN) (resid 12 and name HA) 3.3 1.5 0.2
assign (resid 12 and name HN) (resid 12 and name HB) 3.3 1.5 0.2
assign (resid 12 and name HN) (resid 12 and name HG**) 2.7 0.9 2.7
assign (resid 13 and name HN) (resid 13 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 13 and name HN) (resid 13 and name HB*) 3.3 1.5 1.2
assign (resid 14 and name HN) (resid 14 and name HA) 3.3 1.5 0.2
assign (resid 14 and name HN) (resid 14 and name HB*) 2.7 0.9 1.2
assign (resid 15 and name HN) (resid 15 and name HA) 3.3 1.5 0.2
!rem stereo 10/28
!assign (resid 15 and name HN) (resid 15 and name HB1) 2.7 0.9 0.2
assign (resid 15 and name HN) (resid 15 and name HB*) 2.7 0.9 1.2
assign (resid 15 and name HN) (resid 15 and name HG*) 3.3 1.5 1.2
assign (resid 16 and name HN) (resid 16 and name HA) 5.0 3.2 0.2
assign (resid 16 and name HN) (resid 16 and name HB) 5.0 3.2 0.2
assign (resid 16 and name HN) (resid 16 and name HD#) 5.0 3.2 1.7
assign (resid 16 and name HN) (resid 16 and name HG11) 5.0 3.2 0.2
assign (resid 16 and name HN) (resid 16 and name HG12) 5.0 3.2 0.2
assign (resid 18 and name HN) (resid 18 and name HA) 3.3 1.5 0.2
assign (resid 18 and name HN) (resid 18 and name HG*) 3.3 1.5 1.2
assign (resid 19 and name HN) (resid 19 and name HA) 2.7 0.9 0.2
assign (resid 19 and name HN) (resid 19 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 19 and name HN) (resid 19 and name HB*) 3.3 1.5 1.2
!assign (resid 20 and name HN) (resid 20 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 20 and name HN) (resid 20 and name HB*) 3.3 1.5 1.2
assign (resid 20 and name HN) (resid 20 and name HG*) 2.7 0.9 1.2
assign (resid 21 and name HN) (resid 21 and name HA) 3.3 1.5 0.2
assign (resid 21 and name HN) (resid 21 and name HG2#) 2.7 0.9 1.7
assign (resid 21 and name HN) (resid 21 and name HG1#) 3.3 1.5 1.7
assign (resid 22 and name HN) (resid 22 and name HA) 3.3 1.5 0.2
assign (resid 22 and name HN) (resid 22 and name HB) 3.3 1.5 0.2
assign (resid 23 and name HN) (resid 23 and name HB*) 2.7 0.9 1.2
assign (resid 24 and name HN) (resid 24 and name HA) 3.3 1.5 0.2
!assign (resid 24 and name HN) (resid 24 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 24 and name HN) (resid 24 and name HB*) 5.0 3.2 1.2
assign (resid 25 and name HN) (resid 25 and name HA) 3.3 1.5 0.2
assign (resid 25 and name HN) (resid 25 and name HB*) 2.7 0.9 1.2
assign (resid 26 and name HN) (resid 26 and name HA) 3.3 1.5 0.2
assign (resid 26 and name HN) (resid 26 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 26 and name HN) (resid 26 and name HB*) 2.7 0.9 1.2
assign (resid 27 and name HN) (resid 27 and name HA) 2.7 0.9 0.2
assign (resid 27 and name HN) (resid 27 and name HB*) 2.7 0.9 1.2
assign (resid 28 and name HN) (resid 28 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 28 and name HN) (resid 28 and name HB*) 3.3 1.5 1.2
assign (resid 29 and name HN) (resid 29 and name HA) 5.0 3.2 0.2
!rem stereo 10/28
!assign (resid 29 and name HN) (resid 29 and name HB2) 3.3 1.5 0.2
!assign (resid 29 and name HN) (resid 29 and name HB1) 3.3 1.5 0.2
assign (resid 29 and name HN) (resid 29 and name HB*) 3.3 1.5 1.2
assign (resid 29 and name HN) (resid 29 and name HG*) 3.3 1.5 1.2
assign (resid 30 and name HN) (resid 30 and name HA) 3.3 1.5 0.2
assign (resid 30 and name HN) (resid 30 and name HB*) 3.3 1.5 1.2
assign (resid 31 and name HN) (resid 31 and name HG2#) 3.3 1.5 1.7
assign (resid 32 and name HN) (resid 32 and name HA) 3.3 1.5 0.2
assign (resid 32 and name HN) (resid 32 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 32 and name HN) (resid 32 and name HB*) 3.3 1.5 1.2
assign (resid 32 and name HN) (resid 33 and name HN) 5.0 3.2 0.4
assign (resid 33 and name HN) (resid 32 and name HA) 2.7 0.9 0.2
!removed 9/8 dup
!assign (resid 33 and name HN) (resid 32 and name HB*) 5.0 3.2 1.2
assign (resid 33 and name HN) (resid 32 and name HB*) 3.3 1.5 1.2
assign (resid 33 and name HN) (resid 33 and name HA) 2.7 0.9 0.2
assign (resid 33 and name HN) (resid 33 and name HD**) 3.3 1.5 2.7
assign (resid 34 and name HN) (resid 34 and name HA) 5.0 3.2 0.2
assign (resid 34 and name HN) (resid 34 and name HG*) 5.0 3.2 1.2
!rem 11/05 back 11/08
assign (resid 35 and name HN) (resid 35 and name HB#) 2.7 0.9 1.7
assign (resid 36 and name HN) (resid 36 and name HA1) 3.3 1.5 0.2
assign (resid 36 and name HN) (resid 36 and name HA2) 3.3 1.5 0.2
!changed 9/3 from 2.7 0.9 0.2 to M kept being viol
assign (resid 37 and name HN) (resid 37 and name HB) 3.3 1.5 0.2
assign (resid 37 and name HN) (resid 37 and name HG1#) 3.3 1.5 1.7
assign (resid 37 and name HN) (resid 37 and name HG2#) 2.7 0.9 1.7
assign (resid 38 and name HN) (resid 38 and name HA) 5.0 3.2 0.2
assign (resid 38 and name HN) (resid 38 and name HB) 2.7 0.9 0.2
assign (resid 39 and name HN) (resid 39 and name HA) 3.3 1.5 0.2
assign (resid 39 and name HN) (resid 39 and name HB*) 2.7 0.9 1.2
assign (resid 40 and name HN) (resid 40 and name HA) 2.7 0.9 0.2
assign (resid 41 and name HN) (resid 41 and name HA) 2.7 0.9 0.2
assign (resid 41 and name HN) (resid 41 and name HB) 2.7 0.9 0.2
assign (resid 44 and name HN) (resid 44 and name HA1) 2.7 0.9 0.2
assign (resid 44 and name HN) (resid 44 and name HA2) 2.7 0.9 0.2
assign (resid 45 and name HN) (resid 45 and name HA) 3.3 1.5 0.2
assign (resid 45 and name HN) (resid 45 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 45 and name HN) (resid 45 and name HB*) 3.3 1.5 1.2
assign (resid 45 and name HN) (resid 45 and name HG*) 3.3 1.5 1.2
assign (resid 47 and name HN) (resid 47 and name HA) 3.3 1.5 0.2
assign (resid 47 and name HN) (resid 47 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 47 and name HN) (resid 47 and name HB*) 5.0 3.2 1.2
assign (resid 48 and name HN) (resid 48 and name HA) 3.3 1.5 0.2
assign (resid 48 and name HN) (resid 48 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 48 and name HN) (resid 48 and name HB*) 2.7 0.9 1.2
assign (resid 49 and name HN) (resid 49 and name HA1) 2.7 0.9 0.2
assign (resid 49 and name HN) (resid 49 and name HA2) 3.3 1.5 0.2
assign (resid 50 and name HN) (resid 50 and name HA) 3.3 1.5 0.2
assign (resid 50 and name HN) (resid 50 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 50 and name HN) (resid 50 and name HB*) 2.7 0.9 1.2
assign (resid 52 and name HN) (resid 52 and name HA) 2.7 0.9 0.2
assign (resid 53 and name HN) (resid 53 and name HA) 3.3 1.5 0.2
assign (resid 53 and name HN) (resid 53 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 53 and name HN) (resid 53 and name HB*) 2.7 0.9 1.2
assign (resid 53 and name HN) (resid 53 and name HG*) 2.7 0.9 1.2
assign (resid 54 and name HN) (resid 54 and name HA) 3.3 1.5 0.2
assign (resid 54 and name HN) (resid 54 and name HB*) 2.7 0.9 1.2
assign (resid 54 and name HN) (resid 54 and name HG*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 54 and name HN) (resid 54 and name HG*) 5.0 3.2 1.2
assign (resid 55 and name HN) (resid 55 and name HA) 3.3 1.5 0.2
!assign (resid 55 and name HN) (resid 55 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 55 and name HN) (resid 55 and name HB*) 2.7 0.9 1.2
assign (resid 55 and name HN) (resid 55 and name HD1) 2.7 0.9 0.2
assign (resid 55 and name HN) (resid 55 and name HE1) 5.0 3.2 0.2
assign (resid 56 and name HN) (resid 56 and name HA) 3.3 1.5 0.2
assign (resid 56 and name HN) (resid 56 and name HB) 2.7 0.9 0.2
assign (resid 56 and name HN) (resid 56 and name HG2#) 2.7 0.9 1.7
assign (resid 56 and name HN) (resid 56 and name HG1#) 3.3 1.5 1.7
assign (resid 56 and name HN) (resid 57 and name HA) 5.0 3.2 0.2
assign (resid 57 and name HN) (resid 56 and name HA) 5.0 3.2 0.2
assign (resid 57 and name HN) (resid 56 and name HB) 2.7 0.9 0.2
assign (resid 57 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
assign (resid 57 and name HN) (resid 56 and name HG1#) 3.3 1.5 1.7
assign (resid 57 and name HN) (resid 57 and name HA) 2.7 0.9 0.2
assign (resid 57 and name HN) (resid 57 and name HB*) 2.7 0.9 1.2
assign (resid 57 and name HN) (resid 57 and name HG*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 57 and name HN) (resid 57 and name HG*) 2.7 0.9 1.2
assign (resid 58 and name HN) (resid 58 and name HA) 2.7 0.9 0.2
!loosen to M 12/06
assign (resid 58 and name HN) (resid 58 and name HG*) 3.3 1.5 1.2
assign (resid 59 and name HN) (resid 59 and name HA) 3.3 1.5 0.2
assign (resid 59 and name HN) (resid 59 and name HB*) 2.7 0.9 1.2
!assign (resid 59 and name HN) (resid 59 and name HB2) 2.7 0.9 0.2
!assign (resid 59 and name HN) (resid 59 and name HB1) 2.7 0.9 0.2
assign (resid 60 and name HN) (resid 60 and name HA) 3.3 1.5 0.2
!assign (resid 60 and name HN) (resid 60 and name HB*) 2.7 0.9 1.2
!assign (resid 60 and name HN) (resid 60 and name HB2) 2.7 0.9 0.2
assign (resid 60 and name HN) (resid 60 and name HG*) 2.7 0.9 1.2
assign (resid 61 and name HN) (resid 61 and name HA) 2.7 0.9 0.2
assign (resid 62 and name HN) (resid 62 and name HA) 2.7 0.9 0.2
!removed 9/8 dup
!assign (resid 62 and name HN) (resid 62 and name HB*) 3.3 1.5 1.2
assign (resid 62 and name HN) (resid 62 and name HB*) 2.7 0.9 1.2
assign (resid 63 and name HN) (resid 63 and name HA) 3.3 1.5 0.2
!removed 9/8 dup
!assign (resid 63 and name HN) (resid 63 and name HB*) 3.3 1.5 1.2
!assign (resid 63 and name HN) (resid 63 and name HB*) 2.7 0.9 1.2
assign (resid 63 and name HN) (resid 63 and name HD2#) 3.3 1.5 1.7
assign (resid 63 and name HN) (resid 63 and name HD1#) 3.3 1.5 1.7
assign (resid 63 and name HN) (resid 63 and name HG) 2.7 0.9 0.2
assign (resid 64 and name HN) (resid 64 and name HA) 3.3 1.5 0.2
assign (resid 64 and name HN) (resid 64 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 64 and name HN) (resid 64 and name HB*) 2.7 0.9 1.2
assign (resid 65 and name HN) (resid 65 and name HA) 3.3 1.5 0.2
assign (resid 65 and name HN) (resid 65 and name HB#) 2.7 0.9 1.7
assign (resid 66 and name HN) (resid 66 and name HB*) 2.7 0.9 1.2
!very OL loosened to M 11/18
assign (resid 66 and name HN) (resid 66 and name HG*) 5.0 3.2 1.2
assign (resid 67 and name HN) (resid 67 and name HB*) 2.7 0.9 1.2
assign (resid 67 and name HN) (resid 67 and name HG*) 5.0 3.2 1.2
assign (resid 68 and name HN) (resid 68 and name HB*) 2.7 0.9 1.2
assign (resid 68 and name HN) (resid 68 and name HG*) 3.3 1.5 1.2
assign (resid 69 and name HN) (resid 69 and name HB*) 2.7 0.9 1.2
assign (resid 69 and name HN) (resid 69 and name HG*) 3.3 1.5 1.2
assign (resid 70 and name HN) (resid 70 and name HB#) 2.7 0.9 1.7
!
!
!added 10/4 from 3d h20 15n nulls
assign (resid 22 and name HN) (resid 22 and name HG2#) 2.7 0.9 1.7
assign (resid 2 and name HN) (resid 2 and name HG*) 3.3 1.5 1.2
assign (resid 26 and name HN) (resid 26 and name HD2#) 3.3 1.5 1.7
assign (resid 38 and name HN) (resid 38 and name HG1*) 3.3 1.5 1.2
!loosen to M 11/29
assign (resid 8 and name HN) (resid 8 and name HB*) 3.3 1.5 1.2
assign (resid 11 and name HN) (resid 11 and name HB*) 2.7 0.9 1.2
assign (resid 14 and name HN) (resid 14 and name HG*) 2.7 0.9 1.2
assign (resid 18 and name HN) (resid 18 and name HB*) 2.7 0.9 1.2
!
!15n restraints
assign (resid 2 and name HN) (resid 1 and name HA) 2.7 0.9 0.2
assign (resid 3 and name HN) (resid 2 and name HA) 2.7 0.9 0.2
assign (resid 5 and name HN) (resid 4 and name HA) 3.3 1.5 0.2
!rem both 11/29
!assign (resid 7 and name HN) (resid 6 and name HA) 2.7 0.9 0.2
!assign (resid 7 and name HN) (resid 6 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 7 and name HN) (resid 6 and name HB*) 5.0 3.2 1.2
assign (resid 8 and name HN) (resid 7 and name HA) 2.7 0.9 0.2
assign (resid 8 and name HN) (resid 7 and name HB*) 3.3 1.5 1.2
assign (resid 9 and name HN) (resid 10 and name HN) 3.3 1.5 0.4
!rem 11/29
!assign (resid 9 and name HN) (resid 8 and name HA) 2.7 0.9 0.2
assign (resid 10 and name HN) (resid 9 and name HB*) 5.0 3.2 1.2
assign (resid 10 and name HN) (resid 9 and name HG*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 10 and name HN) (resid 9 and name HG*) 5.0 3.2 12
assign (resid 11 and name HN) (resid 10 and name HA) 2.7 0.9 0.2
assign (resid 11 and name HN) (resid 10 and name HN) 5.0 3.2 0.4
assign (resid 11 and name HN) (resid 12 and name HN) 5.0 3.2 0.4
assign (resid 12 and name HN) (resid 11 and name HA) 2.7 0.9 0.2
assign (resid 12 and name HN) (resid 11 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 12 and name HN) (resid 11 and name HB*) 3.3 1.5 1.2
assign (resid 13 and name HN) (resid 12 and name HA) 2.7 0.9 0.2
assign (resid 13 and name HN) (resid 12 and name HB) 3.3 1.5 0.2
assign (resid 13 and name HN) (resid 12 and name HG**) 3.3 1.5 2.7
assign (resid 13 and name HN) (resid 14 and name HN) 2.7 0.9 0.4
assign (resid 14 and name HN) (resid 13 and name HA) 3.3 1.5 0.2
assign (resid 14 and name HN) (resid 13 and name HB*) 3.3 1.5 1.2
assign (resid 15 and name HN) (resid 14 and name HA) 2.7 0.9 0.2
assign (resid 15 and name HN) (resid 14 and name HB*) 2.7 0.9 1.2
assign (resid 15 and name HN) (resid 14 and name HN) 5.0 3.2 0.4
assign (resid 16 and name HN) (resid 15 and name HA) 2.7 0.9 0.2
assign (resid 18 and name HN) (resid 17 and name HA) 2.7 0.9 0.2
assign (resid 18 and name HN) (resid 17 and name HB*) 3.3 1.5 1.2
assign (resid 18 and name HN) (resid 19 and name HN) 3.3 1.5 0.4
assign (resid 19 and name HN) (resid 18 and name HA) 5.0 3.2 0.2
assign (resid 19 and name HN) (resid 18 and name HB*) 2.7 0.9 1.2
assign (resid 19 and name HN) (resid 20 and name HN) 2.7 0.9 0.4
assign (resid 20 and name HN) (resid 21 and name HN) 2.7 0.9 0.4
assign (resid 21 and name HN) (resid 20 and name HA) 3.3 1.5 0.2
!assign (resid 21 and name HN) (resid 20 and name HB*) 3.3 1.5 1.2
!loosened to W 12/15
assign (resid 21 and name HN) (resid 20 and name HG*) 3.3 1.5 1.2
assign (resid 22 and name HN) (resid 21 and name HA) 2.7 0.9 0.2
assign (resid 22 and name HN) (resid 21 and name HG1#) 3.3 1.5 1.7
assign (resid 22 and name HN) (resid 23 and name HN) 2.7 0.9 0.4
assign (resid 23 and name HN) (resid 22 and name HA) 5.0 3.2 0.2
assign (resid 23 and name HN) (resid 22 and name HB) 3.3 1.5 0.2
assign (resid 24 and name HN) (resid 23 and name HA) 3.3 1.5 0.2
assign (resid 24 and name HN) (resid 23 and name HB*) 2.7 0.9 1.2
!removed 9/3 c.b. 24HN to 40 HN
!assign (resid 24 and name HN) (resid 25 and name HN) 2.7 0.9 0.4
!removed 9/3 cb 40 HN
!assign (resid 25 and name HN) (resid 24 and name HA) 2.7 0.9 0.2
assign (resid 26 and name HN) (resid 25 and name HA) 2.7 0.9 0.2
assign (resid 27 and name HN) (resid 26 and name HA) 2.7 0.9 0.2
assign (resid 27 and name HN) (resid 26 and name HB*) 3.3 1.5 1.2
assign (resid 27 and name HN) (resid 26 and name HN) 5.0 3.2 0.4
assign (resid 28 and name HN) (resid 27 and name HA) 2.7 0.9 0.2
assign (resid 29 and name HN) (resid 28 and name HA) 2.7 0.9 0.2
assign (resid 30 and name HN) (resid 29 and name HA) 3.3 1.5 0.2
assign (resid 30 and name HN) (resid 31 and name HN) 5.0 3.2 0.4
assign (resid 31 and name HN) (resid 30 and name HB*) 5.0 3.2 1.2
assign (resid 32 and name HN) (resid 31 and name HA) 3.3 1.5 0.2
assign (resid 32 and name HN) (resid 31 and name HG2#) 5.0 3.2 1.7
assign (resid 32 and name HN) (resid 31 and name HN) 2.7 0.9 0.4
assign (resid 34 and name HN) (resid 33 and name HA) 3.3 1.5 0.2
!OL loosened to M 11/22
assign (resid 34 and name HN) (resid 33 and name HB*) 3.3 1.5 1.2
!rem 11/05 back 11/08
assign (resid 35 and name HN) (resid 34 and name HN) 5.0 3.2 0.4
assign (resid 36 and name HN) (resid 35 and name HA) 2.7 0.9 0.2
assign (resid 36 and name HN) (resid 35 and name HB#) 3.3 1.5 1.7
assign (resid 37 and name HN) (resid 36 and name HA1) 2.7 0.9 0.2
assign (resid 37 and name HN) (resid 36 and name HA2) 2.7 0.9 0.2
assign (resid 38 and name HN) (resid 37 and name HG1#) 3.3 1.5 1.7
assign (resid 38 and name HN) (resid 37 and name HA) 2.7 0.9 0.2
assign (resid 38 and name HN) (resid 39 and name HN) 5.0 3.2 0.4
assign (resid 39 and name HN) (resid 38 and name HA) 2.7 0.9 0.2
!removed 9/3 cb 25HN
!assign (resid 40 and name HN) (resid 39 and name HA) 2.7 0.9 0.2
assign (resid 41 and name HN) (resid 40 and name HA) 2.7 0.9 0.2
assign (resid 41 and name HN) (resid 40 and name HB) 5.0 3.2 0.2
assign (resid 44 and name HN) (resid 43 and name HA) 3.3 1.5 0.2
!removed stereo 10/21
assign (resid 44 and name HN) (resid 43 and name HB*) 3.3 1.5 1.2
!assign (resid 44 and name HN) (resid 43 and name HB2) 3.3 1.5 0.2
!assign (resid 44 and name HN) (resid 43 and name HB1) 3.3 1.5 0.2
assign (resid 44 and name HN) (resid 45 and name HN) 3.3 1.5 0.4
!changed 9/16 from Ha1 and Ha2 to HA*
assign (resid 45 and name HN) (resid 44 and name HA*) 3.3 1.5 1.2
!assign (resid 45 and name HN) (resid 44 and name HA2) 3.3 1.5 0.2
assign (resid 45 and name HN) (resid 46 and name HN) 5.0 3.2 0.4
assign (resid 47 and name HN) (resid 46 and name HA) 2.7 0.9 0.2
assign (resid 47 and name HN) (resid 46 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 47 and name HN) (resid 46 and name HB*) 3.3 1.5 1.2
assign (resid 47 and name HN) (resid 46 and name HN) 3.3 1.5 0.4
assign (resid 48 and name HN) (resid 47 and name HA) 2.7 0.9 0.2
assign (resid 48 and name HN) (resid 47 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 48 and name HN) (resid 47 and name HB*) 3.3 1.5 1.2
assign (resid 48 and name HN) (resid 47 and name HN) 5.0 3.2 0.4
assign (resid 49 and name HN) (resid 48 and name HA) 2.7 0.9 0.2
!removed 9/8 dup
!assign (resid 49 and name HN) (resid 48 and name HB*) 5.0 3.2 1.2
assign (resid 49 and name HN) (resid 48 and name HB*) 3.3 1.5 1.2
assign (resid 50 and name HN) (resid 49 and name HA1) 2.7 0.9 0.2
assign (resid 50 and name HN) (resid 49 and name HA2) 2.7 0.9 0.2
assign (resid 50 and name HN) (resid 49 and name HN) 5.0 3.2 0.4
assign (resid 53 and name HN) (resid 52 and name HA) 3.3 1.5 0.2
assign (resid 53 and name HN) (resid 52 and name HN) 2.7 0.9 0.4
assign (resid 54 and name HN) (resid 53 and name HA) 2.7 0.9 0.2
assign (resid 54 and name HN) (resid 53 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 54 and name HN) (resid 53 and name HB*) 3.3 1.5 1.2
assign (resid 54 and name HN) (resid 53 and name HN) 5.0 3.2 0.4
assign (resid 54 and name HN) (resid 55 and name HN) 3.3 1.5 0.4
assign (resid 55 and name HN) (resid 54 and name HA) 5.0 3.2 0.2
assign (resid 55 and name HN) (resid 54 and name HB*) 2.7 0.9 1.2
assign (resid 55 and name HN) (resid 54 and name HG*) 5.0 3.2 1.2
!removed 9/8 dup
!assign (resid 55 and name HN) (resid 54 and name HG*) 5.0 3.2 1.2
assign (resid 55 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
!removed 9/8 dup
!assign (resid 55 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
assign (resid 58 and name HN) (resid 57 and name HA) 5.0 3.2 0.2
assign (resid 58 and name HN) (resid 57 and name HN) 3.3 1.5 0.4
assign (resid 59 and name HN) (resid 58 and name HA) 5.0 3.2 0.2
assign (resid 59 and name HN) (resid 58 and name HG*) 3.3 1.5 1.2
assign (resid 59 and name HN) (resid 58 and name HN) 3.3 1.5 0.4
assign (resid 59 and name HN) (resid 60 and name HN) 3.3 1.5 0.4
assign (resid 60 and name HN) (resid 59 and name HA) 3.3 1.5 0.2
assign (resid 60 and name HN) (resid 59 and name HB*) 3.3 1.5 1.2
!assign (resid 60 and name HN) (resid 59 and name HB2) 3.3 1.5 0.2
!assign (resid 60 and name HN) (resid 59 and name HB1) 3.3 1.5 0.2
assign (resid 60 and name HN) (resid 61 and name HN) 3.3 1.5 0.4
assign (resid 61 and name HN) (resid 60 and name HA) 5.0 3.2 0.2
assign (resid 62 and name HN) (resid 61 and name HA) 5.0 3.2 0.2
assign (resid 62 and name HN) (resid 61 and name HB*) 2.7 0.9 1.2
assign (resid 62 and name HN) (resid 61 and name HN) 3.3 1.5 0.4
assign (resid 63 and name HN) (resid 62 and name HA) 5.0 3.2 0.2
assign (resid 63 and name HN) (resid 62 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 63 and name HN) (resid 62 and name HB*) 3.3 1.5 1.2
assign (resid 63 and name HN) (resid 64 and name HN) 2.7 0.9 0.4
assign (resid 64 and name HN) (resid 63 and name HA) 3.3 1.5 0.2
!rem stereo 10/28
!assign (resid 64 and name HN) (resid 63 and name HB1) 3.3 1.5 0.2
!assign (resid 64 and name HN) (resid 63 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup added back 9/17 as stereo assigns
!assign (resid 64 and name HN) (resid 63 and name HB2) 3.3 1.5 0.2
assign (resid 64 and name HN) (resid 63 and name HD2#) 5.0 3.2 1.7
assign (resid 64 and name HN) (resid 63 and name HD1#) 5.0 3.2 1.7
assign (resid 64 and name HN) (resid 63 and name HG) 5.0 3.2 0.2
assign (resid 64 and name HN) (resid 65 and name HN) 3.3 1.5 0.4
assign (resid 65 and name HN) (resid 64 and name HB*) 3.3 1.5 1.2
!removed 9/8 dup
!assign (resid 65 and name HN) (resid 64 and name HB*) 3.3 1.5 1.2
assign (resid 65 and name HN) (resid 66 and name HN) 2.7 0.9 0.4
!9/13 changed from S to M
assign (resid 67 and name HN) (resid 66 and name HA) 3.3 1.5 0.2
assign (resid 67 and name HN) (resid 66 and name HB*) 2.7 0.9 1.2
assign (resid 67 and name HN) (resid 66 and name HG*) 3.3 1.5 1.2
assign (resid 67 and name HN) (resid 66 and name HN) 2.7 0.9 0.4
assign (resid 68 and name HN) (resid 67 and name HB*) 3.3 1.5 1.2
assign (resid 68 and name HN) (resid 67 and name HN) 3.3 1.5 0.4
assign (resid 70 and name HN) (resid 69 and name HA) 2.7 0.9 0.2
assign (resid 71 and name HN) (resid 70 and name HA) 3.3 1.5 0.2
assign (resid 71 and name HN) (resid 70 and name HB#) 5.0 3.2 1.7
assign (resid 73 and name HN) (resid 72 and name HA) 5.0 3.2 0.2
!added back 9/13
!added 6/15
assign (resid 57 and name HN) (resid 56 and name HN) 2.7 0.9 0.4
assign (resid 55 and name HN) (resid 56 and name HN) 3.3 1.5 0.4
!added 6/18
assign (resid 33 and name HN) (resid 34 and name HN) 3.3 1.5 0.4
!
!
!added 10/04
assign (resid 15 and name HN) (resid 14 and name HG*) 5.0 3.2 1.2
assign (resid 20 and name HN) (resid 21 and name HG2#) 3.3 1.5 1.7
assign (resid 23 and name HN) (resid 22 and name HG2#) 2.7 0.9 1.7
assign (resid 27 and name HN) (resid 26 and name HD2#) 3.3 1.5 1.7
!
!15N restraints
assign (resid 14 and name HN) (resid 12 and name HB) 3.3 1.5 0.2
assign (resid 19 and name HN) (resid 17 and name HB*) 5.0 3.2 1.2
assign (resid 20 and name HN) (resid 18 and name HA) 5.0 3.2 0.2
assign (resid 21 and name HN) (resid 18 and name HA) 5.0 3.2 0.2
assign (resid 34 and name HN) (resid 32 and name HB*) 5.0 3.2 1.2
!removed 9/8 dup
!assign (resid 34 and name HN) (resid 32 and name HB*) 5.0 3.2 1.2
assign (resid 41 and name HN) (resid 45 and name HN) 5.0 3.2 0.4
!removed 11/14 loosen to M 11/15
assign (resid 41 and name HN) (resid 46 and name HA) 3.3 1.5 0.2
assign (resid 44 and name HN) (resid 42 and name HA) 5.0 3.2 0.2
assign (resid 52 and name HN) (resid 56 and name HG1#) 5.0 3.2 1.7
assign (resid 53 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
assign (resid 53 and name HN) (resid 56 and name HG1#) 5.0 3.2 1.7
assign (resid 54 and name HN) (resid 56 and name HG2#) 5.0 3.2 1.7
assign (resid 55 and name HN) (resid 53 and name HB*) 2.7 0.9 1.2
!removed 9/8 dup
!assign (resid 55 and name HN) (resid 53 and name HB*) 3.3 1.5 1.2
assign (resid 58 and name HN) (resid 56 and name HG2#) 5.0 3.2 1.7
assign (resid 59 and name HN) (resid 56 and name HA) 5.0 3.2 0.2
!changed 7/14 from 3.3 1.5 0.7 to 5.0 3.2 0.7
assign (resid 59 and name HN) (resid 56 and name HG2#) 5.0 3.2 1.7
assign (resid 59 and name HN) (resid 56 and name HG1#) 5.0 3.2 1.7
assign (resid 59 and name HN) (resid 57 and name HN) 5.0 3.2 0.4
assign (resid 60 and name HN) (resid 56 and name HA) 5.0 3.2 0.2
assign (resid 60 and name HN) (resid 57 and name HA) 5.0 3.2 0.2
assign (resid 60 and name HN) (resid 58 and name HN) 5.0 3.2 0.4
assign (resid 61 and name HN) (resid 59 and name HN) 5.0 3.2 0.4
!very OL loosened to M 11/18
assign (resid 62 and name HN) (resid 59 and name HA) 3.3 1.5 0.2
assign (resid 62 and name HN) (resid 64 and name HN) 5.0 3.2 0.4
assign (resid 63 and name HN) (resid 60 and name HA) 5.0 3.2 0.2
assign (resid 64 and name HN) (resid 61 and name HA) 5.0 3.2 0.2
assign (resid 65 and name HN) (resid 62 and name HA) 3.3 1.5 0.2
!
!added back 9/13
!added 6/18
!rem 11/05 back 11/08 rem again 11/22
!assign (resid 35 and name HN) (resid 33 and name HN) 2.7 0.9 0.4
!added 6/24
assign (resid 61 and name HN) (resid 58 and name HG*) 5.0 3.2 1.2
!switched to M- 7/12 was OL with 23HB1
!rem 10/29  is 40 B- added 10/29
!assign (resid 23 and name HN) (resid 21 and name HA) 3.3 1.5 0.2
!
!
!added 10/4
assign (resid 23 and name HN) (resid 21 and name HG1#) 2.7 0.9 1.7
assign (resid 39 and name HN) (resid 37 and name HG1#) 5.0 3.2 1.7
assign (resid 43 and name HN) (resid 41 and name HG2#) 5.0 3.2 1.7
assign (resid 45 and name HN) (resid 41 and name HG2#) 3.3 1.5 1.7
!rem 10/28 is 46N not 42N I added 42N 10/20
!assign (resid 42 and name HN) (resid 45 and name HB*) 2.7 0.9 1.2
!loosened to W 10/29
!rem 11/05
!assign (resid 35 and name HN) (resid 33 and name HB*) 5.0 3.2 1.2
!
!15n restraints
assign (resid 22 and name HN) (resid 41 and name HA) 3.3 1.5 0.2
assign (resid 23 and name HN) (resid 41 and name HA) 5.0 3.2 0.2
assign (resid 24 and name HN) (resid 37 and name HG1#) 5.0 3.2 1.7
!changed 9/7 from W to VW 
assign (resid 24 and name HN) (resid 56 and name HG1#) 6.0 4.2 1.7
assign (resid 27 and name HN) (resid 36 and name HN) 5.0 3.2 0.4
assign (resid 27 and name HN) (resid 37 and name HA) 5.0 3.2 0.2
assign (resid 27 and name HN) (resid 37 and name HG1#) 3.3 1.5 1.7
assign (resid 36 and name HN) (resid 27 and name HB*) 3.3 1.5 1.2
assign (resid 37 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
assign (resid 37 and name HN) (resid 56 and name HG1#) 5.0 3.2 1.7
assign (resid 38 and name HN) (resid 25 and name HN) 3.3 1.5 0.4
assign (resid 38 and name HN) (resid 26 and name HA) 5.0 3.2 0.2
assign (resid 39 and name HN) (resid 47 and name HN) 3.3 1.5 0.4
assign (resid 39 and name HN) (resid 48 and name HA) 3.3 1.5 0.2
assign (resid 40 and name HN) (resid 23 and name HN) 3.3 1.5 0.4
assign (resid 47 and name HN) (resid 40 and name HA) 3.3 1.5 0.2
assign (resid 49 and name HN) (resid 37 and name HB) 3.3 1.5 0.2
assign (resid 49 and name HN) (resid 37 and name HG1#) 5.0 3.2 1.7
assign (resid 49 and name HN) (resid 37 and name HN) 3.3 1.5 0.4
assign (resid 49 and name HN) (resid 38 and name HA) 3.3 1.5 0.2
assign (resid 49 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
assign (resid 49 and name HN) (resid 56 and name HG1#) 5.0 3.2 1.7
assign (resid 50 and name HN) (resid 56 and name HG2#) 3.3 1.5 1.7
assign (resid 50 and name HN) (resid 56 and name HG1#) 5.0 3.2 1.7
!
!
!added in 10/4 from nulls based on 3d H2O NOESY and structure 
assign (resid 23 and name HN) (resid 63 and name HD1#) 5.0 3.2 1.7
!rem 11/05
!assign (resid 27 and name HN) (resid 35 and name HB#) 5.0 3.2 1.7
assign (resid 41 and name HN) (resid 16 and name HD#) 5.0 3.2 1.7
!changed to 12HG** 11/04
assign (resid 48 and name HN) (resid 12 and name HG**) 3.3 1.5 2.7
!assign (resid 48 and name HN) (resid 12 and name HG2#) 3.3 1.5 1.7
!
!added 6/18
assign (resid 60 and name HN) (resid 39 and name HE*) 5.0 3.2 1.2
!added 6/18
assign (resid 60 and name HN) (resid 39 and name HZ) 5.0 3.2 0.2
assign (resid 55 and name HE1) (resid 12 and name HG2#) 3.3 1.5 1.5
assign (resid 54 and name HN) (resid 55 and name HD1) 5.0 3.2 0.2
assign (resid 56 and name HN) (resid 55 and name HD1) 5.0 3.2 0.2
!removed 8/30 dup
!assign (resid 56 and name HN) (resid 55 and name HD1) 5.0 3.2 0.2
!55HE1
assign (resid 55 and name HE1) (resid 55 and name HD1) 2.7 0.9 0.0
assign (resid 55 and name HE1) (resid 55 and name HZ2) 2.7 0.9 0.0
!
!added 10/20
assign (resid 43 and name HN) (resid 42 and name HA) 3.3 1.5 0.2
assign (resid 42 and name HN) (resid 22 and name HG2#) 3.3 1.5 1.7
assign (resid 42 and name HN) (resid 22 and name HG1#) 3.3 1.5 1.7
assign (resid 42 and name HN) (resid 41 and name HG2#) 3.3 1.5 1.7
assign (resid 42 and name HN) (resid 42 and name HG*) 2.7 0.9 1.2
assign (resid 42 and name HN) (resid 42 and name HA) 2.7 0.9 0.2
assign (resid 42 and name HN) (resid 41 and name HA) 2.7 0.9 0.2
assign (resid 70 and name HN) (resid 69 and name HB*) 5.0 3.2 1.2
assign (resid 28 and name HN) (resid 38 and name HD#) 5.0 3.2 1.7
!
!added 10/29 was assigned as 21a but simul noesy says 40b
assign (resid 23 and name HN) (resid 40 and name HB) 3.3 1.5 0.2
!added 11/12
assign (resid 43 and name HN) (resid 42 and name HN) 3.3 1.5 0.4
assign (resid 43 and name HN) (resid 41 and name HA) 5.0 3.2 0.2
assign (resid 42 and name HN) (resid 22 and name HN) 5.0 3.2 0.4
!rem 11/14 for now loosen to W 11/15
assign (resid 42 and name HN) (resid 41 and name HN) 5.0 3.2 0.4
assign (resid 41 and name HN) (resid 22 and name HN) 5.0 3.2 0.4
assign (resid 44 and name HN) (resid 43 and name HG*) 5.0 3.2 1.2
assign (resid 44 and name HN) (resid 40 and name HG2#) 5.0 3.2 1.7
assign (resid 44 and name HN) (resid 41 and name HG2#) 5.0 3.2 1.7
assign (resid 23 and name HN) (resid 40 and name HG2#) 5.0 3.2 1.7
assign (resid 8 and name HN) (resid 38 and name HD#) 5.0 3.2 1.7
assign (resid 27 and name HN) (resid 38 and name HD#) 3.3 1.5 1.7
assign (resid 39 and name HN) (resid 38 and name HG1*) 5.0 3.2 1.2
assign (resid 41 and name HN) (resid 22 and name HG2#) 3.3 1.5 1.7
assign (resid 32 and name HN) (resid 29 and name HG*) 5.0 3.2 1.2
assign (resid 37 and name HN) (resid 11 and name HE*) 5.0 3.2 2.2
!added back from removed list 11/09
assign (resid 12 and name HN) (resid 49 and name HA*) 5.0 3.2 0.2
assign (resid 47 and name HN) (resid 39 and name HB*) 5.0 3.2 0.2
!added 11/18
assign (resid 8 and name HN) (resid 27 and name HB*) 5.0 3.2 1.2
!switched from 26g to 26b 12/08 by spectrum and changedto M
assign (resid 27 and name HN) (resid 26 and name HB*) 3.3 1.5 1.2
assign (resid 41 and name HN) (resid 21 and name HG1#) 5.0 3.2 1.7
assign (resid 50 and name HN) (resid 12 and name HG**) 5.0 3.2 2.7
assign (resid 52 and name HN) (resid 52 and name HG*) 2.7 0.9 1.2
assign (resid 53 and name HN) (resid 52 and name HG*) 5.0 3.2 1.2
!added 11/29
assign (resid 29 and name HN) (resid 35 and name HB#) 5.0 3.2 1.7
assign (resid 31 and name HN) (resid 29 and name HB*) 5.0 3.2 1.2
assign (resid 31 and name HN) (resid 29 and name HG*) 5.0 3.2 1.2
assign (resid 32 and name HN) (resid 29 and name HB*) 5.0 3.2 1.2
!added 11/30
assign (resid 48 and name HN) (resid 38 and name HG2#) 5.0 3.2 1.7
!added 12/06
assign (resid 11 and name HN) (resid 11 and name HD*) 5.0 3.2 2.2
assign (resid 12 and name HN) (resid 11 and name HD*) 3.3 1.5 2.2
assign (resid 34 and name HN) (resid 34 and name HB*) 2.7 0.9 1.2
!added 12/07
assign (resid 34 and name HN) (resid 33 and name HD**) 5.0 3.2 2.7
!added 12/08 were s.b. added 1203b
assign (resid 24 and name HN) (resid 63 and name HD1#) 3.3 1.5 1.7
assign (resid 18 and name HN) (resid 21 and name HG2#) 3.3 1.5 1.7
assign (resid 37 and name HN) (resid 51 and name HA) 5.0 3.2 0.2
assign (resid 41 and name HN) (resid 46 and name HB*) 5.0 3.2 1.2
assign (resid 38 and name HN) (resid 26 and name HD2#) 3.3 1.5 1.7
!added 12/13
assign (resid 55 and name HE1) (resid 15 and name HA) 3.3 1.5 0.2
assign (resid 55 and name HE1) (resid 15 and name HB*) 3.3 1.5 1.2
assign (resid 55 and name HE1) (resid 53 and name HB*) 3.3 1.5 1.2
assign (resid 55 and name HE1) (resid 53 and name HG*) 3.3 1.5 1.2
assign (resid 10 and name HN) (resid 10 and name HB1) 3.3 1.5 0.2
assign (resid 10 and name HN) (resid 10 and name HB2) 5.0 3.2 0.2
!loosen to M 12/15
assign (resid 20 and name HN) (resid 20 and name HB1) 3.3 1.5 0.2
assign (resid 20 and name HN) (resid 20 and name HB2) 2.7 0.9 0.2
assign (resid 21 and name HN) (resid 20 and name HB2) 3.3 1.5 0.2
assign (resid 24 and name HN) (resid 24 and name HB1) 5.0 3.2 0.2
assign (resid 24 and name HN) (resid 24 and name HB2) 3.3 1.5 0.2
assign (resid 55 and name HN) (resid 55 and name HB1) 2.7 0.9 0.2
assign (resid 55 and name HN) (resid 55 and name HB2) 3.3 1.5 0.2
!loosen to W 12/16
assign (resid 60 and name HN) (resid 60 and name HB1) 3.3 1.5 0.2
assign (resid 64 and name HN) (resid 63 and name HB1) 3.3 1.5 0.2
assign (resid 64 and name HN) (resid 63 and name HB2) 3.3 1.5 0.2
assign (resid 63 and name HN) (resid 63 and name HB1) 3.3 1.5 0.2
assign (resid 63 and name HN) (resid 63 and name HB2) 3.3 1.5 0.2


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