Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
553209 | 2ltz RC | 18502 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ltz
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 262
_Distance_constraint_stats_list.Viol_count 736
_Distance_constraint_stats_list.Viol_total 310.292
_Distance_constraint_stats_list.Viol_max 0.599
_Distance_constraint_stats_list.Viol_rms 0.0166
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0211
_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 GLY 2.486 0.599 18 2 "[ . 1- . + 2]"
1 2 PRO 2.678 0.599 18 2 "[ . 1- . + 2]"
1 3 LEU 0.270 0.028 11 0 "[ . 1 . 2]"
1 4 PRO 0.202 0.019 20 0 "[ . 1 . 2]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLY 0.021 0.006 2 0 "[ . 1 . 2]"
1 7 TRP 2.599 0.071 20 0 "[ . 1 . 2]"
1 8 GLU 1.849 0.071 20 0 "[ . 1 . 2]"
1 9 ILE 0.131 0.016 3 0 "[ . 1 . 2]"
1 10 ARG 0.108 0.009 4 0 "[ . 1 . 2]"
1 11 ASN 0.331 0.022 10 0 "[ . 1 . 2]"
1 12 THR 0.401 0.022 10 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.090 0.012 17 0 "[ . 1 . 2]"
1 16 ARG 0.384 0.019 17 0 "[ . 1 . 2]"
1 17 VAL 0.250 0.018 1 0 "[ . 1 . 2]"
1 18 TYR 2.504 0.090 20 0 "[ . 1 . 2]"
1 19 PHE 0.506 0.098 20 0 "[ . 1 . 2]"
1 20 VAL 0.712 0.035 10 0 "[ . 1 . 2]"
1 21 ASP 1.073 0.035 10 0 "[ . 1 . 2]"
1 22 HIS 0.419 0.025 9 0 "[ . 1 . 2]"
1 23 ASN 0.048 0.011 9 0 "[ . 1 . 2]"
1 24 ASN 0.061 0.008 10 0 "[ . 1 . 2]"
1 25 ARG 0.051 0.008 10 0 "[ . 1 . 2]"
1 26 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 0.379 0.020 3 0 "[ . 1 . 2]"
1 28 GLN 0.591 0.023 17 0 "[ . 1 . 2]"
1 29 PHE 1.173 0.071 17 0 "[ . 1 . 2]"
1 30 THR 2.021 0.090 20 0 "[ . 1 . 2]"
1 31 ASP 2.058 0.098 20 0 "[ . 1 . 2]"
1 32 PRO 1.256 0.065 14 0 "[ . 1 . 2]"
1 33 ARG 1.156 0.071 17 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 0.004 0.002 16 0 "[ . 1 . 2]"
1 37 ASN 0.004 0.002 16 0 "[ . 1 . 2]"
2 2 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 SER 1.734 0.052 4 0 "[ . 1 . 2]"
2 5 PRO 2.009 0.052 4 0 "[ . 1 . 2]"
2 6 PRO 0.572 0.022 7 0 "[ . 1 . 2]"
2 7 PRO 0.107 0.011 3 0 "[ . 1 . 2]"
2 8 PRO 0.002 0.002 8 0 "[ . 1 . 2]"
2 9 TYR 0.096 0.020 7 0 "[ . 1 . 2]"
2 10 SER 0.096 0.020 7 0 "[ . 1 . 2]"
2 12 TYR 0.599 0.065 13 0 "[ . 1 . 2]"
2 13 PRO 0.000 0.000 . 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 GLY HA3 1 2 PRO HD2 2.591 . 3.431 3.181 2.057 4.029 0.599 18 2 "[ . 1- . + 2]" 1
2 1 1 GLY HA3 1 2 PRO HD3 2.829 . 3.852 3.326 2.552 3.969 0.117 2 0 "[ . 1 . 2]" 1
3 1 2 PRO HA 1 3 LEU H 4.840 2.271 7.409 2.750 2.243 3.462 0.028 11 0 "[ . 1 . 2]" 1
4 1 3 LEU HA 1 4 PRO HD2 3.012 . 4.175 2.716 2.577 2.930 . 0 0 "[ . 1 . 2]" 1
5 1 3 LEU HA 1 4 PRO HD3 3.077 . 4.290 1.870 1.854 1.965 0.010 13 0 "[ . 1 . 2]" 1
6 1 3 LEU HB3 1 8 GLU HA 4.510 2.195 6.825 6.553 5.992 6.832 0.007 2 0 "[ . 1 . 2]" 1
7 1 3 LEU MD1 1 4 PRO HD2 3.946 2.064 5.827 2.236 2.059 2.597 0.005 20 0 "[ . 1 . 2]" 1
8 1 3 LEU MD1 1 4 PRO HD3 3.915 2.057 5.772 2.687 2.528 2.945 . 0 0 "[ . 1 . 2]" 1
9 1 3 LEU MD1 1 8 GLU HA 3.495 . 5.030 3.781 3.267 4.550 . 0 0 "[ . 1 . 2]" 1
10 1 4 PRO HA 1 5 PRO HD2 2.634 . 3.506 2.640 2.172 2.873 . 0 0 "[ . 1 . 2]" 1
11 1 4 PRO HA 1 5 PRO HD3 1.890 . 2.390 1.950 1.786 2.365 . 0 0 "[ . 1 . 2]" 1
12 1 4 PRO HB2 1 7 TRP HD1 3.396 . 4.854 1.931 1.918 1.959 0.019 20 0 "[ . 1 . 2]" 1
13 1 4 PRO HB2 1 7 TRP HE1 4.489 2.190 6.789 4.188 3.703 4.341 . 0 0 "[ . 1 . 2]" 1
14 1 4 PRO HB3 1 7 TRP HD1 3.203 . 4.514 3.138 2.913 3.384 . 0 0 "[ . 1 . 2]" 1
15 1 4 PRO HB3 1 7 TRP HE1 5.206 2.355 8.057 4.772 4.208 5.031 . 0 0 "[ . 1 . 2]" 1
16 1 4 PRO HG2 1 7 TRP HD1 4.110 2.102 6.117 2.841 2.514 3.535 . 0 0 "[ . 1 . 2]" 1
17 1 4 PRO HG2 1 7 TRP HE1 4.413 2.172 6.653 3.796 3.657 4.014 . 0 0 "[ . 1 . 2]" 1
18 1 4 PRO HG3 1 7 TRP HD1 3.642 . 5.290 4.154 3.870 4.631 . 0 0 "[ . 1 . 2]" 1
19 1 4 PRO HG3 1 7 TRP HE1 5.363 2.391 8.334 5.169 5.049 5.325 . 0 0 "[ . 1 . 2]" 1
20 1 5 PRO HA 1 6 GLY H 4.688 2.236 7.141 3.463 3.404 3.549 . 0 0 "[ . 1 . 2]" 1
21 1 5 PRO HB2 1 6 GLY H 4.807 2.263 7.351 3.260 2.778 3.710 . 0 0 "[ . 1 . 2]" 1
22 1 6 GLY H 1 7 TRP H 4.710 2.241 6.608 2.278 2.235 2.397 0.006 2 0 "[ . 1 . 2]" 1
23 1 6 GLY HA2 1 7 TRP H 4.462 2.184 6.740 3.345 3.298 3.362 . 0 0 "[ . 1 . 2]" 1
24 1 6 GLY HA3 1 7 TRP H 4.485 2.189 6.781 3.123 3.083 3.149 . 0 0 "[ . 1 . 2]" 1
25 1 7 TRP H 1 8 GLU H 5.060 2.321 7.798 4.561 4.544 4.582 . 0 0 "[ . 1 . 2]" 1
26 1 7 TRP HA 1 8 GLU H 4.971 2.301 7.641 2.287 2.281 2.292 0.020 14 0 "[ . 1 . 2]" 1
27 1 7 TRP HA 1 21 ASP HA 2.935 . 3.808 2.888 2.618 3.270 . 0 0 "[ . 1 . 2]" 1
28 1 7 TRP HA 1 22 HIS H 5.121 2.336 7.906 3.731 3.306 4.098 . 0 0 "[ . 1 . 2]" 1
29 1 7 TRP HB2 1 8 GLU H 4.466 2.184 6.747 4.058 4.008 4.092 . 0 0 "[ . 1 . 2]" 1
30 1 7 TRP HB3 1 8 GLU H 5.121 2.336 7.906 2.784 2.718 2.832 . 0 0 "[ . 1 . 2]" 1
31 1 7 TRP HD1 1 8 GLU H 4.829 2.268 7.389 5.631 5.502 5.747 . 0 0 "[ . 1 . 2]" 1
32 1 7 TRP HE1 1 23 ASN HD21 4.466 2.184 6.714 5.642 3.786 6.723 0.009 4 0 "[ . 1 . 2]" 1
33 1 7 TRP HE1 1 23 ASN HD22 6.000 2.538 6.581 5.763 3.887 6.592 0.011 9 0 "[ . 1 . 2]" 1
34 1 7 TRP HE3 1 28 GLN HB2 4.202 2.124 6.280 4.549 4.372 4.651 . 0 0 "[ . 1 . 2]" 1
35 1 7 TRP HE3 1 28 GLN HB3 3.922 2.059 5.785 5.786 5.686 5.799 0.014 19 0 "[ . 1 . 2]" 1
36 1 7 TRP HE3 1 28 GLN HG2 3.720 2.012 5.428 5.423 5.319 5.443 0.016 12 0 "[ . 1 . 2]" 1
37 1 7 TRP HE3 1 28 GLN HG3 3.259 . 4.612 4.581 4.249 4.635 0.023 17 0 "[ . 1 . 2]" 1
38 1 7 TRP HH2 1 21 ASP HB3 3.945 2.064 5.826 5.788 5.603 5.842 0.016 13 0 "[ . 1 . 2]" 1
39 1 7 TRP HH2 1 28 GLN HG2 3.952 2.066 5.839 4.322 3.968 4.572 . 0 0 "[ . 1 . 2]" 1
40 1 7 TRP HH2 1 28 GLN HG3 3.023 . 4.195 2.576 2.213 2.821 . 0 0 "[ . 1 . 2]" 1
41 1 7 TRP HH2 1 32 PRO HG3 3.968 2.070 5.867 4.024 4.010 4.039 . 0 0 "[ . 1 . 2]" 1
42 1 7 TRP HZ2 1 8 GLU H 4.668 2.231 7.104 7.161 7.154 7.175 0.071 20 0 "[ . 1 . 2]" 1
43 1 7 TRP HZ2 1 21 ASP HB3 3.807 2.032 5.582 5.284 4.827 5.583 0.001 10 0 "[ . 1 . 2]" 1
44 1 7 TRP HZ2 1 28 GLN HB3 4.151 2.112 6.190 6.088 5.637 6.199 0.009 10 0 "[ . 1 . 2]" 1
45 1 7 TRP HZ2 1 32 PRO HD3 3.778 2.026 5.530 5.472 4.596 5.540 0.009 2 0 "[ . 1 . 2]" 1
46 1 7 TRP HZ2 1 32 PRO HG2 4.154 2.113 6.196 5.588 5.380 6.019 . 0 0 "[ . 1 . 2]" 1
47 1 7 TRP HZ2 1 32 PRO HG3 3.747 2.019 5.475 4.667 4.435 4.919 . 0 0 "[ . 1 . 2]" 1
48 1 7 TRP HZ3 1 21 ASP HB3 3.930 2.061 5.799 5.819 5.805 5.833 0.034 20 0 "[ . 1 . 2]" 1
49 1 7 TRP HZ3 1 32 PRO HG3 3.751 2.019 5.483 4.215 3.882 4.343 . 0 0 "[ . 1 . 2]" 1
50 1 8 GLU H 1 9 ILE H 4.877 2.279 7.475 4.242 4.058 4.442 . 0 0 "[ . 1 . 2]" 1
51 1 8 GLU HA 1 9 ILE H 4.269 2.139 6.399 2.181 2.123 2.278 0.016 3 0 "[ . 1 . 2]" 1
52 1 8 GLU HB2 1 9 ILE H 4.390 2.167 6.613 4.384 4.125 4.511 . 0 0 "[ . 1 . 2]" 1
53 1 8 GLU HB2 1 22 HIS HD1 3.651 . 5.306 4.339 4.059 4.578 . 0 0 "[ . 1 . 2]" 1
54 1 8 GLU HB3 1 22 HIS HD1 3.638 . 5.282 5.301 5.293 5.307 0.025 9 0 "[ . 1 . 2]" 1
55 1 8 GLU HG2 1 22 HIS HD1 4.258 2.136 6.379 4.840 4.291 6.389 0.010 3 0 "[ . 1 . 2]" 1
56 1 9 ILE H 1 10 ARG H 4.565 2.207 6.923 4.445 4.337 4.532 . 0 0 "[ . 1 . 2]" 1
57 1 9 ILE HA 1 10 ARG H 4.444 2.179 6.708 2.175 2.171 2.191 0.009 4 0 "[ . 1 . 2]" 1
58 1 9 ILE HA 1 19 PHE HA 3.070 . 4.278 2.444 2.247 2.809 . 0 0 "[ . 1 . 2]" 1
59 1 9 ILE HB 1 10 ARG H 4.905 2.286 7.524 4.231 4.172 4.318 . 0 0 "[ . 1 . 2]" 1
60 1 9 ILE HB 1 19 PHE QD 4.097 2.099 6.095 2.965 2.573 3.465 . 0 0 "[ . 1 . 2]" 1
61 1 9 ILE HB 1 19 PHE QE 3.995 2.076 5.915 2.845 2.621 3.621 . 0 0 "[ . 1 . 2]" 1
62 1 9 ILE MD 1 10 ARG H 4.468 2.185 6.752 4.452 4.322 4.662 . 0 0 "[ . 1 . 2]" 1
63 1 9 ILE MD 1 11 ASN HD21 3.644 . 5.293 5.167 4.855 5.298 0.005 7 0 "[ . 1 . 2]" 1
64 1 9 ILE MD 1 19 PHE QD 4.131 2.107 6.154 4.010 3.792 4.496 . 0 0 "[ . 1 . 2]" 1
65 1 9 ILE MD 1 19 PHE QE 3.947 2.065 5.830 2.604 2.326 3.178 . 0 0 "[ . 1 . 2]" 1
66 1 9 ILE MD 1 19 PHE HZ 4.230 2.130 6.329 2.645 2.436 2.973 . 0 0 "[ . 1 . 2]" 1
67 1 9 ILE HG12 1 19 PHE QD 3.936 2.062 5.809 4.980 4.135 5.270 . 0 0 "[ . 1 . 2]" 1
68 1 9 ILE HG12 1 19 PHE QE 3.979 2.072 5.886 4.512 4.093 4.692 . 0 0 "[ . 1 . 2]" 1
69 1 9 ILE HG13 1 19 PHE QD 3.846 2.041 5.651 3.664 2.611 3.997 . 0 0 "[ . 1 . 2]" 1
70 1 9 ILE HG13 1 19 PHE QE 3.332 . 4.741 3.217 2.510 3.362 . 0 0 "[ . 1 . 2]" 1
71 1 9 ILE HG13 1 19 PHE HZ 3.635 . 5.277 3.447 3.061 4.006 . 0 0 "[ . 1 . 2]" 1
72 1 9 ILE MG 1 10 ARG H 5.019 2.312 7.726 4.115 4.028 4.196 . 0 0 "[ . 1 . 2]" 1
73 1 10 ARG H 1 18 TYR H 4.751 2.250 6.683 4.011 3.499 4.396 . 0 0 "[ . 1 . 2]" 1
74 1 10 ARG H 1 19 PHE HA 4.710 2.241 7.180 2.890 2.587 3.168 . 0 0 "[ . 1 . 2]" 1
75 1 10 ARG HA 1 11 ASN H 4.393 2.168 6.619 2.225 2.159 2.304 0.008 9 0 "[ . 1 . 2]" 1
76 1 10 ARG HB2 1 11 ASN H 4.451 2.181 6.721 3.967 3.746 4.444 . 0 0 "[ . 1 . 2]" 1
77 1 10 ARG HB3 1 11 ASN H 5.121 2.336 7.906 2.846 2.663 3.469 . 0 0 "[ . 1 . 2]" 1
78 1 10 ARG HB3 1 18 TYR QE 4.066 2.092 6.039 3.249 2.338 3.540 . 0 0 "[ . 1 . 2]" 1
79 1 10 ARG HD2 1 18 TYR QE 4.395 2.168 6.622 4.671 3.401 5.311 . 0 0 "[ . 1 . 2]" 1
80 1 10 ARG HD3 1 18 TYR QE 3.949 2.065 5.833 3.581 3.022 4.370 . 0 0 "[ . 1 . 2]" 1
81 1 10 ARG HG2 1 18 TYR QE 4.395 2.168 6.622 5.031 3.584 5.294 . 0 0 "[ . 1 . 2]" 1
82 1 11 ASN HA 1 12 THR H 4.864 2.276 7.452 2.262 2.255 2.274 0.022 10 0 "[ . 1 . 2]" 1
83 1 11 ASN HA 1 17 VAL HA 2.791 . 3.050 2.166 1.956 2.414 . 0 0 "[ . 1 . 2]" 1
84 1 11 ASN HA 1 18 TYR H 4.636 2.224 7.048 3.246 2.972 3.539 . 0 0 "[ . 1 . 2]" 1
85 1 11 ASN HB2 1 12 THR H 4.497 2.192 6.803 4.336 4.248 4.433 . 0 0 "[ . 1 . 2]" 1
86 1 11 ASN HD21 1 17 VAL MG1 4.272 2.140 6.405 3.700 3.214 4.110 . 0 0 "[ . 1 . 2]" 1
87 1 11 ASN HD21 1 17 VAL MG2 3.970 2.070 5.871 2.771 2.064 3.328 0.006 16 0 "[ . 1 . 2]" 1
88 1 11 ASN HD22 1 17 VAL MG1 5.189 2.351 8.027 4.364 3.885 4.850 . 0 0 "[ . 1 . 2]" 1
89 1 11 ASN HD22 1 17 VAL MG2 4.677 2.233 7.120 2.643 2.233 2.996 . 0 0 "[ . 1 . 2]" 1
90 1 12 THR H 1 15 GLY H 4.532 2.200 6.864 4.258 4.058 4.569 . 0 0 "[ . 1 . 2]" 1
91 1 12 THR H 1 16 ARG H 5.121 2.336 6.968 2.995 2.702 3.453 . 0 0 "[ . 1 . 2]" 1
92 1 12 THR H 1 17 VAL HA 4.703 2.239 7.166 3.191 2.819 3.614 . 0 0 "[ . 1 . 2]" 1
93 1 12 THR MG 1 16 ARG H 4.571 2.209 6.934 4.724 4.246 5.013 . 0 0 "[ . 1 . 2]" 1
94 1 12 THR MG 1 18 TYR QD 3.933 2.062 5.805 3.122 2.271 3.677 . 0 0 "[ . 1 . 2]" 1
95 1 12 THR MG 1 18 TYR QE 3.958 2.067 5.849 2.096 2.055 2.744 0.012 1 0 "[ . 1 . 2]" 1
96 1 12 THR MG 1 29 PHE QD 4.353 2.158 6.547 5.557 4.730 6.246 . 0 0 "[ . 1 . 2]" 1
97 1 12 THR MG 1 29 PHE QE 3.734 2.016 5.453 3.829 2.903 4.498 . 0 0 "[ . 1 . 2]" 1
98 1 12 THR MG 2 7 PRO HB2 4.150 2.112 6.189 4.605 4.526 4.710 . 0 0 "[ . 1 . 2]" 1
99 1 12 THR MG 2 7 PRO HD2 3.554 . 5.134 3.971 3.532 4.361 . 0 0 "[ . 1 . 2]" 1
100 1 12 THR MG 2 7 PRO HD3 3.444 . 4.939 3.159 2.719 3.626 . 0 0 "[ . 1 . 2]" 1
101 1 14 THR HA 1 15 GLY H 4.489 2.190 6.789 3.402 3.378 3.440 . 0 0 "[ . 1 . 2]" 1
102 1 14 THR MG 1 15 GLY H 5.026 2.314 7.739 4.130 2.562 4.360 . 0 0 "[ . 1 . 2]" 1
103 1 15 GLY H 1 16 ARG H 4.532 2.301 6.864 2.315 2.289 2.465 0.012 17 0 "[ . 1 . 2]" 1
104 1 15 GLY HA2 1 16 ARG H 5.034 2.316 7.753 2.796 2.661 2.926 . 0 0 "[ . 1 . 2]" 1
105 1 15 GLY HA3 1 16 ARG H 4.877 2.279 7.475 3.551 3.524 3.575 . 0 0 "[ . 1 . 2]" 1
106 1 16 ARG HA 1 17 VAL H 4.233 2.131 6.336 2.290 2.231 2.393 . 0 0 "[ . 1 . 2]" 1
107 1 16 ARG HB2 1 17 VAL H 3.166 . 4.448 3.863 3.508 4.061 . 0 0 "[ . 1 . 2]" 1
108 1 16 ARG HB2 1 18 TYR QE 5.181 2.350 8.013 5.446 4.381 6.336 . 0 0 "[ . 1 . 2]" 1
109 1 16 ARG HB2 1 29 PHE QD 4.115 2.104 6.127 3.853 3.334 4.513 . 0 0 "[ . 1 . 2]" 1
110 1 16 ARG HB2 2 6 PRO HB3 4.047 2.088 6.006 6.020 6.013 6.025 0.019 17 0 "[ . 1 . 2]" 1
111 1 16 ARG HG2 1 17 VAL H 4.489 2.190 6.789 4.619 4.182 4.886 . 0 0 "[ . 1 . 2]" 1
112 1 16 ARG HG2 1 29 PHE QD 4.311 2.149 6.473 5.124 4.785 5.521 . 0 0 "[ . 1 . 2]" 1
113 1 16 ARG HG2 1 29 PHE QE 3.809 2.033 5.585 4.600 4.380 4.868 . 0 0 "[ . 1 . 2]" 1
114 1 17 VAL HA 1 18 TYR H 4.575 2.210 6.940 2.200 2.191 2.212 0.018 1 0 "[ . 1 . 2]" 1
115 1 17 VAL HA 1 18 TYR QD 4.274 2.140 6.407 3.038 2.629 3.397 . 0 0 "[ . 1 . 2]" 1
116 1 17 VAL HB 1 18 TYR H 4.575 2.210 6.940 4.064 3.689 4.331 . 0 0 "[ . 1 . 2]" 1
117 1 17 VAL HB 1 19 PHE QD 4.487 2.189 6.785 3.946 3.636 4.391 . 0 0 "[ . 1 . 2]" 1
118 1 17 VAL HB 1 19 PHE QE 4.548 2.203 6.892 2.591 2.204 3.148 . 0 0 "[ . 1 . 2]" 1
119 1 17 VAL MG1 1 18 TYR H 4.925 2.290 7.560 2.897 2.283 3.486 0.008 8 0 "[ . 1 . 2]" 1
120 1 17 VAL MG1 1 19 PHE QE 4.318 2.150 6.486 2.212 2.139 2.434 0.012 20 0 "[ . 1 . 2]" 1
121 1 17 VAL MG1 1 19 PHE HZ 4.371 2.163 6.579 3.180 2.837 3.935 . 0 0 "[ . 1 . 2]" 1
122 1 17 VAL MG2 1 18 TYR H 4.624 2.221 7.027 4.245 4.038 4.400 . 0 0 "[ . 1 . 2]" 1
123 1 17 VAL MG2 1 19 PHE QE 4.034 2.085 5.984 3.790 3.584 4.125 . 0 0 "[ . 1 . 2]" 1
124 1 17 VAL MG2 1 19 PHE HZ 3.937 2.062 5.811 4.753 4.325 5.317 . 0 0 "[ . 1 . 2]" 1
125 1 18 TYR H 1 30 THR H 4.570 2.208 6.931 7.009 7.000 7.021 0.090 20 0 "[ . 1 . 2]" 1
126 1 18 TYR HA 1 19 PHE H 4.258 2.136 6.379 2.143 2.131 2.250 0.005 3 0 "[ . 1 . 2]" 1
127 1 18 TYR HB2 1 19 PHE H 4.514 2.196 6.833 3.613 3.410 3.702 . 0 0 "[ . 1 . 2]" 1
128 1 18 TYR HB2 2 6 PRO HB3 3.313 . 4.707 3.710 3.224 4.245 . 0 0 "[ . 1 . 2]" 1
129 1 18 TYR HB3 1 19 PHE H 4.818 2.266 7.370 4.371 4.304 4.439 . 0 0 "[ . 1 . 2]" 1
130 1 18 TYR HB3 2 6 PRO HB3 3.321 . 4.722 3.222 2.710 3.679 . 0 0 "[ . 1 . 2]" 1
131 1 18 TYR QD 1 27 THR HB 3.456 . 4.961 3.599 3.312 3.764 . 0 0 "[ . 1 . 2]" 1
132 1 18 TYR QD 1 27 THR MG 4.654 2.228 7.079 3.893 3.778 3.916 . 0 0 "[ . 1 . 2]" 1
133 1 18 TYR QE 1 20 VAL MG1 3.797 2.030 5.564 3.404 2.646 5.565 0.001 11 0 "[ . 1 . 2]" 1
134 1 18 TYR QE 1 20 VAL MG2 4.389 2.167 6.611 3.879 3.103 4.330 . 0 0 "[ . 1 . 2]" 1
135 1 18 TYR QE 1 27 THR HB 3.648 . 5.300 5.175 4.774 5.304 0.004 10 0 "[ . 1 . 2]" 1
136 1 18 TYR QE 1 27 THR MG 4.173 2.117 6.230 5.322 5.102 5.437 . 0 0 "[ . 1 . 2]" 1
137 1 18 TYR QE 2 7 PRO HB2 4.877 2.279 7.475 3.424 3.161 3.690 . 0 0 "[ . 1 . 2]" 1
138 1 18 TYR QE 2 7 PRO HG2 3.977 2.072 5.883 3.038 2.920 3.202 . 0 0 "[ . 1 . 2]" 1
139 1 18 TYR QE 2 7 PRO HG3 5.034 2.316 7.753 3.898 3.615 4.139 . 0 0 "[ . 1 . 2]" 1
140 1 18 TYR QE 2 12 TYR HA 3.609 . 5.231 5.261 5.247 5.296 0.065 13 0 "[ . 1 . 2]" 1
141 1 19 PHE H 1 29 PHE HA 4.734 2.246 7.222 4.081 3.869 4.386 . 0 0 "[ . 1 . 2]" 1
142 1 19 PHE HA 1 20 VAL H 4.423 2.174 6.671 2.185 2.173 2.218 0.002 18 0 "[ . 1 . 2]" 1
143 1 19 PHE QD 1 28 GLN HB2 3.878 2.049 5.708 3.551 3.196 4.487 . 0 0 "[ . 1 . 2]" 1
144 1 19 PHE QD 1 31 ASP HB2 3.972 2.070 5.873 3.429 3.091 4.703 . 0 0 "[ . 1 . 2]" 1
145 1 19 PHE QD 1 31 ASP HB3 3.851 2.043 5.660 2.510 2.236 5.343 . 0 0 "[ . 1 . 2]" 1
146 1 19 PHE QE 1 31 ASP HA 3.785 2.027 5.543 3.951 3.674 5.022 . 0 0 "[ . 1 . 2]" 1
147 1 19 PHE QE 1 31 ASP HB2 3.997 2.076 5.917 2.216 2.072 4.401 0.004 5 0 "[ . 1 . 2]" 1
148 1 19 PHE QE 1 31 ASP HB3 3.946 2.065 5.828 2.545 2.221 4.287 . 0 0 "[ . 1 . 2]" 1
149 1 19 PHE HZ 1 31 ASP HA 3.586 . 5.191 5.211 5.199 5.288 0.098 20 0 "[ . 1 . 2]" 1
150 1 19 PHE HZ 1 31 ASP HB3 3.721 2.013 5.430 4.569 4.452 4.864 . 0 0 "[ . 1 . 2]" 1
151 1 20 VAL HA 1 21 ASP H 4.703 2.239 7.166 2.211 2.204 2.220 0.035 10 0 "[ . 1 . 2]" 1
152 1 20 VAL HA 1 27 THR HA 3.546 . 5.121 1.975 1.953 2.050 0.020 9 0 "[ . 1 . 2]" 1
153 1 20 VAL HA 1 28 GLN H 4.293 2.145 6.442 3.204 2.825 3.388 . 0 0 "[ . 1 . 2]" 1
154 1 20 VAL HB 1 21 ASP H 4.778 2.256 7.299 3.516 3.275 4.167 . 0 0 "[ . 1 . 2]" 1
155 1 20 VAL HB 1 22 HIS HD1 4.852 2.274 7.430 3.865 3.767 4.144 . 0 0 "[ . 1 . 2]" 1
156 1 20 VAL MG1 1 21 ASP H 4.797 2.261 7.333 3.772 2.612 3.945 . 0 0 "[ . 1 . 2]" 1
157 1 20 VAL MG1 1 22 HIS HD1 3.885 2.050 5.719 4.956 2.846 5.404 . 0 0 "[ . 1 . 2]" 1
158 1 20 VAL MG1 1 25 ARG HA 4.309 2.148 6.470 5.276 3.374 5.642 . 0 0 "[ . 1 . 2]" 1
159 1 20 VAL MG1 1 27 THR MG 4.042 2.087 5.997 3.523 3.378 4.131 . 0 0 "[ . 1 . 2]" 1
160 1 20 VAL MG2 1 21 ASP H 4.778 2.256 7.299 4.194 4.064 4.257 . 0 0 "[ . 1 . 2]" 1
161 1 20 VAL MG2 1 22 HIS HD1 4.037 2.085 5.989 3.778 3.125 5.150 . 0 0 "[ . 1 . 2]" 1
162 1 20 VAL MG2 1 25 ARG HA 4.151 2.112 6.191 5.772 5.377 6.064 . 0 0 "[ . 1 . 2]" 1
163 1 20 VAL MG2 1 27 THR MG 4.292 2.144 6.439 5.407 3.559 5.715 . 0 0 "[ . 1 . 2]" 1
164 1 20 VAL MG2 2 9 TYR QD 3.662 . 5.325 3.893 2.683 4.053 . 0 0 "[ . 1 . 2]" 1
165 1 20 VAL MG2 2 9 TYR QE 4.144 2.110 6.178 3.081 2.919 3.667 . 0 0 "[ . 1 . 2]" 1
166 1 21 ASP H 1 26 THR H 4.840 2.370 7.409 2.883 2.651 3.328 . 0 0 "[ . 1 . 2]" 1
167 1 21 ASP H 1 27 THR HA 4.447 2.180 6.714 3.509 3.324 3.606 . 0 0 "[ . 1 . 2]" 1
168 1 21 ASP HA 1 22 HIS H 4.447 2.180 6.714 2.180 2.174 2.187 0.006 18 0 "[ . 1 . 2]" 1
169 1 21 ASP HB2 1 22 HIS H 4.852 2.274 7.430 3.974 3.913 4.071 . 0 0 "[ . 1 . 2]" 1
170 1 21 ASP HB3 1 22 HIS H 4.636 2.224 7.048 3.580 3.492 3.671 . 0 0 "[ . 1 . 2]" 1
171 1 22 HIS H 1 23 ASN H 4.891 2.282 7.070 2.466 2.387 2.539 . 0 0 "[ . 1 . 2]" 1
172 1 22 HIS HA 1 23 ASN H 4.194 2.122 6.266 3.370 3.345 3.415 . 0 0 "[ . 1 . 2]" 1
173 1 22 HIS HA 1 26 THR H 4.546 2.203 6.888 4.797 4.601 4.930 . 0 0 "[ . 1 . 2]" 1
174 1 22 HIS HB2 1 23 ASN H 4.555 2.205 6.905 3.256 3.041 3.356 . 0 0 "[ . 1 . 2]" 1
175 1 22 HIS HB3 1 23 ASN H 4.419 2.174 6.665 3.990 3.890 4.033 . 0 0 "[ . 1 . 2]" 1
176 1 23 ASN H 1 24 ASN H 4.378 2.305 6.592 2.685 2.299 3.009 0.006 11 0 "[ . 1 . 2]" 1
177 1 23 ASN H 1 25 ARG H 4.718 2.243 7.193 3.528 3.336 3.710 . 0 0 "[ . 1 . 2]" 1
178 1 23 ASN HA 1 24 ASN H 4.116 2.104 6.129 3.553 3.482 3.580 . 0 0 "[ . 1 . 2]" 1
179 1 23 ASN HB2 1 24 ASN H 3.993 2.075 5.911 2.351 2.073 2.796 0.003 19 0 "[ . 1 . 2]" 1
180 1 24 ASN H 1 25 ARG H 4.523 2.201 6.848 2.223 2.193 2.373 0.008 10 0 "[ . 1 . 2]" 1
181 1 24 ASN H 1 26 THR H 4.613 2.218 7.007 3.882 3.636 4.442 . 0 0 "[ . 1 . 2]" 1
182 1 24 ASN HA 1 25 ARG H 4.570 2.208 6.931 3.374 3.348 3.398 . 0 0 "[ . 1 . 2]" 1
183 1 24 ASN HB2 1 25 ARG H 4.655 2.228 7.081 4.124 3.983 4.227 . 0 0 "[ . 1 . 2]" 1
184 1 24 ASN HB3 1 25 ARG H 4.630 2.222 7.038 3.260 3.148 3.320 . 0 0 "[ . 1 . 2]" 1
185 1 25 ARG H 1 26 THR H 4.601 2.216 6.987 2.632 2.515 2.763 . 0 0 "[ . 1 . 2]" 1
186 1 25 ARG HA 1 26 THR H 4.541 2.202 6.880 2.677 2.423 2.899 . 0 0 "[ . 1 . 2]" 1
187 1 25 ARG HB2 1 26 THR H 4.387 2.166 6.608 4.309 4.114 4.431 . 0 0 "[ . 1 . 2]" 1
188 1 25 ARG HB3 1 26 THR H 4.340 2.155 6.525 4.404 4.324 4.453 . 0 0 "[ . 1 . 2]" 1
189 1 25 ARG HG2 1 26 THR H 4.349 2.157 6.540 5.174 4.965 6.011 . 0 0 "[ . 1 . 2]" 1
190 1 26 THR HA 1 27 THR H 4.575 2.210 6.940 2.315 2.259 2.345 . 0 0 "[ . 1 . 2]" 1
191 1 26 THR HB 1 27 THR H 4.536 2.201 6.872 3.648 2.794 3.941 . 0 0 "[ . 1 . 2]" 1
192 1 26 THR MG 1 27 THR H 3.966 2.069 5.864 2.475 2.194 3.556 . 0 0 "[ . 1 . 2]" 1
193 1 26 THR MG 1 28 GLN HE22 5.051 2.319 7.783 4.058 2.713 6.386 . 0 0 "[ . 1 . 2]" 1
194 1 27 THR H 1 28 GLN H 6.000 2.538 9.462 4.550 4.507 4.594 . 0 0 "[ . 1 . 2]" 1
195 1 27 THR HA 1 28 GLN H 4.807 2.263 7.351 2.261 2.243 2.304 0.020 3 0 "[ . 1 . 2]" 1
196 1 27 THR HB 1 28 GLN H 4.301 2.146 6.455 4.089 3.958 4.347 . 0 0 "[ . 1 . 2]" 1
197 1 27 THR MG 1 28 GLN H 4.638 2.224 7.052 3.699 3.545 3.919 . 0 0 "[ . 1 . 2]" 1
198 1 27 THR MG 2 7 PRO HB2 3.950 2.065 5.834 3.687 3.392 4.129 . 0 0 "[ . 1 . 2]" 1
199 1 27 THR MG 2 7 PRO HG2 3.105 . 4.339 4.337 4.244 4.350 0.011 3 0 "[ . 1 . 2]" 1
200 1 28 GLN HA 1 29 PHE H 4.470 2.185 6.754 2.342 2.294 2.392 . 0 0 "[ . 1 . 2]" 1
201 1 28 GLN HA 1 30 THR H 4.433 2.177 6.689 2.514 2.342 2.707 . 0 0 "[ . 1 . 2]" 1
202 1 28 GLN HB2 1 30 THR H 6.000 2.538 9.462 3.925 3.781 4.067 . 0 0 "[ . 1 . 2]" 1
203 1 28 GLN HB3 1 29 PHE H 5.206 2.355 8.057 4.067 3.971 4.147 . 0 0 "[ . 1 . 2]" 1
204 1 28 GLN HB3 1 30 THR H 5.011 2.310 7.712 2.770 2.599 3.013 . 0 0 "[ . 1 . 2]" 1
205 1 28 GLN HE21 1 30 THR HB 4.400 2.169 6.630 4.050 2.159 5.484 0.010 18 0 "[ . 1 . 2]" 1
206 1 28 GLN HE22 1 30 THR MG 5.004 2.309 7.700 3.932 2.302 5.229 0.007 12 0 "[ . 1 . 2]" 1
207 1 28 GLN HG2 1 30 THR H 4.384 2.166 6.602 5.082 4.912 5.323 . 0 0 "[ . 1 . 2]" 1
208 1 29 PHE H 1 30 THR H 4.220 2.261 6.313 2.310 2.252 2.382 0.009 20 0 "[ . 1 . 2]" 1
209 1 29 PHE HA 1 30 THR H 4.778 2.256 7.299 3.160 3.138 3.215 . 0 0 "[ . 1 . 2]" 1
210 1 29 PHE QD 1 33 ARG HB2 4.087 2.097 6.077 6.135 6.127 6.148 0.071 17 0 "[ . 1 . 2]" 1
211 1 30 THR HA 1 31 ASP H 4.840 2.271 7.409 2.250 2.239 2.260 0.032 6 0 "[ . 1 . 2]" 1
212 1 30 THR HB 1 31 ASP H 4.759 2.252 7.267 4.320 3.930 4.513 . 0 0 "[ . 1 . 2]" 1
213 1 30 THR MG 1 31 ASP H 4.825 2.267 7.383 3.719 3.380 4.409 . 0 0 "[ . 1 . 2]" 1
214 1 31 ASP H 1 34 LEU MD1 5.069 2.324 7.814 4.677 3.293 6.281 . 0 0 "[ . 1 . 2]" 1
215 1 31 ASP H 1 34 LEU HG 4.489 2.190 6.789 5.700 4.933 6.493 . 0 0 "[ . 1 . 2]" 1
216 1 31 ASP HA 1 32 PRO HG3 3.627 . 5.263 3.731 3.610 3.815 . 0 0 "[ . 1 . 2]" 1
217 1 31 ASP HB2 1 32 PRO HG2 3.686 2.004 5.368 4.614 4.430 4.695 . 0 0 "[ . 1 . 2]" 1
218 1 31 ASP HB2 1 32 PRO HG3 3.643 . 5.291 4.883 4.750 5.337 0.046 20 0 "[ . 1 . 2]" 1
219 1 31 ASP HB3 1 32 PRO HG2 3.819 2.035 5.603 5.311 4.231 5.438 . 0 0 "[ . 1 . 2]" 1
220 1 31 ASP HB3 1 32 PRO HG3 3.724 2.013 5.435 5.493 5.485 5.499 0.065 14 0 "[ . 1 . 2]" 1
221 1 32 PRO HA 1 33 ARG H 4.636 2.224 7.048 3.419 3.391 3.517 . 0 0 "[ . 1 . 2]" 1
222 1 32 PRO HB2 1 33 ARG H 4.206 2.124 6.288 3.300 3.253 3.452 . 0 0 "[ . 1 . 2]" 1
223 1 32 PRO HB3 1 33 ARG H 4.546 2.203 6.888 4.340 4.317 4.391 . 0 0 "[ . 1 . 2]" 1
224 1 32 PRO HG2 1 33 ARG H 4.840 2.271 7.409 4.131 2.621 4.262 . 0 0 "[ . 1 . 2]" 1
225 1 32 PRO HG3 1 33 ARG H 4.688 2.236 7.141 4.447 4.146 4.525 . 0 0 "[ . 1 . 2]" 1
226 1 33 ARG H 1 34 LEU H 4.877 2.301 7.475 2.698 2.565 3.030 . 0 0 "[ . 1 . 2]" 1
227 1 33 ARG HA 1 34 LEU H 5.011 2.310 7.712 3.516 3.381 3.597 . 0 0 "[ . 1 . 2]" 1
228 1 33 ARG HB2 1 34 LEU H 4.570 2.208 6.931 2.901 2.387 3.438 . 0 0 "[ . 1 . 2]" 1
229 1 33 ARG HB3 1 34 LEU H 4.546 2.203 6.888 3.527 2.731 4.036 . 0 0 "[ . 1 . 2]" 1
230 1 33 ARG HG2 1 34 LEU H 5.034 2.316 7.753 4.689 4.475 4.892 . 0 0 "[ . 1 . 2]" 1
231 1 33 ARG HG3 1 34 LEU H 4.306 2.147 6.464 5.152 4.704 5.590 . 0 0 "[ . 1 . 2]" 1
232 1 34 LEU H 1 35 SER H 3.869 2.106 5.691 2.582 2.425 2.713 . 0 0 "[ . 1 . 2]" 1
233 1 34 LEU HA 1 35 SER H 4.751 2.250 7.251 3.410 3.342 3.528 . 0 0 "[ . 1 . 2]" 1
234 1 34 LEU HB2 1 35 SER H 4.797 2.261 7.333 4.075 3.678 4.287 . 0 0 "[ . 1 . 2]" 1
235 1 34 LEU HB3 1 35 SER H 3.870 2.047 5.693 3.141 2.575 3.419 . 0 0 "[ . 1 . 2]" 1
236 1 34 LEU MD1 1 35 SER H 4.488 2.189 6.786 4.763 4.139 5.217 . 0 0 "[ . 1 . 2]" 1
237 1 34 LEU MD2 1 35 SER H 4.941 2.294 7.589 4.459 3.400 5.102 . 0 0 "[ . 1 . 2]" 1
238 1 34 LEU HG 1 35 SER H 4.288 2.143 6.433 4.664 4.256 5.693 . 0 0 "[ . 1 . 2]" 1
239 1 35 SER HA 1 36 ALA H 4.510 2.195 6.825 3.354 3.323 3.441 . 0 0 "[ . 1 . 2]" 1
240 1 35 SER HB2 1 36 ALA H 4.560 2.206 6.914 3.916 3.268 4.308 . 0 0 "[ . 1 . 2]" 1
241 1 35 SER HB3 1 36 ALA H 4.238 2.132 6.343 3.761 3.096 4.397 . 0 0 "[ . 1 . 2]" 1
242 1 36 ALA H 1 37 ASN H 4.018 2.081 5.956 2.395 2.079 2.805 0.002 16 0 "[ . 1 . 2]" 1
243 2 2 LEU HB2 2 3 GLU H 4.585 2.212 6.958 4.075 3.802 4.230 . 0 0 "[ . 1 . 2]" 1
244 2 2 LEU HB3 2 3 GLU H 4.274 2.140 6.407 3.137 2.777 3.358 . 0 0 "[ . 1 . 2]" 1
245 2 3 GLU HA 2 4 SER H 4.381 2.165 6.597 2.390 2.269 2.546 . 0 0 "[ . 1 . 2]" 1
246 2 4 SER HA 2 5 PRO HD2 1.750 . 2.250 2.296 2.283 2.302 0.052 4 0 "[ . 1 . 2]" 1
247 2 4 SER HA 2 5 PRO HD3 2.790 . 3.783 1.942 1.792 2.278 0.006 19 0 "[ . 1 . 2]" 1
248 2 4 SER HB2 2 5 PRO HD2 3.006 . 4.164 2.037 1.839 2.164 0.008 8 0 "[ . 1 . 2]" 1
249 2 4 SER HB2 2 5 PRO HD3 2.554 . 3.365 3.376 3.367 3.389 0.024 8 0 "[ . 1 . 2]" 1
250 2 4 SER HB3 2 5 PRO HD2 3.164 . 4.445 2.719 2.403 2.903 . 0 0 "[ . 1 . 2]" 1
251 2 4 SER HB3 2 5 PRO HD3 2.661 . 3.554 3.582 3.576 3.591 0.036 13 0 "[ . 1 . 2]" 1
252 2 5 PRO HA 2 6 PRO HD3 2.952 . 4.069 1.821 1.813 1.829 0.022 7 0 "[ . 1 . 2]" 1
253 2 6 PRO HA 2 7 PRO HD2 2.181 . 2.705 2.510 2.186 2.707 0.002 17 0 "[ . 1 . 2]" 1
254 2 6 PRO HA 2 7 PRO HD3 2.463 . 3.203 2.161 2.014 2.313 . 0 0 "[ . 1 . 2]" 1
255 2 7 PRO HA 2 8 PRO HD2 3.386 . 4.837 2.355 1.933 2.465 0.002 8 0 "[ . 1 . 2]" 1
256 2 7 PRO HA 2 8 PRO HD3 3.261 . 4.616 2.114 1.983 2.622 . 0 0 "[ . 1 . 2]" 1
257 2 8 PRO HD2 2 9 TYR H 4.681 2.234 7.128 5.572 5.514 5.786 . 0 0 "[ . 1 . 2]" 1
258 2 9 TYR HA 2 10 SER H 4.541 2.202 6.880 2.208 2.182 2.262 0.020 7 0 "[ . 1 . 2]" 1
259 2 12 TYR HA 2 13 PRO HD2 2.959 . 4.081 2.198 1.986 2.573 . 0 0 "[ . 1 . 2]" 1
260 2 12 TYR HA 2 13 PRO HD3 2.447 . 3.176 2.317 1.719 2.699 . 0 0 "[ . 1 . 2]" 1
261 2 12 TYR QD 2 13 PRO HD2 3.901 2.054 5.747 4.816 4.530 5.110 . 0 0 "[ . 1 . 2]" 1
262 2 12 TYR QD 2 13 PRO HD3 3.733 2.015 5.451 4.838 4.530 5.083 . 0 0 "[ . 1 . 2]" 1
stop_
save_