NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
12661 |
1tbk   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !File : sl5_3ddata.noe ! !Taken from 90 ms and 180 ms HMQC-NOESY ! !Calibration: 90 ms ! ! I > 0.75 = 1.8 - 3.2 A ! ! 0.75 > I > 0.2 = 1.8 - 4.3 A ! ! 0.2 > I > 0.1 = 1.8 - 5.5 A ! ! 0.1 > I = 1.8 - 7.0 A ! ! 180 ms ! ! ! !If peak in 180 ms only = 1.8 - 7.0 A ! ! ! !Last Modified : October 31, 2002 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! !90 MS DATA ! !Peaks with assigned cross-peaks !690 assign (resid 690 and name H1') (resid 690 and name H3') 4.0 2.2 0.1 ! 90msdata.470 assign (resid 690 and name H1') (resid 690 and name H5') 5.0 3.2 0.5 ! 90msdata.470 assign (resid 690 and name H1') (resid 690 and name H5'') 5.0 3.2 0.5 ! 90msdata.470 assign (resid 690 and name H1') (resid 690 and name H8) 4.0 2.2 0.1 ! 90msdata.470 assign (resid 690 and name H2') (resid 690 and name H3') 3.0 1.2 0.0 ! Noesylist.464 assign (resid 690 and name H2') (resid 690 and name H4') 4.0 2.2 0.1 ! 90msdata.288 assign (resid 690 and name H2') (resid 690 and name H5') 5.0 3.2 0.5 ! 90msdata.626 assign (resid 690 and name H2') (resid 690 and name H5'') 5.0 3.2 0.5 ! Noesylist.619 assign (resid 690 and name H2') (resid 690 and name H8) 5.0 3.2 0.5 ! 90msdata.113 assign (resid 690 and name H2') (resid 691 and name H5'') 5.0 3.2 2.0 ! Noesylist.466 assign (resid 690 and name H2') (resid 691 and name H1') 5.0 3.2 0.5 ! 90msdata.199 assign (resid 690 and name H2') (resid 691 and name H5) 5.0 3.2 0.5 ! 90msdata.187 assign (resid 690 and name H2') (resid 691 and name H6) 3.0 1.2 0.0 ! 90msdata.77 assign (resid 690 and name H3') (resid 690 and name H5'') 5.0 3.2 0.5 ! 90msdata.620 assign (resid 690 and name H3') (resid 690 and name H5') 5.0 3.2 0.5 ! 90msdata.627 assign (resid 690 and name H3') (resid 690 and name H8) 4.0 2.2 0.1 ! 90msdata.627 assign (resid 690 and name H3') (resid 691 and name H5) 5.0 3.2 0.5 ! 90msdata.471 assign (resid 690 and name H3') (resid 691 and name H5'') 5.0 3.2 2.0 ! Noesylist.472 assign (resid 690 and name H3') (resid 691 and name H6) 3.0 1.2 0.0 ! 90msdata.469 assign (resid 690 and name H4') (resid 690 and name H5'') 3.0 1.2 0.0 ! 90msdata.621 assign (resid 690 and name H4') (resid 690 and name H5') 5.0 3.2 0.5 ! 90msdata.628 assign (resid 690 and name H4') (resid 690 and name H8) 5.0 3.2 0.5 ! 90msdata.115 assign (resid 690 and name H4') (resid 691 and name H5) 5.0 3.2 2.0 ! 90msdata.287 assign (resid 690 and name H4') (resid 691 and name H6) 5.0 3.2 0.5 ! 90msdata.285 assign (resid 690 and name H5'') (resid 691 and name H5) 5.0 3.2 0.5 ! 90msdata.618 assign (resid 690 and name H5') (resid 691 and name H5) 5.0 3.2 0.5 ! 90msdata.625 assign (resid 690 and name H5') (resid 690 and name H8) 5.0 3.2 0.5 ! 90msdata.625 assign (resid 690 and name H5'') (resid 690 and name H8) 5.0 3.2 0.5 ! 90msdata.625 assign (resid 690 and name H8) (resid 691 and name H5) 5.0 3.2 2.0 ! 180msdata.674 assign (resid 690 and name H8) (resid 691 and name H6) 5.0 3.2 0.5 ! 90msdata.74 !691 assign (resid 691 and name H1') (resid 691 and name H3') 4.0 2.2 0.1 ! 90msdata.515 assign (resid 691 and name H1') (resid 691 and name H5') 5.0 3.2 0.5 ! 90msdata.182 assign (resid 691 and name H1') (resid 691 and name H5'') 5.0 3.2 0.5 ! 90msdata.182 assign (resid 691 and name H1') (resid 691 and name H5) 5.0 3.2 0.5 ! 90msdata.182 assign (resid 691 and name H1') (resid 691 and name H6) 4.0 2.2 0.1 ! 90msdata.182 assign (resid 691 and name H1') (resid 692 and name H5') 5.0 3.2 2.0 ! 180msdata.772 assign (resid 691 and name H1') (resid 692 and name H8) 5.0 3.2 0.5 ! 90msdata.121 assign (resid 691 and name H1') (resid 705 and name H1) 6.0 3.2 1.0 ! test.52 assign (resid 691 and name H2') (resid 691 and name H6) 4.0 2.2 0.1 ! 90msdata.78 assign (resid 691 and name H2') (resid 692 and name H8) 4.0 2.2 0.1 ! 90msdata.122 assign (resid 691 and name H3') (resid 691 and name H6) 4.0 2.2 0.1 ! 90msdata.514 assign (resid 691 and name H3') (resid 692 and name H8) 4.0 2.2 0.1 ! 90msdata.514 assign (resid 691 and name H4') (resid 691 and name H6) 5.0 3.2 0.5 ! 90msdata.339 assign (resid 691 and name H5') (resid 691 and name H6) 5.0 3.2 0.5 ! 90msdata.339 assign (resid 691 and name H5'') (resid 691 and name H6) 4.0 2.2 0.1 ! 90msdata.339 assign (resid 691 and name H41) (resid 705 and name H1) 4.5 2.7 1.0! 25noes.38 assign (resid 691 and name H42) (resid 705 and name H1) 4.5 2.7 1.0! test.50 assign (resid 691 and name H4#) (resid 691 and name H6) 4.5 2.7 1.0 ! 25noes.15 assign (resid 691 and name H4#) (resid 692 and name H21) 6.0 4.2 1.0 ! 25noes.25 !assign (resid 691 and name H4#) (resid 692 and name H8) 6.0 4.2 1.0 ! 25noes.21 assign (resid 691 and name H6) (resid 692 and name H8) 5.0 3.2 0.5 ! Noesylist.118 !692 assign (resid 692 and name H1') (resid 692 and name H3') 4.0 2.2 0.1 ! 90msdata.492 assign (resid 692 and name H1') (resid 692 and name H5'') 5.0 3.2 0.5 ! 90msdata.492 assign (resid 692 and name H1') (resid 692 and name H5') 5.0 3.2 0.5 ! 90msdata.492 assign (resid 692 and name H1') (resid 692 and name H1) 6.0 4.2 1.0 ! 25noes.51 assign (resid 692 and name H1') (resid 692 and name H8) 4.0 2.2 0.1 ! 25noes.51 assign (resid 692 and name H1') (resid 693 and name H8) 5.0 3.2 0.5 ! 90msdata.106 assign (resid 692 and name H1') (resid 705 and name H1) 6.0 4.2 1.0 ! 25noes.43 assign (resid 692 and name H1') (resid 705 and name H2#) 6.0 4.2 1.0 ! test.105 assign (resid 692 and name H2') (resid 692 and name H5'') 5.0 3.2 0.5 ! 90msdata.411 assign (resid 692 and name H2') (resid 692 and name H8) 4.0 2.2 0.1 ! 90msdata.408 assign (resid 692 and name H2') (resid 693 and name H8) 3.0 1.2 0.0 ! 90msdata.107 assign (resid 692 and name H3') (resid 692 and name H5'') 4.0 2.2 0.1 ! 90msdata.493 assign (resid 692 and name H3') (resid 692 and name H8) 4.0 2.2 0.1 ! 90msdata.486 assign (resid 692 and name H3') (resid 693 and name H8) 3.0 1.2 0.0 ! 90msdata.485 assign (resid 692 and name H4') (resid 692 and name H8) 5.0 3.2 0.5 ! 90msdata.342 assign (resid 692 and name H5') (resid 692 and name H8) 5.0 3.2 0.5 ! 90msdata.572 assign (resid 692 and name H5'') (resid 692 and name H8) 4.0 2.2 0.1 ! 90msdata.572 assign (resid 692 and name H1) (resid 692 and name H2#) 4.5 2.7 1.0 ! test.3 assign (resid 692 and name H1) (resid 693 and name H1') 4.5 2.7 1.0! 25noes.49 assign (resid 692 and name H1) (resid 693 and name H2) 4.5 2.7 1.0 ! 25noes.47 assign (resid 692 and name H1) (resid 693 and name H6#) 6.0 4.2 1.0 ! test.22 assign (resid 692 and name H1) (resid 693 and name H8) 6.0 4.2 1.0 ! test.54 assign (resid 692 and name H1) (resid 703 and name H3) 6.0 4.2 1.0 ! test.39 assign (resid 692 and name H1) (resid 704 and name H41) 4.5 2.7 1.0 ! 25noes.39 assign (resid 692 and name H1) (resid 704 and name H42) 4.5 2.7 1.0 ! test.57 assign (resid 692 and name H1) (resid 704 and name H5) 6.0 4.2 1.0 ! test.60 assign (resid 692 and name H1) (resid 705 and name H1') 6.0 4.2 1.0! 25noes.50 assign (resid 692 and name H1) (resid 705 and name H1) 6.0 4.2 1.0 ! test.40 assign (resid 692 and name H1) (resid 705 and name H8) 6.0 4.2 1.0 ! 25noes.46 assign (resid 692 and name H21) (resid 704 and name H4#) 4.5 2.7 1.0! 25noes.27 assign (resid 692 and name H2#) (resid 693 and name H1') 6.0 4.2 1.0 ! test.17 assign (resid 692 and name H2#) (resid 693 and name H2) 6.0 4.2 1.0 ! test.15 assign (resid 692 and name H2#) (resid 693 and name H8) 6.0 4.2 1.0 ! test.102 assign (resid 692 and name H2#) (resid 704 and name H1') 4.5 2.7 1.0 ! test.19 assign (resid 692 and name H2#) (resid 704 and name H41) 4.5 2.7 1.0 ! test.101 assign (resid 692 and name H2#) (resid 705 and name H1') 6.0 4.2 1.0 ! test.18 assign (resid 692 and name H2#) (resid 705 and name H1) 6.0 4.2 1.0 ! test.4 assign (resid 692 and name H2#) (resid 705 and name H8) 6.0 4.2 1.0 ! test.103 !assign (resid 692 and name H8) (resid 693 and name H6#) 6.0 4.2 1.0 ! test.96 assign (resid 692 and name H8) (resid 693 and name H8) 5.0 3.2 0.5 ! test.96 assign (resid 692 and name H8) (resid 705 and name H1) 6.0 4.2 1.0 ! test.92 !693 assign (resid 693 and name H1') (resid 693 and name H2) 5.0 3.2 0.5 ! 90msdata.7 assign (resid 693 and name H1') (resid 693 and name H3') 4.0 2.2 0.1 ! 90msdata.505 assign (resid 693 and name H1') (resid 693 and name H5'') 5.0 3.2 0.5 ! Noesylist.602 assign (resid 693 and name H1') (resid 693 and name H5') 5.0 3.2 0.5 ! Noesylist.602 assign (resid 693 and name H1') (resid 693 and name H8) 4.0 2.2 0.1 ! Noesylist.602 assign (resid 693 and name H1') (resid 694 and name H5') 5.0 3.2 2.0 ! 180msdata.693 assign (resid 693 and name H1') (resid 694 and name H5'') 5.0 3.2 2.0 ! 180msdata.697 assign (resid 693 and name H1') (resid 694 and name H8) 5.0 3.2 0.5 ! 90msdata.134 assign (resid 693 and name H2') (resid 693 and name H2) 5.0 3.2 0.5 ! 90msdata.396 assign (resid 693 and name H2') (resid 693 and name H8) 4.0 2.2 0.1 ! 90msdata.398 assign (resid 693 and name H2') (resid 694 and name H1') 5.0 3.2 0.5 ! 90msdata.247 assign (resid 693 and name H2') (resid 694 and name H8) 3.0 1.2 0.0 ! 90msdata.137 assign (resid 693 and name H2') (resid 694 and name H5'') 5.0 3.2 0.5 ! 90msdata.401 assign (resid 693 and name H3') (resid 693 and name H5'') 4.0 2.2 0.1 ! 90msdata.506 assign (resid 693 and name H3') (resid 693 and name H8) 4.0 2.2 0.1 ! 90msdata.499 assign (resid 693 and name H3') (resid 694 and name H8) 4.0 2.2 0.1 ! 90msdata.500 assign (resid 693 and name H4') (resid 693 and name H8) 5.0 3.2 0.5 ! 90msdata.108 assign (resid 693 and name H5') (resid 693 and name H8) 5.0 3.2 0.5 ! 90msdata.108 assign (resid 693 and name H5'') (resid 693 and name H8) 4.0 2.2 0.1 ! 90msdata.108 assign (resid 693 and name H4') (resid 694 and name H8) 5.0 3.2 2.0 ! 180msdata.138 assign (resid 693 and name H2) (resid 693 and name H6#) 4.5 2.7 1.0 ! test.26 assign (resid 693 and name H2) (resid 694 and name H1') 4.0 2.2 0.1 ! 90msdata.8 assign (resid 693 and name H2) (resid 694 and name H4') 5.0 3.2 2.0 ! 180msdata.787 assign (resid 693 and name H2) (resid 694 and name H1) 6.0 4.2 1.0 ! test.45 assign (resid 693 and name H2) (resid 694 and name H2#) 6.0 4.2 1.0 ! test.11 assign (resid 693 and name H2) (resid 704 and name H1') 4.0 2.2 0.1 ! 90msdata.205 assign (resid 693 and name H2) (resid 703 and name H1') 5.0 3.2 0.5 ! 90msdata.205 assign (resid 693 and name H2) (resid 703 and name H2') 5.0 3.2 0.5 ! 90msdata.10 assign (resid 693 and name H2) (resid 703 and name H3) 4.5 2.7 1.0 ! 25noes.4 assign (resid 693 and name H2) (resid 704 and name H2') 5.0 3.2 2.0 ! 180msdata.10 assign (resid 693 and name H6#) (resid 694 and name H1) 6.0 4.2 1.0 ! test.21 assign (resid 693 and name H6#) (resid 702 and name H41) 6.0 4.2 1.0 ! test.24 assign (resid 693 and name H6#) (resid 702 and name H42) 6.0 4.2 1.0 ! test.27 !assign (resid 693 and name H6#) (resid 703 and name H6) 6.0 4.2 1.0 ! test.20 assign (resid 693 and name H6#) (resid 704 and name H41) 6.0 4.2 1.0 ! test.25 assign (resid 693 and name H6#) (resid 704 and name H42) 6.0 4.2 1.0 ! test.28 assign (resid 693 and name H8) (resid 694 and name H8) 5.0 3.2 0.5 ! test.28 !694 assign (resid 694 and name H1') (resid 694 and name H3') 4.0 2.2 0.1 ! 90msdata.250 assign (resid 694 and name H1') (resid 694 and name H5') 5.0 3.2 0.5 ! 90msdata.576 assign (resid 694 and name H1') (resid 694 and name H5'') 5.0 3.2 0.5 ! 90msdata.576 assign (resid 694 and name H1') (resid 694 and name H8) 4.0 2.2 0.1 ! 90msdata.576 assign (resid 694 and name H1') (resid 695 and name H5') 5.0 3.2 2.0 !180msdata.248 assign (resid 694 and name H1') (resid 695 and name H5) 5.0 3.2 2.0 ! 180msdata.740 assign (resid 694 and name H1') (resid 695 and name H6) 5.0 3.2 0.5 ! 90msdata.82 assign (resid 694 and name H2') (resid 694 and name H5'') 5.0 3.2 0.5 ! 90msdata.443 assign (resid 694 and name H2') (resid 694 and name H8) 5.0 3.2 0.5 ! 90msdata.433 assign (resid 694 and name H2') (resid 695 and name H5) 5.0 3.2 0.5 ! 90msdata.157 assign (resid 694 and name H2') (resid 695 and name H6) 3.0 1.2 0.0 ! 90msdata.84 assign (resid 694 and name H3') (resid 694 and name H5') 4.0 2.2 0.1 ! Noesylist.352 assign (resid 694 and name H3') (resid 694 and name H8) 4.0 2.2 0.1 ! Noesylist.352 assign (resid 694 and name H3') (resid 695 and name H5) 5.0 3.2 0.5 ! 90msdata.158 assign (resid 694 and name H3') (resid 695 and name H6) 5.0 3.2 0.5 ! 90msdata.490 assign (resid 694 and name H4') (resid 694 and name H8) 5.0 3.2 0.5 ! 90msdata.139 assign (resid 694 and name H4') (resid 695 and name H6) 5.0 3.2 2.0 ! 90msdata.343 assign (resid 694 and name H5') (resid 694 and name H8) 5.0 3.2 0.5 ! 180msdata.770 assign (resid 694 and name H5'') (resid 694 and name H8) 4.0 2.2 0.1 ! 180msdata.770 assign (resid 694 and name H5') (resid 695 and name H6) 5.0 3.2 2.0 ! 180msdata.770 assign (resid 694 and name H5'') (resid 695 and name H6) 5.0 3.2 2.0 ! 180msdata.771 assign (resid 694 and name H1) (resid 694 and name H21) 6.0 4.2 1.0 ! test.90 assign (resid 694 and name H1) (resid 694 and name H2#) 6.0 4.2 1.0 ! test.1 assign (resid 694 and name H1) (resid 695 and name H1') 6.0 4.2 1.0 ! test.48 assign (resid 694 and name H1) (resid 701 and name H2) 6.0 4.2 1.0 ! test.44 assign (resid 694 and name H1) (resid 701 and name H6#) 6.0 4.2 1.0 ! test.23 assign (resid 694 and name H1) (resid 702 and name H41) 4.5 2.7 1.0 ! 25noes.37 assign (resid 694 and name H1) (resid 702 and name H42) 4.5 2.7 1.0 ! test.46 assign (resid 694 and name H1) (resid 703 and name H1') 6.0 4.2 1.0 ! 25noes.41 assign (resid 694 and name H1) (resid 703 and name H3) 6.0 4.2 1.0 ! test.77 assign (resid 694 and name H2#) (resid 695 and name H1') 6.0 4.2 1.0 ! test.13 assign (resid 694 and name H2#) (resid 701 and name H2) 6.0 4.2 1.0 ! test.104 assign (resid 694 and name H2#) (resid 703 and name H1') 6.0 4.2 1.0 ! test.13 assign (resid 694 and name H2#) (resid 703 and name H3) 6.0 4.2 1.0 ! test.0 assign (resid 694 and name H8) (resid 695 and name H5) 5.0 3.2 0.5 ! 90msdata.154 assign (resid 694 and name H8) (resid 695 and name H6) 5.0 3.2 0.5 ! 90msdata.154 !695 assign (resid 695 and name H1') (resid 695 and name H3') 4.0 2.2 0.1 ! 90msdata.496 assign (resid 695 and name H1') (resid 695 and name H5') 5.0 3.2 0.5 ! 90msdata.496 assign (resid 695 and name H1') (resid 695 and name H5'') 5.0 3.2 0.5 ! 90msdata.496 assign (resid 695 and name H1') (resid 695 and name H5) 5.0 3.2 2.0 ! 180msdata.689 assign (resid 695 and name H1') (resid 695 and name H6) 4.0 2.2 0.1 ! 90msdata.218 assign (resid 695 and name H1') (resid 696 and name H5') 5.0 3.2 2.0 ! 180msdata.583 assign (resid 695 and name H1') (resid 696 and name H6) 5.0 3.2 0.5 ! Noesylist.217 assign (resid 695 and name H1') (resid 701 and name H2) 5.0 3.2 2.0 ! 180msdata.783 assign (resid 695 and name H2') (resid 695 and name H5'') 5.0 3.2 0.5 ! 90msdata.406 assign (resid 695 and name H2') (resid 695 and name H5) 5.0 3.2 2.0 ! 90msdata.405 assign (resid 695 and name H2') (resid 695 and name H6) 4.0 2.2 0.1 ! 90msdata.403 assign (resid 695 and name H2') (resid 696 and name H6) 3.0 1.2 0.0 ! 90msdata.43 assign (resid 695 and name H2') (resid 696 and name H5) 5.0 3.2 0.5 ! 90msdata.151 assign (resid 695 and name H3') (resid 695 and name H5'') 4.0 2.2 0.1 ! 90msdata.498 assign (resid 695 and name H3') (resid 695 and name H5) 5.0 3.2 0.5 ! 90msdata.497 assign (resid 695 and name H3') (resid 695 and name H6) 4.0 2.2 0.1 ! 90msdata.497 assign (resid 695 and name H3') (resid 696 and name H5) 5.0 3.2 0.5 ! 90msdata.152 assign (resid 695 and name H3') (resid 696 and name H6) 4.0 2.2 0.1 ! 90msdata.489 assign (resid 695 and name H4') (resid 695 and name H5'') 3.0 1.2 0.0 ! 90msdata.336 assign (resid 695 and name H4') (resid 695 and name H6) 5.0 3.2 0.5 ! 90msdata.334 assign (resid 695 and name H4') (resid 696 and name H6) 5.0 3.2 0.5 ! Noesylist.333 assign (resid 695 and name H5') (resid 695 and name H6) 5.0 3.2 0.5 ! 180msdata.693 assign (resid 695 and name H5'') (resid 695 and name H6) 5.0 3.2 0.5 ! 180msdata.693 assign (resid 695 and name H5') (resid 696 and name H6) 5.0 3.2 2.0 ! 180msdata.693 !assign (resid 695 and name H5) (resid 696 and name H1') 5.0 3.2 2.0 ! 90msdata.149 assign (resid 695 and name H5) (resid 696 and name H5) 5.0 3.2 0.5 ! 90msdata.149 assign (resid 695 and name H5) (resid 696 and name H6) 5.0 3.2 2.0 ! 180msdata.639 assign (resid 695 and name H6) (resid 696 and name H5') 5.0 3.2 2.0 ! 180msdata.691 assign (resid 695 and name H6) (resid 696 and name H5) 5.0 3.2 0.5 ! 90msdata.148 assign (resid 695 and name H6) (resid 696 and name H6) 5.0 3.2 0.5 ! 90msdata.148 !696 assign (resid 696 and name H1') (resid 696 and name H3') 4.0 2.2 0.1 ! 90msdata.483 assign (resid 696 and name H1') (resid 696 and name H5') 5.0 3.2 0.5 ! Noesylist.584 assign (resid 696 and name H1') (resid 696 and name H5'') 5.0 3.2 0.5 ! 90msdata.686 assign (resid 696 and name H1') (resid 696 and name H5) 5.0 3.2 2.0 ! 180msdata.658 assign (resid 696 and name H1') (resid 696 and name H6) 4.0 2.2 0.1 ! 180msdata.658 assign (resid 696 and name H1') (resid 697 and name H5') 5.0 3.2 2.0 ! 180msdata.686 assign (resid 696 and name H1') (resid 697 and name H5'') 5.0 3.2 2.0 ! 180msdata.685 assign (resid 696 and name H1') (resid 697 and name H3') 5.0 3.2 2.0 ! 180msdata.750 assign (resid 696 and name H1') (resid 697 and name H8) 5.0 3.2 2.0 ! 180msdata.683 assign (resid 696 and name H1') (resid 698 and name H8) 5.0 3.2 0.5 ! 180msdata.682 assign (resid 696 and name H1') (resid 699 and name H5) 5.0 3.2 0.5 ! 90msdata.212 assign (resid 696 and name H1') (resid 701 and name H2) 4.0 2.2 0.1 ! 90msdata.6 assign (resid 696 and name H2') (resid 696 and name H6) 4.0 2.2 0.1 ! 90msdata.431 assign (resid 696 and name H2') (resid 697 and name H1') 5.0 3.2 2.0 ! 90msdata.273 assign (resid 696 and name H2') (resid 697 and name H8) 4.0 2.2 0.1 ! 90msdata.100 assign (resid 696 and name H2') (resid 698 and name H8) 4.0 2.2 0.1 ! 90msdata.429 !assign (resid 696 and name H2') (resid 699 and name H5) 5.0 3.2 2.0 ! 180msdata.649 !assign (resid 696 and name H2') (resid 701 and name H2) 5.0 3.2 2.0 ! 180msdata.649 assign (resid 696 and name H3') (resid 696 and name H5'') 5.0 3.2 0.5 ! 90msdata.484 assign (resid 696 and name H3') (resid 696 and name H5) 5.0 3.2 2.0 ! 90msdata.150 assign (resid 696 and name H3') (resid 696 and name H6) 4.0 2.2 0.1 ! 90msdata.150 assign (resid 696 and name H3') (resid 697 and name H8) 5.0 3.2 0.5 ! 90msdata.99 assign (resid 696 and name H3') (resid 698 and name H8) 5.0 3.2 2.0 ! 240msdata.610 assign (resid 696 and name H4') (resid 696 and name H6) 5.0 3.2 0.5 ! 90msdata.44 assign (resid 696 and name H4') (resid 697 and name H8) 5.0 3.2 2.0 ! 180msdata.652 !assign (resid 696 and name H4') (resid 701 and name H2) 5.0 3.2 2.0 ! 180msdata.652 assign (resid 696 and name H5'') (resid 696 and name H5) 5.0 3.2 2.0 ! 180msdata.774 assign (resid 696 and name H5') (resid 696 and name H5) 5.0 3.2 2.0 ! 180msdata.583 assign (resid 696 and name H5'') (resid 696 and name H6) 4.0 2.2 0.1 ! 180msdata.774 assign (resid 696 and name H5') (resid 696 and name H6) 5.0 3.2 0.5 ! 180msdata.774 assign (resid 696 and name H6) (resid 697 and name H5') 5.0 3.2 2.0 ! 180msdata.774 !697 assign (resid 697 and name H1') (resid 697 and name H2') 4.0 2.2 0.1 ! 90msdata.456 assign (resid 697 and name H1') (resid 697 and name H3') 4.0 2.2 0.1 ! 90msdata.416 assign (resid 697 and name H1') (resid 697 and name H4') 4.0 2.2 0.1 ! 90msdata.314 assign (resid 697 and name H1') (resid 697 and name H5') 5.0 3.2 2.0 ! 180msdata.711 assign (resid 697 and name H1') (resid 697 and name H5'') 5.0 3.2 2.0 ! 90msdata.562 assign (resid 697 and name H1') (resid 697 and name H2#) 6.0 4.2 1.0 ! 25noes.57 assign (resid 697 and name H1') (resid 697 and name H8) 4.0 2.2 0.1 ! 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90msdata.717 !assign (resid 698 and name H1') (resid 699 and name H3') 5.0 3.2 2.0 ! 180msdata.738 assign (resid 698 and name H1') (resid 699 and name H5'') 5.0 3.2 2.0 ! 90msdata.716 assign (resid 698 and name H1') (resid 699 and name H5') 5.0 3.2 0.5 ! 90msdata.716 !assign (resid 698 and name H1') (resid 699 and name H5) 5.0 3.2 2.0 ! 180msdata.714 assign (resid 698 and name H1') (resid 699 and name H6) 5.0 3.2 0.5 ! 90msdata.20 assign (resid 698 and name H2') (resid 698 and name H2) 5.0 3.2 2.0 ! 180msdata.776 assign (resid 698 and name H2') (resid 698 and name H3') 3.0 1.2 0.0 ! 90msdata.389 assign (resid 698 and name H2') (resid 698 and name H5'') 5.0 3.2 0.5 ! 90msdata.553 assign (resid 698 and name H2') (resid 698 and name H5') 5.0 3.2 0.5 ! 90msdata.559 assign (resid 698 and name H2') (resid 698 and name H8) 5.0 3.2 0.5 ! 90msdata.51 assign (resid 698 and name H2') (resid 699 and name H1') 5.0 3.2 2.0 ! 180msdata.746 assign (resid 698 and name H2') (resid 699 and name H5) 5.0 3.2 0.5 ! 90msdata.167 assign (resid 698 and name H2') (resid 699 and name H6) 4.0 2.2 0.1 ! 90msdata.25 assign (resid 698 and name H2) (resid 698 and name H6#) 6.0 4.2 1.0 ! test.34 assign (resid 698 and name H3') (resid 698 and name H4') 3.0 1.2 0.0 ! 90msdata.296 assign (resid 698 and name H3') (resid 698 and name H5'') 5.0 3.2 0.5 ! 90msdata.552 assign (resid 698 and name H3') (resid 698 and name H5') 5.0 3.2 0.5 ! 90msdata.558 assign (resid 698 and name H3') (resid 698 and name H8) 4.0 2.2 0.1 ! 90msdata.50 assign (resid 698 and name H3') (resid 699 and name H5') 5.0 3.2 0.5 ! 90msdata.547 assign (resid 698 and name H3') (resid 699 and name H5'') 5.0 3.2 2.0 ! 180msdata.741 assign (resid 698 and name H3') (resid 699 and name H5) 5.0 3.2 0.5 ! 90msdata.166 assign (resid 698 and name H3') (resid 699 and name H6) 5.0 3.2 0.5 ! 90msdata.23 assign (resid 698 and name H4') (resid 698 and name H5'') 3.0 1.2 0.0 ! 90msdata.554 assign (resid 698 and name H4') (resid 698 and name H5') 3.0 1.2 0.0 ! 90msdata.560 assign (resid 698 and name H4') (resid 698 and name H8) 5.0 3.2 0.5 ! 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180msdata.777 assign (resid 698 and name H6#) (resid 698 and name H8) 6.0 4.2 1.0 ! test.100 !assign (resid 698 and name H8) (resid 699 and name H5') 5.0 3.2 2.0 ! 180msdata.674 assign (resid 698 and name H8) (resid 699 and name H5) 5.0 3.2 0.5 ! 90msdata.47 assign (resid 698 and name H8) (resid 699 and name H6) 5.0 3.2 0.5 ! 90msdata.47 !699 assign (resid 699 and name H1') (resid 699 and name H2') 4.0 2.2 0.1 ! 90msdata.378 assign (resid 699 and name H1') (resid 699 and name H3') 5.0 3.2 0.5 ! 90msdata.371 assign (resid 699 and name H1') (resid 699 and name H4') 4.0 2.2 0.1 ! 90msdata.307 assign (resid 699 and name H1') (resid 699 and name H5') 5.0 3.2 2.0 ! 180msdata.726 assign (resid 699 and name H1') (resid 699 and name H5'') 5.0 3.2 2.0 ! 180msdata.725 assign (resid 699 and name H1') (resid 699 and name H5) 5.0 3.2 2.0 ! 180msdata.666 assign (resid 699 and name H1') (resid 699 and name H6) 4.0 2.2 0.1 ! 180msdata.666 !assign (resid 699 and name H1') (resid 700 and name H2') 5.0 3.2 2.0 ! 180msdata.529 assign (resid 699 and name H1') (resid 700 and name H5'') 5.0 3.2 2.0 ! 180msdata.727 assign (resid 699 and name H1') (resid 700 and name H6) 5.0 3.2 2.0 ! 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Noesylist.379 assign (resid 699 and name H2') (resid 699 and name H6) 4.0 2.2 0.1 ! 90msdata.27 !assign (resid 699 and name H2') (resid 700 and name H1') 5.0 3.2 2.0 ! 180msdata.656 !assign (resid 699 and name H2') (resid 700 and name H5) 5.0 3.2 2.0 ! 180msdata.656 assign (resid 699 and name H2') (resid 700 and name H6) 5.0 3.2 0.5 ! 90msdata.376 !assign (resid 699 and name H2') (resid 701 and name H1') 5.0 3.2 2.0 ! 90msdata.376 assign (resid 699 and name H2') (resid 701 and name H8) 5.0 3.2 0.5 ! 90msdata.95 assign (resid 699 and name H3') (resid 699 and name H4') 3.0 1.2 0.0 ! 90msdata.308 assign (resid 699 and name H3') (resid 699 and name H5') 4.0 2.2 0.1 ! 90msdata.548 assign (resid 699 and name H3') (resid 699 and name H5'') 4.0 2.2 0.1 ! 90msdata.544 assign (resid 699 and name H3') (resid 699 and name H6) 4.0 2.2 0.1 ! 90msdata.24 !assign (resid 699 and name H3') (resid 700 and name H1') 5.0 3.2 2.0 ! 90msdata.530 !assign (resid 699 and name H3') (resid 700 and name H5'') 5.0 3.2 2.0 ! 90msdata.530 !assign (resid 699 and name H3') (resid 700 and name H5') 5.0 3.2 2.0 ! 90msdata.531 assign (resid 699 and name H3') (resid 700 and name H5) 5.0 3.2 2.0 ! 90msdata.145 assign (resid 699 and name H3') (resid 700 and name H6) 5.0 3.2 0.5 ! 90msdata.14 assign (resid 699 and name H4') (resid 699 and name H5'') 3.0 1.2 0.0 ! 90msdata.310 assign (resid 699 and name H4') (resid 699 and name H6) 5.0 3.2 0.5 ! 90msdata.26 assign (resid 699 and name H4') (resid 700 and name H5) 5.0 3.2 2.0 ! 180msdata.655 assign (resid 699 and name H4') (resid 700 and name H6) 5.0 3.2 0.5 ! 90msdata.16 !assign (resid 699 and name H4') (resid 701 and name H8) 5.0 3.2 2.0 ! 180msdata.661 assign (resid 699 and name H5'') (resid 699 and name H6) 5.0 3.2 0.5 ! 180msdata.725 assign (resid 699 and name H5') (resid 699 and name H6) 5.0 3.2 0.5 ! 180msdata.725 assign (resid 699 and name H5'') (resid 700 and name H6) 5.0 3.2 2.0 ! 180msdata.730 assign (resid 699 and name H5) (resid 699 and name H6) 3.0 1.2 0.0 ! 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Noesylist.188 !assign (resid 701 and name H2) (resid 702 and name H2') 5.0 3.2 2.0 ! 180msdata.641 assign (resid 701 and name H2) (resid 702 and name H4#) 6.0 4.2 1.0 ! 25noes.19 assign (resid 701 and name H6#) (resid 701 and name H8) 6.0 4.2 1.0 ! test.99 assign (resid 701 and name H6#) (resid 702 and name H41) 6.0 4.2 1.0 ! test.29 assign (resid 701 and name H6#) (resid 702 and name H42) 6.0 4.2 1.0 ! test.32 !assign (resid 701 and name H6#) (resid 702 and name H6) 6.0 4.2 1.0 ! test.97 assign (resid 701 and name H8) (resid 702 and name H5) 5.0 3.2 0.5 ! 180msdata.671 assign (resid 701 and name H8) (resid 702 and name H6) 5.0 3.2 0.5 ! 180msdata.671 !702 assign (resid 702 and name H1') (resid 702 and name H3') 4.0 2.2 0.1 ! 90msdata.509 assign (resid 702 and name H1') (resid 702 and name H5') 5.0 3.2 0.5 ! 90msdata.509 assign (resid 702 and name H1') (resid 702 and name H5'') 5.0 3.2 0.5 ! 90msdata.509 assign (resid 702 and name H1') (resid 702 and name H5) 5.0 3.2 2.0 ! 180msdata.677 assign (resid 702 and name H1') (resid 702 and name H6) 4.0 2.2 0.1 ! 180msdata.677 assign (resid 702 and name H1') (resid 703 and name H5') 5.0 3.2 2.0 ! 180msdata.679 assign (resid 702 and name H1') (resid 703 and name H6) 5.0 3.2 0.5 ! 90msdata.30 assign (resid 702 and name H2') (resid 702 and name H5'') 5.0 3.2 0.5 ! 90msdata.447 assign (resid 702 and name H2') (resid 702 and name H6) 4.0 2.2 0.1 ! 90msdata.436 assign (resid 702 and name H2') (resid 703 and name H1') 5.0 3.2 0.5 ! 90msdata.208 assign (resid 702 and name H2') (resid 703 and name H5') 4.0 2.2 0.1 ! 90msdata.614 assign (resid 702 and name H2') (resid 703 and name H5) 5.0 3.2 0.5 ! 90msdata.163 assign (resid 702 and name H2') (resid 703 and name H6) 3.0 1.2 0.0 ! 90msdata.36 assign (resid 702 and name H3') (resid 702 and name H6) 4.0 2.2 0.1 ! 90msdata.162 assign (resid 702 and name H3') (resid 703 and name H5) 5.0 3.2 0.5 ! 90msdata.162 assign (resid 702 and name H3') (resid 703 and name H6) 4.0 2.2 0.1 ! 90msdata.35 assign (resid 702 and name H3') (resid 702 and name H5'') 4.0 2.2 0.1 ! 90msdata.512 assign (resid 702 and name H3') (resid 702 and name H5) 5.0 3.2 2.0 ! 180msdata.672 assign (resid 702 and name H4') (resid 702 and name H6) 5.0 3.2 0.5 ! 90msdata.344 assign (resid 702 and name H4') (resid 703 and name H5) 5.0 3.2 2.0 ! 180msdata.663 assign (resid 702 and name H5'') (resid 702 and name H5) 5.0 3.2 2.0 ! 180msdata.673 assign (resid 702 and name H5'') (resid 702 and name H6) 4.0 2.2 0.1 ! 180msdata.673 assign (resid 702 and name H5') (resid 702 and name H6) 5.0 3.2 0.5 ! 180msdata.673 assign (resid 702 and name H5'') (resid 703 and name H6) 5.0 3.2 2.0 ! 180msdata.673 assign (resid 702 and name H41) (resid 703 and name H3) 6.0 4.2 1.0 ! test.88 assign (resid 702 and name H4#) (resid 702 and name H6) 4.5 2.7 1.0! 25noes.18 assign (resid 702 and name H4#) (resid 703 and name H3) 6.0 4.2 1.0 ! 25noes.7 assign (resid 702 and name H6) (resid 703 and name H5) 5.0 3.2 2.0 ! 180msdata.661 assign (resid 702 and name H6) (resid 703 and name H6) 5.0 3.2 2.0 ! 180msdata.661 !703 assign (resid 703 and name H1') (resid 703 and name H3') 4.0 2.2 0.1 ! 90msdata.518 assign (resid 703 and name H1') (resid 703 and name H5') 5.0 3.2 0.5 ! 90msdata.518 assign (resid 703 and name H1') (resid 703 and name H5'') 5.0 3.2 0.5 ! 90msdata.518 assign (resid 703 and name H1') (resid 703 and name H3) 4.5 2.7 1.0 ! 25noes.5 assign (resid 703 and name H1') (resid 703 and name H5) 5.0 3.2 2.0 ! 180msdata.680 assign (resid 703 and name H1') (resid 703 and name H6) 4.0 2.2 0.1 ! 180msdata.680 assign (resid 703 and name H2') (resid 703 and name H6) 4.0 2.2 0.1 ! 90msdata.426 assign (resid 703 and name H2') (resid 704 and name H6) 3.0 1.2 0.0 ! 90msdata.427 assign (resid 703 and name H3') (resid 703 and name H5) 5.0 3.2 2.0 ! 90msdata.519 assign (resid 703 and name H3') (resid 703 and name H6) 4.0 2.2 0.1 ! 180msdata.662 assign (resid 703 and name H3') (resid 704 and name H6) 3.0 1.2 0.0 ! 90msdata.517 assign (resid 703 and name H4') (resid 703 and name H5'') 3.0 1.2 0.0 ! 90msdata.353 assign (resid 703 and name H4') (resid 703 and name H6) 5.0 3.2 0.5 ! 90msdata.34 assign (resid 703 and name H5') (resid 703 and name H6) 5.0 3.2 0.5 ! 90msdata.613 assign (resid 703 and name H5'') (resid 703 and name H6) 5.0 3.2 0.5 ! 90msdata.613 assign (resid 703 and name H5) (resid 704 and name H5) 5.0 3.2 0.5 ! 90msdata.171 assign (resid 703 and name H3) (resid 703 and name H6) 6.0 4.2 1.0 ! test.107 assign (resid 703 and name H3) (resid 704 and name H4#) 4.5 2.7 1.0 ! test.78 assign (resid 703 and name H5) (resid 704 and name H4#) 6.0 4.2 1.0 ! 25noes.29 assign (resid 703 and name H6) (resid 704 and name H5) 5.0 3.2 2.0 ! 180msdata.637 !704 assign (resid 704 and name H1') (resid 704 and name H3') 4.0 2.2 0.1 ! 90msdata.507 assign (resid 704 and name H1') (resid 704 and name H5') 5.0 3.2 0.5 ! 90msdata.507 assign (resid 704 and name H1') (resid 704 and name H5'') 5.0 3.2 0.5 ! 90msdata.507 assign (resid 704 and name H1') (resid 704 and name H6) 4.0 2.2 0.1 ! 90msdata.507 assign (resid 704 and name H1') (resid 705 and name H8) 5.0 3.2 0.5 ! 90msdata.126 assign (resid 704 and name H2') (resid 704 and name H6) 4.0 2.2 0.1 ! 90msdata.59 assign (resid 704 and name H2') (resid 705 and name H1') 5.0 3.2 0.5 ! Noesylist.225 !assign (resid 704 and name H2') (resid 705 and name H5'') 4.0 2.2 0.1 ! 90msdata.438 assign (resid 704 and name H2') (resid 705 and name H8) 3.0 1.2 0.0 ! 90msdata.129 assign (resid 704 and name H3') (resid 704 and name H5) 5.0 3.2 2.0 ! 90msdata.172 assign (resid 704 and name H3') (resid 704 and name H6) 4.0 2.2 0.1 ! 90msdata.172 assign (resid 704 and name H3') (resid 705 and name H8) 3.0 1.2 0.0 ! 90msdata.128 assign (resid 704 and name H4') (resid 704 and name H6) 5.0 3.2 0.5 ! 90msdata.338 assign (resid 704 and name H5'') (resid 704 and name H5) 5.0 3.2 2.0 ! 180msdata.670 assign (resid 704 and name H5'') (resid 704 and name H6) 4.0 2.2 0.1 ! 180msdata.670 assign (resid 704 and name H5') (resid 704 and name H6) 5.0 3.2 0.5 ! 180msdata.670 assign (resid 704 and name H41) (resid 705 and name H1) 6.0 4.2 1.0 ! test.91 assign (resid 704 and name H4#) (resid 704 and name H6) 4.5 2.7 1.0 ! 25noes.14 !assign (resid 704 and name H4#) (resid 705 and name H8) 6.0 4.2 1.0 ! 25noes.16 assign (resid 704 and name H5) (resid 704 and name H6) 3.0 1.2 0.0 ! 90msdata.56 assign (resid 704 and name H6) (resid 705 and name H8) 5.0 3.2 0.5 ! 25noes.16 !705 assign (resid 705 and name H1') (resid 705 and name H3') 4.0 2.2 0.1 ! 90msdata.494 assign (resid 705 and name H1') (resid 705 and name H5') 5.0 3.2 0.5 ! 90msdata.494 assign (resid 705 and name H1') (resid 705 and name H5'') 5.0 3.2 0.5 ! 90msdata.494 assign (resid 705 and name H1') (resid 705 and name H8) 4.0 2.2 0.1 ! 90msdata.494 assign (resid 705 and name H2') (resid 705 and name H8) 4.0 2.2 0.1 ! 90msdata.130 !assign (resid 705 and name H2') (resid 706 and name H3') 5.0 3.2 0.5 ! Noesylist.524 !assign (resid 705 and name H2') (resid 706 and name H4') 5.0 3.2 0.5 ! Noesylist.321 assign (resid 705 and name H2') (resid 706 and name H5) 5.0 3.2 0.5 ! Noesylist.184 assign (resid 705 and name H2') (resid 706 and name H5) 5.0 3.2 0.5 ! 180msdata.748 assign (resid 705 and name H2') (resid 706 and name H6) 4.0 2.2 0.1 ! Noesylist.70 assign (resid 705 and name H3') (resid 705 and name H5'') 4.0 2.2 0.1 ! 90msdata.495 assign (resid 705 and name H3') (resid 705 and name H8) 4.0 2.2 0.1 ! 90msdata.487 assign (resid 705 and name H3') (resid 706 and name H5) 5.0 3.2 0.5 ! Noesylist.183 assign (resid 705 and name H3') (resid 706 and name H6) 3.0 1.2 0.0 ! 90msdata.69 assign (resid 705 and name H4') (resid 705 and name H8) 5.0 3.2 0.5 ! 90msdata.341 assign (resid 705 and name H4') (resid 706 and name H6) 5.0 3.2 0.5 ! 90msdata.341 assign (resid 705 and name H5') (resid 705 and name H8) 5.0 3.2 0.5 ! 90msdata.341 assign (resid 705 and name H5'') (resid 705 and name H8) 4.0 2.2 0.1 ! 90msdata.341 assign (resid 705 and name H1) (resid 705 and name H2#) 4.5 2.7 1.0 ! test.2 assign (resid 705 and name H1) (resid 706 and name H1') 6.0 4.2 1.0 ! 25noes.44 assign (resid 705 and name H1) (resid 706 and name H42) 6.0 4.2 1.0 ! test.93 assign (resid 705 and name H1) (resid 706 and name H41) 6.0 4.2 1.0 ! test.94 assign (resid 705 and name H8) (resid 706 and name H5) 5.0 3.2 2.0 ! 90msdata.179 assign (resid 705 and name H8) (resid 706 and name H6) 5.0 3.2 2.0 ! 90msdata.179 !706 assign (resid 706 and name H1') (resid 706 and name H3') 4.0 2.2 0.1 ! 90msdata.522 assign (resid 706 and name H1') (resid 706 and name H5') 5.0 3.2 0.5 ! 90msdata.522 assign (resid 706 and name H1') (resid 706 and name H5'') 5.0 3.2 0.5 ! 90msdata.522 assign (resid 706 and name H1') (resid 706 and name H5) 5.0 3.2 2.0 ! 90msdata.181 assign (resid 706 and name H1') (resid 706 and name H6) 4.0 2.2 0.1 ! 90msdata.181 assign (resid 706 and name H2') (resid 706 and name H3') 3.0 1.2 0.0 ! 90msdata.525 assign (resid 706 and name H2') (resid 706 and name H5') 5.0 3.2 0.5 ! Noesylist.359 assign (resid 706 and name H2') (resid 706 and name H5) 5.0 3.2 0.5 ! 90msdata.186 assign (resid 706 and name H2') (resid 706 and name H6) 4.0 2.2 0.1 ! 90msdata.72 assign (resid 706 and name H3') (resid 706 and name H5) 5.0 3.2 2.0 ! 90msdata.185 assign (resid 706 and name H3') (resid 706 and name H6) 4.0 2.2 0.1 ! 90msdata.185 assign (resid 706 and name H4') (resid 706 and name H5') 5.0 3.2 0.5 ! Noesylist.320 assign (resid 706 and name H4') (resid 706 and name H5'') 5.0 3.2 0.5 ! Noesylist.322 assign (resid 706 and name H4') (resid 706 and name H6) 4.0 2.2 0.1 ! Noesylist.318 assign (resid 706 and name H5') (resid 706 and name H6) 5.0 3.2 0.5 ! Noesylist.318 assign (resid 706 and name H5'') (resid 706 and name H6) 5.0 3.2 0.5 ! Noesylist.318 assign (resid 706 and name H6) (resid 706 and name H4#) 4.5 2.7 1.0! 25noes.17
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