Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
278972 | 2khc RC | 16236 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | simple |
{ Distances were derived from NOE cross peaks as follows:
When possible, 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 60msec mixing time spectra:
strong peak : d < 3.50 A
medium peak : d < 4.20 A
weak peak : d < 5.00 A
v. weak peak : d < 6.00 A
From 120 ms 3-D N15 NOE spectrum and 3-D C13 NOE spectrum:
strong peak : d < 3.50 A
medium peak : d < 4.20 A
weak peak : d < 5.00 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 < 5.00 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 ********** }
{ P471 }
{ M472 }
{ A473 }
{ S474 }
{ A475 }
{ Y476 }
{ M477 }
{ S478 }
{ T479 }
{ A480 } { 8.85hn, 4.49ha, 1.39hb* }
{ A481 } { 7.75hn, 4.34ha, 1.31hb* }
assign (resid 481 and name hn ) (resid 481 and name hb*) 4.50 4.50 0.0
assign (resid 481 and name ha ) (resid 481 and name hn ) 3.50 3.50 0.0
assign (resid 481 and name ha ) (resid 481 and name hb*) 4.50 4.50 0.0
{ G482 } { 8.29hn, 3.90ha1*, 4.78ha2* }
assign (resid 482 and name hn) (resid 482 and name ha2) 3.50 3.50 0.0
{ L483 } { 8.02hn, 4.22ha, 1.89hb1, 1.69hb2, 1.46hg, 0.97hd1*, 1.05hd2* }
assign (resid 483 and name hn ) (resid 482 and name ha2) 4.20 4.20 0.0
assign (resid 483 and name hb*) (resid 483 and name hn ) 4.20 4.20 0.0
assign (resid 483 and name hb*) (resid 483 and name hg ) 4.20 4.20 0.0
assign (resid 483 and name hb*) (resid 483 and name hd**) 7.40 7.40 0.0
assign (resid 483 and name hb*) (resid 482 and name ha ) 4.20 4.20 0.0
{ P484 } { 4.53ha, 2.45hb1, 2.13hb2 }
assign (resid 484 and name ha ) (resid 484 and name hb1) 3.50 3.50 0.0
{ Q485 } { 8.48hn, 4.39ha, 2.00hb*, 2.47hg*, 6.87he1, 7.58he2 }
assign (resid 485 and name hn ) (resid 485 and name ha ) 3.50 3.50 0.0
assign (resid 485 and name ha ) (resid 484 and name hb2) 4.20 4.20 0.0
assign (resid 485 and name hb*) (resid 485 and name hn ) 4.20 4.20 0.0
assign (resid 485 and name he1) (resid 485 and name he2) 3.50 3.50 0.0
{ F486 } { 8.23hn, 4.69ha, 3.25hb1, 3.04hb2, 7.33hd*, 7.44he* }
assign (resid 486 and name hb2) (resid 486 and name hd*) 5.90 5.90 0.0
assign (resid 486 and name hd*) (resid 486 and name he*) 5.90 5.90 0.0
{ G487 } { 8.39hn, 4.02ha1, 3.93ha2}
assign (resid 487 and name hn ) (resid 486 and name ha ) 3.50 3.50 0.0
assign (resid 487 and name hn ) (resid 487 and name ha1) 3.50 3.50 0.0
assign (resid 487 and name hn ) (resid 487 and name ha2) 3.50 3.50 0.0
{ S488 } { 8.20hn, 4.44ha, 3.87hb* }
assign (resid 488 and name hn ) (resid 488 and name ha ) 3.50 3.50 0.0
assign (resid 488 and name hb*) (resid 488 and name hn ) 4.20 4.20 0.0
assign (resid 488 and name hb*) (resid 488 and name ha ) 4.20 4.20 0.0
assign (resid 488 and name hn ) (resid 487 and name hn ) 3.50 3.50 0.0
assign (resid 488 and name hn ) (resid 487 and name ha*) 3.50 3.50 0.0
assign (resid 488 and name hn ) (resid 487 and name hb*) 4.20 4.20 0.0
{ A489 } { 8.44hn, 4.35ha, 1.39hb* }
{ S490 } { 8.24hn, 4.48ha, 3.87hb* }
{ A491 } { 8.19hn, 4.23ha, 1.43hb* }
{ L492 } { 8.38hn, 4.61ha, 1.67hb*, 1.35hg, 0.90hd1*, 0.75hd2* }
{ S493 } { 8.10hn, 4.52ha, 3.87hb* }
assign (resid 493 and name hn ) (resid 493 and name hb*) 4.20 4.20 0.0
assign (resid 493 and name hn ) (resid 492 and name hb*) 4.90 4.90 0.0
assign (resid 493 and name ha ) (resid 492 and name hn ) 5.00 5.00 0.0
{ T494 } { 8.37hn, 4.37ha, 4.23hb, 1.43hg* }
{ S495 } { 8.17hn, 4.57ha, 3.80hb* }
assign (resid 495 and name hn ) (resid 494 and name ha ) 3.50 3.50 0.0
assign (resid 495 and name hn ) (resid 494 and name hb ) 3.50 3.50 0.0
assign (resid 495 and name hn ) (resid 494 and name hg*) 4.50 4.50 0.0
{ P496 }
{ L497 }
{ A498 }
{ S499 }
{ V500 }
{ A501 } { 8.43hn, 4.13ha, 1.46hb* }
{ L502 } { 8.23hn, 4.21ha, 1.64hb*, 1.37hg, 0.95hd1*, 0.90hd2* }
{ S503 }
{ A504 }
{ A505 }
{ A506 }
{ A507 }
{ A508 }
{ A509 }
{ A510 } { 7.78hn, 4.33ha, 1.40hb* }
{ G511 } { 8.92hn, 4.14ha1*, 3.79ha2* }
assign (resid 511 and name hn ) (resid 511 and name ha*) 4.20 4.20 0.0
assign (resid 511 and name hn ) (resid 532 and name ha ) 6.70 6.70 0.0
assign (resid 511 and name hn ) (resid 533 and name hb1) 5.00 5.00 0.0
assign (resid 511 and name hn ) (resid 533 and name hb2) 5.00 5.00 0.0
assign (resid 511 and name ha*) (resid 534 and name hn ) 6.00 6.00 0.0
assign (resid 511 and name hn ) (resid 547 and name hg2*) 7.00 7.00 0.0
assign (resid 511 and name ha*) (resid 548 and name ha ) 4.90 4.90 0.0
assign (resid 511 and name hn ) (resid 548 and name ha ) 6.00 6.00 0.0
assign (resid 511 and name hn ) (resid 549 and name hb*) 6.00 6.00 0.0
{ K512 } { 7.80hn, 4.41ha, 1.83hb*, 1.58hg1*, 1.43hg2*, 1.72hd*, 3.29he* }
assign (resid 512 and name hn ) (resid 512 and name hb*) 4.20 4.20 0.0
assign (resid 512 and name hn ) (resid 512 and name hg*) 4.20 4.20 0.0
assign (resid 512 and name ha ) (resid 512 and name hn ) 3.50 3.50 0.0
assign (resid 512 and name ha ) (resid 512 and name hb*) 4.20 4.20 0.0
assign (resid 512 and name ha ) (resid 512 and name hg*) 4.20 4.20 0.0
assign (resid 512 and name hn ) (resid 511 and name ha1) 3.50 3.50 0.0
assign (resid 512 and name hn ) (resid 511 and name hn ) 3.90 3.90 0.0
assign (resid 512 and name hb*) (resid 547 and name hg2*) 6.70 6.70 0.0
assign (resid 512 and name hn ) (resid 548 and name hb*) 6.70 6.70 0.0
assign (resid 512 and name hb*) (resid 548 and name ha ) 6.70 6.70 0.0
{ Q513 } { 8.49hn, 4.32ha, 1.79hb1, 1.86hb2, 2.08hg1, 2.15hg2, 6.77he1, 7.14he2 }
assign (resid 513 and name hn ) (resid 513 and name ha ) 3.50 3.50 0.0
assign (resid 513 and name ha ) (resid 513 and name he*) 6.00 6.00 0.0
assign (resid 513 and name ha ) (resid 513 and name hb*) 4.20 4.20 0.0
assign (resid 513 and name hb*) (resid 513 and name hn ) 4.20 4.20 0.0
assign (resid 513 and name hb*) (resid 513 and name he2) 4.20 4.20 0.0
assign (resid 513 and name hn ) (resid 512 and name hn ) 5.00 5.00 0.0
assign (resid 513 and name hn ) (resid 512 and name ha ) 3.50 3.50 0.0
assign (resid 513 and name hn ) (resid 512 and name hb*) 5.70 5.70 0.0
assign (resid 513 and name hn ) (resid 512 and name hd*) 5.70 5.70 0.0
assign (resid 513 and name hn ) (resid 512 and name hg*) 5.70 5.70 0.0
assign (resid 513 and name ha ) (resid 512 and name hg*) 5.70 5.70 0.0
assign (resid 513 and name ha ) (resid 514 and name hd*) 5.70 5.70 0.0
assign (resid 513 and name ha ) (resid 546 and name hn ) 6.00 6.00 0.0
assign (resid 513 and name hb*) (resid 546 and name hn ) 6.70 6.70 0.0
{ I514 } { 8.04hn, 4.11ha, 1.71hb, 1.57hg*, 0.85hd*, 0.87hd2* }
assign (resid 514 and name hn ) (resid 514 and name hb ) 3.50 3.50 0.0
assign (resid 514 and name hn ) (resid 514 and name hd*) 5.20 5.20 0.0
assign (resid 514 and name hb ) (resid 514 and name ha ) 3.50 3.50 0.0
assign (resid 514 and name hd*) (resid 514 and name ha ) 5.20 5.20 0.0
assign (resid 514 and name hd*) (resid 514 and name hb ) 4.50 4.50 0.0
assign (resid 514 and name hn ) (resid 513 and name hn ) 6.00 6.00 0.0
assign (resid 514 and name hd*) (resid 513 and name hn ) 6.70 6.70 0.0
{ E515 } { 8.47hn, 4.42ha, 1.94hb*, 2.29hg1, 2.19hg2 }
assign (resid 515 and name hn ) (resid 515 and name hg*) 4.20 4.20 0.0
assign (resid 515 and name ha ) (resid 515 and name hn ) 3.50 3.50 0.0
assign (resid 515 and name hn ) (resid 515 and name hb*) 4.20 4.20 0.0
assign (resid 515 and name hg*) (resid 515 and name ha ) 4.20 4.20 0.0
assign (resid 515 and name ha ) (resid 515 and name hb*) 4.20 4.20 0.0
assign (resid 515 and name ha ) (resid 513 and name hg*) 4.90 4.90 0.0
assign (resid 515 and name hn ) (resid 514 and name hn ) 6.00 6.00 0.0
assign (resid 515 and name hn ) (resid 514 and name ha ) 4.20 4.20 0.0
assign (resid 515 and name ha ) (resid 514 and name hd*) 6.00 6.00 0.0
assign (resid 515 and name hb*) (resid 514 and name ha ) 5.70 5.70 0.0
assign (resid 515 and name ha ) (resid 516 and name hn ) 5.00 5.00 0.0
assign (resid 515 and name ha ) (resid 517 and name hn ) 6.00 6.00 0.0
{ G516 } { 9.22hn, 4.47ha1*, 3.89ha2* }
assign (resid 516 and name hn ) (resid 516 and name ha*) 3.50 3.50 0.0
assign (resid 516 and name hn ) (resid 515 and name hg2) 5.00 5.00 0.0
assign (resid 516 and name hn ) (resid 515 and name hb*) 4.20 4.20 0.0
assign (resid 516 and name ha*) (resid 517 and name hn ) 5.20 5.20 0.0
assign (resid 516 and name ha*) (resid 518 and name hb*) 6.70 6.70 0.0
{ P517 } {9.08hn, 4.43ha, 2.57hb*, 2.06hg1, 1.92hg2, 3.68hd1, 3.87hd2 }
assign (resid 517 and name ha ) (resid 517 and name hn ) 3.50 3.50 0.0
assign (resid 517 and name ha ) (resid 517 and name hb*) 4.20 4.20 0.0
assign (resid 517 and name hb*) (resid 517 and name hn ) 4.20 4.20 0.0
assign (resid 517 and name hb*) (resid 517 and name hd*) 4.90 4.90 0.0
{ E518 } { 8.38hn, 4.15ha, 2.01hb1, 2.07hb2, 2.38hg* }
assign (resid 518 and name hn ) (resid 518 and name ha ) 3.50 3.50 0.0
assign (resid 518 and name hn ) (resid 518 and name hb*) 4.20 4.20 0.0
assign (resid 518 and name hn ) (resid 518 and name hg*) 4.20 4.20 0.0
assign (resid 518 and name ha ) (resid 518 and name hg*) 4.20 4.20 0.0
assign (resid 518 and name ha ) (resid 518 and name hb*) 4.20 4.20 0.0
assign (resid 518 and name hb*) (resid 518 and name hg*) 4.90 4.90 0.0
assign (resid 518 and name hg*) (resid 517 and name hg*) 5.70 5.70 0.0
assign (resid 518 and name hn ) (resid 517 and name hd*) 6.00 6.00 0.0
assign (resid 518 and name hb*) (resid 519 and name hn ) 4.20 4.20 0.0
assign (resid 518 and name hg*) (resid 519 and name hn ) 4.90 4.90 0.0
assign (resid 518 and name hg*) (resid 519 and name ha2) 5.70 5.70 0.0
assign (resid 518 and name ha ) (resid 519 and name hn ) 3.50 3.50 0.0
assign (resid 518 and name ha ) (resid 520 and name hn ) 5.00 5.00 0.0
{ G519 } { 8.80hn, 4.42ha1*, 3.89ha2* }
assign (resid 519 and name hn ) (resid 519 and name ha*) 4.20 4.20 0.0
assign (resid 519 and name hn ) (resid 518 and name ha ) 3.50 3.50 0.0
assign (resid 519 and name hn ) (resid 518 and name hg*) 4.20 4.20 0.0
assign (resid 519 and name hn ) (resid 518 and name hb*) 4.20 4.20 0.0
assign (resid 519 and name hn ) (resid 518 and name hn ) 5.00 5.00 0.0
assign (resid 519 and name hn ) (resid 520 and name hn ) 4.20 4.20 0.0
assign (resid 519 and name ha*) (resid 520 and name hn ) 5.70 5.70 0.0
assign (resid 519 and name hn ) (resid 521 and name hn ) 5.70 5.70 0.0
assign (resid 519 and name ha*) (resid 569 and name hb*) 6.40 6.40 0.0
assign (resid 519 and name hn ) (resid 595 and name hd**) 7.40 7.40 0.0
assign (resid 519 and name hn ) (resid 596 and name hg*) 6.70 6.70 0.0
{ C520 } { 7.68hn, 4.42ha, 3.36hb1*, 2.95hb2* }
assign (resid 520 and name hn ) (resid 520 and name ha ) 3.50 3.50 0.0
assign (resid 520 and name hn ) (resid 520 and name hb*) 4.20 4.20 0.0
assign (resid 520 and name ha ) (resid 520 and name hb*) 4.20 4.20 0.0
assign (resid 520 and name hn ) (resid 518 and name ha ) 5.00 5.00 0.0
assign (resid 520 and name hn ) (resid 518 and name hb2) 6.00 6.00 0.0
assign (resid 520 and name hb*) (resid 519 and name ha2) 5.70 5.70 0.0
assign (resid 520 and name hn ) (resid 519 and name hn ) 3.50 3.50 0.0
assign (resid 520 and name hn ) (resid 519 and name ha*) 4.20 4.20 0.0
assign (resid 520 and name hn ) (resid 521 and name he1) 6.00 6.00 0.0
assign (resid 520 and name hn ) (resid 521 and name ha ) 5.00 5.00 0.0
assign (resid 520 and name hn ) (resid 522 and name hd**) 8.40 8.40 0.0
assign (resid 520 and name hn ) (resid 568 and name hd*) 8.40 8.40 0.0
assign (resid 520 and name hn ) (resid 568 and name hn ) 4.20 4.20 0.0
assign (resid 520 and name hn ) (resid 570 and name hn ) 6.00 6.00 0.0
assign (resid 520 and name hb*) (resid 596 and name hn ) 6.70 6.70 0.0
assign (resid 520 and name hn ) (resid 596 and name hg*) 5.70 5.70 0.0
{ N521 } { 7.74hn, 5.12ha, 2.85hb*, 6.89hd1, 7.71hd2 }
assign (resid 521 and name hn ) (resid 521 and name hd1) 4.20 4.20 0.0
assign (resid 521 and name hn ) (resid 521 and name ha ) 3.50 3.50 0.0
assign (resid 521 and name ha ) (resid 521 and name hb*) 4.20 4.20 0.0
assign (resid 521 and name hb*) (resid 521 and name hd*) 4.90 4.90 0.0
assign (resid 521 and name hn ) (resid 519 and name hn ) 5.70 5.70 0.0
assign (resid 521 and name hn ) (resid 520 and name hn ) 3.50 3.50 0.0
assign (resid 521 and name hn ) (resid 520 and name hb*) 5.00 5.00 0.0
assign (resid 521 and name hn ) (resid 522 and name hb*) 5.70 5.70 0.0
assign (resid 521 and name ha ) (resid 523 and name hd*) 8.40 8.40 0.0
assign (resid 521 and name hn ) (resid 567 and name ha ) 5.00 5.00 0.0
assign (resid 521 and name hn ) (resid 596 and name hg*) 4.90 4.90 0.0
assign (resid 521 and name hd*) (resid 596 and name hg*) 5.70 5.70 0.0
assign (resid 521 and name hn ) (resid 597 and name ha ) 4.20 4.20 0.0
{ L522 } { 9.31hn, 5.11ha, 1.45hb1, 1.16hb2, 1.52hg, 0.74hd** }
assign (resid 522 and name hn ) (resid 522 and name ha ) 3.50 3.50 0.0
assign (resid 522 and name ha ) (resid 522 and name hb2) 3.50 3.50 0.0
assign (resid 522 and name ha ) (resid 522 and name hg ) 3.50 3.50 0.0
assign (resid 522 and name ha ) (resid 522 and name hd**) 5.90 5.90 0.0
assign (resid 522 and name hn ) (resid 522 and name hb*) 4.20 4.20 0.0
assign (resid 522 and name hb*) (resid 522 and name hd**) 6.60 6.60 0.0
assign (resid 522 and name hn ) (resid 522 and name hd**) 6.60 6.60 0.0
assign (resid 522 and name hn ) (resid 521 and name hn ) 5.00 5.00 0.0
assign (resid 522 and name hb*) (resid 521 and name ha ) 4.90 4.90 0.0
assign (resid 522 and name hn ) (resid 521 and name ha ) 3.50 3.50 0.0
assign (resid 522 and name hn ) (resid 523 and name hn ) 5.00 5.00 0.0
assign (resid 522 and name hb*) (resid 524 and name hd*) 5.90 5.90 0.0
assign (resid 522 and name hn ) (resid 524 and name hd*) 6.00 6.00 0.0
assign (resid 522 and name hd**) (resid 524 and name hd*) 7.60 7.60 0.0
assign (resid 522 and name hd**) (resid 540 and name hz ) 6.60 6.60 0.0
assign (resid 522 and name hd**) (resid 540 and name he*) 8.40 8.40 0.0
assign (resid 522 and name hn ) (resid 540 and name hz ) 6.00 6.00 0.0
assign (resid 522 and name hn ) (resid 540 and name he*) 8.40 8.40 0.0
assign (resid 522 and name hd**) (resid 564 and name ha ) 6.60 6.60 0.0
assign (resid 522 and name hn ) (resid 565 and name ha ) 6.00 6.00 0.0
assign (resid 522 and name hn ) (resid 565 and name hb1) 6.00 6.00 0.0
assign (resid 522 and name hn ) (resid 566 and name ha ) 6.00 6.00 0.0
assign (resid 522 and name hn ) (resid 566 and name hb ) 4.90 4.90 0.0
assign (resid 522 and name hn ) (resid 566 and name hg**) 7.40 7.40 0.0
assign (resid 522 and name hd**) (resid 566 and name hn ) 7.40 7.40 0.0
assign (resid 522 and name hb*) (resid 566 and name hg**) 6.60 6.60 0.0
assign (resid 522 and name hn ) (resid 566 and name hn ) 4.20 4.20 0.0
assign (resid 522 and name hn ) (resid 567 and name ha ) 3.50 3.50 0.0
assign (resid 522 and name hn ) (resid 568 and name hn ) 6.00 6.00 0.0
assign (resid 522 and name hd**) (resid 568 and name hb2) 6.60 6.60 0.0
assign (resid 522 and name hd**) (resid 574 and name ha ) 8.40 8.40 0.0
assign (resid 522 and name hd**) (resid 575 and name ha ) 7.40 7.40 0.0
assign (resid 522 and name hd**) (resid 575 and name hn ) 7.40 7.40 0.0
assign (resid 522 and name hd**) (resid 578 and name hn ) 7.40 7.40 0.0
{ F523 } { 9.08hn, 5.53ha, 2.92hb*, 7.42hd*, 7.12he*, 6.70he }
assign (resid 523 and name hn ) (resid 523 and name hd*) 7.40 7.40 0.0
assign (resid 523 and name hn ) (resid 523 and name ha ) 3.50 3.50 0.0
assign (resid 523 and name hn ) (resid 523 and name hb*) 4.20 4.20 0.0
assign (resid 523 and name ha ) (resid 523 and name hd*) 7.40 7.40 0.0
assign (resid 523 and name ha ) (resid 523 and name he*) 7.40 7.40 0.0
assign (resid 523 and name ha ) (resid 523 and name hb*) 4.20 4.20 0.0
assign (resid 523 and name hb*) (resid 523 and name hd*) 6.60 6.60 0.0
assign (resid 523 and name hn ) (resid 522 and name ha ) 3.50 3.50 0.0
assign (resid 523 and name hn ) (resid 522 and name hg ) 5.00 5.00 0.0
assign (resid 523 and name hn ) (resid 522 and name hd**) 8.40 8.40 0.0
assign (resid 523 and name hn ) (resid 522 and name hn ) 5.00 5.00 0.0
assign (resid 523 and name hb*) (resid 522 and name ha ) 5.70 5.70 0.0
assign (resid 523 and name hn ) (resid 524 and name hn ) 5.00 5.00 0.0
assign (resid 523 and name ha ) (resid 524 and name hn ) 3.50 3.50 0.0
assign (resid 523 and name hb*) (resid 524 and name hn ) 5.70 5.70 0.0
assign (resid 523 and name hb*) (resid 525 and name hd*) 7.40 7.40 0.0
assign (resid 523 and name hb*) (resid 525 and name he*) 7.40 7.40 0.0
assign (resid 523 and name hn ) (resid 525 and name hd*) 8.40 8.40 0.0
assign (resid 523 and name hn ) (resid 525 and name he*) 8.40 8.40 0.0
assign (resid 523 and name hb*) (resid 563 and name hz ) 6.70 6.70 0.0
assign (resid 523 and name hb*) (resid 565 and name ha ) 5.70 5.70 0.0
assign (resid 523 and name hn ) (resid 595 and name ha ) 4.20 4.20 0.0
assign (resid 523 and name hb*) (resid 596 and name hg*) 6.40 6.40 0.0
{ I524 } { 8.66hn, 5.12ha, 1.52hb, 1.22hg1, 1.01hg2, 0.39hd*, 0.73hd2*}
assign (resid 524 and name hn ) (resid 524 and name ha ) 3.50 3.50 0.0
assign (resid 524 and name hn ) (resid 524 and name hb ) 4.20 4.20 0.0
assign (resid 524 and name hn ) (resid 524 and name hg*) 4.90 4.90 0.0
assign (resid 524 and name hn ) (resid 524 and name hd**) 4.90 4.90 0.0
assign (resid 524 and name ha ) (resid 524 and name hb ) 3.50 3.50 0.0
assign (resid 524 and name ha ) (resid 524 and name hg*) 3.50 3.50 0.0
assign (resid 524 and name ha ) (resid 524 and name hd**) 4.20 4.20 0.0
assign (resid 524 and name hb ) (resid 524 and name hg*) 3.50 3.50 0.0
assign (resid 524 and name hb ) (resid 524 and name hd**) 4.20 4.20 0.0
assign (resid 524 and name hn ) (resid 523 and name hn ) 5.00 5.00 0.0
assign (resid 524 and name hn ) (resid 523 and name ha ) 3.50 3.50 0.0
assign (resid 524 and name ha ) (resid 523 and name hn ) 5.00 5.00 0.0
assign (resid 524 and name ha ) (resid 523 and name ha ) 4.20 4.20 0.0
assign (resid 524 and name hn ) (resid 523 and name hb*) 4.90 4.90 0.0
assign (resid 524 and name ha ) (resid 525 and name hn ) 3.50 3.50 0.0
assign (resid 524 and name hb ) (resid 525 and name hn ) 6.00 6.00 0.0
assign (resid 524 and name hn ) (resid 525 and name hn ) 5.00 5.00 0.0
assign (resid 524 and name hn ) (resid 540 and name he*) 8.40 8.40 0.0
assign (resid 524 and name hd*) (resid 540 and name he*) 6.70 6.70 0.0
assign (resid 524 and name hd*) (resid 563 and name ha ) 6.70 6.70 0.0
assign (resid 524 and name hb ) (resid 563 and name ha ) 5.00 5.00 0.0
assign (resid 524 and name hn ) (resid 564 and name ha ) 5.00 5.00 0.0
assign (resid 524 and name hb ) (resid 564 and name hn ) 5.00 5.00 0.0
assign (resid 524 and name hn ) (resid 565 and name ha ) 3.50 3.50 0.0
assign (resid 524 and name hg*) (resid 565 and name ha ) 5.70 5.70 0.0
assign (resid 524 and name hd*) (resid 565 and name ha ) 6.70 6.70 0.0
assign (resid 524 and name hn ) (resid 566 and name hn ) 6.00 6.00 0.0
assign (resid 524 and name hn ) (resid 578 and name hg2) 6.00 6.00 0.0
assign (resid 524 and name hn ) (resid 593 and name hg**) 7.40 7.40 0.0
assign (resid 524 and name hd*) (resid 593 and name ha ) 6.70 6.70 0.0
{ Y525 } { 9.54hn, 5.11ha, 2.51hb1, 2.89hb2, 6.92hd*, 6.40he* }
assign (resid 525 and name hn ) (resid 525 and name hd*) 5.90 5.90 0.0
assign (resid 525 and name hn ) (resid 525 and name he*) 6.60 6.60 0.0
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{ L527 } { 7.67hn, 4.00ha, 1.11hb*, 1.46hg, 0.63hd1*, 0.75hd2* }
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{ P528 } { 4.38ha, 1.72hb*, 2.05hg*, 3.86hd1*, 3.68hd2* }
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{ Q529 } { 9.16hn, 4.15ha, 2.21hb1, 2.10hb2, 2.42hg1, 2.56hg2, 7.68he1, 7.08he2 }
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{ E530 } { 9.04hn, 4.39ha, 2.12hb1, 2.22hb2, 2.40hg* }
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{ F531 } { 7.70hn, 4.79ha, 3.53hb1, 2.86hb2, 7.12hd*, 7.38he*, 6.90hz}
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{ T532 } { 9.20hn, 4.77ha, 4.17hb, 1.36hg* }
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{ D533 } { 8.72hn, 4.09ha, 2.85hb1*, 2.74hb2* }
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{ L536 } { 8.21hn, 4.33ha, 1.36hb1, 2.00hb2, 1.09hg, 0.72hd** }
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assign (resid 594 and name hn ) (resid 525 and name he*) 8.40 8.40 0.0
assign (resid 594 and name hn ) (resid 525 and name hd*) 8.40 8.40 0.0
assign (resid 594 and name he*) (resid 525 and name hd*) 6.70 6.70 0.0
assign (resid 594 and name hn ) (resid 592 and name hg2) 6.00 6.00 0.0
assign (resid 594 and name he*) (resid 592 and name hd2) 6.70 6.70 0.0
assign (resid 594 and name he*) (resid 592 and name hg1) 6.70 6.70 0.0
assign (resid 594 and name hb*) (resid 592 and name hg1) 6.70 6.70 0.0
assign (resid 594 and name hg*) (resid 593 and name hn ) 5.70 5.70 0.0
assign (resid 594 and name hg*) (resid 593 and name ha) 6.70 6.70 0.0
assign (resid 594 and name hn ) (resid 593 and name hg**) 7.40 7.40 0.0
assign (resid 594 and name hn ) (resid 593 and name hn ) 6.00 6.00 0.0
assign (resid 594 and name ha ) (resid 593 and name hn ) 6.00 6.00 0.0
assign (resid 594 and name hn ) (resid 593 and name ha ) 3.50 3.50 0.0
assign (resid 594 and name hn ) (resid 593 and name hb ) 6.00 6.00 0.0
assign (resid 594 and name hb*) (resid 593 and name hn ) 5.70 5.70 0.0
assign (resid 594 and name hb*) (resid 593 and name ha ) 6.70 6.70 0.0
{ L595 } { 8.80hn, 4.61ha, 1.73hb1, 1.63hb2, 1.37hg, 0.94hd1*, 0.88hd2* }
assign (resid 595 and name hg ) (resid 595 and name hb*) 4.20 4.20 0.0
assign (resid 595 and name hg ) (resid 595 and name hd**) 5.90 5.90 0.0
assign (resid 595 and name ha ) (resid 595 and name hb*) 4.20 4.20 0.0
assign (resid 595 and name ha ) (resid 595 and name hd**) 5.90 5.90 0.0
assign (resid 595 and name hn ) (resid 595 and name hb*) 4.20 4.20 0.0
assign (resid 595 and name hn ) (resid 595 and name hg ) 5.00 5.00 0.0
assign (resid 595 and name hn ) (resid 595 and name hd**) 5.90 5.90 0.0
assign (resid 595 and name ha ) (resid 522 and name ha ) 3.50 3.50 0.0
assign (resid 595 and name hn ) (resid 522 and name hg ) 6.00 6.00 0.0
assign (resid 595 and name hn ) (resid 522 and name hd**) 6.60 6.60 0.0
assign (resid 595 and name hd**) (resid 522 and name ha ) 7.40 7.40 0.0
assign (resid 595 and name ha ) (resid 522 and name hd**) 6.60 6.60 0.0
assign (resid 595 and name hn ) (resid 523 and name hn ) 6.00 6.00 0.0
assign (resid 595 and name hd**) (resid 540 and name hz ) 8.40 8.40 0.0
assign (resid 595 and name hd**) (resid 575 and name he*) 6.40 6.40 0.0
assign (resid 595 and name hn ) (resid 594 and name ha ) 4.20 4.20 0.0
assign (resid 595 and name hn ) (resid 594 and name hg ) 4.20 4.20 0.0
assign (resid 595 and name hn ) (resid 594 and name hb*) 4.20 4.20 0.0
assign (resid 595 and name hn ) (resid 595 and name ha ) 3.50 3.50 0.0
assign (resid 595 and name ha ) (resid 596 and name hn ) 5.00 5.00 0.0
assign (resid 595 and name hn ) (resid 596 and name hn ) 5.00 5.00 0.0
assign (resid 595 and name hb*) (resid 596 and name hn ) 6.70 6.70 0.0
assign (resid 595 and name hb*) (resid 596 and name ha ) 5.70 5.70 0.0
assign (resid 595 and name hd**) (resid 596 and name hn ) 7.50 7.50 0.0
assign (resid 595 and name hd**) (resid 594 and name hg*) 8.40 8.40 0.0
{ K596 } { 8.44hn, 4.30ha, 1.38hb1, 1.70hb2, 1.46hg*, 1.56hd*, 3.30he* }
assign (resid 596 and name hd*) (resid 596 and name hb*) 4.90 4.90 0.0
assign (resid 596 and name hg*) (resid 596 and name hb*) 4.90 4.90 0.0
assign (resid 596 and name hg*) (resid 596 and name hd*) 4.90 4.90 0.0
assign (resid 596 and name ha ) (resid 596 and name hb*) 4.20 4.20 0.0
assign (resid 596 and name ha ) (resid 596 and name hg*) 4.20 4.20 0.0
assign (resid 596 and name hn ) (resid 596 and name ha ) 3.50 3.50 0.0
assign (resid 596 and name hn ) (resid 596 and name hb*) 4.20 4.20 0.0
assign (resid 596 and name hn ) (resid 596 and name hg*) 4.90 4.90 0.0
assign (resid 596 and name hn ) (resid 521 and name hn ) 4.20 4.20 0.0
assign (resid 596 and name hd*) (resid 521 and name hd1) 6.70 6.70 0.0
assign (resid 596 and name hd*) (resid 521 and name hb*) 7.40 7.40 0.0
assign (resid 596 and name hn ) (resid 522 and name ha ) 4.20 4.20 0.0
assign (resid 596 and name hn ) (resid 595 and name ha ) 4.20 4.20 0.0
assign (resid 596 and name hn ) (resid 595 and name hb2) 5.00 5.00 0.0
assign (resid 596 and name hn ) (resid 595 and name hd**) 7.40 7.40 0.0
assign (resid 596 and name hb*) (resid 595 and name ha ) 6.70 6.70 0.0
assign (resid 596 and name hd*) (resid 595 and name hn ) 6.70 6.70 0.0
{ K597 } { 8.60hn, 4.69ha, 1.90hb1, 2.01hb2, 1.38hg1, 1.54hg2, 1.72hd*, 3.07he1, 3.15he2 }
assign (resid 597 and name hb*) (resid 597 and name he1) 5.70 5.70 0.0
assign (resid 597 and name hg*) (resid 597 and name ha ) 4.90 4.90 0.0
assign (resid 597 and name hd*) (resid 597 and name hn ) 6.70 6.70 0.0
assign (resid 597 and name hn ) (resid 597 and name hb*) 4.20 4.20 0.0
assign (resid 597 and name hn ) (resid 597 and name hg*) 4.90 4.90 0.0
assign (resid 597 and name hn ) (resid 597 and name hd*) 4.90 4.90 0.0
assign (resid 597 and name hn ) (resid 597 and name ha ) 3.50 3.50 0.0
assign (resid 597 and name hn ) (resid 597 and name he1) 6.00 6.00 0.0
assign (resid 597 and name hn ) (resid 520 and name ha ) 6.00 6.00 0.0
assign (resid 597 and name hn ) (resid 521 and name hn ) 6.00 6.00 0.0
assign (resid 597 and name hn ) (resid 578 and name hd2*) 7.00 7.00 0.0
assign (resid 597 and name hn ) (resid 578 and name hd*) 7.00 7.00 0.0
{ P598 } {3.87hd1*, 3.70hd2* }
{ K599 }
{ S600 }
{ K601 }
{ P602 }
{ Y603 }