NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
615762 |
5nhq   |
34116 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5nhq
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 529
_Distance_constraint_stats_list.Viol_count 741
_Distance_constraint_stats_list.Viol_total 1184.470
_Distance_constraint_stats_list.Viol_max 0.938
_Distance_constraint_stats_list.Viol_rms 0.0703
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0155
_Distance_constraint_stats_list.Viol_average_violations_only 0.1332
_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 MET 0.000 0.000 . 0 "[ . 1 ]"
1 2 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 4 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 5 GLN 0.010 0.010 3 0 "[ . 1 ]"
1 6 LEU 0.149 0.074 4 0 "[ . 1 ]"
1 7 SER 0.000 0.000 . 0 "[ . 1 ]"
1 8 ARG 0.758 0.147 7 0 "[ . 1 ]"
1 9 LYS 0.918 0.147 7 0 "[ . 1 ]"
1 10 ALA 0.042 0.039 6 0 "[ . 1 ]"
1 11 SER 0.810 0.269 10 0 "[ . 1 ]"
1 12 VAL 5.125 0.730 1 5 "[+ * . -*1 *]"
1 13 LYS 1.527 0.190 9 0 "[ . 1 ]"
1 14 VAL 5.272 0.790 1 5 "[+ *. **- ]"
1 15 SER 1.307 0.436 7 0 "[ . 1 ]"
1 16 LYS 0.262 0.104 6 0 "[ . 1 ]"
1 17 THR 2.735 0.188 12 0 "[ . 1 ]"
1 18 TRP 1.004 0.124 2 0 "[ . 1 ]"
1 19 SER 1.388 0.188 12 0 "[ . 1 ]"
1 20 GLY 0.648 0.120 8 0 "[ . 1 ]"
1 21 THR 1.528 0.187 10 0 "[ . 1 ]"
1 22 LYS 1.112 0.291 10 0 "[ . 1 ]"
1 23 LYS 1.606 0.125 4 0 "[ . 1 ]"
1 24 ARG 0.922 0.132 3 0 "[ . 1 ]"
1 25 ALA 0.286 0.096 10 0 "[ . 1 ]"
1 26 GLN 0.430 0.236 9 0 "[ . 1 ]"
1 27 ARG 2.858 0.724 8 3 "[ .- + * ]"
1 28 ILE 0.787 0.096 10 0 "[ . 1 ]"
1 29 LEU 5.354 0.591 3 3 "[ -+ .* 1 ]"
1 30 ILE 0.647 0.194 4 0 "[ . 1 ]"
1 31 PHE 2.585 0.293 12 0 "[ . 1 ]"
1 32 LEU 8.695 0.629 4 5 "[ +.- ** *]"
1 33 LEU 1.530 0.154 3 0 "[ . 1 ]"
1 34 GLU 3.757 0.154 3 0 "[ . 1 ]"
1 35 PHE 2.266 0.273 1 0 "[ . 1 ]"
1 36 LEU 3.184 0.606 8 2 "[ - + 1 ]"
1 37 LEU 7.116 0.606 8 7 "[ -* +****]"
1 38 ASP 2.768 0.398 2 0 "[ . 1 ]"
1 39 PHE 6.057 0.398 2 0 "[ . 1 ]"
1 40 CYS 2.020 0.301 2 0 "[ . 1 ]"
1 41 THR 0.894 0.119 2 0 "[ . 1 ]"
1 42 GLY 0.374 0.119 2 0 "[ . 1 ]"
1 43 GLU 8.606 0.938 3 8 "[**+*.**- * ]"
1 44 ASP 7.287 0.938 3 8 "[**+*.**- * ]"
1 45 SER 1.281 0.341 9 0 "[ . 1 ]"
1 46 VAL 0.603 0.089 2 0 "[ . 1 ]"
1 47 ASP 1.174 0.151 10 0 "[ . 1 ]"
1 48 GLY 1.721 0.244 10 0 "[ . 1 ]"
1 49 LYS 1.500 0.244 10 0 "[ . 1 ]"
1 50 LYS 3.169 0.935 10 1 "[ . + ]"
1 51 ARG 1.794 0.420 10 0 "[ . 1 ]"
1 52 GLN 1.834 0.371 3 0 "[ . 1 ]"
1 53 ARG 1.530 0.371 3 0 "[ . 1 ]"
1 54 HIS 1.773 0.259 4 0 "[ . 1 ]"
1 55 SER 0.774 0.259 4 0 "[ . 1 ]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 57 LEU 2.211 0.496 8 0 "[ . 1 ]"
1 58 THR 1.908 0.489 2 0 "[ . 1 ]"
1 59 GLU 0.358 0.109 10 0 "[ . 1 ]"
1 60 GLN 3.047 0.495 8 0 "[ . 1 ]"
1 61 THR 1.492 0.147 12 0 "[ . 1 ]"
1 62 TYR 2.134 0.400 5 0 "[ . 1 ]"
1 63 SER 1.983 0.458 8 0 "[ . 1 ]"
1 64 ALA 1.228 0.164 1 0 "[ . 1 ]"
1 65 LEU 6.749 0.741 5 4 "[-* +* 1 ]"
1 66 PRO 3.194 0.338 3 0 "[ . 1 ]"
1 67 GLU 0.165 0.110 6 0 "[ . 1 ]"
1 68 PRO 0.010 0.010 12 0 "[ . 1 ]"
1 69 LYS 4.071 0.592 4 1 "[ +. 1 ]"
1 70 ALA 0.853 0.127 9 0 "[ . 1 ]"
1 71 THR 0.255 0.127 9 0 "[ . 1 ]"
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 MET HA 1 2 VAL H 2.736 . 3.672 2.533 2.121 3.571 . 0 0 "[ . 1 ]" 1
2 1 2 VAL H 1 2 VAL HA 2.619 . 3.476 2.798 2.266 2.944 . 0 0 "[ . 1 ]" 1
3 1 4 ARG H 1 4 ARG QB 2.973 . 4.078 2.688 2.336 3.171 . 0 0 "[ . 1 ]" 1
4 1 4 ARG HA 1 5 GLN H 2.761 . 3.714 2.770 2.135 3.574 . 0 0 "[ . 1 ]" 1
5 1 5 GLN H 1 5 GLN HA 2.398 . 3.117 2.789 2.253 2.945 . 0 0 "[ . 1 ]" 1
6 1 5 GLN H 1 5 GLN HB2 2.899 . 3.950 3.077 2.364 3.904 . 0 0 "[ . 1 ]" 1
7 1 5 GLN H 1 5 GLN HB3 2.967 . 4.067 3.426 2.620 4.077 0.010 3 0 "[ . 1 ]" 1
8 1 5 GLN H 1 5 GLN QG 2.902 . 3.955 2.614 1.996 3.936 . 0 0 "[ . 1 ]" 1
9 1 5 GLN HA 1 5 GLN HB2 2.828 . 3.828 2.793 2.442 3.025 . 0 0 "[ . 1 ]" 1
10 1 5 GLN HA 1 5 GLN QG 2.751 . 3.697 2.772 2.293 3.348 . 0 0 "[ . 1 ]" 1
11 1 6 LEU H 1 6 LEU HA 2.402 . 3.123 2.899 2.815 2.948 . 0 0 "[ . 1 ]" 1
12 1 6 LEU H 1 6 LEU MD2 3.260 . 4.588 3.149 1.942 4.315 . 0 0 "[ . 1 ]" 1
13 1 6 LEU H 1 6 LEU HG 3.110 . 4.319 3.361 1.897 4.393 0.074 4 0 "[ . 1 ]" 1
14 1 6 LEU HA 1 7 SER H 3.007 . 4.137 2.962 2.221 3.465 . 0 0 "[ . 1 ]" 1
15 1 6 LEU HA 1 9 LYS H 3.085 . 4.275 3.662 3.105 4.256 . 0 0 "[ . 1 ]" 1
16 1 7 SER H 1 7 SER HA 2.985 . 4.099 2.815 2.249 2.940 . 0 0 "[ . 1 ]" 1
17 1 7 SER H 1 7 SER QB 3.053 . 4.218 2.560 2.260 2.991 . 0 0 "[ . 1 ]" 1
18 1 8 ARG H 1 8 ARG HA 2.374 . 3.079 2.859 2.773 2.941 . 0 0 "[ . 1 ]" 1
19 1 8 ARG H 1 8 ARG QB 2.690 . 3.594 2.684 2.446 3.401 . 0 0 "[ . 1 ]" 1
20 1 8 ARG H 1 8 ARG HG3 2.707 . 3.623 3.169 2.698 3.540 . 0 0 "[ . 1 ]" 1
21 1 8 ARG HA 1 8 ARG HB3 2.340 . 3.025 2.431 2.392 2.502 . 0 0 "[ . 1 ]" 1
22 1 8 ARG HA 1 8 ARG QG 2.821 . 3.816 3.355 3.328 3.430 . 0 0 "[ . 1 ]" 1
23 1 8 ARG HA 1 9 LYS H 3.015 . 4.151 3.433 3.359 3.497 . 0 0 "[ . 1 ]" 1
24 1 8 ARG HA 1 11 SER H 2.876 . 3.910 3.554 2.907 3.948 0.038 9 0 "[ . 1 ]" 1
25 1 8 ARG QB 1 8 ARG HG3 2.289 . 2.944 2.343 2.297 2.465 . 0 0 "[ . 1 ]" 1
26 1 8 ARG QB 1 9 LYS H 2.681 . 3.579 3.630 3.520 3.726 0.147 7 0 "[ . 1 ]" 1
27 1 8 ARG HB3 1 8 ARG QD 2.730 . 3.662 2.626 2.306 3.246 . 0 0 "[ . 1 ]" 1
28 1 8 ARG QD 1 8 ARG HG3 2.496 . 3.275 2.289 2.170 2.374 . 0 0 "[ . 1 ]" 1
29 1 8 ARG HG3 1 9 LYS H 2.552 . 3.366 2.818 2.490 3.111 . 0 0 "[ . 1 ]" 1
30 1 9 LYS H 1 9 LYS HA 2.587 . 3.423 2.868 2.791 2.916 . 0 0 "[ . 1 ]" 1
31 1 9 LYS H 1 9 LYS QD 3.078 . 4.262 3.894 3.661 4.324 0.062 12 0 "[ . 1 ]" 1
32 1 9 LYS H 1 9 LYS QG 2.438 . 3.181 2.343 1.968 2.578 . 0 0 "[ . 1 ]" 1
33 1 9 LYS H 1 10 ALA H 2.769 . 3.728 2.601 2.156 3.730 0.002 6 0 "[ . 1 ]" 1
34 1 9 LYS HA 1 9 LYS QB 2.305 . 2.969 2.314 2.171 2.412 . 0 0 "[ . 1 ]" 1
35 1 9 LYS HA 1 9 LYS QG 2.518 . 3.311 2.761 2.349 3.346 0.035 11 0 "[ . 1 ]" 1
36 1 9 LYS HA 1 10 ALA H 3.001 . 4.127 3.263 2.398 3.492 . 0 0 "[ . 1 ]" 1
37 1 9 LYS HA 1 12 VAL HB 2.821 . 3.816 3.201 2.327 3.842 0.026 8 0 "[ . 1 ]" 1
38 1 9 LYS QB 1 9 LYS QD 2.268 . 2.911 2.184 2.103 2.328 . 0 0 "[ . 1 ]" 1
39 1 9 LYS QB 1 9 LYS QE 2.870 . 3.900 3.226 1.948 3.710 . 0 0 "[ . 1 ]" 1
40 1 9 LYS QB 1 9 LYS QG 2.358 . 3.053 2.079 1.995 2.088 . 0 0 "[ . 1 ]" 1
41 1 9 LYS QB 1 10 ALA H 2.934 . 4.010 3.433 2.780 3.899 . 0 0 "[ . 1 ]" 1
42 1 9 LYS QD 1 9 LYS QE 3.006 . 4.136 2.027 1.995 2.089 . 0 0 "[ . 1 ]" 1
43 1 9 LYS QE 1 9 LYS QG 2.894 . 3.941 2.333 2.118 2.742 . 0 0 "[ . 1 ]" 1
44 1 10 ALA H 1 10 ALA HA 2.566 . 3.389 2.899 2.828 2.949 . 0 0 "[ . 1 ]" 1
45 1 10 ALA H 1 10 ALA MB 2.274 . 2.920 2.361 2.242 2.846 . 0 0 "[ . 1 ]" 1
46 1 10 ALA H 1 11 SER H 2.776 . 3.740 2.267 1.773 2.545 0.039 6 0 "[ . 1 ]" 1
47 1 10 ALA HA 1 10 ALA MB 2.137 . 2.708 2.130 2.126 2.137 . 0 0 "[ . 1 ]" 1
48 1 10 ALA HA 1 11 SER H 2.916 . 3.979 3.461 3.313 3.564 . 0 0 "[ . 1 ]" 1
49 1 10 ALA MB 1 11 SER H 2.692 . 3.598 2.737 2.089 3.239 . 0 0 "[ . 1 ]" 1
50 1 11 SER H 1 11 SER HA 2.231 . 2.853 2.888 2.832 2.929 0.076 8 0 "[ . 1 ]" 1
51 1 11 SER H 1 11 SER HB2 2.429 . 3.166 2.754 2.492 3.435 0.269 10 0 "[ . 1 ]" 1
52 1 11 SER H 1 11 SER HB3 3.058 . 4.227 3.271 2.466 3.919 . 0 0 "[ . 1 ]" 1
53 1 11 SER H 1 12 VAL H 2.796 . 3.773 2.700 2.224 3.433 . 0 0 "[ . 1 ]" 1
54 1 11 SER HA 1 12 VAL H 2.982 . 4.094 2.999 2.505 3.572 . 0 0 "[ . 1 ]" 1
55 1 12 VAL H 1 12 VAL HA 2.570 . 3.396 2.906 2.850 2.943 . 0 0 "[ . 1 ]" 1
56 1 12 VAL H 1 12 VAL HB 2.486 . 3.258 2.721 2.494 2.996 . 0 0 "[ . 1 ]" 1
57 1 12 VAL H 1 12 VAL MG1 2.394 . 3.110 2.749 1.875 3.840 0.730 1 5 "[+ * . -*1 *]" 1
58 1 12 VAL H 1 12 VAL MG2 2.862 . 3.886 3.190 2.073 3.875 . 0 0 "[ . 1 ]" 1
59 1 12 VAL HA 1 12 VAL HB 2.711 . 3.629 2.680 2.378 3.028 . 0 0 "[ . 1 ]" 1
60 1 12 VAL HA 1 12 VAL MG1 2.400 . 3.120 2.858 2.340 3.208 0.088 10 0 "[ . 1 ]" 1
61 1 12 VAL HA 1 12 VAL MG2 2.107 . 2.662 2.392 2.293 2.459 . 0 0 "[ . 1 ]" 1
62 1 12 VAL HA 1 13 LYS H 2.859 . 3.880 2.711 2.062 3.567 . 0 0 "[ . 1 ]" 1
63 1 12 VAL HB 1 12 VAL MG1 2.294 . 2.952 2.124 2.119 2.130 . 0 0 "[ . 1 ]" 1
64 1 12 VAL HB 1 12 VAL MG2 2.286 . 2.939 2.126 2.121 2.129 . 0 0 "[ . 1 ]" 1
65 1 12 VAL HB 1 13 LYS H 2.917 . 3.980 3.732 2.016 4.170 0.190 9 0 "[ . 1 ]" 1
66 1 12 VAL MG1 1 12 VAL MG2 2.936 . 4.014 2.088 2.082 2.093 . 0 0 "[ . 1 ]" 1
67 1 12 VAL MG1 1 13 LYS H 2.924 . 3.993 3.027 1.843 4.017 0.024 5 0 "[ . 1 ]" 1
68 1 12 VAL MG2 1 13 LYS H 2.927 . 3.998 3.355 2.317 4.111 0.113 9 0 "[ . 1 ]" 1
69 1 13 LYS H 1 13 LYS HA 2.660 . 3.544 2.813 2.257 2.947 . 0 0 "[ . 1 ]" 1
70 1 13 LYS H 1 13 LYS HB2 2.759 . 3.711 3.091 2.477 3.895 0.184 10 0 "[ . 1 ]" 1
71 1 13 LYS H 1 13 LYS HB3 2.758 . 3.709 2.985 2.444 3.727 0.018 9 0 "[ . 1 ]" 1
72 1 13 LYS H 1 13 LYS QG 2.984 . 4.097 3.452 2.015 4.185 0.088 3 0 "[ . 1 ]" 1
73 1 13 LYS H 1 14 VAL H 2.458 . 3.213 2.235 1.841 3.288 0.075 10 0 "[ . 1 ]" 1
74 1 13 LYS QE 1 13 LYS QG 2.706 . 3.621 2.322 2.129 2.739 . 0 0 "[ . 1 ]" 1
75 1 14 VAL H 1 14 VAL HA 2.714 . 3.635 2.779 2.245 2.951 . 0 0 "[ . 1 ]" 1
76 1 14 VAL H 1 14 VAL MG1 2.462 . 3.220 3.139 2.035 4.010 0.790 1 5 "[+ *. **- ]" 1
77 1 14 VAL H 1 14 VAL MG2 2.862 . 3.886 2.738 1.843 4.045 0.159 8 0 "[ . 1 ]" 1
78 1 14 VAL H 1 15 SER H 3.175 . 4.435 3.871 1.904 4.511 0.076 6 0 "[ . 1 ]" 1
79 1 14 VAL HA 1 14 VAL HB 2.710 . 3.628 2.710 2.407 3.027 . 0 0 "[ . 1 ]" 1
80 1 14 VAL HA 1 14 VAL MG1 2.400 . 3.120 2.557 2.141 3.209 0.089 5 0 "[ . 1 ]" 1
81 1 14 VAL HA 1 14 VAL MG2 2.530 . 3.330 2.650 2.273 3.213 . 0 0 "[ . 1 ]" 1
82 1 14 VAL HA 1 15 SER H 2.656 . 3.538 2.662 2.134 3.570 0.032 9 0 "[ . 1 ]" 1
83 1 14 VAL HB 1 14 VAL MG1 2.352 . 3.044 2.127 2.121 2.131 . 0 0 "[ . 1 ]" 1
84 1 14 VAL HB 1 14 VAL MG2 2.268 . 2.911 2.128 2.123 2.135 . 0 0 "[ . 1 ]" 1
85 1 14 VAL MG1 1 14 VAL MG2 2.387 . 3.099 2.085 2.071 2.100 . 0 0 "[ . 1 ]" 1
86 1 14 VAL MG1 1 15 SER H 3.139 . 4.371 3.495 2.639 4.077 . 0 0 "[ . 1 ]" 1
87 1 14 VAL MG2 1 15 SER H 2.836 . 3.842 3.363 2.073 4.278 0.436 7 0 "[ . 1 ]" 1
88 1 15 SER H 1 15 SER HA 2.531 . 3.332 2.637 2.253 2.945 . 0 0 "[ . 1 ]" 1
89 1 15 SER HA 1 16 LYS H 2.363 . 3.061 2.502 2.115 3.029 . 0 0 "[ . 1 ]" 1
90 1 16 LYS H 1 16 LYS HA 2.749 . 3.693 2.844 2.252 2.947 . 0 0 "[ . 1 ]" 1
91 1 16 LYS H 1 17 THR H 3.110 . 4.319 3.413 1.954 4.423 0.104 6 0 "[ . 1 ]" 1
92 1 16 LYS HA 1 17 THR H 2.528 . 3.327 2.598 2.222 3.404 0.077 12 0 "[ . 1 ]" 1
93 1 17 THR H 1 17 THR HA 2.208 . 2.818 2.830 2.256 2.930 0.112 10 0 "[ . 1 ]" 1
94 1 17 THR H 1 17 THR HB 2.630 . 3.495 3.043 2.476 3.607 0.112 6 0 "[ . 1 ]" 1
95 1 17 THR H 1 17 THR MG 2.861 . 3.884 3.145 2.072 3.945 0.061 9 0 "[ . 1 ]" 1
96 1 17 THR H 1 19 SER H 2.688 . 3.591 3.281 2.092 3.779 0.188 12 0 "[ . 1 ]" 1
97 1 17 THR HA 1 17 THR MG 2.842 . 3.852 2.777 2.316 3.222 . 0 0 "[ . 1 ]" 1
98 1 17 THR HA 1 18 TRP H 2.592 . 3.432 3.138 2.168 3.534 0.102 1 0 "[ . 1 ]" 1
99 1 17 THR HB 1 17 THR MG 2.748 . 3.692 2.131 2.125 2.135 . 0 0 "[ . 1 ]" 1
100 1 17 THR MG 1 18 TRP H 2.997 . 4.120 2.682 1.984 4.068 . 0 0 "[ . 1 ]" 1
101 1 17 THR MG 1 19 SER H 3.009 . 4.141 3.809 2.656 4.315 0.174 1 0 "[ . 1 ]" 1
102 1 18 TRP H 1 18 TRP HA 2.457 . 3.212 2.799 2.258 2.942 . 0 0 "[ . 1 ]" 1
103 1 18 TRP H 1 18 TRP QB 2.535 . 3.338 2.588 2.243 3.370 0.032 9 0 "[ . 1 ]" 1
104 1 18 TRP H 1 19 SER H 3.141 . 4.374 2.470 1.906 3.469 0.002 1 0 "[ . 1 ]" 1
105 1 18 TRP HA 1 18 TRP QB 2.482 . 3.252 2.395 2.336 2.471 . 0 0 "[ . 1 ]" 1
106 1 18 TRP HA 1 18 TRP HE3 2.682 . 3.581 2.725 2.286 3.620 0.039 6 0 "[ . 1 ]" 1
107 1 18 TRP HA 1 19 SER H 2.654 . 3.535 3.063 2.554 3.331 . 0 0 "[ . 1 ]" 1
108 1 18 TRP HA 1 21 THR MG 2.819 . 3.812 3.146 1.915 3.911 0.099 6 0 "[ . 1 ]" 1
109 1 18 TRP QB 1 18 TRP HD1 2.323 . 2.998 2.537 2.494 2.665 . 0 0 "[ . 1 ]" 1
110 1 18 TRP QB 1 18 TRP HE3 2.683 . 3.583 2.765 2.488 2.906 . 0 0 "[ . 1 ]" 1
111 1 18 TRP QB 1 19 SER H 2.786 . 3.756 3.555 3.211 3.880 0.124 2 0 "[ . 1 ]" 1
112 1 18 TRP HE3 1 21 THR MG 3.043 . 4.201 3.145 2.100 4.270 0.069 12 0 "[ . 1 ]" 1
113 1 19 SER H 1 19 SER HA 2.483 . 3.254 2.772 2.255 2.934 . 0 0 "[ . 1 ]" 1
114 1 19 SER H 1 19 SER QB 2.809 . 3.796 2.752 2.487 3.372 . 0 0 "[ . 1 ]" 1
115 1 19 SER H 1 20 GLY H 3.017 . 4.155 3.452 2.436 4.260 0.105 11 0 "[ . 1 ]" 1
116 1 19 SER HA 1 20 GLY H 2.751 . 3.697 2.838 2.123 3.578 . 0 0 "[ . 1 ]" 1
117 1 20 GLY H 1 20 GLY QA 2.294 . 2.952 2.280 2.197 2.494 . 0 0 "[ . 1 ]" 1
118 1 20 GLY QA 1 21 THR H 2.526 . 3.324 2.650 2.087 2.879 . 0 0 "[ . 1 ]" 1
119 1 20 GLY QA 1 23 LYS H 3.058 . 4.227 3.893 3.288 4.347 0.120 8 0 "[ . 1 ]" 1
120 1 21 THR H 1 21 THR HA 2.569 . 3.394 2.707 2.227 2.946 . 0 0 "[ . 1 ]" 1
121 1 21 THR H 1 21 THR HB 2.578 . 3.409 2.915 2.497 3.596 0.187 10 0 "[ . 1 ]" 1
122 1 21 THR H 1 21 THR MG 2.861 . 3.884 2.659 1.876 3.740 . 0 0 "[ . 1 ]" 1
123 1 21 THR H 1 22 LYS H 2.978 . 4.086 2.689 1.864 4.204 0.118 9 0 "[ . 1 ]" 1
124 1 21 THR HA 1 21 THR HB 2.507 . 3.293 2.529 2.266 3.024 . 0 0 "[ . 1 ]" 1
125 1 21 THR HA 1 21 THR MG 2.618 . 3.475 2.999 2.354 3.236 . 0 0 "[ . 1 ]" 1
126 1 21 THR HA 1 22 LYS H 3.015 . 4.151 3.359 2.706 3.578 . 0 0 "[ . 1 ]" 1
127 1 21 THR HA 1 24 ARG H 3.162 . 4.412 4.148 3.377 4.542 0.130 12 0 "[ . 1 ]" 1
128 1 21 THR HB 1 21 THR MG 2.174 . 2.765 2.131 2.125 2.135 . 0 0 "[ . 1 ]" 1
129 1 21 THR MG 1 22 LYS H 3.117 . 4.332 2.883 1.810 4.212 0.092 9 0 "[ . 1 ]" 1
130 1 21 THR MG 1 23 LYS H 3.148 . 4.387 4.062 2.124 4.512 0.125 4 0 "[ . 1 ]" 1
131 1 22 LYS H 1 22 LYS HA 2.745 . 3.687 2.707 2.261 2.899 . 0 0 "[ . 1 ]" 1
132 1 22 LYS H 1 22 LYS HB3 2.787 . 3.758 3.271 2.465 4.049 0.291 10 0 "[ . 1 ]" 1
133 1 22 LYS H 1 22 LYS HG3 3.165 . 4.417 3.723 2.215 4.581 0.164 1 0 "[ . 1 ]" 1
134 1 23 LYS H 1 23 LYS HA 2.214 . 2.827 2.630 2.250 2.935 0.108 1 0 "[ . 1 ]" 1
135 1 23 LYS H 1 23 LYS QB 2.910 . 3.969 2.771 2.235 3.403 . 0 0 "[ . 1 ]" 1
136 1 23 LYS H 1 23 LYS QG 3.139 . 4.371 3.219 2.248 4.487 0.116 2 0 "[ . 1 ]" 1
137 1 23 LYS HA 1 26 GLN QB 2.952 . 4.041 3.703 2.543 4.039 . 0 0 "[ . 1 ]" 1
138 1 23 LYS QB 1 24 ARG H 2.934 . 4.010 3.280 2.422 4.055 0.045 10 0 "[ . 1 ]" 1
139 1 24 ARG H 1 24 ARG HA 2.425 . 3.160 2.867 2.821 2.942 . 0 0 "[ . 1 ]" 1
140 1 24 ARG H 1 24 ARG QD 3.051 . 4.215 4.074 3.614 4.347 0.132 3 0 "[ . 1 ]" 1
141 1 24 ARG H 1 25 ALA H 2.457 . 3.211 2.600 2.088 3.268 0.057 12 0 "[ . 1 ]" 1
142 1 24 ARG HA 1 25 ALA H 2.916 . 3.979 3.438 2.638 3.575 . 0 0 "[ . 1 ]" 1
143 1 24 ARG HA 1 27 ARG H 3.085 . 4.275 3.870 3.453 4.308 0.033 12 0 "[ . 1 ]" 1
144 1 25 ALA H 1 25 ALA HA 2.420 . 3.152 2.841 2.776 2.905 . 0 0 "[ . 1 ]" 1
145 1 25 ALA H 1 25 ALA MB 2.186 . 2.783 2.291 2.210 2.749 . 0 0 "[ . 1 ]" 1
146 1 25 ALA HA 1 25 ALA MB 1.997 . 2.496 2.126 2.112 2.134 . 0 0 "[ . 1 ]" 1
147 1 25 ALA HA 1 26 GLN H 2.838 . 3.844 3.438 3.023 3.579 . 0 0 "[ . 1 ]" 1
148 1 25 ALA HA 1 28 ILE H 2.876 . 3.910 3.623 2.942 4.006 0.096 10 0 "[ . 1 ]" 1
149 1 25 ALA MB 1 26 GLN H 2.692 . 3.598 2.831 2.196 3.579 . 0 0 "[ . 1 ]" 1
150 1 26 GLN H 1 26 GLN HA 2.411 . 3.138 2.844 2.788 2.934 . 0 0 "[ . 1 ]" 1
151 1 26 GLN H 1 26 GLN QB 2.899 . 3.950 2.508 2.293 3.023 . 0 0 "[ . 1 ]" 1
152 1 26 GLN H 1 26 GLN HG2 3.286 . 4.636 2.619 2.071 3.695 . 0 0 "[ . 1 ]" 1
153 1 26 GLN H 1 26 GLN HG3 2.651 . 3.530 3.173 2.106 3.766 0.236 9 0 "[ . 1 ]" 1
154 1 26 GLN H 1 27 ARG H 2.611 . 3.463 2.508 1.961 2.707 . 0 0 "[ . 1 ]" 1
155 1 26 GLN HA 1 26 GLN QB 2.601 . 3.447 2.249 2.173 2.431 . 0 0 "[ . 1 ]" 1
156 1 26 GLN HA 1 26 GLN HG2 2.835 . 3.840 3.408 2.354 3.964 0.124 5 0 "[ . 1 ]" 1
157 1 26 GLN HA 1 26 GLN HG3 3.028 . 4.174 3.549 2.939 3.786 . 0 0 "[ . 1 ]" 1
158 1 26 GLN HA 1 27 ARG H 2.875 . 3.908 3.460 3.262 3.562 . 0 0 "[ . 1 ]" 1
159 1 26 GLN QB 1 26 GLN HG3 3.086 . 4.088 2.327 2.158 2.469 . 0 0 "[ . 1 ]" 1
160 1 26 GLN HE21 1 26 GLN HG2 2.997 . 4.120 2.568 2.226 3.490 . 0 0 "[ . 1 ]" 1
161 1 26 GLN HE21 1 26 GLN HG3 2.934 . 4.010 3.033 2.245 3.501 . 0 0 "[ . 1 ]" 1
162 1 26 GLN HE22 1 26 GLN HG2 3.070 . 4.248 3.630 3.480 4.063 . 0 0 "[ . 1 ]" 1
163 1 27 ARG H 1 27 ARG HA 2.401 . 3.122 2.880 2.742 2.943 . 0 0 "[ . 1 ]" 1
164 1 27 ARG H 1 27 ARG HB2 2.301 . 2.963 2.827 2.274 3.687 0.724 8 3 "[ .- + * ]" 1
165 1 27 ARG H 1 27 ARG HB3 2.956 . 4.048 2.892 2.101 3.544 . 0 0 "[ . 1 ]" 1
166 1 27 ARG H 1 27 ARG QD 3.208 . 4.495 4.119 3.631 4.503 0.008 11 0 "[ . 1 ]" 1
167 1 27 ARG H 1 27 ARG HG3 2.968 . 4.069 3.360 2.223 4.471 0.402 4 0 "[ . 1 ]" 1
168 1 27 ARG H 1 28 ILE H 2.663 . 3.550 2.532 2.139 3.413 . 0 0 "[ . 1 ]" 1
169 1 27 ARG HA 1 27 ARG HB2 2.381 . 3.090 2.768 2.338 3.024 . 0 0 "[ . 1 ]" 1
170 1 27 ARG HA 1 27 ARG HB3 2.717 . 3.640 2.393 2.184 2.909 . 0 0 "[ . 1 ]" 1
171 1 27 ARG HA 1 27 ARG HG3 2.863 . 3.887 3.224 2.471 3.761 . 0 0 "[ . 1 ]" 1
172 1 27 ARG HB2 1 27 ARG QD 2.615 . 3.470 2.516 2.321 3.302 . 0 0 "[ . 1 ]" 1
173 1 27 ARG HB3 1 27 ARG QD 2.259 . 2.897 2.137 2.046 2.279 . 0 0 "[ . 1 ]" 1
174 1 27 ARG QD 1 27 ARG HG3 2.412 . 3.139 2.316 2.169 2.388 . 0 0 "[ . 1 ]" 1
175 1 27 ARG HE 1 27 ARG HG3 2.978 . 4.086 2.739 2.386 3.641 . 0 0 "[ . 1 ]" 1
176 1 28 ILE H 1 28 ILE HA 2.770 . 3.729 2.848 2.788 2.950 . 0 0 "[ . 1 ]" 1
177 1 28 ILE H 1 28 ILE HB 2.436 . 3.178 2.569 2.501 2.688 . 0 0 "[ . 1 ]" 1
178 1 28 ILE H 1 28 ILE MD 2.808 . 3.794 3.530 3.098 3.844 0.050 2 0 "[ . 1 ]" 1
179 1 28 ILE H 1 28 ILE QG 2.750 . 3.695 2.231 1.837 2.858 . 0 0 "[ . 1 ]" 1
180 1 28 ILE H 1 28 ILE MG 2.862 . 3.886 3.791 3.745 3.870 . 0 0 "[ . 1 ]" 1
181 1 28 ILE H 1 29 LEU H 2.896 . 3.944 2.506 1.932 2.807 . 0 0 "[ . 1 ]" 1
182 1 28 ILE HA 1 28 ILE HB 2.721 . 3.647 3.024 3.021 3.028 . 0 0 "[ . 1 ]" 1
183 1 28 ILE HA 1 28 ILE QG 2.547 . 3.358 2.628 2.370 2.970 . 0 0 "[ . 1 ]" 1
184 1 28 ILE HA 1 28 ILE MG 2.143 . 2.717 2.412 2.364 2.467 . 0 0 "[ . 1 ]" 1
185 1 28 ILE HA 1 29 LEU H 3.129 . 4.353 3.504 3.363 3.575 . 0 0 "[ . 1 ]" 1
186 1 28 ILE HA 1 31 PHE H 2.876 . 3.910 3.380 2.975 3.771 . 0 0 "[ . 1 ]" 1
187 1 28 ILE HA 1 31 PHE HB2 2.829 . 3.830 3.348 2.866 3.883 0.053 5 0 "[ . 1 ]" 1
188 1 28 ILE HA 1 31 PHE HB3 2.600 . 3.445 2.520 1.886 3.190 . 0 0 "[ . 1 ]" 1
189 1 28 ILE HB 1 28 ILE MD 2.434 . 3.175 2.772 2.414 3.233 0.058 5 0 "[ . 1 ]" 1
190 1 28 ILE HB 1 28 ILE MG 2.131 . 2.699 2.129 2.126 2.134 . 0 0 "[ . 1 ]" 1
191 1 28 ILE HB 1 29 LEU H 2.810 . 3.797 2.738 2.364 3.225 . 0 0 "[ . 1 ]" 1
192 1 28 ILE MD 1 28 ILE MG 2.220 . 2.836 1.940 1.885 1.986 . 0 0 "[ . 1 ]" 1
193 1 28 ILE QG 1 28 ILE MG 3.176 . 4.437 2.320 2.283 2.363 . 0 0 "[ . 1 ]" 1
194 1 28 ILE QG 1 29 LEU H 3.054 . 4.220 4.008 3.873 4.072 . 0 0 "[ . 1 ]" 1
195 1 28 ILE MG 1 29 LEU H 2.847 . 3.860 3.533 3.126 3.935 0.075 4 0 "[ . 1 ]" 1
196 1 28 ILE MG 1 32 LEU QB 2.426 . 3.162 2.875 2.321 3.216 0.054 7 0 "[ . 1 ]" 1
197 1 29 LEU H 1 29 LEU HA 2.616 . 3.471 2.778 2.705 2.829 . 0 0 "[ . 1 ]" 1
198 1 29 LEU H 1 29 LEU MD1 2.974 . 4.079 3.388 1.848 4.245 0.166 1 0 "[ . 1 ]" 1
199 1 29 LEU H 1 29 LEU MD2 2.684 . 3.585 3.281 1.764 4.176 0.591 3 3 "[ -+ .* 1 ]" 1
200 1 29 LEU HA 1 29 LEU QB 2.642 . 3.515 2.418 2.342 2.480 . 0 0 "[ . 1 ]" 1
201 1 29 LEU HA 1 29 LEU MD2 2.497 . 3.276 2.933 1.941 3.829 0.553 6 3 "[ -* .+ 1 ]" 1
202 1 29 LEU HA 1 32 LEU H 2.876 . 3.910 3.568 3.109 3.909 . 0 0 "[ . 1 ]" 1
203 1 29 LEU HA 1 32 LEU QB 2.517 . 3.309 2.714 2.054 3.148 . 0 0 "[ . 1 ]" 1
204 1 29 LEU QB 1 29 LEU MD1 2.746 . 3.688 2.242 2.090 2.364 . 0 0 "[ . 1 ]" 1
205 1 29 LEU QB 1 29 LEU MD2 2.269 . 2.912 2.215 2.073 2.367 . 0 0 "[ . 1 ]" 1
206 1 30 ILE H 1 30 ILE HA 2.615 . 3.470 2.840 2.786 2.901 . 0 0 "[ . 1 ]" 1
207 1 30 ILE H 1 30 ILE HB 2.436 . 3.178 2.479 2.298 2.563 . 0 0 "[ . 1 ]" 1
208 1 30 ILE H 1 30 ILE MD 2.917 . 3.981 2.791 1.889 4.175 0.194 4 0 "[ . 1 ]" 1
209 1 30 ILE H 1 30 ILE MG 2.862 . 3.886 3.609 1.969 3.781 . 0 0 "[ . 1 ]" 1
210 1 30 ILE H 1 31 PHE H 2.833 . 3.836 2.579 2.356 2.771 . 0 0 "[ . 1 ]" 1
211 1 30 ILE HA 1 30 ILE HB 2.757 . 3.707 2.973 2.453 3.029 . 0 0 "[ . 1 ]" 1
212 1 30 ILE HA 1 30 ILE MD 2.445 . 3.192 2.476 1.940 3.203 0.011 4 0 "[ . 1 ]" 1
213 1 30 ILE HA 1 30 ILE HG12 2.836 . 3.842 3.246 2.402 3.630 . 0 0 "[ . 1 ]" 1
214 1 30 ILE HA 1 30 ILE HG13 2.733 . 3.667 3.145 2.341 3.745 0.078 6 0 "[ . 1 ]" 1
215 1 30 ILE HA 1 30 ILE MG 2.605 . 3.453 2.536 2.386 3.224 . 0 0 "[ . 1 ]" 1
216 1 30 ILE HA 1 31 PHE H 3.034 . 4.185 3.535 3.505 3.554 . 0 0 "[ . 1 ]" 1
217 1 30 ILE HA 1 33 LEU H 2.876 . 3.910 3.411 3.200 3.771 . 0 0 "[ . 1 ]" 1
218 1 30 ILE HA 1 33 LEU QB 2.752 . 3.698 3.222 2.818 3.641 . 0 0 "[ . 1 ]" 1
219 1 30 ILE HA 1 34 GLU H 3.218 . 4.513 4.268 3.911 4.535 0.022 4 0 "[ . 1 ]" 1
220 1 30 ILE HB 1 31 PHE H 2.871 . 3.901 2.728 2.547 3.928 0.027 4 0 "[ . 1 ]" 1
221 1 30 ILE MD 1 31 PHE H 3.278 . 4.621 4.220 3.317 4.646 0.025 5 0 "[ . 1 ]" 1
222 1 30 ILE MG 1 31 PHE H 2.759 . 3.711 3.197 2.125 3.544 . 0 0 "[ . 1 ]" 1
223 1 31 PHE H 1 31 PHE HA 2.450 . 3.200 2.808 2.777 2.833 . 0 0 "[ . 1 ]" 1
224 1 31 PHE H 1 31 PHE HB2 2.485 . 3.257 2.496 2.314 2.562 . 0 0 "[ . 1 ]" 1
225 1 31 PHE H 1 31 PHE HB3 2.515 . 3.305 2.547 2.476 2.768 . 0 0 "[ . 1 ]" 1
226 1 31 PHE H 1 32 LEU H 2.671 . 3.563 2.658 2.506 2.768 . 0 0 "[ . 1 ]" 1
227 1 31 PHE HA 1 31 PHE HB2 2.514 . 3.304 2.477 2.428 2.584 . 0 0 "[ . 1 ]" 1
228 1 31 PHE HA 1 31 PHE HB3 2.409 . 3.134 3.027 3.017 3.033 . 0 0 "[ . 1 ]" 1
229 1 31 PHE HA 1 32 LEU H 2.874 . 3.907 3.518 3.488 3.555 . 0 0 "[ . 1 ]" 1
230 1 31 PHE HB2 1 32 LEU H 2.726 . 3.655 3.860 3.685 3.948 0.293 12 0 "[ . 1 ]" 1
231 1 31 PHE HB3 1 32 LEU H 2.871 . 3.901 2.617 2.293 2.779 . 0 0 "[ . 1 ]" 1
232 1 32 LEU H 1 32 LEU HA 2.290 . 2.945 2.823 2.783 2.885 . 0 0 "[ . 1 ]" 1
233 1 32 LEU H 1 32 LEU QB 2.729 . 3.660 2.191 2.028 2.354 . 0 0 "[ . 1 ]" 1
234 1 32 LEU H 1 32 LEU MD2 2.369 . 3.071 2.961 2.153 3.642 0.571 12 2 "[ . - +]" 1
235 1 32 LEU H 1 32 LEU MD2 2.684 . 3.585 3.078 2.219 3.639 0.054 4 0 "[ . 1 ]" 1
236 1 32 LEU H 1 34 GLU H 2.707 . 3.623 3.640 3.543 3.711 0.088 12 0 "[ . 1 ]" 1
237 1 32 LEU HA 1 32 LEU QB 3.015 . 4.152 2.421 2.324 2.533 . 0 0 "[ . 1 ]" 1
238 1 32 LEU HA 1 32 LEU MD2 2.490 . 3.265 3.075 1.902 3.894 0.629 4 5 "[ +.- ** *]" 1
239 1 32 LEU HA 1 32 LEU HG 2.868 . 3.896 3.030 2.447 3.698 . 0 0 "[ . 1 ]" 1
240 1 32 LEU HA 1 35 PHE H 2.848 . 3.862 3.453 3.263 3.730 . 0 0 "[ . 1 ]" 1
241 1 32 LEU HA 1 35 PHE HB2 2.509 . 3.296 3.168 2.602 3.567 0.271 6 0 "[ . 1 ]" 1
242 1 32 LEU HA 1 35 PHE HB3 2.802 . 3.783 2.455 2.138 2.984 . 0 0 "[ . 1 ]" 1
243 1 33 LEU H 1 33 LEU QB 2.770 . 3.729 2.478 2.394 2.598 . 0 0 "[ . 1 ]" 1
244 1 33 LEU H 1 33 LEU HG 2.581 . 3.414 2.317 1.981 2.519 . 0 0 "[ . 1 ]" 1
245 1 33 LEU H 1 34 GLU H 2.678 . 3.574 2.785 2.452 3.023 . 0 0 "[ . 1 ]" 1
246 1 33 LEU HA 1 33 LEU QB 2.638 . 3.508 2.281 2.154 2.418 . 0 0 "[ . 1 ]" 1
247 1 33 LEU HA 1 34 GLU H 2.885 . 3.925 3.531 3.496 3.544 . 0 0 "[ . 1 ]" 1
248 1 33 LEU QB 1 34 GLU H 2.827 . 3.826 2.643 1.983 3.514 . 0 0 "[ . 1 ]" 1
249 1 33 LEU MD1 1 34 GLU H 2.901 . 3.953 3.442 2.505 4.049 0.096 2 0 "[ . 1 ]" 1
250 1 33 LEU MD2 1 34 GLU H 3.091 . 4.286 4.210 3.829 4.440 0.154 3 0 "[ . 1 ]" 1
251 1 34 GLU H 1 34 GLU HA 2.447 . 3.195 2.814 2.779 2.866 . 0 0 "[ . 1 ]" 1
252 1 34 GLU H 1 34 GLU HB2 2.629 . 3.493 3.347 2.598 3.605 0.112 12 0 "[ . 1 ]" 1
253 1 34 GLU H 1 34 GLU HB3 2.631 . 3.496 2.896 2.632 3.588 0.092 11 0 "[ . 1 ]" 1
254 1 34 GLU H 1 34 GLU HG2 2.651 . 3.530 2.307 1.913 3.165 . 0 0 "[ . 1 ]" 1
255 1 34 GLU HA 1 34 GLU HB2 2.915 . 3.977 2.618 2.447 3.022 . 0 0 "[ . 1 ]" 1
256 1 34 GLU HA 1 34 GLU HG2 3.070 . 4.248 3.478 2.618 3.829 . 0 0 "[ . 1 ]" 1
257 1 34 GLU HA 1 35 PHE H 2.655 . 3.536 3.496 3.474 3.514 . 0 0 "[ . 1 ]" 1
258 1 34 GLU HA 1 37 LEU H 2.904 . 3.958 3.376 3.060 3.782 . 0 0 "[ . 1 ]" 1
259 1 34 GLU HA 1 37 LEU QB 2.628 . 3.491 2.615 2.177 2.965 . 0 0 "[ . 1 ]" 1
260 1 34 GLU HB2 1 35 PHE H 2.762 . 3.716 3.472 2.466 3.838 0.122 1 0 "[ . 1 ]" 1
261 1 34 GLU HB3 1 34 GLU HG2 2.639 . 3.510 2.412 2.336 2.473 . 0 0 "[ . 1 ]" 1
262 1 34 GLU HB3 1 35 PHE H 3.048 . 4.209 3.997 3.673 4.145 . 0 0 "[ . 1 ]" 1
263 1 34 GLU HG3 1 35 PHE H 2.881 . 3.918 2.730 2.164 3.981 0.063 11 0 "[ . 1 ]" 1
264 1 35 PHE H 1 35 PHE HA 2.316 . 2.987 2.813 2.766 2.846 . 0 0 "[ . 1 ]" 1
265 1 35 PHE H 1 35 PHE HB2 2.616 . 3.471 2.524 2.455 2.649 . 0 0 "[ . 1 ]" 1
266 1 35 PHE H 1 35 PHE HB3 2.554 . 3.370 2.548 2.417 2.632 . 0 0 "[ . 1 ]" 1
267 1 35 PHE H 1 36 LEU H 2.796 . 3.773 2.698 2.551 2.829 . 0 0 "[ . 1 ]" 1
268 1 35 PHE H 1 37 LEU H 2.936 . 4.013 4.023 3.931 4.112 0.099 8 0 "[ . 1 ]" 1
269 1 35 PHE HA 1 35 PHE HB2 2.566 . 3.389 2.472 2.418 2.529 . 0 0 "[ . 1 ]" 1
270 1 35 PHE HA 1 35 PHE HB3 2.527 . 3.325 3.027 3.023 3.031 . 0 0 "[ . 1 ]" 1
271 1 35 PHE HA 1 35 PHE QD 2.259 . 2.897 2.732 2.587 2.899 0.002 8 0 "[ . 1 ]" 1
272 1 35 PHE HA 1 36 LEU H 3.017 . 4.155 3.548 3.522 3.571 . 0 0 "[ . 1 ]" 1
273 1 35 PHE HA 1 38 ASP HB3 3.109 . 4.318 3.108 2.585 4.591 0.273 1 0 "[ . 1 ]" 1
274 1 35 PHE HA 1 39 PHE H 2.854 . 3.872 3.731 3.511 3.950 0.078 7 0 "[ . 1 ]" 1
275 1 35 PHE HB2 1 35 PHE QD 2.270 . 2.914 2.467 2.403 2.527 . 0 0 "[ . 1 ]" 1
276 1 35 PHE HB2 1 36 LEU H 2.947 . 4.033 3.822 3.733 3.928 . 0 0 "[ . 1 ]" 1
277 1 35 PHE HB3 1 35 PHE QD 2.269 . 2.913 2.325 2.289 2.373 . 0 0 "[ . 1 ]" 1
278 1 35 PHE HB3 1 36 LEU H 2.943 . 4.026 2.513 2.336 2.696 . 0 0 "[ . 1 ]" 1
279 1 35 PHE QD 1 36 LEU H 2.941 . 4.022 3.489 3.219 3.980 . 0 0 "[ . 1 ]" 1
280 1 36 LEU H 1 36 LEU HA 2.806 . 3.791 2.810 2.757 2.835 . 0 0 "[ . 1 ]" 1
281 1 36 LEU H 1 36 LEU HB2 2.499 . 3.280 2.335 2.145 2.571 . 0 0 "[ . 1 ]" 1
282 1 36 LEU H 1 36 LEU HG 2.988 . 4.104 3.187 2.157 4.198 0.094 8 0 "[ . 1 ]" 1
283 1 36 LEU HA 1 36 LEU HB2 2.453 . 3.205 2.936 2.605 3.022 . 0 0 "[ . 1 ]" 1
284 1 36 LEU HA 1 36 LEU HG 2.648 . 3.525 2.906 2.434 3.653 0.128 1 0 "[ . 1 ]" 1
285 1 36 LEU HA 1 39 PHE H 3.141 . 4.374 3.617 3.282 3.983 . 0 0 "[ . 1 ]" 1
286 1 36 LEU HA 1 39 PHE HB2 2.775 . 3.737 3.670 2.970 4.130 0.393 12 0 "[ . 1 ]" 1
287 1 36 LEU HA 1 39 PHE HB3 2.994 . 4.114 2.697 2.198 3.120 . 0 0 "[ . 1 ]" 1
288 1 36 LEU HB2 1 37 LEU H 2.285 . 2.938 2.940 2.610 3.544 0.606 8 2 "[ - + 1 ]" 1
289 1 37 LEU H 1 37 LEU HA 2.457 . 3.212 2.845 2.769 2.891 . 0 0 "[ . 1 ]" 1
290 1 37 LEU H 1 37 LEU QB 2.443 . 3.189 2.257 2.093 2.488 . 0 0 "[ . 1 ]" 1
291 1 37 LEU H 1 37 LEU HG 2.978 . 4.086 3.615 2.202 4.206 0.120 8 0 "[ . 1 ]" 1
292 1 37 LEU H 1 38 ASP H 2.776 . 3.739 2.611 2.431 2.890 . 0 0 "[ . 1 ]" 1
293 1 37 LEU HA 1 37 LEU MD1 2.490 . 3.265 2.922 1.965 3.864 0.599 11 3 "[ .* -1+ ]" 1
294 1 37 LEU HA 1 38 ASP H 2.916 . 3.979 3.480 3.166 3.563 . 0 0 "[ . 1 ]" 1
295 1 37 LEU HA 1 40 CYS H 3.223 . 4.522 3.747 3.272 4.255 . 0 0 "[ . 1 ]" 1
296 1 37 LEU QB 1 37 LEU MD1 2.121 . 2.683 2.223 2.082 2.397 . 0 0 "[ . 1 ]" 1
297 1 37 LEU MD1 1 37 LEU HG 2.294 . 2.952 2.124 2.120 2.126 . 0 0 "[ . 1 ]" 1
298 1 38 ASP H 1 38 ASP HA 2.534 . 3.336 2.855 2.790 2.952 . 0 0 "[ . 1 ]" 1
299 1 38 ASP H 1 38 ASP HB2 2.775 . 3.738 2.549 2.308 2.956 . 0 0 "[ . 1 ]" 1
300 1 38 ASP H 1 38 ASP HB3 2.549 . 3.361 2.743 2.505 3.599 0.238 2 0 "[ . 1 ]" 1
301 1 38 ASP H 1 39 PHE H 2.798 . 3.776 2.509 2.052 2.760 . 0 0 "[ . 1 ]" 1
302 1 38 ASP HA 1 38 ASP HB2 2.944 . 4.027 2.575 2.458 3.014 . 0 0 "[ . 1 ]" 1
303 1 38 ASP HB2 1 39 PHE H 2.677 . 3.573 3.533 2.726 3.732 0.159 6 0 "[ . 1 ]" 1
304 1 38 ASP HB3 1 39 PHE H 2.436 . 3.178 2.565 2.311 3.576 0.398 2 0 "[ . 1 ]" 1
305 1 39 PHE H 1 39 PHE HA 2.384 . 3.095 2.803 2.769 2.845 . 0 0 "[ . 1 ]" 1
306 1 39 PHE H 1 39 PHE HB2 2.641 . 3.513 2.473 2.364 2.595 . 0 0 "[ . 1 ]" 1
307 1 39 PHE H 1 39 PHE HB3 2.428 . 3.165 2.558 2.419 2.693 . 0 0 "[ . 1 ]" 1
308 1 39 PHE HA 1 39 PHE HB2 2.579 . 3.411 2.478 2.388 2.543 . 0 0 "[ . 1 ]" 1
309 1 39 PHE HA 1 39 PHE HB3 2.586 . 3.422 3.025 3.017 3.029 . 0 0 "[ . 1 ]" 1
310 1 39 PHE HA 1 39 PHE QD 2.386 . 3.098 2.764 2.508 3.047 . 0 0 "[ . 1 ]" 1
311 1 39 PHE HA 1 40 CYS H 3.015 . 4.151 3.512 3.387 3.573 . 0 0 "[ . 1 ]" 1
312 1 39 PHE HB2 1 39 PHE QD 2.568 . 3.392 2.460 2.334 2.573 . 0 0 "[ . 1 ]" 1
313 1 39 PHE HB2 1 40 CYS H 2.762 . 3.715 3.868 3.663 4.016 0.301 2 0 "[ . 1 ]" 1
314 1 39 PHE HB3 1 39 PHE QD 2.524 . 3.320 2.333 2.278 2.442 . 0 0 "[ . 1 ]" 1
315 1 39 PHE HB3 1 40 CYS H 2.918 . 3.982 2.647 2.164 3.100 . 0 0 "[ . 1 ]" 1
316 1 39 PHE QD 1 40 CYS H 3.093 . 4.288 3.648 2.939 4.307 0.019 11 0 "[ . 1 ]" 1
317 1 40 CYS H 1 40 CYS HA 2.329 . 3.007 2.713 2.250 2.935 . 0 0 "[ . 1 ]" 1
318 1 40 CYS H 1 40 CYS HB2 2.886 . 3.927 3.123 2.521 3.695 . 0 0 "[ . 1 ]" 1
319 1 40 CYS H 1 40 CYS HB3 2.711 . 3.630 3.229 2.472 3.690 0.060 11 0 "[ . 1 ]" 1
320 1 40 CYS H 1 41 THR H 2.621 . 3.479 2.724 2.219 3.296 . 0 0 "[ . 1 ]" 1
321 1 40 CYS HA 1 40 CYS HB2 2.628 . 3.491 2.584 2.450 3.027 . 0 0 "[ . 1 ]" 1
322 1 40 CYS HA 1 40 CYS HB3 2.644 . 3.518 2.819 2.324 3.034 . 0 0 "[ . 1 ]" 1
323 1 41 THR H 1 41 THR HA 2.425 . 3.160 2.771 2.248 2.943 . 0 0 "[ . 1 ]" 1
324 1 41 THR H 1 41 THR HB 2.699 . 3.610 3.101 2.560 3.705 0.095 10 0 "[ . 1 ]" 1
325 1 41 THR H 1 41 THR MG 2.861 . 3.884 3.422 2.042 3.997 0.113 7 0 "[ . 1 ]" 1
326 1 41 THR H 1 42 GLY H 3.434 . 4.908 3.472 1.942 4.626 0.018 10 0 "[ . 1 ]" 1
327 1 41 THR HB 1 41 THR MG 1.835 . 2.256 2.133 2.130 2.137 . 0 0 "[ . 1 ]" 1
328 1 41 THR HB 1 42 GLY H 2.653 . 3.533 2.940 2.041 3.652 0.119 2 0 "[ . 1 ]" 1
329 1 42 GLY H 1 42 GLY HA2 2.827 . 3.826 2.751 2.437 2.953 . 0 0 "[ . 1 ]" 1
330 1 43 GLU H 1 43 GLU HA 2.162 . 2.746 2.835 2.773 2.913 0.167 12 0 "[ . 1 ]" 1
331 1 43 GLU H 1 43 GLU HB2 2.614 . 3.468 2.729 2.239 3.592 0.124 1 0 "[ . 1 ]" 1
332 1 43 GLU H 1 43 GLU HB3 2.638 . 3.508 3.341 2.552 3.665 0.157 12 0 "[ . 1 ]" 1
333 1 43 GLU H 1 43 GLU HG3 2.814 . 3.804 2.970 1.928 4.056 0.252 8 0 "[ . 1 ]" 1
334 1 43 GLU HA 1 43 GLU HB2 2.585 . 3.420 2.868 2.434 3.020 . 0 0 "[ . 1 ]" 1
335 1 43 GLU HA 1 43 GLU HB3 2.414 . 3.142 2.479 2.403 2.638 . 0 0 "[ . 1 ]" 1
336 1 43 GLU HA 1 43 GLU HG3 2.719 . 3.643 3.353 2.403 3.737 0.094 11 0 "[ . 1 ]" 1
337 1 43 GLU HB3 1 44 ASP H 2.488 . 3.261 3.509 2.926 4.199 0.938 3 5 "[**+ .* - ]" 1
338 1 43 GLU HG3 1 44 ASP H 3.226 . 4.527 4.480 3.782 5.191 0.664 7 3 "[ *. +- 1 ]" 1
339 1 44 ASP H 1 44 ASP HA 2.557 . 3.374 2.808 2.262 2.954 . 0 0 "[ . 1 ]" 1
340 1 44 ASP H 1 44 ASP HB2 2.777 . 3.741 2.962 2.483 3.761 0.020 1 0 "[ . 1 ]" 1
341 1 44 ASP H 1 44 ASP HB3 2.830 . 3.831 3.019 2.420 3.720 . 0 0 "[ . 1 ]" 1
342 1 44 ASP H 1 45 SER H 2.907 . 3.963 2.652 1.912 4.032 0.069 11 0 "[ . 1 ]" 1
343 1 44 ASP HA 1 44 ASP HB2 2.684 . 3.584 2.584 2.395 3.029 . 0 0 "[ . 1 ]" 1
344 1 44 ASP HA 1 44 ASP HB3 2.559 . 3.377 2.816 2.492 3.036 . 0 0 "[ . 1 ]" 1
345 1 44 ASP HA 1 45 SER H 2.592 . 3.432 3.202 2.163 3.537 0.105 8 0 "[ . 1 ]" 1
346 1 44 ASP HB2 1 45 SER H 3.081 . 4.267 3.815 2.109 4.608 0.341 9 0 "[ . 1 ]" 1
347 1 44 ASP HB3 1 45 SER H 3.285 . 4.634 3.397 2.070 4.431 . 0 0 "[ . 1 ]" 1
348 1 45 SER H 1 45 SER HA 2.431 . 3.170 2.688 2.257 2.943 . 0 0 "[ . 1 ]" 1
349 1 45 SER HA 1 46 VAL H 2.221 . 2.838 2.506 2.172 2.848 0.010 6 0 "[ . 1 ]" 1
350 1 46 VAL H 1 46 VAL HA 2.348 . 3.037 2.878 2.788 2.945 . 0 0 "[ . 1 ]" 1
351 1 46 VAL H 1 46 VAL HB 2.744 . 3.685 3.042 2.566 3.715 0.030 11 0 "[ . 1 ]" 1
352 1 46 VAL H 1 46 VAL QG 2.550 . 3.363 2.028 1.806 2.404 . 0 0 "[ . 1 ]" 1
353 1 46 VAL H 1 47 ASP H 2.890 . 3.934 2.612 1.911 3.948 0.014 1 0 "[ . 1 ]" 1
354 1 46 VAL HA 1 46 VAL HB 2.786 . 3.756 2.663 2.410 3.031 . 0 0 "[ . 1 ]" 1
355 1 46 VAL HA 1 46 VAL QG 2.582 . 3.416 2.226 2.132 2.349 . 0 0 "[ . 1 ]" 1
356 1 46 VAL HA 1 47 ASP H 2.592 . 3.432 3.257 2.222 3.521 0.089 2 0 "[ . 1 ]" 1
357 1 46 VAL HB 1 47 ASP H 2.932 . 4.006 3.565 2.626 4.054 0.048 1 0 "[ . 1 ]" 1
358 1 46 VAL QG 1 47 ASP H 2.764 . 3.719 2.841 1.928 3.731 0.012 1 0 "[ . 1 ]" 1
359 1 47 ASP H 1 47 ASP HA 2.642 . 3.514 2.649 2.260 2.947 . 0 0 "[ . 1 ]" 1
360 1 47 ASP H 1 47 ASP QB 2.487 . 3.260 2.783 2.253 3.282 0.022 4 0 "[ . 1 ]" 1
361 1 47 ASP HA 1 47 ASP QB 2.288 . 2.943 2.358 2.183 2.492 . 0 0 "[ . 1 ]" 1
362 1 47 ASP HA 1 48 GLY H 2.654 . 3.535 2.470 2.129 3.324 . 0 0 "[ . 1 ]" 1
363 1 47 ASP QB 1 48 GLY H 2.837 . 3.843 3.282 1.901 3.994 0.151 10 0 "[ . 1 ]" 1
364 1 47 ASP QB 1 49 LYS H 2.996 . 4.118 3.616 2.917 4.209 0.091 5 0 "[ . 1 ]" 1
365 1 48 GLY H 1 48 GLY HA2 2.660 . 3.544 2.779 2.351 2.949 . 0 0 "[ . 1 ]" 1
366 1 48 GLY H 1 48 GLY HA3 2.549 . 3.361 2.495 2.298 2.956 . 0 0 "[ . 1 ]" 1
367 1 48 GLY H 1 49 LYS H 2.762 . 3.716 2.896 2.110 3.587 . 0 0 "[ . 1 ]" 1
368 1 48 GLY HA2 1 49 LYS H 2.773 . 3.734 3.001 2.558 3.551 . 0 0 "[ . 1 ]" 1
369 1 48 GLY HA3 1 49 LYS H 2.534 . 3.337 3.328 2.458 3.581 0.244 10 0 "[ . 1 ]" 1
370 1 49 LYS H 1 49 LYS HA 2.526 . 3.324 2.681 2.245 2.948 . 0 0 "[ . 1 ]" 1
371 1 49 LYS HA 1 49 LYS HB3 2.847 . 3.860 2.640 2.414 3.023 . 0 0 "[ . 1 ]" 1
372 1 49 LYS HA 1 49 LYS QD 2.933 . 4.009 3.369 1.988 4.093 0.084 2 0 "[ . 1 ]" 1
373 1 49 LYS HA 1 49 LYS HG3 3.346 . 4.745 3.115 2.569 3.817 . 0 0 "[ . 1 ]" 1
374 1 49 LYS QD 1 49 LYS HG2 2.083 . 2.625 2.325 2.173 2.384 . 0 0 "[ . 1 ]" 1
375 1 49 LYS QE 1 49 LYS HG2 2.815 . 3.806 2.740 2.341 3.313 . 0 0 "[ . 1 ]" 1
376 1 49 LYS QE 1 49 LYS HG3 2.852 . 3.869 2.829 2.407 3.516 . 0 0 "[ . 1 ]" 1
377 1 50 LYS H 1 50 LYS HG2 3.588 . 5.197 4.230 3.283 4.599 . 0 0 "[ . 1 ]" 1
378 1 50 LYS HA 1 50 LYS HG2 2.204 . 2.811 2.809 2.320 3.746 0.935 10 1 "[ . + ]" 1
379 1 50 LYS HA 1 50 LYS HG3 2.788 . 3.759 2.876 2.530 3.616 . 0 0 "[ . 1 ]" 1
380 1 50 LYS HA 1 51 ARG H 3.008 . 4.139 2.772 2.128 3.571 . 0 0 "[ . 1 ]" 1
381 1 50 LYS QD 1 51 ARG H 2.841 . 3.850 3.663 2.671 4.013 0.163 2 0 "[ . 1 ]" 1
382 1 50 LYS HG2 1 51 ARG H 2.925 . 3.995 3.239 1.826 4.415 0.420 10 0 "[ . 1 ]" 1
383 1 51 ARG H 1 51 ARG HA 2.250 . 2.883 2.676 2.255 2.939 0.056 7 0 "[ . 1 ]" 1
384 1 51 ARG H 1 51 ARG QD 3.124 . 4.344 3.359 2.145 4.370 0.026 12 0 "[ . 1 ]" 1
385 1 51 ARG H 1 51 ARG HG2 2.853 . 3.871 3.003 2.221 4.047 0.176 12 0 "[ . 1 ]" 1
386 1 51 ARG H 1 51 ARG HG3 3.155 . 4.400 4.019 2.845 4.419 0.019 12 0 "[ . 1 ]" 1
387 1 51 ARG HA 1 52 GLN H 2.654 . 3.535 2.549 2.135 3.562 0.027 2 0 "[ . 1 ]" 1
388 1 51 ARG QB 1 51 ARG QD 3.203 . 4.485 2.481 2.131 2.864 . 0 0 "[ . 1 ]" 1
389 1 51 ARG QD 1 51 ARG HG3 2.432 . 3.171 2.339 2.162 2.412 . 0 0 "[ . 1 ]" 1
390 1 51 ARG QD 1 52 GLN H 3.165 . 4.417 3.819 2.098 4.310 . 0 0 "[ . 1 ]" 1
391 1 52 GLN H 1 52 GLN HA 2.472 . 3.236 2.845 2.690 2.928 . 0 0 "[ . 1 ]" 1
392 1 52 GLN H 1 52 GLN HB2 2.576 . 3.406 2.498 2.328 2.733 . 0 0 "[ . 1 ]" 1
393 1 52 GLN H 1 52 GLN HB3 2.641 . 3.513 3.209 2.374 3.627 0.114 6 0 "[ . 1 ]" 1
394 1 52 GLN H 1 52 GLN QG 2.843 . 3.853 3.130 2.195 3.962 0.109 8 0 "[ . 1 ]" 1
395 1 52 GLN H 1 53 ARG H 2.518 . 3.311 2.650 2.193 3.321 0.010 5 0 "[ . 1 ]" 1
396 1 52 GLN HA 1 52 GLN HB2 2.445 . 3.192 2.828 2.424 3.024 . 0 0 "[ . 1 ]" 1
397 1 52 GLN HA 1 52 GLN QG 2.538 . 3.343 2.572 2.389 3.039 . 0 0 "[ . 1 ]" 1
398 1 52 GLN HA 1 53 ARG H 2.618 . 3.475 3.459 3.179 3.548 0.073 5 0 "[ . 1 ]" 1
399 1 52 GLN HB2 1 52 GLN QG 2.218 . 2.833 2.319 2.161 2.406 . 0 0 "[ . 1 ]" 1
400 1 52 GLN HB2 1 53 ARG H 2.756 . 3.706 3.050 1.900 4.077 0.371 3 0 "[ . 1 ]" 1
401 1 52 GLN HB3 1 52 GLN QG 2.405 . 3.128 2.278 2.153 2.371 . 0 0 "[ . 1 ]" 1
402 1 53 ARG H 1 53 ARG HA 2.380 . 3.088 2.638 2.247 2.944 . 0 0 "[ . 1 ]" 1
403 1 53 ARG H 1 53 ARG QB 2.404 . 3.126 2.871 2.381 3.264 0.138 7 0 "[ . 1 ]" 1
404 1 53 ARG H 1 53 ARG HG2 2.929 . 4.002 3.415 2.456 3.877 . 0 0 "[ . 1 ]" 1
405 1 53 ARG H 1 53 ARG HG3 2.989 . 4.106 2.945 2.203 4.114 0.008 9 0 "[ . 1 ]" 1
406 1 53 ARG H 1 54 HIS H 2.457 . 3.211 2.710 1.863 3.291 0.080 10 0 "[ . 1 ]" 1
407 1 53 ARG HA 1 53 ARG QD 3.245 . 4.562 3.897 1.928 4.267 0.000 3 0 "[ . 1 ]" 1
408 1 53 ARG HA 1 53 ARG HG3 3.013 . 4.148 3.268 2.835 3.799 . 0 0 "[ . 1 ]" 1
409 1 53 ARG HA 1 54 HIS H 2.654 . 3.535 2.864 2.544 3.425 . 0 0 "[ . 1 ]" 1
410 1 53 ARG QB 1 53 ARG QD 3.125 . 4.346 2.221 2.113 2.432 . 0 0 "[ . 1 ]" 1
411 1 53 ARG QB 1 53 ARG HG3 2.030 . 2.545 2.337 2.168 2.506 . 0 0 "[ . 1 ]" 1
412 1 53 ARG QD 1 53 ARG HG2 2.420 . 3.152 2.350 2.326 2.385 . 0 0 "[ . 1 ]" 1
413 1 54 HIS H 1 54 HIS HA 2.894 . 3.941 2.840 2.258 2.942 . 0 0 "[ . 1 ]" 1
414 1 54 HIS H 1 54 HIS HB2 3.086 . 4.277 3.047 2.482 3.931 . 0 0 "[ . 1 ]" 1
415 1 54 HIS H 1 54 HIS HB3 3.182 . 4.448 3.228 2.353 3.828 . 0 0 "[ . 1 ]" 1
416 1 54 HIS H 1 55 SER H 3.270 . 4.607 3.599 1.890 4.587 0.043 7 0 "[ . 1 ]" 1
417 1 54 HIS HA 1 54 HIS HB2 2.962 . 4.059 2.661 2.386 3.026 . 0 0 "[ . 1 ]" 1
418 1 54 HIS HA 1 54 HIS HB3 2.715 . 3.636 2.772 2.437 3.028 . 0 0 "[ . 1 ]" 1
419 1 54 HIS HA 1 54 HIS HD2 3.118 . 4.333 3.526 2.571 4.440 0.107 10 0 "[ . 1 ]" 1
420 1 54 HIS HA 1 55 SER H 2.618 . 3.475 2.717 2.124 3.556 0.081 6 0 "[ . 1 ]" 1
421 1 54 HIS HB2 1 54 HIS HD2 2.770 . 3.729 3.167 2.691 3.965 0.236 5 0 "[ . 1 ]" 1
422 1 54 HIS HB2 1 55 SER H 2.981 . 4.092 3.758 2.410 4.351 0.259 4 0 "[ . 1 ]" 1
423 1 54 HIS HB3 1 54 HIS HD2 2.903 . 3.956 3.694 2.947 3.973 0.017 11 0 "[ . 1 ]" 1
424 1 54 HIS HB3 1 55 SER H 3.103 . 4.306 3.496 2.099 4.324 0.018 7 0 "[ . 1 ]" 1
425 1 55 SER QB 1 56 GLY H 3.279 . 4.623 3.202 2.361 4.057 . 0 0 "[ . 1 ]" 1
426 1 56 GLY QA 1 57 LEU H 2.306 . 2.971 2.229 2.117 2.748 . 0 0 "[ . 1 ]" 1
427 1 57 LEU H 1 57 LEU HA 2.316 . 2.986 2.732 2.251 2.943 . 0 0 "[ . 1 ]" 1
428 1 57 LEU H 1 57 LEU QB 3.498 . 5.028 2.758 2.259 3.326 . 0 0 "[ . 1 ]" 1
429 1 57 LEU H 1 58 THR H 2.793 . 3.768 2.719 1.785 3.616 0.033 6 0 "[ . 1 ]" 1
430 1 57 LEU HA 1 57 LEU MD1 3.262 . 4.592 2.929 1.904 4.080 0.028 12 0 "[ . 1 ]" 1
431 1 57 LEU HA 1 57 LEU MD2 2.658 . 3.541 2.767 1.931 4.037 0.496 8 0 "[ . 1 ]" 1
432 1 57 LEU HA 1 58 THR H 2.654 . 3.535 3.116 2.293 3.554 0.019 9 0 "[ . 1 ]" 1
433 1 57 LEU MD1 1 58 THR H 2.856 . 3.875 3.691 2.968 4.364 0.489 2 0 "[ . 1 ]" 1
434 1 57 LEU MD2 1 58 THR H 3.067 . 4.243 3.824 2.145 4.391 0.148 10 0 "[ . 1 ]" 1
435 1 58 THR H 1 58 THR HA 2.278 . 2.927 2.789 2.255 2.921 . 0 0 "[ . 1 ]" 1
436 1 58 THR H 1 58 THR HB 2.630 . 3.495 3.194 2.647 3.659 0.164 5 0 "[ . 1 ]" 1
437 1 58 THR H 1 58 THR MG 2.861 . 3.884 2.971 2.002 3.893 0.009 5 0 "[ . 1 ]" 1
438 1 58 THR H 1 59 GLU H 2.508 . 3.294 2.527 1.722 3.351 0.057 6 0 "[ . 1 ]" 1
439 1 58 THR HA 1 58 THR MG 2.618 . 3.475 2.672 2.237 3.236 . 0 0 "[ . 1 ]" 1
440 1 59 GLU H 1 59 GLU HA 2.313 . 2.982 2.789 2.246 2.945 . 0 0 "[ . 1 ]" 1
441 1 59 GLU H 1 59 GLU QB 2.428 . 3.165 2.627 2.233 3.274 0.109 10 0 "[ . 1 ]" 1
442 1 59 GLU H 1 59 GLU QG 2.887 . 3.929 2.796 1.884 4.003 0.074 9 0 "[ . 1 ]" 1
443 1 59 GLU HA 1 59 GLU QB 2.354 . 3.047 2.347 2.169 2.424 . 0 0 "[ . 1 ]" 1
444 1 59 GLU HA 1 59 GLU QG 2.676 . 3.571 2.616 2.401 3.333 . 0 0 "[ . 1 ]" 1
445 1 59 GLU HA 1 60 GLN H 2.417 . 3.147 2.333 2.141 2.802 . 0 0 "[ . 1 ]" 1
446 1 59 GLU QB 1 59 GLU QG 2.193 . 2.794 2.061 1.983 2.087 . 0 0 "[ . 1 ]" 1
447 1 60 GLN H 1 60 GLN HA 2.366 . 3.066 2.757 2.266 2.944 . 0 0 "[ . 1 ]" 1
448 1 60 GLN H 1 60 GLN QG 2.566 . 3.389 2.575 1.876 3.045 . 0 0 "[ . 1 ]" 1
449 1 60 GLN H 1 61 THR H 2.404 . 3.127 3.044 2.709 3.250 0.123 11 0 "[ . 1 ]" 1
450 1 60 GLN HA 1 60 GLN HB2 2.864 . 3.889 2.850 2.474 3.029 . 0 0 "[ . 1 ]" 1
451 1 60 GLN HA 1 60 GLN HB3 2.734 . 3.668 2.447 2.376 2.508 . 0 0 "[ . 1 ]" 1
452 1 60 GLN HA 1 60 GLN QG 2.629 . 3.493 2.842 2.398 3.348 . 0 0 "[ . 1 ]" 1
453 1 60 GLN HA 1 61 THR H 2.068 . 2.602 2.590 2.241 2.685 0.083 9 0 "[ . 1 ]" 1
454 1 60 GLN HB2 1 60 GLN HG2 2.291 . 2.947 2.843 2.469 3.010 0.063 11 0 "[ . 1 ]" 1
455 1 60 GLN HB2 1 61 THR H 3.234 . 4.541 4.322 4.084 4.410 . 0 0 "[ . 1 ]" 1
456 1 60 GLN HB3 1 60 GLN HG2 2.005 . 2.508 2.566 2.253 3.003 0.495 8 0 "[ . 1 ]" 1
457 1 60 GLN HB3 1 61 THR H 3.285 . 4.634 4.451 4.344 4.610 . 0 0 "[ . 1 ]" 1
458 1 60 GLN HE21 1 60 GLN QG 3.375 . 4.799 2.386 2.155 2.803 . 0 0 "[ . 1 ]" 1
459 1 60 GLN HE22 1 60 GLN QG 3.066 . 4.241 3.324 3.212 3.487 . 0 0 "[ . 1 ]" 1
460 1 60 GLN QG 1 61 THR H 3.233 . 4.540 4.421 3.944 4.687 0.147 12 0 "[ . 1 ]" 1
461 1 61 THR H 1 61 THR HA 2.464 . 3.223 2.878 2.761 2.946 . 0 0 "[ . 1 ]" 1
462 1 61 THR H 1 61 THR HB 2.653 . 3.533 2.862 2.543 3.593 0.060 10 0 "[ . 1 ]" 1
463 1 61 THR H 1 61 THR MG 2.861 . 3.884 3.439 2.147 3.943 0.059 9 0 "[ . 1 ]" 1
464 1 61 THR HA 1 61 THR MG 2.552 . 3.366 2.386 2.224 3.217 . 0 0 "[ . 1 ]" 1
465 1 61 THR HA 1 62 TYR H 2.654 . 3.535 2.625 2.146 3.569 0.034 12 0 "[ . 1 ]" 1
466 1 61 THR HB 1 61 THR MG 2.494 . 3.272 2.135 2.131 2.138 . 0 0 "[ . 1 ]" 1
467 1 61 THR MG 1 62 TYR H 2.747 . 3.690 3.334 2.681 3.769 0.079 8 0 "[ . 1 ]" 1
468 1 62 TYR H 1 62 TYR HA 2.478 . 3.246 2.884 2.745 2.938 . 0 0 "[ . 1 ]" 1
469 1 62 TYR H 1 62 TYR HB2 2.445 . 3.192 2.885 2.422 3.592 0.400 5 0 "[ . 1 ]" 1
470 1 62 TYR H 1 62 TYR HB3 2.689 . 3.593 2.987 2.426 3.638 0.045 3 0 "[ . 1 ]" 1
471 1 62 TYR HA 1 62 TYR HB2 2.719 . 3.643 2.654 2.375 3.027 . 0 0 "[ . 1 ]" 1
472 1 62 TYR HA 1 62 TYR HB3 2.594 . 3.435 2.766 2.298 3.031 . 0 0 "[ . 1 ]" 1
473 1 62 TYR HA 1 62 TYR QD 2.698 . 3.608 2.822 2.463 3.693 0.085 5 0 "[ . 1 ]" 1
474 1 62 TYR HA 1 63 SER H 2.295 . 2.953 2.380 2.097 3.018 0.065 12 0 "[ . 1 ]" 1
475 1 62 TYR HB2 1 62 TYR QD 2.583 . 3.417 2.446 2.285 2.588 . 0 0 "[ . 1 ]" 1
476 1 62 TYR HB2 1 63 SER H 3.068 . 4.245 4.070 3.084 4.606 0.361 8 0 "[ . 1 ]" 1
477 1 62 TYR HB3 1 62 TYR QD 2.594 . 3.435 2.385 2.281 2.561 . 0 0 "[ . 1 ]" 1
478 1 63 SER H 1 63 SER HA 2.605 . 3.454 2.826 2.261 2.940 . 0 0 "[ . 1 ]" 1
479 1 63 SER H 1 63 SER HB2 2.860 . 3.882 3.072 2.533 3.604 . 0 0 "[ . 1 ]" 1
480 1 63 SER H 1 63 SER HB3 2.608 . 3.458 3.099 2.551 3.916 0.458 8 0 "[ . 1 ]" 1
481 1 63 SER HA 1 63 SER HB2 2.730 . 3.662 2.645 2.469 3.031 . 0 0 "[ . 1 ]" 1
482 1 63 SER HA 1 63 SER HB3 2.587 . 3.424 2.716 2.340 3.035 . 0 0 "[ . 1 ]" 1
483 1 63 SER HA 1 64 ALA H 2.554 . 3.369 2.693 2.158 3.533 0.164 1 0 "[ . 1 ]" 1
484 1 64 ALA H 1 64 ALA HA 2.548 . 3.359 2.706 2.264 2.942 . 0 0 "[ . 1 ]" 1
485 1 64 ALA H 1 64 ALA MB 2.311 . 2.979 2.619 2.259 2.924 . 0 0 "[ . 1 ]" 1
486 1 64 ALA H 1 65 LEU H 2.518 . 3.311 2.997 2.372 3.416 0.105 9 0 "[ . 1 ]" 1
487 1 64 ALA HA 1 64 ALA MB 2.159 . 2.742 2.128 2.124 2.135 . 0 0 "[ . 1 ]" 1
488 1 64 ALA HA 1 65 LEU H 2.554 . 3.369 2.574 2.186 3.395 0.026 6 0 "[ . 1 ]" 1
489 1 64 ALA MB 1 65 LEU H 2.692 . 3.598 3.583 2.937 3.694 0.096 3 0 "[ . 1 ]" 1
490 1 65 LEU H 1 65 LEU HA 2.679 . 3.576 2.767 2.257 2.941 . 0 0 "[ . 1 ]" 1
491 1 65 LEU H 1 65 LEU HB2 2.963 . 4.060 2.856 2.125 3.986 . 0 0 "[ . 1 ]" 1
492 1 65 LEU H 1 65 LEU HB3 2.963 . 4.060 3.519 2.850 4.062 0.002 11 0 "[ . 1 ]" 1
493 1 65 LEU H 1 65 LEU HG 2.961 . 4.057 3.713 2.941 4.123 0.066 8 0 "[ . 1 ]" 1
494 1 65 LEU HA 1 65 LEU HB2 2.929 . 4.001 2.847 2.363 3.024 . 0 0 "[ . 1 ]" 1
495 1 65 LEU HA 1 65 LEU MD1 2.558 . 3.376 3.192 1.968 4.117 0.741 5 3 "[-* + 1 ]" 1
496 1 65 LEU HA 1 66 PRO HD2 2.557 . 3.374 2.621 2.125 3.090 . 0 0 "[ . 1 ]" 1
497 1 65 LEU HA 1 66 PRO HD3 2.442 . 3.187 2.067 1.823 2.652 . 0 0 "[ . 1 ]" 1
498 1 65 LEU HB2 1 65 LEU MD1 3.145 . 4.381 2.597 2.243 3.201 . 0 0 "[ . 1 ]" 1
499 1 65 LEU HB2 1 65 LEU HG 1.936 . 2.405 2.528 2.444 3.002 0.597 6 1 "[ .+ 1 ]" 1
500 1 65 LEU HB3 1 65 LEU MD1 2.156 . 2.737 2.487 2.358 3.189 0.452 6 0 "[ . 1 ]" 1
501 1 65 LEU MD1 1 65 LEU HG 2.296 . 2.955 2.122 2.118 2.126 . 0 0 "[ . 1 ]" 1
502 1 66 PRO HA 1 66 PRO HG2 2.773 . 3.734 4.000 3.821 4.072 0.338 3 0 "[ . 1 ]" 1
503 1 66 PRO HA 1 67 GLU H 2.404 . 3.126 2.373 2.133 2.693 . 0 0 "[ . 1 ]" 1
504 1 66 PRO QB 1 66 PRO HG2 2.268 . 2.911 2.187 2.175 2.243 . 0 0 "[ . 1 ]" 1
505 1 66 PRO HD2 1 66 PRO HG3 2.630 . 3.494 2.971 2.736 3.000 . 0 0 "[ . 1 ]" 1
506 1 66 PRO HD3 1 66 PRO HG2 2.546 . 3.356 2.705 2.669 2.967 . 0 0 "[ . 1 ]" 1
507 1 66 PRO HD3 1 66 PRO HG3 2.485 . 3.257 2.311 2.292 2.329 . 0 0 "[ . 1 ]" 1
508 1 67 GLU H 1 67 GLU HA 2.895 . 3.942 2.672 2.257 2.941 . 0 0 "[ . 1 ]" 1
509 1 67 GLU H 1 67 GLU QG 3.106 . 4.312 2.741 1.854 4.422 0.110 6 0 "[ . 1 ]" 1
510 1 67 GLU HA 1 68 PRO HD2 2.520 . 3.314 2.429 2.030 2.619 . 0 0 "[ . 1 ]" 1
511 1 67 GLU HA 1 68 PRO HD3 2.421 . 3.154 2.084 1.896 2.678 . 0 0 "[ . 1 ]" 1
512 1 67 GLU HB3 1 67 GLU QG 2.399 . 3.119 2.311 2.159 2.374 . 0 0 "[ . 1 ]" 1
513 1 68 PRO HA 1 69 LYS H 2.063 . 2.595 2.314 2.104 2.605 0.010 12 0 "[ . 1 ]" 1
514 1 68 PRO QB 1 68 PRO HG3 2.318 . 2.990 2.219 2.175 2.244 . 0 0 "[ . 1 ]" 1
515 1 68 PRO HD2 1 68 PRO HG2 2.942 . 4.024 2.306 2.258 2.327 . 0 0 "[ . 1 ]" 1
516 1 68 PRO HD2 1 68 PRO HG3 2.673 . 3.566 2.916 2.715 2.997 . 0 0 "[ . 1 ]" 1
517 1 68 PRO HD3 1 68 PRO HG3 2.866 . 3.893 2.303 2.258 2.321 . 0 0 "[ . 1 ]" 1
518 1 69 LYS H 1 69 LYS HB2 2.553 . 3.368 3.441 2.484 3.960 0.592 4 1 "[ +. 1 ]" 1
519 1 69 LYS H 1 69 LYS QG 2.396 . 3.114 2.190 1.920 3.185 0.071 4 0 "[ . 1 ]" 1
520 1 69 LYS H 1 70 ALA H 2.586 . 3.422 2.483 2.199 2.946 . 0 0 "[ . 1 ]" 1
521 1 69 LYS HA 1 69 LYS HB2 2.928 . 4.000 2.620 2.429 3.026 . 0 0 "[ . 1 ]" 1
522 1 69 LYS HA 1 70 ALA H 2.654 . 3.535 3.148 2.780 3.550 0.015 1 0 "[ . 1 ]" 1
523 1 69 LYS HA 1 70 ALA MB 3.232 . 4.537 4.357 3.806 4.656 0.119 12 0 "[ . 1 ]" 1
524 1 69 LYS HB2 1 69 LYS QG 2.522 . 3.317 2.338 2.160 2.403 . 0 0 "[ . 1 ]" 1
525 1 69 LYS QG 1 70 ALA H 2.827 . 3.826 3.501 1.827 3.920 0.094 4 0 "[ . 1 ]" 1
526 1 70 ALA H 1 70 ALA MB 2.850 . 3.865 2.675 2.265 2.925 . 0 0 "[ . 1 ]" 1
527 1 70 ALA H 1 71 THR H 2.989 . 4.106 3.235 1.843 4.233 0.127 9 0 "[ . 1 ]" 1
528 1 70 ALA HA 1 71 THR H 2.961 . 4.057 2.718 2.144 3.542 . 0 0 "[ . 1 ]" 1
529 1 71 THR H 1 71 THR HA 2.834 . 3.838 2.798 2.260 2.943 . 0 0 "[ . 1 ]" 1
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