NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596256 |
2n4w   |
25683 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n4w
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 507
_Distance_constraint_stats_list.Viol_count 179
_Distance_constraint_stats_list.Viol_total 21.373
_Distance_constraint_stats_list.Viol_max 0.127
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0060
_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 0.248 0.127 1 0 "[ . 1 . 2]"
1 2 ALA 0.257 0.127 1 0 "[ . 1 . 2]"
1 3 THR 0.036 0.011 5 0 "[ . 1 . 2]"
1 4 ALA 0.028 0.011 5 0 "[ . 1 . 2]"
1 5 VAL 0.031 0.007 5 0 "[ . 1 . 2]"
1 6 SER 0.023 0.005 6 0 "[ . 1 . 2]"
1 7 GLU 0.062 0.015 2 0 "[ . 1 . 2]"
1 8 TRP 0.142 0.015 2 0 "[ . 1 . 2]"
1 9 THR 0.000 0.000 1 0 "[ . 1 . 2]"
1 10 GLU 0.141 0.017 11 0 "[ . 1 . 2]"
1 11 TYR 0.027 0.008 1 0 "[ . 1 . 2]"
1 12 LYS 0.006 0.004 12 0 "[ . 1 . 2]"
1 13 THR 0.009 0.006 10 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 0.004 0.004 12 0 "[ . 1 . 2]"
1 17 LYS 0.007 0.004 15 0 "[ . 1 . 2]"
1 18 THR 0.092 0.013 8 0 "[ . 1 . 2]"
1 19 TYR 0.013 0.006 10 0 "[ . 1 . 2]"
1 20 TYR 0.093 0.017 11 0 "[ . 1 . 2]"
1 21 TYR 0.064 0.008 1 0 "[ . 1 . 2]"
1 22 ASN 0.009 0.003 2 0 "[ . 1 . 2]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 0.040 0.010 6 0 "[ . 1 . 2]"
1 25 THR 0.034 0.009 12 0 "[ . 1 . 2]"
1 26 LEU 0.030 0.010 6 0 "[ . 1 . 2]"
1 27 GLU 0.035 0.009 12 0 "[ . 1 . 2]"
1 28 SER 0.030 0.008 7 0 "[ . 1 . 2]"
1 29 TYR 0.128 0.011 4 0 "[ . 1 . 2]"
1 30 TRP 0.018 0.004 15 0 "[ . 1 . 2]"
1 31 GLU 0.084 0.017 4 0 "[ . 1 . 2]"
1 32 LYS 0.207 0.017 4 0 "[ . 1 . 2]"
1 33 PRO 0.038 0.008 14 0 "[ . 1 . 2]"
1 34 GLN 0.021 0.013 16 0 "[ . 1 . 2]"
1 35 GLU 0.040 0.007 5 0 "[ . 1 . 2]"
1 36 LEU 0.107 0.008 14 0 "[ . 1 . 2]"
1 37 LYS 0.035 0.013 16 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 4.842 2.271 7.413 2.781 2.145 3.570 0.127 1 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 3 THR H 4.014 2.080 5.948 2.651 2.125 3.570 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 3 THR H 4.780 2.257 7.303 3.055 2.251 3.702 0.006 10 0 "[ . 1 . 2]" 1
4 1 3 THR HA 1 4 ALA H 4.563 2.207 6.919 2.967 2.196 3.581 0.011 5 0 "[ . 1 . 2]" 1
5 1 3 THR HB 1 4 ALA H 4.918 2.289 7.547 3.723 2.340 4.545 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR MG 1 4 ALA H 4.611 2.218 7.004 3.547 2.611 4.392 . 0 0 "[ . 1 . 2]" 1
7 1 4 ALA H 1 5 VAL H 4.745 2.249 7.240 3.823 2.248 4.564 0.001 20 0 "[ . 1 . 2]" 1
8 1 4 ALA HA 1 5 VAL H 3.996 2.076 5.915 2.448 2.126 3.537 . 0 0 "[ . 1 . 2]" 1
9 1 4 ALA HA 1 5 VAL MG1 4.882 2.280 7.483 4.711 3.496 6.124 . 0 0 "[ . 1 . 2]" 1
10 1 4 ALA MB 1 5 VAL H 4.720 2.243 7.196 3.070 2.298 3.663 . 0 0 "[ . 1 . 2]" 1
11 1 5 VAL H 1 6 SER H 4.816 2.265 7.366 3.936 2.264 4.575 0.001 5 0 "[ . 1 . 2]" 1
12 1 5 VAL HA 1 6 SER H 4.310 2.148 6.472 2.444 2.143 3.596 0.005 6 0 "[ . 1 . 2]" 1
13 1 5 VAL HB 1 6 SER H 4.848 2.273 7.424 3.894 2.268 4.439 0.005 4 0 "[ . 1 . 2]" 1
14 1 5 VAL MG1 1 6 SER H 4.897 2.284 7.510 3.636 2.485 4.236 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL MG2 1 6 SER H 4.861 2.276 7.446 3.634 2.479 4.350 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL MG2 1 6 SER HA 4.977 2.302 7.651 4.767 3.571 5.680 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL MG2 1 35 GLU HB2 4.896 2.284 7.508 6.028 2.283 7.515 0.007 5 0 "[ . 1 . 2]" 1
18 1 6 SER HA 1 7 GLU H 4.330 2.153 6.507 3.141 2.328 3.484 . 0 0 "[ . 1 . 2]" 1
19 1 6 SER HB2 1 7 GLU H 4.885 2.281 7.490 4.047 3.451 4.516 . 0 0 "[ . 1 . 2]" 1
20 1 6 SER HB2 1 8 TRP H 4.776 2.256 7.296 5.330 4.667 6.260 . 0 0 "[ . 1 . 2]" 1
21 1 6 SER HB3 1 7 GLU H 4.495 2.191 6.799 3.951 2.836 4.525 . 0 0 "[ . 1 . 2]" 1
22 1 6 SER HB3 1 8 TRP H 4.717 2.242 7.191 5.181 3.728 6.023 . 0 0 "[ . 1 . 2]" 1
23 1 7 GLU H 1 8 TRP H 4.670 2.232 7.109 2.650 2.222 4.191 0.010 13 0 "[ . 1 . 2]" 1
24 1 7 GLU H 1 8 TRP HD1 4.926 2.291 7.562 3.966 3.105 4.777 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLU HA 1 8 TRP H 4.540 2.201 6.878 3.183 2.196 3.428 0.005 10 0 "[ . 1 . 2]" 1
26 1 7 GLU HA 1 23 ASN HD21 4.789 2.259 7.319 3.544 2.640 5.097 . 0 0 "[ . 1 . 2]" 1
27 1 7 GLU HA 1 23 ASN HD22 4.621 2.220 7.021 4.756 3.823 5.765 . 0 0 "[ . 1 . 2]" 1
28 1 7 GLU HB2 1 8 TRP H 4.290 2.144 6.436 3.741 2.989 4.464 . 0 0 "[ . 1 . 2]" 1
29 1 7 GLU HB2 1 8 TRP HB2 4.977 2.302 7.651 5.560 4.447 6.365 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLU HB2 1 8 TRP HD1 4.143 2.110 6.176 4.509 3.314 5.949 . 0 0 "[ . 1 . 2]" 1
31 1 7 GLU HB2 1 8 TRP HE1 4.646 2.226 7.066 5.203 3.771 6.401 . 0 0 "[ . 1 . 2]" 1
32 1 7 GLU HB2 1 22 ASN HD21 4.764 2.253 7.275 4.961 3.588 7.277 0.002 11 0 "[ . 1 . 2]" 1
33 1 7 GLU HB2 1 22 ASN HD22 4.230 2.130 6.330 4.342 2.472 6.305 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLU HB2 1 23 ASN H 4.628 2.222 7.035 4.416 2.474 5.658 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLU HB2 1 24 ARG HD2 4.802 2.262 7.342 5.580 4.153 7.345 0.003 18 0 "[ . 1 . 2]" 1
36 1 7 GLU HB2 1 24 ARG HD3 4.865 2.276 7.453 5.992 4.196 7.457 0.004 19 0 "[ . 1 . 2]" 1
37 1 7 GLU HB3 1 8 TRP H 4.252 2.135 6.368 3.995 3.104 4.403 . 0 0 "[ . 1 . 2]" 1
38 1 7 GLU HB3 1 8 TRP HB2 4.962 2.299 7.625 5.915 4.541 6.728 . 0 0 "[ . 1 . 2]" 1
39 1 7 GLU HB3 1 8 TRP HD1 4.023 2.082 5.964 5.023 3.060 5.975 0.011 10 0 "[ . 1 . 2]" 1
40 1 7 GLU HB3 1 22 ASN HB2 4.841 2.271 7.410 6.140 4.987 7.331 . 0 0 "[ . 1 . 2]" 1
41 1 7 GLU HB3 1 22 ASN HD21 4.709 2.240 7.177 5.017 3.358 7.091 . 0 0 "[ . 1 . 2]" 1
42 1 7 GLU HB3 1 22 ASN HD22 4.141 2.110 6.173 4.376 2.684 6.176 0.003 2 0 "[ . 1 . 2]" 1
43 1 7 GLU HB3 1 23 ASN H 4.525 2.198 6.852 4.101 2.805 5.536 . 0 0 "[ . 1 . 2]" 1
44 1 7 GLU HG2 1 8 TRP H 4.648 2.226 7.069 4.691 2.991 5.725 . 0 0 "[ . 1 . 2]" 1
45 1 7 GLU HG3 1 8 TRP H 4.509 2.194 6.823 4.711 3.055 5.883 . 0 0 "[ . 1 . 2]" 1
46 1 7 GLU HG3 1 8 TRP HD1 4.610 2.218 7.003 5.477 3.543 7.018 0.015 2 0 "[ . 1 . 2]" 1
47 1 8 TRP H 1 9 THR H 4.939 2.294 7.584 4.241 4.054 4.407 . 0 0 "[ . 1 . 2]" 1
48 1 8 TRP HA 1 9 THR H 3.927 2.060 5.794 2.144 2.098 2.181 . 0 0 "[ . 1 . 2]" 1
49 1 8 TRP HA 1 9 THR HB 4.891 2.283 7.499 4.738 4.598 4.829 . 0 0 "[ . 1 . 2]" 1
50 1 8 TRP HA 1 22 ASN HA 4.748 2.249 7.246 2.799 2.358 3.346 . 0 0 "[ . 1 . 2]" 1
51 1 8 TRP HA 1 23 ASN H 4.584 2.212 6.956 3.920 3.439 4.747 . 0 0 "[ . 1 . 2]" 1
52 1 8 TRP HB2 1 9 THR H 4.459 2.183 6.735 4.377 4.222 4.511 . 0 0 "[ . 1 . 2]" 1
53 1 8 TRP HB3 1 9 THR H 4.487 2.189 6.785 3.591 3.442 3.782 . 0 0 "[ . 1 . 2]" 1
54 1 8 TRP HB3 1 20 TYR QD 4.473 2.186 6.760 3.442 2.575 4.299 . 0 0 "[ . 1 . 2]" 1
55 1 8 TRP HD1 1 33 PRO HG2 4.632 2.223 7.042 5.240 4.200 6.510 . 0 0 "[ . 1 . 2]" 1
56 1 8 TRP HD1 1 35 GLU HB2 4.992 2.306 7.678 5.610 3.012 7.684 0.006 7 0 "[ . 1 . 2]" 1
57 1 8 TRP HD1 1 35 GLU HB3 4.705 2.240 7.170 5.592 3.511 7.175 0.005 3 0 "[ . 1 . 2]" 1
58 1 8 TRP HD1 1 35 GLU HG2 4.781 2.257 7.305 5.976 4.133 7.309 0.004 14 0 "[ . 1 . 2]" 1
59 1 8 TRP HD1 1 36 LEU MD1 4.785 2.258 7.313 3.465 2.641 4.552 . 0 0 "[ . 1 . 2]" 1
60 1 8 TRP HD1 1 36 LEU MD2 4.877 2.279 7.474 4.883 3.466 6.291 . 0 0 "[ . 1 . 2]" 1
61 1 8 TRP HD1 1 36 LEU HG 4.823 2.267 7.379 6.306 5.312 7.382 0.003 2 0 "[ . 1 . 2]" 1
62 1 8 TRP HE1 1 22 ASN HD22 4.505 2.193 6.816 4.345 3.260 6.138 . 0 0 "[ . 1 . 2]" 1
63 1 8 TRP HE1 1 33 PRO HB2 5.030 2.315 7.745 4.712 3.450 6.219 . 0 0 "[ . 1 . 2]" 1
64 1 8 TRP HE1 1 33 PRO HB3 4.908 2.286 7.530 5.571 4.192 7.322 . 0 0 "[ . 1 . 2]" 1
65 1 8 TRP HE1 1 35 GLU HB3 4.920 2.289 7.551 3.957 2.629 5.986 . 0 0 "[ . 1 . 2]" 1
66 1 8 TRP HE1 1 35 GLU HG2 4.855 2.274 7.436 4.063 2.837 5.414 . 0 0 "[ . 1 . 2]" 1
67 1 8 TRP HE1 1 35 GLU HG3 4.952 2.297 7.608 4.328 2.631 5.337 . 0 0 "[ . 1 . 2]" 1
68 1 8 TRP HE1 1 36 LEU MD1 5.178 2.349 8.008 4.919 3.970 6.063 . 0 0 "[ . 1 . 2]" 1
69 1 8 TRP HE1 1 36 LEU MD2 5.119 2.335 7.902 5.824 4.909 7.068 . 0 0 "[ . 1 . 2]" 1
70 1 8 TRP HE3 1 9 THR H 4.821 2.266 7.376 3.906 3.282 4.500 . 0 0 "[ . 1 . 2]" 1
71 1 8 TRP HE3 1 20 TYR HB2 4.283 2.142 6.424 3.516 2.845 4.217 . 0 0 "[ . 1 . 2]" 1
72 1 8 TRP HE3 1 20 TYR HB3 4.617 2.219 7.015 2.478 2.214 3.283 0.006 16 0 "[ . 1 . 2]" 1
73 1 8 TRP HE3 1 22 ASN HA 4.714 2.242 7.186 3.678 3.172 4.213 . 0 0 "[ . 1 . 2]" 1
74 1 8 TRP HE3 1 22 ASN HB3 4.551 2.204 6.898 4.847 4.087 5.254 . 0 0 "[ . 1 . 2]" 1
75 1 8 TRP HE3 1 28 SER HA 4.622 2.220 7.023 5.865 5.185 6.499 . 0 0 "[ . 1 . 2]" 1
76 1 8 TRP HE3 1 29 TYR H 4.580 2.211 6.949 5.130 4.653 5.671 . 0 0 "[ . 1 . 2]" 1
77 1 8 TRP HE3 1 33 PRO HG2 4.765 2.254 7.277 4.709 4.157 5.296 . 0 0 "[ . 1 . 2]" 1
78 1 8 TRP HE3 1 36 LEU MD1 4.950 2.296 7.604 5.252 3.762 6.233 . 0 0 "[ . 1 . 2]" 1
79 1 8 TRP HE3 1 36 LEU MD2 5.038 2.317 7.760 4.519 3.362 5.487 . 0 0 "[ . 1 . 2]" 1
80 1 8 TRP HH2 1 20 TYR HB2 4.502 2.193 6.811 5.784 4.617 6.809 . 0 0 "[ . 1 . 2]" 1
81 1 8 TRP HH2 1 22 ASN HB2 4.347 2.157 6.537 3.392 2.868 3.767 . 0 0 "[ . 1 . 2]" 1
82 1 8 TRP HH2 1 22 ASN HB3 4.539 2.201 6.877 4.369 3.812 5.085 . 0 0 "[ . 1 . 2]" 1
83 1 8 TRP HH2 1 29 TYR HB2 4.889 2.282 7.496 4.732 3.563 6.295 . 0 0 "[ . 1 . 2]" 1
84 1 8 TRP HH2 1 29 TYR QD 4.293 2.144 6.441 3.062 2.144 4.159 . 9 0 "[ . 1 . 2]" 1
85 1 8 TRP HH2 1 29 TYR QE 4.190 2.121 6.260 2.589 2.117 3.303 0.004 1 0 "[ . 1 . 2]" 1
86 1 8 TRP HH2 1 33 PRO HG2 4.826 2.267 7.384 5.015 3.566 5.766 . 0 0 "[ . 1 . 2]" 1
87 1 8 TRP HZ2 1 33 PRO HB3 4.821 2.266 7.376 3.895 3.048 4.991 . 0 0 "[ . 1 . 2]" 1
88 1 8 TRP HZ3 1 20 TYR HA 4.773 2.255 7.290 5.591 4.345 6.533 . 0 0 "[ . 1 . 2]" 1
89 1 8 TRP HZ3 1 20 TYR HB2 4.801 2.262 7.340 3.708 2.775 4.682 . 0 0 "[ . 1 . 2]" 1
90 1 8 TRP HZ3 1 20 TYR HB3 4.824 2.267 7.381 3.799 2.721 4.665 . 0 0 "[ . 1 . 2]" 1
91 1 8 TRP HZ3 1 21 TYR HA 4.826 2.267 7.384 4.662 3.314 5.589 . 0 0 "[ . 1 . 2]" 1
92 1 8 TRP HZ3 1 22 ASN H 4.868 2.277 7.459 3.850 3.212 4.488 . 0 0 "[ . 1 . 2]" 1
93 1 8 TRP HZ3 1 22 ASN HB2 4.661 2.230 7.093 2.742 2.227 3.396 0.002 8 0 "[ . 1 . 2]" 1
94 1 8 TRP HZ3 1 22 ASN HB3 4.668 2.231 7.105 3.959 3.423 4.626 . 0 0 "[ . 1 . 2]" 1
95 1 8 TRP HZ3 1 27 GLU HB2 4.378 2.164 6.592 4.911 3.778 5.620 . 0 0 "[ . 1 . 2]" 1
96 1 8 TRP HZ3 1 27 GLU HB3 4.418 2.173 6.662 5.493 4.012 6.346 . 0 0 "[ . 1 . 2]" 1
97 1 8 TRP HZ3 1 29 TYR H 5.039 2.317 7.762 3.964 2.884 5.077 . 0 0 "[ . 1 . 2]" 1
98 1 8 TRP HZ3 1 29 TYR QD 3.835 2.039 5.631 2.335 2.031 3.638 0.008 5 0 "[ . 1 . 2]" 1
99 1 9 THR H 1 20 TYR QD 4.739 2.247 7.230 4.847 3.829 5.966 . 0 0 "[ . 1 . 2]" 1
100 1 9 THR H 1 21 TYR H 3.709 2.010 5.409 3.195 2.983 3.425 . 0 0 "[ . 1 . 2]" 1
101 1 9 THR H 1 21 TYR QD 4.861 2.276 7.447 4.546 3.920 5.243 . 0 0 "[ . 1 . 2]" 1
102 1 9 THR H 1 22 ASN HA 4.726 2.244 7.208 3.660 3.205 4.076 . 0 0 "[ . 1 . 2]" 1
103 1 9 THR H 1 23 ASN H 4.870 2.278 7.462 4.400 3.915 5.242 . 0 0 "[ . 1 . 2]" 1
104 1 9 THR HA 1 10 GLU H 3.606 . 5.226 2.165 2.111 2.213 . 0 0 "[ . 1 . 2]" 1
105 1 9 THR HB 1 10 GLU H 4.611 2.218 7.004 4.202 3.956 4.328 . 0 0 "[ . 1 . 2]" 1
106 1 9 THR HB 1 11 TYR QD 4.745 2.249 7.240 4.218 3.515 4.969 . 0 0 "[ . 1 . 2]" 1
107 1 9 THR HB 1 11 TYR QE 4.325 2.152 6.498 2.937 2.151 4.028 0.000 1 0 "[ . 1 . 2]" 1
108 1 9 THR HB 1 21 TYR H 4.579 2.211 6.947 3.666 3.233 4.043 . 0 0 "[ . 1 . 2]" 1
109 1 9 THR HB 1 21 TYR HB2 4.509 2.194 6.824 4.275 3.454 5.445 . 0 0 "[ . 1 . 2]" 1
110 1 9 THR HB 1 21 TYR HB3 4.657 2.229 7.086 2.787 2.250 3.742 . 0 0 "[ . 1 . 2]" 1
111 1 9 THR HB 1 21 TYR QD 4.630 2.222 7.038 3.717 2.702 4.366 . 0 0 "[ . 1 . 2]" 1
112 1 9 THR HB 1 23 ASN HD21 4.665 2.230 7.099 4.902 3.605 6.534 . 0 0 "[ . 1 . 2]" 1
113 1 9 THR HB 1 23 ASN HD22 4.726 2.244 7.208 3.559 2.631 5.014 . 0 0 "[ . 1 . 2]" 1
114 1 9 THR MG 1 10 GLU H 4.471 2.186 6.757 2.849 2.438 3.106 . 0 0 "[ . 1 . 2]" 1
115 1 9 THR MG 1 11 TYR H 4.978 2.303 7.654 4.508 4.232 4.791 . 0 0 "[ . 1 . 2]" 1
116 1 9 THR MG 1 11 TYR QD 4.894 2.283 7.505 3.671 3.391 4.087 . 0 0 "[ . 1 . 2]" 1
117 1 9 THR MG 1 11 TYR QE 4.733 2.246 7.220 3.044 2.687 3.749 . 0 0 "[ . 1 . 2]" 1
118 1 9 THR MG 1 21 TYR H 5.038 2.317 7.760 4.449 4.167 4.668 . 0 0 "[ . 1 . 2]" 1
119 1 9 THR MG 1 21 TYR QD 4.978 2.303 7.654 4.721 3.725 5.363 . 0 0 "[ . 1 . 2]" 1
120 1 9 THR MG 1 23 ASN HD21 5.038 2.317 7.760 5.251 4.401 6.662 . 0 0 "[ . 1 . 2]" 1
121 1 9 THR MG 1 23 ASN HD22 5.073 2.325 7.822 4.019 3.471 5.297 . 0 0 "[ . 1 . 2]" 1
122 1 10 GLU HA 1 11 TYR H 3.858 2.044 5.672 2.136 2.085 2.188 . 0 0 "[ . 1 . 2]" 1
123 1 10 GLU HA 1 11 TYR QD 4.835 2.270 7.400 3.934 3.620 4.440 . 0 0 "[ . 1 . 2]" 1
124 1 10 GLU HA 1 18 THR MG 4.946 2.295 7.597 3.650 3.251 4.535 . 0 0 "[ . 1 . 2]" 1
125 1 10 GLU HA 1 20 TYR HA 4.826 2.267 7.384 2.342 2.251 2.621 0.017 11 0 "[ . 1 . 2]" 1
126 1 10 GLU HA 1 20 TYR QD 4.897 2.284 7.509 3.242 2.627 3.875 . 0 0 "[ . 1 . 2]" 1
127 1 10 GLU HA 1 20 TYR QE 4.552 2.204 6.900 4.356 3.892 5.103 . 0 0 "[ . 1 . 2]" 1
128 1 10 GLU HA 1 21 TYR H 4.685 2.235 7.134 3.329 2.923 3.848 . 0 0 "[ . 1 . 2]" 1
129 1 10 GLU HB2 1 11 TYR H 4.408 2.171 6.645 3.301 3.090 3.655 . 0 0 "[ . 1 . 2]" 1
130 1 10 GLU HB2 1 18 THR HB 4.706 2.240 7.172 5.173 4.656 6.630 . 0 0 "[ . 1 . 2]" 1
131 1 10 GLU HB2 1 18 THR MG 4.441 2.179 6.704 2.458 2.167 3.569 0.012 12 0 "[ . 1 . 2]" 1
132 1 10 GLU HB2 1 20 TYR HA 4.823 2.267 7.379 4.285 3.747 4.910 . 0 0 "[ . 1 . 2]" 1
133 1 10 GLU HB2 1 36 LEU MD2 5.110 2.333 7.886 5.462 4.511 6.330 . 0 0 "[ . 1 . 2]" 1
134 1 10 GLU HB3 1 20 TYR QE 4.397 2.169 6.626 2.596 2.291 3.496 . 0 0 "[ . 1 . 2]" 1
135 1 10 GLU HG2 1 11 TYR H 4.410 2.172 6.649 5.218 4.299 5.636 . 0 0 "[ . 1 . 2]" 1
136 1 10 GLU HG2 1 18 THR MG 4.555 2.205 6.906 4.600 3.825 5.999 . 0 0 "[ . 1 . 2]" 1
137 1 10 GLU HG2 1 20 TYR QE 4.471 2.186 6.757 3.998 2.944 5.267 . 0 0 "[ . 1 . 2]" 1
138 1 11 TYR H 1 12 LYS H 4.774 2.255 7.292 4.295 4.101 4.445 . 0 0 "[ . 1 . 2]" 1
139 1 11 TYR H 1 18 THR MG 4.832 2.269 7.395 3.445 2.844 4.259 . 0 0 "[ . 1 . 2]" 1
140 1 11 TYR H 1 19 TYR H 4.411 2.172 6.648 3.322 3.002 3.716 . 0 0 "[ . 1 . 2]" 1
141 1 11 TYR H 1 19 TYR QD 4.854 2.274 7.434 4.356 4.143 4.650 . 0 0 "[ . 1 . 2]" 1
142 1 11 TYR H 1 20 TYR HA 4.562 2.207 6.918 3.448 3.183 3.738 . 0 0 "[ . 1 . 2]" 1
143 1 11 TYR HA 1 12 LYS H 3.871 2.047 5.694 2.116 2.078 2.200 . 0 0 "[ . 1 . 2]" 1
144 1 11 TYR HA 1 19 TYR QE 4.985 2.304 7.667 5.258 5.134 5.506 . 0 0 "[ . 1 . 2]" 1
145 1 11 TYR HB2 1 12 LYS H 4.232 2.130 6.333 4.324 4.076 4.465 . 0 0 "[ . 1 . 2]" 1
146 1 11 TYR HB2 1 18 THR HA 4.900 2.285 7.516 4.895 4.519 5.275 . 0 0 "[ . 1 . 2]" 1
147 1 11 TYR HB2 1 19 TYR QD 4.549 2.204 6.895 3.515 3.337 3.660 . 0 0 "[ . 1 . 2]" 1
148 1 11 TYR HB2 1 19 TYR QE 4.647 2.226 7.068 3.054 2.714 3.393 . 0 0 "[ . 1 . 2]" 1
149 1 11 TYR HB3 1 12 LYS H 4.521 2.197 6.844 3.453 3.049 3.688 . 0 0 "[ . 1 . 2]" 1
150 1 11 TYR HB3 1 19 TYR QE 4.744 2.249 7.239 3.309 2.917 3.632 . 0 0 "[ . 1 . 2]" 1
151 1 11 TYR QD 1 12 LYS H 4.758 2.252 7.265 4.088 3.707 4.352 . 0 0 "[ . 1 . 2]" 1
152 1 11 TYR QD 1 19 TYR QE 4.728 2.245 7.211 3.072 2.727 3.849 . 0 0 "[ . 1 . 2]" 1
153 1 11 TYR QD 1 20 TYR HA 4.962 2.299 7.625 4.288 3.722 4.880 . 0 0 "[ . 1 . 2]" 1
154 1 11 TYR QD 1 21 TYR H 4.834 2.269 7.398 3.473 2.789 4.018 . 0 0 "[ . 1 . 2]" 1
155 1 11 TYR QD 1 21 TYR HA 4.919 2.289 7.549 5.038 4.604 5.470 . 0 0 "[ . 1 . 2]" 1
156 1 11 TYR QD 1 21 TYR HB2 4.553 2.205 6.902 2.902 2.357 3.465 . 0 0 "[ . 1 . 2]" 1
157 1 11 TYR QD 1 21 TYR HB3 4.522 2.197 6.846 3.453 2.651 4.139 . 0 0 "[ . 1 . 2]" 1
158 1 11 TYR QD 1 21 TYR QD 4.588 2.213 6.963 4.524 3.932 5.188 . 0 0 "[ . 1 . 2]" 1
159 1 11 TYR QE 1 19 TYR QE 4.920 2.289 7.551 4.094 3.634 4.934 . 0 0 "[ . 1 . 2]" 1
160 1 11 TYR QE 1 21 TYR H 4.929 2.291 7.567 4.016 3.395 4.640 . 0 0 "[ . 1 . 2]" 1
161 1 11 TYR QE 1 21 TYR HA 4.991 2.306 7.676 5.033 4.544 5.628 . 0 0 "[ . 1 . 2]" 1
162 1 11 TYR QE 1 21 TYR HB2 4.426 2.175 6.677 2.837 2.176 3.752 . 0 0 "[ . 1 . 2]" 1
163 1 11 TYR QE 1 21 TYR HB3 4.511 2.195 6.828 2.417 2.186 3.020 0.008 1 0 "[ . 1 . 2]" 1
164 1 11 TYR QE 1 21 TYR QD 4.635 2.223 7.046 3.379 2.229 4.099 . 0 0 "[ . 1 . 2]" 1
165 1 12 LYS H 1 13 THR H 4.833 2.269 7.397 4.367 4.277 4.433 . 0 0 "[ . 1 . 2]" 1
166 1 12 LYS H 1 19 TYR QE 4.985 2.304 7.667 5.746 5.283 6.071 . 0 0 "[ . 1 . 2]" 1
167 1 12 LYS HA 1 13 THR H 3.770 2.024 5.516 2.155 2.137 2.173 . 0 0 "[ . 1 . 2]" 1
168 1 12 LYS HA 1 17 LYS H 4.838 2.270 7.405 4.597 4.243 4.953 . 0 0 "[ . 1 . 2]" 1
169 1 12 LYS HA 1 18 THR HA 4.492 2.191 6.794 2.705 2.399 3.060 . 0 0 "[ . 1 . 2]" 1
170 1 12 LYS HA 1 18 THR MG 4.909 2.287 7.531 3.149 2.601 3.940 . 0 0 "[ . 1 . 2]" 1
171 1 12 LYS HA 1 19 TYR H 4.444 2.179 6.709 4.194 3.982 4.405 . 0 0 "[ . 1 . 2]" 1
172 1 12 LYS HA 1 19 TYR QD 4.686 2.235 7.137 5.157 4.814 5.535 . 0 0 "[ . 1 . 2]" 1
173 1 12 LYS HA 1 19 TYR QE 4.787 2.259 7.315 5.461 5.058 5.976 . 0 0 "[ . 1 . 2]" 1
174 1 12 LYS HB2 1 13 THR H 4.528 2.199 6.857 4.324 4.149 4.469 . 0 0 "[ . 1 . 2]" 1
175 1 12 LYS HB2 1 16 GLY HA2 4.841 2.271 7.410 6.416 5.573 7.221 . 0 0 "[ . 1 . 2]" 1
176 1 12 LYS HB3 1 13 THR H 4.518 2.196 6.839 4.315 4.174 4.413 . 0 0 "[ . 1 . 2]" 1
177 1 12 LYS HB3 1 16 GLY HA2 4.724 2.244 7.204 6.681 6.104 7.163 . 0 0 "[ . 1 . 2]" 1
178 1 12 LYS HB3 1 18 THR HA 4.458 2.183 6.734 5.581 5.165 5.882 . 0 0 "[ . 1 . 2]" 1
179 1 12 LYS HD3 1 16 GLY HA2 4.866 2.277 7.456 3.892 3.159 4.677 . 0 0 "[ . 1 . 2]" 1
180 1 12 LYS HE2 1 16 GLY HA2 4.810 2.264 7.356 5.301 3.561 6.372 . 0 0 "[ . 1 . 2]" 1
181 1 12 LYS HE2 1 16 GLY HA3 5.086 2.328 7.844 6.816 5.036 7.848 0.004 12 0 "[ . 1 . 2]" 1
182 1 12 LYS HE2 1 18 THR MG 4.888 2.282 7.494 3.893 2.279 5.012 0.003 6 0 "[ . 1 . 2]" 1
183 1 12 LYS HG2 1 13 THR H 4.388 2.167 6.610 4.751 4.603 4.882 . 0 0 "[ . 1 . 2]" 1
184 1 12 LYS HG2 1 16 GLY H 4.692 2.237 7.148 6.012 5.422 6.613 . 0 0 "[ . 1 . 2]" 1
185 1 12 LYS HG2 1 16 GLY HA2 4.707 2.240 7.173 5.227 4.402 5.894 . 0 0 "[ . 1 . 2]" 1
186 1 12 LYS HG3 1 13 THR H 4.050 2.088 6.012 3.267 3.053 3.438 . 0 0 "[ . 1 . 2]" 1
187 1 12 LYS HG3 1 16 GLY H 4.589 2.213 6.966 4.586 4.167 4.976 . 0 0 "[ . 1 . 2]" 1
188 1 12 LYS HG3 1 16 GLY HA2 4.690 2.236 7.144 4.339 3.615 4.928 . 0 0 "[ . 1 . 2]" 1
189 1 12 LYS HG3 1 18 THR HA 4.656 2.228 7.084 5.457 5.101 5.673 . 0 0 "[ . 1 . 2]" 1
190 1 13 THR H 1 16 GLY H 4.738 2.247 7.228 4.107 3.974 4.285 . 0 0 "[ . 1 . 2]" 1
191 1 13 THR H 1 16 GLY HA2 5.006 2.309 7.703 4.588 4.329 4.884 . 0 0 "[ . 1 . 2]" 1
192 1 13 THR H 1 16 GLY HA3 5.003 2.308 7.698 5.950 5.730 6.198 . 0 0 "[ . 1 . 2]" 1
193 1 13 THR H 1 17 LYS H 4.477 2.187 6.766 2.947 2.700 3.228 . 0 0 "[ . 1 . 2]" 1
194 1 13 THR H 1 17 LYS HA 4.833 2.269 7.397 4.788 4.637 4.969 . 0 0 "[ . 1 . 2]" 1
195 1 13 THR H 1 17 LYS HB2 4.696 2.238 7.154 3.909 3.526 4.514 . 0 0 "[ . 1 . 2]" 1
196 1 13 THR H 1 18 THR HA 4.546 2.203 6.889 3.548 3.119 4.079 . 0 0 "[ . 1 . 2]" 1
197 1 13 THR H 1 19 TYR H 4.853 2.274 7.433 4.813 4.550 5.114 . 0 0 "[ . 1 . 2]" 1
198 1 13 THR H 1 19 TYR QD 4.819 2.266 7.373 4.806 4.494 5.137 . 0 0 "[ . 1 . 2]" 1
199 1 13 THR H 1 19 TYR QE 4.845 2.272 7.417 4.858 4.496 5.488 . 0 0 "[ . 1 . 2]" 1
200 1 13 THR HA 1 14 ALA H 4.394 2.168 6.621 2.278 2.250 2.310 . 0 0 "[ . 1 . 2]" 1
201 1 13 THR HA 1 14 ALA HA 4.798 2.261 7.335 4.299 4.267 4.354 . 0 0 "[ . 1 . 2]" 1
202 1 13 THR HA 1 14 ALA MB 4.874 2.279 7.469 4.072 4.028 4.122 . 0 0 "[ . 1 . 2]" 1
203 1 13 THR HA 1 19 TYR QD 4.965 2.300 7.631 6.273 5.684 6.935 . 0 0 "[ . 1 . 2]" 1
204 1 13 THR HA 1 19 TYR QE 4.526 2.198 6.853 5.185 4.583 5.870 . 0 0 "[ . 1 . 2]" 1
205 1 13 THR HB 1 14 ALA H 4.622 2.221 7.024 2.717 2.679 2.782 . 0 0 "[ . 1 . 2]" 1
206 1 13 THR HB 1 14 ALA MB 4.983 2.304 7.661 4.110 4.007 4.155 . 0 0 "[ . 1 . 2]" 1
207 1 13 THR MG 1 14 ALA H 4.867 2.277 7.458 3.794 3.630 3.920 . 0 0 "[ . 1 . 2]" 1
208 1 13 THR MG 1 15 ASP H 5.057 2.321 7.794 4.326 4.207 4.417 . 0 0 "[ . 1 . 2]" 1
209 1 13 THR MG 1 17 LYS H 4.853 2.274 7.432 3.762 3.467 4.050 . 0 0 "[ . 1 . 2]" 1
210 1 13 THR MG 1 17 LYS HB2 4.538 2.201 6.875 2.998 2.499 3.359 . 0 0 "[ . 1 . 2]" 1
211 1 13 THR MG 1 18 THR HA 4.928 2.291 7.565 4.184 3.390 4.852 . 0 0 "[ . 1 . 2]" 1
212 1 13 THR MG 1 19 TYR H 5.029 2.314 7.743 4.268 3.481 4.889 . 0 0 "[ . 1 . 2]" 1
213 1 13 THR MG 1 19 TYR QD 4.593 2.214 6.973 3.157 2.625 3.879 . 0 0 "[ . 1 . 2]" 1
214 1 13 THR MG 1 19 TYR QE 4.618 2.220 7.017 2.460 2.213 3.021 0.006 10 0 "[ . 1 . 2]" 1
215 1 13 THR MG 1 30 TRP HH2 4.543 2.202 6.884 4.345 2.596 5.505 . 0 0 "[ . 1 . 2]" 1
216 1 13 THR MG 1 30 TRP HZ2 4.935 2.293 7.577 6.248 4.567 7.451 . 0 0 "[ . 1 . 2]" 1
217 1 13 THR MG 1 30 TRP HZ3 4.567 2.208 6.926 4.134 2.938 5.233 . 0 0 "[ . 1 . 2]" 1
218 1 14 ALA H 1 19 TYR QE 5.048 2.319 7.777 7.095 6.558 7.774 . 0 0 "[ . 1 . 2]" 1
219 1 14 ALA HA 1 15 ASP H 4.717 2.242 7.191 3.495 3.474 3.511 . 0 0 "[ . 1 . 2]" 1
220 1 14 ALA MB 1 15 ASP H 4.842 2.271 7.413 2.792 2.758 2.834 . 0 0 "[ . 1 . 2]" 1
221 1 15 ASP HA 1 16 GLY H 4.318 2.150 6.486 3.292 3.228 3.348 . 0 0 "[ . 1 . 2]" 1
222 1 15 ASP HA 1 16 GLY HA2 4.739 2.247 7.230 4.943 4.865 5.007 . 0 0 "[ . 1 . 2]" 1
223 1 15 ASP HA 1 17 LYS H 4.819 2.266 7.371 5.212 4.998 5.659 . 0 0 "[ . 1 . 2]" 1
224 1 15 ASP HB2 1 16 GLY H 4.801 2.262 7.340 4.276 3.985 4.460 . 0 0 "[ . 1 . 2]" 1
225 1 15 ASP HB3 1 16 GLY H 4.812 2.264 7.359 4.390 4.287 4.488 . 0 0 "[ . 1 . 2]" 1
226 1 15 ASP HB3 1 17 LYS H 4.711 2.241 7.180 5.571 5.272 6.152 . 0 0 "[ . 1 . 2]" 1
227 1 16 GLY H 1 17 LYS HA 4.794 2.260 7.328 5.080 5.045 5.139 . 0 0 "[ . 1 . 2]" 1
228 1 16 GLY H 1 17 LYS HB2 4.549 2.204 6.895 4.634 4.497 4.807 . 0 0 "[ . 1 . 2]" 1
229 1 16 GLY H 1 17 LYS HB3 4.577 2.210 6.944 6.025 5.966 6.107 . 0 0 "[ . 1 . 2]" 1
230 1 16 GLY H 1 17 LYS HG2 4.615 2.219 7.011 5.851 5.491 6.152 . 0 0 "[ . 1 . 2]" 1
231 1 16 GLY H 1 17 LYS HG3 4.614 2.219 7.009 4.460 4.238 4.694 . 0 0 "[ . 1 . 2]" 1
232 1 16 GLY HA2 1 17 LYS H 4.538 2.201 6.875 2.876 2.598 3.003 . 0 0 "[ . 1 . 2]" 1
233 1 16 GLY HA3 1 17 LYS H 4.499 2.192 6.806 3.533 3.503 3.571 . 0 0 "[ . 1 . 2]" 1
234 1 17 LYS H 1 18 THR H 4.855 2.274 7.436 4.375 4.093 4.469 . 0 0 "[ . 1 . 2]" 1
235 1 17 LYS HA 1 18 THR H 3.720 2.012 5.427 2.197 2.122 2.540 . 0 0 "[ . 1 . 2]" 1
236 1 17 LYS HA 1 30 TRP HZ3 4.838 2.270 7.405 4.539 3.329 5.910 . 0 0 "[ . 1 . 2]" 1
237 1 17 LYS HB2 1 18 THR H 4.299 2.146 6.453 4.134 3.462 4.466 . 0 0 "[ . 1 . 2]" 1
238 1 17 LYS HB2 1 19 TYR QD 5.015 2.311 7.718 4.387 3.963 5.083 . 0 0 "[ . 1 . 2]" 1
239 1 17 LYS HB2 1 19 TYR QE 4.915 2.288 7.542 5.257 3.918 6.431 . 0 0 "[ . 1 . 2]" 1
240 1 17 LYS HB2 1 30 TRP HE3 4.575 2.210 6.940 5.004 3.631 6.026 . 0 0 "[ . 1 . 2]" 1
241 1 17 LYS HB2 1 30 TRP HH2 4.617 2.219 7.015 4.779 3.425 5.836 . 0 0 "[ . 1 . 2]" 1
242 1 17 LYS HB2 1 30 TRP HZ3 4.203 2.124 6.282 3.279 2.233 4.175 . 0 0 "[ . 1 . 2]" 1
243 1 17 LYS HB3 1 18 THR H 4.306 2.148 6.464 3.127 2.221 3.732 . 0 0 "[ . 1 . 2]" 1
244 1 17 LYS HB3 1 30 TRP HE3 4.586 2.212 6.959 3.436 2.308 4.316 . 0 0 "[ . 1 . 2]" 1
245 1 17 LYS HD2 1 18 THR H 4.848 2.273 7.424 5.916 4.777 6.672 . 0 0 "[ . 1 . 2]" 1
246 1 17 LYS HD2 1 30 TRP HE3 4.668 2.231 7.104 5.398 3.006 7.107 0.003 17 0 "[ . 1 . 2]" 1
247 1 17 LYS HD3 1 18 THR H 4.870 2.278 7.462 5.651 4.625 6.540 . 0 0 "[ . 1 . 2]" 1
248 1 17 LYS HD3 1 30 TRP HE3 4.820 2.266 7.374 4.717 2.970 6.627 . 0 0 "[ . 1 . 2]" 1
249 1 17 LYS HD3 1 30 TRP HZ3 4.735 2.246 7.223 3.417 2.378 5.153 . 0 0 "[ . 1 . 2]" 1
250 1 17 LYS HE2 1 30 TRP HZ3 4.823 2.267 7.379 4.654 2.262 6.513 0.004 15 0 "[ . 1 . 2]" 1
251 1 17 LYS HG2 1 18 THR H 4.614 2.219 7.009 4.214 3.858 4.434 . 0 0 "[ . 1 . 2]" 1
252 1 17 LYS HG2 1 30 TRP HE3 4.653 2.228 7.078 4.858 4.303 5.874 . 0 0 "[ . 1 . 2]" 1
253 1 17 LYS HG2 1 30 TRP HZ3 4.739 2.247 7.230 4.208 3.272 5.139 . 0 0 "[ . 1 . 2]" 1
254 1 17 LYS HG3 1 18 THR H 4.571 2.209 6.934 5.008 4.756 5.296 . 0 0 "[ . 1 . 2]" 1
255 1 17 LYS HG3 1 30 TRP HE3 4.649 2.227 7.071 6.051 5.310 7.023 . 0 0 "[ . 1 . 2]" 1
256 1 17 LYS HG3 1 30 TRP HZ3 4.676 2.233 7.120 4.789 4.315 5.776 . 0 0 "[ . 1 . 2]" 1
257 1 18 THR HA 1 19 TYR H 3.692 2.006 5.379 2.183 2.143 2.243 . 0 0 "[ . 1 . 2]" 1
258 1 18 THR HA 1 19 TYR HB3 4.695 2.237 7.153 4.777 4.541 4.949 . 0 0 "[ . 1 . 2]" 1
259 1 18 THR HA 1 19 TYR QD 4.440 2.179 6.702 3.771 3.418 3.955 . 0 0 "[ . 1 . 2]" 1
260 1 18 THR HB 1 19 TYR H 4.411 2.172 6.651 4.282 4.151 4.435 . 0 0 "[ . 1 . 2]" 1
261 1 18 THR HB 1 20 TYR QE 4.963 2.299 7.627 3.903 3.152 5.078 . 0 0 "[ . 1 . 2]" 1
262 1 18 THR HB 1 32 LYS QZ 4.959 2.298 7.619 6.128 4.615 7.632 0.013 8 0 "[ . 1 . 2]" 1
263 1 18 THR MG 1 19 TYR H 4.405 2.170 6.639 3.096 2.759 3.424 . 0 0 "[ . 1 . 2]" 1
264 1 18 THR MG 1 20 TYR QE 4.720 2.243 7.196 3.021 2.667 3.620 . 0 0 "[ . 1 . 2]" 1
265 1 19 TYR HA 1 20 TYR H 4.053 2.089 6.016 2.133 2.086 2.276 0.003 14 0 "[ . 1 . 2]" 1
266 1 19 TYR HA 1 20 TYR QE 4.296 2.145 6.447 4.716 4.338 5.248 . 0 0 "[ . 1 . 2]" 1
267 1 19 TYR HA 1 30 TRP HB3 4.829 2.268 7.389 4.602 4.153 5.148 . 0 0 "[ . 1 . 2]" 1
268 1 19 TYR HA 1 30 TRP HZ3 4.735 2.246 7.223 5.211 4.608 6.266 . 0 0 "[ . 1 . 2]" 1
269 1 19 TYR HB2 1 20 TYR H 4.427 2.175 6.678 3.120 2.693 3.278 . 0 0 "[ . 1 . 2]" 1
270 1 19 TYR HB2 1 30 TRP HE3 4.601 2.216 6.987 4.521 4.043 5.077 . 0 0 "[ . 1 . 2]" 1
271 1 19 TYR HB2 1 30 TRP HH2 4.893 2.283 7.503 5.391 4.931 6.041 . 0 0 "[ . 1 . 2]" 1
272 1 19 TYR HB2 1 30 TRP HZ3 4.581 2.211 6.951 5.097 4.717 5.430 . 0 0 "[ . 1 . 2]" 1
273 1 19 TYR HB3 1 20 TYR H 4.332 2.154 6.511 4.096 3.886 4.193 . 0 0 "[ . 1 . 2]" 1
274 1 19 TYR HB3 1 30 TRP HE3 4.776 2.256 7.296 3.108 2.760 3.804 . 0 0 "[ . 1 . 2]" 1
275 1 19 TYR HB3 1 30 TRP HZ3 4.730 2.245 7.215 3.437 3.079 3.918 . 0 0 "[ . 1 . 2]" 1
276 1 19 TYR QD 1 20 TYR H 4.307 2.148 6.467 4.181 3.796 4.561 . 0 0 "[ . 1 . 2]" 1
277 1 19 TYR QD 1 21 TYR H 4.809 2.264 7.354 4.363 4.006 4.744 . 0 0 "[ . 1 . 2]" 1
278 1 19 TYR QD 1 21 TYR HB2 4.754 2.251 7.257 3.268 2.754 3.768 . 0 0 "[ . 1 . 2]" 1
279 1 19 TYR QD 1 28 SER HA 4.926 2.291 7.562 4.025 3.106 4.501 . 0 0 "[ . 1 . 2]" 1
280 1 19 TYR QD 1 28 SER HB2 4.580 2.211 6.949 3.869 2.461 4.755 . 0 0 "[ . 1 . 2]" 1
281 1 19 TYR QD 1 28 SER HB3 4.531 2.199 6.862 3.516 2.350 4.840 . 0 0 "[ . 1 . 2]" 1
282 1 19 TYR QD 1 29 TYR H 4.907 2.286 7.528 4.567 3.615 5.107 . 0 0 "[ . 1 . 2]" 1
283 1 19 TYR QD 1 30 TRP HE3 4.911 2.287 7.535 4.313 3.577 5.144 . 0 0 "[ . 1 . 2]" 1
284 1 19 TYR QD 1 30 TRP HZ2 4.898 2.284 7.511 4.969 4.287 5.652 . 0 0 "[ . 1 . 2]" 1
285 1 19 TYR QD 1 30 TRP HZ3 4.504 2.193 6.816 3.239 2.677 4.063 . 0 0 "[ . 1 . 2]" 1
286 1 19 TYR QE 1 21 TYR HB2 4.795 2.260 7.330 3.351 2.753 4.504 . 0 0 "[ . 1 . 2]" 1
287 1 19 TYR QE 1 21 TYR HB3 4.609 2.217 7.001 4.788 4.083 6.044 . 0 0 "[ . 1 . 2]" 1
288 1 19 TYR QE 1 21 TYR QD 4.784 2.258 7.235 3.838 2.338 4.973 . 0 0 "[ . 1 . 2]" 1
289 1 19 TYR QE 1 28 SER HB3 4.751 2.250 7.252 4.811 3.428 6.211 . 0 0 "[ . 1 . 2]" 1
290 1 20 TYR H 1 28 SER HA 5.006 2.309 7.703 4.804 4.179 5.294 . 0 0 "[ . 1 . 2]" 1
291 1 20 TYR H 1 29 TYR H 4.654 2.228 7.080 3.332 2.797 3.625 . 0 0 "[ . 1 . 2]" 1
292 1 20 TYR H 1 29 TYR HB2 4.926 2.291 7.562 3.784 3.083 4.207 . 0 0 "[ . 1 . 2]" 1
293 1 20 TYR H 1 30 TRP HB2 4.998 2.307 7.688 6.204 5.909 6.534 . 0 0 "[ . 1 . 2]" 1
294 1 20 TYR HA 1 21 TYR H 4.045 2.087 6.003 2.119 2.083 2.152 0.004 11 0 "[ . 1 . 2]" 1
295 1 20 TYR HA 1 21 TYR HB2 4.845 2.272 7.419 4.417 4.254 4.651 . 0 0 "[ . 1 . 2]" 1
296 1 20 TYR HB2 1 21 TYR H 4.644 2.225 7.062 4.303 4.183 4.469 . 0 0 "[ . 1 . 2]" 1
297 1 20 TYR HB2 1 29 TYR QD 4.505 2.194 6.817 4.099 3.217 4.787 . 0 0 "[ . 1 . 2]" 1
298 1 20 TYR HB3 1 21 TYR H 4.821 2.266 7.376 3.505 3.325 3.627 . 0 0 "[ . 1 . 2]" 1
299 1 20 TYR HB3 1 29 TYR H 4.926 2.291 7.562 4.605 3.749 5.115 . 0 0 "[ . 1 . 2]" 1
300 1 20 TYR QD 1 21 TYR H 4.782 2.257 7.306 4.311 3.998 4.525 . 0 0 "[ . 1 . 2]" 1
301 1 20 TYR QD 1 31 GLU HA 4.658 2.229 7.088 4.413 3.847 5.721 . 0 0 "[ . 1 . 2]" 1
302 1 20 TYR QD 1 32 LYS HA 4.429 2.176 6.683 3.197 2.563 3.716 . 0 0 "[ . 1 . 2]" 1
303 1 20 TYR QD 1 32 LYS HB2 5.033 2.315 7.751 5.005 3.880 6.100 . 0 0 "[ . 1 . 2]" 1
304 1 20 TYR QD 1 33 PRO HD2 4.824 2.267 7.381 3.752 2.999 4.274 . 0 0 "[ . 1 . 2]" 1
305 1 20 TYR QD 1 33 PRO HD3 4.943 2.295 7.592 3.760 2.498 4.606 . 0 0 "[ . 1 . 2]" 1
306 1 20 TYR QD 1 33 PRO HG2 4.719 2.243 7.195 5.205 4.266 5.767 . 0 0 "[ . 1 . 2]" 1
307 1 20 TYR QD 1 33 PRO HG3 5.137 2.339 7.935 4.899 3.698 5.728 . 0 0 "[ . 1 . 2]" 1
308 1 20 TYR QD 1 36 LEU MD1 5.226 2.360 8.093 4.563 3.148 5.260 . 0 0 "[ . 1 . 2]" 1
309 1 20 TYR QD 1 36 LEU MD2 4.980 2.303 7.657 3.083 2.350 3.716 . 0 0 "[ . 1 . 2]" 1
310 1 20 TYR QE 1 21 TYR H 4.821 2.266 7.375 6.266 5.928 6.578 . 0 0 "[ . 1 . 2]" 1
311 1 20 TYR QE 1 29 TYR HB2 5.090 2.328 7.852 6.038 5.292 6.629 . 0 0 "[ . 1 . 2]" 1
312 1 20 TYR QE 1 30 TRP HA 4.484 2.189 6.780 5.258 3.853 6.562 . 0 0 "[ . 1 . 2]" 1
313 1 20 TYR QE 1 31 GLU HA 4.526 2.198 6.854 4.247 2.671 6.680 . 0 0 "[ . 1 . 2]" 1
314 1 20 TYR QE 1 32 LYS HA 4.586 2.212 6.959 3.438 2.248 4.632 . 0 0 "[ . 1 . 2]" 1
315 1 20 TYR QE 1 32 LYS HB2 4.807 2.263 7.350 4.109 2.572 6.054 . 0 0 "[ . 1 . 2]" 1
316 1 20 TYR QE 1 32 LYS HB3 4.835 2.270 7.400 4.082 2.514 5.252 . 0 0 "[ . 1 . 2]" 1
317 1 20 TYR QE 1 32 LYS HE2 4.649 2.227 7.072 4.546 2.750 5.765 . 0 0 "[ . 1 . 2]" 1
318 1 20 TYR QE 1 32 LYS HG3 4.837 2.270 7.404 3.603 2.491 5.148 . 0 0 "[ . 1 . 2]" 1
319 1 20 TYR QE 1 33 PRO HD2 4.641 2.225 7.057 4.380 3.121 4.923 . 0 0 "[ . 1 . 2]" 1
320 1 20 TYR QE 1 33 PRO HD3 4.373 2.163 6.584 5.020 3.730 5.901 . 0 0 "[ . 1 . 2]" 1
321 1 20 TYR QE 1 36 LEU MD1 5.008 2.309 7.706 4.575 3.062 6.004 . 0 0 "[ . 1 . 2]" 1
322 1 20 TYR QE 1 36 LEU MD2 4.817 2.265 7.368 2.866 2.262 3.755 0.003 19 0 "[ . 1 . 2]" 1
323 1 21 TYR HA 1 22 ASN H 4.077 2.095 6.060 2.131 2.095 2.156 . 0 0 "[ . 1 . 2]" 1
324 1 21 TYR HA 1 28 SER HA 4.673 2.232 7.113 2.366 2.224 2.783 0.008 7 0 "[ . 1 . 2]" 1
325 1 21 TYR HA 1 29 TYR H 4.765 2.254 7.277 3.486 2.907 4.224 . 0 0 "[ . 1 . 2]" 1
326 1 21 TYR HB2 1 22 ASN H 4.860 2.275 7.444 4.373 4.272 4.476 . 0 0 "[ . 1 . 2]" 1
327 1 21 TYR HB3 1 22 ASN H 4.801 2.262 7.340 4.218 4.072 4.360 . 0 0 "[ . 1 . 2]" 1
328 1 21 TYR QD 1 22 ASN H 4.593 2.214 6.972 3.644 2.863 3.940 . 0 0 "[ . 1 . 2]" 1
329 1 21 TYR QD 1 23 ASN H 4.957 2.298 7.616 4.274 3.737 5.009 . 0 0 "[ . 1 . 2]" 1
330 1 21 TYR QD 1 23 ASN HA 4.597 2.215 6.979 3.652 2.869 4.579 . 0 0 "[ . 1 . 2]" 1
331 1 21 TYR QD 1 23 ASN HB2 4.656 2.228 7.084 5.145 4.672 5.977 . 0 0 "[ . 1 . 2]" 1
332 1 21 TYR QD 1 23 ASN HB3 4.505 2.193 6.817 4.962 4.375 5.831 . 0 0 "[ . 1 . 2]" 1
333 1 21 TYR QD 1 23 ASN HD22 4.381 2.165 6.597 3.750 2.655 4.568 . 0 0 "[ . 1 . 2]" 1
334 1 21 TYR QD 1 28 SER HA 4.602 2.216 6.988 3.140 2.233 4.258 . 0 0 "[ . 1 . 2]" 1
335 1 21 TYR QD 1 28 SER HB2 4.657 2.229 7.086 3.561 2.231 4.600 . 0 0 "[ . 1 . 2]" 1
336 1 21 TYR QD 1 28 SER HB3 4.606 2.217 6.995 3.456 2.213 4.699 0.004 16 0 "[ . 1 . 2]" 1
337 1 21 TYR QD 1 29 TYR H 4.932 2.292 7.573 5.007 4.161 5.857 . 0 0 "[ . 1 . 2]" 1
338 1 21 TYR QE 1 23 ASN H 5.043 2.318 7.768 5.081 4.497 5.557 . 0 0 "[ . 1 . 2]" 1
339 1 21 TYR QE 1 23 ASN HA 4.192 2.121 6.263 3.070 2.614 3.930 . 0 0 "[ . 1 . 2]" 1
340 1 21 TYR QE 1 23 ASN HB2 4.632 2.223 7.042 5.328 4.594 6.055 . 0 0 "[ . 1 . 2]" 1
341 1 21 TYR QE 1 23 ASN HB3 4.568 2.208 6.928 4.441 3.699 5.158 . 0 0 "[ . 1 . 2]" 1
342 1 21 TYR QE 1 26 LEU H 4.963 2.299 7.627 4.825 4.187 5.782 . 0 0 "[ . 1 . 2]" 1
343 1 21 TYR QE 1 26 LEU HA 4.440 2.178 6.701 3.191 2.259 4.280 . 0 0 "[ . 1 . 2]" 1
344 1 21 TYR QE 1 26 LEU HB2 4.864 2.276 7.452 5.197 4.491 6.423 . 0 0 "[ . 1 . 2]" 1
345 1 21 TYR QE 1 26 LEU HB3 4.746 2.249 7.242 3.992 3.344 5.381 . 0 0 "[ . 1 . 2]" 1
346 1 21 TYR QE 1 26 LEU MD1 5.033 2.315 7.751 4.966 4.283 6.268 . 0 0 "[ . 1 . 2]" 1
347 1 21 TYR QE 1 26 LEU MD2 4.713 2.241 7.185 3.105 2.239 4.274 0.002 18 0 "[ . 1 . 2]" 1
348 1 21 TYR QE 1 26 LEU HG 5.002 2.308 7.695 5.467 4.612 6.528 . 0 0 "[ . 1 . 2]" 1
349 1 21 TYR QE 1 27 GLU HA 4.973 2.301 7.644 4.723 3.799 5.915 . 0 0 "[ . 1 . 2]" 1
350 1 21 TYR QE 1 28 SER HB2 5.022 2.313 7.731 4.549 2.312 5.907 0.001 15 0 "[ . 1 . 2]" 1
351 1 21 TYR QE 1 28 SER HB3 4.959 2.298 7.620 4.615 2.954 5.902 . 0 0 "[ . 1 . 2]" 1
352 1 22 ASN H 1 28 SER HA 4.609 2.217 7.000 3.337 3.094 3.597 . 0 0 "[ . 1 . 2]" 1
353 1 22 ASN HA 1 23 ASN H 3.952 2.066 5.838 2.137 2.111 2.179 . 0 0 "[ . 1 . 2]" 1
354 1 22 ASN HB2 1 23 ASN H 4.398 2.169 6.627 4.333 4.145 4.457 . 0 0 "[ . 1 . 2]" 1
355 1 22 ASN HB2 1 25 THR H 4.604 2.216 6.992 4.652 4.352 4.909 . 0 0 "[ . 1 . 2]" 1
356 1 22 ASN HB2 1 25 THR MG 4.602 2.216 6.988 5.537 3.638 6.632 . 0 0 "[ . 1 . 2]" 1
357 1 22 ASN HB2 1 26 LEU H 4.653 2.228 7.078 5.375 5.073 5.627 . 0 0 "[ . 1 . 2]" 1
358 1 22 ASN HB2 1 27 GLU HB2 4.918 2.289 7.547 4.022 3.308 5.644 . 0 0 "[ . 1 . 2]" 1
359 1 22 ASN HB2 1 27 GLU HB3 4.863 2.276 7.450 5.338 4.803 6.831 . 0 0 "[ . 1 . 2]" 1
360 1 22 ASN HB3 1 23 ASN H 4.885 2.281 7.490 4.288 4.017 4.379 . 0 0 "[ . 1 . 2]" 1
361 1 22 ASN HB3 1 25 THR H 4.737 2.247 7.227 3.381 3.040 3.711 . 0 0 "[ . 1 . 2]" 1
362 1 22 ASN HB3 1 26 LEU H 4.870 2.278 7.462 3.808 3.430 4.110 . 0 0 "[ . 1 . 2]" 1
363 1 22 ASN HB3 1 29 TYR QD 4.738 2.247 7.229 4.629 3.534 6.140 . 0 0 "[ . 1 . 2]" 1
364 1 22 ASN HB3 1 29 TYR QE 4.810 2.264 7.355 3.969 2.366 5.760 . 0 0 "[ . 1 . 2]" 1
365 1 22 ASN HD21 1 25 THR MG 5.002 2.308 7.696 5.357 3.168 7.253 . 0 0 "[ . 1 . 2]" 1
366 1 22 ASN HD22 1 25 THR MG 4.796 2.261 7.332 4.779 2.841 6.665 . 0 0 "[ . 1 . 2]" 1
367 1 23 ASN H 1 24 ARG H 4.274 2.140 6.368 2.523 2.343 2.670 . 0 0 "[ . 1 . 2]" 1
368 1 23 ASN H 1 25 THR H 4.943 2.295 7.592 4.406 3.812 4.972 . 0 0 "[ . 1 . 2]" 1
369 1 23 ASN HA 1 24 ARG H 4.561 2.206 6.916 3.366 3.262 3.499 . 0 0 "[ . 1 . 2]" 1
370 1 23 ASN HA 1 26 LEU MD1 5.094 2.329 7.859 5.525 5.218 5.945 . 0 0 "[ . 1 . 2]" 1
371 1 23 ASN HA 1 26 LEU MD2 4.673 2.232 7.114 2.785 2.404 3.248 . 0 0 "[ . 1 . 2]" 1
372 1 23 ASN HB2 1 24 ARG H 4.601 2.216 6.987 3.314 2.827 3.596 . 0 0 "[ . 1 . 2]" 1
373 1 23 ASN HB2 1 24 ARG HB2 4.946 2.295 7.596 4.741 4.170 6.146 . 0 0 "[ . 1 . 2]" 1
374 1 23 ASN HB2 1 24 ARG HG3 4.802 2.262 7.342 6.329 4.470 7.136 . 0 0 "[ . 1 . 2]" 1
375 1 23 ASN HB2 1 25 THR H 4.912 2.287 7.536 5.485 5.012 6.059 . 0 0 "[ . 1 . 2]" 1
376 1 23 ASN HB2 1 26 LEU H 4.829 2.268 7.389 5.579 5.243 5.779 . 0 0 "[ . 1 . 2]" 1
377 1 23 ASN HB3 1 24 ARG H 4.489 2.190 6.788 4.124 3.897 4.298 . 0 0 "[ . 1 . 2]" 1
378 1 23 ASN HB3 1 24 ARG HB2 5.009 2.310 7.708 5.672 5.101 6.502 . 0 0 "[ . 1 . 2]" 1
379 1 23 ASN HB3 1 24 ARG HB3 5.155 2.344 7.967 6.313 5.273 6.816 . 0 0 "[ . 1 . 2]" 1
380 1 23 ASN HB3 1 26 LEU H 4.636 2.224 7.049 5.368 5.085 5.582 . 0 0 "[ . 1 . 2]" 1
381 1 23 ASN HD22 1 24 ARG H 4.877 2.279 7.474 6.098 5.061 6.564 . 0 0 "[ . 1 . 2]" 1
382 1 24 ARG H 1 25 THR H 4.034 2.085 5.982 2.407 2.232 2.837 . 0 0 "[ . 1 . 2]" 1
383 1 24 ARG H 1 25 THR MG 4.835 2.270 7.400 5.041 3.688 6.089 . 0 0 "[ . 1 . 2]" 1
384 1 24 ARG H 1 26 LEU H 4.555 2.205 6.904 3.408 3.161 3.749 . 0 0 "[ . 1 . 2]" 1
385 1 24 ARG H 1 26 LEU HA 4.885 2.281 7.490 5.079 4.760 5.485 . 0 0 "[ . 1 . 2]" 1
386 1 24 ARG HA 1 25 THR H 4.522 2.197 6.846 3.503 3.332 3.571 . 0 0 "[ . 1 . 2]" 1
387 1 24 ARG HB2 1 25 THR H 4.343 2.156 6.530 3.712 2.150 4.179 0.006 7 0 "[ . 1 . 2]" 1
388 1 24 ARG HB2 1 25 THR MG 4.730 2.245 7.215 5.101 2.886 6.471 . 0 0 "[ . 1 . 2]" 1
389 1 24 ARG HB3 1 25 THR H 4.470 2.185 6.754 2.947 2.382 4.369 . 0 0 "[ . 1 . 2]" 1
390 1 24 ARG HB3 1 25 THR HA 4.456 2.182 6.731 4.604 4.299 5.807 . 0 0 "[ . 1 . 2]" 1
391 1 24 ARG HB3 1 25 THR MG 4.764 2.253 7.275 4.099 2.751 6.786 . 0 0 "[ . 1 . 2]" 1
392 1 24 ARG HE 1 26 LEU MD2 5.111 2.333 7.889 7.126 5.773 7.899 0.010 6 0 "[ . 1 . 2]" 1
393 1 24 ARG HG2 1 25 THR H 4.655 2.228 7.083 4.331 3.284 5.298 . 0 0 "[ . 1 . 2]" 1
394 1 24 ARG HG3 1 25 THR H 4.682 2.234 7.129 4.510 3.349 5.144 . 0 0 "[ . 1 . 2]" 1
395 1 24 ARG HG3 1 25 THR MG 4.672 2.232 7.112 4.854 3.196 6.782 . 0 0 "[ . 1 . 2]" 1
396 1 25 THR H 1 26 LEU HA 4.648 2.226 7.069 4.260 4.008 4.528 . 0 0 "[ . 1 . 2]" 1
397 1 25 THR H 1 26 LEU MD1 5.094 2.329 7.859 5.837 5.580 6.051 . 0 0 "[ . 1 . 2]" 1
398 1 25 THR H 1 26 LEU MD2 5.013 2.311 7.715 4.432 4.037 4.701 . 0 0 "[ . 1 . 2]" 1
399 1 25 THR H 1 27 GLU H 4.737 2.247 7.227 3.449 3.252 3.819 . 0 0 "[ . 1 . 2]" 1
400 1 25 THR HA 1 26 LEU H 4.543 2.202 6.883 3.309 3.179 3.457 . 0 0 "[ . 1 . 2]" 1
401 1 25 THR HB 1 26 LEU H 4.663 2.230 7.096 3.835 2.998 4.313 . 0 0 "[ . 1 . 2]" 1
402 1 25 THR HB 1 26 LEU MD1 5.102 2.331 7.874 6.144 5.812 6.777 . 0 0 "[ . 1 . 2]" 1
403 1 25 THR HB 1 27 GLU HB2 4.793 2.260 7.326 3.488 2.559 4.745 . 0 0 "[ . 1 . 2]" 1
404 1 25 THR HB 1 27 GLU HB3 4.838 2.270 7.405 4.756 4.131 6.283 . 0 0 "[ . 1 . 2]" 1
405 1 25 THR HB 1 27 GLU HG2 4.445 2.180 6.710 3.369 2.180 5.947 . 0 0 "[ . 1 . 2]" 1
406 1 25 THR HB 1 27 GLU HG3 4.556 2.205 6.907 2.780 2.200 4.227 0.005 15 0 "[ . 1 . 2]" 1
407 1 25 THR MG 1 26 LEU H 4.858 2.275 7.441 4.149 2.910 4.461 . 0 0 "[ . 1 . 2]" 1
408 1 25 THR MG 1 26 LEU HB2 4.579 2.211 6.948 4.965 4.132 5.761 . 0 0 "[ . 1 . 2]" 1
409 1 25 THR MG 1 27 GLU H 4.859 2.275 7.443 4.240 2.266 5.120 0.009 12 0 "[ . 1 . 2]" 1
410 1 25 THR MG 1 27 GLU HG2 4.900 2.285 7.516 3.765 2.282 5.214 0.003 11 0 "[ . 1 . 2]" 1
411 1 26 LEU H 1 27 GLU H 4.278 2.141 6.414 2.567 2.508 2.662 . 0 0 "[ . 1 . 2]" 1
412 1 26 LEU HA 1 27 GLU H 4.332 2.154 6.511 2.915 2.847 2.979 . 0 0 "[ . 1 . 2]" 1
413 1 26 LEU HB2 1 27 GLU H 4.528 2.199 6.858 4.090 3.996 4.152 . 0 0 "[ . 1 . 2]" 1
414 1 26 LEU HB3 1 27 GLU H 4.664 2.230 7.098 4.453 4.419 4.501 . 0 0 "[ . 1 . 2]" 1
415 1 26 LEU MD1 1 27 GLU H 4.923 2.290 7.556 5.576 5.525 5.619 . 0 0 "[ . 1 . 2]" 1
416 1 26 LEU MD2 1 27 GLU H 4.850 2.273 7.426 4.418 4.254 4.514 . 0 0 "[ . 1 . 2]" 1
417 1 26 LEU HG 1 27 GLU H 4.865 2.276 7.453 4.961 4.885 5.042 . 0 0 "[ . 1 . 2]" 1
418 1 27 GLU H 1 28 SER H 4.814 2.265 7.364 4.476 4.410 4.550 . 0 0 "[ . 1 . 2]" 1
419 1 27 GLU HA 1 28 SER H 4.036 2.085 5.987 2.173 2.131 2.241 . 0 0 "[ . 1 . 2]" 1
420 1 27 GLU HB2 1 28 SER H 4.419 2.174 6.665 4.145 3.899 4.339 . 0 0 "[ . 1 . 2]" 1
421 1 27 GLU HB2 1 29 TYR QE 4.577 2.210 6.944 3.119 2.233 4.119 . 0 0 "[ . 1 . 2]" 1
422 1 27 GLU HB3 1 28 SER H 4.723 2.244 7.202 3.118 2.733 3.417 . 0 0 "[ . 1 . 2]" 1
423 1 27 GLU HB3 1 29 TYR QD 4.977 2.302 7.651 3.947 3.176 4.515 . 0 0 "[ . 1 . 2]" 1
424 1 27 GLU HB3 1 29 TYR QE 4.607 2.217 6.997 3.051 2.211 3.720 0.006 5 0 "[ . 1 . 2]" 1
425 1 27 GLU HG2 1 28 SER H 5.018 2.312 7.723 4.524 3.892 5.061 . 0 0 "[ . 1 . 2]" 1
426 1 27 GLU HG2 1 29 TYR QD 4.933 2.292 7.575 6.164 5.443 6.635 . 0 0 "[ . 1 . 2]" 1
427 1 27 GLU HG2 1 29 TYR QE 4.992 2.306 7.678 4.786 3.920 5.345 . 0 0 "[ . 1 . 2]" 1
428 1 27 GLU HG3 1 28 SER H 4.857 2.275 7.438 5.112 4.798 5.458 . 0 0 "[ . 1 . 2]" 1
429 1 27 GLU HG3 1 29 TYR QE 5.019 2.312 7.726 4.424 3.352 5.368 . 0 0 "[ . 1 . 2]" 1
430 1 28 SER HA 1 29 TYR H 4.199 2.123 6.276 2.153 2.131 2.167 . 0 0 "[ . 1 . 2]" 1
431 1 28 SER HA 1 29 TYR QE 5.036 2.316 7.756 5.460 4.892 5.813 . 0 0 "[ . 1 . 2]" 1
432 1 28 SER HB2 1 29 TYR H 4.650 2.227 7.074 4.105 3.415 4.391 . 0 0 "[ . 1 . 2]" 1
433 1 28 SER HB3 1 29 TYR H 4.594 2.214 6.973 3.913 3.413 4.379 . 0 0 "[ . 1 . 2]" 1
434 1 29 TYR HB2 1 30 TRP H 4.948 2.296 7.600 4.224 3.895 4.448 . 0 0 "[ . 1 . 2]" 1
435 1 29 TYR HB2 1 31 GLU H 4.672 2.232 7.112 3.690 3.004 4.473 . 0 0 "[ . 1 . 2]" 1
436 1 29 TYR HB3 1 31 GLU H 4.848 2.273 7.424 2.552 2.281 2.934 . 0 0 "[ . 1 . 2]" 1
437 1 29 TYR QD 1 31 GLU HB2 4.848 2.273 7.423 5.426 3.005 6.568 . 0 0 "[ . 1 . 2]" 1
438 1 29 TYR QD 1 31 GLU HB3 4.396 2.168 6.624 5.669 3.681 6.627 0.004 20 0 "[ . 1 . 2]" 1
439 1 29 TYR QD 1 32 LYS HB2 5.035 2.316 7.753 7.693 7.250 7.764 0.011 4 0 "[ . 1 . 2]" 1
440 1 30 TRP H 1 31 GLU H 4.693 2.237 7.149 2.408 2.233 2.602 0.004 20 0 "[ . 1 . 2]" 1
441 1 30 TRP HA 1 31 GLU H 4.655 2.228 7.081 3.275 3.172 3.415 . 0 0 "[ . 1 . 2]" 1
442 1 30 TRP HB2 1 31 GLU H 4.830 2.269 7.392 3.439 3.073 3.690 . 0 0 "[ . 1 . 2]" 1
443 1 30 TRP HB3 1 31 GLU H 4.748 2.249 7.246 4.202 3.997 4.341 . 0 0 "[ . 1 . 2]" 1
444 1 31 GLU HA 1 32 LYS H 3.904 2.055 5.754 2.242 2.169 2.312 . 0 0 "[ . 1 . 2]" 1
445 1 31 GLU HA 1 32 LYS HA 4.873 2.278 7.468 4.290 4.169 4.371 . 0 0 "[ . 1 . 2]" 1
446 1 31 GLU HA 1 32 LYS QZ 4.631 2.222 7.039 5.836 3.623 7.057 0.017 4 0 "[ . 1 . 2]" 1
447 1 31 GLU HB2 1 32 LYS H 4.516 2.196 6.836 3.698 2.735 4.379 . 0 0 "[ . 1 . 2]" 1
448 1 31 GLU HB3 1 32 LYS H 4.633 2.223 7.043 3.534 2.744 4.076 . 0 0 "[ . 1 . 2]" 1
449 1 31 GLU HG2 1 32 LYS H 4.736 2.247 7.225 4.432 3.662 5.323 . 0 0 "[ . 1 . 2]" 1
450 1 31 GLU HG3 1 32 LYS H 4.661 2.229 7.092 4.193 2.362 5.231 . 0 0 "[ . 1 . 2]" 1
451 1 32 LYS H 1 33 PRO HD3 4.924 2.290 7.558 4.767 4.527 4.955 . 0 0 "[ . 1 . 2]" 1
452 1 32 LYS HA 1 33 PRO HD3 4.322 2.151 6.492 2.411 2.233 2.635 . 0 0 "[ . 1 . 2]" 1
453 1 32 LYS HA 1 33 PRO HG3 4.722 2.244 7.200 4.341 4.310 4.386 . 0 0 "[ . 1 . 2]" 1
454 1 32 LYS HA 1 36 LEU MD1 5.032 2.315 7.749 6.105 5.309 7.622 . 0 0 "[ . 1 . 2]" 1
455 1 32 LYS HA 1 36 LEU MD2 4.783 2.258 7.308 3.685 2.825 5.226 . 0 0 "[ . 1 . 2]" 1
456 1 32 LYS HB2 1 33 PRO HD2 4.728 2.245 7.211 3.887 2.735 4.424 . 0 0 "[ . 1 . 2]" 1
457 1 32 LYS HB2 1 36 LEU MD2 4.780 2.257 7.304 4.097 2.280 6.273 . 0 0 "[ . 1 . 2]" 1
458 1 32 LYS HE2 1 36 LEU HG 4.602 2.216 6.988 5.530 2.770 6.995 0.006 19 0 "[ . 1 . 2]" 1
459 1 32 LYS HG2 1 36 LEU HB3 4.642 2.225 7.059 4.836 2.441 6.588 . 0 0 "[ . 1 . 2]" 1
460 1 32 LYS HG2 1 36 LEU MD2 4.292 2.144 6.440 3.711 2.142 5.716 0.002 15 0 "[ . 1 . 2]" 1
461 1 32 LYS HG2 1 36 LEU HG 4.594 2.214 6.973 5.612 4.111 6.979 0.006 11 0 "[ . 1 . 2]" 1
462 1 32 LYS HG3 1 33 PRO HD2 4.789 2.259 7.319 4.135 2.324 5.022 . 0 0 "[ . 1 . 2]" 1
463 1 32 LYS HG3 1 33 PRO HD3 4.722 2.244 7.200 5.105 3.927 5.821 . 0 0 "[ . 1 . 2]" 1
464 1 32 LYS HG3 1 36 LEU HB3 4.797 2.261 7.332 5.200 2.499 6.867 . 0 0 "[ . 1 . 2]" 1
465 1 32 LYS HG3 1 36 LEU MD2 4.663 2.230 7.097 4.058 2.224 5.672 0.006 14 0 "[ . 1 . 2]" 1
466 1 32 LYS HG3 1 36 LEU HG 4.806 2.263 7.349 6.049 3.458 7.354 0.005 2 0 "[ . 1 . 2]" 1
467 1 32 LYS QZ 1 36 LEU MD1 5.106 2.332 7.879 5.595 4.178 7.453 . 0 0 "[ . 1 . 2]" 1
468 1 32 LYS QZ 1 36 LEU MD2 4.924 2.290 7.558 3.908 2.470 5.289 . 0 0 "[ . 1 . 2]" 1
469 1 33 PRO HA 1 34 GLN H 3.883 2.050 5.716 2.241 2.171 2.341 . 0 0 "[ . 1 . 2]" 1
470 1 33 PRO HA 1 34 GLN HB2 4.607 2.217 6.996 4.388 4.140 4.529 . 0 0 "[ . 1 . 2]" 1
471 1 33 PRO HA 1 35 GLU H 4.955 2.297 7.612 3.795 3.594 4.151 . 0 0 "[ . 1 . 2]" 1
472 1 33 PRO HB2 1 34 GLN H 4.430 2.176 6.683 3.142 2.823 3.492 . 0 0 "[ . 1 . 2]" 1
473 1 33 PRO HB2 1 35 GLU HG2 4.727 2.245 7.209 4.229 2.244 5.825 0.001 13 0 "[ . 1 . 2]" 1
474 1 33 PRO HB3 1 34 GLN H 4.613 2.218 7.008 3.746 3.514 3.924 . 0 0 "[ . 1 . 2]" 1
475 1 33 PRO HB3 1 35 GLU H 4.758 2.252 7.265 3.966 3.751 4.268 . 0 0 "[ . 1 . 2]" 1
476 1 33 PRO HB3 1 35 GLU HG2 4.611 2.218 7.004 5.550 3.362 7.007 0.003 12 0 "[ . 1 . 2]" 1
477 1 33 PRO HB3 1 36 LEU H 4.250 2.135 6.365 4.827 4.154 5.709 . 0 0 "[ . 1 . 2]" 1
478 1 33 PRO HD2 1 36 LEU MD2 4.637 2.224 7.051 2.770 2.223 3.662 0.001 7 0 "[ . 1 . 2]" 1
479 1 33 PRO HD3 1 36 LEU HB3 4.702 2.239 7.165 4.855 4.250 5.739 . 0 0 "[ . 1 . 2]" 1
480 1 33 PRO HD3 1 36 LEU MD2 4.594 2.214 6.975 4.133 3.586 5.036 . 0 0 "[ . 1 . 2]" 1
481 1 33 PRO HG2 1 36 LEU MD2 2.588 . 3.425 3.180 2.389 3.433 0.008 14 0 "[ . 1 . 2]" 1
482 1 33 PRO HG3 1 36 LEU MD2 4.663 2.230 7.097 3.961 3.089 4.498 . 0 0 "[ . 1 . 2]" 1
483 1 34 GLN H 1 35 GLU H 4.755 2.251 7.258 2.553 2.410 2.667 . 0 0 "[ . 1 . 2]" 1
484 1 34 GLN HA 1 35 GLU H 4.352 2.158 6.546 3.378 3.313 3.461 . 0 0 "[ . 1 . 2]" 1
485 1 34 GLN HA 1 37 LYS HB3 4.785 2.258 7.312 4.732 2.783 6.504 . 0 0 "[ . 1 . 2]" 1
486 1 34 GLN HA 1 37 LYS HD2 4.738 2.247 7.228 6.084 2.839 7.055 . 0 0 "[ . 1 . 2]" 1
487 1 34 GLN HA 1 37 LYS HG2 4.787 2.259 7.316 5.049 2.331 6.667 . 0 0 "[ . 1 . 2]" 1
488 1 34 GLN HA 1 37 LYS HG3 4.908 2.286 7.530 5.037 2.284 6.555 0.003 3 0 "[ . 1 . 2]" 1
489 1 34 GLN HB2 1 35 GLU H 4.472 2.186 6.759 4.142 4.005 4.359 . 0 0 "[ . 1 . 2]" 1
490 1 34 GLN HB3 1 35 GLU H 4.433 2.177 6.689 3.276 3.049 3.508 . 0 0 "[ . 1 . 2]" 1
491 1 34 GLN HE22 1 37 LYS HG2 4.922 2.290 7.554 5.865 3.037 7.567 0.013 16 0 "[ . 1 . 2]" 1
492 1 34 GLN HG2 1 35 GLU H 4.779 2.257 7.301 5.172 4.356 5.573 . 0 0 "[ . 1 . 2]" 1
493 1 35 GLU H 1 36 LEU H 4.606 2.217 6.995 2.432 2.235 2.754 . 0 0 "[ . 1 . 2]" 1
494 1 35 GLU HA 1 36 LEU H 4.384 2.165 6.602 3.364 3.098 3.461 . 0 0 "[ . 1 . 2]" 1
495 1 35 GLU HA 1 37 LYS H 4.549 2.204 6.895 4.439 3.573 5.399 . 0 0 "[ . 1 . 2]" 1
496 1 35 GLU HB2 1 36 LEU H 4.841 2.271 7.410 3.702 2.922 4.295 . 0 0 "[ . 1 . 2]" 1
497 1 35 GLU HB3 1 36 LEU H 4.504 2.193 6.814 3.905 2.906 4.448 . 0 0 "[ . 1 . 2]" 1
498 1 35 GLU HG2 1 36 LEU H 4.668 2.231 7.104 4.605 3.527 5.825 . 0 0 "[ . 1 . 2]" 1
499 1 35 GLU HG2 1 36 LEU MD1 5.015 2.311 7.718 6.476 4.828 7.511 . 0 0 "[ . 1 . 2]" 1
500 1 35 GLU HG3 1 36 LEU H 4.640 2.225 7.056 4.518 3.055 5.290 . 0 0 "[ . 1 . 2]" 1
501 1 36 LEU H 1 37 LYS H 4.230 2.130 6.330 2.273 2.124 2.569 0.006 4 0 "[ . 1 . 2]" 1
502 1 36 LEU HA 1 37 LYS H 4.155 2.113 6.196 3.497 3.460 3.577 . 0 0 "[ . 1 . 2]" 1
503 1 36 LEU HB2 1 37 LYS H 4.633 2.223 7.043 3.921 3.659 4.089 . 0 0 "[ . 1 . 2]" 1
504 1 36 LEU HB3 1 37 LYS H 4.416 2.173 6.659 2.701 2.167 2.938 0.006 18 0 "[ . 1 . 2]" 1
505 1 36 LEU MD1 1 37 LYS H 5.089 2.328 7.849 4.486 4.100 4.693 . 0 0 "[ . 1 . 2]" 1
506 1 36 LEU MD2 1 37 LYS H 5.133 2.338 7.928 4.388 3.679 4.695 . 0 0 "[ . 1 . 2]" 1
507 1 36 LEU HG 1 37 LYS H 4.516 2.196 6.836 3.865 3.037 4.271 . 0 0 "[ . 1 . 2]" 1
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