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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655364 |
7bfx   |
34588 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: restraints_xplor.txt assi (resid 7 and name H2'' )(resid 8 and name H6 ) 4.5 2.7 2.0 ! 7.11E+01 5.01E+00 H2p dC7 H6 dC8 assi (resid 9 and name H5' )(resid 8 and name H2'' ) 4.0 2.2 1.0 ! 2.28E+02 4.15E+00 H5' dC9 H2p dC8 assi (resid 8 and name H2'' )(resid 9 and name H6 ) 4.5 2.7 2.0 ! 9.51E+01 4.78E+00 H2p dC8 H6 dC9 !INTRARESIDUE !H5-H6 assi (resid 3 and name H5 )(resid 3 and name H6 ) 2.5 0.7 0.7 ! 7.57E+03 2.36E+00 H5 dC3 H6 dC3 assi (resid 7 and name H5 )(resid 7 and name H6 ) 2.5 0.7 0.7 ! 6.32E+03 2.43E+00 H5 dC7 H6 dC7 assi (resid 8 and name H5 )(resid 8 and name H6 ) 2.5 0.7 0.7 ! 5.68E+03 2.47E+00 H5 dC8 H6 dC8 assi (resid 9 and name H5 )(resid 9 and name H6 ) 2.5 0.7 0.7 ! 1.97E+03 2.92E+00 H5 dC9 H6 dC9 assi (resid 10 and name H6 )(resid 10 and name H5 ) 2.5 0.7 0.7 ! 1.28E+04 2.17E+00 H6 dC10 H5 dC10 assi (resid 11 and name H6 )(resid 11 and name H5 ) 2.5 0.7 0.7 ! 4.29E+03 2.58E+00 H6 dC11 H5 dC11 assi (resid 12 and name H5 )(resid 12 and name H6 ) 2.5 0.7 0.7 ! 2.36E+03 2.84E+00 H5 dC12 H6 dC12 assi (resid 19 and name H5 )(resid 19 and name H6 ) 2.5 0.7 0.7 ! 7.59E+03 2.36E+00 H5 dC19 H6 dC19 !H1'-H6/8 (3.4/3.7) assi (resid 1 and name H1' )(resid 1 and name H8 ) 3.2 1.2 0.8 ! 3.30E+02 3.91E+00 H1p dA1 H8 dA1 assi (resid 2 and name H1' )(resid 2 and name H8 ) 3.2 1.2 0.8 ! 3.78E+02 3.82E+00 H1p dG2 H8 dG2 assi (resid 3 and name H1' )(resid 3 and name H6 ) 4.0 2.2 1.0 ! 2.23E+02 4.16E+00 H1p dC3 H6 dC3 assi (resid 4 and name H1' )(resid 4 and name H8 ) 3.2 1.2 0.8 ! 3.58E+02 3.85E+00 H1p dA4 H8 dA4 assi (resid 5 and name H1' )(resid 5 and name H8 ) 3.2 1.2 0.8 ! 4.10E+02 3.77E+00 H1p dA5 H8 dA5 assi (resid 6 and name H1' )(resid 6 and name H6 ) 3.2 1.2 0.8 ! 4.42E+02 3.72E+00 H1p dT6 H6 dT6 assi (resid 7 and name H1' )(resid 7 and name H6 ) 4.0 2.2 1.0 ! 2.56E+02 4.07E+00 H1p dC7 H6 dC7 assi (resid 9 and name H1' )(resid 9 and name H6 ) 4.0 2.2 1.0 ! 2.02E+02 4.23E+00 H1p dC9 H6 dC9 assi (resid 11 and name H1' )(resid 11 and name H6 ) 4.5 2.7 2.0 ! 9.17E+01 4.81E+00 H1p dC11 H6 dC11 assi (resid 12 and name H1' )(resid 12 and name H6 ) 4.5 2.7 2.0 ! 1.27E+02 4.56E+00 H1p dC12 H6 dC12 assi (resid 13 and name H1' )(resid 13 and name H8 ) 3.2 1.2 0.8 ! 3.87E+02 3.80E+00 H1p dG13 H8 dG13 assi (resid 14 and name H8 )(resid 14 and name H1' ) 4.5 2.7 2.0 ! 1.18E+02 4.62E+00 H8 dG14 H1p dG14 assi (resid 15 and name H1' )(resid 15 and name H8 ) 3.2 1.2 0.8 ! 3.94E+02 3.79E+00 H1p dA15 H8 dA15 assi (resid 16 and name H1' )(resid 16 and name H6 ) 3.2 1.2 0.8 ! 6.10E+02 3.53E+00 H1p dT16 H6 dT16 assi (resid 17 and name H1' )(resid 17 and name H6 ) 3.2 1.2 0.8 ! 3.34E+02 3.90E+00 H1p dT17 H6 dT17 assi (resid 18 and name H1' )(resid 18 and name H8 ) 3.2 1.2 0.8 ! 5.99E+02 3.54E+00 H1p dG18 H8 dG18 assi (resid 19 and name H6 )(resid 19 and name H1' ) 4.0 2.2 1.0 ! 1.75E+02 4.33E+00 H6 dC19 H1p dC19 assi (resid 20 and name H1' )(resid 20 and name H6 ) 3.2 1.2 0.8 ! 3.57E+02 3.85E+00 H1p dT20 H6 dT20 !H1'-H2'' (2.3) assi (resid 1 and name H1' )(resid 1 and name H2'' ) 2.5 0.7 0.7 ! 1.60E+03 3.02E+00 H1p dA1 H2p dA1 assi (resid 2 and name H1' )(resid 2 and name H2'' ) 3.2 1.2 0.8 ! 4.92E+02 3.66E+00 H1p dG2 H2p dG2 assi (resid 4 and name H1' )(resid 4 and name H2'' ) 3.2 1.2 0.8 ! 8.41E+02 3.35E+00 H1p dA4 H2p dA4 assi (resid 5 and name H1' )(resid 5 and name H2'' ) 3.2 1.2 0.8 ! 9.12E+02 3.31E+00 H1p dA5 H2p dA5 assi (resid 6 and name H1' )(resid 6 and name H2'' ) 3.2 1.2 0.8 ! 1.12E+03 3.21E+00 H1p dT6 H2p dT6 assi (resid 7 and name H1' )(resid 7 and name H2'' ) 2.5 0.7 0.7 ! 1.18E+03 3.18E+00 H1p dC7 H2p dC7 assi (resid 8 and name H1' )(resid 8 and name H2'' ) 2.5 0.7 0.7 ! 1.86E+03 2.95E+00 H1p dC8 H2p dC8 assi (resid 9 and name H1' )(resid 9 and name H2'' ) 3.2 1.2 0.8 ! 1.03E+03 3.25E+00 H1p dC9 H2p dC9 assi (resid 10 and name H1' )(resid 10 and name H2'' ) 3.2 1.2 0.8 ! 9.48E+02 3.29E+00 H1p dC10 H2p dC10 assi (resid 11 and name H1' )(resid 11 and name H2'' ) 3.2 1.2 0.8 ! 8.76E+02 3.33E+00 H1p dC11 H2p dC11 assi (resid 12 and name H1' )(resid 12 and name H2'' ) 3.2 1.2 0.8 ! 8.79E+02 3.33E+00 H1p dC12 H2p dC12 assi (resid 13 and name H1' )(resid 13 and name H2'' ) 2.5 0.7 0.7 ! 1.67E+03 3.00E+00 H1p dG13 H2p dG13 assi (resid 14 and name H1' )(resid 14 and name H2'' ) 3.2 1.2 0.8 ! 5.73E+02 3.57E+00 H1p dG14 H2p dG14 assi (resid 15 and name H1' )(resid 15 and name H2'' ) 3.2 1.2 0.8 ! 8.84E+02 3.33E+00 H1p dA15 H2p dA15 assi (resid 16 and name H1' )(resid 16 and name H2'' ) 3.2 1.2 0.8 ! 9.74E+02 3.28E+00 H1p dT16 H2p dT16 assi (resid 17 and name H1' )(resid 17 and name H2'' ) 3.2 1.2 0.8 ! 9.85E+02 3.27E+00 H1p dT17 H2p dT17 assi (resid 19 and name H1' )(resid 19 and name H2'' ) 2.5 0.7 0.7 ! 1.66E+03 3.01E+00 H1p dC19 H2p dC19 !H1'-H2' (2.7) assi (resid 1 and name H2' )(resid 1 and name H1' ) 3.2 1.2 0.8 ! 9.42E+02 3.29E+00 H2pp dA1 H1p dA1 assi (resid 2 and name H2' )(resid 2 and name H1' ) 3.2 1.2 0.8 ! 5.50E+02 3.59E+00 H2pp dG2 H1p dG2 assi (resid 4 and name H2' )(resid 4 and name H1' ) 3.2 1.2 0.8 ! 5.69E+02 3.57E+00 H2pp dA4 H1p dA4 assi (resid 5 and name H1' )(resid 5 and name H2' ) 3.2 1.2 0.8 ! 5.66E+02 3.58E+00 H1p dA5 H2pp dA5 assi (resid 6 and name H1' )(resid 6 and name H2' ) 3.2 1.2 0.8 ! 8.91E+02 3.32E+00 H1p dT6 H2pp dT6 assi (resid 9 and name H1' )(resid 9 and name H2' ) 3.2 1.2 0.8 ! 4.99E+02 3.65E+00 H1p dC9 H2pp dC9 assi (resid 10 and name H1' )(resid 10 and name H2' ) 3.2 1.2 0.8 ! 3.83E+02 3.81E+00 H1p dC10 H2pp dC10 assi (resid 11 and name H2' )(resid 11 and name H1' ) 4.0 2.2 1.0 ! 1.94E+02 4.26E+00 H2pp dC11 H1p dC11 assi (resid 12 and name H1' )(resid 12 and name H2' ) 3.2 1.2 0.8 ! 5.39E+02 3.61E+00 H1p dC12 H2pp dC12 assi (resid 14 and name H1' )(resid 14 and name H2' ) 3.2 1.2 0.8 ! 9.58E+02 3.29E+00 H1p dG14 H2pp dG14 assi (resid 15 and name H1' )(resid 15 and name H2' ) 3.2 1.2 0.8 ! 6.34E+02 3.51E+00 H1p dA15 H2pp dA15 assi (resid 16 and name H1' )(resid 16 and name H2' ) 3.2 1.2 0.8 ! 1.02E+03 3.25E+00 H1p dT16 H2pp dT16 assi (resid 18 and name H1' )(resid 18 and name H2' ) 3.2 1.2 0.8 ! 4.52E+02 3.71E+00 H1p dG18 H2pp dG18 assi (resid 19 and name H1' )(resid 19 and name H2' ) 3.2 1.2 0.8 ! 6.30E+02 3.52E+00 H1p dC19 H2pp dC19 !1'-3' (4.0) assi (resid 1 and name H1' )(resid 1 and name H3' ) 4.0 2.2 1.0 ! 2.80E+02 4.01E+00 H1p dA1 H3p dA1 assi (resid 2 and name H3' )(resid 2 and name H1' ) 3.2 1.2 0.8 ! 4.33E+02 3.74E+00 H3p dG2 H1p dG2 assi (resid 3 and name H3' )(resid 3 and name H1' ) 3.2 1.2 0.8 ! 4.14E+02 3.76E+00 H3p dC3 H1p dC3 assi (resid 4 and name H3' )(resid 4 and name H1' ) 3.2 1.2 0.8 ! 4.28E+02 3.74E+00 H3p dA4 H1p dA4 assi (resid 5 and name H3' )(resid 5 and name H1' ) 4.0 2.2 1.0 ! 3.84E+02 3.81E+00 H3p dA5 H1p dA5 av assi (resid 7 and name H3' )(resid 7 and name H1' ) 4.0 2.2 1.0 ! 3.25E+02 3.91E+00 H3p dC7 H1p dC7 av assi (resid 8 and name H3' )(resid 8 and name H1' ) 4.0 2.2 1.0 ! 3.44E+02 3.88E+00 H3p dC8 H1p dC8 av assi (resid 9 and name H3' )(resid 9 and name H1' ) 4.0 2.2 1.0 ! 2.72E+02 4.03E+00 H3p dC9 H1p dC9 assi (resid 10 and name H3' )(resid 10 and name H1' ) 4.0 2.2 1.0 ! 2.58E+02 4.06E+00 H3p dC10 H1p dC10 assi (resid 11 and name H3' )(resid 11 and name H1' ) 4.0 2.2 1.0 ! 2.52E+02 4.08E+00 H3p dC11 H1p dC11 assi (resid 12 and name H3' )(resid 12 and name H1' ) 4.0 2.2 1.0 ! 2.08E+02 4.21E+00 H3p dC12 H1p dC12 assi (resid 13 and name H1' )(resid 13 and name H3' ) 4.0 2.2 1.0 ! 1.89E+02 4.27E+00 H1p dG13 H3p dG13 assi (resid 16 and name H1' )(resid 16 and name H3' ) 4.0 2.2 1.0 ! 2.07E+02 4.21E+00 H1p dT16 H3p dT16 assi (resid 17 and name H3' )(resid 17 and name H1' ) 4.5 2.7 2.0 ! 1.34E+02 4.52E+00 H3p dT17 H1p dT17 assi (resid 18 and name H3' )(resid 18 and name H1' ) 3.2 1.2 0.8 ! 4.22E+02 3.75E+00 H3p dG18 H1p dG18 assi (resid 19 and name H1' )(resid 19 and name H3' ) 4.0 2.2 1.0 ! 1.54E+02 4.42E+00 H1p dC19 H3p dC19 assi (resid 20 and name H1' )(resid 20 and name H3' ) 3.2 1.2 0.8 ! 2.96E+02 3.97E+00 H1p dT20 H3p dT20 !1'-4' (3.5) assi (resid 1 and name H1' )(resid 1 and name H4' ) 3.2 1.2 0.8 ! 3.71E+02 3.83E+00 H1p dA1 H4p dA1 assi (resid 2 and name H1' )(resid 2 and name H4' ) 3.2 1.2 0.8 ! 4.24E+02 3.75E+00 H1p dG2 H4p dG2 assi (resid 3 and name H1' )(resid 3 and name H4' ) 3.2 1.2 0.8 ! 6.82E+02 3.47E+00 H1p dC3 H4p dC3 assi (resid 4 and name H1' )(resid 4 and name H4' ) 3.2 1.2 0.8 ! 2.93E+02 3.98E+00 H1p dA4 H4p dA4 assi (resid 5 and name H1' )(resid 5 and name H4' ) 3.2 1.2 0.8 ! 3.34E+02 3.90E+00 H1p dA5 H4p dA5 assi (resid 7 and name H1' )(resid 7 and name H4' ) 3.2 1.2 0.8 ! 4.86E+02 3.67E+00 H1p dC7 H4p dC7 assi (resid 8 and name H1' )(resid 8 and name H4' ) 3.2 1.2 0.8 ! 3.61E+02 3.85E+00 H1p dC8 H4p dC8 assi (resid 9 and name H1' )(resid 9 and name H4' ) 3.2 1.2 0.8 ! 2.95E+02 3.98E+00 H1p dC9 H4p dC9 assi (resid 10 and name H1' )(resid 10 and name H4' ) 3.2 1.2 0.8 ! 4.53E+02 3.71E+00 H1p dC10 H4p dC10 assi (resid 11 and name H1' )(resid 11 and name H4' ) 3.2 1.2 0.8 ! 3.11E+02 3.94E+00 H1p dC11 H4p dC11 assi (resid 12 and name H4' )(resid 12 and name H1' ) 3.2 1.2 0.8 ! 4.32E+02 3.74E+00 H4p dC12 H1p dC12 assi (resid 13 and name H1' )(resid 13 and name H4' ) 3.2 1.2 0.8 ! 3.55E+02 3.86E+00 H1p dG13 H4p dG13 assi (resid 14 and name H1' )(resid 14 and name H4' ) 3.2 1.2 0.8 ! 3.93E+02 3.79E+00 H1p dG14 H4p dG14 assi (resid 15 and name H4' )(resid 15 and name H1' ) 3.2 1.2 0.8 ! 4.00E+02 3.78E+00 H4p dA15 H1p dA15 assi (resid 16 and name H1' )(resid 16 and name H4' ) 3.2 1.2 0.8 ! 4.65E+02 3.69E+00 H1p dT16 H4p dT16 assi (resid 17 and name H1' )(resid 17 and name H4' ) 3.2 1.2 0.8 ! 5.91E+02 3.55E+00 H1p dT17 H4p dT17 assi (resid 18 and name H1' )(resid 18 and name H4' ) 3.2 1.2 0.8 ! 2.91E+02 3.99E+00 H1p dG18 H4p dG18 assi (resid 19 and name H1' )(resid 19 and name H4' ) 3.2 1.2 0.8 ! 4.77E+02 3.68E+00 H1p dC19 H4p dC19 assi (resid 20 and name H1' )(resid 20 and name H4' ) 3.2 1.2 0.8 ! 5.33E+02 3.61E+00 H1p dT20 H4p dT20 !H2''-H6/H8 (4.4/4.6) assi (resid 1 and name H2'' )(resid 1 and name H8 ) 4.0 2.2 1.0 ! 5.66E+02 3.58E+00 H2p dA1 H8 dA1 increased: overlap assi (resid 2 and name H2'' )(resid 2 and name H8 ) 4.5 2.7 2.0 ! 1.14E+02 4.64E+00 H2p dG2 H8 dG2 assi (resid 3 and name H2'' )(resid 3 and name H6 ) 4.5 2.7 2.0 ! 7.24E+01 5.00E+00 H2p dC3 H6 dC3 assi (resid 4 and name H2'' )(resid 4 and name H8 ) 4.5 2.7 2.0 ! 6.67E+01 5.07E+00 H2p dA4 H8 dA4 assi (resid 5 and name H2'' )(resid 5 and name H8 ) 4.5 2.7 2.0 ! 1.16E+02 4.63E+00 H2p dA5 H8 dA5 assi (resid 6 and name H2'' )(resid 6 and name H6 ) 4.5 2.7 2.0 ! 1.38E+02 4.50E+00 H2p dT6 H6 dT6 assi (resid 7 and name H2'' )(resid 7 and name H6 ) 4.5 2.7 2.0 ! 1.12E+02 4.65E+00 H2p dC7 H6 dC7 assi (resid 8 and name H2'' )(resid 8 and name H6 ) 4.5 2.7 2.0 ! 8.40E+01 4.88E+00 H2p dC8 H6 dC8 assi (resid 9 and name H2'' )(resid 9 and name H6 ) 4.5 2.7 2.0 ! 6.05E+01 5.15E+00 H2p dC9 H6 dC9 assi (resid 10 and name H2'' )(resid 10 and name H6 ) 4.5 2.7 2.0 ! 4.46E+01 5.41E+00 H2p dC10 H6 dC10 assi (resid 11 and name H2'' )(resid 11 and name H6 ) 4.5 2.7 2.0 ! 8.10E+01 4.91E+00 H2p dC11 H6 dC11 assi (resid 12 and name H2'' )(resid 12 and name H6 ) 4.5 2.7 2.0 ! 9.26E+01 4.80E+00 H2p dC12 H6 dC12 assi (resid 13 and name H8 )(resid 13 and name H2'' ) 4.5 2.7 2.0 ! 1.01E+02 4.74E+00 H8 dG13 H2p dG13 assi (resid 14 and name H2'' )(resid 14 and name H8 ) 4.5 2.7 2.0 ! 6.94E+01 5.03E+00 H2p dG14 H8 dG14 assi (resid 15 and name H2'' )(resid 15 and name H8 ) 4.5 2.7 2.0 ! 8.56E+01 4.86E+00 H2p dA15 H8 dA15 assi (resid 16 and name H2'' )(resid 16 and name H6 ) 4.5 2.7 2.0 ! 1.37E+02 4.50E+00 H2p dT16 H6 dT16 assi (resid 17 and name H2'' )(resid 17 and name H6 ) 4.0 2.2 1.0 ! 1.59E+02 4.40E+00 H2p dT17 H6 dT17 assi (resid 19 and name H2'' )(resid 19 and name H6 ) 3.2 1.2 0.8 ! 4.78E+02 3.68E+00 H2p dC19 H6 dC19 assi (resid 20 and name H2'' )(resid 20 and name H6 ) 4.5 2.7 2.0 ! 1.01E+02 4.74E+00 H2p dT20 H6 dT20 !H2'-H6/H8 (3.5/3.7) assi (resid 1 and name H2' )(resid 1 and name H8 ) 4.0 2.2 1.0 ! 3.24E+02 3.92E+00 H2pp dA1 H8 dA1 increased: overlap assi (resid 2 and name H2' )(resid 2 and name H8 ) 4.5 2.7 2.0 ! 1.14E+02 4.64E+00 H2pp dG2 H8 dG2 assi (resid 3 and name H6 )(resid 3 and name H2' ) 4.5 2.7 2.0 ! 1.29E+01 6.63E+00 H6 dC3 H2pp dC3 assi (resid 4 and name H2' )(resid 4 and name H8 ) 4.5 2.7 2.0 ! 7.84E+01 4.93E+00 H2pp dA4 H8 dA4 assi (resid 5 and name H2' )(resid 5 and name H8 ) 4.5 2.7 2.0 ! 4.37E+01 5.43E+00 H2pp dA5 H8 dA5 assi (resid 9 and name H2' )(resid 9 and name H6 ) 4.5 2.7 2.0 ! 4.04E+01 5.50E+00 H2pp dC9 H6 dC9 assi (resid 10 and name H2' )(resid 10 and name H6 ) 4.0 2.2 1.0 ! 1.50E+02 4.44E+00 H2pp dC10 H6 dC10 assi (resid 11 and name H2' )(resid 11 and name H6 ) 4.0 2.2 1.0 ! 1.50E+02 4.44E+00 H2pp dC11 H6 dC11 assi (resid 12 and name H2' )(resid 12 and name H6 ) 4.5 2.7 2.0 ! 1.18E+02 4.62E+00 H2pp dC12 H6 dC12 assi (resid 14 and name H2' )(resid 14 and name H8 ) 4.5 2.7 2.0 ! 8.23E+01 4.89E+00 H2pp dG14 H8 dG14 assi (resid 15 and name H2' )(resid 15 and name H8 ) 3.2 1.2 0.8 ! 3.13E+02 3.94E+00 H2pp dA15 H8 dA15 assi (resid 15 and name H2' )(resid 16 and name H6 ) 3.2 1.2 0.8 ! 6.04E+02 3.54E+00 H2pp dA15 H6 dT16 assi (resid 18 and name H2' )(resid 18 and name H8 ) 4.5 2.7 2.0 ! 6.13E+01 5.14E+00 H2pp dG18 H8 dG18 assi (resid 19 and name H2' )(resid 19 and name H6 ) 4.5 2.7 2.0 ! 2.28E+01 6.04E+00 H2pp dC19 H6 dC19 assi (resid 20 and name H2' )(resid 20 and name H6 ) 4.5 2.7 2.0 ! 5.77E+01 5.19E+00 H2pp dT20 H6 dT20 !H2'-H3' (2.8) water suppression! assi (resid 1 and name H2' )(resid 1 and name H3' ) 3.2 1.2 0.8 ! 8.42E+02 3.35E+00 H2pp dA1 H3p dA1 assi (resid 2 and name H3' )(resid 2 and name H2' ) 3.2 1.2 0.8 ! 3.94E+02 3.79E+00 H3p dG2 H2pp dG2 assi (resid 3 and name H3' )(resid 3 and name H2' ) 3.2 1.2 0.8 ! 1.02E+03 3.25E+00 H3p dC3 H2pp dC3 assi (resid 5 and name H3' )(resid 5 and name H2' ) 3.2 1.2 0.8 ! 6.67E+02 3.48E+00 H3p dA5 H2pp dA5 assi (resid 6 and name H3' )(resid 6 and name H2' ) 3.2 1.2 0.8 ! 1.04E+03 3.24E+00 H3p dT6 H2pp dT6 assi (resid 9 and name H3' )(resid 9 and name H2' ) 3.2 1.2 0.8 ! 6.04E+02 3.54E+00 H3p dC9 H2pp dC9 assi (resid 10 and name H3' )(resid 10 and name H2' ) 3.2 1.2 0.8 ! 4.23E+02 3.75E+00 H3p dC10 H2pp dC10 assi (resid 11 and name H3' )(resid 11 and name H2' ) 3.2 1.2 0.8 ! 8.38E+02 3.36E+00 H3p dC11 H2pp dC11 assi (resid 12 and name H3' )(resid 12 and name H2' ) 3.2 1.2 0.8 ! 5.58E+02 3.58E+00 H3p dC12 H2pp dC12 assi (resid 15 and name H3' )(resid 15 and name H2' ) 3.2 1.2 0.8 ! 3.92E+02 3.80E+00 H3p dA15 H2pp dA15 assi (resid 16 and name H2' )(resid 16 and name H3' ) 3.2 1.2 0.8 ! 6.60E+02 3.49E+00 H2pp dT16 H3p dT16 assi (resid 18 and name H3' )(resid 18 and name H2' ) 3.2 1.2 0.8 ! 4.62E+02 3.70E+00 H3p dG18 H2pp dG18 assi (resid 19 and name H3' )(resid 19 and name H2' ) 3.2 1.2 0.8 ! 6.02E+02 3.54E+00 H3p dC19 H2pp dC19 assi (resid 20 and name H3' )(resid 20 and name H2' ) 3.2 1.2 0.8 ! 1.08E+03 3.22E+00 H3p dT20 H2pp dT20 !H2''-H3' (2.3) water suppression! assi (resid 1 and name H3' )(resid 1 and name H2'' ) 2.5 0.7 0.7 ! 2.36E+03 2.84E+00 H3p dA1 H2p dA1 assi (resid 2 and name H3' )(resid 2 and name H2'' ) 2.5 0.7 0.7 ! 1.28E+03 3.14E+00 H3p dG2 H2p dG2 assi (resid 3 and name H3' )(resid 3 and name H2'' ) 3.2 1.2 0.8 ! 7.23E+02 3.44E+00 H3p dC3 H2p dC3 assi (resid 5 and name H3' )(resid 5 and name H2'' ) 2.5 0.7 0.7 ! 1.21E+03 3.16E+00 H3p dA5 H2p dA5 assi (resid 6 and name H3' )(resid 6 and name H2'' ) 2.5 0.7 0.7 ! 1.22E+03 3.16E+00 H3p dT6 H2p dT6 assi (resid 7 and name H3' )(resid 7 and name H2'' ) 2.5 0.7 0.7 ! 1.24E+03 3.15E+00 H3p dC7 H2p dC7 assi (resid 8 and name H3' )(resid 8 and name H2'' ) 2.5 0.7 0.7 ! 1.52E+03 3.05E+00 H3p dC8 H2p dC8 assi (resid 9 and name H3' )(resid 9 and name H2'' ) 2.5 0.7 0.7 ! 1.29E+03 3.13E+00 H3p dC9 H2p dC9 assi (resid 10 and name H2'' )(resid 10 and name H3' ) 3.2 1.2 0.8 ! 3.62E+02 3.85E+00 H2p dC10 H3p dC10 assi (resid 11 and name H3' )(resid 11 and name H2'' ) 3.2 1.2 0.8 ! 5.39E+02 3.61E+00 H3p dC11 H2p dC11 assi (resid 12 and name H3' )(resid 12 and name H2'' ) 3.2 1.2 0.8 ! 8.99E+02 3.32E+00 H3p dC12 H2p dC12 assi (resid 13 and name H3' )(resid 13 and name H2'' ) 2.5 0.7 0.7 ! 1.61E+03 3.02E+00 H3p dG13 H2p dG13 assi (resid 15 and name H3' )(resid 15 and name H2'' ) 3.2 1.2 0.8 ! 6.86E+02 3.47E+00 H3p dA15 H2p dA15 assi (resid 16 and name H3' )(resid 16 and name H2'' ) 3.2 1.2 0.8 ! 8.84E+02 3.33E+00 H3p dT16 H2p dT16 assi (resid 17 and name H3' )(resid 17 and name H2'' ) 3.2 1.2 0.8 ! 9.96E+02 3.26E+00 H3p dT17 H2p dT17 assi (resid 19 and name H3' )(resid 19 and name H2'' ) 2.5 0.7 0.7 ! 1.22E+03 3.16E+00 H3p dC19 H2p dC19 assi (resid 20 and name H3' )(resid 20 and name H2'' ) 2.5 0.7 0.7 ! 1.23E+03 3.16E+00 H3p dT20 H2p dT20 !H2'-H4' (4.0) assi (resid 1 and name H2' )(resid 1 and name H4' ) 4.0 2.2 1.0 ! 1.93E+02 4.26E+00 H2pp dA1 H4p dA1 assi (resid 2 and name H2' )(resid 2 and name H4' ) 4.0 2.2 1.0 ! 1.88E+02 4.28E+00 H2pp dG2 H4p dG2 assi (resid 3 and name H4' )(resid 3 and name H2' ) 3.2 1.2 0.8 ! 6.15E+02 3.53E+00 H4p dC3 H2pp dC3 assi (resid 4 and name H4' )(resid 4 and name H2' ) 3.2 1.2 0.8 ! 7.62E+02 3.41E+00 H4p dA4 H2pp dA4 assi (resid 5 and name H2' )(resid 5 and name H4' ) 4.0 2.2 1.0 ! 2.81E+02 4.01E+00 H2pp dA5 H4p dA5 assi (resid 6 and name H4' )(resid 6 and name H2' ) 3.2 1.2 0.8 ! 1.01E+03 3.26E+00 H4p dT6 H2pp dT6 assi (resid 9 and name H2' )(resid 9 and name H4' ) 4.0 2.2 1.0 ! 1.76E+02 4.32E+00 H2pp dC9 H4p dC9 assi (resid 10 and name H2' )(resid 10 and name H4' ) 4.5 2.7 2.0 ! 9.67E+01 4.77E+00 H2pp dC10 H4p dC10 assi (resid 11 and name H2' )(resid 11 and name H4' ) 4.5 2.7 2.0 ! 8.52E+01 4.87E+00 H2pp dC11 H4p dC11 assi (resid 14 and name H4' )(resid 14 and name H2' ) 3.2 1.2 0.8 ! 5.44E+02 3.60E+00 H4p dG14 H2pp dG14 assi (resid 15 and name H4' )(resid 15 and name H2' ) 3.2 1.2 0.8 ! 5.61E+02 3.58E+00 H4p dA15 H2pp dA15 assi (resid 18 and name H2' )(resid 18 and name H4' ) 4.0 2.2 1.0 ! 1.59E+02 4.40E+00 H2pp dG18 H4p dG18 assi (resid 19 and name H4' )(resid 19 and name H2' ) 3.2 1.2 0.8 ! 7.66E+02 3.41E+00 H4p dC19 H2pp dC19 assi (resid 20 and name H4' )(resid 20 and name H2' ) 4.0 2.2 1.0 ! 2.47E+02 4.09E+00 H4p dT20 H2pp dT20 !H2''-H4' (3.2) assi (resid 1 and name H2'' )(resid 1 and name H4' ) 3.2 1.2 0.8 ! 1.14E+03 3.19E+00 H2p dA1 H4p dA1 assi (resid 2 and name H2'' )(resid 2 and name H4' ) 3.2 1.2 0.8 ! 5.61E+02 3.58E+00 H2p dG2 H4p dG2 assi (resid 3 and name H4' )(resid 3 and name H2'' ) 3.2 1.2 0.8 ! 4.14E+02 3.76E+00 H4p dC3 H2p dC3 assi (resid 4 and name H4' )(resid 4 and name H2'' ) 3.2 1.2 0.8 ! 5.30E+02 3.62E+00 H4p dA4 H2p dA4 assi (resid 5 and name H4' )(resid 5 and name H2'' ) 3.2 1.2 0.8 ! 8.97E+02 3.32E+00 H4p dA5 H2p dA5 assi (resid 6 and name H4' )(resid 6 and name H2'' ) 3.2 1.2 0.8 ! 6.93E+02 3.46E+00 H4p dT6 H2p dT6 assi (resid 7 and name H4' )(resid 7 and name H2'' ) 3.2 1.2 0.8 ! 1.16E+03 3.19E+00 H4p dC7 H2p dC7 assi (resid 8 and name H2'' )(resid 8 and name H4' ) 3.2 1.2 0.8 ! 9.01E+02 3.32E+00 H2p dC8 H4p dC8 assi (resid 9 and name H4' )(resid 9 and name H2'' ) 3.2 1.2 0.8 ! 6.81E+02 3.47E+00 H4p dC9 H2p dC9 assi (resid 10 and name H4' )(resid 10 and name H2'' ) 3.2 1.2 0.8 ! 5.68E+02 3.57E+00 H4p dC10 H2p dC10 assi (resid 11 and name H2'' )(resid 11 and name H4' ) 3.2 1.2 0.8 ! 4.62E+02 3.70E+00 H2p dC11 H4p dC11 assi (resid 12 and name H2'' )(resid 12 and name H4' ) 3.2 1.2 0.8 ! 2.93E+02 3.98E+00 H2p dC12 H4p dC12 assi (resid 13 and name H4' )(resid 13 and name H2'' ) 3.2 1.2 0.8 ! 8.95E+02 3.32E+00 H4p dG13 H2p dG13 assi (resid 14 and name H4' )(resid 14 and name H2'' ) 3.2 1.2 0.8 ! 4.34E+02 3.73E+00 H4p dG14 H2p dG14 assi (resid 16 and name H4' )(resid 16 and name H2'' ) 3.2 1.2 0.8 ! 7.10E+02 3.45E+00 H4p dT16 H2p dT16 assi (resid 17 and name H2'' )(resid 17 and name H4' ) 3.2 1.2 0.8 ! 7.72E+02 3.40E+00 H2p dT17 H4p dT17 assi (resid 19 and name H4' )(resid 19 and name H2'' ) 2.5 0.7 0.7 ! 1.28E+03 3.14E+00 H4p dC19 H2p dC19 assi (resid 20 and name H4' )(resid 20 and name H2'' ) 3.2 1.2 0.8 ! 1.07E+03 3.23E+00 H4p dT20 H2p dT20 !H5'-6/8 () assi (resid 1 and name H8 )(resid 1 and name H5' ) 2.5 0.7 0.7 ! 2.39E+03 2.84E+00 H8 dA1 H5' dA1 assi (resid 2 and name H8 )(resid 2 and name H5' ) 2.5 0.7 0.7 ! 3.25E+03 2.70E+00 H8 dG2 H5' dG2 assi (resid 3 and name H6 )(resid 3 and name H5' ) 3.2 1.2 0.8 ! 5.08E+02 3.64E+00 H6 dC3 H5' dC3 assi (resid 4 and name H5' )(resid 4 and name H8 ) 3.2 1.2 0.8 ! 9.75E+02 3.28E+00 H5' dA4 H8 dA4 assi (resid 5 and name H5' )(resid 5 and name H8 ) 3.2 1.2 0.8 ! 1.06E+03 3.23E+00 H5' dA5 H8 dA5 assi (resid 6 and name H5' )(resid 6 and name H6 ) 3.2 1.2 0.8 ! 8.42E+02 3.35E+00 H5' dT6 H6 dT6 assi (resid 7 and name H6 )(resid 7 and name H5' ) 3.2 1.2 0.8 ! 6.79E+02 3.47E+00 H6 dC7 H5' dC7 assi (resid 8 and name H6 )(resid 8 and name H5' ) 3.2 1.2 0.8 ! 5.79E+02 3.56E+00 H6 dC8 H5' dC8 assi (resid 9 and name H6 )(resid 9 and name H5' ) 3.2 1.2 0.8 ! 5.62E+02 3.58E+00 H6 dC9 H5' dC9 assi (resid 10 and name H6 )(resid 10 and name H5' ) 3.2 1.2 0.8 ! 2.92E+02 3.98E+00 H6 dC10 H5' dC10 assi (resid 11 and name H6 )(resid 11 and name H5' ) 4.0 2.2 1.0 ! 1.89E+02 4.28E+00 H6 dC11 H5' dC11 assi (resid 12 and name H5' )(resid 12 and name H6 ) 3.2 1.2 0.8 ! 4.12E+02 3.77E+00 H5' dC12 H6 dC12 assi (resid 13 and name H8 )(resid 13 and name H5' ) 3.2 1.2 0.8 ! 7.20E+02 3.44E+00 H8 dG13 H5' dG13 assi (resid 14 and name H8 )(resid 14 and name H5' ) 3.2 1.2 0.8 ! 6.66E+02 3.48E+00 H8 dG14 H5' dG14 assi (resid 15 and name H5' )(resid 15 and name H8 ) 3.2 1.2 0.8 ! 1.05E+03 3.24E+00 H5' dA15 H8 dA15 assi (resid 16 and name H5' )(resid 16 and name H6 ) 3.2 1.2 0.8 ! 5.98E+02 3.54E+00 H5' dT16 H6 dT16 assi (resid 17 and name H5' )(resid 17 and name H6 ) 3.2 1.2 0.8 ! 7.94E+02 3.39E+00 H5' dT17 H6 dT17 assi (resid 18 and name H8 )(resid 18 and name H5' ) 2.5 0.7 0.7 ! 2.16E+03 2.88E+00 H8 dG18 H5' dG18 assi (resid 19 and name H5' )(resid 19 and name H6 ) 3.2 1.2 0.8 ! 4.91E+02 3.66E+00 H5' dC19 H6 dC19 assi (resid 20 and name H5' )(resid 20 and name H6 ) 3.2 1.2 0.8 ! 7.26E+02 3.44E+00 H5' dT20 H6 dT20 !H5''-6/8 () assi (resid 1 and name H5'' )(resid 1 and name H8 ) 3.2 1.2 0.8 ! 7.20E+02 3.44E+00 H5p dA1 H8 dA1 assi (resid 2 and name H5'' )(resid 2 and name H8 ) 3.2 1.2 0.8 ! 6.05E+02 3.54E+00 H5p dG2 H8 dG2 assi (resid 3 and name H5'' )(resid 3 and name H6 ) 3.2 1.2 0.8 ! 6.40E+02 3.51E+00 H5p dC3 H6 dC3 assi (resid 5 and name H5'' )(resid 5 and name H8 ) 3.2 1.2 0.8 ! 4.93E+02 3.66E+00 H5p dA5 H8 dA5 assi (resid 6 and name H5'' )(resid 6 and name H6 ) 3.2 1.2 0.8 ! 8.44E+02 3.35E+00 H5p dT6 H6 dT6 assi (resid 8 and name H5'' )(resid 8 and name H6 ) 4.0 2.2 1.0 ! 2.72E+02 4.03E+00 H5p dC8 H6 dC8 assi (resid 9 and name H5'' )(resid 9 and name H6 ) 3.2 1.2 0.8 ! 3.72E+02 3.83E+00 H5p dC9 H6 dC9 assi (resid 10 and name H6 )(resid 10 and name H5'' ) 4.5 2.7 2.0 ! 1.11E+02 4.66E+00 H6 dC10 H5p dC10 assi (resid 14 and name H8 )(resid 14 and name H5'' ) 4.0 2.2 1.0 ! 2.74E+02 4.02E+00 H8 dG14 H5p dG14 assi (resid 15 and name H8 )(resid 15 and name H5'' ) 3.2 1.2 0.8 ! 4.82E+02 3.67E+00 H8 dA15 H5p dA15 assi (resid 16 and name H5'' )(resid 16 and name H6 ) 3.2 1.2 0.8 ! 1.01E+03 3.26E+00 H5p dT16 H6 dT16 assi (resid 18 and name H8 )(resid 18 and name H5'' ) 3.2 1.2 0.8 ! 7.29E+02 3.43E+00 H8 dG18 H5p dG18 assi (resid 20 and name H6 )(resid 20 and name H5'' ) 3.2 1.2 0.8 ! 1.04E+03 3.24E+00 H6 dT20 H5p dT20 !INTERRESIDUE !H2'(n)-H6/8(n+1) (4.5/4.3) assi (resid 6 and name H6 )(resid 5 and name H2' ) 4.0 2.2 1.0 ! 3.16E+02 3.93E+00 H6 dT6 H2pp dA5 assi (resid 9 and name H6 )(resid 8 and name H2' ) 4.5 2.7 2.0 assi (resid 10 and name H6 )(resid 9 and name H2' ) 4.0 2.2 1.0 ! 2.06E+01 6.14E+00 H6 dC10 H2pp dC9 assi (resid 11 and name H6 )(resid 10 and name H2' ) 4.0 2.2 1.0 ! 4.17E+01 5.47E+00 H6 dC11 H2pp dC10 assi (resid 13 and name H8 )(resid 12 and name H2' ) 4.5 2.7 2.0 !H1'(n+1) - H2(n) (3.1) assi (resid 1 and name H2 )(resid 2 and name H1' ) 3.2 1.2 0.8 ! 1.01E+03 3.26E+00 H2 dA1 H1p dG2 assi (resid 5 and name H1' )(resid 4 and name H2 ) 3.2 1.2 0.8 ! 1.02E+03 3.25E+00 H1p dA5 H2 dA4 assi (resid 6 and name H1' )(resid 5 and name H2 ) 3.2 1.2 0.8 ! 7.33E+02 3.43E+00 H1p dT6 H2 dA5 assi (resid 16 and name H6 )(resid 15 and name H2 ) 4.0 2.2 1.0 ! 1.71E+02 4.34E+00 H6 dT16 H2 dA15 !H1'(n+1)-H2'(n) (4.0) assi (resid 1 and name H2' )(resid 2 and name H1' ) 4.5 2.7 2.0 ! 1.32E+02 4.53E+00 H2pp dA1 H1p dG2 !H1'(n)-H4'(N+1) (5.2) assi (resid 3 and name H1' )(resid 4 and name H4' ) 4.5 2.7 2.0 ! 9.91E+01 4.75E+00 H1p dC3 H4p dA4 assi (resid 4 and name H1' )(resid 5 and name H4' ) 4.5 2.7 2.0 ! 1.11E+02 4.66E+00 H1p dA4 H4p dA5 assi (resid 6 and name H4' )(resid 5 and name H1' ) 4.5 2.7 2.0 ! 1.18E+02 4.62E+00 H4p dT6 H1p dA5 assi (resid 6 and name H1' )(resid 7 and name H4' ) 4.5 2.7 2.0 ! 9.61E+01 4.77E+00 H1p dT6 H4p dC7 assi (resid 7 and name H1' )(resid 8 and name H4' ) 4.5 2.7 2.0 assi (resid 8 and name H1' )(resid 9 and name H4' ) 4.5 2.7 2.0 assi (resid 9 and name H1' )(resid 10 and name H4' ) 4.5 2.7 2.0 assi (resid 10 and name H1' )(resid 11 and name H4' ) 4.5 2.7 2.0 assi (resid 11 and name H1' )(resid 12 and name H4' ) 4.5 2.7 2.0 assi (resid 13 and name H1' )(resid 14 and name H4' ) 4.5 2.7 2.0 ! 1.01E+02 4.74E+00 H1p dG13 H4p dG14 assi (resid 14 and name H1' )(resid 15 and name H4' ) 4.5 2.7 2.0 ! 8.63E+01 4.86E+00 H1p dG14 H4p dA15 assi (resid 15 and name H1' )(resid 16 and name H4' ) 4.5 2.7 2.0 ! 7.79E+01 4.94E+00 H1p dA15 H4p dT16 assi (resid 17 and name H4' )(resid 16 and name H1' ) 4.5 2.7 2.0 ! 7.22E+01 5.00E+00 H4p dT17 H1p dT16 assi (resid 18 and name H1' )(resid 19 and name H4' ) 4.5 2.7 2.0 assi (resid 19 and name H1' )(resid 20 and name H4' ) 4.5 2.7 2.0 ! 9.97E+01 4.74E+00 H1p dC19 H4p dT20 !H2''(n)-H4'(n+1) (3.3) assi (resid 4 and name H2'' )(resid 5 and name H4' ) 4.0 2.2 1.0 ! 2.10E+02 4.20E+00 H2p dA4 H4p dA5 assi (resid 13 and name H2'' )(resid 14 and name H4' ) 3.2 1.2 0.8 ! 6.35E+02 3.51E+00 H2p dG13 H4p dG14 assi (resid 18 and name H4' )(resid 17 and name H2'' ) 3.2 1.2 0.8 ! 6.77E+02 3.47E+00 H4p dG18 H2p dT17 !H2'(n)-H4'(n+1) (2.2) assi (resid 4 and name H4' )(resid 3 and name H2' ) 4.0 2.2 1.0 ! 2.54E+02 4.07E+00 H4p dA4 H2pp dC3 assi (resid 10 and name H2' )(resid 11 and name H4' ) 4.5 2.7 2.0 ! 8.27E+01 4.89E+00 H2pp dC10 H4p dC11 assi (resid 14 and name H2' )(resid 15 and name H4' ) 3.2 1.2 0.8 ! 4.00E+02 3.78E+00 H2pp dG14 H4p dA15 assi (resid 19 and name H4' )(resid 18 and name H2' ) 3.2 1.2 0.8 ! 3.99E+02 3.79E+00 H4p dC19 H2pp dG18 !H3'(n)-H4'(n+1) (4.5) assi (resid 3 and name H3' )(resid 4 and name H4' ) 4.0 2.2 1.0 ! 1.41E+02 4.48E+00 H3p dC3 H4p dA4 assi (resid 7 and name H4' )(resid 6 and name H3' ) 4.5 2.7 2.0 ! 1.11E+02 4.66E+00 H4p dC7 H3p dT6 assi (resid 17 and name H4' )(resid 16 and name H3' ) 4.5 2.7 2.0 ! 9.63E+01 4.77E+00 H4p dT17 H3p dT16 assi (resid 19 and name H3' )(resid 20 and name H4' ) 4.0 2.2 1.0 ! 1.79E+02 4.31E+00 H3p dC19 H4p dT20 !H6/8 - H5'(n+1) (3.8/3.5) assi (resid 2 and name H5' )(resid 1 and name H8 ) 4.5 2.7 2.0 ! 8.69E+01 4.85E+00 H5' dG2 H8 dA1 assi (resid 4 and name H5' )(resid 3 and name H6 ) 3.2 1.2 0.8 ! 3.80E+03 2.63E+00 H5' dA4 H6 dC3 overlap assi (resid 5 and name H5' )(resid 4 and name H8 ) 4.5 2.7 2.0 ! 9.84E+01 4.75E+00 H5' dA5 H8 dA4 assi (resid 6 and name H5' )(resid 5 and name H8 ) 4.0 2.2 1.0 ! 1.88E+02 4.28E+00 H5' dT6 H8 dA5 assi (resid 6 and name H6 )(resid 7 and name H5' ) 4.0 2.2 1.0 ! 2.52E+02 4.08E+00 H6 dT6 H5' dC7 assi (resid 7 and name H6 )(resid 8 and name H5' ) 4.5 2.7 2.0 ! 3.01E+01 5.77E+00 H6 dC7 H5' dC8 assi (resid 8 and name H6 )(resid 9 and name H5' ) 4.5 2.7 2.0 ! 6.87E+01 5.04E+00 H6 dC8 H5' dC9 assi (resid 9 and name H6 )(resid 10 and name H5' ) 4.5 2.7 2.0 ! 1.05E+02 4.71E+00 H6 dC9 H5' dC10 assi (resid 10 and name H6 )(resid 11 and name H5' ) 4.5 2.7 2.0 ! 1.01E+02 4.73E+00 H6 dC10 H5' dC11 assi (resid 11 and name H6 )(resid 12 and name H5' ) 4.5 2.7 2.0 ! 6.33E+01 5.11E+00 H6 dC11 H5' dC12 assi (resid 14 and name H5' )(resid 13 and name H8 ) 4.5 2.7 2.0 ! 1.03E+02 4.72E+00 H5' dG14 H8 dG13 assi (resid 14 and name H8 )(resid 15 and name H5' ) 4.5 2.7 2.0 ! 1.10E+02 4.67E+00 H8 dG14 H5' dA15 assi (resid 17 and name H5' )(resid 16 and name H6 ) 4.5 2.7 2.0 ! 1.02E+02 4.73E+00 H5' dT17 H6 dT16 assi (resid 17 and name H6 )(resid 18 and name H5' ) 4.5 2.7 2.0 ! 1.29E+02 4.55E+00 H6 dT17 H5' dG18 assi (resid 19 and name H5' )(resid 18 and name H8 ) 4.5 2.7 2.0 ! 9.24E+01 4.80E+00 H5' dC19 H8 dG18 assi (resid 20 and name H5' )(resid 19 and name H6 ) 4.5 2.7 2.0 ! 1.04E+02 4.71E+00 H5' dT20 H6 dC19 !6/8(n)-6/8(n+1) assi (resid 1 and name H8 )(resid 2 and name H8 ) 4.5 2.7 2.0 ! 4.37E+02 3.73E+00 H8 dA1 H8 dG2 assi (resid 3 and name H6 )(resid 4 and name H8 ) 4.5 2.7 2.0 ! 3.31E+01 5.68E+00 H6 dC3 H8 dA4 assi (resid 5 and name H8 )(resid 4 and name H8 ) 4.5 2.7 2.0 ! 1.12E+02 4.66E+00 H8 dA5 H8 dA4 assi (resid 6 and name H6 )(resid 5 and name H8 ) 4.5 2.7 2.0 ! 1.20E+02 4.60E+00 H6 dT6 H8 dA5 assi (resid 9 and name H6 )(resid 10 and name H6 ) 4.5 2.7 2.0 ! 8.09E+01 4.91E+00 H6 dC9 H6 dC10 assi (resid 10 and name H6 )(resid 11 and name H6 ) 4.5 2.7 2.0 ! 9.22E+01 4.81E+00 H6 dC10 H6 dC11 assi (resid 14 and name H8 )(resid 15 and name H8 ) 4.5 2.7 2.0 ! 7.98E+01 4.92E+00 H8 dG14 H8 dA15 assi (resid 15 and name H8 )(resid 14 and name H8 ) 4.5 2.7 2.0 ! 1.05E+02 4.70E+00 H8 dA15 H8 dG14 assi (resid 17 and name H6 )(resid 16 and name H6 ) 4.5 2.7 2.0 ! 4.87E+01 5.33E+00 H6 dT17 H6 dT16 assi (resid 18 and name H8 )(resid 17 and name H6 ) 4.5 2.7 2.0 ! 1.27E+02 4.56E+00 H8 dG18 H6 dT17 assi (resid 19 and name H6 )(resid 18 and name H8 ) 4.5 2.7 2.0 ! 3.86E+01 5.54E+00 H6 dC19 H8 dG18 assi (resid 19 and name H6 )(resid 20 and name H6 ) 4.5 2.7 2.0 ! 6.41E+01 5.10E+00 H6 dC19 H6 dT20 assi (resid 4 and name H8 )(resid 3 and name H5 ) 4.0 2.2 1.0 ! 2.51E+02 4.08E+00 H8 dA4 H5 dC3 assi (resid 9 and name H6 )(resid 8 and name H5 ) 4.5 2.7 2.0 assi (resid 9 and name H5 )(resid 8 and name H5 ) 4.5 2.7 2.0 ! original assignment: 9:H5-8:1' assi (resid 9 and name H5 )(resid 10 and name H6 ) 4.5 2.7 2.0 ! 7.36E+01 4.98E+00 H5 dC9 H6 dC10 assi (resid 9 and name H6 )(resid 10 and name H5 ) 4.5 2.7 2.0 ! 4.62E+01 5.38E+00 H6 dC9 H5 dC10 assi (resid 11 and name H5 )(resid 12 and name H6 ) 4.5 2.7 2.0 !H2(n)-H8(n+1) (5.0) assi (resid 1 and name H2 )(resid 2 and name H8 ) 4.0 2.2 1.0 ! 1.62E+02 4.38E+00 H2 dA1 H8 dG2 assi (resid 5 and name H8 )(resid 4 and name H2 ) 4.0 2.2 1.0 ! 1.38E+02 4.50E+00 H8 dA5 H2 dA4 assi (resid 6 and name H6 )(resid 5 and name H2 ) 4.0 2.2 1.0 ! 1.60E+02 4.39E+00 H6 dT6 H2 dA5 !H2(n)-H2(n+1) (5.9) !CROSSTRAND !(5.2) assi (resid 1 and name H2 )(resid 20 and name H1' ) 4.5 2.7 2.0 ! 1.24E+02 4.58E+00 H2 dA1 H1p dT20 assi (resid 17 and name H1' )(resid 4 and name H2 ) 4.5 2.7 2.0 ! 8.97E+01 4.83E+00 H1p dT17 H2 dA4 assi (resid 16 and name H1' )(resid 5 and name H2 ) 4.5 2.7 2.0 ! 1.05E+02 4.70E+00 H1p dT16 H2 dA5 assi (resid 6 and name H1' )(resid 15 and name H2 ) 4.5 2.7 2.0 ! 1.09E+02 4.67E+00 H1p dT6 H2 dA15 !(2.8) assi (resid 18 and name H1' )(resid 4 and name H2 ) 3.2 1.2 0.8 ! 9.64E+02 3.28E+00 H1p dG18 H2 dA4 assi (resid 17 and name H1' )(resid 5 and name H2 ) 3.2 1.2 0.8 ! 8.50E+02 3.35E+00 H1p dT17 H2 dA5 assi (resid 7 and name H1' )(resid 15 and name H2 ) 3.2 1.2 0.8 ! 1.04E+03 3.24E+00 H1p dC7 H2 dA15 !signals from spectrum in H2O !--------------------------- !sequential imino-imino assi (resid 2 and name H1 )(resid 18 and name H1 ) 5.0 3.2 2.0 ! 4.65E+02 6.47E+00 vw H1 dG2 H1 dG18 assi (resid 17 and name H3 )(resid 18 and name H1 ) 5.0 3.2 2.0 ! 9.63E+02 5.73E+00 vw H3 dT17 H1 dG2 assi (resid 17 and name H3 )(resid 16 and name H3 ) 5.0 3.2 2.0 ! 5.65E+02 6.26E+00 vw H3 dT17 H3 dT16 assi (resid 6 and name H3 )(resid 16 and name H3 ) 5.0 3.2 2.0 ! 1.28E+03 5.46E+00 vw H3 dT6 H3 dT16 assi (resid 14 and name H1 )(resid 6 and name H3 ) 5.0 3.2 2.0 ! 2.28E+02 7.28E+00 vw H1 dG14 H3 dT6 !H3-H2 within AT basepair assi (resid 16 and name H3 )(resid 5 and name H2 ) 3.0 1.2 0.8 ! 1.58E+04 3.59E+00 m H3 dT16 H2 dA5 assi (resid 15 and name H2 )(resid 6 and name H3 ) 3.0 1.2 0.8 ! 3.00E+04 3.23E+00 m H2 dA15 H3 dT6 assi (resid 4 and name H2 )(resid 17 and name H3 ) 3.0 1.2 0.8 ! 3.00E+04 3.23E+00 m H2 dA4 H3 dT17 !imino - H2 in flanking basepair assi (resid 15 and name H2 )(resid 16 and name H3 ) 4.0 2.2 1.0 ! 3.16E+03 4.70E+00 w H2 dA15 H3 dT16 assi (resid 5 and name H2 )(resid 6 and name H3 ) 5.0 3.2 2.0 ! 2.06E+03 5.05E+00 vw H2 dA5 H3 dT6 assi (resid 14 and name H1 )(resid 15 and name H2 ) 5.0 3.2 2.0 ! 6.44E+02 6.13E+00 vw H1 dG14 H2 dA15 assi (resid 2 and name H1 )(resid 1 and name H2 ) 5.0 3.2 2.0 ! !imino H6/H8 in flanking basepair intrastrand assi (resid 2 and name H1 )(resid 3 and name H6 ) 5.0 3.2 2.0 ! 1.60E+03 5.26E+00 vw H1 dG2 H6 dC3 assi (resid 18 and name H8 )(resid 17 and name H3 ) 4.0 2.2 1.0 ! 5.21E+03 4.32E+00 w H8 dG18 H3 dT17 assi (resid 17 and name H6 )(resid 16 and name H3 ) 3.0 1.2 0.8 ! 8.90E+03 3.95E+00 m H6 dT17 H3 dT16 assi (resid 7 and name H6 )(resid 6 and name H3 ) 4.0 2.2 1.0 ! 4.74E+03 4.39E+00 w H6 dC7 H3 dT6 assi (resid 14 and name H1 )(resid 15 and name H8 ) 5.0 3.2 2.0 ! 5.44E+02 6.30E+00 vw H1 dG14 H8 dA15 !imino H6/H8 in flanking basepair cross-strand assi (resid 18 and name H1 )(resid 4 and name H8 ) 5.0 3.2 2.0 ! 4.13E+03 4.49E+00 w H1 dG18 H8 dA4 assi (resid 14 and name H1 )(resid 8 and name H6 ) 5.0 3.2 2.0 ! 1.03E+03 5.66E+00 vw H1 dG14 H6 8 assi (resid 17 and name H3 )(resid 5 and name H8 ) 5.0 3.2 2.0 ! 5.68E+03 4.26E+00 w H3 dT17 H8 dA5, increased assi (resid 5 and name H8 )(resid 17 and name H3 ) 5.0 3.2 2.0 ! 5.89E+03 4.24E+00 w H8 dA5 H3 dT17 assi (resid 6 and name H6 )(resid 16 and name H3 ) 5.0 3.2 2.0 assi (resid 16 and name H6 )(resid 6 and name H3 ) 5.0 3.2 2.0 !imino H1' intrastrand assi (resid 7 and name H1' )(resid 6 and name H3 ) 4.0 2.2 1.0 ! 5.84E+03 4.24E+00 w H1p dC7 H3 dT6 assi (resid 14 and name H1 )(resid 15 and name H1' ) 5.0 3.2 2.0 ! 1.66E+03 5.23E+00 vw H1 dG14 H1p dA15 assi (resid 17 and name H1' )(resid 16 and name H3 ) 4.0 2.2 1.0 ! 5.24E+03 4.32E+00 w H1p dT17 H3 dT16 assi (resid 18 and name H1' )(resid 17 and name H3 ) 4.0 2.2 1.0 ! 6.74E+03 4.14E+00 w H1p dG18 H3 dT17 assi (resid 18 and name H1 )(resid 19 and name H1' ) 4.0 2.2 1.0 ! 5.28E+03 4.31E+00 w H1 dG18 H1p dC19 !imino H1' cross-strand assi (resid 17 and name H3 )(resid 5 and name H1' ) 4.0 2.2 1.0 ! 4.37E+03 4.45E+00 w H3 dT17 H1p dA5 assi (resid 4 and name H1' )(resid 18 and name H1 ) 4.0 2.2 1.0 ! 6.92E+03 4.12E+00 w H1p dA4 H1 dG18 assi (resid 3 and name H1' )(resid 18 and name H1 ) 5.0 2.2 2.0 assi (resid 2 and name H1 )(resid 19 and name H1' ) 5.0 3.2 2.0 ! 6.37E+02 6.14E+00 vw H1 dG2 H1p dC19 assi (resid 2 and name H1 )(resid 20 and name H1' ) 5.0 3.2 2.0 assi (resid 16 and name H3 )(resid 6 and name H1' ) 4.0 2.2 1.0 ! 4.17E+03 4.49E+00 w H3 dT16 H1p dT6 assi (resid 6 and name H3 )(resid 16 and name H1' ) 5.0 3.2 2.0 assi (resid 14 and name H1 )(resid 8 and name H1' ) 4.0 2.2 1.0 ! 2.92E+03 4.76E+00 w H1 dG14 H1p 8 !imino-flanking amino assi (resid 19 and name H41 )(resid 18 and name H1 ) 5.0 3.2 2.0 ! 4.07E+02 6.61E+00 vw H41 dC19 H1 dG18 assi (resid 8 and name H41 )(resid 9 and name H5 ) 4.0 2.2 1.0 ! assignment C8:amino
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