Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
24139 | 2k0q RC | 15655 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | simple |
set message=on echo=on end ! ATNOS/CANDID version 1.1 ! Distance constraint file from ATNOS/CANDID ! File format : cns ! File generated: 2006 May 7th, 1:51:17 !assign ((resid 1 and name HA )) ((resid 1 and name HG* )) 3.66 1.86 0.00 ! #SUP 1.99 assign ((resid 1 and name HG* )) ((resid 2 and name HN )) 4.91 3.11 0.00 ! #SUP 3.52 assign ((resid 1 and name HG* )) ((resid 3 and name HE# )) 3.19 1.39 0.00 ! #SUP 1.38 !assign ((resid 1 and name HG* )) ((resid 6 and name HG1* )) 3.08 1.28 0.00 ! #SUP 1.89 !assign ((resid 1 and name HG* )) ((resid 6 and name HG2* )) 2.64 0.84 0.00 ! #SUP 1.76 assign ((resid 1 and name HG* )) ((resid 18 and name HA )) 5.50 3.70 0.00 ! #SUP 1.27 assign (resid 1 and name HG##) (resid 6 and name HG1#) 4.500 2.7 0.0 ! mhnoesy_final2.67 assign (resid 1 and name HG##) (resid 6 and name HG2#) 4.500 2.7 0.0 ! mhnoesy_final2.66 assign ((resid 2 and name HA )) ((resid 3 and name HN )) 2.82 1.02 0.00 ! #SUP 4.27 assign ((resid 2 and name HB1 )) ((resid 3 and name HN )) 4.45 2.65 0.00 ! #SUP 5.36 assign ((resid 2 and name HB1 )) ((resid 4 and name HN )) 4.99 3.19 0.00 ! #SUP 3.35 assign ((resid 2 and name HB2 )) ((resid 3 and name HN )) 4.30 2.50 0.00 ! #SUP 5.36 assign ((resid 2 and name HB2 )) ((resid 4 and name HN )) 5.02 3.22 0.00 ! #SUP 3.35 !assign ((resid 3 and name HA )) ((resid 3 and name HE# )) 3.47 1.67 0.00 ! #SUP 3.50 !assign ((resid 3 and name HA )) ((resid 3 and name HG1 )) 3.69 1.89 0.00 ! #SUP 6.00 !assign ((resid 3 and name HA )) ((resid 3 and name HG2 )) 3.99 2.19 0.00 ! #SUP 5.66 assign ((resid 3 and name HA )) ((resid 5 and name HN )) 4.14 2.34 0.00 ! #SUP 5.69 assign ((resid 3 and name HA )) ((resid 6 and name HG1* )) 3.31 1.51 0.00 ! #SUP 5.61 assign ((resid 3 and name HA )) ((resid 6 and name HN )) 3.83 2.03 0.00 ! #SUP 4.73 assign ((resid 3 and name HB2 )) ((resid 4 and name HN )) 4.34 2.54 0.00 ! #SUP 5.90 assign ((resid 3 and name HG1 )) ((resid 4 and name HN )) 5.05 3.25 0.00 ! #SUP 6.45 !assign ((resid 3 and name HG2 )) ((resid 3 and name HE# )) 3.15 1.35 0.00 ! #SUP 3.26 assign ((resid 3 and name HN )) ((resid 3 and name HB2 )) 3.59 1.79 0.00 ! #SUP 6.01 assign ((resid 3 and name HN )) ((resid 3 and name HG1 )) 3.42 1.62 0.00 ! #SUP 6.41 assign ((resid 3 and name HN )) ((resid 3 and name HG2 )) 3.79 1.99 0.00 ! #SUP 6.38 assign ((resid 3 and name HN )) ((resid 4 and name HN )) 3.29 1.49 0.00 ! #SUP 8.05 assign ((resid 3 and name HN )) ((resid 5 and name HN )) 4.80 3.00 0.00 ! #SUP 4.26 assign ((resid 3 and name HN )) ((resid 6 and name HG1* )) 5.01 3.21 0.00 ! #SUP 3.95 assign (resid 3 and name HE# ) (resid 1 and name HG##) 4.500 2.7 0.0 ! mhnoesy_final2.39 assign (resid 3 and name HE# ) (resid 6 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.41 assign (resid 3 and name HE# ) (resid 6 and name HG2#) 5.500 3.7 0.0 ! mhnoesy_final2.40 !assign ((resid 4 and name HA )) ((resid 4 and name HB* )) 2.71 0.91 0.00 ! #SUP 2.00 assign ((resid 4 and name HA )) ((resid 5 and name HN )) 3.63 1.83 0.00 ! #SUP 4.57 assign ((resid 4 and name HB* )) ((resid 5 and name HN )) 3.85 2.05 0.00 ! #SUP 4.57 assign ((resid 4 and name HB* )) ((resid 6 and name HN )) 4.75 2.95 0.00 ! #SUP 4.15 assign ((resid 4 and name HN )) ((resid 4 and name HB* )) 3.08 1.28 0.00 ! #SUP 4.20 assign ((resid 4 and name HN )) ((resid 5 and name HA )) 4.93 3.13 0.00 ! #SUP 5.06 assign ((resid 4 and name HN )) ((resid 5 and name HN )) 3.39 1.59 0.00 ! #SUP 9.21 assign ((resid 4 and name HN )) ((resid 6 and name HG1* )) 5.12 3.32 0.00 ! #SUP 6.27 assign ((resid 4 and name HN )) ((resid 6 and name HN )) 4.37 2.57 0.00 ! #SUP 8.48 !assign ((resid 5 and name HA )) ((resid 5 and name HD2* )) 3.86 2.06 0.00 ! #SUP 4.58 assign ((resid 5 and name HA )) ((resid 6 and name HN )) 3.61 1.81 0.00 ! #SUP 6.68 assign ((resid 5 and name HA )) ((resid 22 and name HB* )) 3.74 1.94 0.00 ! #SUP 4.97 assign ((resid 5 and name HA )) ((resid 22 and name HD* )) 3.37 1.57 0.00 ! #SUP 3.86 assign ((resid 5 and name HA )) ((resid 22 and name HG* )) 3.62 1.82 0.00 ! #SUP 4.02 assign ((resid 5 and name HA )) ((resid 22 and name HN )) 4.97 3.17 0.00 ! #SUP 6.28 !assign ((resid 5 and name HB1 )) ((resid 5 and name HD2* )) 3.77 1.97 0.00 ! #SUP 4.49 assign ((resid 5 and name HB1 )) ((resid 6 and name HN )) 4.49 2.69 0.00 ! #SUP 6.68 assign ((resid 5 and name HB1 )) ((resid 21 and name HD* )) 4.22 2.42 0.00 ! #SUP 4.42 assign ((resid 5 and name HB1 )) ((resid 22 and name HN )) 5.21 3.41 0.00 ! #SUP 4.14 assign ((resid 5 and name HB2 )) ((resid 6 and name HN )) 4.48 2.68 0.00 ! #SUP 6.17 assign ((resid 5 and name HB2 )) ((resid 22 and name HB* )) 4.03 2.23 0.00 ! #SUP 2.86 assign ((resid 5 and name HD2* )) ((resid 6 and name HA )) 4.29 2.49 0.00 ! #SUP 4.83 assign ((resid 5 and name HD2* )) ((resid 6 and name HB )) 3.46 1.66 0.00 ! #SUP 5.02 assign ((resid 5 and name HD2* )) ((resid 6 and name HG2* )) 3.93 2.13 0.00 ! #SUP 4.88 assign ((resid 5 and name HD2* )) ((resid 6 and name HN )) 4.15 2.35 0.00 ! #SUP 7.67 assign ((resid 5 and name HD2* )) ((resid 21 and name HD* )) 3.66 1.86 0.00 ! #SUP 5.77 assign ((resid 5 and name HD2* )) ((resid 22 and name HB* )) 4.94 3.14 0.00 ! #SUP 4.29 assign ((resid 5 and name HD2* )) ((resid 22 and name HD* )) 5.03 3.23 0.00 ! #SUP 3.23 assign ((resid 5 and name HD2* )) ((resid 22 and name HN )) 5.50 3.70 0.00 ! #SUP 6.30 assign ((resid 5 and name HN )) ((resid 5 and name HB1 )) 3.33 1.53 0.00 ! #SUP 6.24 assign ((resid 5 and name HN )) ((resid 5 and name HB2 )) 3.65 1.85 0.00 ! #SUP 5.50 assign ((resid 5 and name HN )) ((resid 6 and name HA )) 4.87 3.07 0.00 ! #SUP 5.22 assign ((resid 5 and name HN )) ((resid 6 and name HG1* )) 4.27 2.47 0.00 ! #SUP 5.95 assign ((resid 5 and name HN )) ((resid 6 and name HN )) 3.22 1.42 0.00 ! #SUP 9.78 assign ((resid 5 and name HN )) ((resid 21 and name HD* )) 5.13 3.33 0.00 ! #SUP 3.10 !assign ((resid 6 and name HA )) ((resid 6 and name HG1* )) 3.44 1.64 0.00 ! #SUP 5.31 !assign ((resid 6 and name HA )) ((resid 6 and name HG2* )) 3.40 1.60 0.00 ! #SUP 5.23 assign ((resid 6 and name HA )) ((resid 7 and name HN )) 3.56 1.76 0.00 ! #SUP 4.74 assign ((resid 6 and name HA )) ((resid 8 and name HN )) 4.04 2.24 0.00 ! #SUP 3.56 assign ((resid 6 and name HA )) ((resid 21 and name HA )) 3.23 1.43 0.00 ! #SUP 6.01 assign ((resid 6 and name HA )) ((resid 21 and name HD* )) 4.20 2.40 0.00 ! #SUP 7.65 assign ((resid 6 and name HA )) ((resid 21 and name HN )) 5.09 3.29 0.00 ! #SUP 3.39 assign ((resid 6 and name HG1* )) ((resid 7 and name HN )) 4.74 2.94 0.00 ! #SUP 4.79 assign ((resid 6 and name HG1* )) ((resid 8 and name HN )) 4.85 3.05 0.00 ! #SUP 3.56 assign ((resid 6 and name HG1* )) ((resid 19 and name HB2 )) 4.77 2.97 0.00 ! #SUP 2.75 assign ((resid 6 and name HG1* )) ((resid 22 and name HN )) 5.50 3.70 0.00 ! #SUP 2.42 !assign ((resid 6 and name HG2* )) ((resid 21 and name HD* )) 4.52 2.72 0.00 ! #SUP 7.29 assign ((resid 6 and name HN )) ((resid 6 and name HB )) 2.96 1.16 0.00 ! #SUP 6.51 assign ((resid 6 and name HN )) ((resid 6 and name HG1* )) 3.48 1.68 0.00 ! #SUP 6.00 assign ((resid 6 and name HN )) ((resid 7 and name HG1* )) 5.50 3.70 0.00 ! #SUP 3.22 assign ((resid 6 and name HN )) ((resid 21 and name HA )) 4.76 2.96 0.00 ! #SUP 4.49 assign ((resid 6 and name HN )) ((resid 21 and name HD* )) 4.96 3.16 0.00 ! #SUP 6.21 assign ((resid 6 and name HN )) ((resid 22 and name HG* )) 5.50 3.70 0.00 ! #SUP 3.32 assign (resid 6 and name HG2#) (resid 20 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.104 !assign (resid 6 and name HG2#) (resid 6 and name HG1#) 5.500 3.7 0.0 ! mhnoesy_final2.105 !assign (resid 7 and name HG2#) (resid 7 and name HG1#) 4.500 2.7 0.0 ! mhnoesy_final2.68 !assign ((resid 7 and name HA )) ((resid 7 and name HB )) 2.96 1.16 0.00 ! #SUP 3.61 !assign ((resid 7 and name HA )) ((resid 7 and name HG1* )) 3.30 1.50 0.00 ! #SUP 4.16 !assign ((resid 7 and name HA )) ((resid 7 and name HG2* )) 3.52 1.72 0.00 ! #SUP 3.82 !assign ((resid 7 and name HG2* )) ((resid 20 and name HG1* )) 3.82 2.02 0.00 ! #SUP 2.83 assign ((resid 7 and name HG2* )) ((resid 21 and name HA )) 4.11 2.31 0.00 ! #SUP 6.52 assign ((resid 7 and name HG2* )) ((resid 22 and name HA )) 3.21 1.41 0.00 ! #SUP 4.68 assign ((resid 7 and name HG2* )) ((resid 23 and name HN )) 5.27 3.47 0.00 ! #SUP 4.75 assign ((resid 7 and name HN )) ((resid 7 and name HG1* )) 4.80 3.00 0.00 ! #SUP 5.62 assign ((resid 7 and name HN )) ((resid 8 and name HN )) 3.63 1.83 0.00 ! #SUP 6.81 assign ((resid 7 and name HN )) ((resid 21 and name HA )) 4.11 2.31 0.00 ! #SUP 10.00 assign ((resid 7 and name HN )) ((resid 21 and name HB1 )) 5.50 3.70 0.00 ! #SUP 5.48 assign ((resid 7 and name HN )) ((resid 21 and name HB2 )) 5.50 3.70 0.00 ! #SUP 5.74 assign ((resid 7 and name HN )) ((resid 21 and name HD* )) 5.29 3.49 0.00 ! #SUP 7.89 !assign ((resid 7 and name HN )) ((resid 21 and name HN )) 4.62 2.82 0.00 ! #SUP 7.54 diagonal assign ((resid 7 and name HN )) ((resid 22 and name HN )) 5.00 3.20 0.00 ! #SUP 8.52 assign (resid 7 and name HG1#) (resid 66 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.86 !assign ((resid 8 and name HA )) ((resid 8 and name HD* )) 3.70 1.90 0.00 ! #SUP 6.89 assign ((resid 8 and name HA )) ((resid 9 and name HB )) 4.23 2.43 0.00 ! #SUP 4.71 assign ((resid 8 and name HA )) ((resid 9 and name HN )) 2.94 1.14 0.00 ! #SUP 7.13 assign ((resid 8 and name HB1 )) ((resid 20 and name HG2* )) 4.18 2.38 0.00 ! #SUP 4.54 assign ((resid 8 and name HB1 )) ((resid 20 and name HN )) 4.95 3.15 0.00 ! #SUP 3.92 !assign ((resid 8 and name HB2 )) ((resid 8 and name HD* )) 2.60 0.80 0.00 ! #SUP 6.21 assign ((resid 8 and name HB2 )) ((resid 9 and name HN )) 4.03 2.23 0.00 ! #SUP 6.48 assign ((resid 8 and name HB2 )) ((resid 20 and name HN )) 5.50 3.70 0.00 ! #SUP 2.53 assign ((resid 8 and name HD* )) ((resid 9 and name HN )) 3.95 2.15 0.00 ! #SUP 6.85 assign ((resid 8 and name HE1 )) ((resid 9 and name HN )) 5.39 3.59 0.00 ! #SUP 5.83 assign ((resid 8 and name HE1 )) ((resid 10 and name HE* )) 4.63 2.83 0.00 ! #SUP 0.63 assign ((resid 8 and name HE2 )) ((resid 9 and name HN )) 5.50 3.70 0.00 ! #SUP 5.46 assign ((resid 8 and name HN )) ((resid 8 and name HB1 )) 4.13 2.33 0.00 ! #SUP 5.36 assign ((resid 8 and name HN )) ((resid 9 and name HN )) 4.94 3.14 0.00 ! #SUP 5.63 assign ((resid 8 and name HN )) ((resid 20 and name HN )) 4.34 2.54 0.00 ! #SUP 5.47 assign ((resid 8 and name HN )) ((resid 21 and name HA )) 4.86 3.06 0.00 ! #SUP 3.68 !assign ((resid 9 and name HA )) ((resid 9 and name HG2* )) 3.75 1.95 0.00 ! #SUP 3.84 assign ((resid 9 and name HA )) ((resid 10 and name HD* )) 4.77 2.97 0.00 ! #SUP 3.14 assign ((resid 9 and name HB )) ((resid 10 and name HN )) 4.81 3.01 0.00 ! #SUP 4.51 assign ((resid 9 and name HG2* )) ((resid 10 and name HN )) 4.08 2.28 0.00 ! #SUP 5.57 assign ((resid 9 and name HG2* )) ((resid 11 and name HN )) 4.94 3.14 0.00 ! #SUP 1.81 assign ((resid 9 and name HG2* )) ((resid 17 and name HB1 )) 3.02 1.22 0.00 ! #SUP 2.65 assign ((resid 9 and name HG2* )) ((resid 17 and name HB2 )) 4.48 2.68 0.00 ! #SUP 2.61 assign ((resid 9 and name HG2* )) ((resid 17 and name HD* )) 3.55 1.75 0.00 ! #SUP 2.22 assign ((resid 9 and name HG2* )) ((resid 18 and name HN )) 4.68 2.88 0.00 ! #SUP 6.12 assign ((resid 9 and name HN )) ((resid 9 and name HB )) 3.29 1.49 0.00 ! #SUP 6.64 assign ((resid 9 and name HN )) ((resid 10 and name HN )) 4.94 3.14 0.00 ! #SUP 4.47 assign (resid 9 and name HG2#) (resid 3 and name HE#) 7.000 5.2 0.0 ! mhnoesy_final2.100 assign (resid 9 and name HG2#) (resid 6 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.101 !assign (resid 10 and name HD#) (resid 10 and name HA) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.202 !assign (resid 10 and name HD#) (resid 10 and name HB1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.214 !assign (resid 10 and name HD#) (resid 10 and name HB2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.216 !assign (resid 10 and name HD#) (resid 10 and name HE#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.20 !assign (resid 10 and name HD#) (resid 10 and name HN) 3.400 1.6 0.0 ! 2dnoesy_aromHN.4 !assign (resid 10 and name HE#) (resid 10 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.201 !assign (resid 10 and name HE#) (resid 10 and name HB1) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.213 !assign (resid 10 and name HE#) (resid 10 and name HB2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.215 !assign (resid 10 and name HE#) (resid 10 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.5 !assign ((resid 10 and name HA )) ((resid 10 and name HD* )) 3.91 2.11 0.00 ! #SUP 4.61 assign ((resid 10 and name HA )) ((resid 11 and name HB2 )) 5.50 3.70 0.00 ! #SUP 3.88 assign ((resid 10 and name HA )) ((resid 11 and name HN )) 2.98 1.18 0.00 ! #SUP 6.56 assign ((resid 10 and name HA )) ((resid 12 and name HD2* )) 5.15 3.35 0.00 ! #SUP 4.09 !assign ((resid 10 and name HA )) ((resid 12 and name HN )) 5.50 3.70 0.00 ! #SUP 3.93 assign ((resid 10 and name HA )) ((resid 18 and name HB )) 5.01 3.21 0.00 ! #SUP 7.14 assign ((resid 10 and name HA )) ((resid 18 and name HN )) 5.21 3.41 0.00 ! #SUP 6.36 assign ((resid 10 and name HA )) ((resid 46 and name HG2* )) 4.72 2.92 0.00 ! #SUP 2.99 !assign ((resid 10 and name HB1 )) ((resid 12 and name HN )) 5.50 3.70 0.00 ! #SUP 2.93 assign ((resid 10 and name HB1 )) ((resid 18 and name HB )) 3.97 2.17 0.00 ! #SUP 6.98 assign ((resid 10 and name HB1 )) ((resid 18 and name HN )) 4.71 2.91 0.00 ! #SUP 6.40 assign ((resid 10 and name HB1 )) ((resid 46 and name HG2* )) 5.16 3.36 0.00 ! #SUP 2.79 assign ((resid 10 and name HB1 )) ((resid 52 and name HD1* )) 5.17 3.37 0.00 ! #SUP 3.11 assign ((resid 10 and name HB2 )) ((resid 18 and name HB )) 3.72 1.92 0.00 ! #SUP 6.61 assign ((resid 10 and name HB2 )) ((resid 18 and name HG2* )) 5.20 3.40 0.00 ! #SUP 4.36 assign ((resid 10 and name HB2 )) ((resid 18 and name HN )) 4.50 2.70 0.00 ! #SUP 6.10 assign ((resid 10 and name HB2 )) ((resid 46 and name HG2* )) 5.50 3.70 0.00 ! #SUP 2.47 assign ((resid 10 and name HB2 )) ((resid 52 and name HD1* )) 5.43 3.63 0.00 ! #SUP 2.74 !assign ((resid 10 and name HD* )) ((resid 11 and name HN )) 4.30 2.50 0.00 ! #SUP 4.28 !assign ((resid 10 and name HD* )) ((resid 18 and name HB )) 3.88 2.08 0.00 ! #SUP 7.51 !assign ((resid 10 and name HD* )) ((resid 18 and name HN )) 4.63 2.83 0.00 ! #SUP 7.84 !assign ((resid 10 and name HD* )) ((resid 19 and name HN )) 4.56 2.76 0.00 ! #SUP 2.09 !assign ((resid 10 and name HD* )) ((resid 20 and name HN )) 5.50 3.70 0.00 ! #SUP 2.00 !assign ((resid 10 and name HD* )) ((resid 46 and name HG2* )) 4.15 2.35 0.00 ! #SUP 2.98 !assign ((resid 10 and name HE* )) ((resid 59 and name HB )) 5.24 3.44 0.00 ! #SUP 2.25 !assign ((resid 10 and name HE* )) ((resid 59 and name HD1* )) 4.12 2.32 0.00 ! #SUP 1.74 !assign ((resid 10 and name HE* )) ((resid 59 and name HG12 )) 4.87 3.07 0.00 ! #SUP 2.25 !assign ((resid 10 and name HE* )) ((resid 59 and name HG2* )) 4.40 2.60 0.00 ! #SUP 1.74 !assign ((resid 10 and name HE* )) ((resid 61 and name HD1 )) 5.03 3.23 0.00 ! #SUP 0.75 !assign ((resid 10 and name HE* )) ((resid 61 and name HD2 )) 5.04 3.24 0.00 ! #SUP 0.75 !assign ((resid 10 and name HN )) ((resid 10 and name HD* )) 3.98 2.18 0.00 ! #SUP 7.00 !assign ((resid 10 and name HN )) ((resid 10 and name HE* )) 5.27 3.47 0.00 ! #SUP 2.83 assign ((resid 10 and name HN )) ((resid 11 and name HN )) 4.95 3.15 0.00 ! #SUP 5.26 !assign ((resid 10 and name HN )) ((resid 17 and name HA )) 4.84 3.04 0.00 ! #SUP 2.30 verifie sur 2d noesy assign ((resid 10 and name HN )) ((resid 18 and name HB )) 4.44 2.64 0.00 ! #SUP 9.34 assign ((resid 10 and name HN )) ((resid 18 and name HN )) 4.34 2.54 0.00 ! #SUP 8.98 assign ((resid 10 and name HN )) ((resid 20 and name HN )) 5.33 3.53 0.00 ! #SUP 0.75 assign ((resid 10 and name HN )) ((resid 52 and name HD1* )) 5.50 3.70 0.00 ! #SUP 2.25 assign (resid 10 and name HD#) (resid 18 and name HG1#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.241 assign (resid 10 and name HD#) (resid 18 and name HG2#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.242 assign (resid 10 and name HD#) (resid 50 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.237 assign (resid 10 and name HD#) (resid 52 and name HD1#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.250 assign (resid 10 and name HD#) (resid 52 and name HG2#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.247 assign (resid 10 and name HD#) (resid 59 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.248 assign (resid 10 and name HD#) (resid 9 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.195 assign (resid 10 and name HD#) (resid 9 and name HB) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.209 assign (resid 10 and name HD#) (resid 11 and name HN) 3.400 1.6 0.0 ! 2dnoesy_aromHN.2 assign (resid 10 and name HD#) (resid 18 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.0 assign (resid 10 and name HE#) (resid 50 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.233 assign (resid 10 and name HE#) (resid 52 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.249 assign (resid 10 and name HE#) (resid 52 and name HG2#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.244 assign (resid 10 and name HE#) (resid 59 and name HD1#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.245 assign (resid 10 and name HE#) (resid 61 and name HD1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.210 assign (resid 10 and name HE#) (resid 61 and name HD2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.211 assign (resid 10 and name HE#) (resid 9 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.194 assign (resid 10 and name HE#) (resid 11 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.3 assign ((resid 11 and name HA )) ((resid 12 and name HN )) 3.47 1.67 0.00 ! #SUP 4.09 assign ((resid 11 and name HA )) ((resid 17 and name HA )) 4.15 2.35 0.00 ! #SUP 4.62 assign ((resid 11 and name HA )) ((resid 17 and name HG2 )) 3.29 1.49 0.00 ! #SUP 3.58 assign ((resid 11 and name HA )) ((resid 18 and name HN )) 4.78 2.98 0.00 ! #SUP 6.16 assign ((resid 11 and name HB1 )) ((resid 47 and name HD* )) 4.10 2.30 0.00 ! #SUP 2.61 assign ((resid 11 and name HB1 )) ((resid 47 and name HG* )) 4.13 2.33 0.00 ! #SUP 3.38 assign ((resid 11 and name HB2 )) ((resid 47 and name HB1 )) 4.28 2.48 0.00 ! #SUP 3.83 assign ((resid 11 and name HB2 )) ((resid 47 and name HD* )) 3.99 2.19 0.00 ! #SUP 4.60 assign ((resid 11 and name HB2 )) ((resid 47 and name HG* )) 4.02 2.22 0.00 ! #SUP 5.82 assign ((resid 11 and name HN )) ((resid 11 and name HB2 )) 3.54 1.74 0.00 ! #SUP 5.12 assign ((resid 11 and name HN )) ((resid 12 and name HD2* )) 5.34 3.54 0.00 ! #SUP 5.05 assign ((resid 11 and name HN )) ((resid 17 and name HA )) 5.50 3.70 0.00 ! a la main, 3dnnoesy assign ((resid 11 and name HN )) ((resid 18 and name HN )) 5.50 3.70 0.00 ! a la main, 3dnnoesy assign ((resid 11 and name HN )) ((resid 46 and name HG2* )) 5.03 3.23 0.00 ! #SUP 6.36 !assign ((resid 11 and name HN )) ((resid 47 and name HG* )) 5.50 3.70 0.00 ! #SUP 3.43 assign ((resid 11 and name HN )) ((resid 52 and name HD1* )) 5.50 3.70 0.00 ! #SUP 1.53 assign ((resid 12 and name HA )) ((resid 12 and name HD2* )) 3.88 2.08 0.00 ! #SUP 2.81 assign ((resid 12 and name HA )) ((resid 14 and name HN )) 5.19 3.39 0.00 ! #SUP 4.90 !assign ((resid 12 and name HA )) ((resid 47 and name HN )) 4.19 2.39 0.00 ! #SUP 3.72 epaule assign ((resid 12 and name HB1 )) ((resid 13 and name HN )) 4.04 2.24 0.00 ! #SUP 5.65 assign ((resid 12 and name HB1 )) ((resid 14 and name HN )) 3.96 2.16 0.00 ! #SUP 8.96 assign ((resid 12 and name HB1 )) ((resid 15 and name HA2 )) 5.06 3.26 0.00 ! #SUP 2.21 assign ((resid 12 and name HB1 )) ((resid 15 and name HN )) 4.87 3.07 0.00 ! #SUP 5.27 !assign ((resid 12 and name HB2 )) ((resid 12 and name HD1* )) 3.23 1.43 0.00 ! #SUP 4.54 assign ((resid 12 and name HB2 )) ((resid 15 and name HN )) 4.63 2.83 0.00 ! #SUP 4.54 assign ((resid 12 and name HB2 )) ((resid 16 and name HN )) 4.05 2.25 0.00 ! #SUP 7.17 assign ((resid 12 and name HD1* )) ((resid 13 and name HN )) 5.25 3.45 0.00 ! #SUP 5.71 assign ((resid 12 and name HD1* )) ((resid 14 and name HN )) 4.90 3.10 0.00 ! #SUP 5.76 assign ((resid 12 and name HD1* )) ((resid 16 and name HB1 )) 4.58 2.78 0.00 ! #SUP 4.33 assign ((resid 12 and name HD1* )) ((resid 16 and name HB2 )) 4.19 2.39 0.00 ! #SUP 3.77 assign ((resid 12 and name HD1* )) ((resid 16 and name HN )) 4.81 3.01 0.00 ! #SUP 7.91 assign ((resid 12 and name HD1* )) ((resid 44 and name HB2 )) 4.41 2.61 0.00 ! #SUP 2.35 !assign ((resid 12 and name HD1* )) ((resid 44 and name HG* )) 4.43 2.63 0.00 ! #SUP 3.32 assign ((resid 12 and name HD1* )) ((resid 45 and name HN )) 5.50 3.70 0.00 ! #SUP 4.82 assign ((resid 12 and name HD2* )) ((resid 13 and name HN )) 4.57 2.77 0.00 ! #SUP 6.72 assign ((resid 12 and name HD2* )) ((resid 14 and name HN )) 5.16 3.36 0.00 ! #SUP 6.33 assign ((resid 12 and name HD2* )) ((resid 16 and name HN )) 5.50 3.70 0.00 ! #SUP 5.99 assign ((resid 12 and name HD2* )) ((resid 17 and name HA )) 5.33 3.53 0.00 ! #SUP 5.07 assign ((resid 12 and name HD2* )) ((resid 17 and name HN )) 5.50 3.70 0.00 ! #SUP 5.58 !assign ((resid 12 and name HD2* )) ((resid 18 and name HG1* )) 4.20 2.40 0.00 ! #SUP 1.32 assign ((resid 12 and name HD2* )) ((resid 18 and name HN )) 5.37 3.57 0.00 ! #SUP 5.21 assign ((resid 12 and name HD2* )) ((resid 44 and name HB1 )) 5.24 3.44 0.00 ! #SUP 2.36 assign ((resid 12 and name HD2* )) ((resid 46 and name HA )) 4.03 2.23 0.00 ! #SUP 4.98 !assign ((resid 12 and name HD2* )) ((resid 46 and name HG2* )) 3.95 2.15 0.00 ! #SUP 5.79 assign ((resid 12 and name HD2* )) ((resid 47 and name HN )) 5.02 3.22 0.00 ! #SUP 6.96 ! ok, verifie assign ((resid 12 and name HG )) ((resid 13 and name HN )) 5.22 3.42 0.00 ! #SUP 4.65 assign ((resid 12 and name HG )) ((resid 16 and name HN )) 5.44 3.64 0.00 ! #SUP 4.59 assign ((resid 12 and name HG )) ((resid 17 and name HA )) 4.72 2.92 0.00 ! #SUP 2.40 assign ((resid 12 and name HN )) ((resid 12 and name HB2 )) 4.12 2.32 0.00 ! #SUP 4.95 !assign ((resid 12 and name HN )) ((resid 12 and name HD1* )) 4.85 3.05 0.00 ! #SUP 5.56 !assign ((resid 12 and name HN )) ((resid 12 and name HD2* )) 4.62 2.82 0.00 ! #SUP 6.76 !assign ((resid 12 and name HN )) ((resid 12 and name HG )) 3.99 2.19 0.00 ! #SUP 5.27 assign ((resid 12 and name HN )) ((resid 14 and name HN )) 5.50 3.70 0.00 ! #SUP 7.37 assign ((resid 12 and name HN )) ((resid 15 and name HN )) 5.50 3.70 0.00 ! #SUP 5.13 assign ((resid 12 and name HN )) ((resid 16 and name HB2 )) 5.50 3.70 0.00 ! #SUP 4.84 assign ((resid 12 and name HN )) ((resid 16 and name HN )) 5.35 3.55 0.00 ! #SUP 10.00 assign ((resid 12 and name HN )) ((resid 17 and name HA )) 4.36 2.56 0.00 ! #SUP 9.11 assign ((resid 12 and name HN )) ((resid 17 and name HG2 )) 5.02 3.22 0.00 ! #SUP 6.65 !assign ((resid 12 and name HN )) ((resid 18 and name HN )) 4.34 2.54 0.00 ! #SUP 6.39 diagonal !assign ((resid 12 and name HN )) ((resid 46 and name HA )) 5.43 3.63 0.00 ! #SUP 3.12 !assign ((resid 12 and name HN )) ((resid 47 and name HN )) 4.70 2.90 0.00 ! #SUP 6.55 pas de NOE sur 12HN assign (resid 12 and name HD1#) (resid 18 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.143 assign (resid 12 and name HD2#) (resid 12 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.114 assign (resid 12 and name HD2#) (resid 12 and name HG) 7.000 5.2 0.0 ! mhnoesy_final2.115 assign (resid 12 and name HD2#) (resid 18 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.111 assign (resid 12 and name HD2#) (resid 38 and name HE#) 7.000 5.2 0.0 ! mhnoesy_final2.108 assign (resid 12 and name HD2#) (resid 52 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.106 assign (resid 12 and name HD2#) (resid 52 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.113 assign (resid 12 and name HD2#) (resid 52 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.107 !assign ((resid 13 and name HA )) ((resid 13 and name HG1 )) 3.78 1.98 0.00 ! #SUP 4.48 !assign ((resid 13 and name HA )) ((resid 13 and name HG2 )) 3.94 2.14 0.00 ! #SUP 5.12 assign ((resid 13 and name HA )) ((resid 47 and name HA )) 3.15 1.35 0.00 ! #SUP 8.46 assign ((resid 13 and name HA )) ((resid 47 and name HB1 )) 4.68 2.88 0.00 ! #SUP 2.62 assign ((resid 13 and name HA )) ((resid 47 and name HG* )) 3.76 1.96 0.00 ! #SUP 2.62 assign ((resid 13 and name HA )) ((resid 47 and name HN )) 5.00 3.20 0.00 ! #SUP 6.87 assign ((resid 13 and name HB1 )) ((resid 14 and name HN )) 3.96 2.16 0.00 ! #SUP 7.18 assign ((resid 13 and name HB1 )) ((resid 47 and name HA )) 5.07 3.27 0.00 ! #SUP 3.75 !assign ((resid 13 and name HB2 )) ((resid 13 and name HE21 )) 5.50 3.70 0.00 ! #SUP 3.54 assign ((resid 13 and name HB2 )) ((resid 47 and name HA )) 4.81 3.01 0.00 ! #SUP 5.59 assign ((resid 13 and name HB2 )) ((resid 47 and name HN )) 5.50 3.70 0.00 ! #SUP 3.82 assign ((resid 13 and name HG1 )) ((resid 14 and name HN )) 5.05 3.25 0.00 ! #SUP 6.57 assign ((resid 13 and name HG1 )) ((resid 47 and name HA )) 4.24 2.44 0.00 ! #SUP 5.02 assign ((resid 13 and name HG1 )) ((resid 47 and name HB2 )) 4.35 2.55 0.00 ! #SUP 0.75 assign ((resid 13 and name HG2 )) ((resid 14 and name HN )) 4.87 3.07 0.00 ! #SUP 7.13 assign ((resid 13 and name HG2 )) ((resid 47 and name HA )) 4.51 2.71 0.00 ! #SUP 3.24 assign ((resid 13 and name HN )) ((resid 13 and name HB1 )) 3.67 1.87 0.00 ! #SUP 5.16 assign ((resid 13 and name HN )) ((resid 14 and name HN )) 3.84 2.04 0.00 ! #SUP 8.04 !assign ((resid 13 and name HN )) ((resid 45 and name HN )) 5.50 3.70 0.00 ! #SUP 2.40 diagonal assign ((resid 13 and name HN )) ((resid 46 and name HA )) 4.06 2.26 0.00 ! #SUP 3.89 assign ((resid 13 and name HN )) ((resid 46 and name HG2* )) 5.50 3.70 0.00 ! #SUP 3.83 assign ((resid 13 and name HN )) ((resid 47 and name HA )) 5.21 3.41 0.00 ! #SUP 5.28 assign ((resid 13 and name HN )) ((resid 47 and name HN )) 4.91 3.11 0.00 ! #SUP 7.25 assign ((resid 14 and name HA )) ((resid 14 and name HB2 )) 3.03 1.23 0.00 ! #SUP 3.00 assign ((resid 14 and name HB1 )) ((resid 15 and name HN )) 4.84 3.04 0.00 ! #SUP 3.89 assign ((resid 14 and name HB2 )) ((resid 15 and name HN )) 5.01 3.21 0.00 ! #SUP 3.89 assign ((resid 14 and name HN )) ((resid 14 and name HB1 )) 3.57 1.77 0.00 ! #SUP 5.21 assign ((resid 14 and name HN )) ((resid 14 and name HB2 )) 3.65 1.85 0.00 ! #SUP 5.21 assign ((resid 14 and name HN )) ((resid 15 and name HA1 )) 4.48 2.68 0.00 ! #SUP 3.82 assign ((resid 14 and name HN )) ((resid 15 and name HA2 )) 4.83 3.03 0.00 ! #SUP 3.82 !assign ((resid 14 and name HN )) ((resid 15 and name HN )) 3.53 1.73 0.00 ! #SUP 6.90 diagonal !assign ((resid 14 and name HN )) ((resid 16 and name HN )) 3.80 2.00 0.00 ! #SUP 3.00 diagonal assign ((resid 15 and name HA1 )) ((resid 31 and name HB1 )) 4.15 2.35 0.00 ! #SUP 4.30 assign ((resid 15 and name HA1 )) ((resid 31 and name HB2 )) 4.36 2.56 0.00 ! #SUP 3.30 assign ((resid 15 and name HA2 )) ((resid 31 and name HA )) 2.90 1.10 0.00 ! #SUP 2.58 assign ((resid 15 and name HA2 )) ((resid 31 and name HB1 )) 4.21 2.41 0.00 ! #SUP 6.17 assign ((resid 15 and name HA2 )) ((resid 31 and name HB2 )) 4.43 2.63 0.00 ! #SUP 5.08 assign ((resid 15 and name HA2 )) ((resid 31 and name HN )) 5.50 3.70 0.00 ! #SUP 2.97 assign ((resid 15 and name HN )) ((resid 16 and name HN )) 3.61 1.81 0.00 ! #SUP 3.96 assign ((resid 16 and name HA )) ((resid 17 and name HN )) 3.29 1.49 0.00 ! #SUP 5.74 assign ((resid 16 and name HB1 )) ((resid 17 and name HN )) 3.68 1.88 0.00 ! #SUP 4.99 assign ((resid 16 and name HB1 )) ((resid 29 and name HN )) 5.33 3.53 0.00 ! #SUP 3.67 assign ((resid 16 and name HB2 )) ((resid 17 and name HN )) 3.83 2.03 0.00 ! #SUP 4.99 assign ((resid 16 and name HB2 )) ((resid 29 and name HN )) 5.36 3.56 0.00 ! #SUP 3.13 assign ((resid 16 and name HN )) ((resid 16 and name HB1 )) 3.92 2.12 0.00 ! #SUP 4.29 assign ((resid 16 and name HN )) ((resid 16 and name HB2 )) 3.93 2.13 0.00 ! #SUP 4.09 assign ((resid 16 and name HN )) ((resid 17 and name HN )) 4.60 2.80 0.00 ! #SUP 5.35 !assign ((resid 17 and name HA )) ((resid 17 and name HD* )) 4.31 2.51 0.00 ! #SUP 6.95 assign ((resid 17 and name HA )) ((resid 18 and name HN )) 3.33 1.53 0.00 ! #SUP 6.39 !assign ((resid 17 and name HB1 )) ((resid 17 and name HD* )) 3.61 1.81 0.00 ! #SUP 6.75 assign ((resid 17 and name HB1 )) ((resid 18 and name HN )) 4.28 2.48 0.00 ! #SUP 5.91 assign ((resid 17 and name HB1 )) ((resid 29 and name HN )) 5.50 3.70 0.00 ! #SUP 2.06 !assign ((resid 17 and name HB2 )) ((resid 17 and name HD* )) 3.05 1.25 0.00 ! #SUP 6.86 assign ((resid 17 and name HB2 )) ((resid 29 and name HG* )) 4.99 3.19 0.00 ! #SUP 3.65 !assign ((resid 17 and name HG2 )) ((resid 17 and name HD* )) 3.05 1.25 0.00 ! #SUP 7.44 assign ((resid 17 and name HG2 )) ((resid 18 and name HN )) 5.39 3.59 0.00 ! #SUP 6.07 !assign ((resid 17 and name HN )) ((resid 17 and name HD* )) 5.13 3.33 0.00 ! #SUP 8.26 !assign ((resid 17 and name HN )) ((resid 17 and name HG2 )) 4.89 3.09 0.00 ! #SUP 8.66 assign ((resid 17 and name HN )) ((resid 28 and name HA )) 4.98 3.18 0.00 ! #SUP 3.70 assign ((resid 17 and name HN )) ((resid 29 and name HG* )) 4.97 3.17 0.00 ! #SUP 3.73 !assign ((resid 18 and name HA )) ((resid 18 and name HG1* )) 3.55 1.75 0.00 ! #SUP 3.31 !assign ((resid 18 and name HA )) ((resid 18 and name HG2* )) 3.50 1.70 0.00 ! #SUP 3.91 assign ((resid 18 and name HA )) ((resid 19 and name HN )) 3.32 1.52 0.00 ! #SUP 4.04 assign ((resid 18 and name HA )) ((resid 27 and name HN )) 4.70 2.90 0.00 ! #SUP 4.06 assign ((resid 18 and name HA )) ((resid 28 and name HA )) 3.51 1.71 0.00 ! #SUP 7.08 assign ((resid 18 and name HA )) ((resid 28 and name HN )) 4.78 2.98 0.00 ! #SUP 4.17 assign ((resid 18 and name HB )) ((resid 52 and name HD1* )) 5.21 3.41 0.00 ! #SUP 2.46 assign ((resid 18 and name HG1* )) ((resid 28 and name HA )) 4.21 2.41 0.00 ! #SUP 6.10 assign ((resid 18 and name HG1* )) ((resid 29 and name HN )) 5.20 3.40 0.00 ! #SUP 4.19 !assign ((resid 18 and name HG1* )) ((resid 52 and name HD1* )) 4.79 2.99 0.00 ! #SUP 1.50 assign ((resid 18 and name HG2* )) ((resid 19 and name HA )) 4.89 3.09 0.00 ! #SUP 5.67 assign ((resid 18 and name HG2* )) ((resid 19 and name HN )) 3.91 2.11 0.00 ! #SUP 5.91 assign ((resid 18 and name HG2* )) ((resid 27 and name HN )) 4.78 2.98 0.00 ! #SUP 4.53 assign ((resid 18 and name HG2* )) ((resid 28 and name HN )) 5.50 3.70 0.00 ! #SUP 3.28 assign ((resid 18 and name HN )) ((resid 18 and name HB )) 3.71 1.91 0.00 ! #SUP 6.06 !assign ((resid 18 and name HN )) ((resid 18 and name HG1* )) 4.24 2.44 0.00 ! #SUP 4.42 assign ((resid 18 and name HN )) ((resid 19 and name HN )) 5.24 3.44 0.00 ! #SUP 3.56 assign ((resid 18 and name HN )) ((resid 52 and name HD1* )) 5.50 3.70 0.00 ! #SUP 1.50 assign (resid 18 and name HG1#) (resid 12 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.92 assign (resid 18 and name HG1#) (resid 12 and name HG) 7.000 5.2 0.0 ! mhnoesy_final2.93 assign (resid 18 and name HG1#) (resid 18 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.91 assign (resid 18 and name HG1#) (resid 44 and name HE#) 5.500 3.7 0.0 ! mhnoesy_final2.90 assign (resid 18 and name HG1#) (resid 59 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.89 assign (resid 18 and name HG2#) (resid 12 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.80 assign (resid 18 and name HG2#) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.76 !assign (resid 19 and name HD2) (resid 19 and name HA) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.253 !assign (resid 19 and name HD2) (resid 19 and name HB1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.263 !assign (resid 19 and name HD2) (resid 19 and name HB2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.264 !assign (resid 19 and name HE1) (resid 19 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.1 !assign (resid 19 and name HE1) (resid 19 and name HB1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.7 !assign (resid 19 and name HE1) (resid 19 and name HD2) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.0 assign ((resid 19 and name HB1 )) ((resid 20 and name HN )) 4.20 2.40 0.00 ! #SUP 4.07 assign ((resid 19 and name HB1 )) ((resid 27 and name HN )) 4.77 2.97 0.00 ! #SUP 2.31 assign ((resid 19 and name HB2 )) ((resid 20 and name HN )) 4.37 2.57 0.00 ! #SUP 4.18 assign ((resid 19 and name HN )) ((resid 19 and name HB1 )) 4.17 2.37 0.00 ! #SUP 4.44 assign ((resid 19 and name HN )) ((resid 19 and name HB2 )) 3.82 2.02 0.00 ! #SUP 4.64 assign ((resid 19 and name HN )) ((resid 20 and name HA )) 5.18 3.38 0.00 ! #SUP 4.02 assign ((resid 19 and name HN )) ((resid 20 and name HN )) 5.16 3.36 0.00 ! #SUP 6.52 assign ((resid 19 and name HN )) ((resid 21 and name HD* )) 5.34 3.54 0.00 ! #SUP 2.00 assign ((resid 19 and name HN )) ((resid 27 and name HA1 )) 5.50 3.70 0.00 ! #SUP 2.38 assign ((resid 19 and name HN )) ((resid 27 and name HN )) 3.85 2.05 0.00 ! #SUP 8.19 assign (resid 19 and name HD2) (resid 17 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.271 assign (resid 19 and name HD2) (resid 17 and name HD#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.269 assign (resid 19 and name HD2) (resid 18 and name HG1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.273 assign (resid 19 and name HD2) (resid 18 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.274 assign (resid 19 and name HD2) (resid 27 and name HA1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.256 assign (resid 19 and name HD2) (resid 28 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.252 assign (resid 19 and name HD2) (resid 29 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.254 assign (resid 19 and name HD2) (resid 29 and name HG#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.265 assign (resid 19 and name HD2) (resid 6 and name HG1#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.277 assign (resid 19 and name HD2) (resid 6 and name HG2#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.275 assign (resid 19 and name HD2) (resid 9 and name HB) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.262 assign (resid 19 and name HE1) (resid 1 and name HG##) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.18 assign (resid 19 and name HE1) (resid 17 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.2 assign (resid 19 and name HE1) (resid 17 and name HB2) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.15 assign (resid 19 and name HE1) (resid 29 and name HG#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.8 assign (resid 19 and name HE1) (resid 6 and name HG1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.19 assign (resid 19 and name HE1) (resid 6 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.17 !assign (resid 20 and name HG1#) (resid 1 and name HG##) 6.000 4.2 0.0 ! mhnoesy_final2.82 !assign ((resid 20 and name HA )) ((resid 20 and name HG1* )) 3.24 1.44 0.00 ! #SUP 4.84 !assign ((resid 20 and name HA )) ((resid 20 and name HG2* )) 3.30 1.50 0.00 ! #SUP 4.68 assign ((resid 20 and name HA )) ((resid 21 and name HB1 )) 4.49 2.69 0.00 ! #SUP 4.87 assign ((resid 20 and name HA )) ((resid 21 and name HD* )) 4.77 2.97 0.00 ! #SUP 5.71 assign ((resid 20 and name HA )) ((resid 21 and name HN )) 3.21 1.41 0.00 ! #SUP 5.72 assign ((resid 20 and name HA )) ((resid 26 and name HA )) 3.42 1.62 0.00 ! #SUP 7.31 assign ((resid 20 and name HA )) ((resid 27 and name HN )) 4.35 2.55 0.00 ! #SUP 7.07 assign ((resid 20 and name HG1* )) ((resid 21 and name HB1 )) 5.50 3.70 0.00 ! #SUP 3.23 assign ((resid 20 and name HG1* )) ((resid 21 and name HN )) 3.76 1.96 0.00 ! #SUP 4.08 assign ((resid 20 and name HG1* )) ((resid 24 and name HA1 )) 4.48 2.68 0.00 ! #SUP 2.24 assign ((resid 20 and name HG1* )) ((resid 24 and name HA2 )) 4.82 3.02 0.00 ! #SUP 2.24 assign ((resid 20 and name HG1* )) ((resid 24 and name HN )) 4.74 2.94 0.00 ! #SUP 5.28 assign ((resid 20 and name HG1* )) ((resid 25 and name HN )) 5.50 3.70 0.00 ! #SUP 6.99 assign ((resid 20 and name HG2* )) ((resid 26 and name HB1 )) 5.46 3.66 0.00 ! #SUP 6.04 !assign ((resid 20 and name HG2* )) ((resid 59 and name HD1* )) 3.96 2.16 0.00 ! #SUP 0.88 assign ((resid 20 and name HN )) ((resid 20 and name HB )) 3.67 1.87 0.00 ! #SUP 6.02 !assign ((resid 20 and name HN )) ((resid 20 and name HG2* )) 3.84 2.04 0.00 ! #SUP 4.93 assign ((resid 20 and name HN )) ((resid 21 and name HA )) 5.50 3.70 0.00 ! #SUP 4.24 assign ((resid 20 and name HN )) ((resid 21 and name HD* )) 5.50 3.70 0.00 ! #SUP 4.93 assign ((resid 20 and name HN )) ((resid 21 and name HN )) 5.41 3.61 0.00 ! #SUP 4.95 assign (resid 20 and name HG1#) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.138 assign (resid 20 and name HG1#) (resid 59 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.81 assign (resid 20 and name HG1#) (resid 66 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.84 assign (resid 20 and name HG1#) (resid 66 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.83 assign (resid 20 and name HG2#) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.71 assign (resid 20 and name HG2#) (resid 59 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.75 assign (resid 20 and name HG2#) (resid 59 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.72 assign (resid 20 and name HG2#) (resid 66 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.73 !assign (resid 21 and name HD#) (resid 21 and name HA) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.147 !assign (resid 21 and name HD#) (resid 21 and name HB1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.164 !assign (resid 21 and name HD#) (resid 21 and name HB2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.167 !assign (resid 21 and name HD#) (resid 22 and name HN) 3.400 1.6 0.0 ! 2dnoesy_aromHN.18 !assign (resid 21 and name HD#) (resid 23 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.16 !assign (resid 21 and name HD1) (resid 21 and name HN) 2.800 1.0 0.0 ! 2dnoesy_aromHN.20 !assign (resid 21 and name HE#) (resid 21 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.146 !assign (resid 21 and name HE#) (resid 21 and name HB1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.165 !assign (resid 21 and name HE#) (resid 21 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.169 !assign (resid 21 and name HE#) (resid 21 and name HD#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.24 !assign (resid 21 and name HE1) (resid 21 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.21 !assign ((resid 21 and name HA )) ((resid 21 and name HD* )) 3.84 2.04 0.00 ! #SUP 6.42 assign ((resid 21 and name HA )) ((resid 22 and name HA )) 4.37 2.57 0.00 ! #SUP 5.99 assign ((resid 21 and name HA )) ((resid 22 and name HG* )) 4.80 3.00 0.00 ! #SUP 6.25 assign ((resid 21 and name HA )) ((resid 22 and name HN )) 3.49 1.69 0.00 ! #SUP 8.30 assign ((resid 21 and name HA )) ((resid 23 and name HN )) 4.41 2.61 0.00 ! #SUP 7.72 assign ((resid 21 and name HB1 )) ((resid 23 and name HN )) 3.84 2.04 0.00 ! #SUP 6.64 assign ((resid 21 and name HB1 )) ((resid 24 and name HN )) 4.64 2.84 0.00 ! #SUP 7.72 assign ((resid 21 and name HB1 )) ((resid 25 and name HB1 )) 4.82 3.02 0.00 ! #SUP 6.96 assign ((resid 21 and name HB1 )) ((resid 25 and name HB2 )) 4.65 2.85 0.00 ! #SUP 5.56 assign ((resid 21 and name HB1 )) ((resid 25 and name HE* )) 4.27 2.47 0.00 ! #SUP 1.70 assign ((resid 21 and name HB1 )) ((resid 25 and name HN )) 4.27 2.47 0.00 ! #SUP 8.94 assign ((resid 21 and name HB1 )) ((resid 26 and name HN )) 5.01 3.21 0.00 ! #SUP 4.54 assign ((resid 21 and name HB2 )) ((resid 22 and name HN )) 3.80 2.00 0.00 ! #SUP 6.99 assign ((resid 21 and name HB2 )) ((resid 23 and name HN )) 3.78 1.98 0.00 ! #SUP 7.48 assign ((resid 21 and name HB2 )) ((resid 24 and name HN )) 4.95 3.15 0.00 ! #SUP 7.01 assign ((resid 21 and name HB2 )) ((resid 25 and name HB2 )) 5.16 3.36 0.00 ! #SUP 4.85 assign ((resid 21 and name HB2 )) ((resid 25 and name HN )) 4.49 2.69 0.00 ! #SUP 6.18 !assign ((resid 21 and name HD* )) ((resid 22 and name HN )) 4.43 2.63 0.00 ! #SUP 6.02 !assign ((resid 21 and name HD* )) ((resid 23 and name HN )) 4.80 3.00 0.00 ! #SUP 5.27 !assign ((resid 21 and name HD* )) ((resid 25 and name HB2 )) 4.08 2.28 0.00 ! #SUP 4.57 !assign ((resid 21 and name HD* )) ((resid 25 and name HN )) 4.60 2.80 0.00 ! #SUP 6.58 !assign ((resid 21 and name HD* )) ((resid 26 and name HA )) 3.72 1.92 0.00 ! #SUP 6.24 !assign ((resid 21 and name HD* )) ((resid 26 and name HB2 )) 4.94 3.14 0.00 ! #SUP 0.02 !assign ((resid 21 and name HD* )) ((resid 26 and name HN )) 4.42 2.62 0.00 ! #SUP 5.78 !assign ((resid 21 and name HD* )) ((resid 27 and name HA1 )) 4.26 2.46 0.00 ! #SUP 1.69 !assign ((resid 21 and name HD* )) ((resid 27 and name HN )) 4.01 2.21 0.00 ! #SUP 5.40 !assign ((resid 21 and name HE* )) ((resid 27 and name HN )) 5.16 3.36 0.00 ! #SUP 1.29 assign ((resid 21 and name HN )) ((resid 21 and name HB1 )) 3.74 1.94 0.00 ! #SUP 6.32 assign ((resid 21 and name HN )) ((resid 21 and name HB2 )) 3.92 2.12 0.00 ! #SUP 5.65 !assign ((resid 21 and name HN )) ((resid 21 and name HD* )) 3.75 1.95 0.00 ! #SUP 6.49 assign ((resid 21 and name HN )) ((resid 22 and name HN )) 4.69 2.89 0.00 ! #SUP 6.04 assign ((resid 21 and name HN )) ((resid 23 and name HN )) 4.87 3.07 0.00 ! #SUP 6.62 assign ((resid 21 and name HN )) ((resid 24 and name HN )) 5.14 3.34 0.00 ! #SUP 7.48 assign ((resid 21 and name HN )) ((resid 25 and name HA )) 5.15 3.35 0.00 ! #SUP 2.73 assign ((resid 21 and name HN )) ((resid 25 and name HN )) 4.85 3.05 0.00 ! #SUP 7.32 assign ((resid 21 and name HN )) ((resid 26 and name HA )) 3.98 2.18 0.00 ! #SUP 5.19 assign (resid 21 and name HD#) (resid 1 and name HG##) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.187 assign (resid 21 and name HD#) (resid 19 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.149 assign (resid 21 and name HD#) (resid 19 and name HB1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.173 assign (resid 21 and name HD#) (resid 19 and name HB2) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.175 assign (resid 21 and name HD#) (resid 19 and name HD2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.21 assign (resid 21 and name HD#) (resid 20 and name HG1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.183 assign (resid 21 and name HD#) (resid 25 and name HN) 4.400 2.6 0.0 ! 2dnoesy_aromHN.14 assign (resid 21 and name HD#) (resid 26 and name HA) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.145 assign (resid 21 and name HD#) (resid 26 and name HN) 3.400 1.6 0.0 ! 2dnoesy_aromHN.17 assign (resid 21 and name HD#) (resid 27 and name HA1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.151 assign (resid 21 and name HD#) (resid 27 and name HA2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.157 assign (resid 21 and name HD#) (resid 27 and name HN) 3.400 1.6 0.0 ! 2dnoesy_aromHN.19 assign (resid 21 and name HD#) (resid 5 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.150 assign (resid 21 and name HD#) (resid 5 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.15 assign (resid 21 and name HD#) (resid 6 and name HG1#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.190 assign (resid 21 and name HD#) (resid 7 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.22 assign (resid 21 and name HE#) (resid 1 and name HG##) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.189 assign (resid 21 and name HE#) (resid 19 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.148 assign (resid 21 and name HE#) (resid 19 and name HB1) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.174 assign (resid 21 and name HE#) (resid 19 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.176 assign (resid 21 and name HE#) (resid 19 and name HD2) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.22 assign (resid 21 and name HE#) (resid 26 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.144 assign (resid 21 and name HE#) (resid 27 and name HA1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.152 assign (resid 21 and name HE#) (resid 27 and name HA2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.160 assign (resid 21 and name HE#) (resid 6 and name HG1#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.191 !assign ((resid 22 and name HA )) ((resid 22 and name HB* )) 2.83 1.03 0.00 ! #SUP 4.42 !assign ((resid 22 and name HA )) ((resid 22 and name HG* )) 3.33 1.53 0.00 ! #SUP 5.05 !assign ((resid 22 and name HB* )) ((resid 22 and name HG* )) 2.96 1.16 0.00 ! #SUP 5.45 assign ((resid 22 and name HB* )) ((resid 23 and name HN )) 4.03 2.23 0.00 ! #SUP 7.15 !assign ((resid 22 and name HD* )) ((resid 22 and name HE* )) 2.81 1.01 0.00 ! #SUP 1.31 assign ((resid 22 and name HG* )) ((resid 23 and name HN )) 4.45 2.65 0.00 ! #SUP 7.51 assign ((resid 22 and name HN )) ((resid 22 and name HB* )) 3.40 1.60 0.00 ! #SUP 6.30 !assign ((resid 22 and name HN )) ((resid 22 and name HD* )) 4.80 3.00 0.00 ! #SUP 4.49 !assign ((resid 22 and name HN )) ((resid 22 and name HG* )) 3.88 2.08 0.00 ! #SUP 6.53 assign ((resid 22 and name HN )) ((resid 23 and name HN )) 3.73 1.93 0.00 ! #SUP 9.77 assign ((resid 22 and name HN )) ((resid 24 and name HN )) 5.30 3.50 0.00 ! #SUP 5.13 !assign ((resid 23 and name HA )) ((resid 23 and name HB1 )) 2.99 1.19 0.00 ! #SUP 3.00 !assign ((resid 23 and name HA )) ((resid 23 and name HB2 )) 2.92 1.12 0.00 ! #SUP 3.00 assign ((resid 23 and name HA )) ((resid 25 and name HN )) 5.17 3.37 0.00 ! #SUP 2.49 assign ((resid 23 and name HB1 )) ((resid 24 and name HN )) 4.87 3.07 0.00 ! #SUP 4.22 assign ((resid 23 and name HB2 )) ((resid 24 and name HN )) 5.22 3.42 0.00 ! #SUP 4.22 assign ((resid 23 and name HN )) ((resid 23 and name HB1 )) 3.67 1.87 0.00 ! #SUP 4.92 assign ((resid 23 and name HN )) ((resid 23 and name HB2 )) 3.80 2.00 0.00 ! #SUP 4.92 assign ((resid 23 and name HN )) ((resid 24 and name HA1 )) 4.44 2.64 0.00 ! #SUP 4.10 assign ((resid 23 and name HN )) ((resid 24 and name HA2 )) 4.58 2.78 0.00 ! #SUP 4.10 !assign ((resid 23 and name HN )) ((resid 24 and name HN )) 3.33 1.53 0.00 ! #SUP 9.01 diagonal assign ((resid 23 and name HN )) ((resid 25 and name HB2 )) 5.50 3.70 0.00 ! #SUP 2.49 assign ((resid 23 and name HN )) ((resid 25 and name HN )) 4.51 2.71 0.00 ! #SUP 5.00 assign ((resid 24 and name HN )) ((resid 25 and name HA )) 5.13 3.33 0.00 ! #SUP 4.26 assign ((resid 24 and name HN )) ((resid 25 and name HB2 )) 5.06 3.26 0.00 ! #SUP 4.65 assign ((resid 24 and name HN )) ((resid 25 and name HN )) 3.65 1.85 0.00 ! #SUP 7.36 !assign ((resid 25 and name HA )) ((resid 25 and name HD* )) 3.70 1.90 0.00 ! #SUP 6.05 !assign ((resid 25 and name HA )) ((resid 25 and name HG1 )) 3.40 1.60 0.00 ! #SUP 6.61 !assign ((resid 25 and name HA )) ((resid 25 and name HG2 )) 3.68 1.88 0.00 ! #SUP 6.56 assign ((resid 25 and name HA )) ((resid 26 and name HN )) 2.87 1.07 0.00 ! #SUP 5.39 !assign ((resid 25 and name HB2 )) ((resid 25 and name HD* )) 3.54 1.74 0.00 ! #SUP 4.76 !assign ((resid 25 and name HD* )) ((resid 25 and name HE* )) 2.75 0.95 0.00 ! #SUP 3.62 !assign ((resid 25 and name HG1 )) ((resid 25 and name HD* )) 2.89 1.09 0.00 ! #SUP 6.31 assign ((resid 25 and name HG1 )) ((resid 26 and name HN )) 4.17 2.37 0.00 ! #SUP 5.80 !assign ((resid 25 and name HG2 )) ((resid 25 and name HD* )) 2.92 1.12 0.00 ! #SUP 5.31 assign ((resid 25 and name HG2 )) ((resid 26 and name HN )) 4.36 2.56 0.00 ! #SUP 5.75 !assign ((resid 25 and name HN )) ((resid 25 and name HB1 )) 3.65 1.85 0.00 ! #SUP 7.03 !assign ((resid 25 and name HN )) ((resid 25 and name HB2 )) 3.52 1.72 0.00 ! #SUP 7.30 !assign ((resid 25 and name HN )) ((resid 25 and name HD* )) 4.73 2.93 0.00 ! #SUP 7.42 !assign ((resid 25 and name HN )) ((resid 25 and name HE* )) 5.50 3.70 0.00 ! #SUP 5.33 !assign ((resid 25 and name HN )) ((resid 25 and name HG1 )) 4.09 2.29 0.00 ! #SUP 8.01 !assign ((resid 25 and name HN )) ((resid 25 and name HG2 )) 3.83 2.03 0.00 ! #SUP 7.93 assign ((resid 25 and name HN )) ((resid 26 and name HN )) 4.53 2.73 0.00 ! #SUP 5.68 !assign ((resid 26 and name HA )) ((resid 26 and name HG1 )) 3.91 2.11 0.00 ! #SUP 4.99 !assign ((resid 26 and name HA )) ((resid 26 and name HG2 )) 3.99 2.19 0.00 ! #SUP 4.18 assign ((resid 26 and name HA )) ((resid 27 and name HN )) 3.20 1.40 0.00 ! #SUP 4.94 !assign ((resid 26 and name HB1 )) ((resid 26 and name HE# )) 2.40 0.60 0.00 ! #SUP 3.17 assign ((resid 26 and name HE# )) ((resid 59 and name HB )) 2.66 0.86 0.00 ! #SUP 1.50 assign ((resid 26 and name HE# )) ((resid 59 and name HG12 )) 4.64 2.84 0.00 ! #SUP 2.35 assign ((resid 26 and name HN )) ((resid 27 and name HN )) 4.65 2.85 0.00 ! #SUP 3.86 assign (resid 26 and name HE# ) (resid 20 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.49 assign (resid 26 and name HE# ) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.47 assign (resid 26 and name HE# ) (resid 59 and name HG1#) 4.500 2.7 0.0 ! mhnoesy_final2.50 assign ((resid 27 and name HA1 )) ((resid 28 and name HN )) 3.47 1.67 0.00 ! #SUP 3.13 assign ((resid 27 and name HA2 )) ((resid 28 and name HN )) 3.33 1.53 0.00 ! #SUP 3.18 !assign ((resid 28 and name HA )) ((resid 28 and name HG2 )) 4.13 2.33 0.00 ! #SUP 4.91 assign ((resid 28 and name HA )) ((resid 29 and name HA )) 5.03 3.23 0.00 ! #SUP 3.99 assign ((resid 28 and name HA )) ((resid 29 and name HN )) 3.30 1.50 0.00 ! #SUP 5.24 assign ((resid 28 and name HN )) ((resid 28 and name HB1 )) 3.87 2.07 0.00 ! #SUP 4.41 assign ((resid 28 and name HN )) ((resid 28 and name HB2 )) 3.62 1.82 0.00 ! #SUP 4.78 assign (resid 28 and name HE# ) (resid 12 and name HD1#) 5.500 3.7 0.0 ! mhnoesy_final2.54 assign (resid 28 and name HE# ) (resid 12 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.53 assign (resid 28 and name HE# ) (resid 18 and name HG1#) 5.500 3.7 0.0 ! mhnoesy_final2.52 assign (resid 28 and name HE# ) (resid 18 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.51 !assign ((resid 29 and name HA )) ((resid 29 and name HG* )) 3.93 2.13 0.00 ! #SUP 4.31 assign ((resid 29 and name HA )) ((resid 30 and name HN )) 3.05 1.25 0.00 ! #SUP 4.58 assign ((resid 29 and name HA )) ((resid 34 and name HN )) 4.41 2.61 0.00 ! #SUP 4.20 assign ((resid 29 and name HA )) ((resid 35 and name HA )) 3.84 2.04 0.00 ! #SUP 3.34 assign ((resid 29 and name HA )) ((resid 35 and name HB* )) 4.23 2.43 0.00 ! #SUP 2.57 assign ((resid 29 and name HA )) ((resid 36 and name HG* )) 4.04 2.24 0.00 ! #SUP 2.94 assign ((resid 29 and name HA )) ((resid 36 and name HN )) 3.73 1.93 0.00 ! #SUP 4.61 assign ((resid 29 and name HB1 )) ((resid 33 and name HA2 )) 4.84 3.04 0.00 ! #SUP 0.75 assign ((resid 29 and name HG* )) ((resid 30 and name HN )) 4.46 2.66 0.00 ! #SUP 4.61 assign ((resid 29 and name HG* )) ((resid 33 and name HN )) 5.04 3.24 0.00 ! #SUP 3.12 assign ((resid 29 and name HG* )) ((resid 34 and name HN )) 5.16 3.36 0.00 ! #SUP 5.57 assign ((resid 29 and name HG* )) ((resid 35 and name HN )) 5.50 3.70 0.00 ! #SUP 1.50 assign ((resid 29 and name HG* )) ((resid 36 and name HN )) 4.98 3.18 0.00 ! #SUP 3.23 assign ((resid 29 and name HN )) ((resid 29 and name HB1 )) 3.92 2.12 0.00 ! #SUP 4.49 assign ((resid 29 and name HN )) ((resid 29 and name HG* )) 4.16 2.36 0.00 ! #SUP 5.65 !assign ((resid 29 and name HN )) ((resid 30 and name HN )) 5.50 3.70 0.00 ! #SUP 4.59 diagonal !assign ((resid 30 and name HA )) ((resid 30 and name HD2* )) 5.50 3.70 0.00 ! #SUP 4.22 assign ((resid 30 and name HA )) ((resid 31 and name HN )) 3.57 1.77 0.00 ! #SUP 6.08 assign ((resid 30 and name HB1 )) ((resid 31 and name HN )) 3.72 1.92 0.00 ! #SUP 7.64 assign ((resid 30 and name HB1 )) ((resid 32 and name HE* )) 4.70 2.90 0.00 ! #SUP 1.23 assign ((resid 30 and name HB1 )) ((resid 32 and name HN )) 4.71 2.91 0.00 ! #SUP 5.99 assign ((resid 30 and name HB1 )) ((resid 34 and name HN )) 5.22 3.42 0.00 ! #SUP 3.77 assign ((resid 30 and name HB1 )) ((resid 36 and name HG* )) 5.35 3.55 0.00 ! #SUP 2.85 assign ((resid 30 and name HB2 )) ((resid 31 and name HN )) 3.96 2.16 0.00 ! #SUP 7.51 assign ((resid 30 and name HD2* )) ((resid 31 and name HN )) 5.50 3.70 0.00 ! #SUP 9.31 assign ((resid 30 and name HD2* )) ((resid 32 and name HB1 )) 5.50 3.70 0.00 ! #SUP 3.66 assign ((resid 30 and name HD2* )) ((resid 32 and name HD* )) 5.50 3.70 0.00 ! #SUP 3.66 assign ((resid 30 and name HD2* )) ((resid 32 and name HN )) 3.65 1.85 0.00 ! #SUP 8.91 assign ((resid 30 and name HD2* )) ((resid 33 and name HN )) 4.35 2.55 0.00 ! #SUP 8.59 assign ((resid 30 and name HD2* )) ((resid 34 and name HB1 )) 4.98 3.18 0.00 ! #SUP 3.20 assign ((resid 30 and name HD2* )) ((resid 34 and name HB2 )) 5.14 3.34 0.00 ! #SUP 4.15 assign ((resid 30 and name HD2* )) ((resid 34 and name HG2 )) 5.50 3.70 0.00 ! #SUP 5.03 assign ((resid 30 and name HD2* )) ((resid 34 and name HN )) 5.30 3.50 0.00 ! #SUP 9.80 assign ((resid 30 and name HN )) ((resid 30 and name HB1 )) 3.88 2.08 0.00 ! #SUP 5.40 assign ((resid 30 and name HN )) ((resid 30 and name HB2 )) 4.05 2.25 0.00 ! #SUP 5.54 !assign ((resid 30 and name HN )) ((resid 30 and name HD2* )) 5.28 3.48 0.00 ! #SUP 5.40 assign ((resid 30 and name HN )) ((resid 31 and name HN )) 5.15 3.35 0.00 ! #SUP 7.66 assign ((resid 30 and name HN )) ((resid 32 and name HN )) 4.62 2.82 0.00 ! #SUP 7.24 assign ((resid 30 and name HN )) ((resid 33 and name HN )) 4.90 3.10 0.00 ! #SUP 8.02 assign ((resid 30 and name HN )) ((resid 34 and name HG2 )) 5.50 3.70 0.00 ! #SUP 3.91 assign ((resid 30 and name HN )) ((resid 34 and name HN )) 3.70 1.90 0.00 ! #SUP 10.00 assign ((resid 30 and name HN )) ((resid 36 and name HG* )) 4.21 2.41 0.00 ! #SUP 4.58 !assign ((resid 31 and name HA )) ((resid 31 and name HB2 )) 3.01 1.21 0.00 ! #SUP 6.10 !assign ((resid 31 and name HB1 )) ((resid 31 and name HE* )) 4.62 2.82 0.00 ! #SUP 8.49 assign ((resid 31 and name HB1 )) ((resid 32 and name HE* )) 5.32 3.52 0.00 ! #SUP 4.33 assign ((resid 31 and name HB1 )) ((resid 32 and name HN )) 4.63 2.83 0.00 ! #SUP 10.00 !assign ((resid 31 and name HB2 )) ((resid 31 and name HE* )) 5.24 3.44 0.00 ! #SUP 7.86 assign ((resid 31 and name HB2 )) ((resid 32 and name HN )) 5.33 3.53 0.00 ! #SUP 9.93 assign ((resid 31 and name HE* )) ((resid 32 and name HN )) 5.43 3.63 0.00 ! #SUP 9.74 !assign ((resid 31 and name HG1 )) ((resid 31 and name HE* )) 4.18 2.38 0.00 ! #SUP 7.74 assign ((resid 31 and name HG1 )) ((resid 32 and name HN )) 4.38 2.58 0.00 ! #SUP 9.93 !assign ((resid 31 and name HG2 )) ((resid 31 and name HE* )) 3.54 1.74 0.00 ! #SUP 7.87 assign ((resid 31 and name HG2 )) ((resid 32 and name HN )) 4.25 2.45 0.00 ! #SUP 10.00 assign ((resid 31 and name HN )) ((resid 31 and name HB1 )) 3.67 1.87 0.00 ! #SUP 10.00 assign ((resid 31 and name HN )) ((resid 31 and name HB2 )) 3.87 2.07 0.00 ! #SUP 9.72 !assign ((resid 31 and name HN )) ((resid 31 and name HE* )) 5.18 3.38 0.00 ! #SUP 9.53 !assign ((resid 31 and name HN )) ((resid 31 and name HG1 )) 4.15 2.35 0.00 ! #SUP 9.72 !assign ((resid 31 and name HN )) ((resid 31 and name HG2 )) 3.79 1.99 0.00 ! #SUP 10.00 assign ((resid 31 and name HN )) ((resid 32 and name HB1 )) 5.50 3.70 0.00 ! #SUP 7.20 assign ((resid 31 and name HN )) ((resid 32 and name HD* )) 5.50 3.70 0.00 ! #SUP 6.58 assign ((resid 31 and name HN )) ((resid 32 and name HN )) 3.85 2.05 0.00 ! #SUP 10.00 assign ((resid 31 and name HN )) ((resid 33 and name HN )) 4.46 2.66 0.00 ! #SUP 6.05 !assign (resid 32 and name HD#) (resid 32 and name HA) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.44 !assign (resid 32 and name HD#) (resid 32 and name HB1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.49 !assign (resid 32 and name HD#) (resid 32 and name HB2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.51 !assign (resid 32 and name HE#) (resid 32 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.33 !assign (resid 32 and name HE#) (resid 32 and name HB1) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.35 !assign (resid 32 and name HE#) (resid 32 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.36 !assign (resid 32 and name HE#) (resid 32 and name HD#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.30 !assign (resid 32 and name HE#) (resid 32 and name HZ) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.29 !assign (resid 32 and name HZ) (resid 32 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.43 !assign (resid 32 and name HZ) (resid 32 and name HB1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.48 !assign (resid 32 and name HZ) (resid 32 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.52 !assign (resid 32 and name HZ) (resid 32 and name HD#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.28 !assign ((resid 32 and name HA )) ((resid 32 and name HB2 )) 2.66 0.86 0.00 ! #SUP 3.50 assign ((resid 32 and name HB1 )) ((resid 33 and name HN )) 4.57 2.77 0.00 ! #SUP 7.53 assign ((resid 32 and name HB1 )) ((resid 34 and name HN )) 4.38 2.58 0.00 ! #SUP 5.23 assign ((resid 32 and name HD* )) ((resid 33 and name HN )) 5.16 3.36 0.00 ! #SUP 5.48 assign ((resid 32 and name HD* )) ((resid 34 and name HN )) 5.50 3.70 0.00 ! #SUP 3.91 assign ((resid 32 and name HN )) ((resid 32 and name HB1 )) 3.51 1.71 0.00 ! #SUP 7.52 assign ((resid 32 and name HN )) ((resid 32 and name HD* )) 4.10 2.30 0.00 ! #SUP 6.79 assign ((resid 32 and name HN )) ((resid 33 and name HA2 )) 4.60 2.80 0.00 ! #SUP 3.59 assign ((resid 32 and name HN )) ((resid 33 and name HN )) 3.32 1.52 0.00 ! #SUP 7.44 assign ((resid 32 and name HN )) ((resid 34 and name HN )) 4.14 2.34 0.00 ! #SUP 5.25 assign (resid 32 and name HD#) (resid 31 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.60 assign (resid 32 and name HD#) (resid 31 and name HE#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.54 assign (resid 32 and name HD#) (resid 31 and name HG1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.62 assign (resid 32 and name HD#) (resid 31 and name HG2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.64 assign (resid 32 and name HD#) (resid 34 and name HE#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.50 assign (resid 32 and name HE#) (resid 31 and name HB1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.38 assign (resid 32 and name HE#) (resid 31 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.40 assign (resid 32 and name HE#) (resid 31 and name HD#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.39 assign (resid 32 and name HE#) (resid 31 and name HE#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.37 assign (resid 32 and name HE#) (resid 31 and name HG1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.41 assign (resid 32 and name HE#) (resid 31 and name HG2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.42 assign (resid 32 and name HZ) (resid 31 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.59 assign (resid 32 and name HZ) (resid 31 and name HE#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.53 assign (resid 32 and name HZ) (resid 31 and name HG1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.61 assign (resid 32 and name HZ) (resid 31 and name HG2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.63 assign ((resid 33 and name HN )) ((resid 34 and name HN )) 3.37 1.57 0.00 ! #SUP 7.46 !assign ((resid 34 and name HA )) ((resid 34 and name HD* )) 3.70 1.90 0.00 ! #SUP 6.61 !assign ((resid 34 and name HA )) ((resid 34 and name HG1 )) 4.24 2.44 0.00 ! #SUP 6.23 !assign ((resid 34 and name HA )) ((resid 34 and name HG2 )) 4.09 2.29 0.00 ! #SUP 6.64 assign ((resid 34 and name HA )) ((resid 35 and name HN )) 2.78 0.98 0.00 ! #SUP 6.63 assign ((resid 34 and name HB1 )) ((resid 35 and name HN )) 3.96 2.16 0.00 ! #SUP 5.97 assign ((resid 34 and name HB2 )) ((resid 35 and name HN )) 3.64 1.84 0.00 ! #SUP 5.91 assign ((resid 34 and name HD* )) ((resid 35 and name HN )) 4.23 2.43 0.00 ! #SUP 6.24 !assign ((resid 34 and name HG2 )) ((resid 34 and name HD* )) 2.63 0.83 0.00 ! #SUP 6.92 !assign ((resid 34 and name HG2 )) ((resid 34 and name HE* )) 3.87 2.07 0.00 ! #SUP 3.75 assign ((resid 34 and name HG2 )) ((resid 35 and name HN )) 4.45 2.65 0.00 ! #SUP 6.26 assign ((resid 34 and name HN )) ((resid 34 and name HB1 )) 3.27 1.47 0.00 ! #SUP 7.13 assign ((resid 34 and name HN )) ((resid 34 and name HD* )) 4.27 2.47 0.00 ! #SUP 7.44 !assign ((resid 34 and name HN )) ((resid 34 and name HG1 )) 3.80 2.00 0.00 ! #SUP 7.39 !assign ((resid 34 and name HN )) ((resid 34 and name HG2 )) 4.14 2.34 0.00 ! #SUP 7.52 assign ((resid 34 and name HN )) ((resid 35 and name HN )) 4.77 2.97 0.00 ! #SUP 6.06 assign ((resid 35 and name HN )) ((resid 35 and name HB* )) 2.99 1.19 0.00 ! #SUP 4.06 assign ((resid 35 and name HN )) ((resid 36 and name HG* )) 5.50 3.70 0.00 ! #SUP 3.03 !assign ((resid 35 and name HN )) ((resid 36 and name HN )) 4.69 2.89 0.00 ! #SUP 3.09 diagonal !assign ((resid 36 and name HA )) ((resid 36 and name HB1 )) 2.99 1.19 0.00 ! #SUP 4.28 !assign ((resid 36 and name HA )) ((resid 36 and name HG* )) 4.27 2.47 0.00 ! #SUP 4.97 assign ((resid 36 and name HA )) ((resid 37 and name HD2* )) 4.44 2.64 0.00 ! #SUP 2.78 assign ((resid 36 and name HA )) ((resid 37 and name HN )) 3.22 1.42 0.00 ! #SUP 5.31 !assign ((resid 36 and name HB2 )) ((resid 36 and name HE# )) 2.83 1.03 0.00 ! #SUP 2.68 assign ((resid 36 and name HB2 )) ((resid 37 and name HN )) 3.74 1.94 0.00 ! #SUP 4.90 !!assign ((resid 36 and name HG* )) ((resid 36 and name HE# )) 2.96 1.16 0.00 ! #SUP 2.68 assign ((resid 36 and name HG* )) ((resid 37 and name HN )) 4.60 2.80 0.00 ! #SUP 4.94 !assign ((resid 36 and name HN )) ((resid 36 and name HG* )) 3.75 1.95 0.00 ! #SUP 5.84 !assign ((resid 36 and name HN )) ((resid 37 and name HN )) 4.91 3.11 0.00 ! #SUP 4.70 diagonal assign (resid 36 and name HE# ) (resid 28 and name HE# ) 5.500 3.7 0.0 ! mhnoesy_final2.42 assign ((resid 37 and name HA )) ((resid 38 and name HN )) 2.97 1.17 0.00 ! #SUP 3.81 !assign ((resid 37 and name HB1 )) ((resid 37 and name HD2* )) 4.04 2.24 0.00 ! #SUP 2.91 assign ((resid 37 and name HB1 )) ((resid 38 and name HN )) 4.13 2.33 0.00 ! #SUP 4.24 assign ((resid 37 and name HB2 )) ((resid 38 and name HN )) 3.90 2.10 0.00 ! #SUP 3.81 assign ((resid 37 and name HN )) ((resid 37 and name HB1 )) 3.30 1.50 0.00 ! #SUP 5.69 !assign ((resid 37 and name HN )) ((resid 37 and name HD2* )) 5.08 3.28 0.00 ! #SUP 3.59 !assign ((resid 37 and name HN )) ((resid 38 and name HN )) 4.77 2.97 0.00 ! #SUP 4.03 diagonal assign ((resid 38 and name HA )) ((resid 39 and name HA )) 4.40 2.60 0.00 ! #SUP 6.30 assign ((resid 38 and name HA )) ((resid 39 and name HD1 )) 3.39 1.59 0.00 ! #SUP 8.56 assign ((resid 38 and name HA )) ((resid 39 and name HD2 )) 3.61 1.81 0.00 ! #SUP 8.24 assign ((resid 38 and name HA )) ((resid 39 and name HG1 )) 4.63 2.83 0.00 ! #SUP 6.22 assign ((resid 38 and name HA )) ((resid 39 and name HG2 )) 4.79 2.99 0.00 ! #SUP 6.91 assign ((resid 38 and name HG1 )) ((resid 39 and name HD1 )) 4.53 2.73 0.00 ! #SUP 7.27 assign ((resid 38 and name HG1 )) ((resid 39 and name HD2 )) 5.35 3.55 0.00 ! #SUP 7.04 assign ((resid 38 and name HG1 )) ((resid 39 and name HG2 )) 4.97 3.17 0.00 ! #SUP 5.65 !assign ((resid 38 and name HG2 )) ((resid 38 and name HE# )) 4.06 2.26 0.00 ! #SUP 2.91 assign ((resid 38 and name HG2 )) ((resid 39 and name HD1 )) 4.87 3.07 0.00 ! #SUP 5.54 assign ((resid 38 and name HN )) ((resid 38 and name HB1 )) 3.60 1.80 0.00 ! #SUP 5.83 assign ((resid 38 and name HN )) ((resid 38 and name HB2 )) 3.45 1.65 0.00 ! #SUP 5.35 !assign ((resid 38 and name HN )) ((resid 38 and name HG1 )) 4.54 2.74 0.00 ! #SUP 6.88 assign ((resid 38 and name HN )) ((resid 39 and name HD1 )) 5.22 3.42 0.00 ! #SUP 5.65 assign ((resid 38 and name HN )) ((resid 39 and name HD2 )) 4.94 3.14 0.00 ! #SUP 5.65 assign (resid 38 and name HE# ) (resid 18 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.46 assign (resid 38 and name HE# ) (resid 18 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.45 assign (resid 38 and name HE# ) (resid 52 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.43 assign (resid 38 and name HE# ) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.44 assign ((resid 39 and name HA )) ((resid 40 and name HN )) 2.86 1.06 0.00 ! #SUP 4.79 assign ((resid 39 and name HB1 )) ((resid 40 and name HN )) 4.05 2.25 0.00 ! #SUP 5.06 assign ((resid 39 and name HB2 )) ((resid 40 and name HN )) 3.89 2.09 0.00 ! #SUP 5.14 !assign ((resid 40 and name HA )) ((resid 40 and name HG2 )) 3.96 2.16 0.00 ! #SUP 5.61 assign ((resid 40 and name HA )) ((resid 41 and name HA1 )) 5.11 3.31 0.00 ! #SUP 4.31 assign ((resid 40 and name HA )) ((resid 41 and name HA2 )) 4.83 3.03 0.00 ! #SUP 5.56 assign ((resid 40 and name HA )) ((resid 41 and name HN )) 3.64 1.84 0.00 ! #SUP 8.00 !assign ((resid 40 and name HA )) ((resid 42 and name HN )) 4.63 2.83 0.00 ! #SUP 3.20 assign ((resid 40 and name HB1 )) ((resid 41 and name HN )) 4.82 3.02 0.00 ! #SUP 5.62 assign ((resid 40 and name HB2 )) ((resid 41 and name HN )) 4.53 2.73 0.00 ! #SUP 5.62 assign ((resid 40 and name HG1 )) ((resid 41 and name HA2 )) 5.45 3.65 0.00 ! #SUP 3.66 assign ((resid 40 and name HG1 )) ((resid 41 and name HN )) 4.98 3.18 0.00 ! #SUP 5.72 assign ((resid 40 and name HG1 )) ((resid 55 and name HA )) 4.31 2.51 0.00 ! #SUP 2.53 assign ((resid 40 and name HG1 )) ((resid 56 and name HN )) 5.31 3.51 0.00 ! #SUP 3.33 assign ((resid 40 and name HG2 )) ((resid 41 and name HN )) 4.92 3.12 0.00 ! #SUP 5.59 assign ((resid 40 and name HG2 )) ((resid 55 and name HA )) 3.95 2.15 0.00 ! #SUP 3.73 assign ((resid 40 and name HG2 )) ((resid 55 and name HD2 )) 5.08 3.28 0.00 ! #SUP 1.65 assign ((resid 40 and name HG2 )) ((resid 56 and name HN )) 4.81 3.01 0.00 ! #SUP 4.50 assign ((resid 40 and name HN )) ((resid 40 and name HB1 )) 3.49 1.69 0.00 ! #SUP 5.69 assign ((resid 40 and name HN )) ((resid 40 and name HB2 )) 3.30 1.50 0.00 ! #SUP 5.68 !assign ((resid 40 and name HN )) ((resid 40 and name HG2 )) 4.69 2.89 0.00 ! #SUP 5.82 assign ((resid 40 and name HN )) ((resid 41 and name HN )) 4.67 2.87 0.00 ! #SUP 4.96 assign ((resid 41 and name HA1 )) ((resid 53 and name HD1* )) 4.42 2.62 0.00 ! #SUP 3.84 assign ((resid 41 and name HA1 )) ((resid 53 and name HG11 )) 5.05 3.25 0.00 ! #SUP 4.12 assign ((resid 41 and name HA2 )) ((resid 42 and name HG2 )) 5.50 3.70 0.00 ! #SUP 3.90 assign ((resid 41 and name HA2 )) ((resid 53 and name HD1* )) 4.45 2.65 0.00 ! #SUP 4.95 assign ((resid 41 and name HA2 )) ((resid 53 and name HG11 )) 5.37 3.57 0.00 ! #SUP 5.82 assign ((resid 41 and name HA2 )) ((resid 53 and name HG12 )) 5.46 3.66 0.00 ! #SUP 4.00 assign ((resid 41 and name HN )) ((resid 42 and name HN )) 4.17 2.37 0.00 ! #SUP 4.68 assign ((resid 41 and name HN )) ((resid 53 and name HD1* )) 5.20 3.40 0.00 ! #SUP 5.90 assign ((resid 41 and name HN )) ((resid 53 and name HG11 )) 5.50 3.70 0.00 ! #SUP 6.26 assign ((resid 41 and name HN )) ((resid 53 and name HG12 )) 5.50 3.70 0.00 ! #SUP 4.93 !assign ((resid 41 and name HN )) ((resid 54 and name HN )) 5.50 3.70 0.00 ! #SUP 3.93 diagonal !assign ((resid 42 and name HA )) ((resid 42 and name HD* )) 4.24 2.44 0.00 ! #SUP 6.50 !assign ((resid 42 and name HA )) ((resid 42 and name HE* )) 4.38 2.58 0.00 ! #SUP 6.65 !assign ((resid 42 and name HA )) ((resid 42 and name HG1 )) 4.04 2.24 0.00 ! #SUP 7.22 !assign ((resid 42 and name HA )) ((resid 42 and name HG2 )) 3.87 2.07 0.00 ! #SUP 8.30 assign ((resid 42 and name HA )) ((resid 43 and name HG1* )) 4.35 2.55 0.00 ! #SUP 5.18 assign ((resid 42 and name HA )) ((resid 43 and name HN )) 3.29 1.49 0.00 ! #SUP 7.68 assign ((resid 42 and name HE* )) ((resid 43 and name HN )) 5.19 3.39 0.00 ! #SUP 5.28 assign ((resid 42 and name HG1 )) ((resid 42 and name HE* )) 4.00 2.20 0.00 ! #SUP 5.09 !assign ((resid 42 and name HG2 )) ((resid 42 and name HE* )) 3.71 1.91 0.00 ! #SUP 5.99 assign ((resid 42 and name HG2 )) ((resid 43 and name HN )) 5.20 3.40 0.00 ! #SUP 6.47 assign ((resid 42 and name HN )) ((resid 42 and name HG1 )) 5.50 3.70 0.00 ! #SUP 5.84 !assign ((resid 42 and name HN )) ((resid 42 and name HG2 )) 5.06 3.26 0.00 ! #SUP 7.39 assign ((resid 42 and name HN )) ((resid 43 and name HN )) 5.14 3.34 0.00 ! #SUP 5.12 assign ((resid 42 and name HN )) ((resid 53 and name HA )) 5.35 3.55 0.00 ! #SUP 3.84 assign ((resid 42 and name HN )) ((resid 53 and name HD1* )) 4.88 3.08 0.00 ! #SUP 7.66 assign ((resid 42 and name HN )) ((resid 53 and name HG11 )) 5.13 3.33 0.00 ! #SUP 8.19 assign ((resid 42 and name HN )) ((resid 53 and name HG12 )) 4.82 3.02 0.00 ! #SUP 6.53 assign ((resid 42 and name HN )) ((resid 54 and name HN )) 5.36 3.56 0.00 ! #SUP 4.84 !assign ((resid 43 and name HA )) ((resid 43 and name HG2* )) 3.74 1.94 0.00 ! #SUP 4.70 assign ((resid 43 and name HA )) ((resid 44 and name HN )) 3.59 1.79 0.00 ! #SUP 4.22 assign ((resid 43 and name HA )) ((resid 52 and name HN )) 5.27 3.47 0.00 ! #SUP 3.87 assign ((resid 43 and name HA )) ((resid 53 and name HA )) 3.61 1.81 0.00 ! #SUP 4.52 assign ((resid 43 and name HA )) ((resid 53 and name HB )) 4.12 2.32 0.00 ! #SUP 4.58 assign ((resid 43 and name HA )) ((resid 53 and name HG11 )) 5.38 3.58 0.00 ! #SUP 2.78 assign ((resid 43 and name HG1* )) ((resid 44 and name HN )) 4.70 2.90 0.00 ! #SUP 4.69 assign ((resid 43 and name HG2* )) ((resid 44 and name HB2 )) 5.39 3.59 0.00 ! #SUP 4.52 assign ((resid 43 and name HG2* )) ((resid 44 and name HN )) 4.34 2.54 0.00 ! #SUP 6.78 assign ((resid 43 and name HG2* )) ((resid 45 and name HN )) 5.50 3.70 0.00 ! #SUP 2.65 assign ((resid 43 and name HG2* )) ((resid 51 and name HA )) 5.37 3.57 0.00 ! #SUP 3.86 assign ((resid 43 and name HG2* )) ((resid 51 and name HN )) 5.50 3.70 0.00 ! #SUP 2.13 assign ((resid 43 and name HG2* )) ((resid 52 and name HN )) 5.24 3.44 0.00 ! #SUP 6.18 assign ((resid 43 and name HN )) ((resid 43 and name HB )) 3.48 1.68 0.00 ! #SUP 4.98 !assign ((resid 43 and name HN )) ((resid 43 and name HG1* )) 3.91 2.11 0.00 ! #SUP 6.47 assign ((resid 43 and name HN )) ((resid 53 and name HA )) 5.50 3.70 0.00 ! added manually !assign ((resid 43 and name HN )) ((resid 53 and name HB )) 5.50 3.70 0.00 ! #SUP 4.70 assign ((resid 44 and name HA )) ((resid 45 and name HN )) 3.13 1.33 0.00 ! #SUP 4.86 assign ((resid 44 and name HA )) ((resid 52 and name HN )) 5.50 3.70 0.00 ! #SUP 3.50 assign ((resid 44 and name HB1 )) ((resid 45 and name HN )) 4.30 2.50 0.00 ! #SUP 6.15 assign ((resid 44 and name HB1 )) ((resid 52 and name HD1* )) 5.06 3.26 0.00 ! #SUP 2.14 assign ((resid 44 and name HG* )) ((resid 45 and name HN )) 4.29 2.49 0.00 ! #SUP 5.19 assign ((resid 44 and name HG* )) ((resid 52 and name HN )) 5.50 3.70 0.00 ! #SUP 3.50 assign ((resid 44 and name HN )) ((resid 44 and name HB2 )) 4.08 2.28 0.00 ! #SUP 5.33 !assign ((resid 44 and name HN )) ((resid 44 and name HG* )) 4.26 2.46 0.00 ! #SUP 5.67 assign ((resid 44 and name HN )) ((resid 45 and name HN )) 5.43 3.63 0.00 ! #SUP 5.48 assign ((resid 44 and name HN )) ((resid 51 and name HA )) 5.50 3.70 0.00 ! #SUP 4.57 assign ((resid 44 and name HN )) ((resid 52 and name HD1* )) 5.50 3.70 0.00 ! #SUP 4.88 assign ((resid 44 and name HN )) ((resid 52 and name HG12 )) 5.14 3.34 0.00 ! #SUP 6.62 assign ((resid 44 and name HN )) ((resid 52 and name HN )) 4.71 2.91 0.00 ! #SUP 10.00 assign ((resid 44 and name HN )) ((resid 53 and name HA )) 4.89 3.09 0.00 ! #SUP 5.22 assign (resid 44 and name HE# ) (resid 12 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.60 assign (resid 44 and name HE# ) (resid 12 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.59 assign (resid 44 and name HE# ) (resid 18 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.57 assign (resid 44 and name HE# ) (resid 59 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.61 assign ((resid 45 and name HA )) ((resid 46 and name HN )) 3.35 1.55 0.00 ! #SUP 5.25 assign ((resid 45 and name HA )) ((resid 51 and name HN )) 5.32 3.52 0.00 ! #SUP 2.48 assign ((resid 45 and name HA )) ((resid 52 and name HN )) 4.72 2.92 0.00 ! #SUP 3.77 assign ((resid 45 and name HB1 )) ((resid 46 and name HN )) 4.54 2.74 0.00 ! #SUP 5.27 assign ((resid 45 and name HB2 )) ((resid 46 and name HN )) 4.47 2.67 0.00 ! #SUP 5.25 assign ((resid 45 and name HG1 )) ((resid 46 and name HN )) 5.09 3.29 0.00 ! #SUP 5.27 assign ((resid 45 and name HG2 )) ((resid 46 and name HN )) 4.83 3.03 0.00 ! #SUP 4.68 assign ((resid 45 and name HG2 )) ((resid 49 and name HN )) 5.50 3.70 0.00 ! #SUP 1.22 assign ((resid 45 and name HG2 )) ((resid 51 and name HE* )) 4.28 2.48 0.00 ! #SUP 0.75 assign ((resid 45 and name HG2 )) ((resid 51 and name HG1 )) 4.85 3.05 0.00 ! #SUP 2.00 assign ((resid 45 and name HN )) ((resid 45 and name HB1 )) 3.38 1.58 0.00 ! #SUP 5.63 assign ((resid 45 and name HN )) ((resid 45 and name HB2 )) 3.84 2.04 0.00 ! #SUP 5.49 !assign ((resid 45 and name HN )) ((resid 45 and name HG1 )) 4.18 2.38 0.00 ! #SUP 5.49 assign ((resid 45 and name HN )) ((resid 51 and name HA )) 5.47 3.67 0.00 ! #SUP 3.62 !assign ((resid 46 and name HA )) ((resid 46 and name HB )) 2.40 0.60 0.00 ! #SUP 2.21 !assign ((resid 46 and name HA )) ((resid 46 and name HG2* )) 4.06 2.26 0.00 ! #SUP 3.31 assign ((resid 46 and name HA )) ((resid 47 and name HG* )) 4.26 2.46 0.00 ! #SUP 4.29 assign ((resid 46 and name HA )) ((resid 48 and name HN )) 4.59 2.79 0.00 ! #SUP 4.70 assign ((resid 46 and name HB )) ((resid 47 and name HN )) 3.78 1.98 0.00 ! #SUP 4.51 assign ((resid 46 and name HB )) ((resid 48 and name HN )) 3.88 2.08 0.00 ! #SUP 5.14 assign ((resid 46 and name HB )) ((resid 49 and name HN )) 4.98 3.18 0.00 ! #SUP 4.41 assign ((resid 46 and name HG2* )) ((resid 47 and name HN )) 4.59 2.79 0.00 ! #SUP 4.85 assign ((resid 46 and name HG2* )) ((resid 48 and name HN )) 4.74 2.94 0.00 ! #SUP 5.14 assign ((resid 46 and name HG2* )) ((resid 49 and name HN )) 5.50 3.70 0.00 ! #SUP 4.41 assign ((resid 46 and name HG2* )) ((resid 51 and name HA )) 4.68 2.88 0.00 ! #SUP 3.61 !assign ((resid 46 and name HG2* )) ((resid 52 and name HD1* )) 4.35 2.55 0.00 ! #SUP 1.37 !assign ((resid 46 and name HN )) ((resid 46 and name HG2* )) 3.96 2.16 0.00 ! #SUP 3.40 !assign ((resid 46 and name HN )) ((resid 49 and name HN )) 5.50 3.70 0.00 ! #SUP 5.94 assign ((resid 46 and name HN )) ((resid 50 and name HN )) 4.48 2.68 0.00 ! #SUP 4.98 assign ((resid 46 and name HN )) ((resid 51 and name HA )) 4.22 2.42 0.00 ! #SUP 4.63 assign ((resid 46 and name HN )) ((resid 51 and name HG1 )) 5.50 3.70 0.00 ! #SUP 3.13 assign (resid 46 and name HG2#) (resid 12 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.99 assign (resid 46 and name HG2#) (resid 12 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.97 assign (resid 46 and name HG2#) (resid 52 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.98 !assign ((resid 47 and name HA )) ((resid 47 and name HD* )) 4.06 2.26 0.00 ! #SUP 4.47 !assign ((resid 47 and name HA )) ((resid 47 and name HG* )) 3.38 1.58 0.00 ! #SUP 5.47 !assign ((resid 47 and name HB1 )) ((resid 47 and name HD* )) 3.49 1.69 0.00 ! #SUP 4.43 !assign ((resid 47 and name HB1 )) ((resid 47 and name HG* )) 2.73 0.93 0.00 ! #SUP 5.43 assign ((resid 47 and name HB1 )) ((resid 48 and name HN )) 4.10 2.30 0.00 ! #SUP 6.39 !assign ((resid 47 and name HB2 )) ((resid 47 and name HD* )) 3.80 2.00 0.00 ! #SUP 5.06 assign ((resid 47 and name HB2 )) ((resid 47 and name HG* )) 2.88 1.08 0.00 ! #SUP 6.08 assign ((resid 47 and name HB2 )) ((resid 48 and name HB2 )) 4.47 2.67 0.00 ! #SUP 4.30 assign ((resid 47 and name HB2 )) ((resid 48 and name HN )) 4.32 2.52 0.00 ! #SUP 7.70 assign ((resid 47 and name HG* )) ((resid 48 and name HN )) 4.60 2.80 0.00 ! #SUP 6.89 assign ((resid 47 and name HN )) ((resid 47 and name HB1 )) 3.97 2.17 0.00 ! #SUP 6.35 assign ((resid 47 and name HN )) ((resid 47 and name HB2 )) 3.91 2.11 0.00 ! #SUP 7.25 !assign ((resid 47 and name HN )) ((resid 47 and name HD* )) 5.29 3.49 0.00 ! #SUP 5.64 !assign ((resid 47 and name HN )) ((resid 47 and name HG* )) 4.19 2.39 0.00 ! #SUP 6.92 assign ((resid 47 and name HN )) ((resid 48 and name HN )) 4.03 2.23 0.00 ! #SUP 9.85 !assign ((resid 47 and name HN )) ((resid 49 and name HN )) 5.50 3.70 0.00 ! #SUP 6.74 peak ? !assign ((resid 47 and name HN )) ((resid 50 and name HN )) 5.50 3.70 0.00 ! #SUP 3.95 peak ? assign ((resid 48 and name HA )) ((resid 50 and name HN )) 5.20 3.40 0.00 ! #SUP 3.33 assign ((resid 48 and name HB1 )) ((resid 49 and name HN )) 5.18 3.38 0.00 ! #SUP 4.28 assign ((resid 48 and name HB2 )) ((resid 49 and name HN )) 5.22 3.42 0.00 ! #SUP 4.27 assign ((resid 48 and name HN )) ((resid 48 and name HB2 )) 4.04 2.24 0.00 ! #SUP 5.90 assign ((resid 48 and name HN )) ((resid 49 and name HA2 )) 5.14 3.34 0.00 ! #SUP 3.82 assign ((resid 48 and name HN )) ((resid 49 and name HN )) 3.79 1.99 0.00 ! #SUP 7.78 assign ((resid 48 and name HN )) ((resid 50 and name HN )) 4.52 2.72 0.00 ! #SUP 4.76 assign ((resid 49 and name HN )) ((resid 50 and name HA )) 5.00 3.20 0.00 ! #SUP 3.14 assign ((resid 49 and name HN )) ((resid 50 and name HG2* )) 5.48 3.68 0.00 ! #SUP 3.14 !assign ((resid 49 and name HN )) ((resid 50 and name HN )) 3.66 1.86 0.00 ! #SUP 6.29 diagonal !assign ((resid 50 and name HA )) ((resid 50 and name HG2* )) 3.66 1.86 0.00 ! #SUP 4.00 assign ((resid 50 and name HB )) ((resid 51 and name HN )) 4.47 2.67 0.00 ! #SUP 5.88 assign ((resid 50 and name HG2* )) ((resid 51 and name HN )) 4.12 2.32 0.00 ! #SUP 5.88 !assign ((resid 50 and name HG2* )) ((resid 61 and name HD1 )) 4.61 2.81 0.00 ! #SUP 1.50 !assign ((resid 50 and name HG2* )) ((resid 61 and name HD2 )) 4.67 2.87 0.00 ! #SUP 1.50 !assign ((resid 50 and name HG2* )) ((resid 61 and name HG2 )) 5.50 3.70 0.00 ! #SUP 1.50 assign ((resid 50 and name HN )) ((resid 50 and name HB )) 3.84 2.04 0.00 ! #SUP 4.15 !assign ((resid 50 and name HN )) ((resid 50 and name HG2* )) 3.94 2.14 0.00 ! #SUP 4.62 assign ((resid 50 and name HN )) ((resid 51 and name HN )) 5.13 3.33 0.00 ! #SUP 4.80 assign (resid 50 and name HG2#) (resid 46 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.70 assign ((resid 51 and name HG1 )) ((resid 52 and name HN )) 5.50 3.70 0.00 ! #SUP 6.54 assign ((resid 51 and name HG2 )) ((resid 52 and name HN )) 5.46 3.66 0.00 ! #SUP 6.54 assign ((resid 51 and name HN )) ((resid 51 and name HB1 )) 3.89 2.09 0.00 ! #SUP 6.61 !assign ((resid 51 and name HN )) ((resid 51 and name HE* )) 5.50 3.70 0.00 ! #SUP 4.96 !assign ((resid 51 and name HN )) ((resid 51 and name HG1 )) 4.94 3.14 0.00 ! #SUP 7.43 !assign ((resid 51 and name HN )) ((resid 51 and name HG2 )) 4.82 3.02 0.00 ! #SUP 7.43 assign ((resid 51 and name HN )) ((resid 52 and name HN )) 5.50 3.70 0.00 ! #SUP 7.68 !assign ((resid 52 and name HA )) ((resid 52 and name HD1* )) 4.87 3.07 0.00 ! #SUP 6.53 assign ((resid 52 and name HA )) ((resid 53 and name HG2* )) 5.08 3.28 0.00 ! #SUP 4.05 assign ((resid 52 and name HA )) ((resid 60 and name HE# )) 4.44 2.64 0.00 ! #SUP 3.00 assign ((resid 52 and name HA )) ((resid 60 and name HN )) 5.50 3.70 0.00 ! #SUP 4.00 assign ((resid 52 and name HA )) ((resid 61 and name HN )) 5.50 3.70 0.00 ! #SUP 3.06 assign ((resid 52 and name HA )) ((resid 62 and name HN )) 5.00 3.20 0.00 ! by hand !assign ((resid 52 and name HB )) ((resid 52 and name HD1* )) 4.06 2.26 0.00 ! #SUP 5.98 assign ((resid 52 and name HB )) ((resid 53 and name HN )) 3.82 2.02 0.00 ! #SUP 6.11 assign ((resid 52 and name HB )) ((resid 59 and name HG12 )) 5.24 3.44 0.00 ! #SUP 1.81 assign ((resid 52 and name HB )) ((resid 59 and name HG2* )) 3.96 2.16 0.00 ! #SUP 1.76 !assign ((resid 52 and name HB )) ((resid 60 and name HN )) 5.50 3.70 0.00 ! #SUP 5.36 assign ((resid 52 and name HD1* )) ((resid 53 and name HN )) 5.32 3.52 0.00 ! #SUP 6.03 assign ((resid 52 and name HG12 )) ((resid 53 and name HN )) 5.12 3.32 0.00 ! #SUP 6.24 !assign ((resid 52 and name HN )) ((resid 52 and name HD1* )) 5.13 3.33 0.00 ! #SUP 7.04 assign ((resid 52 and name HN )) ((resid 60 and name HE# )) 5.50 3.70 0.00 ! #SUP 3.17 assign ((resid 52 and name HN )) ((resid 60 and name HZ )) 5.50 3.70 0.00 ! #SUP 0.75 assign (resid 52 and name HD1#) (resid 12 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.15 assign (resid 52 and name HD1#) (resid 12 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.13 assign (resid 52 and name HD1#) (resid 18 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.11 assign (resid 52 and name HD1#) (resid 18 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.10 assign (resid 52 and name HD1#) (resid 44 and name HE#) 7.000 5.2 0.0 ! mhnoesy_final2.9 assign (resid 52 and name HD1#) (resid 46 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.12 assign (resid 52 and name HD1#) (resid 52 and name HG1#) 5.500 3.7 0.0 ! mhnoesy_final2.14 assign (resid 52 and name HD1#) (resid 52 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.7 assign (resid 52 and name HD1#) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.6 assign (resid 52 and name HG2#) (resid 46 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.32 assign (resid 52 and name HG2#) (resid 50 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.31 assign (resid 52 and name HG2#) (resid 52 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.34 assign (resid 52 and name HG2#) (resid 59 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.30 !assign ((resid 53 and name HA )) ((resid 53 and name HG12 )) 3.85 2.05 0.00 ! #SUP 4.99 assign ((resid 53 and name HA )) ((resid 60 and name HE# )) 5.34 3.54 0.00 ! #SUP 0.84 assign ((resid 53 and name HB )) ((resid 54 and name HN )) 4.86 3.06 0.00 ! #SUP 5.67 assign ((resid 53 and name HD1* )) ((resid 55 and name HB1 )) 4.62 2.82 0.00 ! #SUP 4.67 assign ((resid 53 and name HD1* )) ((resid 55 and name HB2 )) 4.58 2.78 0.00 ! #SUP 4.68 assign ((resid 53 and name HD1* )) ((resid 55 and name HD1 )) 5.17 3.37 0.00 ! #SUP 5.23 assign ((resid 53 and name HD1* )) ((resid 55 and name HD2 )) 5.50 3.70 0.00 ! #SUP 4.17 assign ((resid 53 and name HD1* )) ((resid 55 and name HG* )) 4.38 2.58 0.00 ! #SUP 4.68 assign ((resid 53 and name HD1* )) ((resid 56 and name HN )) 5.50 3.70 0.00 ! #SUP 5.30 assign ((resid 53 and name HG11 )) ((resid 54 and name HN )) 4.82 3.02 0.00 ! #SUP 5.64 assign ((resid 53 and name HG12 )) ((resid 54 and name HN )) 4.74 2.94 0.00 ! #SUP 5.77 assign ((resid 53 and name HG2* )) ((resid 60 and name HB1 )) 4.26 2.46 0.00 ! #SUP 4.22 assign ((resid 53 and name HG2* )) ((resid 60 and name HB2 )) 3.97 2.17 0.00 ! #SUP 3.99 assign ((resid 53 and name HG2* )) ((resid 61 and name HN )) 5.50 3.70 0.00 ! #SUP 3.25 !assign ((resid 53 and name HN )) ((resid 53 and name HG2* )) 4.20 2.40 0.00 ! #SUP 4.92 assign ((resid 53 and name HN )) ((resid 59 and name HA )) 5.50 3.70 0.00 ! #SUP 3.74 assign ((resid 53 and name HN )) ((resid 60 and name HB1 )) 5.18 3.38 0.00 ! #SUP 4.28 assign ((resid 53 and name HN )) ((resid 60 and name HB2 )) 5.04 3.24 0.00 ! #SUP 4.73 assign ((resid 53 and name HN )) ((resid 60 and name HD# )) 4.70 2.90 0.00 ! #SUP 3.18 assign ((resid 53 and name HN )) ((resid 60 and name HN )) 4.82 3.02 0.00 ! #SUP 6.61 assign (resid 53 and name HD1#) (resid 43 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.18 assign (resid 53 and name HD1#) (resid 53 and name HG1#) 5.500 3.7 0.0 ! mhnoesy_final2.19 assign (resid 53 and name HD1#) (resid 53 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.17 assign (resid 53 and name HG2#) (resid 43 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.24 assign (resid 53 and name HG2#) (resid 43 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.23 assign (resid 53 and name HG2#) (resid 52 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.21 assign (resid 53 and name HG2#) (resid 53 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.26 assign (resid 53 and name HG2#) (resid 59 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.22 assign (resid 53 and name HG2#) (resid 62 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.25 assign ((resid 54 and name HA )) ((resid 55 and name HN )) 3.61 1.81 0.00 ! #SUP 4.60 assign ((resid 54 and name HA )) ((resid 58 and name HB* )) 4.66 2.86 0.00 ! #SUP 1.93 assign ((resid 54 and name HA )) ((resid 58 and name HN )) 5.00 3.20 0.00 ! #SUP 4.37 assign ((resid 54 and name HA )) ((resid 59 and name HA )) 3.93 2.13 0.00 ! #SUP 4.87 assign ((resid 54 and name HA )) ((resid 59 and name HD1* )) 4.42 2.62 0.00 ! #SUP 7.40 assign ((resid 54 and name HB2 )) ((resid 55 and name HN )) 5.50 3.70 0.00 ! #SUP 4.85 assign ((resid 54 and name HB2 )) ((resid 59 and name HD1* )) 4.98 3.18 0.00 ! #SUP 3.00 assign ((resid 54 and name HG2 )) ((resid 57 and name HN )) 5.50 3.70 0.00 ! #SUP 3.98 assign ((resid 54 and name HG2 )) ((resid 58 and name HN )) 5.13 3.33 0.00 ! #SUP 5.40 assign ((resid 54 and name HG2 )) ((resid 59 and name HA )) 4.47 2.67 0.00 ! #SUP 3.04 assign ((resid 54 and name HG2 )) ((resid 59 and name HD1* )) 4.94 3.14 0.00 ! #SUP 5.02 assign ((resid 54 and name HN )) ((resid 54 and name HG1 )) 5.47 3.67 0.00 ! #SUP 4.46 !assign ((resid 55 and name HA )) ((resid 55 and name HD1 )) 4.46 2.66 0.00 ! #SUP 6.78 !assign ((resid 55 and name HA )) ((resid 55 and name HD2 )) 4.20 2.40 0.00 ! #SUP 6.78 !assign ((resid 55 and name HA )) ((resid 55 and name HE* )) 4.61 2.81 0.00 ! #SUP 6.89 !assign ((resid 55 and name HA )) ((resid 55 and name HG* )) 3.93 2.13 0.00 ! #SUP 8.31 assign ((resid 55 and name HA )) ((resid 56 and name HA1 )) 5.34 3.54 0.00 ! #SUP 5.50 assign ((resid 55 and name HA )) ((resid 56 and name HA2 )) 4.76 2.96 0.00 ! #SUP 5.02 !assign ((resid 55 and name HB1 )) ((resid 55 and name HE* )) 4.94 3.14 0.00 ! #SUP 6.22 assign ((resid 55 and name HB1 )) ((resid 56 and name HN )) 4.98 3.18 0.00 ! #SUP 7.42 !assign ((resid 55 and name HB2 )) ((resid 55 and name HE* )) 4.99 3.19 0.00 ! #SUP 6.21 assign ((resid 55 and name HB2 )) ((resid 56 and name HN )) 5.45 3.65 0.00 ! #SUP 7.42 assign ((resid 55 and name HD1 )) ((resid 56 and name HN )) 5.34 3.54 0.00 ! #SUP 6.86 assign ((resid 55 and name HD2 )) ((resid 56 and name HN )) 5.01 3.21 0.00 ! #SUP 6.81 !assign ((resid 55 and name HG* )) ((resid 55 and name HD1 )) 2.97 1.17 0.00 ! #SUP 6.50 !assign ((resid 55 and name HG* )) ((resid 55 and name HE* )) 3.60 1.80 0.00 ! #SUP 6.58 assign ((resid 55 and name HG* )) ((resid 56 and name HA1 )) 5.50 3.70 0.00 ! #SUP 4.33 assign ((resid 55 and name HG* )) ((resid 56 and name HN )) 4.49 2.69 0.00 ! #SUP 8.53 !assign ((resid 55 and name HN )) ((resid 55 and name HG* )) 5.22 3.42 0.00 ! #SUP 6.46 assign ((resid 55 and name HN )) ((resid 56 and name HN )) 5.50 3.70 0.00 ! #SUP 6.86 assign ((resid 55 and name HN )) ((resid 57 and name HN )) 5.50 3.70 0.00 ! #SUP 4.94 assign ((resid 55 and name HN )) ((resid 58 and name HN )) 4.33 2.53 0.00 ! #SUP 5.47 assign ((resid 55 and name HN )) ((resid 59 and name HD1* )) 5.50 3.70 0.00 ! #SUP 3.40 assign ((resid 56 and name HA2 )) ((resid 58 and name HN )) 4.86 3.06 0.00 ! #SUP 3.53 assign ((resid 56 and name HN )) ((resid 57 and name HN )) 4.51 2.71 0.00 ! #SUP 5.15 assign ((resid 56 and name HN )) ((resid 58 and name HN )) 5.50 3.70 0.00 ! #SUP 4.28 assign ((resid 57 and name HB1 )) ((resid 58 and name HN )) 4.88 3.08 0.00 ! #SUP 5.84 !assign ((resid 57 and name HB2 )) ((resid 57 and name HD2* )) 4.04 2.24 0.00 ! #SUP 3.44 assign ((resid 57 and name HB2 )) ((resid 58 and name HN )) 4.76 2.96 0.00 ! #SUP 5.84 assign ((resid 57 and name HD2* )) ((resid 58 and name HN )) 4.06 2.26 0.00 ! #SUP 5.11 !assign ((resid 57 and name HN )) ((resid 57 and name HD2* )) 5.50 3.70 0.00 ! #SUP 4.97 assign ((resid 57 and name HN )) ((resid 58 and name HB* )) 5.35 3.55 0.00 ! #SUP 4.33 assign ((resid 57 and name HN )) ((resid 58 and name HG2 )) 5.50 3.70 0.00 ! #SUP 4.89 assign ((resid 57 and name HN )) ((resid 58 and name HN )) 3.88 2.08 0.00 ! #SUP 8.91 !assign ((resid 58 and name HA )) ((resid 58 and name HG1 )) 3.46 1.66 0.00 ! #SUP 4.38 !assign ((resid 58 and name HA )) ((resid 58 and name HG2 )) 3.79 1.99 0.00 ! #SUP 5.07 assign ((resid 58 and name HA )) ((resid 59 and name HG2* )) 5.12 3.32 0.00 ! #SUP 4.03 assign ((resid 58 and name HA )) ((resid 59 and name HN )) 3.56 1.76 0.00 ! #SUP 5.75 assign ((resid 58 and name HB* )) ((resid 59 and name HN )) 4.49 2.69 0.00 ! #SUP 5.03 assign ((resid 58 and name HG2 )) ((resid 59 and name HN )) 5.34 3.54 0.00 ! #SUP 4.91 assign ((resid 58 and name HN )) ((resid 58 and name HB* )) 3.80 2.00 0.00 ! #SUP 6.18 !assign ((resid 58 and name HN )) ((resid 58 and name HG2 )) 4.45 2.65 0.00 ! #SUP 6.27 assign ((resid 58 and name HN )) ((resid 59 and name HN )) 5.46 3.66 0.00 ! #SUP 4.55 !assign ((resid 59 and name HA )) ((resid 59 and name HD1* )) 3.84 2.04 0.00 ! #SUP 3.82 !assign ((resid 59 and name HA )) ((resid 59 and name HG12 )) 4.19 2.39 0.00 ! #SUP 5.98 !assign ((resid 59 and name HB )) ((resid 59 and name HD1* )) 4.05 2.25 0.00 ! #SUP 4.37 assign ((resid 59 and name HB )) ((resid 60 and name HN )) 5.21 3.41 0.00 ! #SUP 5.45 assign ((resid 59 and name HG12 )) ((resid 60 and name HN )) 5.50 3.70 0.00 ! #SUP 5.46 assign ((resid 59 and name HN )) ((resid 59 and name HB )) 3.91 2.11 0.00 ! #SUP 6.56 !assign ((resid 59 and name HN )) ((resid 59 and name HG12 )) 4.85 3.05 0.00 ! #SUP 6.59 !assign ((resid 59 and name HN )) ((resid 59 and name HG2* )) 5.39 3.59 0.00 ! #SUP 6.88 assign ((resid 59 and name HN )) ((resid 60 and name HN )) 5.50 3.70 0.00 ! #SUP 4.49 assign (resid 59 and name HD1#) (resid 18 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.4 assign (resid 59 and name HD1#) (resid 44 and name HE#) 7.000 5.2 0.0 ! mhnoesy_final2.2 assign (resid 59 and name HD1#) (resid 52 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.0 assign (resid 59 and name HD1#) (resid 59 and name HG1#) 4.500 2.7 0.0 ! mhnoesy_final2.5 assign (resid 59 and name HG2#) (resid 52 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.36 assign (resid 59 and name HG2#) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.35 assign (resid 59 and name HG2#) (resid 59 and name HG1#) 5.500 3.7 0.0 ! mhnoesy_final2.38 !assign (resid 60 and name HE#) (resid 60 and name HB1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.111 !assign (resid 60 and name HE#) (resid 60 and name HD#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.23 !assign (resid 60 and name HD#) (resid 60 and name HA) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.116 !assign (resid 60 and name HD#) (resid 60 and name HB1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.123 !assign (resid 60 and name HD#) (resid 60 and name HB2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.124 !assign (resid 60 and name HD#) (resid 60 and name HN) 3.400 1.6 0.0 ! 2dnoesy_aromHN.28 !assign (resid 60 and name HZ ) (resid 60 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.75 !assign (resid 60 and name HZ ) (resid 60 and name HE#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.25 !assign (resid 60 and name HZ ) (resid 60 and name HD#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.26 !assign (resid 60 and name HE2) (resid 60 and name HE#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.31 !assign (resid 60 and name HE2) (resid 60 and name HD#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.32 assign ((resid 60 and name HA )) ((resid 62 and name HN )) 5.50 3.70 0.00 ! #SUP 5.14 assign ((resid 60 and name HA )) ((resid 63 and name HB1 )) 5.37 3.57 0.00 ! #SUP 2.31 !assign ((resid 60 and name HA )) ((resid 63 and name HN )) 4.89 3.09 0.00 ! #SUP 4.28 ??? assign ((resid 60 and name HB1 )) ((resid 61 and name HN )) 4.57 2.77 0.00 ! #SUP 3.96 assign ((resid 60 and name HB1 )) ((resid 63 and name HB2 )) 3.80 2.00 0.00 ! #SUP 0.53 !assign ((resid 60 and name HD# )) ((resid 61 and name HN )) 4.77 2.97 0.00 ! #SUP 4.71 assign ((resid 60 and name HD# )) ((resid 62 and name HN )) 4.71 2.91 0.00 ! #SUP 5.41 assign ((resid 60 and name HD# )) ((resid 63 and name HN )) 5.43 3.63 0.00 ! #SUP 3.22 assign ((resid 60 and name HZ )) ((resid 62 and name HN )) 5.50 3.70 0.00 ! #SUP 2.26 assign (resid 60 and name HE#) (resid 43 and name HG2#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.96 assign (resid 60 and name HE#) (resid 51 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.74 assign (resid 60 and name HE#) (resid 52 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.73 assign (resid 60 and name HE#) (resid 53 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.104 assign (resid 60 and name HE#) (resid 53 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.106 !assign (resid 60 and name HE#) (resid 60 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.76 assign (resid 60 and name HE#) (resid 62 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.81 assign (resid 60 and name HE#) (resid 62 and name HD2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.102 assign (resid 60 and name HD#) (resid 43 and name HG1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.134 assign (resid 60 and name HD#) (resid 43 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.132 assign (resid 60 and name HD#) (resid 52 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.112 assign (resid 60 and name HD#) (resid 52 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.139 assign (resid 60 and name HD#) (resid 53 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.140 assign (resid 60 and name HD#) (resid 53 and name HG2#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.141 assign (resid 60 and name HD#) (resid 53 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.25 assign (resid 60 and name HD#) (resid 54 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.115 assign (resid 60 and name HD#) (resid 59 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.117 assign (resid 60 and name HD#) (resid 61 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.29 assign (resid 60 and name HD#) (resid 62 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.122 assign (resid 60 and name HD#) (resid 62 and name HD2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.135 assign (resid 60 and name HZ ) (resid 43 and name HG1#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.99 assign (resid 60 and name HZ ) (resid 43 and name HG2#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.95 assign (resid 60 and name HZ ) (resid 51 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.72 assign (resid 60 and name HZ ) (resid 51 and name HE#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.82 assign (resid 60 and name HZ ) (resid 53 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.103 assign (resid 60 and name HZ ) (resid 53 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.105 assign (resid 60 and name HZ ) (resid 61 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.71 assign (resid 60 and name HZ ) (resid 62 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.80 assign (resid 60 and name HZ ) (resid 62 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.100 assign (resid 60 and name HZ ) (resid 62 and name HD2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.101 !assign ((resid 61 and name HA )) ((resid 62 and name HA )) 5.45 3.65 0.00 ! #SUP 4.76 assign ((resid 61 and name HB* )) ((resid 62 and name HD2* )) 4.15 2.35 0.00 ! #SUP 4.49 assign ((resid 61 and name HB* )) ((resid 63 and name HN )) 5.42 3.62 0.00 ! #SUP 4.21 assign ((resid 61 and name HG2 )) ((resid 62 and name HN )) 4.65 2.85 0.00 ! #SUP 6.35 !assign ((resid 61 and name HN )) ((resid 62 and name HA )) 5.27 3.47 0.00 ! #SUP 7.12 assign ((resid 61 and name HN )) ((resid 62 and name HN )) 5.50 3.70 0.00 ! #SUP 9.71 assign ((resid 61 and name HN )) ((resid 63 and name HB1 )) 5.32 3.52 0.00 ! #SUP 4.84 assign ((resid 61 and name HN )) ((resid 63 and name HN )) 4.89 3.09 0.00 ! #SUP 8.25 assign ((resid 61 and name HN )) ((resid 64 and name HN )) 5.50 3.70 0.00 ! #SUP 8.25 !assign (resid 62 and name HD2#) (resid 62 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.130 !assign (resid 62 and name HD2#) (resid 62 and name HG) 7.000 5.2 0.0 ! mhnoesy_final2.131 !assign (resid 62 and name HD2#) (resid 65 and name HB#) 7.000 5.2 0.0 ! mhnoesy_final2.128 !assign ((resid 62 and name HA )) ((resid 62 and name HD1* )) 4.47 2.67 0.00 ! #SUP 7.56 !assign ((resid 62 and name HA )) ((resid 62 and name HD2* )) 3.87 2.07 0.00 ! #SUP 7.39 !assign ((resid 62 and name HA )) ((resid 63 and name HB1 )) 4.84 3.04 0.00 ! #SUP 5.99 assign ((resid 62 and name HA )) ((resid 64 and name HN )) 5.50 3.70 0.00 ! by hand !assign ((resid 62 and name HB1 )) ((resid 62 and name HD1* )) 4.25 2.45 0.00 ! #SUP 6.24 assign ((resid 62 and name HB1 )) ((resid 63 and name HN )) 5.32 3.52 0.00 ! #SUP 7.35 assign ((resid 62 and name HB1 )) ((resid 66 and name HD1* )) 4.00 2.20 0.00 ! #SUP 1.21 !assign ((resid 62 and name HB2 )) ((resid 62 and name HD1* )) 3.83 2.03 0.00 ! #SUP 6.69 !assign ((resid 62 and name HB2 )) ((resid 62 and name HD2* )) 3.71 1.91 0.00 ! #SUP 6.72 assign ((resid 62 and name HB2 )) ((resid 63 and name HN )) 4.99 3.19 0.00 ! #SUP 8.04 assign ((resid 62 and name HD1* )) ((resid 63 and name HB1 )) 4.87 3.07 0.00 ! #SUP 5.77 assign ((resid 62 and name HD1* )) ((resid 63 and name HN )) 5.16 3.36 0.00 ! #SUP 8.66 assign ((resid 62 and name HD1* )) ((resid 64 and name HN )) 5.50 3.70 0.00 ! #SUP 2.64 assign ((resid 62 and name HD2* )) ((resid 63 and name HN )) 4.74 2.94 0.00 ! #SUP 8.01 assign ((resid 62 and name HD1* )) ((resid 61 and name HN )) 5.27 3.47 0.00 ! #SUP 6.66 changed assignment assign ((resid 62 and name HG )) ((resid 63 and name HN )) 5.11 3.31 0.00 ! #SUP 7.68 assign ((resid 62 and name HG )) ((resid 64 and name HN )) 5.43 3.63 0.00 ! #SUP 4.09 assign ((resid 62 and name HG )) ((resid 65 and name HB1 )) 2.40 0.60 0.00 ! #SUP 1.50 assign ((resid 62 and name HG )) ((resid 65 and name HN )) 5.18 3.38 0.00 ! #SUP 2.13 assign ((resid 62 and name HN )) ((resid 62 and name HB2 )) 4.07 2.27 0.00 ! #SUP 8.36 !assign ((resid 62 and name HN )) ((resid 62 and name HD2* )) 5.36 3.56 0.00 ! #SUP 8.08 !assign ((resid 62 and name HN )) ((resid 62 and name HG )) 5.10 3.30 0.00 ! #SUP 7.49 assign ((resid 62 and name HN )) ((resid 63 and name HN )) 5.26 3.46 0.00 ! #SUP 8.19 assign (resid 62 and name HD2#) (resid 43 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.129 assign ((resid 63 and name HA )) ((resid 64 and name HN )) 3.29 1.49 0.00 ! #SUP 4.51 assign ((resid 63 and name HA )) ((resid 65 and name HN )) 4.70 2.90 0.00 ! #SUP 2.60 assign ((resid 63 and name HB1 )) ((resid 66 and name HD1* )) 5.30 3.50 0.00 ! #SUP 2.46 assign ((resid 63 and name HB2 )) ((resid 64 and name HN )) 4.75 2.95 0.00 ! #SUP 4.01 assign ((resid 63 and name HN )) ((resid 63 and name HB2 )) 4.13 2.33 0.00 ! #SUP 6.04 !assign ((resid 63 and name HN )) ((resid 66 and name HD1* )) 5.50 3.70 0.00 ! #SUP 2.94 not a methyl peak !assign ((resid 64 and name HA )) ((resid 64 and name HG* )) 3.35 1.55 0.00 ! #SUP 3.86 assign ((resid 64 and name HA )) ((resid 67 and name HB1 )) 3.93 2.13 0.00 ! #SUP 2.32 assign ((resid 64 and name HA )) ((resid 67 and name HD* )) 4.03 2.23 0.00 ! #SUP 2.32 assign ((resid 64 and name HA )) ((resid 67 and name HG2 )) 4.09 2.29 0.00 ! #SUP 2.49 assign ((resid 64 and name HB1 )) ((resid 65 and name HN )) 4.24 2.44 0.00 ! #SUP 4.93 assign ((resid 64 and name HB2 )) ((resid 65 and name HN )) 4.26 2.46 0.00 ! #SUP 4.93 assign ((resid 64 and name HG* )) ((resid 65 and name HN )) 4.44 2.64 0.00 ! #SUP 5.95 assign ((resid 64 and name HN )) ((resid 64 and name HB1 )) 3.79 1.99 0.00 ! #SUP 5.04 assign ((resid 64 and name HN )) ((resid 64 and name HB2 )) 3.89 2.09 0.00 ! #SUP 4.99 assign ((resid 64 and name HN )) ((resid 65 and name HB1 )) 5.00 3.20 0.00 ! #SUP 3.51 assign ((resid 64 and name HN )) ((resid 65 and name HN )) 3.52 1.72 0.00 ! #SUP 7.18 !assign ((resid 65 and name HA )) ((resid 65 and name HB1 )) 2.57 0.77 0.00 ! #SUP 2.31 assign ((resid 65 and name HB1 )) ((resid 66 and name HN )) 3.62 1.82 0.00 ! #SUP 4.74 assign ((resid 65 and name HN )) ((resid 65 and name HB1 )) 2.94 1.14 0.00 ! #SUP 4.21 assign ((resid 65 and name HN )) ((resid 66 and name HN )) 3.72 1.92 0.00 ! #SUP 5.63 assign (resid 65 and name HB#) (resid 66 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.64 assign (resid 65 and name HB#) (resid 66 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.63 assign (resid 65 and name HB#) (resid 66 and name HG) 7.000 5.2 0.0 ! mhnoesy_final2.65 assign (resid 65 and name HB#) (resid 7 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.62 !assign ((resid 66 and name HA )) ((resid 66 and name HB* )) 2.94 1.14 0.00 ! #SUP 4.81 !assign ((resid 66 and name HA )) ((resid 66 and name HD1* )) 4.28 2.48 0.00 ! #SUP 5.11 !assign ((resid 66 and name HA )) ((resid 66 and name HD2* )) 3.21 1.41 0.00 ! #SUP 5.00 !assign ((resid 66 and name HB* )) ((resid 66 and name HD1* )) 3.37 1.57 0.00 ! #SUP 4.81 !assign ((resid 66 and name HB* )) ((resid 66 and name HD2* )) 3.48 1.68 0.00 ! #SUP 4.81 assign ((resid 66 and name HD1* )) ((resid 67 and name HN )) 5.34 3.54 0.00 ! #SUP 5.39 assign ((resid 66 and name HD2* )) ((resid 67 and name HN )) 4.96 3.16 0.00 ! #SUP 5.35 assign ((resid 66 and name HN )) ((resid 66 and name HB* )) 3.24 1.44 0.00 ! #SUP 5.33 !assign ((resid 66 and name HN )) ((resid 66 and name HD1* )) 4.78 2.98 0.00 ! #SUP 5.49 !assign ((resid 66 and name HN )) ((resid 66 and name HD2* )) 4.57 2.77 0.00 ! #SUP 5.38 !assign ((resid 66 and name HN )) ((resid 66 and name HG )) 3.64 1.84 0.00 ! #SUP 4.97 assign (resid 66 and name HD1#) (resid 20 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.134 assign (resid 66 and name HD1#) (resid 59 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.132 !assign (resid 66 and name HD2#) (resid 66 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.125 !assign (resid 66 and name HD2#) (resid 66 and name HG) 7.000 5.2 0.0 ! mhnoesy_final2.126 assign (resid 66 and name HD2#) (resid 7 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.120 !assign ((resid 67 and name HB1 )) ((resid 67 and name HD* )) 3.27 1.47 0.00 ! #SUP 4.57 !assign ((resid 67 and name HB1 )) ((resid 67 and name HG1 )) 2.88 1.08 0.00 ! #SUP 5.38 !assign ((resid 67 and name HB2 )) ((resid 67 and name HD* )) 3.51 1.71 0.00 ! #SUP 4.31 assign ((resid 67 and name HG1 )) ((resid 68 and name HN )) 4.69 2.89 0.00 ! #SUP 5.27 assign ((resid 67 and name HN )) ((resid 67 and name HB1 )) 3.30 1.50 0.00 ! #SUP 5.95 assign ((resid 67 and name HN )) ((resid 67 and name HB2 )) 3.58 1.78 0.00 ! #SUP 5.58 !assign ((resid 67 and name HN )) ((resid 67 and name HD* )) 4.65 2.85 0.00 ! #SUP 4.87 assign ((resid 67 and name HN )) ((resid 68 and name HN )) 3.97 2.17 0.00 ! #SUP 4.30 !assign ((resid 68 and name HA )) ((resid 68 and name HB2 )) 2.81 1.01 0.00 ! #SUP 5.25 assign ((resid 68 and name HA )) ((resid 69 and name HN )) 3.11 1.31 0.00 ! #SUP 2.99 assign ((resid 68 and name HB2 )) ((resid 69 and name HN )) 4.26 2.46 0.00 ! #SUP 3.60 !assign ((resid 68 and name HN )) ((resid 69 and name HN )) 3.84 2.04 0.00 ! #SUP 3.19 diagonal assign ((resid 69 and name HA* )) ((resid 70 and name HN )) 3.56 1.76 0.00 ! #SUP 1.20 !assign (resid 70 and name HD2) (resid 70 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.65 !assign (resid 70 and name HD2) (resid 70 and name HB1) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.67 !assign (resid 70 and name HD2) (resid 70 and name HB2) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.68 !assign (resid 70 and name HD2) (resid 70 and name HE1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.27 assign ((resid 70 and name HB1 )) ((resid 71 and name HN )) 5.11 3.31 0.00 ! #SUP 3.55 assign ((resid 70 and name HB2 )) ((resid 71 and name HN )) 5.12 3.32 0.00 ! #SUP 3.55 assign ((resid 70 and name HN )) ((resid 70 and name HB1 )) 4.14 2.34 0.00 ! #SUP 3.29 assign (resid 70 and name HD2) (resid 66 and name HD2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.69 assign ((resid 71 and name HA )) ((resid 72 and name HN )) 3.41 1.61 0.00 ! #SUP 3.20 assign ((resid 71 and name HB* )) ((resid 72 and name HN )) 4.27 2.47 0.00 ! #SUP 3.20 !assign ((resid 71 and name HN )) ((resid 72 and name HN )) 4.69 2.89 0.00 ! #SUP 3.20 diagonal assign ((resid 72 and name HN )) ((resid 72 and name HB1 )) 3.71 1.91 0.00 ! #SUP 3.92 assign ((resid 72 and name HN )) ((resid 72 and name HG* )) 4.70 2.90 0.00 ! #SUP 3.82 ! Distance constraint file from ATNOS/CANDID ! ATNOS/CANDID version 1.1 ! File format : cns ! File generated: 2006 March 4th, 22:59:24 !assign ((resid 16 and name HA )) ((resid 17 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 16 and name HN )) ((resid 17 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 16 and name HB2 )) ((resid 17 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 17 and name HA )) ((resid 18 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 17 and name HN )) ((resid 18 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 17 and name HB2 )) ((resid 18 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 18 and name HA )) ((resid 19 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 18 and name HN )) ((resid 19 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !assign ((resid 18 and name HB )) ((resid 19 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 19 and name HA )) ((resid 20 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 19 and name HN )) ((resid 20 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 19 and name HB2 )) ((resid 20 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 25 and name HA )) ((resid 26 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 25 and name HN )) ((resid 26 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 25 and name HB2 )) ((resid 26 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 26 and name HA )) ((resid 27 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 26 and name HN )) ((resid 27 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 26 and name HB2 )) ((resid 27 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !!assign ((resid 27 and name HA2 )) ((resid 28 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 27 and name HN )) ((resid 28 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !assign ((resid 28 and name HA )) ((resid 29 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 28 and name HN )) ((resid 29 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 28 and name HB2 )) ((resid 29 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 29 and name HA )) ((resid 30 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 29 and name HN )) ((resid 30 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 29 and name HB2 )) ((resid 30 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 35 and name HA )) ((resid 36 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 35 and name HN )) ((resid 36 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 35 and name HB2 )) ((resid 36 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 36 and name HA )) ((resid 37 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 36 and name HN )) ((resid 37 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 36 and name HB2 )) ((resid 37 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 37 and name HA )) ((resid 38 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 37 and name HN )) ((resid 38 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 37 and name HB2 )) ((resid 38 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 50 and name HA )) ((resid 51 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 50 and name HN )) ((resid 51 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !assign ((resid 50 and name HB )) ((resid 51 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 51 and name HA )) ((resid 52 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 51 and name HN )) ((resid 52 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 51 and name HB2 )) ((resid 52 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 52 and name HA )) ((resid 53 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 52 and name HN )) ((resid 53 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !assign ((resid 52 and name HB )) ((resid 53 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 53 and name HA )) ((resid 54 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 53 and name HN )) ((resid 54 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !assign ((resid 53 and name HB )) ((resid 54 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 54 and name HA )) ((resid 55 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 54 and name HN )) ((resid 55 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 54 and name HB2 )) ((resid 55 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 59 and name HA )) ((resid 60 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 59 and name HN )) ((resid 60 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !assign ((resid 59 and name HB )) ((resid 60 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 60 and name HA )) ((resid 61 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 60 and name HN )) ((resid 61 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 60 and name HB2 )) ((resid 61 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 61 and name HA )) ((resid 62 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 61 and name HN )) ((resid 62 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 61 and name HB2 )) ((resid 62 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !! ! !NOEs added manually for structure refinement, 25.04.2006 ! assign ((resid 60 and name HD* )) ((resid 63 and name HN )) 5.00 3.20 0.00 ! assign ((resid 15 and name HN )) ((resid 12 and name HD1# )) 5.50 3.70 0.00 ! assign ((resid 15 and name HN )) ((resid 12 and name HD2# )) 6.00 4.20 0.00 ! !methionine sidechains from 2D NOESY in D2O assign (resid 3 and name HE#) (resid 3 and name HA) 4.500 2.7 0.0 ! metch3.14 assign (resid 3 and name HE#) (resid 3 and name HG1) 4.500 2.7 0.0 ! metch3.16 assign (resid 3 and name HE#) (resid 6 and name HG1#) 6.000 4.2 0.0 ! metch3.19 assign (resid 3 and name HE#) (resid 9 and name HB) 6.000 4.2 0.0 ! metch3.15 assign (resid 26 and name HE#) (resid 18 and name HG2#) 6.000 4.2 0.0 ! metch3.10 assign (resid 26 and name HE#) (resid 20 and name HG1#) 6.000 4.2 0.0 ! metch3.9 assign (resid 28 and name HE#) (resid 12 and name HD2#) 6.000 4.2 0.0 ! metch3.42 assign (resid 28 and name HE#) (resid 16 and name HB1) 6.000 4.2 0.0 ! metch3.37 assign (resid 28 and name HE#) (resid 16 and name HB2) 6.000 4.2 0.0 ! metch3.38 assign (resid 28 and name HE#) (resid 18 and name HG1#) 6.000 4.2 0.0 ! metch3.40 assign (resid 28 and name HE#) (resid 28 and name HA) 6.000 4.2 0.0 ! metch3.35 assign (resid 36 and name HE#) (resid 16 and name HB2) 6.000 4.2 0.0 ! metch3.55 assign (resid 36 and name HE#) (resid 28 and name HA) 6.000 4.2 0.0 ! metch3.50 assign (resid 36 and name HE#) (resid 29 and name HA) 6.000 4.2 0.0 ! metch3.51 assign (resid 36 and name HE#) (resid 30 and name HB1) 6.000 4.2 0.0 ! metch3.57 assign (resid 36 and name HE#) (resid 30 and name HB2) 6.000 4.2 0.0 ! metch3.58 assign (resid 36 and name HE#) (resid 38 and name HA) 6.000 4.2 0.0 ! metch3.53 assign (resid 36 and name HE#) (resid 39 and name HD1) 6.000 4.2 0.0 ! metch3.54 assign (resid 36 and name HE#) (resid 39 and name HD2) 6.000 4.2 0.0 ! metch3.56 assign (resid 26 and name HE#) (resid 54 and name HA) 6.000 4.2 0.0 ! metch3.1 assign (resid 54 and name HE#) (resid 54 and name HA) 6.000 4.2 0.0 ! metch3.43 assign (resid 54 and name HE#) (resid 55 and name HA) 6.000 4.2 0.0 ! metch3.44 assign (resid 26 and name HE#) (resid 57 and name HA) 4.500 2.7 0.0 ! metch3.4 assign (resid 26 and name HE#) (resid 57 and name HB1) 6.000 4.2 0.0 ! metch3.7 assign (resid 26 and name HE#) (resid 57 and name HB2) 6.000 4.2 0.0 ! metch3.6 assign (resid 54 and name HE#) (resid 57 and name HB1) 6.000 4.2 0.0 ! metch3.48 assign (resid 54 and name HE#) (resid 57 and name HB2) 6.000 4.2 0.0 ! metch3.47 assign (resid 26 and name HE#) (resid 59 and name HD1#) 6.000 4.2 0.0 ! metch3.12 assign (resid 26 and name HE#) (resid 59 and name HG11) 6.000 4.2 0.0 ! metch3.8 assign (resid 26 and name HE#) (resid 59 and name HG2#) 6.000 4.2 0.0 ! metch3.11 assign (resid 54 and name HE#) (resid 59 and name HD1#) 6.000 4.2 0.0 ! metch3.49 ! ! !assign (resid 53 and name HN ) (resid 61 and name HA ) 4.00 2.20 0.00 ! #715 invisible dans 2d noe !assign (resid 62 and name HN ) (resid 52 and name HA ) 4.00 2.20 0.00 ! #715 presque invisible dans 2d noesy assign (resid 52 and name HA ) (resid 61 and name HA ) 4.00 2.20 0.00 ! #715 ! ! added constraints with Thr50 OH from 3d nnoesy at 1H=5.87 assign (resid 50 and name HG1 ) (resid 48 and name HN ) 3.00 1.80 0.00 !by hand assign (resid 50 and name HG1 ) (resid 49 and name HN ) 4.00 2.20 0.00 !by hand assign (resid 50 and name HG1 ) (resid 47 and name HN ) 4.00 2.20 0.00 !by hand assign (resid 50 and name HG1 ) (resid 46 and name HN ) 5.00 3.20 0.00 !by hand !H-bond restraints for secondary structures !assign (resid 42 and name HN ) (resid 54 and name 0 ) 3.00 1.80 0.00 ! assign (resid 46 and name HN ) (resid 50 and name 0 ) 3.00 1.80 0.00 ! ! ATNOS/CANDID version 1.1 ! Distance constraint file from ATNOS/CANDID ! File format : cns ! File generated: 2006 May 7th, 1:51:17 !assign ((resid 1 and name HA )) ((resid 1 and name HG* )) 3.66 1.86 0.00 ! #SUP 1.99 assign ((resid 1 and name HG* )) ((resid 2 and name HN )) 4.91 3.11 0.00 ! #SUP 3.52 assign ((resid 1 and name HG* )) ((resid 3 and name HE# )) 3.19 1.39 0.00 ! #SUP 1.38 !assign ((resid 1 and name HG* )) ((resid 6 and name HG1* )) 3.08 1.28 0.00 ! #SUP 1.89 !assign ((resid 1 and name HG* )) ((resid 6 and name HG2* )) 2.64 0.84 0.00 ! #SUP 1.76 assign ((resid 1 and name HG* )) ((resid 18 and name HA )) 5.50 3.70 0.00 ! #SUP 1.27 assign (resid 1 and name HG##) (resid 6 and name HG1#) 4.500 2.7 0.0 ! mhnoesy_final2.67 assign (resid 1 and name HG##) (resid 6 and name HG2#) 4.500 2.7 0.0 ! mhnoesy_final2.66 assign ((resid 2 and name HA )) ((resid 3 and name HN )) 2.82 1.02 0.00 ! #SUP 4.27 assign ((resid 2 and name HB1 )) ((resid 3 and name HN )) 4.45 2.65 0.00 ! #SUP 5.36 assign ((resid 2 and name HB1 )) ((resid 4 and name HN )) 4.99 3.19 0.00 ! #SUP 3.35 assign ((resid 2 and name HB2 )) ((resid 3 and name HN )) 4.30 2.50 0.00 ! #SUP 5.36 assign ((resid 2 and name HB2 )) ((resid 4 and name HN )) 5.02 3.22 0.00 ! #SUP 3.35 !assign ((resid 3 and name HA )) ((resid 3 and name HE# )) 3.47 1.67 0.00 ! #SUP 3.50 !assign ((resid 3 and name HA )) ((resid 3 and name HG1 )) 3.69 1.89 0.00 ! #SUP 6.00 !assign ((resid 3 and name HA )) ((resid 3 and name HG2 )) 3.99 2.19 0.00 ! #SUP 5.66 assign ((resid 3 and name HA )) ((resid 5 and name HN )) 4.14 2.34 0.00 ! #SUP 5.69 assign ((resid 3 and name HA )) ((resid 6 and name HG1* )) 3.31 1.51 0.00 ! #SUP 5.61 assign ((resid 3 and name HA )) ((resid 6 and name HN )) 3.83 2.03 0.00 ! #SUP 4.73 assign ((resid 3 and name HB2 )) ((resid 4 and name HN )) 4.34 2.54 0.00 ! #SUP 5.90 assign ((resid 3 and name HG1 )) ((resid 4 and name HN )) 5.05 3.25 0.00 ! #SUP 6.45 !assign ((resid 3 and name HG2 )) ((resid 3 and name HE# )) 3.15 1.35 0.00 ! #SUP 3.26 assign ((resid 3 and name HN )) ((resid 3 and name HB2 )) 3.59 1.79 0.00 ! #SUP 6.01 assign ((resid 3 and name HN )) ((resid 3 and name HG1 )) 3.42 1.62 0.00 ! #SUP 6.41 assign ((resid 3 and name HN )) ((resid 3 and name HG2 )) 3.79 1.99 0.00 ! #SUP 6.38 assign ((resid 3 and name HN )) ((resid 4 and name HN )) 3.29 1.49 0.00 ! #SUP 8.05 assign ((resid 3 and name HN )) ((resid 5 and name HN )) 4.80 3.00 0.00 ! #SUP 4.26 assign ((resid 3 and name HN )) ((resid 6 and name HG1* )) 5.01 3.21 0.00 ! #SUP 3.95 assign (resid 3 and name HE# ) (resid 1 and name HG##) 4.500 2.7 0.0 ! mhnoesy_final2.39 assign (resid 3 and name HE# ) (resid 6 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.41 assign (resid 3 and name HE# ) (resid 6 and name HG2#) 5.500 3.7 0.0 ! mhnoesy_final2.40 !assign ((resid 4 and name HA )) ((resid 4 and name HB* )) 2.71 0.91 0.00 ! #SUP 2.00 assign ((resid 4 and name HA )) ((resid 5 and name HN )) 3.63 1.83 0.00 ! #SUP 4.57 assign ((resid 4 and name HB* )) ((resid 5 and name HN )) 3.85 2.05 0.00 ! #SUP 4.57 assign ((resid 4 and name HB* )) ((resid 6 and name HN )) 4.75 2.95 0.00 ! #SUP 4.15 assign ((resid 4 and name HN )) ((resid 4 and name HB* )) 3.08 1.28 0.00 ! #SUP 4.20 assign ((resid 4 and name HN )) ((resid 5 and name HA )) 4.93 3.13 0.00 ! #SUP 5.06 assign ((resid 4 and name HN )) ((resid 5 and name HN )) 3.39 1.59 0.00 ! #SUP 9.21 assign ((resid 4 and name HN )) ((resid 6 and name HG1* )) 5.12 3.32 0.00 ! #SUP 6.27 assign ((resid 4 and name HN )) ((resid 6 and name HN )) 4.37 2.57 0.00 ! #SUP 8.48 !assign ((resid 5 and name HA )) ((resid 5 and name HD2* )) 3.86 2.06 0.00 ! #SUP 4.58 assign ((resid 5 and name HA )) ((resid 6 and name HN )) 3.61 1.81 0.00 ! #SUP 6.68 assign ((resid 5 and name HA )) ((resid 22 and name HB* )) 3.74 1.94 0.00 ! #SUP 4.97 assign ((resid 5 and name HA )) ((resid 22 and name HD* )) 3.37 1.57 0.00 ! #SUP 3.86 assign ((resid 5 and name HA )) ((resid 22 and name HG* )) 3.62 1.82 0.00 ! #SUP 4.02 assign ((resid 5 and name HA )) ((resid 22 and name HN )) 4.97 3.17 0.00 ! #SUP 6.28 !assign ((resid 5 and name HB1 )) ((resid 5 and name HD2* )) 3.77 1.97 0.00 ! #SUP 4.49 assign ((resid 5 and name HB1 )) ((resid 6 and name HN )) 4.49 2.69 0.00 ! #SUP 6.68 assign ((resid 5 and name HB1 )) ((resid 21 and name HD* )) 4.22 2.42 0.00 ! #SUP 4.42 assign ((resid 5 and name HB1 )) ((resid 22 and name HN )) 5.21 3.41 0.00 ! #SUP 4.14 assign ((resid 5 and name HB2 )) ((resid 6 and name HN )) 4.48 2.68 0.00 ! #SUP 6.17 assign ((resid 5 and name HB2 )) ((resid 22 and name HB* )) 4.03 2.23 0.00 ! #SUP 2.86 assign ((resid 5 and name HD2* )) ((resid 6 and name HA )) 4.29 2.49 0.00 ! #SUP 4.83 assign ((resid 5 and name HD2* )) ((resid 6 and name HB )) 3.46 1.66 0.00 ! #SUP 5.02 assign ((resid 5 and name HD2* )) ((resid 6 and name HG2* )) 3.93 2.13 0.00 ! #SUP 4.88 assign ((resid 5 and name HD2* )) ((resid 6 and name HN )) 4.15 2.35 0.00 ! #SUP 7.67 assign ((resid 5 and name HD2* )) ((resid 21 and name HD* )) 3.66 1.86 0.00 ! #SUP 5.77 assign ((resid 5 and name HD2* )) ((resid 22 and name HB* )) 4.94 3.14 0.00 ! #SUP 4.29 assign ((resid 5 and name HD2* )) ((resid 22 and name HD* )) 5.03 3.23 0.00 ! #SUP 3.23 assign ((resid 5 and name HD2* )) ((resid 22 and name HN )) 5.50 3.70 0.00 ! #SUP 6.30 assign ((resid 5 and name HN )) ((resid 5 and name HB1 )) 3.33 1.53 0.00 ! #SUP 6.24 assign ((resid 5 and name HN )) ((resid 5 and name HB2 )) 3.65 1.85 0.00 ! #SUP 5.50 assign ((resid 5 and name HN )) ((resid 6 and name HA )) 4.87 3.07 0.00 ! #SUP 5.22 assign ((resid 5 and name HN )) ((resid 6 and name HG1* )) 4.27 2.47 0.00 ! #SUP 5.95 assign ((resid 5 and name HN )) ((resid 6 and name HN )) 3.22 1.42 0.00 ! #SUP 9.78 assign ((resid 5 and name HN )) ((resid 21 and name HD* )) 5.13 3.33 0.00 ! #SUP 3.10 !assign ((resid 6 and name HA )) ((resid 6 and name HG1* )) 3.44 1.64 0.00 ! #SUP 5.31 !assign ((resid 6 and name HA )) ((resid 6 and name HG2* )) 3.40 1.60 0.00 ! #SUP 5.23 assign ((resid 6 and name HA )) ((resid 7 and name HN )) 3.56 1.76 0.00 ! #SUP 4.74 assign ((resid 6 and name HA )) ((resid 8 and name HN )) 4.04 2.24 0.00 ! #SUP 3.56 assign ((resid 6 and name HA )) ((resid 21 and name HA )) 3.23 1.43 0.00 ! #SUP 6.01 assign ((resid 6 and name HA )) ((resid 21 and name HD* )) 4.20 2.40 0.00 ! #SUP 7.65 assign ((resid 6 and name HA )) ((resid 21 and name HN )) 5.09 3.29 0.00 ! #SUP 3.39 assign ((resid 6 and name HG1* )) ((resid 7 and name HN )) 4.74 2.94 0.00 ! #SUP 4.79 assign ((resid 6 and name HG1* )) ((resid 8 and name HN )) 4.85 3.05 0.00 ! #SUP 3.56 assign ((resid 6 and name HG1* )) ((resid 19 and name HB2 )) 4.77 2.97 0.00 ! #SUP 2.75 assign ((resid 6 and name HG1* )) ((resid 22 and name HN )) 5.50 3.70 0.00 ! #SUP 2.42 !assign ((resid 6 and name HG2* )) ((resid 21 and name HD* )) 4.52 2.72 0.00 ! #SUP 7.29 assign ((resid 6 and name HN )) ((resid 6 and name HB )) 2.96 1.16 0.00 ! #SUP 6.51 assign ((resid 6 and name HN )) ((resid 6 and name HG1* )) 3.48 1.68 0.00 ! #SUP 6.00 assign ((resid 6 and name HN )) ((resid 7 and name HG1* )) 5.50 3.70 0.00 ! #SUP 3.22 assign ((resid 6 and name HN )) ((resid 21 and name HA )) 4.76 2.96 0.00 ! #SUP 4.49 assign ((resid 6 and name HN )) ((resid 21 and name HD* )) 4.96 3.16 0.00 ! #SUP 6.21 assign ((resid 6 and name HN )) ((resid 22 and name HG* )) 5.50 3.70 0.00 ! #SUP 3.32 assign (resid 6 and name HG2#) (resid 20 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.104 !assign (resid 6 and name HG2#) (resid 6 and name HG1#) 5.500 3.7 0.0 ! mhnoesy_final2.105 !assign (resid 7 and name HG2#) (resid 7 and name HG1#) 4.500 2.7 0.0 ! mhnoesy_final2.68 !assign ((resid 7 and name HA )) ((resid 7 and name HB )) 2.96 1.16 0.00 ! #SUP 3.61 !assign ((resid 7 and name HA )) ((resid 7 and name HG1* )) 3.30 1.50 0.00 ! #SUP 4.16 !assign ((resid 7 and name HA )) ((resid 7 and name HG2* )) 3.52 1.72 0.00 ! #SUP 3.82 !assign ((resid 7 and name HG2* )) ((resid 20 and name HG1* )) 3.82 2.02 0.00 ! #SUP 2.83 assign ((resid 7 and name HG2* )) ((resid 21 and name HA )) 4.11 2.31 0.00 ! #SUP 6.52 assign ((resid 7 and name HG2* )) ((resid 22 and name HA )) 3.21 1.41 0.00 ! #SUP 4.68 assign ((resid 7 and name HG2* )) ((resid 23 and name HN )) 5.27 3.47 0.00 ! #SUP 4.75 assign ((resid 7 and name HN )) ((resid 7 and name HG1* )) 4.80 3.00 0.00 ! #SUP 5.62 assign ((resid 7 and name HN )) ((resid 8 and name HN )) 3.63 1.83 0.00 ! #SUP 6.81 assign ((resid 7 and name HN )) ((resid 21 and name HA )) 4.11 2.31 0.00 ! #SUP 10.00 assign ((resid 7 and name HN )) ((resid 21 and name HB1 )) 5.50 3.70 0.00 ! #SUP 5.48 assign ((resid 7 and name HN )) ((resid 21 and name HB2 )) 5.50 3.70 0.00 ! #SUP 5.74 assign ((resid 7 and name HN )) ((resid 21 and name HD* )) 5.29 3.49 0.00 ! #SUP 7.89 !assign ((resid 7 and name HN )) ((resid 21 and name HN )) 4.62 2.82 0.00 ! #SUP 7.54 diagonal assign ((resid 7 and name HN )) ((resid 22 and name HN )) 5.00 3.20 0.00 ! #SUP 8.52 assign (resid 7 and name HG1#) (resid 66 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.86 !assign ((resid 8 and name HA )) ((resid 8 and name HD* )) 3.70 1.90 0.00 ! #SUP 6.89 assign ((resid 8 and name HA )) ((resid 9 and name HB )) 4.23 2.43 0.00 ! #SUP 4.71 assign ((resid 8 and name HA )) ((resid 9 and name HN )) 2.94 1.14 0.00 ! #SUP 7.13 assign ((resid 8 and name HB1 )) ((resid 20 and name HG2* )) 4.18 2.38 0.00 ! #SUP 4.54 assign ((resid 8 and name HB1 )) ((resid 20 and name HN )) 4.95 3.15 0.00 ! #SUP 3.92 !assign ((resid 8 and name HB2 )) ((resid 8 and name HD* )) 2.60 0.80 0.00 ! #SUP 6.21 assign ((resid 8 and name HB2 )) ((resid 9 and name HN )) 4.03 2.23 0.00 ! #SUP 6.48 assign ((resid 8 and name HB2 )) ((resid 20 and name HN )) 5.50 3.70 0.00 ! #SUP 2.53 assign ((resid 8 and name HD* )) ((resid 9 and name HN )) 3.95 2.15 0.00 ! #SUP 6.85 assign ((resid 8 and name HE1 )) ((resid 9 and name HN )) 5.39 3.59 0.00 ! #SUP 5.83 assign ((resid 8 and name HE1 )) ((resid 10 and name HE* )) 4.63 2.83 0.00 ! #SUP 0.63 assign ((resid 8 and name HE2 )) ((resid 9 and name HN )) 5.50 3.70 0.00 ! #SUP 5.46 assign ((resid 8 and name HN )) ((resid 8 and name HB1 )) 4.13 2.33 0.00 ! #SUP 5.36 assign ((resid 8 and name HN )) ((resid 9 and name HN )) 4.94 3.14 0.00 ! #SUP 5.63 assign ((resid 8 and name HN )) ((resid 20 and name HN )) 4.34 2.54 0.00 ! #SUP 5.47 assign ((resid 8 and name HN )) ((resid 21 and name HA )) 4.86 3.06 0.00 ! #SUP 3.68 !assign ((resid 9 and name HA )) ((resid 9 and name HG2* )) 3.75 1.95 0.00 ! #SUP 3.84 assign ((resid 9 and name HA )) ((resid 10 and name HD* )) 4.77 2.97 0.00 ! #SUP 3.14 assign ((resid 9 and name HB )) ((resid 10 and name HN )) 4.81 3.01 0.00 ! #SUP 4.51 assign ((resid 9 and name HG2* )) ((resid 10 and name HN )) 4.08 2.28 0.00 ! #SUP 5.57 assign ((resid 9 and name HG2* )) ((resid 11 and name HN )) 4.94 3.14 0.00 ! #SUP 1.81 assign ((resid 9 and name HG2* )) ((resid 17 and name HB1 )) 3.02 1.22 0.00 ! #SUP 2.65 assign ((resid 9 and name HG2* )) ((resid 17 and name HB2 )) 4.48 2.68 0.00 ! #SUP 2.61 assign ((resid 9 and name HG2* )) ((resid 17 and name HD* )) 3.55 1.75 0.00 ! #SUP 2.22 assign ((resid 9 and name HG2* )) ((resid 18 and name HN )) 4.68 2.88 0.00 ! #SUP 6.12 assign ((resid 9 and name HN )) ((resid 9 and name HB )) 3.29 1.49 0.00 ! #SUP 6.64 assign ((resid 9 and name HN )) ((resid 10 and name HN )) 4.94 3.14 0.00 ! #SUP 4.47 assign (resid 9 and name HG2#) (resid 3 and name HE#) 7.000 5.2 0.0 ! mhnoesy_final2.100 assign (resid 9 and name HG2#) (resid 6 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.101 !assign (resid 10 and name HD#) (resid 10 and name HA) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.202 !assign (resid 10 and name HD#) (resid 10 and name HB1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.214 !assign (resid 10 and name HD#) (resid 10 and name HB2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.216 !assign (resid 10 and name HD#) (resid 10 and name HE#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.20 !assign (resid 10 and name HD#) (resid 10 and name HN) 3.400 1.6 0.0 ! 2dnoesy_aromHN.4 !assign (resid 10 and name HE#) (resid 10 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.201 !assign (resid 10 and name HE#) (resid 10 and name HB1) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.213 !assign (resid 10 and name HE#) (resid 10 and name HB2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.215 !assign (resid 10 and name HE#) (resid 10 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.5 !assign ((resid 10 and name HA )) ((resid 10 and name HD* )) 3.91 2.11 0.00 ! #SUP 4.61 assign ((resid 10 and name HA )) ((resid 11 and name HB2 )) 5.50 3.70 0.00 ! #SUP 3.88 assign ((resid 10 and name HA )) ((resid 11 and name HN )) 2.98 1.18 0.00 ! #SUP 6.56 assign ((resid 10 and name HA )) ((resid 12 and name HD2* )) 5.15 3.35 0.00 ! #SUP 4.09 !assign ((resid 10 and name HA )) ((resid 12 and name HN )) 5.50 3.70 0.00 ! #SUP 3.93 assign ((resid 10 and name HA )) ((resid 18 and name HB )) 5.01 3.21 0.00 ! #SUP 7.14 assign ((resid 10 and name HA )) ((resid 18 and name HN )) 5.21 3.41 0.00 ! #SUP 6.36 assign ((resid 10 and name HA )) ((resid 46 and name HG2* )) 4.72 2.92 0.00 ! #SUP 2.99 !assign ((resid 10 and name HB1 )) ((resid 12 and name HN )) 5.50 3.70 0.00 ! #SUP 2.93 assign ((resid 10 and name HB1 )) ((resid 18 and name HB )) 3.97 2.17 0.00 ! #SUP 6.98 assign ((resid 10 and name HB1 )) ((resid 18 and name HN )) 4.71 2.91 0.00 ! #SUP 6.40 assign ((resid 10 and name HB1 )) ((resid 46 and name HG2* )) 5.16 3.36 0.00 ! #SUP 2.79 assign ((resid 10 and name HB1 )) ((resid 52 and name HD1* )) 5.17 3.37 0.00 ! #SUP 3.11 assign ((resid 10 and name HB2 )) ((resid 18 and name HB )) 3.72 1.92 0.00 ! #SUP 6.61 assign ((resid 10 and name HB2 )) ((resid 18 and name HG2* )) 5.20 3.40 0.00 ! #SUP 4.36 assign ((resid 10 and name HB2 )) ((resid 18 and name HN )) 4.50 2.70 0.00 ! #SUP 6.10 assign ((resid 10 and name HB2 )) ((resid 46 and name HG2* )) 5.50 3.70 0.00 ! #SUP 2.47 assign ((resid 10 and name HB2 )) ((resid 52 and name HD1* )) 5.43 3.63 0.00 ! #SUP 2.74 !assign ((resid 10 and name HD* )) ((resid 11 and name HN )) 4.30 2.50 0.00 ! #SUP 4.28 !assign ((resid 10 and name HD* )) ((resid 18 and name HB )) 3.88 2.08 0.00 ! #SUP 7.51 !assign ((resid 10 and name HD* )) ((resid 18 and name HN )) 4.63 2.83 0.00 ! #SUP 7.84 !assign ((resid 10 and name HD* )) ((resid 19 and name HN )) 4.56 2.76 0.00 ! #SUP 2.09 !assign ((resid 10 and name HD* )) ((resid 20 and name HN )) 5.50 3.70 0.00 ! #SUP 2.00 !assign ((resid 10 and name HD* )) ((resid 46 and name HG2* )) 4.15 2.35 0.00 ! #SUP 2.98 !assign ((resid 10 and name HE* )) ((resid 59 and name HB )) 5.24 3.44 0.00 ! #SUP 2.25 !assign ((resid 10 and name HE* )) ((resid 59 and name HD1* )) 4.12 2.32 0.00 ! #SUP 1.74 !assign ((resid 10 and name HE* )) ((resid 59 and name HG12 )) 4.87 3.07 0.00 ! #SUP 2.25 !assign ((resid 10 and name HE* )) ((resid 59 and name HG2* )) 4.40 2.60 0.00 ! #SUP 1.74 !assign ((resid 10 and name HE* )) ((resid 61 and name HD1 )) 5.03 3.23 0.00 ! #SUP 0.75 !assign ((resid 10 and name HE* )) ((resid 61 and name HD2 )) 5.04 3.24 0.00 ! #SUP 0.75 !assign ((resid 10 and name HN )) ((resid 10 and name HD* )) 3.98 2.18 0.00 ! #SUP 7.00 !assign ((resid 10 and name HN )) ((resid 10 and name HE* )) 5.27 3.47 0.00 ! #SUP 2.83 assign ((resid 10 and name HN )) ((resid 11 and name HN )) 4.95 3.15 0.00 ! #SUP 5.26 !assign ((resid 10 and name HN )) ((resid 17 and name HA )) 4.84 3.04 0.00 ! #SUP 2.30 verifie sur 2d noesy assign ((resid 10 and name HN )) ((resid 18 and name HB )) 4.44 2.64 0.00 ! #SUP 9.34 assign ((resid 10 and name HN )) ((resid 18 and name HN )) 4.34 2.54 0.00 ! #SUP 8.98 assign ((resid 10 and name HN )) ((resid 20 and name HN )) 5.33 3.53 0.00 ! #SUP 0.75 assign ((resid 10 and name HN )) ((resid 52 and name HD1* )) 5.50 3.70 0.00 ! #SUP 2.25 assign (resid 10 and name HD#) (resid 18 and name HG1#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.241 assign (resid 10 and name HD#) (resid 18 and name HG2#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.242 assign (resid 10 and name HD#) (resid 50 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.237 assign (resid 10 and name HD#) (resid 52 and name HD1#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.250 assign (resid 10 and name HD#) (resid 52 and name HG2#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.247 assign (resid 10 and name HD#) (resid 59 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.248 assign (resid 10 and name HD#) (resid 9 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.195 assign (resid 10 and name HD#) (resid 9 and name HB) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.209 assign (resid 10 and name HD#) (resid 11 and name HN) 3.400 1.6 0.0 ! 2dnoesy_aromHN.2 assign (resid 10 and name HD#) (resid 18 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.0 assign (resid 10 and name HE#) (resid 50 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.233 assign (resid 10 and name HE#) (resid 52 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.249 assign (resid 10 and name HE#) (resid 52 and name HG2#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.244 assign (resid 10 and name HE#) (resid 59 and name HD1#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.245 assign (resid 10 and name HE#) (resid 61 and name HD1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.210 assign (resid 10 and name HE#) (resid 61 and name HD2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.211 assign (resid 10 and name HE#) (resid 9 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.194 assign (resid 10 and name HE#) (resid 11 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.3 assign ((resid 11 and name HA )) ((resid 12 and name HN )) 3.47 1.67 0.00 ! #SUP 4.09 assign ((resid 11 and name HA )) ((resid 17 and name HA )) 4.15 2.35 0.00 ! #SUP 4.62 assign ((resid 11 and name HA )) ((resid 17 and name HG2 )) 3.29 1.49 0.00 ! #SUP 3.58 assign ((resid 11 and name HA )) ((resid 18 and name HN )) 4.78 2.98 0.00 ! #SUP 6.16 assign ((resid 11 and name HB1 )) ((resid 47 and name HD* )) 4.10 2.30 0.00 ! #SUP 2.61 assign ((resid 11 and name HB1 )) ((resid 47 and name HG* )) 4.13 2.33 0.00 ! #SUP 3.38 assign ((resid 11 and name HB2 )) ((resid 47 and name HB1 )) 4.28 2.48 0.00 ! #SUP 3.83 assign ((resid 11 and name HB2 )) ((resid 47 and name HD* )) 3.99 2.19 0.00 ! #SUP 4.60 assign ((resid 11 and name HB2 )) ((resid 47 and name HG* )) 4.02 2.22 0.00 ! #SUP 5.82 assign ((resid 11 and name HN )) ((resid 11 and name HB2 )) 3.54 1.74 0.00 ! #SUP 5.12 assign ((resid 11 and name HN )) ((resid 12 and name HD2* )) 5.34 3.54 0.00 ! #SUP 5.05 assign ((resid 11 and name HN )) ((resid 17 and name HA )) 5.50 3.70 0.00 ! a la main, 3dnnoesy assign ((resid 11 and name HN )) ((resid 18 and name HN )) 5.50 3.70 0.00 ! a la main, 3dnnoesy assign ((resid 11 and name HN )) ((resid 46 and name HG2* )) 5.03 3.23 0.00 ! #SUP 6.36 !assign ((resid 11 and name HN )) ((resid 47 and name HG* )) 5.50 3.70 0.00 ! #SUP 3.43 assign ((resid 11 and name HN )) ((resid 52 and name HD1* )) 5.50 3.70 0.00 ! #SUP 1.53 assign ((resid 12 and name HA )) ((resid 12 and name HD2* )) 3.88 2.08 0.00 ! #SUP 2.81 assign ((resid 12 and name HA )) ((resid 14 and name HN )) 5.19 3.39 0.00 ! #SUP 4.90 !assign ((resid 12 and name HA )) ((resid 47 and name HN )) 4.19 2.39 0.00 ! #SUP 3.72 epaule assign ((resid 12 and name HB1 )) ((resid 13 and name HN )) 4.04 2.24 0.00 ! #SUP 5.65 assign ((resid 12 and name HB1 )) ((resid 14 and name HN )) 3.96 2.16 0.00 ! #SUP 8.96 assign ((resid 12 and name HB1 )) ((resid 15 and name HA2 )) 5.06 3.26 0.00 ! #SUP 2.21 assign ((resid 12 and name HB1 )) ((resid 15 and name HN )) 4.87 3.07 0.00 ! #SUP 5.27 !assign ((resid 12 and name HB2 )) ((resid 12 and name HD1* )) 3.23 1.43 0.00 ! #SUP 4.54 assign ((resid 12 and name HB2 )) ((resid 15 and name HN )) 4.63 2.83 0.00 ! #SUP 4.54 assign ((resid 12 and name HB2 )) ((resid 16 and name HN )) 4.05 2.25 0.00 ! #SUP 7.17 assign ((resid 12 and name HD1* )) ((resid 13 and name HN )) 5.25 3.45 0.00 ! #SUP 5.71 assign ((resid 12 and name HD1* )) ((resid 14 and name HN )) 4.90 3.10 0.00 ! #SUP 5.76 assign ((resid 12 and name HD1* )) ((resid 16 and name HB1 )) 4.58 2.78 0.00 ! #SUP 4.33 assign ((resid 12 and name HD1* )) ((resid 16 and name HB2 )) 4.19 2.39 0.00 ! #SUP 3.77 assign ((resid 12 and name HD1* )) ((resid 16 and name HN )) 4.81 3.01 0.00 ! #SUP 7.91 assign ((resid 12 and name HD1* )) ((resid 44 and name HB2 )) 4.41 2.61 0.00 ! #SUP 2.35 !assign ((resid 12 and name HD1* )) ((resid 44 and name HG* )) 4.43 2.63 0.00 ! #SUP 3.32 assign ((resid 12 and name HD1* )) ((resid 45 and name HN )) 5.50 3.70 0.00 ! #SUP 4.82 assign ((resid 12 and name HD2* )) ((resid 13 and name HN )) 4.57 2.77 0.00 ! #SUP 6.72 assign ((resid 12 and name HD2* )) ((resid 14 and name HN )) 5.16 3.36 0.00 ! #SUP 6.33 assign ((resid 12 and name HD2* )) ((resid 16 and name HN )) 5.50 3.70 0.00 ! #SUP 5.99 assign ((resid 12 and name HD2* )) ((resid 17 and name HA )) 5.33 3.53 0.00 ! #SUP 5.07 assign ((resid 12 and name HD2* )) ((resid 17 and name HN )) 5.50 3.70 0.00 ! #SUP 5.58 !assign ((resid 12 and name HD2* )) ((resid 18 and name HG1* )) 4.20 2.40 0.00 ! #SUP 1.32 assign ((resid 12 and name HD2* )) ((resid 18 and name HN )) 5.37 3.57 0.00 ! #SUP 5.21 assign ((resid 12 and name HD2* )) ((resid 44 and name HB1 )) 5.24 3.44 0.00 ! #SUP 2.36 assign ((resid 12 and name HD2* )) ((resid 46 and name HA )) 4.03 2.23 0.00 ! #SUP 4.98 !assign ((resid 12 and name HD2* )) ((resid 46 and name HG2* )) 3.95 2.15 0.00 ! #SUP 5.79 assign ((resid 12 and name HD2* )) ((resid 47 and name HN )) 5.02 3.22 0.00 ! #SUP 6.96 ! ok, verifie assign ((resid 12 and name HG )) ((resid 13 and name HN )) 5.22 3.42 0.00 ! #SUP 4.65 assign ((resid 12 and name HG )) ((resid 16 and name HN )) 5.44 3.64 0.00 ! #SUP 4.59 assign ((resid 12 and name HG )) ((resid 17 and name HA )) 4.72 2.92 0.00 ! #SUP 2.40 assign ((resid 12 and name HN )) ((resid 12 and name HB2 )) 4.12 2.32 0.00 ! #SUP 4.95 !assign ((resid 12 and name HN )) ((resid 12 and name HD1* )) 4.85 3.05 0.00 ! #SUP 5.56 !assign ((resid 12 and name HN )) ((resid 12 and name HD2* )) 4.62 2.82 0.00 ! #SUP 6.76 !assign ((resid 12 and name HN )) ((resid 12 and name HG )) 3.99 2.19 0.00 ! #SUP 5.27 assign ((resid 12 and name HN )) ((resid 14 and name HN )) 5.50 3.70 0.00 ! #SUP 7.37 assign ((resid 12 and name HN )) ((resid 15 and name HN )) 5.50 3.70 0.00 ! #SUP 5.13 assign ((resid 12 and name HN )) ((resid 16 and name HB2 )) 5.50 3.70 0.00 ! #SUP 4.84 assign ((resid 12 and name HN )) ((resid 16 and name HN )) 5.35 3.55 0.00 ! #SUP 10.00 assign ((resid 12 and name HN )) ((resid 17 and name HA )) 4.36 2.56 0.00 ! #SUP 9.11 assign ((resid 12 and name HN )) ((resid 17 and name HG2 )) 5.02 3.22 0.00 ! #SUP 6.65 !assign ((resid 12 and name HN )) ((resid 18 and name HN )) 4.34 2.54 0.00 ! #SUP 6.39 diagonal !assign ((resid 12 and name HN )) ((resid 46 and name HA )) 5.43 3.63 0.00 ! #SUP 3.12 !assign ((resid 12 and name HN )) ((resid 47 and name HN )) 4.70 2.90 0.00 ! #SUP 6.55 pas de NOE sur 12HN assign (resid 12 and name HD1#) (resid 18 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.143 assign (resid 12 and name HD2#) (resid 12 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.114 assign (resid 12 and name HD2#) (resid 12 and name HG) 7.000 5.2 0.0 ! mhnoesy_final2.115 assign (resid 12 and name HD2#) (resid 18 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.111 assign (resid 12 and name HD2#) (resid 38 and name HE#) 7.000 5.2 0.0 ! mhnoesy_final2.108 assign (resid 12 and name HD2#) (resid 52 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.106 assign (resid 12 and name HD2#) (resid 52 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.113 assign (resid 12 and name HD2#) (resid 52 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.107 !assign ((resid 13 and name HA )) ((resid 13 and name HG1 )) 3.78 1.98 0.00 ! #SUP 4.48 !assign ((resid 13 and name HA )) ((resid 13 and name HG2 )) 3.94 2.14 0.00 ! #SUP 5.12 assign ((resid 13 and name HA )) ((resid 47 and name HA )) 3.15 1.35 0.00 ! #SUP 8.46 assign ((resid 13 and name HA )) ((resid 47 and name HB1 )) 4.68 2.88 0.00 ! #SUP 2.62 assign ((resid 13 and name HA )) ((resid 47 and name HG* )) 3.76 1.96 0.00 ! #SUP 2.62 assign ((resid 13 and name HA )) ((resid 47 and name HN )) 5.00 3.20 0.00 ! #SUP 6.87 assign ((resid 13 and name HB1 )) ((resid 14 and name HN )) 3.96 2.16 0.00 ! #SUP 7.18 assign ((resid 13 and name HB1 )) ((resid 47 and name HA )) 5.07 3.27 0.00 ! #SUP 3.75 !assign ((resid 13 and name HB2 )) ((resid 13 and name HE21 )) 5.50 3.70 0.00 ! #SUP 3.54 assign ((resid 13 and name HB2 )) ((resid 47 and name HA )) 4.81 3.01 0.00 ! #SUP 5.59 assign ((resid 13 and name HB2 )) ((resid 47 and name HN )) 5.50 3.70 0.00 ! #SUP 3.82 assign ((resid 13 and name HG1 )) ((resid 14 and name HN )) 5.05 3.25 0.00 ! #SUP 6.57 assign ((resid 13 and name HG1 )) ((resid 47 and name HA )) 4.24 2.44 0.00 ! #SUP 5.02 assign ((resid 13 and name HG1 )) ((resid 47 and name HB2 )) 4.35 2.55 0.00 ! #SUP 0.75 assign ((resid 13 and name HG2 )) ((resid 14 and name HN )) 4.87 3.07 0.00 ! #SUP 7.13 assign ((resid 13 and name HG2 )) ((resid 47 and name HA )) 4.51 2.71 0.00 ! #SUP 3.24 assign ((resid 13 and name HN )) ((resid 13 and name HB1 )) 3.67 1.87 0.00 ! #SUP 5.16 assign ((resid 13 and name HN )) ((resid 14 and name HN )) 3.84 2.04 0.00 ! #SUP 8.04 !assign ((resid 13 and name HN )) ((resid 45 and name HN )) 5.50 3.70 0.00 ! #SUP 2.40 diagonal assign ((resid 13 and name HN )) ((resid 46 and name HA )) 4.06 2.26 0.00 ! #SUP 3.89 assign ((resid 13 and name HN )) ((resid 46 and name HG2* )) 5.50 3.70 0.00 ! #SUP 3.83 assign ((resid 13 and name HN )) ((resid 47 and name HA )) 5.21 3.41 0.00 ! #SUP 5.28 assign ((resid 13 and name HN )) ((resid 47 and name HN )) 4.91 3.11 0.00 ! #SUP 7.25 assign ((resid 14 and name HA )) ((resid 14 and name HB2 )) 3.03 1.23 0.00 ! #SUP 3.00 assign ((resid 14 and name HB1 )) ((resid 15 and name HN )) 4.84 3.04 0.00 ! #SUP 3.89 assign ((resid 14 and name HB2 )) ((resid 15 and name HN )) 5.01 3.21 0.00 ! #SUP 3.89 assign ((resid 14 and name HN )) ((resid 14 and name HB1 )) 3.57 1.77 0.00 ! #SUP 5.21 assign ((resid 14 and name HN )) ((resid 14 and name HB2 )) 3.65 1.85 0.00 ! #SUP 5.21 assign ((resid 14 and name HN )) ((resid 15 and name HA1 )) 4.48 2.68 0.00 ! #SUP 3.82 assign ((resid 14 and name HN )) ((resid 15 and name HA2 )) 4.83 3.03 0.00 ! #SUP 3.82 !assign ((resid 14 and name HN )) ((resid 15 and name HN )) 3.53 1.73 0.00 ! #SUP 6.90 diagonal !assign ((resid 14 and name HN )) ((resid 16 and name HN )) 3.80 2.00 0.00 ! #SUP 3.00 diagonal assign ((resid 15 and name HA1 )) ((resid 31 and name HB1 )) 4.15 2.35 0.00 ! #SUP 4.30 assign ((resid 15 and name HA1 )) ((resid 31 and name HB2 )) 4.36 2.56 0.00 ! #SUP 3.30 assign ((resid 15 and name HA2 )) ((resid 31 and name HA )) 2.90 1.10 0.00 ! #SUP 2.58 assign ((resid 15 and name HA2 )) ((resid 31 and name HB1 )) 4.21 2.41 0.00 ! #SUP 6.17 assign ((resid 15 and name HA2 )) ((resid 31 and name HB2 )) 4.43 2.63 0.00 ! #SUP 5.08 assign ((resid 15 and name HA2 )) ((resid 31 and name HN )) 5.50 3.70 0.00 ! #SUP 2.97 assign ((resid 15 and name HN )) ((resid 16 and name HN )) 3.61 1.81 0.00 ! #SUP 3.96 assign ((resid 16 and name HA )) ((resid 17 and name HN )) 3.29 1.49 0.00 ! #SUP 5.74 assign ((resid 16 and name HB1 )) ((resid 17 and name HN )) 3.68 1.88 0.00 ! #SUP 4.99 assign ((resid 16 and name HB1 )) ((resid 29 and name HN )) 5.33 3.53 0.00 ! #SUP 3.67 assign ((resid 16 and name HB2 )) ((resid 17 and name HN )) 3.83 2.03 0.00 ! #SUP 4.99 assign ((resid 16 and name HB2 )) ((resid 29 and name HN )) 5.36 3.56 0.00 ! #SUP 3.13 assign ((resid 16 and name HN )) ((resid 16 and name HB1 )) 3.92 2.12 0.00 ! #SUP 4.29 assign ((resid 16 and name HN )) ((resid 16 and name HB2 )) 3.93 2.13 0.00 ! #SUP 4.09 assign ((resid 16 and name HN )) ((resid 17 and name HN )) 4.60 2.80 0.00 ! #SUP 5.35 !assign ((resid 17 and name HA )) ((resid 17 and name HD* )) 4.31 2.51 0.00 ! #SUP 6.95 assign ((resid 17 and name HA )) ((resid 18 and name HN )) 3.33 1.53 0.00 ! #SUP 6.39 !assign ((resid 17 and name HB1 )) ((resid 17 and name HD* )) 3.61 1.81 0.00 ! #SUP 6.75 assign ((resid 17 and name HB1 )) ((resid 18 and name HN )) 4.28 2.48 0.00 ! #SUP 5.91 assign ((resid 17 and name HB1 )) ((resid 29 and name HN )) 5.50 3.70 0.00 ! #SUP 2.06 !assign ((resid 17 and name HB2 )) ((resid 17 and name HD* )) 3.05 1.25 0.00 ! #SUP 6.86 assign ((resid 17 and name HB2 )) ((resid 29 and name HG* )) 4.99 3.19 0.00 ! #SUP 3.65 !assign ((resid 17 and name HG2 )) ((resid 17 and name HD* )) 3.05 1.25 0.00 ! #SUP 7.44 assign ((resid 17 and name HG2 )) ((resid 18 and name HN )) 5.39 3.59 0.00 ! #SUP 6.07 !assign ((resid 17 and name HN )) ((resid 17 and name HD* )) 5.13 3.33 0.00 ! #SUP 8.26 !assign ((resid 17 and name HN )) ((resid 17 and name HG2 )) 4.89 3.09 0.00 ! #SUP 8.66 assign ((resid 17 and name HN )) ((resid 28 and name HA )) 4.98 3.18 0.00 ! #SUP 3.70 assign ((resid 17 and name HN )) ((resid 29 and name HG* )) 4.97 3.17 0.00 ! #SUP 3.73 !assign ((resid 18 and name HA )) ((resid 18 and name HG1* )) 3.55 1.75 0.00 ! #SUP 3.31 !assign ((resid 18 and name HA )) ((resid 18 and name HG2* )) 3.50 1.70 0.00 ! #SUP 3.91 assign ((resid 18 and name HA )) ((resid 19 and name HN )) 3.32 1.52 0.00 ! #SUP 4.04 assign ((resid 18 and name HA )) ((resid 27 and name HN )) 4.70 2.90 0.00 ! #SUP 4.06 assign ((resid 18 and name HA )) ((resid 28 and name HA )) 3.51 1.71 0.00 ! #SUP 7.08 assign ((resid 18 and name HA )) ((resid 28 and name HN )) 4.78 2.98 0.00 ! #SUP 4.17 assign ((resid 18 and name HB )) ((resid 52 and name HD1* )) 5.21 3.41 0.00 ! #SUP 2.46 assign ((resid 18 and name HG1* )) ((resid 28 and name HA )) 4.21 2.41 0.00 ! #SUP 6.10 assign ((resid 18 and name HG1* )) ((resid 29 and name HN )) 5.20 3.40 0.00 ! #SUP 4.19 !assign ((resid 18 and name HG1* )) ((resid 52 and name HD1* )) 4.79 2.99 0.00 ! #SUP 1.50 assign ((resid 18 and name HG2* )) ((resid 19 and name HA )) 4.89 3.09 0.00 ! #SUP 5.67 assign ((resid 18 and name HG2* )) ((resid 19 and name HN )) 3.91 2.11 0.00 ! #SUP 5.91 assign ((resid 18 and name HG2* )) ((resid 27 and name HN )) 4.78 2.98 0.00 ! #SUP 4.53 assign ((resid 18 and name HG2* )) ((resid 28 and name HN )) 5.50 3.70 0.00 ! #SUP 3.28 assign ((resid 18 and name HN )) ((resid 18 and name HB )) 3.71 1.91 0.00 ! #SUP 6.06 !assign ((resid 18 and name HN )) ((resid 18 and name HG1* )) 4.24 2.44 0.00 ! #SUP 4.42 assign ((resid 18 and name HN )) ((resid 19 and name HN )) 5.24 3.44 0.00 ! #SUP 3.56 assign ((resid 18 and name HN )) ((resid 52 and name HD1* )) 5.50 3.70 0.00 ! #SUP 1.50 assign (resid 18 and name HG1#) (resid 12 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.92 assign (resid 18 and name HG1#) (resid 12 and name HG) 7.000 5.2 0.0 ! mhnoesy_final2.93 assign (resid 18 and name HG1#) (resid 18 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.91 assign (resid 18 and name HG1#) (resid 44 and name HE#) 5.500 3.7 0.0 ! mhnoesy_final2.90 assign (resid 18 and name HG1#) (resid 59 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.89 assign (resid 18 and name HG2#) (resid 12 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.80 assign (resid 18 and name HG2#) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.76 !assign (resid 19 and name HD2) (resid 19 and name HA) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.253 !assign (resid 19 and name HD2) (resid 19 and name HB1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.263 !assign (resid 19 and name HD2) (resid 19 and name HB2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.264 !assign (resid 19 and name HE1) (resid 19 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.1 !assign (resid 19 and name HE1) (resid 19 and name HB1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.7 !assign (resid 19 and name HE1) (resid 19 and name HD2) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.0 assign ((resid 19 and name HB1 )) ((resid 20 and name HN )) 4.20 2.40 0.00 ! #SUP 4.07 assign ((resid 19 and name HB1 )) ((resid 27 and name HN )) 4.77 2.97 0.00 ! #SUP 2.31 assign ((resid 19 and name HB2 )) ((resid 20 and name HN )) 4.37 2.57 0.00 ! #SUP 4.18 assign ((resid 19 and name HN )) ((resid 19 and name HB1 )) 4.17 2.37 0.00 ! #SUP 4.44 assign ((resid 19 and name HN )) ((resid 19 and name HB2 )) 3.82 2.02 0.00 ! #SUP 4.64 assign ((resid 19 and name HN )) ((resid 20 and name HA )) 5.18 3.38 0.00 ! #SUP 4.02 assign ((resid 19 and name HN )) ((resid 20 and name HN )) 5.16 3.36 0.00 ! #SUP 6.52 assign ((resid 19 and name HN )) ((resid 21 and name HD* )) 5.34 3.54 0.00 ! #SUP 2.00 assign ((resid 19 and name HN )) ((resid 27 and name HA1 )) 5.50 3.70 0.00 ! #SUP 2.38 assign ((resid 19 and name HN )) ((resid 27 and name HN )) 3.85 2.05 0.00 ! #SUP 8.19 assign (resid 19 and name HD2) (resid 17 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.271 assign (resid 19 and name HD2) (resid 17 and name HD#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.269 assign (resid 19 and name HD2) (resid 18 and name HG1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.273 assign (resid 19 and name HD2) (resid 18 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.274 assign (resid 19 and name HD2) (resid 27 and name HA1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.256 assign (resid 19 and name HD2) (resid 28 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.252 assign (resid 19 and name HD2) (resid 29 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.254 assign (resid 19 and name HD2) (resid 29 and name HG#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.265 assign (resid 19 and name HD2) (resid 6 and name HG1#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.277 assign (resid 19 and name HD2) (resid 6 and name HG2#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.275 assign (resid 19 and name HD2) (resid 9 and name HB) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.262 assign (resid 19 and name HE1) (resid 1 and name HG##) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.18 assign (resid 19 and name HE1) (resid 17 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.2 assign (resid 19 and name HE1) (resid 17 and name HB2) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.15 assign (resid 19 and name HE1) (resid 29 and name HG#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.8 assign (resid 19 and name HE1) (resid 6 and name HG1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.19 assign (resid 19 and name HE1) (resid 6 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.17 !assign (resid 20 and name HG1#) (resid 1 and name HG##) 6.000 4.2 0.0 ! mhnoesy_final2.82 !assign ((resid 20 and name HA )) ((resid 20 and name HG1* )) 3.24 1.44 0.00 ! #SUP 4.84 !assign ((resid 20 and name HA )) ((resid 20 and name HG2* )) 3.30 1.50 0.00 ! #SUP 4.68 assign ((resid 20 and name HA )) ((resid 21 and name HB1 )) 4.49 2.69 0.00 ! #SUP 4.87 assign ((resid 20 and name HA )) ((resid 21 and name HD* )) 4.77 2.97 0.00 ! #SUP 5.71 assign ((resid 20 and name HA )) ((resid 21 and name HN )) 3.21 1.41 0.00 ! #SUP 5.72 assign ((resid 20 and name HA )) ((resid 26 and name HA )) 3.42 1.62 0.00 ! #SUP 7.31 assign ((resid 20 and name HA )) ((resid 27 and name HN )) 4.35 2.55 0.00 ! #SUP 7.07 assign ((resid 20 and name HG1* )) ((resid 21 and name HB1 )) 5.50 3.70 0.00 ! #SUP 3.23 assign ((resid 20 and name HG1* )) ((resid 21 and name HN )) 3.76 1.96 0.00 ! #SUP 4.08 assign ((resid 20 and name HG1* )) ((resid 24 and name HA1 )) 4.48 2.68 0.00 ! #SUP 2.24 assign ((resid 20 and name HG1* )) ((resid 24 and name HA2 )) 4.82 3.02 0.00 ! #SUP 2.24 assign ((resid 20 and name HG1* )) ((resid 24 and name HN )) 4.74 2.94 0.00 ! #SUP 5.28 assign ((resid 20 and name HG1* )) ((resid 25 and name HN )) 5.50 3.70 0.00 ! #SUP 6.99 assign ((resid 20 and name HG2* )) ((resid 26 and name HB1 )) 5.46 3.66 0.00 ! #SUP 6.04 !assign ((resid 20 and name HG2* )) ((resid 59 and name HD1* )) 3.96 2.16 0.00 ! #SUP 0.88 assign ((resid 20 and name HN )) ((resid 20 and name HB )) 3.67 1.87 0.00 ! #SUP 6.02 !assign ((resid 20 and name HN )) ((resid 20 and name HG2* )) 3.84 2.04 0.00 ! #SUP 4.93 assign ((resid 20 and name HN )) ((resid 21 and name HA )) 5.50 3.70 0.00 ! #SUP 4.24 assign ((resid 20 and name HN )) ((resid 21 and name HD* )) 5.50 3.70 0.00 ! #SUP 4.93 assign ((resid 20 and name HN )) ((resid 21 and name HN )) 5.41 3.61 0.00 ! #SUP 4.95 assign (resid 20 and name HG1#) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.138 assign (resid 20 and name HG1#) (resid 59 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.81 assign (resid 20 and name HG1#) (resid 66 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.84 assign (resid 20 and name HG1#) (resid 66 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.83 assign (resid 20 and name HG2#) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.71 assign (resid 20 and name HG2#) (resid 59 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.75 assign (resid 20 and name HG2#) (resid 59 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.72 assign (resid 20 and name HG2#) (resid 66 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.73 !assign (resid 21 and name HD#) (resid 21 and name HA) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.147 !assign (resid 21 and name HD#) (resid 21 and name HB1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.164 !assign (resid 21 and name HD#) (resid 21 and name HB2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.167 !assign (resid 21 and name HD#) (resid 22 and name HN) 3.400 1.6 0.0 ! 2dnoesy_aromHN.18 !assign (resid 21 and name HD#) (resid 23 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.16 !assign (resid 21 and name HD1) (resid 21 and name HN) 2.800 1.0 0.0 ! 2dnoesy_aromHN.20 !assign (resid 21 and name HE#) (resid 21 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.146 !assign (resid 21 and name HE#) (resid 21 and name HB1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.165 !assign (resid 21 and name HE#) (resid 21 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.169 !assign (resid 21 and name HE#) (resid 21 and name HD#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.24 !assign (resid 21 and name HE1) (resid 21 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.21 !assign ((resid 21 and name HA )) ((resid 21 and name HD* )) 3.84 2.04 0.00 ! #SUP 6.42 assign ((resid 21 and name HA )) ((resid 22 and name HA )) 4.37 2.57 0.00 ! #SUP 5.99 assign ((resid 21 and name HA )) ((resid 22 and name HG* )) 4.80 3.00 0.00 ! #SUP 6.25 assign ((resid 21 and name HA )) ((resid 22 and name HN )) 3.49 1.69 0.00 ! #SUP 8.30 assign ((resid 21 and name HA )) ((resid 23 and name HN )) 4.41 2.61 0.00 ! #SUP 7.72 assign ((resid 21 and name HB1 )) ((resid 23 and name HN )) 3.84 2.04 0.00 ! #SUP 6.64 assign ((resid 21 and name HB1 )) ((resid 24 and name HN )) 4.64 2.84 0.00 ! #SUP 7.72 assign ((resid 21 and name HB1 )) ((resid 25 and name HB1 )) 4.82 3.02 0.00 ! #SUP 6.96 assign ((resid 21 and name HB1 )) ((resid 25 and name HB2 )) 4.65 2.85 0.00 ! #SUP 5.56 assign ((resid 21 and name HB1 )) ((resid 25 and name HE* )) 4.27 2.47 0.00 ! #SUP 1.70 assign ((resid 21 and name HB1 )) ((resid 25 and name HN )) 4.27 2.47 0.00 ! #SUP 8.94 assign ((resid 21 and name HB1 )) ((resid 26 and name HN )) 5.01 3.21 0.00 ! #SUP 4.54 assign ((resid 21 and name HB2 )) ((resid 22 and name HN )) 3.80 2.00 0.00 ! #SUP 6.99 assign ((resid 21 and name HB2 )) ((resid 23 and name HN )) 3.78 1.98 0.00 ! #SUP 7.48 assign ((resid 21 and name HB2 )) ((resid 24 and name HN )) 4.95 3.15 0.00 ! #SUP 7.01 assign ((resid 21 and name HB2 )) ((resid 25 and name HB2 )) 5.16 3.36 0.00 ! #SUP 4.85 assign ((resid 21 and name HB2 )) ((resid 25 and name HN )) 4.49 2.69 0.00 ! #SUP 6.18 !assign ((resid 21 and name HD* )) ((resid 22 and name HN )) 4.43 2.63 0.00 ! #SUP 6.02 !assign ((resid 21 and name HD* )) ((resid 23 and name HN )) 4.80 3.00 0.00 ! #SUP 5.27 !assign ((resid 21 and name HD* )) ((resid 25 and name HB2 )) 4.08 2.28 0.00 ! #SUP 4.57 !assign ((resid 21 and name HD* )) ((resid 25 and name HN )) 4.60 2.80 0.00 ! #SUP 6.58 !assign ((resid 21 and name HD* )) ((resid 26 and name HA )) 3.72 1.92 0.00 ! #SUP 6.24 !assign ((resid 21 and name HD* )) ((resid 26 and name HB2 )) 4.94 3.14 0.00 ! #SUP 0.02 !assign ((resid 21 and name HD* )) ((resid 26 and name HN )) 4.42 2.62 0.00 ! #SUP 5.78 !assign ((resid 21 and name HD* )) ((resid 27 and name HA1 )) 4.26 2.46 0.00 ! #SUP 1.69 !assign ((resid 21 and name HD* )) ((resid 27 and name HN )) 4.01 2.21 0.00 ! #SUP 5.40 !assign ((resid 21 and name HE* )) ((resid 27 and name HN )) 5.16 3.36 0.00 ! #SUP 1.29 assign ((resid 21 and name HN )) ((resid 21 and name HB1 )) 3.74 1.94 0.00 ! #SUP 6.32 assign ((resid 21 and name HN )) ((resid 21 and name HB2 )) 3.92 2.12 0.00 ! #SUP 5.65 !assign ((resid 21 and name HN )) ((resid 21 and name HD* )) 3.75 1.95 0.00 ! #SUP 6.49 assign ((resid 21 and name HN )) ((resid 22 and name HN )) 4.69 2.89 0.00 ! #SUP 6.04 assign ((resid 21 and name HN )) ((resid 23 and name HN )) 4.87 3.07 0.00 ! #SUP 6.62 assign ((resid 21 and name HN )) ((resid 24 and name HN )) 5.14 3.34 0.00 ! #SUP 7.48 assign ((resid 21 and name HN )) ((resid 25 and name HA )) 5.15 3.35 0.00 ! #SUP 2.73 assign ((resid 21 and name HN )) ((resid 25 and name HN )) 4.85 3.05 0.00 ! #SUP 7.32 assign ((resid 21 and name HN )) ((resid 26 and name HA )) 3.98 2.18 0.00 ! #SUP 5.19 assign (resid 21 and name HD#) (resid 1 and name HG##) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.187 assign (resid 21 and name HD#) (resid 19 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.149 assign (resid 21 and name HD#) (resid 19 and name HB1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.173 assign (resid 21 and name HD#) (resid 19 and name HB2) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.175 assign (resid 21 and name HD#) (resid 19 and name HD2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.21 assign (resid 21 and name HD#) (resid 20 and name HG1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.183 assign (resid 21 and name HD#) (resid 25 and name HN) 4.400 2.6 0.0 ! 2dnoesy_aromHN.14 assign (resid 21 and name HD#) (resid 26 and name HA) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.145 assign (resid 21 and name HD#) (resid 26 and name HN) 3.400 1.6 0.0 ! 2dnoesy_aromHN.17 assign (resid 21 and name HD#) (resid 27 and name HA1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.151 assign (resid 21 and name HD#) (resid 27 and name HA2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.157 assign (resid 21 and name HD#) (resid 27 and name HN) 3.400 1.6 0.0 ! 2dnoesy_aromHN.19 assign (resid 21 and name HD#) (resid 5 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.150 assign (resid 21 and name HD#) (resid 5 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.15 assign (resid 21 and name HD#) (resid 6 and name HG1#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.190 assign (resid 21 and name HD#) (resid 7 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.22 assign (resid 21 and name HE#) (resid 1 and name HG##) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.189 assign (resid 21 and name HE#) (resid 19 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.148 assign (resid 21 and name HE#) (resid 19 and name HB1) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.174 assign (resid 21 and name HE#) (resid 19 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.176 assign (resid 21 and name HE#) (resid 19 and name HD2) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.22 assign (resid 21 and name HE#) (resid 26 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.144 assign (resid 21 and name HE#) (resid 27 and name HA1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.152 assign (resid 21 and name HE#) (resid 27 and name HA2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.160 assign (resid 21 and name HE#) (resid 6 and name HG1#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.191 !assign ((resid 22 and name HA )) ((resid 22 and name HB* )) 2.83 1.03 0.00 ! #SUP 4.42 !assign ((resid 22 and name HA )) ((resid 22 and name HG* )) 3.33 1.53 0.00 ! #SUP 5.05 !assign ((resid 22 and name HB* )) ((resid 22 and name HG* )) 2.96 1.16 0.00 ! #SUP 5.45 assign ((resid 22 and name HB* )) ((resid 23 and name HN )) 4.03 2.23 0.00 ! #SUP 7.15 !assign ((resid 22 and name HD* )) ((resid 22 and name HE* )) 2.81 1.01 0.00 ! #SUP 1.31 assign ((resid 22 and name HG* )) ((resid 23 and name HN )) 4.45 2.65 0.00 ! #SUP 7.51 assign ((resid 22 and name HN )) ((resid 22 and name HB* )) 3.40 1.60 0.00 ! #SUP 6.30 !assign ((resid 22 and name HN )) ((resid 22 and name HD* )) 4.80 3.00 0.00 ! #SUP 4.49 !assign ((resid 22 and name HN )) ((resid 22 and name HG* )) 3.88 2.08 0.00 ! #SUP 6.53 assign ((resid 22 and name HN )) ((resid 23 and name HN )) 3.73 1.93 0.00 ! #SUP 9.77 assign ((resid 22 and name HN )) ((resid 24 and name HN )) 5.30 3.50 0.00 ! #SUP 5.13 !assign ((resid 23 and name HA )) ((resid 23 and name HB1 )) 2.99 1.19 0.00 ! #SUP 3.00 !assign ((resid 23 and name HA )) ((resid 23 and name HB2 )) 2.92 1.12 0.00 ! #SUP 3.00 assign ((resid 23 and name HA )) ((resid 25 and name HN )) 5.17 3.37 0.00 ! #SUP 2.49 assign ((resid 23 and name HB1 )) ((resid 24 and name HN )) 4.87 3.07 0.00 ! #SUP 4.22 assign ((resid 23 and name HB2 )) ((resid 24 and name HN )) 5.22 3.42 0.00 ! #SUP 4.22 assign ((resid 23 and name HN )) ((resid 23 and name HB1 )) 3.67 1.87 0.00 ! #SUP 4.92 assign ((resid 23 and name HN )) ((resid 23 and name HB2 )) 3.80 2.00 0.00 ! #SUP 4.92 assign ((resid 23 and name HN )) ((resid 24 and name HA1 )) 4.44 2.64 0.00 ! #SUP 4.10 assign ((resid 23 and name HN )) ((resid 24 and name HA2 )) 4.58 2.78 0.00 ! #SUP 4.10 !assign ((resid 23 and name HN )) ((resid 24 and name HN )) 3.33 1.53 0.00 ! #SUP 9.01 diagonal assign ((resid 23 and name HN )) ((resid 25 and name HB2 )) 5.50 3.70 0.00 ! #SUP 2.49 assign ((resid 23 and name HN )) ((resid 25 and name HN )) 4.51 2.71 0.00 ! #SUP 5.00 assign ((resid 24 and name HN )) ((resid 25 and name HA )) 5.13 3.33 0.00 ! #SUP 4.26 assign ((resid 24 and name HN )) ((resid 25 and name HB2 )) 5.06 3.26 0.00 ! #SUP 4.65 assign ((resid 24 and name HN )) ((resid 25 and name HN )) 3.65 1.85 0.00 ! #SUP 7.36 !assign ((resid 25 and name HA )) ((resid 25 and name HD* )) 3.70 1.90 0.00 ! #SUP 6.05 !assign ((resid 25 and name HA )) ((resid 25 and name HG1 )) 3.40 1.60 0.00 ! #SUP 6.61 !assign ((resid 25 and name HA )) ((resid 25 and name HG2 )) 3.68 1.88 0.00 ! #SUP 6.56 assign ((resid 25 and name HA )) ((resid 26 and name HN )) 2.87 1.07 0.00 ! #SUP 5.39 !assign ((resid 25 and name HB2 )) ((resid 25 and name HD* )) 3.54 1.74 0.00 ! #SUP 4.76 !assign ((resid 25 and name HD* )) ((resid 25 and name HE* )) 2.75 0.95 0.00 ! #SUP 3.62 !assign ((resid 25 and name HG1 )) ((resid 25 and name HD* )) 2.89 1.09 0.00 ! #SUP 6.31 assign ((resid 25 and name HG1 )) ((resid 26 and name HN )) 4.17 2.37 0.00 ! #SUP 5.80 !assign ((resid 25 and name HG2 )) ((resid 25 and name HD* )) 2.92 1.12 0.00 ! #SUP 5.31 assign ((resid 25 and name HG2 )) ((resid 26 and name HN )) 4.36 2.56 0.00 ! #SUP 5.75 !assign ((resid 25 and name HN )) ((resid 25 and name HB1 )) 3.65 1.85 0.00 ! #SUP 7.03 !assign ((resid 25 and name HN )) ((resid 25 and name HB2 )) 3.52 1.72 0.00 ! #SUP 7.30 !assign ((resid 25 and name HN )) ((resid 25 and name HD* )) 4.73 2.93 0.00 ! #SUP 7.42 !assign ((resid 25 and name HN )) ((resid 25 and name HE* )) 5.50 3.70 0.00 ! #SUP 5.33 !assign ((resid 25 and name HN )) ((resid 25 and name HG1 )) 4.09 2.29 0.00 ! #SUP 8.01 !assign ((resid 25 and name HN )) ((resid 25 and name HG2 )) 3.83 2.03 0.00 ! #SUP 7.93 assign ((resid 25 and name HN )) ((resid 26 and name HN )) 4.53 2.73 0.00 ! #SUP 5.68 !assign ((resid 26 and name HA )) ((resid 26 and name HG1 )) 3.91 2.11 0.00 ! #SUP 4.99 !assign ((resid 26 and name HA )) ((resid 26 and name HG2 )) 3.99 2.19 0.00 ! #SUP 4.18 assign ((resid 26 and name HA )) ((resid 27 and name HN )) 3.20 1.40 0.00 ! #SUP 4.94 !assign ((resid 26 and name HB1 )) ((resid 26 and name HE# )) 2.40 0.60 0.00 ! #SUP 3.17 assign ((resid 26 and name HE# )) ((resid 59 and name HB )) 2.66 0.86 0.00 ! #SUP 1.50 assign ((resid 26 and name HE# )) ((resid 59 and name HG12 )) 4.64 2.84 0.00 ! #SUP 2.35 assign ((resid 26 and name HN )) ((resid 27 and name HN )) 4.65 2.85 0.00 ! #SUP 3.86 assign (resid 26 and name HE# ) (resid 20 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.49 assign (resid 26 and name HE# ) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.47 assign (resid 26 and name HE# ) (resid 59 and name HG1#) 4.500 2.7 0.0 ! mhnoesy_final2.50 assign ((resid 27 and name HA1 )) ((resid 28 and name HN )) 3.47 1.67 0.00 ! #SUP 3.13 assign ((resid 27 and name HA2 )) ((resid 28 and name HN )) 3.33 1.53 0.00 ! #SUP 3.18 !assign ((resid 28 and name HA )) ((resid 28 and name HG2 )) 4.13 2.33 0.00 ! #SUP 4.91 assign ((resid 28 and name HA )) ((resid 29 and name HA )) 5.03 3.23 0.00 ! #SUP 3.99 assign ((resid 28 and name HA )) ((resid 29 and name HN )) 3.30 1.50 0.00 ! #SUP 5.24 assign ((resid 28 and name HN )) ((resid 28 and name HB1 )) 3.87 2.07 0.00 ! #SUP 4.41 assign ((resid 28 and name HN )) ((resid 28 and name HB2 )) 3.62 1.82 0.00 ! #SUP 4.78 assign (resid 28 and name HE# ) (resid 12 and name HD1#) 5.500 3.7 0.0 ! mhnoesy_final2.54 assign (resid 28 and name HE# ) (resid 12 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.53 assign (resid 28 and name HE# ) (resid 18 and name HG1#) 5.500 3.7 0.0 ! mhnoesy_final2.52 assign (resid 28 and name HE# ) (resid 18 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.51 !assign ((resid 29 and name HA )) ((resid 29 and name HG* )) 3.93 2.13 0.00 ! #SUP 4.31 assign ((resid 29 and name HA )) ((resid 30 and name HN )) 3.05 1.25 0.00 ! #SUP 4.58 assign ((resid 29 and name HA )) ((resid 34 and name HN )) 4.41 2.61 0.00 ! #SUP 4.20 assign ((resid 29 and name HA )) ((resid 35 and name HA )) 3.84 2.04 0.00 ! #SUP 3.34 assign ((resid 29 and name HA )) ((resid 35 and name HB* )) 4.23 2.43 0.00 ! #SUP 2.57 assign ((resid 29 and name HA )) ((resid 36 and name HG* )) 4.04 2.24 0.00 ! #SUP 2.94 assign ((resid 29 and name HA )) ((resid 36 and name HN )) 3.73 1.93 0.00 ! #SUP 4.61 assign ((resid 29 and name HB1 )) ((resid 33 and name HA2 )) 4.84 3.04 0.00 ! #SUP 0.75 assign ((resid 29 and name HG* )) ((resid 30 and name HN )) 4.46 2.66 0.00 ! #SUP 4.61 assign ((resid 29 and name HG* )) ((resid 33 and name HN )) 5.04 3.24 0.00 ! #SUP 3.12 assign ((resid 29 and name HG* )) ((resid 34 and name HN )) 5.16 3.36 0.00 ! #SUP 5.57 assign ((resid 29 and name HG* )) ((resid 35 and name HN )) 5.50 3.70 0.00 ! #SUP 1.50 assign ((resid 29 and name HG* )) ((resid 36 and name HN )) 4.98 3.18 0.00 ! #SUP 3.23 assign ((resid 29 and name HN )) ((resid 29 and name HB1 )) 3.92 2.12 0.00 ! #SUP 4.49 assign ((resid 29 and name HN )) ((resid 29 and name HG* )) 4.16 2.36 0.00 ! #SUP 5.65 !assign ((resid 29 and name HN )) ((resid 30 and name HN )) 5.50 3.70 0.00 ! #SUP 4.59 diagonal !assign ((resid 30 and name HA )) ((resid 30 and name HD2* )) 5.50 3.70 0.00 ! #SUP 4.22 assign ((resid 30 and name HA )) ((resid 31 and name HN )) 3.57 1.77 0.00 ! #SUP 6.08 assign ((resid 30 and name HB1 )) ((resid 31 and name HN )) 3.72 1.92 0.00 ! #SUP 7.64 assign ((resid 30 and name HB1 )) ((resid 32 and name HE* )) 4.70 2.90 0.00 ! #SUP 1.23 assign ((resid 30 and name HB1 )) ((resid 32 and name HN )) 4.71 2.91 0.00 ! #SUP 5.99 assign ((resid 30 and name HB1 )) ((resid 34 and name HN )) 5.22 3.42 0.00 ! #SUP 3.77 assign ((resid 30 and name HB1 )) ((resid 36 and name HG* )) 5.35 3.55 0.00 ! #SUP 2.85 assign ((resid 30 and name HB2 )) ((resid 31 and name HN )) 3.96 2.16 0.00 ! #SUP 7.51 assign ((resid 30 and name HD2* )) ((resid 31 and name HN )) 5.50 3.70 0.00 ! #SUP 9.31 assign ((resid 30 and name HD2* )) ((resid 32 and name HB1 )) 5.50 3.70 0.00 ! #SUP 3.66 assign ((resid 30 and name HD2* )) ((resid 32 and name HD* )) 5.50 3.70 0.00 ! #SUP 3.66 assign ((resid 30 and name HD2* )) ((resid 32 and name HN )) 3.65 1.85 0.00 ! #SUP 8.91 assign ((resid 30 and name HD2* )) ((resid 33 and name HN )) 4.35 2.55 0.00 ! #SUP 8.59 assign ((resid 30 and name HD2* )) ((resid 34 and name HB1 )) 4.98 3.18 0.00 ! #SUP 3.20 assign ((resid 30 and name HD2* )) ((resid 34 and name HB2 )) 5.14 3.34 0.00 ! #SUP 4.15 assign ((resid 30 and name HD2* )) ((resid 34 and name HG2 )) 5.50 3.70 0.00 ! #SUP 5.03 assign ((resid 30 and name HD2* )) ((resid 34 and name HN )) 5.30 3.50 0.00 ! #SUP 9.80 assign ((resid 30 and name HN )) ((resid 30 and name HB1 )) 3.88 2.08 0.00 ! #SUP 5.40 assign ((resid 30 and name HN )) ((resid 30 and name HB2 )) 4.05 2.25 0.00 ! #SUP 5.54 !assign ((resid 30 and name HN )) ((resid 30 and name HD2* )) 5.28 3.48 0.00 ! #SUP 5.40 assign ((resid 30 and name HN )) ((resid 31 and name HN )) 5.15 3.35 0.00 ! #SUP 7.66 assign ((resid 30 and name HN )) ((resid 32 and name HN )) 4.62 2.82 0.00 ! #SUP 7.24 assign ((resid 30 and name HN )) ((resid 33 and name HN )) 4.90 3.10 0.00 ! #SUP 8.02 assign ((resid 30 and name HN )) ((resid 34 and name HG2 )) 5.50 3.70 0.00 ! #SUP 3.91 assign ((resid 30 and name HN )) ((resid 34 and name HN )) 3.70 1.90 0.00 ! #SUP 10.00 assign ((resid 30 and name HN )) ((resid 36 and name HG* )) 4.21 2.41 0.00 ! #SUP 4.58 !assign ((resid 31 and name HA )) ((resid 31 and name HB2 )) 3.01 1.21 0.00 ! #SUP 6.10 !assign ((resid 31 and name HB1 )) ((resid 31 and name HE* )) 4.62 2.82 0.00 ! #SUP 8.49 assign ((resid 31 and name HB1 )) ((resid 32 and name HE* )) 5.32 3.52 0.00 ! #SUP 4.33 assign ((resid 31 and name HB1 )) ((resid 32 and name HN )) 4.63 2.83 0.00 ! #SUP 10.00 !assign ((resid 31 and name HB2 )) ((resid 31 and name HE* )) 5.24 3.44 0.00 ! #SUP 7.86 assign ((resid 31 and name HB2 )) ((resid 32 and name HN )) 5.33 3.53 0.00 ! #SUP 9.93 assign ((resid 31 and name HE* )) ((resid 32 and name HN )) 5.43 3.63 0.00 ! #SUP 9.74 !assign ((resid 31 and name HG1 )) ((resid 31 and name HE* )) 4.18 2.38 0.00 ! #SUP 7.74 assign ((resid 31 and name HG1 )) ((resid 32 and name HN )) 4.38 2.58 0.00 ! #SUP 9.93 !assign ((resid 31 and name HG2 )) ((resid 31 and name HE* )) 3.54 1.74 0.00 ! #SUP 7.87 assign ((resid 31 and name HG2 )) ((resid 32 and name HN )) 4.25 2.45 0.00 ! #SUP 10.00 assign ((resid 31 and name HN )) ((resid 31 and name HB1 )) 3.67 1.87 0.00 ! #SUP 10.00 assign ((resid 31 and name HN )) ((resid 31 and name HB2 )) 3.87 2.07 0.00 ! #SUP 9.72 !assign ((resid 31 and name HN )) ((resid 31 and name HE* )) 5.18 3.38 0.00 ! #SUP 9.53 !assign ((resid 31 and name HN )) ((resid 31 and name HG1 )) 4.15 2.35 0.00 ! #SUP 9.72 !assign ((resid 31 and name HN )) ((resid 31 and name HG2 )) 3.79 1.99 0.00 ! #SUP 10.00 assign ((resid 31 and name HN )) ((resid 32 and name HB1 )) 5.50 3.70 0.00 ! #SUP 7.20 assign ((resid 31 and name HN )) ((resid 32 and name HD* )) 5.50 3.70 0.00 ! #SUP 6.58 assign ((resid 31 and name HN )) ((resid 32 and name HN )) 3.85 2.05 0.00 ! #SUP 10.00 assign ((resid 31 and name HN )) ((resid 33 and name HN )) 4.46 2.66 0.00 ! #SUP 6.05 !assign (resid 32 and name HD#) (resid 32 and name HA) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.44 !assign (resid 32 and name HD#) (resid 32 and name HB1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.49 !assign (resid 32 and name HD#) (resid 32 and name HB2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.51 !assign (resid 32 and name HE#) (resid 32 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.33 !assign (resid 32 and name HE#) (resid 32 and name HB1) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.35 !assign (resid 32 and name HE#) (resid 32 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.36 !assign (resid 32 and name HE#) (resid 32 and name HD#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.30 !assign (resid 32 and name HE#) (resid 32 and name HZ) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.29 !assign (resid 32 and name HZ) (resid 32 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.43 !assign (resid 32 and name HZ) (resid 32 and name HB1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.48 !assign (resid 32 and name HZ) (resid 32 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.52 !assign (resid 32 and name HZ) (resid 32 and name HD#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.28 !assign ((resid 32 and name HA )) ((resid 32 and name HB2 )) 2.66 0.86 0.00 ! #SUP 3.50 assign ((resid 32 and name HB1 )) ((resid 33 and name HN )) 4.57 2.77 0.00 ! #SUP 7.53 assign ((resid 32 and name HB1 )) ((resid 34 and name HN )) 4.38 2.58 0.00 ! #SUP 5.23 assign ((resid 32 and name HD* )) ((resid 33 and name HN )) 5.16 3.36 0.00 ! #SUP 5.48 assign ((resid 32 and name HD* )) ((resid 34 and name HN )) 5.50 3.70 0.00 ! #SUP 3.91 assign ((resid 32 and name HN )) ((resid 32 and name HB1 )) 3.51 1.71 0.00 ! #SUP 7.52 assign ((resid 32 and name HN )) ((resid 32 and name HD* )) 4.10 2.30 0.00 ! #SUP 6.79 assign ((resid 32 and name HN )) ((resid 33 and name HA2 )) 4.60 2.80 0.00 ! #SUP 3.59 assign ((resid 32 and name HN )) ((resid 33 and name HN )) 3.32 1.52 0.00 ! #SUP 7.44 assign ((resid 32 and name HN )) ((resid 34 and name HN )) 4.14 2.34 0.00 ! #SUP 5.25 assign (resid 32 and name HD#) (resid 31 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.60 assign (resid 32 and name HD#) (resid 31 and name HE#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.54 assign (resid 32 and name HD#) (resid 31 and name HG1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.62 assign (resid 32 and name HD#) (resid 31 and name HG2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.64 assign (resid 32 and name HD#) (resid 34 and name HE#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.50 assign (resid 32 and name HE#) (resid 31 and name HB1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.38 assign (resid 32 and name HE#) (resid 31 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.40 assign (resid 32 and name HE#) (resid 31 and name HD#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.39 assign (resid 32 and name HE#) (resid 31 and name HE#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.37 assign (resid 32 and name HE#) (resid 31 and name HG1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.41 assign (resid 32 and name HE#) (resid 31 and name HG2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.42 assign (resid 32 and name HZ) (resid 31 and name HB2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.59 assign (resid 32 and name HZ) (resid 31 and name HE#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.53 assign (resid 32 and name HZ) (resid 31 and name HG1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.61 assign (resid 32 and name HZ) (resid 31 and name HG2) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.63 assign ((resid 33 and name HN )) ((resid 34 and name HN )) 3.37 1.57 0.00 ! #SUP 7.46 !assign ((resid 34 and name HA )) ((resid 34 and name HD* )) 3.70 1.90 0.00 ! #SUP 6.61 !assign ((resid 34 and name HA )) ((resid 34 and name HG1 )) 4.24 2.44 0.00 ! #SUP 6.23 !assign ((resid 34 and name HA )) ((resid 34 and name HG2 )) 4.09 2.29 0.00 ! #SUP 6.64 assign ((resid 34 and name HA )) ((resid 35 and name HN )) 2.78 0.98 0.00 ! #SUP 6.63 assign ((resid 34 and name HB1 )) ((resid 35 and name HN )) 3.96 2.16 0.00 ! #SUP 5.97 assign ((resid 34 and name HB2 )) ((resid 35 and name HN )) 3.64 1.84 0.00 ! #SUP 5.91 assign ((resid 34 and name HD* )) ((resid 35 and name HN )) 4.23 2.43 0.00 ! #SUP 6.24 !assign ((resid 34 and name HG2 )) ((resid 34 and name HD* )) 2.63 0.83 0.00 ! #SUP 6.92 !assign ((resid 34 and name HG2 )) ((resid 34 and name HE* )) 3.87 2.07 0.00 ! #SUP 3.75 assign ((resid 34 and name HG2 )) ((resid 35 and name HN )) 4.45 2.65 0.00 ! #SUP 6.26 assign ((resid 34 and name HN )) ((resid 34 and name HB1 )) 3.27 1.47 0.00 ! #SUP 7.13 assign ((resid 34 and name HN )) ((resid 34 and name HD* )) 4.27 2.47 0.00 ! #SUP 7.44 !assign ((resid 34 and name HN )) ((resid 34 and name HG1 )) 3.80 2.00 0.00 ! #SUP 7.39 !assign ((resid 34 and name HN )) ((resid 34 and name HG2 )) 4.14 2.34 0.00 ! #SUP 7.52 assign ((resid 34 and name HN )) ((resid 35 and name HN )) 4.77 2.97 0.00 ! #SUP 6.06 assign ((resid 35 and name HN )) ((resid 35 and name HB* )) 2.99 1.19 0.00 ! #SUP 4.06 assign ((resid 35 and name HN )) ((resid 36 and name HG* )) 5.50 3.70 0.00 ! #SUP 3.03 !assign ((resid 35 and name HN )) ((resid 36 and name HN )) 4.69 2.89 0.00 ! #SUP 3.09 diagonal !assign ((resid 36 and name HA )) ((resid 36 and name HB1 )) 2.99 1.19 0.00 ! #SUP 4.28 !assign ((resid 36 and name HA )) ((resid 36 and name HG* )) 4.27 2.47 0.00 ! #SUP 4.97 assign ((resid 36 and name HA )) ((resid 37 and name HD2* )) 4.44 2.64 0.00 ! #SUP 2.78 assign ((resid 36 and name HA )) ((resid 37 and name HN )) 3.22 1.42 0.00 ! #SUP 5.31 !assign ((resid 36 and name HB2 )) ((resid 36 and name HE# )) 2.83 1.03 0.00 ! #SUP 2.68 assign ((resid 36 and name HB2 )) ((resid 37 and name HN )) 3.74 1.94 0.00 ! #SUP 4.90 !!assign ((resid 36 and name HG* )) ((resid 36 and name HE# )) 2.96 1.16 0.00 ! #SUP 2.68 assign ((resid 36 and name HG* )) ((resid 37 and name HN )) 4.60 2.80 0.00 ! #SUP 4.94 !assign ((resid 36 and name HN )) ((resid 36 and name HG* )) 3.75 1.95 0.00 ! #SUP 5.84 !assign ((resid 36 and name HN )) ((resid 37 and name HN )) 4.91 3.11 0.00 ! #SUP 4.70 diagonal assign (resid 36 and name HE# ) (resid 28 and name HE# ) 5.500 3.7 0.0 ! mhnoesy_final2.42 assign ((resid 37 and name HA )) ((resid 38 and name HN )) 2.97 1.17 0.00 ! #SUP 3.81 !assign ((resid 37 and name HB1 )) ((resid 37 and name HD2* )) 4.04 2.24 0.00 ! #SUP 2.91 assign ((resid 37 and name HB1 )) ((resid 38 and name HN )) 4.13 2.33 0.00 ! #SUP 4.24 assign ((resid 37 and name HB2 )) ((resid 38 and name HN )) 3.90 2.10 0.00 ! #SUP 3.81 assign ((resid 37 and name HN )) ((resid 37 and name HB1 )) 3.30 1.50 0.00 ! #SUP 5.69 !assign ((resid 37 and name HN )) ((resid 37 and name HD2* )) 5.08 3.28 0.00 ! #SUP 3.59 !assign ((resid 37 and name HN )) ((resid 38 and name HN )) 4.77 2.97 0.00 ! #SUP 4.03 diagonal assign ((resid 38 and name HA )) ((resid 39 and name HA )) 4.40 2.60 0.00 ! #SUP 6.30 assign ((resid 38 and name HA )) ((resid 39 and name HD1 )) 3.39 1.59 0.00 ! #SUP 8.56 assign ((resid 38 and name HA )) ((resid 39 and name HD2 )) 3.61 1.81 0.00 ! #SUP 8.24 assign ((resid 38 and name HA )) ((resid 39 and name HG1 )) 4.63 2.83 0.00 ! #SUP 6.22 assign ((resid 38 and name HA )) ((resid 39 and name HG2 )) 4.79 2.99 0.00 ! #SUP 6.91 assign ((resid 38 and name HG1 )) ((resid 39 and name HD1 )) 4.53 2.73 0.00 ! #SUP 7.27 assign ((resid 38 and name HG1 )) ((resid 39 and name HD2 )) 5.35 3.55 0.00 ! #SUP 7.04 assign ((resid 38 and name HG1 )) ((resid 39 and name HG2 )) 4.97 3.17 0.00 ! #SUP 5.65 !assign ((resid 38 and name HG2 )) ((resid 38 and name HE# )) 4.06 2.26 0.00 ! #SUP 2.91 assign ((resid 38 and name HG2 )) ((resid 39 and name HD1 )) 4.87 3.07 0.00 ! #SUP 5.54 assign ((resid 38 and name HN )) ((resid 38 and name HB1 )) 3.60 1.80 0.00 ! #SUP 5.83 assign ((resid 38 and name HN )) ((resid 38 and name HB2 )) 3.45 1.65 0.00 ! #SUP 5.35 !assign ((resid 38 and name HN )) ((resid 38 and name HG1 )) 4.54 2.74 0.00 ! #SUP 6.88 assign ((resid 38 and name HN )) ((resid 39 and name HD1 )) 5.22 3.42 0.00 ! #SUP 5.65 assign ((resid 38 and name HN )) ((resid 39 and name HD2 )) 4.94 3.14 0.00 ! #SUP 5.65 assign (resid 38 and name HE# ) (resid 18 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.46 assign (resid 38 and name HE# ) (resid 18 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.45 assign (resid 38 and name HE# ) (resid 52 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.43 assign (resid 38 and name HE# ) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.44 assign ((resid 39 and name HA )) ((resid 40 and name HN )) 2.86 1.06 0.00 ! #SUP 4.79 assign ((resid 39 and name HB1 )) ((resid 40 and name HN )) 4.05 2.25 0.00 ! #SUP 5.06 assign ((resid 39 and name HB2 )) ((resid 40 and name HN )) 3.89 2.09 0.00 ! #SUP 5.14 !assign ((resid 40 and name HA )) ((resid 40 and name HG2 )) 3.96 2.16 0.00 ! #SUP 5.61 assign ((resid 40 and name HA )) ((resid 41 and name HA1 )) 5.11 3.31 0.00 ! #SUP 4.31 assign ((resid 40 and name HA )) ((resid 41 and name HA2 )) 4.83 3.03 0.00 ! #SUP 5.56 assign ((resid 40 and name HA )) ((resid 41 and name HN )) 3.64 1.84 0.00 ! #SUP 8.00 !assign ((resid 40 and name HA )) ((resid 42 and name HN )) 4.63 2.83 0.00 ! #SUP 3.20 assign ((resid 40 and name HB1 )) ((resid 41 and name HN )) 4.82 3.02 0.00 ! #SUP 5.62 assign ((resid 40 and name HB2 )) ((resid 41 and name HN )) 4.53 2.73 0.00 ! #SUP 5.62 assign ((resid 40 and name HG1 )) ((resid 41 and name HA2 )) 5.45 3.65 0.00 ! #SUP 3.66 assign ((resid 40 and name HG1 )) ((resid 41 and name HN )) 4.98 3.18 0.00 ! #SUP 5.72 assign ((resid 40 and name HG1 )) ((resid 55 and name HA )) 4.31 2.51 0.00 ! #SUP 2.53 assign ((resid 40 and name HG1 )) ((resid 56 and name HN )) 5.31 3.51 0.00 ! #SUP 3.33 assign ((resid 40 and name HG2 )) ((resid 41 and name HN )) 4.92 3.12 0.00 ! #SUP 5.59 assign ((resid 40 and name HG2 )) ((resid 55 and name HA )) 3.95 2.15 0.00 ! #SUP 3.73 assign ((resid 40 and name HG2 )) ((resid 55 and name HD2 )) 5.08 3.28 0.00 ! #SUP 1.65 assign ((resid 40 and name HG2 )) ((resid 56 and name HN )) 4.81 3.01 0.00 ! #SUP 4.50 assign ((resid 40 and name HN )) ((resid 40 and name HB1 )) 3.49 1.69 0.00 ! #SUP 5.69 assign ((resid 40 and name HN )) ((resid 40 and name HB2 )) 3.30 1.50 0.00 ! #SUP 5.68 !assign ((resid 40 and name HN )) ((resid 40 and name HG2 )) 4.69 2.89 0.00 ! #SUP 5.82 assign ((resid 40 and name HN )) ((resid 41 and name HN )) 4.67 2.87 0.00 ! #SUP 4.96 assign ((resid 41 and name HA1 )) ((resid 53 and name HD1* )) 4.42 2.62 0.00 ! #SUP 3.84 assign ((resid 41 and name HA1 )) ((resid 53 and name HG11 )) 5.05 3.25 0.00 ! #SUP 4.12 assign ((resid 41 and name HA2 )) ((resid 42 and name HG2 )) 5.50 3.70 0.00 ! #SUP 3.90 assign ((resid 41 and name HA2 )) ((resid 53 and name HD1* )) 4.45 2.65 0.00 ! #SUP 4.95 assign ((resid 41 and name HA2 )) ((resid 53 and name HG11 )) 5.37 3.57 0.00 ! #SUP 5.82 assign ((resid 41 and name HA2 )) ((resid 53 and name HG12 )) 5.46 3.66 0.00 ! #SUP 4.00 assign ((resid 41 and name HN )) ((resid 42 and name HN )) 4.17 2.37 0.00 ! #SUP 4.68 assign ((resid 41 and name HN )) ((resid 53 and name HD1* )) 5.20 3.40 0.00 ! #SUP 5.90 assign ((resid 41 and name HN )) ((resid 53 and name HG11 )) 5.50 3.70 0.00 ! #SUP 6.26 assign ((resid 41 and name HN )) ((resid 53 and name HG12 )) 5.50 3.70 0.00 ! #SUP 4.93 !assign ((resid 41 and name HN )) ((resid 54 and name HN )) 5.50 3.70 0.00 ! #SUP 3.93 diagonal !assign ((resid 42 and name HA )) ((resid 42 and name HD* )) 4.24 2.44 0.00 ! #SUP 6.50 !assign ((resid 42 and name HA )) ((resid 42 and name HE* )) 4.38 2.58 0.00 ! #SUP 6.65 !assign ((resid 42 and name HA )) ((resid 42 and name HG1 )) 4.04 2.24 0.00 ! #SUP 7.22 !assign ((resid 42 and name HA )) ((resid 42 and name HG2 )) 3.87 2.07 0.00 ! #SUP 8.30 assign ((resid 42 and name HA )) ((resid 43 and name HG1* )) 4.35 2.55 0.00 ! #SUP 5.18 assign ((resid 42 and name HA )) ((resid 43 and name HN )) 3.29 1.49 0.00 ! #SUP 7.68 assign ((resid 42 and name HE* )) ((resid 43 and name HN )) 5.19 3.39 0.00 ! #SUP 5.28 assign ((resid 42 and name HG1 )) ((resid 42 and name HE* )) 4.00 2.20 0.00 ! #SUP 5.09 !assign ((resid 42 and name HG2 )) ((resid 42 and name HE* )) 3.71 1.91 0.00 ! #SUP 5.99 assign ((resid 42 and name HG2 )) ((resid 43 and name HN )) 5.20 3.40 0.00 ! #SUP 6.47 assign ((resid 42 and name HN )) ((resid 42 and name HG1 )) 5.50 3.70 0.00 ! #SUP 5.84 !assign ((resid 42 and name HN )) ((resid 42 and name HG2 )) 5.06 3.26 0.00 ! #SUP 7.39 assign ((resid 42 and name HN )) ((resid 43 and name HN )) 5.14 3.34 0.00 ! #SUP 5.12 assign ((resid 42 and name HN )) ((resid 53 and name HA )) 5.35 3.55 0.00 ! #SUP 3.84 assign ((resid 42 and name HN )) ((resid 53 and name HD1* )) 4.88 3.08 0.00 ! #SUP 7.66 assign ((resid 42 and name HN )) ((resid 53 and name HG11 )) 5.13 3.33 0.00 ! #SUP 8.19 assign ((resid 42 and name HN )) ((resid 53 and name HG12 )) 4.82 3.02 0.00 ! #SUP 6.53 assign ((resid 42 and name HN )) ((resid 54 and name HN )) 5.36 3.56 0.00 ! #SUP 4.84 !assign ((resid 43 and name HA )) ((resid 43 and name HG2* )) 3.74 1.94 0.00 ! #SUP 4.70 assign ((resid 43 and name HA )) ((resid 44 and name HN )) 3.59 1.79 0.00 ! #SUP 4.22 assign ((resid 43 and name HA )) ((resid 52 and name HN )) 5.27 3.47 0.00 ! #SUP 3.87 assign ((resid 43 and name HA )) ((resid 53 and name HA )) 3.61 1.81 0.00 ! #SUP 4.52 assign ((resid 43 and name HA )) ((resid 53 and name HB )) 4.12 2.32 0.00 ! #SUP 4.58 assign ((resid 43 and name HA )) ((resid 53 and name HG11 )) 5.38 3.58 0.00 ! #SUP 2.78 assign ((resid 43 and name HG1* )) ((resid 44 and name HN )) 4.70 2.90 0.00 ! #SUP 4.69 assign ((resid 43 and name HG2* )) ((resid 44 and name HB2 )) 5.39 3.59 0.00 ! #SUP 4.52 assign ((resid 43 and name HG2* )) ((resid 44 and name HN )) 4.34 2.54 0.00 ! #SUP 6.78 assign ((resid 43 and name HG2* )) ((resid 45 and name HN )) 5.50 3.70 0.00 ! #SUP 2.65 assign ((resid 43 and name HG2* )) ((resid 51 and name HA )) 5.37 3.57 0.00 ! #SUP 3.86 assign ((resid 43 and name HG2* )) ((resid 51 and name HN )) 5.50 3.70 0.00 ! #SUP 2.13 assign ((resid 43 and name HG2* )) ((resid 52 and name HN )) 5.24 3.44 0.00 ! #SUP 6.18 assign ((resid 43 and name HN )) ((resid 43 and name HB )) 3.48 1.68 0.00 ! #SUP 4.98 !assign ((resid 43 and name HN )) ((resid 43 and name HG1* )) 3.91 2.11 0.00 ! #SUP 6.47 assign ((resid 43 and name HN )) ((resid 53 and name HA )) 5.50 3.70 0.00 ! added manually !assign ((resid 43 and name HN )) ((resid 53 and name HB )) 5.50 3.70 0.00 ! #SUP 4.70 assign ((resid 44 and name HA )) ((resid 45 and name HN )) 3.13 1.33 0.00 ! #SUP 4.86 assign ((resid 44 and name HA )) ((resid 52 and name HN )) 5.50 3.70 0.00 ! #SUP 3.50 assign ((resid 44 and name HB1 )) ((resid 45 and name HN )) 4.30 2.50 0.00 ! #SUP 6.15 assign ((resid 44 and name HB1 )) ((resid 52 and name HD1* )) 5.06 3.26 0.00 ! #SUP 2.14 assign ((resid 44 and name HG* )) ((resid 45 and name HN )) 4.29 2.49 0.00 ! #SUP 5.19 assign ((resid 44 and name HG* )) ((resid 52 and name HN )) 5.50 3.70 0.00 ! #SUP 3.50 assign ((resid 44 and name HN )) ((resid 44 and name HB2 )) 4.08 2.28 0.00 ! #SUP 5.33 !assign ((resid 44 and name HN )) ((resid 44 and name HG* )) 4.26 2.46 0.00 ! #SUP 5.67 assign ((resid 44 and name HN )) ((resid 45 and name HN )) 5.43 3.63 0.00 ! #SUP 5.48 assign ((resid 44 and name HN )) ((resid 51 and name HA )) 5.50 3.70 0.00 ! #SUP 4.57 assign ((resid 44 and name HN )) ((resid 52 and name HD1* )) 5.50 3.70 0.00 ! #SUP 4.88 assign ((resid 44 and name HN )) ((resid 52 and name HG12 )) 5.14 3.34 0.00 ! #SUP 6.62 assign ((resid 44 and name HN )) ((resid 52 and name HN )) 4.71 2.91 0.00 ! #SUP 10.00 assign ((resid 44 and name HN )) ((resid 53 and name HA )) 4.89 3.09 0.00 ! #SUP 5.22 assign (resid 44 and name HE# ) (resid 12 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.60 assign (resid 44 and name HE# ) (resid 12 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.59 assign (resid 44 and name HE# ) (resid 18 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.57 assign (resid 44 and name HE# ) (resid 59 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.61 assign ((resid 45 and name HA )) ((resid 46 and name HN )) 3.35 1.55 0.00 ! #SUP 5.25 assign ((resid 45 and name HA )) ((resid 51 and name HN )) 5.32 3.52 0.00 ! #SUP 2.48 assign ((resid 45 and name HA )) ((resid 52 and name HN )) 4.72 2.92 0.00 ! #SUP 3.77 assign ((resid 45 and name HB1 )) ((resid 46 and name HN )) 4.54 2.74 0.00 ! #SUP 5.27 assign ((resid 45 and name HB2 )) ((resid 46 and name HN )) 4.47 2.67 0.00 ! #SUP 5.25 assign ((resid 45 and name HG1 )) ((resid 46 and name HN )) 5.09 3.29 0.00 ! #SUP 5.27 assign ((resid 45 and name HG2 )) ((resid 46 and name HN )) 4.83 3.03 0.00 ! #SUP 4.68 assign ((resid 45 and name HG2 )) ((resid 49 and name HN )) 5.50 3.70 0.00 ! #SUP 1.22 assign ((resid 45 and name HG2 )) ((resid 51 and name HE* )) 4.28 2.48 0.00 ! #SUP 0.75 assign ((resid 45 and name HG2 )) ((resid 51 and name HG1 )) 4.85 3.05 0.00 ! #SUP 2.00 assign ((resid 45 and name HN )) ((resid 45 and name HB1 )) 3.38 1.58 0.00 ! #SUP 5.63 assign ((resid 45 and name HN )) ((resid 45 and name HB2 )) 3.84 2.04 0.00 ! #SUP 5.49 !assign ((resid 45 and name HN )) ((resid 45 and name HG1 )) 4.18 2.38 0.00 ! #SUP 5.49 assign ((resid 45 and name HN )) ((resid 51 and name HA )) 5.47 3.67 0.00 ! #SUP 3.62 !assign ((resid 46 and name HA )) ((resid 46 and name HB )) 2.40 0.60 0.00 ! #SUP 2.21 !assign ((resid 46 and name HA )) ((resid 46 and name HG2* )) 4.06 2.26 0.00 ! #SUP 3.31 assign ((resid 46 and name HA )) ((resid 47 and name HG* )) 4.26 2.46 0.00 ! #SUP 4.29 assign ((resid 46 and name HA )) ((resid 48 and name HN )) 4.59 2.79 0.00 ! #SUP 4.70 assign ((resid 46 and name HB )) ((resid 47 and name HN )) 3.78 1.98 0.00 ! #SUP 4.51 assign ((resid 46 and name HB )) ((resid 48 and name HN )) 3.88 2.08 0.00 ! #SUP 5.14 assign ((resid 46 and name HB )) ((resid 49 and name HN )) 4.98 3.18 0.00 ! #SUP 4.41 assign ((resid 46 and name HG2* )) ((resid 47 and name HN )) 4.59 2.79 0.00 ! #SUP 4.85 assign ((resid 46 and name HG2* )) ((resid 48 and name HN )) 4.74 2.94 0.00 ! #SUP 5.14 assign ((resid 46 and name HG2* )) ((resid 49 and name HN )) 5.50 3.70 0.00 ! #SUP 4.41 assign ((resid 46 and name HG2* )) ((resid 51 and name HA )) 4.68 2.88 0.00 ! #SUP 3.61 !assign ((resid 46 and name HG2* )) ((resid 52 and name HD1* )) 4.35 2.55 0.00 ! #SUP 1.37 !assign ((resid 46 and name HN )) ((resid 46 and name HG2* )) 3.96 2.16 0.00 ! #SUP 3.40 !assign ((resid 46 and name HN )) ((resid 49 and name HN )) 5.50 3.70 0.00 ! #SUP 5.94 assign ((resid 46 and name HN )) ((resid 50 and name HN )) 4.48 2.68 0.00 ! #SUP 4.98 assign ((resid 46 and name HN )) ((resid 51 and name HA )) 4.22 2.42 0.00 ! #SUP 4.63 assign ((resid 46 and name HN )) ((resid 51 and name HG1 )) 5.50 3.70 0.00 ! #SUP 3.13 assign (resid 46 and name HG2#) (resid 12 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.99 assign (resid 46 and name HG2#) (resid 12 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.97 assign (resid 46 and name HG2#) (resid 52 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.98 !assign ((resid 47 and name HA )) ((resid 47 and name HD* )) 4.06 2.26 0.00 ! #SUP 4.47 !assign ((resid 47 and name HA )) ((resid 47 and name HG* )) 3.38 1.58 0.00 ! #SUP 5.47 !assign ((resid 47 and name HB1 )) ((resid 47 and name HD* )) 3.49 1.69 0.00 ! #SUP 4.43 !assign ((resid 47 and name HB1 )) ((resid 47 and name HG* )) 2.73 0.93 0.00 ! #SUP 5.43 assign ((resid 47 and name HB1 )) ((resid 48 and name HN )) 4.10 2.30 0.00 ! #SUP 6.39 !assign ((resid 47 and name HB2 )) ((resid 47 and name HD* )) 3.80 2.00 0.00 ! #SUP 5.06 assign ((resid 47 and name HB2 )) ((resid 47 and name HG* )) 2.88 1.08 0.00 ! #SUP 6.08 assign ((resid 47 and name HB2 )) ((resid 48 and name HB2 )) 4.47 2.67 0.00 ! #SUP 4.30 assign ((resid 47 and name HB2 )) ((resid 48 and name HN )) 4.32 2.52 0.00 ! #SUP 7.70 assign ((resid 47 and name HG* )) ((resid 48 and name HN )) 4.60 2.80 0.00 ! #SUP 6.89 assign ((resid 47 and name HN )) ((resid 47 and name HB1 )) 3.97 2.17 0.00 ! #SUP 6.35 assign ((resid 47 and name HN )) ((resid 47 and name HB2 )) 3.91 2.11 0.00 ! #SUP 7.25 !assign ((resid 47 and name HN )) ((resid 47 and name HD* )) 5.29 3.49 0.00 ! #SUP 5.64 !assign ((resid 47 and name HN )) ((resid 47 and name HG* )) 4.19 2.39 0.00 ! #SUP 6.92 assign ((resid 47 and name HN )) ((resid 48 and name HN )) 4.03 2.23 0.00 ! #SUP 9.85 !assign ((resid 47 and name HN )) ((resid 49 and name HN )) 5.50 3.70 0.00 ! #SUP 6.74 peak ? !assign ((resid 47 and name HN )) ((resid 50 and name HN )) 5.50 3.70 0.00 ! #SUP 3.95 peak ? assign ((resid 48 and name HA )) ((resid 50 and name HN )) 5.20 3.40 0.00 ! #SUP 3.33 assign ((resid 48 and name HB1 )) ((resid 49 and name HN )) 5.18 3.38 0.00 ! #SUP 4.28 assign ((resid 48 and name HB2 )) ((resid 49 and name HN )) 5.22 3.42 0.00 ! #SUP 4.27 assign ((resid 48 and name HN )) ((resid 48 and name HB2 )) 4.04 2.24 0.00 ! #SUP 5.90 assign ((resid 48 and name HN )) ((resid 49 and name HA2 )) 5.14 3.34 0.00 ! #SUP 3.82 assign ((resid 48 and name HN )) ((resid 49 and name HN )) 3.79 1.99 0.00 ! #SUP 7.78 assign ((resid 48 and name HN )) ((resid 50 and name HN )) 4.52 2.72 0.00 ! #SUP 4.76 assign ((resid 49 and name HN )) ((resid 50 and name HA )) 5.00 3.20 0.00 ! #SUP 3.14 assign ((resid 49 and name HN )) ((resid 50 and name HG2* )) 5.48 3.68 0.00 ! #SUP 3.14 !assign ((resid 49 and name HN )) ((resid 50 and name HN )) 3.66 1.86 0.00 ! #SUP 6.29 diagonal !assign ((resid 50 and name HA )) ((resid 50 and name HG2* )) 3.66 1.86 0.00 ! #SUP 4.00 assign ((resid 50 and name HB )) ((resid 51 and name HN )) 4.47 2.67 0.00 ! #SUP 5.88 assign ((resid 50 and name HG2* )) ((resid 51 and name HN )) 4.12 2.32 0.00 ! #SUP 5.88 !assign ((resid 50 and name HG2* )) ((resid 61 and name HD1 )) 4.61 2.81 0.00 ! #SUP 1.50 !assign ((resid 50 and name HG2* )) ((resid 61 and name HD2 )) 4.67 2.87 0.00 ! #SUP 1.50 !assign ((resid 50 and name HG2* )) ((resid 61 and name HG2 )) 5.50 3.70 0.00 ! #SUP 1.50 assign ((resid 50 and name HN )) ((resid 50 and name HB )) 3.84 2.04 0.00 ! #SUP 4.15 !assign ((resid 50 and name HN )) ((resid 50 and name HG2* )) 3.94 2.14 0.00 ! #SUP 4.62 assign ((resid 50 and name HN )) ((resid 51 and name HN )) 5.13 3.33 0.00 ! #SUP 4.80 assign (resid 50 and name HG2#) (resid 46 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.70 assign ((resid 51 and name HG1 )) ((resid 52 and name HN )) 5.50 3.70 0.00 ! #SUP 6.54 assign ((resid 51 and name HG2 )) ((resid 52 and name HN )) 5.46 3.66 0.00 ! #SUP 6.54 assign ((resid 51 and name HN )) ((resid 51 and name HB1 )) 3.89 2.09 0.00 ! #SUP 6.61 !assign ((resid 51 and name HN )) ((resid 51 and name HE* )) 5.50 3.70 0.00 ! #SUP 4.96 !assign ((resid 51 and name HN )) ((resid 51 and name HG1 )) 4.94 3.14 0.00 ! #SUP 7.43 !assign ((resid 51 and name HN )) ((resid 51 and name HG2 )) 4.82 3.02 0.00 ! #SUP 7.43 assign ((resid 51 and name HN )) ((resid 52 and name HN )) 5.50 3.70 0.00 ! #SUP 7.68 !assign ((resid 52 and name HA )) ((resid 52 and name HD1* )) 4.87 3.07 0.00 ! #SUP 6.53 assign ((resid 52 and name HA )) ((resid 53 and name HG2* )) 5.08 3.28 0.00 ! #SUP 4.05 assign ((resid 52 and name HA )) ((resid 60 and name HE# )) 4.44 2.64 0.00 ! #SUP 3.00 assign ((resid 52 and name HA )) ((resid 60 and name HN )) 5.50 3.70 0.00 ! #SUP 4.00 assign ((resid 52 and name HA )) ((resid 61 and name HN )) 5.50 3.70 0.00 ! #SUP 3.06 assign ((resid 52 and name HA )) ((resid 62 and name HN )) 5.00 3.20 0.00 ! by hand !assign ((resid 52 and name HB )) ((resid 52 and name HD1* )) 4.06 2.26 0.00 ! #SUP 5.98 assign ((resid 52 and name HB )) ((resid 53 and name HN )) 3.82 2.02 0.00 ! #SUP 6.11 assign ((resid 52 and name HB )) ((resid 59 and name HG12 )) 5.24 3.44 0.00 ! #SUP 1.81 assign ((resid 52 and name HB )) ((resid 59 and name HG2* )) 3.96 2.16 0.00 ! #SUP 1.76 !assign ((resid 52 and name HB )) ((resid 60 and name HN )) 5.50 3.70 0.00 ! #SUP 5.36 assign ((resid 52 and name HD1* )) ((resid 53 and name HN )) 5.32 3.52 0.00 ! #SUP 6.03 assign ((resid 52 and name HG12 )) ((resid 53 and name HN )) 5.12 3.32 0.00 ! #SUP 6.24 !assign ((resid 52 and name HN )) ((resid 52 and name HD1* )) 5.13 3.33 0.00 ! #SUP 7.04 assign ((resid 52 and name HN )) ((resid 60 and name HE# )) 5.50 3.70 0.00 ! #SUP 3.17 assign ((resid 52 and name HN )) ((resid 60 and name HZ )) 5.50 3.70 0.00 ! #SUP 0.75 assign (resid 52 and name HD1#) (resid 12 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.15 assign (resid 52 and name HD1#) (resid 12 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.13 assign (resid 52 and name HD1#) (resid 18 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.11 assign (resid 52 and name HD1#) (resid 18 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.10 assign (resid 52 and name HD1#) (resid 44 and name HE#) 7.000 5.2 0.0 ! mhnoesy_final2.9 assign (resid 52 and name HD1#) (resid 46 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.12 assign (resid 52 and name HD1#) (resid 52 and name HG1#) 5.500 3.7 0.0 ! mhnoesy_final2.14 assign (resid 52 and name HD1#) (resid 52 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.7 assign (resid 52 and name HD1#) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.6 assign (resid 52 and name HG2#) (resid 46 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.32 assign (resid 52 and name HG2#) (resid 50 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.31 assign (resid 52 and name HG2#) (resid 52 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.34 assign (resid 52 and name HG2#) (resid 59 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.30 !assign ((resid 53 and name HA )) ((resid 53 and name HG12 )) 3.85 2.05 0.00 ! #SUP 4.99 assign ((resid 53 and name HA )) ((resid 60 and name HE# )) 5.34 3.54 0.00 ! #SUP 0.84 assign ((resid 53 and name HB )) ((resid 54 and name HN )) 4.86 3.06 0.00 ! #SUP 5.67 assign ((resid 53 and name HD1* )) ((resid 55 and name HB1 )) 4.62 2.82 0.00 ! #SUP 4.67 assign ((resid 53 and name HD1* )) ((resid 55 and name HB2 )) 4.58 2.78 0.00 ! #SUP 4.68 assign ((resid 53 and name HD1* )) ((resid 55 and name HD1 )) 5.17 3.37 0.00 ! #SUP 5.23 assign ((resid 53 and name HD1* )) ((resid 55 and name HD2 )) 5.50 3.70 0.00 ! #SUP 4.17 assign ((resid 53 and name HD1* )) ((resid 55 and name HG* )) 4.38 2.58 0.00 ! #SUP 4.68 assign ((resid 53 and name HD1* )) ((resid 56 and name HN )) 5.50 3.70 0.00 ! #SUP 5.30 assign ((resid 53 and name HG11 )) ((resid 54 and name HN )) 4.82 3.02 0.00 ! #SUP 5.64 assign ((resid 53 and name HG12 )) ((resid 54 and name HN )) 4.74 2.94 0.00 ! #SUP 5.77 assign ((resid 53 and name HG2* )) ((resid 60 and name HB1 )) 4.26 2.46 0.00 ! #SUP 4.22 assign ((resid 53 and name HG2* )) ((resid 60 and name HB2 )) 3.97 2.17 0.00 ! #SUP 3.99 assign ((resid 53 and name HG2* )) ((resid 61 and name HN )) 5.50 3.70 0.00 ! #SUP 3.25 !assign ((resid 53 and name HN )) ((resid 53 and name HG2* )) 4.20 2.40 0.00 ! #SUP 4.92 assign ((resid 53 and name HN )) ((resid 59 and name HA )) 5.50 3.70 0.00 ! #SUP 3.74 assign ((resid 53 and name HN )) ((resid 60 and name HB1 )) 5.18 3.38 0.00 ! #SUP 4.28 assign ((resid 53 and name HN )) ((resid 60 and name HB2 )) 5.04 3.24 0.00 ! #SUP 4.73 assign ((resid 53 and name HN )) ((resid 60 and name HD# )) 4.70 2.90 0.00 ! #SUP 3.18 assign ((resid 53 and name HN )) ((resid 60 and name HN )) 4.82 3.02 0.00 ! #SUP 6.61 assign (resid 53 and name HD1#) (resid 43 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.18 assign (resid 53 and name HD1#) (resid 53 and name HG1#) 5.500 3.7 0.0 ! mhnoesy_final2.19 assign (resid 53 and name HD1#) (resid 53 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.17 assign (resid 53 and name HG2#) (resid 43 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.24 assign (resid 53 and name HG2#) (resid 43 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.23 assign (resid 53 and name HG2#) (resid 52 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.21 assign (resid 53 and name HG2#) (resid 53 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.26 assign (resid 53 and name HG2#) (resid 59 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.22 assign (resid 53 and name HG2#) (resid 62 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.25 assign ((resid 54 and name HA )) ((resid 55 and name HN )) 3.61 1.81 0.00 ! #SUP 4.60 assign ((resid 54 and name HA )) ((resid 58 and name HB* )) 4.66 2.86 0.00 ! #SUP 1.93 assign ((resid 54 and name HA )) ((resid 58 and name HN )) 5.00 3.20 0.00 ! #SUP 4.37 assign ((resid 54 and name HA )) ((resid 59 and name HA )) 3.93 2.13 0.00 ! #SUP 4.87 assign ((resid 54 and name HA )) ((resid 59 and name HD1* )) 4.42 2.62 0.00 ! #SUP 7.40 assign ((resid 54 and name HB2 )) ((resid 55 and name HN )) 5.50 3.70 0.00 ! #SUP 4.85 assign ((resid 54 and name HB2 )) ((resid 59 and name HD1* )) 4.98 3.18 0.00 ! #SUP 3.00 assign ((resid 54 and name HG2 )) ((resid 57 and name HN )) 5.50 3.70 0.00 ! #SUP 3.98 assign ((resid 54 and name HG2 )) ((resid 58 and name HN )) 5.13 3.33 0.00 ! #SUP 5.40 assign ((resid 54 and name HG2 )) ((resid 59 and name HA )) 4.47 2.67 0.00 ! #SUP 3.04 assign ((resid 54 and name HG2 )) ((resid 59 and name HD1* )) 4.94 3.14 0.00 ! #SUP 5.02 assign ((resid 54 and name HN )) ((resid 54 and name HG1 )) 5.47 3.67 0.00 ! #SUP 4.46 !assign ((resid 55 and name HA )) ((resid 55 and name HD1 )) 4.46 2.66 0.00 ! #SUP 6.78 !assign ((resid 55 and name HA )) ((resid 55 and name HD2 )) 4.20 2.40 0.00 ! #SUP 6.78 !assign ((resid 55 and name HA )) ((resid 55 and name HE* )) 4.61 2.81 0.00 ! #SUP 6.89 !assign ((resid 55 and name HA )) ((resid 55 and name HG* )) 3.93 2.13 0.00 ! #SUP 8.31 assign ((resid 55 and name HA )) ((resid 56 and name HA1 )) 5.34 3.54 0.00 ! #SUP 5.50 assign ((resid 55 and name HA )) ((resid 56 and name HA2 )) 4.76 2.96 0.00 ! #SUP 5.02 !assign ((resid 55 and name HB1 )) ((resid 55 and name HE* )) 4.94 3.14 0.00 ! #SUP 6.22 assign ((resid 55 and name HB1 )) ((resid 56 and name HN )) 4.98 3.18 0.00 ! #SUP 7.42 !assign ((resid 55 and name HB2 )) ((resid 55 and name HE* )) 4.99 3.19 0.00 ! #SUP 6.21 assign ((resid 55 and name HB2 )) ((resid 56 and name HN )) 5.45 3.65 0.00 ! #SUP 7.42 assign ((resid 55 and name HD1 )) ((resid 56 and name HN )) 5.34 3.54 0.00 ! #SUP 6.86 assign ((resid 55 and name HD2 )) ((resid 56 and name HN )) 5.01 3.21 0.00 ! #SUP 6.81 !assign ((resid 55 and name HG* )) ((resid 55 and name HD1 )) 2.97 1.17 0.00 ! #SUP 6.50 !assign ((resid 55 and name HG* )) ((resid 55 and name HE* )) 3.60 1.80 0.00 ! #SUP 6.58 assign ((resid 55 and name HG* )) ((resid 56 and name HA1 )) 5.50 3.70 0.00 ! #SUP 4.33 assign ((resid 55 and name HG* )) ((resid 56 and name HN )) 4.49 2.69 0.00 ! #SUP 8.53 !assign ((resid 55 and name HN )) ((resid 55 and name HG* )) 5.22 3.42 0.00 ! #SUP 6.46 assign ((resid 55 and name HN )) ((resid 56 and name HN )) 5.50 3.70 0.00 ! #SUP 6.86 assign ((resid 55 and name HN )) ((resid 57 and name HN )) 5.50 3.70 0.00 ! #SUP 4.94 assign ((resid 55 and name HN )) ((resid 58 and name HN )) 4.33 2.53 0.00 ! #SUP 5.47 assign ((resid 55 and name HN )) ((resid 59 and name HD1* )) 5.50 3.70 0.00 ! #SUP 3.40 assign ((resid 56 and name HA2 )) ((resid 58 and name HN )) 4.86 3.06 0.00 ! #SUP 3.53 assign ((resid 56 and name HN )) ((resid 57 and name HN )) 4.51 2.71 0.00 ! #SUP 5.15 assign ((resid 56 and name HN )) ((resid 58 and name HN )) 5.50 3.70 0.00 ! #SUP 4.28 assign ((resid 57 and name HB1 )) ((resid 58 and name HN )) 4.88 3.08 0.00 ! #SUP 5.84 !assign ((resid 57 and name HB2 )) ((resid 57 and name HD2* )) 4.04 2.24 0.00 ! #SUP 3.44 assign ((resid 57 and name HB2 )) ((resid 58 and name HN )) 4.76 2.96 0.00 ! #SUP 5.84 assign ((resid 57 and name HD2* )) ((resid 58 and name HN )) 4.06 2.26 0.00 ! #SUP 5.11 !assign ((resid 57 and name HN )) ((resid 57 and name HD2* )) 5.50 3.70 0.00 ! #SUP 4.97 assign ((resid 57 and name HN )) ((resid 58 and name HB* )) 5.35 3.55 0.00 ! #SUP 4.33 assign ((resid 57 and name HN )) ((resid 58 and name HG2 )) 5.50 3.70 0.00 ! #SUP 4.89 assign ((resid 57 and name HN )) ((resid 58 and name HN )) 3.88 2.08 0.00 ! #SUP 8.91 !assign ((resid 58 and name HA )) ((resid 58 and name HG1 )) 3.46 1.66 0.00 ! #SUP 4.38 !assign ((resid 58 and name HA )) ((resid 58 and name HG2 )) 3.79 1.99 0.00 ! #SUP 5.07 assign ((resid 58 and name HA )) ((resid 59 and name HG2* )) 5.12 3.32 0.00 ! #SUP 4.03 assign ((resid 58 and name HA )) ((resid 59 and name HN )) 3.56 1.76 0.00 ! #SUP 5.75 assign ((resid 58 and name HB* )) ((resid 59 and name HN )) 4.49 2.69 0.00 ! #SUP 5.03 assign ((resid 58 and name HG2 )) ((resid 59 and name HN )) 5.34 3.54 0.00 ! #SUP 4.91 assign ((resid 58 and name HN )) ((resid 58 and name HB* )) 3.80 2.00 0.00 ! #SUP 6.18 !assign ((resid 58 and name HN )) ((resid 58 and name HG2 )) 4.45 2.65 0.00 ! #SUP 6.27 assign ((resid 58 and name HN )) ((resid 59 and name HN )) 5.46 3.66 0.00 ! #SUP 4.55 !assign ((resid 59 and name HA )) ((resid 59 and name HD1* )) 3.84 2.04 0.00 ! #SUP 3.82 !assign ((resid 59 and name HA )) ((resid 59 and name HG12 )) 4.19 2.39 0.00 ! #SUP 5.98 !assign ((resid 59 and name HB )) ((resid 59 and name HD1* )) 4.05 2.25 0.00 ! #SUP 4.37 assign ((resid 59 and name HB )) ((resid 60 and name HN )) 5.21 3.41 0.00 ! #SUP 5.45 assign ((resid 59 and name HG12 )) ((resid 60 and name HN )) 5.50 3.70 0.00 ! #SUP 5.46 assign ((resid 59 and name HN )) ((resid 59 and name HB )) 3.91 2.11 0.00 ! #SUP 6.56 !assign ((resid 59 and name HN )) ((resid 59 and name HG12 )) 4.85 3.05 0.00 ! #SUP 6.59 !assign ((resid 59 and name HN )) ((resid 59 and name HG2* )) 5.39 3.59 0.00 ! #SUP 6.88 assign ((resid 59 and name HN )) ((resid 60 and name HN )) 5.50 3.70 0.00 ! #SUP 4.49 assign (resid 59 and name HD1#) (resid 18 and name HG1#) 7.000 5.2 0.0 ! mhnoesy_final2.4 assign (resid 59 and name HD1#) (resid 44 and name HE#) 7.000 5.2 0.0 ! mhnoesy_final2.2 assign (resid 59 and name HD1#) (resid 52 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.0 assign (resid 59 and name HD1#) (resid 59 and name HG1#) 4.500 2.7 0.0 ! mhnoesy_final2.5 assign (resid 59 and name HG2#) (resid 52 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.36 assign (resid 59 and name HG2#) (resid 59 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.35 assign (resid 59 and name HG2#) (resid 59 and name HG1#) 5.500 3.7 0.0 ! mhnoesy_final2.38 !assign (resid 60 and name HE#) (resid 60 and name HB1) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.111 !assign (resid 60 and name HE#) (resid 60 and name HD#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.23 !assign (resid 60 and name HD#) (resid 60 and name HA) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.116 !assign (resid 60 and name HD#) (resid 60 and name HB1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.123 !assign (resid 60 and name HD#) (resid 60 and name HB2) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.124 !assign (resid 60 and name HD#) (resid 60 and name HN) 3.400 1.6 0.0 ! 2dnoesy_aromHN.28 !assign (resid 60 and name HZ ) (resid 60 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.75 !assign (resid 60 and name HZ ) (resid 60 and name HE#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.25 !assign (resid 60 and name HZ ) (resid 60 and name HD#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.26 !assign (resid 60 and name HE2) (resid 60 and name HE#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.31 !assign (resid 60 and name HE2) (resid 60 and name HD#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.32 assign ((resid 60 and name HA )) ((resid 62 and name HN )) 5.50 3.70 0.00 ! #SUP 5.14 assign ((resid 60 and name HA )) ((resid 63 and name HB1 )) 5.37 3.57 0.00 ! #SUP 2.31 !assign ((resid 60 and name HA )) ((resid 63 and name HN )) 4.89 3.09 0.00 ! #SUP 4.28 ??? assign ((resid 60 and name HB1 )) ((resid 61 and name HN )) 4.57 2.77 0.00 ! #SUP 3.96 assign ((resid 60 and name HB1 )) ((resid 63 and name HB2 )) 3.80 2.00 0.00 ! #SUP 0.53 !assign ((resid 60 and name HD# )) ((resid 61 and name HN )) 4.77 2.97 0.00 ! #SUP 4.71 assign ((resid 60 and name HD# )) ((resid 62 and name HN )) 4.71 2.91 0.00 ! #SUP 5.41 assign ((resid 60 and name HD# )) ((resid 63 and name HN )) 5.43 3.63 0.00 ! #SUP 3.22 assign ((resid 60 and name HZ )) ((resid 62 and name HN )) 5.50 3.70 0.00 ! #SUP 2.26 assign (resid 60 and name HE#) (resid 43 and name HG2#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.96 assign (resid 60 and name HE#) (resid 51 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.74 assign (resid 60 and name HE#) (resid 52 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.73 assign (resid 60 and name HE#) (resid 53 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.104 assign (resid 60 and name HE#) (resid 53 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.106 !assign (resid 60 and name HE#) (resid 60 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.76 assign (resid 60 and name HE#) (resid 62 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.81 assign (resid 60 and name HE#) (resid 62 and name HD2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.102 assign (resid 60 and name HD#) (resid 43 and name HG1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.134 assign (resid 60 and name HD#) (resid 43 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.132 assign (resid 60 and name HD#) (resid 52 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.112 assign (resid 60 and name HD#) (resid 52 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.139 assign (resid 60 and name HD#) (resid 53 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.140 assign (resid 60 and name HD#) (resid 53 and name HG2#) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.141 assign (resid 60 and name HD#) (resid 53 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.25 assign (resid 60 and name HD#) (resid 54 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.115 assign (resid 60 and name HD#) (resid 59 and name HA) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.117 assign (resid 60 and name HD#) (resid 61 and name HN) 5.000 3.2 0.0 ! 2dnoesy_aromHN.29 assign (resid 60 and name HD#) (resid 62 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.122 assign (resid 60 and name HD#) (resid 62 and name HD2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.135 assign (resid 60 and name HZ ) (resid 43 and name HG1#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.99 assign (resid 60 and name HZ ) (resid 43 and name HG2#) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.95 assign (resid 60 and name HZ ) (resid 51 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.72 assign (resid 60 and name HZ ) (resid 51 and name HE#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.82 assign (resid 60 and name HZ ) (resid 53 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.103 assign (resid 60 and name HZ ) (resid 53 and name HG2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.105 assign (resid 60 and name HZ ) (resid 61 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.71 assign (resid 60 and name HZ ) (resid 62 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.80 assign (resid 60 and name HZ ) (resid 62 and name HD1#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.100 assign (resid 60 and name HZ ) (resid 62 and name HD2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.101 !assign ((resid 61 and name HA )) ((resid 62 and name HA )) 5.45 3.65 0.00 ! #SUP 4.76 assign ((resid 61 and name HB* )) ((resid 62 and name HD2* )) 4.15 2.35 0.00 ! #SUP 4.49 assign ((resid 61 and name HB* )) ((resid 63 and name HN )) 5.42 3.62 0.00 ! #SUP 4.21 assign ((resid 61 and name HG2 )) ((resid 62 and name HN )) 4.65 2.85 0.00 ! #SUP 6.35 !assign ((resid 61 and name HN )) ((resid 62 and name HA )) 5.27 3.47 0.00 ! #SUP 7.12 assign ((resid 61 and name HN )) ((resid 62 and name HN )) 5.50 3.70 0.00 ! #SUP 9.71 assign ((resid 61 and name HN )) ((resid 63 and name HB1 )) 5.32 3.52 0.00 ! #SUP 4.84 assign ((resid 61 and name HN )) ((resid 63 and name HN )) 4.89 3.09 0.00 ! #SUP 8.25 assign ((resid 61 and name HN )) ((resid 64 and name HN )) 5.50 3.70 0.00 ! #SUP 8.25 !assign (resid 62 and name HD2#) (resid 62 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.130 !assign (resid 62 and name HD2#) (resid 62 and name HG) 7.000 5.2 0.0 ! mhnoesy_final2.131 !assign (resid 62 and name HD2#) (resid 65 and name HB#) 7.000 5.2 0.0 ! mhnoesy_final2.128 !assign ((resid 62 and name HA )) ((resid 62 and name HD1* )) 4.47 2.67 0.00 ! #SUP 7.56 !assign ((resid 62 and name HA )) ((resid 62 and name HD2* )) 3.87 2.07 0.00 ! #SUP 7.39 !assign ((resid 62 and name HA )) ((resid 63 and name HB1 )) 4.84 3.04 0.00 ! #SUP 5.99 assign ((resid 62 and name HA )) ((resid 64 and name HN )) 5.50 3.70 0.00 ! by hand !assign ((resid 62 and name HB1 )) ((resid 62 and name HD1* )) 4.25 2.45 0.00 ! #SUP 6.24 assign ((resid 62 and name HB1 )) ((resid 63 and name HN )) 5.32 3.52 0.00 ! #SUP 7.35 assign ((resid 62 and name HB1 )) ((resid 66 and name HD1* )) 4.00 2.20 0.00 ! #SUP 1.21 !assign ((resid 62 and name HB2 )) ((resid 62 and name HD1* )) 3.83 2.03 0.00 ! #SUP 6.69 !assign ((resid 62 and name HB2 )) ((resid 62 and name HD2* )) 3.71 1.91 0.00 ! #SUP 6.72 assign ((resid 62 and name HB2 )) ((resid 63 and name HN )) 4.99 3.19 0.00 ! #SUP 8.04 assign ((resid 62 and name HD1* )) ((resid 63 and name HB1 )) 4.87 3.07 0.00 ! #SUP 5.77 assign ((resid 62 and name HD1* )) ((resid 63 and name HN )) 5.16 3.36 0.00 ! #SUP 8.66 assign ((resid 62 and name HD1* )) ((resid 64 and name HN )) 5.50 3.70 0.00 ! #SUP 2.64 assign ((resid 62 and name HD2* )) ((resid 63 and name HN )) 4.74 2.94 0.00 ! #SUP 8.01 assign ((resid 62 and name HD1* )) ((resid 61 and name HN )) 5.27 3.47 0.00 ! #SUP 6.66 changed assignment assign ((resid 62 and name HG )) ((resid 63 and name HN )) 5.11 3.31 0.00 ! #SUP 7.68 assign ((resid 62 and name HG )) ((resid 64 and name HN )) 5.43 3.63 0.00 ! #SUP 4.09 assign ((resid 62 and name HG )) ((resid 65 and name HB1 )) 2.40 0.60 0.00 ! #SUP 1.50 assign ((resid 62 and name HG )) ((resid 65 and name HN )) 5.18 3.38 0.00 ! #SUP 2.13 assign ((resid 62 and name HN )) ((resid 62 and name HB2 )) 4.07 2.27 0.00 ! #SUP 8.36 !assign ((resid 62 and name HN )) ((resid 62 and name HD2* )) 5.36 3.56 0.00 ! #SUP 8.08 !assign ((resid 62 and name HN )) ((resid 62 and name HG )) 5.10 3.30 0.00 ! #SUP 7.49 assign ((resid 62 and name HN )) ((resid 63 and name HN )) 5.26 3.46 0.00 ! #SUP 8.19 assign (resid 62 and name HD2#) (resid 43 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.129 assign ((resid 63 and name HA )) ((resid 64 and name HN )) 3.29 1.49 0.00 ! #SUP 4.51 assign ((resid 63 and name HA )) ((resid 65 and name HN )) 4.70 2.90 0.00 ! #SUP 2.60 assign ((resid 63 and name HB1 )) ((resid 66 and name HD1* )) 5.30 3.50 0.00 ! #SUP 2.46 assign ((resid 63 and name HB2 )) ((resid 64 and name HN )) 4.75 2.95 0.00 ! #SUP 4.01 assign ((resid 63 and name HN )) ((resid 63 and name HB2 )) 4.13 2.33 0.00 ! #SUP 6.04 !assign ((resid 63 and name HN )) ((resid 66 and name HD1* )) 5.50 3.70 0.00 ! #SUP 2.94 not a methyl peak !assign ((resid 64 and name HA )) ((resid 64 and name HG* )) 3.35 1.55 0.00 ! #SUP 3.86 assign ((resid 64 and name HA )) ((resid 67 and name HB1 )) 3.93 2.13 0.00 ! #SUP 2.32 assign ((resid 64 and name HA )) ((resid 67 and name HD* )) 4.03 2.23 0.00 ! #SUP 2.32 assign ((resid 64 and name HA )) ((resid 67 and name HG2 )) 4.09 2.29 0.00 ! #SUP 2.49 assign ((resid 64 and name HB1 )) ((resid 65 and name HN )) 4.24 2.44 0.00 ! #SUP 4.93 assign ((resid 64 and name HB2 )) ((resid 65 and name HN )) 4.26 2.46 0.00 ! #SUP 4.93 assign ((resid 64 and name HG* )) ((resid 65 and name HN )) 4.44 2.64 0.00 ! #SUP 5.95 assign ((resid 64 and name HN )) ((resid 64 and name HB1 )) 3.79 1.99 0.00 ! #SUP 5.04 assign ((resid 64 and name HN )) ((resid 64 and name HB2 )) 3.89 2.09 0.00 ! #SUP 4.99 assign ((resid 64 and name HN )) ((resid 65 and name HB1 )) 5.00 3.20 0.00 ! #SUP 3.51 assign ((resid 64 and name HN )) ((resid 65 and name HN )) 3.52 1.72 0.00 ! #SUP 7.18 !assign ((resid 65 and name HA )) ((resid 65 and name HB1 )) 2.57 0.77 0.00 ! #SUP 2.31 assign ((resid 65 and name HB1 )) ((resid 66 and name HN )) 3.62 1.82 0.00 ! #SUP 4.74 assign ((resid 65 and name HN )) ((resid 65 and name HB1 )) 2.94 1.14 0.00 ! #SUP 4.21 assign ((resid 65 and name HN )) ((resid 66 and name HN )) 3.72 1.92 0.00 ! #SUP 5.63 assign (resid 65 and name HB#) (resid 66 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.64 assign (resid 65 and name HB#) (resid 66 and name HD2#) 7.000 5.2 0.0 ! mhnoesy_final2.63 assign (resid 65 and name HB#) (resid 66 and name HG) 7.000 5.2 0.0 ! mhnoesy_final2.65 assign (resid 65 and name HB#) (resid 7 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.62 !assign ((resid 66 and name HA )) ((resid 66 and name HB* )) 2.94 1.14 0.00 ! #SUP 4.81 !assign ((resid 66 and name HA )) ((resid 66 and name HD1* )) 4.28 2.48 0.00 ! #SUP 5.11 !assign ((resid 66 and name HA )) ((resid 66 and name HD2* )) 3.21 1.41 0.00 ! #SUP 5.00 !assign ((resid 66 and name HB* )) ((resid 66 and name HD1* )) 3.37 1.57 0.00 ! #SUP 4.81 !assign ((resid 66 and name HB* )) ((resid 66 and name HD2* )) 3.48 1.68 0.00 ! #SUP 4.81 assign ((resid 66 and name HD1* )) ((resid 67 and name HN )) 5.34 3.54 0.00 ! #SUP 5.39 assign ((resid 66 and name HD2* )) ((resid 67 and name HN )) 4.96 3.16 0.00 ! #SUP 5.35 assign ((resid 66 and name HN )) ((resid 66 and name HB* )) 3.24 1.44 0.00 ! #SUP 5.33 !assign ((resid 66 and name HN )) ((resid 66 and name HD1* )) 4.78 2.98 0.00 ! #SUP 5.49 !assign ((resid 66 and name HN )) ((resid 66 and name HD2* )) 4.57 2.77 0.00 ! #SUP 5.38 !assign ((resid 66 and name HN )) ((resid 66 and name HG )) 3.64 1.84 0.00 ! #SUP 4.97 assign (resid 66 and name HD1#) (resid 20 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.134 assign (resid 66 and name HD1#) (resid 59 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.132 !assign (resid 66 and name HD2#) (resid 66 and name HD1#) 7.000 5.2 0.0 ! mhnoesy_final2.125 !assign (resid 66 and name HD2#) (resid 66 and name HG) 7.000 5.2 0.0 ! mhnoesy_final2.126 assign (resid 66 and name HD2#) (resid 7 and name HG2#) 7.000 5.2 0.0 ! mhnoesy_final2.120 !assign ((resid 67 and name HB1 )) ((resid 67 and name HD* )) 3.27 1.47 0.00 ! #SUP 4.57 !assign ((resid 67 and name HB1 )) ((resid 67 and name HG1 )) 2.88 1.08 0.00 ! #SUP 5.38 !assign ((resid 67 and name HB2 )) ((resid 67 and name HD* )) 3.51 1.71 0.00 ! #SUP 4.31 assign ((resid 67 and name HG1 )) ((resid 68 and name HN )) 4.69 2.89 0.00 ! #SUP 5.27 assign ((resid 67 and name HN )) ((resid 67 and name HB1 )) 3.30 1.50 0.00 ! #SUP 5.95 assign ((resid 67 and name HN )) ((resid 67 and name HB2 )) 3.58 1.78 0.00 ! #SUP 5.58 !assign ((resid 67 and name HN )) ((resid 67 and name HD* )) 4.65 2.85 0.00 ! #SUP 4.87 assign ((resid 67 and name HN )) ((resid 68 and name HN )) 3.97 2.17 0.00 ! #SUP 4.30 !assign ((resid 68 and name HA )) ((resid 68 and name HB2 )) 2.81 1.01 0.00 ! #SUP 5.25 assign ((resid 68 and name HA )) ((resid 69 and name HN )) 3.11 1.31 0.00 ! #SUP 2.99 assign ((resid 68 and name HB2 )) ((resid 69 and name HN )) 4.26 2.46 0.00 ! #SUP 3.60 !assign ((resid 68 and name HN )) ((resid 69 and name HN )) 3.84 2.04 0.00 ! #SUP 3.19 diagonal assign ((resid 69 and name HA* )) ((resid 70 and name HN )) 3.56 1.76 0.00 ! #SUP 1.20 !assign (resid 70 and name HD2) (resid 70 and name HA) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.65 !assign (resid 70 and name HD2) (resid 70 and name HB1) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.67 !assign (resid 70 and name HD2) (resid 70 and name HB2) 3.400 1.6 2.0 ! 2dnoesy_arom_simplified.68 !assign (resid 70 and name HD2) (resid 70 and name HE1) 2.800 1.0 2.0 ! 2dnoesy_arom_simplified.27 assign ((resid 70 and name HB1 )) ((resid 71 and name HN )) 5.11 3.31 0.00 ! #SUP 3.55 assign ((resid 70 and name HB2 )) ((resid 71 and name HN )) 5.12 3.32 0.00 ! #SUP 3.55 assign ((resid 70 and name HN )) ((resid 70 and name HB1 )) 4.14 2.34 0.00 ! #SUP 3.29 assign (resid 70 and name HD2) (resid 66 and name HD2#) 5.000 3.2 2.0 ! 2dnoesy_arom_simplified.69 assign ((resid 71 and name HA )) ((resid 72 and name HN )) 3.41 1.61 0.00 ! #SUP 3.20 assign ((resid 71 and name HB* )) ((resid 72 and name HN )) 4.27 2.47 0.00 ! #SUP 3.20 !assign ((resid 71 and name HN )) ((resid 72 and name HN )) 4.69 2.89 0.00 ! #SUP 3.20 diagonal assign ((resid 72 and name HN )) ((resid 72 and name HB1 )) 3.71 1.91 0.00 ! #SUP 3.92 assign ((resid 72 and name HN )) ((resid 72 and name HG* )) 4.70 2.90 0.00 ! #SUP 3.82 ! Distance constraint file from ATNOS/CANDID ! ATNOS/CANDID version 1.1 ! File format : cns ! File generated: 2006 March 4th, 22:59:24 !assign ((resid 16 and name HA )) ((resid 17 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 16 and name HN )) ((resid 17 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 16 and name HB2 )) ((resid 17 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 17 and name HA )) ((resid 18 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 17 and name HN )) ((resid 18 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 17 and name HB2 )) ((resid 18 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 18 and name HA )) ((resid 19 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 18 and name HN )) ((resid 19 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !assign ((resid 18 and name HB )) ((resid 19 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 19 and name HA )) ((resid 20 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 19 and name HN )) ((resid 20 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 19 and name HB2 )) ((resid 20 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 25 and name HA )) ((resid 26 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 25 and name HN )) ((resid 26 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 25 and name HB2 )) ((resid 26 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 26 and name HA )) ((resid 27 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 26 and name HN )) ((resid 27 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 26 and name HB2 )) ((resid 27 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !!assign ((resid 27 and name HA2 )) ((resid 28 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 27 and name HN )) ((resid 28 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !assign ((resid 28 and name HA )) ((resid 29 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 28 and name HN )) ((resid 29 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 28 and name HB2 )) ((resid 29 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 29 and name HA )) ((resid 30 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 29 and name HN )) ((resid 30 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 29 and name HB2 )) ((resid 30 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 35 and name HA )) ((resid 36 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 35 and name HN )) ((resid 36 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 35 and name HB2 )) ((resid 36 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 36 and name HA )) ((resid 37 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 36 and name HN )) ((resid 37 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 36 and name HB2 )) ((resid 37 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 37 and name HA )) ((resid 38 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 37 and name HN )) ((resid 38 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 37 and name HB2 )) ((resid 38 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 50 and name HA )) ((resid 51 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 50 and name HN )) ((resid 51 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !assign ((resid 50 and name HB )) ((resid 51 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 51 and name HA )) ((resid 52 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 51 and name HN )) ((resid 52 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 51 and name HB2 )) ((resid 52 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 52 and name HA )) ((resid 53 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 52 and name HN )) ((resid 53 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !assign ((resid 52 and name HB )) ((resid 53 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 53 and name HA )) ((resid 54 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 53 and name HN )) ((resid 54 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !assign ((resid 53 and name HB )) ((resid 54 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 54 and name HA )) ((resid 55 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 54 and name HN )) ((resid 55 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 54 and name HB2 )) ((resid 55 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 59 and name HA )) ((resid 60 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 59 and name HN )) ((resid 60 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !assign ((resid 59 and name HB )) ((resid 60 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 60 and name HA )) ((resid 61 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 60 and name HN )) ((resid 61 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 60 and name HB2 )) ((resid 61 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !assign ((resid 61 and name HA )) ((resid 62 and name HN )) 2.70 0.90 0.00 ! #SUP 1.00 !assign ((resid 61 and name HN )) ((resid 62 and name HN )) 4.80 3.00 0.00 ! #SUP 1.00 !!assign ((resid 61 and name HB2 )) ((resid 62 and name HN )) 5.20 3.40 0.00 ! #SUP 1.00 !! ! !NOEs added manually for structure refinement, 25.04.2006 ! assign ((resid 60 and name HD* )) ((resid 63 and name HN )) 5.00 3.20 0.00 ! assign ((resid 15 and name HN )) ((resid 12 and name HD1# )) 5.50 3.70 0.00 ! assign ((resid 15 and name HN )) ((resid 12 and name HD2# )) 6.00 4.20 0.00 ! !methionine sidechains from 2D NOESY in D2O assign (resid 3 and name HE#) (resid 3 and name HA) 4.500 2.7 0.0 ! metch3.14 assign (resid 3 and name HE#) (resid 3 and name HG1) 4.500 2.7 0.0 ! metch3.16 assign (resid 3 and name HE#) (resid 6 and name HG1#) 6.000 4.2 0.0 ! metch3.19 assign (resid 3 and name HE#) (resid 9 and name HB) 6.000 4.2 0.0 ! metch3.15 assign (resid 26 and name HE#) (resid 18 and name HG2#) 6.000 4.2 0.0 ! metch3.10 assign (resid 26 and name HE#) (resid 20 and name HG1#) 6.000 4.2 0.0 ! metch3.9 assign (resid 28 and name HE#) (resid 12 and name HD2#) 6.000 4.2 0.0 ! metch3.42 assign (resid 28 and name HE#) (resid 16 and name HB1) 6.000 4.2 0.0 ! metch3.37 assign (resid 28 and name HE#) (resid 16 and name HB2) 6.000 4.2 0.0 ! metch3.38 assign (resid 28 and name HE#) (resid 18 and name HG1#) 6.000 4.2 0.0 ! metch3.40 assign (resid 28 and name HE#) (resid 28 and name HA) 6.000 4.2 0.0 ! metch3.35 assign (resid 36 and name HE#) (resid 16 and name HB2) 6.000 4.2 0.0 ! metch3.55 assign (resid 36 and name HE#) (resid 28 and name HA) 6.000 4.2 0.0 ! metch3.50 assign (resid 36 and name HE#) (resid 29 and name HA) 6.000 4.2 0.0 ! metch3.51 assign (resid 36 and name HE#) (resid 30 and name HB1) 6.000 4.2 0.0 ! metch3.57 assign (resid 36 and name HE#) (resid 30 and name HB2) 6.000 4.2 0.0 ! metch3.58 assign (resid 36 and name HE#) (resid 38 and name HA) 6.000 4.2 0.0 ! metch3.53 assign (resid 36 and name HE#) (resid 39 and name HD1) 6.000 4.2 0.0 ! metch3.54 assign (resid 36 and name HE#) (resid 39 and name HD2) 6.000 4.2 0.0 ! metch3.56 assign (resid 26 and name HE#) (resid 54 and name HA) 6.000 4.2 0.0 ! metch3.1 assign (resid 54 and name HE#) (resid 54 and name HA) 6.000 4.2 0.0 ! metch3.43 assign (resid 54 and name HE#) (resid 55 and name HA) 6.000 4.2 0.0 ! metch3.44 assign (resid 26 and name HE#) (resid 57 and name HA) 4.500 2.7 0.0 ! metch3.4 assign (resid 26 and name HE#) (resid 57 and name HB1) 6.000 4.2 0.0 ! metch3.7 assign (resid 26 and name HE#) (resid 57 and name HB2) 6.000 4.2 0.0 ! metch3.6 assign (resid 54 and name HE#) (resid 57 and name HB1) 6.000 4.2 0.0 ! metch3.48 assign (resid 54 and name HE#) (resid 57 and name HB2) 6.000 4.2 0.0 ! metch3.47 assign (resid 26 and name HE#) (resid 59 and name HD1#) 6.000 4.2 0.0 ! metch3.12 assign (resid 26 and name HE#) (resid 59 and name HG11) 6.000 4.2 0.0 ! metch3.8 assign (resid 26 and name HE#) (resid 59 and name HG2#) 6.000 4.2 0.0 ! metch3.11 assign (resid 54 and name HE#) (resid 59 and name HD1#) 6.000 4.2 0.0 ! metch3.49 ! ! !assign (resid 53 and name HN ) (resid 61 and name HA ) 4.00 2.20 0.00 ! #715 invisible dans 2d noe !assign (resid 62 and name HN ) (resid 52 and name HA ) 4.00 2.20 0.00 ! #715 presque invisible dans 2d noesy assign (resid 52 and name HA ) (resid 61 and name HA ) 4.00 2.20 0.00 ! #715