NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430404 |
2jof   |
15169 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jof
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 169
_Distance_constraint_stats_list.Viol_count 1411
_Distance_constraint_stats_list.Viol_total 8313.821
_Distance_constraint_stats_list.Viol_max 1.404
_Distance_constraint_stats_list.Viol_rms 0.1600
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0627
_Distance_constraint_stats_list.Viol_average_violations_only 0.2104
_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 1 ASP 0.694 0.192 11 0 "[ . 1 . 2 . ]"
1 2 ALA 4.979 0.568 1 2 "[+ . 1 . 2 .- ]"
1 3 TYR 76.878 1.404 15 28 [**************+**********-**]
1 4 ALA 21.930 0.524 22 2 "[ . 1 . 2 + . -]"
1 5 GLN 12.936 0.469 9 0 "[ . 1 . 2 . ]"
1 6 TRP 51.734 0.565 18 7 "[** * **1 . + - . ]"
1 7 LEU 124.537 1.404 15 28 [**************+****-********]
1 8 LYS 19.590 0.434 13 0 "[ . 1 . 2 . ]"
1 9 ASP 14.818 0.762 2 3 "[ + * 1 . - 2 . ]"
1 10 GLY 5.173 0.225 10 0 "[ . 1 . 2 . ]"
1 11 GLY 1.507 0.147 4 0 "[ . 1 . 2 . ]"
1 12 PRO 33.498 0.404 3 0 "[ . 1 . 2 . ]"
1 13 SER 20.025 0.489 16 0 "[ . 1 . 2 . ]"
1 14 SER 12.217 0.762 2 3 "[ + - 1 . * 2 . ]"
1 15 GLY 0.698 0.132 19 0 "[ . 1 . 2 . ]"
1 16 ARG 25.212 0.535 7 4 "[ *. +* 1 . - 2 . ]"
1 17 PRO 10.058 0.390 23 0 "[ . 1 . 2 . ]"
1 18 PRO 18.732 0.550 20 1 "[ . 1 . + . ]"
1 19 PRO 18.982 0.310 28 0 "[ . 1 . 2 . ]"
1 20 SER 1.498 0.278 9 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 1 ASP HA 1 1 ASP QB 2.650 2.350 2.910 2.400 2.158 2.548 0.192 11 0 "[ . 1 . 2 . ]" 1
2 1 2 ALA HA 1 3 TYR H 3.460 2.880 3.940 3.389 3.121 3.620 . 0 0 "[ . 1 . 2 . ]" 1
3 1 2 ALA HA 1 5 GLN H 3.360 2.810 3.810 3.499 3.365 3.723 . 0 0 "[ . 1 . 2 . ]" 1
4 1 2 ALA HA 1 5 GLN HB2 3.670 3.020 4.230 3.687 3.449 4.001 . 0 0 "[ . 1 . 2 . ]" 1
5 1 2 ALA HA 1 5 GLN HB3 3.630 3.000 4.180 3.722 3.249 4.230 0.050 13 0 "[ . 1 . 2 . ]" 1
6 1 2 ALA MB 1 3 TYR H 3.800 3.200 4.370 3.177 2.632 3.600 0.568 1 2 "[+ . 1 . 2 .- ]" 1
7 1 2 ALA MB 1 5 GLN H 4.540 3.720 5.370 4.387 3.992 4.728 . 0 0 "[ . 1 . 2 . ]" 1
8 1 3 TYR H 1 3 TYR HA 2.940 2.530 3.270 2.815 2.680 2.925 . 0 0 "[ . 1 . 2 . ]" 1
9 1 3 TYR H 1 3 TYR QB 2.470 2.220 2.700 2.135 2.047 2.243 0.173 13 0 "[ . 1 . 2 . ]" 1
10 1 3 TYR H 1 4 ALA H 2.830 2.450 3.130 2.827 2.510 3.095 . 0 0 "[ . 1 . 2 . ]" 1
11 1 3 TYR HA 1 3 TYR QB 2.530 2.260 2.770 2.465 2.390 2.505 . 0 0 "[ . 1 . 2 . ]" 1
12 1 3 TYR HA 1 3 TYR QD 2.840 2.480 3.550 2.938 2.543 3.100 . 0 0 "[ . 1 . 2 . ]" 1
13 1 3 TYR HA 1 4 ALA H 3.910 3.190 4.580 3.571 3.537 3.649 . 0 0 "[ . 1 . 2 . ]" 1
14 1 3 TYR HA 1 6 TRP H 3.790 3.110 4.400 3.203 3.103 3.379 0.007 18 0 "[ . 1 . 2 . ]" 1
15 1 3 TYR HA 1 6 TRP HB3 2.560 2.260 2.810 2.359 2.224 2.519 0.036 15 0 "[ . 1 . 2 . ]" 1
16 1 3 TYR HA 1 6 TRP HE3 4.000 3.200 4.600 4.193 3.891 4.505 . 0 0 "[ . 1 . 2 . ]" 1
17 1 3 TYR HA 1 19 PRO HB2 4.000 3.500 5.500 5.080 4.955 5.216 . 0 0 "[ . 1 . 2 . ]" 1
18 1 3 TYR HA 1 19 PRO HB3 4.000 3.500 5.500 5.361 5.179 5.642 0.142 15 0 "[ . 1 . 2 . ]" 1
19 1 3 TYR HA 1 19 PRO HD2 3.670 3.030 4.230 3.145 2.948 3.782 0.082 3 0 "[ . 1 . 2 . ]" 1
20 1 3 TYR HA 1 19 PRO HG2 3.440 2.870 3.920 2.826 2.659 2.964 0.211 17 0 "[ . 1 . 2 . ]" 1
21 1 3 TYR HA 1 19 PRO HG3 3.390 2.830 3.850 3.133 2.884 3.515 . 0 0 "[ . 1 . 2 . ]" 1
22 1 3 TYR QB 1 3 TYR QD 2.510 2.270 3.170 2.166 2.155 2.183 0.115 10 0 "[ . 1 . 2 . ]" 1
23 1 3 TYR QB 1 4 ALA H 2.760 2.420 3.040 2.724 2.561 2.895 . 0 0 "[ . 1 . 2 . ]" 1
24 1 3 TYR QD 1 4 ALA HA 3.470 2.910 4.340 3.929 3.799 4.056 . 0 0 "[ . 1 . 2 . ]" 1
25 1 3 TYR QD 1 7 LEU QD 4.120 3.460 5.160 2.565 2.423 3.015 1.037 21 27 "[**************** ***+******-]" 1
26 1 3 TYR QD 1 19 PRO HD2 3.290 2.780 4.110 2.912 2.479 3.457 0.301 22 0 "[ . 1 . 2 . ]" 1
27 1 3 TYR QE 1 6 TRP HZ3 3.110 2.660 4.090 3.404 3.095 3.637 . 0 0 "[ . 1 . 2 . ]" 1
28 1 3 TYR QE 1 7 LEU QD 3.460 3.450 4.320 2.203 2.046 2.363 1.404 15 28 [**************+*****-*******] 1
29 1 3 TYR QE 1 18 PRO HB2 3.410 2.870 4.260 3.110 2.320 3.700 0.550 20 1 "[ . 1 . + . ]" 1
30 1 3 TYR QE 1 18 PRO HB3 3.870 3.280 4.990 3.773 2.883 4.329 0.397 26 0 "[ . 1 . 2 . ]" 1
31 1 4 ALA H 1 4 ALA HA 2.740 2.390 3.020 2.842 2.818 2.882 . 0 0 "[ . 1 . 2 . ]" 1
32 1 4 ALA H 1 4 ALA MB 2.700 2.470 2.940 2.205 2.177 2.231 0.293 9 0 "[ . 1 . 2 . ]" 1
33 1 4 ALA H 1 5 GLN H 2.800 2.500 3.100 2.778 2.592 2.912 . 0 0 "[ . 1 . 2 . ]" 1
34 1 4 ALA HA 1 5 GLN H 3.710 3.050 4.290 3.583 3.544 3.620 . 0 0 "[ . 1 . 2 . ]" 1
35 1 4 ALA HA 1 7 LEU QB 3.410 2.850 3.880 3.160 2.901 3.370 . 0 0 "[ . 1 . 2 . ]" 1
36 1 4 ALA HA 1 7 LEU QD 3.620 3.090 4.040 2.941 2.566 3.283 0.524 22 2 "[ . 1 . 2 + . -]" 1
37 1 4 ALA MB 1 5 GLN H 3.280 2.860 3.620 2.528 2.391 2.780 0.469 9 0 "[ . 1 . 2 . ]" 1
38 1 5 GLN H 1 5 GLN HA 2.610 2.300 2.870 2.888 2.863 2.942 0.072 10 0 "[ . 1 . 2 . ]" 1
39 1 5 GLN H 1 5 GLN HB2 2.640 2.320 2.900 2.340 2.239 2.473 0.081 1 0 "[ . 1 . 2 . ]" 1
40 1 5 GLN H 1 5 GLN HB3 2.650 2.330 2.920 2.800 2.634 2.940 0.020 2 0 "[ . 1 . 2 . ]" 1
41 1 5 GLN HA 1 5 GLN HB2 3.230 2.720 3.640 2.638 2.528 2.708 0.192 25 0 "[ . 1 . 2 . ]" 1
42 1 5 GLN HA 1 5 GLN HB3 3.190 2.700 3.590 3.023 2.998 3.050 . 0 0 "[ . 1 . 2 . ]" 1
43 1 5 GLN HB2 1 6 TRP H 3.320 2.780 3.760 3.710 3.563 3.822 0.062 11 0 "[ . 1 . 2 . ]" 1
44 1 5 GLN HB3 1 6 TRP H 2.920 2.510 3.250 2.666 2.559 2.821 . 0 0 "[ . 1 . 2 . ]" 1
45 1 6 TRP H 1 6 TRP HA 2.940 2.530 3.270 2.810 2.774 2.870 . 0 0 "[ . 1 . 2 . ]" 1
46 1 6 TRP H 1 6 TRP HB2 2.410 2.160 2.630 2.397 2.343 2.487 . 0 0 "[ . 1 . 2 . ]" 1
47 1 6 TRP H 1 6 TRP HB3 2.430 2.180 2.660 2.656 2.592 2.738 0.078 4 0 "[ . 1 . 2 . ]" 1
48 1 6 TRP H 1 7 LEU H 2.570 2.300 2.800 2.994 2.861 3.098 0.298 10 0 "[ . 1 . 2 . ]" 1
49 1 6 TRP HA 1 6 TRP HB2 2.400 . 2.800 2.507 2.475 2.537 . 0 0 "[ . 1 . 2 . ]" 1
50 1 6 TRP HA 1 6 TRP HB3 3.000 2.800 3.200 3.040 3.026 3.048 . 0 0 "[ . 1 . 2 . ]" 1
51 1 6 TRP HA 1 6 TRP HD1 2.980 2.550 3.520 3.011 2.851 3.360 . 0 0 "[ . 1 . 2 . ]" 1
52 1 6 TRP HA 1 7 LEU H 4.050 3.290 4.790 3.603 3.585 3.622 . 0 0 "[ . 1 . 2 . ]" 1
53 1 6 TRP HA 1 9 ASP H 3.810 3.120 4.430 3.742 3.564 3.987 . 0 0 "[ . 1 . 2 . ]" 1
54 1 6 TRP HA 1 9 ASP HB2 3.200 2.700 3.600 3.203 2.903 3.559 . 0 0 "[ . 1 . 2 . ]" 1
55 1 6 TRP HA 1 9 ASP HB3 4.000 3.800 5.000 4.839 4.560 5.208 0.208 2 0 "[ . 1 . 2 . ]" 1
56 1 6 TRP HB2 1 6 TRP HD1 2.830 2.450 3.340 2.684 2.609 2.763 . 0 0 "[ . 1 . 2 . ]" 1
57 1 6 TRP HB2 1 6 TRP HE3 3.260 2.740 3.880 4.135 4.086 4.199 0.319 8 0 "[ . 1 . 2 . ]" 1
58 1 6 TRP HB3 1 6 TRP HD1 3.230 2.720 3.840 3.813 3.760 3.852 0.012 3 0 "[ . 1 . 2 . ]" 1
59 1 6 TRP HB3 1 6 TRP HE3 3.070 2.620 3.630 2.605 2.555 2.683 0.065 22 0 "[ . 1 . 2 . ]" 1
60 1 6 TRP HB3 1 7 LEU H 2.940 2.530 3.270 2.486 2.411 2.561 0.119 9 0 "[ . 1 . 2 . ]" 1
61 1 6 TRP HD1 1 16 ARG QB 2.940 2.530 3.670 3.254 2.819 3.935 0.265 5 0 "[ . 1 . 2 . ]" 1
62 1 6 TRP HD1 1 16 ARG HE 3.510 2.910 4.210 3.608 2.876 4.740 0.530 8 2 "[ . + 1 . - 2 . ]" 1
63 1 6 TRP HD1 1 16 ARG QG 2.520 2.240 3.160 2.504 2.087 3.052 0.153 19 0 "[ . 1 . 2 . ]" 1
64 1 6 TRP HD1 1 18 PRO HA 3.330 2.790 3.970 3.401 2.729 3.845 0.061 8 0 "[ . 1 . 2 . ]" 1
65 1 6 TRP HD1 1 19 PRO HD2 3.580 2.960 4.310 4.138 3.786 4.428 0.118 24 0 "[ . 1 . 2 . ]" 1
66 1 6 TRP HE1 1 16 ARG H 3.830 3.130 4.660 4.058 3.492 4.600 . 0 0 "[ . 1 . 2 . ]" 1
67 1 6 TRP HE1 1 16 ARG QB 3.500 2.910 4.400 3.399 2.637 4.081 0.273 17 0 "[ . 1 . 2 . ]" 1
68 1 6 TRP HE1 1 16 ARG QG 3.680 3.030 4.650 3.055 2.574 3.724 0.456 5 0 "[ . 1 . 2 . ]" 1
69 1 6 TRP HE1 1 18 PRO HA 3.500 2.910 4.200 3.120 2.959 3.373 . 0 0 "[ . 1 . 2 . ]" 1
70 1 6 TRP HE3 1 7 LEU H 3.160 2.680 3.750 3.195 3.080 3.338 . 0 0 "[ . 1 . 2 . ]" 1
71 1 6 TRP HE3 1 7 LEU HA 3.660 3.020 4.420 3.412 3.055 3.669 . 0 0 "[ . 1 . 2 . ]" 1
72 1 6 TRP HE3 1 7 LEU QD 3.550 3.050 4.190 2.585 2.485 2.749 0.565 18 7 "[** * **1 . + - . ]" 1
73 1 6 TRP HE3 1 7 LEU HG 2.730 2.280 3.210 2.434 2.308 2.732 . 0 0 "[ . 1 . 2 . ]" 1
74 1 6 TRP HH2 1 12 PRO HA 3.510 2.920 4.310 4.243 3.733 4.416 0.106 28 0 "[ . 1 . 2 . ]" 1
75 1 6 TRP HH2 1 12 PRO HD3 2.920 2.510 3.450 2.454 2.341 2.560 0.169 7 0 "[ . 1 . 2 . ]" 1
76 1 6 TRP HH2 1 12 PRO QG 3.240 2.730 4.050 3.027 2.394 3.454 0.336 17 0 "[ . 1 . 2 . ]" 1
77 1 6 TRP HZ2 1 12 PRO HA 2.920 2.410 3.450 2.758 2.431 3.285 . 0 0 "[ . 1 . 2 . ]" 1
78 1 6 TRP HZ2 1 12 PRO QG 3.440 2.870 4.310 3.815 3.293 4.124 . 0 0 "[ . 1 . 2 . ]" 1
79 1 6 TRP HZ2 1 18 PRO HD3 2.760 2.420 3.250 2.614 2.412 3.203 0.008 20 0 "[ . 1 . 2 . ]" 1
80 1 6 TRP HZ2 1 18 PRO HG3 3.650 3.010 4.400 3.521 3.132 3.859 . 0 0 "[ . 1 . 2 . ]" 1
81 1 6 TRP HZ3 1 7 LEU QD 3.350 2.910 3.950 2.510 2.358 2.836 0.552 18 2 "[ . - 1 . + 2 . ]" 1
82 1 7 LEU H 1 7 LEU HA 2.880 2.480 3.200 2.877 2.856 2.897 . 0 0 "[ . 1 . 2 . ]" 1
83 1 7 LEU H 1 7 LEU QD 4.330 3.860 4.970 3.179 3.107 3.260 0.753 11 28 [**********+-****************] 1
84 1 7 LEU H 1 7 LEU HG 2.680 2.350 2.950 2.387 2.263 2.545 0.087 11 0 "[ . 1 . 2 . ]" 1
85 1 7 LEU H 1 8 LYS H 2.510 2.300 2.780 2.819 2.741 2.915 0.135 14 0 "[ . 1 . 2 . ]" 1
86 1 7 LEU HA 1 8 LYS H 3.410 2.850 3.870 3.588 3.529 3.628 . 0 0 "[ . 1 . 2 . ]" 1
87 1 7 LEU HA 1 11 GLY H 2.740 2.290 3.030 2.618 2.424 2.987 . 0 0 "[ . 1 . 2 . ]" 1
88 1 7 LEU QB 1 8 LYS H 3.470 2.890 3.960 2.609 2.456 2.751 0.434 13 0 "[ . 1 . 2 . ]" 1
89 1 8 LYS H 1 8 LYS HA 2.520 2.240 2.760 2.835 2.791 2.863 0.103 1 0 "[ . 1 . 2 . ]" 1
90 1 8 LYS H 1 8 LYS QB 2.290 2.080 2.690 2.198 2.023 2.483 0.057 22 0 "[ . 1 . 2 . ]" 1
91 1 8 LYS H 1 9 ASP H 2.470 2.200 2.800 2.874 2.688 2.997 0.197 18 0 "[ . 1 . 2 . ]" 1
92 1 8 LYS H 1 10 GLY H 3.860 3.150 4.610 4.333 4.079 4.621 0.011 9 0 "[ . 1 . 2 . ]" 1
93 1 8 LYS HA 1 8 LYS QB 2.970 2.550 3.510 2.491 2.326 2.584 0.224 2 0 "[ . 1 . 2 . ]" 1
94 1 8 LYS HA 1 9 ASP H 3.410 2.850 3.880 3.544 3.448 3.583 . 0 0 "[ . 1 . 2 . ]" 1
95 1 8 LYS HA 1 10 GLY H 3.930 3.200 4.610 3.603 3.408 3.825 . 0 0 "[ . 1 . 2 . ]" 1
96 1 8 LYS QB 1 9 ASP H 3.400 2.840 4.060 2.706 2.491 3.083 0.349 5 0 "[ . 1 . 2 . ]" 1
97 1 9 ASP H 1 9 ASP HA 2.780 2.420 3.070 2.916 2.874 2.980 . 0 0 "[ . 1 . 2 . ]" 1
98 1 9 ASP H 1 9 ASP HB2 2.500 2.190 2.760 2.379 2.214 2.668 . 0 0 "[ . 1 . 2 . ]" 1
99 1 9 ASP H 1 9 ASP HB3 3.250 2.770 3.640 3.583 3.516 3.657 0.017 2 0 "[ . 1 . 2 . ]" 1
100 1 9 ASP H 1 10 GLY H 2.960 2.540 3.290 2.943 2.675 3.205 . 0 0 "[ . 1 . 2 . ]" 1
101 1 9 ASP H 1 11 GLY H 3.870 3.160 4.520 3.652 3.183 3.978 . 0 0 "[ . 1 . 2 . ]" 1
102 1 9 ASP HA 1 9 ASP HB2 3.010 2.810 3.210 3.037 3.017 3.049 . 0 0 "[ . 1 . 2 . ]" 1
103 1 9 ASP HA 1 9 ASP HB3 2.510 2.230 2.750 2.525 2.340 2.650 . 0 0 "[ . 1 . 2 . ]" 1
104 1 9 ASP HA 1 10 GLY H 3.630 2.900 4.180 3.207 2.953 3.470 . 0 0 "[ . 1 . 2 . ]" 1
105 1 9 ASP HB2 1 14 SER HB2 4.300 3.900 6.300 4.243 3.738 4.821 0.162 11 0 "[ . 1 . 2 . ]" 1
106 1 9 ASP HB2 1 14 SER HB3 4.300 3.900 6.300 4.254 3.258 5.005 0.642 5 2 "[ + 1 . - 2 . ]" 1
107 1 9 ASP HB3 1 14 SER HB2 3.570 2.960 4.090 3.669 2.511 4.852 0.762 2 1 "[ + . 1 . 2 . ]" 1
108 1 9 ASP HB3 1 14 SER HB3 3.000 2.570 3.340 3.132 2.204 3.664 0.366 5 0 "[ . 1 . 2 . ]" 1
109 1 10 GLY H 1 10 GLY QA 2.820 2.440 3.320 2.266 2.215 2.364 0.225 10 0 "[ . 1 . 2 . ]" 1
110 1 10 GLY H 1 11 GLY H 2.420 2.170 2.650 2.369 2.044 2.611 0.126 18 0 "[ . 1 . 2 . ]" 1
111 1 10 GLY QA 1 11 GLY H 3.100 2.630 3.670 2.895 2.828 2.989 . 0 0 "[ . 1 . 2 . ]" 1
112 1 11 GLY H 1 11 GLY HA2 2.530 2.210 2.690 2.273 2.237 2.297 . 0 0 "[ . 1 . 2 . ]" 1
113 1 11 GLY H 1 11 GLY HA3 2.920 2.540 3.220 2.800 2.709 2.861 . 0 0 "[ . 1 . 2 . ]" 1
114 1 11 GLY H 1 12 PRO HD2 3.900 3.180 4.670 4.678 4.558 4.817 0.147 4 0 "[ . 1 . 2 . ]" 1
115 1 11 GLY HA3 1 12 PRO HD2 2.470 2.200 2.700 2.490 2.237 2.771 0.071 12 0 "[ . 1 . 2 . ]" 1
116 1 11 GLY HA3 1 12 PRO HD3 2.410 2.060 2.630 2.236 2.061 2.414 . 0 0 "[ . 1 . 2 . ]" 1
117 1 12 PRO HA 1 12 PRO HB3 2.730 2.380 3.010 2.320 2.300 2.341 0.080 28 0 "[ . 1 . 2 . ]" 1
118 1 12 PRO HA 1 12 PRO HG3 3.290 2.770 3.820 3.722 2.950 4.096 0.276 13 0 "[ . 1 . 2 . ]" 1
119 1 12 PRO HB2 1 12 PRO HD2 3.850 3.150 4.490 3.667 2.842 4.089 0.308 6 0 "[ . 1 . 2 . ]" 1
120 1 12 PRO HB2 1 13 SER H 4.040 3.280 4.780 3.684 2.914 4.320 0.366 12 0 "[ . 1 . 2 . ]" 1
121 1 12 PRO HD2 1 12 PRO HG2 2.940 2.430 3.270 2.322 2.283 2.382 0.147 22 0 "[ . 1 . 2 . ]" 1
122 1 12 PRO HD2 1 13 SER H 3.710 3.050 4.290 2.729 2.646 2.904 0.404 3 0 "[ . 1 . 2 . ]" 1
123 1 12 PRO HD3 1 12 PRO HG3 2.850 2.460 3.160 2.329 2.303 2.353 0.157 22 0 "[ . 1 . 2 . ]" 1
124 1 12 PRO HD3 1 13 SER H 4.000 3.300 5.000 3.973 3.891 4.128 . 0 0 "[ . 1 . 2 . ]" 1
125 1 13 SER H 1 13 SER HA 3.350 2.810 3.800 2.827 2.781 2.901 0.029 7 0 "[ . 1 . 2 . ]" 1
126 1 13 SER H 1 13 SER QB 3.130 2.680 3.490 2.433 2.191 2.710 0.489 16 0 "[ . 1 . 2 . ]" 1
127 1 13 SER H 1 14 SER H 2.720 2.380 3.000 2.825 2.619 2.975 . 0 0 "[ . 1 . 2 . ]" 1
128 1 13 SER HA 1 13 SER QB 2.690 2.380 2.950 2.356 2.178 2.454 0.202 22 0 "[ . 1 . 2 . ]" 1
129 1 13 SER HA 1 14 SER H 3.500 2.910 4.000 3.539 3.286 3.609 . 0 0 "[ . 1 . 2 . ]" 1
130 1 13 SER HA 1 15 GLY H 3.810 3.120 4.430 3.798 3.545 4.188 . 0 0 "[ . 1 . 2 . ]" 1
131 1 14 SER H 1 14 SER HA 2.900 2.500 3.220 2.886 2.810 2.978 . 0 0 "[ . 1 . 2 . ]" 1
132 1 14 SER H 1 14 SER HB2 2.760 2.400 3.050 2.909 2.308 3.618 0.568 5 1 "[ + 1 . 2 . ]" 1
133 1 14 SER H 1 14 SER HB3 3.510 3.110 3.910 3.430 3.079 3.647 0.031 5 0 "[ . 1 . 2 . ]" 1
134 1 14 SER H 1 15 GLY H 3.090 2.630 3.460 2.765 2.498 3.023 0.132 19 0 "[ . 1 . 2 . ]" 1
135 1 14 SER HA 1 14 SER HB2 3.000 2.800 3.200 2.926 2.588 3.036 0.212 5 0 "[ . 1 . 2 . ]" 1
136 1 14 SER HA 1 14 SER HB3 2.500 2.300 2.700 2.342 2.222 2.583 0.078 9 0 "[ . 1 . 2 . ]" 1
137 1 14 SER HA 1 15 GLY H 3.800 3.070 4.480 3.386 3.125 3.511 . 0 0 "[ . 1 . 2 . ]" 1
138 1 15 GLY H 1 15 GLY HA2 2.410 2.160 2.630 2.300 2.267 2.332 . 0 0 "[ . 1 . 2 . ]" 1
139 1 15 GLY H 1 15 GLY HA3 2.950 2.530 3.280 2.880 2.800 2.925 . 0 0 "[ . 1 . 2 . ]" 1
140 1 15 GLY H 1 16 ARG H 2.830 2.450 3.130 2.802 2.578 3.129 . 0 0 "[ . 1 . 2 . ]" 1
141 1 15 GLY HA2 1 16 ARG H 3.790 3.110 4.410 3.238 3.100 3.447 0.010 28 0 "[ . 1 . 2 . ]" 1
142 1 15 GLY HA3 1 16 ARG H 3.980 3.240 4.680 3.355 3.152 3.483 0.088 1 0 "[ . 1 . 2 . ]" 1
143 1 16 ARG H 1 16 ARG QB 2.960 2.540 3.500 2.536 2.174 3.180 0.366 27 0 "[ . 1 . 2 . ]" 1
144 1 16 ARG HA 1 16 ARG QB 2.740 2.390 3.220 2.263 2.115 2.459 0.275 2 0 "[ . 1 . 2 . ]" 1
145 1 16 ARG HA 1 17 PRO HD2 3.010 2.570 3.360 2.474 2.186 2.709 0.384 23 0 "[ . 1 . 2 . ]" 1
146 1 16 ARG HA 1 17 PRO HD3 2.510 2.130 2.750 2.251 2.052 2.604 0.078 2 0 "[ . 1 . 2 . ]" 1
147 1 16 ARG QB 1 17 PRO HD2 3.290 2.760 3.920 3.479 2.847 3.827 . 0 0 "[ . 1 . 2 . ]" 1
148 1 16 ARG QD 1 16 ARG HE 3.150 2.670 3.740 2.431 2.135 2.528 0.535 7 2 "[ -. + 1 . 2 . ]" 1
149 1 17 PRO HA 1 17 PRO HB3 2.520 2.240 2.760 2.329 2.261 2.366 . 0 0 "[ . 1 . 2 . ]" 1
150 1 17 PRO HA 1 17 PRO HG3 3.570 2.960 4.090 3.326 2.760 4.081 0.200 12 0 "[ . 1 . 2 . ]" 1
151 1 17 PRO HA 1 18 PRO QD 2.140 . 2.320 2.080 2.013 2.140 . 0 0 "[ . 1 . 2 . ]" 1
152 1 17 PRO HB2 1 17 PRO HD2 3.220 2.720 3.720 3.342 2.853 4.110 0.390 23 0 "[ . 1 . 2 . ]" 1
153 1 17 PRO HB2 1 17 PRO HD3 3.700 3.050 4.270 3.892 3.836 4.050 . 0 0 "[ . 1 . 2 . ]" 1
154 1 17 PRO HB3 1 18 PRO QD 3.310 2.800 3.720 3.136 2.496 3.356 0.304 18 0 "[ . 1 . 2 . ]" 1
155 1 17 PRO HD2 1 17 PRO HG2 2.750 2.360 3.060 2.341 2.265 2.374 0.095 22 0 "[ . 1 . 2 . ]" 1
156 1 18 PRO HA 1 18 PRO HB3 2.400 . 2.800 2.272 2.256 2.291 . 0 0 "[ . 1 . 2 . ]" 1
157 1 18 PRO HA 1 19 PRO HD2 2.840 2.590 3.130 2.338 2.280 2.447 0.310 28 0 "[ . 1 . 2 . ]" 1
158 1 18 PRO HA 1 19 PRO HD3 2.550 2.260 2.750 2.305 2.190 2.411 0.070 22 0 "[ . 1 . 2 . ]" 1
159 1 18 PRO HB2 1 19 PRO HD2 3.890 3.170 4.550 3.405 3.069 3.949 0.101 21 0 "[ . 1 . 2 . ]" 1
160 1 18 PRO HB3 1 18 PRO QD 3.900 3.200 4.520 2.882 2.829 2.949 0.371 23 0 "[ . 1 . 2 . ]" 1
161 1 19 PRO HA 1 19 PRO HB3 2.700 2.320 2.910 2.320 2.303 2.340 0.017 15 0 "[ . 1 . 2 . ]" 1
162 1 19 PRO HA 1 20 SER H 2.420 2.170 2.650 2.268 2.151 2.523 0.019 11 0 "[ . 1 . 2 . ]" 1
163 1 19 PRO HB2 1 20 SER H 3.910 3.190 4.580 3.885 2.912 4.478 0.278 9 0 "[ . 1 . 2 . ]" 1
164 1 19 PRO HD2 1 19 PRO HG2 3.000 2.460 3.200 2.310 2.290 2.327 0.170 28 0 "[ . 1 . 2 . ]" 1
165 1 19 PRO HD2 1 19 PRO HG3 3.380 2.830 3.840 2.764 2.735 2.815 0.095 16 0 "[ . 1 . 2 . ]" 1
166 1 19 PRO HD3 1 19 PRO HG2 3.270 2.750 3.690 2.993 2.965 3.007 . 0 0 "[ . 1 . 2 . ]" 1
167 1 19 PRO HD3 1 19 PRO HG3 2.700 2.260 3.050 2.320 2.298 2.337 . 0 0 "[ . 1 . 2 . ]" 1
168 1 20 SER H 1 20 SER HA 3.020 2.580 3.370 2.952 2.869 2.998 . 0 0 "[ . 1 . 2 . ]" 1
169 1 20 SER HA 1 20 SER QB 2.600 2.310 2.850 2.364 2.175 2.572 0.135 6 0 "[ . 1 . 2 . ]" 1
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