NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596184 |
2n4s   |
25679 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n4s
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 493
_Distance_constraint_stats_list.Viol_count 612
_Distance_constraint_stats_list.Viol_total 246.160
_Distance_constraint_stats_list.Viol_max 0.374
_Distance_constraint_stats_list.Viol_rms 0.0116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0201
_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 3.004 0.374 3 0 "[ . 1 . 2]"
1 2 ALA 2.077 0.338 1 0 "[ . 1 . 2]"
1 3 THR 0.951 0.374 3 0 "[ . 1 . 2]"
1 4 ALA 0.034 0.010 17 0 "[ . 1 . 2]"
1 5 VAL 0.108 0.014 12 0 "[ . 1 . 2]"
1 6 SER 0.097 0.017 11 0 "[ . 1 . 2]"
1 7 GLU 0.728 0.035 18 0 "[ . 1 . 2]"
1 8 TRP 1.269 0.051 1 0 "[ . 1 . 2]"
1 9 THR 0.909 0.051 1 0 "[ . 1 . 2]"
1 10 GLU 0.579 0.022 8 0 "[ . 1 . 2]"
1 11 TYR 0.248 0.018 3 0 "[ . 1 . 2]"
1 12 LYS 4.520 0.119 11 0 "[ . 1 . 2]"
1 13 THR 0.147 0.014 15 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 0.036 0.010 16 0 "[ . 1 . 2]"
1 17 LYS 4.741 0.119 11 0 "[ . 1 . 2]"
1 18 THR 0.568 0.021 16 0 "[ . 1 . 2]"
1 19 TYR 0.599 0.021 16 0 "[ . 1 . 2]"
1 20 TYR 0.411 0.022 8 0 "[ . 1 . 2]"
1 21 TYR 0.131 0.019 18 0 "[ . 1 . 2]"
1 22 ASN 0.721 0.035 18 0 "[ . 1 . 2]"
1 23 ASN 0.161 0.011 6 0 "[ . 1 . 2]"
1 24 ARG 0.034 0.011 6 0 "[ . 1 . 2]"
1 25 THR 0.073 0.013 12 0 "[ . 1 . 2]"
1 26 GLU 0.070 0.008 12 0 "[ . 1 . 2]"
1 27 GLU 0.115 0.011 19 0 "[ . 1 . 2]"
1 28 SER 0.127 0.012 6 0 "[ . 1 . 2]"
1 29 THR 0.067 0.009 7 0 "[ . 1 . 2]"
1 30 TRP 0.773 0.031 1 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.091 0.017 3 0 "[ . 1 . 2]"
1 33 PRO 0.170 0.011 2 0 "[ . 1 . 2]"
1 34 GLN 0.365 0.026 15 0 "[ . 1 . 2]"
1 35 GLU 0.558 0.026 15 0 "[ . 1 . 2]"
1 36 LEU 0.113 0.012 5 0 "[ . 1 . 2]"
1 37 LYS 0.017 0.006 2 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 2.475 . 3.225 3.030 2.169 3.563 0.338 1 0 "[ . 1 . 2]" 1
2 1 1 GLY HA3 1 3 THR H 3.939 2.063 5.815 5.437 4.389 6.189 0.374 3 0 "[ . 1 . 2]" 1
3 1 2 ALA HA 1 3 THR H 1.827 . 2.327 2.199 2.110 2.332 0.005 9 0 "[ . 1 . 2]" 1
4 1 2 ALA MB 1 3 THR H 3.426 . 4.907 3.421 2.822 3.657 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR HA 1 4 ALA H 2.276 . 2.873 2.289 2.094 2.883 0.010 17 0 "[ . 1 . 2]" 1
6 1 3 THR HB 1 4 ALA H 3.240 . 4.579 4.084 2.769 4.452 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR MG 1 4 ALA H 4.047 2.088 6.006 3.540 2.479 4.360 . 0 0 "[ . 1 . 2]" 1
8 1 4 ALA H 1 5 VAL H 3.013 . 4.178 3.813 3.066 4.186 0.009 13 0 "[ . 1 . 2]" 1
9 1 4 ALA H 1 5 VAL MG2 4.414 2.172 6.656 4.995 3.518 6.313 . 0 0 "[ . 1 . 2]" 1
10 1 4 ALA HA 1 5 VAL H 1.830 . 2.330 2.214 2.121 2.336 0.005 8 0 "[ . 1 . 2]" 1
11 1 4 ALA HA 1 5 VAL MG2 4.023 2.082 5.964 4.485 3.460 5.615 . 0 0 "[ . 1 . 2]" 1
12 1 4 ALA MB 1 5 VAL H 3.450 . 4.949 3.402 2.704 3.661 . 0 0 "[ . 1 . 2]" 1
13 1 5 VAL H 1 6 SER H 3.092 . 4.317 4.030 3.055 4.331 0.014 12 0 "[ . 1 . 2]" 1
14 1 5 VAL HA 1 6 SER H 1.917 . 2.417 2.218 2.109 2.431 0.014 6 0 "[ . 1 . 2]" 1
15 1 5 VAL HB 1 6 SER H 3.201 . 4.509 3.982 2.127 4.515 0.005 8 0 "[ . 1 . 2]" 1
16 1 5 VAL MG1 1 6 SER H 4.546 2.203 6.889 3.833 2.789 4.275 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL MG2 1 6 SER H 3.480 . 5.003 3.627 2.113 4.363 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL MG2 1 7 GLU H 4.452 2.181 6.723 5.137 3.097 6.734 0.011 2 0 "[ . 1 . 2]" 1
19 1 6 SER H 1 7 GLU H 3.576 . 5.172 4.087 2.356 4.654 . 0 0 "[ . 1 . 2]" 1
20 1 6 SER HA 1 7 GLU H 2.121 . 2.621 2.204 2.118 2.638 0.017 11 0 "[ . 1 . 2]" 1
21 1 6 SER HA 1 8 TRP H 3.500 . 5.038 3.683 3.168 4.065 . 0 0 "[ . 1 . 2]" 1
22 1 6 SER HB2 1 7 GLU H 3.489 . 5.019 3.518 2.862 4.364 . 0 0 "[ . 1 . 2]" 1
23 1 6 SER HB2 1 8 TRP H 3.845 2.041 5.650 3.410 2.525 5.656 0.006 11 0 "[ . 1 . 2]" 1
24 1 6 SER HB3 1 7 GLU H 3.571 . 5.164 4.227 3.935 4.633 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLU H 1 8 TRP H 2.763 . 3.735 2.483 1.782 3.126 0.009 8 0 "[ . 1 . 2]" 1
26 1 7 GLU H 1 8 TRP HD1 3.710 2.010 5.410 3.748 2.946 5.166 . 0 0 "[ . 1 . 2]" 1
27 1 7 GLU HA 1 8 TRP H 3.205 . 4.517 3.445 3.376 3.505 . 0 0 "[ . 1 . 2]" 1
28 1 7 GLU HA 1 23 ASN HB2 2.828 . 3.850 3.679 3.255 3.858 0.009 8 0 "[ . 1 . 2]" 1
29 1 7 GLU HA 1 23 ASN HD21 3.503 . 5.043 3.360 3.167 3.462 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLU HA 1 23 ASN HD22 3.361 . 4.792 4.737 4.351 4.801 0.010 12 0 "[ . 1 . 2]" 1
31 1 7 GLU HB2 1 8 TRP H 3.656 . 5.314 4.023 3.913 4.123 . 0 0 "[ . 1 . 2]" 1
32 1 7 GLU HB2 1 8 TRP HD1 3.202 . 4.511 4.055 3.727 4.323 . 0 0 "[ . 1 . 2]" 1
33 1 7 GLU HB2 1 8 TRP HE1 3.697 2.007 5.387 5.065 4.569 5.390 0.004 9 0 "[ . 1 . 2]" 1
34 1 7 GLU HB2 1 22 ASN HD21 3.351 . 4.774 4.789 4.741 4.810 0.035 18 0 "[ . 1 . 2]" 1
35 1 7 GLU HB3 1 8 TRP H 3.675 2.002 5.348 2.973 2.830 3.124 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLU HB3 1 8 TRP HD1 3.688 2.005 5.372 2.400 2.001 2.856 0.004 18 0 "[ . 1 . 2]" 1
37 1 7 GLU HB3 1 22 ASN HD21 3.799 2.030 5.567 3.510 3.077 4.344 . 0 0 "[ . 1 . 2]" 1
38 1 7 GLU HB3 1 22 ASN HD22 3.216 . 4.535 3.614 2.919 4.548 0.013 2 0 "[ . 1 . 2]" 1
39 1 7 GLU HG2 1 8 TRP H 3.564 . 5.152 4.585 3.679 5.163 0.012 16 0 "[ . 1 . 2]" 1
40 1 7 GLU HG2 1 8 TRP HD1 3.474 . 4.993 3.920 2.589 4.996 0.004 9 0 "[ . 1 . 2]" 1
41 1 7 GLU HG2 1 8 TRP HE1 4.143 2.110 6.176 3.976 2.705 5.196 . 0 0 "[ . 1 . 2]" 1
42 1 7 GLU HG2 1 22 ASN HB3 4.078 2.095 6.060 5.378 4.695 6.064 0.004 10 0 "[ . 1 . 2]" 1
43 1 7 GLU HG2 1 22 ASN HD21 3.603 . 5.221 2.708 1.960 3.704 0.025 18 0 "[ . 1 . 2]" 1
44 1 7 GLU HG3 1 8 TRP H 3.557 . 5.139 4.545 3.878 4.959 . 0 0 "[ . 1 . 2]" 1
45 1 7 GLU HG3 1 8 TRP HD1 3.480 . 5.003 4.490 3.244 5.008 0.005 7 0 "[ . 1 . 2]" 1
46 1 7 GLU HG3 1 22 ASN HB3 4.028 2.083 5.972 5.564 4.915 5.988 0.016 18 0 "[ . 1 . 2]" 1
47 1 7 GLU HG3 1 22 ASN HD21 3.643 . 5.291 3.332 2.062 4.136 . 0 0 "[ . 1 . 2]" 1
48 1 8 TRP H 1 36 LEU MD1 4.434 2.177 6.691 5.011 3.970 5.875 . 0 0 "[ . 1 . 2]" 1
49 1 8 TRP H 1 36 LEU MD2 4.402 2.170 6.634 4.488 3.172 5.475 . 0 0 "[ . 1 . 2]" 1
50 1 8 TRP HA 1 9 THR H 2.511 . 3.290 2.150 2.100 2.174 . 0 0 "[ . 1 . 2]" 1
51 1 8 TRP HA 1 21 TYR H 3.902 2.054 5.750 4.217 4.003 4.364 . 0 0 "[ . 1 . 2]" 1
52 1 8 TRP HA 1 22 ASN HA 3.560 . 5.145 2.389 2.283 2.492 . 0 0 "[ . 1 . 2]" 1
53 1 8 TRP HA 1 23 ASN H 3.444 . 4.939 3.409 3.195 3.654 . 0 0 "[ . 1 . 2]" 1
54 1 8 TRP HB2 1 9 THR H 3.790 2.028 5.551 3.726 3.634 3.911 . 0 0 "[ . 1 . 2]" 1
55 1 8 TRP HB2 1 20 TYR HB2 3.974 2.071 5.878 5.558 4.918 5.883 0.006 19 0 "[ . 1 . 2]" 1
56 1 8 TRP HB2 1 20 TYR HB3 4.041 2.086 5.995 3.874 3.256 4.205 . 0 0 "[ . 1 . 2]" 1
57 1 8 TRP HB2 1 36 LEU MD1 4.247 2.134 6.361 4.450 3.263 5.066 . 0 0 "[ . 1 . 2]" 1
58 1 8 TRP HB2 1 36 LEU MD2 4.092 2.098 6.087 2.916 2.091 3.807 0.007 17 0 "[ . 1 . 2]" 1
59 1 8 TRP HB3 1 9 THR H 3.360 . 4.790 2.590 2.490 2.880 . 0 0 "[ . 1 . 2]" 1
60 1 8 TRP HB3 1 9 THR HB 3.467 . 4.980 5.023 5.014 5.031 0.051 1 0 "[ . 1 . 2]" 1
61 1 8 TRP HB3 1 20 TYR HA 3.749 2.019 5.479 3.870 3.542 4.156 . 0 0 "[ . 1 . 2]" 1
62 1 8 TRP HB3 1 36 LEU MD1 4.265 2.138 6.393 5.766 4.615 6.340 . 0 0 "[ . 1 . 2]" 1
63 1 8 TRP HB3 1 36 LEU MD2 4.022 2.082 5.961 3.876 2.925 4.695 . 0 0 "[ . 1 . 2]" 1
64 1 8 TRP HD1 1 33 PRO HB2 3.692 2.006 5.378 3.800 3.416 4.479 . 0 0 "[ . 1 . 2]" 1
65 1 8 TRP HD1 1 33 PRO HB3 3.785 2.027 5.542 3.567 2.960 5.095 . 0 0 "[ . 1 . 2]" 1
66 1 8 TRP HD1 1 33 PRO HG2 3.852 2.043 5.662 4.377 3.940 5.251 . 0 0 "[ . 1 . 2]" 1
67 1 8 TRP HD1 1 33 PRO HG3 4.019 2.081 5.958 4.516 3.325 5.423 . 0 0 "[ . 1 . 2]" 1
68 1 8 TRP HD1 1 35 GLU HB2 3.532 . 5.095 4.526 3.178 5.098 0.003 4 0 "[ . 1 . 2]" 1
69 1 8 TRP HD1 1 35 GLU HB3 3.410 . 4.879 4.660 2.709 4.901 0.021 14 0 "[ . 1 . 2]" 1
70 1 8 TRP HD1 1 35 GLU HG2 3.290 . 4.666 2.867 2.191 4.500 . 0 0 "[ . 1 . 2]" 1
71 1 8 TRP HD1 1 36 LEU MD1 3.986 2.074 5.898 5.376 4.340 5.902 0.004 2 0 "[ . 1 . 2]" 1
72 1 8 TRP HD1 1 36 LEU MD2 4.031 2.084 5.978 4.722 3.369 5.493 . 0 0 "[ . 1 . 2]" 1
73 1 8 TRP HE1 1 22 ASN HD22 3.714 2.011 5.418 3.472 3.288 3.750 . 0 0 "[ . 1 . 2]" 1
74 1 8 TRP HE1 1 33 PRO HB2 3.641 . 5.288 3.987 3.159 4.332 . 0 0 "[ . 1 . 2]" 1
75 1 8 TRP HE1 1 33 PRO HB3 3.787 2.028 5.547 3.019 2.543 3.658 . 0 0 "[ . 1 . 2]" 1
76 1 8 TRP HE1 1 33 PRO HG2 4.076 2.095 6.058 5.190 4.060 5.867 . 0 0 "[ . 1 . 2]" 1
77 1 8 TRP HE1 1 33 PRO HG3 4.132 2.107 6.156 4.754 3.921 5.212 . 0 0 "[ . 1 . 2]" 1
78 1 8 TRP HE1 1 35 GLU HB2 3.992 2.075 5.909 5.184 3.150 5.923 0.015 19 0 "[ . 1 . 2]" 1
79 1 8 TRP HE1 1 35 GLU HB3 3.867 2.046 5.687 4.617 2.457 5.173 . 0 0 "[ . 1 . 2]" 1
80 1 8 TRP HE1 1 35 GLU HG2 3.628 . 5.265 3.299 2.575 5.268 0.003 2 0 "[ . 1 . 2]" 1
81 1 8 TRP HE3 1 9 THR H 3.578 . 5.176 3.880 3.634 4.239 . 0 0 "[ . 1 . 2]" 1
82 1 8 TRP HE3 1 20 TYR HA 3.720 2.012 5.428 3.627 3.447 3.922 . 0 0 "[ . 1 . 2]" 1
83 1 8 TRP HE3 1 20 TYR HB2 2.804 . 3.807 3.074 2.763 3.442 . 0 0 "[ . 1 . 2]" 1
84 1 8 TRP HE3 1 20 TYR HB3 2.878 . 3.939 2.185 1.920 2.612 . 0 0 "[ . 1 . 2]" 1
85 1 8 TRP HE3 1 20 TYR QD 3.983 2.073 5.893 4.247 3.837 4.624 . 0 0 "[ . 1 . 2]" 1
86 1 8 TRP HE3 1 21 TYR H 3.517 . 5.068 3.121 2.748 3.376 . 0 0 "[ . 1 . 2]" 1
87 1 8 TRP HE3 1 21 TYR HA 3.864 2.046 5.683 3.403 3.158 3.680 . 0 0 "[ . 1 . 2]" 1
88 1 8 TRP HE3 1 22 ASN HA 3.626 . 5.262 3.754 3.502 4.010 . 0 0 "[ . 1 . 2]" 1
89 1 8 TRP HE3 1 22 ASN HB3 3.885 2.050 5.719 4.712 4.481 5.032 . 0 0 "[ . 1 . 2]" 1
90 1 8 TRP HE3 1 29 THR MG 3.961 2.068 5.853 3.694 3.174 3.954 . 0 0 "[ . 1 . 2]" 1
91 1 8 TRP HE3 1 33 PRO HG2 3.911 2.056 5.766 4.540 3.920 5.632 . 0 0 "[ . 1 . 2]" 1
92 1 8 TRP HE3 1 33 PRO HG3 4.053 2.089 6.016 3.404 3.009 3.964 . 0 0 "[ . 1 . 2]" 1
93 1 8 TRP HE3 1 36 LEU MD2 4.408 2.171 6.645 5.352 4.478 6.077 . 0 0 "[ . 1 . 2]" 1
94 1 8 TRP HH2 1 22 ASN HB2 3.927 2.060 5.793 3.333 3.116 3.596 . 0 0 "[ . 1 . 2]" 1
95 1 8 TRP HH2 1 22 ASN HB3 3.737 2.016 5.458 4.110 3.901 4.458 . 0 0 "[ . 1 . 2]" 1
96 1 8 TRP HH2 1 27 GLU HB2 3.617 . 5.245 4.733 4.244 5.246 0.001 19 0 "[ . 1 . 2]" 1
97 1 8 TRP HH2 1 27 GLU HB3 3.843 2.041 5.645 5.462 5.175 5.651 0.006 2 0 "[ . 1 . 2]" 1
98 1 8 TRP HH2 1 27 GLU HG2 4.017 2.081 5.952 3.953 3.545 4.525 . 0 0 "[ . 1 . 2]" 1
99 1 8 TRP HH2 1 27 GLU HG3 3.781 2.026 5.536 2.868 2.515 3.392 . 0 0 "[ . 1 . 2]" 1
100 1 8 TRP HH2 1 29 THR HB 3.768 2.023 5.513 4.295 3.729 4.922 . 0 0 "[ . 1 . 2]" 1
101 1 8 TRP HH2 1 29 THR MG 3.529 . 5.090 2.655 2.366 2.934 . 0 0 "[ . 1 . 2]" 1
102 1 8 TRP HH2 1 33 PRO HG3 4.198 2.123 6.273 5.137 4.046 6.102 . 0 0 "[ . 1 . 2]" 1
103 1 8 TRP HZ2 1 22 ASN HB3 3.969 2.070 5.868 4.530 4.242 4.879 . 0 0 "[ . 1 . 2]" 1
104 1 8 TRP HZ2 1 22 ASN HD22 3.494 . 5.027 4.318 3.963 4.600 . 0 0 "[ . 1 . 2]" 1
105 1 8 TRP HZ2 1 29 THR MG 4.179 2.118 6.240 4.396 4.087 4.732 . 0 0 "[ . 1 . 2]" 1
106 1 8 TRP HZ2 1 33 PRO HB2 3.810 2.033 5.587 5.283 4.310 5.597 0.009 12 0 "[ . 1 . 2]" 1
107 1 8 TRP HZ2 1 33 PRO HB3 4.018 2.081 5.955 3.687 3.140 4.015 . 0 0 "[ . 1 . 2]" 1
108 1 8 TRP HZ2 1 33 PRO HG3 4.112 2.103 6.121 4.984 4.112 5.584 . 0 0 "[ . 1 . 2]" 1
109 1 8 TRP HZ3 1 20 TYR HB2 3.419 . 4.895 3.458 3.035 3.840 . 0 0 "[ . 1 . 2]" 1
110 1 8 TRP HZ3 1 20 TYR HB3 3.450 . 4.950 3.793 3.359 4.421 . 0 0 "[ . 1 . 2]" 1
111 1 8 TRP HZ3 1 21 TYR HA 3.585 . 5.188 3.665 3.255 4.006 . 0 0 "[ . 1 . 2]" 1
112 1 8 TRP HZ3 1 22 ASN H 3.556 . 5.137 3.394 3.145 3.617 . 0 0 "[ . 1 . 2]" 1
113 1 8 TRP HZ3 1 22 ASN HB2 3.833 2.038 5.628 3.412 3.007 3.837 . 0 0 "[ . 1 . 2]" 1
114 1 8 TRP HZ3 1 22 ASN HB3 3.626 . 5.261 4.205 3.866 4.714 . 0 0 "[ . 1 . 2]" 1
115 1 8 TRP HZ3 1 27 GLU HG2 4.249 2.135 6.365 4.376 3.905 5.129 . 0 0 "[ . 1 . 2]" 1
116 1 8 TRP HZ3 1 27 GLU HG3 4.137 2.109 6.166 2.958 2.530 3.542 . 0 0 "[ . 1 . 2]" 1
117 1 8 TRP HZ3 1 28 SER HA 3.484 . 5.010 3.670 3.180 4.654 . 0 0 "[ . 1 . 2]" 1
118 1 8 TRP HZ3 1 29 THR H 3.546 . 5.120 2.941 2.580 3.583 . 0 0 "[ . 1 . 2]" 1
119 1 8 TRP HZ3 1 29 THR MG 3.349 . 4.772 1.927 1.918 1.963 0.009 7 0 "[ . 1 . 2]" 1
120 1 8 TRP HZ3 1 33 PRO HG3 4.225 2.129 6.321 4.464 3.972 5.502 . 0 0 "[ . 1 . 2]" 1
121 1 9 THR H 1 20 TYR HA 3.960 2.068 5.852 4.190 3.987 4.495 . 0 0 "[ . 1 . 2]" 1
122 1 9 THR H 1 21 TYR H 3.302 . 4.689 2.674 2.493 2.892 . 0 0 "[ . 1 . 2]" 1
123 1 9 THR H 1 22 ASN HA 3.769 2.024 5.515 3.842 3.729 3.986 . 0 0 "[ . 1 . 2]" 1
124 1 9 THR H 1 23 ASN HD21 4.215 2.127 6.303 4.352 3.878 5.948 . 0 0 "[ . 1 . 2]" 1
125 1 9 THR H 1 23 ASN HD22 4.051 2.089 6.013 3.871 3.460 4.887 . 0 0 "[ . 1 . 2]" 1
126 1 9 THR HA 1 10 GLU H 1.925 . 2.425 2.265 2.183 2.345 . 0 0 "[ . 1 . 2]" 1
127 1 9 THR HB 1 10 GLU H 2.974 . 4.108 4.072 3.943 4.120 0.012 4 0 "[ . 1 . 2]" 1
128 1 9 THR HB 1 11 TYR QD 3.938 2.063 5.813 4.566 4.370 4.796 . 0 0 "[ . 1 . 2]" 1
129 1 9 THR HB 1 11 TYR QE 3.328 . 4.734 3.379 2.937 3.730 . 0 0 "[ . 1 . 2]" 1
130 1 9 THR HB 1 21 TYR H 3.893 2.052 5.734 3.657 3.347 3.956 . 0 0 "[ . 1 . 2]" 1
131 1 9 THR HB 1 21 TYR HB2 3.557 . 5.139 4.388 4.055 4.591 . 0 0 "[ . 1 . 2]" 1
132 1 9 THR HB 1 21 TYR HB3 3.669 2.001 5.338 2.674 2.328 2.869 . 0 0 "[ . 1 . 2]" 1
133 1 9 THR HB 1 21 TYR QD 3.802 2.031 5.573 2.821 2.197 3.425 . 0 0 "[ . 1 . 2]" 1
134 1 9 THR HB 1 23 ASN HD21 4.079 2.095 6.062 4.896 4.469 5.944 . 0 0 "[ . 1 . 2]" 1
135 1 9 THR HB 1 23 ASN HD22 3.713 2.011 5.416 3.570 3.089 4.379 . 0 0 "[ . 1 . 2]" 1
136 1 9 THR MG 1 10 GLU H 3.295 . 4.675 2.569 2.322 2.761 . 0 0 "[ . 1 . 2]" 1
137 1 9 THR MG 1 11 TYR H 3.869 2.047 5.691 4.383 4.187 4.573 . 0 0 "[ . 1 . 2]" 1
138 1 9 THR MG 1 11 TYR QE 3.893 2.052 5.734 2.660 2.368 2.852 . 0 0 "[ . 1 . 2]" 1
139 1 9 THR MG 1 21 TYR H 4.353 2.158 6.547 4.462 4.310 4.623 . 0 0 "[ . 1 . 2]" 1
140 1 9 THR MG 1 21 TYR QD 4.340 2.155 6.525 4.074 3.549 4.696 . 0 0 "[ . 1 . 2]" 1
141 1 9 THR MG 1 23 ASN HD22 4.218 2.127 6.309 4.175 3.826 4.701 . 0 0 "[ . 1 . 2]" 1
142 1 10 GLU H 1 36 LEU MD2 4.433 2.177 6.689 4.855 3.875 5.678 . 0 0 "[ . 1 . 2]" 1
143 1 10 GLU HA 1 11 TYR H 2.164 . 2.674 2.122 2.085 2.162 . 0 0 "[ . 1 . 2]" 1
144 1 10 GLU HA 1 11 TYR QD 4.141 2.110 6.173 4.061 3.657 4.333 . 0 0 "[ . 1 . 2]" 1
145 1 10 GLU HA 1 18 THR MG 3.861 2.045 5.677 4.162 3.648 4.488 . 0 0 "[ . 1 . 2]" 1
146 1 10 GLU HA 1 20 TYR HA 3.737 2.016 5.458 2.641 2.497 2.780 . 0 0 "[ . 1 . 2]" 1
147 1 10 GLU HA 1 20 TYR QD 3.514 . 5.063 3.101 2.555 3.671 . 0 0 "[ . 1 . 2]" 1
148 1 10 GLU HA 1 20 TYR QE 3.628 . 5.265 4.294 3.898 4.813 . 0 0 "[ . 1 . 2]" 1
149 1 10 GLU HA 1 21 TYR H 3.713 2.011 5.415 3.451 3.282 3.678 . 0 0 "[ . 1 . 2]" 1
150 1 10 GLU HB2 1 11 TYR H 2.807 . 3.812 3.176 2.945 3.353 . 0 0 "[ . 1 . 2]" 1
151 1 10 GLU HB2 1 18 THR HA 3.881 2.050 5.713 4.450 4.139 4.818 . 0 0 "[ . 1 . 2]" 1
152 1 10 GLU HB2 1 18 THR HB 3.616 . 5.244 2.250 1.982 2.779 0.007 8 0 "[ . 1 . 2]" 1
153 1 10 GLU HB2 1 18 THR MG 2.935 . 4.038 2.835 2.407 3.622 . 0 0 "[ . 1 . 2]" 1
154 1 10 GLU HB2 1 20 TYR HA 3.805 2.032 5.578 3.936 3.330 4.311 . 0 0 "[ . 1 . 2]" 1
155 1 10 GLU HB2 1 20 TYR QD 3.262 . 4.618 3.109 2.516 3.742 . 0 0 "[ . 1 . 2]" 1
156 1 10 GLU HB2 1 20 TYR QE 2.866 . 3.917 2.754 2.231 3.567 . 0 0 "[ . 1 . 2]" 1
157 1 10 GLU HB2 1 36 LEU MD2 4.151 2.112 6.191 4.805 3.960 5.643 . 0 0 "[ . 1 . 2]" 1
158 1 10 GLU HB3 1 19 TYR H 4.021 2.082 5.960 5.506 5.024 5.889 . 0 0 "[ . 1 . 2]" 1
159 1 10 GLU HB3 1 20 TYR QD 3.752 2.020 5.485 2.075 2.007 2.404 0.013 11 0 "[ . 1 . 2]" 1
160 1 10 GLU HB3 1 20 TYR QE 3.428 . 4.912 2.204 1.941 2.554 0.004 9 0 "[ . 1 . 2]" 1
161 1 10 GLU HG2 1 11 TYR H 2.982 . 4.121 4.130 4.121 4.140 0.018 3 0 "[ . 1 . 2]" 1
162 1 10 GLU HG2 1 18 THR MG 3.090 . 4.313 2.805 2.275 3.210 . 0 0 "[ . 1 . 2]" 1
163 1 10 GLU HG2 1 20 TYR QE 3.013 . 4.178 4.191 4.179 4.199 0.022 8 0 "[ . 1 . 2]" 1
164 1 10 GLU HG2 1 36 LEU MD2 4.230 2.130 6.330 5.369 4.497 6.132 . 0 0 "[ . 1 . 2]" 1
165 1 10 GLU HG3 1 20 TYR QE 2.898 . 3.974 2.945 2.632 3.981 0.007 15 0 "[ . 1 . 2]" 1
166 1 11 TYR H 1 12 LYS H 3.986 2.074 5.898 4.369 4.328 4.416 . 0 0 "[ . 1 . 2]" 1
167 1 11 TYR H 1 18 THR HA 3.745 2.018 5.472 3.806 3.611 3.956 . 0 0 "[ . 1 . 2]" 1
168 1 11 TYR H 1 18 THR MG 3.847 2.042 5.652 3.290 2.879 3.578 . 0 0 "[ . 1 . 2]" 1
169 1 11 TYR H 1 19 TYR H 2.868 . 3.920 2.709 2.596 2.826 . 0 0 "[ . 1 . 2]" 1
170 1 11 TYR H 1 20 TYR HA 3.532 . 5.094 4.098 3.811 4.320 . 0 0 "[ . 1 . 2]" 1
171 1 11 TYR H 1 20 TYR QD 4.126 2.106 6.146 4.902 4.344 5.435 . 0 0 "[ . 1 . 2]" 1
172 1 11 TYR HA 1 12 LYS H 2.343 . 2.991 2.223 2.169 2.270 . 0 0 "[ . 1 . 2]" 1
173 1 11 TYR HA 1 19 TYR QE 4.302 2.147 6.458 5.100 4.904 5.475 . 0 0 "[ . 1 . 2]" 1
174 1 11 TYR HB2 1 12 LYS H 2.971 . 4.102 4.091 4.016 4.115 0.013 12 0 "[ . 1 . 2]" 1
175 1 11 TYR HB2 1 19 TYR QD 4.150 2.112 6.189 3.416 2.943 3.684 . 0 0 "[ . 1 . 2]" 1
176 1 11 TYR HB2 1 19 TYR QE 3.699 2.007 5.390 2.353 2.030 2.647 . 0 0 "[ . 1 . 2]" 1
177 1 11 TYR HB3 1 12 LYS H 3.341 . 4.758 3.137 2.945 3.307 . 0 0 "[ . 1 . 2]" 1
178 1 11 TYR HB3 1 19 TYR QE 3.797 2.030 5.564 3.334 3.077 3.670 . 0 0 "[ . 1 . 2]" 1
179 1 11 TYR QD 1 12 LYS H 3.976 2.071 5.881 4.053 3.639 4.435 . 0 0 "[ . 1 . 2]" 1
180 1 11 TYR QD 1 19 TYR QE 3.950 2.067 5.834 3.282 3.106 3.594 . 0 0 "[ . 1 . 2]" 1
181 1 11 TYR QD 1 20 TYR HA 4.167 2.115 6.218 5.341 4.408 5.896 . 0 0 "[ . 1 . 2]" 1
182 1 11 TYR QD 1 21 TYR H 4.097 2.099 6.095 4.813 4.262 5.309 . 0 0 "[ . 1 . 2]" 1
183 1 11 TYR QD 1 21 TYR HB2 3.458 . 4.964 3.975 3.283 4.524 . 0 0 "[ . 1 . 2]" 1
184 1 11 TYR QD 1 21 TYR HB3 3.544 . 5.117 3.937 3.449 4.426 . 0 0 "[ . 1 . 2]" 1
185 1 11 TYR QD 1 21 TYR QD 3.939 2.063 5.815 5.098 4.344 5.598 . 0 0 "[ . 1 . 2]" 1
186 1 11 TYR QE 1 19 TYR QE 4.250 2.135 6.366 4.575 3.988 5.360 . 0 0 "[ . 1 . 2]" 1
187 1 11 TYR QE 1 21 TYR H 4.266 2.138 6.394 5.154 3.948 5.841 . 0 0 "[ . 1 . 2]" 1
188 1 11 TYR QE 1 21 TYR HB2 3.329 . 4.735 4.089 2.460 4.737 0.002 7 0 "[ . 1 . 2]" 1
189 1 11 TYR QE 1 21 TYR HB3 3.395 . 4.852 3.389 1.960 4.070 . 0 0 "[ . 1 . 2]" 1
190 1 11 TYR QE 1 21 TYR QD 3.825 2.036 5.524 3.954 3.196 4.678 . 0 0 "[ . 1 . 2]" 1
191 1 12 LYS H 1 19 TYR QE 4.243 2.133 6.353 5.514 5.247 6.002 . 0 0 "[ . 1 . 2]" 1
192 1 12 LYS HA 1 13 THR H 2.112 . 2.612 2.076 2.045 2.113 . 0 0 "[ . 1 . 2]" 1
193 1 12 LYS HA 1 17 LYS H 3.895 2.053 5.737 4.235 4.084 4.452 . 0 0 "[ . 1 . 2]" 1
194 1 12 LYS HA 1 18 THR HA 3.482 . 5.007 1.949 1.940 1.966 0.017 19 0 "[ . 1 . 2]" 1
195 1 12 LYS HA 1 18 THR MG 4.154 2.113 6.196 2.401 2.247 2.505 . 0 0 "[ . 1 . 2]" 1
196 1 12 LYS HA 1 19 TYR H 3.277 . 4.644 3.745 3.638 3.841 . 0 0 "[ . 1 . 2]" 1
197 1 12 LYS HA 1 19 TYR QD 3.905 2.055 5.754 4.326 4.099 4.567 . 0 0 "[ . 1 . 2]" 1
198 1 12 LYS HA 1 19 TYR QE 4.098 2.099 6.096 5.403 5.032 5.939 . 0 0 "[ . 1 . 2]" 1
199 1 12 LYS HB2 1 13 THR H 3.263 . 4.620 4.369 4.323 4.418 . 0 0 "[ . 1 . 2]" 1
200 1 12 LYS HB3 1 13 THR H 3.559 . 5.143 4.165 4.107 4.222 . 0 0 "[ . 1 . 2]" 1
201 1 12 LYS HD2 1 17 LYS HB2 2.838 . 3.868 3.967 3.952 3.983 0.115 19 0 "[ . 1 . 2]" 1
202 1 12 LYS HD2 1 17 LYS HB3 2.786 . 3.776 3.476 3.271 3.603 . 0 0 "[ . 1 . 2]" 1
203 1 12 LYS HD2 1 18 THR HA 3.889 2.051 5.726 4.457 4.367 4.542 . 0 0 "[ . 1 . 2]" 1
204 1 12 LYS HD3 1 17 LYS HB2 2.746 . 3.704 3.800 3.781 3.824 0.119 11 0 "[ . 1 . 2]" 1
205 1 12 LYS HD3 1 17 LYS HB3 2.671 . 3.572 3.580 3.416 3.613 0.041 18 0 "[ . 1 . 2]" 1
206 1 12 LYS HE2 1 16 GLY HA2 4.302 2.147 6.457 6.061 5.069 6.467 0.010 16 0 "[ . 1 . 2]" 1
207 1 12 LYS HG2 1 13 THR H 3.546 . 5.119 4.646 4.511 4.786 . 0 0 "[ . 1 . 2]" 1
208 1 12 LYS HG3 1 13 THR H 3.554 . 5.135 3.018 2.857 3.185 . 0 0 "[ . 1 . 2]" 1
209 1 12 LYS HG3 1 18 THR HA 3.513 . 5.061 4.366 4.284 4.435 . 0 0 "[ . 1 . 2]" 1
210 1 13 THR H 1 16 GLY H 3.861 2.045 5.677 4.293 4.151 4.430 . 0 0 "[ . 1 . 2]" 1
211 1 13 THR H 1 17 LYS H 3.147 . 4.414 3.174 3.006 3.368 . 0 0 "[ . 1 . 2]" 1
212 1 13 THR H 1 17 LYS HB2 3.746 2.018 5.474 4.438 4.274 4.671 . 0 0 "[ . 1 . 2]" 1
213 1 13 THR H 1 18 THR HA 3.502 . 5.042 3.077 2.924 3.207 . 0 0 "[ . 1 . 2]" 1
214 1 13 THR H 1 19 TYR H 3.880 2.049 5.711 4.268 4.074 4.573 . 0 0 "[ . 1 . 2]" 1
215 1 13 THR H 1 19 TYR QD 3.941 2.063 5.819 3.741 3.574 3.991 . 0 0 "[ . 1 . 2]" 1
216 1 13 THR H 1 19 TYR QE 4.065 2.092 6.039 4.863 4.559 5.413 . 0 0 "[ . 1 . 2]" 1
217 1 13 THR HA 1 14 ALA H 2.325 . 2.960 2.283 2.256 2.326 . 0 0 "[ . 1 . 2]" 1
218 1 13 THR HA 1 14 ALA HA 3.764 2.023 5.506 4.263 4.221 4.302 . 0 0 "[ . 1 . 2]" 1
219 1 13 THR HA 1 14 ALA MB 3.785 2.027 5.543 4.079 4.040 4.107 . 0 0 "[ . 1 . 2]" 1
220 1 13 THR HA 1 19 TYR QE 3.557 . 5.139 4.585 4.230 5.105 . 0 0 "[ . 1 . 2]" 1
221 1 13 THR HB 1 14 ALA H 2.617 . 3.476 2.735 2.690 2.817 . 0 0 "[ . 1 . 2]" 1
222 1 13 THR HB 1 14 ALA MB 3.978 2.072 5.884 3.984 3.813 4.098 . 0 0 "[ . 1 . 2]" 1
223 1 13 THR MG 1 14 ALA H 3.569 . 5.161 3.374 3.252 3.505 . 0 0 "[ . 1 . 2]" 1
224 1 13 THR MG 1 19 TYR H 4.076 2.095 6.058 4.057 3.775 4.369 . 0 0 "[ . 1 . 2]" 1
225 1 13 THR MG 1 19 TYR QD 3.566 . 5.155 2.197 2.024 2.395 . 0 0 "[ . 1 . 2]" 1
226 1 13 THR MG 1 19 TYR QE 3.661 . 5.324 2.183 1.995 2.614 0.004 4 0 "[ . 1 . 2]" 1
227 1 13 THR MG 1 30 TRP HH2 3.501 . 5.040 3.606 3.391 3.931 . 0 0 "[ . 1 . 2]" 1
228 1 13 THR MG 1 30 TRP HZ2 4.189 2.120 6.257 3.997 3.297 4.680 . 0 0 "[ . 1 . 2]" 1
229 1 13 THR MG 1 30 TRP HZ3 3.509 . 5.054 5.053 4.884 5.068 0.014 15 0 "[ . 1 . 2]" 1
230 1 14 ALA H 1 15 ASP H 3.247 . 4.592 3.008 2.921 3.121 . 0 0 "[ . 1 . 2]" 1
231 1 14 ALA HA 1 15 ASP H 3.395 . 4.854 3.459 3.336 3.551 . 0 0 "[ . 1 . 2]" 1
232 1 14 ALA MB 1 15 ASP H 3.570 . 5.162 3.051 2.750 3.288 . 0 0 "[ . 1 . 2]" 1
233 1 14 ALA MB 1 16 GLY H 4.158 2.113 6.202 4.157 4.093 4.206 . 0 0 "[ . 1 . 2]" 1
234 1 15 ASP H 1 16 GLY H 2.492 . 3.255 2.494 2.349 2.646 . 0 0 "[ . 1 . 2]" 1
235 1 15 ASP HA 1 16 GLY H 3.097 . 4.325 3.286 3.208 3.336 . 0 0 "[ . 1 . 2]" 1
236 1 15 ASP HA 1 16 GLY HA2 4.134 2.108 6.160 4.951 4.845 5.024 . 0 0 "[ . 1 . 2]" 1
237 1 15 ASP HA 1 17 LYS H 3.838 2.040 5.637 4.937 4.734 5.068 . 0 0 "[ . 1 . 2]" 1
238 1 15 ASP HB2 1 16 GLY H 3.923 2.059 5.787 4.307 4.247 4.365 . 0 0 "[ . 1 . 2]" 1
239 1 15 ASP HB3 1 16 GLY H 3.972 2.070 5.873 4.195 4.018 4.384 . 0 0 "[ . 1 . 2]" 1
240 1 16 GLY H 1 17 LYS H 2.589 . 3.426 2.462 2.428 2.621 . 0 0 "[ . 1 . 2]" 1
241 1 16 GLY HA2 1 17 LYS H 2.589 . 3.428 3.162 3.077 3.322 . 0 0 "[ . 1 . 2]" 1
242 1 16 GLY HA3 1 17 LYS H 3.372 . 4.813 3.512 3.459 3.568 . 0 0 "[ . 1 . 2]" 1
243 1 17 LYS HA 1 18 THR H 1.962 . 2.462 2.454 2.397 2.482 0.019 12 0 "[ . 1 . 2]" 1
244 1 17 LYS HA 1 30 TRP HZ3 4.237 2.132 6.342 4.359 4.179 4.585 . 0 0 "[ . 1 . 2]" 1
245 1 17 LYS HB2 1 18 THR H 2.885 . 3.950 2.617 2.431 2.807 . 0 0 "[ . 1 . 2]" 1
246 1 17 LYS HB2 1 19 TYR QD 4.156 2.113 6.199 5.844 5.521 6.203 0.004 12 0 "[ . 1 . 2]" 1
247 1 17 LYS HB2 1 30 TRP HH2 3.587 . 5.193 3.469 3.444 3.509 . 0 0 "[ . 1 . 2]" 1
248 1 17 LYS HB2 1 30 TRP HZ3 2.816 . 3.828 1.862 1.790 2.115 0.014 13 0 "[ . 1 . 2]" 1
249 1 17 LYS HB3 1 18 THR H 2.827 . 3.848 2.107 1.973 2.224 . 0 0 "[ . 1 . 2]" 1
250 1 17 LYS HB3 1 30 TRP HE3 3.552 . 5.130 4.414 3.914 4.906 . 0 0 "[ . 1 . 2]" 1
251 1 17 LYS HB3 1 30 TRP HH2 3.551 . 5.129 5.147 5.138 5.160 0.031 1 0 "[ . 1 . 2]" 1
252 1 17 LYS HB3 1 30 TRP HZ3 2.750 . 3.711 3.235 3.078 3.400 . 0 0 "[ . 1 . 2]" 1
253 1 17 LYS HD2 1 30 TRP HZ3 3.860 2.045 5.676 3.873 2.808 4.511 . 0 0 "[ . 1 . 2]" 1
254 1 17 LYS HE2 1 30 TRP HE3 4.019 2.081 5.958 3.797 2.418 5.728 . 0 0 "[ . 1 . 2]" 1
255 1 17 LYS HE2 1 30 TRP HZ3 4.043 2.087 6.000 3.418 2.093 5.512 . 0 0 "[ . 1 . 2]" 1
256 1 17 LYS HG2 1 18 THR H 3.467 . 4.981 4.381 4.292 4.450 . 0 0 "[ . 1 . 2]" 1
257 1 17 LYS HG2 1 30 TRP HZ3 3.882 2.050 5.714 4.777 4.648 4.986 . 0 0 "[ . 1 . 2]" 1
258 1 17 LYS HG3 1 18 THR H 3.446 . 4.943 4.680 4.546 4.791 . 0 0 "[ . 1 . 2]" 1
259 1 17 LYS HG3 1 30 TRP HZ3 3.881 2.050 5.713 3.939 3.740 4.237 . 0 0 "[ . 1 . 2]" 1
260 1 18 THR HA 1 19 TYR H 1.860 . 2.360 2.145 2.105 2.193 . 0 0 "[ . 1 . 2]" 1
261 1 18 THR HA 1 19 TYR QD 3.715 2.011 5.418 3.606 3.392 3.824 . 0 0 "[ . 1 . 2]" 1
262 1 18 THR HB 1 19 TYR H 2.301 . 2.917 2.930 2.927 2.938 0.021 16 0 "[ . 1 . 2]" 1
263 1 18 THR HB 1 20 TYR QE 4.032 2.084 5.979 3.882 3.327 4.707 . 0 0 "[ . 1 . 2]" 1
264 1 18 THR MG 1 19 TYR H 3.124 . 4.373 3.380 2.994 3.676 . 0 0 "[ . 1 . 2]" 1
265 1 18 THR MG 1 20 TYR QE 3.761 2.022 5.501 4.358 3.928 5.028 . 0 0 "[ . 1 . 2]" 1
266 1 19 TYR H 1 30 TRP HZ3 3.834 2.039 5.630 4.211 3.927 4.616 . 0 0 "[ . 1 . 2]" 1
267 1 19 TYR HA 1 20 TYR H 2.699 . 3.621 2.297 2.233 2.350 . 0 0 "[ . 1 . 2]" 1
268 1 19 TYR HA 1 20 TYR QD 3.520 . 5.074 4.083 3.764 4.451 . 0 0 "[ . 1 . 2]" 1
269 1 19 TYR HA 1 20 TYR QE 3.969 2.070 5.868 4.844 4.425 5.409 . 0 0 "[ . 1 . 2]" 1
270 1 19 TYR HA 1 30 TRP HE3 3.211 . 4.528 3.277 3.150 3.586 . 0 0 "[ . 1 . 2]" 1
271 1 19 TYR HA 1 30 TRP HZ3 3.995 2.076 5.914 3.979 3.721 4.316 . 0 0 "[ . 1 . 2]" 1
272 1 19 TYR HB2 1 20 TYR H 3.209 . 4.524 2.910 2.816 3.004 . 0 0 "[ . 1 . 2]" 1
273 1 19 TYR HB2 1 28 SER HB2 3.998 2.076 5.919 4.162 3.476 4.706 . 0 0 "[ . 1 . 2]" 1
274 1 19 TYR HB2 1 30 TRP HA 3.744 2.018 5.470 3.679 3.077 4.217 . 0 0 "[ . 1 . 2]" 1
275 1 19 TYR HB2 1 30 TRP HE3 3.375 . 4.817 4.526 4.238 4.800 . 0 0 "[ . 1 . 2]" 1
276 1 19 TYR HB2 1 30 TRP HZ3 3.444 . 4.939 4.950 4.941 4.958 0.019 6 0 "[ . 1 . 2]" 1
277 1 19 TYR HB3 1 20 TYR H 2.990 . 4.137 4.121 4.072 4.148 0.012 18 0 "[ . 1 . 2]" 1
278 1 19 TYR HB3 1 28 SER HB2 4.001 2.077 5.924 5.503 4.792 5.936 0.012 6 0 "[ . 1 . 2]" 1
279 1 19 TYR HB3 1 30 TRP HA 3.657 . 5.315 4.392 3.868 4.700 . 0 0 "[ . 1 . 2]" 1
280 1 19 TYR HB3 1 30 TRP HE3 3.549 . 5.126 3.944 3.586 4.172 . 0 0 "[ . 1 . 2]" 1
281 1 19 TYR HB3 1 30 TRP HZ3 3.649 . 5.302 3.558 3.449 3.739 . 0 0 "[ . 1 . 2]" 1
282 1 19 TYR QD 1 20 TYR H 3.466 . 4.978 3.529 3.154 3.883 . 0 0 "[ . 1 . 2]" 1
283 1 19 TYR QD 1 21 TYR HB2 3.893 2.052 5.734 3.554 3.102 4.276 . 0 0 "[ . 1 . 2]" 1
284 1 19 TYR QD 1 28 SER HA 4.147 2.111 6.183 3.330 2.914 3.630 . 0 0 "[ . 1 . 2]" 1
285 1 19 TYR QD 1 28 SER HB2 3.366 . 4.801 2.709 1.945 3.862 . 0 0 "[ . 1 . 2]" 1
286 1 19 TYR QD 1 28 SER HB3 3.387 . 4.839 2.762 1.928 3.573 0.007 17 0 "[ . 1 . 2]" 1
287 1 19 TYR QD 1 29 THR H 3.877 2.048 5.705 3.736 3.420 4.342 . 0 0 "[ . 1 . 2]" 1
288 1 19 TYR QD 1 30 TRP HE3 4.074 2.094 6.054 5.594 5.316 5.811 . 0 0 "[ . 1 . 2]" 1
289 1 19 TYR QD 1 30 TRP HH2 3.994 2.075 5.912 3.885 3.351 4.450 . 0 0 "[ . 1 . 2]" 1
290 1 19 TYR QD 1 30 TRP HZ3 3.618 . 5.248 4.581 4.293 5.063 . 0 0 "[ . 1 . 2]" 1
291 1 19 TYR QE 1 21 TYR HA 4.333 2.154 6.512 4.336 3.574 5.111 . 0 0 "[ . 1 . 2]" 1
292 1 19 TYR QE 1 21 TYR HB2 3.463 . 4.973 2.612 1.952 3.179 0.000 13 0 "[ . 1 . 2]" 1
293 1 19 TYR QE 1 21 TYR HB3 3.625 . 5.259 4.084 3.515 4.582 . 0 0 "[ . 1 . 2]" 1
294 1 19 TYR QE 1 21 TYR QD 4.013 2.080 5.942 3.460 2.276 4.065 . 0 0 "[ . 1 . 2]" 1
295 1 19 TYR QE 1 28 SER HA 4.345 2.157 6.534 4.188 3.779 4.812 . 0 0 "[ . 1 . 2]" 1
296 1 19 TYR QE 1 28 SER HB2 3.818 2.035 5.601 3.371 2.332 4.921 . 0 0 "[ . 1 . 2]" 1
297 1 20 TYR H 1 29 THR H 3.347 . 4.768 3.257 3.083 3.461 . 0 0 "[ . 1 . 2]" 1
298 1 20 TYR H 1 29 THR MG 4.030 2.084 5.976 3.767 3.364 4.085 . 0 0 "[ . 1 . 2]" 1
299 1 20 TYR H 1 30 TRP HA 3.734 2.016 5.453 3.092 2.876 3.302 . 0 0 "[ . 1 . 2]" 1
300 1 20 TYR HA 1 21 TYR H 2.586 . 3.422 2.092 2.074 2.127 . 0 0 "[ . 1 . 2]" 1
301 1 20 TYR HB2 1 21 TYR H 3.329 . 4.735 4.221 4.096 4.285 . 0 0 "[ . 1 . 2]" 1
302 1 20 TYR HB2 1 29 THR MG 3.389 . 4.842 2.806 2.388 3.193 . 0 0 "[ . 1 . 2]" 1
303 1 20 TYR HB2 1 33 PRO HG3 3.752 2.020 5.484 3.408 2.812 4.434 . 0 0 "[ . 1 . 2]" 1
304 1 20 TYR HB3 1 21 TYR H 3.365 . 4.800 3.317 3.139 3.464 . 0 0 "[ . 1 . 2]" 1
305 1 20 TYR HB3 1 29 THR MG 3.388 . 4.840 3.926 3.547 4.351 . 0 0 "[ . 1 . 2]" 1
306 1 20 TYR HB3 1 33 PRO HG2 3.673 2.001 5.345 3.515 2.832 4.824 . 0 0 "[ . 1 . 2]" 1
307 1 20 TYR HB3 1 33 PRO HG3 3.680 2.003 5.357 2.694 2.197 3.660 . 0 0 "[ . 1 . 2]" 1
308 1 20 TYR QD 1 21 TYR H 3.872 2.047 5.698 3.815 3.461 4.061 . 0 0 "[ . 1 . 2]" 1
309 1 20 TYR QD 1 29 THR MG 3.909 2.056 5.761 3.504 2.884 4.195 . 0 0 "[ . 1 . 2]" 1
310 1 20 TYR QD 1 30 TRP HA 3.776 2.025 5.527 3.596 3.099 4.121 . 0 0 "[ . 1 . 2]" 1
311 1 20 TYR QD 1 31 GLU H 4.156 2.113 6.198 4.103 3.699 4.702 . 0 0 "[ . 1 . 2]" 1
312 1 20 TYR QD 1 32 LYS H 4.181 2.119 6.244 4.368 3.627 4.770 . 0 0 "[ . 1 . 2]" 1
313 1 20 TYR QD 1 32 LYS HA 3.011 . 4.173 2.803 2.426 3.220 . 0 0 "[ . 1 . 2]" 1
314 1 20 TYR QD 1 32 LYS HG2 4.319 2.151 6.488 5.482 5.030 5.999 . 0 0 "[ . 1 . 2]" 1
315 1 20 TYR QD 1 33 PRO HD2 3.151 . 4.422 3.630 2.621 4.100 . 0 0 "[ . 1 . 2]" 1
316 1 20 TYR QD 1 33 PRO HD3 3.885 2.050 5.720 2.778 2.260 3.355 . 0 0 "[ . 1 . 2]" 1
317 1 20 TYR QD 1 33 PRO HG2 4.394 2.168 6.620 3.926 3.238 5.262 . 0 0 "[ . 1 . 2]" 1
318 1 20 TYR QD 1 33 PRO HG3 4.384 2.165 6.602 3.672 3.342 4.666 . 0 0 "[ . 1 . 2]" 1
319 1 20 TYR QD 1 36 LEU MD2 3.801 2.031 5.571 3.183 2.669 3.886 . 0 0 "[ . 1 . 2]" 1
320 1 20 TYR HD2 1 32 LYS HG3 3.941 2.063 5.819 4.623 3.969 5.099 . 0 0 "[ . 1 . 2]" 1
321 1 20 TYR QE 1 30 TRP HA 3.959 2.068 5.851 4.676 4.200 5.662 . 0 0 "[ . 1 . 2]" 1
322 1 20 TYR QE 1 32 LYS H 3.738 2.016 5.459 4.177 3.551 5.093 . 0 0 "[ . 1 . 2]" 1
323 1 20 TYR QE 1 32 LYS HA 3.195 . 4.500 2.779 2.130 3.123 . 0 0 "[ . 1 . 2]" 1
324 1 20 TYR QE 1 32 LYS HB2 3.953 2.066 5.840 3.377 2.546 3.924 . 0 0 "[ . 1 . 2]" 1
325 1 20 TYR QE 1 32 LYS HB3 3.541 . 5.111 4.781 4.184 5.115 0.004 14 0 "[ . 1 . 2]" 1
326 1 20 TYR QE 1 32 LYS HE2 4.036 2.085 5.987 4.747 2.676 6.004 0.017 3 0 "[ . 1 . 2]" 1
327 1 20 TYR QE 1 32 LYS HG2 4.065 2.092 6.039 4.707 3.889 5.142 . 0 0 "[ . 1 . 2]" 1
328 1 20 TYR QE 1 32 LYS HG3 3.834 2.039 5.629 3.295 2.414 3.825 . 0 0 "[ . 1 . 2]" 1
329 1 20 TYR QE 1 33 PRO HD2 3.585 . 5.190 3.872 3.291 4.236 . 0 0 "[ . 1 . 2]" 1
330 1 20 TYR QE 1 33 PRO HD3 3.892 2.052 5.732 3.745 2.920 4.750 . 0 0 "[ . 1 . 2]" 1
331 1 20 TYR QE 1 36 LEU MD2 3.872 2.047 5.697 2.879 2.204 3.839 . 0 0 "[ . 1 . 2]" 1
332 1 21 TYR HA 1 22 ASN H 2.517 . 3.299 2.141 2.090 2.172 . 0 0 "[ . 1 . 2]" 1
333 1 21 TYR HA 1 22 ASN HB2 4.142 2.110 6.175 4.627 4.566 4.736 . 0 0 "[ . 1 . 2]" 1
334 1 21 TYR HA 1 28 SER HA 3.268 . 4.628 2.279 2.065 2.485 . 0 0 "[ . 1 . 2]" 1
335 1 21 TYR HA 1 28 SER HB2 3.824 2.036 5.612 4.496 3.917 5.033 . 0 0 "[ . 1 . 2]" 1
336 1 21 TYR HB2 1 22 ASN H 3.047 . 4.236 4.237 4.177 4.255 0.019 18 0 "[ . 1 . 2]" 1
337 1 21 TYR HB2 1 28 SER HA 4.029 2.084 5.974 3.604 3.194 4.142 . 0 0 "[ . 1 . 2]" 1
338 1 21 TYR HB2 1 28 SER HB2 4.091 2.098 6.085 4.489 3.704 5.418 . 0 0 "[ . 1 . 2]" 1
339 1 21 TYR HB3 1 22 ASN H 3.346 . 4.767 4.344 4.280 4.456 . 0 0 "[ . 1 . 2]" 1
340 1 21 TYR QD 1 22 ASN H 3.812 2.034 5.591 3.691 3.492 3.844 . 0 0 "[ . 1 . 2]" 1
341 1 21 TYR QD 1 23 ASN H 4.090 2.098 6.082 4.540 3.914 4.988 . 0 0 "[ . 1 . 2]" 1
342 1 21 TYR QD 1 23 ASN HA 3.624 . 5.257 3.917 3.417 4.357 . 0 0 "[ . 1 . 2]" 1
343 1 21 TYR QD 1 23 ASN HB2 4.031 2.084 5.977 5.357 5.087 5.562 . 0 0 "[ . 1 . 2]" 1
344 1 21 TYR QD 1 23 ASN HB3 3.916 2.058 5.775 5.347 5.009 5.666 . 0 0 "[ . 1 . 2]" 1
345 1 21 TYR QD 1 23 ASN HD22 3.980 2.072 5.888 3.460 3.040 4.588 . 0 0 "[ . 1 . 2]" 1
346 1 21 TYR QD 1 26 GLU HA 4.014 2.080 5.948 4.044 3.631 4.216 . 0 0 "[ . 1 . 2]" 1
347 1 21 TYR QD 1 26 GLU HB2 4.138 2.109 6.167 6.072 5.749 6.175 0.007 6 0 "[ . 1 . 2]" 1
348 1 21 TYR QD 1 28 SER HA 3.900 2.054 5.745 3.481 3.057 4.413 . 0 0 "[ . 1 . 2]" 1
349 1 21 TYR QD 1 28 SER HB2 3.498 . 5.035 4.160 3.618 4.738 . 0 0 "[ . 1 . 2]" 1
350 1 21 TYR QE 1 23 ASN H 4.115 2.104 6.127 4.800 4.555 5.114 . 0 0 "[ . 1 . 2]" 1
351 1 21 TYR QE 1 23 ASN HA 2.798 . 3.797 2.775 2.284 3.251 . 0 0 "[ . 1 . 2]" 1
352 1 21 TYR QE 1 23 ASN HB2 3.565 . 5.154 4.913 4.610 5.157 0.003 6 0 "[ . 1 . 2]" 1
353 1 21 TYR QE 1 23 ASN HB3 3.342 . 4.759 4.166 3.867 4.442 . 0 0 "[ . 1 . 2]" 1
354 1 21 TYR QE 1 26 GLU H 4.094 2.099 6.089 4.635 4.398 4.952 . 0 0 "[ . 1 . 2]" 1
355 1 21 TYR QE 1 26 GLU HA 3.345 . 4.764 2.798 2.312 3.236 . 0 0 "[ . 1 . 2]" 1
356 1 21 TYR QE 1 26 GLU HB2 3.605 . 5.225 4.349 4.052 4.785 . 0 0 "[ . 1 . 2]" 1
357 1 21 TYR QE 1 26 GLU HB3 3.815 2.034 5.596 2.905 2.522 3.291 . 0 0 "[ . 1 . 2]" 1
358 1 21 TYR QE 1 26 GLU HG3 4.257 2.145 6.377 4.442 2.470 5.154 . 0 0 "[ . 1 . 2]" 1
359 1 22 ASN H 1 28 SER HA 3.558 . 5.142 3.583 3.239 3.929 . 0 0 "[ . 1 . 2]" 1
360 1 22 ASN HA 1 23 ASN H 2.160 . 2.668 2.156 2.115 2.205 . 0 0 "[ . 1 . 2]" 1
361 1 22 ASN HB2 1 23 ASN H 3.774 2.025 5.523 4.165 4.066 4.230 . 0 0 "[ . 1 . 2]" 1
362 1 22 ASN HB2 1 25 THR H 3.603 . 5.220 4.777 4.579 5.140 . 0 0 "[ . 1 . 2]" 1
363 1 22 ASN HB2 1 27 GLU H 3.079 . 4.294 4.245 4.123 4.302 0.007 4 0 "[ . 1 . 2]" 1
364 1 22 ASN HB2 1 27 GLU HG3 2.727 . 3.670 3.258 2.756 3.671 0.000 5 0 "[ . 1 . 2]" 1
365 1 22 ASN HB3 1 23 ASN H 3.948 2.065 5.831 4.133 4.007 4.258 . 0 0 "[ . 1 . 2]" 1
366 1 22 ASN HB3 1 25 THR H 4.153 2.112 6.193 3.421 3.172 3.880 . 0 0 "[ . 1 . 2]" 1
367 1 22 ASN HB3 1 26 GLU H 4.122 2.105 6.140 3.809 3.124 4.327 . 0 0 "[ . 1 . 2]" 1
368 1 22 ASN HB3 1 27 GLU H 3.688 2.005 5.372 2.628 2.444 2.781 . 0 0 "[ . 1 . 2]" 1
369 1 22 ASN HD21 1 24 ARG HH21 3.969 2.070 5.868 4.198 3.189 5.871 0.004 19 0 "[ . 1 . 2]" 1
370 1 22 ASN HD21 1 25 THR H 4.132 2.107 6.156 5.192 4.893 5.602 . 0 0 "[ . 1 . 2]" 1
371 1 22 ASN HD21 1 25 THR MG 4.026 2.083 5.970 5.779 5.123 5.983 0.013 12 0 "[ . 1 . 2]" 1
372 1 23 ASN H 1 24 ARG H 2.485 . 3.243 2.585 2.461 2.728 . 0 0 "[ . 1 . 2]" 1
373 1 23 ASN H 1 25 THR H 3.935 2.062 5.808 4.558 4.231 4.985 . 0 0 "[ . 1 . 2]" 1
374 1 23 ASN HA 1 24 ARG H 3.345 . 4.764 3.368 3.228 3.509 . 0 0 "[ . 1 . 2]" 1
375 1 23 ASN HA 1 25 THR H 3.569 . 5.161 4.571 3.853 5.107 . 0 0 "[ . 1 . 2]" 1
376 1 23 ASN HA 1 26 GLU HB3 3.962 2.068 5.855 5.581 5.024 5.864 0.008 12 0 "[ . 1 . 2]" 1
377 1 23 ASN HB2 1 24 ARG H 3.563 . 5.149 3.443 2.983 3.758 . 0 0 "[ . 1 . 2]" 1
378 1 23 ASN HB3 1 24 ARG H 3.340 . 4.755 4.124 3.752 4.335 . 0 0 "[ . 1 . 2]" 1
379 1 23 ASN HD21 1 24 ARG H 4.082 2.096 6.067 4.792 4.447 5.253 . 0 0 "[ . 1 . 2]" 1
380 1 23 ASN HD22 1 24 ARG H 4.153 2.112 6.193 6.118 5.919 6.205 0.011 6 0 "[ . 1 . 2]" 1
381 1 24 ARG H 1 25 THR H 2.599 . 3.444 2.422 1.995 2.889 . 0 0 "[ . 1 . 2]" 1
382 1 24 ARG H 1 26 GLU H 3.524 . 5.081 3.349 3.073 3.708 . 0 0 "[ . 1 . 2]" 1
383 1 24 ARG HA 1 25 THR H 3.487 . 5.016 3.521 3.410 3.584 . 0 0 "[ . 1 . 2]" 1
384 1 24 ARG HB2 1 25 THR H 3.028 . 4.204 2.534 2.120 3.224 . 0 0 "[ . 1 . 2]" 1
385 1 24 ARG HB2 1 25 THR MG 3.814 2.034 5.594 3.020 2.292 3.475 . 0 0 "[ . 1 . 2]" 1
386 1 24 ARG HB3 1 25 THR H 3.335 . 4.747 3.475 3.034 3.987 . 0 0 "[ . 1 . 2]" 1
387 1 24 ARG HB3 1 25 THR MG 4.025 2.083 5.967 3.234 2.735 3.747 . 0 0 "[ . 1 . 2]" 1
388 1 24 ARG HE 1 25 THR MG 4.216 2.127 6.306 4.071 2.650 5.492 . 0 0 "[ . 1 . 2]" 1
389 1 24 ARG HG2 1 25 THR H 3.975 2.071 5.880 4.916 4.659 5.173 . 0 0 "[ . 1 . 2]" 1
390 1 24 ARG HG3 1 25 THR H 3.861 2.045 5.677 4.308 3.737 4.810 . 0 0 "[ . 1 . 2]" 1
391 1 24 ARG HH21 1 25 THR MG 3.918 2.058 5.777 4.524 3.455 5.285 . 0 0 "[ . 1 . 2]" 1
392 1 25 THR H 1 26 GLU HA 3.569 . 5.161 4.365 3.986 4.632 . 0 0 "[ . 1 . 2]" 1
393 1 25 THR H 1 27 GLU H 3.768 2.023 5.513 3.650 3.109 4.839 . 0 0 "[ . 1 . 2]" 1
394 1 25 THR HA 1 26 GLU H 3.506 . 5.049 3.309 3.179 3.406 . 0 0 "[ . 1 . 2]" 1
395 1 25 THR HA 1 26 GLU HG2 4.040 2.086 5.994 5.578 5.357 5.888 . 0 0 "[ . 1 . 2]" 1
396 1 25 THR HA 1 26 GLU HG3 3.991 2.075 5.907 4.479 3.746 5.912 0.005 12 0 "[ . 1 . 2]" 1
397 1 25 THR HB 1 26 GLU H 3.382 . 4.831 4.095 3.829 4.393 . 0 0 "[ . 1 . 2]" 1
398 1 25 THR HB 1 27 GLU H 3.365 . 4.799 4.047 3.643 4.806 0.007 6 0 "[ . 1 . 2]" 1
399 1 25 THR MG 1 26 GLU H 4.111 2.103 6.120 4.236 4.063 4.323 . 0 0 "[ . 1 . 2]" 1
400 1 25 THR MG 1 27 GLU H 4.146 2.111 6.182 4.798 4.506 5.504 . 0 0 "[ . 1 . 2]" 1
401 1 26 GLU H 1 27 GLU H 3.007 . 4.166 2.685 2.560 3.021 . 0 0 "[ . 1 . 2]" 1
402 1 26 GLU HA 1 27 GLU H 3.370 . 4.808 2.782 2.287 2.928 . 0 0 "[ . 1 . 2]" 1
403 1 26 GLU HB2 1 27 GLU H 3.182 . 4.475 4.240 4.119 4.454 . 0 0 "[ . 1 . 2]" 1
404 1 26 GLU HB3 1 27 GLU H 3.691 2.006 5.376 4.421 4.184 4.477 . 0 0 "[ . 1 . 2]" 1
405 1 26 GLU HG2 1 27 GLU H 4.055 2.090 6.021 5.381 4.789 6.026 0.004 4 0 "[ . 1 . 2]" 1
406 1 26 GLU HG3 1 27 GLU H 3.576 . 5.172 5.045 4.912 5.174 0.002 17 0 "[ . 1 . 2]" 1
407 1 27 GLU HA 1 28 SER H 2.085 . 2.585 2.178 2.096 2.291 . 0 0 "[ . 1 . 2]" 1
408 1 27 GLU HA 1 28 SER HB2 3.818 2.035 5.601 5.307 4.647 5.612 0.011 19 0 "[ . 1 . 2]" 1
409 1 27 GLU HB2 1 28 SER H 3.218 . 4.539 3.083 2.771 3.397 . 0 0 "[ . 1 . 2]" 1
410 1 27 GLU HB3 1 28 SER H 3.524 . 5.081 4.130 3.995 4.251 . 0 0 "[ . 1 . 2]" 1
411 1 27 GLU HG2 1 28 SER H 3.616 . 5.244 4.972 4.794 5.126 . 0 0 "[ . 1 . 2]" 1
412 1 27 GLU HG3 1 28 SER H 3.612 . 5.237 4.155 3.797 4.533 . 0 0 "[ . 1 . 2]" 1
413 1 28 SER HA 1 29 THR H 2.627 . 3.494 2.146 2.129 2.163 . 0 0 "[ . 1 . 2]" 1
414 1 28 SER HA 1 29 THR MG 4.191 2.121 6.260 3.796 3.625 4.073 . 0 0 "[ . 1 . 2]" 1
415 1 28 SER HB2 1 29 THR H 3.092 . 4.317 3.772 3.375 4.297 . 0 0 "[ . 1 . 2]" 1
416 1 29 THR HA 1 30 TRP H 2.263 . 2.850 2.274 2.247 2.294 . 0 0 "[ . 1 . 2]" 1
417 1 29 THR HA 1 31 GLU H 3.507 . 5.052 3.727 3.618 3.883 . 0 0 "[ . 1 . 2]" 1
418 1 29 THR HB 1 31 GLU H 3.674 2.002 5.347 4.035 3.922 4.347 . 0 0 "[ . 1 . 2]" 1
419 1 29 THR MG 1 30 TRP H 4.014 2.080 5.948 3.613 3.366 3.731 . 0 0 "[ . 1 . 2]" 1
420 1 29 THR MG 1 31 GLU H 3.575 . 5.171 2.436 2.241 2.662 . 0 0 "[ . 1 . 2]" 1
421 1 29 THR MG 1 31 GLU HA 4.300 2.146 6.453 4.346 4.125 4.546 . 0 0 "[ . 1 . 2]" 1
422 1 29 THR MG 1 31 GLU HB2 4.151 2.112 6.190 3.854 3.316 4.407 . 0 0 "[ . 1 . 2]" 1
423 1 29 THR MG 1 31 GLU HG2 4.260 2.137 6.384 4.550 3.796 5.369 . 0 0 "[ . 1 . 2]" 1
424 1 29 THR MG 1 32 LYS HA 3.680 2.003 5.358 4.679 4.321 5.268 . 0 0 "[ . 1 . 2]" 1
425 1 29 THR MG 1 33 PRO HD3 4.200 2.123 6.277 4.041 3.241 5.175 . 0 0 "[ . 1 . 2]" 1
426 1 29 THR MG 1 33 PRO HG3 4.144 2.110 6.178 4.230 2.950 5.330 . 0 0 "[ . 1 . 2]" 1
427 1 30 TRP H 1 31 GLU H 2.611 . 3.466 2.421 2.279 2.535 . 0 0 "[ . 1 . 2]" 1
428 1 30 TRP HA 1 31 GLU H 3.544 . 5.117 3.263 3.166 3.357 . 0 0 "[ . 1 . 2]" 1
429 1 30 TRP HB2 1 31 GLU H 3.834 2.039 5.629 3.534 3.311 3.709 . 0 0 "[ . 1 . 2]" 1
430 1 30 TRP HB3 1 31 GLU H 3.571 . 5.164 4.243 4.102 4.354 . 0 0 "[ . 1 . 2]" 1
431 1 31 GLU HA 1 32 LYS H 1.806 . 2.306 2.201 2.126 2.290 . 0 0 "[ . 1 . 2]" 1
432 1 31 GLU HB2 1 32 LYS H 3.333 . 4.743 4.184 3.997 4.394 . 0 0 "[ . 1 . 2]" 1
433 1 31 GLU HB3 1 32 LYS H 3.603 . 5.221 4.010 3.772 4.254 . 0 0 "[ . 1 . 2]" 1
434 1 31 GLU HG2 1 32 LYS H 3.267 . 4.626 3.684 2.784 4.626 . 0 0 "[ . 1 . 2]" 1
435 1 32 LYS HA 1 33 PRO HD3 2.793 . 3.787 2.071 1.790 2.722 0.008 18 0 "[ . 1 . 2]" 1
436 1 32 LYS HA 1 36 LEU MD2 4.065 2.092 6.038 4.584 3.779 5.664 . 0 0 "[ . 1 . 2]" 1
437 1 32 LYS HB2 1 33 PRO HD2 4.312 2.149 6.475 4.322 3.820 4.777 . 0 0 "[ . 1 . 2]" 1
438 1 32 LYS HB2 1 36 LEU MD2 4.509 2.194 6.823 5.894 4.403 6.824 0.001 5 0 "[ . 1 . 2]" 1
439 1 32 LYS HB2 1 37 LYS HA 3.823 2.036 5.610 5.114 4.332 5.615 0.005 16 0 "[ . 1 . 2]" 1
440 1 32 LYS HE2 1 36 LEU MD2 4.473 2.186 6.761 4.984 2.880 6.213 . 0 0 "[ . 1 . 2]" 1
441 1 32 LYS HE2 1 36 LEU HG 3.808 2.033 5.583 4.654 2.580 5.587 0.004 3 0 "[ . 1 . 2]" 1
442 1 32 LYS HG2 1 36 LEU HB3 3.480 . 5.003 3.806 2.262 5.005 0.002 2 0 "[ . 1 . 2]" 1
443 1 32 LYS HG2 1 36 LEU MD2 3.964 2.069 5.859 4.479 3.104 5.858 . 0 0 "[ . 1 . 2]" 1
444 1 32 LYS HG2 1 36 LEU HG 3.785 2.027 5.543 4.431 3.321 5.547 0.004 2 0 "[ . 1 . 2]" 1
445 1 32 LYS HG3 1 33 PRO HD2 3.843 2.041 5.646 2.703 2.097 3.277 . 0 0 "[ . 1 . 2]" 1
446 1 32 LYS HG3 1 33 PRO HD3 3.689 2.005 5.373 3.653 2.914 4.573 . 0 0 "[ . 1 . 2]" 1
447 1 32 LYS HG3 1 36 LEU HB3 3.795 2.030 5.560 4.104 2.818 5.222 . 0 0 "[ . 1 . 2]" 1
448 1 32 LYS HG3 1 36 LEU MD2 4.285 2.143 6.427 3.898 2.144 4.833 . 0 0 "[ . 1 . 2]" 1
449 1 32 LYS HG3 1 36 LEU HG 4.054 2.089 6.019 4.296 3.333 5.382 . 0 0 "[ . 1 . 2]" 1
450 1 33 PRO HA 1 34 GLN H 1.750 . 2.250 2.215 2.111 2.256 0.006 1 0 "[ . 1 . 2]" 1
451 1 33 PRO HA 1 35 GLU H 3.703 2.008 5.397 4.012 3.722 4.259 . 0 0 "[ . 1 . 2]" 1
452 1 33 PRO HB2 1 34 GLN H 3.301 . 4.686 3.370 2.780 3.666 . 0 0 "[ . 1 . 2]" 1
453 1 33 PRO HB2 1 35 GLU H 3.620 . 5.250 2.929 2.425 3.462 . 0 0 "[ . 1 . 2]" 1
454 1 33 PRO HB2 1 35 GLU HG2 3.755 2.020 5.489 3.319 2.021 4.803 . 0 0 "[ . 1 . 2]" 1
455 1 33 PRO HB3 1 34 GLN H 3.421 . 4.898 3.245 2.971 3.607 . 0 0 "[ . 1 . 2]" 1
456 1 33 PRO HB3 1 35 GLU H 3.392 . 4.847 3.609 3.239 4.089 . 0 0 "[ . 1 . 2]" 1
457 1 33 PRO HB3 1 35 GLU HB3 4.017 2.081 5.953 5.520 3.280 5.959 0.006 8 0 "[ . 1 . 2]" 1
458 1 33 PRO HB3 1 35 GLU HG2 3.785 2.027 5.542 3.851 2.893 5.550 0.007 2 0 "[ . 1 . 2]" 1
459 1 33 PRO HB3 1 36 LEU H 3.560 . 5.144 4.205 3.731 5.029 . 0 0 "[ . 1 . 2]" 1
460 1 33 PRO HD2 1 36 LEU MD2 4.087 2.097 6.076 2.932 2.204 4.441 . 0 0 "[ . 1 . 2]" 1
461 1 33 PRO HD3 1 36 LEU HB3 4.010 2.079 5.940 4.136 3.555 5.023 . 0 0 "[ . 1 . 2]" 1
462 1 33 PRO HD3 1 36 LEU MD2 3.759 2.021 5.497 3.865 3.078 5.411 . 0 0 "[ . 1 . 2]" 1
463 1 33 PRO HG2 1 34 GLN H 4.239 2.132 6.346 5.243 4.547 5.480 . 0 0 "[ . 1 . 2]" 1
464 1 33 PRO HG2 1 36 LEU H 4.135 2.108 6.162 4.216 2.826 4.825 . 0 0 "[ . 1 . 2]" 1
465 1 33 PRO HG2 1 36 LEU HB2 3.492 . 5.024 3.093 2.170 3.863 . 0 0 "[ . 1 . 2]" 1
466 1 33 PRO HG2 1 36 LEU HB3 4.135 2.108 6.161 2.419 2.097 3.061 0.011 2 0 "[ . 1 . 2]" 1
467 1 33 PRO HG2 1 36 LEU MD2 4.177 2.118 6.237 2.567 2.114 3.524 0.004 3 0 "[ . 1 . 2]" 1
468 1 33 PRO HG3 1 34 GLN H 4.137 2.109 6.166 5.080 4.786 5.490 . 0 0 "[ . 1 . 2]" 1
469 1 33 PRO HG3 1 36 LEU MD2 4.366 2.161 6.571 3.711 3.214 4.861 . 0 0 "[ . 1 . 2]" 1
470 1 34 GLN H 1 35 GLU H 2.974 . 4.109 2.543 2.229 2.745 . 0 0 "[ . 1 . 2]" 1
471 1 34 GLN HA 1 35 GLU H 2.876 . 3.934 3.476 3.428 3.516 . 0 0 "[ . 1 . 2]" 1
472 1 34 GLN HA 1 36 LEU H 3.827 2.037 5.617 3.702 3.428 4.160 . 0 0 "[ . 1 . 2]" 1
473 1 34 GLN HA 1 37 LYS H 3.727 2.014 5.440 3.947 3.343 4.558 . 0 0 "[ . 1 . 2]" 1
474 1 34 GLN HA 1 37 LYS HB3 3.924 2.059 5.788 3.202 2.579 5.036 . 0 0 "[ . 1 . 2]" 1
475 1 34 GLN HA 1 37 LYS HD2 3.582 . 5.184 3.845 1.978 5.184 0.002 1 0 "[ . 1 . 2]" 1
476 1 34 GLN HA 1 37 LYS HG2 4.204 2.124 6.284 3.472 2.475 5.846 . 0 0 "[ . 1 . 2]" 1
477 1 34 GLN HA 1 37 LYS HG3 4.015 2.080 5.949 4.499 2.094 5.382 . 0 0 "[ . 1 . 2]" 1
478 1 34 GLN HB2 1 35 GLU H 2.756 . 3.722 3.733 3.601 3.748 0.026 15 0 "[ . 1 . 2]" 1
479 1 34 GLN HG2 1 35 GLU H 3.576 . 5.172 4.463 3.583 5.176 0.004 13 0 "[ . 1 . 2]" 1
480 1 35 GLU H 1 36 LEU H 3.032 . 4.210 2.586 2.407 2.750 . 0 0 "[ . 1 . 2]" 1
481 1 35 GLU HA 1 36 LEU H 3.125 . 4.374 3.268 3.171 3.529 . 0 0 "[ . 1 . 2]" 1
482 1 35 GLU HA 1 37 LYS H 3.822 2.036 5.607 4.060 3.695 4.920 . 0 0 "[ . 1 . 2]" 1
483 1 35 GLU HB2 1 36 LEU H 3.853 2.043 5.663 4.214 3.510 4.362 . 0 0 "[ . 1 . 2]" 1
484 1 35 GLU HB2 1 36 LEU MD2 4.365 2.161 6.569 6.184 4.866 6.575 0.006 4 0 "[ . 1 . 2]" 1
485 1 35 GLU HB3 1 36 LEU H 3.763 2.022 5.503 4.325 2.904 4.575 . 0 0 "[ . 1 . 2]" 1
486 1 35 GLU HG2 1 36 LEU H 3.619 . 5.249 3.763 2.633 5.073 . 0 0 "[ . 1 . 2]" 1
487 1 35 GLU HG2 1 36 LEU HB2 3.630 . 5.268 3.916 2.422 5.280 0.012 5 0 "[ . 1 . 2]" 1
488 1 36 LEU H 1 37 LYS H 2.425 . 3.136 2.256 1.919 3.142 0.006 2 0 "[ . 1 . 2]" 1
489 1 36 LEU HA 1 37 LYS H 2.761 . 3.731 2.984 2.393 3.483 . 0 0 "[ . 1 . 2]" 1
490 1 36 LEU HB3 1 37 LYS H 3.563 . 5.149 3.922 3.128 4.441 . 0 0 "[ . 1 . 2]" 1
491 1 36 LEU MD1 1 37 LYS H 4.312 2.149 6.475 4.479 3.711 4.707 . 0 0 "[ . 1 . 2]" 1
492 1 36 LEU MD2 1 37 LYS H 4.412 2.172 6.653 5.387 4.890 5.501 . 0 0 "[ . 1 . 2]" 1
493 1 36 LEU HG 1 37 LYS H 3.549 . 5.126 4.700 4.381 4.837 . 0 0 "[ . 1 . 2]" 1
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