NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
11391 |
1rg3   |
6040 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
assign (resid 1 and name HA#) (resid 2 and name HN) 2.8 1.0 1.0 ! peak: 22 volume: 411.77 intensity: 53.21 occur:2.0 {?}
assign (resid 1 and name HA#) (resid 2 and name HA) 3.4 1.6 1.0 ! peak: 24 volume: 58.37 intensity: 4.71 occur:1.0 {?}
assign (resid 1 and name HA#) (resid 2 and name HD#) 5.0 3.2 2.0 ! peak: 25 volume: 9.20 intensity: 1.58 occur:1.0 {?}
assign (resid 1 and name HA#) (resid 2 and name HG#) 5.0 3.2 2.0 ! peak: 26 volume: 34.73 intensity: 2.99 occur:1.0 {?}
assign (resid 1 and name HA#) (resid 2 and name HB#) 3.4 1.6 2.0 ! peak: 27 volume: 124.63 intensity: 10.56 occur:1.0 {?}
assign (resid 2 and name HA) (resid 3 and name HN) 2.8 1.0 0.0 ! peak: 40 volume: 172.81 intensity: 10.68 occur:2.0 {?}
assign (resid 2 and name HD#) (resid 3 and name HN) 5.0 3.2 1.0 ! peak: 56 volume: 17.95 intensity: 1.58 occur:2.0 {?}
assign (resid 2 and name HE) (resid 3 and name HN) 5.0 3.2 0.0 ! peak: 67 volume: 5.27 intensity: 0.72 occur:1.0 {?}
assign (resid 2 and name HA) (resid 3 and name HG#) 5.0 3.2 1.0 ! peak: 98 volume: 3.77 intensity: 1.32 occur:2.0 {?}
assign (resid 2 and name HA) (resid 3 and name HA) 5.0 3.2 0.0 ! peak: 451 volume: 6.07 intensity: 1.23 occur:1.0 {?}
assign (resid 3 and name HG#) (resid 4 and name HN) 5.0 3.2 1.0 ! peak: 34 volume: 3.63 intensity: 0.56 occur:2.2 {?}
assign (resid 3 and name HA) (resid 4 and name HN) 5.0 3.2 0.0 ! peak: 76 volume: 44.17 intensity: 4.30 occur:2.0 {?}
assign (resid 3 and name HB#) (resid 4 and name HA) 5.0 3.2 1.0 ! peak: 109 volume: 7.94 intensity: 2.91 occur:2.1 {?}
assign (resid 3 and name HG#) (resid 4 and name HA) 5.0 3.2 1.0 ! peak: 457 volume: 5.74 intensity: 0.51 occur:1.0 {?}
assign (resid 3 and name HN) (resid 4 and name HB2) 5.0 3.2 0.0 ! peak: 672 volume: 44.02 intensity: 4.62 occur:1.0 {?}
assign (resid 4 and name HA) (resid 5 and name HD1) 3.4 1.6 0.0 ! peak: 149 volume: 96.07 intensity: 4.92 occur:2.0 {?}
assign (resid 4 and name HN) (resid 5 and name HD1) 2.8 1.0 0.0 ! peak: 152 volume: 242.90 intensity: 6.51 occur:2.0 {?}
assign (resid 4 and name HA) (resid 5 and name HD2) 5.0 3.2 0.0 ! peak: 170 volume: 126.75 intensity: 7.09 occur:2.0 {?} !loosened one notch
assign (resid 4 and name HN) (resid 5 and name HD2) 2.8 1.0 0.0 ! peak: 171 volume: 267.25 intensity: 7.41 occur:2.0 {?}
assign (resid 4 and name HA) (resid 5 and name HG#) 3.4 1.6 1.0 ! peak: 463 volume: 152.91 intensity: 5.71 occur:1.0 {?}
assign (resid 4 and name HN) (resid 5 and name HG#) 3.4 1.6 1.0 ! peak: 465 volume: 63.96 intensity: 3.82 occur:1.0 {?}
assign (resid 4 and name HD2#) (resid 5 and name HD2) 5.0 3.2 1.0 ! peak: 623 volume: 3.25 intensity: 0.26 occur:1.0 {?}
assign (resid 5 and name HD1) (resid 6 and name HN) 5.0 3.2 0.0 ! peak: 175 volume: 26.53 intensity: 1.79 occur:2.0 {?}
assign (resid 5 and name HG#) (resid 6 and name HN) 2.8 1.0 1.0 ! peak: 464 volume: 263.57 intensity: 4.18 occur:2.0 {?}
assign (resid 5 and name HD2) (resid 6 and name HN) 5.0 3.2 0.0 ! peak: 656 volume: 8.88 intensity: 1.19 occur:2.0 {?}
assign (resid 6 and name HN) (resid 7 and name HN) 2.8 1.0 0.0 ! peak: 21 volume: 390.97 intensity: 7.32 occur:2.0 {?}
assign (resid 6 and name HG#) (resid 7 and name HN) 5.0 3.2 1.0 ! peak: 207 volume: 41.22 intensity: 1.91 occur:3.0 {?}
assign (resid 6 and name HB#) (resid 7 and name HN) 3.4 1.6 1.0 ! peak: 209 volume: 109.16 intensity: 6.06 occur:2.0 {?}
assign (resid 7 and name HD##) (resid 8 and name HA) 5.0 3.2 3.0 ! peak: 492 volume: 5.03 intensity: 0.57 occur:1.0 {?}
assign (resid 7 and name HA) (resid 8 and name HN) 3.4 1.6 0.0 ! peak: 500 volume: 60.34 intensity: 7.85 occur:1.0 {?}
assign (resid 8 and name HN) (resid 9 and name HN) 2.8 1.0 0.0 ! peak: 19 volume: 321.41 intensity: 7.40 occur:2.0 {?}
assign (resid 8 and name HA) (resid 9 and name HB#) 5.0 3.2 1.0 ! peak: 252 volume: 2.08 intensity: 1.06 occur:2.0 {?}
assign (resid 8 and name HA) (resid 9 and name HN) 3.4 1.6 0.0 ! peak: 264 volume: 141.13 intensity: 3.39 occur:2.0 {?}
assign (resid 8 and name HG##) (resid 9 and name HB#) 5.0 3.2 4.0 ! peak: 285 volume: 2.85 intensity: 0.60 occur:2.1 {?}
assign (resid 8 and name HG##) (resid 9 and name HN) 2.8 1.0 3.0 ! peak: 504 volume: 78.93 intensity: 3.65 occur:2.1 {?}
assign (resid 8 and name HB) (resid 9 and name HN) 3.4 1.6 0.0 ! peak: 592 volume: 129.08 intensity: 8.35 occur:1.0 {?}
assign (resid 8 and name HN) (resid 9 and name HB#) 5.0 3.2 1.0 ! peak: 666 volume: 9.42 intensity: 1.08 occur:2.0 {?}
assign (resid 9 and name HN) (resid 10 and name HN) 2.8 1.0 0.0 ! peak: 266 volume: 277.69 intensity: 9.71 occur:1.0 {?}
assign (resid 9 and name HB#) (resid 10 and name HG#) 5.0 3.2 2.0 ! peak: 280 volume: 3.16 intensity: 1.11 occur:1.0 {?}
assign (resid 9 and name HB#) (resid 10 and name HN) 2.8 1.0 1.0 ! peak: 295 volume: 239.54 intensity: 5.38 occur:3.0 {?}
assign (resid 9 and name HB#) (resid 10 and name HB#) 5.0 3.2 2.0 ! peak: 604 volume: 19.46 intensity: 0.88 occur:3.0 {?}
assign (resid 10 and name HN) (resid 11 and name HN) 2.8 1.0 0.0 ! peak: 10 volume: 262.29 intensity: 11.20 occur:2.0 {?}
assign (resid 10 and name HD#) (resid 11 and name HN) 5.0 3.2 1.0 ! peak: 314 volume: 6.38 intensity: 1.20 occur:2.0 {?}
assign (resid 10 and name HB#) (resid 11 and name HN) 2.8 1.0 1.0 ! peak: 315 volume: 233.26 intensity: 10.84 occur:2.0 {?}
assign (resid 10 and name HE) (resid 11 and name HN) 5.0 3.2 0.0 ! peak: 617 volume: 1.00 intensity: 0.49 occur:1.0 {?}
assign (resid 10 and name HA) (resid 11 and name HN) 3.4 1.6 0.0 ! peak: 620 volume: 66.34 intensity: 15.48 occur:2.0 {?}
assign (resid 11 and name HN) (resid 12 and name HA) 5.0 3.2 0.0 ! peak: 7 volume: 14.57 intensity: 1.77 occur:2.0 {?}
assign (resid 11 and name HN) (resid 12 and name HN) 2.8 1.0 0.0 ! peak: 9 volume: 276.31 intensity: 10.27 occur:2.0 {?}
assign (resid 11 and name HA) (resid 12 and name HA) 5.0 3.2 0.0 ! peak: 573 volume: 9.82 intensity: 2.07 occur:1.0 {?}
assign (resid 11 and name HA) (resid 12 and name HN) 3.4 1.6 0.0 ! peak: 600 volume: 185.12 intensity: 6.87 occur:2.0 {?} !loosened one notch
assign (resid 11 and name HN) (resid 12 and name HG##) 5.0 3.2 3.0 ! peak: 628 volume: 9.73 intensity: 0.90 occur:1.1 {?}
assign (resid 11 and name HB#) (resid 12 and name HN) 3.4 1.6 1.0 ! peak: 683 volume: 132.06 intensity: 5.78 occur:2.0 {?}
assign (resid 12 and name HN) (resid 13 and name HA) 5.0 3.2 0.0 ! peak: 359 volume: 25.86 intensity: 1.51 occur:2.0 {?}
assign (resid 12 and name HA) (resid 13 and name HN) 3.4 1.6 0.0 ! peak: 531 volume: 238.19 intensity: 8.56 occur:2.0 {?} !loosened one notch
assign (resid 12 and name HN) (resid 13 and name HN) 2.8 1.0 0.0 ! peak: 552 volume: 181.17 intensity: 7.89 occur:1.0 {?}
assign (resid 12 and name HA) (resid 13 and name HA) 5.0 3.2 0.0 ! peak: 571 volume: 18.82 intensity: 2.61 occur:1.0 {?}
assign (resid 12 and name HB) (resid 13 and name HN) 2.8 1.0 0.0 ! peak: 591 volume: 319.76 intensity: 7.92 occur:2.0 {?}
assign (resid 12 and name HG##) (resid 13 and name HA) 5.0 3.2 3.0 ! peak: 632 volume: 6.25 intensity: 0.74 occur:1.0 {?}
assign (resid 14 and name HA) (resid 15 and name HN) 3.4 1.6 0.0 ! peak: 402 volume: 90.40 intensity: 14.02 occur:2.0 {?}
assign (resid 14 and name HN) (resid 15 and name HN) 3.4 1.6 0.0 ! peak: 416 volume: 63.76 intensity: 21.59 occur:1.0 {?}
assign (resid 14 and name HD#) (resid 15 and name HA) 5.0 3.2 1.0 ! peak: 692 volume: 7.17 intensity: 0.63 occur:1.0 {?}
assign (resid 15 and name HN) (resid 16 and name HN) 2.8 1.0 0.0 ! peak: 17 volume: 301.03 intensity: 18.80 occur:2.0 {?}
assign (resid 15 and name HA) (resid 16 and name HN) 3.4 1.6 0.0 ! peak: 383 volume: 109.47 intensity: 8.06 occur:1.0 {?}
assign (resid 15 and name HB2) (resid 16 and name HN) 5.0 3.2 0.0 ! peak: 384 volume: 41.42 intensity: 2.31 occur:2.0 {?}
assign (resid 15 and name HB1) (resid 16 and name HN) 3.4 1.6 0.0 ! peak: 385 volume: 62.43 intensity: 3.14 occur:2.0 {?}
assign (resid 15 and name HN) (resid 16 and name HB#) 5.0 3.2 1.0 ! peak: 395 volume: 34.67 intensity: 2.13 occur:2.1 {?}
assign (resid 15 and name HB2) (resid 16 and name HB#) 5.0 3.2 1.0 ! peak: 526 volume: 4.19 intensity: 0.37 occur:1.0 {?}
assign (resid 15 and name HB1) (resid 16 and name HB#) 5.0 3.2 1.0 ! peak: 527 volume: 7.64 intensity: 0.85 occur:2.0 {?}
assign (resid 15 and name HB2) (resid 16 and name HA) 5.0 3.2 0.0 ! peak: 694 volume: 1.51 intensity: 0.27 occur:1.0 {?}
! Medium
assign (resid 1 and name HA#) (resid 3 and name HG#) 5.0 3.2 2.0 ! peak: 643 volume: 5.50 intensity: 1.31 occur:1.0 {?}
assign (resid 1 and name HA#) (resid 3 and name HB#) 5.0 3.2 2.0 ! peak: 644 volume: 2.97 intensity: 1.15 occur:1.0 {?}
assign (resid 1 and name HA#) (resid 5 and name HD2) 3.4 1.6 1.0 ! peak: 645 volume: 53.48 intensity: 6.40 occur:1.0 {?}
assign (resid 2 and name HD#) (resid 5 and name HB#) 5.0 3.2 2.0 ! peak: 61 volume: 3.41 intensity: 1.18 occur:1.0 {?}
assign (resid 2 and name HA) (resid 5 and name HD2) 5.0 3.2 0.0 ! peak: 466 volume: 17.23 intensity: 1.15 occur:1.0 {?}
assign (resid 2 and name HA) (resid 5 and name HD1) 5.0 3.2 0.0 ! peak: 469 volume: 16.26 intensity: 1.62 occur:1.0 {?}
assign (resid 2 and name HE) (resid 5 and name HD2) 5.0 3.2 0.0 ! peak: 657 volume: 6.10 intensity: 0.40 occur:1.0 {careful}
assign (resid 3 and name HG#) (resid 6 and name HB#) 5.0 3.2 2.0 ! peak: 100 volume: 21.32 intensity: 1.42 occur:1.0 {?}
assign (resid 3 and name HA) (resid 5 and name HD1) 5.0 3.2 0.0 ! peak: 148 volume: 37.78 intensity: 1.76 occur:2.0 {?}
assign (resid 3 and name HN) (resid 5 and name HD1) 5.0 3.2 0.0 ! peak: 153 volume: 43.88 intensity: 2.20 occur:1.0 {?}
assign (resid 3 and name HN) (resid 5 and name HD2) 5.0 3.2 0.0 ! peak: 172 volume: 16.97 intensity: 2.10 occur:1.0 {?}
assign (resid 3 and name HA) (resid 5 and name HD2) 5.0 3.2 0.0 ! peak: 467 volume: 8.99 intensity: 1.48 occur:1.0 {?}
assign (resid 3 and name HA) (resid 6 and name HN) 5.0 3.2 0.0 ! peak: 471 volume: 19.82 intensity: 1.44 occur:2.0 {?}
assign (resid 3 and name HA) (resid 6 and name HB#) 5.0 3.2 1.0 ! peak: 481 volume: 26.07 intensity: 4.36 occur:2.0 {?}
assign (resid 3 and name HA) (resid 6 and name HG#) 5.0 3.2 1.0 ! peak: 484 volume: 17.03 intensity: 2.45 occur:1.0 {?}
assign (resid 3 and name HA) (resid 7 and name HN) 5.0 3.2 0.0 ! peak: 486 volume: 16.09 intensity: 1.76 occur:2.0 {?}
assign (resid 4 and name HA) (resid 7 and name HA) 5.0 3.2 0.0 ! peak: 117 volume: 2.78 intensity: 0.75 occur:1.1 {?}
assign (resid 4 and name HA) (resid 7 and name HN) 3.4 1.6 0.0 ! peak: 206 volume: 109.08 intensity: 5.78 occur:2.0 {?}
assign (resid 4 and name HA) (resid 6 and name HB#) 5.0 3.2 1.0 ! peak: 456 volume: 5.88 intensity: 0.66 occur:1.0 {?}
assign (resid 4 and name HN) (resid 7 and name HA) 5.0 3.2 0.0 ! peak: 662 volume: 8.73 intensity: 0.81 occur:1.0 {?}
assign (resid 4 and name HA) (resid 8 and name HG##) 5.0 3.2 3.0 ! peak: 688 volume: 1.71 intensity: 0.29 occur:1.0 {?}
assign (resid 6 and name HG#) (resid 9 and name HB#) 5.0 3.2 2.0 ! peak: 277 volume: 13.29 intensity: 1.40 occur:2.0 {?}
assign (resid 6 and name HN) (resid 9 and name HB#) 5.0 3.2 1.0 ! peak: 474 volume: 0.64 intensity: 0.32 occur:2.0 {?}
assign (resid 6 and name HB#) (resid 9 and name HN) 5.0 3.2 1.0 ! peak: 479 volume: 1.04 intensity: 0.39 occur:1.0 {?}
assign (resid 6 and name HG#) (resid 9 and name HN) 5.0 3.2 1.0 ! peak: 641 volume: 2.96 intensity: 1.04 occur:1.0 {?}
assign (resid 6 and name HN) (resid 8 and name HG##) 5.0 3.2 3.0 ! peak: 659 volume: 2.13 intensity: 0.21 occur:1.1 {?}
assign (resid 6 and name HB#) (resid 10 and name HD#) 5.0 3.2 2.0 ! peak: 663 volume: 2.55 intensity: 0.47 occur:1.0 {careful}
assign (resid 6 and name HG#) (resid 10 and name HN) 5.0 3.2 1.0 ! peak: 671 volume: 5.43 intensity: 0.50 occur:1.0 {?}
assign (resid 6 and name HG#) (resid 10 and name HD#) 5.0 3.2 2.0 ! peak: 675 volume: 2.62 intensity: 0.62 occur:2.0 {?}
assign (resid 6 and name HG#) (resid 10 and name HE) 5.0 3.2 1.0 ! peak: 676 volume: 1.28 intensity: 0.50 occur:1.0 {?}
assign (resid 7 and name HN) (resid 10 and name HN) 5.0 3.2 0.0 ! peak: 216 volume: 10.77 intensity: 3.56 occur:1.0 {?}
assign (resid 7 and name HN) (resid 9 and name HB#) 5.0 3.2 1.0 ! peak: 489 volume: 13.76 intensity: 1.15 occur:1.0 {?}
assign (resid 7 and name HN) (resid 9 and name HN) 5.0 3.2 0.0 ! peak: 490 volume: 21.48 intensity: 7.20 occur:1.0 {?}
assign (resid 7 and name HN) (resid 10 and name HB#) 5.0 3.2 1.0 ! peak: 508 volume: 30.13 intensity: 2.61 occur:1.0 {?}
assign (resid 7 and name HN) (resid 10 and name HD#) 5.0 3.2 1.0 ! peak: 665 volume: 4.93 intensity: 0.53 occur:1.0 {?}
assign (resid 8 and name HA) (resid 11 and name HN) 3.4 1.6 0.0 ! peak: 8 volume: 115.51 intensity: 5.56 occur:2.0 {?}
assign (resid 8 and name HN) (resid 10 and name HN) 3.4 1.6 0.0 ! peak: 15 volume: 64.35 intensity: 3.20 occur:2.0 {?}
assign (resid 8 and name HA) (resid 12 and name HN) 5.0 3.2 0.0 ! peak: 244 volume: 50.10 intensity: 2.21 occur:2.0 {?}
assign (resid 9 and name HA) (resid 12 and name HN) 3.4 1.6 0.0 ! peak: 339 volume: 103.16 intensity: 5.27 occur:1.1 {?}
assign (resid 9 and name HB#) (resid 12 and name HN) 5.0 3.2 1.0 ! peak: 670 volume: 0.33 intensity: 0.33 occur:2.0 {?}
assign (resid 10 and name HG#) (resid 13 and name HA) 2.8 1.0 1.0 ! peak: 553 volume: 378.27 intensity: 17.91 occur:1.0 {?}
assign (resid 10 and name HG#) (resid 12 and name HA) 5.0 3.2 1.0 ! peak: 578 volume: 75.41 intensity: 7.21 occur:1.0 {?} !loosened on notch
assign (resid 11 and name HN) (resid 14 and name HA) 5.0 3.2 0.0 ! peak: 427 volume: 16.26 intensity: 1.41 occur:1.0 {?}
assign (resid 11 and name HD##) (resid 16 and name HN) 5.0 3.2 3.0 ! peak: 517 volume: 5.45 intensity: 0.92 occur:1.0 {?}
assign (resid 11 and name HN) (resid 13 and name HN) 5.0 3.2 0.0 ! peak: 597 volume: 45.98 intensity: 9.62 occur:2.0 {?}
assign (resid 11 and name HA) (resid 14 and name HB#) 2.8 1.0 1.0 ! peak: 598 volume: 196.69 intensity: 18.23 occur:1.0 {careful}
assign (resid 11 and name HA) (resid 14 and name HD#) 5.0 3.2 1.0 ! peak: 681 volume: 5.74 intensity: 1.93 occur:2.0 {?}
assign (resid 12 and name HA) (resid 16 and name HN) 5.0 3.2 0.0 ! peak: 381 volume: 20.81 intensity: 1.25 occur:2.0 {?}
assign (resid 12 and name HG##) (resid 16 and name HB#) 5.0 3.2 4.0 ! peak: 391 volume: 4.77 intensity: 0.63 occur:2.2 {?}
assign (resid 12 and name HN) (resid 14 and name HN) 5.0 3.2 0.0 ! peak: 417 volume: 15.93 intensity: 0.87 occur:1.1 {?}
assign (resid 12 and name HG##) (resid 16 and name HN) 5.0 3.2 3.0 ! peak: 518 volume: 3.07 intensity: 0.42 occur:1.0 {?}
assign (resid 12 and name HA) (resid 15 and name HB2) 5.0 3.2 0.0 ! peak: 575 volume: 10.28 intensity: 1.47 occur:2.0 {?}
assign (resid 12 and name HA) (resid 15 and name HB1) 5.0 3.2 0.0 ! peak: 576 volume: 21.50 intensity: 2.91 occur:2.0 {?}
assign (resid 13 and name HB#) (resid 16 and name HA) 2.8 1.0 1.0 ! peak: 112 volume: 210.43 intensity: 11.98 occur:1.0 {?}
assign (resid 13 and name HA) (resid 16 and name HN) 5.0 3.2 0.0 ! peak: 382 volume: 35.07 intensity: 3.99 occur:2.0 {?}
assign (resid 13 and name HA) (resid 16 and name HB#) 3.4 1.6 1.0 ! peak: 390 volume: 66.69 intensity: 7.05 occur:2.0 {?}
assign (resid 13 and name HB#) (resid 16 and name HN) 5.0 3.2 1.0 ! peak: 519 volume: 7.64 intensity: 0.84 occur:1.0 {?}
assign (resid 14 and name HN) (resid 16 and name HN) 3.4 1.6 0.0 ! peak: 16 volume: 108.00 intensity: 6.05 occur:1.0 {?}
assign (resid 14 and name HB#) (resid 16 and name HN) 5.0 3.2 1.0 ! peak: 386 volume: 15.71 intensity: 0.88 occur:1.0 {?}
assign (resid 14 and name HG#) (resid 16 and name HN) 5.0 3.2 1.0 ! peak: 387 volume: 36.43 intensity: 1.40 occur:1.0 {?}
assign (resid 14 and name HA) (resid 16 and name HN) 5.0 3.2 0.0 ! peak: 514 volume: 3.85 intensity: 3.85 occur:2.0 {?}
! Ambiguous (these were added only in the refinement stage : initially a large set of structures that fulfilled the unambiguous restranints
! and widely sampled conformational space were generated, then a subset of these structures were choosen that also fulfilled the
! ambiguous restraints, then these structures were refined using the ambiguous restraints as follows)
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