NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601089 |
5ie8   |
26725 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ie8
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 1126
_Distance_constraint_stats_list.Viol_count 223
_Distance_constraint_stats_list.Viol_total 39.600
_Distance_constraint_stats_list.Viol_max 0.483
_Distance_constraint_stats_list.Viol_rms 0.0398
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0888
_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 GLN 0.015 0.015 1 0 "[ ]"
1 2 GLU 0.507 0.192 1 0 "[ ]"
1 3 ASP 0.000 0.000 . 0 "[ ]"
1 4 PRO 0.075 0.045 2 0 "[ ]"
1 5 TRP 0.371 0.295 1 0 "[ ]"
1 6 ARG 0.431 0.192 1 0 "[ ]"
1 7 HIS 0.060 0.043 2 0 "[ ]"
1 8 PHE 0.334 0.104 2 0 "[ ]"
1 9 ALA 0.059 0.041 2 0 "[ ]"
1 10 ARG 0.157 0.089 1 0 "[ ]"
1 11 THR 0.114 0.043 2 0 "[ ]"
1 12 HIS 0.383 0.383 1 0 "[ ]"
1 13 ALA 0.383 0.383 1 0 "[ ]"
1 14 ILE 0.090 0.040 1 0 "[ ]"
1 15 GLY 0.133 0.040 1 0 "[ ]"
1 16 GLN 0.038 0.038 1 0 "[ ]"
1 17 ILE 0.459 0.298 2 0 "[ ]"
1 18 VAL 0.038 0.038 1 0 "[ ]"
1 19 PRO 0.982 0.478 1 0 "[ ]"
1 20 GLY 0.112 0.076 1 0 "[ ]"
1 21 LYS 0.479 0.104 2 0 "[ ]"
1 22 VAL 0.005 0.005 2 0 "[ ]"
1 23 THR 0.201 0.064 1 0 "[ ]"
1 24 LYS 0.697 0.206 1 0 "[ ]"
1 25 LEU 0.950 0.206 1 0 "[ ]"
1 26 VAL 0.086 0.045 2 0 "[ ]"
1 27 PRO 0.006 0.006 1 0 "[ ]"
1 28 PHE 0.424 0.241 2 0 "[ ]"
1 29 GLY 0.000 0.000 . 0 "[ ]"
1 30 ALA 0.564 0.331 1 0 "[ ]"
1 31 PHE 0.192 0.105 2 0 "[ ]"
1 32 VAL 0.000 0.000 . 0 "[ ]"
1 33 ARG 0.142 0.082 1 0 "[ ]"
1 34 VAL 0.285 0.089 2 0 "[ ]"
1 35 GLU 0.211 0.050 2 0 "[ ]"
1 36 GLU 0.000 0.000 . 0 "[ ]"
1 37 GLY 0.000 0.000 . 0 "[ ]"
1 38 ILE 1.002 0.249 2 0 "[ ]"
1 39 GLU 0.425 0.147 1 0 "[ ]"
1 40 GLY 0.295 0.192 1 0 "[ ]"
1 41 LEU 0.464 0.290 2 0 "[ ]"
1 42 VAL 0.622 0.331 1 0 "[ ]"
1 43 HIS 0.271 0.090 1 0 "[ ]"
1 44 ILE 0.575 0.241 2 0 "[ ]"
1 45 SER 0.382 0.135 2 0 "[ ]"
1 46 GLU 0.000 0.000 . 0 "[ ]"
1 47 LEU 0.283 0.135 2 0 "[ ]"
1 48 ALA 0.032 0.017 2 0 "[ ]"
1 49 GLU 0.149 0.081 1 0 "[ ]"
1 50 ARG 1.264 0.361 2 0 "[ ]"
1 51 HIS 0.369 0.120 1 0 "[ ]"
1 52 VAL 1.051 0.406 1 0 "[ ]"
1 53 GLU 0.384 0.352 2 0 "[ ]"
1 54 VAL 0.153 0.072 1 0 "[ ]"
1 55 PRO 0.074 0.041 1 0 "[ ]"
1 56 ASP 0.159 0.072 1 0 "[ ]"
1 57 GLN 1.387 0.406 1 0 "[ ]"
1 58 VAL 0.121 0.082 1 0 "[ ]"
1 59 VAL 0.185 0.082 1 0 "[ ]"
1 60 ALA 0.418 0.215 2 0 "[ ]"
1 61 VAL 0.674 0.215 2 0 "[ ]"
1 62 GLY 0.000 0.000 . 0 "[ ]"
1 63 ASP 0.156 0.070 1 0 "[ ]"
1 64 ASP 0.276 0.104 2 0 "[ ]"
1 65 ALA 0.000 0.000 . 0 "[ ]"
1 66 MET 0.216 0.121 1 0 "[ ]"
1 67 VAL 0.622 0.478 1 0 "[ ]"
1 68 LYS 0.742 0.146 2 0 "[ ]"
1 69 VAL 0.077 0.039 1 0 "[ ]"
1 70 ILE 0.601 0.146 2 0 "[ ]"
1 71 ASP 0.223 0.157 2 0 "[ ]"
1 72 ILE 0.752 0.157 2 0 "[ ]"
1 73 ASP 0.377 0.103 1 0 "[ ]"
1 74 LEU 1.292 0.350 1 0 "[ ]"
1 75 GLU 1.450 0.383 1 0 "[ ]"
1 76 ARG 0.576 0.383 1 0 "[ ]"
1 77 ARG 1.938 0.483 1 0 "[ ]"
1 78 ARG 0.334 0.130 1 0 "[ ]"
1 79 ILE 0.962 0.249 2 0 "[ ]"
1 80 SER 0.151 0.068 1 0 "[ ]"
1 81 LEU 0.486 0.132 2 0 "[ ]"
1 82 SER 0.736 0.416 2 0 "[ ]"
1 83 LEU 0.478 0.233 2 0 "[ ]"
1 84 LYS 1.431 0.233 2 0 "[ ]"
1 85 GLN 0.423 0.416 2 0 "[ ]"
1 86 ALA 0.111 0.040 2 0 "[ ]"
1 87 ASN 0.250 0.110 1 0 "[ ]"
1 88 GLU 0.000 0.000 . 0 "[ ]"
1 89 ASP 0.000 0.000 . 0 "[ ]"
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 GLN HA 1 2 GLU H 2.570 . 3.395 2.851 2.750 2.952 . 0 0 "[ ]" 1
2 1 1 GLN HB3 1 1 GLN HG3 2.319 . 2.991 2.696 2.387 3.006 0.015 1 0 "[ ]" 1
3 1 2 GLU H 1 2 GLU HB3 2.821 . 3.816 3.684 3.660 3.708 . 0 0 "[ ]" 1
4 1 2 GLU HA 1 2 GLU HB3 2.470 . 3.232 2.743 2.454 3.031 . 0 0 "[ ]" 1
5 1 2 GLU HA 1 2 GLU HG3 2.214 . 2.827 2.703 2.458 2.948 0.121 2 0 "[ ]" 1
6 1 2 GLU HA 1 6 ARG HE 2.730 . 3.661 3.758 3.749 3.767 0.106 2 0 "[ ]" 1
7 1 2 GLU HA 1 6 ARG HH11 2.326 . 3.002 2.888 2.581 3.194 0.192 1 0 "[ ]" 1
8 1 3 ASP HA 1 3 ASP HB2 2.849 . 3.864 2.913 2.803 3.023 . 0 0 "[ ]" 1
9 1 3 ASP HB3 1 6 ARG HB3 3.332 . 6.000 4.904 4.798 5.010 . 0 0 "[ ]" 1
10 1 4 PRO HA 1 7 HIS N 2.526 . 6.000 4.275 4.129 4.421 . 0 0 "[ ]" 1
11 1 4 PRO HB2 1 4 PRO HD2 4.194 . 6.393 3.463 3.310 3.615 . 0 0 "[ ]" 1
12 1 4 PRO HB2 1 5 TRP H 3.218 . 4.512 1.976 1.939 2.012 . 0 0 "[ ]" 1
13 1 4 PRO HB2 1 5 TRP HZ2 2.884 . 6.000 6.030 6.016 6.045 0.045 2 0 "[ ]" 1
14 1 4 PRO HD3 1 7 HIS HB3 3.545 . 5.116 4.294 4.102 4.485 . 0 0 "[ ]" 1
15 1 4 PRO HG2 1 5 TRP H 3.039 . 6.000 3.900 3.876 3.924 . 0 0 "[ ]" 1
16 1 4 PRO HG2 1 5 TRP HZ2 2.859 . 6.000 6.007 6.002 6.012 0.012 2 0 "[ ]" 1
17 1 4 PRO HG2 1 5 TRP N 1.774 . 6.000 4.539 4.522 4.556 . 0 0 "[ ]" 1
18 1 5 TRP HA 1 5 TRP HB3 2.685 . 3.586 2.343 2.338 2.347 . 0 0 "[ ]" 1
19 1 5 TRP HB3 1 74 LEU MD2 3.188 . 4.458 4.251 3.748 4.753 0.295 1 0 "[ ]" 1
20 1 5 TRP HD1 1 74 LEU MD2 2.542 . 3.350 1.868 1.791 1.945 . 0 0 "[ ]" 1
21 1 5 TRP NE1 1 6 ARG HA 1.938 . 6.000 5.335 5.289 5.382 . 0 0 "[ ]" 1
22 1 6 ARG HA 1 6 ARG QD 2.882 . 3.920 2.960 2.288 3.632 . 0 0 "[ ]" 1
23 1 6 ARG HA 1 9 ALA H 2.849 . 3.864 3.559 3.530 3.588 . 0 0 "[ ]" 1
24 1 6 ARG HA 1 9 ALA MB 2.614 . 3.468 3.032 2.973 3.091 . 0 0 "[ ]" 1
25 1 6 ARG HA 1 74 LEU MD2 3.028 . 4.174 2.521 2.408 2.633 . 0 0 "[ ]" 1
26 1 6 ARG HB2 1 6 ARG QD 3.078 . 4.263 2.867 2.551 3.182 . 0 0 "[ ]" 1
27 1 6 ARG HB2 1 6 ARG QG 3.225 . 4.525 2.263 2.134 2.392 . 0 0 "[ ]" 1
28 1 6 ARG HB3 1 7 HIS HB2 3.387 . 4.821 4.616 4.549 4.682 . 0 0 "[ ]" 1
29 1 6 ARG HB3 1 7 HIS N 1.433 . 6.000 3.098 3.052 3.144 . 0 0 "[ ]" 1
30 1 6 ARG HB3 1 9 ALA MB 3.625 . 5.268 5.255 5.202 5.309 0.041 2 0 "[ ]" 1
31 1 6 ARG QD 1 6 ARG HH12 3.982 . 5.964 3.473 3.455 3.492 . 0 0 "[ ]" 1
32 1 6 ARG QD 1 7 HIS HA 3.192 . 4.466 3.540 3.068 4.013 . 0 0 "[ ]" 1
33 1 6 ARG QD 1 10 ARG QB 3.370 . 4.790 4.065 3.646 4.483 . 0 0 "[ ]" 1
34 1 6 ARG QD 1 10 ARG HD2 2.591 . 3.430 2.524 2.407 2.642 . 0 0 "[ ]" 1
35 1 6 ARG QD 1 10 ARG HD3 3.459 . 4.955 4.039 3.906 4.171 . 0 0 "[ ]" 1
36 1 6 ARG QD 1 10 ARG HE 2.319 . 2.991 2.604 2.589 2.620 . 0 0 "[ ]" 1
37 1 6 ARG QD 1 74 LEU MD2 3.540 . 5.106 4.104 3.625 4.583 . 0 0 "[ ]" 1
38 1 6 ARG QG 1 9 ALA MB 2.866 . 3.892 3.796 3.696 3.896 0.004 1 0 "[ ]" 1
39 1 6 ARG QG 1 74 LEU MD2 3.665 . 5.344 3.843 3.228 4.458 . 0 0 "[ ]" 1
40 1 7 HIS H 1 7 HIS HA 2.339 . 3.023 2.797 2.764 2.830 . 0 0 "[ ]" 1
41 1 7 HIS H 1 7 HIS HB2 2.349 . 3.039 2.682 2.678 2.685 . 0 0 "[ ]" 1
42 1 7 HIS HA 1 7 HIS HB2 2.481 . 3.250 2.381 2.369 2.392 . 0 0 "[ ]" 1
43 1 7 HIS HA 1 7 HIS HB3 2.349 . 3.039 3.019 3.016 3.022 . 0 0 "[ ]" 1
44 1 7 HIS HA 1 10 ARG HG3 3.032 . 4.181 3.593 2.988 4.198 0.017 1 0 "[ ]" 1
45 1 7 HIS HB2 1 7 HIS HD1 3.255 . 4.579 3.228 2.694 3.761 . 0 0 "[ ]" 1
46 1 7 HIS HB3 1 8 PHE H 2.513 . 3.302 2.672 2.550 2.793 . 0 0 "[ ]" 1
47 1 7 HIS HD2 1 7 HIS N 1.970 . 6.000 4.966 4.883 5.050 . 0 0 "[ ]" 1
48 1 7 HIS HE1 1 11 THR HB 3.335 . 4.726 4.302 3.835 4.769 0.043 2 0 "[ ]" 1
49 1 8 PHE H 1 8 PHE HA 2.654 . 3.534 2.774 2.773 2.774 . 0 0 "[ ]" 1
50 1 8 PHE H 1 8 PHE HB2 2.593 . 3.434 2.372 2.353 2.390 . 0 0 "[ ]" 1
51 1 8 PHE H 1 8 PHE HB3 2.623 . 3.483 2.670 2.651 2.689 . 0 0 "[ ]" 1
52 1 8 PHE H 1 9 ALA N 1.031 . 6.000 3.367 3.361 3.374 . 0 0 "[ ]" 1
53 1 8 PHE HA 1 8 PHE HB2 2.718 . 3.641 2.523 2.512 2.534 . 0 0 "[ ]" 1
54 1 8 PHE HA 1 8 PHE HB3 2.262 . 6.000 3.029 3.028 3.030 . 0 0 "[ ]" 1
55 1 8 PHE HA 1 8 PHE HD1 2.721 . 3.646 3.509 3.483 3.535 . 0 0 "[ ]" 1
56 1 8 PHE HA 1 11 THR HB 2.136 . 2.706 2.742 2.738 2.746 0.040 1 0 "[ ]" 1
57 1 8 PHE HB2 1 8 PHE HD1 2.675 . 6.000 3.743 3.743 3.743 . 0 0 "[ ]" 1
58 1 8 PHE HB2 1 38 ILE MD 3.026 . 4.171 3.781 3.764 3.798 . 0 0 "[ ]" 1
59 1 8 PHE HB3 1 8 PHE HD1 2.850 . 3.865 2.685 2.683 2.686 . 0 0 "[ ]" 1
60 1 8 PHE HB3 1 9 ALA MB 3.471 . 4.977 3.801 3.790 3.812 . 0 0 "[ ]" 1
61 1 8 PHE HB3 1 38 ILE MD 3.235 . 4.543 3.806 3.779 3.833 . 0 0 "[ ]" 1
62 1 8 PHE HB3 1 72 ILE MG 3.262 . 4.592 3.385 3.332 3.439 . 0 0 "[ ]" 1
63 1 8 PHE HD1 1 8 PHE N 1.995 . 6.000 4.361 4.354 4.368 . 0 0 "[ ]" 1
64 1 8 PHE HD1 1 9 ALA N 1.638 . 6.000 2.873 2.821 2.925 . 0 0 "[ ]" 1
65 1 8 PHE HD2 1 35 GLU HB2 3.087 . 4.278 2.965 2.670 3.260 . 0 0 "[ ]" 1
66 1 8 PHE HD2 1 35 GLU HG2 2.936 . 4.014 3.536 3.035 4.037 0.023 1 0 "[ ]" 1
67 1 8 PHE HD2 1 35 GLU HG3 3.281 . 4.626 4.306 3.959 4.653 0.027 1 0 "[ ]" 1
68 1 8 PHE HE1 1 72 ILE HG13 2.421 . 3.154 2.900 2.811 2.990 . 0 0 "[ ]" 1
69 1 8 PHE HE2 1 69 VAL MG1 3.160 . 6.000 4.945 4.883 5.007 . 0 0 "[ ]" 1
70 1 8 PHE HE2 1 72 ILE MD 2.730 . 3.662 3.749 3.732 3.766 0.104 2 0 "[ ]" 1
71 1 8 PHE HE2 1 79 ILE HB 3.452 . 4.941 4.874 4.768 4.981 0.040 1 0 "[ ]" 1
72 1 8 PHE HE2 1 79 ILE MG 4.392 . 6.803 4.079 4.068 4.090 . 0 0 "[ ]" 1
73 1 8 PHE HZ 1 34 VAL HB 3.578 . 5.179 3.534 3.438 3.629 . 0 0 "[ ]" 1
74 1 8 PHE HZ 1 34 VAL MG2 2.919 . 3.984 3.227 3.087 3.368 . 0 0 "[ ]" 1
75 1 8 PHE HZ 1 69 VAL MG2 3.387 . 4.821 2.494 2.447 2.541 . 0 0 "[ ]" 1
76 1 9 ALA H 1 9 ALA HA 2.887 . 3.929 2.776 2.765 2.787 . 0 0 "[ ]" 1
77 1 9 ALA H 1 9 ALA MB 2.421 . 3.154 2.210 2.207 2.212 . 0 0 "[ ]" 1
78 1 9 ALA H 1 10 ARG N 1.693 . 6.000 3.356 3.316 3.395 . 0 0 "[ ]" 1
79 1 9 ALA HA 1 9 ALA MB 2.169 . 2.757 2.128 2.125 2.130 . 0 0 "[ ]" 1
80 1 9 ALA HA 1 10 ARG H 3.463 . 4.962 3.529 3.515 3.542 . 0 0 "[ ]" 1
81 1 9 ALA HA 1 12 HIS H 3.522 . 5.073 4.033 3.948 4.118 . 0 0 "[ ]" 1
82 1 9 ALA HA 1 72 ILE HB 3.743 . 5.494 4.681 4.614 4.748 . 0 0 "[ ]" 1
83 1 9 ALA HA 1 72 ILE MD 3.444 . 4.927 4.684 4.635 4.733 . 0 0 "[ ]" 1
84 1 9 ALA HA 1 72 ILE HG13 3.659 . 5.332 3.907 3.753 4.062 . 0 0 "[ ]" 1
85 1 9 ALA HA 1 72 ILE MG 2.711 . 3.629 3.593 3.542 3.643 0.014 2 0 "[ ]" 1
86 1 9 ALA MB 1 10 ARG H 2.852 . 3.869 2.575 2.569 2.580 . 0 0 "[ ]" 1
87 1 9 ALA MB 1 10 ARG HA 3.380 . 4.808 3.859 3.855 3.864 . 0 0 "[ ]" 1
88 1 9 ALA MB 1 72 ILE MG 2.202 . 2.808 2.741 2.728 2.754 . 0 0 "[ ]" 1
89 1 9 ALA N 1 10 ARG H 1.739 . 6.000 2.458 2.422 2.494 . 0 0 "[ ]" 1
90 1 9 ALA N 1 72 ILE MG 2.208 . 6.000 3.935 3.933 3.937 . 0 0 "[ ]" 1
91 1 10 ARG HA 1 10 ARG QB 2.448 . 3.197 2.289 2.161 2.417 . 0 0 "[ ]" 1
92 1 10 ARG HA 1 10 ARG HD2 4.336 . 6.686 5.081 4.674 5.488 . 0 0 "[ ]" 1
93 1 10 ARG HA 1 10 ARG HH11 3.504 . 5.039 5.109 5.091 5.128 0.089 1 0 "[ ]" 1
94 1 10 ARG HD2 1 10 ARG N 1.780 . 6.000 4.691 4.542 4.841 . 0 0 "[ ]" 1
95 1 10 ARG N 1 11 THR H 1.606 . 6.000 2.272 2.238 2.307 . 0 0 "[ ]" 1
96 1 11 THR H 1 11 THR HA 2.664 . 3.551 2.930 2.910 2.949 . 0 0 "[ ]" 1
97 1 11 THR H 1 11 THR MG 3.247 . 4.565 3.840 3.797 3.883 . 0 0 "[ ]" 1
98 1 11 THR HA 1 11 THR HB 2.977 . 4.085 3.027 3.027 3.027 . 0 0 "[ ]" 1
99 1 11 THR HA 1 11 THR MG 2.283 . 2.934 2.393 2.390 2.396 . 0 0 "[ ]" 1
100 1 11 THR HB 1 11 THR MG 2.354 . 3.047 2.136 2.135 2.136 . 0 0 "[ ]" 1
101 1 11 THR HB 1 12 HIS HA 3.504 . 5.039 4.583 4.551 4.615 . 0 0 "[ ]" 1
102 1 11 THR HG1 1 12 HIS N 1.609 . 6.000 4.590 4.547 4.633 . 0 0 "[ ]" 1
103 1 11 THR MG 1 12 HIS N 1.782 . 6.000 3.271 3.261 3.281 . 0 0 "[ ]" 1
104 1 12 HIS H 1 12 HIS HB2 3.260 . 4.588 2.621 2.554 2.689 . 0 0 "[ ]" 1
105 1 12 HIS HA 1 12 HIS HB2 2.684 . 3.584 3.024 3.024 3.024 . 0 0 "[ ]" 1
106 1 12 HIS HA 1 13 ALA N 1.478 . 6.000 2.526 2.455 2.597 . 0 0 "[ ]" 1
107 1 12 HIS HB2 1 13 ALA H 2.766 . 3.723 3.862 3.617 4.106 0.383 1 0 "[ ]" 1
108 1 12 HIS HE2 1 35 GLU HG2 3.665 . 5.344 4.720 4.706 4.734 . 0 0 "[ ]" 1
109 1 13 ALA H 1 13 ALA MB 2.431 . 3.170 2.283 2.245 2.322 . 0 0 "[ ]" 1
110 1 13 ALA HA 1 14 ILE H 2.922 . 3.989 2.152 2.139 2.166 . 0 0 "[ ]" 1
111 1 13 ALA HA 1 14 ILE HB 3.222 . 6.000 4.654 4.619 4.689 . 0 0 "[ ]" 1
112 1 14 ILE H 1 14 ILE HB 2.462 . 3.220 2.534 2.533 2.535 . 0 0 "[ ]" 1
113 1 14 ILE H 1 14 ILE HG12 2.607 . 3.456 3.413 3.409 3.417 . 0 0 "[ ]" 1
114 1 14 ILE H 1 14 ILE HG13 3.124 . 4.344 2.164 2.156 2.172 . 0 0 "[ ]" 1
115 1 14 ILE H 1 14 ILE MG 3.179 . 4.442 3.774 3.773 3.775 . 0 0 "[ ]" 1
116 1 14 ILE HA 1 14 ILE HB 2.955 . 4.047 3.024 3.024 3.025 . 0 0 "[ ]" 1
117 1 14 ILE HA 1 14 ILE HG12 3.019 . 4.158 2.536 2.530 2.541 . 0 0 "[ ]" 1
118 1 14 ILE HA 1 14 ILE HG13 3.115 . 4.328 3.033 3.019 3.048 . 0 0 "[ ]" 1
119 1 14 ILE HA 1 14 ILE MG 2.319 . 2.991 2.406 2.399 2.413 . 0 0 "[ ]" 1
120 1 14 ILE HA 1 15 GLY H 2.474 . 3.239 2.166 2.138 2.193 . 0 0 "[ ]" 1
121 1 14 ILE HA 1 15 GLY HA2 2.209 . 6.000 4.415 4.380 4.450 . 0 0 "[ ]" 1
122 1 14 ILE HA 1 15 GLY N 1.278 . 6.000 2.477 2.461 2.493 . 0 0 "[ ]" 1
123 1 14 ILE HA 1 16 GLN H 3.102 . 4.304 3.372 3.336 3.407 . 0 0 "[ ]" 1
124 1 14 ILE HA 1 16 GLN N 1.736 . 6.000 4.265 4.233 4.296 . 0 0 "[ ]" 1
125 1 14 ILE HB 1 14 ILE HG13 2.886 . 3.927 2.474 2.474 2.474 . 0 0 "[ ]" 1
126 1 14 ILE HB 1 14 ILE MG 2.254 . 2.889 2.129 2.129 2.129 . 0 0 "[ ]" 1
127 1 14 ILE HB 1 15 GLY N 2.112 . 6.000 3.816 3.743 3.889 . 0 0 "[ ]" 1
128 1 14 ILE MG 1 15 GLY H 2.980 . 4.090 2.621 2.433 2.809 . 0 0 "[ ]" 1
129 1 14 ILE MG 1 15 GLY HA2 2.915 . 3.977 3.430 3.258 3.602 . 0 0 "[ ]" 1
130 1 14 ILE MG 1 15 GLY HA3 2.572 . 3.399 3.435 3.431 3.439 0.040 1 0 "[ ]" 1
131 1 14 ILE MG 1 15 GLY N 1.371 . 6.000 2.601 2.483 2.719 . 0 0 "[ ]" 1
132 1 14 ILE MG 1 68 LYS HE2 3.631 . 5.279 5.006 4.715 5.297 0.018 2 0 "[ ]" 1
133 1 15 GLY H 1 15 GLY HA3 2.672 . 3.564 2.939 2.935 2.943 . 0 0 "[ ]" 1
134 1 15 GLY H 1 16 GLN N 1.690 . 6.000 2.895 2.860 2.930 . 0 0 "[ ]" 1
135 1 15 GLY H 1 69 VAL MG2 4.770 . 7.614 4.199 4.154 4.245 . 0 0 "[ ]" 1
136 1 15 GLY HA2 1 68 LYS HD3 2.632 . 6.000 4.154 4.041 4.267 . 0 0 "[ ]" 1
137 1 15 GLY HA2 1 68 LYS HE3 2.607 . 3.457 3.312 3.196 3.427 . 0 0 "[ ]" 1
138 1 15 GLY HA3 1 16 GLN H 3.665 . 5.344 3.277 3.205 3.349 . 0 0 "[ ]" 1
139 1 15 GLY HA3 1 68 LYS HE3 2.994 . 4.114 4.145 4.136 4.153 0.039 1 0 "[ ]" 1
140 1 15 GLY N 1 16 GLN H 1.607 . 6.000 2.234 2.223 2.245 . 0 0 "[ ]" 1
141 1 15 GLY N 1 68 LYS HE2 1.701 . 6.000 4.148 4.069 4.227 . 0 0 "[ ]" 1
142 1 16 GLN H 1 16 GLN HA 2.722 . 3.648 2.888 2.882 2.894 . 0 0 "[ ]" 1
143 1 16 GLN H 1 16 GLN HB3 2.435 . 3.176 2.572 2.478 2.667 . 0 0 "[ ]" 1
144 1 16 GLN H 1 16 GLN QG 2.441 . 3.186 2.294 2.176 2.413 . 0 0 "[ ]" 1
145 1 16 GLN HA 1 16 GLN HB3 2.600 . 3.445 2.531 2.487 2.575 . 0 0 "[ ]" 1
146 1 16 GLN HA 1 16 GLN QG 2.910 . 3.968 3.341 3.329 3.352 . 0 0 "[ ]" 1
147 1 16 GLN HA 1 17 ILE H 2.246 . 2.877 2.249 2.229 2.269 . 0 0 "[ ]" 1
148 1 16 GLN HA 1 17 ILE HB 3.341 . 4.737 4.562 4.488 4.637 . 0 0 "[ ]" 1
149 1 16 GLN HA 1 17 ILE N 1.459 . 6.000 2.524 2.518 2.530 . 0 0 "[ ]" 1
150 1 16 GLN HE21 1 16 GLN QG 2.806 . 3.790 2.201 2.180 2.223 . 0 0 "[ ]" 1
151 1 16 GLN HE22 1 16 GLN QG 3.060 . 4.230 3.256 3.220 3.293 . 0 0 "[ ]" 1
152 1 16 GLN QG 1 17 ILE H 2.721 . 3.827 3.567 3.529 3.604 . 0 0 "[ ]" 1
153 1 16 GLN QG 1 18 VAL QG 2.298 . 2.958 2.023 1.858 2.188 0.038 1 0 "[ ]" 1
154 1 16 GLN N 1 69 VAL MG2 1.747 . 6.000 4.508 4.322 4.694 . 0 0 "[ ]" 1
155 1 16 GLN NE2 1 18 VAL QG 1.591 . 6.000 2.744 2.533 2.955 . 0 0 "[ ]" 1
156 1 17 ILE H 1 17 ILE HB 2.645 . 3.519 2.429 2.382 2.475 . 0 0 "[ ]" 1
157 1 17 ILE H 1 17 ILE MD 3.089 . 4.282 3.081 2.319 3.842 . 0 0 "[ ]" 1
158 1 17 ILE H 1 17 ILE HG12 3.513 . 5.056 3.977 3.753 4.200 . 0 0 "[ ]" 1
159 1 17 ILE H 1 17 ILE MG 3.188 . 4.458 3.742 3.708 3.775 . 0 0 "[ ]" 1
160 1 17 ILE HA 1 17 ILE MD 2.601 . 3.447 3.309 2.874 3.745 0.298 2 0 "[ ]" 1
161 1 17 ILE HA 1 17 ILE HG12 2.878 . 3.914 3.019 2.417 3.621 . 0 0 "[ ]" 1
162 1 17 ILE HA 1 17 ILE MG 2.501 . 3.283 2.475 2.411 2.538 . 0 0 "[ ]" 1
163 1 17 ILE HA 1 18 VAL H 3.289 . 4.641 2.154 2.146 2.161 . 0 0 "[ ]" 1
164 1 17 ILE HA 1 68 LYS HA 2.836 . 3.842 2.053 2.049 2.057 . 0 0 "[ ]" 1
165 1 17 ILE HB 1 17 ILE MD 2.020 . 2.530 2.404 2.370 2.439 . 0 0 "[ ]" 1
166 1 17 ILE HB 1 17 ILE HG12 2.485 . 3.257 2.781 2.541 3.021 . 0 0 "[ ]" 1
167 1 17 ILE HB 1 17 ILE MG 2.281 . 2.931 2.126 2.120 2.133 . 0 0 "[ ]" 1
168 1 17 ILE MD 1 17 ILE MG 2.563 . 3.384 2.537 1.842 3.232 . 0 0 "[ ]" 1
169 1 17 ILE MD 1 86 ALA HA 2.393 . 3.109 2.353 1.888 2.818 . 0 0 "[ ]" 1
170 1 17 ILE MD 1 89 ASP QB 2.736 . 3.671 2.324 2.032 2.617 . 0 0 "[ ]" 1
171 1 17 ILE HG12 1 86 ALA HA 3.839 . 5.681 2.669 2.528 2.809 . 0 0 "[ ]" 1
172 1 17 ILE HG12 1 86 ALA MB 2.370 . 3.072 2.990 2.868 3.112 0.040 2 0 "[ ]" 1
173 1 17 ILE MG 1 18 VAL H 3.028 . 4.174 2.893 2.799 2.987 . 0 0 "[ ]" 1
174 1 17 ILE MG 1 18 VAL N 1.234 . 6.000 2.831 2.764 2.899 . 0 0 "[ ]" 1
175 1 17 ILE MG 1 66 MET QB 3.463 . 4.193 1.957 1.843 2.070 0.121 1 0 "[ ]" 1
176 1 17 ILE MG 1 66 MET ME 3.186 . 4.455 2.997 1.918 4.076 . 0 0 "[ ]" 1
177 1 17 ILE MG 1 66 MET HG2 3.631 . 5.279 3.528 3.050 4.005 . 0 0 "[ ]" 1
178 1 17 ILE MG 1 67 VAL H 3.496 . 5.024 3.298 3.207 3.390 . 0 0 "[ ]" 1
179 1 17 ILE MG 1 67 VAL N 1.271 . 6.000 3.042 2.918 3.166 . 0 0 "[ ]" 1
180 1 17 ILE MG 1 86 ALA HA 3.653 . 5.321 3.397 2.995 3.800 . 0 0 "[ ]" 1
181 1 18 VAL H 1 67 VAL N 1.749 . 6.000 3.432 3.322 3.543 . 0 0 "[ ]" 1
182 1 18 VAL HA 1 18 VAL HB 2.425 . 3.160 2.710 2.398 3.022 . 0 0 "[ ]" 1
183 1 18 VAL HA 1 18 VAL QG 2.688 . 3.591 2.276 2.155 2.397 . 0 0 "[ ]" 1
184 1 18 VAL HA 1 19 PRO HD2 2.276 . 2.924 2.303 2.006 2.599 . 0 0 "[ ]" 1
185 1 18 VAL HA 1 66 MET HA 2.204 . 6.000 4.302 4.261 4.344 . 0 0 "[ ]" 1
186 1 18 VAL HA 1 66 MET QB 2.980 . 4.090 3.782 3.637 3.927 . 0 0 "[ ]" 1
187 1 18 VAL HA 1 67 VAL N 1.296 . 6.000 5.215 5.201 5.229 . 0 0 "[ ]" 1
188 1 18 VAL HB 1 19 PRO HD3 2.470 . 6.000 4.680 4.592 4.768 . 0 0 "[ ]" 1
189 1 18 VAL QG 1 19 PRO HD3 2.638 . 3.508 3.189 2.979 3.398 . 0 0 "[ ]" 1
190 1 18 VAL QG 1 19 PRO HG2 3.782 . 5.570 3.458 2.885 4.032 . 0 0 "[ ]" 1
191 1 18 VAL QG 1 66 MET HA 3.433 . 4.906 4.324 4.252 4.396 . 0 0 "[ ]" 1
192 1 18 VAL N 1 66 MET HA 1.275 . 6.000 4.152 4.047 4.257 . 0 0 "[ ]" 1
193 1 18 VAL N 1 67 VAL H 1.757 . 6.000 3.442 3.388 3.495 . 0 0 "[ ]" 1
194 1 18 VAL N 1 67 VAL HB 1.771 . 6.000 5.373 5.368 5.378 . 0 0 "[ ]" 1
195 1 19 PRO HA 1 19 PRO HB2 2.552 . 3.366 2.855 2.764 2.947 . 0 0 "[ ]" 1
196 1 19 PRO HA 1 19 PRO HB3 2.470 . 3.232 2.275 2.272 2.278 . 0 0 "[ ]" 1
197 1 19 PRO HA 1 20 GLY H 2.262 . 2.902 2.115 2.109 2.122 . 0 0 "[ ]" 1
198 1 19 PRO HA 1 20 GLY HA3 3.972 . 5.944 4.377 4.365 4.389 . 0 0 "[ ]" 1
199 1 19 PRO HA 1 20 GLY N 1.276 . 6.000 2.450 2.446 2.455 . 0 0 "[ ]" 1
200 1 19 PRO HA 1 66 MET HA 1.958 . 2.437 1.784 1.782 1.785 . 0 0 "[ ]" 1
201 1 19 PRO HA 1 67 VAL MG2 2.958 . 4.052 3.949 3.806 4.091 0.039 1 0 "[ ]" 1
202 1 19 PRO HB2 1 19 PRO HD3 3.742 . 5.492 3.877 3.873 3.881 . 0 0 "[ ]" 1
203 1 19 PRO HB2 1 19 PRO HG2 2.331 . 3.010 2.315 2.314 2.317 . 0 0 "[ ]" 1
204 1 19 PRO HB2 1 20 GLY H 2.859 . 3.881 3.831 3.705 3.957 0.076 1 0 "[ ]" 1
205 1 19 PRO HB2 1 67 VAL MG2 2.519 . 6.000 6.185 5.891 6.478 0.478 1 0 "[ ]" 1
206 1 19 PRO HB3 1 19 PRO HD3 3.188 . 4.458 3.491 2.937 4.044 . 0 0 "[ ]" 1
207 1 19 PRO HB3 1 20 GLY H 3.252 . 4.574 3.858 3.723 3.993 . 0 0 "[ ]" 1
208 1 19 PRO HD3 1 19 PRO HG2 2.091 . 2.638 2.832 2.668 2.996 0.358 2 0 "[ ]" 1
209 1 19 PRO HD3 1 19 PRO HG3 1.959 . 2.439 2.317 2.312 2.322 . 0 0 "[ ]" 1
210 1 19 PRO HG3 1 20 GLY N 1.591 . 6.000 5.351 5.218 5.484 . 0 0 "[ ]" 1
211 1 20 GLY HA2 1 21 LYS N 1.450 . 6.000 2.741 2.724 2.759 . 0 0 "[ ]" 1
212 1 20 GLY HA3 1 21 LYS H 2.551 . 3.364 2.465 2.439 2.491 . 0 0 "[ ]" 1
213 1 20 GLY HA3 1 21 LYS HB3 3.727 . 5.463 5.273 5.047 5.499 0.036 2 0 "[ ]" 1
214 1 20 GLY HA3 1 21 LYS N 1.471 . 6.000 2.642 2.628 2.656 . 0 0 "[ ]" 1
215 1 20 GLY HA3 1 32 VAL QG 2.298 . 2.958 1.973 1.874 2.073 . 0 0 "[ ]" 1
216 1 20 GLY HA3 1 34 VAL MG1 3.273 . 4.612 3.033 2.965 3.101 . 0 0 "[ ]" 1
217 1 20 GLY N 1 67 VAL MG2 1.559 . 6.000 3.681 3.375 3.987 . 0 0 "[ ]" 1
218 1 21 LYS H 1 21 LYS HA 2.794 . 3.770 2.923 2.895 2.950 . 0 0 "[ ]" 1
219 1 21 LYS H 1 22 VAL N 1.845 . 6.000 3.681 3.574 3.788 . 0 0 "[ ]" 1
220 1 21 LYS H 1 32 VAL QG 2.794 . 3.770 1.946 1.890 2.002 . 0 0 "[ ]" 1
221 1 21 LYS H 1 33 ARG N 1.885 . 6.000 2.992 2.975 3.008 . 0 0 "[ ]" 1
222 1 21 LYS HA 1 21 LYS HB2 2.745 . 3.687 2.590 2.446 2.734 . 0 0 "[ ]" 1
223 1 21 LYS HA 1 21 LYS HB3 2.589 . 3.427 2.985 2.941 3.029 . 0 0 "[ ]" 1
224 1 21 LYS HA 1 21 LYS HD2 2.973 . 4.078 3.722 3.645 3.799 . 0 0 "[ ]" 1
225 1 21 LYS HA 1 21 LYS HD3 2.448 . 3.197 2.471 2.196 2.747 . 0 0 "[ ]" 1
226 1 21 LYS HA 1 21 LYS QG 2.751 . 3.697 2.599 2.251 2.948 . 0 0 "[ ]" 1
227 1 21 LYS HA 1 22 VAL H 2.279 . 2.928 2.133 2.125 2.141 . 0 0 "[ ]" 1
228 1 21 LYS HA 1 22 VAL HB 3.631 . 5.279 4.633 4.616 4.650 . 0 0 "[ ]" 1
229 1 21 LYS HA 1 22 VAL MG2 3.146 . 4.383 3.659 3.617 3.701 . 0 0 "[ ]" 1
230 1 21 LYS HA 1 22 VAL N 1.355 . 6.000 2.462 2.459 2.466 . 0 0 "[ ]" 1
231 1 21 LYS HA 1 32 VAL QG 4.080 . 6.161 3.505 3.292 3.718 . 0 0 "[ ]" 1
232 1 21 LYS HA 1 63 ASP HB3 3.429 . 4.899 4.821 4.673 4.969 0.070 1 0 "[ ]" 1
233 1 21 LYS HA 1 64 ASP N 2.031 . 6.000 3.750 3.642 3.858 . 0 0 "[ ]" 1
234 1 21 LYS HB2 1 64 ASP HA 2.949 . 4.036 4.077 4.014 4.140 0.104 2 0 "[ ]" 1
235 1 21 LYS HB3 1 21 LYS HE2 2.882 . 3.920 3.841 3.676 4.006 0.086 2 0 "[ ]" 1
236 1 21 LYS HB3 1 33 ARG HG2 2.869 . 3.898 3.879 3.777 3.980 0.082 1 0 "[ ]" 1
237 1 21 LYS HD2 1 22 VAL N 1.619 . 6.000 4.190 3.838 4.542 . 0 0 "[ ]" 1
238 1 21 LYS HD3 1 21 LYS N 1.457 . 6.000 4.296 4.104 4.487 . 0 0 "[ ]" 1
239 1 21 LYS HE2 1 21 LYS QG 2.695 . 6.000 2.663 2.316 3.011 . 0 0 "[ ]" 1
240 1 21 LYS QG 1 22 VAL H 2.999 . 4.124 3.599 3.401 3.797 . 0 0 "[ ]" 1
241 1 21 LYS QG 1 22 VAL HB 3.195 . 6.000 5.302 4.870 5.733 . 0 0 "[ ]" 1
242 1 21 LYS QG 1 64 ASP HA 3.518 . 5.065 3.720 2.687 4.753 . 0 0 "[ ]" 1
243 1 21 LYS QZ 1 64 ASP N 2.408 . 3.133 3.138 3.042 3.234 0.101 2 0 "[ ]" 1
244 1 21 LYS N 1 32 VAL QG 1.749 . 6.000 2.384 2.330 2.439 . 0 0 "[ ]" 1
245 1 21 LYS N 1 33 ARG H 1.603 . 6.000 3.303 3.185 3.420 . 0 0 "[ ]" 1
246 1 22 VAL H 1 22 VAL HB 2.572 . 3.399 2.538 2.524 2.551 . 0 0 "[ ]" 1
247 1 22 VAL H 1 22 VAL MG1 2.707 . 6.000 3.774 3.767 3.781 . 0 0 "[ ]" 1
248 1 22 VAL HA 1 22 VAL MG2 2.264 . 2.905 2.403 2.400 2.407 . 0 0 "[ ]" 1
249 1 22 VAL HA 1 23 THR H 2.294 . 2.952 2.172 2.161 2.184 . 0 0 "[ ]" 1
250 1 22 VAL HA 1 23 THR N 1.313 . 6.000 2.484 2.478 2.491 . 0 0 "[ ]" 1
251 1 22 VAL HA 1 24 LYS H 3.192 . 4.466 3.578 3.270 3.886 . 0 0 "[ ]" 1
252 1 22 VAL HA 1 32 VAL HA 2.705 . 3.620 2.291 2.059 2.523 . 0 0 "[ ]" 1
253 1 22 VAL HB 1 59 VAL MG2 3.005 . 4.134 4.135 4.131 4.139 0.005 2 0 "[ ]" 1
254 1 22 VAL HB 1 61 VAL HA 2.922 . 3.989 3.617 3.266 3.969 . 0 0 "[ ]" 1
255 1 22 VAL HB 1 62 GLY N 1.665 . 6.000 3.848 3.646 4.050 . 0 0 "[ ]" 1
256 1 22 VAL HB 1 63 ASP H 2.303 . 2.966 2.571 2.424 2.718 . 0 0 "[ ]" 1
257 1 22 VAL HB 1 63 ASP HB2 3.749 . 5.506 3.322 3.281 3.364 . 0 0 "[ ]" 1
258 1 22 VAL HB 1 63 ASP HB3 2.950 . 4.038 2.425 2.309 2.541 . 0 0 "[ ]" 1
259 1 22 VAL MG1 1 23 THR N 1.308 . 6.000 3.062 3.062 3.062 . 0 0 "[ ]" 1
260 1 22 VAL MG1 1 24 LYS N 1.396 . 6.000 3.320 3.156 3.484 . 0 0 "[ ]" 1
261 1 22 VAL MG1 1 63 ASP HB2 2.627 . 6.000 4.177 4.140 4.213 . 0 0 "[ ]" 1
262 1 22 VAL MG1 1 63 ASP N 1.551 . 6.000 4.549 4.505 4.592 . 0 0 "[ ]" 1
263 1 23 THR H 1 23 THR HB 3.252 . 4.574 2.957 2.901 3.013 . 0 0 "[ ]" 1
264 1 23 THR H 1 24 LYS HB2 2.629 . 6.000 4.519 4.288 4.749 . 0 0 "[ ]" 1
265 1 23 THR H 1 24 LYS N 1.311 . 6.000 2.909 2.849 2.969 . 0 0 "[ ]" 1
266 1 23 THR HA 1 23 THR HB 2.917 . 3.981 2.377 2.373 2.381 . 0 0 "[ ]" 1
267 1 23 THR HA 1 23 THR MG 2.529 . 3.329 3.206 3.203 3.208 . 0 0 "[ ]" 1
268 1 23 THR HA 1 61 VAL MG2 3.058 . 4.227 2.767 2.559 2.975 . 0 0 "[ ]" 1
269 1 23 THR HB 1 23 THR MG 2.276 . 2.924 2.135 2.133 2.136 . 0 0 "[ ]" 1
270 1 23 THR HB 1 24 LYS H 3.631 . 5.279 4.140 3.976 4.304 . 0 0 "[ ]" 1
271 1 23 THR HB 1 33 ARG HA 2.874 . 6.000 5.552 5.530 5.574 . 0 0 "[ ]" 1
272 1 23 THR HB 1 33 ARG HB2 2.992 . 4.111 3.685 3.209 4.161 0.050 1 0 "[ ]" 1
273 1 23 THR HB 1 61 VAL MG2 3.367 . 4.784 4.669 4.495 4.843 0.059 1 0 "[ ]" 1
274 1 23 THR HG1 1 24 LYS HB2 3.118 . 4.333 3.464 3.024 3.905 . 0 0 "[ ]" 1
275 1 23 THR HG1 1 24 LYS HB3 3.631 . 5.279 4.997 4.704 5.291 0.012 2 0 "[ ]" 1
276 1 23 THR HG1 1 24 LYS QD 3.284 . 4.632 4.429 4.381 4.478 . 0 0 "[ ]" 1
277 1 23 THR MG 1 24 LYS HB2 2.579 . 3.410 2.506 2.458 2.555 . 0 0 "[ ]" 1
278 1 23 THR MG 1 24 LYS QZ 2.681 . 6.000 5.696 5.386 6.006 0.006 2 0 "[ ]" 1
279 1 23 THR MG 1 32 VAL QG 3.545 . 5.116 4.416 4.340 4.493 . 0 0 "[ ]" 1
280 1 23 THR MG 1 33 ARG HA 2.954 . 4.045 3.829 3.604 4.055 0.010 1 0 "[ ]" 1
281 1 23 THR MG 1 33 ARG HB3 2.884 . 6.000 3.866 3.188 4.544 . 0 0 "[ ]" 1
282 1 23 THR MG 1 33 ARG QD 3.126 . 4.347 2.770 2.344 3.196 . 0 0 "[ ]" 1
283 1 23 THR MG 1 33 ARG N 1.590 . 6.000 3.370 3.206 3.534 . 0 0 "[ ]" 1
284 1 23 THR N 1 24 LYS H 1.422 . 6.000 2.351 2.191 2.510 . 0 0 "[ ]" 1
285 1 23 THR N 1 24 LYS HB2 3.349 . 4.751 4.664 4.513 4.815 0.064 1 0 "[ ]" 1
286 1 24 LYS H 1 24 LYS HB3 3.124 . 4.344 3.304 2.951 3.658 . 0 0 "[ ]" 1
287 1 24 LYS H 1 24 LYS QD 3.252 . 4.574 4.550 4.457 4.643 0.069 1 0 "[ ]" 1
288 1 24 LYS HA 1 24 LYS HB2 2.893 . 3.939 2.798 2.657 2.940 . 0 0 "[ ]" 1
289 1 24 LYS HA 1 24 LYS HB3 2.616 . 3.471 2.847 2.758 2.936 . 0 0 "[ ]" 1
290 1 24 LYS HA 1 24 LYS QD 2.977 . 4.085 2.876 1.839 3.912 0.030 2 0 "[ ]" 1
291 1 24 LYS HA 1 24 LYS HG2 2.877 . 3.912 2.649 2.577 2.720 . 0 0 "[ ]" 1
292 1 24 LYS HA 1 25 LEU H 2.329 . 3.007 2.299 2.231 2.368 . 0 0 "[ ]" 1
293 1 24 LYS HA 1 25 LEU MD1 2.679 . 3.576 2.552 2.372 2.732 . 0 0 "[ ]" 1
294 1 24 LYS HA 1 25 LEU N 1.304 . 6.000 2.546 2.511 2.581 . 0 0 "[ ]" 1
295 1 24 LYS HB2 1 24 LYS QD 2.967 . 4.068 2.871 2.267 3.476 . 0 0 "[ ]" 1
296 1 24 LYS HB2 1 31 PHE HB2 2.663 . 3.549 2.799 2.337 3.261 . 0 0 "[ ]" 1
297 1 24 LYS HB2 1 31 PHE HE2 3.128 . 6.000 5.859 5.697 6.020 0.020 1 0 "[ ]" 1
298 1 24 LYS HB3 1 24 LYS QD 2.481 . 3.250 2.737 2.494 2.980 . 0 0 "[ ]" 1
299 1 24 LYS HB3 1 24 LYS QE 3.335 . 4.726 2.010 1.886 2.135 0.058 2 0 "[ ]" 1
300 1 24 LYS HB3 1 24 LYS HG2 2.742 . 3.682 2.746 2.482 3.011 . 0 0 "[ ]" 1
301 1 24 LYS HB3 1 25 LEU H 3.370 . 4.790 3.212 3.180 3.244 . 0 0 "[ ]" 1
302 1 24 LYS QD 1 25 LEU H 3.252 . 4.574 3.449 2.749 4.149 . 0 0 "[ ]" 1
303 1 24 LYS QD 1 25 LEU N 1.298 . 6.000 3.980 3.396 4.563 . 0 0 "[ ]" 1
304 1 24 LYS QD 1 26 VAL MG1 2.831 . 6.000 4.379 4.327 4.431 . 0 0 "[ ]" 1
305 1 24 LYS QE 1 24 LYS HG2 2.796 . 3.773 3.052 2.785 3.319 . 0 0 "[ ]" 1
306 1 24 LYS QE 1 24 LYS HG3 2.998 . 4.121 3.003 2.477 3.529 . 0 0 "[ ]" 1
307 1 24 LYS QE 1 24 LYS N 1.549 . 6.000 4.662 4.445 4.878 . 0 0 "[ ]" 1
308 1 24 LYS QE 1 26 VAL MG1 3.292 . 4.646 2.988 2.557 3.419 . 0 0 "[ ]" 1
309 1 24 LYS QE 1 31 PHE HD2 2.868 . 3.864 2.974 2.228 3.719 . 0 0 "[ ]" 1
310 1 24 LYS HG2 1 25 LEU H 3.218 . 4.512 3.288 2.006 4.570 0.058 2 0 "[ ]" 1
311 1 24 LYS QZ 1 25 LEU N 2.055 . 2.583 2.772 2.756 2.789 0.206 1 0 "[ ]" 1
312 1 25 LEU H 1 25 LEU HB3 3.118 . 4.333 3.603 3.567 3.639 . 0 0 "[ ]" 1
313 1 25 LEU H 1 25 LEU MD1 2.952 . 4.041 2.131 2.048 2.215 . 0 0 "[ ]" 1
314 1 25 LEU H 1 25 LEU MD2 3.531 . 5.089 2.346 2.258 2.433 . 0 0 "[ ]" 1
315 1 25 LEU H 1 26 VAL MG1 2.801 . 3.781 3.824 3.822 3.826 0.045 2 0 "[ ]" 1
316 1 25 LEU H 1 26 VAL N 1.854 . 6.000 3.907 3.884 3.931 . 0 0 "[ ]" 1
317 1 25 LEU HA 1 25 LEU HB2 2.362 . 3.059 2.554 2.543 2.565 . 0 0 "[ ]" 1
318 1 25 LEU HA 1 25 LEU HB3 2.883 . 3.922 2.302 2.290 2.315 . 0 0 "[ ]" 1
319 1 25 LEU HA 1 25 LEU MD1 2.874 . 3.907 3.431 3.404 3.458 . 0 0 "[ ]" 1
320 1 25 LEU HA 1 25 LEU MD2 2.604 . 3.452 3.526 3.523 3.529 0.077 2 0 "[ ]" 1
321 1 25 LEU HA 1 26 VAL N 1.253 . 6.000 2.478 2.447 2.508 . 0 0 "[ ]" 1
322 1 25 LEU HB2 1 25 LEU MD1 2.180 . 6.000 3.210 3.207 3.214 . 0 0 "[ ]" 1
323 1 25 LEU HB2 1 55 PRO HB3 1.773 . 6.000 3.653 3.561 3.745 . 0 0 "[ ]" 1
324 1 25 LEU HB3 1 25 LEU MD1 2.252 . 2.886 2.360 2.359 2.361 . 0 0 "[ ]" 1
325 1 25 LEU HB3 1 26 VAL H 3.440 . 4.919 3.680 3.657 3.704 . 0 0 "[ ]" 1
326 1 25 LEU HB3 1 26 VAL N 1.383 . 6.000 3.960 3.942 3.978 . 0 0 "[ ]" 1
327 1 25 LEU HB3 1 55 PRO HB2 2.406 . 6.000 2.972 2.925 3.019 . 0 0 "[ ]" 1
328 1 25 LEU MD1 1 26 VAL N 1.498 . 6.000 4.695 4.663 4.727 . 0 0 "[ ]" 1
329 1 25 LEU MD1 1 56 ASP HB3 2.725 . 6.000 5.768 5.567 5.969 . 0 0 "[ ]" 1
330 1 25 LEU MD1 1 56 ASP N 1.583 . 6.000 5.062 4.967 5.158 . 0 0 "[ ]" 1
331 1 25 LEU MD1 1 59 VAL HA 2.766 . 6.000 6.029 6.009 6.049 0.049 2 0 "[ ]" 1
332 1 25 LEU MD1 1 61 VAL H 2.770 . 3.729 2.554 2.551 2.556 . 0 0 "[ ]" 1
333 1 25 LEU MD1 1 61 VAL HA 2.071 . 2.607 2.705 2.686 2.724 0.117 1 0 "[ ]" 1
334 1 25 LEU MD1 1 61 VAL N 1.338 . 6.000 2.753 2.726 2.780 . 0 0 "[ ]" 1
335 1 25 LEU MD2 1 25 LEU HG 3.270 . 4.607 2.114 2.113 2.116 . 0 0 "[ ]" 1
336 1 25 LEU MD2 1 30 ALA HA 2.754 . 6.000 5.033 4.941 5.124 . 0 0 "[ ]" 1
337 1 25 LEU MD2 1 55 PRO HD3 2.681 . 6.000 5.608 5.486 5.729 . 0 0 "[ ]" 1
338 1 25 LEU MD2 1 55 PRO HG2 3.252 . 4.574 4.428 4.259 4.597 0.023 2 0 "[ ]" 1
339 1 25 LEU MD2 1 61 VAL H 3.836 . 5.675 4.162 4.125 4.199 . 0 0 "[ ]" 1
340 1 25 LEU HG 1 55 PRO HB2 2.178 . 6.000 3.100 3.092 3.108 . 0 0 "[ ]" 1
341 1 26 VAL H 1 26 VAL MG2 2.920 . 3.986 2.301 2.252 2.350 . 0 0 "[ ]" 1
342 1 26 VAL H 1 29 GLY N 1.801 . 6.000 4.008 3.960 4.056 . 0 0 "[ ]" 1
343 1 26 VAL HA 1 26 VAL HB 2.754 . 3.702 2.524 2.443 2.605 . 0 0 "[ ]" 1
344 1 26 VAL HA 1 26 VAL MG1 2.057 . 2.586 2.335 2.257 2.414 . 0 0 "[ ]" 1
345 1 26 VAL HA 1 26 VAL MG2 3.037 . 4.190 3.202 3.186 3.218 . 0 0 "[ ]" 1
346 1 26 VAL HA 1 55 PRO HD2 2.573 . 6.000 4.235 4.086 4.384 . 0 0 "[ ]" 1
347 1 26 VAL HB 1 26 VAL MG1 2.352 . 3.043 2.126 2.125 2.128 . 0 0 "[ ]" 1
348 1 26 VAL HB 1 27 PRO HD2 2.760 . 3.712 2.060 1.976 2.145 . 0 0 "[ ]" 1
349 1 26 VAL MG1 1 26 VAL MG2 2.341 . 3.026 2.080 2.079 2.081 . 0 0 "[ ]" 1
350 1 26 VAL MG1 1 28 PHE HD1 4.909 . 7.921 6.104 6.054 6.154 . 0 0 "[ ]" 1
351 1 26 VAL MG1 1 28 PHE HE2 2.470 . 6.000 4.005 3.620 4.390 . 0 0 "[ ]" 1
352 1 26 VAL MG1 1 31 PHE HE2 2.981 . 4.092 3.303 2.542 4.063 . 0 0 "[ ]" 1
353 1 26 VAL MG2 1 27 PRO HD2 4.095 . 6.191 3.503 3.211 3.794 . 0 0 "[ ]" 1
354 1 26 VAL MG2 1 28 PHE HD1 3.545 . 5.116 3.717 3.658 3.776 . 0 0 "[ ]" 1
355 1 26 VAL MG2 1 28 PHE HE1 2.887 . 3.929 3.323 3.090 3.556 . 0 0 "[ ]" 1
356 1 26 VAL MG2 1 28 PHE HZ 3.262 . 4.592 2.913 2.595 3.231 . 0 0 "[ ]" 1
357 1 26 VAL MG2 1 29 GLY N 1.525 . 6.000 2.889 2.797 2.981 . 0 0 "[ ]" 1
358 1 26 VAL MG2 1 30 ALA HA 3.683 . 5.378 3.712 3.571 3.854 . 0 0 "[ ]" 1
359 1 26 VAL MG2 1 31 PHE HE2 2.934 . 4.010 2.647 2.408 2.887 . 0 0 "[ ]" 1
360 1 26 VAL N 1 27 PRO HD3 1.685 . 6.000 4.065 3.986 4.143 . 0 0 "[ ]" 1
361 1 26 VAL N 1 29 GLY H 2.101 . 6.000 3.926 3.904 3.948 . 0 0 "[ ]" 1
362 1 26 VAL N 1 55 PRO HB3 1.508 . 6.000 5.655 5.446 5.864 . 0 0 "[ ]" 1
363 1 26 VAL N 1 55 PRO HG3 1.537 . 6.000 5.107 4.895 5.320 . 0 0 "[ ]" 1
364 1 27 PRO HB2 1 28 PHE HB3 2.180 . 6.000 3.827 3.668 3.985 . 0 0 "[ ]" 1
365 1 27 PRO HG3 1 54 VAL MG1 3.471 . 4.977 4.902 4.821 4.983 0.006 1 0 "[ ]" 1
366 1 28 PHE HA 1 28 PHE HB3 2.568 . 3.392 2.389 2.383 2.396 . 0 0 "[ ]" 1
367 1 28 PHE HA 1 44 ILE HB 2.884 . 3.924 2.494 2.469 2.518 . 0 0 "[ ]" 1
368 1 28 PHE HA 1 44 ILE MG 2.671 . 3.563 3.328 3.071 3.585 0.022 2 0 "[ ]" 1
369 1 28 PHE HB2 1 28 PHE HD2 2.726 . 3.655 3.637 3.618 3.657 0.002 2 0 "[ ]" 1
370 1 28 PHE HB2 1 29 GLY HA2 2.599 . 6.000 5.172 5.085 5.258 . 0 0 "[ ]" 1
371 1 28 PHE HB2 1 44 ILE MG 3.257 . 4.583 4.279 4.272 4.286 . 0 0 "[ ]" 1
372 1 28 PHE HB3 1 28 PHE HD2 2.685 . 3.586 2.415 2.379 2.451 . 0 0 "[ ]" 1
373 1 28 PHE HB3 1 44 ILE MG 3.175 . 4.435 4.635 4.594 4.676 0.241 2 0 "[ ]" 1
374 1 28 PHE HD2 1 29 GLY N 2.013 . 6.000 4.995 4.935 5.054 . 0 0 "[ ]" 1
375 1 29 GLY H 1 29 GLY HA3 2.905 . 3.960 2.840 2.791 2.888 . 0 0 "[ ]" 1
376 1 29 GLY H 1 30 ALA N 2.290 . 6.000 3.891 3.885 3.896 . 0 0 "[ ]" 1
377 1 29 GLY HA2 1 30 ALA N 1.504 . 6.000 2.570 2.556 2.585 . 0 0 "[ ]" 1
378 1 29 GLY HA3 1 30 ALA H 2.776 . 3.739 2.819 2.805 2.834 . 0 0 "[ ]" 1
379 1 29 GLY HA3 1 30 ALA N 1.803 . 6.000 2.833 2.821 2.844 . 0 0 "[ ]" 1
380 1 29 GLY N 1 30 ALA H 2.196 . 6.000 3.922 3.910 3.935 . 0 0 "[ ]" 1
381 1 29 GLY N 1 55 PRO HD3 2.545 . 6.000 4.407 4.039 4.776 . 0 0 "[ ]" 1
382 1 30 ALA H 1 30 ALA MB 2.974 . 4.080 2.480 2.460 2.501 . 0 0 "[ ]" 1
383 1 30 ALA H 1 42 VAL N 1.785 . 6.000 2.665 2.611 2.720 . 0 0 "[ ]" 1
384 1 30 ALA HA 1 30 ALA MB 2.481 . 3.250 2.129 2.128 2.129 . 0 0 "[ ]" 1
385 1 30 ALA HA 1 31 PHE H 2.522 . 3.317 2.212 2.127 2.297 . 0 0 "[ ]" 1
386 1 30 ALA HA 1 31 PHE N 1.308 . 6.000 2.495 2.454 2.536 . 0 0 "[ ]" 1
387 1 30 ALA HA 1 42 VAL N 1.761 . 6.000 5.072 4.983 5.160 . 0 0 "[ ]" 1
388 1 30 ALA MB 1 31 PHE H 2.716 . 3.638 2.881 2.651 3.111 . 0 0 "[ ]" 1
389 1 30 ALA MB 1 31 PHE HA 2.911 . 6.000 4.324 4.200 4.448 . 0 0 "[ ]" 1
390 1 30 ALA MB 1 42 VAL HB 2.452 . 6.000 4.440 4.401 4.478 . 0 0 "[ ]" 1
391 1 30 ALA MB 1 47 LEU HG 3.620 . 5.258 4.939 4.587 5.290 0.032 2 0 "[ ]" 1
392 1 30 ALA MB 1 55 PRO HB2 3.518 . 5.065 2.876 2.775 2.977 . 0 0 "[ ]" 1
393 1 30 ALA N 1 41 LEU MD1 1.555 . 6.000 4.995 4.442 5.549 . 0 0 "[ ]" 1
394 1 30 ALA N 1 42 VAL H 1.870 . 2.307 2.573 2.507 2.638 0.331 1 0 "[ ]" 1
395 1 30 ALA N 1 42 VAL HB 2.049 . 6.000 5.301 5.249 5.352 . 0 0 "[ ]" 1
396 1 31 PHE H 1 31 PHE HB2 2.736 . 3.671 2.337 2.245 2.430 . 0 0 "[ ]" 1
397 1 31 PHE H 1 31 PHE HB3 2.925 . 3.995 3.592 3.531 3.653 . 0 0 "[ ]" 1
398 1 31 PHE HA 1 31 PHE HB3 2.638 . 3.508 2.587 2.562 2.612 . 0 0 "[ ]" 1
399 1 31 PHE HA 1 31 PHE HD1 3.335 . 4.726 2.933 2.770 3.097 . 0 0 "[ ]" 1
400 1 31 PHE HA 1 32 VAL H 2.256 . 2.892 2.095 2.089 2.101 . 0 0 "[ ]" 1
401 1 31 PHE HA 1 32 VAL HB 2.869 . 6.000 4.447 4.363 4.532 . 0 0 "[ ]" 1
402 1 31 PHE HA 1 32 VAL QG 2.855 . 6.000 3.810 3.658 3.962 . 0 0 "[ ]" 1
403 1 31 PHE HA 1 32 VAL N 1.304 . 6.000 2.435 2.431 2.438 . 0 0 "[ ]" 1
404 1 31 PHE HA 1 41 LEU HA 2.578 . 3.409 2.445 2.263 2.627 . 0 0 "[ ]" 1
405 1 31 PHE HB2 1 32 VAL N 1.656 . 6.000 4.094 4.044 4.144 . 0 0 "[ ]" 1
406 1 31 PHE HB2 1 40 GLY N 2.145 . 6.000 5.847 5.663 6.031 0.031 1 0 "[ ]" 1
407 1 31 PHE HB3 1 39 GLU HB3 3.037 . 4.190 2.135 2.101 2.170 . 0 0 "[ ]" 1
408 1 31 PHE HB3 1 39 GLU QG 3.360 . 4.771 3.434 3.270 3.598 . 0 0 "[ ]" 1
409 1 31 PHE HE1 1 39 GLU HB2 2.876 . 3.910 3.981 3.948 4.015 0.105 2 0 "[ ]" 1
410 1 32 VAL H 1 32 VAL HB 2.662 . 3.548 2.561 2.460 2.662 . 0 0 "[ ]" 1
411 1 32 VAL H 1 32 VAL QG 3.762 . 5.532 2.319 2.284 2.353 . 0 0 "[ ]" 1
412 1 32 VAL HA 1 32 VAL QG 2.636 . 3.505 2.166 2.127 2.206 . 0 0 "[ ]" 1
413 1 32 VAL QG 1 33 ARG H 2.988 . 4.104 2.725 2.533 2.917 . 0 0 "[ ]" 1
414 1 32 VAL QG 1 33 ARG N 1.468 . 6.000 2.691 2.610 2.771 . 0 0 "[ ]" 1
415 1 32 VAL QG 1 34 VAL MG2 3.787 . 5.580 3.401 3.175 3.626 . 0 0 "[ ]" 1
416 1 32 VAL QG 1 40 GLY H 3.144 . 4.379 3.189 2.462 3.916 . 0 0 "[ ]" 1
417 1 32 VAL QG 1 41 LEU HA 3.722 . 5.453 4.328 3.902 4.753 . 0 0 "[ ]" 1
418 1 32 VAL QG 1 67 VAL MG2 1.552 . 6.000 2.436 2.263 2.610 . 0 0 "[ ]" 1
419 1 32 VAL N 1 34 VAL MG1 1.386 . 6.000 5.096 5.027 5.164 . 0 0 "[ ]" 1
420 1 33 ARG H 1 33 ARG HB2 3.177 . 4.439 2.531 2.374 2.689 . 0 0 "[ ]" 1
421 1 33 ARG H 1 33 ARG HB3 3.098 . 4.298 2.953 2.309 3.597 . 0 0 "[ ]" 1
422 1 33 ARG HA 1 33 ARG QD 2.894 . 3.941 2.180 2.045 2.314 . 0 0 "[ ]" 1
423 1 33 ARG HA 1 33 ARG HG2 2.874 . 3.907 3.369 2.876 3.862 . 0 0 "[ ]" 1
424 1 33 ARG HA 1 34 VAL N 1.263 . 6.000 2.479 2.477 2.481 . 0 0 "[ ]" 1
425 1 33 ARG HA 1 39 GLU HA 2.379 . 3.086 2.840 2.709 2.971 . 0 0 "[ ]" 1
426 1 33 ARG HA 1 39 GLU QG 2.917 . 3.981 2.536 2.202 2.869 . 0 0 "[ ]" 1
427 1 33 ARG HB2 1 33 ARG QD 2.851 . 3.867 2.886 2.313 3.458 . 0 0 "[ ]" 1
428 1 33 ARG HB2 1 33 ARG HE 4.031 . 6.062 4.005 3.585 4.426 . 0 0 "[ ]" 1
429 1 33 ARG HB2 1 33 ARG HG2 2.146 . 2.722 2.495 2.478 2.512 . 0 0 "[ ]" 1
430 1 33 ARG HB2 1 34 VAL H 2.804 . 6.000 4.362 4.298 4.427 . 0 0 "[ ]" 1
431 1 33 ARG HB2 1 34 VAL HA 2.838 . 6.000 5.397 4.969 5.826 . 0 0 "[ ]" 1
432 1 33 ARG HB3 1 34 VAL HA 2.887 . 6.000 4.806 4.671 4.942 . 0 0 "[ ]" 1
433 1 33 ARG QD 1 33 ARG HG3 2.421 . 3.154 2.357 2.309 2.405 . 0 0 "[ ]" 1
434 1 33 ARG QD 1 33 ARG N 2.321 . 6.000 3.689 3.466 3.913 . 0 0 "[ ]" 1
435 1 33 ARG QD 1 37 GLY N 1.863 . 6.000 4.836 4.668 5.003 . 0 0 "[ ]" 1
436 1 33 ARG QD 1 39 GLU QG 2.046 . 2.569 2.100 1.835 2.365 . 0 0 "[ ]" 1
437 1 33 ARG HG2 1 33 ARG HH11 3.142 . 4.376 4.196 4.119 4.273 . 0 0 "[ ]" 1
438 1 33 ARG HG3 1 33 ARG HH22 2.853 . 6.000 5.663 5.446 5.879 . 0 0 "[ ]" 1
439 1 33 ARG HH21 1 36 GLU N 2.202 . 6.000 4.211 3.968 4.453 . 0 0 "[ ]" 1
440 1 33 ARG N 1 34 VAL HA 1.333 . 6.000 4.704 4.699 4.708 . 0 0 "[ ]" 1
441 1 34 VAL H 1 34 VAL HB 3.404 . 4.852 3.683 3.657 3.709 . 0 0 "[ ]" 1
442 1 34 VAL H 1 34 VAL MG1 4.002 . 6.004 2.993 2.937 3.049 . 0 0 "[ ]" 1
443 1 34 VAL H 1 34 VAL MG2 2.724 . 3.651 1.870 1.805 1.934 . 0 0 "[ ]" 1
444 1 34 VAL H 1 39 GLU HA 2.985 . 4.099 3.391 3.340 3.441 . 0 0 "[ ]" 1
445 1 34 VAL HA 1 34 VAL HB 2.743 . 3.684 2.562 2.558 2.566 . 0 0 "[ ]" 1
446 1 34 VAL HA 1 34 VAL MG2 2.963 . 4.061 3.177 3.176 3.177 . 0 0 "[ ]" 1
447 1 34 VAL HB 1 34 VAL MG1 3.011 . 4.144 2.132 2.132 2.132 . 0 0 "[ ]" 1
448 1 34 VAL HB 1 35 GLU H 3.746 . 5.501 3.548 3.449 3.646 . 0 0 "[ ]" 1
449 1 34 VAL MG1 1 34 VAL MG2 2.704 . 3.618 2.083 2.081 2.085 . 0 0 "[ ]" 1
450 1 34 VAL MG1 1 40 GLY H 3.377 . 4.802 4.224 3.970 4.478 . 0 0 "[ ]" 1
451 1 34 VAL MG1 1 40 GLY N 1.482 . 6.000 4.853 4.537 5.169 . 0 0 "[ ]" 1
452 1 34 VAL MG2 1 34 VAL N 1.823 . 2.239 2.323 2.319 2.328 0.089 2 0 "[ ]" 1
453 1 34 VAL MG2 1 35 GLU H 3.040 . 4.195 2.044 1.935 2.153 . 0 0 "[ ]" 1
454 1 34 VAL MG2 1 35 GLU HB2 3.084 . 4.273 3.239 3.147 3.331 . 0 0 "[ ]" 1
455 1 34 VAL MG2 1 35 GLU HB3 3.306 . 4.672 2.991 2.840 3.142 . 0 0 "[ ]" 1
456 1 34 VAL MG2 1 38 ILE HB 2.767 . 6.000 4.407 4.388 4.426 . 0 0 "[ ]" 1
457 1 34 VAL MG2 1 38 ILE HG12 2.331 . 3.010 3.069 3.068 3.069 0.059 1 0 "[ ]" 1
458 1 34 VAL MG2 1 38 ILE HG13 2.403 . 6.000 4.397 4.369 4.426 . 0 0 "[ ]" 1
459 1 34 VAL MG2 1 38 ILE MG 2.639 . 3.510 1.882 1.812 1.951 . 0 0 "[ ]" 1
460 1 34 VAL MG2 1 39 GLU HA 3.014 . 4.150 3.301 3.219 3.383 . 0 0 "[ ]" 1
461 1 35 GLU H 1 35 GLU HB2 3.089 . 4.282 3.275 3.235 3.315 . 0 0 "[ ]" 1
462 1 35 GLU H 1 35 GLU HG2 3.492 . 5.016 4.854 4.657 5.051 0.035 2 0 "[ ]" 1
463 1 35 GLU HA 1 35 GLU HB2 2.673 . 3.566 2.495 2.465 2.525 . 0 0 "[ ]" 1
464 1 35 GLU HA 1 35 GLU HB3 2.810 . 3.797 3.032 3.030 3.034 . 0 0 "[ ]" 1
465 1 35 GLU HA 1 35 GLU HG2 3.230 . 4.534 3.540 3.307 3.772 . 0 0 "[ ]" 1
466 1 35 GLU HA 1 35 GLU HG3 3.367 . 4.784 2.776 2.376 3.175 . 0 0 "[ ]" 1
467 1 35 GLU HA 1 36 GLU H 2.445 . 3.192 2.318 2.313 2.323 . 0 0 "[ ]" 1
468 1 35 GLU HA 1 36 GLU N 1.414 . 6.000 2.556 2.548 2.565 . 0 0 "[ ]" 1
469 1 35 GLU HB2 1 36 GLU H 3.102 . 4.304 3.997 3.915 4.080 . 0 0 "[ ]" 1
470 1 35 GLU HB2 1 38 ILE MG 3.096 . 4.294 3.245 3.237 3.253 . 0 0 "[ ]" 1
471 1 35 GLU HB3 1 35 GLU HG2 2.546 . 3.356 2.369 2.309 2.428 . 0 0 "[ ]" 1
472 1 35 GLU HB3 1 35 GLU HG3 2.406 . 3.129 2.704 2.424 2.984 . 0 0 "[ ]" 1
473 1 35 GLU HB3 1 38 ILE HB 3.017 . 4.155 4.196 4.187 4.205 0.050 2 0 "[ ]" 1
474 1 35 GLU HB3 1 38 ILE HG12 6.075 . 10.689 5.042 4.966 5.118 . 0 0 "[ ]" 1
475 1 35 GLU HB3 1 38 ILE MG 3.199 . 4.478 1.921 1.876 1.966 0.044 2 0 "[ ]" 1
476 1 35 GLU HB3 1 38 ILE N 2.233 . 6.000 4.540 4.502 4.579 . 0 0 "[ ]" 1
477 1 35 GLU HG2 1 36 GLU HB2 1.641 . 6.000 5.415 4.882 5.948 . 0 0 "[ ]" 1
478 1 35 GLU HG3 1 36 GLU H 3.278 . 4.621 2.380 2.323 2.437 . 0 0 "[ ]" 1
479 1 35 GLU HG3 1 36 GLU HB2 1.690 . 6.000 4.537 4.383 4.690 . 0 0 "[ ]" 1
480 1 35 GLU N 1 38 ILE HB 1.555 . 6.000 5.770 5.737 5.803 . 0 0 "[ ]" 1
481 1 36 GLU H 1 36 GLU HA 2.835 . 3.840 2.788 2.781 2.795 . 0 0 "[ ]" 1
482 1 36 GLU H 1 36 GLU HB3 2.412 . 3.139 2.551 2.525 2.577 . 0 0 "[ ]" 1
483 1 36 GLU H 1 37 GLY N 1.848 . 6.000 4.269 4.249 4.288 . 0 0 "[ ]" 1
484 1 36 GLU HA 1 36 GLU HB3 2.441 . 3.186 3.023 3.021 3.025 . 0 0 "[ ]" 1
485 1 36 GLU HA 1 36 GLU HG3 2.824 . 3.821 2.837 2.561 3.113 . 0 0 "[ ]" 1
486 1 36 GLU HA 1 37 GLY H 2.418 . 3.149 2.123 2.114 2.132 . 0 0 "[ ]" 1
487 1 36 GLU HA 1 37 GLY N 1.250 . 6.000 2.450 2.445 2.455 . 0 0 "[ ]" 1
488 1 36 GLU HA 1 38 ILE H 3.479 . 4.992 3.684 3.678 3.690 . 0 0 "[ ]" 1
489 1 36 GLU HB3 1 37 GLY N 1.637 . 6.000 3.933 3.922 3.944 . 0 0 "[ ]" 1
490 1 37 GLY H 1 37 GLY HA2 2.746 . 3.689 2.406 2.406 2.406 . 0 0 "[ ]" 1
491 1 37 GLY H 1 37 GLY HA3 2.702 . 3.615 2.941 2.940 2.942 . 0 0 "[ ]" 1
492 1 37 GLY H 1 38 ILE N 1.863 . 6.000 2.998 2.970 3.027 . 0 0 "[ ]" 1
493 1 37 GLY HA2 1 38 ILE H 3.665 . 5.344 3.442 3.414 3.469 . 0 0 "[ ]" 1
494 1 37 GLY HA3 1 38 ILE H 3.218 . 4.512 3.165 3.107 3.224 . 0 0 "[ ]" 1
495 1 37 GLY N 1 38 ILE H 1.658 . 6.000 2.327 2.315 2.340 . 0 0 "[ ]" 1
496 1 38 ILE H 1 38 ILE HB 3.208 . 4.495 3.148 3.072 3.223 . 0 0 "[ ]" 1
497 1 38 ILE HA 1 38 ILE HG12 3.526 . 5.080 3.330 3.327 3.333 . 0 0 "[ ]" 1
498 1 38 ILE HA 1 38 ILE HG13 2.912 . 3.972 2.250 2.225 2.276 . 0 0 "[ ]" 1
499 1 38 ILE HA 1 38 ILE MG 2.477 . 3.244 3.214 3.210 3.218 . 0 0 "[ ]" 1
500 1 38 ILE HA 1 39 GLU H 2.349 . 3.039 2.088 2.073 2.104 . 0 0 "[ ]" 1
501 1 38 ILE HA 1 39 GLU N 1.290 . 6.000 2.426 2.419 2.433 . 0 0 "[ ]" 1
502 1 38 ILE HB 1 38 ILE HG12 2.641 . 3.513 2.980 2.976 2.984 . 0 0 "[ ]" 1
503 1 38 ILE HB 1 38 ILE MG 2.441 . 3.186 2.124 2.118 2.130 . 0 0 "[ ]" 1
504 1 38 ILE HB 1 38 ILE N 2.658 . 3.541 2.684 2.678 2.690 . 0 0 "[ ]" 1
505 1 38 ILE HB 1 39 GLU N 2.126 . 6.000 4.264 4.255 4.273 . 0 0 "[ ]" 1
506 1 38 ILE MD 1 38 ILE N 2.227 . 6.000 4.366 4.355 4.378 . 0 0 "[ ]" 1
507 1 38 ILE MD 1 79 ILE MG 2.970 . 4.073 2.799 2.740 2.859 . 0 0 "[ ]" 1
508 1 38 ILE HG12 1 38 ILE MG 2.513 . 3.302 2.199 2.169 2.229 . 0 0 "[ ]" 1
509 1 38 ILE HG12 1 79 ILE MD 2.984 . 4.097 3.399 3.310 3.487 . 0 0 "[ ]" 1
510 1 38 ILE HG13 1 38 ILE MG 2.677 . 3.573 3.137 3.126 3.147 . 0 0 "[ ]" 1
511 1 38 ILE HG13 1 38 ILE N 3.588 . 5.197 3.906 3.890 3.922 . 0 0 "[ ]" 1
512 1 38 ILE HG13 1 39 GLU N 2.152 . 2.731 2.872 2.867 2.878 0.147 1 0 "[ ]" 1
513 1 38 ILE MG 1 39 GLU N 1.614 . 6.000 3.486 3.458 3.514 . 0 0 "[ ]" 1
514 1 38 ILE MG 1 79 ILE MD 2.314 . 2.983 3.221 3.209 3.232 0.249 2 0 "[ ]" 1
515 1 38 ILE MG 1 79 ILE MG 2.774 . 3.736 2.946 2.857 3.034 . 0 0 "[ ]" 1
516 1 39 GLU H 1 39 GLU HB2 3.540 . 5.106 2.637 2.609 2.664 . 0 0 "[ ]" 1
517 1 39 GLU H 1 79 ILE HB 2.607 . 6.000 5.691 5.415 5.967 . 0 0 "[ ]" 1
518 1 39 GLU H 1 79 ILE MG 4.986 . 8.093 3.646 3.335 3.957 . 0 0 "[ ]" 1
519 1 39 GLU HA 1 39 GLU HB2 2.575 . 3.404 3.029 3.025 3.034 . 0 0 "[ ]" 1
520 1 39 GLU HA 1 39 GLU QG 2.970 . 4.073 2.412 2.398 2.425 . 0 0 "[ ]" 1
521 1 39 GLU HA 1 40 GLY H 2.628 . 3.492 2.201 2.160 2.242 . 0 0 "[ ]" 1
522 1 39 GLU HA 1 40 GLY QA 3.902 . 5.805 3.865 3.842 3.889 . 0 0 "[ ]" 1
523 1 39 GLU HA 1 40 GLY N 1.359 . 6.000 2.489 2.463 2.515 . 0 0 "[ ]" 1
524 1 39 GLU HB2 1 40 GLY N 1.494 . 6.000 3.818 3.792 3.844 . 0 0 "[ ]" 1
525 1 40 GLY H 1 40 GLY QA 3.940 . 5.881 2.338 2.272 2.405 . 0 0 "[ ]" 1
526 1 40 GLY H 1 79 ILE MD 3.367 . 4.784 4.639 4.488 4.790 0.006 2 0 "[ ]" 1
527 1 40 GLY H 1 81 LEU MD1 3.091 . 4.285 3.628 3.594 3.663 . 0 0 "[ ]" 1
528 1 40 GLY QA 1 41 LEU H 2.646 . 3.521 2.117 2.111 2.123 . 0 0 "[ ]" 1
529 1 40 GLY QA 1 41 LEU N 1.588 . 6.000 2.359 2.351 2.367 . 0 0 "[ ]" 1
530 1 40 GLY QA 1 79 ILE HB 3.105 . 4.310 4.139 4.097 4.182 . 0 0 "[ ]" 1
531 1 40 GLY QA 1 79 ILE MG 3.213 . 4.503 1.794 1.731 1.856 0.192 1 0 "[ ]" 1
532 1 40 GLY QA 1 80 SER HA 2.114 . 6.000 3.925 3.817 4.033 . 0 0 "[ ]" 1
533 1 40 GLY QA 1 81 LEU MD1 3.105 . 4.216 2.465 2.048 2.882 . 0 0 "[ ]" 1
534 1 40 GLY N 1 41 LEU H 1.924 . 6.000 3.700 3.631 3.769 . 0 0 "[ ]" 1
535 1 41 LEU H 1 41 LEU HB2 2.881 . 3.918 3.192 2.748 3.637 . 0 0 "[ ]" 1
536 1 41 LEU H 1 41 LEU HB3 2.908 . 3.965 2.559 2.495 2.623 . 0 0 "[ ]" 1
537 1 41 LEU H 1 41 LEU MD2 3.636 . 5.289 3.841 3.618 4.064 . 0 0 "[ ]" 1
538 1 41 LEU HA 1 41 LEU HB2 2.664 . 3.551 2.424 2.374 2.474 . 0 0 "[ ]" 1
539 1 41 LEU HA 1 42 VAL H 2.241 . 2.869 2.180 2.170 2.190 . 0 0 "[ ]" 1
540 1 41 LEU HA 1 42 VAL MG1 2.693 . 3.600 3.645 3.628 3.663 0.063 1 0 "[ ]" 1
541 1 41 LEU HA 1 42 VAL N 1.265 . 6.000 2.481 2.472 2.489 . 0 0 "[ ]" 1
542 1 41 LEU HB2 1 41 LEU MD1 2.252 . 2.886 2.680 2.184 3.176 0.290 2 0 "[ ]" 1
543 1 41 LEU HB2 1 41 LEU MD2 2.706 . 3.621 2.732 2.313 3.152 . 0 0 "[ ]" 1
544 1 41 LEU HB3 1 41 LEU MD1 2.314 . 2.983 2.547 2.489 2.605 . 0 0 "[ ]" 1
545 1 41 LEU HB3 1 78 ARG HB3 2.357 . 6.000 5.627 5.206 6.048 0.048 2 0 "[ ]" 1
546 1 41 LEU MD1 1 41 LEU N 1.544 . 6.000 3.296 2.277 4.315 . 0 0 "[ ]" 1
547 1 41 LEU MD1 1 42 VAL HA 2.915 . 6.000 5.021 4.413 5.628 . 0 0 "[ ]" 1
548 1 41 LEU MD2 1 42 VAL H 3.414 . 4.871 3.110 2.877 3.344 . 0 0 "[ ]" 1
549 1 41 LEU MD2 1 42 VAL N 1.348 . 6.000 2.655 2.514 2.796 . 0 0 "[ ]" 1
550 1 41 LEU MD2 1 43 HIS HA 3.671 . 5.355 2.813 2.812 2.814 . 0 0 "[ ]" 1
551 1 41 LEU MD2 1 43 HIS QB 2.915 . 3.965 3.664 3.400 3.929 . 0 0 "[ ]" 1
552 1 41 LEU MD2 1 78 ARG HH21 2.679 . 3.576 3.580 3.563 3.597 0.021 2 0 "[ ]" 1
553 1 41 LEU HG 1 42 VAL N 1.873 . 6.000 4.035 3.136 4.934 . 0 0 "[ ]" 1
554 1 41 LEU N 1 80 SER HG 1.837 . 6.000 5.942 5.870 6.015 0.015 1 0 "[ ]" 1
555 1 42 VAL H 1 42 VAL HB 2.894 . 3.941 3.755 3.720 3.790 . 0 0 "[ ]" 1
556 1 42 VAL H 1 42 VAL MG2 3.847 . 5.697 2.070 2.030 2.109 . 0 0 "[ ]" 1
557 1 42 VAL HA 1 42 VAL MG2 2.828 . 3.828 3.219 3.218 3.221 . 0 0 "[ ]" 1
558 1 42 VAL HA 1 43 HIS H 2.707 . 3.623 2.178 2.133 2.223 . 0 0 "[ ]" 1
559 1 42 VAL HA 1 43 HIS HA 2.312 . 6.000 4.294 4.248 4.341 . 0 0 "[ ]" 1
560 1 42 VAL MG1 1 81 LEU HA 2.659 . 6.000 4.230 4.145 4.315 . 0 0 "[ ]" 1
561 1 42 VAL MG1 1 81 LEU HB2 2.237 . 2.863 2.265 2.204 2.326 . 0 0 "[ ]" 1
562 1 42 VAL MG1 1 82 SER HB3 2.685 . 6.000 5.441 5.232 5.649 . 0 0 "[ ]" 1
563 1 42 VAL MG1 1 83 LEU H 3.128 . 4.351 3.997 3.976 4.018 . 0 0 "[ ]" 1
564 1 43 HIS H 1 43 HIS QB 2.920 . 3.835 2.142 2.087 2.197 . 0 0 "[ ]" 1
565 1 43 HIS HA 1 44 ILE H 3.032 . 4.181 2.242 2.235 2.248 . 0 0 "[ ]" 1
566 1 43 HIS HA 1 44 ILE N 1.361 . 6.000 2.520 2.519 2.520 . 0 0 "[ ]" 1
567 1 43 HIS QB 1 43 HIS ND1 2.450 . 3.201 2.494 2.486 2.502 . 0 0 "[ ]" 1
568 1 43 HIS QB 1 44 ILE N 1.669 . 6.000 3.174 3.171 3.177 . 0 0 "[ ]" 1
569 1 43 HIS QB 1 45 SER QB 2.474 . 3.082 2.911 2.756 3.067 . 0 0 "[ ]" 1
570 1 43 HIS QB 1 46 GLU HG2 2.399 . 2.917 2.215 1.970 2.459 . 0 0 "[ ]" 1
571 1 43 HIS HD1 1 44 ILE N 2.823 . 3.819 3.879 3.848 3.909 0.090 1 0 "[ ]" 1
572 1 43 HIS HD1 1 45 SER HA 2.368 . 6.000 4.420 4.075 4.766 . 0 0 "[ ]" 1
573 1 43 HIS HD2 1 45 SER N 1.689 . 6.000 6.076 6.067 6.084 0.084 1 0 "[ ]" 1
574 1 43 HIS HE1 1 44 ILE N 2.157 . 6.000 5.245 5.173 5.316 . 0 0 "[ ]" 1
575 1 43 HIS HE1 1 45 SER N 1.275 . 6.000 5.103 4.980 5.227 . 0 0 "[ ]" 1
576 1 43 HIS HE2 1 44 ILE MG 3.471 . 4.977 4.106 3.766 4.447 . 0 0 "[ ]" 1
577 1 44 ILE H 1 44 ILE HA 2.935 . 4.012 2.768 2.741 2.795 . 0 0 "[ ]" 1
578 1 44 ILE H 1 44 ILE HB 2.751 . 3.697 2.381 2.378 2.384 . 0 0 "[ ]" 1
579 1 44 ILE H 1 44 ILE MG 2.679 . 3.576 2.182 2.179 2.185 . 0 0 "[ ]" 1
580 1 44 ILE HA 1 44 ILE HB 2.736 . 3.672 2.489 2.471 2.508 . 0 0 "[ ]" 1
581 1 44 ILE HA 1 44 ILE HG12 2.859 . 3.881 3.038 2.340 3.735 . 0 0 "[ ]" 1
582 1 44 ILE HA 1 44 ILE MG 2.758 . 3.709 3.215 3.211 3.219 . 0 0 "[ ]" 1
583 1 44 ILE HA 1 47 LEU MD1 2.628 . 3.492 2.379 2.250 2.507 . 0 0 "[ ]" 1
584 1 44 ILE HA 1 47 LEU N 2.222 . 6.000 4.527 4.428 4.627 . 0 0 "[ ]" 1
585 1 44 ILE HB 1 44 ILE MD 2.455 . 3.209 2.771 2.320 3.222 0.013 2 0 "[ ]" 1
586 1 44 ILE HB 1 44 ILE HG12 2.128 . 2.694 2.564 2.541 2.586 . 0 0 "[ ]" 1
587 1 44 ILE MD 1 51 HIS HA 3.866 . 5.734 5.082 4.409 5.754 0.020 1 0 "[ ]" 1
588 1 44 ILE HG12 1 44 ILE MG 2.497 . 3.276 2.715 2.245 3.186 . 0 0 "[ ]" 1
589 1 44 ILE HG12 1 54 VAL HA 4.709 . 7.481 4.735 4.423 5.046 . 0 0 "[ ]" 1
590 1 44 ILE HG13 1 44 ILE MG 4.215 . 6.436 2.536 2.526 2.547 . 0 0 "[ ]" 1
591 1 44 ILE MG 1 45 SER H 2.948 . 4.034 2.454 2.399 2.510 . 0 0 "[ ]" 1
592 1 44 ILE MG 1 45 SER HA 2.336 . 6.000 3.333 3.309 3.356 . 0 0 "[ ]" 1
593 1 44 ILE MG 1 45 SER QB 3.578 . 5.179 3.484 2.941 4.027 . 0 0 "[ ]" 1
594 1 44 ILE MG 1 45 SER N 1.484 . 6.000 2.570 2.499 2.641 . 0 0 "[ ]" 1
595 1 45 SER HA 1 47 LEU H 3.007 . 4.137 3.582 3.494 3.671 . 0 0 "[ ]" 1
596 1 45 SER N 1 47 LEU HA 1.668 . 6.000 6.115 6.096 6.135 0.135 2 0 "[ ]" 1
597 1 46 GLU H 1 47 LEU HA 2.252 . 6.000 4.999 4.928 5.069 . 0 0 "[ ]" 1
598 1 46 GLU H 1 47 LEU N 1.703 . 6.000 3.072 3.019 3.126 . 0 0 "[ ]" 1
599 1 46 GLU N 1 47 LEU H 1.579 . 6.000 2.153 2.140 2.166 . 0 0 "[ ]" 1
600 1 47 LEU H 1 47 LEU HA 2.577 . 3.407 2.876 2.865 2.887 . 0 0 "[ ]" 1
601 1 47 LEU H 1 47 LEU HB2 2.589 . 3.427 2.469 2.427 2.510 . 0 0 "[ ]" 1
602 1 47 LEU H 1 47 LEU HB3 2.814 . 3.804 3.600 3.591 3.608 . 0 0 "[ ]" 1
603 1 47 LEU H 1 47 LEU MD1 3.195 . 4.471 3.607 3.574 3.639 . 0 0 "[ ]" 1
604 1 47 LEU HA 1 47 LEU HB2 2.918 . 3.982 3.013 3.013 3.014 . 0 0 "[ ]" 1
605 1 47 LEU HA 1 47 LEU HB3 2.555 . 3.371 2.454 2.425 2.482 . 0 0 "[ ]" 1
606 1 47 LEU HA 1 47 LEU MD1 2.305 . 6.000 3.873 3.855 3.891 . 0 0 "[ ]" 1
607 1 47 LEU HB2 1 47 LEU MD1 2.354 . 3.047 2.264 2.243 2.285 . 0 0 "[ ]" 1
608 1 47 LEU HB2 1 48 ALA MB 2.303 . 6.000 4.024 3.490 4.559 . 0 0 "[ ]" 1
609 1 47 LEU HB2 1 48 ALA N 1.904 . 6.000 3.285 2.796 3.775 . 0 0 "[ ]" 1
610 1 47 LEU HB3 1 47 LEU MD1 2.415 . 3.144 2.414 2.393 2.434 . 0 0 "[ ]" 1
611 1 47 LEU HB3 1 48 ALA MB 2.091 . 6.000 3.915 3.488 4.342 . 0 0 "[ ]" 1
612 1 47 LEU MD1 1 53 GLU N 1.439 . 6.000 5.429 4.839 6.020 0.020 1 0 "[ ]" 1
613 1 47 LEU N 1 48 ALA H 1.158 . 6.000 2.438 2.335 2.542 . 0 0 "[ ]" 1
614 1 47 LEU N 1 48 ALA HA 1.778 . 6.000 4.541 4.532 4.549 . 0 0 "[ ]" 1
615 1 48 ALA H 1 48 ALA HA 2.776 . 3.740 2.574 2.263 2.885 . 0 0 "[ ]" 1
616 1 48 ALA H 1 48 ALA MB 2.716 . 3.638 2.856 2.732 2.980 . 0 0 "[ ]" 1
617 1 48 ALA H 1 49 GLU HA 2.373 . 6.000 5.037 4.771 5.303 . 0 0 "[ ]" 1
618 1 48 ALA HA 1 48 ALA MB 2.418 . 3.149 2.128 2.127 2.128 . 0 0 "[ ]" 1
619 1 48 ALA HA 1 49 GLU H 2.698 . 3.608 2.536 2.370 2.702 . 0 0 "[ ]" 1
620 1 48 ALA HA 1 49 GLU N 1.821 . 6.000 2.660 2.577 2.743 . 0 0 "[ ]" 1
621 1 48 ALA HA 1 84 LYS HD2 3.255 . 4.579 3.737 3.668 3.807 . 0 0 "[ ]" 1
622 1 48 ALA HA 1 84 LYS HG3 2.202 . 6.000 6.016 6.015 6.017 0.017 2 0 "[ ]" 1
623 1 48 ALA MB 1 49 GLU H 3.096 . 4.294 2.140 1.940 2.340 . 0 0 "[ ]" 1
624 1 48 ALA MB 1 49 GLU N 1.576 . 6.000 2.564 2.475 2.652 . 0 0 "[ ]" 1
625 1 48 ALA MB 1 50 ARG HD3 3.467 . 6.000 3.273 2.357 4.189 . 0 0 "[ ]" 1
626 1 48 ALA MB 1 50 ARG HG2 3.817 . 5.639 3.441 2.447 4.434 . 0 0 "[ ]" 1
627 1 48 ALA N 1 49 GLU HA 2.040 . 6.000 4.862 4.857 4.867 . 0 0 "[ ]" 1
628 1 49 GLU H 1 50 ARG N 1.913 . 6.000 2.964 2.943 2.985 . 0 0 "[ ]" 1
629 1 49 GLU HA 1 49 GLU QB 2.095 . 2.644 2.375 2.343 2.407 . 0 0 "[ ]" 1
630 1 49 GLU QB 1 50 ARG HA 3.404 . 4.852 4.134 4.070 4.197 . 0 0 "[ ]" 1
631 1 49 GLU QB 1 50 ARG N 1.395 . 6.000 3.159 3.055 3.262 . 0 0 "[ ]" 1
632 1 49 GLU N 1 50 ARG H 1.727 . 2.100 2.175 2.168 2.181 0.081 1 0 "[ ]" 1
633 1 50 ARG H 1 50 ARG HB2 2.961 . 4.057 3.670 3.659 3.681 . 0 0 "[ ]" 1
634 1 50 ARG H 1 50 ARG HB3 2.569 . 3.394 2.546 2.478 2.613 . 0 0 "[ ]" 1
635 1 50 ARG HA 1 50 ARG HB2 2.633 . 3.500 2.318 2.253 2.384 . 0 0 "[ ]" 1
636 1 50 ARG HA 1 50 ARG HB3 2.412 . 3.139 2.624 2.515 2.734 . 0 0 "[ ]" 1
637 1 50 ARG HA 1 50 ARG HD3 3.232 . 4.538 4.405 3.911 4.899 0.361 2 0 "[ ]" 1
638 1 50 ARG HA 1 51 HIS N 1.739 . 6.000 2.693 2.684 2.702 . 0 0 "[ ]" 1
639 1 50 ARG HB2 1 50 ARG HG3 2.388 . 3.101 2.478 2.350 2.606 . 0 0 "[ ]" 1
640 1 50 ARG HB3 1 50 ARG HD2 2.399 . 3.119 2.872 2.522 3.223 0.104 2 0 "[ ]" 1
641 1 50 ARG HB3 1 50 ARG HD3 2.452 . 3.203 2.832 2.783 2.881 . 0 0 "[ ]" 1
642 1 50 ARG HB3 1 50 ARG HG3 2.393 . 3.109 2.745 2.507 2.983 . 0 0 "[ ]" 1
643 1 50 ARG HD2 1 51 HIS HB3 2.948 . 6.000 5.258 4.396 6.120 0.120 1 0 "[ ]" 1
644 1 50 ARG HD3 1 50 ARG HG3 2.640 . 3.511 3.012 3.010 3.013 . 0 0 "[ ]" 1
645 1 50 ARG HD3 1 51 HIS HB3 2.354 . 6.000 5.700 5.321 6.078 0.078 2 0 "[ ]" 1
646 1 50 ARG HE 1 50 ARG N 2.973 . 6.000 5.507 5.353 5.660 . 0 0 "[ ]" 1
647 1 50 ARG HH11 1 52 VAL MG2 2.455 . 3.209 3.188 3.080 3.296 0.087 2 0 "[ ]" 1
648 1 50 ARG HH12 1 52 VAL MG1 3.053 . 4.218 4.281 4.257 4.305 0.087 1 0 "[ ]" 1
649 1 50 ARG QH2 1 57 GLN NE2 . . 2.163 2.282 2.233 2.331 0.168 2 0 "[ ]" 1
650 1 50 ARG QH2 1 58 VAL MG2 2.873 . 3.905 2.716 2.664 2.768 . 0 0 "[ ]" 1
651 1 51 HIS H 1 51 HIS HA 2.470 . 3.232 2.840 2.796 2.884 . 0 0 "[ ]" 1
652 1 51 HIS HA 1 51 HIS HB2 2.663 . 3.550 2.468 2.449 2.487 . 0 0 "[ ]" 1
653 1 51 HIS HA 1 52 VAL H 2.505 . 3.289 2.191 2.173 2.209 . 0 0 "[ ]" 1
654 1 51 HIS HA 1 52 VAL N 1.360 . 6.000 2.489 2.488 2.490 . 0 0 "[ ]" 1
655 1 51 HIS HB2 1 52 VAL N 1.687 . 6.000 4.403 4.402 4.404 . 0 0 "[ ]" 1
656 1 51 HIS HB3 1 52 VAL HA 3.078 . 6.000 4.758 4.717 4.800 . 0 0 "[ ]" 1
657 1 51 HIS HB3 1 57 GLN NE2 2.556 . 6.000 6.027 6.026 6.029 0.029 1 0 "[ ]" 1
658 1 51 HIS HD2 1 53 GLU QG 2.898 . 3.948 2.752 2.563 2.941 . 0 0 "[ ]" 1
659 1 51 HIS N 1 52 VAL H 2.573 . 3.400 3.440 3.384 3.496 0.096 2 0 "[ ]" 1
660 1 52 VAL H 1 52 VAL HB 3.031 . 4.179 2.700 2.630 2.770 . 0 0 "[ ]" 1
661 1 52 VAL HA 1 52 VAL HB 2.539 . 3.345 3.030 3.028 3.033 . 0 0 "[ ]" 1
662 1 52 VAL HA 1 52 VAL MG1 2.805 . 3.789 2.374 2.366 2.382 . 0 0 "[ ]" 1
663 1 52 VAL HA 1 52 VAL MG2 2.721 . 3.646 2.423 2.388 2.458 . 0 0 "[ ]" 1
664 1 52 VAL HA 1 54 VAL N 1.678 . 6.000 4.665 4.568 4.762 . 0 0 "[ ]" 1
665 1 52 VAL HA 1 57 GLN NE2 1.874 . 2.313 2.354 2.326 2.382 0.069 2 0 "[ ]" 1
666 1 52 VAL HB 1 52 VAL MG2 2.109 . 2.665 2.127 2.127 2.127 . 0 0 "[ ]" 1
667 1 52 VAL HB 1 53 GLU H 3.164 . 4.416 4.206 4.202 4.209 . 0 0 "[ ]" 1
668 1 52 VAL MG1 1 53 GLU HA 3.077 . 4.260 4.202 4.178 4.227 . 0 0 "[ ]" 1
669 1 52 VAL MG1 1 53 GLU HB3 2.167 . 6.000 5.139 5.063 5.215 . 0 0 "[ ]" 1
670 1 52 VAL MG1 1 54 VAL HA 3.284 . 4.632 3.562 3.515 3.610 . 0 0 "[ ]" 1
671 1 52 VAL MG1 1 54 VAL MG1 2.243 . 6.000 3.787 3.650 3.924 . 0 0 "[ ]" 1
672 1 52 VAL MG1 1 55 PRO HA 2.635 . 3.503 2.906 2.676 3.135 . 0 0 "[ ]" 1
673 1 52 VAL MG1 1 57 GLN H 2.920 . 3.986 3.379 3.341 3.416 . 0 0 "[ ]" 1
674 1 52 VAL MG1 1 57 GLN HB2 2.523 . 3.319 2.121 2.062 2.180 . 0 0 "[ ]" 1
675 1 52 VAL MG1 1 57 GLN HG2 2.687 . 3.589 3.816 3.637 3.995 0.406 1 0 "[ ]" 1
676 1 52 VAL MG2 1 57 GLN HB2 2.606 . 3.455 3.558 3.524 3.591 0.136 1 0 "[ ]" 1
677 1 52 VAL MG2 1 57 GLN HE21 2.609 . 3.460 2.932 2.751 3.114 . 0 0 "[ ]" 1
678 1 52 VAL N 1 53 GLU H 1.745 . 6.000 3.595 3.576 3.615 . 0 0 "[ ]" 1
679 1 53 GLU H 1 53 GLU HB3 3.080 . 4.266 3.572 3.570 3.573 . 0 0 "[ ]" 1
680 1 53 GLU H 1 53 GLU QG 2.917 . 3.981 2.007 1.841 2.173 0.012 1 0 "[ ]" 1
681 1 53 GLU H 1 54 VAL N 1.725 . 6.000 3.189 3.166 3.212 . 0 0 "[ ]" 1
682 1 53 GLU HA 1 53 GLU HB2 2.699 . 3.610 3.018 3.014 3.022 . 0 0 "[ ]" 1
683 1 53 GLU HA 1 53 GLU QG 2.431 . 6.000 2.766 2.635 2.897 . 0 0 "[ ]" 1
684 1 53 GLU HA 1 54 VAL H 2.365 . 6.000 3.512 3.492 3.533 . 0 0 "[ ]" 1
685 1 53 GLU HA 1 54 VAL MG1 3.891 . 5.783 4.731 4.576 4.885 . 0 0 "[ ]" 1
686 1 53 GLU HB2 1 53 GLU QG 3.113 . 4.324 2.255 2.158 2.352 . 0 0 "[ ]" 1
687 1 53 GLU HB3 1 53 GLU QG 2.646 . 3.521 2.347 2.331 2.362 . 0 0 "[ ]" 1
688 1 53 GLU HB3 1 54 VAL N 1.376 . 6.000 3.476 3.449 3.502 . 0 0 "[ ]" 1
689 1 53 GLU QG 1 57 GLN HE21 2.679 . 3.576 3.543 3.158 3.928 0.352 2 0 "[ ]" 1
690 1 53 GLU QG 1 57 GLN HE22 5.107 . 8.367 3.055 2.606 3.504 . 0 0 "[ ]" 1
691 1 53 GLU QG 1 57 GLN HG3 3.341 . 4.737 4.296 4.068 4.523 . 0 0 "[ ]" 1
692 1 53 GLU QG 1 57 GLN NE2 1.610 . 6.000 3.277 2.836 3.717 . 0 0 "[ ]" 1
693 1 53 GLU N 1 57 GLN HE21 1.484 . 6.000 2.858 2.718 2.998 . 0 0 "[ ]" 1
694 1 54 VAL H 1 54 VAL HB 3.614 . 5.247 3.317 3.189 3.445 . 0 0 "[ ]" 1
695 1 54 VAL H 1 54 VAL MG1 2.489 . 3.263 2.364 2.206 2.521 . 0 0 "[ ]" 1
696 1 54 VAL H 1 55 PRO HD3 3.275 . 4.616 4.509 4.401 4.617 0.001 1 0 "[ ]" 1
697 1 54 VAL HA 1 54 VAL HB 2.670 . 3.561 2.461 2.453 2.469 . 0 0 "[ ]" 1
698 1 54 VAL HA 1 54 VAL MG1 3.128 . 4.351 3.219 3.217 3.220 . 0 0 "[ ]" 1
699 1 54 VAL HA 1 55 PRO HD2 2.477 . 3.244 2.359 2.316 2.403 . 0 0 "[ ]" 1
700 1 54 VAL HA 1 55 PRO HD3 2.246 . 2.877 2.136 2.117 2.155 . 0 0 "[ ]" 1
701 1 54 VAL HB 1 54 VAL MG1 2.441 . 3.186 2.119 2.117 2.121 . 0 0 "[ ]" 1
702 1 54 VAL HB 1 54 VAL MG2 2.349 . 3.039 2.123 2.121 2.124 . 0 0 "[ ]" 1
703 1 54 VAL HB 1 55 PRO HD2 2.800 . 3.780 3.805 3.789 3.821 0.041 1 0 "[ ]" 1
704 1 54 VAL HB 1 56 ASP H 3.091 . 4.285 4.333 4.309 4.357 0.072 1 0 "[ ]" 1
705 1 54 VAL HB 1 56 ASP HB3 2.799 . 6.000 4.676 4.567 4.785 . 0 0 "[ ]" 1
706 1 54 VAL MG1 1 55 PRO HB3 2.651 . 6.000 5.874 5.829 5.919 . 0 0 "[ ]" 1
707 1 54 VAL MG1 1 56 ASP HB3 2.435 . 3.176 1.978 1.961 1.995 . 0 0 "[ ]" 1
708 1 54 VAL MG1 1 57 GLN N 1.476 . 6.000 3.293 3.195 3.390 . 0 0 "[ ]" 1
709 1 54 VAL MG2 1 55 PRO HD2 2.509 . 3.296 1.892 1.865 1.918 . 0 0 "[ ]" 1
710 1 54 VAL MG2 1 55 PRO HD3 2.513 . 3.302 3.129 3.076 3.182 . 0 0 "[ ]" 1
711 1 55 PRO HA 1 55 PRO HB3 2.421 . 3.154 2.313 2.306 2.321 . 0 0 "[ ]" 1
712 1 55 PRO HA 1 55 PRO HD3 3.242 . 4.556 3.433 3.427 3.439 . 0 0 "[ ]" 1
713 1 55 PRO HD2 1 56 ASP H 3.247 . 4.565 3.251 3.240 3.262 . 0 0 "[ ]" 1
714 1 55 PRO HD2 1 56 ASP N 1.826 . 6.000 4.013 4.007 4.020 . 0 0 "[ ]" 1
715 1 55 PRO HD3 1 55 PRO HG2 2.186 . 2.783 2.754 2.743 2.765 . 0 0 "[ ]" 1
716 1 55 PRO HD3 1 55 PRO HG3 2.696 . 3.605 2.280 2.275 2.284 . 0 0 "[ ]" 1
717 1 55 PRO HG2 1 56 ASP HB3 4.580 . 7.202 6.803 6.652 6.954 . 0 0 "[ ]" 1
718 1 55 PRO HG2 1 56 ASP N 1.928 . 6.000 4.754 4.715 4.793 . 0 0 "[ ]" 1
719 1 56 ASP H 1 56 ASP HB3 2.587 . 3.423 2.557 2.492 2.622 . 0 0 "[ ]" 1
720 1 56 ASP H 1 57 GLN N 1.789 . 6.000 3.336 3.294 3.377 . 0 0 "[ ]" 1
721 1 56 ASP H 1 58 VAL N 2.237 . 6.000 5.202 5.130 5.274 . 0 0 "[ ]" 1
722 1 56 ASP HA 1 56 ASP HB3 2.319 . 2.991 3.023 3.022 3.023 0.032 2 0 "[ ]" 1
723 1 56 ASP HA 1 57 GLN N 1.813 . 6.000 3.253 3.238 3.269 . 0 0 "[ ]" 1
724 1 56 ASP HA 1 58 VAL N 1.751 . 6.000 4.503 4.429 4.576 . 0 0 "[ ]" 1
725 1 56 ASP N 1 57 GLN H 2.199 . 2.804 2.356 2.326 2.385 . 0 0 "[ ]" 1
726 1 57 GLN HB3 1 58 VAL N 1.441 . 6.000 3.534 3.510 3.558 . 0 0 "[ ]" 1
727 1 57 GLN N 1 58 VAL H 1.761 . 6.000 2.359 2.313 2.406 . 0 0 "[ ]" 1
728 1 57 GLN NE2 1 58 VAL MG2 1.892 . 6.000 4.815 4.686 4.944 . 0 0 "[ ]" 1
729 1 58 VAL H 1 58 VAL HA 2.774 . 3.736 2.937 2.934 2.939 . 0 0 "[ ]" 1
730 1 58 VAL H 1 58 VAL HB 3.010 . 4.142 2.586 2.572 2.601 . 0 0 "[ ]" 1
731 1 58 VAL H 1 59 VAL MG1 3.152 . 4.394 4.446 4.417 4.476 0.082 1 0 "[ ]" 1
732 1 58 VAL H 1 59 VAL MG2 2.812 . 3.800 3.793 3.770 3.816 0.016 2 0 "[ ]" 1
733 1 58 VAL H 1 59 VAL N 1.539 . 6.000 2.805 2.769 2.840 . 0 0 "[ ]" 1
734 1 58 VAL HA 1 58 VAL HB 2.738 . 3.675 3.025 3.024 3.025 . 0 0 "[ ]" 1
735 1 58 VAL HA 1 58 VAL MG1 2.321 . 2.995 2.374 2.362 2.386 . 0 0 "[ ]" 1
736 1 58 VAL HA 1 59 VAL H 2.817 . 3.809 3.547 3.538 3.556 . 0 0 "[ ]" 1
737 1 58 VAL HA 1 59 VAL HA 3.642 . 5.300 4.552 4.546 4.558 . 0 0 "[ ]" 1
738 1 58 VAL MG2 1 59 VAL H 3.289 . 4.641 3.659 3.649 3.668 . 0 0 "[ ]" 1
739 1 58 VAL N 1 59 VAL H 1.428 . 6.000 2.537 2.472 2.602 . 0 0 "[ ]" 1
740 1 59 VAL H 1 59 VAL MG1 3.197 . 4.475 2.887 2.744 3.031 . 0 0 "[ ]" 1
741 1 59 VAL HA 1 59 VAL MG1 2.547 . 3.358 2.351 2.323 2.379 . 0 0 "[ ]" 1
742 1 59 VAL MG2 1 63 ASP HB3 3.614 . 5.247 4.199 4.057 4.341 . 0 0 "[ ]" 1
743 1 60 ALA HA 1 60 ALA MB 2.041 . 2.562 2.125 2.124 2.126 . 0 0 "[ ]" 1
744 1 60 ALA HA 1 61 VAL H 2.462 . 3.220 2.410 2.382 2.438 . 0 0 "[ ]" 1
745 1 60 ALA HA 1 61 VAL MG2 3.068 . 6.000 5.530 5.502 5.557 . 0 0 "[ ]" 1
746 1 60 ALA HA 1 61 VAL N 1.317 . 6.000 2.610 2.598 2.622 . 0 0 "[ ]" 1
747 1 60 ALA MB 1 61 VAL H 2.425 . 3.160 2.212 2.180 2.244 . 0 0 "[ ]" 1
748 1 60 ALA MB 1 61 VAL HA 3.620 . 5.258 4.249 4.231 4.267 . 0 0 "[ ]" 1
749 1 60 ALA MB 1 61 VAL HB 2.935 . 4.012 4.221 4.215 4.227 0.215 2 0 "[ ]" 1
750 1 60 ALA MB 1 61 VAL N 1.564 . 6.000 2.526 2.520 2.531 . 0 0 "[ ]" 1
751 1 61 VAL H 1 61 VAL HB 2.509 . 3.296 2.390 2.361 2.418 . 0 0 "[ ]" 1
752 1 61 VAL HA 1 61 VAL HB 2.272 . 2.917 2.475 2.454 2.497 . 0 0 "[ ]" 1
753 1 61 VAL HA 1 62 GLY H 2.298 . 2.958 2.179 2.162 2.196 . 0 0 "[ ]" 1
754 1 61 VAL HA 1 62 GLY HA2 2.899 . 6.000 4.427 4.402 4.453 . 0 0 "[ ]" 1
755 1 61 VAL HA 1 62 GLY HA3 3.788 . 5.581 4.416 4.408 4.424 . 0 0 "[ ]" 1
756 1 61 VAL HA 1 62 GLY N 1.338 . 6.000 2.495 2.487 2.503 . 0 0 "[ ]" 1
757 1 61 VAL HA 1 63 ASP H 3.186 . 4.455 3.414 3.331 3.498 . 0 0 "[ ]" 1
758 1 61 VAL HB 1 61 VAL MG2 2.192 . 2.793 2.130 2.128 2.132 . 0 0 "[ ]" 1
759 1 61 VAL HB 1 62 GLY N 2.005 . 6.000 4.308 4.289 4.326 . 0 0 "[ ]" 1
760 1 61 VAL MG2 1 62 GLY HA3 3.050 . 4.213 3.645 3.544 3.746 . 0 0 "[ ]" 1
761 1 61 VAL MG2 1 62 GLY N 1.328 . 6.000 2.741 2.693 2.789 . 0 0 "[ ]" 1
762 1 61 VAL N 1 62 GLY H 3.165 . 4.417 3.672 3.621 3.723 . 0 0 "[ ]" 1
763 1 62 GLY H 1 62 GLY HA3 2.593 . 3.433 2.940 2.939 2.941 . 0 0 "[ ]" 1
764 1 62 GLY H 1 63 ASP N 1.560 . 6.000 2.957 2.944 2.970 . 0 0 "[ ]" 1
765 1 62 GLY HA3 1 63 ASP H 3.306 . 4.672 3.267 3.264 3.269 . 0 0 "[ ]" 1
766 1 62 GLY HA3 1 63 ASP HA 2.101 . 6.000 4.448 4.442 4.454 . 0 0 "[ ]" 1
767 1 62 GLY N 1 63 ASP H 1.599 . 6.000 2.236 2.235 2.238 . 0 0 "[ ]" 1
768 1 63 ASP H 1 63 ASP HA 2.722 . 3.648 2.836 2.829 2.843 . 0 0 "[ ]" 1
769 1 63 ASP H 1 63 ASP HB2 2.532 . 3.333 2.405 2.387 2.422 . 0 0 "[ ]" 1
770 1 63 ASP H 1 63 ASP HB3 2.637 . 3.506 2.720 2.709 2.731 . 0 0 "[ ]" 1
771 1 63 ASP HA 1 63 ASP HB2 2.518 . 3.310 2.560 2.548 2.571 . 0 0 "[ ]" 1
772 1 63 ASP HA 1 63 ASP HB3 2.326 . 3.002 3.010 3.006 3.014 0.012 1 0 "[ ]" 1
773 1 63 ASP HA 1 64 ASP H 2.600 . 3.445 2.138 2.124 2.152 . 0 0 "[ ]" 1
774 1 63 ASP HA 1 64 ASP HB2 3.504 . 5.039 4.474 4.359 4.590 . 0 0 "[ ]" 1
775 1 63 ASP HA 1 64 ASP N 1.160 . 6.000 2.466 2.463 2.469 . 0 0 "[ ]" 1
776 1 63 ASP HB3 1 64 ASP H 2.927 . 3.998 4.033 4.001 4.065 0.067 2 0 "[ ]" 1
777 1 63 ASP HB3 1 64 ASP HA 2.739 . 6.000 4.661 4.652 4.671 . 0 0 "[ ]" 1
778 1 64 ASP H 1 64 ASP HB2 2.612 . 3.465 2.863 2.764 2.962 . 0 0 "[ ]" 1
779 1 64 ASP H 1 64 ASP HB3 2.753 . 3.700 2.614 2.550 2.677 . 0 0 "[ ]" 1
780 1 64 ASP HA 1 64 ASP HB2 2.747 . 3.690 2.512 2.470 2.554 . 0 0 "[ ]" 1
781 1 64 ASP HA 1 64 ASP HB3 2.674 . 3.568 3.029 3.023 3.036 . 0 0 "[ ]" 1
782 1 64 ASP HA 1 65 ALA H 2.291 . 2.947 2.189 2.185 2.192 . 0 0 "[ ]" 1
783 1 64 ASP HA 1 65 ALA MB 3.323 . 4.704 4.029 4.018 4.040 . 0 0 "[ ]" 1
784 1 64 ASP HB2 1 65 ALA N 1.347 . 6.000 4.431 4.397 4.465 . 0 0 "[ ]" 1
785 1 65 ALA H 1 65 ALA MB 2.913 . 3.974 2.607 2.548 2.667 . 0 0 "[ ]" 1
786 1 65 ALA HA 1 65 ALA MB 2.399 . 3.119 2.128 2.126 2.131 . 0 0 "[ ]" 1
787 1 65 ALA HA 1 66 MET H 2.967 . 4.068 2.236 2.190 2.282 . 0 0 "[ ]" 1
788 1 65 ALA HA 1 66 MET N 1.193 . 6.000 2.520 2.495 2.545 . 0 0 "[ ]" 1
789 1 65 ALA HA 1 67 VAL MG2 3.028 . 6.000 4.597 4.555 4.640 . 0 0 "[ ]" 1
790 1 65 ALA MB 1 66 MET H 2.980 . 4.090 2.784 2.672 2.897 . 0 0 "[ ]" 1
791 1 66 MET H 1 66 MET ME 3.306 . 4.672 3.820 3.037 4.603 . 0 0 "[ ]" 1
792 1 66 MET H 1 66 MET HG2 2.998 . 4.121 2.359 2.055 2.662 . 0 0 "[ ]" 1
793 1 66 MET H 1 66 MET HG3 3.192 . 4.466 3.528 3.451 3.604 . 0 0 "[ ]" 1
794 1 66 MET H 1 67 VAL MG2 2.868 . 6.000 4.116 4.107 4.125 . 0 0 "[ ]" 1
795 1 66 MET HA 1 66 MET QB 3.691 . 5.394 2.172 2.170 2.175 . 0 0 "[ ]" 1
796 1 66 MET HA 1 66 MET HG2 2.531 . 6.000 3.708 3.693 3.724 . 0 0 "[ ]" 1
797 1 66 MET HA 1 66 MET HG3 3.377 . 4.802 4.049 3.842 4.256 . 0 0 "[ ]" 1
798 1 66 MET HA 1 67 VAL H 2.778 . 3.743 2.096 2.083 2.108 . 0 0 "[ ]" 1
799 1 66 MET QB 1 66 MET ME 2.602 . 3.448 2.025 1.971 2.079 . 0 0 "[ ]" 1
800 1 66 MET QB 1 66 MET HG2 2.615 . 3.470 2.411 2.405 2.417 . 0 0 "[ ]" 1
801 1 66 MET QB 1 66 MET HG3 2.561 . 3.381 2.209 2.154 2.264 . 0 0 "[ ]" 1
802 1 66 MET QB 1 67 VAL N 1.672 . 6.000 3.209 3.148 3.269 . 0 0 "[ ]" 1
803 1 66 MET QB 1 86 ALA MB 3.387 . 4.821 4.020 3.702 4.337 . 0 0 "[ ]" 1
804 1 66 MET ME 1 66 MET HG2 2.915 . 3.977 3.406 3.399 3.412 . 0 0 "[ ]" 1
805 1 66 MET ME 1 66 MET HG3 2.759 . 3.711 2.517 2.476 2.558 . 0 0 "[ ]" 1
806 1 66 MET ME 1 67 VAL H 3.713 . 5.436 5.257 5.043 5.471 0.035 1 0 "[ ]" 1
807 1 66 MET HG2 1 83 LEU MD2 3.115 . 4.328 4.358 4.337 4.379 0.051 1 0 "[ ]" 1
808 1 66 MET HG3 1 67 VAL N 2.965 . 6.000 4.503 3.941 5.065 . 0 0 "[ ]" 1
809 1 66 MET N 1 83 LEU MD2 1.704 . 6.000 4.156 4.008 4.303 . 0 0 "[ ]" 1
810 1 67 VAL H 1 67 VAL MG1 2.977 . 4.085 3.935 3.931 3.939 . 0 0 "[ ]" 1
811 1 67 VAL HA 1 67 VAL HB 2.984 . 4.097 2.985 2.979 2.992 . 0 0 "[ ]" 1
812 1 67 VAL HA 1 67 VAL MG1 2.604 . 3.452 2.227 2.216 2.238 . 0 0 "[ ]" 1
813 1 67 VAL HA 1 68 LYS H 3.273 . 4.612 2.321 2.317 2.324 . 0 0 "[ ]" 1
814 1 67 VAL HA 1 68 LYS N 1.375 . 6.000 2.567 2.564 2.569 . 0 0 "[ ]" 1
815 1 67 VAL HA 1 86 ALA MB 2.421 . 3.154 2.244 2.176 2.312 . 0 0 "[ ]" 1
816 1 67 VAL HB 1 67 VAL MG1 2.801 . 3.781 2.123 2.122 2.123 . 0 0 "[ ]" 1
817 1 67 VAL HB 1 67 VAL MG2 2.139 . 2.711 2.130 2.130 2.131 . 0 0 "[ ]" 1
818 1 67 VAL HB 1 68 LYS H 2.584 . 3.419 3.454 3.442 3.465 0.046 1 0 "[ ]" 1
819 1 67 VAL HB 1 81 LEU MD2 3.032 . 4.181 2.003 1.929 2.078 . 0 0 "[ ]" 1
820 1 67 VAL HB 1 86 ALA MB 2.867 . 6.000 4.535 4.501 4.569 . 0 0 "[ ]" 1
821 1 67 VAL MG1 1 81 LEU HB3 2.205 . 2.813 1.969 1.964 1.973 . 0 0 "[ ]" 1
822 1 67 VAL MG1 1 81 LEU MD2 2.896 . 3.944 2.913 2.865 2.961 . 0 0 "[ ]" 1
823 1 67 VAL MG1 1 83 LEU MD1 2.861 . 3.884 3.756 3.681 3.831 . 0 0 "[ ]" 1
824 1 68 LYS H 1 68 LYS HB3 3.010 . 4.142 2.262 2.241 2.284 . 0 0 "[ ]" 1
825 1 68 LYS H 1 82 SER N 1.281 . 6.000 3.895 3.754 4.035 . 0 0 "[ ]" 1
826 1 68 LYS H 1 86 ALA MB 2.717 . 3.640 2.127 1.881 2.374 . 0 0 "[ ]" 1
827 1 68 LYS HA 1 68 LYS HB3 2.845 . 3.857 2.983 2.978 2.989 . 0 0 "[ ]" 1
828 1 68 LYS HA 1 68 LYS HE2 2.678 . 6.000 4.896 4.874 4.917 . 0 0 "[ ]" 1
829 1 68 LYS HA 1 68 LYS HG2 3.345 . 4.743 3.569 3.555 3.583 . 0 0 "[ ]" 1
830 1 68 LYS HA 1 69 VAL N 1.361 . 6.000 2.449 2.448 2.449 . 0 0 "[ ]" 1
831 1 68 LYS HA 1 86 ALA HA 3.609 . 5.237 4.592 4.266 4.917 . 0 0 "[ ]" 1
832 1 68 LYS HB2 1 68 LYS HE3 2.147 . 2.723 2.822 2.807 2.836 0.113 1 0 "[ ]" 1
833 1 68 LYS HB2 1 68 LYS HG3 2.807 . 3.792 2.533 2.523 2.542 . 0 0 "[ ]" 1
834 1 68 LYS HB2 1 81 LEU HB3 2.324 . 6.000 6.033 6.025 6.041 0.041 1 0 "[ ]" 1
835 1 68 LYS HB2 1 86 ALA H 2.952 . 4.041 4.066 4.066 4.066 0.025 1 0 "[ ]" 1
836 1 68 LYS HB3 1 68 LYS HD3 2.835 . 3.840 3.407 3.398 3.415 . 0 0 "[ ]" 1
837 1 68 LYS HB3 1 68 LYS HE3 3.677 . 5.367 4.061 4.053 4.068 . 0 0 "[ ]" 1
838 1 68 LYS HB3 1 68 LYS HG3 2.650 . 3.528 3.001 3.000 3.003 . 0 0 "[ ]" 1
839 1 68 LYS HB3 1 70 ILE MG 5.927 . 10.318 3.306 3.207 3.406 . 0 0 "[ ]" 1
840 1 68 LYS HD2 1 86 ALA HA 3.642 . 5.300 3.948 3.495 4.401 . 0 0 "[ ]" 1
841 1 68 LYS HD3 1 68 LYS HE3 2.600 . 3.445 3.004 3.001 3.007 . 0 0 "[ ]" 1
842 1 68 LYS HD3 1 82 SER HB2 2.796 . 6.000 4.975 4.933 5.017 . 0 0 "[ ]" 1
843 1 68 LYS HD3 1 85 GLN HA 2.699 . 6.000 5.049 4.904 5.193 . 0 0 "[ ]" 1
844 1 68 LYS HD3 1 85 GLN HB2 2.943 . 4.025 3.173 3.073 3.272 . 0 0 "[ ]" 1
845 1 68 LYS HD3 1 85 GLN HB3 2.758 . 3.708 2.569 2.374 2.764 . 0 0 "[ ]" 1
846 1 68 LYS HE2 1 68 LYS QZ 2.897 . 3.946 2.098 2.096 2.099 . 0 0 "[ ]" 1
847 1 68 LYS HE2 1 69 VAL N 1.568 . 6.000 5.003 4.961 5.045 . 0 0 "[ ]" 1
848 1 68 LYS HE3 1 68 LYS HG3 2.415 . 6.000 2.437 2.376 2.499 . 0 0 "[ ]" 1
849 1 68 LYS HE3 1 70 ILE MG 3.281 . 4.626 4.506 4.447 4.565 . 0 0 "[ ]" 1
850 1 68 LYS HE3 1 70 ILE N 1.427 . 6.000 6.130 6.114 6.146 0.146 2 0 "[ ]" 1
851 1 68 LYS HE3 1 86 ALA HA 3.636 . 5.289 4.979 4.648 5.309 0.020 2 0 "[ ]" 1
852 1 68 LYS N 1 82 SER H 1.208 . 6.000 3.667 3.595 3.739 . 0 0 "[ ]" 1
853 1 69 VAL H 1 69 VAL MG1 2.872 . 3.903 3.777 3.774 3.779 . 0 0 "[ ]" 1
854 1 69 VAL H 1 69 VAL MG2 2.787 . 3.758 2.167 2.153 2.182 . 0 0 "[ ]" 1
855 1 69 VAL HA 1 69 VAL MG2 2.834 . 3.838 2.381 2.376 2.387 . 0 0 "[ ]" 1
856 1 69 VAL HA 1 70 ILE H 2.576 . 3.405 2.155 2.150 2.160 . 0 0 "[ ]" 1
857 1 69 VAL HA 1 70 ILE MG 2.176 . 6.000 3.826 3.788 3.864 . 0 0 "[ ]" 1
858 1 69 VAL HA 1 81 LEU HA 2.763 . 3.717 2.936 2.886 2.985 . 0 0 "[ ]" 1
859 1 69 VAL HA 1 81 LEU HG 3.459 . 4.955 2.141 2.028 2.255 . 0 0 "[ ]" 1
860 1 69 VAL HB 1 69 VAL MG2 2.477 . 3.244 2.128 2.128 2.128 . 0 0 "[ ]" 1
861 1 69 VAL HB 1 70 ILE N 1.450 . 6.000 3.979 3.966 3.992 . 0 0 "[ ]" 1
862 1 69 VAL MG2 1 70 ILE H 3.492 . 5.016 4.180 4.172 4.188 . 0 0 "[ ]" 1
863 1 69 VAL MG2 1 79 ILE HG13 4.937 . 7.984 3.873 3.680 4.066 . 0 0 "[ ]" 1
864 1 69 VAL MG2 1 81 LEU HG 2.169 . 2.757 2.796 2.795 2.796 0.039 1 0 "[ ]" 1
865 1 70 ILE H 1 70 ILE HB 3.144 . 4.379 3.666 3.664 3.668 . 0 0 "[ ]" 1
866 1 70 ILE H 1 70 ILE MG 3.060 . 4.230 2.509 2.443 2.575 . 0 0 "[ ]" 1
867 1 70 ILE H 1 71 ASP HB2 3.150 . 6.000 4.784 4.772 4.795 . 0 0 "[ ]" 1
868 1 70 ILE HA 1 70 ILE HB 2.766 . 3.723 2.465 2.450 2.480 . 0 0 "[ ]" 1
869 1 70 ILE HA 1 70 ILE MD 2.897 . 6.000 4.180 4.179 4.181 . 0 0 "[ ]" 1
870 1 70 ILE HA 1 70 ILE HG12 2.950 . 4.038 3.647 3.641 3.654 . 0 0 "[ ]" 1
871 1 70 ILE HA 1 70 ILE MG 2.896 . 3.944 2.329 2.300 2.358 . 0 0 "[ ]" 1
872 1 70 ILE HB 1 70 ILE MD 2.409 . 3.134 2.533 2.515 2.551 . 0 0 "[ ]" 1
873 1 70 ILE HB 1 71 ASP H 3.407 . 4.858 4.019 3.971 4.068 . 0 0 "[ ]" 1
874 1 70 ILE HB 1 71 ASP N 1.682 . 6.000 3.689 3.647 3.731 . 0 0 "[ ]" 1
875 1 70 ILE HB 1 80 SER HB2 3.535 . 5.097 4.653 4.621 4.684 . 0 0 "[ ]" 1
876 1 70 ILE HB 1 80 SER HB3 3.363 . 4.777 4.836 4.828 4.845 0.068 1 0 "[ ]" 1
877 1 70 ILE MD 1 70 ILE HG13 3.190 . 4.462 2.116 2.113 2.119 . 0 0 "[ ]" 1
878 1 70 ILE MD 1 71 ASP HB2 3.036 . 4.188 4.009 3.996 4.021 . 0 0 "[ ]" 1
879 1 70 ILE MD 1 80 SER HA 2.955 . 4.047 3.877 3.848 3.905 . 0 0 "[ ]" 1
880 1 70 ILE MD 1 80 SER HB3 2.481 . 3.250 2.120 2.110 2.129 . 0 0 "[ ]" 1
881 1 70 ILE MD 1 81 LEU HA 2.264 . 2.905 3.016 2.996 3.037 0.132 2 0 "[ ]" 1
882 1 70 ILE MD 1 81 LEU N 1.478 . 6.000 3.131 3.088 3.174 . 0 0 "[ ]" 1
883 1 70 ILE MD 1 82 SER HB2 2.716 . 3.638 3.050 3.001 3.098 . 0 0 "[ ]" 1
884 1 70 ILE HG12 1 71 ASP N 1.318 . 6.000 3.169 3.080 3.258 . 0 0 "[ ]" 1
885 1 70 ILE HG13 1 80 SER HB2 2.448 . 6.000 2.350 2.282 2.418 . 0 0 "[ ]" 1
886 1 70 ILE HG13 1 80 SER HB3 3.260 . 4.588 2.557 2.548 2.567 . 0 0 "[ ]" 1
887 1 70 ILE MG 1 80 SER HB2 3.107 . 6.000 4.828 4.802 4.853 . 0 0 "[ ]" 1
888 1 70 ILE MG 1 80 SER HB3 3.665 . 5.344 4.632 4.583 4.681 . 0 0 "[ ]" 1
889 1 70 ILE MG 1 82 SER HB2 4.246 . 6.499 2.771 2.656 2.886 . 0 0 "[ ]" 1
890 1 70 ILE MG 1 82 SER HB3 2.252 . 6.000 4.166 4.053 4.280 . 0 0 "[ ]" 1
891 1 70 ILE MG 1 82 SER N 1.424 . 6.000 3.208 3.158 3.259 . 0 0 "[ ]" 1
892 1 70 ILE N 1 71 ASP H 1.549 . 6.000 2.293 2.278 2.308 . 0 0 "[ ]" 1
893 1 70 ILE N 1 81 LEU HA 1.672 . 6.000 3.295 3.264 3.326 . 0 0 "[ ]" 1
894 1 71 ASP H 1 71 ASP HB2 3.500 . 5.031 3.156 3.123 3.189 . 0 0 "[ ]" 1
895 1 71 ASP H 1 71 ASP HB3 2.952 . 4.041 3.297 3.246 3.347 . 0 0 "[ ]" 1
896 1 71 ASP H 1 80 SER HB2 3.077 . 4.260 2.729 2.674 2.785 . 0 0 "[ ]" 1
897 1 71 ASP H 1 80 SER HB3 3.186 . 4.455 4.084 4.018 4.149 . 0 0 "[ ]" 1
898 1 71 ASP HA 1 71 ASP HB2 2.682 . 3.581 2.685 2.660 2.710 . 0 0 "[ ]" 1
899 1 71 ASP HA 1 71 ASP HB3 2.714 . 3.635 2.965 2.955 2.975 . 0 0 "[ ]" 1
900 1 71 ASP HA 1 72 ILE N 1.299 . 6.000 2.578 2.573 2.583 . 0 0 "[ ]" 1
901 1 71 ASP HB2 1 72 ILE N 2.470 . 6.000 4.082 4.079 4.085 . 0 0 "[ ]" 1
902 1 71 ASP HB2 1 80 SER HB2 2.615 . 3.470 2.661 2.583 2.739 . 0 0 "[ ]" 1
903 1 71 ASP HB2 1 80 SER HB3 2.967 . 4.068 3.833 3.724 3.942 . 0 0 "[ ]" 1
904 1 71 ASP HB3 1 72 ILE N 2.276 . 2.923 3.034 2.989 3.080 0.157 2 0 "[ ]" 1
905 1 71 ASP HB3 1 80 SER HB2 2.784 . 3.753 2.140 1.957 2.324 . 0 0 "[ ]" 1
906 1 71 ASP HB3 1 80 SER HB3 3.204 . 4.487 3.649 3.456 3.843 . 0 0 "[ ]" 1
907 1 71 ASP N 1 80 SER H 1.431 . 6.000 3.749 3.678 3.819 . 0 0 "[ ]" 1
908 1 71 ASP N 1 80 SER HB3 1.544 . 6.000 4.379 4.282 4.477 . 0 0 "[ ]" 1
909 1 72 ILE H 1 72 ILE MG 3.522 . 5.073 3.585 3.566 3.605 . 0 0 "[ ]" 1
910 1 72 ILE HA 1 72 ILE HG12 2.396 . 3.114 2.468 2.446 2.490 . 0 0 "[ ]" 1
911 1 72 ILE HA 1 72 ILE HG13 3.016 . 4.153 3.592 3.585 3.599 . 0 0 "[ ]" 1
912 1 72 ILE HA 1 72 ILE MG 2.911 . 3.970 2.764 2.752 2.776 . 0 0 "[ ]" 1
913 1 72 ILE HA 1 73 ASP H 2.425 . 3.160 2.133 2.129 2.137 . 0 0 "[ ]" 1
914 1 72 ILE HA 1 73 ASP N 1.356 . 6.000 2.461 2.458 2.463 . 0 0 "[ ]" 1
915 1 72 ILE HA 1 79 ILE HA 2.758 . 3.709 2.293 2.243 2.342 . 0 0 "[ ]" 1
916 1 72 ILE HB 1 72 ILE MG 2.481 . 3.250 2.130 2.129 2.130 . 0 0 "[ ]" 1
917 1 72 ILE MD 1 72 ILE MG 3.636 . 5.289 1.948 1.945 1.950 0.038 1 0 "[ ]" 1
918 1 72 ILE MD 1 79 ILE HB 2.289 . 2.944 1.935 1.933 1.936 . 0 0 "[ ]" 1
919 1 72 ILE HG12 1 73 ASP N 1.484 . 6.000 4.776 4.746 4.807 . 0 0 "[ ]" 1
920 1 72 ILE HG12 1 79 ILE HA 2.961 . 4.057 3.788 3.708 3.868 . 0 0 "[ ]" 1
921 1 72 ILE HG12 1 79 ILE HB 2.777 . 3.741 3.823 3.811 3.835 0.094 2 0 "[ ]" 1
922 1 72 ILE HG13 1 73 ASP N 1.607 . 6.000 5.405 5.370 5.440 . 0 0 "[ ]" 1
923 1 72 ILE MG 1 73 ASP H 3.360 . 4.771 2.999 2.947 3.050 . 0 0 "[ ]" 1
924 1 72 ILE MG 1 74 LEU HA 3.177 . 4.439 3.213 3.033 3.393 . 0 0 "[ ]" 1
925 1 72 ILE MG 1 74 LEU HB2 2.654 . 3.534 3.429 3.272 3.587 0.053 1 0 "[ ]" 1
926 1 72 ILE MG 1 74 LEU HG 3.440 . 4.919 4.213 3.452 4.973 0.054 2 0 "[ ]" 1
927 1 72 ILE MG 1 79 ILE HA 4.102 . 6.205 4.242 4.196 4.289 . 0 0 "[ ]" 1
928 1 72 ILE N 1 80 SER HB2 2.311 . 6.000 4.421 4.354 4.488 . 0 0 "[ ]" 1
929 1 73 ASP H 1 73 ASP HB2 2.790 . 3.763 2.537 2.344 2.729 . 0 0 "[ ]" 1
930 1 73 ASP H 1 78 ARG N 2.084 . 6.000 4.011 3.899 4.123 . 0 0 "[ ]" 1
931 1 73 ASP HA 1 73 ASP HB3 2.998 . 4.121 2.776 2.559 2.993 . 0 0 "[ ]" 1
932 1 73 ASP HA 1 74 LEU H 2.724 . 3.652 2.199 2.103 2.296 . 0 0 "[ ]" 1
933 1 73 ASP HA 1 74 LEU HA 3.126 . 4.347 4.423 4.401 4.445 0.098 1 0 "[ ]" 1
934 1 73 ASP HA 1 74 LEU HB3 3.247 . 4.565 4.552 4.444 4.659 0.094 1 0 "[ ]" 1
935 1 73 ASP HA 1 74 LEU MD2 2.999 . 6.000 5.481 5.334 5.629 . 0 0 "[ ]" 1
936 1 73 ASP HA 1 74 LEU N 1.274 . 6.000 2.496 2.439 2.552 . 0 0 "[ ]" 1
937 1 73 ASP HA 1 75 GLU N 1.843 . 6.000 4.371 4.217 4.524 . 0 0 "[ ]" 1
938 1 73 ASP HA 1 79 ILE HA 2.326 . 6.000 5.511 5.509 5.514 . 0 0 "[ ]" 1
939 1 73 ASP HB2 1 74 LEU N 2.288 . 6.000 4.298 4.111 4.484 . 0 0 "[ ]" 1
940 1 73 ASP HB2 1 77 ARG N 2.000 . 6.000 5.030 3.958 6.103 0.103 1 0 "[ ]" 1
941 1 73 ASP HB2 1 78 ARG H 3.132 . 4.358 3.152 2.048 4.256 . 0 0 "[ ]" 1
942 1 73 ASP HB2 1 78 ARG N 1.590 . 6.000 3.778 2.712 4.843 . 0 0 "[ ]" 1
943 1 73 ASP HB3 1 74 LEU HA 3.564 . 5.151 4.938 4.708 5.168 0.017 2 0 "[ ]" 1
944 1 73 ASP HB3 1 74 LEU N 2.828 . 3.828 3.693 3.548 3.839 0.011 1 0 "[ ]" 1
945 1 73 ASP HB3 1 76 ARG N 4.630 . 7.309 3.707 3.110 4.304 . 0 0 "[ ]" 1
946 1 73 ASP N 1 78 ARG H 1.906 . 6.000 3.861 3.701 4.021 . 0 0 "[ ]" 1
947 1 74 LEU H 1 74 LEU HA 2.974 . 4.080 2.801 2.769 2.832 . 0 0 "[ ]" 1
948 1 74 LEU H 1 74 LEU HB2 2.859 . 3.881 2.967 2.337 3.597 . 0 0 "[ ]" 1
949 1 74 LEU H 1 74 LEU HB3 2.409 . 3.134 2.486 2.479 2.493 . 0 0 "[ ]" 1
950 1 74 LEU H 1 74 LEU MD2 4.409 . 6.839 3.830 3.662 3.997 . 0 0 "[ ]" 1
951 1 74 LEU H 1 75 GLU N 1.476 . 6.000 3.276 3.182 3.370 . 0 0 "[ ]" 1
952 1 74 LEU H 1 76 ARG N 1.978 . 6.000 4.969 4.904 5.034 . 0 0 "[ ]" 1
953 1 74 LEU HA 1 74 LEU HB2 2.640 . 3.511 2.419 2.355 2.483 . 0 0 "[ ]" 1
954 1 74 LEU HA 1 74 LEU HB3 2.516 . 3.307 2.747 2.473 3.021 . 0 0 "[ ]" 1
955 1 74 LEU HA 1 74 LEU MD2 2.560 . 3.379 2.763 2.028 3.498 0.119 1 0 "[ ]" 1
956 1 74 LEU HA 1 77 ARG H 3.471 . 4.977 3.642 3.038 4.245 . 0 0 "[ ]" 1
957 1 74 LEU HA 1 77 ARG N 1.555 . 6.000 4.356 3.661 5.051 . 0 0 "[ ]" 1
958 1 74 LEU HB2 1 74 LEU MD2 2.576 . 3.406 2.398 2.310 2.486 . 0 0 "[ ]" 1
959 1 74 LEU HB2 1 75 GLU HA 2.839 . 6.000 5.278 4.974 5.583 . 0 0 "[ ]" 1
960 1 74 LEU HB3 1 75 GLU H 4.312 . 6.636 3.310 2.392 4.229 . 0 0 "[ ]" 1
961 1 74 LEU MD1 1 75 GLU HG2 2.237 . 2.863 3.111 3.008 3.213 0.350 1 0 "[ ]" 1
962 1 74 LEU MD2 1 74 LEU N 1.592 . 6.000 3.632 3.615 3.648 . 0 0 "[ ]" 1
963 1 74 LEU MD2 1 75 GLU N 1.888 . 6.000 3.318 2.638 3.997 . 0 0 "[ ]" 1
964 1 74 LEU N 1 75 GLU H 1.619 . 6.000 2.427 2.268 2.586 . 0 0 "[ ]" 1
965 1 74 LEU N 1 75 GLU HA 1.629 . 6.000 4.732 4.697 4.768 . 0 0 "[ ]" 1
966 1 75 GLU H 1 75 GLU HA 2.514 . 3.304 2.911 2.907 2.914 . 0 0 "[ ]" 1
967 1 75 GLU H 1 75 GLU HB3 2.931 . 4.005 3.415 3.178 3.651 . 0 0 "[ ]" 1
968 1 75 GLU H 1 76 ARG N 1.654 . 6.000 3.010 2.986 3.034 . 0 0 "[ ]" 1
969 1 75 GLU HA 1 75 GLU HB3 2.579 . 3.410 2.354 2.264 2.444 . 0 0 "[ ]" 1
970 1 75 GLU HA 1 76 ARG H 3.289 . 4.641 3.412 3.403 3.422 . 0 0 "[ ]" 1
971 1 75 GLU HA 1 76 ARG N 1.541 . 6.000 3.194 3.189 3.199 . 0 0 "[ ]" 1
972 1 75 GLU HA 1 77 ARG HE 3.177 . 4.439 4.110 3.598 4.622 0.183 1 0 "[ ]" 1
973 1 75 GLU HA 1 77 ARG HH22 2.844 . 3.855 4.050 3.902 4.197 0.342 2 0 "[ ]" 1
974 1 75 GLU HB3 1 76 ARG N 1.479 . 6.000 4.119 3.841 4.397 . 0 0 "[ ]" 1
975 1 75 GLU HG2 1 76 ARG QD 3.436 . 4.912 4.123 3.473 4.772 . 0 0 "[ ]" 1
976 1 75 GLU HG3 1 76 ARG QD 3.749 . 5.506 3.100 1.992 4.209 . 2 0 "[ ]" 1
977 1 75 GLU HG3 1 76 ARG HH21 2.493 . 6.000 5.257 4.131 6.383 0.383 1 0 "[ ]" 1
978 1 75 GLU N 1 76 ARG H 1.440 . 6.000 2.284 2.226 2.343 . 0 0 "[ ]" 1
979 1 76 ARG H 1 76 ARG HA 2.812 . 3.801 2.947 2.941 2.953 . 0 0 "[ ]" 1
980 1 76 ARG H 1 76 ARG QD 3.309 . 4.677 2.131 1.915 2.346 0.026 2 0 "[ ]" 1
981 1 76 ARG HA 1 76 ARG QD 2.693 . 3.599 3.075 2.815 3.334 . 0 0 "[ ]" 1
982 1 76 ARG HA 1 76 ARG HG2 3.239 . 4.551 3.692 3.666 3.719 . 0 0 "[ ]" 1
983 1 76 ARG HA 1 76 ARG HG3 3.418 . 4.878 2.505 2.504 2.506 . 0 0 "[ ]" 1
984 1 76 ARG HA 1 77 ARG H 3.849 . 5.701 3.186 3.156 3.216 . 0 0 "[ ]" 1
985 1 76 ARG HB2 1 78 ARG HB2 2.562 . 3.383 3.171 2.942 3.399 0.016 1 0 "[ ]" 1
986 1 76 ARG HB3 1 76 ARG QD 3.400 . 4.845 3.265 3.254 3.277 . 0 0 "[ ]" 1
987 1 76 ARG HB3 1 78 ARG HD3 2.289 . 2.944 2.577 2.161 2.994 0.050 1 0 "[ ]" 1
988 1 76 ARG QD 1 76 ARG N 1.794 . 2.196 2.151 2.074 2.227 0.031 2 0 "[ ]" 1
989 1 76 ARG HG2 1 78 ARG HD3 4.460 . 6.947 3.727 3.654 3.800 . 0 0 "[ ]" 1
990 1 76 ARG HH11 1 78 ARG HD3 3.080 . 6.000 5.996 5.923 6.070 0.070 1 0 "[ ]" 1
991 1 77 ARG H 1 77 ARG HA 2.415 . 3.144 2.243 2.242 2.245 . 0 0 "[ ]" 1
992 1 77 ARG H 1 77 ARG HB2 3.463 . 4.962 3.539 3.389 3.690 . 0 0 "[ ]" 1
993 1 77 ARG H 1 77 ARG QD 3.831 . 5.665 2.010 1.868 2.152 0.129 2 0 "[ ]" 1
994 1 77 ARG H 1 77 ARG HG2 3.072 . 4.251 3.730 3.074 4.385 0.134 2 0 "[ ]" 1
995 1 77 ARG H 1 77 ARG HG3 3.242 . 4.556 3.918 3.493 4.344 . 0 0 "[ ]" 1
996 1 77 ARG H 1 78 ARG N 1.911 . 6.000 3.334 3.283 3.385 . 0 0 "[ ]" 1
997 1 77 ARG HA 1 77 ARG HB2 2.722 . 3.648 3.010 3.009 3.012 . 0 0 "[ ]" 1
998 1 77 ARG HA 1 77 ARG QD 2.163 . 2.748 2.414 2.041 2.788 0.040 2 0 "[ ]" 1
999 1 77 ARG HA 1 77 ARG HG2 2.792 . 3.766 3.508 3.381 3.635 . 0 0 "[ ]" 1
1000 1 77 ARG HA 1 77 ARG HG3 2.477 . 3.244 3.064 2.400 3.727 0.483 1 0 "[ ]" 1
1001 1 77 ARG HA 1 78 ARG H 2.645 . 3.519 2.690 2.666 2.713 . 0 0 "[ ]" 1
1002 1 77 ARG HA 1 78 ARG N 1.373 . 6.000 2.774 2.759 2.788 . 0 0 "[ ]" 1
1003 1 77 ARG HB2 1 77 ARG QD 2.799 . 3.345 2.846 2.402 3.290 . 0 0 "[ ]" 1
1004 1 77 ARG HB3 1 77 ARG QD 2.543 . 6.000 2.922 2.546 3.298 . 0 0 "[ ]" 1
1005 1 77 ARG HB3 1 77 ARG HG2 2.303 . 2.966 2.686 2.383 2.989 0.023 1 0 "[ ]" 1
1006 1 77 ARG HB3 1 78 ARG HG2 2.294 . 6.000 5.842 5.756 5.927 . 0 0 "[ ]" 1
1007 1 77 ARG QD 1 77 ARG HG2 2.625 . 3.322 2.315 2.274 2.356 . 0 0 "[ ]" 1
1008 1 77 ARG QD 1 77 ARG HG3 2.509 . 3.296 2.370 2.334 2.406 . 0 0 "[ ]" 1
1009 1 77 ARG QD 1 77 ARG HH11 3.782 . 5.570 2.076 1.732 2.421 0.262 2 0 "[ ]" 1
1010 1 77 ARG HG3 1 78 ARG N 1.905 . 6.000 5.413 5.025 5.801 . 0 0 "[ ]" 1
1011 1 77 ARG HH12 1 77 ARG N 2.046 . 6.000 5.290 4.390 6.190 0.190 2 0 "[ ]" 1
1012 1 77 ARG N 1 78 ARG HB2 1.545 . 6.000 4.503 4.374 4.631 . 0 0 "[ ]" 1
1013 1 78 ARG H 1 78 ARG HB2 3.042 . 4.199 2.675 2.636 2.715 . 0 0 "[ ]" 1
1014 1 78 ARG H 1 78 ARG HB3 3.363 . 4.777 3.784 3.763 3.806 . 0 0 "[ ]" 1
1015 1 78 ARG HA 1 78 ARG HB2 2.672 . 3.565 3.021 3.019 3.023 . 0 0 "[ ]" 1
1016 1 78 ARG HA 1 78 ARG HG2 3.262 . 4.592 2.688 2.672 2.703 . 0 0 "[ ]" 1
1017 1 78 ARG HA 1 79 ILE HB 2.623 . 6.000 4.509 4.421 4.597 . 0 0 "[ ]" 1
1018 1 78 ARG HA 1 79 ILE MG 2.994 . 4.114 3.439 3.378 3.501 . 0 0 "[ ]" 1
1019 1 78 ARG HB2 1 78 ARG HD3 2.899 . 3.950 2.514 2.453 2.576 . 0 0 "[ ]" 1
1020 1 78 ARG HB3 1 78 ARG HD3 2.767 . 3.724 3.266 3.071 3.461 . 0 0 "[ ]" 1
1021 1 78 ARG HB3 1 78 ARG HG2 2.172 . 2.762 2.376 2.327 2.425 . 0 0 "[ ]" 1
1022 1 78 ARG HB3 1 79 ILE H 3.158 . 4.405 2.466 2.281 2.651 . 0 0 "[ ]" 1
1023 1 78 ARG HD3 1 78 ARG HH11 3.181 . 4.446 2.129 1.786 2.472 0.130 1 0 "[ ]" 1
1024 1 78 ARG N 1 79 ILE HA 1.550 . 6.000 4.863 4.840 4.885 . 0 0 "[ ]" 1
1025 1 79 ILE H 1 79 ILE HB 2.904 . 3.958 3.374 3.363 3.384 . 0 0 "[ ]" 1
1026 1 79 ILE H 1 79 ILE MG 3.387 . 4.821 2.225 2.208 2.241 . 0 0 "[ ]" 1
1027 1 79 ILE H 1 80 SER N 1.396 . 6.000 3.859 3.840 3.878 . 0 0 "[ ]" 1
1028 1 79 ILE HA 1 79 ILE MD 3.206 . 4.491 3.866 3.859 3.873 . 0 0 "[ ]" 1
1029 1 79 ILE HA 1 80 SER HA 3.513 . 5.056 4.351 4.347 4.355 . 0 0 "[ ]" 1
1030 1 79 ILE HA 1 80 SER HB2 3.192 . 4.466 4.471 4.459 4.484 0.018 2 0 "[ ]" 1
1031 1 79 ILE HA 1 80 SER HB3 2.977 . 6.000 5.593 5.564 5.621 . 0 0 "[ ]" 1
1032 1 79 ILE HA 1 80 SER N 1.377 . 6.000 2.499 2.487 2.512 . 0 0 "[ ]" 1
1033 1 79 ILE HB 1 79 ILE MD 2.858 . 3.879 2.396 2.373 2.419 . 0 0 "[ ]" 1
1034 1 79 ILE HB 1 79 ILE MG 2.326 . 3.002 2.112 2.106 2.119 . 0 0 "[ ]" 1
1035 1 79 ILE HB 1 80 SER N 1.882 . 6.000 4.162 4.133 4.191 . 0 0 "[ ]" 1
1036 1 79 ILE MD 1 79 ILE MG 2.651 . 3.529 1.984 1.977 1.990 . 0 0 "[ ]" 1
1037 1 79 ILE MD 1 79 ILE N 1.794 . 6.000 4.438 4.425 4.451 . 0 0 "[ ]" 1
1038 1 79 ILE MD 1 81 LEU MD1 2.958 . 4.052 2.213 2.109 2.318 . 0 0 "[ ]" 1
1039 1 79 ILE HG12 1 81 LEU MD1 2.448 . 3.197 2.171 2.159 2.183 . 0 0 "[ ]" 1
1040 1 79 ILE HG13 1 79 ILE MG 3.235 . 4.543 3.191 3.187 3.194 . 0 0 "[ ]" 1
1041 1 79 ILE HG13 1 81 LEU MD1 2.804 . 3.787 3.628 3.593 3.664 . 0 0 "[ ]" 1
1042 1 79 ILE MG 1 80 SER N 1.829 . 6.000 3.575 3.534 3.616 . 0 0 "[ ]" 1
1043 1 80 SER H 1 80 SER HB2 2.874 . 3.907 2.494 2.452 2.535 . 0 0 "[ ]" 1
1044 1 80 SER H 1 80 SER HB3 2.974 . 4.080 3.684 3.657 3.710 . 0 0 "[ ]" 1
1045 1 80 SER H 1 81 LEU HA 2.913 . 6.000 5.137 5.126 5.147 . 0 0 "[ ]" 1
1046 1 80 SER HA 1 80 SER HB2 2.998 . 4.121 3.024 3.022 3.025 . 0 0 "[ ]" 1
1047 1 80 SER HA 1 80 SER HB3 2.808 . 3.794 2.489 2.481 2.498 . 0 0 "[ ]" 1
1048 1 80 SER HA 1 81 LEU H 2.421 . 3.154 2.173 2.163 2.182 . 0 0 "[ ]" 1
1049 1 80 SER HA 1 81 LEU MD2 2.897 . 6.000 5.460 5.416 5.504 . 0 0 "[ ]" 1
1050 1 80 SER HA 1 81 LEU N 1.375 . 6.000 2.482 2.473 2.490 . 0 0 "[ ]" 1
1051 1 80 SER HB3 1 81 LEU N 1.837 . 6.000 3.202 3.180 3.224 . 0 0 "[ ]" 1
1052 1 81 LEU H 1 81 LEU HB3 3.201 . 4.482 3.906 3.892 3.919 . 0 0 "[ ]" 1
1053 1 81 LEU HA 1 81 LEU HB3 2.788 . 3.759 2.417 2.406 2.428 . 0 0 "[ ]" 1
1054 1 81 LEU HA 1 81 LEU MD2 2.613 . 3.466 3.527 3.521 3.532 0.066 1 0 "[ ]" 1
1055 1 81 LEU HA 1 82 SER H 2.588 . 3.425 2.285 2.241 2.329 . 0 0 "[ ]" 1
1056 1 81 LEU HA 1 82 SER N 1.508 . 6.000 2.550 2.522 2.577 . 0 0 "[ ]" 1
1057 1 81 LEU HB2 1 81 LEU MD2 2.425 . 3.160 2.658 2.652 2.664 . 0 0 "[ ]" 1
1058 1 81 LEU HB2 1 82 SER H 3.242 . 4.556 3.759 3.691 3.826 . 0 0 "[ ]" 1
1059 1 81 LEU HB3 1 81 LEU MD2 2.418 . 3.149 2.149 2.146 2.151 . 0 0 "[ ]" 1
1060 1 81 LEU HB3 1 82 SER H 3.665 . 5.344 2.770 2.650 2.891 . 0 0 "[ ]" 1
1061 1 81 LEU HB3 1 82 SER N 1.564 . 6.000 2.966 2.886 3.047 . 0 0 "[ ]" 1
1062 1 81 LEU MD2 1 82 SER HA 3.370 . 6.000 5.831 5.765 5.897 . 0 0 "[ ]" 1
1063 1 82 SER H 1 82 SER HB2 3.004 . 4.132 2.797 2.739 2.854 . 0 0 "[ ]" 1
1064 1 82 SER H 1 82 SER HB3 3.306 . 4.672 3.875 3.844 3.907 . 0 0 "[ ]" 1
1065 1 82 SER HB2 1 84 LYS HB2 3.158 . 4.405 4.016 3.924 4.109 . 0 0 "[ ]" 1
1066 1 82 SER HB2 1 84 LYS HB3 2.575 . 6.000 5.734 5.635 5.832 . 0 0 "[ ]" 1
1067 1 82 SER HB2 1 85 GLN HB3 3.278 . 4.621 4.366 4.243 4.488 . 0 0 "[ ]" 1
1068 1 82 SER HB3 1 84 LYS HG2 2.312 . 2.980 3.140 3.123 3.157 0.177 2 0 "[ ]" 1
1069 1 82 SER HB3 1 85 GLN HE21 3.354 . 4.760 3.765 3.015 4.515 . 0 0 "[ ]" 1
1070 1 82 SER HB3 1 85 GLN HG3 2.940 . 4.021 4.148 3.859 4.437 0.416 2 0 "[ ]" 1
1071 1 82 SER HG 1 85 GLN NE2 1.362 . 6.000 4.794 3.670 5.917 . 0 0 "[ ]" 1
1072 1 83 LEU HA 1 83 LEU HB2 2.474 . 3.239 3.005 3.002 3.007 . 0 0 "[ ]" 1
1073 1 83 LEU HA 1 83 LEU HB3 2.792 . 3.766 2.565 2.560 2.570 . 0 0 "[ ]" 1
1074 1 83 LEU HA 1 83 LEU HG 2.813 . 3.802 2.900 2.880 2.920 . 0 0 "[ ]" 1
1075 1 83 LEU HA 1 84 LYS H 2.913 . 3.974 3.478 3.460 3.497 . 0 0 "[ ]" 1
1076 1 83 LEU HB2 1 84 LYS HA 3.070 . 4.248 4.457 4.433 4.481 0.233 2 0 "[ ]" 1
1077 1 83 LEU HB3 1 84 LYS H 2.319 . 6.000 3.751 3.749 3.754 . 0 0 "[ ]" 1
1078 1 83 LEU MD1 1 83 LEU MD2 2.300 . 2.961 2.084 2.082 2.085 . 0 0 "[ ]" 1
1079 1 83 LEU MD2 1 87 ASN ND2 1.714 . 6.000 4.721 4.713 4.729 . 0 0 "[ ]" 1
1080 1 83 LEU HG 1 84 LYS N 1.996 . 6.000 4.939 4.919 4.958 . 0 0 "[ ]" 1
1081 1 84 LYS H 1 84 LYS HA 2.549 . 3.361 2.811 2.806 2.815 . 0 0 "[ ]" 1
1082 1 84 LYS H 1 84 LYS HB3 2.697 . 3.607 3.595 3.562 3.629 0.022 2 0 "[ ]" 1
1083 1 84 LYS H 1 85 GLN NE2 2.434 . 6.000 5.866 5.724 6.007 0.007 1 0 "[ ]" 1
1084 1 84 LYS HA 1 84 LYS HB2 2.537 . 3.342 3.010 3.006 3.015 . 0 0 "[ ]" 1
1085 1 84 LYS HA 1 84 LYS HB3 2.896 . 3.944 2.375 2.360 2.391 . 0 0 "[ ]" 1
1086 1 84 LYS HA 1 84 LYS HE3 1.874 . 2.313 1.931 1.819 2.044 . 0 0 "[ ]" 1
1087 1 84 LYS HA 1 84 LYS QZ 2.992 . 4.111 2.557 2.107 3.006 . 0 0 "[ ]" 1
1088 1 84 LYS HA 1 87 ASN HD22 3.230 . 4.534 4.331 4.097 4.565 0.031 1 0 "[ ]" 1
1089 1 84 LYS HB2 1 84 LYS HE3 2.562 . 6.000 3.835 3.649 4.020 . 0 0 "[ ]" 1
1090 1 84 LYS HB2 1 84 LYS QZ 2.706 . 3.622 3.680 3.661 3.699 0.077 1 0 "[ ]" 1
1091 1 84 LYS HB2 1 85 GLN H 2.967 . 4.068 2.362 2.241 2.483 . 0 0 "[ ]" 1
1092 1 84 LYS HB3 1 84 LYS HE3 2.833 . 3.836 2.767 2.227 3.308 . 0 0 "[ ]" 1
1093 1 84 LYS HB3 1 84 LYS QZ 2.859 . 3.881 3.559 3.266 3.853 . 0 0 "[ ]" 1
1094 1 84 LYS HB3 1 85 GLN H 3.286 . 4.636 3.681 3.628 3.734 . 0 0 "[ ]" 1
1095 1 84 LYS HB3 1 85 GLN N 1.693 . 6.000 3.574 3.573 3.575 . 0 0 "[ ]" 1
1096 1 84 LYS HE2 1 84 LYS HG2 2.997 . 4.119 3.687 3.625 3.750 . 0 0 "[ ]" 1
1097 1 84 LYS HE3 1 84 LYS HG2 2.319 . 2.991 3.082 3.015 3.149 0.158 1 0 "[ ]" 1
1098 1 84 LYS HE3 1 84 LYS N 1.534 . 6.000 3.177 2.771 3.583 . 0 0 "[ ]" 1
1099 1 84 LYS QZ 1 84 LYS N 1.692 . 2.050 2.202 2.155 2.249 0.199 2 0 "[ ]" 1
1100 1 85 GLN HA 1 86 ALA HA 1.932 . 6.000 4.786 4.749 4.824 . 0 0 "[ ]" 1
1101 1 85 GLN HA 1 88 GLU HB3 2.184 . 2.780 2.157 1.877 2.437 . 0 0 "[ ]" 1
1102 1 85 GLN HA 1 88 GLU QG 2.941 . 4.022 3.711 3.640 3.781 . 0 0 "[ ]" 1
1103 1 85 GLN HA 1 89 ASP N 2.283 . 6.000 4.726 4.396 5.057 . 0 0 "[ ]" 1
1104 1 85 GLN N 1 88 GLU HB3 1.360 . 6.000 3.989 3.757 4.221 . 0 0 "[ ]" 1
1105 1 86 ALA HA 1 86 ALA MB 2.352 . 3.043 2.130 2.129 2.130 . 0 0 "[ ]" 1
1106 1 86 ALA HA 1 87 ASN N 1.540 . 6.000 3.273 3.260 3.286 . 0 0 "[ ]" 1
1107 1 86 ALA HA 1 89 ASP H 3.028 . 4.174 3.702 3.620 3.784 . 0 0 "[ ]" 1
1108 1 86 ALA HA 1 89 ASP QB 2.936 . 4.014 3.678 3.447 3.909 . 0 0 "[ ]" 1
1109 1 86 ALA HA 1 89 ASP N 1.629 . 6.000 4.625 4.558 4.693 . 0 0 "[ ]" 1
1110 1 86 ALA MB 1 87 ASN H 2.826 . 3.824 2.603 2.507 2.700 . 0 0 "[ ]" 1
1111 1 86 ALA MB 1 87 ASN N 1.533 . 6.000 2.795 2.733 2.858 . 0 0 "[ ]" 1
1112 1 86 ALA MB 1 88 GLU N 2.391 . 6.000 4.870 4.837 4.903 . 0 0 "[ ]" 1
1113 1 86 ALA MB 1 89 ASP QB 4.348 . 6.711 4.823 4.479 5.167 . 0 0 "[ ]" 1
1114 1 87 ASN HA 1 87 ASN HB2 2.272 . 2.917 3.027 3.026 3.027 0.110 1 0 "[ ]" 1
1115 1 87 ASN HA 1 87 ASN HB3 2.804 . 3.787 2.510 2.499 2.521 . 0 0 "[ ]" 1
1116 1 87 ASN HA 1 88 GLU HA 3.653 . 5.321 4.806 4.800 4.812 . 0 0 "[ ]" 1
1117 1 87 ASN HB2 1 87 ASN HD21 2.694 . 3.601 2.220 2.201 2.238 . 0 0 "[ ]" 1
1118 1 87 ASN HB2 1 87 ASN HD22 2.879 . 3.915 3.473 3.465 3.482 . 0 0 "[ ]" 1
1119 1 87 ASN HB2 1 88 GLU H 3.286 . 4.636 2.907 2.880 2.935 . 0 0 "[ ]" 1
1120 1 87 ASN HB2 1 88 GLU HA 3.215 . 4.507 4.307 4.303 4.312 . 0 0 "[ ]" 1
1121 1 87 ASN HB3 1 87 ASN HD21 2.543 . 3.351 2.916 2.900 2.933 . 0 0 "[ ]" 1
1122 1 87 ASN HB3 1 88 GLU HA 3.665 . 5.344 4.435 4.407 4.463 . 0 0 "[ ]" 1
1123 1 87 ASN HB3 1 88 GLU N 1.678 . 6.000 3.567 3.557 3.577 . 0 0 "[ ]" 1
1124 1 88 GLU HB2 1 88 GLU QG 3.796 . 5.597 2.241 2.134 2.349 . 0 0 "[ ]" 1
1125 1 89 ASP H 1 89 ASP QB 2.362 . 3.059 2.356 2.293 2.420 . 0 0 "[ ]" 1
1126 1 89 ASP HA 1 89 ASP QB 2.425 . 3.160 2.375 2.348 2.402 . 0 0 "[ ]" 1
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