NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
513946 |
2xxs   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2xxs
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 572
_Distance_constraint_stats_list.Viol_count 2505
_Distance_constraint_stats_list.Viol_total 14830.756
_Distance_constraint_stats_list.Viol_max 1.211
_Distance_constraint_stats_list.Viol_rms 0.1499
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0648
_Distance_constraint_stats_list.Viol_average_violations_only 0.2960
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASN 3.830 0.492 14 0 "[ . 1 . 2]"
1 4 LEU 14.874 0.686 17 2 "[ . 1 -. + 2]"
1 5 ALA 9.258 0.686 17 2 "[ . 1 -. + 2]"
1 6 PRO 0.167 0.167 15 0 "[ . 1 . 2]"
1 7 PHE 40.728 1.211 13 19 "[************+-** ***]"
1 8 ARG 9.186 0.512 15 2 "[ . 1 -+ 2]"
1 9 LEU 22.967 0.456 17 0 "[ . 1 . 2]"
1 10 LEU 21.317 0.456 17 0 "[ . 1 . 2]"
1 11 VAL 17.019 0.445 20 0 "[ . 1 . 2]"
1 12 LYS 3.560 0.293 15 0 "[ . 1 . 2]"
1 13 LEU 18.130 0.982 20 19 "[ *-****************+]"
1 14 THR 22.528 0.982 20 19 "[ *-****************+]"
1 15 ASN 0.870 0.071 14 0 "[ . 1 . 2]"
1 16 GLY 7.499 0.491 20 0 "[ . 1 . 2]"
1 17 VAL 13.688 0.471 18 0 "[ . 1 . 2]"
1 18 GLY 13.960 0.471 18 0 "[ . 1 . 2]"
1 19 ASP 1.958 0.152 19 0 "[ . 1 . 2]"
1 20 GLU 15.701 0.555 14 11 "[ **. **** *+. * -*]"
1 21 PHE 18.857 0.555 14 11 "[ **. **** *+. * -*]"
1 22 PRO 0.018 0.018 13 0 "[ . 1 . 2]"
1 23 LEU 34.266 1.211 13 14 "[*** ******* + - **]"
1 24 TYR 29.916 0.776 5 19 "[****+*********** -**]"
1 25 TYR 7.120 0.450 4 0 "[ . 1 . 2]"
1 26 GLY 32.165 0.818 10 14 "[** .** +** ******-]"
1 27 ASN 29.149 0.507 14 1 "[ . 1 +. 2]"
1 28 ASN 25.805 0.614 7 5 "[ *. + 1 * -. * 2]"
1 29 LEU 18.743 0.665 20 10 "[** ** *1 * *-* +]"
1 30 ILE 22.577 0.665 20 10 "[** ** *1 * *-* +]"
1 31 VAL 27.232 0.816 3 20 [**+******-**********]
1 32 LEU 17.830 0.816 3 20 [**+-****************]
1 33 GLY 9.548 0.265 7 0 "[ . 1 . 2]"
1 34 ARG 13.669 0.685 16 19 [**************.+***-]
1 35 THR 15.432 0.554 2 5 "[ + *. -* * . 2]"
1 36 ILE 7.033 0.529 14 1 "[ . 1 +. 2]"
1 37 GLU 20.460 0.554 2 6 "[ + *. -* * *. 2]"
1 38 THR 4.916 0.420 4 0 "[ . 1 . 2]"
1 39 LEU 25.776 0.669 19 9 "[ .*- ** * ** * +2]"
1 40 GLU 18.050 0.669 19 9 "[ .*- ** * ** * +2]"
1 41 PHE 10.793 0.552 19 4 "[ - . * . +*]"
1 42 GLY 12.517 0.552 19 4 "[ - . * . +*]"
1 43 ASN 2.900 0.532 10 1 "[ . + . 2]"
1 44 ASP 7.962 0.409 9 0 "[ . 1 . 2]"
1 45 ASN 11.906 0.409 9 0 "[ . 1 . 2]"
1 46 PHE 3.944 0.387 10 0 "[ . 1 . 2]"
1 47 PRO 6.455 0.486 15 0 "[ . 1 . 2]"
1 48 GLU 13.874 0.499 15 0 "[ . 1 . 2]"
1 49 ASN 20.309 0.614 5 10 "[** +* ** *.*- *]"
1 50 ILE 13.940 0.614 5 10 "[** +* ** *.*- *]"
1 51 ILE 18.893 0.417 19 0 "[ . 1 . 2]"
1 52 PRO 5.678 0.379 8 0 "[ . 1 . 2]"
1 53 VAL 18.498 0.686 13 20 [*********-**+*******]
1 54 THR 26.523 0.686 13 20 [************+-******]
1 55 ASP 17.124 0.590 14 2 "[ . 1 - +. 2]"
1 56 SER 22.004 0.590 14 14 "[ * -********+.*** 2]"
1 57 LYS 17.233 0.566 16 14 "[ * -*********.+** 2]"
1 58 SER 7.780 0.407 9 0 "[ . 1 . 2]"
1 59 ASP 22.664 0.685 16 19 [**************.+***-]
1 60 GLY 20.958 0.554 7 18 "[-*****+* 1**********]"
1 61 ILE 26.244 0.578 10 18 "[-** **** +**********]"
1 62 ILE 20.642 0.578 10 6 "[ * * *- + . * 2]"
1 63 TYR 13.635 0.459 15 0 "[ . 1 . 2]"
1 64 LEU 24.039 0.614 7 4 "[ *. + 1 * . - 2]"
1 65 THR 19.994 0.605 2 6 "[*+* . 1* . -*2]"
1 66 ILE 22.747 0.818 10 12 "[*** .** +** ***- 2]"
1 67 SER 33.546 0.664 8 17 "[** *.**+** ********-]"
1 68 LYS 14.548 0.607 4 7 "[* +. - *1 .* **2]"
1 69 ASP 7.623 0.569 9 3 "[* . - +1 . 2]"
1 70 ASN 16.400 0.607 4 3 "[ +. 1 .- *2]"
1 71 ILE 14.871 0.664 8 16 "[-* *.**+*1 *********]"
1 72 CYS 6.031 0.455 2 0 "[ . 1 . 2]"
1 73 GLN 3.258 0.435 2 0 "[ . 1 . 2]"
1 74 PHE 6.304 0.513 1 2 "[+ . - . 2]"
1 75 SER 12.936 0.391 14 0 "[ . 1 . 2]"
1 76 ASP 23.815 0.479 19 0 "[ . 1 . 2]"
1 77 GLU 8.071 0.358 9 0 "[ . 1 . 2]"
1 78 LYS 13.929 0.459 19 0 "[ . 1 . 2]"
1 79 GLY 16.162 0.423 10 0 "[ . 1 . 2]"
1 80 GLU 8.784 0.376 8 0 "[ . 1 . 2]"
1 81 GLN 18.943 0.518 18 4 "[ . 1 * .- +*2]"
1 82 ILE 12.683 0.518 18 6 "[* . - * .* +*2]"
1 83 ASP 4.611 0.349 17 0 "[ . 1 . 2]"
1 84 ILE 14.356 0.464 9 0 "[ . 1 . 2]"
1 85 ASN 15.285 0.495 1 0 "[ . 1 . 2]"
1 86 SER 0.016 0.016 10 0 "[ . 1 . 2]"
1 87 GLN 10.185 0.614 15 6 "[- . ** *+* 2]"
1 88 PHE 16.427 0.614 15 6 "[- . ** *+* 2]"
1 89 ASN 11.981 0.348 15 0 "[ . 1 . 2]"
1 90 SER 23.812 0.495 1 0 "[ . 1 . 2]"
1 91 PHE 20.513 0.617 6 1 "[ .+ 1 . 2]"
1 92 GLU 14.346 0.617 6 1 "[ .+ 1 . 2]"
1 93 TYR 15.082 0.442 15 0 "[ . 1 . 2]"
1 94 ASP 11.567 0.492 15 0 "[ . 1 . 2]"
1 95 GLY 8.937 0.492 15 0 "[ . 1 . 2]"
1 96 ILE 12.395 0.459 19 0 "[ . 1 . 2]"
1 97 SER 6.298 0.459 19 0 "[ . 1 . 2]"
1 98 PHE 10.008 0.540 13 8 "[ ** ** *+ . * -]"
1 99 HIS 19.629 0.604 4 14 "[ +** ****** **** -]"
1 100 LEU 7.035 0.604 4 6 "[ +. * 1* **- 2]"
1 101 LYS 5.214 0.425 5 0 "[ . 1 . 2]"
1 102 ASN 0.004 0.004 8 0 "[ . 1 . 2]"
1 103 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLU 0.534 0.534 10 1 "[ . + . 2]"
1 106 ASP 6.207 0.534 10 2 "[ . + - 2]"
1 107 LYS 5.673 0.504 15 1 "[ . 1 + 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ASN HA 1 4 LEU H . . 2.590 2.676 2.267 3.082 0.492 14 0 "[ . 1 . 2]" 1
2 1 3 ASN HA 1 24 TYR QD . . 6.340 4.845 4.130 4.992 . 0 0 "[ . 1 . 2]" 1
3 1 3 ASN QD 1 24 TYR HA . . 4.540 4.378 3.865 4.833 0.293 17 0 "[ . 1 . 2]" 1
4 1 4 LEU H 1 5 ALA H . . 3.860 4.323 4.267 4.546 0.686 17 2 "[ . 1 -. + 2]" 1
5 1 4 LEU HA 1 5 ALA H . . 2.550 2.177 2.176 2.185 . 0 0 "[ . 1 . 2]" 1
6 1 4 LEU HA 1 24 TYR HA . . 2.130 1.974 1.887 2.079 . 0 0 "[ . 1 . 2]" 1
7 1 4 LEU HA 1 24 TYR HB3 . . 3.350 3.442 3.202 3.589 0.239 2 0 "[ . 1 . 2]" 1
8 1 4 LEU HA 1 24 TYR QD . . 5.680 3.296 2.960 3.726 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU HA 1 24 TYR QE . . 6.040 4.569 4.302 5.216 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU HA 1 25 TYR H . . 3.640 3.145 2.057 3.438 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU HG 1 24 TYR HA . . 4.090 2.833 2.633 4.436 0.346 17 0 "[ . 1 . 2]" 1
12 1 4 LEU HG 1 24 TYR QE . . 7.150 3.655 3.374 4.809 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU MD1 1 22 PRO HG3 . . 5.340 4.117 3.680 4.446 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU MD1 1 24 TYR HA . . 4.790 4.151 3.603 4.302 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU MD1 1 24 TYR QE . . 7.810 2.259 1.850 3.653 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU MD2 1 22 PRO HG3 . . 5.200 4.286 3.690 4.472 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU MD2 1 24 TYR HA . . 4.570 3.778 3.308 4.068 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU MD2 1 24 TYR QD . . 7.820 3.913 3.128 4.297 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU MD2 1 24 TYR QE . . 7.810 3.682 2.370 4.275 . 0 0 "[ . 1 . 2]" 1
20 1 5 ALA H 1 24 TYR HB3 . . 4.880 4.179 3.914 4.854 . 0 0 "[ . 1 . 2]" 1
21 1 5 ALA HA 1 6 PRO HD3 . . 2.910 2.073 1.936 2.205 . 0 0 "[ . 1 . 2]" 1
22 1 5 ALA HA 1 25 TYR QD . . 6.420 2.747 2.322 4.316 . 0 0 "[ . 1 . 2]" 1
23 1 5 ALA HA 1 25 TYR QE . . 6.230 3.299 2.896 4.841 . 0 0 "[ . 1 . 2]" 1
24 1 5 ALA MB 1 6 PRO HD3 . . 3.940 2.800 2.571 3.253 . 0 0 "[ . 1 . 2]" 1
25 1 5 ALA MB 1 7 PHE QR . . 7.820 2.424 1.862 3.423 . 0 0 "[ . 1 . 2]" 1
26 1 5 ALA MB 1 25 TYR H . . 5.470 2.547 2.079 3.283 . 0 0 "[ . 1 . 2]" 1
27 1 5 ALA MB 1 25 TYR HA . . 4.570 2.596 2.291 3.545 . 0 0 "[ . 1 . 2]" 1
28 1 5 ALA MB 1 25 TYR QD . . 7.370 2.528 1.878 2.818 . 0 0 "[ . 1 . 2]" 1
29 1 5 ALA MB 1 25 TYR QE . . 7.250 2.830 2.210 3.250 . 0 0 "[ . 1 . 2]" 1
30 1 6 PRO HA 1 7 PHE H . . 2.870 2.708 2.647 3.037 0.167 15 0 "[ . 1 . 2]" 1
31 1 6 PRO HD3 1 25 TYR QE . . 6.230 2.456 1.984 4.675 . 0 0 "[ . 1 . 2]" 1
32 1 7 PHE H 1 8 ARG H . . 4.010 4.443 4.402 4.522 0.512 15 2 "[ . 1 -+ 2]" 1
33 1 7 PHE H 1 23 LEU HB3 . . 4.660 4.306 3.404 5.871 1.211 13 6 "[ * - *1 + . **]" 1
34 1 7 PHE H 1 23 LEU HG . . 3.640 3.760 3.095 4.348 0.708 2 8 "[*+ .*** ** - 2]" 1
35 1 7 PHE H 1 24 TYR HA . . 5.040 5.652 5.411 5.816 0.776 5 19 "[****+*********** -**]" 1
36 1 7 PHE HA 1 8 ARG H . . 2.710 2.522 2.402 2.699 . 0 0 "[ . 1 . 2]" 1
37 1 7 PHE HA 1 23 LEU HG . . 4.090 4.464 4.283 4.587 0.497 13 0 "[ . 1 . 2]" 1
38 1 7 PHE HA 1 23 LEU QD . . 7.000 3.873 3.310 4.250 . 0 0 "[ . 1 . 2]" 1
39 1 7 PHE HA 1 102 ASN HA . . 2.390 2.151 1.946 2.394 0.004 8 0 "[ . 1 . 2]" 1
40 1 7 PHE HB3 1 8 ARG H . . 3.360 2.444 2.096 2.727 . 0 0 "[ . 1 . 2]" 1
41 1 7 PHE HB3 1 23 LEU HG . . 3.430 2.618 1.931 3.824 0.394 13 0 "[ . 1 . 2]" 1
42 1 7 PHE HB3 1 23 LEU QD . . 6.230 2.315 1.737 3.166 . 0 0 "[ . 1 . 2]" 1
43 1 7 PHE QR 1 8 ARG H . . 7.980 3.597 2.920 4.163 . 0 0 "[ . 1 . 2]" 1
44 1 7 PHE QR 1 66 ILE MD . . 7.820 3.011 1.818 4.386 . 0 0 "[ . 1 . 2]" 1
45 1 7 PHE QR 1 102 ASN HA . . 7.050 2.842 1.958 4.260 . 0 0 "[ . 1 . 2]" 1
46 1 8 ARG H 1 23 LEU HG . . 4.540 4.079 3.467 4.793 0.253 14 0 "[ . 1 . 2]" 1
47 1 8 ARG H 1 23 LEU QD . . 7.510 3.437 2.454 4.399 . 0 0 "[ . 1 . 2]" 1
48 1 8 ARG HA 1 9 LEU H . . 2.500 2.342 2.226 2.449 . 0 0 "[ . 1 . 2]" 1
49 1 9 LEU H 1 10 LEU H . . 4.140 4.573 4.514 4.596 0.456 17 0 "[ . 1 . 2]" 1
50 1 9 LEU H 1 21 PHE H . . 3.020 3.081 2.617 3.429 0.409 15 0 "[ . 1 . 2]" 1
51 1 9 LEU H 1 21 PHE HB3 . . 5.500 4.518 3.952 4.912 . 0 0 "[ . 1 . 2]" 1
52 1 9 LEU H 1 21 PHE QR . . 7.980 5.028 4.367 5.501 . 0 0 "[ . 1 . 2]" 1
53 1 9 LEU H 1 100 LEU QD . . 6.830 3.608 2.987 4.204 . 0 0 "[ . 1 . 2]" 1
54 1 9 LEU HA 1 10 LEU H . . 2.390 2.317 2.206 2.391 0.001 9 0 "[ . 1 . 2]" 1
55 1 9 LEU HA 1 100 LEU HA . . 2.650 2.341 2.085 2.557 . 0 0 "[ . 1 . 2]" 1
56 1 9 LEU HA 1 101 LYS H . . 3.330 3.590 3.315 3.755 0.425 5 0 "[ . 1 . 2]" 1
57 1 9 LEU HB3 1 10 LEU H . . 3.610 3.190 2.846 3.967 0.357 19 0 "[ . 1 . 2]" 1
58 1 9 LEU HB3 1 21 PHE HB3 . . 4.870 4.845 3.444 5.240 0.370 20 0 "[ . 1 . 2]" 1
59 1 9 LEU HB3 1 21 PHE QR . . 7.980 4.381 3.695 5.567 . 0 0 "[ . 1 . 2]" 1
60 1 9 LEU MD1 1 21 PHE QR . . 8.900 3.774 2.124 4.862 . 0 0 "[ . 1 . 2]" 1
61 1 9 LEU MD1 1 51 ILE MD . . 6.820 3.615 2.832 4.336 . 0 0 "[ . 1 . 2]" 1
62 1 9 LEU MD2 1 10 LEU H . . 4.820 3.991 1.762 4.560 . 0 0 "[ . 1 . 2]" 1
63 1 9 LEU MD2 1 21 PHE QR . . 9.010 4.542 1.901 5.807 . 0 0 "[ . 1 . 2]" 1
64 1 9 LEU MD2 1 98 PHE QD . . 7.170 4.657 2.782 6.371 . 0 0 "[ . 1 . 2]" 1
65 1 10 LEU H 1 11 VAL H . . 4.040 4.295 4.098 4.404 0.364 13 0 "[ . 1 . 2]" 1
66 1 10 LEU H 1 99 HIS H . . 3.140 2.572 2.303 2.789 . 0 0 "[ . 1 . 2]" 1
67 1 10 LEU HA 1 11 VAL H . . 2.320 2.235 2.176 2.303 . 0 0 "[ . 1 . 2]" 1
68 1 10 LEU HA 1 20 GLU HA . . 2.390 2.219 1.990 2.434 0.044 13 0 "[ . 1 . 2]" 1
69 1 10 LEU HA 1 21 PHE H . . 3.670 3.510 3.178 3.975 0.305 13 0 "[ . 1 . 2]" 1
70 1 10 LEU HB3 1 11 VAL H . . 3.210 3.445 3.026 3.647 0.437 1 0 "[ . 1 . 2]" 1
71 1 10 LEU HB3 1 99 HIS HD2 . . 4.320 2.769 1.868 4.241 . 0 0 "[ . 1 . 2]" 1
72 1 10 LEU MD1 1 20 GLU HA . . 5.010 3.973 3.027 4.438 . 0 0 "[ . 1 . 2]" 1
73 1 10 LEU MD1 1 99 HIS H . . 6.400 4.757 4.062 5.208 . 0 0 "[ . 1 . 2]" 1
74 1 10 LEU MD1 1 99 HIS HD2 . . 4.830 3.121 2.002 4.243 . 0 0 "[ . 1 . 2]" 1
75 1 10 LEU MD2 1 99 HIS H . . 6.400 5.226 4.730 5.484 . 0 0 "[ . 1 . 2]" 1
76 1 10 LEU MD2 1 99 HIS HD2 . . 3.940 3.160 2.135 3.605 . 0 0 "[ . 1 . 2]" 1
77 1 11 VAL H 1 19 ASP H . . 3.360 2.717 2.299 3.133 . 0 0 "[ . 1 . 2]" 1
78 1 11 VAL H 1 20 GLU HA . . 3.300 3.400 2.805 3.745 0.445 20 0 "[ . 1 . 2]" 1
79 1 11 VAL HA 1 98 PHE HA . . 2.390 2.305 2.175 2.441 0.051 7 0 "[ . 1 . 2]" 1
80 1 11 VAL HA 1 98 PHE QE . . 7.550 5.005 4.386 5.331 . 0 0 "[ . 1 . 2]" 1
81 1 11 VAL HA 1 99 HIS H . . 3.670 3.807 3.633 4.013 0.343 3 0 "[ . 1 . 2]" 1
82 1 11 VAL HB 1 21 PHE QR . . 7.350 3.027 2.088 4.618 . 0 0 "[ . 1 . 2]" 1
83 1 11 VAL MG1 1 19 ASP HB3 . . 5.380 4.571 4.242 4.736 . 0 0 "[ . 1 . 2]" 1
84 1 11 VAL MG1 1 21 PHE QR . . 9.010 3.912 2.847 5.142 . 0 0 "[ . 1 . 2]" 1
85 1 11 VAL MG1 1 51 ILE MD . . 6.850 4.706 4.354 4.875 . 0 0 "[ . 1 . 2]" 1
86 1 11 VAL MG1 1 96 ILE MG . . 5.150 1.799 1.629 3.068 . 0 0 "[ . 1 . 2]" 1
87 1 11 VAL MG1 1 98 PHE HA . . 4.570 3.569 3.281 3.823 . 0 0 "[ . 1 . 2]" 1
88 1 11 VAL MG1 1 98 PHE QD . . 7.470 3.341 2.600 3.954 . 0 0 "[ . 1 . 2]" 1
89 1 11 VAL MG1 1 98 PHE QE . . 7.020 2.990 1.992 3.654 . 0 0 "[ . 1 . 2]" 1
90 1 11 VAL MG2 1 19 ASP HB3 . . 5.120 3.892 3.402 4.381 . 0 0 "[ . 1 . 2]" 1
91 1 11 VAL MG2 1 21 PHE QR . . 7.160 2.509 1.705 3.954 . 0 0 "[ . 1 . 2]" 1
92 1 11 VAL MG2 1 51 ILE MD . . 6.740 3.217 2.817 3.536 . 0 0 "[ . 1 . 2]" 1
93 1 11 VAL MG2 1 98 PHE HA . . 4.460 3.091 2.669 3.459 . 0 0 "[ . 1 . 2]" 1
94 1 11 VAL MG2 1 98 PHE QD . . 6.690 2.276 1.893 2.794 . 0 0 "[ . 1 . 2]" 1
95 1 11 VAL MG2 1 98 PHE QE . . 6.840 2.826 2.193 3.538 . 0 0 "[ . 1 . 2]" 1
96 1 12 LYS H 1 96 ILE MG . . 4.950 3.185 2.855 4.687 . 0 0 "[ . 1 . 2]" 1
97 1 12 LYS H 1 97 SER H . . 3.140 2.996 2.620 3.292 0.152 19 0 "[ . 1 . 2]" 1
98 1 12 LYS H 1 98 PHE HA . . 3.550 3.355 3.119 3.607 0.057 14 0 "[ . 1 . 2]" 1
99 1 12 LYS HA 1 13 LEU QD . . 5.660 2.913 2.685 3.272 . 0 0 "[ . 1 . 2]" 1
100 1 12 LYS HA 1 18 GLY QA . . 3.310 1.884 1.689 1.947 . 0 0 "[ . 1 . 2]" 1
101 1 12 LYS HB3 1 18 GLY HA2 . . 3.760 3.310 2.077 3.636 . 0 0 "[ . 1 . 2]" 1
102 1 12 LYS HB3 1 18 GLY HA3 . . 3.760 3.833 2.418 4.053 0.293 15 0 "[ . 1 . 2]" 1
103 1 12 LYS HG3 1 18 GLY HA2 . . 7.250 5.255 3.928 5.461 . 0 0 "[ . 1 . 2]" 1
104 1 12 LYS HG3 1 18 GLY HA3 . . 7.250 6.253 4.797 6.444 . 0 0 "[ . 1 . 2]" 1
105 1 13 LEU H 1 14 THR MG . . 6.530 5.385 5.224 5.544 . 0 0 "[ . 1 . 2]" 1
106 1 13 LEU H 1 17 VAL H . . 3.830 2.858 2.551 3.121 . 0 0 "[ . 1 . 2]" 1
107 1 13 LEU H 1 18 GLY QA . . 4.740 3.291 2.986 3.579 . 0 0 "[ . 1 . 2]" 1
108 1 13 LEU H 1 96 ILE MG . . 6.530 4.532 4.052 4.861 . 0 0 "[ . 1 . 2]" 1
109 1 13 LEU HA 1 14 THR H . . 2.900 2.409 2.351 2.546 . 0 0 "[ . 1 . 2]" 1
110 1 13 LEU HA 1 96 ILE HA . . 2.800 2.824 2.782 2.891 0.091 9 0 "[ . 1 . 2]" 1
111 1 13 LEU HA 1 96 ILE MG . . 4.270 3.173 1.972 3.452 . 0 0 "[ . 1 . 2]" 1
112 1 13 LEU HA 1 97 SER H . . 3.640 3.517 3.172 3.889 0.249 14 0 "[ . 1 . 2]" 1
113 1 13 LEU HG 1 14 THR H . . 3.110 3.872 3.584 4.092 0.982 20 19 "[ *-****************+]" 1
114 1 13 LEU HG 1 17 VAL H . . 5.310 4.936 2.156 5.542 0.232 16 0 "[ . 1 . 2]" 1
115 1 13 LEU MD1 1 14 THR H . . 5.600 4.116 3.933 4.517 . 0 0 "[ . 1 . 2]" 1
116 1 13 LEU MD1 1 18 GLY HA2 . . 7.600 4.092 3.311 5.616 . 0 0 "[ . 1 . 2]" 1
117 1 13 LEU MD1 1 18 GLY HA3 . . 7.600 5.460 4.712 6.668 . 0 0 "[ . 1 . 2]" 1
118 1 13 LEU MD1 1 55 ASP HB3 . . 4.230 3.020 2.091 3.250 . 0 0 "[ . 1 . 2]" 1
119 1 13 LEU MD2 1 14 THR H . . 5.600 4.676 4.515 4.782 . 0 0 "[ . 1 . 2]" 1
120 1 13 LEU MD2 1 18 GLY HA2 . . 7.600 4.888 2.905 5.448 . 0 0 "[ . 1 . 2]" 1
121 1 13 LEU MD2 1 18 GLY HA3 . . 7.600 6.005 4.110 6.516 . 0 0 "[ . 1 . 2]" 1
122 1 13 LEU MD2 1 55 ASP HB3 . . 4.230 2.618 1.794 3.322 . 0 0 "[ . 1 . 2]" 1
123 1 13 LEU QD 1 18 GLY QA . . 5.970 3.519 2.838 3.800 . 0 0 "[ . 1 . 2]" 1
124 1 13 LEU QD 1 55 ASP HB3 . . 3.830 2.438 1.698 2.854 . 0 0 "[ . 1 . 2]" 1
125 1 13 LEU QD 1 96 ILE MG . . 8.130 2.427 1.811 4.137 . 0 0 "[ . 1 . 2]" 1
126 1 14 THR H 1 15 ASN H . . 3.420 2.580 2.398 2.709 . 0 0 "[ . 1 . 2]" 1
127 1 14 THR H 1 16 GLY H . . 3.760 4.081 4.011 4.251 0.491 20 0 "[ . 1 . 2]" 1
128 1 14 THR HA 1 15 ASN H . . 3.450 3.493 3.473 3.521 0.071 14 0 "[ . 1 . 2]" 1
129 1 14 THR MG 1 15 ASN H . . 6.530 2.966 2.229 3.664 . 0 0 "[ . 1 . 2]" 1
130 1 14 THR MG 1 17 VAL H . . 6.530 5.495 5.246 5.696 . 0 0 "[ . 1 . 2]" 1
131 1 15 ASN HB3 1 17 VAL H . . 5.500 3.691 2.816 4.282 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLY H 1 17 VAL H . . 3.550 2.205 2.041 2.591 . 0 0 "[ . 1 . 2]" 1
133 1 16 GLY HA2 1 17 VAL H . . 3.480 3.110 3.076 3.152 . 0 0 "[ . 1 . 2]" 1
134 1 16 GLY HA3 1 17 VAL H . . 3.480 3.534 3.512 3.553 0.073 4 0 "[ . 1 . 2]" 1
135 1 17 VAL H 1 18 GLY H . . 4.110 4.559 4.526 4.581 0.471 18 0 "[ . 1 . 2]" 1
136 1 17 VAL HA 1 18 GLY H . . 3.140 2.475 2.358 2.543 . 0 0 "[ . 1 . 2]" 1
137 1 17 VAL HB 1 18 GLY H . . 3.300 3.319 3.085 3.761 0.461 20 0 "[ . 1 . 2]" 1
138 1 17 VAL MG1 1 18 GLY H . . 4.300 2.082 1.769 2.293 . 0 0 "[ . 1 . 2]" 1
139 1 17 VAL MG2 1 18 GLY H . . 4.300 4.067 3.609 4.188 . 0 0 "[ . 1 . 2]" 1
140 1 18 GLY QA 1 19 ASP H . . 3.160 2.191 2.169 2.242 . 0 0 "[ . 1 . 2]" 1
141 1 19 ASP HA 1 20 GLU H . . 2.430 2.500 2.260 2.582 0.152 19 0 "[ . 1 . 2]" 1
142 1 19 ASP HB3 1 21 PHE QR . . 7.280 2.522 1.949 3.489 . 0 0 "[ . 1 . 2]" 1
143 1 20 GLU H 1 21 PHE H . . 3.860 4.353 4.297 4.415 0.555 14 11 "[ **. **** *+. * -*]" 1
144 1 20 GLU HA 1 21 PHE H . . 2.470 2.288 2.201 2.455 . 0 0 "[ . 1 . 2]" 1
145 1 20 GLU HA 1 21 PHE QR . . 7.980 3.360 2.858 4.027 . 0 0 "[ . 1 . 2]" 1
146 1 21 PHE H 1 22 PRO HD3 . . 5.500 4.718 4.613 4.801 . 0 0 "[ . 1 . 2]" 1
147 1 21 PHE HA 1 22 PRO HG3 . . 4.320 4.278 4.250 4.308 . 0 0 "[ . 1 . 2]" 1
148 1 21 PHE HA 1 51 ILE MD . . 6.530 4.735 4.528 4.975 . 0 0 "[ . 1 . 2]" 1
149 1 21 PHE HB3 1 22 PRO HD3 . . 3.500 3.277 3.134 3.518 0.018 13 0 "[ . 1 . 2]" 1
150 1 21 PHE HB3 1 51 ILE MG . . 4.570 4.017 3.933 4.077 . 0 0 "[ . 1 . 2]" 1
151 1 21 PHE HB3 1 51 ILE HG13 . . 4.090 2.063 1.873 2.219 . 0 0 "[ . 1 . 2]" 1
152 1 21 PHE HB3 1 51 ILE MD . . 5.270 3.284 3.029 3.590 . 0 0 "[ . 1 . 2]" 1
153 1 21 PHE QR 1 22 PRO HD3 . . 7.980 3.338 2.819 3.636 . 0 0 "[ . 1 . 2]" 1
154 1 21 PHE QR 1 51 ILE MG . . 8.820 4.075 3.491 4.347 . 0 0 "[ . 1 . 2]" 1
155 1 21 PHE QR 1 51 ILE MD . . 7.420 2.302 2.188 2.531 . 0 0 "[ . 1 . 2]" 1
156 1 21 PHE QR 1 53 VAL MG1 . . 9.010 4.325 2.834 5.347 . 0 0 "[ . 1 . 2]" 1
157 1 21 PHE QR 1 53 VAL MG2 . . 9.010 4.053 3.107 4.740 . 0 0 "[ . 1 . 2]" 1
158 1 22 PRO HG3 1 24 TYR QE . . 7.370 4.063 3.638 4.743 . 0 0 "[ . 1 . 2]" 1
159 1 23 LEU H 1 24 TYR H . . 4.230 4.317 3.987 4.482 0.252 11 0 "[ . 1 . 2]" 1
160 1 23 LEU HA 1 24 TYR H . . 2.540 2.220 2.184 2.300 . 0 0 "[ . 1 . 2]" 1
161 1 23 LEU HB3 1 24 TYR H . . 4.110 4.346 4.233 4.503 0.393 17 0 "[ . 1 . 2]" 1
162 1 23 LEU HG 1 24 TYR H . . 4.110 4.458 4.046 4.870 0.760 5 6 "[ * + *1 - . **]" 1
163 1 23 LEU QD 1 24 TYR H . . 7.010 2.293 1.850 3.642 . 0 0 "[ . 1 . 2]" 1
164 1 23 LEU QD 1 28 ASN QD . . 6.000 2.300 1.701 4.164 . 0 0 "[ . 1 . 2]" 1
165 1 24 TYR HA 1 25 TYR H . . 2.520 2.314 2.266 2.448 . 0 0 "[ . 1 . 2]" 1
166 1 24 TYR HB3 1 25 TYR H . . 3.240 2.969 2.616 3.120 . 0 0 "[ . 1 . 2]" 1
167 1 25 TYR H 1 26 GLY H . . 4.150 4.506 4.447 4.600 0.450 4 0 "[ . 1 . 2]" 1
168 1 25 TYR HA 1 26 GLY H . . 2.590 2.190 2.186 2.205 . 0 0 "[ . 1 . 2]" 1
169 1 25 TYR HB3 1 26 GLY H . . 4.110 3.818 3.611 3.962 . 0 0 "[ . 1 . 2]" 1
170 1 25 TYR HB3 1 68 LYS HA . . 4.320 3.911 3.483 4.154 . 0 0 "[ . 1 . 2]" 1
171 1 25 TYR QD 1 26 GLY H . . 7.110 2.990 2.712 3.888 . 0 0 "[ . 1 . 2]" 1
172 1 25 TYR QD 1 66 ILE HB . . 6.380 3.754 3.129 4.905 . 0 0 "[ . 1 . 2]" 1
173 1 25 TYR QD 1 66 ILE MG . . 7.480 4.200 2.777 4.928 . 0 0 "[ . 1 . 2]" 1
174 1 25 TYR QD 1 66 ILE MD . . 6.600 2.906 2.061 4.239 . 0 0 "[ . 1 . 2]" 1
175 1 25 TYR QD 1 68 LYS HA . . 5.750 3.011 2.521 3.279 . 0 0 "[ . 1 . 2]" 1
176 1 25 TYR QE 1 66 ILE MG . . 7.250 4.593 2.903 5.082 . 0 0 "[ . 1 . 2]" 1
177 1 25 TYR QE 1 66 ILE MD . . 7.110 3.377 2.499 4.932 . 0 0 "[ . 1 . 2]" 1
178 1 25 TYR QE 1 68 LYS HA . . 5.520 2.853 2.471 3.452 . 0 0 "[ . 1 . 2]" 1
179 1 26 GLY H 1 65 THR HA . . 4.630 4.895 4.500 5.235 0.605 2 3 "[ + . 1- . *2]" 1
180 1 26 GLY H 1 66 ILE H . . 2.990 3.013 2.715 3.310 0.320 19 0 "[ . 1 . 2]" 1
181 1 26 GLY H 1 66 ILE HB . . 3.550 3.909 2.567 4.368 0.818 10 11 "[** .** +** ***- 2]" 1
182 1 26 GLY H 1 66 ILE MG . . 5.570 3.750 1.835 4.681 . 0 0 "[ . 1 . 2]" 1
183 1 26 GLY H 1 66 ILE MD . . 5.910 3.396 2.497 4.649 . 0 0 "[ . 1 . 2]" 1
184 1 26 GLY H 1 67 SER HA . . 3.640 4.084 3.888 4.167 0.527 17 3 "[ . 1 *. + -]" 1
185 1 26 GLY HA2 1 27 ASN H . . 3.140 2.934 2.923 2.948 . 0 0 "[ . 1 . 2]" 1
186 1 26 GLY HA3 1 27 ASN H . . 2.460 2.353 2.343 2.360 . 0 0 "[ . 1 . 2]" 1
187 1 27 ASN H 1 28 ASN H . . 4.110 4.508 4.349 4.617 0.507 14 1 "[ . 1 +. 2]" 1
188 1 27 ASN H 1 48 GLU H . . 3.270 3.649 3.258 3.738 0.468 20 0 "[ . 1 . 2]" 1
189 1 27 ASN H 1 48 GLU HB3 . . 4.880 4.003 3.426 4.764 . 0 0 "[ . 1 . 2]" 1
190 1 27 ASN HA 1 28 ASN H . . 2.710 2.274 2.252 2.337 . 0 0 "[ . 1 . 2]" 1
191 1 27 ASN HA 1 65 THR HA . . 2.350 2.225 1.954 2.342 . 0 0 "[ . 1 . 2]" 1
192 1 27 ASN HA 1 65 THR HB . . 3.650 3.975 3.777 4.077 0.427 15 0 "[ . 1 . 2]" 1
193 1 27 ASN HA 1 65 THR MG . . 3.940 1.984 1.815 2.416 . 0 0 "[ . 1 . 2]" 1
194 1 27 ASN HB3 1 28 ASN H . . 3.390 3.487 3.035 3.880 0.490 17 0 "[ . 1 . 2]" 1
195 1 27 ASN HB3 1 47 PRO HA . . 3.390 3.580 3.283 3.662 0.272 8 0 "[ . 1 . 2]" 1
196 1 27 ASN HB3 1 65 THR HA . . 4.870 4.332 3.995 4.541 . 0 0 "[ . 1 . 2]" 1
197 1 27 ASN HB3 1 65 THR MG . . 4.750 2.975 2.483 3.734 . 0 0 "[ . 1 . 2]" 1
198 1 28 ASN H 1 64 LEU HG . . 3.950 3.886 3.546 4.173 0.223 14 0 "[ . 1 . 2]" 1
199 1 28 ASN H 1 65 THR HA . . 3.420 2.177 1.931 2.421 . 0 0 "[ . 1 . 2]" 1
200 1 28 ASN HA 1 29 LEU H . . 2.490 2.444 2.252 2.478 . 0 0 "[ . 1 . 2]" 1
201 1 28 ASN HA 1 49 ASN H . . 3.550 2.527 2.214 2.857 . 0 0 "[ . 1 . 2]" 1
202 1 28 ASN HB3 1 29 LEU H . . 3.210 2.855 2.604 3.639 0.429 7 0 "[ . 1 . 2]" 1
203 1 28 ASN HB3 1 64 LEU H . . 4.570 4.859 4.297 5.184 0.614 7 4 "[ *. + 1 * . - 2]" 1
204 1 28 ASN HB3 1 64 LEU HG . . 2.950 3.286 3.173 3.363 0.413 18 0 "[ . 1 . 2]" 1
205 1 28 ASN QD 1 66 ILE MD . . 5.570 2.792 1.858 4.159 . 0 0 "[ . 1 . 2]" 1
206 1 29 LEU H 1 30 ILE H . . 4.110 4.431 4.364 4.591 0.481 7 0 "[ . 1 . 2]" 1
207 1 29 LEU H 1 49 ASN H . . 3.700 3.700 3.422 3.945 0.245 18 0 "[ . 1 . 2]" 1
208 1 29 LEU H 1 50 ILE HA . . 3.140 2.467 2.169 2.730 . 0 0 "[ . 1 . 2]" 1
209 1 29 LEU H 1 51 ILE H . . 3.760 3.798 3.506 4.174 0.414 7 0 "[ . 1 . 2]" 1
210 1 29 LEU H 1 63 TYR QD . . 6.520 6.216 5.332 6.846 0.326 10 0 "[ . 1 . 2]" 1
211 1 29 LEU HA 1 30 ILE H . . 2.390 2.340 2.282 2.366 . 0 0 "[ . 1 . 2]" 1
212 1 29 LEU HA 1 64 LEU H . . 3.360 2.636 2.408 2.827 . 0 0 "[ . 1 . 2]" 1
213 1 29 LEU HB3 1 30 ILE H . . 3.360 3.496 2.799 4.025 0.665 20 10 "[** ** *1 * *-* +]" 1
214 1 29 LEU HG 1 63 TYR QD . . 6.790 4.410 2.729 5.748 . 0 0 "[ . 1 . 2]" 1
215 1 29 LEU HG 1 63 TYR QE . . 6.780 4.751 3.296 5.939 . 0 0 "[ . 1 . 2]" 1
216 1 29 LEU MD1 1 63 TYR QD . . 6.150 3.366 2.285 4.562 . 0 0 "[ . 1 . 2]" 1
217 1 29 LEU MD1 1 63 TYR QE . . 7.480 2.980 1.841 4.565 . 0 0 "[ . 1 . 2]" 1
218 1 29 LEU MD2 1 63 TYR QD . . 7.850 3.837 1.872 5.291 . 0 0 "[ . 1 . 2]" 1
219 1 29 LEU MD2 1 63 TYR QE . . 8.070 3.906 2.408 5.018 . 0 0 "[ . 1 . 2]" 1
220 1 30 ILE H 1 61 ILE MG . . 4.920 3.488 3.076 4.114 . 0 0 "[ . 1 . 2]" 1
221 1 30 ILE H 1 62 ILE H . . 2.990 3.100 2.761 3.314 0.324 20 0 "[ . 1 . 2]" 1
222 1 30 ILE H 1 63 TYR QD . . 7.640 4.563 3.420 5.229 . 0 0 "[ . 1 . 2]" 1
223 1 30 ILE HA 1 31 VAL H . . 2.460 2.239 2.179 2.337 . 0 0 "[ . 1 . 2]" 1
224 1 30 ILE HA 1 51 ILE HB . . 4.210 4.534 4.455 4.627 0.417 19 0 "[ . 1 . 2]" 1
225 1 30 ILE HA 1 51 ILE MD . . 4.710 3.983 3.807 4.065 . 0 0 "[ . 1 . 2]" 1
226 1 30 ILE HB 1 62 ILE H . . 3.640 3.294 2.838 3.768 0.128 18 0 "[ . 1 . 2]" 1
227 1 30 ILE HB 1 62 ILE MD . . 4.570 3.640 3.379 3.913 . 0 0 "[ . 1 . 2]" 1
228 1 30 ILE MG 1 51 ILE MD . . 5.850 2.894 2.509 3.355 . 0 0 "[ . 1 . 2]" 1
229 1 31 VAL H 1 32 LEU H . . 3.830 4.528 4.328 4.646 0.816 3 19 "[**+ **********-*****]" 1
230 1 31 VAL H 1 51 ILE H . . 3.730 3.528 3.077 4.101 0.371 1 0 "[ . 1 . 2]" 1
231 1 31 VAL H 1 51 ILE MD . . 6.190 3.962 3.764 4.143 . 0 0 "[ . 1 . 2]" 1
232 1 31 VAL H 1 53 VAL H . . 3.670 3.862 3.349 4.234 0.564 8 3 "[ *. + - . 2]" 1
233 1 31 VAL HA 1 32 LEU H . . 2.490 2.289 2.183 2.360 . 0 0 "[ . 1 . 2]" 1
234 1 31 VAL HA 1 61 ILE HA . . 2.350 2.553 2.401 2.624 0.274 19 0 "[ . 1 . 2]" 1
235 1 31 VAL HA 1 61 ILE MG . . 5.120 3.079 2.327 4.091 . 0 0 "[ . 1 . 2]" 1
236 1 31 VAL HA 1 61 ILE MD . . 4.460 2.965 1.765 3.937 . 0 0 "[ . 1 . 2]" 1
237 1 31 VAL HA 1 62 ILE H . . 3.240 3.404 3.159 3.715 0.475 4 0 "[ . 1 . 2]" 1
238 1 31 VAL HB 1 36 ILE MD . . 4.050 3.270 3.003 3.454 . 0 0 "[ . 1 . 2]" 1
239 1 31 VAL HB 1 52 PRO HA . . 3.060 2.029 1.858 2.648 . 0 0 "[ . 1 . 2]" 1
240 1 31 VAL QG 1 35 THR HA . . 6.220 4.484 4.087 4.839 . 0 0 "[ . 1 . 2]" 1
241 1 31 VAL QG 1 35 THR HB . . 4.960 2.811 1.915 3.232 . 0 0 "[ . 1 . 2]" 1
242 1 31 VAL QG 1 35 THR MG . . 6.840 3.463 2.965 4.045 . 0 0 "[ . 1 . 2]" 1
243 1 31 VAL QG 1 36 ILE HA . . 5.180 2.427 1.918 2.912 . 0 0 "[ . 1 . 2]" 1
244 1 31 VAL QG 1 36 ILE HB . . 5.030 1.835 1.630 2.331 . 0 0 "[ . 1 . 2]" 1
245 1 31 VAL QG 1 36 ILE MG . . 7.240 2.361 1.787 3.191 . 0 0 "[ . 1 . 2]" 1
246 1 31 VAL QG 1 36 ILE HG13 . . 5.140 3.129 1.962 4.002 . 0 0 "[ . 1 . 2]" 1
247 1 31 VAL QG 1 52 PRO HA . . 5.590 2.108 1.898 2.847 . 0 0 "[ . 1 . 2]" 1
248 1 31 VAL QG 1 52 PRO HG3 . . 6.440 3.665 3.411 3.906 . 0 0 "[ . 1 . 2]" 1
249 1 31 VAL QG 1 52 PRO HD3 . . 5.550 3.843 3.211 4.367 . 0 0 "[ . 1 . 2]" 1
250 1 32 LEU H 1 53 VAL HB . . 5.500 4.862 4.602 5.235 . 0 0 "[ . 1 . 2]" 1
251 1 32 LEU H 1 60 GLY H . . 3.360 3.509 3.112 3.890 0.530 4 1 "[ +. 1 . 2]" 1
252 1 32 LEU H 1 60 GLY QA . . 4.240 4.216 4.136 4.302 0.062 10 0 "[ . 1 . 2]" 1
253 1 32 LEU H 1 61 ILE HA . . 3.550 2.564 2.001 2.881 . 0 0 "[ . 1 . 2]" 1
254 1 32 LEU H 1 61 ILE MG . . 6.310 4.261 3.704 4.926 . 0 0 "[ . 1 . 2]" 1
255 1 32 LEU HA 1 33 GLY H . . 3.020 2.194 2.175 2.257 . 0 0 "[ . 1 . 2]" 1
256 1 32 LEU HA 1 53 VAL HB . . 3.430 2.353 2.081 2.919 . 0 0 "[ . 1 . 2]" 1
257 1 32 LEU MD1 1 33 GLY H . . 5.320 2.442 2.077 3.101 . 0 0 "[ . 1 . 2]" 1
258 1 32 LEU MD1 1 59 ASP HA . . 4.460 3.193 2.162 3.920 . 0 0 "[ . 1 . 2]" 1
259 1 32 LEU MD2 1 33 GLY H . . 4.390 3.890 2.855 4.326 . 0 0 "[ . 1 . 2]" 1
260 1 33 GLY H 1 34 ARG H . . 4.630 4.605 4.428 4.665 0.035 7 0 "[ . 1 . 2]" 1
261 1 33 GLY H 1 35 THR H . . 4.630 4.728 4.468 4.841 0.211 9 0 "[ . 1 . 2]" 1
262 1 33 GLY H 1 53 VAL H . . 4.630 3.644 3.062 4.217 . 0 0 "[ . 1 . 2]" 1
263 1 33 GLY H 1 53 VAL HB . . 5.500 3.676 3.142 4.465 . 0 0 "[ . 1 . 2]" 1
264 1 33 GLY HA2 1 59 ASP HA . . 2.840 3.046 2.959 3.105 0.265 7 0 "[ . 1 . 2]" 1
265 1 33 GLY HA2 1 59 ASP HB3 . . 6.400 4.091 3.523 5.027 . 0 0 "[ . 1 . 2]" 1
266 1 33 GLY HA3 1 59 ASP HA . . 2.840 1.773 1.723 1.898 . 0 0 "[ . 1 . 2]" 1
267 1 33 GLY HA3 1 59 ASP HB3 . . 6.400 2.611 2.022 3.421 . 0 0 "[ . 1 . 2]" 1
268 1 33 GLY QA 1 34 ARG H . . 3.170 2.274 2.236 2.332 . 0 0 "[ . 1 . 2]" 1
269 1 33 GLY QA 1 36 ILE H . . 4.650 4.802 4.654 4.888 0.238 18 0 "[ . 1 . 2]" 1
270 1 33 GLY QA 1 59 ASP HA . . 2.600 1.761 1.713 1.877 . 0 0 "[ . 1 . 2]" 1
271 1 34 ARG H 1 35 THR H . . 2.800 2.507 2.410 2.555 . 0 0 "[ . 1 . 2]" 1
272 1 34 ARG H 1 36 ILE H . . 4.630 4.651 4.472 4.857 0.227 4 0 "[ . 1 . 2]" 1
273 1 34 ARG H 1 59 ASP HA . . 3.270 3.854 3.707 3.955 0.685 16 19 [**************.+***-] 1
274 1 34 ARG HA 1 35 THR H . . 3.270 3.316 3.286 3.382 0.112 9 0 "[ . 1 . 2]" 1
275 1 34 ARG HA 1 36 ILE MG . . 4.010 2.679 2.541 2.885 . 0 0 "[ . 1 . 2]" 1
276 1 34 ARG HA 1 37 GLU H . . 3.670 3.169 2.896 3.500 . 0 0 "[ . 1 . 2]" 1
277 1 35 THR H 1 36 ILE H . . 2.960 2.854 2.794 2.907 . 0 0 "[ . 1 . 2]" 1
278 1 35 THR H 1 37 GLU H . . 3.900 4.370 4.296 4.454 0.554 2 5 "[ + *. -* * . 2]" 1
279 1 35 THR H 1 59 ASP HA . . 4.110 4.108 3.846 4.280 0.170 1 0 "[ . 1 . 2]" 1
280 1 35 THR H 1 61 ILE MD . . 5.130 4.423 4.148 4.772 . 0 0 "[ . 1 . 2]" 1
281 1 35 THR HA 1 38 THR H . . 3.330 3.369 3.050 3.632 0.302 14 0 "[ . 1 . 2]" 1
282 1 35 THR MG 1 60 GLY H . . 5.070 3.135 1.904 4.356 . 0 0 "[ . 1 . 2]" 1
283 1 36 ILE H 1 37 GLU H . . 3.020 2.598 2.394 2.804 . 0 0 "[ . 1 . 2]" 1
284 1 36 ILE HA 1 39 LEU H . . 4.320 3.090 2.771 3.431 . 0 0 "[ . 1 . 2]" 1
285 1 36 ILE HA 1 39 LEU HB3 . . 2.910 2.456 1.940 3.120 0.210 16 0 "[ . 1 . 2]" 1
286 1 36 ILE HB 1 39 LEU QD . . 5.990 3.870 3.131 4.838 . 0 0 "[ . 1 . 2]" 1
287 1 36 ILE MG 1 37 GLU H . . 4.640 1.943 1.874 2.186 . 0 0 "[ . 1 . 2]" 1
288 1 36 ILE MG 1 54 THR MG . . 5.370 2.700 1.776 3.502 . 0 0 "[ . 1 . 2]" 1
289 1 36 ILE HG13 1 37 GLU H . . 4.540 4.443 3.576 5.069 0.529 14 1 "[ . 1 +. 2]" 1
290 1 36 ILE MD 1 37 GLU H . . 4.640 4.434 4.328 4.497 . 0 0 "[ . 1 . 2]" 1
291 1 36 ILE MD 1 52 PRO HG3 . . 4.640 2.299 1.807 2.803 . 0 0 "[ . 1 . 2]" 1
292 1 37 GLU H 1 38 THR H . . 2.860 2.644 2.394 2.748 . 0 0 "[ . 1 . 2]" 1
293 1 37 GLU H 1 39 LEU H . . 3.700 4.046 3.779 4.182 0.482 10 0 "[ . 1 . 2]" 1
294 1 37 GLU HA 1 38 THR H . . 3.360 3.415 3.331 3.590 0.230 8 0 "[ . 1 . 2]" 1
295 1 38 THR H 1 39 LEU H . . 2.590 2.146 1.879 2.507 . 0 0 "[ . 1 . 2]" 1
296 1 38 THR H 1 39 LEU MD1 . . 6.530 5.233 4.287 5.436 . 0 0 "[ . 1 . 2]" 1
297 1 38 THR H 1 39 LEU MD2 . . 6.530 5.201 4.189 5.437 . 0 0 "[ . 1 . 2]" 1
298 1 38 THR HA 1 39 LEU H . . 3.050 3.138 3.073 3.470 0.420 4 0 "[ . 1 . 2]" 1
299 1 39 LEU H 1 40 GLU H . . 4.110 4.594 4.508 4.667 0.557 19 8 "[ .*- *1 * ** * +2]" 1
300 1 39 LEU HA 1 40 GLU H . . 3.360 2.514 2.355 2.620 . 0 0 "[ . 1 . 2]" 1
301 1 39 LEU HB3 1 40 GLU H . . 3.360 3.596 2.414 4.029 0.669 19 4 "[ . * -* +2]" 1
302 1 39 LEU HB3 1 41 PHE QD . . 6.990 5.363 4.531 6.702 . 0 0 "[ . 1 . 2]" 1
303 1 40 GLU HA 1 41 PHE H . . 2.490 2.531 2.349 2.651 0.161 15 0 "[ . 1 . 2]" 1
304 1 41 PHE H 1 42 GLY H . . 3.980 4.461 4.440 4.532 0.552 19 4 "[ - . * . +*]" 1
305 1 41 PHE HA 1 42 GLY H . . 2.830 2.484 2.398 2.564 . 0 0 "[ . 1 . 2]" 1
306 1 41 PHE HB3 1 42 GLY H . . 3.240 2.633 2.427 2.905 . 0 0 "[ . 1 . 2]" 1
307 1 41 PHE QD 1 42 GLY H . . 7.090 4.285 4.031 4.569 . 0 0 "[ . 1 . 2]" 1
308 1 42 GLY HA2 1 43 ASN H . . 3.110 2.937 2.414 3.642 0.532 10 1 "[ . + . 2]" 1
309 1 42 GLY HA3 1 43 ASN H . . 3.110 2.529 2.217 2.851 . 0 0 "[ . 1 . 2]" 1
310 1 42 GLY QA 1 43 ASN H . . 2.880 2.300 2.178 2.656 . 0 0 "[ . 1 . 2]" 1
311 1 44 ASP H 1 45 ASN H . . 2.860 2.352 2.150 2.603 . 0 0 "[ . 1 . 2]" 1
312 1 44 ASP HA 1 45 ASN H . . 2.830 3.228 3.209 3.239 0.409 9 0 "[ . 1 . 2]" 1
313 1 45 ASN HA 1 46 PHE H . . 2.680 2.877 2.781 3.067 0.387 10 0 "[ . 1 . 2]" 1
314 1 46 PHE QD 1 47 PRO HD3 . . 6.290 4.047 3.024 4.932 . 0 0 "[ . 1 . 2]" 1
315 1 47 PRO HA 1 48 GLU H . . 2.520 2.362 2.286 2.398 . 0 0 "[ . 1 . 2]" 1
316 1 47 PRO HA 1 49 ASN H . . 3.830 3.955 3.786 4.316 0.486 15 0 "[ . 1 . 2]" 1
317 1 47 PRO HD3 1 50 ILE MD . . 4.420 3.618 3.413 3.762 . 0 0 "[ . 1 . 2]" 1
318 1 48 GLU H 1 49 ASN H . . 2.800 2.456 2.147 2.715 . 0 0 "[ . 1 . 2]" 1
319 1 48 GLU HB3 1 49 ASN H . . 3.020 3.324 2.812 3.519 0.499 15 0 "[ . 1 . 2]" 1
320 1 49 ASN H 1 50 ILE H . . 3.550 4.064 3.974 4.164 0.614 5 10 "[** +* ** *.*- *]" 1
321 1 50 ILE H 1 51 ILE H . . 4.260 4.443 4.266 4.543 0.283 15 0 "[ . 1 . 2]" 1
322 1 50 ILE HA 1 51 ILE H . . 2.520 2.247 2.177 2.317 . 0 0 "[ . 1 . 2]" 1
323 1 51 ILE HA 1 52 PRO HG3 . . 4.320 4.246 4.193 4.271 . 0 0 "[ . 1 . 2]" 1
324 1 51 ILE HA 1 52 PRO HD3 . . 2.430 2.025 1.944 2.061 . 0 0 "[ . 1 . 2]" 1
325 1 51 ILE HG13 1 52 PRO HD3 . . 5.130 5.409 5.040 5.509 0.379 8 0 "[ . 1 . 2]" 1
326 1 51 ILE MD 1 52 PRO HA . . 5.600 3.515 3.446 3.595 . 0 0 "[ . 1 . 2]" 1
327 1 51 ILE MD 1 52 PRO HG3 . . 5.340 4.447 4.340 4.662 . 0 0 "[ . 1 . 2]" 1
328 1 51 ILE MD 1 52 PRO HD3 . . 4.530 3.382 3.258 3.669 . 0 0 "[ . 1 . 2]" 1
329 1 51 ILE MD 1 53 VAL MG1 . . 6.410 4.147 3.923 4.435 . 0 0 "[ . 1 . 2]" 1
330 1 51 ILE MD 1 53 VAL MG2 . . 5.520 2.498 2.204 2.691 . 0 0 "[ . 1 . 2]" 1
331 1 51 ILE MD 1 100 LEU QD . . 8.660 5.287 5.162 5.367 . 0 0 "[ . 1 . 2]" 1
332 1 52 PRO HB3 1 54 THR MG . . 4.680 3.629 3.372 3.997 . 0 0 "[ . 1 . 2]" 1
333 1 53 VAL H 1 54 THR H . . 3.830 3.304 2.790 3.617 . 0 0 "[ . 1 . 2]" 1
334 1 53 VAL HA 1 54 THR H . . 2.460 2.482 2.328 2.724 0.264 14 0 "[ . 1 . 2]" 1
335 1 53 VAL HB 1 54 THR H . . 3.860 4.502 4.402 4.546 0.686 13 20 [************+-******] 1
336 1 53 VAL MG1 1 54 THR H . . 4.950 3.861 3.628 4.041 . 0 0 "[ . 1 . 2]" 1
337 1 53 VAL MG1 1 96 ILE MG . . 6.700 2.833 2.439 3.506 . 0 0 "[ . 1 . 2]" 1
338 1 53 VAL MG1 1 98 PHE QE . . 8.130 2.268 1.831 3.099 . 0 0 "[ . 1 . 2]" 1
339 1 53 VAL MG2 1 54 THR H . . 4.820 4.374 4.326 4.422 . 0 0 "[ . 1 . 2]" 1
340 1 53 VAL MG2 1 98 PHE QE . . 7.870 2.082 1.812 2.502 . 0 0 "[ . 1 . 2]" 1
341 1 54 THR H 1 55 ASP H . . 2.860 2.651 2.612 2.683 . 0 0 "[ . 1 . 2]" 1
342 1 54 THR H 1 56 SER H . . 4.320 4.498 4.452 4.542 0.222 8 0 "[ . 1 . 2]" 1
343 1 54 THR HA 1 55 ASP H . . 2.800 3.259 3.249 3.270 0.470 16 0 "[ . 1 . 2]" 1
344 1 54 THR MG 1 55 ASP H . . 5.320 4.066 3.053 4.260 . 0 0 "[ . 1 . 2]" 1
345 1 55 ASP H 1 56 SER H . . 2.800 2.638 2.571 2.694 . 0 0 "[ . 1 . 2]" 1
346 1 55 ASP HA 1 56 SER H . . 2.800 3.198 3.149 3.390 0.590 14 2 "[ . 1 - +. 2]" 1
347 1 55 ASP HB3 1 56 SER H . . 4.940 4.610 4.465 4.703 . 0 0 "[ . 1 . 2]" 1
348 1 56 SER H 1 57 LYS H . . 3.980 4.505 4.436 4.546 0.566 16 14 "[ * -*********.+** 2]" 1
349 1 56 SER H 1 96 ILE MD . . 4.540 4.120 3.900 4.253 . 0 0 "[ . 1 . 2]" 1
350 1 56 SER HA 1 57 LYS H . . 3.140 2.410 2.241 2.650 . 0 0 "[ . 1 . 2]" 1
351 1 56 SER HA 1 96 ILE MD . . 4.570 2.019 1.804 3.190 . 0 0 "[ . 1 . 2]" 1
352 1 57 LYS H 1 58 SER H . . 2.710 2.335 2.162 2.630 . 0 0 "[ . 1 . 2]" 1
353 1 57 LYS HA 1 58 SER H . . 3.020 3.357 3.235 3.427 0.407 9 0 "[ . 1 . 2]" 1
354 1 58 SER HA 1 59 ASP H . . 2.620 2.623 2.363 2.888 0.268 19 0 "[ . 1 . 2]" 1
355 1 59 ASP HA 1 60 GLY H . . 2.550 2.529 2.320 2.688 0.138 8 0 "[ . 1 . 2]" 1
356 1 59 ASP HB3 1 60 GLY H . . 3.270 3.263 2.195 3.694 0.424 2 0 "[ . 1 . 2]" 1
357 1 60 GLY H 1 61 ILE H . . 3.860 4.380 4.343 4.414 0.554 7 17 "[-** **+* 1**********]" 1
358 1 60 GLY HA2 1 61 ILE H . . 2.650 2.698 2.501 2.862 0.212 20 0 "[ . 1 . 2]" 1
359 1 60 GLY HA3 1 61 ILE H . . 2.650 2.550 2.405 2.744 0.094 10 0 "[ . 1 . 2]" 1
360 1 60 GLY QA 1 61 ILE H . . 2.420 2.316 2.287 2.334 . 0 0 "[ . 1 . 2]" 1
361 1 61 ILE H 1 62 ILE H . . 3.890 4.347 4.025 4.468 0.578 10 6 "[ * * *- + . * 2]" 1
362 1 61 ILE HA 1 62 ILE H . . 2.350 2.349 2.180 2.501 0.151 2 0 "[ . 1 . 2]" 1
363 1 61 ILE HB 1 63 TYR QD . . 7.640 5.462 4.680 6.392 . 0 0 "[ . 1 . 2]" 1
364 1 61 ILE HB 1 63 TYR QE . . 7.260 4.558 3.535 5.817 . 0 0 "[ . 1 . 2]" 1
365 1 61 ILE MG 1 62 ILE H . . 4.110 2.100 1.804 2.722 . 0 0 "[ . 1 . 2]" 1
366 1 61 ILE MG 1 63 TYR QD . . 7.480 3.398 2.882 4.062 . 0 0 "[ . 1 . 2]" 1
367 1 61 ILE MG 1 63 TYR QE . . 7.180 2.891 2.020 3.854 . 0 0 "[ . 1 . 2]" 1
368 1 62 ILE HA 1 63 TYR H . . 2.580 2.446 2.253 2.508 . 0 0 "[ . 1 . 2]" 1
369 1 62 ILE HA 1 76 ASP HA . . 2.690 2.704 2.433 2.817 0.127 10 0 "[ . 1 . 2]" 1
370 1 62 ILE HB 1 63 TYR H . . 4.110 3.945 3.616 4.153 0.043 15 0 "[ . 1 . 2]" 1
371 1 62 ILE HB 1 77 GLU H . . 5.340 5.523 5.468 5.567 0.227 14 0 "[ . 1 . 2]" 1
372 1 62 ILE MG 1 63 TYR H . . 4.230 1.911 1.775 2.189 . 0 0 "[ . 1 . 2]" 1
373 1 62 ILE MG 1 74 PHE QD . . 6.840 3.285 2.517 3.725 . 0 0 "[ . 1 . 2]" 1
374 1 62 ILE MG 1 76 ASP HA . . 4.570 3.291 2.578 3.751 . 0 0 "[ . 1 . 2]" 1
375 1 62 ILE MG 1 77 GLU H . . 6.530 4.697 4.150 5.202 . 0 0 "[ . 1 . 2]" 1
376 1 62 ILE MG 1 91 PHE QD . . 6.980 5.103 4.823 5.485 . 0 0 "[ . 1 . 2]" 1
377 1 62 ILE MG 1 91 PHE QE . . 7.240 3.681 3.061 3.953 . 0 0 "[ . 1 . 2]" 1
378 1 62 ILE HG13 1 63 TYR H . . 5.500 4.692 4.132 5.013 . 0 0 "[ . 1 . 2]" 1
379 1 62 ILE MD 1 63 TYR H . . 6.530 4.283 3.955 4.914 . 0 0 "[ . 1 . 2]" 1
380 1 62 ILE MD 1 74 PHE QD . . 7.240 4.215 3.663 4.394 . 0 0 "[ . 1 . 2]" 1
381 1 62 ILE MD 1 76 ASP HA . . 5.120 4.034 3.798 4.410 . 0 0 "[ . 1 . 2]" 1
382 1 62 ILE MD 1 91 PHE QD . . 7.610 4.007 3.569 4.802 . 0 0 "[ . 1 . 2]" 1
383 1 62 ILE MD 1 91 PHE QE . . 6.580 2.825 2.306 3.308 . 0 0 "[ . 1 . 2]" 1
384 1 62 ILE MD 1 93 TYR HB3 . . 4.310 3.447 2.908 3.725 . 0 0 "[ . 1 . 2]" 1
385 1 62 ILE MD 1 93 TYR QD . . 6.600 3.088 2.066 3.576 . 0 0 "[ . 1 . 2]" 1
386 1 63 TYR H 1 64 LEU H . . 4.110 4.465 4.420 4.569 0.459 15 0 "[ . 1 . 2]" 1
387 1 63 TYR H 1 75 SER H . . 2.990 3.053 2.784 3.273 0.283 12 0 "[ . 1 . 2]" 1
388 1 63 TYR H 1 75 SER HB3 . . 5.500 4.869 3.789 5.443 . 0 0 "[ . 1 . 2]" 1
389 1 63 TYR H 1 76 ASP HA . . 3.360 3.198 2.867 3.392 0.032 3 0 "[ . 1 . 2]" 1
390 1 63 TYR HA 1 64 LEU H . . 2.500 2.273 2.243 2.296 . 0 0 "[ . 1 . 2]" 1
391 1 63 TYR HB3 1 64 LEU H . . 3.360 3.128 3.064 3.225 . 0 0 "[ . 1 . 2]" 1
392 1 63 TYR HB3 1 75 SER HB3 . . 4.090 4.022 3.119 4.390 0.300 12 0 "[ . 1 . 2]" 1
393 1 63 TYR QD 1 64 LEU H . . 7.020 3.842 3.002 4.329 . 0 0 "[ . 1 . 2]" 1
394 1 63 TYR QD 1 77 GLU HA . . 6.340 2.785 2.221 3.674 . 0 0 "[ . 1 . 2]" 1
395 1 63 TYR QE 1 77 GLU HA . . 5.560 2.351 1.985 3.646 . 0 0 "[ . 1 . 2]" 1
396 1 64 LEU HA 1 65 THR H . . 2.800 2.190 2.176 2.250 . 0 0 "[ . 1 . 2]" 1
397 1 64 LEU HA 1 74 PHE HA . . 2.500 2.333 2.226 2.454 . 0 0 "[ . 1 . 2]" 1
398 1 64 LEU HA 1 75 SER H . . 3.610 3.767 3.656 4.001 0.391 14 0 "[ . 1 . 2]" 1
399 1 64 LEU HG 1 65 THR H . . 4.910 4.173 3.675 4.755 . 0 0 "[ . 1 . 2]" 1
400 1 64 LEU HG 1 74 PHE QD . . 6.220 5.802 5.495 6.098 . 0 0 "[ . 1 . 2]" 1
401 1 64 LEU QD 1 65 THR H . . 6.110 2.345 2.106 2.995 . 0 0 "[ . 1 . 2]" 1
402 1 64 LEU QD 1 72 CYS HB3 . . 6.600 3.828 2.592 4.264 . 0 0 "[ . 1 . 2]" 1
403 1 64 LEU QD 1 73 GLN H . . 6.450 2.661 2.302 3.147 . 0 0 "[ . 1 . 2]" 1
404 1 64 LEU QD 1 74 PHE H . . 7.630 4.389 4.076 4.705 . 0 0 "[ . 1 . 2]" 1
405 1 64 LEU QD 1 74 PHE HA . . 6.820 3.219 2.773 3.563 . 0 0 "[ . 1 . 2]" 1
406 1 64 LEU QD 1 74 PHE QD . . 9.130 3.186 2.671 3.507 . 0 0 "[ . 1 . 2]" 1
407 1 64 LEU QD 1 75 SER H . . 7.630 4.841 4.528 5.207 . 0 0 "[ . 1 . 2]" 1
408 1 64 LEU QD 1 100 LEU QD . . 9.650 2.004 1.620 2.631 . 0 0 "[ . 1 . 2]" 1
409 1 65 THR H 1 73 GLN H . . 3.360 3.053 2.666 3.421 0.061 12 0 "[ . 1 . 2]" 1
410 1 65 THR H 1 74 PHE HA . . 3.890 3.530 3.248 3.691 . 0 0 "[ . 1 . 2]" 1
411 1 65 THR HA 1 66 ILE H . . 2.470 2.182 2.149 2.228 . 0 0 "[ . 1 . 2]" 1
412 1 65 THR HB 1 66 ILE H . . 3.730 4.125 3.729 4.291 0.561 3 3 "[* + . 1 . - 2]" 1
413 1 65 THR HB 1 73 GLN HB3 . . 3.870 3.491 3.038 3.945 0.075 2 0 "[ . 1 . 2]" 1
414 1 66 ILE HA 1 67 SER H . . 3.140 2.249 2.176 2.288 . 0 0 "[ . 1 . 2]" 1
415 1 66 ILE HB 1 67 SER H . . 3.360 3.433 2.941 3.921 0.561 10 1 "[ . + . 2]" 1
416 1 66 ILE MG 1 67 SER H . . 4.390 3.799 2.309 4.318 . 0 0 "[ . 1 . 2]" 1
417 1 66 ILE MD 1 67 SER H . . 6.340 4.558 3.591 5.441 . 0 0 "[ . 1 . 2]" 1
418 1 67 SER H 1 71 ILE H . . 2.930 2.506 2.341 2.662 . 0 0 "[ . 1 . 2]" 1
419 1 67 SER H 1 72 CYS HA . . 3.360 3.662 3.490 3.815 0.455 2 0 "[ . 1 . 2]" 1
420 1 67 SER HA 1 68 LYS H . . 2.800 2.443 2.349 2.585 . 0 0 "[ . 1 . 2]" 1
421 1 67 SER HA 1 71 ILE H . . 3.860 4.419 4.345 4.524 0.664 8 16 "[-* *.**+*1 *********]" 1
422 1 67 SER HB3 1 68 LYS H . . 3.270 3.200 2.780 3.814 0.544 18 1 "[ . 1 . + 2]" 1
423 1 68 LYS H 1 69 ASP H . . 3.110 2.576 2.369 2.688 . 0 0 "[ . 1 . 2]" 1
424 1 68 LYS H 1 70 ASN H . . 3.760 4.168 4.040 4.367 0.607 4 3 "[ +. 1 .- *2]" 1
425 1 68 LYS HA 1 69 ASP H . . 3.420 3.436 3.403 3.489 0.069 14 0 "[ . 1 . 2]" 1
426 1 68 LYS HA 1 70 ASN H . . 4.110 3.187 3.121 3.272 . 0 0 "[ . 1 . 2]" 1
427 1 68 LYS HG3 1 69 ASP H . . 4.880 4.578 3.227 5.449 0.569 9 3 "[* . - +1 . 2]" 1
428 1 69 ASP H 1 70 ASN H . . 2.680 2.585 2.497 2.746 0.066 4 0 "[ . 1 . 2]" 1
429 1 69 ASP H 1 71 ILE H . . 3.700 3.516 3.355 3.709 0.009 14 0 "[ . 1 . 2]" 1
430 1 69 ASP H 1 71 ILE MG . . 6.530 5.198 4.654 5.556 . 0 0 "[ . 1 . 2]" 1
431 1 69 ASP H 1 71 ILE MD . . 6.530 4.410 3.506 5.506 . 0 0 "[ . 1 . 2]" 1
432 1 69 ASP HA 1 70 ASN H . . 3.050 3.275 3.124 3.331 0.281 15 0 "[ . 1 . 2]" 1
433 1 69 ASP HB3 1 70 ASN H . . 4.420 4.080 3.757 4.395 . 0 0 "[ . 1 . 2]" 1
434 1 70 ASN H 1 71 ILE H . . 2.680 2.429 2.339 2.638 . 0 0 "[ . 1 . 2]" 1
435 1 70 ASN H 1 71 ILE HB . . 4.110 4.294 4.106 4.608 0.498 2 0 "[ . 1 . 2]" 1
436 1 70 ASN H 1 71 ILE MG . . 5.720 5.387 4.915 5.625 . 0 0 "[ . 1 . 2]" 1
437 1 70 ASN H 1 71 ILE MD . . 5.720 4.084 3.274 5.324 . 0 0 "[ . 1 . 2]" 1
438 1 70 ASN HA 1 71 ILE H . . 3.300 2.854 2.772 2.954 . 0 0 "[ . 1 . 2]" 1
439 1 71 ILE H 1 72 CYS H . . 4.690 4.276 4.119 4.546 . 0 0 "[ . 1 . 2]" 1
440 1 71 ILE HA 1 72 CYS H . . 2.430 2.238 2.190 2.346 . 0 0 "[ . 1 . 2]" 1
441 1 71 ILE MG 1 72 CYS H . . 4.640 2.961 1.968 3.351 . 0 0 "[ . 1 . 2]" 1
442 1 71 ILE MD 1 72 CYS H . . 4.640 4.025 3.272 4.397 . 0 0 "[ . 1 . 2]" 1
443 1 72 CYS HA 1 73 GLN H . . 2.620 2.339 2.220 2.421 . 0 0 "[ . 1 . 2]" 1
444 1 73 GLN H 1 74 PHE H . . 3.950 4.090 3.776 4.385 0.435 2 0 "[ . 1 . 2]" 1
445 1 73 GLN HA 1 74 PHE H . . 2.650 2.230 2.202 2.337 . 0 0 "[ . 1 . 2]" 1
446 1 73 GLN QE 1 74 PHE H . . 6.370 4.377 2.982 5.726 . 0 0 "[ . 1 . 2]" 1
447 1 74 PHE H 1 82 ILE H . . 3.920 4.041 3.595 4.433 0.513 1 2 "[+ . - . 2]" 1
448 1 74 PHE HA 1 75 SER H . . 2.550 2.431 2.374 2.482 . 0 0 "[ . 1 . 2]" 1
449 1 74 PHE HA 1 84 ILE MG . . 4.790 4.195 4.124 4.273 . 0 0 "[ . 1 . 2]" 1
450 1 74 PHE HB3 1 75 SER H . . 3.390 2.663 2.566 2.776 . 0 0 "[ . 1 . 2]" 1
451 1 74 PHE HB3 1 82 ILE HB . . 3.650 2.156 1.980 2.476 . 0 0 "[ . 1 . 2]" 1
452 1 74 PHE HB3 1 82 ILE MD . . 4.570 2.647 2.133 2.956 . 0 0 "[ . 1 . 2]" 1
453 1 74 PHE HB3 1 84 ILE MG . . 4.120 2.998 2.842 3.226 . 0 0 "[ . 1 . 2]" 1
454 1 74 PHE QD 1 75 SER H . . 7.310 3.736 3.167 4.139 . 0 0 "[ . 1 . 2]" 1
455 1 74 PHE QD 1 84 ILE MG . . 6.840 2.155 1.936 2.377 . 0 0 "[ . 1 . 2]" 1
456 1 74 PHE QD 1 84 ILE MD . . 6.580 3.508 2.210 4.302 . 0 0 "[ . 1 . 2]" 1
457 1 75 SER H 1 76 ASP H . . 4.110 4.295 4.088 4.370 0.260 11 0 "[ . 1 . 2]" 1
458 1 75 SER H 1 82 ILE MD . . 6.530 2.625 2.199 3.085 . 0 0 "[ . 1 . 2]" 1
459 1 75 SER HA 1 76 ASP H . . 2.860 2.440 2.267 2.569 . 0 0 "[ . 1 . 2]" 1
460 1 75 SER HA 1 81 GLN HA . . 2.350 2.099 1.935 2.336 . 0 0 "[ . 1 . 2]" 1
461 1 75 SER HA 1 82 ILE H . . 3.210 2.077 1.920 2.577 . 0 0 "[ . 1 . 2]" 1
462 1 75 SER HA 1 82 ILE MD . . 4.750 2.662 2.200 2.966 . 0 0 "[ . 1 . 2]" 1
463 1 75 SER HB3 1 81 GLN H . . 5.500 4.731 3.800 5.603 0.103 1 0 "[ . 1 . 2]" 1
464 1 75 SER HB3 1 81 GLN HA . . 3.430 2.597 1.965 3.723 0.293 1 0 "[ . 1 . 2]" 1
465 1 76 ASP H 1 78 LYS H . . 3.980 4.308 4.157 4.439 0.459 19 0 "[ . 1 . 2]" 1
466 1 76 ASP H 1 81 GLN HA . . 3.140 3.560 3.512 3.619 0.479 19 0 "[ . 1 . 2]" 1
467 1 76 ASP H 1 82 ILE MG . . 6.530 5.437 5.062 5.525 . 0 0 "[ . 1 . 2]" 1
468 1 76 ASP H 1 82 ILE MD . . 5.720 2.763 2.275 3.151 . 0 0 "[ . 1 . 2]" 1
469 1 76 ASP HA 1 77 GLU H . . 2.740 2.456 2.431 2.502 . 0 0 "[ . 1 . 2]" 1
470 1 76 ASP HA 1 82 ILE MD . . 4.340 2.450 2.085 2.960 . 0 0 "[ . 1 . 2]" 1
471 1 76 ASP HB3 1 77 GLU H . . 2.800 3.021 2.822 3.158 0.358 9 0 "[ . 1 . 2]" 1
472 1 76 ASP HB3 1 82 ILE MD . . 4.570 2.922 2.614 3.317 . 0 0 "[ . 1 . 2]" 1
473 1 77 GLU H 1 78 LYS H . . 3.050 2.701 2.647 2.777 . 0 0 "[ . 1 . 2]" 1
474 1 78 LYS HA 1 79 GLY H . . 2.960 3.329 3.181 3.383 0.423 10 0 "[ . 1 . 2]" 1
475 1 79 GLY H 1 80 GLU H . . 2.400 2.370 2.306 2.531 0.131 8 0 "[ . 1 . 2]" 1
476 1 79 GLY HA2 1 80 GLU H . . 2.990 3.066 2.996 3.120 0.130 16 0 "[ . 1 . 2]" 1
477 1 79 GLY HA3 1 80 GLU H . . 3.210 3.557 3.530 3.586 0.376 8 0 "[ . 1 . 2]" 1
478 1 81 GLN H 1 82 ILE H . . 4.110 4.569 4.382 4.628 0.518 18 4 "[ . 1 * .- +*2]" 1
479 1 81 GLN HA 1 82 ILE H . . 2.650 2.286 2.202 2.468 . 0 0 "[ . 1 . 2]" 1
480 1 82 ILE HA 1 83 ASP H . . 2.400 2.209 2.176 2.284 . 0 0 "[ . 1 . 2]" 1
481 1 82 ILE HB 1 83 ASP H . . 4.350 4.261 3.936 4.421 0.071 2 0 "[ . 1 . 2]" 1
482 1 82 ILE MG 1 83 ASP H . . 4.390 2.567 2.098 3.078 . 0 0 "[ . 1 . 2]" 1
483 1 82 ILE MG 1 84 ILE H . . 6.530 4.475 4.229 4.779 . 0 0 "[ . 1 . 2]" 1
484 1 82 ILE MG 1 91 PHE QD . . 7.610 4.138 3.266 4.846 . 0 0 "[ . 1 . 2]" 1
485 1 82 ILE MG 1 91 PHE QE . . 8.020 5.032 3.696 5.899 . 0 0 "[ . 1 . 2]" 1
486 1 82 ILE HG13 1 83 ASP H . . 5.500 4.818 4.383 5.029 . 0 0 "[ . 1 . 2]" 1
487 1 82 ILE MD 1 83 ASP H . . 6.530 5.265 5.097 5.470 . 0 0 "[ . 1 . 2]" 1
488 1 82 ILE MD 1 91 PHE QE . . 7.470 4.745 3.462 5.575 . 0 0 "[ . 1 . 2]" 1
489 1 83 ASP HA 1 84 ILE H . . 2.590 2.255 2.253 2.259 . 0 0 "[ . 1 . 2]" 1
490 1 83 ASP HB3 1 84 ILE H . . 4.170 4.357 3.602 4.519 0.349 17 0 "[ . 1 . 2]" 1
491 1 84 ILE H 1 85 ASN H . . 4.110 4.442 4.309 4.519 0.409 5 0 "[ . 1 . 2]" 1
492 1 84 ILE HA 1 85 ASN H . . 2.590 2.294 2.224 2.442 . 0 0 "[ . 1 . 2]" 1
493 1 84 ILE HB 1 85 ASN H . . 3.210 3.288 2.958 3.674 0.464 9 0 "[ . 1 . 2]" 1
494 1 84 ILE HB 1 89 ASN H . . 5.500 5.481 5.292 5.568 0.068 4 0 "[ . 1 . 2]" 1
495 1 84 ILE HB 1 90 SER H . . 4.480 4.119 3.627 4.761 0.281 1 0 "[ . 1 . 2]" 1
496 1 84 ILE HG13 1 85 ASN H . . 4.880 3.404 1.940 4.313 . 0 0 "[ . 1 . 2]" 1
497 1 84 ILE MD 1 85 ASN H . . 4.570 3.241 2.602 4.182 . 0 0 "[ . 1 . 2]" 1
498 1 84 ILE MD 1 89 ASN H . . 5.910 3.378 2.859 4.373 . 0 0 "[ . 1 . 2]" 1
499 1 84 ILE MD 1 90 SER H . . 4.790 2.928 2.307 3.511 . 0 0 "[ . 1 . 2]" 1
500 1 84 ILE MD 1 91 PHE H . . 6.530 5.263 5.156 5.343 . 0 0 "[ . 1 . 2]" 1
501 1 84 ILE MD 1 91 PHE QD . . 7.610 3.636 2.693 4.691 . 0 0 "[ . 1 . 2]" 1
502 1 84 ILE MD 1 91 PHE QE . . 8.090 4.513 2.548 6.068 . 0 0 "[ . 1 . 2]" 1
503 1 85 ASN H 1 90 SER H . . 3.700 3.990 3.725 4.195 0.495 1 0 "[ . 1 . 2]" 1
504 1 85 ASN HA 1 86 SER H . . 2.800 2.376 2.252 2.816 0.016 10 0 "[ . 1 . 2]" 1
505 1 85 ASN HB3 1 86 SER H . . 4.630 3.314 2.053 4.370 . 0 0 "[ . 1 . 2]" 1
506 1 86 SER H 1 87 GLN H . . 3.670 2.494 2.351 2.681 . 0 0 "[ . 1 . 2]" 1
507 1 87 GLN H 1 88 PHE H . . 2.740 2.494 2.149 2.851 0.111 10 0 "[ . 1 . 2]" 1
508 1 87 GLN HA 1 88 PHE H . . 3.020 3.519 3.439 3.634 0.614 15 6 "[- . ** *+* 2]" 1
509 1 88 PHE H 1 89 ASN H . . 2.830 1.867 1.839 1.890 . 0 0 "[ . 1 . 2]" 1
510 1 88 PHE HA 1 89 ASN H . . 3.210 3.522 3.496 3.536 0.326 1 0 "[ . 1 . 2]" 1
511 1 88 PHE QD 1 89 ASN H . . 7.620 4.679 4.294 4.800 . 0 0 "[ . 1 . 2]" 1
512 1 89 ASN H 1 90 SER H . . 2.800 3.021 2.869 3.148 0.348 15 0 "[ . 1 . 2]" 1
513 1 89 ASN HA 1 90 SER H . . 2.740 2.771 2.634 2.891 0.151 5 0 "[ . 1 . 2]" 1
514 1 89 ASN HB3 1 100 LEU HB3 . . 5.660 4.353 3.813 5.747 0.087 18 0 "[ . 1 . 2]" 1
515 1 90 SER H 1 91 PHE H . . 4.110 4.361 4.305 4.426 0.316 1 0 "[ . 1 . 2]" 1
516 1 90 SER HA 1 91 PHE H . . 2.620 2.529 2.336 2.728 0.108 4 0 "[ . 1 . 2]" 1
517 1 90 SER HA 1 99 HIS HA . . 2.470 2.173 1.986 2.455 . 0 0 "[ . 1 . 2]" 1
518 1 90 SER HA 1 100 LEU H . . 3.860 2.859 2.269 3.552 . 0 0 "[ . 1 . 2]" 1
519 1 90 SER HB3 1 91 PHE H . . 3.210 3.473 2.408 3.702 0.492 4 0 "[ . 1 . 2]" 1
520 1 90 SER HB3 1 99 HIS HA . . 3.650 2.242 1.985 3.799 0.149 9 0 "[ . 1 . 2]" 1
521 1 91 PHE H 1 98 PHE HB3 . . 4.880 4.110 3.646 4.753 . 0 0 "[ . 1 . 2]" 1
522 1 91 PHE H 1 99 HIS HA . . 4.230 3.409 2.991 3.999 . 0 0 "[ . 1 . 2]" 1
523 1 91 PHE HA 1 92 GLU H . . 2.830 2.583 2.448 2.630 . 0 0 "[ . 1 . 2]" 1
524 1 91 PHE HB3 1 92 GLU H . . 3.270 3.691 3.642 3.887 0.617 6 1 "[ .+ 1 . 2]" 1
525 1 91 PHE QD 1 92 GLU H . . 7.250 3.416 2.930 4.010 . 0 0 "[ . 1 . 2]" 1
526 1 91 PHE QD 1 93 TYR H . . 7.530 4.627 4.145 5.120 . 0 0 "[ . 1 . 2]" 1
527 1 92 GLU H 1 93 TYR H . . 4.110 4.395 4.232 4.552 0.442 15 0 "[ . 1 . 2]" 1
528 1 92 GLU HA 1 93 TYR H . . 2.620 2.306 2.220 2.390 . 0 0 "[ . 1 . 2]" 1
529 1 92 GLU HA 1 97 SER HA . . 2.320 2.267 2.071 2.392 0.072 18 0 "[ . 1 . 2]" 1
530 1 92 GLU HA 1 98 PHE H . . 3.170 2.677 2.187 3.249 0.079 16 0 "[ . 1 . 2]" 1
531 1 92 GLU HA 1 98 PHE QD . . 6.810 2.594 2.019 3.327 . 0 0 "[ . 1 . 2]" 1
532 1 93 TYR H 1 94 ASP H . . 4.110 4.247 4.078 4.376 0.266 18 0 "[ . 1 . 2]" 1
533 1 93 TYR H 1 95 GLY H . . 3.860 3.608 3.335 3.936 0.076 18 0 "[ . 1 . 2]" 1
534 1 93 TYR H 1 96 ILE H . . 3.210 3.529 3.127 3.626 0.416 17 0 "[ . 1 . 2]" 1
535 1 93 TYR H 1 96 ILE MG . . 6.530 4.015 3.509 5.241 . 0 0 "[ . 1 . 2]" 1
536 1 93 TYR H 1 96 ILE MD . . 6.530 5.091 4.637 5.324 . 0 0 "[ . 1 . 2]" 1
537 1 93 TYR H 1 97 SER HA . . 3.860 3.527 3.276 3.787 . 0 0 "[ . 1 . 2]" 1
538 1 93 TYR HA 1 94 ASP H . . 2.900 2.276 2.206 2.311 . 0 0 "[ . 1 . 2]" 1
539 1 93 TYR HA 1 95 GLY H . . 4.630 3.217 3.155 3.295 . 0 0 "[ . 1 . 2]" 1
540 1 93 TYR HB3 1 98 PHE QE . . 7.250 2.263 1.983 2.946 . 0 0 "[ . 1 . 2]" 1
541 1 93 TYR QD 1 94 ASP H . . 7.640 3.231 2.146 3.721 . 0 0 "[ . 1 . 2]" 1
542 1 93 TYR QD 1 94 ASP HB3 . . 6.940 4.588 3.811 5.461 . 0 0 "[ . 1 . 2]" 1
543 1 93 TYR QD 1 96 ILE H . . 7.640 5.546 4.886 6.130 . 0 0 "[ . 1 . 2]" 1
544 1 93 TYR QE 1 94 ASP HB3 . . 7.630 6.036 4.858 6.806 . 0 0 "[ . 1 . 2]" 1
545 1 94 ASP H 1 95 GLY H . . 3.080 2.649 2.485 2.718 . 0 0 "[ . 1 . 2]" 1
546 1 94 ASP HB3 1 95 GLY H . . 3.860 4.300 4.080 4.352 0.492 15 0 "[ . 1 . 2]" 1
547 1 94 ASP HB3 1 96 ILE H . . 4.630 3.432 2.911 3.562 . 0 0 "[ . 1 . 2]" 1
548 1 94 ASP HB3 1 96 ILE MD . . 4.680 3.215 2.553 4.038 . 0 0 "[ . 1 . 2]" 1
549 1 95 GLY H 1 96 ILE H . . 2.990 2.901 2.685 2.983 . 0 0 "[ . 1 . 2]" 1
550 1 95 GLY H 1 96 ILE MD . . 6.310 4.609 4.108 5.577 . 0 0 "[ . 1 . 2]" 1
551 1 96 ILE HA 1 97 SER H . . 2.490 2.440 2.364 2.487 . 0 0 "[ . 1 . 2]" 1
552 1 96 ILE HB 1 97 SER H . . 3.550 3.768 2.508 4.009 0.459 19 0 "[ . 1 . 2]" 1
553 1 96 ILE HB 1 98 PHE QE . . 6.330 2.891 2.203 4.296 . 0 0 "[ . 1 . 2]" 1
554 1 96 ILE MG 1 97 SER H . . 3.860 2.002 1.833 3.602 . 0 0 "[ . 1 . 2]" 1
555 1 96 ILE MG 1 98 PHE QD . . 8.020 3.298 2.474 5.664 . 0 0 "[ . 1 . 2]" 1
556 1 96 ILE MG 1 98 PHE QE . . 7.350 2.941 2.253 4.717 . 0 0 "[ . 1 . 2]" 1
557 1 96 ILE MD 1 97 SER H . . 4.820 4.290 3.457 4.684 . 0 0 "[ . 1 . 2]" 1
558 1 96 ILE MD 1 98 PHE QE . . 7.240 4.515 2.590 5.246 . 0 0 "[ . 1 . 2]" 1
559 1 97 SER H 1 98 PHE H . . 4.630 4.105 3.842 4.481 . 0 0 "[ . 1 . 2]" 1
560 1 97 SER HA 1 98 PHE H . . 2.620 2.262 2.216 2.324 . 0 0 "[ . 1 . 2]" 1
561 1 98 PHE H 1 99 HIS H . . 4.110 4.596 4.488 4.650 0.540 13 8 "[ ** ** *+ . * -]" 1
562 1 98 PHE HA 1 99 HIS H . . 2.520 2.377 2.328 2.420 . 0 0 "[ . 1 . 2]" 1
563 1 98 PHE HB3 1 99 HIS H . . 3.550 2.783 2.658 2.942 . 0 0 "[ . 1 . 2]" 1
564 1 98 PHE QD 1 99 HIS H . . 7.220 4.115 3.823 4.363 . 0 0 "[ . 1 . 2]" 1
565 1 99 HIS HA 1 100 LEU H . . 2.680 2.201 2.185 2.285 . 0 0 "[ . 1 . 2]" 1
566 1 99 HIS HD2 1 100 LEU H . . 5.040 5.300 4.055 5.644 0.604 4 6 "[ +. * 1* **- 2]" 1
567 1 100 LEU HA 1 101 LYS H . . 2.550 2.190 2.175 2.205 . 0 0 "[ . 1 . 2]" 1
568 1 100 LEU QD 1 101 LYS H . . 6.550 3.549 2.936 4.138 . 0 0 "[ . 1 . 2]" 1
569 1 102 ASN HA 1 103 MET H . . 3.270 2.412 2.252 2.539 . 0 0 "[ . 1 . 2]" 1
570 1 105 GLU HA 1 106 ASP H . . 3.080 2.416 2.205 3.614 0.534 10 1 "[ . + . 2]" 1
571 1 106 ASP H 1 107 LYS H . . 3.950 3.307 1.951 4.454 0.504 15 1 "[ . 1 + 2]" 1
572 1 106 ASP HA 1 107 LYS H . . 3.390 2.919 2.254 3.655 0.265 8 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 75
_Distance_constraint_stats_list.Viol_count 667
_Distance_constraint_stats_list.Viol_total 2823.617
_Distance_constraint_stats_list.Viol_max 4.726
_Distance_constraint_stats_list.Viol_rms 0.3318
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0941
_Distance_constraint_stats_list.Viol_average_violations_only 0.2117
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 ARG 6.252 0.311 19 0 "[ . 1 . 2]"
1 9 LEU 9.658 0.324 5 0 "[ . 1 . 2]"
1 10 LEU 7.809 0.287 11 0 "[ . 1 . 2]"
1 11 VAL 4.831 0.264 14 0 "[ . 1 . 2]"
1 12 LYS 4.861 0.277 12 0 "[ . 1 . 2]"
1 13 LEU 3.026 0.307 11 0 "[ . 1 . 2]"
1 17 VAL 3.026 0.307 11 0 "[ . 1 . 2]"
1 19 ASP 4.831 0.264 14 0 "[ . 1 . 2]"
1 21 PHE 9.658 0.324 5 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASN 54.487 4.726 8 19 [*******+*****-.*****]
1 29 LEU 8.996 0.324 10 0 "[ . 1 . 2]"
1 30 ILE 4.431 0.246 19 0 "[ . 1 . 2]"
1 31 VAL 9.535 0.274 8 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASN 58.865 4.726 8 19 [*******+*****-.*****]
1 51 ILE 7.867 0.274 8 0 "[ . 1 . 2]"
1 53 VAL 3.725 0.262 5 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 4.431 0.246 19 0 "[ . 1 . 2]"
1 63 TYR 8.002 0.325 19 0 "[ . 1 . 2]"
1 64 LEU 2.560 0.253 6 0 "[ . 1 . 2]"
1 65 THR 7.713 0.269 17 0 "[ . 1 . 2]"
1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 3.432 0.215 4 0 "[ . 1 . 2]"
1 71 ILE 3.432 0.215 4 0 "[ . 1 . 2]"
1 73 GLN 7.713 0.269 17 0 "[ . 1 . 2]"
1 75 SER 8.002 0.325 19 0 "[ . 1 . 2]"
1 76 ASP 1.637 0.152 20 0 "[ . 1 . 2]"
1 80 GLU 1.637 0.152 20 0 "[ . 1 . 2]"
1 89 ASN 6.509 0.302 17 0 "[ . 1 . 2]"
1 91 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 SER 4.861 0.277 12 0 "[ . 1 . 2]"
1 98 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 HIS 7.809 0.287 11 0 "[ . 1 . 2]"
1 100 LEU 6.509 0.302 17 0 "[ . 1 . 2]"
1 101 LYS 6.252 0.311 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ARG O 1 101 LYS N . . 2.700 2.797 2.667 3.000 0.300 9 0 "[ . 1 . 2]" 2
2 1 8 ARG O 1 101 LYS H . . 1.800 2.009 1.772 2.111 0.311 19 0 "[ . 1 . 2]" 2
3 1 8 ARG N 1 101 LYS O . . 3.500 2.828 2.637 3.066 . 0 0 "[ . 1 . 2]" 2
4 1 8 ARG H 1 101 LYS O . . 2.500 2.023 1.722 2.547 0.047 7 0 "[ . 1 . 2]" 2
5 1 9 LEU N 1 21 PHE O . . 2.700 2.828 2.622 3.024 0.324 5 0 "[ . 1 . 2]" 2
6 1 9 LEU H 1 21 PHE O . . 1.800 1.901 1.702 2.059 0.259 8 0 "[ . 1 . 2]" 2
7 1 9 LEU O 1 21 PHE N . . 2.700 2.809 2.613 2.960 0.260 19 0 "[ . 1 . 2]" 2
8 1 9 LEU O 1 21 PHE H . . 1.800 1.906 1.753 2.056 0.256 19 0 "[ . 1 . 2]" 2
9 1 10 LEU N 1 99 HIS O . . 2.700 2.632 2.551 2.737 0.037 14 0 "[ . 1 . 2]" 2
10 1 10 LEU H 1 99 HIS O . . 1.800 2.037 1.899 2.087 0.287 11 0 "[ . 1 . 2]" 2
11 1 10 LEU O 1 99 HIS N . . 2.700 2.718 2.622 2.895 0.195 4 0 "[ . 1 . 2]" 2
12 1 10 LEU O 1 99 HIS H . . 1.800 1.909 1.797 2.071 0.271 6 0 "[ . 1 . 2]" 2
13 1 11 VAL N 1 19 ASP O . . 2.700 2.818 2.676 2.959 0.259 14 0 "[ . 1 . 2]" 2
14 1 11 VAL H 1 19 ASP O . . 1.800 1.920 1.747 2.064 0.264 14 0 "[ . 1 . 2]" 2
15 1 11 VAL O 1 19 ASP N . . 3.500 2.645 2.490 2.798 . 0 0 "[ . 1 . 2]" 2
16 1 11 VAL O 1 19 ASP H . . 2.500 1.753 1.538 2.067 . 0 0 "[ . 1 . 2]" 2
17 1 12 LYS N 1 97 SER O . . 2.700 2.795 2.657 2.977 0.277 12 0 "[ . 1 . 2]" 2
18 1 12 LYS H 1 97 SER O . . 1.800 1.830 1.686 1.997 0.197 10 0 "[ . 1 . 2]" 2
19 1 12 LYS O 1 97 SER N . . 2.700 2.754 2.582 2.911 0.211 14 0 "[ . 1 . 2]" 2
20 1 12 LYS O 1 97 SER H . . 1.800 1.811 1.752 1.945 0.145 14 0 "[ . 1 . 2]" 2
21 1 13 LEU O 1 17 VAL H . . 2.500 2.648 2.568 2.807 0.307 11 0 "[ . 1 . 2]" 2
22 1 13 LEU O 1 17 VAL N . . 3.500 3.385 3.267 3.533 0.033 20 0 "[ . 1 . 2]" 2
23 1 13 LEU N 1 17 VAL O . . 3.500 2.770 2.547 2.963 . 0 0 "[ . 1 . 2]" 2
24 1 13 LEU H 1 17 VAL O . . 2.500 1.907 1.637 2.131 . 0 0 "[ . 1 . 2]" 2
25 1 26 GLY N 1 66 ILE O . . 3.500 2.725 2.486 2.981 . 0 0 "[ . 1 . 2]" 2
26 1 26 GLY H 1 66 ILE O . . 2.500 2.153 1.842 2.317 . 0 0 "[ . 1 . 2]" 2
27 1 26 GLY O 1 66 ILE N . . 3.500 2.701 2.590 2.898 . 0 0 "[ . 1 . 2]" 2
28 1 26 GLY O 1 66 ILE H . . 2.500 1.715 1.613 1.915 . 0 0 "[ . 1 . 2]" 2
29 1 28 ASN O 1 64 LEU N . . 2.700 2.744 2.512 2.953 0.253 6 0 "[ . 1 . 2]" 2
30 1 28 ASN O 1 64 LEU H . . 1.800 1.823 1.700 1.980 0.180 6 0 "[ . 1 . 2]" 2
31 1 28 ASN H 1 64 LEU O . . 2.500 1.673 1.565 1.820 . 0 0 "[ . 1 . 2]" 2
32 1 28 ASN N 1 64 LEU O . . 3.500 2.423 2.357 2.495 . 0 0 "[ . 1 . 2]" 2
33 1 28 ASN OD1 1 49 ASN ND2 . . 3.500 6.096 3.910 8.226 4.726 8 19 [*******+*****-.*****] 2
34 1 29 LEU N 1 49 ASN O . . 2.700 2.857 2.479 3.024 0.324 10 0 "[ . 1 . 2]" 2
35 1 29 LEU H 1 49 ASN O . . 1.800 1.939 1.593 2.074 0.274 18 0 "[ . 1 . 2]" 2
36 1 29 LEU O 1 51 ILE N . . 2.700 2.737 2.654 2.917 0.217 14 0 "[ . 1 . 2]" 2
37 1 29 LEU O 1 51 ILE H . . 1.800 1.843 1.720 2.046 0.246 14 0 "[ . 1 . 2]" 2
38 1 30 ILE N 1 62 ILE O . . 2.700 2.788 2.674 2.946 0.246 19 0 "[ . 1 . 2]" 2
39 1 30 ILE H 1 62 ILE O . . 1.800 1.815 1.712 1.963 0.163 19 0 "[ . 1 . 2]" 2
40 1 30 ILE O 1 62 ILE N . . 2.700 2.697 2.573 2.895 0.195 17 0 "[ . 1 . 2]" 2
41 1 30 ILE O 1 62 ILE H . . 1.800 1.838 1.726 1.984 0.184 7 0 "[ . 1 . 2]" 2
42 1 31 VAL N 1 51 ILE O . . 2.700 2.816 2.590 2.916 0.216 19 0 "[ . 1 . 2]" 2
43 1 31 VAL H 1 51 ILE O . . 1.800 1.968 1.779 2.074 0.274 8 0 "[ . 1 . 2]" 2
44 1 31 VAL O 1 53 VAL N . . 2.700 2.543 2.459 2.681 . 0 0 "[ . 1 . 2]" 2
45 1 31 VAL O 1 53 VAL H . . 1.800 1.983 1.764 2.062 0.262 5 0 "[ . 1 . 2]" 2
46 1 32 LEU H 1 60 GLY O . . 2.500 1.782 1.669 2.095 . 0 0 "[ . 1 . 2]" 2
47 1 32 LEU N 1 60 GLY O . . 3.500 2.546 2.454 2.863 . 0 0 "[ . 1 . 2]" 2
48 1 32 LEU O 1 60 GLY H . . 2.500 1.707 1.476 2.067 . 0 0 "[ . 1 . 2]" 2
49 1 32 LEU O 1 60 GLY N . . 3.500 2.467 2.339 2.840 . 0 0 "[ . 1 . 2]" 2
50 1 63 TYR N 1 75 SER O . . 2.700 2.718 2.580 2.888 0.188 8 0 "[ . 1 . 2]" 2
51 1 63 TYR H 1 75 SER O . . 1.800 1.770 1.657 1.890 0.090 8 0 "[ . 1 . 2]" 2
52 1 63 TYR O 1 75 SER N . . 2.700 2.829 2.663 2.919 0.219 11 0 "[ . 1 . 2]" 2
53 1 63 TYR O 1 75 SER H . . 1.800 2.021 1.902 2.125 0.325 19 0 "[ . 1 . 2]" 2
54 1 65 THR N 1 73 GLN O . . 2.700 2.797 2.645 2.958 0.258 20 0 "[ . 1 . 2]" 2
55 1 65 THR H 1 73 GLN O . . 1.800 1.850 1.710 2.019 0.219 12 0 "[ . 1 . 2]" 2
56 1 65 THR O 1 73 GLN N . . 2.700 2.691 2.642 2.802 0.102 15 0 "[ . 1 . 2]" 2
57 1 65 THR O 1 73 GLN H . . 1.800 2.010 1.830 2.069 0.269 17 0 "[ . 1 . 2]" 2
58 1 67 SER N 1 71 ILE O . . 2.700 2.734 2.664 2.843 0.143 14 0 "[ . 1 . 2]" 2
59 1 67 SER H 1 71 ILE O . . 1.800 1.861 1.748 2.015 0.215 4 0 "[ . 1 . 2]" 2
60 1 67 SER O 1 71 ILE N . . 3.500 3.367 3.106 3.556 0.056 7 0 "[ . 1 . 2]" 2
61 1 67 SER O 1 71 ILE H . . 2.500 2.460 2.137 2.677 0.177 7 0 "[ . 1 . 2]" 2
62 1 76 ASP O 1 80 GLU N . . 3.500 3.408 3.363 3.446 . 0 0 "[ . 1 . 2]" 2
63 1 76 ASP O 1 80 GLU H . . 2.500 2.582 2.546 2.652 0.152 20 0 "[ . 1 . 2]" 2
64 1 76 ASP N 1 80 GLU O . . 3.500 2.613 2.464 2.799 . 0 0 "[ . 1 . 2]" 2
65 1 76 ASP H 1 80 GLU O . . 2.500 1.697 1.571 1.877 . 0 0 "[ . 1 . 2]" 2
66 1 89 ASN O 1 100 LEU N . . 2.700 2.872 2.727 3.002 0.302 17 0 "[ . 1 . 2]" 2
67 1 89 ASN O 1 100 LEU H . . 1.800 1.953 1.801 2.057 0.257 6 0 "[ . 1 . 2]" 2
68 1 91 PHE O 1 98 PHE N . . 3.500 2.657 2.496 2.992 . 0 0 "[ . 1 . 2]" 2
69 1 91 PHE O 1 98 PHE H . . 2.500 1.911 1.610 2.238 . 0 0 "[ . 1 . 2]" 2
70 1 91 PHE N 1 98 PHE O . . 3.500 2.959 2.760 3.213 . 0 0 "[ . 1 . 2]" 2
71 1 91 PHE H 1 98 PHE O . . 2.500 2.047 1.801 2.292 . 0 0 "[ . 1 . 2]" 2
72 1 93 TYR O 1 96 ILE N . . 3.500 2.811 2.569 3.229 . 0 0 "[ . 1 . 2]" 2
73 1 93 TYR O 1 96 ILE H . . 2.500 2.110 1.773 2.497 . 0 0 "[ . 1 . 2]" 2
74 1 93 TYR N 1 96 ILE O . . 3.500 2.902 2.680 3.032 . 0 0 "[ . 1 . 2]" 2
75 1 93 TYR H 1 96 ILE O . . 2.500 2.007 1.766 2.322 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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