NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
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24137 |
2k0q   |
15655 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
assign ((resid 8 and name HG2 )) ((resid 9 and name HB )) 4.76 2.96 0.00 ! #SUP 5.71 or ((resid 8 and name HG1 )) ((resid 9 and name HB )) ! #SUP 5.12 assign ((resid 50 and name HB )) ((resid 52 and name HG2* )) 5.06 3.26 0.00 ! #SUP 2.21 or ((resid 50 and name HB )) ((resid 52 and name HG2* )) ! #SUP 2.21 assign ((resid 16 and name HB1 )) ((resid 28 and name HG1 )) 5.50 3.70 0.00 ! #SUP 3.91 or ((resid 16 and name HB1 )) ((resid 28 and name HG2 )) ! #SUP 2.99 assign ((resid 16 and name HB2 )) ((resid 28 and name HG1 )) 5.31 3.51 0.00 ! #SUP 3.09 or ((resid 16 and name HB2 )) ((resid 28 and name HG2 )) ! #SUP 2.36 assign ((resid 42 and name HA )) ((resid 43 and name HA )) 3.78 1.98 0.00 ! #SUP 4.75 or ((resid 34 and name HA )) ((resid 35 and name HB* )) ! #SUP 3.45 assign ((resid 16 and name HB1 )) ((resid 28 and name HE# )) 4.32 2.52 0.00 ! #SUP 2.86 or ((resid 12 and name HB2 )) ((resid 16 and name HB1 )) ! #SUP 3.72 assign ((resid 9 and name HA )) ((resid 18 and name HB )) 4.70 2.90 0.00 ! #SUP 5.23 or ((resid 9 and name HA )) ((resid 20 and name HB )) ! #SUP 2.37 assign ((resid 20 and name HA )) ((resid 26 and name HG1 )) 4.14 2.34 0.00 ! #SUP 5.43 or ((resid 20 and name HA )) ((resid 26 and name HG2 )) ! #SUP 5.31 assign ((resid 20 and name HA )) ((resid 20 and name HG1* )) 3.35 1.55 0.00 ! #SUP 4.84 or ((resid 20 and name HA )) ((resid 20 and name HG2* )) ! #SUP 4.68 assign ((resid 9 and name HA )) ((resid 9 and name HG2* )) 3.80 2.00 0.00 ! #SUP 3.84 or ((resid 9 and name HA )) ((resid 20 and name HG2* )) ! #SUP 2.06 assign ((resid 8 and name HG2 )) ((resid 9 and name HA )) 4.87 3.07 0.00 ! #SUP 5.24 or ((resid 9 and name HA )) ((resid 18 and name HG2* )) ! #SUP 3.60 or ((resid 8 and name HG1 )) ((resid 9 and name HA )) ! #SUP 4.43 assign ((resid 18 and name HA )) ((resid 28 and name HG2 )) 4.17 2.37 0.00 ! #SUP 4.27 or ((resid 18 and name HA )) ((resid 28 and name HG1 )) ! #SUP 4.38 assign ((resid 44 and name HE# )) ((resid 53 and name HA )) 4.48 2.68 0.00 ! #SUP 1.85 or ((resid 43 and name HB )) ((resid 53 and name HA )) ! #SUP 1.80 or ((resid 44 and name HB2 )) ((resid 53 and name HA )) ! #SUP 2.13 assign ((resid 53 and name HA )) ((resid 53 and name HG2* )) 4.05 2.25 0.00 ! #SUP 4.84 or ((resid 53 and name HA )) ((resid 53 and name HD1* )) ! #SUP 4.48 assign ((resid 59 and name HA )) ((resid 59 and name HD1* )) 3.81 2.01 0.00 ! #SUP 3.82 or ((resid 59 and name HA )) ((resid 59 and name HG2* )) ! #SUP 5.82 assign ((resid 53 and name HG2* )) ((resid 59 and name HA )) 4.86 3.06 0.00 ! #SUP 3.45 or ((resid 53 and name HD1* )) ((resid 59 and name HA )) ! #SUP 1.02 assign ((resid 16 and name HA )) ((resid 17 and name HG1 )) 4.36 2.56 0.00 ! #SUP 4.40 or ((resid 16 and name HA )) ((resid 17 and name HB2 )) ! #SUP 5.16 assign ((resid 51 and name HB2 )) ((resid 52 and name HA )) 5.48 3.68 0.00 ! #SUP 3.20 or ((resid 52 and name HA )) ((resid 61 and name HB* )) ! #SUP 3.61 assign ((resid 21 and name HA )) ((resid 22 and name HB* )) 4.01 2.21 0.00 ! #SUP 5.66 or ((resid 20 and name HB )) ((resid 21 and name HA )) ! #SUP 4.01 or ((resid 21 and name HA )) ((resid 25 and name HB1 )) ! #SUP 2.70 or ((resid 6 and name HB )) ((resid 21 and name HA )) ! #SUP 2.83 assign ((resid 6 and name HG2* )) ((resid 21 and name HA )) 4.16 2.36 0.00 ! #SUP 5.59 or ((resid 7 and name HG2* )) ((resid 21 and name HA )) ! #SUP 6.52 assign ((resid 10 and name HA )) ((resid 18 and name HG2* )) 4.65 2.85 0.00 ! #SUP 5.03 or ((resid 8 and name HG2 )) ((resid 10 and name HA )) ! #SUP 1.15 or ((resid 8 and name HG1 )) ((resid 10 and name HA )) ! #SUP 0.83 assign ((resid 67 and name HA )) ((resid 67 and name HB1 )) 2.75 0.95 0.00 ! #SUP 5.21 or ((resid 68 and name HA )) ((resid 68 and name HB1 )) ! #SUP 4.56 assign ((resid 67 and name HA )) ((resid 67 and name HG2 )) 3.24 1.44 0.00 ! #SUP 5.37 or ((resid 66 and name HB* )) ((resid 67 and name HA )) ! #SUP 3.86 or ((resid 67 and name HG2 )) ((resid 68 and name HA )) ! #SUP 4.33 assign ((resid 44 and name HB1 )) ((resid 45 and name HA )) 3.94 2.14 0.00 ! #SUP 3.73 or ((resid 45 and name HA )) ((resid 51 and name HB1 )) ! #SUP 1.62 assign ((resid 40 and name HG2 )) ((resid 55 and name HA )) 3.77 1.97 0.00 ! #SUP 3.73 or ((resid 54 and name HG2 )) ((resid 55 and name HA )) ! #SUP 4.10 assign ((resid 8 and name HA )) ((resid 8 and name HG2 )) 3.23 1.43 0.00 ! #SUP 7.63 or ((resid 8 and name HA )) ((resid 8 and name HG1 )) ! #SUP 6.36 assign ((resid 46 and name HG2* )) ((resid 51 and name HA )) 4.58 2.78 0.00 ! #SUP 3.61 or ((resid 51 and name HA )) ((resid 52 and name HG12 )) ! #SUP 5.41 assign ((resid 51 and name HA )) ((resid 52 and name HG2* )) 5.34 3.54 0.00 ! #SUP 6.04 or ((resid 51 and name HA )) ((resid 52 and name HG2* )) ! #SUP 6.04 assign ((resid 17 and name HA )) ((resid 17 and name HE1 )) 5.16 3.36 0.00 ! #SUP 6.95 or ((resid 17 and name HA )) ((resid 17 and name HE2 )) ! #SUP 6.34 assign ((resid 17 and name HA )) ((resid 18 and name HB )) 4.58 2.78 0.00 ! #SUP 4.67 or ((resid 17 and name HA )) ((resid 29 and name HB2 )) ! #SUP 1.89 !assign ((resid 60 and name HA )) ((resid 60 and name HD2 )) 3.04 1.24 0.00 ! #SUP 2.96 !or ((resid 60 and name HA )) ((resid 60 and name HD1 )) ! #SUP 2.19 assign ((resid 20 and name HG2* )) ((resid 58 and name HA )) 4.62 2.82 0.00 ! #SUP 2.56 or ((resid 20 and name HG1* )) ((resid 58 and name HA )) ! #SUP 1.94 or ((resid 58 and name HA )) ((resid 59 and name HG11 )) ! #SUP 4.60 assign ((resid 3 and name HA )) ((resid 3 and name HB1 )) 2.91 1.11 0.00 ! #SUP 5.09 or ((resid 3 and name HA )) ((resid 6 and name HB )) ! #SUP 4.66 or ((resid 3 and name HA )) ((resid 3 and name HE# )) ! #SUP 3.50 assign ((resid 1 and name HG* )) ((resid 3 and name HA )) 3.79 1.99 0.00 ! #SUP 2.23 or ((resid 3 and name HA )) ((resid 6 and name HG2* )) ! #SUP 4.24 assign ((resid 28 and name HA )) ((resid 28 and name HG2 )) 3.59 1.79 0.00 ! #SUP 4.91 or ((resid 28 and name HA )) ((resid 28 and name HG1 )) ! #SUP 5.12 assign ((resid 18 and name HG1* )) ((resid 28 and name HA )) 4.70 2.90 0.00 ! #SUP 6.10 or ((resid 18 and name HG2* )) ((resid 28 and name HA )) ! #SUP 5.83 assign ((resid 26 and name HA )) ((resid 26 and name HG1 )) 3.53 1.73 0.00 ! #SUP 4.99 or ((resid 26 and name HA )) ((resid 26 and name HG2 )) ! #SUP 4.18 assign ((resid 26 and name HA )) ((resid 26 and name HB1 )) 3.04 1.24 0.00 ! #SUP 6.18 or ((resid 28 and name HA )) ((resid 28 and name HB2 )) ! #SUP 5.22 or ((resid 26 and name HA )) ((resid 26 and name HB2 )) ! #SUP 4.08 assign ((resid 20 and name HG2* )) ((resid 26 and name HA )) 4.35 2.55 0.00 ! #SUP 6.93 or ((resid 20 and name HG1* )) ((resid 26 and name HA )) ! #SUP 5.81 !assign ((resid 54 and name HA )) ((resid 60 and name HD2 )) 5.05 3.25 0.00 ! #SUP 2.27 !or ((resid 54 and name HA )) ((resid 60 and name HD1 )) ! #SUP 2.43 assign ((resid 54 and name HA )) ((resid 54 and name HG1 )) 3.94 2.14 0.00 ! #SUP 4.28 or ((resid 54 and name HA )) ((resid 60 and name HB1 )) ! #SUP 3.01 assign ((resid 54 and name HA )) ((resid 59 and name HG11 )) 5.03 3.23 0.00 ! #SUP 3.34 or ((resid 53 and name HG12 )) ((resid 54 and name HA )) ! #SUP 4.01 assign ((resid 19 and name HA )) ((resid 20 and name HB )) 4.11 2.31 0.00 ! #SUP 3.86 or ((resid 18 and name HB )) ((resid 19 and name HA )) ! #SUP 3.82 assign ((resid 19 and name HA )) ((resid 20 and name HG2* )) 4.10 2.30 0.00 ! #SUP 4.54 or ((resid 9 and name HG2* )) ((resid 19 and name HA )) ! #SUP 1.07 assign ((resid 1 and name HG* )) ((resid 19 and name HA )) 4.43 2.63 0.00 ! #SUP 2.50 or ((resid 6 and name HG2* )) ((resid 19 and name HA )) ! #SUP 2.08 assign ((resid 44 and name HA )) ((resid 44 and name HG* )) 3.52 1.72 0.00 ! #SUP 4.31 or ((resid 38 and name HA )) ((resid 38 and name HG1 )) ! #SUP 7.91 assign ((resid 47 and name HB2 )) ((resid 48 and name HA )) 4.06 2.26 0.00 ! #SUP 5.04 or ((resid 63 and name HA )) ((resid 66 and name HB* )) ! #SUP 0.33 or ((resid 63 and name HA )) ((resid 67 and name HG2 )) ! #SUP 0.55 assign ((resid 34 and name HA )) ((resid 35 and name HB* )) 3.86 2.06 0.00 ! #SUP 3.45 or ((resid 33 and name HA1 )) ((resid 34 and name HA )) ! #SUP 3.68 assign ((resid 54 and name HG2 )) ((resid 57 and name HA )) 5.14 3.34 0.00 ! #SUP 4.04 or ((resid 54 and name HG1 )) ((resid 57 and name HA )) ! #SUP 1.59 assign ((resid 54 and name HE# )) ((resid 57 and name HA )) 4.29 2.49 0.00 ! #SUP 3.53 or ((resid 57 and name HA )) ((resid 58 and name HG1 )) ! #SUP 2.98 assign ((resid 2 and name HA )) ((resid 2 and name HB2 )) 3.00 1.20 0.00 ! #SUP 3.00 or ((resid 48 and name HA )) ((resid 48 and name HB1 )) ! #SUP 3.93 or ((resid 38 and name HA )) ((resid 38 and name HG2 )) ! #SUP 5.64 assign ((resid 29 and name HB1 )) ((resid 33 and name HA2 )) 4.43 2.63 0.00 ! #SUP 0.75 or ((resid 33 and name HA2 )) ((resid 34 and name HB2 )) ! #SUP 3.37 assign ((resid 26 and name HB1 )) ((resid 27 and name HA2 )) 3.88 2.08 0.00 ! #SUP 2.84 or ((resid 27 and name HA2 )) ((resid 28 and name HB2 )) ! #SUP 2.84 or ((resid 26 and name HB2 )) ((resid 27 and name HA2 )) ! #SUP 2.01 assign ((resid 15 and name HA2 )) ((resid 31 and name HD1 )) 4.51 2.71 0.00 ! #SUP 4.48 or ((resid 15 and name HA2 )) ((resid 31 and name HD2 )) ! #SUP 4.44 assign ((resid 26 and name HA )) ((resid 27 and name HA1 )) 4.36 2.56 0.00 ! #SUP 3.77 or ((resid 27 and name HA1 )) ((resid 28 and name HA )) ! #SUP 3.21 assign ((resid 26 and name HB1 )) ((resid 27 and name HA1 )) 4.32 2.52 0.00 ! #SUP 3.53 or ((resid 27 and name HA1 )) ((resid 28 and name HB2 )) ! #SUP 3.01 or ((resid 26 and name HB2 )) ((resid 27 and name HA1 )) ! #SUP 2.65 assign ((resid 15 and name HA1 )) ((resid 31 and name HD1 )) 4.67 2.87 0.00 ! #SUP 3.46 or ((resid 15 and name HA1 )) ((resid 31 and name HD2 )) ! #SUP 3.51 assign ((resid 52 and name HG2* )) ((resid 61 and name HD1 )) 4.96 3.16 0.00 ! #SUP 3.78 or ((resid 52 and name HG2* )) ((resid 61 and name HD2 )) ! #SUP 3.78 assign ((resid 64 and name HN )) ((resid 61 and name HD1 )) 5.50 3.70 0.00 ! #by hand or ((resid 64 and name HN )) ((resid 61 and name HD2 )) ! #by hand assign ((resid 67 and name HB2 )) ((resid 67 and name HD* )) 3.35 1.55 0.00 ! #SUP 4.31 or ((resid 47 and name HB1 )) ((resid 47 and name HD* )) ! #SUP 4.43 !assign ((resid 52 and name HB )) ((resid 60 and name HD1 )) 5.50 3.70 0.00 ! #SUP 3.82 !or ((resid 52 and name HB )) ((resid 60 and name HD2 )) ! #SUP 3.05 assign ((resid 52 and name HB )) ((resid 61 and name HB* )) 4.83 3.03 0.00 ! #SUP 2.37 or ((resid 18 and name HB )) ((resid 52 and name HB )) ! #SUP 0.75 or ((resid 44 and name HB2 )) ((resid 52 and name HB )) ! #SUP 1.11 assign ((resid 34 and name HD* )) ((resid 34 and name HE* )) 2.72 0.92 0.00 ! #SUP 2.98 or ((resid 68 and name HD* )) ((resid 68 and name HE* )) ! #SUP 2.04 assign ((resid 17 and name HD* )) ((resid 17 and name HE2 )) 2.62 0.82 0.00 ! #SUP 5.30 or ((resid 42 and name HD* )) ((resid 42 and name HE* )) ! #SUP 4.56 assign ((resid 22 and name HG* )) ((resid 22 and name HE* )) 2.91 1.11 0.00 ! #SUP 2.67 or ((resid 17 and name HG2 )) ((resid 17 and name HE2 )) ! #SUP 5.26 or ((resid 17 and name HG2 )) ((resid 17 and name HE1 )) ! #SUP 6.95 assign ((resid 55 and name HD1 )) ((resid 55 and name HE* )) 2.94 1.14 0.00 ! #SUP 5.87 or ((resid 51 and name HG1 )) ((resid 51 and name HE* )) ! #SUP 2.76 or ((resid 42 and name HG2 )) ((resid 42 and name HE* )) ! #SUP 5.99 or ((resid 25 and name HG1 )) ((resid 25 and name HE* )) ! #SUP 4.39 assign ((resid 51 and name HG2 )) ((resid 51 and name HE* )) 3.22 1.42 0.00 ! #SUP 2.76 or ((resid 25 and name HG2 )) ((resid 25 and name HE* )) ! #SUP 4.21 assign ((resid 42 and name HB1 )) ((resid 53 and name HB )) 4.60 2.80 0.00 ! #SUP 1.03 or ((resid 42 and name HB2 )) ((resid 53 and name HB )) ! #SUP 1.51 assign ((resid 63 and name HB2 )) ((resid 66 and name HD1* )) 4.86 3.06 0.00 ! #SUP 1.74 or ((resid 43 and name HG2* )) ((resid 60 and name HB2 )) ! #SUP 0.24 assign ((resid 62 and name HD1* )) ((resid 63 and name HB2 )) 4.37 2.57 0.00 ! #SUP 6.64 or ((resid 59 and name HG2* )) ((resid 60 and name HB2 )) ! #SUP 4.00 or ((resid 52 and name HG2* )) ((resid 60 and name HB2 )) ! #SUP 4.28 or ((resid 52 and name HG2* )) ((resid 60 and name HB2 )) ! #SUP 4.28 assign ((resid 31 and name HE* )) ((resid 32 and name HE* )) 3.72 1.92 0.00 ! #SUP 4.27 or ((resid 31 and name HE* )) ((resid 32 and name HZ )) ! #SUP 2.70 assign ((resid 31 and name HD2 )) ((resid 31 and name HE* )) 3.00 1.20 0.00 ! #SUP 6.85 or ((resid 31 and name HD1 )) ((resid 31 and name HE* )) ! #SUP 6.66 assign ((resid 8 and name HG1 )) ((resid 8 and name HE2 )) 3.40 1.60 0.00 ! #SUP 4.64 or ((resid 8 and name HG2 )) ((resid 8 and name HE2 )) ! #SUP 5.57 assign ((resid 8 and name HG1 )) ((resid 8 and name HE1 )) 3.39 1.59 0.00 ! #SUP 4.65 or ((resid 8 and name HG2 )) ((resid 8 and name HE1 )) ! #SUP 5.59 assign ((resid 21 and name HB2 )) ((resid 22 and name HA )) 5.10 3.30 0.00 ! #SUP 5.15 or ((resid 6 and name HA )) ((resid 21 and name HB2 )) ! #SUP 3.87 assign ((resid 21 and name HB2 )) ((resid 25 and name HB1 )) 4.76 2.96 0.00 ! #SUP 5.65 or ((resid 21 and name HB2 )) ((resid 22 and name HB* )) ! #SUP 5.45 assign ((resid 10 and name HB2 )) ((resid 12 and name HD2* )) 5.50 3.70 0.00 ! #SUP 1.55 or ((resid 10 and name HB2 )) ((resid 52 and name HG2* )) ! #SUP 2.22 or ((resid 10 and name HB2 )) ((resid 52 and name HG2* )) ! #SUP 2.22 assign ((resid 5 and name HB2 )) ((resid 22 and name HE* )) 4.38 2.58 0.00 ! #SUP 0.38 or ((resid 5 and name HB2 )) ((resid 25 and name HE* )) ! #SUP 0.02 assign ((resid 10 and name HB1 )) ((resid 18 and name HG2* )) 5.24 3.44 0.00 ! #SUP 4.86 or ((resid 10 and name HB1 )) ((resid 12 and name HD1* )) ! #SUP 2.20 assign ((resid 10 and name HB1 )) ((resid 12 and name HD2* )) 5.10 3.30 0.00 ! #SUP 3.49 or ((resid 10 and name HB1 )) ((resid 52 and name HG2* )) ! #SUP 2.35 or ((resid 10 and name HB1 )) ((resid 52 and name HG2* )) ! #SUP 2.35 assign ((resid 32 and name HB2 )) ((resid 34 and name HG1 )) 4.89 3.09 0.00 ! #SUP 2.01 or ((resid 30 and name HB2 )) ((resid 34 and name HG1 )) ! #SUP 2.40 or ((resid 31 and name HD2 )) ((resid 32 and name HB2 )) ! #SUP 4.52 or ((resid 31 and name HD1 )) ((resid 32 and name HB2 )) ! #SUP 4.41 assign ((resid 31 and name HG2 )) ((resid 32 and name HB2 )) 5.15 3.35 0.00 ! #SUP 5.36 or ((resid 30 and name HB2 )) ((resid 31 and name HG2 )) ! #SUP 4.98 assign ((resid 30 and name HB1 )) ((resid 36 and name HE# )) 5.50 3.70 0.00 ! #SUP 2.35 or ((resid 30 and name HB1 )) ((resid 36 and name HB1 )) ! #SUP 1.63 assign ((resid 32 and name HB1 )) ((resid 34 and name HG1 )) 5.03 3.23 0.00 ! #SUP 2.85 or ((resid 31 and name HD2 )) ((resid 32 and name HB1 )) ! #SUP 4.61 or ((resid 31 and name HD1 )) ((resid 32 and name HB1 )) ! #SUP 4.44 assign ((resid 17 and name HB2 )) ((resid 17 and name HE1 )) 4.89 3.09 0.00 ! #SUP 6.93 or ((resid 17 and name HB2 )) ((resid 17 and name HE2 )) ! #SUP 6.03 assign ((resid 17 and name HB1 )) ((resid 17 and name HE1 )) 5.42 3.62 0.00 ! #SUP 6.79 or ((resid 17 and name HB1 )) ((resid 17 and name HE2 )) ! #SUP 5.99 assign ((resid 17 and name HB2 )) ((resid 29 and name HB2 )) 5.48 3.68 0.00 ! #SUP 4.88 or ((resid 17 and name HB2 )) ((resid 29 and name HB1 )) ! #SUP 4.36 assign ((resid 58 and name HB* )) ((resid 58 and name HG2 )) 3.00 1.20 0.00 ! #SUP 5.13 or ((resid 40 and name HB1 )) ((resid 40 and name HG1 )) ! #SUP 4.63 or ((resid 45 and name HB1 )) ((resid 45 and name HG1 )) ! #SUP 4.98 assign ((resid 18 and name HG2* )) ((resid 28 and name HB2 )) 4.18 2.38 0.00 ! #SUP 1.83 or ((resid 18 and name HG2* )) ((resid 26 and name HB2 )) ! #SUP 0.77 assign ((resid 20 and name HA )) ((resid 26 and name HB1 )) 4.29 2.49 0.00 ! #SUP 4.74 or ((resid 20 and name HA )) ((resid 26 and name HB2 )) ! #SUP 2.87 assign ((resid 18 and name HG1* )) ((resid 28 and name HB1 )) 4.44 2.64 0.00 ! #SUP 3.19 or ((resid 18 and name HG2* )) ((resid 28 and name HB1 )) ! #SUP 3.82 assign ((resid 64 and name HB2 )) ((resid 64 and name HG* )) 2.40 0.60 0.00 ! #SUP 3.86 or ((resid 72 and name HB2 )) ((resid 72 and name HG* )) ! #SUP 2.00 assign ((resid 44 and name HB1 )) ((resid 52 and name HG12 )) 5.25 3.45 0.00 ! #SUP 3.61 or ((resid 44 and name HB1 )) ((resid 46 and name HG2* )) ! #SUP 0.44 assign ((resid 54 and name HB1 )) ((resid 59 and name HD1* )) 5.06 3.26 0.00 ! #SUP 3.69 or ((resid 12 and name HD2* )) ((resid 44 and name HB1 )) ! #SUP 2.36 assign ((resid 8 and name HB2 )) ((resid 20 and name HG2* )) 4.21 2.41 0.00 ! #SUP 3.29 or ((resid 43 and name HG2* )) ((resid 44 and name HB1 )) ! #SUP 5.43 or ((resid 54 and name HB1 )) ((resid 59 and name HG11 )) ! #SUP 1.79 or ((resid 53 and name HG12 )) ((resid 54 and name HB1 )) ! #SUP 3.85 or ((resid 8 and name HB2 )) ((resid 9 and name HG2* )) ! #SUP 3.95 assign ((resid 39 and name HG2 )) ((resid 42 and name HB2 )) 5.44 3.64 0.00 ! #SUP 0.71 or ((resid 40 and name HB2 )) ((resid 42 and name HB2 )) ! #SUP 0.63 assign ((resid 8 and name HB1 )) ((resid 20 and name HB )) 3.94 2.14 0.00 ! #SUP 3.92 or ((resid 7 and name HB )) ((resid 8 and name HB1 )) ! #SUP 4.09 assign ((resid 42 and name HB2 )) ((resid 42 and name HE* )) 4.82 3.02 0.00 ! #SUP 5.23 or ((resid 42 and name HB1 )) ((resid 42 and name HE* )) ! #SUP 5.75 assign ((resid 17 and name HB2 )) ((resid 29 and name HB2 )) 5.00 3.20 0.00 ! #SUP 4.88 or ((resid 17 and name HG1 )) ((resid 29 and name HB2 )) ! #SUP 3.97 assign ((resid 17 and name HG1 )) ((resid 29 and name HB1 )) 4.92 3.12 0.00 ! #SUP 1.73 or ((resid 17 and name HB2 )) ((resid 29 and name HB1 )) ! #SUP 4.36 assign ((resid 1 and name HG* )) ((resid 19 and name HB2 )) 4.66 2.86 0.00 ! #SUP 2.42 or ((resid 6 and name HG2* )) ((resid 19 and name HB2 )) ! #SUP 3.86 assign ((resid 1 and name HG* )) ((resid 19 and name HB1 )) 4.94 3.14 0.00 ! #SUP 2.43 or ((resid 6 and name HG2* )) ((resid 19 and name HB1 )) ! #SUP 3.85 assign ((resid 6 and name HG1* )) ((resid 19 and name HB1 )) 5.02 3.22 0.00 ! #SUP 2.77 or ((resid 19 and name HB1 )) ((resid 59 and name HG2* )) ! #SUP 1.36 assign ((resid 21 and name HD* )) ((resid 25 and name HB1 )) 4.00 2.20 0.00 ! #SUP 6.33 or ((resid 6 and name HB )) ((resid 21 and name HD* )) ! #SUP 4.29 assign ((resid 21 and name HA )) ((resid 22 and name HB* )) 4.37 2.57 0.00 ! #SUP 5.66 or ((resid 20 and name HB )) ((resid 21 and name HA )) ! #SUP 4.01 or ((resid 21 and name HA )) ((resid 25 and name HB1 )) ! #SUP 2.70 assign ((resid 68 and name HB2 )) ((resid 68 and name HG1 )) 3.04 1.24 0.00 ! #SUP 5.68 or ((resid 34 and name HB2 )) ((resid 34 and name HG1 )) ! #SUP 6.10 or ((resid 68 and name HB2 )) ((resid 68 and name HG2 )) ! #SUP 5.16 assign ((resid 34 and name HB1 )) ((resid 34 and name HG1 )) 2.99 1.19 0.00 ! #SUP 5.87 or ((resid 68 and name HB1 )) ((resid 68 and name HG1 )) ! #SUP 5.32 assign ((resid 3 and name HB1 )) ((resid 3 and name HG1 )) 2.77 0.97 0.00 ! #SUP 5.07 or ((resid 26 and name HB1 )) ((resid 26 and name HG1 )) ! #SUP 3.94 or ((resid 3 and name HG1 )) ((resid 3 and name HE# )) ! #SUP 3.38 or ((resid 38 and name HB2 )) ((resid 38 and name HG1 )) ! #SUP 5.34 assign ((resid 20 and name HG2* )) ((resid 26 and name HG2 )) 3.91 2.11 0.00 ! #SUP 5.16 or ((resid 20 and name HG1* )) ((resid 26 and name HG2 )) ! #SUP 3.74 assign ((resid 20 and name HG2* )) ((resid 26 and name HG1 )) 3.84 2.04 0.00 ! #SUP 6.47 or ((resid 20 and name HG1* )) ((resid 26 and name HG1 )) ! #SUP 5.03 assign ((resid 3 and name HA )) ((resid 3 and name HG1 )) 3.53 1.73 0.00 ! #SUP 6.00 or ((resid 20 and name HA )) ((resid 26 and name HG1 )) ! #SUP 5.43 assign ((resid 31 and name HB2 )) ((resid 31 and name HD1 )) 3.54 1.74 0.00 ! #SUP 6.69 or ((resid 31 and name HB2 )) ((resid 31 and name HD2 )) ! #SUP 6.88 assign ((resid 36 and name HB1 )) ((resid 36 and name HG* )) 3.00 1.20 0.00 ! #SUP 4.62 or ((resid 36 and name HG* )) ((resid 36 and name HE# )) ! #SUP 2.68 assign ((resid 67 and name HB2 )) ((resid 67 and name HG2 )) 2.94 1.14 0.00 ! #SUP 5.21 or ((resid 67 and name HB2 )) ((resid 67 and name HG1 )) ! #SUP 5.13 assign ((resid 72 and name HB1 )) ((resid 72 and name HG* )) 2.59 0.79 0.00 ! #SUP 2.96 or ((resid 64 and name HB1 )) ((resid 64 and name HG* )) ! #SUP 3.86 assign ((resid 11 and name HB2 )) ((resid 47 and name HB1 )) 4.13 2.33 0.00 ! #SUP 3.83 or ((resid 11 and name HB1 )) ((resid 47 and name HB1 )) ! #SUP 2.95 or ((resid 47 and name HB1 )) ((resid 48 and name HB1 )) ! #SUP 3.81 assign ((resid 11 and name HB2 )) ((resid 47 and name HB2 )) 4.26 2.46 0.00 ! #SUP 3.07 or ((resid 47 and name HB2 )) ((resid 48 and name HB1 )) ! #SUP 4.65 or ((resid 11 and name HB1 )) ((resid 47 and name HB2 )) ! #SUP 3.04 assign ((resid 17 and name HD* )) ((resid 29 and name HB2 )) 3.45 1.65 0.00 ! #SUP 1.53 or ((resid 17 and name HD* )) ((resid 18 and name HB )) ! #SUP 4.83 assign ((resid 42 and name HB1 )) ((resid 42 and name HD* )) 2.40 0.60 0.00 ! #SUP 4.83 or ((resid 42 and name HB2 )) ((resid 42 and name HD* )) ! #SUP 5.20 assign ((resid 17 and name HD* )) ((resid 17 and name HE1 )) 2.86 1.06 0.00 ! #SUP 6.86 or ((resid 42 and name HD* )) ((resid 42 and name HE* )) ! #SUP 4.56 or ((resid 17 and name HD* )) ((resid 17 and name HE2 )) ! #SUP 5.30 assign ((resid 17 and name HG1 )) ((resid 17 and name HD* )) 2.91 1.11 0.00 ! #SUP 7.45 or ((resid 17 and name HB2 )) ((resid 17 and name HD* )) ! #SUP 6.86 assign ((resid 34 and name HG1 )) ((resid 34 and name HD* )) 2.70 0.90 0.00 ! #SUP 6.51 or ((resid 68 and name HG1 )) ((resid 68 and name HD* )) ! #SUP 4.49 or ((resid 68 and name HG2 )) ((resid 68 and name HD* )) ! #SUP 3.69 assign ((resid 31 and name HB1 )) ((resid 31 and name HD1 )) 2.85 1.05 0.00 ! #SUP 6.99 or ((resid 31 and name HB1 )) ((resid 31 and name HD2 )) ! #SUP 7.18 assign ((resid 34 and name HA )) ((resid 34 and name HD* )) 3.66 1.86 0.00 ! #SUP 6.61 or ((resid 55 and name HA )) ((resid 55 and name HD2 )) ! #SUP 6.78 assign ((resid 42 and name HG2 )) ((resid 53 and name HG11 )) 4.84 3.04 0.00 ! #SUP 2.21 or ((resid 53 and name HG11 )) ((resid 55 and name HD1 )) ! #SUP 1.27 assign ((resid 39 and name HG2 )) ((resid 42 and name HB1 )) 4.28 2.48 0.00 ! #SUP 2.65 or ((resid 39 and name HG2 )) ((resid 42 and name HB2 )) ! #SUP 0.71 assign ((resid 67 and name HG1 )) ((resid 68 and name HG1 )) 3.26 1.46 0.00 ! #SUP 4.25 or ((resid 67 and name HG1 )) ((resid 68 and name HG2 )) ! #SUP 4.28 assign ((resid 38 and name HE# )) ((resid 59 and name HG12 )) 4.75 2.95 0.00 ! #SUP 1.17 or ((resid 26 and name HB1 )) ((resid 59 and name HG12 )) ! #SUP 0.75 assign ((resid 26 and name HE# )) ((resid 59 and name HG11 )) 4.34 2.54 0.00 ! #SUP 1.50 or ((resid 43 and name HB )) ((resid 53 and name HG12 )) ! #SUP 1.57 assign ((resid 52 and name HG2* )) ((resid 61 and name HG1 )) 5.05 3.25 0.00 ! #SUP 4.00 or ((resid 52 and name HG2* )) ((resid 61 and name HG1 )) ! #SUP 4.00 assign ((resid 67 and name HA )) ((resid 67 and name HG2 )) 3.74 1.94 0.00 ! #SUP 5.37 or ((resid 67 and name HG2 )) ((resid 68 and name HA )) ! #SUP 4.33 assign ((resid 67 and name HB1 )) ((resid 67 and name HG2 )) 2.85 1.05 0.00 ! #SUP 5.44 or ((resid 67 and name HG2 )) ((resid 68 and name HB1 )) ! #SUP 4.33 assign ((resid 67 and name HA )) ((resid 67 and name HG1 )) 3.44 1.64 0.00 ! #SUP 5.34 or ((resid 66 and name HA )) ((resid 66 and name HG )) ! #SUP 4.26 or ((resid 67 and name HG1 )) ((resid 68 and name HA )) ! #SUP 4.85 assign ((resid 47 and name HG* )) ((resid 47 and name HD* )) 2.74 0.94 0.00 ! #SUP 4.62 or ((resid 67 and name HG1 )) ((resid 67 and name HD* )) ! #SUP 4.43 assign ((resid 12 and name HB1 )) ((resid 12 and name HD1* )) 4.12 2.32 0.00 ! #SUP 4.89 or ((resid 12 and name HD1* )) ((resid 44 and name HB1 )) ! #SUP 4.60 assign ((resid 7 and name HG2* )) ((resid 22 and name HG* )) 4.21 2.41 0.00 ! #SUP 4.92 or ((resid 6 and name HG2* )) ((resid 22 and name HG* )) ! #SUP 3.76 assign ((resid 25 and name HG1 )) ((resid 25 and name HE* )) 3.89 2.09 0.00 ! #SUP 4.39 or ((resid 51 and name HG1 )) ((resid 51 and name HE* )) ! #SUP 2.76 assign ((resid 66 and name HA )) ((resid 66 and name HD1* )) 4.28 2.48 0.00 ! #SUP 5.11 or ((resid 66 and name HD1* )) ((resid 67 and name HA )) ! #SUP 4.55 assign ((resid 17 and name HG1 )) ((resid 17 and name HE1 )) 3.55 1.75 0.00 ! #SUP 6.98 or ((resid 17 and name HG1 )) ((resid 17 and name HE2 )) ! #SUP 5.26 assign ((resid 44 and name HB2 )) ((resid 52 and name HG12 )) 4.53 2.73 0.00 ! #SUP 2.83 or ((resid 18 and name HB )) ((resid 52 and name HG12 )) ! #SUP 1.19 or ((resid 44 and name HE# )) ((resid 52 and name HG12 )) ! #SUP 1.22 or ((resid 43 and name HB )) ((resid 52 and name HG12 )) ! #SUP 1.54 assign ((resid 68 and name HA )) ((resid 68 and name HG2 )) 4.13 2.33 0.00 ! #SUP 4.63 or ((resid 67 and name HA )) ((resid 68 and name HG2 )) ! #SUP 3.77 assign ((resid 34 and name HG1 )) ((resid 34 and name HE* )) 3.59 1.79 0.00 ! #SUP 3.50 or ((resid 68 and name HG1 )) ((resid 68 and name HE* )) ! #SUP 3.02 assign ((resid 34 and name HG1 )) ((resid 34 and name HD* )) 2.70 0.90 0.00 ! #SUP 6.51 or ((resid 68 and name HG1 )) ((resid 68 and name HD* )) ! #SUP 4.49 or ((resid 67 and name HG2 )) ((resid 68 and name HG1 )) ! #SUP 5.22 assign ((resid 42 and name HB1 )) ((resid 42 and name HG2 )) 2.79 0.99 0.00 ! #SUP 6.18 or ((resid 42 and name HB2 )) ((resid 42 and name HG2 )) ! #SUP 7.03 assign ((resid 42 and name HB1 )) ((resid 42 and name HG1 )) 2.88 1.08 0.00 ! #SUP 5.54 or ((resid 42 and name HB2 )) ((resid 42 and name HG1 )) ! #SUP 6.19 assign ((resid 8 and name HB1 )) ((resid 8 and name HG1 )) 3.00 1.20 0.00 ! #SUP 5.71 or ((resid 8 and name HG2 )) ((resid 8 and name HD* )) ! #SUP 7.64 or ((resid 8 and name HG1 )) ((resid 8 and name HD* )) ! #SUP 6.69 or ((resid 8 and name HB1 )) ((resid 8 and name HG2 )) ! #SUP 6.34 assign ((resid 66 and name HA )) ((resid 66 and name HD2* )) 3.10 1.30 0.00 ! #SUP 5.00 or ((resid 66 and name HD2* )) ((resid 67 and name HA )) ! #SUP 4.58 assign ((resid 43 and name HG1* )) ((resid 53 and name HG2* )) 4.14 2.34 0.00 ! #SUP 2.38 or ((resid 43 and name HG1* )) ((resid 53 and name HD1* )) ! #SUP 2.02 assign ((resid 43 and name HG2* )) ((resid 51 and name HB1 )) 3.86 2.06 0.00 ! #SUP 2.21 or ((resid 43 and name HG2* )) ((resid 44 and name HB1 )) ! #SUP 5.43 assign ((resid 9 and name HG2* )) ((resid 17 and name HD* )) 3.76 1.96 0.00 ! #SUP 2.22 or ((resid 42 and name HD* )) ((resid 43 and name HG2* )) ! #SUP 3.20 assign ((resid 43 and name HA )) ((resid 43 and name HG1* )) 3.64 1.84 0.00 ! #SUP 4.97 or ((resid 6 and name HA )) ((resid 6 and name HG2* )) ! #SUP 5.23 assign ((resid 12 and name HD2* )) ((resid 46 and name HG2* )) 3.49 1.69 0.00 ! #SUP 5.79 or ((resid 46 and name HG2* )) ((resid 52 and name HG2* )) ! #SUP 3.85 or ((resid 46 and name HG2* )) ((resid 52 and name HG2* )) ! #SUP 3.85 assign ((resid 9 and name HG2* )) ((resid 17 and name HB2 )) 3.95 2.15 0.00 ! #SUP 2.61 or ((resid 9 and name HG2* )) ((resid 17 and name HG1 )) ! #SUP 2.59 assign ((resid 6 and name HG2* )) ((resid 19 and name HA )) 4.48 2.68 0.00 ! #SUP 2.08 or ((resid 6 and name HG2* )) ((resid 9 and name HA )) ! #SUP 1.34 assign ((resid 6 and name HG2* )) ((resid 8 and name HA )) 4.52 2.72 0.00 ! #SUP 2.05 or ((resid 6 and name HG2* )) ((resid 20 and name HA )) ! #SUP 3.19 or ((resid 3 and name HA )) ((resid 6 and name HG2* )) ! #SUP 4.24 assign ((resid 18 and name HG1* )) ((resid 28 and name HG2 )) 3.73 1.93 0.00 ! #SUP 3.94 or ((resid 18 and name HG1* )) ((resid 28 and name HG1 )) ! #SUP 4.52 assign ((resid 18 and name HG2* )) ((resid 20 and name HG2* )) 2.94 1.14 0.00 ! #SUP 2.23 or ((resid 9 and name HG2* )) ((resid 18 and name HG2* )) ! #SUP 4.66 or ((resid 18 and name HG2* )) ((resid 59 and name HG11 )) ! #SUP 0.75 or ((resid 7 and name HG1* )) ((resid 20 and name HG2* )) ! #SUP 1.89 assign ((resid 19 and name HA )) ((resid 20 and name HG2* )) 4.61 2.81 0.00 ! #SUP 4.54 or ((resid 9 and name HA )) ((resid 20 and name HG2* )) ! #SUP 2.06 assign ((resid 20 and name HG2* )) ((resid 26 and name HG1 )) 3.74 1.94 0.00 ! #SUP 6.47 or ((resid 20 and name HG2* )) ((resid 26 and name HG2 )) ! #SUP 5.16 assign ((resid 18 and name HG2* )) ((resid 20 and name HG2* )) 2.95 1.15 0.00 ! #SUP 2.23 or ((resid 18 and name HG2* )) ((resid 59 and name HG11 )) ! #SUP 0.75 or ((resid 9 and name HG2* )) ((resid 18 and name HG2* )) ! #SUP 4.66 assign ((resid 50 and name HG2* )) ((resid 52 and name HG2* )) 4.12 2.32 0.00 ! #SUP 2.21 or ((resid 50 and name HG2* )) ((resid 52 and name HG2* )) ! #SUP 2.21 assign ((resid 10 and name HB1 )) ((resid 18 and name HG2* )) 3.96 2.16 0.00 ! #SUP 4.86 or ((resid 18 and name HG2* )) ((resid 26 and name HG1 )) ! #SUP 1.03 or ((resid 18 and name HG2* )) ((resid 19 and name HB2 )) ! #SUP 4.28 assign ((resid 7 and name HG2* )) ((resid 20 and name HG1* )) 3.17 1.37 0.00 ! #SUP 2.83 or ((resid 7 and name HG2* )) ((resid 20 and name HG2* )) ! #SUP 3.93 assign ((resid 1 and name HG* )) ((resid 3 and name HA )) 4.22 2.42 0.00 ! #SUP 2.23 or ((resid 1 and name HG* )) ((resid 20 and name HA )) ! #SUP 1.27 assign ((resid 7 and name HG2* )) ((resid 22 and name HG* )) 3.63 1.83 0.00 ! #SUP 4.92 or ((resid 7 and name HG2* )) ((resid 8 and name HB1 )) ! #SUP 3.78 assign ((resid 54 and name HE# )) ((resid 57 and name HA )) 3.23 1.43 0.00 ! #SUP 3.53 or ((resid 40 and name HA )) ((resid 54 and name HE# )) ! #SUP 1.49 assign ((resid 54 and name HG2 )) ((resid 54 and name HE# )) 3.06 1.26 0.00 ! #SUP 1.34 or ((resid 40 and name HG2 )) ((resid 54 and name HE# )) ! #SUP 1.52 assign ((resid 28 and name HG2 )) ((resid 28 and name HE# )) 2.80 1.00 0.00 ! #SUP 2.30 or ((resid 28 and name HG1 )) ((resid 28 and name HE# )) ! #SUP 2.79 assign ((resid 28 and name HE# )) ((resid 36 and name HE# )) 2.56 0.76 0.00 ! #SUP 0.52 or ((resid 54 and name HB2 )) ((resid 54 and name HE# )) ! #SUP 3.44 assign ((resid 12 and name HD1* )) ((resid 44 and name HE# )) 3.42 1.62 0.00 ! #SUP 1.51 or ((resid 44 and name HE# )) ((resid 53 and name HB )) ! #SUP 2.64 assign ((resid 38 and name HG1 )) ((resid 38 and name HE# )) 3.36 1.56 0.00 ! #SUP 3.57 or ((resid 44 and name HG* )) ((resid 44 and name HE# )) ! #SUP 1.35 assign ((resid 20 and name HG2* )) ((resid 59 and name HG2* )) 5.09 3.29 0.00 ! #SUP 3.77 or ((resid 20 and name HG1* )) ((resid 59 and name HG2* )) ! #SUP 2.43 assign ((resid 38 and name HB1 )) ((resid 38 and name HE# )) 3.07 1.27 0.00 ! #SUP 3.31 or ((resid 38 and name HE# )) ((resid 59 and name HB )) ! #SUP 1.20 or ((resid 44 and name HB1 )) ((resid 44 and name HE# )) ! #SUP 2.83 assign ((resid 26 and name HG1 )) ((resid 26 and name HE# )) 2.99 1.19 0.00 ! #SUP 2.91 or ((resid 26 and name HG2 )) ((resid 26 and name HE# )) ! #SUP 2.40 assign ((resid 20 and name HG2* )) ((resid 26 and name HE# )) 3.10 1.30 0.00 ! #SUP 2.79 or ((resid 26 and name HE# )) ((resid 59 and name HG11 )) ! #SUP 1.50 assign ((resid 59 and name HG2* )) ((resid 59 and name HG11 )) 4.01 2.21 0.00 ! #SUP 4.68 or ((resid 20 and name HG2* )) ((resid 59 and name HG2* )) ! #SUP 3.77 assign ((resid 10 and name HE* )) ((resid 52 and name HG2* )) 4.40 2.60 0.00 ! #SUP 0.35 or ((resid 10 and name HE* )) ((resid 52 and name HG2* )) ! #SUP 0.35 assign ((resid 52 and name HA )) ((resid 52 and name HG2* )) 3.68 1.88 0.00 ! #SUP 7.16 or ((resid 52 and name HA )) ((resid 52 and name HG2* )) ! #SUP 7.16 assign ((resid 52 and name HG2* )) ((resid 61 and name HA )) 3.95 2.15 0.00 ! #SUP 3.88 or ((resid 52 and name HG2* )) ((resid 61 and name HA )) ! #SUP 3.88 assign ((resid 52 and name HG2* )) ((resid 61 and name HG2 )) 4.65 2.85 0.00 ! #SUP 3.92 or ((resid 52 and name HG2* )) ((resid 61 and name HG2 )) ! #SUP 3.92 assign ((resid 52 and name HG2* )) ((resid 52 and name HG12 )) 3.64 1.84 0.00 ! #SUP 6.75 or ((resid 52 and name HG2* )) ((resid 52 and name HG12 )) ! #SUP 6.75 or ((resid 46 and name HG2* )) ((resid 52 and name HG2* )) ! #SUP 3.85 or ((resid 46 and name HG2* )) ((resid 52 and name HG2* )) ! #SUP 3.85 assign ((resid 52 and name HG2* )) ((resid 52 and name HD1* )) 3.59 1.79 0.00 ! #SUP 5.59 or ((resid 52 and name HG2* )) ((resid 52 and name HD1* )) ! #SUP 5.59 assign ((resid 52 and name HG2* )) ((resid 61 and name HB* )) 4.53 2.73 0.00 ! #SUP 6.80 or ((resid 52 and name HG2* )) ((resid 61 and name HB* )) ! #SUP 6.80 assign ((resid 54 and name HG2 )) ((resid 59 and name HD1* )) 4.21 2.41 0.00 ! #SUP 5.02 or ((resid 54 and name HG1 )) ((resid 59 and name HD1* )) ! #SUP 3.16 assign ((resid 58 and name HB* )) ((resid 59 and name HD1* )) 3.56 1.76 0.00 ! #SUP 2.87 or ((resid 38 and name HE# )) ((resid 59 and name HD1* )) ! #SUP 1.13 or ((resid 18 and name HB )) ((resid 59 and name HD1* )) ! #SUP 0.75 assign ((resid 62 and name HN )) ((resid 62 and name HD1* )) 4.80 3.00 0.00 ! #SUP 8.32 or ((resid 52 and name HG2* )) ((resid 62 and name HN )) ! #SUP 3.47 or ((resid 52 and name HG2* )) ((resid 62 and name HN )) ! #SUP 3.47 assign ((resid 61 and name HD1 )) ((resid 62 and name HN )) 5.50 3.70 0.00 ! #SUP 6.55 or ((resid 61 and name HD2 )) ((resid 62 and name HN )) ! #SUP 5.79 assign ((resid 62 and name HN )) ((resid 63 and name HB2 )) 5.50 3.70 0.00 ! #SUP 5.47 or ((resid 60 and name HB2 )) ((resid 62 and name HN )) ! #SUP 3.99 assign ((resid 44 and name HN )) ((resid 53 and name HG2* )) 5.50 3.70 0.00 ! #SUP 5.11 or ((resid 44 and name HN )) ((resid 53 and name HD1* )) ! #SUP 4.38 assign ((resid 43 and name HN )) ((resid 44 and name HN )) 5.28 3.48 0.00 ! #SUP 4.46 or ((resid 44 and name HN )) ((resid 53 and name HN )) ! #SUP 5.83 assign ((resid 44 and name HN )) ((resid 53 and name HB )) 4.72 2.92 0.00 ! #SUP 5.64 or ((resid 12 and name HD1* )) ((resid 44 and name HN )) ! #SUP 4.42 assign ((resid 44 and name HN )) ((resid 52 and name HG2* )) 5.50 3.70 0.00 ! #SUP 4.95 or ((resid 44 and name HN )) ((resid 52 and name HG2* )) ! #SUP 4.95 or ((resid 12 and name HD2* )) ((resid 44 and name HN )) ! #SUP 2.59 assign ((resid 53 and name HD1* )) ((resid 54 and name HN )) 5.03 3.23 0.00 ! #SUP 6.76 or ((resid 53 and name HG2* )) ((resid 54 and name HN )) ! #SUP 5.72 assign ((resid 43 and name HN )) ((resid 44 and name HN )) 5.33 3.53 0.00 ! #SUP 4.46 or ((resid 41 and name HN )) ((resid 43 and name HN )) ! #SUP 2.85 assign ((resid 42 and name HB2 )) ((resid 43 and name HN )) 5.05 3.25 0.00 ! #SUP 6.26 or ((resid 42 and name HB1 )) ((resid 43 and name HN )) ! #SUP 6.40 assign ((resid 43 and name HN )) ((resid 43 and name HG2* )) 4.59 2.79 0.00 ! #SUP 6.34 or ((resid 43 and name HN )) ((resid 53 and name HG12 )) ! #SUP 3.33 assign ((resid 43 and name HN )) ((resid 53 and name HG2* )) 5.48 3.68 0.00 ! #SUP 3.48 or ((resid 43 and name HN )) ((resid 53 and name HD1* )) ! #SUP 3.85 assign ((resid 59 and name HG2* )) ((resid 60 and name HN )) 5.08 3.28 0.00 ! #SUP 5.23 or ((resid 52 and name HG2* )) ((resid 60 and name HN )) ! #SUP 6.22 or ((resid 52 and name HG2* )) ((resid 60 and name HN )) ! #SUP 6.22 assign ((resid 53 and name HG2* )) ((resid 60 and name HN )) 4.93 3.13 0.00 ! #SUP 5.63 or ((resid 53 and name HD1* )) ((resid 60 and name HN )) ! #SUP 1.79 assign ((resid 20 and name HB )) ((resid 21 and name HN )) 4.16 2.36 0.00 ! #SUP 5.07 or ((resid 21 and name HN )) ((resid 25 and name HB1 )) ! #SUP 6.38 or ((resid 21 and name HN )) ((resid 26 and name HB1 )) ! #SUP 4.54 assign ((resid 64 and name HN )) ((resid 64 and name HG* )) 3.80 2.00 0.00 ! #SUP 5.07 or ((resid 63 and name HB1 )) ((resid 64 and name HN )) ! #SUP 4.72 assign ((resid 10 and name HN )) ((resid 11 and name HN )) 4.73 2.93 0.00 ! #SUP 5.26 or ((resid 10 and name HN )) ((resid 20 and name HN )) ! #SUP 0.75 or ((resid 10 and name HN )) ((resid 17 and name HN )) ! a la main assign ((resid 9 and name HA )) ((resid 10 and name HN )) 3.51 1.71 0.00 ! #SUP 5.23 or ((resid 10 and name HN )) ((resid 19 and name HA )) ! #SUP 3.25 assign ((resid 10 and name HN )) ((resid 18 and name HG2* )) 4.98 3.18 0.00 ! #SUP 6.15 or ((resid 8 and name HG2 )) ((resid 10 and name HN )) ! #SUP 3.55 assign ((resid 55 and name HN )) ((resid 57 and name HA )) 5.35 3.55 0.00 ! #SUP 4.14 or ((resid 40 and name HA )) ((resid 55 and name HN )) ! #SUP 1.12 assign ((resid 54 and name HG2 )) ((resid 55 and name HN )) 4.38 2.58 0.00 ! #SUP 4.09 or ((resid 40 and name HG2 )) ((resid 55 and name HN )) ! #SUP 3.44 assign ((resid 53 and name HD1* )) ((resid 55 and name HN )) 5.50 3.70 0.00 ! #SUP 5.45 or ((resid 53 and name HG2* )) ((resid 55 and name HN )) ! #SUP 1.22 assign ((resid 19 and name HN )) ((resid 28 and name HA )) 4.06 2.26 0.00 ! #SUP 3.09 or ((resid 19 and name HN )) ((resid 26 and name HA )) ! #SUP 4.21 assign ((resid 19 and name HN )) ((resid 27 and name HA2 )) 5.50 3.70 0.00 ! #SUP 2.17 or ((resid 10 and name HA )) ((resid 19 and name HN )) ! #SUP 3.40 assign ((resid 18 and name HB )) ((resid 19 and name HN )) 4.45 2.65 0.00 ! #SUP 4.60 or ((resid 19 and name HN )) ((resid 26 and name HB1 )) ! #SUP 4.32 assign ((resid 1 and name HG* )) ((resid 19 and name HN )) 5.19 3.39 0.00 ! #SUP 3.04 or ((resid 6 and name HG2* )) ((resid 19 and name HN )) ! #SUP 3.76 assign ((resid 19 and name HN )) ((resid 59 and name HG2* )) 5.50 3.70 0.00 ! #SUP 0.89 or ((resid 6 and name HG1* )) ((resid 19 and name HN )) ! #SUP 3.35 or ((resid 12 and name HD2* )) ((resid 19 and name HN )) ! #SUP 1.08 !assign ((resid 11 and name HN )) ((resid 47 and name HN )) 4.82 3.02 0.00 ! #SUP 5.44 diagonale !or ((resid 11 and name HN )) ((resid 46 and name HN )) ! #SUP 2.96 diagonale !assign ((resid 10 and name HB1 )) ((resid 11 and name HN )) 3.33 1.53 0.00 ! #SUP 5.76 !or ((resid 11 and name HN )) ((resid 11 and name HB1 )) ! #SUP 3.89 assign ((resid 11 and name HN )) ((resid 18 and name HG2* )) 5.50 3.70 0.00 ! #SUP 3.97 or ((resid 11 and name HN )) ((resid 12 and name HD1* )) ! #SUP 3.74 or ((resid 8 and name HG2 )) ((resid 11 and name HN )) ! #SUP 0.91 assign ((resid 39 and name HD2 )) ((resid 40 and name HN )) 5.50 3.70 0.00 ! #SUP 5.13 or ((resid 40 and name HN )) ((resid 41 and name HA2 )) ! #SUP 3.69 assign ((resid 3 and name HN )) ((resid 4 and name HN )) 3.60 1.80 0.00 ! #SUP 8.05 or ((resid 2 and name HN )) ((resid 3 and name HN )) ! #SUP 5.35 assign ((resid 3 and name HN )) ((resid 3 and name HB1 )) 3.28 1.48 0.00 ! #SUP 6.01 or ((resid 3 and name HN )) ((resid 6 and name HB )) ! #SUP 3.67 assign ((resid 1 and name HG* )) ((resid 3 and name HN )) 4.69 2.89 0.00 ! #SUP 3.65 or ((resid 3 and name HN )) ((resid 6 and name HG2* )) ! #SUP 3.95 assign ((resid 18 and name HA )) ((resid 29 and name HN )) 4.03 2.23 0.00 ! #SUP 4.37 or ((resid 16 and name HA )) ((resid 29 and name HN )) ! #SUP 2.26 assign ((resid 28 and name HG1 )) ((resid 29 and name HN )) 3.82 2.02 0.00 ! #SUP 4.43 or ((resid 28 and name HG2 )) ((resid 29 and name HN )) ! #SUP 5.12 assign ((resid 29 and name HN )) ((resid 36 and name HE# )) 5.50 3.70 0.00 ! #SUP 2.10 or ((resid 29 and name HN )) ((resid 36 and name HB1 )) ! #SUP 1.04 assign ((resid 28 and name HE# )) ((resid 29 and name HN )) 4.17 2.37 0.00 ! #SUP 2.92 or ((resid 28 and name HB2 )) ((resid 29 and name HN )) ! #SUP 4.66 assign ((resid 17 and name HB2 )) ((resid 29 and name HN )) 4.84 3.04 0.00 ! #SUP 5.55 or ((resid 17 and name HG1 )) ((resid 29 and name HN )) ! #SUP 3.91 assign ((resid 29 and name HN )) ((resid 30 and name HA )) 5.34 3.54 0.00 ! #SUP 2.81 or ((resid 29 and name HN )) ((resid 35 and name HA )) ! #SUP 1.25 assign ((resid 7 and name HN )) ((resid 8 and name HA )) 5.33 3.53 0.00 ! #SUP 4.64 or ((resid 7 and name HN )) ((resid 20 and name HA )) ! #SUP 4.96 assign ((resid 7 and name HN )) ((resid 7 and name HB )) 3.96 2.16 0.00 ! #SUP 4.81 or ((resid 7 and name HN )) ((resid 20 and name HB )) ! #SUP 6.43 or ((resid 6 and name HB )) ((resid 7 and name HN )) ! #SUP 4.16 assign ((resid 7 and name HN )) ((resid 22 and name HG* )) 5.50 3.70 0.00 ! #SUP 4.69 or ((resid 7 and name HN )) ((resid 8 and name HB1 )) ! #SUP 4.58 assign ((resid 7 and name HN )) ((resid 20 and name HG1* )) 5.50 3.70 0.00 ! #SUP 6.12 or ((resid 7 and name HN )) ((resid 20 and name HG2* )) ! #SUP 6.07 assign ((resid 7 and name HN )) ((resid 7 and name HG2* )) 3.87 2.07 0.00 ! #SUP 5.30 or ((resid 6 and name HG2* )) ((resid 7 and name HN )) ! #SUP 5.68 assign ((resid 11 and name HN )) ((resid 12 and name HN )) 4.69 2.89 0.00 ! #SUP 6.45 or ((resid 12 and name HN )) ((resid 17 and name HN )) ! #SUP 10.00 assign ((resid 12 and name HN )) ((resid 16 and name HB1 )) 5.50 3.70 0.00 ! #SUP 5.86 or ((resid 12 and name HN )) ((resid 13 and name HA )) ! #SUP 4.41 assign ((resid 11 and name HB2 )) ((resid 12 and name HN )) 4.51 2.71 0.00 ! #SUP 4.74 or ((resid 10 and name HB2 )) ((resid 12 and name HN )) ! #SUP 3.51 assign ((resid 12 and name HN )) ((resid 17 and name HG1 )) 5.09 3.29 0.00 ! #SUP 4.21 or ((resid 12 and name HN )) ((resid 17 and name HB2 )) ! #SUP 4.69 assign ((resid 12 and name HN )) ((resid 46 and name HG2* )) 5.50 3.70 0.00 ! #SUP 4.01 or ((resid 12 and name HN )) ((resid 17 and name HB1 )) ! #SUP 4.81 assign ((resid 68 and name HN )) ((resid 68 and name HA )) 2.80 1.00 0.00 ! #SUP 6.21 or ((resid 67 and name HA )) ((resid 68 and name HN )) ! #SUP 5.21 assign ((resid 68 and name HN )) ((resid 68 and name HB1 )) 3.16 1.36 0.00 ! #SUP 5.55 or ((resid 67 and name HB1 )) ((resid 68 and name HN )) ! #SUP 6.00 assign ((resid 67 and name HG2 )) ((resid 68 and name HN )) 4.21 2.41 0.00 ! #SUP 5.50 or ((resid 68 and name HN )) ((resid 68 and name HD* )) ! #SUP 4.78 assign ((resid 68 and name HN )) ((resid 68 and name HG2 )) 4.12 2.32 0.00 ! #SUP 5.85 or ((resid 68 and name HN )) ((resid 68 and name HG1 )) ! #SUP 6.92 assign ((resid 45 and name HN )) ((resid 52 and name HN )) 5.28 3.48 0.00 ! #SUP 5.90 or ((resid 45 and name HN )) ((resid 46 and name HN )) ! #SUP 4.60 assign ((resid 12 and name HD2* )) ((resid 45 and name HN )) 5.19 3.39 0.00 ! #SUP 5.11 or ((resid 45 and name HN )) ((resid 52 and name HG2* )) ! #SUP 3.60 or ((resid 45 and name HN )) ((resid 52 and name HG2* )) ! #SUP 3.60 assign ((resid 46 and name HG2* )) ((resid 51 and name HN )) 4.47 2.67 0.00 ! #SUP 2.60 or ((resid 51 and name HN )) ((resid 52 and name HG12 )) ! #SUP 5.39 assign ((resid 51 and name HN )) ((resid 52 and name HG2* )) 4.67 2.87 0.00 ! #SUP 7.27 or ((resid 51 and name HN )) ((resid 52 and name HG2* )) ! #SUP 7.27 assign ((resid 9 and name HN )) ((resid 20 and name HB )) 5.46 3.66 0.00 ! #SUP 1.34 or ((resid 9 and name HN )) ((resid 18 and name HB )) ! #SUP 2.55 or ((resid 7 and name HB )) ((resid 9 and name HN )) ! #SUP 2.87 or ((resid 6 and name HB )) ((resid 9 and name HN )) ! #SUP 0.92 assign ((resid 9 and name HN )) ((resid 9 and name HG2* )) 4.20 2.40 0.00 ! #SUP 5.19 or ((resid 9 and name HN )) ((resid 20 and name HG2* )) ! #SUP 3.64 assign ((resid 8 and name HG2 )) ((resid 9 and name HN )) 3.53 1.73 0.00 ! #SUP 8.46 or ((resid 8 and name HG1 )) ((resid 9 and name HN )) ! #SUP 8.25 assign ((resid 6 and name HG2* )) ((resid 9 and name HN )) 4.79 2.99 0.00 ! #SUP 2.28 or ((resid 7 and name HG2* )) ((resid 9 and name HN )) ! #SUP 3.39 assign ((resid 4 and name HA )) ((resid 6 and name HN )) 4.13 2.33 0.00 ! #SUP 4.15 or ((resid 6 and name HN )) ((resid 7 and name HA )) ! #SUP 3.32 assign ((resid 6 and name HN )) ((resid 6 and name HG2* )) 3.87 2.07 0.00 ! #SUP 6.53 or ((resid 1 and name HG* )) ((resid 6 and name HN )) ! #SUP 2.42 assign ((resid 61 and name HN )) ((resid 61 and name HD1 )) 5.50 3.70 0.00 ! #SUP 5.82 or ((resid 61 and name HN )) ((resid 61 and name HD2 )) ! #SUP 4.93 assign ((resid 61 and name HN )) ((resid 63 and name HB2 )) 4.66 2.86 0.00 ! #SUP 4.81 or ((resid 60 and name HB2 )) ((resid 61 and name HN )) ! #SUP 5.40 !assign ((resid 52 and name HG2* )) ((resid 61 and name HN )) 5.27 3.47 0.00 ! #SUP 6.66 !or ((resid 52 and name HG2* )) ((resid 61 and name HN )) ! #SUP 6.66 !or ((resid 59 and name HG2* )) ((resid 61 and name HN )) ! #SUP 1.63 or ((resid 61 and name HN )) ((resid 62 and name HD1* )) ! #SUP 6.97 assign ((resid 61 and name HN )) ((resid 61 and name HG1 )) 4.73 2.93 0.00 ! #SUP 5.92 or ((resid 61 and name HN )) ((resid 62 and name HB2 )) ! #SUP 6.60 assign ((resid 11 and name HB2 )) ((resid 47 and name HN )) 4.92 3.12 0.00 ! #SUP 6.65 or ((resid 47 and name HN )) ((resid 48 and name HB1 )) ! #SUP 5.20 assign ((resid 47 and name HN )) ((resid 48 and name HA )) 5.50 3.70 0.00 ! #SUP 4.82 or ((resid 10 and name HA )) ((resid 47 and name HN )) ! #SUP 2.88 assign ((resid 19 and name HN )) ((resid 20 and name HN )) 4.91 3.11 0.00 ! #SUP 6.52 or ((resid 20 and name HN )) ((resid 21 and name HN )) ! #SUP 4.95 assign ((resid 19 and name HA )) ((resid 20 and name HN )) 3.32 1.52 0.00 ! #SUP 5.93 or ((resid 9 and name HA )) ((resid 20 and name HN )) ! #SUP 4.48 assign ((resid 18 and name HG2* )) ((resid 20 and name HN )) 4.75 2.95 0.00 ! #SUP 3.75 or ((resid 8 and name HG2 )) ((resid 20 and name HN )) ! #SUP 2.10 or ((resid 7 and name HG1* )) ((resid 20 and name HN )) ! #SUP 1.64 assign ((resid 6 and name HG2* )) ((resid 20 and name HN )) 4.23 2.43 0.00 ! #SUP 5.49 or ((resid 1 and name HG* )) ((resid 20 and name HN )) ! #SUP 3.05 or ((resid 7 and name HG2* )) ((resid 20 and name HN )) ! #SUP 5.10 assign ((resid 6 and name HG1* )) ((resid 20 and name HN )) 5.40 3.60 0.00 ! #SUP 3.48 or ((resid 20 and name HN )) ((resid 59 and name HG2* )) ! #SUP 1.60 assign ((resid 28 and name HN )) ((resid 29 and name HN )) 4.06 2.26 0.00 ! #SUP 3.98 or ((resid 27 and name HN )) ((resid 28 and name HN )) ! #SUP 3.75 assign ((resid 28 and name HN )) ((resid 36 and name HN )) 5.50 3.70 0.00 ! #SUP 0.47 or ((resid 26 and name HN )) ((resid 28 and name HN )) ! #SUP 1.52 assign ((resid 28 and name HN )) ((resid 28 and name HG2 )) 4.71 2.91 0.00 ! #SUP 4.85 or ((resid 28 and name HN )) ((resid 28 and name HG1 )) ! #SUP 5.67 assign ((resid 13 and name HN )) ((resid 13 and name HB2 )) 3.63 1.83 0.00 ! #SUP 4.90 or ((resid 12 and name HB2 )) ((resid 13 and name HN )) ! #SUP 6.18 assign ((resid 30 and name HN )) ((resid 36 and name HN )) 4.61 2.81 0.00 ! #SUP 4.04 or ((resid 36 and name HN )) ((resid 38 and name HN )) ! #SUP 1.89 assign ((resid 36 and name HN )) ((resid 36 and name HB1 )) 4.19 2.39 0.00 ! #SUP 4.79 or ((resid 36 and name HN )) ((resid 36 and name HE# )) ! #SUP 3.69 assign ((resid 40 and name HA )) ((resid 56 and name HN )) 5.12 3.32 0.00 ! #SUP 3.62 or ((resid 56 and name HN )) ((resid 57 and name HA )) ! #SUP 4.16 assign ((resid 55 and name HE* )) ((resid 56 and name HN )) 5.25 3.45 0.00 ! #SUP 7.01 or ((resid 56 and name HN )) ((resid 57 and name HB2 )) ! #SUP 3.78 assign ((resid 54 and name HE# )) ((resid 56 and name HN )) 5.50 3.70 0.00 ! #SUP 4.59 or ((resid 40 and name HB2 )) ((resid 56 and name HN )) ! #SUP 2.23 assign ((resid 8 and name HN )) ((resid 9 and name HA )) 4.90 3.10 0.00 ! #SUP 3.40 or ((resid 8 and name HN )) ((resid 19 and name HA )) ! #SUP 2.44 assign ((resid 8 and name HN )) ((resid 20 and name HB )) 3.57 1.77 0.00 ! #SUP 7.23 or ((resid 7 and name HB )) ((resid 8 and name HN )) ! #SUP 6.23 assign ((resid 8 and name HN )) ((resid 20 and name HG2* )) 4.61 2.81 0.00 ! #SUP 6.64 or ((resid 8 and name HN )) ((resid 20 and name HG1* )) ! #SUP 4.54 assign ((resid 7 and name HG1* )) ((resid 8 and name HN )) 4.13 2.33 0.00 ! #SUP 5.74 or ((resid 8 and name HN )) ((resid 8 and name HG2 )) ! #SUP 7.51 or ((resid 8 and name HN )) ((resid 8 and name HG1 )) ! #SUP 6.76 assign ((resid 6 and name HG2* )) ((resid 8 and name HN )) 3.57 1.77 0.00 ! #SUP 5.77 or ((resid 7 and name HG2* )) ((resid 8 and name HN )) ! #SUP 6.37 assign ((resid 21 and name HB1 )) ((resid 22 and name HN )) 3.92 2.12 0.00 ! #SUP 6.23 or ((resid 5 and name HB2 )) ((resid 22 and name HN )) ! #SUP 4.59 assign ((resid 7 and name HG2* )) ((resid 22 and name HN )) 4.58 2.78 0.00 ! #SUP 6.38 or ((resid 6 and name HG2* )) ((resid 22 and name HN )) ! #SUP 6.40 assign ((resid 64 and name HA )) ((resid 67 and name HN )) 3.95 2.15 0.00 ! #SUP 2.74 or ((resid 65 and name HA )) ((resid 67 and name HN )) ! #SUP 1.68 assign ((resid 66 and name HB* )) ((resid 67 and name HN )) 3.50 1.70 0.00 ! #SUP 4.90 or ((resid 67 and name HN )) ((resid 67 and name HG2 )) ! #SUP 6.81 !assign ((resid 17 and name HN )) ((resid 18 and name HN )) 5.29 3.49 0.00 ! #SUP 6.05 unambiguous on 11HN !or ((resid 11 and name HN )) ((resid 18 and name HN )) ! #SUP 7.61 not sure ?? assign ((resid 9 and name HA )) ((resid 18 and name HN )) 5.09 3.29 0.00 ! #SUP 4.76 or ((resid 18 and name HN )) ((resid 19 and name HA )) ! #SUP 3.47 assign ((resid 17 and name HB2 )) ((resid 18 and name HN )) 4.24 2.44 0.00 ! #SUP 5.95 or ((resid 17 and name HG1 )) ((resid 18 and name HN )) ! #SUP 6.48 assign ((resid 42 and name HN )) ((resid 42 and name HB1 )) 3.66 1.86 0.00 ! #SUP 5.23 or ((resid 42 and name HN )) ((resid 42 and name HB2 )) ! #SUP 6.65 assign ((resid 30 and name HA )) ((resid 34 and name HN )) 5.15 3.35 0.00 ! #SUP 3.71 or ((resid 34 and name HN )) ((resid 35 and name HA )) ! #SUP 3.11 assign ((resid 30 and name HB2 )) ((resid 34 and name HN )) 4.31 2.51 0.00 ! #SUP 6.01 or ((resid 32 and name HB2 )) ((resid 34 and name HN )) ! #SUP 5.46 assign ((resid 34 and name HN )) ((resid 34 and name HB2 )) 3.35 1.55 0.00 ! #SUP 7.41 or ((resid 29 and name HB1 )) ((resid 34 and name HN )) ! #SUP 5.95 assign ((resid 31 and name HB1 )) ((resid 34 and name HN )) 5.50 3.70 0.00 ! #SUP 2.56 or ((resid 17 and name HG1 )) ((resid 34 and name HN )) ! #SUP 0.24 or ((resid 17 and name HB2 )) ((resid 34 and name HN )) ! #SUP 0.30 assign ((resid 58 and name HG1 )) ((resid 59 and name HN )) 5.04 3.24 0.00 ! #SUP 4.78 or ((resid 54 and name HE# )) ((resid 59 and name HN )) ! #SUP 0.75 assign ((resid 20 and name HG2* )) ((resid 59 and name HN )) 4.81 3.01 0.00 ! #SUP 2.82 or ((resid 20 and name HG1* )) ((resid 59 and name HN )) ! #SUP 1.93 assign ((resid 30 and name HN )) ((resid 36 and name HN )) 4.61 2.81 0.00 ! #SUP 4.04 or ((resid 30 and name HN )) ((resid 31 and name HN )) ! #SUP 7.66 assign ((resid 30 and name HN )) ((resid 31 and name HA )) 4.50 2.70 0.00 ! #SUP 4.44 or ((resid 30 and name HN )) ((resid 35 and name HB* )) ! #SUP 3.21 or ((resid 30 and name HN )) ((resid 33 and name HA1 )) ! #SUP 2.37 assign ((resid 30 and name HN )) ((resid 36 and name HE# )) 5.31 3.51 0.00 ! #SUP 3.80 or ((resid 30 and name HN )) ((resid 36 and name HB1 )) ! #SUP 2.66 assign ((resid 29 and name HB1 )) ((resid 30 and name HN )) 3.63 1.83 0.00 ! #SUP 4.22 or ((resid 30 and name HN )) ((resid 34 and name HB2 )) ! #SUP 4.44 assign ((resid 30 and name HN )) ((resid 34 and name HG1 )) 5.50 3.70 0.00 ! #SUP 3.55 or ((resid 30 and name HN )) ((resid 31 and name HD2 )) ! #SUP 4.94 or ((resid 30 and name HN )) ((resid 31 and name HD1 )) ! #SUP 4.74 assign ((resid 36 and name HB1 )) ((resid 37 and name HN )) 3.68 1.88 0.00 ! #SUP 4.62 or ((resid 36 and name HE# )) ((resid 37 and name HN )) ! #SUP 3.90 assign ((resid 17 and name HN )) ((resid 30 and name HA )) 4.34 2.54 0.00 ! #SUP 0.57 or ((resid 11 and name HA )) ((resid 17 and name HN )) ! #SUP 4.17 assign ((resid 17 and name HN )) ((resid 17 and name HE1 )) 5.48 3.68 0.00 ! #SUP 8.29 or ((resid 17 and name HN )) ((resid 17 and name HE2 )) ! #SUP 6.68 assign ((resid 17 and name HN )) ((resid 28 and name HG1 )) 5.34 3.54 0.00 ! #SUP 5.28 or ((resid 17 and name HN )) ((resid 28 and name HG2 )) ! #SUP 5.01 assign ((resid 17 and name HN )) ((resid 28 and name HE# )) 4.73 2.93 0.00 ! #SUP 3.08 or ((resid 12 and name HB2 )) ((resid 17 and name HN )) ! #SUP 4.44 or ((resid 17 and name HN )) ((resid 28 and name HB2 )) ! #SUP 3.30 assign ((resid 17 and name HN )) ((resid 29 and name HB1 )) 5.50 3.70 0.00 ! #SUP 4.14 or ((resid 17 and name HN )) ((resid 29 and name HB2 )) ! #SUP 5.37 assign ((resid 17 and name HN )) ((resid 17 and name HG1 )) 3.76 1.96 0.00 ! #SUP 8.97 or ((resid 17 and name HN )) ((resid 17 and name HB2 )) ! #SUP 8.02 assign ((resid 12 and name HD1* )) ((resid 17 and name HN )) 5.50 3.70 0.00 ! #SUP 5.38 or ((resid 17 and name HN )) ((resid 18 and name HG2* )) ! #SUP 3.64 assign ((resid 70 and name HN )) ((resid 71 and name HN )) 4.10 2.30 0.00 ! #SUP 2.74 or ((resid 69 and name HN )) ((resid 70 and name HN )) ! #SUP 1.60 assign ((resid 5 and name HN )) ((resid 6 and name HB )) 4.00 2.20 0.00 ! #SUP 6.12 or ((resid 3 and name HB1 )) ((resid 5 and name HN )) ! #SUP 3.35 assign ((resid 5 and name HN )) ((resid 6 and name HG2* )) 5.04 3.24 0.00 ! #SUP 6.24 or ((resid 1 and name HG* )) ((resid 5 and name HN )) ! #SUP 2.95 assign ((resid 32 and name HN )) ((resid 32 and name HB2 )) 3.51 1.71 0.00 ! #SUP 7.73 or ((resid 30 and name HB2 )) ((resid 32 and name HN )) ! #SUP 7.32 assign ((resid 31 and name HD2 )) ((resid 32 and name HN )) 5.08 3.28 0.00 ! #SUP 9.43 or ((resid 31 and name HD1 )) ((resid 32 and name HN )) ! #SUP 9.47 or ((resid 32 and name HN )) ((resid 34 and name HG1 )) ! #SUP 4.04 assign ((resid 64 and name HN )) ((resid 66 and name HN )) 4.91 3.11 0.00 ! #SUP 3.81 or ((resid 63 and name HN )) ((resid 66 and name HN )) ! #SUP 2.12 assign ((resid 65 and name HA )) ((resid 66 and name HN )) 3.45 1.65 0.00 ! #SUP 4.32 or ((resid 64 and name HA )) ((resid 66 and name HN )) ! #SUP 5.24 assign ((resid 64 and name HG* )) ((resid 66 and name HN )) 5.21 3.41 0.00 ! #SUP 3.17 or ((resid 63 and name HB1 )) ((resid 66 and name HN )) ! #SUP 2.23 assign ((resid 52 and name HG11 )) ((resid 53 and name HN )) 5.50 3.70 0.00 ! #SUP 6.07 or ((resid 43 and name HG1* )) ((resid 53 and name HN )) ! #SUP 1.08 assign ((resid 52 and name HG2* )) ((resid 53 and name HN )) 4.35 2.55 0.00 ! #SUP 6.07 or ((resid 52 and name HG2* )) ((resid 53 and name HN )) ! #SUP 6.07 or ((resid 53 and name HN )) ((resid 59 and name HG2* )) ! #SUP 4.06 assign ((resid 4 and name HN )) ((resid 5 and name HB1 )) 4.53 2.73 0.00 ! #SUP 5.20 or ((resid 3 and name HG2 )) ((resid 4 and name HN )) ! #SUP 6.57 assign ((resid 3 and name HB1 )) ((resid 4 and name HN )) 3.93 2.13 0.00 ! #SUP 5.91 or ((resid 4 and name HN )) ((resid 6 and name HB )) ! #SUP 5.60 assign ((resid 1 and name HG* )) ((resid 4 and name HN )) 5.31 3.51 0.00 ! #SUP 3.52 or ((resid 4 and name HN )) ((resid 6 and name HG2* )) ! #SUP 5.84 assign ((resid 31 and name HN )) ((resid 31 and name HD2 )) 4.42 2.62 0.00 ! #SUP 9.21 or ((resid 31 and name HN )) ((resid 31 and name HD1 )) ! #SUP 9.16 assign ((resid 12 and name HB1 )) ((resid 16 and name HN )) 4.37 2.57 0.00 ! #SUP 6.83 or ((resid 16 and name HN )) ((resid 31 and name HB2 )) ! #SUP 2.96 assign ((resid 16 and name HN )) ((resid 31 and name HB1 )) 5.26 3.46 0.00 ! #SUP 1.50 or ((resid 16 and name HN )) ((resid 17 and name HG1 )) ! #SUP 4.33 or ((resid 16 and name HN )) ((resid 17 and name HB2 )) ! #SUP 4.59 assign ((resid 26 and name HN )) ((resid 26 and name HG1 )) 3.76 1.96 0.00 ! #SUP 5.58 or ((resid 26 and name HN )) ((resid 26 and name HG2 )) ! #SUP 4.03 assign ((resid 25 and name HB1 )) ((resid 26 and name HN )) 3.06 1.26 0.00 ! #SUP 4.68 or ((resid 26 and name HN )) ((resid 26 and name HB1 )) ! #SUP 6.01 assign ((resid 20 and name HG1* )) ((resid 26 and name HN )) 5.50 3.70 0.00 ! #SUP 4.55 or ((resid 20 and name HG2* )) ((resid 26 and name HN )) ! #SUP 5.86 assign ((resid 45 and name HA )) ((resid 50 and name HN )) 4.92 3.12 0.00 ! #SUP 2.36 or ((resid 46 and name HA )) ((resid 50 and name HN )) ! #SUP 1.67 assign ((resid 45 and name HN )) ((resid 46 and name HN )) 5.49 3.69 0.00 ! #SUP 4.60 or ((resid 12 and name HN )) ((resid 46 and name HN )) ! #SUP 3.40 assign ((resid 46 and name HN )) ((resid 50 and name HA )) 4.74 2.94 0.00 ! #SUP 2.72 or ((resid 12 and name HA )) ((resid 46 and name HN )) ! #SUP 1.04 assign ((resid 46 and name HN )) ((resid 50 and name HB )) 5.50 3.70 0.00 ! #SUP 2.30 or ((resid 46 and name HN )) ((resid 47 and name HA )) ! #SUP 2.11 assign ((resid 12 and name HD2* )) ((resid 46 and name HN )) 5.18 3.38 0.00 ! #SUP 3.57 or ((resid 46 and name HN )) ((resid 52 and name HG2* )) ! #SUP 2.71 or ((resid 46 and name HN )) ((resid 52 and name HG2* )) ! #SUP 2.71 assign ((resid 58 and name HN )) ((resid 58 and name HG1 )) 4.31 2.51 0.00 ! #SUP 6.06 or ((resid 54 and name HE# )) ((resid 58 and name HN )) ! #SUP 3.76 assign ((resid 12 and name HB2 )) ((resid 14 and name HN )) 3.50 1.70 0.00 ! #SUP 7.45 or ((resid 13 and name HB2 )) ((resid 14 and name HN )) ! #SUP 8.03 assign ((resid 51 and name HB2 )) ((resid 52 and name HN )) 4.33 2.53 0.00 ! #SUP 6.95 or ((resid 44 and name HB2 )) ((resid 52 and name HN )) ! #SUP 5.76 or ((resid 43 and name HB )) ((resid 52 and name HN )) ! #SUP 3.51 assign ((resid 51 and name HB1 )) ((resid 52 and name HN )) 4.26 2.46 0.00 ! #SUP 6.17 or ((resid 44 and name HB1 )) ((resid 52 and name HN )) ! #SUP 7.79 assign ((resid 52 and name HN )) ((resid 52 and name HG12 )) 4.17 2.37 0.00 ! #SUP 7.52 or ((resid 46 and name HG2* )) ((resid 52 and name HN )) ! #SUP 3.97 assign ((resid 52 and name HN )) ((resid 52 and name HG11 )) 4.37 2.57 0.00 ! #SUP 6.96 or ((resid 43 and name HG1* )) ((resid 52 and name HN )) ! #SUP 4.69 assign ((resid 52 and name HN )) ((resid 52 and name HG2* )) 4.78 2.98 0.00 ! #SUP 8.39 or ((resid 52 and name HN )) ((resid 52 and name HG2* )) ! #SUP 8.39 assign ((resid 48 and name HN )) ((resid 49 and name HA1 )) 4.74 2.94 0.00 ! #SUP 3.82 or ((resid 13 and name HA )) ((resid 48 and name HN )) ! #SUP 3.00 assign ((resid 48 and name HN )) ((resid 48 and name HB1 )) 3.88 2.08 0.00 ! #SUP 5.60 or ((resid 11 and name HB2 )) ((resid 48 and name HN )) ! #SUP 3.04 assign ((resid 55 and name HA )) ((resid 57 and name HN )) 4.69 2.89 0.00 ! #SUP 4.55 or ((resid 57 and name HN )) ((resid 58 and name HA )) ! #SUP 4.98 assign ((resid 54 and name HE# )) ((resid 57 and name HN )) 5.09 3.29 0.00 ! #SUP 4.59 or ((resid 57 and name HN )) ((resid 58 and name HG1 )) ! #SUP 4.95 assign ((resid 41 and name HN )) ((resid 42 and name HA )) 5.34 3.54 0.00 ! #SUP 3.65 or ((resid 41 and name HN )) ((resid 55 and name HA )) ! #SUP 2.13 assign ((resid 30 and name HD2* )) ((resid 34 and name HD* )) 5.50 3.70 0.00 ! #SUP 3.23 or ((resid 30 and name HD2* )) ((resid 31 and name HB2 )) ! #SUP 6.50 assign ((resid 19 and name HB2 )) ((resid 27 and name HN )) 4.13 2.33 0.00 ! #SUP 2.62 or ((resid 26 and name HG1 )) ((resid 27 and name HN )) ! #SUP 4.37 assign ((resid 26 and name HB1 )) ((resid 27 and name HN )) 3.54 1.74 0.00 ! #SUP 5.25 or ((resid 26 and name HB2 )) ((resid 27 and name HN )) ! #SUP 3.83 assign ((resid 20 and name HG2* )) ((resid 27 and name HN )) 5.29 3.49 0.00 ! #SUP 7.08 or ((resid 20 and name HG1* )) ((resid 27 and name HN )) ! #SUP 5.41 assign ((resid 7 and name HG2* )) ((resid 24 and name HN )) 5.45 3.65 0.00 ! #SUP 2.00 or ((resid 31 and name HG2 )) ((resid 33 and name HN )) ! #SUP 4.02 assign ((resid 32 and name HB2 )) ((resid 33 and name HN )) 4.37 2.57 0.00 ! #SUP 6.89 or ((resid 30 and name HB2 )) ((resid 33 and name HN )) ! #SUP 5.97 assign ((resid 22 and name HB* )) ((resid 24 and name HN )) 4.36 2.56 0.00 ! #SUP 4.18 or ((resid 29 and name HB1 )) ((resid 33 and name HN )) ! #SUP 3.98 or ((resid 33 and name HN )) ((resid 34 and name HB2 )) ! #SUP 3.78 assign ((resid 33 and name HN )) ((resid 34 and name HG1 )) 4.99 3.19 0.00 ! #SUP 5.06 or ((resid 22 and name HG* )) ((resid 24 and name HN )) ! #SUP 4.31 assign ((resid 13 and name HA )) ((resid 15 and name HN )) 4.38 2.58 0.00 ! #SUP 2.91 or ((resid 15 and name HN )) ((resid 16 and name HB1 )) ! #SUP 2.05 assign ((resid 47 and name HA )) ((resid 49 and name HN )) 4.54 2.74 0.00 ! #SUP 3.80 or ((resid 49 and name HN )) ((resid 50 and name HB )) ! #SUP 3.62 assign ((resid 47 and name HN )) ((resid 49 and name HN )) 5.05 3.25 0.00 ! #SUP 6.74 or ((resid 46 and name HN )) ((resid 49 and name HN )) ! #SUP 5.94
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