NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596163 |
2n4r   |
25678 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n4r
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 446
_Distance_constraint_stats_list.Viol_count 513
_Distance_constraint_stats_list.Viol_total 148.510
_Distance_constraint_stats_list.Viol_max 0.869
_Distance_constraint_stats_list.Viol_rms 0.0102
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0145
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.006 0.006 1 0 "[ . 1 . 2]"
1 3 THR 0.147 0.058 8 0 "[ . 1 . 2]"
1 4 ALA 0.200 0.058 8 0 "[ . 1 . 2]"
1 5 VAL 0.416 0.052 10 0 "[ . 1 . 2]"
1 6 SER 0.862 0.096 1 0 "[ . 1 . 2]"
1 7 GLU 0.732 0.096 1 0 "[ . 1 . 2]"
1 8 TRP 0.262 0.017 6 0 "[ . 1 . 2]"
1 9 THR 0.216 0.018 13 0 "[ . 1 . 2]"
1 10 GLU 0.763 0.026 19 0 "[ . 1 . 2]"
1 11 TYR 0.286 0.026 19 0 "[ . 1 . 2]"
1 12 LYS 2.655 0.075 15 0 "[ . 1 . 2]"
1 13 THR 0.015 0.006 16 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.071 0.016 4 0 "[ . 1 . 2]"
1 17 LYS 2.645 0.075 15 0 "[ . 1 . 2]"
1 18 THR 0.334 0.027 18 0 "[ . 1 . 2]"
1 19 TYR 0.319 0.027 18 0 "[ . 1 . 2]"
1 20 TYR 1.112 0.869 1 1 "[+ . 1 . 2]"
1 21 TYR 0.218 0.017 15 0 "[ . 1 . 2]"
1 22 ASN 0.554 0.024 12 0 "[ . 1 . 2]"
1 23 ASN 0.348 0.025 13 0 "[ . 1 . 2]"
1 24 ARG 0.254 0.049 7 0 "[ . 1 . 2]"
1 25 THR 0.126 0.049 7 0 "[ . 1 . 2]"
1 26 ASP 0.404 0.025 13 0 "[ . 1 . 2]"
1 27 GLU 0.357 0.024 12 0 "[ . 1 . 2]"
1 28 SER 0.008 0.006 2 0 "[ . 1 . 2]"
1 29 THR 0.046 0.009 10 0 "[ . 1 . 2]"
1 30 TRP 0.014 0.005 2 0 "[ . 1 . 2]"
1 31 GLU 0.006 0.006 8 0 "[ . 1 . 2]"
1 32 LYS 0.903 0.869 1 1 "[+ . 1 . 2]"
1 33 PRO 0.098 0.008 1 0 "[ . 1 . 2]"
1 34 GLN 0.100 0.020 7 0 "[ . 1 . 2]"
1 35 GLU 0.282 0.020 7 0 "[ . 1 . 2]"
1 36 LEU 0.070 0.009 9 0 "[ . 1 . 2]"
1 37 LYS 0.021 0.010 17 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 ALA H 2.689 . 3.603 2.984 2.205 3.563 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 3 THR H 1.941 . 2.441 2.233 2.125 2.448 0.006 1 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 3 THR H 3.501 . 5.040 2.918 2.206 3.582 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR HA 1 4 ALA H 2.545 . 3.348 2.709 2.135 3.407 0.058 8 0 "[ . 1 . 2]" 1
5 1 3 THR HB 1 4 ALA H 3.296 . 4.678 3.886 2.527 4.591 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR MG 1 4 ALA H 4.094 2.099 6.089 3.666 2.585 4.396 . 0 0 "[ . 1 . 2]" 1
7 1 4 ALA H 1 5 VAL H 2.842 . 3.874 3.666 3.094 3.895 0.021 7 0 "[ . 1 . 2]" 1
8 1 4 ALA H 1 5 VAL MG2 4.474 2.186 6.762 4.575 2.873 6.194 . 0 0 "[ . 1 . 2]" 1
9 1 4 ALA HA 1 5 VAL H 2.000 . 2.500 2.237 2.080 2.461 . 0 0 "[ . 1 . 2]" 1
10 1 4 ALA HA 1 5 VAL MG2 4.260 2.137 6.383 4.246 2.978 5.592 . 0 0 "[ . 1 . 2]" 1
11 1 4 ALA MB 1 5 VAL H 3.598 . 5.212 3.488 2.977 3.694 . 0 0 "[ . 1 . 2]" 1
12 1 5 VAL H 1 6 SER H 2.972 . 4.104 3.822 2.678 4.125 0.021 12 0 "[ . 1 . 2]" 1
13 1 5 VAL HA 1 6 SER H 2.026 . 2.526 2.255 2.100 2.578 0.052 10 0 "[ . 1 . 2]" 1
14 1 5 VAL HB 1 6 SER H 3.239 . 4.576 4.152 3.357 4.500 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL MG2 1 6 SER H 3.513 . 5.062 3.714 2.325 4.235 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL MG2 1 6 SER HA 4.285 2.143 6.427 5.161 3.551 5.970 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL MG2 1 35 GLU HB2 2.718 . 3.655 3.466 1.966 3.667 0.012 1 0 "[ . 1 . 2]" 1
18 1 6 SER H 1 7 GLU H 3.636 . 5.279 3.061 2.279 4.596 . 0 0 "[ . 1 . 2]" 1
19 1 6 SER HA 1 7 GLU H 2.328 . 2.965 2.988 2.896 3.061 0.096 1 0 "[ . 1 . 2]" 1
20 1 6 SER HA 1 8 TRP H 3.619 . 5.250 3.680 2.962 4.996 . 0 0 "[ . 1 . 2]" 1
21 1 6 SER HB2 1 7 GLU H 3.601 . 5.217 3.763 1.967 4.544 0.018 1 0 "[ . 1 . 2]" 1
22 1 6 SER HB3 1 7 GLU H 3.668 2.000 5.336 3.787 1.984 4.642 0.016 14 0 "[ . 1 . 2]" 1
23 1 7 GLU H 1 8 TRP H 2.913 . 4.000 2.472 2.179 3.010 . 0 0 "[ . 1 . 2]" 1
24 1 7 GLU H 1 8 TRP HD1 3.869 2.047 5.691 3.642 2.792 4.764 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLU HA 1 8 TRP H 3.326 . 4.730 3.404 3.217 3.543 . 0 0 "[ . 1 . 2]" 1
26 1 7 GLU HA 1 23 ASN HB2 2.886 . 3.953 3.809 3.104 3.960 0.007 8 0 "[ . 1 . 2]" 1
27 1 7 GLU HA 1 23 ASN HD21 3.592 . 5.202 3.198 2.710 3.450 . 0 0 "[ . 1 . 2]" 1
28 1 7 GLU HA 1 23 ASN HD22 3.494 . 5.028 4.609 4.135 4.995 . 0 0 "[ . 1 . 2]" 1
29 1 7 GLU HB2 1 8 TRP H 3.747 2.019 5.475 3.589 2.073 4.163 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLU HB2 1 8 TRP HD1 3.205 . 4.516 3.823 2.457 4.533 0.017 6 0 "[ . 1 . 2]" 1
31 1 7 GLU HB2 1 8 TRP HE1 3.768 2.023 5.513 4.620 3.144 5.515 0.002 10 0 "[ . 1 . 2]" 1
32 1 7 GLU HB2 1 22 ASN HD21 3.396 . 4.854 3.746 2.644 4.865 0.011 16 0 "[ . 1 . 2]" 1
33 1 7 GLU HB3 1 8 TRP H 3.670 2.001 5.340 3.964 2.738 4.491 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLU HB3 1 8 TRP HD1 3.644 . 5.293 4.380 2.200 5.088 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLU HB3 1 22 ASN HD21 3.771 2.024 5.517 4.177 2.028 5.530 0.012 4 0 "[ . 1 . 2]" 1
36 1 7 GLU HB3 1 22 ASN HD22 3.381 . 4.827 3.345 1.933 4.340 0.001 8 0 "[ . 1 . 2]" 1
37 1 7 GLU HG2 1 8 TRP H 3.602 . 5.220 3.849 2.534 5.225 0.005 10 0 "[ . 1 . 2]" 1
38 1 7 GLU HG2 1 22 ASN HD21 3.680 2.003 5.357 4.549 2.479 5.360 0.002 12 0 "[ . 1 . 2]" 1
39 1 7 GLU HG3 1 8 TRP H 3.613 . 5.238 3.919 2.532 5.242 0.004 8 0 "[ . 1 . 2]" 1
40 1 7 GLU HG3 1 8 TRP HD1 3.508 . 5.052 3.381 2.112 5.052 . 0 0 "[ . 1 . 2]" 1
41 1 7 GLU HG3 1 22 ASN HD21 3.778 2.026 5.531 3.359 2.443 4.814 . 0 0 "[ . 1 . 2]" 1
42 1 8 TRP H 1 36 LEU MD1 4.543 2.202 6.883 5.389 4.038 6.301 . 0 0 "[ . 1 . 2]" 1
43 1 8 TRP H 1 36 LEU MD2 4.548 2.203 6.892 5.082 3.641 6.306 . 0 0 "[ . 1 . 2]" 1
44 1 8 TRP HA 1 9 THR H 2.524 . 3.312 2.146 2.109 2.228 . 0 0 "[ . 1 . 2]" 1
45 1 8 TRP HA 1 22 ASN HA 3.517 . 5.068 2.367 2.206 2.697 . 0 0 "[ . 1 . 2]" 1
46 1 8 TRP HA 1 23 ASN H 3.533 . 5.097 3.835 3.446 4.338 . 0 0 "[ . 1 . 2]" 1
47 1 8 TRP HB2 1 9 THR H 3.857 2.044 5.671 4.264 4.007 4.457 . 0 0 "[ . 1 . 2]" 1
48 1 8 TRP HB2 1 36 LEU MD1 4.292 2.144 6.440 4.247 2.946 4.995 . 0 0 "[ . 1 . 2]" 1
49 1 8 TRP HB2 1 36 LEU MD2 4.126 2.106 6.146 3.311 2.155 4.297 . 0 0 "[ . 1 . 2]" 1
50 1 8 TRP HB3 1 9 THR H 3.356 . 4.784 3.395 2.873 3.765 . 0 0 "[ . 1 . 2]" 1
51 1 8 TRP HB3 1 36 LEU MD1 4.417 2.173 6.660 5.081 3.201 6.140 . 0 0 "[ . 1 . 2]" 1
52 1 8 TRP HB3 1 36 LEU MD2 4.128 2.106 6.149 3.463 2.102 4.634 0.005 16 0 "[ . 1 . 2]" 1
53 1 8 TRP HD1 1 33 PRO HB2 3.722 2.013 5.431 4.020 3.468 4.922 . 0 0 "[ . 1 . 2]" 1
54 1 8 TRP HD1 1 33 PRO HB3 3.890 2.052 5.728 4.161 3.366 5.349 . 0 0 "[ . 1 . 2]" 1
55 1 8 TRP HD1 1 33 PRO HG2 3.907 2.056 5.759 4.744 3.926 5.410 . 0 0 "[ . 1 . 2]" 1
56 1 8 TRP HD1 1 35 GLU HB2 3.687 2.005 5.370 4.665 4.231 5.354 . 0 0 "[ . 1 . 2]" 1
57 1 8 TRP HD1 1 35 GLU HB3 3.420 . 4.896 4.829 4.466 4.910 0.014 8 0 "[ . 1 . 2]" 1
58 1 8 TRP HD1 1 35 GLU HG2 3.293 . 4.673 2.960 2.507 3.588 . 0 0 "[ . 1 . 2]" 1
59 1 8 TRP HD1 1 36 LEU MD1 3.986 2.074 5.897 5.637 4.680 5.903 0.005 9 0 "[ . 1 . 2]" 1
60 1 8 TRP HD1 1 36 LEU MD2 4.020 2.082 5.959 5.224 4.169 5.962 0.003 9 0 "[ . 1 . 2]" 1
61 1 8 TRP HE1 1 22 ASN HD22 3.760 2.022 5.499 3.488 3.188 4.789 . 0 0 "[ . 1 . 2]" 1
62 1 8 TRP HE1 1 33 PRO HB2 3.675 2.002 5.349 4.167 3.487 4.745 . 0 0 "[ . 1 . 2]" 1
63 1 8 TRP HE1 1 33 PRO HB3 3.902 2.054 5.751 3.574 2.979 4.225 . 0 0 "[ . 1 . 2]" 1
64 1 8 TRP HE1 1 35 GLU HG2 3.708 2.010 5.407 3.596 2.539 4.471 . 0 0 "[ . 1 . 2]" 1
65 1 8 TRP HE3 1 20 TYR HA 3.799 2.030 5.567 3.868 3.639 4.111 . 0 0 "[ . 1 . 2]" 1
66 1 8 TRP HE3 1 20 TYR HB2 2.878 . 3.937 3.271 2.802 3.903 . 0 0 "[ . 1 . 2]" 1
67 1 8 TRP HE3 1 20 TYR HB3 3.012 . 4.174 2.412 1.858 2.919 . 0 0 "[ . 1 . 2]" 1
68 1 8 TRP HE3 1 20 TYR QD 4.017 2.081 5.953 4.400 3.965 4.806 . 0 0 "[ . 1 . 2]" 1
69 1 8 TRP HE3 1 21 TYR HA 3.901 2.054 5.747 3.738 3.204 4.401 . 0 0 "[ . 1 . 2]" 1
70 1 8 TRP HE3 1 22 ASN HA 3.643 . 5.291 3.928 3.661 4.136 . 0 0 "[ . 1 . 2]" 1
71 1 8 TRP HE3 1 22 ASN HB3 4.003 2.078 5.928 4.821 4.365 5.132 . 0 0 "[ . 1 . 2]" 1
72 1 8 TRP HE3 1 29 THR MG 4.040 2.086 5.994 3.755 2.638 5.189 . 0 0 "[ . 1 . 2]" 1
73 1 8 TRP HE3 1 33 PRO HG2 3.968 2.069 5.866 4.589 3.162 5.809 . 0 0 "[ . 1 . 2]" 1
74 1 8 TRP HE3 1 33 PRO HG3 3.954 2.066 5.842 3.346 2.480 4.041 . 0 0 "[ . 1 . 2]" 1
75 1 8 TRP HE3 1 36 LEU MD2 4.430 2.176 6.684 5.047 3.106 6.222 . 0 0 "[ . 1 . 2]" 1
76 1 8 TRP HH2 1 22 ASN HB2 4.038 2.086 5.990 3.494 3.242 3.764 . 0 0 "[ . 1 . 2]" 1
77 1 8 TRP HH2 1 22 ASN HB3 3.869 2.047 5.692 4.183 3.903 4.426 . 0 0 "[ . 1 . 2]" 1
78 1 8 TRP HH2 1 27 GLU HB2 3.677 2.002 5.351 5.094 4.679 5.356 0.005 18 0 "[ . 1 . 2]" 1
79 1 8 TRP HH2 1 27 GLU HB3 4.165 2.115 6.216 5.594 5.219 6.224 0.009 12 0 "[ . 1 . 2]" 1
80 1 8 TRP HH2 1 27 GLU HG2 4.146 2.111 6.182 3.883 3.404 5.098 . 0 0 "[ . 1 . 2]" 1
81 1 8 TRP HH2 1 27 GLU HG3 3.842 2.040 5.643 3.274 2.498 5.013 . 0 0 "[ . 1 . 2]" 1
82 1 8 TRP HH2 1 29 THR HB 3.914 2.057 5.771 4.239 3.570 5.057 . 0 0 "[ . 1 . 2]" 1
83 1 8 TRP HH2 1 29 THR MG 3.596 . 5.209 3.008 2.517 4.062 . 0 0 "[ . 1 . 2]" 1
84 1 8 TRP HZ2 1 22 ASN HB3 4.052 2.089 6.015 4.538 4.355 5.213 . 0 0 "[ . 1 . 2]" 1
85 1 8 TRP HZ2 1 22 ASN HD22 3.489 . 5.019 4.404 4.110 4.752 . 0 0 "[ . 1 . 2]" 1
86 1 8 TRP HZ2 1 29 THR MG 4.262 2.137 6.387 4.680 4.100 5.264 . 0 0 "[ . 1 . 2]" 1
87 1 8 TRP HZ2 1 33 PRO HB2 3.806 2.032 5.580 5.249 4.639 5.586 0.006 9 0 "[ . 1 . 2]" 1
88 1 8 TRP HZ2 1 33 PRO HB3 4.331 2.153 6.509 3.826 3.168 4.298 . 0 0 "[ . 1 . 2]" 1
89 1 8 TRP HZ2 1 33 PRO HG3 4.039 2.086 5.992 5.215 3.976 5.994 0.002 13 0 "[ . 1 . 2]" 1
90 1 8 TRP HZ3 1 20 TYR HB2 3.591 . 5.199 3.593 3.009 4.451 . 0 0 "[ . 1 . 2]" 1
91 1 8 TRP HZ3 1 20 TYR HB3 3.568 . 5.158 3.895 3.114 5.041 . 0 0 "[ . 1 . 2]" 1
92 1 8 TRP HZ3 1 21 TYR HA 3.661 . 5.324 3.776 3.372 4.263 . 0 0 "[ . 1 . 2]" 1
93 1 8 TRP HZ3 1 22 ASN H 3.639 . 5.284 3.382 3.099 3.760 . 0 0 "[ . 1 . 2]" 1
94 1 8 TRP HZ3 1 22 ASN HB2 3.982 2.073 5.892 3.480 3.138 3.724 . 0 0 "[ . 1 . 2]" 1
95 1 8 TRP HZ3 1 22 ASN HB3 3.621 . 5.253 4.333 3.940 4.570 . 0 0 "[ . 1 . 2]" 1
96 1 8 TRP HZ3 1 27 GLU HG3 4.229 2.130 6.329 3.404 2.692 5.927 . 0 0 "[ . 1 . 2]" 1
97 1 8 TRP HZ3 1 28 SER HA 3.531 . 5.093 3.977 2.558 5.049 . 0 0 "[ . 1 . 2]" 1
98 1 8 TRP HZ3 1 29 THR H 3.707 2.009 5.405 3.225 2.321 3.922 . 0 0 "[ . 1 . 2]" 1
99 1 8 TRP HZ3 1 29 THR MG 3.391 . 4.846 2.194 1.928 3.926 0.009 10 0 "[ . 1 . 2]" 1
100 1 9 THR H 1 21 TYR H 3.175 . 4.464 2.975 2.728 3.408 . 0 0 "[ . 1 . 2]" 1
101 1 9 THR H 1 22 ASN HA 3.794 2.029 5.559 3.625 3.399 3.904 . 0 0 "[ . 1 . 2]" 1
102 1 9 THR HA 1 10 GLU H 2.012 . 2.512 2.274 2.232 2.315 . 0 0 "[ . 1 . 2]" 1
103 1 9 THR HA 1 36 LEU MD2 4.532 2.200 6.864 4.659 3.716 6.182 . 0 0 "[ . 1 . 2]" 1
104 1 9 THR HB 1 10 GLU H 2.742 . 3.697 3.707 3.698 3.715 0.018 13 0 "[ . 1 . 2]" 1
105 1 9 THR HB 1 11 TYR QD 3.995 2.076 5.914 3.963 3.362 4.786 . 0 0 "[ . 1 . 2]" 1
106 1 9 THR HB 1 11 TYR QE 3.442 . 4.936 2.646 2.169 3.447 . 0 0 "[ . 1 . 2]" 1
107 1 9 THR HB 1 21 TYR H 3.971 2.070 5.871 4.111 3.874 4.431 . 0 0 "[ . 1 . 2]" 1
108 1 9 THR HB 1 21 TYR HB2 3.540 . 5.109 4.932 4.336 5.119 0.010 13 0 "[ . 1 . 2]" 1
109 1 9 THR HB 1 21 TYR HB3 3.808 2.033 5.584 3.350 2.916 3.727 . 0 0 "[ . 1 . 2]" 1
110 1 9 THR HB 1 21 TYR QD 3.801 2.031 5.572 3.859 2.734 5.063 . 0 0 "[ . 1 . 2]" 1
111 1 9 THR HB 1 23 ASN HD22 3.696 2.007 5.385 3.677 2.894 4.275 . 0 0 "[ . 1 . 2]" 1
112 1 9 THR MG 1 10 GLU H 3.430 . 4.915 2.240 2.142 2.300 . 0 0 "[ . 1 . 2]" 1
113 1 9 THR MG 1 11 TYR H 3.896 2.053 5.739 4.759 4.525 5.059 . 0 0 "[ . 1 . 2]" 1
114 1 9 THR MG 1 11 TYR QE 4.022 2.082 5.962 3.163 2.730 3.439 . 0 0 "[ . 1 . 2]" 1
115 1 9 THR MG 1 21 TYR H 4.445 2.180 6.711 4.987 4.885 5.130 . 0 0 "[ . 1 . 2]" 1
116 1 9 THR MG 1 21 TYR QD 4.401 2.169 6.632 5.073 4.181 6.052 . 0 0 "[ . 1 . 2]" 1
117 1 9 THR MG 1 23 ASN HD22 4.250 2.135 6.365 4.165 3.567 4.788 . 0 0 "[ . 1 . 2]" 1
118 1 10 GLU H 1 36 LEU MD2 4.571 2.209 6.933 4.852 3.775 6.316 . 0 0 "[ . 1 . 2]" 1
119 1 10 GLU HA 1 11 TYR H 2.226 . 2.784 2.124 2.076 2.215 . 0 0 "[ . 1 . 2]" 1
120 1 10 GLU HA 1 11 TYR QD 4.141 2.109 6.173 4.029 3.499 4.426 . 0 0 "[ . 1 . 2]" 1
121 1 10 GLU HA 1 18 THR MG 4.002 2.077 5.926 4.116 3.355 5.011 . 0 0 "[ . 1 . 2]" 1
122 1 10 GLU HA 1 20 TYR HA 3.882 2.050 5.714 2.737 2.248 3.172 . 0 0 "[ . 1 . 2]" 1
123 1 10 GLU HA 1 20 TYR QD 3.588 . 5.195 3.271 2.461 4.038 . 0 0 "[ . 1 . 2]" 1
124 1 10 GLU HA 1 20 TYR QE 3.648 . 5.301 4.433 3.908 5.265 . 0 0 "[ . 1 . 2]" 1
125 1 10 GLU HA 1 21 TYR H 3.797 2.030 5.563 3.491 2.898 4.066 . 0 0 "[ . 1 . 2]" 1
126 1 10 GLU HB2 1 11 TYR H 3.092 . 4.317 3.843 2.711 4.338 0.021 3 0 "[ . 1 . 2]" 1
127 1 10 GLU HB2 1 18 THR HB 4.101 2.100 6.101 3.813 2.092 5.582 0.009 1 0 "[ . 1 . 2]" 1
128 1 10 GLU HB2 1 18 THR MG 3.154 . 4.426 3.446 2.334 4.439 0.013 15 0 "[ . 1 . 2]" 1
129 1 10 GLU HB2 1 20 TYR HA 4.191 2.121 6.260 4.586 3.116 5.881 . 0 0 "[ . 1 . 2]" 1
130 1 10 GLU HB2 1 36 LEU MD2 4.203 2.124 6.283 4.542 2.887 6.286 0.003 20 0 "[ . 1 . 2]" 1
131 1 10 GLU HB3 1 19 TYR H 3.649 . 5.302 5.127 4.526 5.329 0.026 9 0 "[ . 1 . 2]" 1
132 1 10 GLU HB3 1 20 TYR QD 3.306 . 4.694 3.587 1.914 4.555 0.002 10 0 "[ . 1 . 2]" 1
133 1 10 GLU HB3 1 20 TYR QE 2.928 . 4.026 3.484 2.006 4.042 0.016 4 0 "[ . 1 . 2]" 1
134 1 10 GLU HG2 1 11 TYR H 3.012 . 4.174 3.907 2.953 4.201 0.026 19 0 "[ . 1 . 2]" 1
135 1 10 GLU HG2 1 18 THR MG 3.081 . 4.297 3.133 1.863 4.304 0.007 19 0 "[ . 1 . 2]" 1
136 1 10 GLU HG2 1 20 TYR QD 3.385 . 4.835 3.621 1.929 4.848 0.013 13 0 "[ . 1 . 2]" 1
137 1 10 GLU HG2 1 20 TYR QE 3.017 . 4.183 3.367 1.916 4.204 0.021 19 0 "[ . 1 . 2]" 1
138 1 10 GLU HG2 1 36 LEU MD2 4.060 2.091 6.028 4.590 2.451 6.034 0.006 10 0 "[ . 1 . 2]" 1
139 1 11 TYR H 1 12 LYS H 4.015 2.080 5.950 4.382 4.261 4.491 . 0 0 "[ . 1 . 2]" 1
140 1 11 TYR H 1 19 TYR H 3.058 . 4.256 2.778 2.469 3.011 . 0 0 "[ . 1 . 2]" 1
141 1 11 TYR H 1 20 TYR HA 3.698 2.007 5.388 3.966 3.634 4.257 . 0 0 "[ . 1 . 2]" 1
142 1 11 TYR H 1 20 TYR QD 4.287 2.143 6.432 4.977 4.160 5.582 . 0 0 "[ . 1 . 2]" 1
143 1 11 TYR HA 1 12 LYS H 2.392 . 3.078 2.226 2.137 2.328 . 0 0 "[ . 1 . 2]" 1
144 1 11 TYR HA 1 19 TYR QE 4.455 2.182 6.727 5.057 4.816 5.331 . 0 0 "[ . 1 . 2]" 1
145 1 11 TYR HB2 1 12 LYS H 2.987 . 4.130 4.046 3.863 4.143 0.013 5 0 "[ . 1 . 2]" 1
146 1 11 TYR HB2 1 19 TYR QD 4.253 2.135 6.370 3.683 3.318 4.108 . 0 0 "[ . 1 . 2]" 1
147 1 11 TYR HB2 1 19 TYR QE 3.731 2.015 5.448 2.801 2.327 3.154 . 0 0 "[ . 1 . 2]" 1
148 1 11 TYR HB3 1 12 LYS H 3.452 . 4.954 3.045 2.724 3.315 . 0 0 "[ . 1 . 2]" 1
149 1 11 TYR HB3 1 19 TYR QE 3.817 2.035 5.600 3.351 2.829 3.831 . 0 0 "[ . 1 . 2]" 1
150 1 11 TYR QD 1 12 LYS H 4.064 2.092 6.037 3.944 3.610 4.342 . 0 0 "[ . 1 . 2]" 1
151 1 11 TYR QD 1 19 TYR QE 4.010 2.079 5.940 3.234 2.622 3.666 . 0 0 "[ . 1 . 2]" 1
152 1 11 TYR QD 1 20 TYR HA 4.319 2.151 6.487 4.966 4.209 5.567 . 0 0 "[ . 1 . 2]" 1
153 1 11 TYR QD 1 21 TYR H 4.091 2.098 6.084 4.079 3.272 5.084 . 0 0 "[ . 1 . 2]" 1
154 1 11 TYR QD 1 21 TYR HB2 3.479 . 5.002 3.163 2.478 4.447 . 0 0 "[ . 1 . 2]" 1
155 1 11 TYR QD 1 21 TYR HB3 3.665 . 5.330 3.069 2.070 4.298 . 0 0 "[ . 1 . 2]" 1
156 1 11 TYR QD 1 21 TYR QD 4.272 2.140 6.403 4.224 3.796 4.947 . 0 0 "[ . 1 . 2]" 1
157 1 11 TYR QE 1 19 TYR QE 4.358 2.159 6.556 4.655 3.873 5.350 . 0 0 "[ . 1 . 2]" 1
158 1 11 TYR QE 1 21 TYR H 4.259 2.137 6.380 4.581 3.823 5.773 . 0 0 "[ . 1 . 2]" 1
159 1 11 TYR QE 1 21 TYR HB2 3.438 . 4.928 3.754 2.918 4.827 . 0 0 "[ . 1 . 2]" 1
160 1 11 TYR QE 1 21 TYR HB3 3.634 . 5.276 2.678 1.990 3.975 0.002 11 0 "[ . 1 . 2]" 1
161 1 11 TYR QE 1 21 TYR QD 3.976 2.071 5.881 3.139 2.068 4.793 0.004 3 0 "[ . 1 . 2]" 1
162 1 12 LYS HA 1 13 THR H 2.134 . 2.634 2.133 2.090 2.177 . 0 0 "[ . 1 . 2]" 1
163 1 12 LYS HA 1 17 LYS H 3.948 2.065 5.831 3.964 3.742 4.220 . 0 0 "[ . 1 . 2]" 1
164 1 12 LYS HA 1 18 THR HA 3.474 . 4.992 2.105 1.948 3.053 0.008 18 0 "[ . 1 . 2]" 1
165 1 12 LYS HA 1 18 THR MG 4.263 2.138 6.388 2.742 2.388 4.105 . 0 0 "[ . 1 . 2]" 1
166 1 12 LYS HA 1 19 TYR H 3.348 . 4.770 3.677 3.551 3.907 . 0 0 "[ . 1 . 2]" 1
167 1 12 LYS HA 1 19 TYR QD 3.976 2.071 5.880 4.026 3.358 4.424 . 0 0 "[ . 1 . 2]" 1
168 1 12 LYS HA 1 19 TYR QE 4.145 2.110 6.180 4.694 3.692 5.398 . 0 0 "[ . 1 . 2]" 1
169 1 12 LYS HB2 1 13 THR H 3.315 . 4.711 4.210 4.077 4.341 . 0 0 "[ . 1 . 2]" 1
170 1 12 LYS HB2 1 16 GLY HA2 4.002 2.077 5.927 5.614 5.231 5.909 . 0 0 "[ . 1 . 2]" 1
171 1 12 LYS HB3 1 13 THR H 3.658 . 5.319 4.054 3.847 4.189 . 0 0 "[ . 1 . 2]" 1
172 1 12 LYS HD2 1 17 LYS HB2 3.154 . 4.426 4.286 3.761 4.467 0.041 2 0 "[ . 1 . 2]" 1
173 1 12 LYS HD2 1 17 LYS HB3 3.089 . 4.312 4.351 4.322 4.387 0.075 15 0 "[ . 1 . 2]" 1
174 1 12 LYS HD2 1 18 THR HA 4.224 2.129 6.319 4.426 4.166 4.655 . 0 0 "[ . 1 . 2]" 1
175 1 12 LYS HD3 1 17 LYS HB2 3.035 . 4.216 4.238 4.071 4.273 0.057 16 0 "[ . 1 . 2]" 1
176 1 12 LYS HD3 1 17 LYS HB3 2.957 . 4.078 4.117 4.093 4.148 0.069 7 0 "[ . 1 . 2]" 1
177 1 12 LYS HE2 1 16 GLY HA2 4.411 2.172 6.651 4.751 3.240 5.544 . 0 0 "[ . 1 . 2]" 1
178 1 12 LYS HE2 1 16 GLY HA3 4.493 2.191 6.796 5.853 4.761 6.800 0.004 12 0 "[ . 1 . 2]" 1
179 1 12 LYS HE2 1 18 THR MG 4.321 2.151 6.491 2.751 2.142 4.429 0.009 9 0 "[ . 1 . 2]" 1
180 1 12 LYS HG2 1 13 THR H 3.622 . 5.254 4.313 3.979 4.587 . 0 0 "[ . 1 . 2]" 1
181 1 12 LYS HG2 1 16 GLY H 3.962 2.068 5.856 4.670 4.372 5.001 . 0 0 "[ . 1 . 2]" 1
182 1 12 LYS HG2 1 16 GLY HA2 4.301 2.146 6.455 3.404 2.845 3.984 . 0 0 "[ . 1 . 2]" 1
183 1 12 LYS HG3 1 13 THR H 3.605 . 5.225 2.687 2.271 2.956 . 0 0 "[ . 1 . 2]" 1
184 1 12 LYS HG3 1 16 GLY H 3.911 2.056 5.766 3.518 3.382 3.735 . 0 0 "[ . 1 . 2]" 1
185 1 12 LYS HG3 1 16 GLY HA2 4.068 2.093 6.043 3.117 2.690 4.020 . 0 0 "[ . 1 . 2]" 1
186 1 12 LYS HG3 1 18 THR HA 3.632 . 5.273 4.588 4.284 5.274 0.001 19 0 "[ . 1 . 2]" 1
187 1 13 THR H 1 16 GLY H 3.905 2.055 5.755 4.141 3.881 4.519 . 0 0 "[ . 1 . 2]" 1
188 1 13 THR H 1 17 LYS H 3.203 . 4.513 2.751 2.288 3.054 . 0 0 "[ . 1 . 2]" 1
189 1 13 THR H 1 17 LYS HB2 3.859 2.044 5.674 3.873 3.092 4.385 . 0 0 "[ . 1 . 2]" 1
190 1 13 THR H 1 18 THR HA 3.577 . 5.174 3.441 3.130 4.421 . 0 0 "[ . 1 . 2]" 1
191 1 13 THR H 1 19 TYR H 3.913 2.057 5.769 4.620 4.020 5.202 . 0 0 "[ . 1 . 2]" 1
192 1 13 THR H 1 19 TYR QD 4.010 2.079 5.941 3.725 3.082 4.101 . 0 0 "[ . 1 . 2]" 1
193 1 13 THR H 1 19 TYR QE 4.084 2.096 6.072 4.388 3.287 5.124 . 0 0 "[ . 1 . 2]" 1
194 1 13 THR HA 1 14 ALA H 2.130 . 2.630 2.297 2.272 2.337 . 0 0 "[ . 1 . 2]" 1
195 1 13 THR HA 1 14 ALA HA 3.955 2.067 5.844 4.266 4.220 4.309 . 0 0 "[ . 1 . 2]" 1
196 1 13 THR HA 1 14 ALA MB 3.888 2.051 5.724 4.077 4.007 4.116 . 0 0 "[ . 1 . 2]" 1
197 1 13 THR HA 1 19 TYR QE 3.546 . 5.121 4.012 3.136 4.640 . 0 0 "[ . 1 . 2]" 1
198 1 13 THR HB 1 14 ALA H 2.287 . 2.893 2.707 2.676 2.758 . 0 0 "[ . 1 . 2]" 1
199 1 13 THR HB 1 14 ALA MB 3.952 2.066 5.839 4.050 3.948 4.249 . 0 0 "[ . 1 . 2]" 1
200 1 13 THR MG 1 14 ALA H 3.666 . 5.332 3.561 3.252 3.726 . 0 0 "[ . 1 . 2]" 1
201 1 13 THR MG 1 19 TYR H 4.113 2.103 6.123 4.327 3.641 5.400 . 0 0 "[ . 1 . 2]" 1
202 1 13 THR MG 1 19 TYR QD 3.574 . 5.169 2.187 1.973 2.853 0.006 16 0 "[ . 1 . 2]" 1
203 1 13 THR MG 1 19 TYR QE 3.663 . 5.328 2.323 1.998 2.928 0.001 19 0 "[ . 1 . 2]" 1
204 1 13 THR MG 1 30 TRP HH2 3.455 . 4.959 2.496 1.953 3.516 . 0 0 "[ . 1 . 2]" 1
205 1 13 THR MG 1 30 TRP HZ2 4.128 2.107 6.150 3.696 2.746 4.659 . 0 0 "[ . 1 . 2]" 1
206 1 13 THR MG 1 30 TRP HZ3 3.559 . 5.142 3.915 3.190 4.730 . 0 0 "[ . 1 . 2]" 1
207 1 14 ALA H 1 15 ASP H 3.043 . 4.229 2.909 2.810 2.990 . 0 0 "[ . 1 . 2]" 1
208 1 14 ALA HA 1 15 ASP H 3.425 . 4.906 3.458 3.292 3.528 . 0 0 "[ . 1 . 2]" 1
209 1 14 ALA MB 1 15 ASP H 3.595 . 5.207 3.005 2.790 3.344 . 0 0 "[ . 1 . 2]" 1
210 1 14 ALA MB 1 16 GLY H 4.233 2.131 6.335 4.283 4.192 4.434 . 0 0 "[ . 1 . 2]" 1
211 1 15 ASP H 1 16 GLY H 2.467 . 3.210 2.453 2.268 2.570 . 0 0 "[ . 1 . 2]" 1
212 1 15 ASP HA 1 16 GLY H 3.221 . 4.545 3.276 3.208 3.308 . 0 0 "[ . 1 . 2]" 1
213 1 15 ASP HA 1 16 GLY HA2 4.069 2.093 6.044 4.926 4.803 4.992 . 0 0 "[ . 1 . 2]" 1
214 1 15 ASP HB2 1 16 GLY H 4.132 2.107 6.156 4.334 4.172 4.456 . 0 0 "[ . 1 . 2]" 1
215 1 15 ASP HB3 1 16 GLY H 3.959 2.067 5.850 4.296 4.137 4.388 . 0 0 "[ . 1 . 2]" 1
216 1 16 GLY H 1 17 LYS H 2.580 . 3.410 2.485 2.356 2.802 . 0 0 "[ . 1 . 2]" 1
217 1 16 GLY HA2 1 17 LYS H 2.292 . 2.902 2.796 2.374 2.917 0.016 4 0 "[ . 1 . 2]" 1
218 1 16 GLY HA3 1 17 LYS H 3.352 . 4.776 3.564 3.520 3.613 . 0 0 "[ . 1 . 2]" 1
219 1 17 LYS HA 1 18 THR H 2.050 . 2.550 2.258 2.115 2.426 . 0 0 "[ . 1 . 2]" 1
220 1 17 LYS HA 1 30 TRP HZ3 4.457 2.182 6.731 4.656 4.032 5.498 . 0 0 "[ . 1 . 2]" 1
221 1 17 LYS HB2 1 18 THR H 3.057 . 4.254 3.707 3.071 4.275 0.021 19 0 "[ . 1 . 2]" 1
222 1 17 LYS HB2 1 19 TYR QD 4.328 2.153 6.503 5.263 4.544 6.046 . 0 0 "[ . 1 . 2]" 1
223 1 17 LYS HB2 1 30 TRP HH2 3.729 2.014 5.443 3.917 2.959 5.003 . 0 0 "[ . 1 . 2]" 1
224 1 17 LYS HB2 1 30 TRP HZ3 2.923 . 4.018 2.626 1.880 3.607 . 0 0 "[ . 1 . 2]" 1
225 1 17 LYS HB3 1 18 THR H 2.981 . 4.120 2.668 2.247 3.196 . 0 0 "[ . 1 . 2]" 1
226 1 17 LYS HB3 1 30 TRP HE3 3.711 2.010 5.411 4.002 3.265 4.827 . 0 0 "[ . 1 . 2]" 1
227 1 17 LYS HD2 1 30 TRP HZ3 3.927 2.060 5.793 4.024 2.843 5.086 . 0 0 "[ . 1 . 2]" 1
228 1 17 LYS HG2 1 18 THR H 3.518 . 5.071 4.302 3.696 5.061 . 0 0 "[ . 1 . 2]" 1
229 1 17 LYS HG2 1 30 TRP HZ3 3.945 2.064 5.825 4.564 2.931 5.674 . 0 0 "[ . 1 . 2]" 1
230 1 17 LYS HG3 1 18 THR H 3.528 . 5.089 4.808 4.363 5.090 0.001 11 0 "[ . 1 . 2]" 1
231 1 17 LYS HG3 1 30 TRP HZ3 3.872 2.047 5.698 4.516 2.975 5.362 . 0 0 "[ . 1 . 2]" 1
232 1 18 THR HA 1 19 TYR H 1.911 . 2.411 2.191 2.129 2.312 . 0 0 "[ . 1 . 2]" 1
233 1 18 THR HA 1 19 TYR QD 3.878 2.049 5.706 3.672 3.240 3.900 . 0 0 "[ . 1 . 2]" 1
234 1 18 THR HB 1 19 TYR H 2.388 . 3.071 3.059 2.878 3.098 0.027 18 0 "[ . 1 . 2]" 1
235 1 18 THR HB 1 20 TYR QE 4.213 2.126 6.299 4.037 3.443 4.673 . 0 0 "[ . 1 . 2]" 1
236 1 18 THR MG 1 19 TYR H 3.177 . 4.466 3.322 2.348 3.769 . 0 0 "[ . 1 . 2]" 1
237 1 18 THR MG 1 20 TYR QE 3.798 2.030 5.566 4.512 3.511 5.155 . 0 0 "[ . 1 . 2]" 1
238 1 19 TYR H 1 30 TRP HZ3 3.958 2.067 5.849 4.611 3.881 5.113 . 0 0 "[ . 1 . 2]" 1
239 1 19 TYR HA 1 20 TYR H 2.734 . 3.683 2.255 2.150 2.337 . 0 0 "[ . 1 . 2]" 1
240 1 19 TYR HA 1 20 TYR QD 3.645 . 5.295 3.935 3.392 4.266 . 0 0 "[ . 1 . 2]" 1
241 1 19 TYR HA 1 20 TYR QE 3.929 2.060 5.797 4.649 4.190 5.024 . 0 0 "[ . 1 . 2]" 1
242 1 19 TYR HA 1 30 TRP HZ3 3.967 2.069 5.864 4.311 3.721 4.969 . 0 0 "[ . 1 . 2]" 1
243 1 19 TYR HB2 1 20 TYR H 3.254 . 4.603 2.859 2.658 3.033 . 0 0 "[ . 1 . 2]" 1
244 1 19 TYR HB2 1 30 TRP HA 3.872 2.047 5.698 3.630 2.793 4.129 . 0 0 "[ . 1 . 2]" 1
245 1 19 TYR HB2 1 30 TRP HE3 3.391 . 4.845 4.361 3.893 4.709 . 0 0 "[ . 1 . 2]" 1
246 1 19 TYR HB2 1 30 TRP HZ3 3.432 . 4.917 4.789 4.365 4.922 0.005 2 0 "[ . 1 . 2]" 1
247 1 19 TYR HB3 1 20 TYR H 2.957 . 4.078 4.031 3.905 4.093 0.015 13 0 "[ . 1 . 2]" 1
248 1 19 TYR HB3 1 28 SER HB2 4.219 2.128 6.311 5.676 4.444 6.317 0.006 2 0 "[ . 1 . 2]" 1
249 1 19 TYR HB3 1 30 TRP HA 3.812 2.034 5.591 4.157 3.558 4.827 . 0 0 "[ . 1 . 2]" 1
250 1 19 TYR HB3 1 30 TRP HE3 3.616 . 5.244 3.474 2.840 4.209 . 0 0 "[ . 1 . 2]" 1
251 1 19 TYR HB3 1 30 TRP HZ3 3.729 2.014 5.444 3.207 2.650 3.660 . 0 0 "[ . 1 . 2]" 1
252 1 19 TYR QD 1 20 TYR H 3.568 . 5.158 3.691 3.210 4.131 . 0 0 "[ . 1 . 2]" 1
253 1 19 TYR QD 1 21 TYR HB2 4.009 2.079 5.940 3.102 2.719 3.535 . 0 0 "[ . 1 . 2]" 1
254 1 19 TYR QD 1 28 SER HA 4.208 2.125 6.291 3.557 2.718 4.365 . 0 0 "[ . 1 . 2]" 1
255 1 19 TYR QD 1 28 SER HB2 3.396 . 4.855 3.188 1.963 4.406 . 0 0 "[ . 1 . 2]" 1
256 1 19 TYR QD 1 29 THR H 4.037 2.085 5.989 3.949 3.228 4.885 . 0 0 "[ . 1 . 2]" 1
257 1 19 TYR QD 1 30 TRP HE3 4.141 2.110 6.173 5.132 4.452 5.913 . 0 0 "[ . 1 . 2]" 1
258 1 19 TYR QD 1 30 TRP HZ2 4.177 2.118 6.237 4.671 3.979 5.296 . 0 0 "[ . 1 . 2]" 1
259 1 19 TYR QD 1 30 TRP HZ3 3.539 . 5.108 3.903 3.045 5.049 . 0 0 "[ . 1 . 2]" 1
260 1 19 TYR QE 1 21 TYR HB2 3.501 . 5.040 2.642 2.035 3.363 . 0 0 "[ . 1 . 2]" 1
261 1 19 TYR QE 1 21 TYR HB3 3.721 2.012 5.429 4.017 3.462 4.878 . 0 0 "[ . 1 . 2]" 1
262 1 19 TYR QE 1 21 TYR QD 4.150 2.112 6.169 3.091 2.105 4.729 0.007 8 0 "[ . 1 . 2]" 1
263 1 19 TYR QE 1 28 SER HA 4.302 2.147 6.458 4.618 3.600 5.750 . 0 0 "[ . 1 . 2]" 1
264 1 19 TYR QE 1 28 SER HB2 3.838 2.040 5.637 3.952 2.595 5.619 . 0 0 "[ . 1 . 2]" 1
265 1 20 TYR H 1 29 THR H 3.395 . 4.853 3.421 3.129 3.689 . 0 0 "[ . 1 . 2]" 1
266 1 20 TYR H 1 29 THR MG 4.087 2.097 6.076 3.708 3.196 4.827 . 0 0 "[ . 1 . 2]" 1
267 1 20 TYR H 1 30 TRP HA 3.848 2.042 5.655 3.095 2.799 3.341 . 0 0 "[ . 1 . 2]" 1
268 1 20 TYR HA 1 21 TYR H 2.622 . 3.486 2.090 2.058 2.148 . 0 0 "[ . 1 . 2]" 1
269 1 20 TYR HB2 1 21 TYR H 3.470 . 4.984 4.247 4.151 4.328 . 0 0 "[ . 1 . 2]" 1
270 1 20 TYR HB2 1 29 THR MG 3.604 . 5.222 2.656 2.026 4.187 . 0 0 "[ . 1 . 2]" 1
271 1 20 TYR HB2 1 33 PRO HG3 3.789 2.028 5.549 3.798 2.602 4.375 . 0 0 "[ . 1 . 2]" 1
272 1 20 TYR HB3 1 21 TYR H 3.474 . 4.992 3.435 3.154 3.609 . 0 0 "[ . 1 . 2]" 1
273 1 20 TYR HB3 1 33 PRO HG2 3.652 . 5.308 3.854 2.738 4.519 . 0 0 "[ . 1 . 2]" 1
274 1 20 TYR HB3 1 33 PRO HG3 3.577 . 5.174 3.027 2.624 3.851 . 0 0 "[ . 1 . 2]" 1
275 1 20 TYR QD 1 21 TYR H 3.996 2.076 5.915 4.016 3.750 4.376 . 0 0 "[ . 1 . 2]" 1
276 1 20 TYR QD 1 29 THR MG 3.942 2.064 5.820 3.321 2.554 4.240 . 0 0 "[ . 1 . 2]" 1
277 1 20 TYR QD 1 30 TRP HA 3.863 2.045 5.680 3.517 2.530 4.597 . 0 0 "[ . 1 . 2]" 1
278 1 20 TYR QD 1 31 GLU H 4.252 2.135 6.369 3.845 2.248 4.705 . 0 0 "[ . 1 . 2]" 1
279 1 20 TYR QD 1 32 LYS H 4.140 2.109 6.170 4.373 3.819 4.826 . 0 0 "[ . 1 . 2]" 1
280 1 20 TYR QD 1 32 LYS HA 3.092 . 4.316 2.903 2.549 3.445 . 0 0 "[ . 1 . 2]" 1
281 1 20 TYR QD 1 32 LYS HG2 4.305 2.147 6.463 5.200 4.219 6.470 0.007 11 0 "[ . 1 . 2]" 1
282 1 20 TYR QD 1 33 PRO HD2 3.285 . 4.658 3.327 2.677 4.135 . 0 0 "[ . 1 . 2]" 1
283 1 20 TYR QD 1 33 PRO HD3 3.898 2.053 5.743 2.997 2.050 3.670 0.003 18 0 "[ . 1 . 2]" 1
284 1 20 TYR QD 1 33 PRO HG2 4.306 2.148 6.464 4.228 3.537 4.912 . 0 0 "[ . 1 . 2]" 1
285 1 20 TYR QD 1 33 PRO HG3 4.389 2.167 6.612 3.905 3.353 4.542 . 0 0 "[ . 1 . 2]" 1
286 1 20 TYR QD 1 36 LEU MD2 3.827 2.037 5.616 2.861 2.034 3.644 0.002 16 0 "[ . 1 . 2]" 1
287 1 20 TYR HD2 1 32 LYS HG3 3.918 2.058 5.779 4.711 3.804 6.648 0.869 1 1 "[+ . 1 . 2]" 1
288 1 20 TYR QE 1 30 TRP HA 4.075 2.094 6.055 4.547 3.367 5.434 . 0 0 "[ . 1 . 2]" 1
289 1 20 TYR QE 1 32 LYS H 3.724 2.013 5.435 4.008 3.351 4.861 . 0 0 "[ . 1 . 2]" 1
290 1 20 TYR QE 1 32 LYS HA 3.277 . 4.644 2.972 2.699 3.471 . 0 0 "[ . 1 . 2]" 1
291 1 20 TYR QE 1 32 LYS HB2 4.084 2.096 6.072 3.451 2.728 4.884 . 0 0 "[ . 1 . 2]" 1
292 1 20 TYR QE 1 32 LYS HB3 3.601 . 5.216 4.674 4.123 5.215 . 0 0 "[ . 1 . 2]" 1
293 1 20 TYR QE 1 32 LYS HE2 4.125 2.106 6.145 4.208 2.347 6.009 . 0 0 "[ . 1 . 2]" 1
294 1 20 TYR QE 1 32 LYS HG2 4.090 2.098 6.082 4.359 2.571 5.594 . 0 0 "[ . 1 . 2]" 1
295 1 20 TYR QE 1 32 LYS HG3 3.781 2.026 5.536 3.292 2.110 4.675 . 0 0 "[ . 1 . 2]" 1
296 1 20 TYR QE 1 33 PRO HD2 3.728 2.014 5.443 3.843 3.225 4.447 . 0 0 "[ . 1 . 2]" 1
297 1 20 TYR QE 1 33 PRO HD3 3.924 2.059 5.789 4.276 3.259 5.080 . 0 0 "[ . 1 . 2]" 1
298 1 20 TYR QE 1 36 LEU MD2 3.915 2.057 5.773 2.778 2.048 3.328 0.009 9 0 "[ . 1 . 2]" 1
299 1 21 TYR HA 1 22 ASN H 2.507 . 3.281 2.146 2.123 2.172 . 0 0 "[ . 1 . 2]" 1
300 1 21 TYR HA 1 28 SER HA 3.274 . 4.638 2.281 2.002 2.717 . 0 0 "[ . 1 . 2]" 1
301 1 21 TYR HA 1 28 SER HB2 3.848 2.042 5.655 4.460 2.705 5.642 . 0 0 "[ . 1 . 2]" 1
302 1 21 TYR HB2 1 22 ASN H 3.129 . 4.381 4.316 4.172 4.399 0.017 15 0 "[ . 1 . 2]" 1
303 1 21 TYR HB2 1 28 SER HA 3.995 2.076 5.914 3.658 3.053 4.093 . 0 0 "[ . 1 . 2]" 1
304 1 21 TYR HB2 1 28 SER HB2 4.163 2.115 6.212 4.507 2.554 5.921 . 0 0 "[ . 1 . 2]" 1
305 1 21 TYR HB3 1 22 ASN H 3.536 . 5.103 4.288 4.088 4.428 . 0 0 "[ . 1 . 2]" 1
306 1 21 TYR QD 1 22 ASN H 3.849 2.042 5.656 3.559 3.234 3.851 . 0 0 "[ . 1 . 2]" 1
307 1 21 TYR QD 1 23 ASN H 4.121 2.105 6.137 4.342 3.576 4.940 . 0 0 "[ . 1 . 2]" 1
308 1 21 TYR QD 1 23 ASN HA 3.702 2.008 5.396 3.477 2.836 4.145 . 0 0 "[ . 1 . 2]" 1
309 1 21 TYR QD 1 23 ASN HB2 4.144 2.110 6.179 5.292 4.719 5.766 . 0 0 "[ . 1 . 2]" 1
310 1 21 TYR QD 1 23 ASN HB3 4.152 2.112 6.193 5.238 4.718 5.854 . 0 0 "[ . 1 . 2]" 1
311 1 21 TYR QD 1 23 ASN HD22 4.064 2.092 6.036 3.774 3.467 4.141 . 0 0 "[ . 1 . 2]" 1
312 1 21 TYR QD 1 26 ASP HA 4.138 2.109 6.167 4.154 3.755 4.495 . 0 0 "[ . 1 . 2]" 1
313 1 21 TYR QD 1 26 ASP HB2 4.298 2.146 6.450 6.235 5.751 6.455 0.005 20 0 "[ . 1 . 2]" 1
314 1 21 TYR QD 1 28 SER HA 3.952 2.066 5.838 3.261 2.709 3.896 . 0 0 "[ . 1 . 2]" 1
315 1 21 TYR QD 1 28 SER HB2 3.560 . 5.145 3.694 2.180 4.770 . 0 0 "[ . 1 . 2]" 1
316 1 21 TYR QE 1 23 ASN H 4.352 2.158 6.545 4.849 4.494 5.190 . 0 0 "[ . 1 . 2]" 1
317 1 21 TYR QE 1 23 ASN HA 2.906 . 3.987 2.639 2.131 2.891 . 0 0 "[ . 1 . 2]" 1
318 1 21 TYR QE 1 23 ASN HB2 3.729 2.014 5.444 5.087 4.559 5.452 0.009 8 0 "[ . 1 . 2]" 1
319 1 21 TYR QE 1 23 ASN HB3 3.509 . 5.055 4.323 3.771 4.721 . 0 0 "[ . 1 . 2]" 1
320 1 21 TYR QE 1 26 ASP H 4.219 2.127 6.310 4.414 4.016 4.895 . 0 0 "[ . 1 . 2]" 1
321 1 21 TYR QE 1 26 ASP HA 3.399 . 4.859 2.645 2.033 3.382 . 0 0 "[ . 1 . 2]" 1
322 1 21 TYR QE 1 26 ASP HB2 3.655 . 5.313 4.391 3.686 4.863 . 0 0 "[ . 1 . 2]" 1
323 1 21 TYR QE 1 26 ASP HB3 4.002 2.077 5.927 4.922 4.157 5.615 . 0 0 "[ . 1 . 2]" 1
324 1 21 TYR QE 1 28 SER HB2 4.262 2.137 6.387 5.160 3.951 6.184 . 0 0 "[ . 1 . 2]" 1
325 1 22 ASN H 1 28 SER HA 3.586 . 5.190 3.547 2.918 4.100 . 0 0 "[ . 1 . 2]" 1
326 1 22 ASN HA 1 23 ASN H 2.209 . 2.754 2.166 2.125 2.225 . 0 0 "[ . 1 . 2]" 1
327 1 22 ASN HB2 1 23 ASN H 3.810 2.033 5.587 4.183 4.085 4.306 . 0 0 "[ . 1 . 2]" 1
328 1 22 ASN HB2 1 25 THR H 3.661 . 5.324 4.638 4.426 4.896 . 0 0 "[ . 1 . 2]" 1
329 1 22 ASN HB2 1 27 GLU H 3.144 . 4.408 4.420 4.411 4.432 0.024 12 0 "[ . 1 . 2]" 1
330 1 22 ASN HB3 1 23 ASN H 3.911 2.056 5.765 4.026 3.897 4.137 . 0 0 "[ . 1 . 2]" 1
331 1 22 ASN HB3 1 25 THR H 4.246 2.134 6.358 3.333 3.111 3.557 . 0 0 "[ . 1 . 2]" 1
332 1 22 ASN HB3 1 26 ASP H 4.262 2.138 6.387 3.424 3.263 3.579 . 0 0 "[ . 1 . 2]" 1
333 1 22 ASN HB3 1 27 GLU H 3.786 2.027 5.544 2.854 2.736 3.010 . 0 0 "[ . 1 . 2]" 1
334 1 22 ASN HD21 1 24 ARG HH21 4.033 2.084 5.981 5.819 4.852 6.000 0.019 15 0 "[ . 1 . 2]" 1
335 1 22 ASN HD21 1 25 THR MG 4.022 2.082 5.961 3.854 2.870 4.574 . 0 0 "[ . 1 . 2]" 1
336 1 23 ASN H 1 24 ARG H 2.778 . 3.762 2.712 2.580 2.885 . 0 0 "[ . 1 . 2]" 1
337 1 23 ASN H 1 25 THR H 3.803 2.031 5.574 3.987 3.864 4.063 . 0 0 "[ . 1 . 2]" 1
338 1 23 ASN HA 1 24 ARG H 3.422 . 4.900 3.616 3.589 3.655 . 0 0 "[ . 1 . 2]" 1
339 1 23 ASN HA 1 25 THR H 3.670 2.001 5.339 4.347 4.212 4.428 . 0 0 "[ . 1 . 2]" 1
340 1 23 ASN HA 1 26 ASP HB3 3.981 2.073 5.890 5.905 5.894 5.915 0.025 13 0 "[ . 1 . 2]" 1
341 1 23 ASN HB2 1 24 ARG H 3.742 2.017 5.466 2.768 2.622 2.925 . 0 0 "[ . 1 . 2]" 1
342 1 23 ASN HB3 1 24 ARG H 3.477 . 4.998 3.553 3.175 3.760 . 0 0 "[ . 1 . 2]" 1
343 1 24 ARG H 1 25 THR H 2.617 . 3.477 2.441 2.379 2.488 . 0 0 "[ . 1 . 2]" 1
344 1 24 ARG H 1 26 ASP H 3.564 . 5.151 3.688 3.619 3.786 . 0 0 "[ . 1 . 2]" 1
345 1 24 ARG HA 1 25 THR H 3.582 . 5.183 3.417 3.366 3.456 . 0 0 "[ . 1 . 2]" 1
346 1 24 ARG HB2 1 25 THR H 3.056 . 4.252 3.344 3.287 3.412 . 0 0 "[ . 1 . 2]" 1
347 1 24 ARG HB2 1 25 THR MG 3.888 2.051 5.724 3.833 3.500 3.922 . 0 0 "[ . 1 . 2]" 1
348 1 24 ARG HB3 1 25 THR H 3.433 . 4.920 4.207 3.851 4.304 . 0 0 "[ . 1 . 2]" 1
349 1 24 ARG HD2 1 25 THR MG 4.631 2.222 7.039 6.361 6.094 6.756 . 0 0 "[ . 1 . 2]" 1
350 1 24 ARG HD3 1 25 THR MG 5.201 2.354 8.047 6.800 5.493 7.074 . 0 0 "[ . 1 . 2]" 1
351 1 24 ARG HE 1 25 THR MG 4.248 2.134 6.363 5.074 4.648 5.782 . 0 0 "[ . 1 . 2]" 1
352 1 24 ARG HG2 1 25 THR H 4.095 2.099 6.091 5.287 5.163 5.618 . 0 0 "[ . 1 . 2]" 1
353 1 24 ARG HG3 1 25 THR H 3.979 2.072 5.887 4.541 4.327 5.189 . 0 0 "[ . 1 . 2]" 1
354 1 24 ARG HG3 1 25 THR MG 3.845 2.041 5.648 5.614 5.465 5.698 0.049 7 0 "[ . 1 . 2]" 1
355 1 24 ARG HH21 1 25 THR MG 3.942 2.064 5.820 5.289 4.724 5.822 0.002 16 0 "[ . 1 . 2]" 1
356 1 25 THR H 1 27 GLU H 3.800 2.031 5.570 4.042 3.765 4.633 . 0 0 "[ . 1 . 2]" 1
357 1 25 THR HA 1 26 ASP H 3.582 . 5.184 3.443 3.402 3.468 . 0 0 "[ . 1 . 2]" 1
358 1 25 THR HB 1 26 ASP H 3.352 . 4.776 3.798 3.499 4.056 . 0 0 "[ . 1 . 2]" 1
359 1 25 THR HB 1 27 GLU H 3.562 . 5.148 3.784 3.276 4.928 . 0 0 "[ . 1 . 2]" 1
360 1 25 THR MG 1 26 ASP H 4.142 2.110 6.174 3.847 3.647 3.957 . 0 0 "[ . 1 . 2]" 1
361 1 25 THR MG 1 27 GLU H 4.279 2.141 6.416 4.454 4.127 5.117 . 0 0 "[ . 1 . 2]" 1
362 1 26 ASP H 1 27 GLU H 3.043 . 4.229 2.560 2.319 3.100 . 0 0 "[ . 1 . 2]" 1
363 1 26 ASP HA 1 27 GLU H 3.435 . 4.923 2.731 2.315 2.985 . 0 0 "[ . 1 . 2]" 1
364 1 26 ASP HB2 1 27 GLU H 3.248 . 4.592 4.589 4.553 4.605 0.013 14 0 "[ . 1 . 2]" 1
365 1 26 ASP HB3 1 27 GLU H 3.698 2.007 5.388 4.253 4.056 4.504 . 0 0 "[ . 1 . 2]" 1
366 1 27 GLU HA 1 28 SER H 2.182 . 2.706 2.230 2.169 2.297 . 0 0 "[ . 1 . 2]" 1
367 1 27 GLU HA 1 28 SER HB2 3.975 2.071 5.879 5.125 4.238 5.688 . 0 0 "[ . 1 . 2]" 1
368 1 27 GLU HB2 1 28 SER H 3.248 . 4.592 2.907 2.665 3.146 . 0 0 "[ . 1 . 2]" 1
369 1 27 GLU HB3 1 28 SER H 3.663 . 5.328 4.062 3.702 4.223 . 0 0 "[ . 1 . 2]" 1
370 1 27 GLU HG2 1 28 SER H 3.755 2.020 5.490 4.818 4.616 5.210 . 0 0 "[ . 1 . 2]" 1
371 1 27 GLU HG3 1 28 SER H 3.743 2.018 5.468 3.960 3.640 4.942 . 0 0 "[ . 1 . 2]" 1
372 1 28 SER HA 1 29 THR H 2.632 . 3.503 2.153 2.114 2.180 . 0 0 "[ . 1 . 2]" 1
373 1 28 SER HA 1 29 THR MG 4.220 2.128 6.313 3.916 3.618 5.460 . 0 0 "[ . 1 . 2]" 1
374 1 28 SER HB2 1 29 THR H 3.120 . 4.365 3.816 3.176 4.364 . 0 0 "[ . 1 . 2]" 1
375 1 29 THR HB 1 31 GLU H 3.733 2.015 5.451 4.133 3.929 5.041 . 0 0 "[ . 1 . 2]" 1
376 1 29 THR MG 1 30 TRP H 4.107 2.102 6.112 3.527 2.491 3.772 . 0 0 "[ . 1 . 2]" 1
377 1 29 THR MG 1 31 GLU H 3.599 . 5.213 2.546 1.979 2.994 0.006 8 0 "[ . 1 . 2]" 1
378 1 29 THR MG 1 31 GLU HA 4.359 2.160 6.558 4.472 3.760 4.823 . 0 0 "[ . 1 . 2]" 1
379 1 29 THR MG 1 31 GLU HB2 4.155 2.113 6.197 4.177 3.264 5.176 . 0 0 "[ . 1 . 2]" 1
380 1 29 THR MG 1 31 GLU HG2 4.243 2.133 6.354 4.965 3.942 5.935 . 0 0 "[ . 1 . 2]" 1
381 1 29 THR MG 1 32 LYS HA 3.819 2.035 5.602 4.500 4.161 5.001 . 0 0 "[ . 1 . 2]" 1
382 1 29 THR MG 1 33 PRO HD2 3.722 2.013 5.431 4.794 3.953 5.435 0.004 11 0 "[ . 1 . 2]" 1
383 1 29 THR MG 1 33 PRO HD3 4.178 2.118 6.238 3.489 2.776 4.078 . 0 0 "[ . 1 . 2]" 1
384 1 29 THR MG 1 33 PRO HG3 4.167 2.115 6.219 4.295 2.898 5.487 . 0 0 "[ . 1 . 2]" 1
385 1 30 TRP HA 1 31 GLU H 3.677 2.002 5.351 3.214 2.449 3.461 . 0 0 "[ . 1 . 2]" 1
386 1 30 TRP HB2 1 31 GLU H 3.852 2.043 5.662 3.555 2.963 4.401 . 0 0 "[ . 1 . 2]" 1
387 1 30 TRP HB3 1 31 GLU H 3.671 2.001 5.341 4.269 3.892 4.403 . 0 0 "[ . 1 . 2]" 1
388 1 31 GLU HA 1 32 LYS H 1.862 . 2.362 2.244 2.154 2.343 . 0 0 "[ . 1 . 2]" 1
389 1 31 GLU HB2 1 32 LYS H 3.343 . 4.760 4.131 3.942 4.490 . 0 0 "[ . 1 . 2]" 1
390 1 31 GLU HB3 1 32 LYS H 3.569 . 5.161 3.928 3.654 4.270 . 0 0 "[ . 1 . 2]" 1
391 1 31 GLU HG2 1 32 LYS H 3.328 . 4.734 3.769 2.707 4.454 . 0 0 "[ . 1 . 2]" 1
392 1 32 LYS HA 1 33 PRO HD3 2.774 . 3.753 2.356 1.791 2.717 0.003 16 0 "[ . 1 . 2]" 1
393 1 32 LYS HA 1 36 LEU MD2 4.140 2.109 6.170 4.168 2.705 5.157 . 0 0 "[ . 1 . 2]" 1
394 1 32 LYS HB2 1 33 PRO HD2 4.404 2.170 6.638 4.212 3.971 4.540 . 0 0 "[ . 1 . 2]" 1
395 1 32 LYS HB2 1 36 LEU MD2 4.402 2.170 6.635 5.451 4.055 6.549 . 0 0 "[ . 1 . 2]" 1
396 1 32 LYS HB2 1 37 LYS HA 3.866 2.046 5.685 4.928 3.357 5.690 0.005 7 0 "[ . 1 . 2]" 1
397 1 32 LYS HE2 1 36 LEU MD2 4.469 2.185 6.753 4.064 2.519 5.292 . 0 0 "[ . 1 . 2]" 1
398 1 32 LYS HE2 1 36 LEU HG 3.372 . 4.811 3.645 2.042 4.817 0.006 2 0 "[ . 1 . 2]" 1
399 1 32 LYS HG2 1 36 LEU HB3 3.358 . 4.787 3.662 2.767 4.782 . 0 0 "[ . 1 . 2]" 1
400 1 32 LYS HG2 1 36 LEU MD2 3.924 2.059 5.788 4.088 2.291 5.338 . 0 0 "[ . 1 . 2]" 1
401 1 32 LYS HG2 1 36 LEU HG 3.685 2.004 5.365 4.244 3.125 5.366 0.001 16 0 "[ . 1 . 2]" 1
402 1 32 LYS HG3 1 33 PRO HD2 4.033 2.085 5.982 3.018 2.460 5.025 . 0 0 "[ . 1 . 2]" 1
403 1 32 LYS HG3 1 33 PRO HD3 3.679 2.003 5.355 4.316 3.532 5.363 0.008 7 0 "[ . 1 . 2]" 1
404 1 32 LYS HG3 1 36 LEU HB3 3.815 2.034 5.595 3.965 2.775 5.493 . 0 0 "[ . 1 . 2]" 1
405 1 32 LYS HG3 1 36 LEU MD2 4.047 2.088 6.006 3.739 2.588 5.060 . 0 0 "[ . 1 . 2]" 1
406 1 32 LYS HG3 1 36 LEU HG 3.956 2.067 5.845 4.254 3.271 5.734 . 0 0 "[ . 1 . 2]" 1
407 1 33 PRO HA 1 34 GLN H 1.750 . 2.250 2.227 2.162 2.253 0.003 18 0 "[ . 1 . 2]" 1
408 1 33 PRO HA 1 35 GLU H 3.732 2.015 5.450 3.936 3.722 4.105 . 0 0 "[ . 1 . 2]" 1
409 1 33 PRO HB2 1 34 GLN H 3.303 . 4.690 3.307 3.048 3.643 . 0 0 "[ . 1 . 2]" 1
410 1 33 PRO HB2 1 35 GLU H 3.610 . 5.233 2.608 2.334 3.005 . 0 0 "[ . 1 . 2]" 1
411 1 33 PRO HB2 1 35 GLU HG2 3.636 . 5.280 2.522 2.034 3.609 . 0 0 "[ . 1 . 2]" 1
412 1 33 PRO HB3 1 34 GLN H 3.473 . 4.991 3.473 3.155 3.718 . 0 0 "[ . 1 . 2]" 1
413 1 33 PRO HB3 1 35 GLU H 3.393 . 4.848 3.781 3.343 4.227 . 0 0 "[ . 1 . 2]" 1
414 1 33 PRO HB3 1 35 GLU HB3 3.956 2.067 5.845 5.706 5.207 5.853 0.008 1 0 "[ . 1 . 2]" 1
415 1 33 PRO HB3 1 35 GLU HG2 3.815 2.034 5.595 3.637 3.289 4.470 . 0 0 "[ . 1 . 2]" 1
416 1 33 PRO HB3 1 36 LEU H 3.561 . 5.146 4.408 4.020 5.010 . 0 0 "[ . 1 . 2]" 1
417 1 33 PRO HD2 1 36 LEU MD2 4.133 2.108 6.158 2.848 2.105 3.758 0.002 20 0 "[ . 1 . 2]" 1
418 1 33 PRO HD3 1 36 LEU HB3 3.871 2.047 5.694 4.252 3.547 4.861 . 0 0 "[ . 1 . 2]" 1
419 1 33 PRO HD3 1 36 LEU MD2 3.765 2.023 5.507 3.929 3.083 4.840 . 0 0 "[ . 1 . 2]" 1
420 1 33 PRO HG2 1 34 GLN H 4.089 2.097 6.081 5.112 4.696 5.478 . 0 0 "[ . 1 . 2]" 1
421 1 33 PRO HG2 1 36 LEU MD2 4.184 2.119 6.249 2.747 2.164 3.507 . 0 0 "[ . 1 . 2]" 1
422 1 33 PRO HG3 1 36 LEU MD2 4.401 2.169 6.632 3.528 2.925 4.309 . 0 0 "[ . 1 . 2]" 1
423 1 34 GLN H 1 35 GLU H 2.920 . 4.013 2.639 2.439 2.766 . 0 0 "[ . 1 . 2]" 1
424 1 34 GLN HA 1 35 GLU H 2.852 . 3.892 3.433 3.312 3.503 . 0 0 "[ . 1 . 2]" 1
425 1 34 GLN HA 1 36 LEU H 3.881 2.050 5.713 3.731 3.394 4.043 . 0 0 "[ . 1 . 2]" 1
426 1 34 GLN HA 1 37 LYS H 3.838 2.039 5.636 3.587 3.012 3.987 . 0 0 "[ . 1 . 2]" 1
427 1 34 GLN HA 1 37 LYS HB3 4.072 2.094 6.051 3.664 2.229 4.798 . 0 0 "[ . 1 . 2]" 1
428 1 34 GLN HA 1 37 LYS HD2 3.648 . 5.301 4.038 2.399 5.304 0.003 16 0 "[ . 1 . 2]" 1
429 1 34 GLN HA 1 37 LYS HG2 3.684 2.004 5.364 3.520 1.994 5.311 0.010 17 0 "[ . 1 . 2]" 1
430 1 34 GLN HA 1 37 LYS HG3 3.936 2.062 5.809 3.892 2.431 5.812 0.003 18 0 "[ . 1 . 2]" 1
431 1 34 GLN HB2 1 35 GLU H 2.908 . 3.990 3.377 2.725 4.011 0.020 7 0 "[ . 1 . 2]" 1
432 1 34 GLN HG2 1 35 GLU H 3.541 . 5.111 4.442 2.498 5.127 0.016 6 0 "[ . 1 . 2]" 1
433 1 35 GLU H 1 36 LEU H 3.007 . 4.166 2.385 2.178 2.590 . 0 0 "[ . 1 . 2]" 1
434 1 35 GLU HA 1 36 LEU H 3.178 . 4.468 3.344 3.206 3.439 . 0 0 "[ . 1 . 2]" 1
435 1 35 GLU HA 1 37 LYS H 3.846 2.041 5.651 3.874 3.626 4.165 . 0 0 "[ . 1 . 2]" 1
436 1 35 GLU HB2 1 36 LEU H 3.863 2.045 5.680 4.130 3.993 4.356 . 0 0 "[ . 1 . 2]" 1
437 1 35 GLU HB3 1 36 LEU H 3.807 2.032 5.581 4.315 4.115 4.470 . 0 0 "[ . 1 . 2]" 1
438 1 35 GLU HG2 1 36 LEU H 3.636 . 5.280 3.258 2.597 4.576 . 0 0 "[ . 1 . 2]" 1
439 1 35 GLU HG2 1 36 LEU HB2 3.638 . 5.283 3.637 2.904 5.085 . 0 0 "[ . 1 . 2]" 1
440 1 35 GLU HG2 1 36 LEU MD1 4.054 2.089 6.019 5.075 4.451 6.023 0.004 5 0 "[ . 1 . 2]" 1
441 1 36 LEU H 1 37 LYS H 2.442 . 3.166 2.211 1.968 2.605 . 0 0 "[ . 1 . 2]" 1
442 1 36 LEU HA 1 37 LYS H 2.781 . 3.766 3.112 2.786 3.264 . 0 0 "[ . 1 . 2]" 1
443 1 36 LEU HB3 1 37 LYS H 3.652 . 5.308 3.780 3.550 4.139 . 0 0 "[ . 1 . 2]" 1
444 1 36 LEU MD1 1 37 LYS H 4.381 2.165 6.598 4.588 4.296 4.752 . 0 0 "[ . 1 . 2]" 1
445 1 36 LEU MD2 1 37 LYS H 4.418 2.173 6.663 5.346 5.205 5.532 . 0 0 "[ . 1 . 2]" 1
446 1 36 LEU HG 1 37 LYS H 3.535 . 5.100 4.734 4.592 4.996 . 0 0 "[ . 1 . 2]" 1
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