NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
524383 |
2lev   |
17729 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!######################################################################### !# # !# The structure of the complex was calculated as follows. # !# First the structure of the CT-Ler was calculated using only protein # !# NMR restraints. DNA (LeeH) was defined as B-DNA followed by MD water # !# refinement, including NMR restraints. The 20 lowest-energy protein # !# structures were selected and docked onto LeeH using inter-molecular # !# NOEs and AIRs. # !# # !######################################################################### ! ! ! (* all restrains are in CNS format *) ! ! ! (* Intra NOEs for CT-Ler bound *) ! ! assign (resid -1 and name HA ) (resid 0 and name HA ) 5.39 3.59 0.40 assign (resid -1 and name HA ) (resid 0 and name HB1 ) 5.42 3.62 0.40 assign (resid -1 and name HA ) (resid 0 and name HG1 ) 5.20 3.40 0.40 assign (resid -1 and name HA ) (resid 0 and name HG2 ) 5.50 3.70 0.40 assign (resid -1 and name HB* ) (resid 0 and name HA ) 5.50 3.70 0.40 assign (resid -1 and name HB* ) (resid 0 and name HG1 ) 5.12 3.32 0.40 assign (resid -1 and name HB* ) (resid 0 and name HG2 ) 5.27 3.47 0.40 assign (resid -1 and name HB* ) (resid 0 and name HN ) 3.96 2.16 0.40 assign (resid 0 and name HA ) (resid 0 and name HB2 ) 2.83 1.03 0.40 assign (resid 0 and name HA ) (resid 0 and name HG1 ) 4.09 2.29 0.40 assign (resid 0 and name HA ) (resid 1 and name HA* ) 4.36 2.56 0.40 assign (resid 0 and name HB1 ) (resid 0 and name HE* ) 4.03 2.23 0.40 assign (resid 0 and name HB1 ) (resid 1 and name HN ) 4.44 2.64 0.40 assign (resid 0 and name HB1 ) (resid 43 and name HE* ) 5.50 3.70 0.40 assign (resid 0 and name HB1 ) (resid 46 and name HA ) 5.50 3.70 0.40 assign (resid 0 and name HB2 ) (resid 1 and name HN ) 4.28 2.48 0.40 assign (resid 0 and name HB2 ) (resid 43 and name HB1 ) 5.50 3.70 0.40 assign (resid 0 and name HB2 ) (resid 43 and name HE* ) 4.92 3.12 0.40 assign (resid 0 and name HB2 ) (resid 43 and name HG* ) 4.93 3.13 0.40 assign (resid 0 and name HE* ) (resid 2 and name HA ) 5.50 3.70 0.40 assign (resid 0 and name HE* ) (resid 2 and name HB1 ) 5.50 3.70 0.40 assign (resid 0 and name HE* ) (resid 2 and name HD21 ) 5.50 3.70 0.40 assign (resid 0 and name HE* ) (resid 2 and name HD22 ) 5.50 3.70 0.40 assign (resid 0 and name HE* ) (resid 2 and name HN ) 5.50 3.70 0.40 assign (resid 0 and name HE* ) (resid 43 and name HB1 ) 5.44 3.64 0.40 assign (resid 0 and name HE* ) (resid 43 and name HB2 ) 4.91 3.11 0.40 assign (resid 0 and name HE* ) (resid 45 and name HA ) 4.84 3.04 0.40 assign (resid 0 and name HE* ) (resid 45 and name HN ) 5.50 3.70 0.40 assign (resid 0 and name HE* ) (resid 5 and name HB2 ) 4.67 2.87 0.40 assign (resid 0 and name HE* ) (resid 5 and name HD* ) 5.50 3.70 0.40 assign (resid 0 and name HE* ) (resid 5 and name HG1 ) 5.50 3.70 0.40 assign (resid 0 and name HG1 ) (resid 0 and name HE* ) 3.45 1.65 0.40 assign (resid 0 and name HG1 ) (resid 2 and name HB1 ) 4.48 2.68 0.40 assign (resid 0 and name HG1 ) (resid 43 and name HE* ) 5.50 3.70 0.40 assign (resid 0 and name HG1 ) (resid 43 and name HG* ) 5.50 3.70 0.40 assign (resid 0 and name HG2 ) (resid 0 and name HE* ) 3.34 1.54 0.40 assign (resid 0 and name HG2 ) (resid 1 and name HA* ) 5.22 3.42 0.40 assign (resid 0 and name HG2 ) (resid 1 and name HN ) 5.47 3.67 0.40 assign (resid 0 and name HG2 ) (resid 2 and name HB1 ) 4.62 2.82 0.40 assign (resid 0 and name HG2 ) (resid 43 and name HB1 ) 5.50 3.70 0.40 assign (resid 0 and name HG2 ) (resid 43 and name HB2 ) 5.40 3.60 0.40 assign (resid 0 and name HG2 ) (resid 43 and name HE* ) 4.78 2.98 0.40 assign (resid 0 and name HG2 ) (resid 43 and name HG* ) 5.50 3.70 0.40 assign (resid 0 and name HN ) (resid 0 and name HB1 ) 3.76 1.96 0.40 assign (resid 0 and name HN ) (resid 0 and name HG1 ) 4.63 2.83 0.40 assign (resid 0 and name HN ) (resid 1 and name HA* ) 4.81 3.01 0.40 assign (resid 1 and name HA* ) (resid 2 and name HA ) 4.00 2.20 0.40 assign (resid 1 and name HA* ) (resid 2 and name HB1 ) 4.60 2.80 0.40 assign (resid 1 and name HA* ) (resid 2 and name HB2 ) 4.48 2.68 0.40 assign (resid 1 and name HA* ) (resid 2 and name HN ) 3.18 1.38 0.40 assign (resid 1 and name HA* ) (resid 43 and name HE* ) 4.11 2.31 0.40 assign (resid 1 and name HN ) (resid 1 and name HA* ) 2.78 0.98 0.40 assign (resid 1 and name HN ) (resid 43 and name HE* ) 4.89 3.09 0.40 assign (resid 2 and name HA ) (resid 2 and name HB1 ) 2.99 1.19 0.40 assign (resid 2 and name HA ) (resid 2 and name HB2 ) 2.60 0.80 0.40 assign (resid 2 and name HA ) (resid 2 and name HD21 ) 3.58 1.78 0.40 assign (resid 2 and name HA ) (resid 2 and name HD22 ) 4.06 2.26 0.40 assign (resid 2 and name HA ) (resid 3 and name HA ) 4.56 2.76 0.40 assign (resid 2 and name HA ) (resid 3 and name HB* ) 4.88 3.08 0.40 assign (resid 2 and name HA ) (resid 3 and name HN ) 2.40 0.60 0.40 assign (resid 2 and name HA ) (resid 7 and name HG1* ) 5.48 3.68 0.40 assign (resid 2 and name HB1 ) (resid 2 and name HD21 ) 3.90 2.10 0.40 assign (resid 2 and name HB1 ) (resid 3 and name HA ) 5.09 3.29 0.40 assign (resid 2 and name HB1 ) (resid 43 and name HD* ) 4.84 3.04 0.40 assign (resid 2 and name HB1 ) (resid 5 and name HB1 ) 5.50 3.70 0.40 assign (resid 2 and name HB1 ) (resid 5 and name HE* ) 4.75 2.95 0.40 assign (resid 2 and name HB1 ) (resid 7 and name HG1* ) 5.15 3.35 0.40 assign (resid 2 and name HB2 ) (resid 5 and name HG2 ) 5.50 3.70 0.40 assign (resid 2 and name HB2 ) (resid 7 and name HG1* ) 5.50 3.70 0.40 assign (resid 2 and name HD21 ) (resid 5 and name HB2 ) 5.10 3.30 0.40 assign (resid 2 and name HD22 ) (resid 3 and name HA ) 5.13 3.33 0.40 assign (resid 2 and name HD22 ) (resid 3 and name HB* ) 5.43 3.63 0.40 assign (resid 2 and name HD22 ) (resid 4 and name HA ) 5.50 3.70 0.40 assign (resid 2 and name HD22 ) (resid 4 and name HB* ) 5.50 3.70 0.40 assign (resid 2 and name HD22 ) (resid 5 and name HB1 ) 5.50 3.70 0.40 assign (resid 2 and name HD22 ) (resid 5 and name HB2 ) 5.50 3.70 0.40 assign (resid 2 and name HD22 ) (resid 5 and name HE* ) 4.14 2.34 0.40 assign (resid 2 and name HD22 ) (resid 7 and name HG1* ) 5.34 3.54 0.40 assign (resid 2 and name HN ) (resid 2 and name HA ) 2.93 1.13 0.40 assign (resid 2 and name HN ) (resid 2 and name HB1 ) 3.76 1.96 0.40 assign (resid 2 and name HN ) (resid 2 and name HB2 ) 3.77 1.97 0.40 assign (resid 3 and name HA ) (resid 43 and name HG* ) 5.50 3.70 0.40 assign (resid 3 and name HA ) (resid 7 and name HB ) 4.46 2.66 0.40 assign (resid 3 and name HA ) (resid 7 and name HG1* ) 3.82 2.02 0.40 assign (resid 3 and name HA ) (resid 7 and name HN ) 5.38 3.58 0.40 assign (resid 3 and name HB* ) (resid 7 and name HG1* ) 3.94 2.14 0.40 assign (resid 3 and name HN ) (resid 3 and name HB* ) 3.20 1.40 0.40 assign (resid 3 and name HN ) (resid 4 and name HB* ) 3.67 1.87 0.40 assign (resid 4 and name HA ) (resid 5 and name HG2 ) 5.16 3.36 0.40 assign (resid 4 and name HA ) (resid 5 and name HN ) 3.12 1.32 0.40 assign (resid 4 and name HB* ) (resid 5 and name HN ) 3.82 2.02 0.40 assign (resid 4 and name HN ) (resid 4 and name HB* ) 3.39 1.59 0.40 assign (resid 4 and name HN ) (resid 5 and name HG2 ) 5.31 3.51 0.40 assign (resid 5 and name HA ) (resid 5 and name HB2 ) 2.99 1.19 0.40 assign (resid 5 and name HA ) (resid 5 and name HD* ) 3.81 2.01 0.40 assign (resid 5 and name HA ) (resid 5 and name HE* ) 4.53 2.73 0.40 assign (resid 5 and name HA ) (resid 5 and name HG1 ) 4.15 2.35 0.40 assign (resid 5 and name HA ) (resid 5 and name HG2 ) 3.03 1.23 0.40 assign (resid 5 and name HA ) (resid 6 and name HA* ) 4.01 2.21 0.40 assign (resid 5 and name HA ) (resid 6 and name HN ) 3.22 1.42 0.40 assign (resid 5 and name HA ) (resid 7 and name HG1* ) 4.81 3.01 0.40 assign (resid 5 and name HA ) (resid 7 and name HN ) 4.62 2.82 0.40 assign (resid 5 and name HB1 ) (resid 44 and name HB1 ) 4.97 3.17 0.40 assign (resid 5 and name HB1 ) (resid 44 and name HB2 ) 5.18 3.38 0.40 assign (resid 5 and name HB1 ) (resid 5 and name HD* ) 3.60 1.80 0.40 assign (resid 5 and name HB1 ) (resid 5 and name HE* ) 3.76 1.96 0.40 assign (resid 5 and name HB1 ) (resid 6 and name HA* ) 4.94 3.14 0.40 assign (resid 5 and name HB1 ) (resid 7 and name HG1* ) 4.44 2.64 0.40 assign (resid 5 and name HB1 ) (resid 7 and name HN ) 5.05 3.25 0.40 assign (resid 5 and name HB2 ) (resid 5 and name HD* ) 3.76 1.96 0.40 assign (resid 5 and name HB2 ) (resid 5 and name HE* ) 4.70 2.90 0.40 assign (resid 5 and name HB2 ) (resid 6 and name HA* ) 4.48 2.68 0.40 assign (resid 5 and name HB2 ) (resid 7 and name HG1* ) 4.67 2.87 0.40 assign (resid 5 and name HB2 ) (resid 7 and name HN ) 5.18 3.38 0.40 assign (resid 5 and name HD* ) (resid 44 and name HB2 ) 5.34 3.54 0.40 assign (resid 5 and name HD* ) (resid 6 and name HA* ) 5.50 3.70 0.40 assign (resid 5 and name HE* ) (resid 7 and name HG1* ) 5.30 3.50 0.40 assign (resid 5 and name HG2 ) (resid 5 and name HD* ) 2.76 0.96 0.40 assign (resid 5 and name HG2 ) (resid 5 and name HE* ) 3.68 1.88 0.40 assign (resid 5 and name HG2 ) (resid 6 and name HN ) 5.12 3.32 0.40 assign (resid 5 and name HN ) (resid 5 and name HB1 ) 3.61 1.81 0.40 assign (resid 5 and name HN ) (resid 5 and name HG2 ) 3.85 2.05 0.40 assign (resid 5 and name HN ) (resid 7 and name HG1* ) 5.50 3.70 0.40 assign (resid 6 and name HA* ) (resid 44 and name HA ) 5.50 3.70 0.40 assign (resid 6 and name HA* ) (resid 44 and name HB1 ) 4.37 2.57 0.40 assign (resid 6 and name HA* ) (resid 44 and name HB2 ) 4.41 2.61 0.40 assign (resid 6 and name HA* ) (resid 44 and name HN ) 5.07 3.27 0.40 assign (resid 6 and name HA* ) (resid 7 and name HA ) 5.50 3.70 0.40 assign (resid 6 and name HA* ) (resid 7 and name HB ) 5.29 3.49 0.40 assign (resid 6 and name HA* ) (resid 7 and name HG1* ) 3.87 2.07 0.40 assign (resid 6 and name HA* ) (resid 7 and name HN ) 3.06 1.26 0.40 assign (resid 6 and name HA* ) (resid 8 and name HD* ) 5.33 3.53 0.40 assign (resid 6 and name HA* ) (resid 8 and name HE* ) 5.50 3.70 0.40 assign (resid 6 and name HN ) (resid 44 and name HB1 ) 5.21 3.41 0.40 assign (resid 6 and name HN ) (resid 44 and name HB2 ) 5.50 3.70 0.40 assign (resid 6 and name HN ) (resid 6 and name HA* ) 2.89 1.09 0.40 assign (resid 6 and name HN ) (resid 7 and name HG1* ) 4.73 2.93 0.40 assign (resid 6 and name HN ) (resid 7 and name HN ) 3.53 1.73 0.40 assign (resid 7 and name HA ) (resid 41 and name HD2* ) 4.51 2.71 0.40 assign (resid 7 and name HA ) (resid 43 and name HB2 ) 5.50 3.70 0.40 assign (resid 7 and name HA ) (resid 43 and name HD* ) 4.67 2.87 0.40 assign (resid 7 and name HA ) (resid 43 and name HG* ) 4.32 2.52 0.40 assign (resid 7 and name HA ) (resid 44 and name HA ) 5.32 3.52 0.40 assign (resid 7 and name HA ) (resid 44 and name HB1 ) 5.50 3.70 0.40 assign (resid 7 and name HA ) (resid 44 and name HB2 ) 5.50 3.70 0.40 assign (resid 7 and name HA ) (resid 44 and name HN ) 4.89 3.09 0.40 assign (resid 7 and name HA ) (resid 7 and name HG1* ) 3.13 1.33 0.40 assign (resid 7 and name HA ) (resid 7 and name HG2* ) 2.89 1.09 0.40 assign (resid 7 and name HA ) (resid 8 and name HA ) 5.20 3.40 0.40 assign (resid 7 and name HA ) (resid 8 and name HB1 ) 5.50 3.70 0.40 assign (resid 7 and name HA ) (resid 8 and name HD* ) 4.87 3.07 0.40 assign (resid 7 and name HA ) (resid 8 and name HE* ) 5.50 3.70 0.40 assign (resid 7 and name HA ) (resid 8 and name HN ) 3.17 1.37 0.40 assign (resid 7 and name HB ) (resid 43 and name HD* ) 4.41 2.61 0.40 assign (resid 7 and name HB ) (resid 43 and name HG* ) 4.41 2.61 0.40 assign (resid 7 and name HB ) (resid 8 and name HD* ) 5.38 3.58 0.40 assign (resid 7 and name HB ) (resid 8 and name HN ) 3.82 2.02 0.40 assign (resid 7 and name HG1* ) (resid 18 and name HA ) 5.50 3.70 0.40 assign (resid 7 and name HG1* ) (resid 43 and name HA ) 4.72 2.92 0.40 assign (resid 7 and name HG1* ) (resid 43 and name HD* ) 4.00 2.20 0.40 assign (resid 7 and name HG1* ) (resid 43 and name HG* ) 3.70 1.90 0.40 assign (resid 7 and name HG1* ) (resid 44 and name HB1 ) 5.50 3.70 0.40 assign (resid 7 and name HG1* ) (resid 44 and name HB2 ) 5.50 3.70 0.40 assign (resid 7 and name HG1* ) (resid 44 and name HN ) 5.08 3.28 0.40 assign (resid 7 and name HG1* ) (resid 8 and name HA ) 5.50 3.70 0.40 assign (resid 7 and name HG2* ) (resid 42 and name HA ) 5.12 3.32 0.40 assign (resid 7 and name HG2* ) (resid 42 and name HN ) 4.92 3.12 0.40 assign (resid 7 and name HG2* ) (resid 43 and name HA ) 3.28 1.48 0.40 assign (resid 7 and name HG2* ) (resid 43 and name HB1 ) 4.23 2.43 0.40 assign (resid 7 and name HG2* ) (resid 43 and name HD* ) 3.64 1.84 0.40 assign (resid 7 and name HG2* ) (resid 43 and name HE* ) 4.75 2.95 0.40 assign (resid 7 and name HG2* ) (resid 43 and name HG* ) 3.41 1.61 0.40 assign (resid 7 and name HG2* ) (resid 44 and name HB1 ) 5.50 3.70 0.40 assign (resid 7 and name HG2* ) (resid 44 and name HN ) 5.06 3.26 0.40 assign (resid 7 and name HG2* ) (resid 8 and name HA ) 4.39 2.59 0.40 assign (resid 7 and name HG2* ) (resid 8 and name HB* ) 5.50 3.70 0.40 assign (resid 7 and name HG2* ) (resid 8 and name HD* ) 5.23 3.43 0.40 assign (resid 7 and name HG2* ) (resid 8 and name HN ) 3.86 2.06 0.40 assign (resid 7 and name HG2* ) (resid 9 and name HA ) 5.50 3.70 0.40 assign (resid 7 and name HG2* ) (resid 9 and name HD* ) 5.29 3.49 0.40 assign (resid 7 and name HG2* ) (resid 9 and name HE* ) 5.50 3.70 0.40 assign (resid 7 and name HN ) (resid 43 and name HA ) 5.50 3.70 0.40 assign (resid 7 and name HN ) (resid 43 and name HG* ) 5.34 3.54 0.40 assign (resid 7 and name HN ) (resid 7 and name HB ) 3.50 1.70 0.40 assign (resid 7 and name HN ) (resid 7 and name HG1* ) 3.28 1.48 0.40 assign (resid 7 and name HN ) (resid 7 and name HG2* ) 3.99 2.19 0.40 assign (resid 7 and name HN ) (resid 8 and name HN ) 5.32 3.52 0.40 assign (resid 8 and name HA ) (resid 17 and name HN ) 5.26 3.46 0.40 assign (resid 8 and name HA ) (resid 18 and name HA ) 4.31 2.51 0.40 assign (resid 8 and name HA ) (resid 8 and name HD* ) 4.11 2.31 0.40 assign (resid 8 and name HA ) (resid 9 and name HA ) 5.26 3.46 0.40 assign (resid 8 and name HB1 ) (resid 18 and name HA ) 4.19 2.39 0.40 assign (resid 8 and name HB1 ) (resid 18 and name HB* ) 5.26 3.46 0.40 assign (resid 8 and name HB2 ) (resid 16 and name HG2* ) 5.50 3.70 0.40 assign (resid 8 and name HB2 ) (resid 17 and name HN ) 5.50 3.70 0.40 assign (resid 8 and name HB2 ) (resid 42 and name HG1* ) 5.50 3.70 0.40 assign (resid 8 and name HB2 ) (resid 9 and name HN ) 4.25 2.45 0.40 assign (resid 8 and name HB* ) (resid 18 and name HA ) 3.87 2.07 0.40 assign (resid 8 and name HD* ) (resid 10 and name HA ) 5.31 3.51 0.40 assign (resid 8 and name HD* ) (resid 10 and name HB1 ) 5.31 3.51 0.40 assign (resid 8 and name HD* ) (resid 10 and name HB2 ) 5.36 3.56 0.40 assign (resid 8 and name HD* ) (resid 10 and name HD1 ) 4.98 3.18 0.40 assign (resid 8 and name HD* ) (resid 10 and name HD2 ) 4.93 3.13 0.40 assign (resid 8 and name HD* ) (resid 16 and name HA ) 4.63 2.83 0.40 assign (resid 8 and name HD* ) (resid 16 and name HB ) 4.18 2.38 0.40 assign (resid 8 and name HD* ) (resid 16 and name HG2* ) 3.69 1.89 0.40 assign (resid 8 and name HD* ) (resid 18 and name HA ) 4.58 2.78 0.40 assign (resid 8 and name HD* ) (resid 18 and name HB* ) 5.50 3.70 0.40 assign (resid 8 and name HD* ) (resid 42 and name HB ) 5.08 3.28 0.40 assign (resid 8 and name HD* ) (resid 42 and name HG1* ) 4.34 2.54 0.40 assign (resid 8 and name HD* ) (resid 42 and name HG2* ) 4.65 2.85 0.40 assign (resid 8 and name HD* ) (resid 43 and name HA ) 5.29 3.49 0.40 assign (resid 8 and name HD* ) (resid 44 and name HA ) 5.50 3.70 0.40 assign (resid 8 and name HD* ) (resid 44 and name HB1 ) 5.20 3.40 0.40 assign (resid 8 and name HE* ) (resid 10 and name HB1 ) 5.11 3.31 0.40 assign (resid 8 and name HE* ) (resid 10 and name HB2 ) 5.43 3.63 0.40 assign (resid 8 and name HE* ) (resid 10 and name HD1 ) 4.54 2.74 0.40 assign (resid 8 and name HE* ) (resid 10 and name HD2 ) 4.51 2.71 0.40 assign (resid 8 and name HE* ) (resid 16 and name HA ) 5.44 3.64 0.40 assign (resid 8 and name HE* ) (resid 16 and name HB ) 4.81 3.01 0.40 assign (resid 8 and name HE* ) (resid 16 and name HG2* ) 3.61 1.81 0.40 assign (resid 8 and name HE* ) (resid 42 and name HB ) 4.79 2.99 0.40 assign (resid 8 and name HE* ) (resid 42 and name HG1* ) 3.92 2.12 0.40 assign (resid 8 and name HE* ) (resid 42 and name HG2* ) 3.98 2.18 0.40 assign (resid 8 and name HE* ) (resid 43 and name HA ) 5.50 3.70 0.40 assign (resid 8 and name HE* ) (resid 44 and name HA ) 4.05 2.25 0.40 assign (resid 8 and name HE* ) (resid 44 and name HB1 ) 4.67 2.87 0.40 assign (resid 8 and name HE* ) (resid 44 and name HB2 ) 5.11 3.31 0.40 assign (resid 8 and name HE* ) (resid 44 and name HN ) 5.37 3.57 0.40 assign (resid 8 and name HN ) (resid 41 and name HD2* ) 4.40 2.60 0.40 assign (resid 8 and name HN ) (resid 41 and name HG ) 4.97 3.17 0.40 assign (resid 8 and name HN ) (resid 42 and name HG1* ) 4.90 3.10 0.40 assign (resid 8 and name HN ) (resid 42 and name HN ) 4.28 2.48 0.40 assign (resid 8 and name HN ) (resid 43 and name HA ) 4.38 2.58 0.40 assign (resid 8 and name HN ) (resid 43 and name HD* ) 5.21 3.41 0.40 assign (resid 8 and name HN ) (resid 43 and name HG* ) 5.06 3.26 0.40 assign (resid 8 and name HN ) (resid 8 and name HD* ) 4.57 2.77 0.40 assign (resid 8 and name HN ) (resid 9 and name HN ) 4.96 3.16 0.40 assign (resid 9 and name HA ) (resid 10 and name HA ) 5.50 3.70 0.40 assign (resid 9 and name HA ) (resid 10 and name HB2 ) 5.50 3.70 0.40 assign (resid 9 and name HA ) (resid 16 and name HA ) 5.50 3.70 0.40 assign (resid 9 and name HA ) (resid 16 and name HB ) 5.50 3.70 0.40 assign (resid 9 and name HA ) (resid 40 and name HD* ) 5.50 3.70 0.40 assign (resid 9 and name HA ) (resid 41 and name HA ) 3.95 2.15 0.40 assign (resid 9 and name HA ) (resid 41 and name HB1 ) 5.50 3.70 0.40 assign (resid 9 and name HA ) (resid 41 and name HB2 ) 5.50 3.70 0.40 assign (resid 9 and name HA ) (resid 41 and name HD2* ) 4.65 2.85 0.40 assign (resid 9 and name HA ) (resid 41 and name HG ) 5.50 3.70 0.40 assign (resid 9 and name HA ) (resid 42 and name HB ) 5.30 3.50 0.40 assign (resid 9 and name HA ) (resid 42 and name HG1* ) 4.18 2.38 0.40 assign (resid 9 and name HA ) (resid 42 and name HG2* ) 5.50 3.70 0.40 assign (resid 9 and name HA ) (resid 42 and name HN ) 4.59 2.79 0.40 assign (resid 9 and name HA ) (resid 9 and name HD* ) 4.43 2.63 0.40 assign (resid 9 and name HA ) (resid 9 and name HE* ) 4.91 3.11 0.40 assign (resid 9 and name HB1 ) (resid 10 and name HA ) 4.74 2.94 0.40 assign (resid 9 and name HB1 ) (resid 10 and name HN ) 4.57 2.77 0.40 assign (resid 9 and name HB1 ) (resid 16 and name HA ) 5.18 3.38 0.40 assign (resid 9 and name HB1 ) (resid 17 and name HB1 ) 4.19 2.39 0.40 assign (resid 9 and name HB1 ) (resid 17 and name HZ3 ) 5.50 3.70 0.40 assign (resid 9 and name HB1 ) (resid 27 and name HD2* ) 5.50 3.70 0.40 assign (resid 9 and name HB1 ) (resid 41 and name HA ) 5.50 3.70 0.40 assign (resid 9 and name HB1 ) (resid 41 and name HG ) 5.50 3.70 0.40 assign (resid 9 and name HB2 ) (resid 10 and name HN ) 5.12 3.32 0.40 assign (resid 9 and name HB2 ) (resid 41 and name HA ) 5.12 3.32 0.40 assign (resid 9 and name HB2 ) (resid 41 and name HD2* ) 5.33 3.53 0.40 assign (resid 9 and name HB2 ) (resid 42 and name HG1* ) 5.34 3.54 0.40 assign (resid 9 and name HD* ) (resid 10 and name HN ) 5.50 3.70 0.40 assign (resid 9 and name HD* ) (resid 19 and name HA1 ) 5.50 3.70 0.40 assign (resid 9 and name HD* ) (resid 19 and name HA2 ) 5.47 3.67 0.40 assign (resid 9 and name HD* ) (resid 37 and name HB* ) 5.41 3.61 0.40 assign (resid 9 and name HD* ) (resid 37 and name HD* ) 5.34 3.54 0.40 assign (resid 9 and name HD* ) (resid 37 and name HG2 ) 5.50 3.70 0.40 assign (resid 9 and name HD* ) (resid 40 and name HB2 ) 5.47 3.67 0.40 assign (resid 9 and name HD* ) (resid 41 and name HA ) 5.35 3.55 0.40 assign (resid 9 and name HE* ) (resid 19 and name HA1 ) 5.22 3.42 0.40 assign (resid 9 and name HE* ) (resid 19 and name HA2 ) 4.72 2.92 0.40 assign (resid 9 and name HE* ) (resid 37 and name HA ) 5.50 3.70 0.40 assign (resid 9 and name HE* ) (resid 37 and name HB* ) 4.72 2.92 0.40 assign (resid 9 and name HE* ) (resid 37 and name HD* ) 4.99 3.19 0.40 assign (resid 9 and name HE* ) (resid 37 and name HE2 ) 5.43 3.63 0.40 assign (resid 9 and name HE* ) (resid 37 and name HG1 ) 4.73 2.93 0.40 assign (resid 9 and name HE* ) (resid 37 and name HG2 ) 5.06 3.26 0.40 assign (resid 9 and name HE* ) (resid 38 and name HA ) 4.43 2.63 0.40 assign (resid 9 and name HE* ) (resid 38 and name HB1 ) 5.50 3.70 0.40 assign (resid 9 and name HE* ) (resid 38 and name HB2 ) 5.50 3.70 0.40 assign (resid 9 and name HE* ) (resid 38 and name HG1 ) 5.05 3.25 0.40 assign (resid 9 and name HE* ) (resid 38 and name HG2 ) 5.50 3.70 0.40 assign (resid 9 and name HE* ) (resid 41 and name HA ) 5.50 3.70 0.40 assign (resid 9 and name HE* ) (resid 41 and name HB1 ) 4.85 3.05 0.40 assign (resid 9 and name HE* ) (resid 41 and name HB2 ) 4.94 3.14 0.40 assign (resid 9 and name HE* ) (resid 41 and name HD1* ) 3.97 2.17 0.40 assign (resid 9 and name HE* ) (resid 41 and name HD2* ) 4.45 2.65 0.40 assign (resid 9 and name HE* ) (resid 41 and name HD* ) 5.50 3.70 0.40 assign (resid 9 and name HE* ) (resid 41 and name HG ) 4.66 2.86 0.40 assign (resid 9 and name HE* ) (resid 41 and name HN ) 5.50 3.70 0.40 assign (resid 9 and name HN ) (resid 16 and name HA ) 5.50 3.70 0.40 assign (resid 9 and name HN ) (resid 16 and name HB ) 5.10 3.30 0.40 assign (resid 9 and name HN ) (resid 16 and name HG2* ) 5.50 3.70 0.40 assign (resid 9 and name HN ) (resid 17 and name HB2 ) 5.09 3.29 0.40 assign (resid 9 and name HN ) (resid 17 and name HN ) 5.40 3.60 0.40 assign (resid 9 and name HN ) (resid 18 and name HA ) 5.24 3.44 0.40 assign (resid 10 and name HA ) (resid 10 and name HD1 ) 4.66 2.86 0.40 assign (resid 10 and name HA ) (resid 10 and name HD2 ) 5.03 3.23 0.40 assign (resid 10 and name HA ) (resid 15 and name HN ) 5.42 3.62 0.40 assign (resid 10 and name HA ) (resid 16 and name HA ) 3.92 2.12 0.40 assign (resid 10 and name HA ) (resid 16 and name HB ) 5.11 3.31 0.40 assign (resid 10 and name HA ) (resid 16 and name HG2* ) 3.74 1.94 0.40 assign (resid 10 and name HA ) (resid 16 and name HN ) 5.50 3.70 0.40 assign (resid 10 and name HA ) (resid 17 and name HN ) 5.22 3.42 0.40 assign (resid 10 and name HA ) (resid 42 and name HG1* ) 4.33 2.53 0.40 assign (resid 10 and name HB1 ) (resid 10 and name HD1 ) 4.20 2.40 0.40 assign (resid 10 and name HB1 ) (resid 10 and name HD2 ) 4.11 2.31 0.40 assign (resid 10 and name HB1 ) (resid 10 and name HE ) 4.78 2.98 0.40 assign (resid 10 and name HB1 ) (resid 11 and name HN ) 5.06 3.26 0.40 assign (resid 10 and name HB1 ) (resid 16 and name HA ) 5.50 3.70 0.40 assign (resid 10 and name HB1 ) (resid 16 and name HB ) 5.50 3.70 0.40 assign (resid 10 and name HB1 ) (resid 16 and name HG2* ) 4.09 2.29 0.40 assign (resid 10 and name HB1 ) (resid 42 and name HB ) 4.75 2.95 0.40 assign (resid 10 and name HB1 ) (resid 42 and name HG1* ) 3.81 2.01 0.40 assign (resid 10 and name HB1 ) (resid 42 and name HG2* ) 5.14 3.34 0.40 assign (resid 10 and name HB2 ) (resid 10 and name HE ) 4.71 2.91 0.40 assign (resid 10 and name HB2 ) (resid 11 and name HN ) 5.37 3.57 0.40 assign (resid 10 and name HB2 ) (resid 16 and name HA ) 5.50 3.70 0.40 assign (resid 10 and name HB2 ) (resid 16 and name HG2* ) 4.44 2.64 0.40 assign (resid 10 and name HB2 ) (resid 42 and name HB ) 5.44 3.64 0.40 assign (resid 10 and name HB2 ) (resid 42 and name HG1* ) 3.88 2.08 0.40 assign (resid 10 and name HB2 ) (resid 42 and name HG2* ) 4.94 3.14 0.40 assign (resid 10 and name HD1 ) (resid 14 and name HA2 ) 5.06 3.26 0.40 assign (resid 10 and name HD1 ) (resid 16 and name HA ) 5.50 3.70 0.40 assign (resid 10 and name HD1 ) (resid 16 and name HG2* ) 4.37 2.57 0.40 assign (resid 10 and name HD1 ) (resid 42 and name HB ) 5.50 3.70 0.40 assign (resid 10 and name HD1 ) (resid 42 and name HG1* ) 3.58 1.78 0.40 assign (resid 10 and name HD1 ) (resid 42 and name HG2* ) 4.54 2.74 0.40 assign (resid 10 and name HD2 ) (resid 14 and name HA1 ) 5.31 3.51 0.40 assign (resid 10 and name HD2 ) (resid 14 and name HA2 ) 4.83 3.03 0.40 assign (resid 10 and name HD2 ) (resid 15 and name HA ) 5.39 3.59 0.40 assign (resid 10 and name HD2 ) (resid 16 and name HA ) 5.50 3.70 0.40 assign (resid 10 and name HD2 ) (resid 16 and name HB ) 5.50 3.70 0.40 assign (resid 10 and name HD2 ) (resid 16 and name HG2* ) 3.68 1.88 0.40 assign (resid 10 and name HD2 ) (resid 42 and name HG1* ) 4.47 2.67 0.40 assign (resid 10 and name HE ) (resid 14 and name HA2 ) 5.50 3.70 0.40 assign (resid 10 and name HE ) (resid 16 and name HG2* ) 5.41 3.61 0.40 assign (resid 10 and name HE ) (resid 42 and name HB ) 5.50 3.70 0.40 assign (resid 10 and name HE ) (resid 42 and name HG1* ) 4.76 2.96 0.40 assign (resid 10 and name HE ) (resid 42 and name HG2* ) 5.25 3.45 0.40 assign (resid 10 and name HG1 ) (resid 11 and name HN ) 4.86 3.06 0.40 assign (resid 10 and name HG1 ) (resid 14 and name HA1 ) 5.50 3.70 0.40 assign (resid 10 and name HG1 ) (resid 14 and name HA2 ) 5.39 3.59 0.40 assign (resid 10 and name HG1 ) (resid 15 and name HG2 ) 5.50 3.70 0.40 assign (resid 10 and name HG1 ) (resid 16 and name HA ) 5.50 3.70 0.40 assign (resid 10 and name HG1 ) (resid 16 and name HB ) 5.50 3.70 0.40 assign (resid 10 and name HG1 ) (resid 42 and name HG1* ) 4.51 2.71 0.40 assign (resid 10 and name HG2 ) (resid 11 and name HN ) 4.87 3.07 0.40 assign (resid 10 and name HG2 ) (resid 14 and name HA1 ) 5.26 3.46 0.40 assign (resid 10 and name HG2 ) (resid 14 and name HA2 ) 5.15 3.35 0.40 assign (resid 10 and name HG2 ) (resid 16 and name HA ) 5.50 3.70 0.40 assign (resid 10 and name HG2 ) (resid 16 and name HG2* ) 4.57 2.77 0.40 assign (resid 10 and name HG2 ) (resid 42 and name HG1* ) 4.62 2.82 0.40 assign (resid 10 and name HN ) (resid 10 and name HD1 ) 5.50 3.70 0.40 assign (resid 10 and name HN ) (resid 40 and name HB2 ) 4.53 2.73 0.40 assign (resid 10 and name HN ) (resid 41 and name HA ) 5.30 3.50 0.40 assign (resid 10 and name HN ) (resid 42 and name HB ) 5.50 3.70 0.40 assign (resid 10 and name HN ) (resid 42 and name HG1* ) 4.53 2.73 0.40 assign (resid 10 and name HN ) (resid 42 and name HG2* ) 5.50 3.70 0.40 assign (resid 10 and name HN ) (resid 42 and name HN ) 5.05 3.25 0.40 assign (resid 11 and name HA ) (resid 12 and name HA ) 4.84 3.04 0.40 assign (resid 11 and name HA ) (resid 12 and name HB* ) 4.82 3.02 0.40 assign (resid 11 and name HA ) (resid 12 and name HG2 ) 5.24 3.44 0.40 assign (resid 11 and name HA ) (resid 13 and name HN ) 5.02 3.22 0.40 assign (resid 11 and name HA ) (resid 40 and name HD* ) 4.16 2.36 0.40 assign (resid 11 and name HA ) (resid 40 and name HE* ) 5.15 3.35 0.40 assign (resid 11 and name HB1 ) (resid 12 and name HN ) 4.43 2.63 0.40 assign (resid 11 and name HB1 ) (resid 15 and name HE22 ) 5.50 3.70 0.40 assign (resid 11 and name HB1 ) (resid 26 and name HZ2 ) 5.50 3.70 0.40 assign (resid 11 and name HB1 ) (resid 40 and name HB2 ) 5.50 3.70 0.40 assign (resid 11 and name HB1 ) (resid 40 and name HE* ) 5.50 3.70 0.40 assign (resid 11 and name HB2 ) (resid 12 and name HA ) 4.88 3.08 0.40 assign (resid 11 and name HB2 ) (resid 12 and name HB* ) 4.66 2.86 0.40 assign (resid 11 and name HB2 ) (resid 12 and name HG2 ) 5.50 3.70 0.40 assign (resid 11 and name HB2 ) (resid 12 and name HN ) 4.06 2.26 0.40 assign (resid 11 and name HB2 ) (resid 15 and name HE22 ) 5.50 3.70 0.40 assign (resid 11 and name HB2 ) (resid 40 and name HE* ) 5.50 3.70 0.40 assign (resid 11 and name HD21 ) (resid 12 and name HG2 ) 5.36 3.56 0.40 assign (resid 11 and name HD21 ) (resid 15 and name HA ) 5.39 3.59 0.40 assign (resid 11 and name HD21 ) (resid 15 and name HB2 ) 5.50 3.70 0.40 assign (resid 11 and name HD21 ) (resid 15 and name HG1 ) 4.67 2.87 0.40 assign (resid 11 and name HD21 ) (resid 15 and name HG2 ) 4.12 2.32 0.40 assign (resid 11 and name HD22 ) (resid 13 and name HB2 ) 5.50 3.70 0.40 assign (resid 11 and name HD22 ) (resid 13 and name HG* ) 5.50 3.70 0.40 assign (resid 11 and name HD22 ) (resid 15 and name HA ) 5.50 3.70 0.40 assign (resid 11 and name HD22 ) (resid 15 and name HB1 ) 5.50 3.70 0.40 assign (resid 11 and name HD22 ) (resid 15 and name HG1 ) 4.89 3.09 0.40 assign (resid 11 and name HD22 ) (resid 15 and name HG2 ) 4.68 2.88 0.40 assign (resid 11 and name HD22 ) (resid 16 and name HA ) 5.50 3.70 0.40 assign (resid 11 and name HN ) (resid 16 and name HA ) 4.83 3.03 0.40 assign (resid 11 and name HN ) (resid 16 and name HG2* ) 4.71 2.91 0.40 assign (resid 11 and name HN ) (resid 42 and name HG1* ) 5.50 3.70 0.40 assign (resid 12 and name HA ) (resid 12 and name HB1 ) 3.02 1.22 0.40 assign (resid 12 and name HA ) (resid 12 and name HB2 ) 2.77 0.97 0.40 assign (resid 12 and name HA ) (resid 12 and name HB* ) 3.02 1.22 0.40 assign (resid 12 and name HA ) (resid 12 and name HG1 ) 4.07 2.27 0.40 assign (resid 12 and name HA ) (resid 12 and name HG2 ) 3.63 1.83 0.40 assign (resid 12 and name HA ) (resid 14 and name HN ) 4.51 2.71 0.40 assign (resid 12 and name HB1 ) (resid 12 and name HG2 ) 3.00 1.20 0.40 assign (resid 12 and name HB2 ) (resid 12 and name HG1 ) 2.65 0.85 0.40 assign (resid 12 and name HB* ) (resid 13 and name HA ) 4.33 2.53 0.40 assign (resid 12 and name HB* ) (resid 13 and name HN ) 4.04 2.24 0.40 assign (resid 12 and name HB* ) (resid 14 and name HN ) 4.90 3.10 0.40 assign (resid 12 and name HG1 ) (resid 13 and name HA ) 4.96 3.16 0.40 assign (resid 12 and name HG1 ) (resid 13 and name HN ) 4.60 2.80 0.40 assign (resid 12 and name HG1 ) (resid 14 and name HN ) 5.50 3.70 0.40 assign (resid 12 and name HG2 ) (resid 13 and name HA ) 4.71 2.91 0.40 assign (resid 12 and name HG2 ) (resid 13 and name HN ) 4.55 2.75 0.40 assign (resid 12 and name HG2 ) (resid 14 and name HN ) 5.50 3.70 0.40 assign (resid 12 and name HN ) (resid 12 and name HB1 ) 3.56 1.76 0.40 assign (resid 12 and name HN ) (resid 12 and name HB* ) 3.59 1.79 0.40 assign (resid 12 and name HN ) (resid 12 and name HG1 ) 4.03 2.23 0.40 assign (resid 12 and name HN ) (resid 12 and name HG2 ) 4.02 2.22 0.40 assign (resid 12 and name HN ) (resid 13 and name HA ) 5.12 3.32 0.40 assign (resid 12 and name HN ) (resid 13 and name HG* ) 4.99 3.19 0.40 assign (resid 12 and name HN ) (resid 13 and name HN ) 4.09 2.29 0.40 assign (resid 12 and name HN ) (resid 14 and name HN ) 5.48 3.68 0.40 assign (resid 13 and name HA ) (resid 13 and name HG* ) 2.85 1.05 0.40 assign (resid 13 and name HB1 ) (resid 13 and name HG* ) 2.91 1.11 0.40 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 4.91 3.11 0.40 assign (resid 13 and name HB1 ) (resid 15 and name HB1 ) 5.50 3.70 0.40 assign (resid 13 and name HB1 ) (resid 15 and name HE21 ) 5.41 3.61 0.40 assign (resid 13 and name HB1 ) (resid 15 and name HE22 ) 5.50 3.70 0.40 assign (resid 13 and name HB1 ) (resid 15 and name HG2 ) 4.91 3.11 0.40 assign (resid 13 and name HB1 ) (resid 15 and name HN ) 4.40 2.60 0.40 assign (resid 13 and name HB2 ) (resid 14 and name HA1 ) 5.50 3.70 0.40 assign (resid 13 and name HB2 ) (resid 15 and name HB1 ) 5.50 3.70 0.40 assign (resid 13 and name HB2 ) (resid 15 and name HE21 ) 5.50 3.70 0.40 assign (resid 13 and name HB2 ) (resid 15 and name HE22 ) 5.50 3.70 0.40 assign (resid 13 and name HB2 ) (resid 15 and name HN ) 4.50 2.70 0.40 assign (resid 13 and name HG* ) (resid 14 and name HN ) 4.62 2.82 0.40 assign (resid 13 and name HG* ) (resid 15 and name HE21 ) 4.85 3.05 0.40 assign (resid 13 and name HG* ) (resid 15 and name HE22 ) 5.22 3.42 0.40 assign (resid 13 and name HN ) (resid 13 and name HB1 ) 3.90 2.10 0.40 assign (resid 13 and name HN ) (resid 13 and name HB2 ) 4.10 2.30 0.40 assign (resid 13 and name HN ) (resid 13 and name HG* ) 3.56 1.76 0.40 assign (resid 13 and name HN ) (resid 14 and name HA1 ) 5.14 3.34 0.40 assign (resid 13 and name HN ) (resid 14 and name HA2 ) 5.48 3.68 0.40 assign (resid 13 and name HN ) (resid 14 and name HN ) 3.87 2.07 0.40 assign (resid 13 and name HN ) (resid 15 and name HE21 ) 5.50 3.70 0.40 assign (resid 13 and name HN ) (resid 15 and name HE22 ) 5.38 3.58 0.40 assign (resid 13 and name HN ) (resid 15 and name HN ) 5.21 3.41 0.40 assign (resid 14 and name HA1 ) (resid 15 and name HA ) 4.82 3.02 0.40 assign (resid 14 and name HA1 ) (resid 15 and name HG2 ) 5.50 3.70 0.40 assign (resid 14 and name HA1 ) (resid 16 and name HG2* ) 5.26 3.46 0.40 assign (resid 14 and name HA2 ) (resid 16 and name HG2* ) 5.50 3.70 0.40 assign (resid 15 and name HA ) (resid 15 and name HG1 ) 4.19 2.39 0.40 assign (resid 15 and name HA ) (resid 15 and name HG2 ) 3.68 1.88 0.40 assign (resid 15 and name HA ) (resid 16 and name HA ) 5.24 3.44 0.40 assign (resid 15 and name HA ) (resid 16 and name HG2* ) 4.90 3.10 0.40 assign (resid 15 and name HA ) (resid 16 and name HN ) 3.37 1.57 0.40 assign (resid 15 and name HB1 ) (resid 15 and name HE21 ) 5.40 3.60 0.40 assign (resid 15 and name HB1 ) (resid 15 and name HE22 ) 5.50 3.70 0.40 assign (resid 15 and name HB1 ) (resid 16 and name HG2* ) 5.50 3.70 0.40 assign (resid 15 and name HB1 ) (resid 16 and name HN ) 5.19 3.39 0.40 assign (resid 15 and name HB1 ) (resid 26 and name HE1 ) 5.50 3.70 0.40 assign (resid 15 and name HB2 ) (resid 15 and name HE21 ) 5.50 3.70 0.40 assign (resid 15 and name HB2 ) (resid 15 and name HE22 ) 5.50 3.70 0.40 assign (resid 15 and name HB2 ) (resid 16 and name HN ) 4.76 2.96 0.40 assign (resid 15 and name HB2 ) (resid 26 and name HD1 ) 5.50 3.70 0.40 assign (resid 15 and name HB2 ) (resid 26 and name HE1 ) 5.50 3.70 0.40 assign (resid 15 and name HG1 ) (resid 16 and name HG2* ) 5.50 3.70 0.40 assign (resid 15 and name HG1 ) (resid 16 and name HN ) 4.73 2.93 0.40 assign (resid 15 and name HG1 ) (resid 26 and name HE1 ) 5.50 3.70 0.40 assign (resid 15 and name HG2 ) (resid 16 and name HG2* ) 5.50 3.70 0.40 assign (resid 15 and name HG2 ) (resid 16 and name HN ) 4.62 2.82 0.40 assign (resid 15 and name HG2 ) (resid 26 and name HE1 ) 5.50 3.70 0.40 assign (resid 15 and name HN ) (resid 15 and name HE21 ) 4.93 3.13 0.40 assign (resid 15 and name HN ) (resid 15 and name HE22 ) 5.50 3.70 0.40 assign (resid 15 and name HN ) (resid 15 and name HG1 ) 3.98 2.18 0.40 assign (resid 15 and name HN ) (resid 15 and name HG2 ) 3.98 2.18 0.40 assign (resid 15 and name HN ) (resid 16 and name HN ) 4.56 2.76 0.40 assign (resid 16 and name HA ) (resid 16 and name HG2* ) 3.62 1.82 0.40 assign (resid 16 and name HA ) (resid 17 and name HA ) 5.50 3.70 0.40 assign (resid 16 and name HA ) (resid 17 and name HB2 ) 5.50 3.70 0.40 assign (resid 16 and name HA ) (resid 42 and name HG1* ) 5.50 3.70 0.40 assign (resid 16 and name HB ) (resid 17 and name HN ) 4.23 2.43 0.40 assign (resid 16 and name HG2* ) (resid 17 and name HA ) 5.50 3.70 0.40 assign (resid 16 and name HG2* ) (resid 17 and name HN ) 4.32 2.52 0.40 assign (resid 16 and name HG2* ) (resid 42 and name HG1* ) 5.08 3.28 0.40 assign (resid 16 and name HG2* ) (resid 42 and name HG2* ) 4.67 2.87 0.40 assign (resid 16 and name HN ) (resid 16 and name HG2* ) 4.22 2.42 0.40 assign (resid 17 and name HA ) (resid 17 and name HD1 ) 4.28 2.48 0.40 assign (resid 17 and name HA ) (resid 17 and name HE3 ) 5.50 3.70 0.40 assign (resid 17 and name HA ) (resid 18 and name HA ) 5.21 3.41 0.40 assign (resid 17 and name HA ) (resid 18 and name HB* ) 5.10 3.30 0.40 assign (resid 17 and name HA ) (resid 24 and name HG2 ) 5.50 3.70 0.40 assign (resid 17 and name HA ) (resid 26 and name HE1 ) 5.50 3.70 0.40 assign (resid 17 and name HB1 ) (resid 18 and name HN ) 5.39 3.59 0.40 assign (resid 17 and name HB1 ) (resid 24 and name HG1 ) 5.50 3.70 0.40 assign (resid 17 and name HB1 ) (resid 24 and name HG2 ) 5.50 3.70 0.40 assign (resid 17 and name HB1 ) (resid 26 and name HZ2 ) 5.50 3.70 0.40 assign (resid 17 and name HB2 ) (resid 18 and name HN ) 5.44 3.64 0.40 assign (resid 17 and name HB2 ) (resid 24 and name HD1 ) 5.50 3.70 0.40 assign (resid 17 and name HB2 ) (resid 24 and name HG1 ) 5.50 3.70 0.40 assign (resid 17 and name HB2 ) (resid 24 and name HG2 ) 5.11 3.31 0.40 assign (resid 17 and name HB2 ) (resid 26 and name HZ2 ) 5.50 3.70 0.40 assign (resid 17 and name HD1 ) (resid 18 and name HA ) 5.50 3.70 0.40 assign (resid 17 and name HD1 ) (resid 18 and name HB* ) 5.50 3.70 0.40 assign (resid 17 and name HD1 ) (resid 18 and name HN ) 4.93 3.13 0.40 assign (resid 17 and name HE1 ) (resid 20 and name HG1* ) 5.50 3.70 0.40 assign (resid 17 and name HE1 ) (resid 20 and name HG2* ) 5.50 3.70 0.40 assign (resid 17 and name HE1 ) (resid 20 and name HN ) 5.16 3.36 0.40 assign (resid 17 and name HE3 ) (resid 24 and name HG1 ) 5.50 3.70 0.40 assign (resid 17 and name HE3 ) (resid 24 and name HG2 ) 5.50 3.70 0.40 assign (resid 17 and name HE3 ) (resid 27 and name HD1* ) 4.52 2.72 0.40 assign (resid 17 and name HE3 ) (resid 27 and name HD2* ) 4.72 2.92 0.40 assign (resid 17 and name HE3 ) (resid 37 and name HD* ) 5.50 3.70 0.40 assign (resid 17 and name HE3 ) (resid 37 and name HE2 ) 5.50 3.70 0.40 assign (resid 17 and name HH2 ) (resid 23 and name HG1 ) 5.50 3.70 0.40 assign (resid 17 and name HH2 ) (resid 23 and name HG2 ) 5.50 3.70 0.40 assign (resid 17 and name HH2 ) (resid 37 and name HD* ) 5.50 3.70 0.40 assign (resid 17 and name HH2 ) (resid 37 and name HE2 ) 5.50 3.70 0.40 assign (resid 17 and name HN ) (resid 18 and name HA ) 5.50 3.70 0.40 assign (resid 17 and name HN ) (resid 18 and name HN ) 5.43 3.63 0.40 assign (resid 17 and name HN ) (resid 26 and name HZ2 ) 4.88 3.08 0.40 assign (resid 17 and name HZ2 ) (resid 20 and name HA ) 5.50 3.70 0.40 assign (resid 17 and name HZ2 ) (resid 20 and name HB ) 5.50 3.70 0.40 assign (resid 17 and name HZ2 ) (resid 20 and name HG1* ) 5.50 3.70 0.40 assign (resid 17 and name HZ2 ) (resid 20 and name HG2* ) 5.50 3.70 0.40 assign (resid 17 and name HZ3 ) (resid 27 and name HD1* ) 4.39 2.59 0.40 assign (resid 17 and name HZ3 ) (resid 27 and name HD2* ) 5.50 3.70 0.40 assign (resid 17 and name HZ3 ) (resid 37 and name HD* ) 4.74 2.94 0.40 assign (resid 17 and name HZ3 ) (resid 37 and name HE2 ) 4.61 2.81 0.40 assign (resid 17 and name HZ3 ) (resid 37 and name HG1 ) 5.50 3.70 0.40 assign (resid 18 and name HA ) (resid 19 and name HA1 ) 5.50 3.70 0.40 assign (resid 18 and name HA ) (resid 19 and name HA2 ) 5.50 3.70 0.40 assign (resid 18 and name HB* ) (resid 19 and name HA1 ) 5.50 3.70 0.40 assign (resid 18 and name HB* ) (resid 19 and name HA2 ) 4.71 2.91 0.40 assign (resid 18 and name HB* ) (resid 20 and name HB ) 5.50 3.70 0.40 assign (resid 18 and name HB* ) (resid 20 and name HG1* ) 4.77 2.97 0.40 assign (resid 18 and name HB* ) (resid 20 and name HG2* ) 5.50 3.70 0.40 assign (resid 18 and name HB* ) (resid 20 and name HN ) 5.50 3.70 0.40 assign (resid 18 and name HN ) (resid 20 and name HN ) 5.28 3.48 0.40 assign (resid 19 and name HA1 ) (resid 20 and name HB ) 5.50 3.70 0.40 assign (resid 19 and name HA1 ) (resid 20 and name HG1* ) 5.50 3.70 0.40 assign (resid 19 and name HA2 ) (resid 20 and name HB ) 5.50 3.70 0.40 assign (resid 20 and name HA ) (resid 20 and name HG1* ) 3.25 1.45 0.40 assign (resid 20 and name HA ) (resid 20 and name HG2* ) 3.69 1.89 0.40 assign (resid 20 and name HA ) (resid 21 and name HA2 ) 4.48 2.68 0.40 assign (resid 20 and name HB ) (resid 21 and name HA1 ) 5.50 3.70 0.40 assign (resid 20 and name HG1* ) (resid 21 and name HN ) 4.65 2.85 0.40 assign (resid 20 and name HG2* ) (resid 21 and name HA1 ) 5.50 3.70 0.40 assign (resid 20 and name HG2* ) (resid 21 and name HA2 ) 5.50 3.70 0.40 assign (resid 20 and name HG2* ) (resid 21 and name HN ) 4.51 2.71 0.40 assign (resid 20 and name HN ) (resid 20 and name HG1* ) 3.92 2.12 0.40 assign (resid 20 and name HN ) (resid 20 and name HG2* ) 4.86 3.06 0.40 assign (resid 21 and name HA2 ) (resid 22 and name HA ) 5.06 3.26 0.40 assign (resid 22 and name HA ) (resid 22 and name HE ) 5.50 3.70 0.40 assign (resid 22 and name HD1 ) (resid 24 and name HA ) 5.50 3.70 0.40 assign (resid 22 and name HD1 ) (resid 24 and name HD1 ) 5.50 3.70 0.40 assign (resid 22 and name HN ) (resid 22 and name HD2 ) 5.50 3.70 0.40 assign (resid 23 and name HA ) (resid 24 and name HB2 ) 5.50 3.70 0.40 assign (resid 23 and name HA ) (resid 24 and name HG1 ) 5.46 3.66 0.40 assign (resid 23 and name HA ) (resid 27 and name HB1 ) 5.50 3.70 0.40 assign (resid 23 and name HA ) (resid 27 and name HD1* ) 5.32 3.52 0.40 assign (resid 23 and name HB1 ) (resid 23 and name HE22 ) 5.50 3.70 0.40 assign (resid 23 and name HB1 ) (resid 24 and name HD1 ) 5.50 3.70 0.40 assign (resid 23 and name HB1 ) (resid 24 and name HD2 ) 5.50 3.70 0.40 assign (resid 23 and name HB1 ) (resid 27 and name HB1 ) 5.29 3.49 0.40 assign (resid 23 and name HB1 ) (resid 27 and name HD1* ) 5.50 3.70 0.40 assign (resid 23 and name HE21 ) (resid 27 and name HD1* ) 4.88 3.08 0.40 assign (resid 23 and name HE22 ) (resid 31 and name HD1* ) 5.50 3.70 0.40 assign (resid 23 and name HE22 ) (resid 31 and name HD2* ) 4.70 2.90 0.40 assign (resid 23 and name HG1 ) (resid 27 and name HD1* ) 5.50 3.70 0.40 assign (resid 23 and name HG1 ) (resid 28 and name HA ) 4.14 2.34 0.40 assign (resid 23 and name HG2 ) (resid 27 and name HD1* ) 5.50 3.70 0.40 assign (resid 24 and name HA ) (resid 25 and name HA ) 5.27 3.47 0.40 assign (resid 24 and name HA ) (resid 25 and name HB1 ) 5.50 3.70 0.40 assign (resid 24 and name HA ) (resid 25 and name HB* ) 5.50 3.70 0.40 assign (resid 24 and name HA ) (resid 26 and name HN ) 5.50 3.70 0.40 assign (resid 24 and name HB1 ) (resid 25 and name HB* ) 5.50 3.70 0.40 assign (resid 24 and name HB1 ) (resid 26 and name HD1 ) 5.23 3.43 0.40 assign (resid 24 and name HB1 ) (resid 26 and name HE1 ) 5.49 3.69 0.40 assign (resid 24 and name HB1 ) (resid 26 and name HN ) 5.13 3.33 0.40 assign (resid 24 and name HB1 ) (resid 27 and name HB1 ) 5.50 3.70 0.40 assign (resid 24 and name HB1 ) (resid 27 and name HN ) 5.50 3.70 0.40 assign (resid 24 and name HB2 ) (resid 26 and name HD1 ) 5.21 3.41 0.40 assign (resid 24 and name HB2 ) (resid 26 and name HE1 ) 5.50 3.70 0.40 assign (resid 24 and name HB2 ) (resid 26 and name HN ) 5.50 3.70 0.40 assign (resid 24 and name HB2 ) (resid 27 and name HB1 ) 5.50 3.70 0.40 assign (resid 24 and name HB2 ) (resid 27 and name HN ) 5.50 3.70 0.40 assign (resid 24 and name HD1 ) (resid 26 and name HZ2 ) 5.50 3.70 0.40 assign (resid 24 and name HD1 ) (resid 27 and name HB1 ) 5.50 3.70 0.40 assign (resid 24 and name HD1 ) (resid 27 and name HD1* ) 5.50 3.70 0.40 assign (resid 24 and name HD2 ) (resid 27 and name HB1 ) 5.50 3.70 0.40 assign (resid 24 and name HD2 ) (resid 27 and name HB2 ) 5.50 3.70 0.40 assign (resid 24 and name HD2 ) (resid 27 and name HD1* ) 5.07 3.27 0.40 assign (resid 24 and name HG1 ) (resid 25 and name HN ) 5.50 3.70 0.40 assign (resid 24 and name HG1 ) (resid 26 and name HE1 ) 5.50 3.70 0.40 assign (resid 24 and name HG1 ) (resid 26 and name HZ2 ) 5.50 3.70 0.40 assign (resid 24 and name HG1 ) (resid 27 and name HB1 ) 5.50 3.70 0.40 assign (resid 24 and name HG1 ) (resid 27 and name HD1* ) 5.50 3.70 0.40 assign (resid 24 and name HG1 ) (resid 27 and name HG ) 5.50 3.70 0.40 assign (resid 24 and name HG1 ) (resid 27 and name HN ) 5.50 3.70 0.40 assign (resid 24 and name HG2 ) (resid 26 and name HE1 ) 5.50 3.70 0.40 assign (resid 24 and name HG2 ) (resid 26 and name HZ2 ) 5.50 3.70 0.40 assign (resid 24 and name HG2 ) (resid 27 and name HB1 ) 5.50 3.70 0.40 assign (resid 24 and name HG2 ) (resid 27 and name HB2 ) 5.50 3.70 0.40 assign (resid 24 and name HG2 ) (resid 27 and name HD1* ) 5.50 3.70 0.40 assign (resid 24 and name HG2 ) (resid 27 and name HN ) 5.50 3.70 0.40 assign (resid 25 and name HA ) (resid 25 and name HD* ) 3.46 1.66 0.40 assign (resid 25 and name HA ) (resid 25 and name HG1 ) 4.06 2.26 0.40 assign (resid 25 and name HA ) (resid 26 and name HA ) 5.37 3.57 0.40 assign (resid 25 and name HA ) (resid 27 and name HN ) 5.36 3.56 0.40 assign (resid 25 and name HA ) (resid 28 and name HD1 ) 4.41 2.61 0.40 assign (resid 25 and name HA ) (resid 28 and name HD2 ) 4.16 2.36 0.40 assign (resid 25 and name HA ) (resid 28 and name HE* ) 3.52 1.72 0.40 assign (resid 25 and name HA ) (resid 29 and name HG1 ) 5.05 3.25 0.40 assign (resid 25 and name HA ) (resid 29 and name HG2 ) 5.00 3.20 0.40 assign (resid 25 and name HB2 ) (resid 25 and name HD* ) 2.83 1.03 0.40 assign (resid 25 and name HB2 ) (resid 25 and name HE ) 5.12 3.32 0.40 assign (resid 25 and name HB2 ) (resid 26 and name HN ) 4.16 2.36 0.40 assign (resid 25 and name HB2 ) (resid 28 and name HE* ) 3.65 1.85 0.40 assign (resid 25 and name HB* ) (resid 25 and name HD* ) 3.06 1.26 0.40 assign (resid 25 and name HB* ) (resid 26 and name HN ) 4.72 2.92 0.40 assign (resid 25 and name HB* ) (resid 28 and name HE* ) 5.50 3.70 0.40 assign (resid 25 and name HD* ) (resid 26 and name HA ) 3.71 1.91 0.40 assign (resid 25 and name HD* ) (resid 26 and name HN ) 4.69 2.89 0.40 assign (resid 25 and name HD* ) (resid 28 and name HB* ) 5.50 3.70 0.40 assign (resid 25 and name HD* ) (resid 28 and name HD1 ) 5.50 3.70 0.40 assign (resid 25 and name HD* ) (resid 28 and name HD2 ) 5.50 3.70 0.40 assign (resid 25 and name HD* ) (resid 28 and name HE* ) 4.52 2.72 0.40 assign (resid 25 and name HD* ) (resid 28 and name HG2 ) 5.50 3.70 0.40 assign (resid 25 and name HD* ) (resid 29 and name HA ) 5.50 3.70 0.40 assign (resid 25 and name HD* ) (resid 29 and name HB* ) 5.50 3.70 0.40 assign (resid 25 and name HD* ) (resid 29 and name HG1 ) 4.14 2.34 0.40 assign (resid 25 and name HD* ) (resid 29 and name HG2 ) 4.23 2.43 0.40 assign (resid 25 and name HD* ) (resid 29 and name HN ) 5.08 3.28 0.40 assign (resid 25 and name HD* ) (resid 32 and name HD2* ) 5.50 3.70 0.40 assign (resid 25 and name HE ) (resid 26 and name HA ) 5.50 3.70 0.40 assign (resid 25 and name HG1 ) (resid 25 and name HD* ) 2.96 1.16 0.40 assign (resid 25 and name HG1 ) (resid 26 and name HA ) 5.31 3.51 0.40 assign (resid 25 and name HG1 ) (resid 26 and name HN ) 5.14 3.34 0.40 assign (resid 25 and name HG1 ) (resid 28 and name HE* ) 5.50 3.70 0.40 assign (resid 25 and name HG1 ) (resid 29 and name HG2 ) 4.46 2.66 0.40 assign (resid 25 and name HG1 ) (resid 29 and name HN ) 5.50 3.70 0.40 assign (resid 25 and name HG2 ) (resid 26 and name HN ) 5.20 3.40 0.40 assign (resid 25 and name HN ) (resid 25 and name HB2 ) 3.90 2.10 0.40 assign (resid 25 and name HN ) (resid 25 and name HB* ) 4.10 2.30 0.40 assign (resid 25 and name HN ) (resid 25 and name HG1 ) 4.63 2.83 0.40 assign (resid 25 and name HN ) (resid 25 and name HG2 ) 4.61 2.81 0.40 assign (resid 25 and name HN ) (resid 26 and name HN ) 4.48 2.68 0.40 assign (resid 26 and name HA ) (resid 26 and name HD1 ) 5.22 3.42 0.40 assign (resid 26 and name HA ) (resid 26 and name HE3 ) 4.89 3.09 0.40 assign (resid 26 and name HA ) (resid 27 and name HA ) 5.30 3.50 0.40 assign (resid 26 and name HA ) (resid 29 and name HB* ) 4.11 2.31 0.40 assign (resid 26 and name HA ) (resid 29 and name HG1 ) 5.50 3.70 0.40 assign (resid 26 and name HA ) (resid 29 and name HG2 ) 5.50 3.70 0.40 assign (resid 26 and name HA ) (resid 29 and name HN ) 5.27 3.47 0.40 assign (resid 26 and name HB2 ) (resid 27 and name HA ) 5.50 3.70 0.40 assign (resid 26 and name HE3 ) (resid 27 and name HA ) 4.69 2.89 0.40 assign (resid 26 and name HE3 ) (resid 27 and name HB1 ) 5.50 3.70 0.40 assign (resid 26 and name HE3 ) (resid 27 and name HB2 ) 5.50 3.70 0.40 assign (resid 26 and name HE3 ) (resid 30 and name HB* ) 5.22 3.42 0.40 assign (resid 26 and name HN ) (resid 26 and name HD1 ) 4.34 2.54 0.40 assign (resid 26 and name HN ) (resid 26 and name HE3 ) 5.39 3.59 0.40 assign (resid 26 and name HN ) (resid 27 and name HN ) 4.48 2.68 0.40 assign (resid 26 and name HN ) (resid 28 and name HN ) 5.25 3.45 0.40 assign (resid 26 and name HZ2 ) (resid 27 and name HA ) 5.50 3.70 0.40 assign (resid 26 and name HZ2 ) (resid 27 and name HD2* ) 5.33 3.53 0.40 assign (resid 26 and name HZ3 ) (resid 27 and name HA ) 5.36 3.56 0.40 assign (resid 26 and name HZ3 ) (resid 27 and name HD1* ) 5.50 3.70 0.40 assign (resid 26 and name HZ3 ) (resid 27 and name HD2* ) 4.18 2.38 0.40 assign (resid 26 and name HZ3 ) (resid 30 and name HB* ) 5.50 3.70 0.40 assign (resid 27 and name HA ) (resid 27 and name HD1* ) 4.38 2.58 0.40 assign (resid 27 and name HA ) (resid 27 and name HD2* ) 3.55 1.75 0.40 assign (resid 27 and name HA ) (resid 28 and name HA ) 5.50 3.70 0.40 assign (resid 27 and name HA ) (resid 28 and name HB* ) 5.50 3.70 0.40 assign (resid 27 and name HA ) (resid 29 and name HB* ) 5.46 3.66 0.40 assign (resid 27 and name HA ) (resid 29 and name HN ) 5.50 3.70 0.40 assign (resid 27 and name HA ) (resid 30 and name HB* ) 4.19 2.39 0.40 assign (resid 27 and name HA ) (resid 30 and name HN ) 4.52 2.72 0.40 assign (resid 27 and name HA ) (resid 31 and name HB1 ) 5.50 3.70 0.40 assign (resid 27 and name HA ) (resid 31 and name HN ) 5.50 3.70 0.40 assign (resid 27 and name HA ) (resid 40 and name HD* ) 5.50 3.70 0.40 assign (resid 27 and name HB1 ) (resid 27 and name HD1* ) 4.10 2.30 0.40 assign (resid 27 and name HB1 ) (resid 28 and name HA ) 5.50 3.70 0.40 assign (resid 27 and name HB1 ) (resid 28 and name HN ) 4.77 2.97 0.40 assign (resid 27 and name HB1 ) (resid 30 and name HB* ) 5.50 3.70 0.40 assign (resid 27 and name HB2 ) (resid 28 and name HN ) 5.42 3.62 0.40 assign (resid 27 and name HD1* ) (resid 28 and name HA ) 5.50 3.70 0.40 assign (resid 27 and name HD1* ) (resid 28 and name HB* ) 5.50 3.70 0.40 assign (resid 27 and name HD1* ) (resid 28 and name HG1 ) 5.50 3.70 0.40 assign (resid 27 and name HD1* ) (resid 28 and name HG2 ) 5.50 3.70 0.40 assign (resid 27 and name HD1* ) (resid 28 and name HN ) 5.50 3.70 0.40 assign (resid 27 and name HD1* ) (resid 29 and name HN ) 5.50 3.70 0.40 assign (resid 27 and name HD1* ) (resid 30 and name HB* ) 5.50 3.70 0.40 assign (resid 27 and name HD1* ) (resid 31 and name HD1* ) 4.91 3.11 0.40 assign (resid 27 and name HD1* ) (resid 31 and name HD2* ) 4.62 2.82 0.40 assign (resid 27 and name HD1* ) (resid 31 and name HG ) 5.50 3.70 0.40 assign (resid 27 and name HD1* ) (resid 37 and name HA ) 5.50 3.70 0.40 assign (resid 27 and name HD1* ) (resid 37 and name HB* ) 4.50 2.70 0.40 assign (resid 27 and name HD1* ) (resid 37 and name HD* ) 5.05 3.25 0.40 assign (resid 27 and name HD1* ) (resid 37 and name HE1 ) 4.68 2.88 0.40 assign (resid 27 and name HD1* ) (resid 37 and name HE2 ) 5.10 3.30 0.40 assign (resid 27 and name HD1* ) (resid 37 and name HG1 ) 5.50 3.70 0.40 assign (resid 27 and name HD1* ) (resid 37 and name HG2 ) 5.50 3.70 0.40 assign (resid 27 and name HD2* ) (resid 28 and name HA ) 5.40 3.60 0.40 assign (resid 27 and name HD2* ) (resid 29 and name HN ) 5.50 3.70 0.40 assign (resid 27 and name HD2* ) (resid 30 and name HA ) 5.50 3.70 0.40 assign (resid 27 and name HD2* ) (resid 30 and name HB* ) 4.14 2.34 0.40 assign (resid 27 and name HD2* ) (resid 30 and name HN ) 5.50 3.70 0.40 assign (resid 27 and name HD2* ) (resid 31 and name HA ) 5.50 3.70 0.40 assign (resid 27 and name HD2* ) (resid 31 and name HB1 ) 5.50 3.70 0.40 assign (resid 27 and name HD2* ) (resid 31 and name HG ) 5.06 3.26 0.40 assign (resid 27 and name HD2* ) (resid 31 and name HN ) 5.50 3.70 0.40 assign (resid 27 and name HD2* ) (resid 37 and name HA ) 4.40 2.60 0.40 assign (resid 27 and name HD2* ) (resid 37 and name HB* ) 5.04 3.24 0.40 assign (resid 27 and name HD2* ) (resid 37 and name HD* ) 5.50 3.70 0.40 assign (resid 27 and name HD2* ) (resid 37 and name HE1 ) 5.50 3.70 0.40 assign (resid 27 and name HD2* ) (resid 37 and name HE2 ) 5.50 3.70 0.40 assign (resid 27 and name HD2* ) (resid 37 and name HG1 ) 5.40 3.60 0.40 assign (resid 27 and name HD2* ) (resid 37 and name HG2 ) 5.50 3.70 0.40 assign (resid 27 and name HD2* ) (resid 37 and name HN ) 5.16 3.36 0.40 assign (resid 27 and name HD2* ) (resid 40 and name HD* ) 4.02 2.22 0.40 assign (resid 27 and name HD2* ) (resid 40 and name HE* ) 4.27 2.47 0.40 assign (resid 27 and name HG ) (resid 28 and name HN ) 5.06 3.26 0.40 assign (resid 27 and name HG ) (resid 37 and name HA ) 5.50 3.70 0.40 assign (resid 27 and name HG ) (resid 37 and name HB* ) 5.36 3.56 0.40 assign (resid 27 and name HG ) (resid 37 and name HE1 ) 5.50 3.70 0.40 assign (resid 27 and name HG ) (resid 37 and name HE2 ) 5.50 3.70 0.40 assign (resid 27 and name HN ) (resid 27 and name HD1* ) 4.92 3.12 0.40 assign (resid 27 and name HN ) (resid 27 and name HD2* ) 4.72 2.92 0.40 assign (resid 27 and name HN ) (resid 27 and name HG ) 5.50 3.70 0.40 assign (resid 27 and name HN ) (resid 28 and name HB* ) 5.06 3.26 0.40 assign (resid 27 and name HN ) (resid 28 and name HE* ) 5.50 3.70 0.40 assign (resid 27 and name HN ) (resid 28 and name HN ) 3.96 2.16 0.40 assign (resid 27 and name HN ) (resid 29 and name HB* ) 5.50 3.70 0.40 assign (resid 27 and name HN ) (resid 29 and name HG2 ) 5.50 3.70 0.40 assign (resid 27 and name HN ) (resid 29 and name HN ) 5.38 3.58 0.40 assign (resid 27 and name HN ) (resid 30 and name HB* ) 5.50 3.70 0.40 assign (resid 28 and name HA ) (resid 28 and name HG1 ) 3.70 1.90 0.40 assign (resid 28 and name HA ) (resid 28 and name HG2 ) 3.96 2.16 0.40 assign (resid 28 and name HA ) (resid 30 and name HB* ) 5.50 3.70 0.40 assign (resid 28 and name HA ) (resid 31 and name HA ) 5.50 3.70 0.40 assign (resid 28 and name HA ) (resid 31 and name HB1 ) 5.39 3.59 0.40 assign (resid 28 and name HA ) (resid 31 and name HB2 ) 5.23 3.43 0.40 assign (resid 28 and name HA ) (resid 31 and name HD2* ) 4.28 2.48 0.40 assign (resid 28 and name HA ) (resid 31 and name HG ) 5.30 3.50 0.40 assign (resid 28 and name HA ) (resid 31 and name HN ) 4.95 3.15 0.40 assign (resid 28 and name HA ) (resid 32 and name HD2* ) 5.50 3.70 0.40 assign (resid 28 and name HB* ) (resid 28 and name HE* ) 4.13 2.33 0.40 assign (resid 28 and name HB* ) (resid 29 and name HG1 ) 5.17 3.37 0.40 assign (resid 28 and name HB* ) (resid 29 and name HG2 ) 5.11 3.31 0.40 assign (resid 28 and name HB* ) (resid 29 and name HN ) 3.73 1.93 0.40 assign (resid 28 and name HB* ) (resid 31 and name HD2* ) 5.48 3.68 0.40 assign (resid 28 and name HB* ) (resid 31 and name HN ) 5.50 3.70 0.40 assign (resid 28 and name HD1 ) (resid 29 and name HG1 ) 5.50 3.70 0.40 assign (resid 28 and name HD1 ) (resid 29 and name HG2 ) 5.50 3.70 0.40 assign (resid 28 and name HD1 ) (resid 29 and name HN ) 5.50 3.70 0.40 assign (resid 28 and name HD1 ) (resid 31 and name HD2* ) 5.50 3.70 0.40 assign (resid 28 and name HD1 ) (resid 32 and name HD2* ) 5.15 3.35 0.40 assign (resid 28 and name HD2 ) (resid 28 and name HE* ) 2.72 0.92 0.40 assign (resid 28 and name HD2 ) (resid 29 and name HG2 ) 5.50 3.70 0.40 assign (resid 28 and name HD2 ) (resid 29 and name HN ) 5.50 3.70 0.40 assign (resid 28 and name HD2 ) (resid 32 and name HD* ) 5.50 3.70 0.40 assign (resid 28 and name HE* ) (resid 29 and name HA ) 5.01 3.21 0.40 assign (resid 28 and name HE* ) (resid 29 and name HB* ) 5.50 3.70 0.40 assign (resid 28 and name HE* ) (resid 29 and name HG1 ) 5.50 3.70 0.40 assign (resid 28 and name HE* ) (resid 29 and name HG2 ) 4.29 2.49 0.40 assign (resid 28 and name HE* ) (resid 29 and name HN ) 5.07 3.27 0.40 assign (resid 28 and name HE* ) (resid 31 and name HD2* ) 5.50 3.70 0.40 assign (resid 28 and name HE* ) (resid 32 and name HD2* ) 3.62 1.82 0.40 assign (resid 28 and name HE* ) (resid 32 and name HD* ) 5.50 3.70 0.40 assign (resid 28 and name HE* ) (resid 32 and name HG ) 5.50 3.70 0.40 assign (resid 28 and name HE* ) (resid 32 and name HN ) 5.50 3.70 0.40 assign (resid 28 and name HG1 ) (resid 28 and name HE* ) 3.49 1.69 0.40 assign (resid 28 and name HG1 ) (resid 29 and name HA ) 5.50 3.70 0.40 assign (resid 28 and name HG1 ) (resid 29 and name HG1 ) 5.50 3.70 0.40 assign (resid 28 and name HG1 ) (resid 29 and name HN ) 4.79 2.99 0.40 assign (resid 28 and name HG1 ) (resid 31 and name HD2* ) 5.36 3.56 0.40 assign (resid 28 and name HG1 ) (resid 32 and name HB1 ) 4.96 3.16 0.40 assign (resid 28 and name HG1 ) (resid 32 and name HB2 ) 5.50 3.70 0.40 assign (resid 28 and name HG1 ) (resid 32 and name HD2* ) 4.51 2.71 0.40 assign (resid 28 and name HG1 ) (resid 32 and name HG ) 5.50 3.70 0.40 assign (resid 28 and name HG1 ) (resid 32 and name HN ) 5.50 3.70 0.40 assign (resid 28 and name HG2 ) (resid 28 and name HE* ) 3.09 1.29 0.40 assign (resid 28 and name HG2 ) (resid 29 and name HN ) 4.99 3.19 0.40 assign (resid 28 and name HG2 ) (resid 31 and name HD2* ) 5.50 3.70 0.40 assign (resid 28 and name HG2 ) (resid 32 and name HD1* ) 4.50 2.70 0.40 assign (resid 28 and name HG2 ) (resid 32 and name HD2* ) 4.11 2.31 0.40 assign (resid 28 and name HN ) (resid 28 and name HB* ) 3.64 1.84 0.40 assign (resid 28 and name HN ) (resid 28 and name HD2 ) 5.00 3.20 0.40 assign (resid 28 and name HN ) (resid 28 and name HE* ) 4.53 2.73 0.40 assign (resid 28 and name HN ) (resid 28 and name HG2 ) 4.31 2.51 0.40 assign (resid 28 and name HN ) (resid 29 and name HN ) 4.25 2.45 0.40 assign (resid 29 and name HA ) (resid 29 and name HG1 ) 3.34 1.54 0.40 assign (resid 29 and name HA ) (resid 29 and name HG2 ) 3.77 1.97 0.40 assign (resid 29 and name HA ) (resid 30 and name HB* ) 5.50 3.70 0.40 assign (resid 29 and name HA ) (resid 31 and name HD2* ) 5.50 3.70 0.40 assign (resid 29 and name HA ) (resid 32 and name HB1 ) 4.23 2.43 0.40 assign (resid 29 and name HA ) (resid 32 and name HD1* ) 4.45 2.65 0.40 assign (resid 29 and name HA ) (resid 32 and name HD2* ) 3.37 1.57 0.40 assign (resid 29 and name HA ) (resid 32 and name HD* ) 5.50 3.70 0.40 assign (resid 29 and name HA ) (resid 32 and name HG ) 4.56 2.76 0.40 assign (resid 29 and name HA ) (resid 32 and name HN ) 4.40 2.60 0.40 assign (resid 29 and name HA ) (resid 33 and name HD21 ) 5.06 3.26 0.40 assign (resid 29 and name HA ) (resid 33 and name HD22 ) 5.50 3.70 0.40 assign (resid 29 and name HA ) (resid 33 and name HN ) 4.48 2.68 0.40 assign (resid 29 and name HB* ) (resid 29 and name HG2 ) 2.93 1.13 0.40 assign (resid 29 and name HB* ) (resid 30 and name HA ) 4.48 2.68 0.40 assign (resid 29 and name HB* ) (resid 30 and name HB* ) 4.31 2.51 0.40 assign (resid 29 and name HB* ) (resid 30 and name HN ) 3.71 1.91 0.40 assign (resid 29 and name HB* ) (resid 31 and name HN ) 5.14 3.34 0.40 assign (resid 29 and name HB* ) (resid 32 and name HD2* ) 4.81 3.01 0.40 assign (resid 29 and name HB* ) (resid 33 and name HD21 ) 5.26 3.46 0.40 assign (resid 29 and name HB* ) (resid 33 and name HD22 ) 5.50 3.70 0.40 assign (resid 29 and name HG1 ) (resid 32 and name HD1* ) 5.42 3.62 0.40 assign (resid 29 and name HG1 ) (resid 32 and name HD2* ) 4.43 2.63 0.40 assign (resid 29 and name HG2 ) (resid 32 and name HD1* ) 5.50 3.70 0.40 assign (resid 29 and name HG2 ) (resid 32 and name HD2* ) 4.73 2.93 0.40 assign (resid 29 and name HN ) (resid 29 and name HB* ) 3.48 1.68 0.40 assign (resid 29 and name HN ) (resid 29 and name HG1 ) 3.86 2.06 0.40 assign (resid 29 and name HN ) (resid 29 and name HG2 ) 3.76 1.96 0.40 assign (resid 29 and name HN ) (resid 30 and name HB* ) 4.65 2.85 0.40 assign (resid 29 and name HN ) (resid 30 and name HN ) 3.67 1.87 0.40 assign (resid 29 and name HN ) (resid 32 and name HD2* ) 5.50 3.70 0.40 assign (resid 29 and name HN ) (resid 32 and name HG ) 5.50 3.70 0.40 assign (resid 30 and name HA ) (resid 32 and name HD1* ) 5.50 3.70 0.40 assign (resid 30 and name HA ) (resid 32 and name HN ) 4.53 2.73 0.40 assign (resid 30 and name HA ) (resid 33 and name HA ) 5.36 3.56 0.40 assign (resid 30 and name HA ) (resid 33 and name HB1 ) 4.06 2.26 0.40 assign (resid 30 and name HA ) (resid 33 and name HB2 ) 3.98 2.18 0.40 assign (resid 30 and name HA ) (resid 33 and name HD21 ) 4.06 2.26 0.40 assign (resid 30 and name HA ) (resid 33 and name HD22 ) 5.15 3.35 0.40 assign (resid 30 and name HA ) (resid 33 and name HN ) 4.04 2.24 0.40 assign (resid 30 and name HA ) (resid 35 and name HE* ) 3.72 1.92 0.40 assign (resid 30 and name HA ) (resid 35 and name HG1 ) 5.39 3.59 0.40 assign (resid 30 and name HA ) (resid 40 and name HE* ) 5.09 3.29 0.40 assign (resid 30 and name HB* ) (resid 31 and name HA ) 4.59 2.79 0.40 assign (resid 30 and name HB* ) (resid 31 and name HB1 ) 4.45 2.65 0.40 assign (resid 30 and name HB* ) (resid 31 and name HN ) 4.10 2.30 0.40 assign (resid 30 and name HB* ) (resid 33 and name HB2 ) 4.91 3.11 0.40 assign (resid 30 and name HB* ) (resid 33 and name HN ) 4.55 2.75 0.40 assign (resid 30 and name HB* ) (resid 35 and name HG2 ) 4.76 2.96 0.40 assign (resid 30 and name HB* ) (resid 40 and name HE* ) 3.61 1.81 0.40 assign (resid 30 and name HN ) (resid 30 and name HB* ) 3.27 1.47 0.40 assign (resid 30 and name HN ) (resid 31 and name HB1 ) 5.50 3.70 0.40 assign (resid 30 and name HN ) (resid 31 and name HD2* ) 5.28 3.48 0.40 assign (resid 30 and name HN ) (resid 31 and name HN ) 3.84 2.04 0.40 assign (resid 30 and name HN ) (resid 32 and name HD1* ) 5.50 3.70 0.40 assign (resid 30 and name HN ) (resid 32 and name HD2* ) 5.50 3.70 0.40 assign (resid 30 and name HN ) (resid 32 and name HG ) 5.50 3.70 0.40 assign (resid 30 and name HN ) (resid 32 and name HN ) 5.17 3.37 0.40 assign (resid 31 and name HA ) (resid 31 and name HD1* ) 3.10 1.30 0.40 assign (resid 31 and name HA ) (resid 31 and name HD2* ) 4.03 2.23 0.40 assign (resid 31 and name HA ) (resid 33 and name HN ) 4.79 2.99 0.40 assign (resid 31 and name HA ) (resid 35 and name HA ) 5.50 3.70 0.40 assign (resid 31 and name HA ) (resid 35 and name HB2 ) 5.50 3.70 0.40 assign (resid 31 and name HA ) (resid 35 and name HE* ) 5.50 3.70 0.40 assign (resid 31 and name HA ) (resid 35 and name HG1 ) 4.47 2.67 0.40 assign (resid 31 and name HA ) (resid 35 and name HG2 ) 4.38 2.58 0.40 assign (resid 31 and name HA ) (resid 36 and name HA ) 5.19 3.39 0.40 assign (resid 31 and name HA ) (resid 36 and name HB1 ) 5.50 3.70 0.40 assign (resid 31 and name HA ) (resid 36 and name HN ) 5.26 3.46 0.40 assign (resid 31 and name HB1 ) (resid 31 and name HD2* ) 3.37 1.57 0.40 assign (resid 31 and name HB1 ) (resid 32 and name HD2* ) 5.50 3.70 0.40 assign (resid 31 and name HB1 ) (resid 32 and name HN ) 4.98 3.18 0.40 assign (resid 31 and name HB1 ) (resid 33 and name HN ) 5.50 3.70 0.40 assign (resid 31 and name HB1 ) (resid 37 and name HE2 ) 5.50 3.70 0.40 assign (resid 31 and name HB2 ) (resid 32 and name HA ) 5.50 3.70 0.40 assign (resid 31 and name HB2 ) (resid 32 and name HN ) 5.07 3.27 0.40 assign (resid 31 and name HB2 ) (resid 33 and name HN ) 5.50 3.70 0.40 assign (resid 31 and name HB2 ) (resid 37 and name HA ) 5.50 3.70 0.40 assign (resid 31 and name HB2 ) (resid 37 and name HB* ) 4.46 2.66 0.40 assign (resid 31 and name HD1* ) (resid 32 and name HD* ) 5.50 3.70 0.40 assign (resid 31 and name HD1* ) (resid 32 and name HN ) 4.90 3.10 0.40 assign (resid 31 and name HD1* ) (resid 35 and name HB2 ) 5.50 3.70 0.40 assign (resid 31 and name HD1* ) (resid 35 and name HG1 ) 5.50 3.70 0.40 assign (resid 31 and name HD1* ) (resid 35 and name HG2 ) 5.50 3.70 0.40 assign (resid 31 and name HD1* ) (resid 35 and name HN ) 5.21 3.41 0.40 assign (resid 31 and name HD1* ) (resid 36 and name HA ) 3.18 1.38 0.40 assign (resid 31 and name HD1* ) (resid 36 and name HB1 ) 5.20 3.40 0.40 assign (resid 31 and name HD1* ) (resid 36 and name HB2 ) 5.10 3.30 0.40 assign (resid 31 and name HD1* ) (resid 36 and name HD* ) 4.89 3.09 0.40 assign (resid 31 and name HD1* ) (resid 36 and name HN ) 5.50 3.70 0.40 assign (resid 31 and name HD1* ) (resid 37 and name HB1 ) 5.50 3.70 0.40 assign (resid 31 and name HD1* ) (resid 37 and name HD* ) 5.50 3.70 0.40 assign (resid 31 and name HD1* ) (resid 37 and name HE2 ) 4.99 3.19 0.40 assign (resid 31 and name HD1* ) (resid 37 and name HG2 ) 4.73 2.93 0.40 assign (resid 31 and name HD1* ) (resid 37 and name HN ) 4.11 2.31 0.40 assign (resid 31 and name HD2* ) (resid 32 and name HA ) 4.18 2.38 0.40 assign (resid 31 and name HD2* ) (resid 32 and name HB1 ) 5.29 3.49 0.40 assign (resid 31 and name HD2* ) (resid 32 and name HB2 ) 5.37 3.57 0.40 assign (resid 31 and name HD2* ) (resid 32 and name HD2* ) 4.10 2.30 0.40 assign (resid 31 and name HD2* ) (resid 32 and name HD* ) 5.50 3.70 0.40 assign (resid 31 and name HD2* ) (resid 32 and name HG ) 5.11 3.31 0.40 assign (resid 31 and name HD2* ) (resid 32 and name HN ) 4.40 2.60 0.40 assign (resid 31 and name HD2* ) (resid 33 and name HN ) 5.42 3.62 0.40 assign (resid 31 and name HD2* ) (resid 37 and name HE2 ) 5.50 3.70 0.40 assign (resid 31 and name HG ) (resid 32 and name HN ) 4.88 3.08 0.40 assign (resid 31 and name HG ) (resid 37 and name HN ) 5.50 3.70 0.40 assign (resid 31 and name HN ) (resid 31 and name HB1 ) 4.01 2.21 0.40 assign (resid 31 and name HN ) (resid 31 and name HB2 ) 3.52 1.72 0.40 assign (resid 31 and name HN ) (resid 31 and name HD1* ) 4.21 2.41 0.40 assign (resid 31 and name HN ) (resid 31 and name HD2* ) 3.74 1.94 0.40 assign (resid 31 and name HN ) (resid 32 and name HA ) 5.50 3.70 0.40 assign (resid 31 and name HN ) (resid 32 and name HB1 ) 5.49 3.69 0.40 assign (resid 31 and name HN ) (resid 32 and name HG ) 5.50 3.70 0.40 assign (resid 31 and name HN ) (resid 32 and name HN ) 4.21 2.41 0.40 assign (resid 31 and name HN ) (resid 33 and name HD21 ) 5.50 3.70 0.40 assign (resid 31 and name HN ) (resid 33 and name HN ) 5.44 3.64 0.40 assign (resid 32 and name HA ) (resid 32 and name HD1* ) 3.59 1.79 0.40 assign (resid 32 and name HA ) (resid 32 and name HD2* ) 4.12 2.32 0.40 assign (resid 32 and name HA ) (resid 32 and name HD* ) 5.50 3.70 0.40 assign (resid 32 and name HA ) (resid 32 and name HG ) 3.81 2.01 0.40 assign (resid 32 and name HA ) (resid 33 and name HB2 ) 5.50 3.70 0.40 assign (resid 32 and name HA ) (resid 34 and name HN ) 4.42 2.62 0.40 assign (resid 32 and name HB1 ) (resid 32 and name HD1* ) 3.35 1.55 0.40 assign (resid 32 and name HB1 ) (resid 32 and name HD2* ) 3.29 1.49 0.40 assign (resid 32 and name HB1 ) (resid 33 and name HN ) 4.25 2.45 0.40 assign (resid 32 and name HB2 ) (resid 32 and name HD1* ) 3.34 1.54 0.40 assign (resid 32 and name HB2 ) (resid 33 and name HA ) 5.50 3.70 0.40 assign (resid 32 and name HB2 ) (resid 33 and name HN ) 4.36 2.56 0.40 assign (resid 32 and name HD1* ) (resid 33 and name HA ) 5.14 3.34 0.40 assign (resid 32 and name HD1* ) (resid 33 and name HB1 ) 5.04 3.24 0.40 assign (resid 32 and name HD1* ) (resid 33 and name HB2 ) 5.50 3.70 0.40 assign (resid 32 and name HD1* ) (resid 33 and name HD21 ) 4.86 3.06 0.40 assign (resid 32 and name HD1* ) (resid 33 and name HD22 ) 5.50 3.70 0.40 assign (resid 32 and name HD1* ) (resid 33 and name HN ) 4.83 3.03 0.40 assign (resid 32 and name HD1* ) (resid 34 and name HN ) 5.50 3.70 0.40 assign (resid 32 and name HD1* ) (resid 35 and name HE* ) 5.50 3.70 0.40 assign (resid 32 and name HD2* ) (resid 33 and name HA ) 5.31 3.51 0.40 assign (resid 32 and name HD2* ) (resid 33 and name HD22 ) 5.50 3.70 0.40 assign (resid 32 and name HD2* ) (resid 33 and name HN ) 5.04 3.24 0.40 assign (resid 32 and name HG ) (resid 33 and name HA ) 5.50 3.70 0.40 assign (resid 32 and name HG ) (resid 33 and name HD22 ) 5.50 3.70 0.40 assign (resid 32 and name HG ) (resid 33 and name HN ) 4.79 2.99 0.40 assign (resid 32 and name HN ) (resid 32 and name HB1 ) 3.77 1.97 0.40 assign (resid 32 and name HN ) (resid 32 and name HB2 ) 3.82 2.02 0.40 assign (resid 32 and name HN ) (resid 32 and name HD1* ) 3.99 2.19 0.40 assign (resid 32 and name HN ) (resid 32 and name HD2* ) 3.99 2.19 0.40 assign (resid 32 and name HN ) (resid 32 and name HG ) 3.68 1.88 0.40 assign (resid 32 and name HN ) (resid 33 and name HA ) 5.50 3.70 0.40 assign (resid 32 and name HN ) (resid 33 and name HN ) 4.40 2.60 0.40 assign (resid 33 and name HA ) (resid 34 and name HA1 ) 4.78 2.98 0.40 assign (resid 33 and name HA ) (resid 34 and name HA2 ) 4.96 3.16 0.40 assign (resid 33 and name HA ) (resid 35 and name HE* ) 4.80 3.00 0.40 assign (resid 33 and name HB1 ) (resid 34 and name HN ) 4.71 2.91 0.40 assign (resid 33 and name HB1 ) (resid 35 and name HN ) 4.34 2.54 0.40 assign (resid 33 and name HB2 ) (resid 34 and name HA1 ) 5.50 3.70 0.40 assign (resid 33 and name HB2 ) (resid 34 and name HN ) 4.23 2.43 0.40 assign (resid 33 and name HB2 ) (resid 35 and name HE* ) 4.57 2.77 0.40 assign (resid 33 and name HB2 ) (resid 35 and name HG1 ) 5.32 3.52 0.40 assign (resid 33 and name HB2 ) (resid 35 and name HG2 ) 5.36 3.56 0.40 assign (resid 33 and name HB2 ) (resid 35 and name HN ) 5.32 3.52 0.40 assign (resid 33 and name HD22 ) (resid 35 and name HE* ) 5.50 3.70 0.40 assign (resid 33 and name HN ) (resid 33 and name HB1 ) 3.43 1.63 0.40 assign (resid 33 and name HN ) (resid 33 and name HB2 ) 3.44 1.64 0.40 assign (resid 33 and name HN ) (resid 33 and name HD22 ) 5.21 3.41 0.40 assign (resid 33 and name HN ) (resid 34 and name HA1 ) 5.19 3.39 0.40 assign (resid 33 and name HN ) (resid 34 and name HA2 ) 5.11 3.31 0.40 assign (resid 33 and name HN ) (resid 34 and name HN ) 3.71 1.91 0.40 assign (resid 33 and name HN ) (resid 35 and name HN ) 3.83 2.03 0.40 assign (resid 34 and name HA1 ) (resid 35 and name HA ) 5.25 3.45 0.40 assign (resid 34 and name HA1 ) (resid 35 and name HB1 ) 5.50 3.70 0.40 assign (resid 34 and name HA1 ) (resid 35 and name HE* ) 4.15 2.35 0.40 assign (resid 34 and name HA1 ) (resid 35 and name HG2 ) 5.50 3.70 0.40 assign (resid 34 and name HA2 ) (resid 35 and name HA ) 5.37 3.57 0.40 assign (resid 34 and name HA2 ) (resid 35 and name HB1 ) 5.43 3.63 0.40 assign (resid 34 and name HN ) (resid 35 and name HA ) 5.05 3.25 0.40 assign (resid 34 and name HN ) (resid 35 and name HB1 ) 4.90 3.10 0.40 assign (resid 35 and name HA ) (resid 35 and name HE* ) 5.15 3.35 0.40 assign (resid 35 and name HA ) (resid 35 and name HG1 ) 3.84 2.04 0.40 assign (resid 35 and name HA ) (resid 35 and name HG2 ) 3.88 2.08 0.40 assign (resid 35 and name HA ) (resid 36 and name HB1 ) 5.31 3.51 0.40 assign (resid 35 and name HA ) (resid 36 and name HG1 ) 5.03 3.23 0.40 assign (resid 35 and name HA ) (resid 36 and name HG2 ) 5.50 3.70 0.40 assign (resid 35 and name HA ) (resid 39 and name HB1 ) 5.50 3.70 0.40 assign (resid 35 and name HA ) (resid 39 and name HB2 ) 4.60 2.80 0.40 assign (resid 35 and name HB1 ) (resid 35 and name HE* ) 3.24 1.44 0.40 assign (resid 35 and name HB1 ) (resid 36 and name HN ) 5.19 3.39 0.40 assign (resid 35 and name HB1 ) (resid 39 and name HB1 ) 5.16 3.36 0.40 assign (resid 35 and name HB1 ) (resid 39 and name HB2 ) 4.52 2.72 0.40 assign (resid 35 and name HB1 ) (resid 40 and name HE* ) 5.50 3.70 0.40 assign (resid 35 and name HB2 ) (resid 35 and name HE* ) 4.45 2.65 0.40 assign (resid 35 and name HB2 ) (resid 36 and name HA ) 5.50 3.70 0.40 assign (resid 35 and name HB2 ) (resid 36 and name HB1 ) 5.02 3.22 0.40 assign (resid 35 and name HB2 ) (resid 36 and name HG1 ) 4.81 3.01 0.40 assign (resid 35 and name HB2 ) (resid 36 and name HG2 ) 4.92 3.12 0.40 assign (resid 35 and name HB2 ) (resid 36 and name HN ) 5.11 3.31 0.40 assign (resid 35 and name HB2 ) (resid 40 and name HD* ) 5.50 3.70 0.40 assign (resid 35 and name HB2 ) (resid 40 and name HE* ) 5.50 3.70 0.40 assign (resid 35 and name HE* ) (resid 40 and name HE* ) 3.70 1.90 0.40 assign (resid 35 and name HG1 ) (resid 35 and name HE* ) 4.24 2.44 0.40 assign (resid 35 and name HG1 ) (resid 36 and name HG1 ) 5.50 3.70 0.40 assign (resid 35 and name HG1 ) (resid 36 and name HN ) 4.37 2.57 0.40 assign (resid 35 and name HG1 ) (resid 37 and name HN ) 5.50 3.70 0.40 assign (resid 35 and name HG1 ) (resid 39 and name HB1 ) 5.50 3.70 0.40 assign (resid 35 and name HG1 ) (resid 40 and name HD* ) 4.79 2.99 0.40 assign (resid 35 and name HG1 ) (resid 40 and name HE* ) 4.89 3.09 0.40 assign (resid 35 and name HG1 ) (resid 40 and name HN ) 5.50 3.70 0.40 assign (resid 35 and name HG2 ) (resid 35 and name HE* ) 3.66 1.86 0.40 assign (resid 35 and name HG2 ) (resid 36 and name HN ) 4.38 2.58 0.40 assign (resid 35 and name HG2 ) (resid 39 and name HB1 ) 5.50 3.70 0.40 assign (resid 35 and name HG2 ) (resid 39 and name HB2 ) 5.44 3.64 0.40 assign (resid 35 and name HG2 ) (resid 40 and name HD* ) 5.21 3.41 0.40 assign (resid 35 and name HG2 ) (resid 40 and name HE* ) 4.72 2.92 0.40 assign (resid 35 and name HN ) (resid 35 and name HB1 ) 3.81 2.01 0.40 assign (resid 35 and name HN ) (resid 35 and name HG1 ) 3.97 2.17 0.40 assign (resid 35 and name HN ) (resid 35 and name HG2 ) 3.92 2.12 0.40 assign (resid 35 and name HN ) (resid 36 and name HN ) 4.65 2.85 0.40 assign (resid 36 and name HA ) (resid 36 and name HG1 ) 4.18 2.38 0.40 assign (resid 36 and name HA ) (resid 36 and name HG* ) 3.54 1.74 0.40 assign (resid 36 and name HA ) (resid 37 and name HE1 ) 5.50 3.70 0.40 assign (resid 36 and name HA ) (resid 37 and name HN ) 3.53 1.73 0.40 assign (resid 36 and name HA ) (resid 38 and name HN ) 5.41 3.61 0.40 assign (resid 36 and name HB1 ) (resid 36 and name HE* ) 5.50 3.70 0.40 assign (resid 36 and name HB1 ) (resid 37 and name HN ) 3.86 2.06 0.40 assign (resid 36 and name HB1 ) (resid 39 and name HN ) 4.98 3.18 0.40 assign (resid 36 and name HB2 ) (resid 36 and name HD* ) 3.25 1.45 0.40 assign (resid 36 and name HB2 ) (resid 36 and name HE2 ) 3.82 2.02 0.40 assign (resid 36 and name HB2 ) (resid 36 and name HE* ) 4.15 2.35 0.40 assign (resid 36 and name HB2 ) (resid 37 and name HA ) 5.50 3.70 0.40 assign (resid 36 and name HB2 ) (resid 37 and name HD* ) 5.50 3.70 0.40 assign (resid 36 and name HB2 ) (resid 37 and name HG2 ) 3.73 1.93 0.40 assign (resid 36 and name HB2 ) (resid 37 and name HN ) 4.05 2.25 0.40 assign (resid 36 and name HB2 ) (resid 38 and name HA ) 5.50 3.70 0.40 assign (resid 36 and name HB2 ) (resid 38 and name HG2 ) 4.94 3.14 0.40 assign (resid 36 and name HD* ) (resid 36 and name HE1 ) 2.77 0.97 0.40 assign (resid 36 and name HD* ) (resid 36 and name HE2 ) 2.78 0.98 0.40 assign (resid 36 and name HD* ) (resid 37 and name HN ) 4.24 2.44 0.40 assign (resid 36 and name HD* ) (resid 38 and name HA ) 5.50 3.70 0.40 assign (resid 36 and name HD* ) (resid 38 and name HB2 ) 4.74 2.94 0.40 assign (resid 36 and name HD* ) (resid 38 and name HG1 ) 4.91 3.11 0.40 assign (resid 36 and name HD* ) (resid 38 and name HG2 ) 4.23 2.43 0.40 assign (resid 36 and name HD* ) (resid 38 and name HN ) 4.31 2.51 0.40 assign (resid 36 and name HD* ) (resid 39 and name HA ) 5.32 3.52 0.40 assign (resid 36 and name HD* ) (resid 39 and name HB2 ) 5.50 3.70 0.40 assign (resid 36 and name HD* ) (resid 39 and name HN ) 4.96 3.16 0.40 assign (resid 36 and name HE2 ) (resid 38 and name HG2 ) 4.79 2.99 0.40 assign (resid 36 and name HE* ) (resid 38 and name HB1 ) 5.50 3.70 0.40 assign (resid 36 and name HE* ) (resid 38 and name HB2 ) 5.50 3.70 0.40 assign (resid 36 and name HE* ) (resid 38 and name HG1 ) 5.22 3.42 0.40 assign (resid 36 and name HE* ) (resid 38 and name HG2 ) 5.18 3.38 0.40 assign (resid 36 and name HE* ) (resid 38 and name HN ) 5.05 3.25 0.40 assign (resid 36 and name HE* ) (resid 39 and name HN ) 5.50 3.70 0.40 assign (resid 36 and name HG1 ) (resid 37 and name HN ) 4.68 2.88 0.40 assign (resid 36 and name HG1 ) (resid 38 and name HA ) 5.50 3.70 0.40 assign (resid 36 and name HG1 ) (resid 38 and name HG1 ) 5.50 3.70 0.40 assign (resid 36 and name HG1 ) (resid 39 and name HB1 ) 5.25 3.45 0.40 assign (resid 36 and name HG1 ) (resid 39 and name HN ) 5.18 3.38 0.40 assign (resid 36 and name HG2 ) (resid 38 and name HB2 ) 5.08 3.28 0.40 assign (resid 36 and name HG2 ) (resid 39 and name HB1 ) 5.49 3.69 0.40 assign (resid 36 and name HG2 ) (resid 39 and name HN ) 5.29 3.49 0.40 assign (resid 36 and name HG* ) (resid 36 and name HD* ) 2.86 1.06 0.40 assign (resid 36 and name HG* ) (resid 36 and name HE1 ) 4.14 2.34 0.40 assign (resid 36 and name HG* ) (resid 36 and name HE2 ) 3.22 1.42 0.40 assign (resid 36 and name HG* ) (resid 39 and name HB2 ) 5.27 3.47 0.40 assign (resid 36 and name HG* ) (resid 40 and name HE* ) 5.45 3.65 0.40 assign (resid 36 and name HN ) (resid 36 and name HB1 ) 3.85 2.05 0.40 assign (resid 36 and name HN ) (resid 36 and name HD* ) 4.41 2.61 0.40 assign (resid 36 and name HN ) (resid 36 and name HE* ) 5.32 3.52 0.40 assign (resid 36 and name HN ) (resid 36 and name HG1 ) 4.37 2.57 0.40 assign (resid 36 and name HN ) (resid 36 and name HG2 ) 4.53 2.73 0.40 assign (resid 36 and name HN ) (resid 37 and name HN ) 5.44 3.64 0.40 assign (resid 36 and name HN ) (resid 38 and name HN ) 5.10 3.30 0.40 assign (resid 36 and name HN ) (resid 39 and name HB1 ) 5.37 3.57 0.40 assign (resid 36 and name HN ) (resid 39 and name HB2 ) 3.99 2.19 0.40 assign (resid 36 and name HN ) (resid 39 and name HN ) 5.02 3.22 0.40 assign (resid 37 and name HA ) (resid 39 and name HB1 ) 5.50 3.70 0.40 assign (resid 37 and name HA ) (resid 40 and name HD* ) 4.50 2.70 0.40 assign (resid 37 and name HB2 ) (resid 38 and name HN ) 3.89 2.09 0.40 assign (resid 37 and name HB* ) (resid 37 and name HD* ) 3.54 1.74 0.40 assign (resid 37 and name HB* ) (resid 37 and name HE1 ) 4.29 2.49 0.40 assign (resid 37 and name HB* ) (resid 37 and name HE2 ) 3.98 2.18 0.40 assign (resid 37 and name HB* ) (resid 38 and name HA ) 4.79 2.99 0.40 assign (resid 37 and name HB* ) (resid 38 and name HG2 ) 4.69 2.89 0.40 assign (resid 37 and name HB* ) (resid 39 and name HN ) 5.50 3.70 0.40 assign (resid 37 and name HB* ) (resid 40 and name HD* ) 5.23 3.43 0.40 assign (resid 37 and name HB* ) (resid 41 and name HA ) 5.50 3.70 0.40 assign (resid 37 and name HB* ) (resid 41 and name HB1 ) 5.50 3.70 0.40 assign (resid 37 and name HG1 ) (resid 37 and name HE1 ) 4.13 2.33 0.40 assign (resid 37 and name HG1 ) (resid 37 and name HE2 ) 4.24 2.44 0.40 assign (resid 37 and name HG1 ) (resid 38 and name HA ) 4.45 2.65 0.40 assign (resid 37 and name HG1 ) (resid 38 and name HB1 ) 5.41 3.61 0.40 assign (resid 37 and name HG1 ) (resid 38 and name HB2 ) 5.50 3.70 0.40 assign (resid 37 and name HG1 ) (resid 38 and name HG1 ) 4.85 3.05 0.40 assign (resid 37 and name HG1 ) (resid 38 and name HG2 ) 5.31 3.51 0.40 assign (resid 37 and name HG2 ) (resid 37 and name HE1 ) 4.21 2.41 0.40 assign (resid 37 and name HG2 ) (resid 37 and name HE2 ) 4.11 2.31 0.40 assign (resid 37 and name HG2 ) (resid 38 and name HG2 ) 4.72 2.92 0.40 assign (resid 37 and name HG2 ) (resid 38 and name HN ) 4.85 3.05 0.40 assign (resid 37 and name HN ) (resid 37 and name HB1 ) 3.61 1.81 0.40 assign (resid 37 and name HN ) (resid 37 and name HB* ) 3.72 1.92 0.40 assign (resid 37 and name HN ) (resid 37 and name HD* ) 4.60 2.80 0.40 assign (resid 37 and name HN ) (resid 37 and name HE2 ) 5.13 3.33 0.40 assign (resid 37 and name HN ) (resid 37 and name HG1 ) 4.88 3.08 0.40 assign (resid 37 and name HN ) (resid 37 and name HG2 ) 4.25 2.45 0.40 assign (resid 38 and name HA ) (resid 38 and name HG1 ) 3.51 1.71 0.40 assign (resid 38 and name HA ) (resid 38 and name HG2 ) 3.62 1.82 0.40 assign (resid 38 and name HA ) (resid 39 and name HA ) 4.77 2.97 0.40 assign (resid 38 and name HA ) (resid 41 and name HA ) 4.73 2.93 0.40 assign (resid 38 and name HA ) (resid 41 and name HB1 ) 4.11 2.31 0.40 assign (resid 38 and name HA ) (resid 41 and name HB2 ) 4.43 2.63 0.40 assign (resid 38 and name HA ) (resid 41 and name HD1* ) 3.79 1.99 0.40 assign (resid 38 and name HA ) (resid 41 and name HG ) 4.43 2.63 0.40 assign (resid 38 and name HA ) (resid 41 and name HN ) 4.34 2.54 0.40 assign (resid 38 and name HB1 ) (resid 39 and name HA ) 5.27 3.47 0.40 assign (resid 38 and name HB1 ) (resid 39 and name HN ) 4.97 3.17 0.40 assign (resid 38 and name HB1 ) (resid 41 and name HB2 ) 5.17 3.37 0.40 assign (resid 38 and name HB1 ) (resid 41 and name HD1* ) 4.81 3.01 0.40 assign (resid 38 and name HB1 ) (resid 41 and name HN ) 5.50 3.70 0.40 assign (resid 38 and name HB2 ) (resid 39 and name HA ) 5.16 3.36 0.40 assign (resid 38 and name HB2 ) (resid 39 and name HN ) 4.99 3.19 0.40 assign (resid 38 and name HB2 ) (resid 41 and name HB1 ) 5.50 3.70 0.40 assign (resid 38 and name HB2 ) (resid 41 and name HD1* ) 4.84 3.04 0.40 assign (resid 38 and name HB2 ) (resid 41 and name HN ) 5.50 3.70 0.40 assign (resid 38 and name HB* ) (resid 38 and name HG1 ) 2.94 1.14 0.40 assign (resid 38 and name HB* ) (resid 38 and name HG2 ) 2.94 1.14 0.40 assign (resid 38 and name HB* ) (resid 41 and name HB2 ) 5.50 3.70 0.40 assign (resid 38 and name HB* ) (resid 41 and name HD1* ) 4.57 2.77 0.40 assign (resid 38 and name HG1 ) (resid 39 and name HN ) 5.25 3.45 0.40 assign (resid 38 and name HG1 ) (resid 41 and name HB2 ) 5.50 3.70 0.40 assign (resid 38 and name HG1 ) (resid 41 and name HD1* ) 3.88 2.08 0.40 assign (resid 38 and name HG1 ) (resid 41 and name HD* ) 5.50 3.70 0.40 assign (resid 38 and name HG2 ) (resid 39 and name HN ) 4.84 3.04 0.40 assign (resid 38 and name HG2 ) (resid 41 and name HD1* ) 4.38 2.58 0.40 assign (resid 38 and name HG2 ) (resid 41 and name HD* ) 5.50 3.70 0.40 assign (resid 38 and name HN ) (resid 38 and name HB1 ) 4.09 2.29 0.40 assign (resid 38 and name HN ) (resid 38 and name HB2 ) 4.04 2.24 0.40 assign (resid 38 and name HN ) (resid 38 and name HG1 ) 4.01 2.21 0.40 assign (resid 38 and name HN ) (resid 38 and name HG2 ) 4.00 2.20 0.40 assign (resid 38 and name HN ) (resid 39 and name HA ) 5.30 3.50 0.40 assign (resid 38 and name HN ) (resid 39 and name HB1 ) 5.50 3.70 0.40 assign (resid 38 and name HN ) (resid 39 and name HB2 ) 5.50 3.70 0.40 assign (resid 38 and name HN ) (resid 39 and name HN ) 4.08 2.28 0.40 assign (resid 39 and name HA ) (resid 40 and name HA ) 5.13 3.33 0.40 assign (resid 39 and name HA ) (resid 40 and name HB1 ) 5.50 3.70 0.40 assign (resid 39 and name HA ) (resid 40 and name HD* ) 5.34 3.54 0.40 assign (resid 39 and name HA ) (resid 41 and name HN ) 5.09 3.29 0.40 assign (resid 39 and name HB1 ) (resid 40 and name HD* ) 5.50 3.70 0.40 assign (resid 39 and name HB1 ) (resid 40 and name HE* ) 5.50 3.70 0.40 assign (resid 39 and name HB1 ) (resid 40 and name HN ) 5.42 3.62 0.40 assign (resid 39 and name HB2 ) (resid 40 and name HD* ) 5.50 3.70 0.40 assign (resid 39 and name HB2 ) (resid 40 and name HN ) 5.08 3.28 0.40 assign (resid 39 and name HN ) (resid 39 and name HB2 ) 3.92 2.12 0.40 assign (resid 39 and name HN ) (resid 41 and name HN ) 4.94 3.14 0.40 assign (resid 40 and name HA ) (resid 40 and name HD* ) 3.98 2.18 0.40 assign (resid 40 and name HA ) (resid 40 and name HE* ) 5.50 3.70 0.40 assign (resid 40 and name HB1 ) (resid 41 and name HN ) 5.01 3.21 0.40 assign (resid 40 and name HN ) (resid 40 and name HD2 ) 4.46 2.66 0.40 assign (resid 40 and name HN ) (resid 41 and name HA ) 5.23 3.43 0.40 assign (resid 40 and name HN ) (resid 41 and name HB1 ) 5.04 3.24 0.40 assign (resid 40 and name HN ) (resid 41 and name HB2 ) 4.82 3.02 0.40 assign (resid 40 and name HN ) (resid 41 and name HN ) 3.79 1.99 0.40 assign (resid 41 and name HA ) (resid 41 and name HD2* ) 3.48 1.68 0.40 assign (resid 41 and name HA ) (resid 41 and name HG ) 3.89 2.09 0.40 assign (resid 41 and name HB1 ) (resid 41 and name HD1* ) 3.73 1.93 0.40 assign (resid 41 and name HB1 ) (resid 42 and name HN ) 4.88 3.08 0.40 assign (resid 41 and name HB2 ) (resid 41 and name HD1* ) 3.60 1.80 0.40 assign (resid 41 and name HB2 ) (resid 42 and name HN ) 4.71 2.91 0.40 assign (resid 41 and name HD1* ) (resid 43 and name HD* ) 3.05 1.25 0.40 assign (resid 41 and name HD1* ) (resid 43 and name HE* ) 3.96 2.16 0.40 assign (resid 41 and name HD2* ) (resid 42 and name HA ) 3.91 2.11 0.40 assign (resid 41 and name HD2* ) (resid 42 and name HN ) 4.02 2.22 0.40 assign (resid 41 and name HD2* ) (resid 43 and name HA ) 4.40 2.60 0.40 assign (resid 41 and name HD2* ) (resid 43 and name HD* ) 3.01 1.21 0.40 assign (resid 41 and name HD2* ) (resid 43 and name HE* ) 3.76 1.96 0.40 assign (resid 41 and name HD2* ) (resid 43 and name HG* ) 3.85 2.05 0.40 assign (resid 41 and name HD2* ) (resid 44 and name HN ) 5.50 3.70 0.40 assign (resid 41 and name HD* ) (resid 43 and name HA ) 5.50 3.70 0.40 assign (resid 41 and name HD* ) (resid 43 and name HE* ) 5.50 3.70 0.40 assign (resid 41 and name HG ) (resid 42 and name HG1* ) 5.50 3.70 0.40 assign (resid 41 and name HG ) (resid 42 and name HN ) 4.05 2.25 0.40 assign (resid 41 and name HG ) (resid 43 and name HD* ) 5.38 3.58 0.40 assign (resid 41 and name HG ) (resid 43 and name HE* ) 5.50 3.70 0.40 assign (resid 41 and name HN ) (resid 41 and name HB1 ) 3.78 1.98 0.40 assign (resid 41 and name HN ) (resid 41 and name HB2 ) 3.69 1.89 0.40 assign (resid 41 and name HN ) (resid 41 and name HD2* ) 4.25 2.45 0.40 assign (resid 41 and name HN ) (resid 41 and name HG ) 4.60 2.80 0.40 assign (resid 41 and name HN ) (resid 42 and name HN ) 4.79 2.99 0.40 assign (resid 42 and name HA ) (resid 42 and name HG1* ) 3.33 1.53 0.40 assign (resid 42 and name HA ) (resid 42 and name HG2* ) 2.99 1.19 0.40 assign (resid 42 and name HA ) (resid 43 and name HB1 ) 5.30 3.50 0.40 assign (resid 42 and name HA ) (resid 43 and name HD* ) 5.46 3.66 0.40 assign (resid 42 and name HA ) (resid 43 and name HG* ) 5.49 3.69 0.40 assign (resid 42 and name HA ) (resid 43 and name HN ) 2.99 1.19 0.40 assign (resid 42 and name HB ) (resid 43 and name HN ) 4.29 2.49 0.40 assign (resid 42 and name HB ) (resid 48 and name HB1 ) 5.50 3.70 0.40 assign (resid 42 and name HG1* ) (resid 43 and name HA ) 5.50 3.70 0.40 assign (resid 42 and name HG1* ) (resid 43 and name HN ) 4.36 2.56 0.40 assign (resid 42 and name HG2* ) (resid 43 and name HA ) 4.45 2.65 0.40 assign (resid 42 and name HG2* ) (resid 43 and name HB1 ) 4.83 3.03 0.40 assign (resid 42 and name HG2* ) (resid 43 and name HN ) 3.74 1.94 0.40 assign (resid 42 and name HG2* ) (resid 44 and name HA ) 4.39 2.59 0.40 assign (resid 42 and name HG2* 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HG* ) (resid 44 and name HB1 ) 5.41 3.61 0.40 assign (resid 43 and name HG* ) (resid 44 and name HB2 ) 5.50 3.70 0.40 assign (resid 43 and name HG* ) (resid 44 and name HN ) 4.11 2.31 0.40 assign (resid 43 and name HG* ) (resid 45 and name HG2* ) 4.69 2.89 0.40 assign (resid 43 and name HG* ) (resid 45 and name HN ) 5.15 3.35 0.40 assign (resid 43 and name HG* ) (resid 46 and name HG2 ) 5.50 3.70 0.40 assign (resid 43 and name HN ) (resid 43 and name HB1 ) 3.45 1.65 0.40 assign (resid 43 and name HN ) (resid 43 and name HB2 ) 3.70 1.90 0.40 assign (resid 43 and name HN ) (resid 43 and name HD* ) 4.35 2.55 0.40 assign (resid 43 and name HN ) (resid 43 and name HE* ) 4.78 2.98 0.40 assign (resid 43 and name HN ) (resid 43 and name HG* ) 3.97 2.17 0.40 assign (resid 43 and name HN ) (resid 44 and name HA ) 5.50 3.70 0.40 assign (resid 43 and name HN ) (resid 44 and name HN ) 4.65 2.85 0.40 assign (resid 44 and name HA ) (resid 44 and name HB1 ) 2.97 1.17 0.40 assign (resid 44 and name HA 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(resid 45 and name HN ) 3.92 2.12 0.40 assign (resid 45 and name HA ) (resid 45 and name HG2* ) 3.24 1.44 0.40 assign (resid 45 and name HA ) (resid 47 and name HN ) 4.06 2.26 0.40 assign (resid 45 and name HG2* ) (resid 46 and name HA ) 5.50 3.70 0.40 assign (resid 45 and name HG2* ) (resid 46 and name HB1 ) 5.50 3.70 0.40 assign (resid 45 and name HG2* ) (resid 46 and name HG1 ) 5.50 3.70 0.40 assign (resid 45 and name HG2* ) (resid 46 and name HG2 ) 5.50 3.70 0.40 assign (resid 45 and name HG2* ) (resid 46 and name HN ) 4.29 2.49 0.40 assign (resid 45 and name HG2* ) (resid 47 and name HN ) 4.51 2.71 0.40 assign (resid 45 and name HN ) (resid 45 and name HB ) 3.58 1.78 0.40 assign (resid 45 and name HN ) (resid 45 and name HG2* ) 3.87 2.07 0.40 assign (resid 45 and name HN ) (resid 46 and name HB1 ) 5.50 3.70 0.40 assign (resid 45 and name HN ) (resid 46 and name HN ) 3.29 1.49 0.40 assign (resid 46 and name HA ) (resid 46 and name HB2 ) 2.74 0.94 0.40 assign (resid 46 and name HA ) (resid 46 and name HG1 ) 3.70 1.90 0.40 assign (resid 46 and name HB2 ) (resid 46 and name HG1 ) 2.80 1.00 0.40 assign (resid 46 and name HB2 ) (resid 47 and name HN ) 3.93 2.13 0.40 assign (resid 46 and name HG1 ) (resid 47 and name HN ) 3.99 2.19 0.40 assign (resid 46 and name HG1 ) (resid 48 and name HN ) 5.40 3.60 0.40 assign (resid 46 and name HN ) (resid 46 and name HA ) 2.92 1.12 0.40 assign (resid 46 and name HN ) (resid 46 and name HB1 ) 3.22 1.42 0.40 assign (resid 46 and name HN ) (resid 46 and name HB2 ) 3.70 1.90 0.40 assign (resid 46 and name HN ) (resid 46 and name HG2 ) 3.90 2.10 0.40 assign (resid 46 and name HN ) (resid 47 and name HN ) 3.24 1.44 0.40 assign (resid 47 and name HA ) (resid 47 and name HG* ) 3.39 1.59 0.40 assign (resid 47 and name HA ) (resid 48 and name HB1 ) 5.50 3.70 0.40 assign (resid 47 and name HA ) (resid 48 and name HB2 ) 5.50 3.70 0.40 assign (resid 47 and name HA ) (resid 48 and name HN ) 3.00 1.20 0.40 assign (resid 47 and name HB1 ) (resid 48 and name HN ) 4.89 3.09 0.40 assign (resid 47 and name HB2 ) (resid 47 and name HG* ) 2.75 0.95 0.40 assign (resid 47 and name HB2 ) (resid 48 and name HN ) 4.16 2.36 0.40 assign (resid 47 and name HG* ) (resid 48 and name HN ) 5.50 3.70 0.40 assign (resid 47 and name HN ) (resid 47 and name HA ) 2.73 0.93 0.40 assign (resid 47 and name HN ) (resid 47 and name HB1 ) 3.17 1.37 0.40 assign (resid 47 and name HN ) (resid 47 and name HB2 ) 3.87 2.07 0.40 assign (resid 47 and name HN ) (resid 48 and name HN ) 3.91 2.11 0.40 assign (resid 48 and name HA ) (resid 48 and name HG* ) 4.24 2.44 0.40 assign (resid 48 and name HB2 ) (resid 48 and name HG* ) 2.51 0.71 0.40 assign (resid 48 and name HN ) (resid 48 and name HB1 ) 3.79 1.99 0.40 assign (resid 48 and name HN ) (resid 48 and name HG* ) 4.66 2.86 0.40
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