NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
371790 |
1cwx   |
4669 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cwx
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 336
_Distance_constraint_stats_list.Viol_count 232
_Distance_constraint_stats_list.Viol_total 142.488
_Distance_constraint_stats_list.Viol_max 0.444
_Distance_constraint_stats_list.Viol_rms 0.0763
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0265
_Distance_constraint_stats_list.Viol_average_violations_only 0.1535
_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 2 THR 0.000 0.000 . 0 "[ ]"
1 3 ASN 0.000 0.000 . 0 "[ ]"
1 4 PRO 0.000 0.000 . 0 "[ ]"
1 5 LYS 0.000 0.000 . 0 "[ ]"
1 6 PRO 0.000 0.000 . 0 "[ ]"
1 7 GLN 0.007 0.007 2 0 "[ ]"
1 8 ARG 0.024 0.017 2 0 "[ ]"
1 9 LYS 0.017 0.017 2 0 "[ ]"
1 10 THR 0.079 0.059 4 0 "[ ]"
1 11 LYS 0.079 0.059 4 0 "[ ]"
1 12 ARG 0.000 0.000 . 0 "[ ]"
1 13 ASN 0.000 0.000 . 0 "[ ]"
1 14 THR 0.000 0.000 . 0 "[ ]"
1 15 ASN 0.000 0.000 . 0 "[ ]"
1 16 ARG 1.716 0.231 2 0 "[ ]"
1 17 ARG 0.960 0.192 3 0 "[ ]"
1 18 PRO 2.730 0.334 3 0 "[ ]"
1 19 GLN 8.637 0.379 2 0 "[ ]"
1 20 ASP 5.845 0.391 3 0 "[ ]"
1 21 VAL 3.621 0.391 3 0 "[ ]"
1 22 LYS 4.912 0.423 4 0 "[ ]"
1 23 PHE 6.950 0.349 3 0 "[ ]"
1 24 PRO 6.091 0.349 3 0 "[ ]"
1 27 GLY 0.792 0.229 1 0 "[ ]"
1 28 GLN 1.421 0.400 1 0 "[ ]"
1 29 ILE 1.851 0.444 3 0 "[ ]"
1 30 VAL 1.706 0.444 3 0 "[ ]"
1 31 GLY 2.621 0.396 3 0 "[ ]"
1 32 GLY 3.635 0.396 3 0 "[ ]"
1 33 VAL 2.682 0.284 4 0 "[ ]"
1 34 TYR 1.884 0.207 3 0 "[ ]"
1 35 LEU 1.152 0.221 1 0 "[ ]"
1 36 LEU 1.996 0.221 1 0 "[ ]"
1 37 PRO 0.968 0.122 1 0 "[ ]"
1 38 ARG 1.060 0.348 4 0 "[ ]"
1 39 ARG 0.661 0.288 4 0 "[ ]"
1 40 GLY 0.036 0.029 1 0 "[ ]"
1 41 PRO 0.036 0.029 1 0 "[ ]"
1 43 LEU 0.002 0.002 1 0 "[ ]"
1 44 GLY 0.002 0.002 1 0 "[ ]"
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 2 THR HA 1 2 THR HG1 2.300 . 3.500 2.323 2.141 2.515 . 0 0 "[ ]" 1
2 1 2 THR HA 1 3 ASN H 3.400 . 3.700 2.967 2.316 3.570 . 0 0 "[ ]" 1
3 1 2 THR HB 1 2 THR HG1 2.300 . 3.500 2.027 1.949 2.058 . 0 0 "[ ]" 1
4 1 3 ASN H 1 3 ASN HB2 3.900 . 4.300 2.910 2.304 3.306 . 0 0 "[ ]" 1
5 1 3 ASN H 1 3 ASN HB3 3.900 . 4.300 3.323 3.095 3.581 . 0 0 "[ ]" 1
6 1 3 ASN H 1 4 PRO HD3 5.000 . 5.500 3.476 2.868 4.714 . 0 0 "[ ]" 1
7 1 3 ASN HA 1 3 ASN HB2 2.800 . 3.100 2.752 2.590 3.005 . 0 0 "[ ]" 1
8 1 3 ASN HA 1 4 PRO HD2 2.800 . 3.100 2.188 2.047 2.508 . 0 0 "[ ]" 1
9 1 3 ASN HA 1 4 PRO HD3 2.300 . 2.500 2.273 1.949 2.455 . 0 0 "[ ]" 1
10 1 3 ASN HA 1 4 PRO QG 5.000 . 6.500 3.895 3.845 3.936 . 0 0 "[ ]" 1
11 1 3 ASN HB2 1 4 PRO HD2 4.500 . 5.000 4.497 3.832 4.796 . 0 0 "[ ]" 1
12 1 3 ASN HB2 1 4 PRO HD3 5.000 . 5.500 4.651 4.524 4.738 . 0 0 "[ ]" 1
13 1 3 ASN HB3 1 4 PRO HD2 4.500 . 5.000 4.069 2.251 4.793 . 0 0 "[ ]" 1
14 1 3 ASN HB3 1 4 PRO HD3 5.000 . 5.500 4.438 3.434 4.786 . 0 0 "[ ]" 1
15 1 5 LYS H 1 5 LYS QG 4.500 . 6.000 3.463 2.746 4.059 . 0 0 "[ ]" 1
16 1 5 LYS H 1 6 PRO HD2 4.500 . 5.000 2.988 1.847 4.822 . 0 0 "[ ]" 1
17 1 5 LYS H 1 6 PRO HD3 3.900 . 4.300 2.991 2.347 4.087 . 0 0 "[ ]" 1
18 1 5 LYS HA 1 6 PRO HD2 4.500 . 5.000 2.977 2.073 3.860 . 0 0 "[ ]" 1
19 1 5 LYS HA 1 6 PRO HD3 5.000 . 5.500 3.069 2.163 3.840 . 0 0 "[ ]" 1
20 1 5 LYS HB3 1 6 PRO HD2 3.900 . 4.300 3.616 2.876 4.259 . 0 0 "[ ]" 1
21 1 6 PRO HA 1 7 GLN H 2.300 . 2.500 2.285 2.216 2.384 . 0 0 "[ ]" 1
22 1 6 PRO HB2 1 7 GLN H 3.900 . 4.300 3.297 2.886 3.680 . 0 0 "[ ]" 1
23 1 6 PRO HB3 1 7 GLN H 3.900 . 4.300 3.870 3.616 4.114 . 0 0 "[ ]" 1
24 1 7 GLN H 1 7 GLN HB2 2.800 . 3.100 2.286 2.152 2.426 . 0 0 "[ ]" 1
25 1 7 GLN H 1 7 GLN HB3 3.400 . 3.700 3.566 3.466 3.657 . 0 0 "[ ]" 1
26 1 7 GLN H 1 7 GLN QG 3.400 . 4.700 2.943 2.601 3.142 . 0 0 "[ ]" 1
27 1 7 GLN H 1 8 ARG H 3.900 . 4.300 3.436 2.198 4.307 0.007 2 0 "[ ]" 1
28 1 7 GLN HA 1 7 GLN QG 2.800 . 4.100 2.180 1.993 2.392 . 0 0 "[ ]" 1
29 1 7 GLN HB2 1 8 ARG H 4.500 . 5.000 3.630 2.359 4.601 . 0 0 "[ ]" 1
30 1 7 GLN HB3 1 8 ARG H 3.900 . 4.300 3.451 1.968 4.168 . 0 0 "[ ]" 1
31 1 7 GLN QG 1 8 ARG H 4.500 . 6.000 4.134 3.918 4.354 . 0 0 "[ ]" 1
32 1 8 ARG HA 1 9 LYS H 2.300 . 2.500 2.313 2.195 2.517 0.017 2 0 "[ ]" 1
33 1 9 LYS H 1 9 LYS QG 3.900 . 5.300 4.133 4.057 4.301 . 0 0 "[ ]" 1
34 1 9 LYS H 1 10 THR H 3.900 . 4.300 3.180 2.285 4.274 . 0 0 "[ ]" 1
35 1 9 LYS HG2 1 10 THR H 3.900 . 4.300 2.965 2.086 4.275 . 0 0 "[ ]" 1
36 1 9 LYS HG3 1 10 THR H 4.500 . 5.000 2.991 1.872 3.879 . 0 0 "[ ]" 1
37 1 10 THR H 1 10 THR HG1 3.400 . 4.700 2.922 2.106 3.672 . 0 0 "[ ]" 1
38 1 10 THR H 1 11 LYS H 3.900 . 4.300 3.879 2.975 4.359 0.059 4 0 "[ ]" 1
39 1 10 THR HA 1 10 THR HG1 2.300 . 3.500 2.170 1.993 2.492 . 0 0 "[ ]" 1
40 1 10 THR HA 1 11 LYS H 3.400 . 3.700 2.979 2.273 3.580 . 0 0 "[ ]" 1
41 1 10 THR HB 1 11 LYS H 3.400 . 3.700 2.798 1.861 3.658 . 0 0 "[ ]" 1
42 1 10 THR HG1 1 11 LYS H 2.300 . 3.500 2.284 1.879 2.959 . 0 0 "[ ]" 1
43 1 11 LYS H 1 11 LYS QG 3.400 . 4.700 3.423 2.228 4.203 . 0 0 "[ ]" 1
44 1 12 ARG H 1 13 ASN H 4.500 . 5.000 4.258 3.670 4.649 . 0 0 "[ ]" 1
45 1 12 ARG HA 1 13 ASN H 2.800 . 3.100 2.435 2.203 2.674 . 0 0 "[ ]" 1
46 1 12 ARG HB2 1 13 ASN H 4.500 . 5.000 4.069 3.634 4.675 . 0 0 "[ ]" 1
47 1 12 ARG HB3 1 13 ASN H 3.900 . 4.300 3.003 2.151 4.191 . 0 0 "[ ]" 1
48 1 13 ASN H 1 14 THR H 5.000 . 5.500 3.506 2.441 4.698 . 0 0 "[ ]" 1
49 1 13 ASN HA 1 14 THR H 4.500 . 5.000 2.977 2.241 3.587 . 0 0 "[ ]" 1
50 1 13 ASN QB 1 14 THR H 2.300 . 3.500 2.388 2.056 3.019 . 0 0 "[ ]" 1
51 1 14 THR H 1 14 THR HB 3.900 . 4.300 3.256 2.610 3.705 . 0 0 "[ ]" 1
52 1 14 THR H 1 14 THR HG1 3.400 . 4.700 2.746 2.157 3.400 . 0 0 "[ ]" 1
53 1 14 THR H 1 15 ASN H 3.400 . 3.700 2.774 1.964 3.612 . 0 0 "[ ]" 1
54 1 14 THR HG1 1 15 ASN H 3.400 . 4.700 3.076 1.843 3.599 . 0 0 "[ ]" 1
55 1 16 ARG H 1 16 ARG HB2 2.300 . 2.500 2.033 2.028 2.040 . 0 0 "[ ]" 1
56 1 16 ARG H 1 16 ARG HB3 2.800 . 3.100 3.300 3.278 3.331 0.231 2 0 "[ ]" 1
57 1 16 ARG H 1 16 ARG QG 2.300 . 3.500 3.232 3.118 3.297 . 0 0 "[ ]" 1
58 1 16 ARG H 1 17 ARG H 3.900 . 4.300 4.465 4.426 4.492 0.192 3 0 "[ ]" 1
59 1 16 ARG HA 1 17 ARG H 2.300 . 2.500 2.498 2.444 2.562 0.062 4 0 "[ ]" 1
60 1 16 ARG HA 1 19 GLN HB2 4.500 . 5.000 2.893 2.848 2.948 . 0 0 "[ ]" 1
61 1 16 ARG HA 1 19 GLN HB3 3.900 . 4.300 4.172 4.035 4.333 0.033 1 0 "[ ]" 1
62 1 16 ARG HA 1 19 GLN QG 3.900 . 5.300 4.864 4.843 4.886 . 0 0 "[ ]" 1
63 1 16 ARG HB2 1 17 ARG H 3.400 . 3.700 3.704 3.608 3.775 0.075 3 0 "[ ]" 1
64 1 16 ARG QD 1 19 GLN HB3 5.000 . 6.500 2.595 2.446 2.843 . 0 0 "[ ]" 1
65 1 16 ARG QD 1 19 GLN QG 5.000 . 7.500 4.169 3.851 4.531 . 0 0 "[ ]" 1
66 1 16 ARG QG 1 17 ARG H 3.900 . 5.300 3.093 2.939 3.220 . 0 0 "[ ]" 1
67 1 17 ARG H 1 17 ARG QB 3.400 . 4.700 3.234 3.136 3.289 . 0 0 "[ ]" 1
68 1 17 ARG H 1 17 ARG QD 5.000 . 6.500 4.219 3.914 4.417 . 0 0 "[ ]" 1
69 1 17 ARG H 1 19 GLN H 5.000 . 5.500 2.465 2.120 2.746 . 0 0 "[ ]" 1
70 1 17 ARG H 1 20 ASP HB2 3.900 . 4.300 3.935 3.757 4.157 . 0 0 "[ ]" 1
71 1 17 ARG H 1 20 ASP HB3 4.500 . 5.000 3.708 3.423 3.959 . 0 0 "[ ]" 1
72 1 17 ARG HA 1 20 ASP H 4.500 . 5.000 4.989 4.953 5.016 0.016 2 0 "[ ]" 1
73 1 17 ARG HA 1 20 ASP HB2 3.900 . 4.300 4.268 4.121 4.322 0.022 1 0 "[ ]" 1
74 1 17 ARG HA 1 20 ASP HB3 3.900 . 4.300 3.326 3.202 3.404 . 0 0 "[ ]" 1
75 1 17 ARG QB 1 19 GLN H 4.500 . 6.000 4.132 3.942 4.304 . 0 0 "[ ]" 1
76 1 17 ARG QD 1 20 ASP HB2 5.000 . 6.500 5.419 5.098 5.569 . 0 0 "[ ]" 1
77 1 17 ARG QD 1 20 ASP HB3 5.000 . 6.500 4.503 3.924 5.270 . 0 0 "[ ]" 1
78 1 17 ARG QG 1 19 GLN H 4.500 . 6.000 5.234 4.993 5.429 . 0 0 "[ ]" 1
79 1 18 PRO HA 1 18 PRO HD2 3.900 . 4.300 4.075 4.055 4.097 . 0 0 "[ ]" 1
80 1 18 PRO HA 1 18 PRO HD3 3.900 . 4.300 3.824 3.760 3.864 . 0 0 "[ ]" 1
81 1 18 PRO HA 1 19 GLN H 2.800 . 3.100 3.372 3.357 3.393 0.293 4 0 "[ ]" 1
82 1 18 PRO HA 1 19 GLN HE21 5.000 . 5.500 5.177 5.065 5.255 . 0 0 "[ ]" 1
83 1 18 PRO HA 1 21 VAL H 5.000 . 5.500 3.496 3.404 3.572 . 0 0 "[ ]" 1
84 1 18 PRO HA 1 21 VAL HB 3.900 . 4.300 3.648 3.517 3.875 . 0 0 "[ ]" 1
85 1 18 PRO HB2 1 19 GLN H 3.400 . 3.700 3.340 3.240 3.386 . 0 0 "[ ]" 1
86 1 18 PRO HB2 1 19 GLN HA 4.500 . 5.000 4.189 4.158 4.214 . 0 0 "[ ]" 1
87 1 18 PRO HB3 1 19 GLN H 3.400 . 3.700 4.015 3.965 4.034 0.334 3 0 "[ ]" 1
88 1 18 PRO HB3 1 19 GLN HA 5.000 . 5.500 5.596 5.585 5.607 0.107 2 0 "[ ]" 1
89 1 18 PRO HD2 1 19 GLN H 3.900 . 4.300 2.028 1.937 2.160 . 0 0 "[ ]" 1
90 1 18 PRO HD3 1 19 GLN H 4.500 . 5.000 3.368 3.325 3.443 . 0 0 "[ ]" 1
91 1 19 GLN H 1 19 GLN HA 2.800 . 3.100 2.919 2.909 2.925 . 0 0 "[ ]" 1
92 1 19 GLN H 1 19 GLN HB2 2.800 . 3.100 2.022 2.000 2.032 . 0 0 "[ ]" 1
93 1 19 GLN H 1 19 GLN HB3 2.800 . 3.100 3.290 3.265 3.325 0.225 4 0 "[ ]" 1
94 1 19 GLN H 1 19 GLN HE21 4.500 . 5.000 3.199 3.105 3.369 . 0 0 "[ ]" 1
95 1 19 GLN H 1 19 GLN HE22 4.500 . 5.000 4.324 4.215 4.423 . 0 0 "[ ]" 1
96 1 19 GLN H 1 19 GLN QG 2.800 . 4.100 3.469 3.380 3.518 . 0 0 "[ ]" 1
97 1 19 GLN H 1 20 ASP H 2.800 . 3.100 3.016 2.980 3.057 . 0 0 "[ ]" 1
98 1 19 GLN H 1 20 ASP HB2 5.000 . 5.500 4.694 4.612 4.737 . 0 0 "[ ]" 1
99 1 19 GLN H 1 21 VAL H 3.900 . 4.300 4.325 4.305 4.354 0.054 2 0 "[ ]" 1
100 1 19 GLN HA 1 19 GLN HB3 2.300 . 2.500 2.682 2.647 2.699 0.199 1 0 "[ ]" 1
101 1 19 GLN HA 1 19 GLN QG 2.300 . 3.500 1.934 1.920 1.957 . 0 0 "[ ]" 1
102 1 19 GLN HA 1 20 ASP H 2.300 . 2.500 2.633 2.611 2.653 0.153 3 0 "[ ]" 1
103 1 19 GLN HA 1 20 ASP HB2 4.500 . 5.000 5.149 5.135 5.158 0.158 3 0 "[ ]" 1
104 1 19 GLN HA 1 20 ASP HB3 4.500 . 5.000 5.070 5.051 5.091 0.091 1 0 "[ ]" 1
105 1 19 GLN HA 1 22 LYS QB 3.400 . 4.700 4.261 4.225 4.293 . 0 0 "[ ]" 1
106 1 19 GLN HA 1 22 LYS QD 5.000 . 6.500 2.398 2.312 2.485 . 0 0 "[ ]" 1
107 1 19 GLN HA 1 22 LYS HG3 5.000 . 5.500 3.581 3.415 3.698 . 0 0 "[ ]" 1
108 1 19 GLN HB2 1 20 ASP H 3.400 . 3.700 4.070 4.065 4.079 0.379 2 0 "[ ]" 1
109 1 19 GLN HB3 1 20 ASP H 3.400 . 3.700 4.033 4.021 4.051 0.351 4 0 "[ ]" 1
110 1 19 GLN HE21 1 20 ASP H 5.000 . 5.500 5.378 5.319 5.450 . 0 0 "[ ]" 1
111 1 19 GLN HE21 1 22 LYS HG2 5.000 . 5.500 5.517 5.510 5.522 0.022 1 0 "[ ]" 1
112 1 19 GLN QG 1 20 ASP H 3.400 . 4.700 4.293 4.282 4.303 . 0 0 "[ ]" 1
113 1 20 ASP H 1 20 ASP HB2 3.400 . 3.700 3.476 3.444 3.519 . 0 0 "[ ]" 1
114 1 20 ASP H 1 20 ASP HB3 2.800 . 3.100 2.787 2.759 2.825 . 0 0 "[ ]" 1
115 1 20 ASP H 1 21 VAL H 2.800 . 3.100 1.902 1.853 1.929 . 0 0 "[ ]" 1
116 1 20 ASP H 1 22 LYS H 3.900 . 4.300 2.726 2.686 2.813 . 0 0 "[ ]" 1
117 1 20 ASP HA 1 23 PHE QE 5.000 . 7.500 6.009 5.962 6.059 . 0 0 "[ ]" 1
118 1 20 ASP HB2 1 21 VAL H 3.900 . 4.300 3.870 3.834 3.890 . 0 0 "[ ]" 1
119 1 20 ASP HB2 1 21 VAL HA 4.500 . 5.000 5.388 5.386 5.391 0.391 3 0 "[ ]" 1
120 1 20 ASP HB2 1 22 LYS H 5.000 . 5.500 5.212 5.201 5.219 . 0 0 "[ ]" 1
121 1 20 ASP HB2 1 23 PHE QE 5.000 . 7.500 7.071 7.001 7.119 . 0 0 "[ ]" 1
122 1 20 ASP HB3 1 21 VAL H 3.900 . 4.300 2.523 2.471 2.557 . 0 0 "[ ]" 1
123 1 20 ASP HB3 1 22 LYS H 4.500 . 5.000 4.567 4.533 4.595 . 0 0 "[ ]" 1
124 1 21 VAL H 1 21 VAL HA 2.800 . 3.100 2.855 2.853 2.858 . 0 0 "[ ]" 1
125 1 21 VAL H 1 21 VAL HB 2.800 . 3.100 2.668 2.500 2.923 . 0 0 "[ ]" 1
126 1 21 VAL H 1 21 VAL QG 2.300 . 4.500 2.196 1.905 2.455 . 0 0 "[ ]" 1
127 1 21 VAL H 1 22 LYS H 2.800 . 3.100 2.613 2.605 2.622 . 0 0 "[ ]" 1
128 1 21 VAL H 1 22 LYS HG3 5.000 . 5.500 4.253 4.105 4.336 . 0 0 "[ ]" 1
129 1 21 VAL H 1 23 PHE H 5.000 . 5.500 4.133 4.109 4.154 . 0 0 "[ ]" 1
130 1 21 VAL HA 1 21 VAL HB 2.800 . 3.100 3.016 2.989 3.028 . 0 0 "[ ]" 1
131 1 21 VAL HA 1 21 VAL QG 2.300 . 4.500 2.019 1.967 2.054 . 0 0 "[ ]" 1
132 1 21 VAL HA 1 22 LYS H 2.800 . 3.100 3.179 3.171 3.186 0.086 3 0 "[ ]" 1
133 1 21 VAL HA 1 22 LYS HG2 4.500 . 5.000 5.160 5.143 5.175 0.175 4 0 "[ ]" 1
134 1 21 VAL HA 1 22 LYS HG3 4.500 . 5.000 5.017 4.978 5.035 0.035 3 0 "[ ]" 1
135 1 21 VAL HA 1 24 PRO HD2 5.000 . 5.500 5.427 5.347 5.504 0.004 4 0 "[ ]" 1
136 1 21 VAL HA 1 24 PRO HD3 3.900 . 4.300 4.529 4.491 4.572 0.272 2 0 "[ ]" 1
137 1 21 VAL HB 1 22 LYS H 3.400 . 3.700 3.646 3.629 3.671 . 0 0 "[ ]" 1
138 1 21 VAL HB 1 23 PHE QE 4.500 . 7.000 4.641 4.192 5.034 . 0 0 "[ ]" 1
139 1 22 LYS H 1 22 LYS HA 2.300 . 2.500 2.920 2.919 2.923 0.423 4 0 "[ ]" 1
140 1 22 LYS H 1 22 LYS QE 4.500 . 6.000 4.136 4.100 4.165 . 0 0 "[ ]" 1
141 1 22 LYS H 1 22 LYS HG2 3.900 . 4.300 2.101 2.070 2.146 . 0 0 "[ ]" 1
142 1 22 LYS H 1 22 LYS HG3 3.400 . 3.700 1.996 1.911 2.035 . 0 0 "[ ]" 1
143 1 22 LYS H 1 23 PHE H 2.300 . 2.500 2.134 2.066 2.166 . 0 0 "[ ]" 1
144 1 22 LYS H 1 23 PHE QD 4.500 . 7.000 4.011 3.883 4.205 . 0 0 "[ ]" 1
145 1 22 LYS H 1 23 PHE QE 3.900 . 6.300 4.629 4.512 4.801 . 0 0 "[ ]" 1
146 1 22 LYS H 1 24 PRO HB3 3.900 . 4.300 4.616 4.603 4.633 0.333 1 0 "[ ]" 1
147 1 22 LYS H 1 24 PRO HD2 3.900 . 4.300 4.196 4.123 4.249 . 0 0 "[ ]" 1
148 1 22 LYS H 1 24 PRO HD3 4.500 . 5.000 2.538 2.478 2.570 . 0 0 "[ ]" 1
149 1 22 LYS HA 1 23 PHE H 2.800 . 3.100 3.169 3.148 3.200 0.100 2 0 "[ ]" 1
150 1 22 LYS HA 1 23 PHE QE 4.500 . 7.000 4.018 3.980 4.084 . 0 0 "[ ]" 1
151 1 22 LYS QB 1 23 PHE H 2.800 . 4.100 3.805 3.773 3.830 . 0 0 "[ ]" 1
152 1 22 LYS QB 1 23 PHE QE 3.900 . 7.300 5.491 5.442 5.585 . 0 0 "[ ]" 1
153 1 22 LYS QD 1 23 PHE H 3.400 . 4.700 4.424 4.396 4.444 . 0 0 "[ ]" 1
154 1 22 LYS QE 1 23 PHE H 4.500 . 6.000 5.376 5.344 5.404 . 0 0 "[ ]" 1
155 1 22 LYS HG2 1 23 PHE H 4.500 . 5.000 3.871 3.826 3.912 . 0 0 "[ ]" 1
156 1 22 LYS HG2 1 23 PHE QE 5.000 . 7.500 6.465 6.358 6.610 . 0 0 "[ ]" 1
157 1 22 LYS HG2 1 29 ILE HB 4.500 . 5.000 4.569 4.473 4.701 . 0 0 "[ ]" 1
158 1 22 LYS HG3 1 23 PHE H 4.500 . 5.000 2.695 2.675 2.726 . 0 0 "[ ]" 1
159 1 22 LYS HG3 1 23 PHE QE 5.000 . 7.500 5.906 5.835 6.051 . 0 0 "[ ]" 1
160 1 22 LYS HG3 1 29 ILE HB 3.400 . 3.700 3.844 3.714 3.946 0.246 1 0 "[ ]" 1
161 1 23 PHE H 1 23 PHE HB2 2.800 . 3.100 3.335 3.317 3.373 0.273 2 0 "[ ]" 1
162 1 23 PHE H 1 23 PHE HB3 3.400 . 3.700 3.850 3.844 3.860 0.160 2 0 "[ ]" 1
163 1 23 PHE H 1 24 PRO HD2 3.900 . 4.300 3.077 3.007 3.155 . 0 0 "[ ]" 1
164 1 23 PHE H 1 24 PRO HD3 3.900 . 4.300 1.957 1.874 2.030 . 0 0 "[ ]" 1
165 1 23 PHE HA 1 23 PHE HB3 2.800 . 3.100 2.394 2.385 2.401 . 0 0 "[ ]" 1
166 1 23 PHE HA 1 23 PHE QE 2.800 . 5.100 4.389 4.376 4.409 . 0 0 "[ ]" 1
167 1 23 PHE HA 1 24 PRO HB2 4.500 . 5.000 5.337 5.329 5.345 0.345 3 0 "[ ]" 1
168 1 23 PHE HA 1 24 PRO HB3 4.500 . 5.000 5.025 5.013 5.033 0.033 2 0 "[ ]" 1
169 1 23 PHE HA 1 24 PRO HD2 2.300 . 2.500 1.857 1.844 1.870 . 0 0 "[ ]" 1
170 1 23 PHE HA 1 24 PRO HD3 2.300 . 2.500 2.344 2.314 2.366 . 0 0 "[ ]" 1
171 1 23 PHE HA 1 32 GLY H 5.000 . 5.500 5.748 5.682 5.786 0.286 3 0 "[ ]" 1
172 1 23 PHE HB2 1 23 PHE QE 2.800 . 5.100 4.455 4.440 4.468 . 0 0 "[ ]" 1
173 1 23 PHE HB2 1 24 PRO HD2 3.900 . 4.300 4.642 4.638 4.649 0.349 3 0 "[ ]" 1
174 1 23 PHE HB2 1 24 PRO HD3 3.900 . 4.300 4.356 4.339 4.372 0.072 4 0 "[ ]" 1
175 1 23 PHE HB2 1 27 GLY H 4.500 . 5.000 5.027 4.983 5.083 0.083 1 0 "[ ]" 1
176 1 23 PHE HB3 1 23 PHE QE 2.300 . 4.500 4.439 4.435 4.446 . 0 0 "[ ]" 1
177 1 23 PHE HB3 1 24 PRO HD2 3.900 . 4.300 4.114 4.083 4.136 . 0 0 "[ ]" 1
178 1 23 PHE HB3 1 24 PRO HD3 3.900 . 4.300 4.517 4.507 4.524 0.224 1 0 "[ ]" 1
179 1 23 PHE HB3 1 27 GLY H 4.500 . 5.000 4.941 4.659 5.058 0.058 3 0 "[ ]" 1
180 1 23 PHE QD 1 24 PRO HD2 4.500 . 7.000 4.196 4.130 4.256 . 0 0 "[ ]" 1
181 1 23 PHE QD 1 33 VAL HA 4.500 . 7.000 4.476 3.209 4.937 . 0 0 "[ ]" 1
182 1 23 PHE QD 1 33 VAL MG1 5.000 . 8.500 5.311 4.579 5.595 . 0 0 "[ ]" 1
183 1 23 PHE QD 1 33 VAL MG2 5.000 . 8.500 2.922 2.188 3.258 . 0 0 "[ ]" 1
184 1 23 PHE QE 1 24 PRO HD2 3.900 . 6.300 5.514 5.489 5.543 . 0 0 "[ ]" 1
185 1 23 PHE QE 1 24 PRO HD3 3.900 . 6.300 5.351 5.304 5.429 . 0 0 "[ ]" 1
186 1 23 PHE QE 1 33 VAL HA 3.900 . 6.300 2.842 2.729 2.919 . 0 0 "[ ]" 1
187 1 23 PHE QE 1 33 VAL MG1 3.900 . 7.300 4.304 4.186 4.462 . 0 0 "[ ]" 1
188 1 23 PHE QE 1 33 VAL MG2 3.900 . 7.300 2.097 1.883 2.493 . 0 0 "[ ]" 1
189 1 24 PRO HA 1 24 PRO HD2 3.900 . 4.300 4.074 4.071 4.075 . 0 0 "[ ]" 1
190 1 24 PRO HB3 1 24 PRO HD2 3.900 . 4.300 3.937 3.934 3.938 . 0 0 "[ ]" 1
191 1 27 GLY H 1 28 GLN H 2.800 . 3.100 3.007 2.439 3.286 0.186 1 0 "[ ]" 1
192 1 27 GLY H 1 29 ILE H 3.900 . 4.300 4.013 2.880 4.529 0.229 1 0 "[ ]" 1
193 1 27 GLY QA 1 28 GLN H 2.300 . 3.500 2.294 2.210 2.465 . 0 0 "[ ]" 1
194 1 28 GLN H 1 28 GLN HB2 2.800 . 3.100 2.538 2.303 2.829 . 0 0 "[ ]" 1
195 1 28 GLN H 1 28 GLN HB3 2.800 . 3.100 3.300 3.104 3.500 0.400 1 0 "[ ]" 1
196 1 28 GLN H 1 28 GLN QG 2.800 . 4.100 3.302 1.793 3.894 . 0 0 "[ ]" 1
197 1 28 GLN H 1 29 ILE H 2.800 . 3.100 2.216 1.832 2.873 . 0 0 "[ ]" 1
198 1 28 GLN H 1 30 VAL H 3.900 . 4.300 4.057 3.720 4.412 0.112 3 0 "[ ]" 1
199 1 28 GLN HB2 1 29 ILE H 3.400 . 3.700 3.539 3.256 3.918 0.218 3 0 "[ ]" 1
200 1 28 GLN QG 1 29 ILE H 3.400 . 4.700 4.314 3.952 4.489 . 0 0 "[ ]" 1
201 1 29 ILE H 1 31 GLY H 3.900 . 4.300 3.536 3.222 4.303 0.003 3 0 "[ ]" 1
202 1 29 ILE HA 1 29 ILE HB 2.800 . 3.100 2.294 2.282 2.302 . 0 0 "[ ]" 1
203 1 29 ILE HA 1 29 ILE HG13 3.400 . 3.700 3.607 3.548 3.748 0.048 3 0 "[ ]" 1
204 1 29 ILE HA 1 29 ILE MG 2.300 . 3.500 2.780 2.644 3.120 . 0 0 "[ ]" 1
205 1 29 ILE HA 1 30 VAL QG 3.900 . 6.700 4.498 4.445 4.549 . 0 0 "[ ]" 1
206 1 29 ILE HA 1 31 GLY H 5.000 . 5.500 3.397 3.288 3.493 . 0 0 "[ ]" 1
207 1 29 ILE HA 1 32 GLY H 3.900 . 4.300 3.485 3.358 3.636 . 0 0 "[ ]" 1
208 1 29 ILE HA 1 33 VAL H 5.000 . 5.500 4.445 4.042 4.699 . 0 0 "[ ]" 1
209 1 29 ILE HA 1 34 TYR QD 5.000 . 7.500 5.565 5.504 5.633 . 0 0 "[ ]" 1
210 1 29 ILE HA 1 34 TYR QE 5.000 . 7.500 5.061 4.914 5.140 . 0 0 "[ ]" 1
211 1 29 ILE HB 1 29 ILE MD 3.400 . 4.700 2.260 1.951 3.154 . 0 0 "[ ]" 1
212 1 29 ILE HB 1 29 ILE MG 2.300 . 3.500 2.100 2.098 2.102 . 0 0 "[ ]" 1
213 1 29 ILE HB 1 30 VAL HA 4.500 . 5.000 5.184 5.071 5.444 0.444 3 0 "[ ]" 1
214 1 29 ILE MD 1 29 ILE HG13 2.300 . 3.500 2.112 2.104 2.117 . 0 0 "[ ]" 1
215 1 29 ILE MD 1 30 VAL HB 5.000 . 6.500 4.466 3.589 4.886 . 0 0 "[ ]" 1
216 1 29 ILE MD 1 34 TYR QD 4.500 . 8.000 5.335 5.140 5.450 . 0 0 "[ ]" 1
217 1 29 ILE MD 1 34 TYR QE 5.000 . 8.500 3.630 3.436 3.732 . 0 0 "[ ]" 1
218 1 29 ILE HG13 1 29 ILE MG 2.300 . 3.500 2.661 2.535 2.734 . 0 0 "[ ]" 1
219 1 30 VAL H 1 30 VAL HB 2.300 . 2.500 2.511 2.501 2.522 0.022 1 0 "[ ]" 1
220 1 30 VAL H 1 31 GLY H 2.800 . 3.100 2.582 2.391 2.780 . 0 0 "[ ]" 1
221 1 30 VAL HA 1 33 VAL HB 3.400 . 3.700 3.790 3.765 3.819 0.119 2 0 "[ ]" 1
222 1 30 VAL HA 1 33 VAL QG 3.400 . 6.100 3.976 3.774 4.086 . 0 0 "[ ]" 1
223 1 30 VAL HA 1 34 TYR H 5.000 . 5.500 5.378 5.324 5.516 0.016 3 0 "[ ]" 1
224 1 30 VAL HA 1 34 TYR QD 5.000 . 7.500 3.721 3.646 3.896 . 0 0 "[ ]" 1
225 1 30 VAL HB 1 31 GLY H 3.400 . 3.700 3.809 3.788 3.829 0.129 4 0 "[ ]" 1
226 1 30 VAL QG 1 31 GLY H 2.800 . 5.500 3.707 3.693 3.716 . 0 0 "[ ]" 1
227 1 30 VAL QG 1 34 TYR QD 3.900 . 8.700 3.798 3.668 4.054 . 0 0 "[ ]" 1
228 1 31 GLY H 1 32 GLY H 3.400 . 3.700 1.893 1.826 1.956 . 0 0 "[ ]" 1
229 1 31 GLY H 1 33 VAL H 3.900 . 4.300 3.300 3.005 3.447 . 0 0 "[ ]" 1
230 1 31 GLY HA2 1 32 GLY H 2.800 . 3.100 3.470 3.409 3.496 0.396 3 0 "[ ]" 1
231 1 31 GLY HA2 1 34 TYR HB2 3.400 . 3.700 2.239 2.178 2.396 . 0 0 "[ ]" 1
232 1 31 GLY HA2 1 34 TYR HB3 3.900 . 4.300 3.626 3.573 3.746 . 0 0 "[ ]" 1
233 1 31 GLY HA2 1 34 TYR QD 4.500 . 7.000 2.212 2.094 2.323 . 0 0 "[ ]" 1
234 1 31 GLY HA2 1 34 TYR QE 4.500 . 7.000 3.859 3.606 3.991 . 0 0 "[ ]" 1
235 1 31 GLY HA3 1 32 GLY H 2.800 . 3.100 3.105 3.050 3.174 0.074 2 0 "[ ]" 1
236 1 31 GLY HA3 1 34 TYR HB2 3.900 . 4.300 3.601 3.573 3.664 . 0 0 "[ ]" 1
237 1 31 GLY HA3 1 34 TYR HB3 4.500 . 5.000 5.155 5.125 5.207 0.207 3 0 "[ ]" 1
238 1 31 GLY HA3 1 34 TYR QD 3.900 . 6.300 3.448 3.375 3.516 . 0 0 "[ ]" 1
239 1 31 GLY HA3 1 34 TYR QE 5.000 . 7.500 4.909 4.714 5.009 . 0 0 "[ ]" 1
240 1 32 GLY H 1 33 VAL H 2.800 . 3.100 2.296 2.206 2.332 . 0 0 "[ ]" 1
241 1 32 GLY H 1 34 TYR H 3.900 . 4.300 3.502 3.399 3.579 . 0 0 "[ ]" 1
242 1 32 GLY H 1 34 TYR QD 4.500 . 7.000 2.970 2.794 3.147 . 0 0 "[ ]" 1
243 1 32 GLY H 1 34 TYR QE 4.500 . 7.000 4.057 3.845 4.244 . 0 0 "[ ]" 1
244 1 32 GLY HA2 1 33 VAL H 2.800 . 3.100 3.371 3.354 3.384 0.284 4 0 "[ ]" 1
245 1 32 GLY HA2 1 34 TYR QD 5.000 . 7.500 4.065 4.044 4.095 . 0 0 "[ ]" 1
246 1 32 GLY HA2 1 34 TYR QE 4.500 . 7.000 5.970 5.921 6.024 . 0 0 "[ ]" 1
247 1 32 GLY HA2 1 35 LEU H 4.500 . 5.000 2.551 2.422 2.737 . 0 0 "[ ]" 1
248 1 32 GLY HA3 1 33 VAL H 2.800 . 3.100 3.028 3.003 3.082 . 0 0 "[ ]" 1
249 1 32 GLY HA3 1 35 LEU QB 2.300 . 3.500 3.054 2.984 3.120 . 0 0 "[ ]" 1
250 1 33 VAL H 1 33 VAL QG 2.300 . 4.900 2.631 2.561 2.707 . 0 0 "[ ]" 1
251 1 33 VAL H 1 34 TYR H 2.800 . 3.100 2.191 2.159 2.214 . 0 0 "[ ]" 1
252 1 33 VAL H 1 34 TYR HB2 4.500 . 5.000 4.280 4.253 4.301 . 0 0 "[ ]" 1
253 1 33 VAL H 1 34 TYR HB3 5.000 . 5.500 5.551 5.526 5.565 0.065 1 0 "[ ]" 1
254 1 33 VAL H 1 34 TYR QD 4.500 . 7.000 2.188 2.162 2.213 . 0 0 "[ ]" 1
255 1 33 VAL H 1 35 LEU H 3.900 . 4.300 3.525 3.499 3.544 . 0 0 "[ ]" 1
256 1 33 VAL HA 1 33 VAL HB 2.800 . 3.100 3.032 3.028 3.037 . 0 0 "[ ]" 1
257 1 33 VAL HA 1 33 VAL QG 2.300 . 4.900 2.062 2.032 2.100 . 0 0 "[ ]" 1
258 1 33 VAL HA 1 34 TYR H 2.800 . 3.100 3.273 3.265 3.279 0.179 3 0 "[ ]" 1
259 1 33 VAL HA 1 34 TYR QD 3.900 . 6.300 4.309 4.272 4.350 . 0 0 "[ ]" 1
260 1 33 VAL HA 1 36 LEU H 4.500 . 5.000 3.845 3.754 3.934 . 0 0 "[ ]" 1
261 1 33 VAL HA 1 36 LEU QB 2.800 . 4.100 3.711 3.686 3.739 . 0 0 "[ ]" 1
262 1 33 VAL HA 1 36 LEU HG 4.500 . 5.000 2.019 1.934 2.113 . 0 0 "[ ]" 1
263 1 33 VAL HB 1 34 TYR H 2.800 . 3.100 3.186 3.167 3.203 0.103 4 0 "[ ]" 1
264 1 33 VAL HB 1 34 TYR QD 5.000 . 7.500 2.819 2.759 2.892 . 0 0 "[ ]" 1
265 1 33 VAL HB 1 34 TYR QE 5.000 . 7.500 2.112 2.070 2.166 . 0 0 "[ ]" 1
266 1 33 VAL HB 1 36 LEU HG 4.500 . 5.000 4.655 4.559 4.787 . 0 0 "[ ]" 1
267 1 33 VAL QG 1 34 TYR H 2.300 . 4.900 3.424 3.412 3.437 . 0 0 "[ ]" 1
268 1 33 VAL QG 1 34 TYR HA 4.500 . 7.400 3.646 3.600 3.701 . 0 0 "[ ]" 1
269 1 33 VAL QG 1 34 TYR QD 2.800 . 7.500 3.421 3.398 3.443 . 0 0 "[ ]" 1
270 1 33 VAL QG 1 34 TYR QE 3.400 . 8.100 2.953 2.922 2.982 . 0 0 "[ ]" 1
271 1 33 VAL QG 1 35 LEU H 4.500 . 7.400 4.348 4.272 4.385 . 0 0 "[ ]" 1
272 1 33 VAL QG 1 36 LEU H 4.500 . 7.400 4.407 4.300 4.453 . 0 0 "[ ]" 1
273 1 34 TYR H 1 36 LEU H 3.400 . 3.700 3.536 3.497 3.573 . 0 0 "[ ]" 1
274 1 34 TYR HA 1 34 TYR HB2 2.800 . 3.100 3.042 3.040 3.044 . 0 0 "[ ]" 1
275 1 34 TYR HA 1 34 TYR HB3 2.800 . 3.100 2.433 2.426 2.442 . 0 0 "[ ]" 1
276 1 34 TYR HA 1 34 TYR QD 3.400 . 5.700 3.044 3.027 3.067 . 0 0 "[ ]" 1
277 1 34 TYR HA 1 34 TYR QE 4.500 . 7.000 4.622 4.603 4.641 . 0 0 "[ ]" 1
278 1 34 TYR HA 1 35 LEU H 3.400 . 3.700 3.368 3.319 3.395 . 0 0 "[ ]" 1
279 1 34 TYR HB2 1 34 TYR QD 2.300 . 4.500 2.490 2.480 2.505 . 0 0 "[ ]" 1
280 1 34 TYR HB2 1 35 LEU H 3.400 . 3.700 3.168 3.080 3.323 . 0 0 "[ ]" 1
281 1 34 TYR HB3 1 34 TYR QD 2.300 . 4.500 2.360 2.356 2.363 . 0 0 "[ ]" 1
282 1 34 TYR HB3 1 35 LEU H 3.900 . 4.300 4.217 4.156 4.309 0.009 2 0 "[ ]" 1
283 1 34 TYR QD 1 36 LEU H 5.000 . 7.500 5.063 5.041 5.090 . 0 0 "[ ]" 1
284 1 34 TYR QD 1 36 LEU HG 3.900 . 6.300 4.981 4.896 5.121 . 0 0 "[ ]" 1
285 1 34 TYR QE 1 36 LEU QB 5.000 . 8.500 6.911 6.889 6.937 . 0 0 "[ ]" 1
286 1 34 TYR QE 1 36 LEU QD 3.900 . 8.700 5.337 5.230 5.414 . 0 0 "[ ]" 1
287 1 34 TYR QE 1 36 LEU HG 4.500 . 7.000 6.157 6.072 6.270 . 0 0 "[ ]" 1
288 1 35 LEU H 1 35 LEU QB 2.300 . 3.500 2.224 2.113 2.303 . 0 0 "[ ]" 1
289 1 35 LEU H 1 35 LEU HG 2.800 . 3.100 2.848 2.605 3.216 0.116 2 0 "[ ]" 1
290 1 35 LEU H 1 36 LEU H 2.800 . 3.100 2.270 2.168 2.316 . 0 0 "[ ]" 1
291 1 35 LEU HA 1 36 LEU H 2.800 . 3.100 3.210 3.177 3.272 0.172 2 0 "[ ]" 1
292 1 35 LEU QB 1 36 LEU H 2.800 . 4.100 3.430 3.370 3.558 . 0 0 "[ ]" 1
293 1 35 LEU HG 1 36 LEU H 3.900 . 4.300 4.178 3.223 4.521 0.221 1 0 "[ ]" 1
294 1 36 LEU H 1 36 LEU QD 3.400 . 6.100 2.728 2.648 2.786 . 0 0 "[ ]" 1
295 1 36 LEU H 1 37 PRO HD2 3.900 . 4.300 1.869 1.817 1.894 . 0 0 "[ ]" 1
296 1 36 LEU H 1 37 PRO HD3 3.900 . 4.300 2.255 2.152 2.342 . 0 0 "[ ]" 1
297 1 36 LEU H 1 38 ARG H 5.000 . 5.500 4.462 4.023 5.487 . 0 0 "[ ]" 1
298 1 36 LEU HA 1 36 LEU QD 2.800 . 5.500 1.948 1.893 1.977 . 0 0 "[ ]" 1
299 1 36 LEU HA 1 36 LEU HG 3.400 . 3.700 3.291 3.253 3.376 . 0 0 "[ ]" 1
300 1 36 LEU HA 1 37 PRO HD2 3.400 . 3.700 3.809 3.796 3.822 0.122 1 0 "[ ]" 1
301 1 36 LEU HA 1 37 PRO HD3 3.400 . 3.700 3.795 3.773 3.814 0.114 3 0 "[ ]" 1
302 1 36 LEU HA 1 37 PRO QG 4.500 . 6.000 5.246 5.245 5.247 . 0 0 "[ ]" 1
303 1 36 LEU QB 1 37 PRO HD2 3.900 . 5.300 3.072 3.014 3.131 . 0 0 "[ ]" 1
304 1 36 LEU QB 1 37 PRO HD3 3.400 . 4.700 1.733 1.707 1.763 . 0 0 "[ ]" 1
305 1 36 LEU QD 1 37 PRO HD2 3.400 . 6.100 3.986 3.941 4.012 . 0 0 "[ ]" 1
306 1 36 LEU QD 1 37 PRO HD3 3.400 . 6.100 3.434 3.326 3.501 . 0 0 "[ ]" 1
307 1 36 LEU HG 1 37 PRO HD2 3.400 . 3.700 3.720 3.627 3.774 0.074 4 0 "[ ]" 1
308 1 36 LEU HG 1 37 PRO HD3 3.400 . 3.700 3.129 2.999 3.237 . 0 0 "[ ]" 1
309 1 37 PRO HB3 1 38 ARG H 3.900 . 4.300 3.732 3.355 3.879 . 0 0 "[ ]" 1
310 1 37 PRO HD2 1 38 ARG H 3.900 . 4.300 2.738 2.323 3.661 . 0 0 "[ ]" 1
311 1 38 ARG H 1 38 ARG HB2 3.400 . 3.700 3.625 3.544 3.654 . 0 0 "[ ]" 1
312 1 38 ARG H 1 38 ARG HB3 2.300 . 2.500 2.619 2.531 2.848 0.348 4 0 "[ ]" 1
313 1 38 ARG H 1 38 ARG QD 4.500 . 6.000 3.757 2.874 4.197 . 0 0 "[ ]" 1
314 1 38 ARG H 1 38 ARG QG 2.300 . 3.500 2.190 1.871 2.352 . 0 0 "[ ]" 1
315 1 38 ARG H 1 39 ARG H 2.800 . 3.100 3.089 2.853 3.388 0.288 4 0 "[ ]" 1
316 1 38 ARG HA 1 39 ARG H 2.800 . 3.100 3.071 2.862 3.365 0.265 4 0 "[ ]" 1
317 1 39 ARG H 1 39 ARG HB2 2.800 . 3.100 2.362 2.152 2.810 . 0 0 "[ ]" 1
318 1 39 ARG H 1 39 ARG HB3 2.800 . 3.100 2.896 2.267 3.178 0.078 4 0 "[ ]" 1
319 1 39 ARG H 1 39 ARG QD 4.500 . 6.000 4.593 4.455 4.694 . 0 0 "[ ]" 1
320 1 39 ARG H 1 39 ARG QG 2.800 . 4.100 3.761 3.685 3.862 . 0 0 "[ ]" 1
321 1 39 ARG H 1 40 GLY H 3.900 . 4.300 3.333 2.038 4.267 . 0 0 "[ ]" 1
322 1 40 GLY H 1 40 GLY HA2 2.300 . 2.500 2.378 2.346 2.450 . 0 0 "[ ]" 1
323 1 40 GLY H 1 40 GLY HA3 2.800 . 3.100 2.872 2.769 2.983 . 0 0 "[ ]" 1
324 1 40 GLY H 1 41 PRO HD2 3.900 . 4.300 3.550 3.223 3.935 . 0 0 "[ ]" 1
325 1 40 GLY H 1 41 PRO HD3 3.900 . 4.300 2.407 1.916 2.901 . 0 0 "[ ]" 1
326 1 40 GLY HA2 1 41 PRO HD2 2.300 . 2.500 2.112 2.054 2.190 . 0 0 "[ ]" 1
327 1 40 GLY HA2 1 41 PRO HD3 2.300 . 2.500 2.405 2.242 2.529 0.029 1 0 "[ ]" 1
328 1 40 GLY HA3 1 41 PRO HD2 3.900 . 4.300 3.685 3.553 3.794 . 0 0 "[ ]" 1
329 1 40 GLY HA3 1 41 PRO HD3 3.900 . 4.300 3.760 3.736 3.773 . 0 0 "[ ]" 1
330 1 41 PRO HB3 1 41 PRO HD2 3.900 . 4.300 3.988 3.987 3.990 . 0 0 "[ ]" 1
331 1 43 LEU H 1 44 GLY H 3.400 . 3.700 3.075 2.204 3.638 . 0 0 "[ ]" 1
332 1 43 LEU HA 1 43 LEU MD1 4.500 . 6.000 3.324 2.863 3.712 . 0 0 "[ ]" 1
333 1 43 LEU HA 1 43 LEU MD2 3.400 . 4.700 3.216 2.815 3.521 . 0 0 "[ ]" 1
334 1 43 LEU HA 1 44 GLY H 2.800 . 3.100 2.716 2.531 3.102 0.002 1 0 "[ ]" 1
335 1 43 LEU QB 1 44 GLY H 3.900 . 5.300 3.860 3.658 3.940 . 0 0 "[ ]" 1
336 1 44 GLY H 1 44 GLY HA3 2.800 . 3.100 2.746 2.362 2.953 . 0 0 "[ ]" 1
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