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
	28037	2wcc	cing	1-original	1	XPLOR/CNS	distance	NOE	ambi

! NOTE: upper limit distances were calibrated manually based on .ps file with calibration data
! /auto_nfs/data8/users/fadeev/data/fadeev/nmr/6IntDNA_13CNOESY/3/calibration-data.ps 

! HA@R9-HD1@R9,HD2@R9 from AtnosCalc2_cnoe_d2o.nter.PCK  intensity 710000
assign !4.19e5 d2o
(
	( resid 9 and name HD2 ) or 
	( resid 9 and name HD1 )
)
(
	( resid 9 and name HA )
)
5.0 3.2 0.00
! HB1@R9,HB2@R9-HG@L12 from AtnosCalc2_cnoe_d2o.nter.PCK  intensity 597000
assign !6.53e5 d2o
(
	( resid 9 and name HB2 ) or 
	( resid 9 and name HB1 )
)
(
	( resid 12 and name HG )
)
5.5 3.7 0.00
! HD1@R9,HD2@R9-HG1@R9,HG2@R9 from AtnosCalc2_cnoe_d2o.nter.PCK  intensity 513000
assign 
(
	( resid 9 and name HG2 ) or 
	( resid 9 and name HG1 )
)
(
	( resid 9 and name HD2 ) or 
	( resid 9 and name HD1 )
)
5.5 3.7 0.00
! HA@E8-HG1@E8,HG2@E8 from AtnosCalc2_cnoe_d2o.nter.PCK  intensity 3680000
assign !2.30e6 d2o
(
	( resid 8 and name HA )
)
(
	( resid 8 and name HG2 ) or 
	( resid 8 and name HG1 )
)
3.5 1.7 0.00
! HD1@R9,HD2@R9-HG21@I18,HG22@I18,HG23@I18 from AtnosCalc2_cnoe_d2o.nter.PCK  intensity 1910000
!assign !9.41e5 d2o
!(!removed because of conflict with many contacts by Arg9-Leu12
!	( resid 9 and name HD2 ) or 
!	( resid 9 and name HD1 )
!)
!(
!	( resid 18 and name HG21 ) or 
!	( resid 18 and name HG22 ) or 
!	( resid 18 and name HG23 )
!)
!4.4 2.6 0.00
! HA@H7-HB1@H7,HB2@H7 from AtnosCalc2_cnoe_d2o.nter.PCK  intensity 2320000
assign !9.93e5 d2o
(
	( resid 7 and name HA )
)
(
	( resid 7 and name HB2 ) or 
	( resid 7 and name HB1 )
)
4.1 2.3 0.00
! HB1@R9,HB2@R9-HD1@R9,HD2@R9 from AtnosCalc2_cnoe_d2o.nter.PCK  intensity 576000
assign !3.73e5 d2o
(
	( resid 9 and name HB2 ) or 
	( resid 9 and name HB1 )
)
(
	( resid 9 and name HD2 ) or 
	( resid 9 and name HD1 )
)
5.5 3.7 0.00
! HD1@R9,HD2@R9-HG@L12 from AtnosCalc2_cnoe_d2o.nter.PCK  intensity 978000
assign !6.53e5 d2o
(
	( resid 9 and name HD2 ) or 
	( resid 9 and name HD1 )
)
(
	( resid 12 and name HG )
)
4.8 3.0 0.00
! HA@R9-HG1@R9,HG2@R9 from AtnosCalc2_cnoe_d2o.nter.PCK  intensity 747000
assign !4.5e5 d2o
(
	( resid 9 and name HG2 ) or 
	( resid 9 and name HG1 )
)
(
	( resid 9 and name HA )
)
5.0 3.2 0.00
! HA@R9-HG@L12 from AtnosCalc2_cnoe_d2o.nter.PCK  intensity 913000
assign !5.6e5 d2o
(
	( resid 9 and name HA )
)
(
	( resid 12 and name HG )
)
4.7 2.9 0.00
! HA@R9-HB1@R9,HB2@R9 from AtnosCalc2_cnoe_d2o.nter.PCK  intensity 534000
assign !5.55e5 d2o
(
	( resid 9 and name HB2 ) or 
	( resid 9 and name HB1 )
)
(
	( resid 9 and name HA )
)
5.5 3.7 0.00
assign
(
	( resid 12 and name HD* )
)
(
	( resid 11 and name HN )
)
5.20 3.40 0.00
assign
(
	( resid 12 and name HG )
)
(
	( resid 17 and name HA )
)
6.00 4.20 0.00
assign
(
	( resid 9 and name HD2 ) or 
	( resid 9 and name HD1 )
)
(
	( resid 9 and name HN )
)
5.20 3.40 0.00
assign
(
	( resid 33 and name HG# )
)
(
	( resid 32 and name HN )
)
6.00 4.20 0.00
assign
(
	( resid 8 and name HB2 ) or 
	( resid 8 and name HB1 )
)
(
	( resid 8 and name HN )
)
3.50 1.70 0.00
assign
(
	( resid 8 and name HG2 ) or 
	( resid 8 and name HG1 )
)
(
	( resid 9 and name HN )
)
3.50 1.70 0.00
assign
(
	( resid 3 and name HB2 ) or 
	( resid 3 and name HB1 )
)
(
	( resid 3 and name HN )
)
5.20 3.40 0.00
assign
(
	( resid 10 and name HA )
)
(
	( resid 10 and name HD2 ) or 
	( resid 10 and name HD1 )
)
3.30 1.50 0.00
assign
(
	( resid 10 and name HA )
)
(
	( resid 11 and name HN )
)
3.50 1.70 0.00
assign
(
	( resid 10 and name HB2 ) or 
	( resid 10 and name HB1 )
)
(
	( resid 11 and name HN )
)
5.20 3.40 0.00
assign
(
	( resid 7 and name HD2 )
)
(
	( resid 8 and name HG# )
)
6.00 4.20 0.00
assign
(
	( resid 12 and name HG )
)
(
	( resid 18 and name HN )
)
5.20 3.40 0.00
assign
(
	( resid 7 and name HA )
)
(
	( resid 10 and name HB# )
)
2.70 0.90 0.00
assign
(
	( resid 10 and name HB2 ) or 
	( resid 10 and name HB1 )
)
(
	( resid 10 and name HN )
)
2.90 1.10 0.00
assign
(
	( resid 10 and name HA )
)
(
	( resid 9 and name HN )
)
5.20 3.40 0.00
assign
(
	( resid 10 and name HG# )
)
(
	( resid 10 and name HN )
)
3.50 1.70 0.00
assign
(
	( resid 1 and name HB# )
)
(
	( resid 2 and name HA# )
)
5.00 3.20 0.00
assign
(
	( resid 8 and name HG2 ) or 
	( resid 8 and name HG1 )
)
(
	( resid 8 and name HN )
)
4.60 2.80 0.00
assign
(
	( resid 8 and name HA )
)
(
	( resid 9 and name HN )
)
3.50 1.70 0.00
assign
(
	( resid 7 and name HB2 ) or 
	( resid 7 and name HB1 )
)
(
	( resid 8 and name HN )
)
3.50 1.70 0.00
assign
(
	( resid 11 and name HB2 ) or 
	( resid 11 and name HB1 )
)
(
	( resid 12 and name HN )
)
6.00 4.20 0.00
assign
(
	( resid 12 and name HG )
)
(
	( resid 9 and name HN )
)
5.20 3.40 0.00
assign
(
	( resid 12 and name HG )
)
(
	( resid 13 and name HD# )
)
5.00 3.20 0.00
!command line that created this file
!nut-dev -calibrate -tbl nnoe.noe-nter.tbl -bin -xplor -seq $int/seq -keepcov > nnoe.nter.calibrated.tbl
!~fadeev/bin/source/nut/nut-dev v1.6

! HA@E8-HN@D11 from nnoe upper limit distance 6.00, intensity 130000
assign
(
	( resid 11 and name HN )
)
(
	( resid 8 and name HA )
)
6.00 4.20 0.00
! HA@R3-HN@R3 from nnoe upper limit distance 3.50, intensity 570000
assign
(
	( resid 3 and name HA )
)
(
	( resid 3 and name HN )
)
3.50 1.70 0.00
! HN@R4-HN@R5 from nnoe upper limit distance 6.00, intensity 136000
assign
(
	( resid 4 and name HN )
)
(
	( resid 5 and name HN )
)
6.00 4.20 0.00
! HN@R9-HN@S6 from nnoe upper limit distance 6.00, intensity 100000
assign
(
	( resid 6 and name HN )
)
(
	( resid 9 and name HN )
)
6.00 4.20 0.00
! HD1@R9,HD2@R9-HN@R9 from nnoe upper limit distance 5.20, intensity 170000
assign
(
	( resid 9 and name HD2 ) or 
	( resid 9 and name HD1 )
)
(
	( resid 9 and name HN )
)
5.20 3.40 0.00
! HD#@R9-HN@L12 from nnoe upper limit distance 5.20, intensity 143000
assign
(
	( resid 12 and name HN )
)
(
	( resid 9 and name HD# )
)
5.20 3.40 0.00
! HN@D11-HN@R9 from nnoe upper limit distance 6.00, intensity 96800
assign
(
	( resid 9 and name HN )
)
(
	( resid 11 and name HN )
)
6.00 4.20 0.00
! HG1@R9,HG2@R9-HN@R9 from nnoe upper limit distance 3.50, intensity 591000
assign
(
	( resid 9 and name HG2 ) or 
	( resid 9 and name HG1 )
)
(
	( resid 9 and name HN )
)
3.50 1.70 0.00
! HB1@R3,HB2@R3-HN@R3 from nnoe upper limit distance 2.90, intensity 1050000
assign
(
	( resid 3 and name HB2 ) or 
	( resid 3 and name HB1 )
)
(
	( resid 3 and name HN )
)
2.90 1.10 0.00
! HA@R10-HN@D11 from nnoe upper limit distance 3.50, intensity 420000
assign
(
	( resid 10 and name HA )
)
(
	( resid 11 and name HN )
)
3.50 1.70 0.00
! HA1@G2,HA2@G2-HN@R3 from nnoe upper limit distance 3.50, intensity 414000
assign
(
	( resid 2 and name HA2 ) or 
	( resid 2 and name HA1 )
)
(
	( resid 3 and name HN )
)
3.50 1.70 0.00
! HN@G2-HN@R3 from nnoe upper limit distance 5.40, intensity 159000
assign
(
	( resid 2 and name HN )
)
(
	( resid 3 and name HN )
)
5.40 3.60 0.00
! HA1@G2,HA2@G2-HN@G2 from nnoe upper limit distance 2.90, intensity 1530000
assign
(
	( resid 2 and name HA2 ) or 
	( resid 2 and name HA1 )
)
(
	( resid 2 and name HN )
)
2.90 1.10 0.00
! HA@R9-HN@S6 from nnoe upper limit distance 5.20, intensity 220000
assign
(
	( resid 6 and name HN )
)
(
	( resid 9 and name HA )
)
5.20 3.40 0.00
! HN@D28-HN@K33 from nnoe upper limit distance 3.70, intensity 399000
assign
(
	( resid 28 and name HN )
)
(
	( resid 33 and name HN )
)
3.70 1.90 0.00
! HG@L12-HN@D11 from nnoe upper limit distance 6.00, intensity 114000
assign
(
	( resid 11 and name HN )
)
(
	( resid 12 and name HG )
)
6.00 4.20 0.00
! HN@E8-HN@R10 from nnoe upper limit distance 6.00, intensity 77300
assign
(
	( resid 10 and name HN )
)
(
	( resid 8 and name HN )
)
6.00 4.20 0.00
! HG1@E8,HG2@E8-HN@E8 from nnoe upper limit distance 3.50, intensity 301000
assign
(
	( resid 8 and name HG2 ) or 
	( resid 8 and name HG1 )
)
(
	( resid 8 and name HN )
)
3.50 1.70 0.00
! HB1@R9,HB2@R9-HN@R9 from nnoe upper limit distance 3.50, intensity 418000
assign
(
	( resid 9 and name HB2 ) or 
	( resid 9 and name HB1 )
)
(
	( resid 9 and name HN )
)
3.50 1.70 0.00
! HA@P14-HN@L16 from nnoe upper limit distance 3.50, intensity 662000
assign
(
	( resid 14 and name HA )
)
(
	( resid 16 and name HN )
)
3.50 1.70 0.00
! HG#@E8-HN@D11 from nnoe upper limit distance 6.00, intensity 86000
assign
(
	( resid 11 and name HN )
)
(
	( resid 8 and name HG# )
)
6.00 4.20 0.00
! HB1@M1,HB2@M1-HN@G2 from nnoe upper limit distance 3.50, intensity 510000
assign
(
	( resid 1 and name HB2 ) or 
	( resid 1 and name HB1 )
)
(
	( resid 2 and name HN )
)
3.50 1.70 0.00
! HN@E8-HN@R9 from nnoe upper limit distance 3.70, intensity 360000
assign
(
	( resid 9 and name HN )
)
(
	( resid 8 and name HN )
)
3.70 1.90 0.00
! HA@P14-HN@N15 from nnoe upper limit distance 2.90, intensity 3630000
assign
(
	( resid 14 and name HA )
)
(
	( resid 15 and name HN )
)
2.90 1.10 0.00
! HG1@M1,HG2@M1-HN@G2 from nnoe upper limit distance 5.20, intensity 260000
assign
(
	( resid 1 and name HG2 ) or 
	( resid 1 and name HG1 )
)
(
	( resid 2 and name HN )
)
5.20 3.40 0.00
! HN@R5-HN@S6 from nnoe upper limit distance 5.40, intensity 188000
assign
(
	( resid 6 and name HN )
)
(
	( resid 5 and name HN )
)
5.40 3.60 0.00
! HE@R39-HN@G38 from nnoe upper limit distance 5.20, intensity 198000
assign
(
	( resid 39 and name HE )
)
(
	( resid 38 and name HN )
)
5.20 3.40 0.00
! HB1@R10,HB2@R10-HN@D11 from nnoe upper limit distance 2.90, intensity 719000
assign
(
	( resid 10 and name HB2 ) or 
	( resid 10 and name HB1 )
)
(
	( resid 11 and name HN )
)
2.90 1.10 0.00
! HA@H7-HN@H7 from nnoe upper limit distance 5.20, intensity 233000
assign
(
	( resid 7 and name HA )
)
(
	( resid 7 and name HN )
)
5.20 3.40 0.00
! HN@G22-HN@R19 from nnoe upper limit distance 5.40, intensity 211000
assign
(
	( resid 22 and name HN )
)
(
	( resid 19 and name HN )
)
5.40 3.60 0.00
! HG1@R3,HG2@R3-HN@R3 from nnoe upper limit distance 5.20, intensity 258000
assign
(
	( resid 3 and name HG2 ) or 
	( resid 3 and name HG1 )
)
(
	( resid 3 and name HN )
)
5.20 3.40 0.00
! HA@S6-HN@H7 from nnoe upper limit distance 5.20, intensity 289000
assign
(
	( resid 6 and name HA )
)
(
	( resid 7 and name HN )
)
5.20 3.40 0.00
! HB#@E8-HN@D11 from nnoe upper limit distance 6.00, intensity 100000
assign
(
	( resid 11 and name HN )
)
(
	( resid 8 and name HB# )
)
6.00 4.20 0.00
! HN@F35-HN@G36 from nnoe upper limit distance 6.00, intensity 109000
assign
(
	( resid 36 and name HN )
)
(
	( resid 35 and name HN )
)
6.00 4.20 0.00
! HB#@R5-HN@S6 from nnoe upper limit distance 5.20, intensity 299000
assign
(
	( resid 6 and name HN )
)
(
	( resid 5 and name HB# )
)
5.20 3.40 0.00
! HA@M1-HN@G2 from nnoe upper limit distance 2.90, intensity 2320000
assign
(
	( resid 1 and name HA )
)
(
	( resid 2 and name HN )
)
2.90 1.10 0.00
! HA@E8-HN@R10 from nnoe upper limit distance 3.50, intensity 351000
assign
(
	( resid 10 and name HN )
)
(
	( resid 8 and name HA )
)
3.50 1.70 0.00
! HN@R19-HN@Y23 from nnoe upper limit distance 3.10, intensity 713000
assign
(
	( resid 23 and name HN )
)
(
	( resid 19 and name HN )
)
3.10 1.30 0.00
! HN@C25-HN@Y17 from nnoe upper limit distance 3.70, intensity 605000
assign
(
	( resid 25 and name HN )
)
(
	( resid 17 and name HN )
)
3.70 1.90 0.00
! HN@R10-HN@R9 from nnoe upper limit distance 3.10, intensity 1250000
assign
(
	( resid 9 and name HN )
)
(
	( resid 10 and name HN )
)
3.10 1.30 0.00
! HG@L12-HN@R9 from nnoe upper limit distance 5.20, intensity 149000
assign
(
	( resid 9 and name HN )
)
(
	( resid 12 and name HG )
)
5.20 3.40 0.00
! HA@R9-HN@R9 from nnoe upper limit distance 2.90, intensity 798000
assign
(
	( resid 9 and name HA )
)
(
	( resid 9 and name HN )
)
2.90 1.10 0.00
! HN@L37-HN@Y26 from nnoe upper limit distance 5.40, intensity 222000
assign
(
	( resid 26 and name HN )
)
(
	( resid 37 and name HN )
)
5.40 3.60 0.00
! HN@D11-HN@R10 from nnoe upper limit distance 3.70, intensity 514000
assign
(
	( resid 11 and name HN )
)
(
	( resid 10 and name HN )
)
3.70 1.90 0.00
! HA@R9-HN@R10 from nnoe upper limit distance 3.50, intensity 484000
assign
(
	( resid 9 and name HA )
)
(
	( resid 10 and name HN )
)
3.50 1.70 0.00
! HD#@R9-HN@S6 from nnoe upper limit distance 5.20, intensity 180000
assign
(
	( resid 6 and name HN )
)
(
	( resid 9 and name HD# )
)
5.20 3.40 0.00
assign ((residue 43 and name HA))
	((residue 43 and name HG11) or 
	(residue 43 and name HG12)) 3.60 1.80 0.00

assign ((residue 42 and name HG2) or 
	(residue 42 and name HG1))
	((residue 42 and name HD2) or 
	(residue 42 and name HD1)) 3.01 1.21 0.00

assign ((residue 54 and name HB1) or 
	(residue 54 and name HB2))
	((residue 55 and name HG)) 4.95 3.15 0.00

assign ((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11))
	((residue 47 and name HG1) or 
	(residue 47 and name HG2)) 3.80 2.00 0.00

assign ((residue 18 and name HG11) or 
	(residue 18 and name HG12))
	((residue 22 and name HA2) or 
	(residue 22 and name HA1)) 4.70 2.90 0.00

assign ((residue 43 and name HB))
	((residue 43 and name HD13) or 
	(residue 43 and name HD12) or 
	(residue 43 and name HD11)) 3.17 1.37 0.00

assign ((residue 18 and name HG23) or 
	(residue 18 and name HG21) or 
	(residue 18 and name HG22))
	((residue 19 and name HN)) 4.36 2.56 0.00

assign ((residue 50 and name HA))
	((residue 53 and name HN)) 4.05 2.25 0.00

assign ((residue 12 and name HA))
	((residue 13 and name HD2) or 
	(residue 13 and name HD1)) 3.68 1.88 0.00

assign ((residue 37 and name HB1) or 
	(residue 37 and name HB2))
	((residue 44 and name HA)) 3.66 1.86 0.00

assign ((residue 11 and name HB2) or 
	(residue 11 and name HB1))
	((residue 12 and name HN)) 5.50 3.70 0.00

assign ((residue 45 and name HA))
	((residue 45 and name HG22) or 
	(residue 45 and name HG23) or 
	(residue 45 and name HG21)) 3.50 1.70 0.00

assign ((residue 30 and name HN))
	((residue 30 and name HB2) or 
	(residue 30 and name HB1)) 4.19 2.39 0.00

assign (residue 16 and name HD2#)
	((residue 25 and name HN)) 4.76 2.96 0.00

assign ((residue 18 and name HD13) or 
	(residue 18 and name HD12) or 
	(residue 18 and name HD11))
	((residue 24 and name HD1) or 
	(residue 24 and name HD2)) 5.00 3.20 0.00

assign ((residue 18 and name HB))
	((residue 24 and name HE2) or 
	(residue 24 and name HE1)) 4.81 3.01 0.00

assign ((residue 40 and name HA))
	((residue 42 and name HN)) 4.32 2.52 0.00

assign ((residue 51 and name HA))
	((residue 54 and name HB1) or 
	(residue 54 and name HB2)) 4.99 3.19 0.00

assign ((residue 34 and name HA))
	((residue 35 and name HN)) 3.60 1.80 0.00

!assign ((residue 13 and name HG2) or 
!	(residue 13 and name HG1))
!	((residue 16 and name HB2) or 
!	(residue 16 and name HB1)) 2.98 1.18 0.00

assign ((residue 63 and name HB1) or 
	(residue 63 and name HB2))
	((residue 64 and name HN)) 4.16 2.36 0.00

assign ((residue 54 and name HA))
	((residue 55 and name HN)) 3.57 1.77 0.00

assign ((residue 51 and name HB2) or 
	(residue 51 and name HB1) or 
	(residue 51 and name HB3))
	((residue 52 and name HN)) 3.47 1.67 0.00

assign ((residue 30 and name HA))
	((residue 30 and name HD1) or 
	(residue 30 and name HD2)) 4.34 2.54 0.00

assign ((residue 15 and name HN))
	((residue 16 and name HN)) 3.99 2.19 0.00

!assign ((residue 33 and name HA))
!	((residue 33 and name HE1) or 
!	(residue 33 and name HE2)) 4.93 3.13 0.00

assign ((residue 37 and name HN))
	((residue 38 and name HN)) 3.79 1.99 0.00

assign ((residue 40 and name HB2) or 
	(residue 40 and name HB1))
	((residue 43 and name HB)) 3.75 1.95 0.00

assign ((residue 55 and name HB2) or 
	(residue 55 and name HB1))
	((residue 57 and name HN)) 5.50 3.70 0.00

assign ((residue 54 and name HB1) or 
	(residue 54 and name HB2))
	((residue 55 and name HN)) 4.21 2.41 0.00

assign ((residue 29 and name HD1) or 
	(residue 29 and name HD2))
	((residue 55 and name HD22) or 
	(residue 55 and name HD12) or 
	(residue 55 and name HD13) or 
	(residue 55 and name HD21) or 
	(residue 55 and name HD11) or 
	(residue 55 and name HD23)) 3.68 1.88 0.00

assign ((residue 29 and name HG2) or 
	(residue 29 and name HG1))
	((residue 30 and name HN)) 4.50 2.70 0.00

assign ((residue 26 and name HN))
	((residue 37 and name HG)) 4.91 3.11 0.00

assign ((residue 16 and name HA))
	((residue 27 and name HN)) 5.06 3.26 0.00

assign ((residue 63 and name HA))
	((residue 64 and name HN)) 2.63 0.83 0.00

assign ((residue 13 and name HB1) or 
	(residue 13 and name HB2))
	((residue 49 and name HD12) or 
	(residue 49 and name HD11) or 
	(residue 49 and name HD13)) 3.98 2.18 0.00

assign ((residue 29 and name HD1) or 
	(residue 29 and name HD2))
	((residue 30 and name HN)) 4.42 2.62 0.00

assign ((residue 23 and name HD2) or 
	(residue 23 and name HD1))
	((residue 39 and name HD2) or 
	(residue 39 and name HD1)) 5.06 3.26 0.00

assign ((residue 54 and name HA))
	((residue 54 and name HB1) or 
	(residue 54 and name HB2)) 2.93 1.13 0.00

assign ((residue 24 and name HB1) or 
	(residue 24 and name HB2))
	((residue 37 and name HB1) or 
	(residue 37 and name HB2)) 4.54 2.74 0.00

assign ((residue 41 and name HN))
	((residue 42 and name HN)) 4.00 2.20 0.00

assign ((residue 53 and name HD12) or 
	(residue 53 and name HD11) or 
	(residue 53 and name HD13))
	((residue 56 and name HN)) 5.50 3.70 0.00

!assign ((residue 31 and name HB))
!	((residue 33 and name HD2) or 
!	(residue 33 and name HD1)) 4.75 2.95 0.00

assign ((residue 12 and name HD23) or 
	(residue 12 and name HD11) or 
	(residue 12 and name HD12) or 
	(residue 12 and name HD22) or 
	(residue 12 and name HD13) or 
	(residue 12 and name HD21))
	((residue 24 and name HD1) or 
	(residue 24 and name HD2)) 4.92 3.12 0.00

assign ((residue 39 and name HA))
	((residue 39 and name HD2) or 
	(residue 39 and name HD1)) 4.68 2.88 0.00

assign ((residue 23 and name HD2) or 
	(residue 23 and name HD1))
	((residue 25 and name HA)) 5.03 3.23 0.00

assign ((residue 27 and name HA))
	((residue 34 and name HN)) 5.50 3.70 0.00

assign ((residue 59 and name HB2) or 
	(residue 59 and name HB1))
	((residue 60 and name HA)) 4.43 2.63 0.00

assign ((residue 55 and name HB2) or 
	(residue 55 and name HB1))
	((residue 55 and name HD22) or 
	(residue 55 and name HD12) or 
	(residue 55 and name HD13) or 
	(residue 55 and name HD21) or 
	(residue 55 and name HD11) or 
	(residue 55 and name HD23)) 2.89 1.09 0.00

assign ((residue 51 and name HA))
	((residue 54 and name HG1) or 
	(residue 54 and name HG2)) 3.36 1.56 0.00

assign ((residue 12 and name HA))
	((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22)) 4.85 3.05 0.00

assign ((residue 24 and name HN))
	((residue 25 and name HN)) 5.35 3.55 0.00

!assign ((residue 33 and name HA))
!	((residue 34 and name HB1) or 
!	(residue 34 and name HB2)) 4.75 2.95 0.00

assign ((residue 53 and name HG12) or 
	(residue 53 and name HG11))
	((residue 54 and name HG1) or 
	(residue 54 and name HG2)) 5.05 3.25 0.00

assign ((residue 43 and name HG23) or 
	(residue 43 and name HG21) or 
	(residue 43 and name HG22))
	((residue 47 and name HG1) or 
	(residue 47 and name HG2)) 3.36 1.56 0.00

assign ((residue 49 and name HG12) or 
	(residue 49 and name HG11))
	((residue 50 and name HN)) 4.98 3.18 0.00

assign ((residue 46 and name HB))
	((residue 47 and name HG1) or 
	(residue 47 and name HG2)) 4.87 3.07 0.00

assign ((residue 12 and name HG))
	((residue 17 and name HA)) 5.19 3.39 0.00

assign ((residue 30 and name HA))
	((residue 30 and name HG1) or 
	(residue 30 and name HG2)) 4.04 2.24 0.00

assign ((residue 24 and name HD1) or 
	(residue 24 and name HD2))
	((residue 40 and name HN)) 5.19 3.39 0.00

assign ((residue 55 and name HN))
	((residue 55 and name HD22) or 
	(residue 55 and name HD12) or 
	(residue 55 and name HD13) or 
	(residue 55 and name HD21) or 
	(residue 55 and name HD11) or 
	(residue 55 and name HD23)) 3.61 1.81 0.00

assign ((residue 53 and name HG21) or 
	(residue 53 and name HG23) or 
	(residue 53 and name HG22))
	((residue 54 and name HA)) 3.91 2.11 0.00

assign ((residue 46 and name HA))
	((residue 49 and name HD12) or 
	(residue 49 and name HD11) or 
	(residue 49 and name HD13)) 3.31 1.51 0.00

assign ((residue 26 and name HA))
	((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11)) 4.85 3.05 0.00

!assign ((residue 31 and name HB))
!	((residue 33 and name HG1) or 
!	(residue 33 and name HG2)) 4.11 2.31 0.00

assign ((residue 23 and name HA))
	((residue 23 and name HD2) or 
	(residue 23 and name HD1)) 3.96 2.16 0.00

assign ((residue 53 and name HN))
	((residue 53 and name HB)) 3.17 1.37 0.00

assign ((residue 50 and name HA))
	((residue 51 and name HN)) 3.32 1.52 0.00

assign ((residue 53 and name HG21) or 
	(residue 53 and name HG23) or 
	(residue 53 and name HG22))
	((residue 54 and name HN)) 3.87 2.07 0.00

assign ((residue 31 and name HG22) or 
	(residue 31 and name HG21) or 
	(residue 31 and name HG23))
	((residue 32 and name HN)) 5.49 3.69 0.00

assign ((residue 24 and name HN))
	((residue 24 and name HD1) or 
	(residue 24 and name HD2)) 3.82 2.02 0.00

assign ((residue 56 and name HN))
	((residue 56 and name HB2) or 
	(residue 56 and name HB1)) 3.15 1.35 0.00

assign ((residue 13 and name HD2) or 
	(residue 13 and name HD1))
	((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22)) 3.65 1.85 0.00

assign ((residue 60 and name HA))
	((residue 60 and name HG1) or 
	(residue 60 and name HG2)) 3.85 2.05 0.00

assign ((residue 30 and name HN))
	((residue 31 and name HA)) 4.72 2.92 0.00

assign ((residue 35 and name HA))
	((residue 36 and name HN)) 3.15 1.35 0.00

assign ((residue 53 and name HA))
	((residue 56 and name HN)) 4.75 2.95 0.00

assign ((residue 17 and name HA))
	((residue 18 and name HN)) 3.62 1.82 0.00

assign ((residue 54 and name HB1) or 
	(residue 54 and name HB2))
	((residue 54 and name HG1) or 
	(residue 54 and name HG2)) 2.81 1.01 0.00

assign ((residue 26 and name HD2) or 
	(residue 26 and name HD1))
	((residue 48 and name HA)) 3.42 1.62 0.00

assign ((residue 51 and name HN))
	((residue 52 and name HB2) or 
	(residue 52 and name HB1)) 5.50 3.70 0.00

assign ((residue 64 and name HN))
	((residue 64 and name HD22) or 
	(residue 64 and name HD13) or 
	(residue 64 and name HD21) or 
	(residue 64 and name HD11) or 
	(residue 64 and name HD23) or 
	(residue 64 and name HD12)) 5.50 3.70 0.00

assign ((residue 26 and name HE#))
	((residue 52 and name HN)) 4.68 2.88 0.00

assign ((residue 49 and name HA))
	((residue 49 and name HG12) or 
	(residue 49 and name HG11)) 3.45 1.65 0.00

!assign ((residue 23 and name HA))
!	((residue 23 and name HE1) or 
!	(residue 23 and name HE2)) 5.12 3.32 0.00

assign ((residue 43 and name HN))
	((residue 43 and name HG23) or 
	(residue 43 and name HG21) or 
	(residue 43 and name HG22)) 3.90 2.10 0.00

assign ((residue 13 and name HD2) or 
	(residue 13 and name HD1))
	((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3)) 5.01 3.21 0.00

assign ((residue 56 and name HB2) or 
	(residue 56 and name HB1))
	((residue 57 and name HN)) 4.93 3.13 0.00

assign ((residue 26 and name HE1) or 
	(residue 26 and name HE2))
	((residue 51 and name HN)) 5.31 3.51 0.00

assign ((residue 57 and name HA))
	((residue 57 and name HB2) or 
	(residue 57 and name HB1)) 2.43 0.63 0.00

assign ((residue 37 and name HN))
	((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11)) 4.36 2.56 0.00

assign ((residue 27 and name HD1) or 
	(residue 27 and name HD2))
	((residue 34 and name HG2) or 
	(residue 34 and name HG1)) 5.16 3.36 0.00

assign ((residue 42 and name HB2) or 
	(residue 42 and name HB1))
	((residue 42 and name HG2) or 
	(residue 42 and name HG1)) 3.04 1.24 0.00

assign ((residue 39 and name HN))
	((residue 39 and name HG1) or 
	(residue 39 and name HG2)) 4.09 2.29 0.00

assign ((residue 30 and name HD1) or 
	(residue 30 and name HD2))
	((residue 55 and name HD22) or 
	(residue 55 and name HD12) or 
	(residue 55 and name HD13) or 
	(residue 55 and name HD21) or 
	(residue 55 and name HD11) or 
	(residue 55 and name HD23)) 4.43 2.63 0.00

assign ((residue 30 and name HB2) or 
	(residue 30 and name HB1))
	((residue 30 and name HD1) or 
	(residue 30 and name HD2)) 3.67 1.87 0.00

assign ((residue 26 and name HD2) or 
	(residue 26 and name HD1))
	((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11)) 4.43 2.63 0.00

assign ((residue 51 and name HB2) or 
	(residue 51 and name HB1) or 
	(residue 51 and name HB3))
	((residue 52 and name HA)) 4.88 3.08 0.00

assign ((residue 23 and name HA))
	((residue 39 and name HB1) or 
	(residue 39 and name HB2)) 3.73 1.93 0.00

assign ((residue 41 and name HB1) or 
	(residue 41 and name HB2))
	((residue 42 and name HA)) 4.58 2.78 0.00

assign ((residue 43 and name HN))
	((residue 43 and name HG11) or 
	(residue 43 and name HG12)) 3.65 1.85 0.00

assign ((residue 50 and name HG2) or 
	(residue 50 and name HG1))
	((residue 50 and name HE21) or 
	(residue 50 and name HE22)) 3.00 1.20 0.00

assign ((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22))
	((residue 24 and name HN)) 4.49 2.69 0.00

assign ((residue 19 and name HA))
	((residue 20 and name HB1) or 
	(residue 20 and name HB2)) 4.63 2.83 0.00

assign ((residue 47 and name HA))
	((residue 47 and name HG1) or 
	(residue 47 and name HG2)) 3.72 1.92 0.00

assign ((residue 53 and name HD12) or 
	(residue 53 and name HD11) or 
	(residue 53 and name HD13))
	((residue 54 and name HG1) or 
	(residue 54 and name HG2)) 5.30 3.50 0.00

assign ((residue 46 and name HG23) or 
	(residue 46 and name HG22) or 
	(residue 46 and name HG21))
	((residue 47 and name HG1) or 
	(residue 47 and name HG2)) 3.96 2.16 0.00

assign ((residue 18 and name HB))
	((residue 18 and name HD13) or 
	(residue 18 and name HD12) or 
	(residue 18 and name HD11)) 3.58 1.78 0.00

assign ((residue 24 and name HB1) or 
	(residue 24 and name HB2))
	((residue 25 and name HN)) 4.99 3.19 0.00

assign ((residue 60 and name HD2) or 
	(residue 60 and name HD1))
	((residue 63 and name HD1) or 
	(residue 63 and name HD2)) 4.87 3.07 0.00

assign ((residue 43 and name HD13) or 
	(residue 43 and name HD12) or 
	(residue 43 and name HD11))
	((residue 46 and name HG23) or 
	(residue 46 and name HG22) or 
	(residue 46 and name HG21)) 3.66 1.86 0.00

assign ((residue 12 and name HN))
	((residue 12 and name HD23) or 
	(residue 12 and name HD11) or 
	(residue 12 and name HD12) or 
	(residue 12 and name HD22) or 
	(residue 12 and name HD13) or 
	(residue 12 and name HD21)) 4.02 2.22 0.00

assign ((residue 24 and name HE2) or 
	(residue 24 and name HE1))
	((residue 41 and name HB1) or 
	(residue 41 and name HB2)) 4.56 2.76 0.00

assign ((residue 48 and name HB#))
	((residue 26 and name HA)) 5.5 3.7 0.00

assign ((residue 49 and name HN))
	((residue 49 and name HD12) or 
	(residue 49 and name HD11) or 
	(residue 49 and name HD13)) 3.91 2.11 0.00

assign ((residue 53 and name HA))
	((residue 53 and name HG21) or 
	(residue 53 and name HG23) or 
	(residue 53 and name HG22)) 3.13 1.33 0.00

assign ((residue 50 and name HN))
	((residue 52 and name HN)) 5.09 3.29 0.00

assign ((residue 53 and name HN))
	((residue 53 and name HD12) or 
	(residue 53 and name HD11) or 
	(residue 53 and name HD13)) 3.90 2.10 0.00

assign ((residue 18 and name HG11) or 
	(residue 18 and name HG12))
	((residue 24 and name HE2) or 
	(residue 24 and name HE1)) 5.32 3.52 0.00

assign ((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11))
	((residue 48 and name HN)) 4.09 2.29 0.00

assign ((residue 18 and name HD13) or 
	(residue 18 and name HD12) or 
	(residue 18 and name HD11))
	((residue 22 and name HN)) 5.11 3.31 0.00

assign ((residue 53 and name HA))
	((residue 56 and name HB2) or 
	(residue 56 and name HB1)) 4.17 2.37 0.00

assign ((residue 16 and name HN))
	((residue 16 and name HB2) or 
	(residue 16 and name HB1)) 3.64 1.84 0.00

assign ((residue 12 and name HN))
	((residue 12 and name HG)) 4.09 2.29 0.00

assign ((residue 41 and name HD2) or 
	(residue 41 and name HD1))
	((residue 45 and name HD12) or 
	(residue 45 and name HD13) or 
	(residue 45 and name HD11)) 4.49 2.69 0.00

assign ((residue 52 and name HN))
	((residue 55 and name HG)) 5.50 3.70 0.00

assign ((residue 49 and name HB))
	((residue 50 and name HG2) or 
	(residue 50 and name HG1)) 5.14 3.34 0.00

assign ((residue 63 and name HD1) or 
	(residue 63 and name HD2))
	((residue 64 and name HN)) 5.50 3.70 0.00

assign ((residue 18 and name HG23) or 
	(residue 18 and name HG21) or 
	(residue 18 and name HG22))
	((residue 24 and name HE2) or 
	(residue 24 and name HE1)) 4.15 2.35 0.00

assign ((residue 46 and name HB))
	((residue 47 and name HN)) 3.20 1.40 0.00

assign ((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22))
	((residue 17 and name HN)) 3.67 1.87 0.00

assign ((residue 52 and name HA))
	((residue 55 and name HB2) or 
	(residue 55 and name HB1)) 3.40 1.60 0.00

assign ((residue 25 and name HA))
	((residue 37 and name HN)) 4.27 2.47 0.00

assign ((residue 20 and name HN))
	((residue 21 and name HN)) 4.57 2.77 0.00

assign ((residue 63 and name HA))
	((residue 64 and name HG)) 4.37 2.57 0.00

assign ((residue 25 and name HB1) or 
	(residue 25 and name HB2))
	((residue 36 and name HA2) or 
	(residue 36 and name HA1)) 4.86 3.06 0.00

assign ((residue 31 and name HB))
	((residue 33 and name HN)) 4.50 2.70 0.00

assign ((residue 40 and name HN))
	((residue 43 and name HN)) 5.50 3.70 0.00

assign ((residue 60 and name HG1) or 
	(residue 60 and name HG2))
	((residue 63 and name HD1) or 
	(residue 63 and name HD2)) 4.44 2.64 0.00

!assign ((residue 16 and name HB#))
!	((residue 26 and name HD2) or 
!	(residue 26 and name HD1)) 4.43 2.63 0.00

assign ((residue 19 and name HN))
	((residue 20 and name HA)) 5.10 3.30 0.00

assign ((residue 17 and name HB1) or 
	(residue 17 and name HB2))
	((residue 18 and name HN)) 4.22 2.42 0.00

assign ((residue 50 and name HA))
	((residue 50 and name HB2) or 
	(residue 50 and name HB1)) 3.00 1.20 0.00

!assign ((residue 16 and name HA))
!	((residue 26 and name HD2) or 
!	(residue 26 and name HD1)) 4.42 2.62 0.00

assign ((residue 26 and name HD2) or 
	(residue 26 and name HD1))
	((residue 35 and name HN)) 5.46 3.66 0.00

assign ((residue 26 and name HE1) or 
	(residue 26 and name HE2))
	((residue 28 and name HA)) 4.03 2.23 0.00

!assign ((residue 16 and name HB2) or 
!	(residue 16 and name HB1))
!	((residue 26 and name HN)) 5.50 3.70 0.00

assign ((residue 47 and name HN))
	((residue 47 and name HG1) or 
	(residue 47 and name HG2)) 3.44 1.64 0.00

assign ((residue 28 and name HN))
	((residue 30 and name HN)) 5.21 3.41 0.00

assign ((residue 52 and name HN))
	((residue 53 and name HN)) 3.75 1.95 0.00

!assign ((residue 31 and name HB))
!	((residue 33 and name HB1) or 
!	(residue 33 and name HB2)) 5.01 3.21 0.00

assign ((residue 46 and name HN))
	((residue 48 and name HN)) 4.53 2.73 0.00

assign ((residue 52 and name HD21) or 
	(residue 52 and name HD22))
	((residue 52 and name HB2) or 
	(residue 52 and name HB1)) 5.50 3.70 0.00

assign ((residue 54 and name HN))
	((residue 54 and name HG1) or 
	(residue 54 and name HG2)) 3.53 1.73 0.00

assign ((residue 60 and name HB2) or 
	(residue 60 and name HB1))
	((residue 63 and name HD1) or 
	(residue 63 and name HD2)) 4.25 2.45 0.00

assign ((residue 26 and name HA))
	((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3)) 5.11 3.31 0.00

assign ((residue 42 and name HG2) or 
	(residue 42 and name HG1))
	((residue 43 and name HD13) or 
	(residue 43 and name HD12) or 
	(residue 43 and name HD11)) 5.50 3.70 0.00

assign ((residue 55 and name HN))
	((residue 56 and name HB2) or 
	(residue 56 and name HB1)) 5.50 3.70 0.00

assign ((residue 34 and name HB1) or 
	(residue 34 and name HB2))
	((residue 35 and name HN)) 3.96 2.16 0.00

assign ((residue 33 and name HG1) or 
	(residue 33 and name HG2))
	((residue 33 and name HE1) or 
	(residue 33 and name HE2)) 3.42 1.62 0.00

assign ((residue 18 and name HN))
	((residue 18 and name HG23) or 
	(residue 18 and name HG21) or 
	(residue 18 and name HG22)) 3.73 1.93 0.00

assign ((residue 16 and name HB2) or 
	(residue 16 and name HB1))
	((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22)) 3.43 1.63 0.00

assign ((residue 37 and name HN))
	((residue 37 and name HG)) 4.66 2.86 0.00

assign ((residue 33 and name HD2) or 
	(residue 33 and name HD1))
	((residue 33 and name HE1) or 
	(residue 33 and name HE2)) 3.04 1.24 0.00

assign ((residue 18 and name HD13) or 
	(residue 18 and name HD12) or 
	(residue 18 and name HD11))
	((residue 21 and name HN)) 5.50 3.70 0.00

assign ((residue 37 and name HB1) or 
	(residue 37 and name HB2))
	((residue 44 and name HB3) or 
	(residue 44 and name HB1) or 
	(residue 44 and name HB2)) 3.78 1.98 0.00

assign ((residue 29 and name HD1) or 
	(residue 29 and name HD2))
	((residue 30 and name HD1) or 
	(residue 30 and name HD2)) 4.86 3.06 0.00

assign ((residue 12 and name HG))
	((residue 45 and name HG11) or 
	(residue 45 and name HG12)) 3.32 1.52 0.00

!assign ((residue 16 and name HG)) !no symm
!	((residue 17 and name HN)) 4.52 2.72 0.00

assign ((residue 37 and name HA))
	((residue 38 and name HA1) or 
	(residue 38 and name HA2)) 4.96 3.16 0.00

assign ((residue 29 and name HG2) or 
	(residue 29 and name HG1))
	((residue 15 and name HD22) or 
	(residue 15 and name HD21)) 4.73 2.93 0.00

!assign ((residue 16 and name HG))
!	((residue 26 and name HB2) or 
!	(residue 26 and name HB1)) 5.15 3.35 0.00

assign ((residue 40 and name HB2) or 
	(residue 40 and name HB1))
	((residue 43 and name HN)) 4.30 2.50 0.00

assign ((residue 18 and name HD13) or 
	(residue 18 and name HD12) or 
	(residue 18 and name HD11))
	((residue 19 and name HB1) or 
	(residue 19 and name HB2)) 3.36 1.56 0.00

assign ((residue 26 and name HB2) or 
	(residue 26 and name HB1))
	((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11)) 3.41 1.61 0.00

assign ((residue 13 and name HA))
	((residue 49 and name HD12) or 
	(residue 49 and name HD11) or 
	(residue 49 and name HD13)) 5.33 3.53 0.00

assign ((residue 45 and name HA))
	((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3)) 4.00 2.20 0.00

assign ((residue 18 and name HD13) or 
	(residue 18 and name HD12) or 
	(residue 18 and name HD11))
	((residue 21 and name HA)) 5.10 3.30 0.00

assign ((residue 18 and name HD13) or 
	(residue 18 and name HD12) or 
	(residue 18 and name HD11))
	((residue 22 and name HA2) or 
	(residue 22 and name HA1)) 3.80 2.00 0.00

assign ((residue 24 and name HD1) or 
	(residue 24 and name HD2))
	((residue 44 and name HN)) 5.50 3.70 0.00

!assign ((residue 31 and name HG22) or 
!	(residue 31 and name HG21) or 
!	(residue 31 and name HG23))
!	((residue 33 and name HG1) or 
!	(residue 33 and name HG2)) 3.71 1.91 0.00

assign ((residue 56 and name HB2) or 
	(residue 56 and name HB1))
	((residue 57 and name HA)) 5.07 3.27 0.00

assign ((residue 45 and name HG22) or 
	(residue 45 and name HG23) or 
	(residue 45 and name HG21))
	((residue 47 and name HN)) 4.60 2.80 0.00

assign ((residue 13 and name HA))
	((residue 14 and name HB1) or 
	(residue 14 and name HB2)) 5.50 3.70 0.00

assign ((residue 44 and name HN))
	((residue 44 and name HB3) or 
	(residue 44 and name HB1) or 
	(residue 44 and name HB2)) 3.23 1.43 0.00

assign ((residue 24 and name HA))
	((residue 44 and name HB3) or 
	(residue 44 and name HB1) or 
	(residue 44 and name HB2)) 4.60 2.80 0.00

assign ((residue 43 and name HG23) or 
	(residue 43 and name HG21) or 
	(residue 43 and name HG22))
	((residue 46 and name HB)) 4.59 2.79 0.00

!assign ((residue 23 and name HD2) or 
!	(residue 23 and name HD1))
!	((residue 24 and name HD1) or 
!	(residue 24 and name HD2)) 5.15 3.35 0.00

assign ((residue 12 and name HG))
	((residue 24 and name HE2) or 
	(residue 24 and name HE1)) 3.95 2.15 0.00

assign ((residue 40 and name HB2) or 
	(residue 40 and name HB1))
	((residue 43 and name HG11) or 
	(residue 43 and name HG12)) 4.80 3.00 0.00

assign ((residue 46 and name HN))
	((residue 46 and name HB)) 3.30 1.50 0.00

assign ((residue 46 and name HB))
	((residue 47 and name HB1) or 
	(residue 47 and name HB2)) 4.81 3.01 0.00

assign ((residue 46 and name HA))
	((residue 49 and name HB)) 3.52 1.72 0.00

assign ((residue 63 and name HG1) or 
	(residue 63 and name HG2))
	((residue 64 and name HN)) 4.71 2.91 0.00

assign ((residue 40 and name HN))
	((residue 40 and name HB2) or 
	(residue 40 and name HB1)) 3.42 1.62 0.00

assign ((residue 42 and name HN))
	((residue 42 and name HB2) or 
	(residue 42 and name HB1)) 3.15 1.35 0.00

assign ((residue 50 and name HN))
	((residue 50 and name HB2) or 
	(residue 50 and name HB1)) 3.21 1.41 0.00

assign ((residue 26 and name HD2) or 
	(residue 26 and name HD1))
	((residue 35 and name HB2) or 
	(residue 35 and name HB1)) 4.71 2.91 0.00

assign ((residue 42 and name HG2) or 
	(residue 42 and name HG1))
	((residue 43 and name HA)) 4.94 3.14 0.00

assign ((residue 29 and name HA))
	((residue 30 and name HD1) or 
	(residue 30 and name HD2)) 3.99 2.19 0.00

assign ((residue 25 and name HA))
	((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11)) 4.45 2.65 0.00

assign ((residue 19 and name HB1) or 
	(residue 19 and name HB2))
	((residue 20 and name HB1) or 
	(residue 20 and name HB2)) 5.02 3.22 0.00

assign ((residue 48 and name HN))
	((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3)) 3.13 1.33 0.00

assign ((residue 42 and name HA))
	((residue 45 and name HN)) 4.59 2.79 0.00

assign ((residue 64 and name HA))
	((residue 64 and name HD22) or 
	(residue 64 and name HD13) or 
	(residue 64 and name HD21) or 
	(residue 64 and name HD11) or 
	(residue 64 and name HD23) or 
	(residue 64 and name HD12)) 3.85 2.05 0.00

assign ((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11))
	((residue 44 and name HA)) 3.34 1.54 0.00

assign ((residue 60 and name HB2) or 
	(residue 60 and name HB1))
	((residue 63 and name HG1) or 
	(residue 63 and name HG2)) 3.66 1.86 0.00

assign ((residue 29 and name HA))
	((residue 55 and name HD22) or 
	(residue 55 and name HD12) or 
	(residue 55 and name HD13) or 
	(residue 55 and name HD21) or 
	(residue 55 and name HD11) or 
	(residue 55 and name HD23)) 5.50 3.70 0.00

assign ((residue 20 and name HN))
	((residue 21 and name HB1) or 
	(residue 21 and name HB2)) 4.94 3.14 0.00

assign ((residue 29 and name HD1) or 
	(residue 29 and name HD2))
	((residue 30 and name HG1) or 
	(residue 30 and name HG2)) 5.40 3.60 0.00

assign ((residue 33 and name HA))
	((residue 33 and name HG1) or 
	(residue 33 and name HG2)) 3.47 1.67 0.00

assign ((residue 43 and name HN))
	((residue 44 and name HN)) 3.55 1.75 0.00

assign ((residue 27 and name HA))
	((residue 34 and name HA)) 3.75 1.95 0.00

assign ((residue 16 and name HA))
	((residue 26 and name HB2) or 
	(residue 26 and name HB1)) 4.80 3.00 0.00

assign ((residue 13 and name HB1) or 
	(residue 13 and name HB2))
	((residue 52 and name HD21) or 
	(residue 52 and name HD22)) 4.29 2.49 0.00

assign ((residue 25 and name HA))
	((residue 36 and name HA2) or 
	(residue 36 and name HA1)) 4.27 2.47 0.00

assign ((residue 29 and name HB1) or 
	(residue 29 and name HB2))
	((residue 30 and name HN)) 4.69 2.89 0.00

assign ((residue 26 and name HE1) or 
	(residue 26 and name HE2))
	((residue 55 and name HD22) or 
	(residue 55 and name HD12) or 
	(residue 55 and name HD13) or 
	(residue 55 and name HD21) or 
	(residue 55 and name HD11) or 
	(residue 55 and name HD23)) 4.85 3.05 0.00

assign ((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22))
	((residue 24 and name HD1) or 
	(residue 24 and name HD2)) 3.93 2.13 0.00

assign ((residue 16 and name HA))
	((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22)) 3.37 1.57 0.00

assign ((residue 24 and name HB1) or 
	(residue 24 and name HB2))
	((residue 39 and name HA)) 4.89 3.09 0.00

assign ((residue 12 and name HA))
	((residue 13 and name HB1) or 
	(residue 13 and name HB2)) 5.46 3.66 0.00

assign ((residue 26 and name HA))
	((residue 26 and name HD2) or 
	(residue 26 and name HD1)) 3.92 2.12 0.00

assign ((residue 42 and name HA))
	((residue 45 and name HB)) 4.08 2.28 0.00

assign ((residue 42 and name HA))
	((residue 42 and name HG2) or 
	(residue 42 and name HG1)) 3.67 1.87 0.00

assign ((residue 26 and name HA))
	((residue 27 and name HN)) 3.38 1.58 0.00

assign ((residue 31 and name HN))
	((residue 32 and name HN)) 3.21 1.41 0.00

assign ((residue 64 and name HB1) or 
	(residue 64 and name HB2))
	((residue 64 and name HD22) or 
	(residue 64 and name HD13) or 
	(residue 64 and name HD21) or 
	(residue 64 and name HD11) or 
	(residue 64 and name HD23) or 
	(residue 64 and name HD12)) 3.35 1.55 0.00

assign ((residue 13 and name HA))
	((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3)) 5.48 3.68 0.00

assign ((residue 43 and name HA))
	((residue 46 and name HB)) 3.45 1.65 0.00

assign ((residue 30 and name HA))
	((residue 30 and name HB2) or 
	(residue 30 and name HB1)) 2.86 1.06 0.00

assign ((residue 28 and name HB2) or 
	(residue 28 and name HB1))
	((residue 29 and name HD1) or 
	(residue 29 and name HD2)) 5.01 3.21 0.00

assign ((residue 45 and name HN))
	((residue 47 and name HN)) 5.37 3.57 0.00

assign ((residue 55 and name HA))
	((residue 56 and name HA)) 4.60 2.80 0.00

assign ((residue 44 and name HN))
	((residue 47 and name HG1) or 
	(residue 47 and name HG2)) 5.50 3.70 0.00

assign ((residue 51 and name HA))
	((residue 54 and name HN)) 3.44 1.64 0.00

assign ((residue 13 and name HA))
	((residue 49 and name HG12) or 
	(residue 49 and name HG11)) 5.02 3.22 0.00

assign ((residue 53 and name HD12) or 
	(residue 53 and name HD11) or 
	(residue 53 and name HD13))
	((residue 54 and name HN)) 4.04 2.24 0.00

assign ((residue 37 and name HN))
	((residue 37 and name HB1) or 
	(residue 37 and name HB2)) 3.94 2.14 0.00

assign ((residue 52 and name HB2) or 
	(residue 52 and name HB1))
	((residue 55 and name HB2) or 
	(residue 55 and name HB1)) 4.71 2.91 0.00

assign ((residue 45 and name HN))
	((residue 45 and name HG11) or 
	(residue 45 and name HG12)) 3.20 1.40 0.00

assign ((residue 29 and name HA))
	((residue 32 and name HN)) 4.37 2.57 0.00

assign ((residue 18 and name HD13) or 
	(residue 18 and name HD12) or 
	(residue 18 and name HD11))
	((residue 24 and name HA)) 5.28 3.48 0.00

assign ((residue 25 and name HA))
	((residue 37 and name HB1) or 
	(residue 37 and name HB2)) 4.97 3.17 0.00

assign ((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22))
	((residue 45 and name HN)) 4.92 3.12 0.00

assign ((residue 23 and name HE1) or 
	(residue 23 and name HE2))
	((residue 25 and name HA)) 5.50 3.70 0.00 !manually downgraded to very weak class

assign ((residue 13 and name HG2) or 
	(residue 13 and name HG1))
	((residue 49 and name HN)) 4.80 3.00 0.00

assign ((residue 53 and name HD12) or 
	(residue 53 and name HD11) or 
	(residue 53 and name HD13))
	((residue 56 and name HD1) or 
	(residue 56 and name HD2)) 4.98 3.18 0.00

assign ((residue 47 and name HG1) or 
	(residue 47 and name HG2))
	((residue 48 and name HN)) 5.39 3.59 0.00

assign ((residue 23 and name HE1) or 
	(residue 23 and name HE2))
	((residue 38 and name HA1) or 
	(residue 38 and name HA2)) 4.31 2.51 0.00

assign ((residue 25 and name HA))
	((residue 26 and name HN)) 3.43 1.63 0.00

assign ((residue 43 and name HN))
	((residue 43 and name HB)) 3.21 1.41 0.00

assign ((residue 53 and name HA))
	((residue 53 and name HG12) or 
	(residue 53 and name HG11)) 3.57 1.77 0.00

assign ((residue 53 and name HN))
	((residue 53 and name HG12) or 
	(residue 53 and name HG11)) 3.71 1.91 0.00

assign ((residue 41 and name HD2) or 
	(residue 41 and name HD1))
	((residue 42 and name HA)) 4.25 2.45 0.00

assign ((residue 30 and name HN))
	((residue 30 and name HG1) or 
	(residue 30 and name HG2)) 4.28 2.48 0.00

assign ((residue 52 and name HB2) or 
	(residue 52 and name HB1))
	((residue 53 and name HD12) or 
	(residue 53 and name HD11) or 
	(residue 53 and name HD13)) 4.70 2.90 0.00

assign ((residue 18 and name HG23) or 
	(residue 18 and name HG21) or 
	(residue 18 and name HG22))
	((residue 24 and name HA)) 4.79 2.99 0.00

assign ((residue 39 and name HB1) or 
	(residue 39 and name HB2))
	((residue 39 and name HD2) or 
	(residue 39 and name HD1)) 3.57 1.77 0.00

assign ((residue 40 and name HN))
	((residue 43 and name HG11) or 
	(residue 43 and name HG12)) 4.84 3.04 0.00

assign ((residue 45 and name HG22) or 
	(residue 45 and name HG23) or 
	(residue 45 and name HG21))
	((residue 46 and name HN)) 3.91 2.11 0.00

assign ((residue 46 and name HN))
	((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3)) 5.18 3.38 0.00

assign ((residue 43 and name HA))
	((residue 47 and name HN)) 4.35 2.55 0.00

assign ((residue 24 and name HD1) or 
	(residue 24 and name HD2))
	((residue 25 and name HN)) 5.08 3.28 0.00

assign ((residue 29 and name HG2) or 
	(residue 29 and name HG1))
	((residue 30 and name HD1) or 
	(residue 30 and name HD2)) 5.28 3.48 0.00

!assign ((residue 28 and name HN))
!	((residue 34 and name HG2) or 
!	(residue 34 and name HG1)) 5.25 3.45 0.00

assign ((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22))
	((residue 24 and name HA)) 5.19 3.39 0.00

assign ((residue 23 and name HE1) or 
	(residue 23 and name HE2))
	((residue 37 and name HN)) 4.42 2.62 0.00

assign ((residue 18 and name HG11) or 
	(residue 18 and name HG12))
	((residue 24 and name HN)) 4.91 3.11 0.00

assign ((residue 15 and name HA))
	((residue 27 and name HN)) 5.27 3.47 0.00

!assign ((residue 31 and name HG22) or 
!    (residue 31 and name HG21) or 
!	(residue 31 and name HG23))
!	((residue 33 and name HD2) or 
!	(residue 33 and name HD1)) 4.78 2.98 0.00

assign ((residue 44 and name HN))
	((residue 45 and name HN)) 3.85 2.05 0.00

!assign ((residue 16 and name HB2) or 
!	(residue 16 and name HB1))
!	((residue 48 and name HB2) or 
!	(residue 48 and name HB1) or 
!	(residue 48 and name HB3)) 3.36 1.56 0.00

assign ((residue 28 and name HN))
	((residue 28 and name HB2) or 
	(residue 28 and name HB1)) 3.70 1.90 0.00

assign ((residue 52 and name HB2) or 
	(residue 52 and name HB1))
	((residue 53 and name HN)) 3.77 1.97 0.00

assign ((residue 17 and name HB1) or 
	(residue 17 and name HB2))
	((residue 18 and name HA)) 5.28 3.48 0.00

assign ((residue 11 and name HN))
	((residue 11 and name HB2) or 
	(residue 11 and name HB1)) 3.98 2.18 0.00

assign ((residue 46 and name HG23) or 
	(residue 46 and name HG22) or 
	(residue 46 and name HG21))
	((residue 47 and name HA)) 4.07 2.27 0.00

!assign ((residue 23 and name HA))
!	((residue 24 and name HD1) or 
!	(residue 24 and name HD2)) 4.81 3.01 0.00

assign ((residue 33 and name HB1) or 
	(residue 33 and name HB2))
	((residue 34 and name HN)) 4.21 2.41 0.00

assign ((residue 54 and name HG1) or 
	(residue 54 and name HG2))
	((residue 55 and name HN)) 4.19 2.39 0.00

assign ((residue 54 and name HN))
	((residue 55 and name HN)) 3.08 1.28 0.00

assign ((residue 24 and name HA))
	((residue 24 and name HD1) or 
	(residue 24 and name HD2)) 4.05 2.25 0.00

assign (residue 18 and name HD1#) 
	((residue 23 and name HN)) 4.97 3.17 0.00

assign ((residue 28 and name HA))
	((residue 29 and name HD1) or 
	(residue 29 and name HD2)) 3.53 1.73 0.00

!assign ((residue 16 and name HD23) or 
!	(residue 16 and name HD11) or 
!	(residue 16 and name HD12) or 
!	(residue 16 and name HD21) or 
!	(residue 16 and name HD13) or 
!	(residue 16 and name HD22))
!	((residue 37 and name HG)) 4.74 2.94 0.00

assign ((residue 13 and name HB1) or 
	(residue 13 and name HB2))
	((residue 49 and name HA)) 5.04 3.24 0.00

!assign ((residue 16 and name HD23) or 
!	(residue 16 and name HD11) or 
!	(residue 16 and name HD12) or 
!	(residue 16 and name HD21) or 
!	(residue 16 and name HD13) or 
!	(residue 16 and name HD22))
!	((residue 48 and name HN)) 4.02 2.22 0.00

assign ((residue 23 and name HE1) or 
	(residue 23 and name HE2))
	((residue 38 and name HN)) 4.66 2.86 0.00

assign ((residue 34 and name HA))
	((residue 35 and name HD2) or 
	(residue 35 and name HD1)) 4.74 2.94 0.00

assign ((residue 40 and name HA))
	((residue 43 and name HG11) or 
	(residue 43 and name HG12)) 4.40 2.60 0.00

assign ((residue 49 and name HN))
	((residue 50 and name HN)) 3.69 1.89 0.00

assign ((residue 45 and name HG22) or 
	(residue 45 and name HG23) or 
	(residue 45 and name HG21))
	((residue 46 and name HG23) or 
	(residue 46 and name HG22) or 
	(residue 46 and name HG21)) 5.11 3.31 0.00

assign ((residue 18 and name HD13) or 
	(residue 18 and name HD12) or 
	(residue 18 and name HD11))
	((residue 19 and name HN)) 5.16 3.36 0.00

assign ((residue 18 and name HG23) or 
	(residue 18 and name HG21) or 
	(residue 18 and name HG22))
	((residue 19 and name HB1) or 
	(residue 19 and name HB2)) 4.55 2.75 0.00

assign ((residue 18 and name HD13) or 
	(residue 18 and name HD12) or 
	(residue 18 and name HD11))
	((residue 24 and name HE2) or 
	(residue 24 and name HE1)) 4.42 2.62 0.00

assign ((residue 17 and name HN))
	((residue 18 and name HN)) 5.50 3.70 0.00

!assign ((residue 16 and name HN))
!	((residue 17 and name HB1) or 
!	(residue 17 and name HB2)) 5.49 3.69 0.00

assign ((residue 38 and name HA1) or 
	(residue 38 and name HA2))
	((residue 39 and name HN)) 3.27 1.47 0.00

assign ((residue 35 and name HA))
	((residue 35 and name HD2) or 
	(residue 35 and name HD1)) 3.90 2.10 0.00

assign ((residue 33 and name HA))
	((residue 34 and name HN)) 3.08 1.28 0.00

assign ((residue 18 and name HG23) or 
	(residue 18 and name HG21) or 
	(residue 18 and name HG22))
	((residue 18 and name HG11) or 
	(residue 18 and name HG12)) 3.14 1.34 0.00

assign ((residue 26 and name HE1) or 
	(residue 26 and name HE2))
	((residue 28 and name HN)) 5.00 3.20 0.00

assign ((residue 12 and name HD23) or 
	(residue 12 and name HD11) or 
	(residue 12 and name HD12) or 
	(residue 12 and name HD22) or 
	(residue 12 and name HD13) or 
	(residue 12 and name HD21))
	((residue 45 and name HD12) or 
	(residue 45 and name HD13) or 
	(residue 45 and name HD11)) 3.71 1.91 0.00

assign ((residue 28 and name HN))
	((residue 31 and name HN)) 5.44 3.64 0.00

assign ((residue 24 and name HE2) or 
	(residue 24 and name HE1))
	((residue 39 and name HA)) 4.71 2.91 0.00

assign ((residue 51 and name HN))
	((residue 53 and name HN)) 5.04 3.24 0.00

assign ((residue 26 and name HN))
	((residue 35 and name HN)) 4.64 2.84 0.00

assign ((residue 50 and name HB2) or 
	(residue 50 and name HB1))
	((residue 51 and name HN)) 3.50 1.70 0.00

assign ((residue 14 and name HD2) or 
	(residue 14 and name HD1))
	((residue 15 and name HD22) or 
	(residue 15 and name HD21)) 5.50 3.70 0.00

assign ((residue 27 and name HA))
	((residue 28 and name HN)) 3.52 1.72 0.00

assign ((residue 12 and name HD23) or 
	(residue 12 and name HD11) or 
	(residue 12 and name HD12) or 
	(residue 12 and name HD22) or 
	(residue 12 and name HD13) or 
	(residue 12 and name HD21))
	((residue 24 and name HE2) or 
	(residue 24 and name HE1)) 3.78 1.98 0.00

assign ((residue 49 and name HG23) or 
	(residue 49 and name HG21) or 
	(residue 49 and name HG22))
	((residue 50 and name HA)) 3.86 2.06 0.00

assign ((residue 28 and name HA))
	((residue 55 and name HD22) or 
	(residue 55 and name HD12) or 
	(residue 55 and name HD13) or 
	(residue 55 and name HD21) or 
	(residue 55 and name HD11) or 
	(residue 55 and name HD23)) 4.64 2.84 0.00

assign ((residue 26 and name HN))
	((residue 26 and name HD2) or 
	(residue 26 and name HD1)) 4.81 3.01 0.00

assign ((residue 21 and name HA))
	((residue 22 and name HN)) 3.60 1.80 0.00

assign ((residue 35 and name HN))
	((residue 35 and name HB2) or 
	(residue 35 and name HB1)) 3.96 2.16 0.00

assign ((residue 21 and name HB1) or 
	(residue 21 and name HB2))
	((residue 22 and name HA2) or 
	(residue 22 and name HA1)) 4.71 2.91 0.00

assign ((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22))
	((residue 26 and name HB2) or 
	(residue 26 and name HB1)) 5.45 3.65 0.00

assign ((residue 17 and name HB1) or 
	(residue 17 and name HB2))
	((residue 18 and name HG23) or 
	(residue 18 and name HG21) or 
	(residue 18 and name HG22)) 5.50 3.70 0.00

assign ((residue 24 and name HD1) or 
	(residue 24 and name HD2))
	((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11)) 5.50 3.70 0.00

assign ((residue 47 and name HB1) or 
	(residue 47 and name HB2))
	((residue 48 and name HN)) 3.61 1.81 0.00

assign ((residue 15 and name HB1) or 
	(residue 15 and name HB2))
	((residue 27 and name HN)) 4.49 2.69 0.00

assign ((residue 23 and name HD2) or 
	(residue 23 and name HD1))
	((residue 24 and name HN)) 4.81 3.01 0.00

assign ((residue 42 and name HN))
	((residue 43 and name HN)) 3.31 1.51 0.00

assign ((residue 46 and name HB))
	((residue 47 and name HA)) 4.70 2.90 0.00

assign ((residue 13 and name HG2) or 
	(residue 13 and name HG1))
	((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22)) 3.38 1.58 0.00

assign ((residue 49 and name HN))
	((residue 49 and name HG12) or 
	(residue 49 and name HG11)) 4.00 2.20 0.00

assign ((residue 24 and name HD1) or 
	(residue 24 and name HD2))
	((residue 44 and name HB3) or 
	(residue 44 and name HB1) or 
	(residue 44 and name HB2)) 4.03 2.23 0.00

!assign ((residue 34 and name HA))
!	((residue 35 and name HE2) or 
!	(residue 35 and name HE1)) 5.20 3.40 0.00

assign ((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3))
	((residue 49 and name HN)) 4.04 2.24 0.00

assign ((residue 27 and name HN))
	((residue 27 and name HB2) or 
	(residue 27 and name HB1)) 3.97 2.17 0.00

assign ((residue 27 and name HA))
	((residue 35 and name HN)) 4.88 3.08 0.00

assign ((residue 25 and name HN))
	((residue 26 and name HN)) 4.68 2.88 0.00

assign ((residue 12 and name HB2) or 
	(residue 12 and name HB1))
	((residue 12 and name HD23) or 
	(residue 12 and name HD11) or 
	(residue 12 and name HD12) or 
	(residue 12 and name HD22) or 
	(residue 12 and name HD13) or 
	(residue 12 and name HD21)) 3.78 1.98 0.00

assign ((residue 33 and name HN))
	((residue 33 and name HG1) or 
	(residue 33 and name HG2)) 4.02 2.22 0.00

assign ((residue 51 and name HN))
	((residue 51 and name HB2) or 
	(residue 51 and name HB1) or 
	(residue 51 and name HB3)) 3.00 1.20 0.00

assign ((residue 13 and name HG2) or 
	(residue 13 and name HG1))
	((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3)) 3.61 1.81 0.00

!assign ((residue 31 and name HG22) or 
!	(residue 31 and name HG21) or 
!	(residue 31 and name HG23))
!	((residue 33 and name HE1) or 
!	(residue 33 and name HE2)) 5.01 3.21 0.00

!assign ((residue 15 and name HA))
!	((residue 16 and name HA)) 4.67 2.87 0.00

assign ((residue 18 and name HB))
	((residue 19 and name HN)) 4.59 2.79 0.00

!assign ((residue 12 and name HG))
!	((residue 45 and name HA)) 4.82 3.02 0.00

assign ((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22))
	((residue 44 and name HA)) 4.53 2.73 0.00

assign ((residue 50 and name HA))
	((residue 52 and name HN)) 4.33 2.53 0.00

assign ((residue 11 and name HN))
	((residue 12 and name HN)) 3.77 1.97 0.00

assign ((residue 17 and name HN))
	((residue 17 and name HB1) or 
	(residue 17 and name HB2)) 4.08 2.28 0.00

assign ((residue 46 and name HN))
	((residue 47 and name HN)) 3.55 1.75 0.00

assign ((residue 46 and name HN))
	((residue 46 and name HG23) or 
	(residue 46 and name HG22) or 
	(residue 46 and name HG21)) 3.68 1.88 0.00

assign ((residue 14 and name HB1) or 
	(residue 14 and name HB2))
	((residue 15 and name HD22) or 
	(residue 15 and name HD21)) 5.06 3.26 0.00

assign ((residue 28 and name HN))
	((residue 32 and name HN)) 5.37 3.57 0.00

assign ((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22))
	((residue 26 and name HA)) 4.29 2.49 0.00

assign ((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3))
	((residue 50 and name HN)) 5.50 3.70 0.00

assign ((residue 26 and name HB2) or 
	(residue 26 and name HB1))
	((residue 35 and name HN)) 5.30 3.50 0.00

assign ((residue 16 and name HA))
	((residue 26 and name HA)) 3.73 1.93 0.00

assign ((residue 37 and name HA))
	((residue 37 and name HG)) 4.24 2.44 0.00

assign ((residue 18 and name HB))
	((residue 24 and name HD1) or 
	(residue 24 and name HD2)) 4.98 3.18 0.00

assign ((residue 26 and name HD2) or 
	(residue 26 and name HD1))
	((residue 27 and name HN)) 4.38 2.58 0.00

assign ((residue 12 and name HG))
	((residue 24 and name HD1) or 
	(residue 24 and name HD2)) 5.09 3.29 0.00

assign ((residue 50 and name HA))
	((residue 53 and name HG12) or 
	(residue 53 and name HG11)) 4.73 2.93 0.00

assign ((residue 50 and name HN))
	((residue 50 and name HG2) or 
	(residue 50 and name HG1)) 3.97 2.17 0.00

assign ((residue 56 and name HA))
	((residue 58 and name HN)) 3.88 2.08 0.00

assign ((residue 26 and name HB2) or 
	(residue 26 and name HB1))
	((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3)) 5.00 3.20 0.00

!assign ((residue 16 and name HD23) or 
!	(residue 16 and name HD11) or 
!	(residue 16 and name HD12) or 
!	(residue 16 and name HD21) or 
!	(residue 16 and name HD13) or 
!	(residue 16 and name HD22))
!	((residue 37 and name HD21) or 
!	(residue 37 and name HD23) or 
!	(residue 37 and name HD12) or 
!	(residue 37 and name HD22) or 
!	(residue 37 and name HD13) or 
!	(residue 37 and name HD11)) 4.51 2.71 0.00

assign ((residue 39 and name HN))
	((residue 40 and name HN)) 3.36 1.56 0.00

assign ((residue 15 and name HA))
	((residue 26 and name HD2) or 
	(residue 26 and name HD1)) 4.93 3.13 0.00

assign ((residue 35 and name HN))
	((residue 36 and name HN)) 5.50 3.70 0.00

assign ((residue 51 and name HN))
	((residue 54 and name HN)) 5.50 3.70 0.00

assign ((residue 51 and name HN))
	((residue 52 and name HA)) 5.50 3.70 0.00

!assign ((residue 16 and name HB2) or 
!	(residue 16 and name HB1))
!	((residue 26 and name HA)) 3.86 2.06 0.00

assign ((residue 35 and name HB2) or 
	(residue 35 and name HB1))
	((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11)) 4.69 2.89 0.00

assign ((residue 54 and name HN))
	((residue 54 and name HB1) or 
	(residue 54 and name HB2)) 3.45 1.65 0.00

assign ((residue 41 and name HB1) or 
	(residue 41 and name HB2))
	((residue 45 and name HD12) or 
	(residue 45 and name HD13) or 
	(residue 45 and name HD11)) 5.41 3.61 0.00

assign ((residue 42 and name HN))
	((residue 45 and name HD12) or 
	(residue 45 and name HD13) or 
	(residue 45 and name HD11)) 5.50 3.70 0.00

assign ((residue 29 and name HB1) or 
	(residue 29 and name HB2))
	((residue 55 and name HD22) or 
	(residue 55 and name HD12) or 
	(residue 55 and name HD13) or 
	(residue 55 and name HD21) or 
	(residue 55 and name HD11) or 
	(residue 55 and name HD23)) 5.21 3.41 0.00

assign ((residue 25 and name HB1) or 
	(residue 25 and name HB2))
	((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11)) 5.50 3.70 0.00

assign ((residue 43 and name HA))
	((residue 43 and name HD13) or 
	(residue 43 and name HD12) or 
	(residue 43 and name HD11)) 3.25 1.45 0.00

assign ((residue 37 and name HB1) or 
	(residue 37 and name HB2))
	((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11)) 3.29 1.49 0.00

assign ((residue 49 and name HG12) or 
	(residue 49 and name HG11))
	((residue 52 and name HB2) or 
	(residue 52 and name HB1)) 5.19 3.39 0.00

assign ((residue 46 and name HG23) or 
	(residue 46 and name HG22) or 
	(residue 46 and name HG21))
	((residue 47 and name HN)) 3.50 1.70 0.00

assign ((residue 14 and name HB1) or 
	(residue 14 and name HB2))
	((residue 52 and name HD21) or 
	(residue 52 and name HD22)) 4.79 2.99 0.00

assign ((residue 52 and name HA))
	((residue 55 and name HN)) 4.30 2.50 0.00

!assign ((residue 23 and name HA))
!	((residue 39 and name HD2) or 
!	(residue 39 and name HD1)) 5.28 3.48 0.00

assign ((residue 12 and name HB2) or 
	(residue 12 and name HB1))
	((residue 13 and name HD2) or 
	(residue 13 and name HD1)) 4.78 2.98 0.00

assign ((residue 41 and name HD2) or 
	(residue 41 and name HD1))
	((residue 42 and name HN)) 4.79 2.99 0.00

assign ((residue 55 and name HA))
	((residue 55 and name HG)) 3.19 1.39 0.00

assign ((residue 50 and name HA))
	((residue 53 and name HB)) 3.70 1.90 0.00

assign ((residue 42 and name HN))
	((residue 43 and name HA)) 5.50 3.70 0.00

assign ((residue 50 and name HA))
	((residue 52 and name HB2) or 
	(residue 52 and name HB1)) 4.64 2.84 0.00

assign ((residue 16 and name HB2) or 
	(residue 16 and name HB1))
	((residue 17 and name HN)) 5.41 3.61 0.00

assign ((residue 40 and name HB2) or 
	(residue 40 and name HB1))
	((residue 43 and name HG23) or 
	(residue 43 and name HG21) or 
	(residue 43 and name HG22)) 4.09 2.29 0.00

assign ((residue 24 and name HB1) or 
	(residue 24 and name HB2))
	((residue 44 and name HB3) or 
	(residue 44 and name HB1) or 
	(residue 44 and name HB2)) 3.83 2.03 0.00

!assign ((residue 12 and name HD23) or 
!	(residue 12 and name HD11) or 
!	(residue 12 and name HD12) or 
!	(residue 12 and name HD22) or 
!	(residue 12 and name HD13) or 
!	(residue 12 and name HD21))
!	((residue 45 and name HG11) or 
!	(residue 45 and name HG12)) 3.10 1.30 0.00

assign ((residue 18 and name HG23) or 
	(residue 18 and name HG21) or 
	(residue 18 and name HG22))
	((residue 22 and name HN)) 4.18 2.38 0.00

assign ((residue 64 and name HN))
	((residue 64 and name HB1) or 
	(residue 64 and name HB2)) 3.29 1.49 0.00

assign ((residue 49 and name HG23) or 
	(residue 49 and name HG21) or 
	(residue 49 and name HG22))
	((residue 50 and name HG2) or 
	(residue 50 and name HG1)) 3.64 1.84 0.00

assign ((residue 26 and name HN))
	((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11)) 4.73 2.93 0.00

assign ((residue 45 and name HB))
	((residue 46 and name HB)) 5.04 3.24 0.00

assign ((residue 33 and name HG1) or 
	(residue 33 and name HG2))
	((residue 33 and name HD2) or 
	(residue 33 and name HD1)) 2.56 0.76 0.00

assign ((residue 52 and name HB2) or 
	(residue 52 and name HB1))
	((residue 55 and name HD22) or 
	(residue 55 and name HD12) or 
	(residue 55 and name HD13) or 
	(residue 55 and name HD21) or 
	(residue 55 and name HD11) or 
	(residue 55 and name HD23)) 5.49 3.69 0.00

!assign ((residue 12 and name HG))
!	((residue 16 and name HD23) or 
!	(residue 16 and name HD11) or 
!	(residue 16 and name HD12) or 
!	(residue 16 and name HD21) or 
!	(residue 16 and name HD13) or 
!	(residue 16 and name HD22)) 4.69 2.89 0.00

assign ((residue 38 and name HN))
	((residue 39 and name HN)) 4.52 2.72 0.00

assign ((residue 43 and name HG23) or 
	(residue 43 and name HG21) or 
	(residue 43 and name HG22))
	((residue 47 and name HN)) 4.41 2.61 0.00

assign ((residue 40 and name HN))
	((residue 43 and name HB)) 4.43 2.63 0.00

assign ((residue 23 and name HA))
	((residue 39 and name HG1) or 
	(residue 39 and name HG2)) 4.50 2.70 0.00

assign ((residue 42 and name HA))
	((residue 45 and name HD12) or 
	(residue 45 and name HD13) or 
	(residue 45 and name HD11)) 4.22 2.42 0.00

assign ((residue 52 and name HN))
	((residue 53 and name HG12) or 
	(residue 53 and name HG11)) 5.50 3.70 0.00

assign ((residue 42 and name HB2) or 
	(residue 42 and name HB1))
	((residue 42 and name HD2) or 
	(residue 42 and name HD1)) 3.05 1.25 0.00

assign ((residue 30 and name HN))
	((residue 30 and name HD1) or 
	(residue 30 and name HD2)) 4.47 2.67 0.00

assign ((residue 35 and name HA))
	((residue 35 and name HE2) or 
	(residue 35 and name HE1)) 4.20 2.40 0.00

!assign ((residue 28 and name HB2) or 
!	(residue 28 and name HB1))
!	((residue 33 and name HD2) or 
!	(residue 33 and name HD1)) 4.87 3.07 0.00

assign ((residue 42 and name HD2) or 
	(residue 42 and name HD1))
	((residue 43 and name HG11) or 
	(residue 43 and name HG12)) 4.97 3.17 0.00

assign ((residue 26 and name HE1) or 
	(residue 26 and name HE2))
	((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3)) 4.89 3.09 0.00

assign ((residue 26 and name HB2) or 
	(residue 26 and name HB1))
	((residue 27 and name HN)) 4.81 3.01 0.00

assign ((residue 28 and name HA))
	((residue 29 and name HG2) or 
	(residue 29 and name HG1)) 3.99 2.19 0.00

assign ((residue 50 and name HA))
	((residue 50 and name HE21) or 
	(residue 50 and name HE22)) 5.50 3.70 0.00

assign ((residue 26 and name HB2) or 
	(residue 26 and name HB1))
	((residue 35 and name HB2) or 
	(residue 35 and name HB1)) 5.03 3.23 0.00

!assign ((residue 16 and name HA))
!	((residue 37 and name HD21) or 
!	(residue 37 and name HD23) or 
!	(residue 37 and name HD12) or 
!	(residue 37 and name HD22) or 
!	(residue 37 and name HD13) or 
!	(residue 37 and name HD11)) 5.01 3.21 0.00

assign ((residue 51 and name HA))
	((residue 55 and name HG)) 4.65 2.85 0.00

assign ((residue 12 and name HD23) or 
	(residue 12 and name HD11) or 
	(residue 12 and name HD12) or 
	(residue 12 and name HD22) or 
	(residue 12 and name HD13) or 
	(residue 12 and name HD21))
	((residue 17 and name HB1) or 
	(residue 17 and name HB2)) 4.95 3.15 0.00

assign ((residue 54 and name HN))
	((residue 56 and name HB2) or 
	(residue 56 and name HB1)) 5.50 3.70 0.00

assign ((residue 53 and name HG21) or 
	(residue 53 and name HG23) or 
	(residue 53 and name HG22))
	((residue 56 and name HD1) or 
	(residue 56 and name HD2)) 5.50 3.70 0.00

assign ((residue 13 and name HA))
	((residue 14 and name HD2) or 
	(residue 14 and name HD1)) 3.33 1.53 0.00

assign ((residue 39 and name HN))
	((residue 40 and name HB2) or 
	(residue 40 and name HB1)) 5.50 3.70 0.00

assign ((residue 31 and name HG22) or 
	(residue 31 and name HG21) or 
	(residue 31 and name HG23))
	((residue 33 and name HN)) 4.88 3.08 0.00

assign ((residue 59 and name HA))
	((residue 59 and name HB2) or 
	(residue 59 and name HB1)) 2.66 0.86 0.00

assign ((residue 55 and name HB2) or 
	(residue 55 and name HB1))
	((residue 56 and name HB2) or 
	(residue 56 and name HB1)) 4.79 2.99 0.00

assign ((residue 18 and name HG11) or 
	(residue 18 and name HG12))
	((residue 22 and name HN)) 5.00 3.20 0.00

assign ((residue 41 and name HN))
	((residue 43 and name HB)) 4.07 2.27 0.00

assign ((residue 16 and name HG))
	((residue 24 and name HD1) or 
	(residue 24 and name HD2)) 4.94 3.14 0.00

assign ((residue 50 and name HA))
	((residue 53 and name HD12) or 
	(residue 53 and name HD11) or 
	(residue 53 and name HD13)) 3.68 1.88 0.00

assign ((residue 13 and name HB1) or 
	(residue 13 and name HB2))
	((residue 49 and name HG12) or 
	(residue 49 and name HG11)) 4.04 2.24 0.00

assign ((residue 58 and name HA1) or 
	(residue 58 and name HA2))
	((residue 59 and name HA)) 4.86 3.06 0.00

assign ((residue 49 and name HB))
	((residue 49 and name HD12) or 
	(residue 49 and name HD11) or 
	(residue 49 and name HD13)) 3.30 1.50 0.00

assign ((residue 26 and name HN))
	((residue 26 and name HB2) or 
	(residue 26 and name HB1)) 3.70 1.90 0.00

!assign ((residue 21 and name HB1) or 
!	(residue 21 and name HB2))
!	((residue 23 and name HN)) 5.50 3.70 0.00

assign ((residue 41 and name HB1) or 
	(residue 41 and name HB2))
	((residue 41 and name HD2) or 
	(residue 41 and name HD1)) 3.28 1.48 0.00

assign ((residue 30 and name HN))
	((residue 32 and name HN)) 4.32 2.52 0.00

assign ((residue 24 and name HE2) or 
	(residue 24 and name HE1))
	((residue 41 and name HN)) 5.45 3.65 0.00

assign ((residue 49 and name HB))
	((residue 50 and name HN)) 3.75 1.95 0.00

assign ((residue 37 and name HB1) or 
	(residue 37 and name HB2))
	((residue 38 and name HN)) 4.49 2.69 0.00

assign ((residue 29 and name HG2) or 
	(residue 29 and name HG1))
	((residue 55 and name HD22) or 
	(residue 55 and name HD12) or 
	(residue 55 and name HD13) or 
	(residue 55 and name HD21) or 
	(residue 55 and name HD11) or 
	(residue 55 and name HD23)) 3.49 1.69 0.00

assign ((residue 47 and name HN))
	((residue 47 and name HB1) or 
	(residue 47 and name HB2)) 3.34 1.54 0.00

assign ((residue 39 and name HA))
	((residue 39 and name HG1) or 
	(residue 39 and name HG2)) 4.27 2.47 0.00

assign ((residue 18 and name HA))
	((residue 18 and name HD13) or 
	(residue 18 and name HD12) or 
	(residue 18 and name HD11)) 3.79 1.99 0.00

assign ((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22))
	((residue 24 and name HE2) or 
	(residue 24 and name HE1)) 5.28 3.48 0.00

assign ((residue 36 and name HN))
	((residue 37 and name HN)) 5.33 3.53 0.00

assign ((residue 52 and name HN))
	((residue 54 and name HN)) 5.26 3.46 0.00

assign ((residue 45 and name HN))
	((residue 45 and name HG22) or 
	(residue 45 and name HG23) or 
	(residue 45 and name HG21)) 3.79 1.99 0.00

assign ((residue 23 and name HA))
	((residue 24 and name HN)) 3.43 1.63 0.00

assign ((residue 53 and name HB))
	((residue 54 and name HG1) or 
	(residue 54 and name HG2)) 2.81 1.01 0.00

assign ((residue 30 and name HN))
	((residue 31 and name HN)) 3.37 1.57 0.00

assign ((residue 49 and name HN))
	((residue 49 and name HB)) 3.41 1.61 0.00

assign ((residue 37 and name HN))
	((residue 44 and name HB3) or 
	(residue 44 and name HB1) or 
	(residue 44 and name HB2)) 4.87 3.07 0.00

assign ((residue 30 and name HA))
	((residue 31 and name HG22) or 
	(residue 31 and name HG21) or 
	(residue 31 and name HG23)) 5.27 3.47 0.00

assign ((residue 16 and name HN))
	((residue 16 and name HG)) 5.36 3.56 0.00

assign ((residue 56 and name HA))
	((residue 56 and name HD1) or 
	(residue 56 and name HD2)) 3.25 1.45 0.00

assign ((residue 18 and name HG23) or 
	(residue 18 and name HG21) or 
	(residue 18 and name HG22))
	((residue 24 and name HD1) or 
	(residue 24 and name HD2)) 5.28 3.48 0.00

assign ((residue 37 and name HA))
	((residue 44 and name HA)) 4.75 2.95 0.00

assign ((residue 11 and name HA))
	((residue 11 and name HB2) or 
	(residue 11 and name HB1)) 2.81 1.01 0.00

assign ((residue 51 and name HA))
	((residue 53 and name HG12) or 
	(residue 53 and name HG11)) 5.06 3.26 0.00

assign ((residue 11 and name HB2) or 
	(residue 11 and name HB1))
	((residue 12 and name HD23) or 
	(residue 12 and name HD11) or 
	(residue 12 and name HD12) or 
	(residue 12 and name HD22) or 
	(residue 12 and name HD13) or 
	(residue 12 and name HD21)) 5.42 3.62 0.00

assign ((residue 15 and name HB1) or 
	(residue 15 and name HB2))
	((residue 26 and name HE1) or 
	(residue 26 and name HE2)) 4.05 2.25 0.00

assign ((residue 33 and name HB1) or 
	(residue 33 and name HB2))
	((residue 33 and name HD2) or 
	(residue 33 and name HD1)) 3.88 2.08 0.00

assign ((residue 49 and name HB))
	((residue 50 and name HA)) 4.82 3.02 0.00

assign ((residue 60 and name HB2) or 
	(residue 60 and name HB1))
	((residue 60 and name HG1) or 
	(residue 60 and name HG2)) 3.04 1.24 0.00

assign ((residue 13 and name HB1) or 
	(residue 13 and name HB2))
	((residue 49 and name HN)) 5.43 3.63 0.00

assign ((residue 13 and name HB1) or 
	(residue 13 and name HB2))
	((residue 14 and name HD2) or 
	(residue 14 and name HD1)) 3.92 2.12 0.00

assign ((residue 52 and name HA))
	((residue 55 and name HG)) 4.11 2.31 0.00

assign ((residue 28 and name HB2) or 
	(residue 28 and name HB1))
	((residue 31 and name HN)) 5.42 3.62 0.00

assign ((residue 27 and name HA))
	((residue 34 and name HG2) or 
	(residue 34 and name HG1)) 4.64 2.84 0.00

assign ((residue 52 and name HN))
	((residue 52 and name HB2) or 
	(residue 52 and name HB1)) 3.68 1.88 0.00

assign ((residue 51 and name HA))
	((residue 55 and name HN)) 4.27 2.47 0.00

assign ((residue 16 and name HN))
	((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22)) 4.07 2.27 0.00

assign ((residue 26 and name HE1) or 
	(residue 26 and name HE2))
	((residue 29 and name HD1) or 
	(residue 29 and name HD2)) 4.70 2.90 0.00

assign ((residue 27 and name HA))
	((residue 27 and name HD1) or 
	(residue 27 and name HD2)) 4.31 2.51 0.00

assign ((residue 53 and name HA))
	((residue 53 and name HD12) or 
	(residue 53 and name HD11) or 
	(residue 53 and name HD13)) 3.13 1.33 0.00

assign ((residue 23 and name HD2) or 
	(residue 23 and name HD1))
	((residue 39 and name HN)) 4.93 3.13 0.00

assign ((residue 41 and name HN))
	((residue 45 and name HD12) or 
	(residue 45 and name HD13) or 
	(residue 45 and name HD11)) 5.50 3.70 0.00

assign ((residue 45 and name HA))
	((residue 48 and name HN)) 4.39 2.59 0.00

assign ((residue 34 and name HN))
	((residue 34 and name HG2) or 
	(residue 34 and name HG1)) 4.79 2.99 0.00

assign ((residue 23 and name HA))
	((residue 39 and name HA)) 3.89 2.09 0.00

assign ((residue 27 and name HA))
	((residue 34 and name HB1) or 
	(residue 34 and name HB2)) 4.92 3.12 0.00

assign ((residue 33 and name HN))
	((residue 33 and name HD2) or 
	(residue 33 and name HD1)) 3.43 1.63 0.00

assign ((residue 14 and name HB1) or 
	(residue 14 and name HB2))
	((residue 15 and name HN)) 4.21 2.41 0.00

assign ((residue 23 and name HE1) or 
	(residue 23 and name HE2))
	((residue 36 and name HA2) or 
	(residue 36 and name HA1)) 4.16 2.36 0.00

assign ((residue 53 and name HG21) or 
	(residue 53 and name HG23) or 
	(residue 53 and name HG22))
	((residue 54 and name HG1) or 
	(residue 54 and name HG2)) 4.22 2.42 0.00

assign ((residue 33 and name HN))
	((residue 33 and name HB1) or 
	(residue 33 and name HB2)) 3.64 1.84 0.00

assign ((residue 16 and name HN))
	((residue 17 and name HN)) 5.10 3.30 0.00

assign ((residue 14 and name HD2) or 
	(residue 14 and name HD1))
	((residue 52 and name HD21) or 
	(residue 52 and name HD22)) 4.86 3.06 0.00

assign ((residue 12 and name HA))
	((residue 12 and name HD23) or 
	(residue 12 and name HD11) or 
	(residue 12 and name HD12) or 
	(residue 12 and name HD22) or 
	(residue 12 and name HD13) or 
	(residue 12 and name HD21)) 3.14 1.34 0.00

assign ((residue 12 and name HA))
	((residue 49 and name HD12) or 
	(residue 49 and name HD11) or 
	(residue 49 and name HD13)) 5.47 3.67 0.00

assign ((residue 28 and name HN))
	((residue 29 and name HA)) 5.50 3.70 0.00

assign ((residue 21 and name HA))
	((residue 21 and name HB1) or 
	(residue 21 and name HB2)) 3.05 1.25 0.00

assign ((residue 21 and name HN))
	((residue 21 and name HB1) or 
	(residue 21 and name HB2)) 4.03 2.23 0.00

assign ((residue 41 and name HB1) or 
	(residue 41 and name HB2))
	((residue 42 and name HN)) 2.98 1.18 0.00

assign ((residue 16 and name HA))
	((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3)) 4.47 2.67 0.00

assign ((residue 13 and name HG2) or 
	(residue 13 and name HG1))
	((residue 15 and name HN)) 5.50 3.70 0.00

assign ((residue 25 and name HA))
	((residue 38 and name HN)) 5.50 3.70 0.00

assign ((residue 45 and name HG22) or 
	(residue 45 and name HG23) or 
	(residue 45 and name HG21))
	((residue 45 and name HG11) or 
	(residue 45 and name HG12)) 3.03 1.23 0.00

assign ((residue 18 and name HA))
	((residue 24 and name HA)) 3.52 1.72 0.00

assign ((residue 43 and name HG23) or 
	(residue 43 and name HG21) or 
	(residue 43 and name HG22))
	((residue 43 and name HG11) or 
	(residue 43 and name HG12)) 3.10 1.30 0.00

assign ((residue 21 and name HB1) or 
	(residue 21 and name HB2))
	((residue 21 and name HD21) or 
	(residue 21 and name HD22)) 4.02 2.22 0.00

assign ((residue 57 and name HN))
	((residue 57 and name HB2) or 
	(residue 57 and name HB1)) 3.36 1.56 0.00

assign ((residue 49 and name HA))
	((residue 52 and name HB2) or 
	(residue 52 and name HB1)) 4.05 2.25 0.00

assign ((residue 45 and name HN))
	((residue 45 and name HB)) 3.51 1.71 0.00

assign ((residue 23 and name HB2) or 
	(residue 23 and name HB1))
	((residue 24 and name HN)) 5.11 3.31 0.00

!assign ((residue 23 and name HB2) or 
!	(residue 23 and name HB1))
!!	((residue 39 and name HB1) or 
!	(residue 39 and name HB2)) 4.77 2.97 0.00

assign ((residue 24 and name HD1) or 
	(residue 24 and name HD2))
	((residue 39 and name HA)) 3.91 2.11 0.00

assign ((residue 26 and name HE1) or 
	(residue 26 and name HE2))
	((residue 51 and name HB2) or 
	(residue 51 and name HB1) or 
	(residue 51 and name HB3)) 3.61 1.81 0.00

assign ((residue 18 and name HG11) or 
	(residue 18 and name HG12))
	((residue 19 and name HN)) 4.79 2.99 0.00

assign ((residue 30 and name HD1) or 
	(residue 30 and name HD2))
	((residue 31 and name HG22) or 
	(residue 31 and name HG21) or 
	(residue 31 and name HG23)) 4.98 3.18 0.00

assign ((residue 28 and name HN))
	((residue 34 and name HA)) 4.35 2.55 0.00

assign ((residue 39 and name HN))
	((residue 39 and name HD2) or 
	(residue 39 and name HD1)) 3.57 1.77 0.00

assign ((residue 43 and name HG23) or 
	(residue 43 and name HG21) or 
	(residue 43 and name HG22))
	((residue 44 and name HN)) 3.38 1.58 0.00

assign ((residue 50 and name HA))
	((residue 50 and name HG2) or 
	(residue 50 and name HG1)) 2.86 1.06 0.00

assign ((residue 23 and name HE1) or 
	(residue 23 and name HE2))
	((residue 39 and name HD2) or 
	(residue 39 and name HD1)) 5.04 3.24 0.00

assign ((residue 13 and name HB1) or 
	(residue 13 and name HB2))
	((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3)) 5.15 3.35 0.00

assign ((residue 12 and name HD23) or 
	(residue 12 and name HD11) or 
	(residue 12 and name HD12) or 
	(residue 12 and name HD22) or 
	(residue 12 and name HD13) or 
	(residue 12 and name HD21))
	((residue 13 and name HD2) or 
	(residue 13 and name HD1)) 3.91 2.11 0.00

assign ((residue 38 and name HN))
	((residue 39 and name HA)) 5.07 3.27 0.00

assign ((residue 34 and name HN))
	((residue 34 and name HB1) or 
	(residue 34 and name HB2)) 3.92 2.12 0.00

assign ((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22))
	((residue 45 and name HA)) 3.19 1.39 0.00

assign ((residue 12 and name HB2) or 
	(residue 12 and name HB1))
	((residue 45 and name HG22) or 
	(residue 45 and name HG23) or 
	(residue 45 and name HG21)) 4.45 2.65 0.00

assign ((residue 55 and name HA))
	((residue 55 and name HD22) or 
	(residue 55 and name HD12) or 
	(residue 55 and name HD13) or 
	(residue 55 and name HD21) or 
	(residue 55 and name HD11) or 
	(residue 55 and name HD23)) 3.20 1.40 0.00

assign ((residue 43 and name HA))
	((residue 46 and name HG23) or 
	(residue 46 and name HG22) or 
	(residue 46 and name HG21)) 4.21 2.41 0.00

assign ((residue 32 and name HN))
	((residue 33 and name HN)) 3.49 1.69 0.00

assign ((residue 25 and name HB1) or 
	(residue 25 and name HB2))
	((residue 26 and name HN)) 4.04 2.24 0.00

assign ((residue 24 and name HN))
	((residue 39 and name HA)) 4.97 3.17 0.00

assign ((residue 28 and name HB2) or 
	(residue 28 and name HB1))
	((residue 31 and name HG22) or 
	(residue 31 and name HG21) or 
	(residue 31 and name HG23)) 4.98 3.18 0.00

assign ((residue 22 and name HN))
	((residue 23 and name HN)) 3.45 1.65 0.00

assign ((residue 44 and name HA))
	((residue 47 and name HN)) 4.10 2.30 0.00

assign ((residue 18 and name HN))
	((residue 18 and name HD13) or 
	(residue 18 and name HD12) or 
	(residue 18 and name HD11)) 4.77 2.97 0.00

assign ((residue 35 and name HN))
	((residue 35 and name HD2) or 
	(residue 35 and name HD1)) 4.59 2.79 0.00

assign ((residue 21 and name HB1) or 
	(residue 21 and name HB2))
	((residue 22 and name HN)) 5.18 3.38 0.00

assign ((residue 33 and name HG1) or 
	(residue 33 and name HG2))
	((residue 34 and name HN)) 4.57 2.77 0.00

assign ((residue 35 and name HB2) or 
	(residue 35 and name HB1))
	((residue 36 and name HN)) 4.21 2.41 0.00

assign ((residue 18 and name HG11) or 
	(residue 18 and name HG12))
	((residue 24 and name HD1) or 
	(residue 24 and name HD2)) 4.84 3.04 0.00

assign ((residue 43 and name HA))
	((residue 43 and name HG23) or 
	(residue 43 and name HG21) or 
	(residue 43 and name HG22)) 3.17 1.37 0.00

assign ((residue 15 and name HN))
	(residue 16 and name HB#) 5.50 3.70 0.00

!assign ((residue 16 and name HB2) or 
!	(residue 16 and name HB1))
!	((residue 26 and name HB2) or 
!	(residue 26 and name HB1)) 4.92 3.12 0.00

assign ((residue 31 and name HN))
	((residue 33 and name HN)) 4.21 2.41 0.00

assign ((residue 31 and name HN))
	((residue 32 and name HA1) or 
	(residue 32 and name HA2)) 4.86 3.06 0.00

assign ((residue 46 and name HA))
	((residue 46 and name HG23) or 
	(residue 46 and name HG22) or 
	(residue 46 and name HG21)) 3.08 1.28 0.00

assign ((residue 16 and name HN))
	((residue 26 and name HA)) 5.50 3.70 0.00

assign ((residue 42 and name HN))
	((residue 42 and name HG2) or 
	(residue 42 and name HG1)) 3.90 2.10 0.00

assign ((residue 15 and name HN))
	((residue 15 and name HD22) or 
	(residue 15 and name HD21)) 5.50 3.70 0.00

assign ((residue 31 and name HA))
	((residue 31 and name HB)) 2.97 1.17 0.00

assign ((residue 55 and name HN))
	((residue 55 and name HB2) or 
	(residue 55 and name HB1)) 3.16 1.36 0.00

assign ((residue 52 and name HA))
	((residue 54 and name HN)) 5.50 3.70 0.00

assign ((residue 49 and name HA))
	((residue 52 and name HD21) or 
	(residue 52 and name HD22)) 4.07 2.27 0.00

assign ((residue 38 and name HN))
	((residue 44 and name HB3) or 
	(residue 44 and name HB1) or 
	(residue 44 and name HB2)) 5.43 3.63 0.00

assign ((residue 24 and name HE2) or 
	(residue 24 and name HE1))
	((residue 44 and name HB3) or 
	(residue 44 and name HB1) or 
	(residue 44 and name HB2)) 5.07 3.27 0.00

assign ((residue 25 and name HA))
	((residue 26 and name HA)) 5.06 3.26 0.00

assign ((residue 42 and name HA))
	((residue 43 and name HD13) or 
	(residue 43 and name HD12) or 
	(residue 43 and name HD11)) 5.14 3.34 0.00

assign ((residue 49 and name HG23) or 
	(residue 49 and name HG21) or 
	(residue 49 and name HG22))
	((residue 50 and name HN)) 3.69 1.89 0.00

assign ((residue 18 and name HG23) or 
	(residue 18 and name HG21) or 
	(residue 18 and name HG22))
	((residue 22 and name HA2) or 
	(residue 22 and name HA1)) 3.69 1.89 0.00

assign ((residue 15 and name HD22) or 
	(residue 15 and name HD21))
	((residue 26 and name HE1) or 
	(residue 26 and name HE2)) 5.35 3.55 0.00

assign ((residue 38 and name HA1) or 
	(residue 38 and name HA2))
	((residue 44 and name HB3) or 
	(residue 44 and name HB1) or 
	(residue 44 and name HB2)) 5.40 3.60 0.00

assign ((residue 23 and name HD2) or 
	(residue 23 and name HD1))
	((residue 25 and name HN)) 5.50 3.70 0.00

!assign ((residue 16 and name HD23) or 
!	(residue 16 and name HD11) or 
!	(residue 16 and name HD12) or 
!	(residue 16 and name HD21) or 
!	(residue 16 and name HD13) or 
!	(residue 16 and name HD22))
!	((residue 18 and name HN)) 5.50 3.70 0.00

!assign ((residue 23 and name HN))
!	((residue 23 and name HB2) or 
!	(residue 23 and name HB1)) 3.85 2.05 0.00

assign ((residue 43 and name HA))
	((residue 44 and name HA)) 4.90 3.10 0.00

assign ((residue 30 and name HB2) or 
	(residue 30 and name HB1))
	((residue 31 and name HG22) or 
	(residue 31 and name HG21) or 
	(residue 31 and name HG23)) 3.78 1.98 0.00

assign ((residue 40 and name HB2) or 
	(residue 40 and name HB1))
	((residue 43 and name HD13) or 
	(residue 43 and name HD12) or 
	(residue 43 and name HD11)) 3.70 1.90 0.00

assign ((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22))
	((residue 24 and name HB1) or 
	(residue 24 and name HB2)) 3.78 1.98 0.00

assign ((residue 19 and name HB1) or 
	(residue 19 and name HB2))
	((residue 20 and name HN)) 4.06 2.26 0.00

!assign ((residue 13 and name HD2) or 
!	(residue 13 and name HD1))
!   ((residue 16 and name HG)) 5.40 3.60 0.00

assign ((residue 18 and name HA))
	((residue 18 and name HG23) or 
	(residue 18 and name HG21) or 
	(residue 18 and name HG22)) 3.59 1.79 0.00

assign ((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3))
	((residue 49 and name HG12) or 
	(residue 49 and name HG11)) 4.81 3.01 0.00

assign ((residue 45 and name HN))
	((residue 46 and name HN)) 3.68 1.88 0.00

assign ((residue 60 and name HA))
	((residue 63 and name HD1) or 
	(residue 63 and name HD2)) 2.79 0.99 0.00

!assign ((residue 23 and name HN))
!	((residue 39 and name HB1) or 
!	(residue 39 and name HB2)) 5.50 3.70 0.00

assign ((residue 53 and name HD12) or 
	(residue 53 and name HD11) or 
	(residue 53 and name HD13))
	((residue 56 and name HB2) or 
	(residue 56 and name HB1)) 4.73 2.93 0.00

assign ((residue 18 and name HG11) or 
	(residue 18 and name HG12))
	((residue 24 and name HA)) 4.40 2.60 0.00

assign ((residue 12 and name HA))
	((residue 12 and name HG)) 4.48 2.68 0.00

assign ((residue 15 and name HD22) or 
	(residue 15 and name HD21))
	((residue 52 and name HD21) or 
	(residue 52 and name HD22)) 5.50 3.70 0.00

assign ((residue 53 and name HB))
	((residue 54 and name HN)) 3.01 1.21 0.00

!assign ((residue 32 and name HN))
!	((residue 33 and name HD2) or 
!	(residue 33 and name HD1)) 5.50 3.70 0.00

!assign ((residue 13 and name HD2) or 
!	(residue 13 and name HD1))
!	((residue 16 and name HB2) or 
!	(residue 16 and name HB1)) 4.87 3.07 0.00

assign ((residue 26 and name HD2) or 
	(residue 26 and name HD1))
	((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3)) 3.37 1.57 0.00

assign ((residue 15 and name HD22) or 
	(residue 15 and name HD21))
	((residue 55 and name HD22) or 
	(residue 55 and name HD12) or 
	(residue 55 and name HD13) or 
	(residue 55 and name HD21) or 
	(residue 55 and name HD11) or 
	(residue 55 and name HD23)) 4.01 2.21 0.00

assign ((residue 13 and name HG2) or 
	(residue 13 and name HG1))
	((residue 49 and name HG12) or 
	(residue 49 and name HG11)) 3.51 1.71 0.00

assign ((residue 18 and name HB))
	((residue 24 and name HA)) 4.97 3.17 0.00

assign ((residue 34 and name HN))
	((residue 35 and name HN)) 5.25 3.45 0.00

assign ((residue 31 and name HA))
	((residue 31 and name HG22) or 
	(residue 31 and name HG21) or 
	(residue 31 and name HG23)) 2.93 1.13 0.00

assign ((residue 31 and name HN))
	((residue 31 and name HG22) or 
	(residue 31 and name HG21) or 
	(residue 31 and name HG23)) 3.73 1.93 0.00

assign ((residue 39 and name HN))
	((residue 39 and name HB1) or 
	(residue 39 and name HB2)) 3.36 1.56 0.00

assign ((residue 51 and name HN))
	((residue 52 and name HN)) 3.71 1.91 0.00

assign ((residue 49 and name HA))
	((residue 49 and name HG23) or 
	(residue 49 and name HG21) or 
	(residue 49 and name HG22)) 3.16 1.36 0.00

assign ((residue 43 and name HN))
	((residue 45 and name HN)) 5.50 3.70 0.00

!assign ((residue 22 and name HN))
!	((residue 23 and name HB2) or 
!	(residue 23 and name HB1)) 5.50 3.70 0.00

assign ((residue 15 and name HB1) or 
	(residue 15 and name HB2))
	((residue 15 and name HD22) or 
	(residue 15 and name HD21)) 5.06 3.26 0.00

assign ((residue 17 and name HA))
	((residue 18 and name HG23) or 
	(residue 18 and name HG21) or 
	(residue 18 and name HG22)) 4.92 3.12 0.00

assign ((residue 25 and name HN))
	((residue 44 and name HB3) or 
	(residue 44 and name HB1) or 
	(residue 44 and name HB2)) 5.50 3.70 0.00

assign ((residue 21 and name HN))
	((residue 22 and name HN)) 4.22 2.42 0.00

assign ((residue 46 and name HG23) or 
	(residue 46 and name HG22) or 
	(residue 46 and name HG21))
	((residue 50 and name HG2) or 
	(residue 50 and name HG1)) 4.13 2.33 0.00

!assign ((residue 16 and name HA))
!	((residue 17 and name HB1) or 
!	(residue 17 and name HB2)) 4.74 2.94 0.00

assign ((residue 40 and name HA))
	((residue 43 and name HB)) 4.94 3.14 0.00

assign ((residue 52 and name HA))
	((residue 55 and name HD22) or 
	(residue 55 and name HD12) or 
	(residue 55 and name HD13) or 
	(residue 55 and name HD21) or 
	(residue 55 and name HD11) or 
	(residue 55 and name HD23)) 3.67 1.87 0.00

assign ((residue 23 and name HE1) or 
	(residue 23 and name HE2))
	((residue 36 and name HN)) 5.19 3.39 0.00

assign ((residue 55 and name HB2) or 
	(residue 55 and name HB1))
	((residue 56 and name HN)) 3.30 1.50 0.00

assign ((residue 42 and name HD2) or 
	(residue 42 and name HD1))
	((residue 43 and name HD13) or 
	(residue 43 and name HD12) or 
	(residue 43 and name HD11)) 4.53 2.73 0.00

assign ((residue 26 and name HN))
	((residue 27 and name HN)) 5.50 3.70 0.00

!assign ((residue 31 and name HB))
!	((residue 33 and name HE1) or 
!	(residue 33 and name HE2)) 4.92 3.12 0.00

assign ((residue 28 and name HA))
	((residue 30 and name HN)) 5.01 3.21 0.00

assign ((residue 53 and name HN))
	((residue 54 and name HN)) 3.65 1.85 0.00

assign ((residue 43 and name HN))
	((residue 43 and name HD13) or 
	(residue 43 and name HD12) or 
	(residue 43 and name HD11)) 4.08 2.28 0.00

assign ((residue 56 and name HN))
	((residue 56 and name HD1) or 
	(residue 56 and name HD2)) 4.79 2.99 0.00

assign ((residue 23 and name HN))
	((residue 23 and name HD2) or 
	(residue 23 and name HD1)) 5.20 3.40 0.00

assign ((residue 52 and name HN))
	((residue 53 and name HB)) 5.02 3.22 0.00

assign ((residue 26 and name HE1) or 
	(residue 26 and name HE2))
	((residue 28 and name HB2) or 
	(residue 28 and name HB1)) 4.10 2.30 0.00

!assign ((residue 31 and name HA))
!	((residue 33 and name HG1) or 
!	(residue 33 and name HG2)) 4.06 2.26 0.00

assign ((residue 43 and name HD13) or 
	(residue 43 and name HD12) or 
	(residue 43 and name HD11))
	((residue 46 and name HB)) 4.10 2.30 0.00

assign ((residue 50 and name HN))
	((residue 51 and name HN)) 3.60 1.80 0.00

assign ((residue 16 and name HD23) or 
	(residue 16 and name HD11) or 
	(residue 16 and name HD12) or 
	(residue 16 and name HD21) or 
	(residue 16 and name HD13) or 
	(residue 16 and name HD22))
	((residue 48 and name HB2) or 
	(residue 48 and name HB1) or 
	(residue 48 and name HB3)) 3.30 1.50 0.00

assign ((residue 33 and name HB1) or 
	(residue 33 and name HB2))
	((residue 33 and name HE1) or 
	(residue 33 and name HE2)) 2.88 1.08 0.00

assign ((residue 44 and name HB3) or 
	(residue 44 and name HB1) or 
	(residue 44 and name HB2))
	((residue 45 and name HN)) 3.46 1.66 0.00

assign ((residue 28 and name HN))
	((residue 33 and name HN)) 5.50 3.70 0.00

assign ((residue 42 and name HG2) or 
	(residue 42 and name HG1))
	((residue 43 and name HG11) or 
	(residue 43 and name HG12)) 4.19 2.39 0.00

assign ((residue 30 and name HG1) or 
	(residue 30 and name HG2))
	((residue 30 and name HD1) or 
	(residue 30 and name HD2)) 2.88 1.08 0.00

!assign ((residue 16 and name HD23) or 
!	(residue 16 and name HD11) or 
!	(residue 16 and name HD12) or 
!	(residue 16 and name HD21) or 
!	(residue 16 and name HD13) or 
!	(residue 16 and name HD22))
!	((residue 45 and name HG11) or 
!	(residue 45 and name HG12)) 4.32 2.52 0.00

assign ((residue 54 and name HA))
	((residue 54 and name HG1) or 
	(residue 54 and name HG2)) 3.56 1.76 0.00

assign ((residue 30 and name HB2) or 
	(residue 30 and name HB1))
	((residue 31 and name HN)) 4.85 3.05 0.00

assign ((residue 43 and name HB))
	((residue 44 and name HN)) 3.78 1.98 0.00

assign ((residue 52 and name HA))
	((residue 55 and name HA)) 4.82 3.02 0.00

assign ((residue 55 and name HN))
	((residue 55 and name HG)) 3.54 1.74 0.00

assign ((residue 33 and name HA))
	((residue 33 and name HD2) or 
	(residue 33 and name HD1)) 4.08 2.28 0.00

assign ((residue 37 and name HA))
	((residue 37 and name HD21) or 
	(residue 37 and name HD23) or 
	(residue 37 and name HD12) or 
	(residue 37 and name HD22) or 
	(residue 37 and name HD13) or 
	(residue 37 and name HD11)) 2.92 1.12 0.00

assign ((residue 16 and name HA))
	((residue 17 and name HN)) 3.31 1.51 0.00

!assign ((residue 13 and name HD2) or 
!	(residue 13 and name HD1))
!	((residue 15 and name HN)) 5.42 3.62 0.00

assign ((residue 12 and name HB2) or 
	(residue 12 and name HB1))
	((residue 49 and name HD12) or 
	(residue 49 and name HD11) or 
	(residue 49 and name HD13)) 5.39 3.59 0.00

assign ((residue 25 and name HA))
	((residue 26 and name HB2) or 
	(residue 26 and name HB1)) 4.62 2.82 0.00

assign ((residue 40 and name HA))
	((residue 41 and name HN)) 3.48 1.68 0.00

! original data found at 
!/auto_nfs/data8/users/fadeev/CALCULATIONS/IntDNA/IntDNA/Iter30.1/hnha.txt

!script
!/auto_nfs/data8/users/fadeev/bin/bingo/hnha.pl

Contact the webmaster for help, if required. Sunday, June 23, 2024 7:06:40 PM GMT (wattos1)