NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
511019 2ktl 16832 cing 1-original 3 XPLOR/CNS distance NOE simple


#long_noe

{ Distances were derived from NOE cross peaks as follows:

  When possble, NOE cross peak intensities are estimated
  using NOE spectra collected with 60 msec mixing time. When
  the same NOE was observed in multiple spectra, priority is
  given to the shorter mixing time NOE spectra.

  From 60 msec mixing time spectra:

  strong peak  :  d < 3.00 A  
  medium peak  :  d < 3.60 A 
  weak peak    :  d < 4.00 A
  v. weak peak :  d < 4.50 A 

  From 120 ms 3-D N15 NOE spectrum and 3-D C13 NOE spectrum:

  strong peak  :  d < 3.80 A 
  medium peak  :  d < 4.50 A 
  weak peak    :  d < 5.50 A 
  v. weak peak :  d < 6.00 A 

  For peaks observed in the homonuclear NOE spectra collected 
  with longer mixing time, but not observed in the short mixing
  time NOE spectra:

  strong peak  :  d < 4.00 A 
  medium peak  :  d < 5.50 A 
  weak peak    :  d < 6.00 A  

  For NOEs from ambiguous val/leu methyl pairs :  add 2.4 A and measure from center of 6H's
  For NOEs from single methyls :  add 1.0 A and measure from center of 3H's
  For NOEs from ambiguous methylene groups:  add 0.7 A and measure from center of 2H's
  For NOEs from phe/tyr delta H's:  add 2.4 A and measure from center of 2H's
  For NOEs from phe/tyr epsilon H's:  add 2.4 A and measure from center of 2H's

************ Begin NOE list here **********  }

{H26 118.7N, 8.294HN, 4.638, 3.24 3.10}

{Q29 121.3N, 8.508HN 4.353, 2.004, 2.142, 2.38}
{N31 121.8N, 8.32HN, 4.679, 2.75, 2.68}

{F32 121.6N, 8.232HN, 4.52, 2.97 3.17}
{0.89} assign (resid 485 and name hb*) (resid 585 and name hd**) 7.50 7.50 0.0

{A38 125.6N, 8.098HN, 4.6552 ha, 1.552 hb}

{R39 120.2N 8.098HN, 5.283ha, ?hb}
{{7.54} assign (resid 492 and name hd*) (resid 604 and name hz2) 10.50 10.50 0.0
{7.23} assign (resid 492 and name hd*) (resid 604 and name hh2) 10.50 10.50 0.0
{7.621} assign (resid 492 and name hd*) (resid 604 and name he3) 10.50 10.50 0.0
{6.96} assign (resid 492 and name hd*) (resid 604 and name hd1) 10.50 10.50 0.0
{0.82} assign (resid 492 and name ha) (resid 514 and name hd**) 7.50 7.50 0.0}

{V40 122.5N, 8.569 hn, 4.56ha, 1.07hg1, 0.942 hg2}
{4.08} assign (resid 493 and name hg**) (resid 512 and name ha) 8.00 8.00 0.00
{9.08} assign (resid 493 and name hg**) (resid 587 and name hn) 7.00 7.00 0.0
{9.41} assign (resid 493 and name hg**) (resid 586 and name hn) 8.50 8.50 0.0
{2.81} assign (resid 493 and name hn) (resid 584 and name he*) 7.00 7.00 0.0

{L305}

{T41 125.4N, 8.31HN, 5.322ha, 3.887hb, 1.08hg}
{K44 122.3N, 8.128hn, 3.58, 1.67, 1.03/1.15, 1.36, 2.2, 2.36}
{9.07} assign (resid 497 and name hn) (resid 591 and name hn) 6.00 6.00 0.0
{8.62} assign (resid 497 and name hn) (resid 589 and name hn) 6.00 6.00 0.0
{4.9} assign (resid 497 and name hn) (resid 589 and name ha) 6.00 6.00 0.0
{8.71} assign (resid 497 and name hn) (resid 588 and name hn) 6.00 6.00 0.0

{4.883} assign (resid 497 and name hb*) (resid 589 and name ha) 7.00 7.00 0.00
{4.24} assign (resid 497 and name hb*) (resid 590 and name ha) 7.00 7.00 0.0
{9.097} assign (resid 497 and name hb*) (resid 591 and name hn) 7.00 7.00 0.0 
{9.07} assign (resid 497 and name hd*) (resid 591 and name hn) 7.00 7.00 0.0
{4.24} assign (resid 497 and name hg*) (resid 590 and name ha) 7.00 7.00 0.0
{4.24} assign (resid 497 and name hd*) (resid 590 and name ha) 6.00 6.00 0.0

{S45 114N, 9.617HN, 4.46, 4.03}
{4.883} assign (resid 498 and name hn) (resid 589 and name ha) 6.00 6.00 0.0
{9.097} assign (resid 498 and name hn) (resid 591 and name hn) 6.00 6.00 0.0
{2.78, 2.92} assign (resid 498 and name hn) (resid 591 and name hb*) 7.00 7.00 0.0

{D49 116.9N, 9.335HN, 3.946, 2.906,2.728}

{V47 117.1N, 7.59HN, 3.75, 1.713, 0.657}
{5.78} assign  (resid 501 and name he*) (resid 564 and name hg1) 8.00 8.00 0.0
{5.78} assign (resid 501 and name hd*) (resid 564 and name hg1)  8.00 8.00 0.0


{D49 116.9N, 9.335HN, 3.946, 2.906,2.728}
{8.502} assign (resid 502 and name hn) (resid 565 and name hn) 6.50 6.50 0.0
{0.58} assign (resid 502 and name hn) (resid 564 and name hg2*) 7.00 7.00 0.0
{4.17} assign (resid 502 and name hn) (resid 564 and name hb) 7.00 7.00 0.0

{K50 117.4N, 7.354HN, 4.831, 3.727, 1.645, 0.5051}
{4.166} assign (resid 503 and name hn) (resid 564 and name hb) 7.50 7.50 0.0
{0.589} assign (resid 503 and name hn) (resid 564 and name hg2*) 7.50 7.50 0.0
{4.424} assign (resid 503 and name hn) (resid 564 and name ha) 6.50 6.50 0.0

{T51 111.8N, 7.78HN, 4.332, 3.88}
{7.01} assign (resid 504 and name hn) (resid 531 and name hz*) 8.00 8.00 0.0
{5.78} assign (resid 504 and name ha) (resid 554 and name hg1) 7.50 7.50 0.0
{1.3} assign (resid 504 and name hn) (resid 564 and name hb*) 7.00 7.00 0.0


{F315}
{0.6} assign (resid 505 and name hb*) (resid 556 and name hb) 7.00 7.00 0.0
{0.48} assign (resid 505 and name hb*) (resid 556 and name hg1*) 7.50 7.50 0.0
{0.17} assign (resid 505 and name hb*) (resid 556 and name hg2*) 7.50 7.50 0.0

{S53 115.8N, 8.68HN, 4.72 3.66}
{8.15} assign (resid 506 and name hn) (resid 522 and name hn) 6.00 6.00 0.0
{0.6} assign (resid 506 and name hn) (resid 525 and name hg1*) 7.50 7.50 0.0

{K54 120.4N, 6.878HN, 4.271, 2.5, 2.081}
{0.59} assign (resid 507 and name hn) (resid 525 and name hg1*) 8.00 8.00 0.0

{V55 120.8N, 7.96HN, 4.613}
{9.07} assign (resid 508 and name hg**) (resid 587 and name hn) 8.50 8.50 0.0
{4.768} assign (resid 508 and name hg**) (resid 586 and name ha) 8.00 8.00 0.0
{4.08} assign (resid 508 and name hg**) (resid 512 and name ha) 8.50 8.50 0.0

{L56 117.5N, 7.6HN,4.73}

{{7.39} assign (resid 509 and name hn) (resid 517 and name hn) 6.00 6.00 0.0}

{1.674,1.219} assign (resid 509 and name hg) (resid 576 and name hb*) 7.50 7.50 0.0
{7.39} assign (resid 509 and name hg) (resid 517 and name hn) 6.00 6.00 0.0
{0.5} assign (resid 509 and name hg) (resid 525 and name hg2*) 8.50 8.50 0.0

{0.5} assign (resid 509 and name hd**) (resid 525 and name hg2*) 8.50 8.50 0.0
{1.674,1.219} assign (resid 509 and name hd**) (resid 576 and name hb*) 7.50 7.50 0.0
{7.774} assign (resid 509 and name hd**) (resid 525 and name hn) 7.50 7.50 0.0
{8.114} assign (resid 509 and name hd**) (resid 524 and name hn) 7.50 7.50 0.0

{W57 121.3N, 7.132HN, 4.575}

{unassigned 320 hn, hb* med:-7.774} 
{0.86} assign (resid 510 and name hn) (resid 525 and name hd1*) 7.50 7.50 0.0

{S58 121N, 9.459HN, 47? 3.863}
{1.09, 0.95} assign (resid 512 and name ha) (resid 493 and name hg**) 6.50 6.50 0.0

{A59 118.4N, 8.655HN 4.06, 1.25}
{unassigned 7.774} 
{1.09, 0.95} assign (resid 512 and name ha) (resid 493 and name hg**) 5.50 5.50 0.0

{G60 105.5N, 7.903HN 4.12}
{1.06,0.92} assign (resid 513 and name hn) (resid 493 and name hg**) 8.50 8.50 0.0
{2.805} assign (resid 513 and name hn) (resid 584 and name he*) 7.50 7.50 0.0


{L61 118.8N, 8.15HN, 4.283, 1.8, 0.8}
{1.66,0.94} assign (resid 514 and name hn) (resid 578 and name hd**) 8.00 8.00 0.0

{1.66,0.94} assign (resid 514 and name hb*) (resid 578 and name hd**) 8.00 8.00 0.0

{8.569} assign (resid 514 and name hd**) (resid 493 and name hn) 7.50 7.50 0.0
{5.322} assign (resid 514 and name hd**) (resid 583 and name ha) 7.00 7.00 0.0
{9.13} assign (resid 514 and name hd**) (resid 584 and name hn) 6.50 6.50 0.0
{8.84} assign (resid 514 and name hd**) (resid 585 and name hn) 6.50 6.50 0.0
{5.283} assign (resid 514 and name hd**) (resid 492 and name ha) 7.50 7.50 0.0
{2.8} assign (resid 514 and name hd**) (resid 584 and name he*) 8.00 8.00 0.0


{V62 107.2N, 7.08HN 4.67,2.25,0.71,0.84}
{1.666,0.94} assign (resid 515 and name hn) (resid 578 and name hd**) 7.50 7.50 0.0
{7.785} assign (resid 515 and name hg**) (resid 581 and name hz3) 10.50 10.50 0.00
{2.07} assign (resid 515 and name hg**) (resid 520 and name hb*) 9.50 9.50 0.00

{A63 123N, 8.923HN, 4.39, 1.547}

{S64 107.7N, 7.39HN, 4.243}
{4.575} assign (resid 517 and name hn) (resid 510 and name ha) 6.00 6.00 0.0
{6.96} assign (resid 517 and name ha) (resid 510 and name hd1) 8.00 8.00 0.0
{10.02} assign (resid 517 and name ha) (resid 510 and name he1) 8.00 8.00 0.0

{S66 115.7N, 8.082HN, 4.1, 3.82 }

{S66 115.7N, 8.082HN, 4.1, 3.82 }

{E67 125.3N, 7.95HN, 4.12, 2.095}


{G68 106.6N, 8.057HN, 4.71}
{3.848,2.76} assign (resid 521 and name hn) (resid 510 and name hb*) 6.50 6.50 0.0


{Q69 121.2N, 8.152HN, 3.85}
{{8.683} assign (resid 522 and name hn) (resid 506 and name hn) 6.00 6.00 0.0}


{I71 120N, 8.114HN, 3.77, 1.87, 1.58, 1.29, 0.83 }
{0.78} assign (resid 524 and name hn) (resid 580 and name hd*) 6.50 6.50 0.0

{0.78} assign (resid 524 and name hb*) (resid 580 and name hd*)  6.50 6.50 0.0
{1.09} assign (resid 524 and name hb*) (resid 530 and name hb*) 6.50 6.50 0.0

{5.01} assign (resid 524 and name hg2*) (resid 578 and name ha) 6.00 6.00 0.0
{5.21} assign (resid 524 and name hg2*) (resid 530 and name ha) 6.00 6.00 0.0

{1.666,0.94} assign (resid 524 and name hg1*) (resid 578 and name hd**) 7.00 7.00 0.0

{I72 123.8N, 7.74HN, 3.802, 1.836,0.81}
{1.09} assign (resid 525 and name hn) (resid 530 and name hb*) 6.00 6.00 0.0

{10.02} assign (resid 525 and name hb) (resid 510 and name he1) 9.00 9.00 0.00
{6.96} assign (resid 525 and name hb) (resid 510 and name hd1) 8.00 8.00 0.00
{3.66} assign (resid 525 and name hb) (resid 506 and name hb*) 7.00 7.00 0.00
{4.15} assign (resid 525 and name hb) (resid 558 and name hb) 6.00 6.00 0.00

{4.158} assign (resid 525 and name hg2*) (resid 558 and name hb) 7.00 7.00 0.00
{4.25} assign (resid 525 and name hg2*) (resid 557 and name ha) 6.00 6.00 0.00
{1.09} assign (resid 525 and name hg2*) (resid 530 and name hb*) 7.00 7.00 0.00
{1.666,0.94} assign (resid 525 and name hg2*) (resid 578 and name hd**) 7.00 7.00 0.00
{0.17} assign (resid 525 and name hg2*) (resid 556 and name hd1*) 7.50 7.50 0.00
{3.29} assign (resid 525 and name hg2*) (resid 556 and name ha) 7.50 7.50 0.00
{4.13} assign (resid 525 and name hg2*) (resid 554 and name hb) 8.50 8.50 0.00
{1.35} assign (resid 525 and name hg2*) (resid 557 and name hb*) 8.50 8.50 0.00

{4.158} assign (resid 525 and name hg1*) (resid 558 and name hb) 7.00 7.00 0.00
{1.666,0.94} assign (resid 525 and name hg1*) (resid 578 and name hd**) 8.40 8.40 0.00
{3.66} assign (resid 525 and name hg1*) (resid 506 and name hb*) 7.00 7.00 0.00
{10.02} assign (resid 525 and name hg1*) (resid 510 and name he1) 8.40 8.40 0.00
{7.132} assign (resid 525 and name hg1*) (resid 510 and name hn) 8.50 8.50 0.00
{6.88} assign (resid 525 and name hg1*) (resid 507 and name hn) 7.50 7.50 0.0

{1.09} assign (resid 525 and name hd1*) (resid 530 and name hb*) 6.50 6.50 0.0
{0.96} assign (resid 525 and name hd1*) (resid 556 and name hb) 6.50 6.50 0.00
{4.158} assign (resid 525 and name hd1*) (resid 520 and name ha) 8.50 8.50 0.00
{3.66} assign (resid 525 and name hd1*) (resid 506 and name hb*) 7.50 7.50 0.00
{3.45} assign (resid 525 and name hd1*) (resid 523 and name hn) 7.50 7.50 0.0


{N73 121.5N, 8.5HN, 4.378, .2812,2.937}
{0.78} assign (resid 526 and name hn) (resid 523 and name hd1*) 7.50 7.50 0.0

{1.35} assign (resid 529 and name ha*) (resid 580 and name hg*) 6.50 6.50 0.0

{A77 122.2N, 7.563HN, 5.19, 1.09}
{4.17} assign (resid 530 and name hn) (resid 555 and name ha) 6.00 6.00 0.0

{Y78 120N, 9.384HN, 5.18, 2.607,2.889}

{3.29} assign (resid 531 and name hn) (resid 556 and name ha) 6.00 6.00 0.0
{8.013} assign (resid 531 and name hn) (resid 556 and name hn) 6.00 6.00 0.0
{4.162} assign (resid 531 and name hn) (resid 554 and name hb) 6.00 6.00 0.0
{8.324} assign (resid 531 and name hn) (resid 579 and name hn) 6.00 6.00 0.0
{8.013} assign (resid 531 and name ha) (resid 556 and name hn) 6.00 6.00 0.0

{7.71} assign (resid 531 and name hd*) (resid 553 and name hz*) 8.00 8.00 0.0
{7.71} assign (resid 531 and name he*) (resid 553 and name hz*) 8.00 8.00 0.0
{7.71} assign (resid 531 and name hz) (resid 553 and name hz*) 8.00 8.00 0.0

{5.074} assign (resid 531 and name hd*) (resid 554 and name ha) 8.00 8.00 0.0
{5.074} assign (resid 531 and name he*) (resid 554 and name ha) 8.00 8.00 0.0
{5.074} assign (resid 531 and name hz) (resid 554 and name ha) 8.00 8.00 0.0

{4.493} assign (resid 531 and name hd*) (resid 552 and name ha) 8.00 8.00 0.0
{4.493} assign (resid 531 and name he*) (resid 552 and name ha) 8.00 8.00 0.0
{4.493} assign (resid 531 and name hz) (resid 552 and name ha) 8.00 8.00 0.0

{1.268,1} assign (resid 531 and name hd*) (resid 577 and name hb*) 8.00 8.00 0.0
{1.268,1} assign (resid 531 and name he*) (resid 577 and name hb*) 8.00 8.00 0.0
{1.268,1} assign (resid 531 and name hz) (resid 577 and name hb*) 8.00 8.00 0.0
{5.01} assign (resid 531 and name hd*) (resid 578 and name ha) 8.00 8.00 0.0
{5.109} assign (resid 531 and name hd*) (resid 577 and name ha) 8.00 8.00 0.0
{4.009} assign (resid 531 and name hd*) (resid 552 and name hb) 9.00 8.00 0.0
{4.13} assign (resid 531 and name hd*) (resid 554 and name hb) 9.00 8.00 0.0
{.106} assign (resid 531 and name hd*) (resid 577 and name hg*) 8.00 8.00 0.0
{0.54,0.32} assign (resid 531 and name hd*) (resid 577 and name he*) 8.00 8.00 0.0
{0.718,0.61} assign (resid 531 and name hd*) (resid 551 and name hd**) 8.00 8.00 0.0

{V79 119.9N, 9.097HN, 5.18, 1.385,1.13, 0.29}

{3.29} assign (resid 532 and name hn) (resid 556 and name ha) 6.00 6.00 0.0
{0.46} assign (resid 532 and name hn) (resid 556 and name hg2*) 7.50 7.50 0.0
{0.17} assign (resid 532 and name hn) (resid 556 and name hd1*) 7.50 7.50 0.0
{4.17} assign (resid 532 and name hn) (resid 555 and name ha) 6.00 6.00 0.0

{0.17} assign (resid 532 and name hb) (resid 556 and name hd1*) 7.00 7.00 0.00
{0.46} assign (resid 532 and name hb) (resid 556 and name hg2*) 7.50 7.50 0.00

{S81 116.7N, 8.79HN, 4.74, 3.85,3.75}
{0.78} assign (resid 534 and name hn) (resid 573 and name hd**) 7.50 7.50 0.0

{0.78} assign (resid 534 and name hb*) (resid 573 and name hd**) 7.00 7.00 0.0


{V85 119.5N, 7.884HN, 4.13, 2.09, 0.92}

{E89 122.6N, 8.102HN, 4.635, 1.89,2.275}

{D97 120.2N, 8.082HN, 4.582 2.64}
{2.34} assign (resid 549 and name hn) (resid 566 and name hg*) 7.00 7.00 0.0
{3.855,3.752} assign (resid 549 and name hn) (resid 534 and name hb*) 6.50 6.50 0.0

{D97 120.2N, 8.082HN, 4.582 2.64}

{L98 121N, 7.652HN, 4.496, 1.423, 1.115}
{3.855,3.752} assign (resid 551 and name hn) (resid 534 and name hb*) 6.00 6.00 0.0


{T99 121.5N, 8.53HN, 4.493, 4.009}
{1.647,1.911} assign (resid 552 and name hn) (resid 535 and name hb*) 7.00 7.00 0.0
{4.42,2.76} assign (resid 552 and name hn) (resid 533 and name ha*) 7.00 7.00 0.0
{4.89} assign (resid 552 and name hn) (resid 535 and name ha) 6.00 6.00 0.0
{3.75} assign (resid 552 and name hn) (resid 534 and name hb*) 6.50 6.50 0.0
{8.739} assign (resid 552 and name hn) (resid 534 and name hn) 4.50 4.50 0.0

{2.25} assign (resid 552 and name hg2*) (resid 563 and name he*) 7.50 7.50 0.0
{3.855,3.752} assign (resid 552 and name hg2*) (resid 534 and name hb*) 7.50 7.50 0.0

{3.75} assign (resid 552 and name ha) (resid 534 and name hb*) 6.50 6.50 0.0

{F100 121.9N, 8.74HN, 5.106, 2.628}
{0.85,0.94} assign (resid 553 and name hd*) (resid 577 and name hd*) 8.00 8.00 0.0
{0.85,0.94} assign (resid 553 and name he*) (resid 577 and name hd*) 8.00 8.00 0.0
{0.85,0.94} assign (resid 553 and name hz*) (resid 577 and name hd*) 8.00 8.00 0.0

{T101 121.7N, 9.02 5.074, 4.13}
{7.58} assign (resid 554 and name ha) (resid 559 and name hz2) 7.50 7.50 0.0
{6.55} assign (resid 554 and name hg2*) (resid 531 and name hd*) 8.50 8.50 0.0

{P365}
{6.58} assign (resid 555 and name hb*) (resid 531 and name hd*) 7.50 7.50 0.0


{I103}
{1.39} assign (resid 556 and name hd1*) (resid 532 and name hb) 7.00 7.00 0.0
{1.13,0.28} assign (resid 556 and name hd1*) (resid 532 and name hg**) 7.00 7.00 0.0

{K104 121.8HN, 8.324HN, 4.705}

{T105 116.1N, 7.815HN 4.15 1.18}

{W106 126.1N, 7.55HN, 5.071 3.41, 3.36}

{N107 121.1N, 9.005Hn 4.71}

{A108 129.1N, 9.121HN, 4.71, 1.29}
{3.946} assign (resid 561 and name hn) (resid 502 and name ha) 6.00 6.00 0.0
{1.46} assign (resid 561 and name hn) (resid 503 and name hg*) 7.00 7.00 0.0

{7.785} assign (resid 561 and name hb*) (resid 504 and name hn) 7.00 7.00 0.00
{4.831} assign (resid 561 and name hb*) (resid 503 and name ha) 7.00 7.00 0.00
{9.335} assign (resid 561 and name hb*) (resid 502 and name hn) 7.00 7.00 0.00
{3.946} assign (resid 561 and name hb*) (resid 502 and name ha) 7.00 7.00 0.0
{7.333} assign (resid 561 and name hb*) (resid 503 and name hn) 7.00 7.00 0.00

{S109 110.9N, 8.27HN, 4.424 3.882}

{K110 121.2N, 7.702HN, 4.013, 1.762, 1.2,1.343}

{T111 118.4N, 7.655HN, 4.166, 3.75, 0.589}
{7.34} assign (resid 564 and name ha) (resid 503 and name hn) 6.00 6.00 0.0
{5.78} assign (resid 564 and name hg1) (resid 501 and name he*) 8.00 8.00 0.0
{5.78} assign (resid 564 and name hg1) (resid 501 and name hd*) 8.00 8.00 0.0



{Q112 114.5N, 8.502HN, 4.341, 3.898, 3.707}
{5.718} assign (resid 565 and name hn) (resid 564 and name hg) 6.00 6.00 0.0
{9.32} assign (resid 565 and name hn) (resid 502 and name hn) 6.00 6.00 0.0
{1.09} assign (resid 565 and name hn) (resid 568 and name hg2*) 8.00 8.00 0.0
{7.14} assign (resid 565 and name hn) (resid 501 and name hd*) 8.50 8.50 0.0
{6.76} assign (resid 565 and name hn) (resid 501 and name he*) 8.50 8.50 0.0

{E113 122.2N, 7.924HN, 3.92, 1.72}
{8.34} assign (resid 566 and name hg*) (resid 549 and name hn) 7.00 7.00 0.0

{F114 116.1N, 4.438Hn, 3.167, 2.96}
{0.87?,0.87} 

{1.13,0.28} assign (resid 567 and name hd*) (resid 532 and name hg**) 8.00 8.00 0.0
{1.13,0.28} assign (resid 567 and name he*) (resid 532 and name hg**) 8.00 8.00 0.0
{1.13,0.28} assign (resid 567 and name hz*) (resid 532 and name hg**) 8.00 8.00 0.0

{1.385} assign (resid 567 and name hd*) (resid 532 and name hb) 8.50 8.50 0.0
{1.385} assign (resid 567 and name he*) (resid 532 and name hb) 8.50 8.50 0.0
{1.385} assign (resid 567 and name hz*) (resid 532 and name hb) 8.50 8.50 0.0

{I115 122N, 6.95HN, 4.14, 1.697, 0.80}
{4.747} assign (resid 568 and name hd1*) (resid 534 and name ha) 7.00 7.00 0.0
{8.521} assign (resid 568 and name hd1*) (resid 535 and name hn) 7.00 7.00 0.0
{8.789} assign (resid 568 and name hd1*) (resid 534 and name hn) 7.50 7.50 0.0
{7.56} assign (resid 568 and name ha) (resid 565 and name he*) 6.50 6.50 0.0
{7.84} assign (resid 568 and name ha) (resid 573 and name hn) 6.00 6.00 0.0

{I116 132.5N, 10.02HN, 4.34, 1.826, 0.96}
{4.91} assign (resid 569 and name hn) (resid 574 and name ha) 6.00 6.00 0.0
{3.19} assign (resid 569 and name hg1*) (resid 535 and name hd*) 8.50 8.50 0.0
{1.64} assign (resid 569 and name hg1*) (resid 535 and name hb*) 8.50 8.50 0.0

{D117 123.2N, 8.86HN, 4.328, 2.815, 2.994}

{G381}


{L120 121.4N, 7.834HN, 5.718, 1.707, 1.625, 1.54}
{4.467} assign (resid 573 and name hn) (resid 533 and name ha) 6.00 6.00 0.0
{4.152} assign (resid 573 and name hn) (resid 568 and name ha) 6.00 6.00 0.0

{G118 106.3N, 8.466HN, 4.3, 3.58}


{I122 127.5N, 9.448HN, 4.853, 1.626, 1.012}

{L386}
{3.7} assign (resid 576 and name hd**) (resid 525 and name ha) 7.50 7.50 0.0

{K387}
{6.55} assign (resid 577 and name hg*) (resid 531 and name hd*) 7.50 7.50 0.0
{6.55} assign (resid 577 and name hd*) (resid 531 and name hd*) 8.50 8.50 0.0

{6.89} assign (resid 577 and name hd*) (resid 553 and name hd*) 8.50 8.50 0.0
{7.07} assign (resid 577 and name hd*) (resid 553 and name he*) 8.50 8.50 0.0
{7.71} assign (resid 577 and name hd*) (resid 553 and name hz*) 8.50 8.50 0.0

{L120 121.4N, 7.834HN, 5.718, 1.707, 1.625, 1.54}

{K124 121.9N, 8.79HN, 5.109, 1.268, 1.106, 0.855,0.939}

{L125 128.1N, 8.901HN, 5.01, 1.826, 1.468, 1.66}
{6.68,7.43} assign (resid 578 and name ha) (resid 527 and name hd*) 7.00 7.00 0.00
{7.03} assign (resid 578 and name hd**) (resid 515 and name hn) 7.50 7.50 0.0

{K131 122.6N 9.13N, 4.991, 1.501, 1.676,1.344}
{6.55} assign (resid 579 and name hn) (resid 531 and name hd*) 8.50 8.50 0.0

{K390}
{2.32} assign (resid 580 and name hd*) (resid 520 and name hg*) 8.50 8.50 0.0

{M393}
{3.893} assign (resid 583 and name hb*) (resid 490 and name hb*) 7.00 7.00 0.0
{4.568} assign (resid 583 and name hg*) (resid 490 and name ha) 6.50 6.50 0.0

{K131 122.6N 9.13N, 4.991, 1.501, 1.676,1.344}
{4.0} assign (resid 584 and name hg*) (resid 512 and name ha) 7.00 7.00 0.0
{2.22} assign (resid 584 and name hg*) (resid 515 and name hb) 7.00 7.00 0.0
{0.81} assign (resid 584 and name hg*) (resid 515 and name hg**) 7.00 7.00 0.0
{2.08} assign (resid 584 and name hg*) (resid 493 and name hb) 7.00 7.00 0.0
{0.91} assign (resid 584 and name hg*) (resid 493 and name hg**) 7.50 7.50 0.0

{2.08} assign (resid 584 and name he*) (resid 493 and name hb) 6.50 6.50 0.0
{1.06, 0.91} assign (resid 584 and name he*) (resid 493 and name hg**) 8.00 8.00 0.0
{8.57} assign (resid 584 and name he*) (resid 493 and name hn) 7.00 7.00 0.0
{4.62} assign (resid 584 and name he*) (resid 515 and name ha) 7.00 7.00 0.0
{4.28} assign (resid 584 and name he*) (resid 514 and name ha) 7.00 7.00 0.0
{4.06} assign (resid 584 and name he*) (resid 512 and name ha) 7.00 7.00 0.0
{8.15} assign (resid 584 and name he*) (resid 514 and name hn) 7.50 7.50 0.0

{L395}
{3.17} assign (resid 585 and name hd**) (resid 485 and name hb*) 7.50 7.50 0.0
{7.23} assign (resid 585 and name hd**) (resid 485 and name hd*) 7.50 7.50 0.0
{V396}

{I398}
{8.126} assign (resid 588 and name hn) (resid 497 and name hn) 6.00 6.00 0.0
{3.4,2.64} assign (resid 588 and name hn) (resid 572 and name hb*) 6.50 6.50 0.0


{L132 126.6N, 8.84HN, 4.678, 1.639, 1.526}
{1.09, 1.4?} assign (resid 589 and name hn) (resid 497 and name hg*) 7.00 7.00 0.0
{8.96} assign (resid 589 and name hn) (resid 495 and name hn) 6.00 6.00 0.0
{3.54} assign (resid 589 and name hn) (resid 497 and name ha) 6.00 6.00 0.0
{9.62} assign (resid 589 and name hn) (resid 498 and name hn) 6.00 6.00 0.0
{5.34} assign (resid 589 and name hn) (resid 494 and name ha) 6.00 6.00 0.0
{1.36} assign (resid 589 and name hn) (resid 495 and name hg) 6.00 6.00 0.0
{8.13} assign (resid 589 and name hn) (resid 497 and name hn) 5.50 5.50 0.0
{2.64} assign (resid 589 and name hn) (resid 571 and name ha*) 7.00 7.00 0.0

{S400}
{1.65} assign (resid 590 and name ha) (resid 497 and name hb*) 7.00 7.00 0.0
{1.15} assign (resid 590 and name ha) (resid 497 and name hg*) 7.00 7.00 0.0
{1.37} assign (resid 590 and name ha) (resid 497 and name hd*) 7.00 7.00 0.0


{D401}
{7.212} assign (resid 591 and name hn) (resid 604 and name hh2) 7.50 7.50 0.0
{1.66} assign (resid 591 and name hn) (resid 497 and name hb*) 6.50 6.50 0.0
{8.13} assign (resid 591 and name hn) (resid 497 and name hn) 5.50 5.50 0.0
{9.62} assign (resid 591 and name hn) (resid 498 and name hn) 6.00 6.00 0.0

{E402}
{6.7} assign (resid 592 and name hn) (resid 604 and name hz3) 8.00 8.00 0.0
{7.21} assign (resid 592 and name hn) (resid 604 and name hh2) 7.50 7.50 0.0
{1.65} assign (resid 592 and name hn) (resid 497 and name hb*) 7.00 7.00 0.0

{K403}
{F404}
{{ambi noe}
{7.2} assign (resid 594 and name hd*) (resid 604 and name hh2) 4.00 4.00 0.0
{7.2} assign (resid 594 and name he*) (resid 604 and name hh2) 4.00 4.00 0.0
{7.2} assign (resid 594 and name he*) (resid 604 and name hh2) 4.00 4.00 0.0}

{K405}
{7.212} assign (resid 595 and name hn) (resid 604 and name hh2) 7.50 7.50 0.0
{6.7} assign (resid 595 and name hn) (resid 604 and name hz3) 7.50 7.50 0.0
{7.34} assign (resid 595 and name hn) (resid 604 and name hz2) 7.00 7.00 0.0

{10.3} assign (resid 595 and name ha) (resid 604 and name he1) 7.00 7.00 0.0
{7.35} assign (resid 595 and name ha) (resid 604 and name hz2) 7.00 7.00 0.0

{7.35} assign (resid 595 and name hb*) (resid 604 and name hh2) 7.00 7.00 0.0

{7.35} assign (resid 595 and name hg*) (resid 604 and name hh2) 7.00 7.00 0.0
{7.21} assign (resid 595 and name hg*) (resid 604 and name hz2) 7.00 7.00 0.0
{10.3} assign (resid 595 and name hg*) (resid 604 and name ne1) 7.00 7.00 0.0
{0.5} assign (resid 595 and name hg*) (resid 608 and name hg**) 7.00 7.00 0.0

{0.52} assign (resid 595 and name hd*) (resid 608 and name hg**) 7.00 7.00 0.0
{7.35} assign (resid 595 and name hd*) (resid 604 and name hh2) 8.00 8.00 0.0
{7.21} assign (resid 595 and name hd*) (resid 604 and name hz2) 8.00 8.00 0.0
{10.3} assign (resid 595 and name hd*) (resid 604 and name ne1) 8.00 8.00 0.0

{0.52} assign (resid 595 and name he*) (resid 608 and name hg**) 6.50 6.50 0.0
{7.35} assign (resid 595 and name he*) (resid 604 and name hh2) 7.00 7.00 0.0
{7.21} assign (resid 595 and name he*) (resid 604 and name hz2) 7.00 7.00 0.0
{10.3} assign (resid 595 and name he*) (resid 604 and name ne1) 8.00 8.00 0.0


{E406}

{L144 117.7N, 8.061HN, 4.1, 1.623, 1.321, 1.859}

{unassigned wk 407hn 4.914}  

{7.2} assign (resid 597 and name hd**) (resid 594 and name hd*) 5.00 5.00 0.0
{7.2} assign (resid 597 and name hd**) (resid 594 and name he*) 5.00 5.00 0.0
{7.2} assign (resid 597 and name hd**) (resid 594 and name hz*) 5.00 5.00 0.0

{ambi noe}
{{7.2} assign (resid 597 and name hd**) (resid 604 and name hh2) 6.00 6.00 0.0}

{Q69 121.2N, 8.152HN, 3.85}
{{W414 ambiguous noe's}
{7.2} assign (resid 604 and name hh2) (resid 594 and name hd*) 4.00 4.00 0.0
{7.2} assign (resid 604 and name hh2) (resid 594 and name he*) 4.00 4.00 0.0
{7.2} assign (resid 604 and name hh2) (resid 594 and name hz*) 4.00 4.00 0.0}

{D415}

{V154 120.9N, 7.53Hn, 3.75 1.86, 0.902, 0.82}
{3.07} assign (resid 607 and name hg**) (resid 595 and name he*) 6.50 6.50 0.0

{V418}
{2.18} assign (resid 608 and name hg**) (resid 595 and name hb*) 7.50 7.50 0.0
{3.07} assign (resid 608 and name hg**) (resid 595 and name he*) 7.50 7.50 0.0
{1.91} assign (resid 608 and name hg**) (resid 595 and name hg*) 7.50 7.50 0.0


#beta_noe



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