NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
570768 |
2mhw   |
19658 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mhw
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 317
_Distance_constraint_stats_list.Viol_count 808
_Distance_constraint_stats_list.Viol_total 1112.217
_Distance_constraint_stats_list.Viol_max 1.440
_Distance_constraint_stats_list.Viol_rms 0.0906
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0351
_Distance_constraint_stats_list.Viol_average_violations_only 0.1377
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.980 0.547 5 1 "[ + 1]"
1 2 ILE 7.581 0.479 9 0 "[ . 1]"
1 3 GLY 3.023 0.183 5 0 "[ . 1]"
1 4 GLY 3.451 0.227 5 0 "[ . 1]"
1 5 VAL 10.193 0.547 5 1 "[ + 1]"
1 6 LEU 5.148 0.390 4 0 "[ . 1]"
1 7 LEU 15.368 0.720 9 3 "[ *- +1]"
1 8 SER 7.048 0.514 2 1 "[ + . 1]"
1 9 ALA 3.513 0.271 7 0 "[ . 1]"
1 10 GLY 3.308 0.424 4 0 "[ . 1]"
1 11 LYS 5.742 0.514 2 1 "[ + . 1]"
1 12 ALA 0.593 0.112 3 0 "[ . 1]"
1 13 ALA 3.904 0.307 3 0 "[ . 1]"
1 14 LEU 0.897 0.793 7 1 "[ . + 1]"
1 15 LYS 3.385 0.695 5 2 "[- + 1]"
1 16 GLY 2.598 0.255 2 0 "[ . 1]"
1 17 LEU 5.220 0.241 10 0 "[ . 1]"
1 18 ALA 7.819 0.307 3 0 "[ . 1]"
1 19 LYS 2.903 1.440 2 2 "[ + . -]"
1 20 VAL 8.284 0.245 1 0 "[ . 1]"
1 21 LEU 16.240 0.600 4 3 "[ +. - *1]"
1 22 ALA 6.726 0.318 2 0 "[ . 1]"
1 23 GLU 16.421 1.440 2 5 "[ + *. - **]"
1 24 LYS 15.559 0.686 8 3 "[ -*. + 1]"
1 25 TYR 18.622 0.370 10 0 "[ . 1]"
1 26 ALA 8.452 0.318 2 0 "[ . 1]"
1 27 ASN 6.240 0.352 10 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 GLY HA3 1 2 ILE H 2.708 . 3.625 2.925 2.273 3.341 . 0 0 "[ . 1]" 1
2 1 1 GLY HA3 1 5 VAL MG1 3.614 . 5.247 5.021 4.303 5.794 0.547 5 1 "[ + 1]" 1
3 1 2 ILE H 1 2 ILE HA 2.314 . 2.983 2.935 2.920 2.945 . 0 0 "[ . 1]" 1
4 1 2 ILE H 1 2 ILE HB 2.659 . 3.543 2.519 2.438 2.690 . 0 0 "[ . 1]" 1
5 1 2 ILE H 1 2 ILE HG13 2.706 . 3.621 3.429 2.670 4.063 0.442 9 0 "[ . 1]" 1
6 1 2 ILE H 1 2 ILE MG 2.667 . 3.556 3.768 3.726 3.831 0.275 7 0 "[ . 1]" 1
7 1 2 ILE H 1 3 GLY H 2.814 . 3.804 2.652 2.360 2.789 . 0 0 "[ . 1]" 1
8 1 2 ILE H 1 3 GLY HA2 3.073 . 4.254 4.280 4.148 4.355 0.101 10 0 "[ . 1]" 1
9 1 2 ILE H 1 5 VAL MG1 4.075 . 6.151 2.789 2.427 3.135 . 0 0 "[ . 1]" 1
10 1 2 ILE H 1 6 LEU H 3.980 . 5.960 5.618 5.234 6.024 0.064 10 0 "[ . 1]" 1
11 1 2 ILE H 1 7 LEU HG 3.423 . 4.888 4.209 3.464 4.908 0.020 5 0 "[ . 1]" 1
12 1 2 ILE HB 1 5 VAL MG1 2.572 . 3.399 1.879 1.784 1.983 . 0 0 "[ . 1]" 1
13 1 2 ILE HG13 1 5 VAL MG1 2.366 . 3.066 3.206 2.999 3.545 0.479 9 0 "[ . 1]" 1
14 1 2 ILE MG 1 3 GLY H 2.209 . 2.819 2.488 2.332 2.799 . 0 0 "[ . 1]" 1
15 1 2 ILE MG 1 3 GLY HA2 2.900 . 3.951 4.071 4.024 4.134 0.183 5 0 "[ . 1]" 1
16 1 2 ILE MG 1 4 GLY H 2.193 . 2.794 2.588 1.554 2.849 0.055 8 0 "[ . 1]" 1
17 1 3 GLY H 1 3 GLY HA2 2.293 . 2.950 2.645 2.402 2.718 . 0 0 "[ . 1]" 1
18 1 3 GLY H 1 4 GLY H 2.380 . 3.088 3.135 2.474 3.267 0.179 10 0 "[ . 1]" 1
19 1 3 GLY H 1 7 LEU HG 3.622 . 5.262 5.264 5.133 5.328 0.066 10 0 "[ . 1]" 1
20 1 3 GLY HA2 1 7 LEU H 3.852 . 5.707 5.062 4.446 5.735 0.028 5 0 "[ . 1]" 1
21 1 4 GLY H 1 4 GLY HA2 2.257 . 2.894 2.898 2.884 2.915 0.021 5 0 "[ . 1]" 1
22 1 4 GLY H 1 4 GLY HA3 2.216 . 2.830 2.359 2.316 2.619 . 0 0 "[ . 1]" 1
23 1 4 GLY H 1 5 VAL H 2.455 . 3.208 3.178 2.869 3.294 0.086 4 0 "[ . 1]" 1
24 1 4 GLY HA2 1 5 VAL H 3.594 . 5.209 2.731 2.427 3.013 . 0 0 "[ . 1]" 1
25 1 4 GLY HA3 1 5 VAL H 2.524 . 3.321 3.505 3.405 3.548 0.227 5 0 "[ . 1]" 1
26 1 5 VAL C 1 7 LEU H 2.458 . 3.213 3.282 3.248 3.301 0.088 3 0 "[ . 1]" 1
27 1 5 VAL H 1 5 VAL HA 2.279 . 2.928 2.926 2.890 2.939 0.011 4 0 "[ . 1]" 1
28 1 5 VAL H 1 5 VAL HB 2.530 . 3.330 3.194 3.006 3.439 0.109 5 0 "[ . 1]" 1
29 1 5 VAL H 1 5 VAL MG1 2.386 . 3.097 1.856 1.649 2.185 0.026 9 0 "[ . 1]" 1
30 1 5 VAL H 1 6 LEU H 3.209 . 4.496 2.212 2.128 2.323 . 0 0 "[ . 1]" 1
31 1 5 VAL H 1 6 LEU MD1 2.863 . 3.887 3.998 3.941 4.055 0.168 5 0 "[ . 1]" 1
32 1 5 VAL H 1 7 LEU H 2.907 . 3.963 3.277 3.037 3.428 . 0 0 "[ . 1]" 1
33 1 5 VAL H 1 7 LEU HB2 3.628 . 5.274 4.808 4.565 5.347 0.073 5 0 "[ . 1]" 1
34 1 5 VAL H 1 7 LEU HG 4.752 . 7.575 6.591 6.432 6.879 . 0 0 "[ . 1]" 1
35 1 5 VAL HA 1 5 VAL HB 2.507 . 3.293 2.332 2.314 2.348 . 0 0 "[ . 1]" 1
36 1 5 VAL HA 1 5 VAL MG1 2.620 . 3.478 3.180 3.164 3.191 . 0 0 "[ . 1]" 1
37 1 5 VAL HA 1 5 VAL MG2 1.992 . 2.488 2.525 2.507 2.547 0.059 6 0 "[ . 1]" 1
38 1 5 VAL HA 1 7 LEU H 3.687 . 5.386 4.881 4.834 4.914 . 0 0 "[ . 1]" 1
39 1 5 VAL HB 1 5 VAL MG1 2.189 . 2.788 2.132 2.126 2.140 . 0 0 "[ . 1]" 1
40 1 5 VAL HB 1 5 VAL MG2 2.069 . 2.604 2.125 2.121 2.128 . 0 0 "[ . 1]" 1
41 1 5 VAL HB 1 6 LEU H 3.296 . 4.654 3.899 3.836 3.972 . 0 0 "[ . 1]" 1
42 1 5 VAL MG1 1 5 VAL MG2 1.877 . 2.317 2.081 2.076 2.085 . 0 0 "[ . 1]" 1
43 1 5 VAL MG1 1 7 LEU H 2.766 . 3.723 1.882 1.797 1.944 0.012 2 0 "[ . 1]" 1
44 1 5 VAL MG1 1 7 LEU HB2 2.859 . 3.881 2.735 2.476 3.063 . 0 0 "[ . 1]" 1
45 1 5 VAL MG1 1 7 LEU HG 3.238 . 4.548 4.429 4.269 4.572 0.024 4 0 "[ . 1]" 1
46 1 5 VAL MG1 1 8 SER H 2.607 . 3.456 3.571 3.509 3.638 0.182 9 0 "[ . 1]" 1
47 1 5 VAL MG2 1 6 LEU H 2.289 . 2.944 2.887 2.655 2.997 0.053 10 0 "[ . 1]" 1
48 1 5 VAL MG2 1 7 LEU H 2.410 . 3.136 3.327 3.286 3.391 0.255 5 0 "[ . 1]" 1
49 1 6 LEU H 1 6 LEU MD1 2.234 . 2.858 2.343 2.216 2.434 . 0 0 "[ . 1]" 1
50 1 6 LEU H 1 8 SER H 2.668 . 3.558 3.544 3.314 3.625 0.067 2 0 "[ . 1]" 1
51 1 6 LEU H 1 10 GLY H 3.164 . 4.416 4.437 4.314 4.528 0.112 5 0 "[ . 1]" 1
52 1 6 LEU HA 1 6 LEU HB2 2.168 . 2.755 2.344 2.336 2.350 . 0 0 "[ . 1]" 1
53 1 6 LEU HA 1 6 LEU HB3 2.202 . 2.808 2.554 2.547 2.559 . 0 0 "[ . 1]" 1
54 1 6 LEU HB2 1 7 LEU H 2.863 . 3.887 4.202 4.166 4.277 0.390 4 0 "[ . 1]" 1
55 1 6 LEU HB3 1 6 LEU HG 2.247 . 2.878 2.325 2.315 2.335 . 0 0 "[ . 1]" 1
56 1 6 LEU MD2 1 6 LEU HG 1.984 . 2.476 2.117 2.115 2.121 . 0 0 "[ . 1]" 1
57 1 6 LEU MD2 1 7 LEU H 2.470 . 3.233 3.137 3.036 3.257 0.024 5 0 "[ . 1]" 1
58 1 6 LEU MD2 1 10 GLY H 3.562 . 5.148 4.487 4.206 4.614 . 0 0 "[ . 1]" 1
59 1 7 LEU H 1 7 LEU HB2 2.408 . 3.133 2.316 2.170 2.584 . 0 0 "[ . 1]" 1
60 1 7 LEU H 1 7 LEU HB3 2.443 . 3.189 2.686 2.346 2.849 . 0 0 "[ . 1]" 1
61 1 7 LEU H 1 7 LEU MD2 2.676 . 3.571 3.757 3.595 4.070 0.499 5 0 "[ . 1]" 1
62 1 7 LEU H 1 7 LEU HG 3.984 . 5.968 4.558 4.527 4.580 . 0 0 "[ . 1]" 1
63 1 7 LEU H 1 9 ALA MB 2.371 . 3.074 3.174 3.154 3.225 0.151 5 0 "[ . 1]" 1
64 1 7 LEU HA 1 7 LEU MD2 2.475 . 3.241 2.081 2.006 2.204 . 0 0 "[ . 1]" 1
65 1 7 LEU HB2 1 7 LEU MD2 1.627 . 1.958 2.295 2.120 2.678 0.720 9 3 "[ *- +1]" 1
66 1 7 LEU MD1 1 8 SER HA 3.687 . 5.386 3.004 2.707 3.215 . 0 0 "[ . 1]" 1
67 1 7 LEU MD1 1 10 GLY H 2.956 . 4.049 4.340 4.248 4.473 0.424 4 0 "[ . 1]" 1
68 1 7 LEU MD1 1 11 LYS QE 2.907 . 3.963 3.026 2.431 3.609 . 0 0 "[ . 1]" 1
69 1 7 LEU MD2 1 7 LEU HG 2.286 . 2.939 2.121 2.110 2.138 . 0 0 "[ . 1]" 1
70 1 7 LEU MD2 1 8 SER H 3.485 . 5.003 4.212 3.596 4.465 . 0 0 "[ . 1]" 1
71 1 7 LEU MD2 1 10 GLY H 3.852 . 5.707 5.063 4.218 5.532 . 0 0 "[ . 1]" 1
72 1 8 SER H 1 8 SER HA 2.602 . 3.449 2.935 2.928 2.940 . 0 0 "[ . 1]" 1
73 1 8 SER H 1 9 ALA H 2.443 . 3.189 1.966 1.938 1.998 . 0 0 "[ . 1]" 1
74 1 8 SER H 1 9 ALA MB 2.458 . 3.213 3.463 3.449 3.484 0.271 7 0 "[ . 1]" 1
75 1 8 SER H 1 10 GLY H 3.450 . 4.937 3.434 3.381 3.483 . 0 0 "[ . 1]" 1
76 1 8 SER H 1 10 GLY QA 3.738 . 5.485 5.195 5.096 5.229 . 0 0 "[ . 1]" 1
77 1 8 SER H 1 11 LYS QD 3.120 . 4.337 4.009 3.762 4.192 . 0 0 "[ . 1]" 1
78 1 8 SER H 1 11 LYS QE 3.933 . 5.867 4.846 4.289 5.108 . 0 0 "[ . 1]" 1
79 1 8 SER HA 1 10 GLY QA 3.636 . 5.289 4.287 4.157 4.362 . 0 0 "[ . 1]" 1
80 1 8 SER HB2 1 11 LYS HG2 3.614 . 5.247 4.813 4.057 5.707 0.460 2 0 "[ . 1]" 1
81 1 8 SER HB2 1 14 LEU QD 4.101 . 6.203 6.098 5.863 6.232 0.029 2 0 "[ . 1]" 1
82 1 8 SER HB3 1 11 LYS HG2 3.400 . 4.845 4.532 3.960 5.359 0.514 2 1 "[ + . 1]" 1
83 1 9 ALA H 1 9 ALA HA 2.589 . 3.427 2.760 2.744 2.771 . 0 0 "[ . 1]" 1
84 1 9 ALA H 1 9 ALA MB 1.733 . 2.108 2.095 2.066 2.115 0.007 2 0 "[ . 1]" 1
85 1 9 ALA H 1 10 GLY H 2.959 . 4.053 2.640 2.611 2.669 . 0 0 "[ . 1]" 1
86 1 9 ALA HA 1 9 ALA MB 1.880 . 2.322 2.124 2.119 2.129 . 0 0 "[ . 1]" 1
87 1 9 ALA HA 1 10 GLY H 2.782 . 3.749 3.496 3.467 3.521 . 0 0 "[ . 1]" 1
88 1 9 ALA MB 1 10 GLY H 2.241 . 2.869 2.768 2.661 2.865 . 0 0 "[ . 1]" 1
89 1 9 ALA MB 1 10 GLY QA 2.959 . 4.053 3.682 3.635 3.749 . 0 0 "[ . 1]" 1
90 1 10 GLY H 1 10 GLY QA 2.597 . 3.440 2.250 2.233 2.266 . 0 0 "[ . 1]" 1
91 1 10 GLY H 1 11 LYS H 2.581 . 3.413 2.332 2.284 2.405 . 0 0 "[ . 1]" 1
92 1 10 GLY H 1 11 LYS QB 2.876 . 3.910 3.876 3.836 3.916 0.006 5 0 "[ . 1]" 1
93 1 10 GLY H 1 13 ALA H 3.941 . 5.882 4.509 4.330 4.852 . 0 0 "[ . 1]" 1
94 1 10 GLY QA 1 11 LYS H 3.120 . 4.337 2.610 2.469 2.685 . 0 0 "[ . 1]" 1
95 1 10 GLY QA 1 11 LYS QB 3.649 . 5.313 4.315 4.287 4.347 . 0 0 "[ . 1]" 1
96 1 10 GLY QA 1 11 LYS QD 3.673 . 5.360 4.669 4.416 4.932 . 0 0 "[ . 1]" 1
97 1 10 GLY QA 1 14 LEU QD 3.021 . 4.162 3.321 3.085 3.547 . 0 0 "[ . 1]" 1
98 1 11 LYS H 1 11 LYS HA 2.464 . 3.223 2.750 2.704 2.781 . 0 0 "[ . 1]" 1
99 1 11 LYS H 1 11 LYS QD 2.389 . 3.102 2.916 2.719 3.146 0.044 2 0 "[ . 1]" 1
100 1 11 LYS H 1 11 LYS QE 2.797 . 3.775 2.811 2.076 3.802 0.027 2 0 "[ . 1]" 1
101 1 11 LYS H 1 11 LYS HG3 2.806 . 3.790 3.264 2.291 3.900 0.110 4 0 "[ . 1]" 1
102 1 11 LYS HA 1 11 LYS QB 2.457 . 3.088 2.474 2.405 2.518 . 0 0 "[ . 1]" 1
103 1 11 LYS HA 1 11 LYS QD 3.169 . 4.424 3.716 3.420 4.083 . 0 0 "[ . 1]" 1
104 1 11 LYS HA 1 11 LYS HG3 3.650 . 5.315 2.388 2.242 2.621 . 0 0 "[ . 1]" 1
105 1 11 LYS HA 1 12 ALA HA 3.274 . 4.614 4.671 4.594 4.726 0.112 3 0 "[ . 1]" 1
106 1 11 LYS HA 1 13 ALA H 3.028 . 4.174 4.150 3.928 4.277 0.103 4 0 "[ . 1]" 1
107 1 11 LYS QB 1 11 LYS QD 1.952 . 2.428 2.267 2.181 2.375 . 0 0 "[ . 1]" 1
108 1 11 LYS QB 1 11 LYS QE 2.246 . 2.877 2.367 1.672 2.862 . 0 0 "[ . 1]" 1
109 1 11 LYS QB 1 11 LYS HG3 1.939 . 2.409 2.426 2.403 2.444 0.035 10 0 "[ . 1]" 1
110 1 11 LYS QB 1 12 ALA HA 3.624 . 5.266 3.827 3.653 4.047 . 0 0 "[ . 1]" 1
111 1 11 LYS QD 1 11 LYS QE 2.054 . 2.582 2.025 2.003 2.083 . 0 0 "[ . 1]" 1
112 1 11 LYS QE 1 11 LYS HG3 2.352 . 3.044 2.899 2.599 3.314 0.270 8 0 "[ . 1]" 1
113 1 11 LYS QE 1 13 ALA H 3.871 . 5.744 5.356 4.976 5.802 0.058 10 0 "[ . 1]" 1
114 1 12 ALA H 1 12 ALA HA 2.284 . 2.936 2.854 2.815 2.919 . 0 0 "[ . 1]" 1
115 1 12 ALA H 1 13 ALA H 2.608 . 3.458 2.433 2.166 2.615 . 0 0 "[ . 1]" 1
116 1 12 ALA HA 1 13 ALA H 3.091 . 4.285 3.450 3.396 3.516 . 0 0 "[ . 1]" 1
117 1 12 ALA MB 1 13 ALA HA 3.530 . 5.087 3.871 3.819 3.937 . 0 0 "[ . 1]" 1
118 1 13 ALA H 1 13 ALA HA 2.771 . 3.731 2.837 2.798 2.864 . 0 0 "[ . 1]" 1
119 1 13 ALA H 1 13 ALA MB 2.245 . 2.875 2.286 2.257 2.304 . 0 0 "[ . 1]" 1
120 1 13 ALA H 1 14 LEU H 3.838 . 5.679 2.624 2.531 2.819 . 0 0 "[ . 1]" 1
121 1 13 ALA H 1 15 LYS QG 3.478 . 4.990 4.832 4.499 4.918 . 0 0 "[ . 1]" 1
122 1 13 ALA H 1 17 LEU HB2 2.363 . 3.061 3.179 3.131 3.243 0.182 4 0 "[ . 1]" 1
123 1 13 ALA MB 1 18 ALA HA 1.725 . 2.097 2.334 2.294 2.404 0.307 3 0 "[ . 1]" 1
124 1 14 LEU H 1 14 LEU HA 2.394 . 3.111 2.776 2.733 2.797 . 0 0 "[ . 1]" 1
125 1 14 LEU H 1 14 LEU HB2 2.230 . 2.852 2.748 2.454 3.645 0.793 7 1 "[ . + 1]" 1
126 1 14 LEU H 1 14 LEU QD 2.344 . 3.024 1.908 1.673 2.762 . 0 0 "[ . 1]" 1
127 1 14 LEU QD 1 15 LYS QG 2.588 . 3.425 3.270 1.881 3.466 0.041 10 0 "[ . 1]" 1
128 1 15 LYS H 1 15 LYS HA 2.414 . 3.143 2.890 2.871 2.901 . 0 0 "[ . 1]" 1
129 1 15 LYS H 1 15 LYS HB2 1.953 . 2.430 2.511 2.473 2.528 0.098 6 0 "[ . 1]" 1
130 1 15 LYS H 1 15 LYS QD 2.503 . 3.286 3.281 3.248 3.346 0.060 7 0 "[ . 1]" 1
131 1 15 LYS H 1 15 LYS QG 2.736 . 3.672 2.087 1.915 2.180 . 0 0 "[ . 1]" 1
132 1 15 LYS H 1 16 GLY H 2.339 . 3.023 2.619 2.588 2.711 . 0 0 "[ . 1]" 1
133 1 15 LYS HA 1 15 LYS HB2 2.297 . 2.957 3.000 2.997 3.003 0.046 7 0 "[ . 1]" 1
134 1 15 LYS HA 1 15 LYS HB3 1.929 . 2.394 2.397 2.388 2.410 0.016 7 0 "[ . 1]" 1
135 1 15 LYS HA 1 15 LYS QD 2.206 . 2.814 2.094 1.987 2.230 . 0 0 "[ . 1]" 1
136 1 15 LYS HA 1 15 LYS HE3 3.015 . 4.152 3.385 2.552 4.847 0.695 5 2 "[- + 1]" 1
137 1 15 LYS HA 1 15 LYS QG 2.303 . 2.966 3.003 2.984 3.019 0.053 6 0 "[ . 1]" 1
138 1 15 LYS HB2 1 15 LYS QG 1.914 . 2.372 2.158 2.146 2.166 . 0 0 "[ . 1]" 1
139 1 15 LYS HB3 1 16 GLY QA 3.332 . 4.719 4.114 4.034 4.170 . 0 0 "[ . 1]" 1
140 1 15 LYS QD 1 15 LYS QG 1.937 . 2.406 2.020 1.987 2.084 . 0 0 "[ . 1]" 1
141 1 15 LYS HE3 1 15 LYS QG 2.571 . 3.397 2.785 2.375 3.511 0.114 8 0 "[ . 1]" 1
142 1 16 GLY H 1 16 GLY QA 2.238 . 2.864 2.307 2.300 2.316 . 0 0 "[ . 1]" 1
143 1 16 GLY H 1 17 LEU H 2.582 . 3.415 2.155 2.076 2.185 . 0 0 "[ . 1]" 1
144 1 16 GLY H 1 18 ALA H 2.721 . 3.647 3.849 3.783 3.902 0.255 2 0 "[ . 1]" 1
145 1 16 GLY H 1 20 VAL QG 4.058 . 6.117 6.172 6.092 6.264 0.147 8 0 "[ . 1]" 1
146 1 16 GLY QA 1 17 LEU HB2 3.305 . 4.670 4.520 4.469 4.576 . 0 0 "[ . 1]" 1
147 1 16 GLY QA 1 17 LEU QD 2.579 . 3.410 2.917 2.575 3.354 . 0 0 "[ . 1]" 1
148 1 16 GLY QA 1 18 ALA H 3.310 . 4.679 3.775 3.725 3.806 . 0 0 "[ . 1]" 1
149 1 16 GLY QA 1 19 LYS H 3.218 . 4.513 3.952 3.915 3.980 . 0 0 "[ . 1]" 1
150 1 16 GLY QA 1 19 LYS QB 3.318 . 4.694 3.709 3.636 3.803 . 0 0 "[ . 1]" 1
151 1 17 LEU H 1 17 LEU HA 2.005 . 2.508 2.738 2.732 2.749 0.241 10 0 "[ . 1]" 1
152 1 17 LEU H 1 17 LEU HB2 1.896 . 2.345 2.279 2.222 2.319 . 0 0 "[ . 1]" 1
153 1 17 LEU H 1 17 LEU QD 2.457 . 3.212 2.122 1.881 2.398 . 0 0 "[ . 1]" 1
154 1 17 LEU H 1 19 LYS H 3.427 . 4.895 4.156 4.130 4.203 . 0 0 "[ . 1]" 1
155 1 17 LEU HA 1 17 LEU QD 2.359 . 3.054 2.220 1.753 2.844 . 0 0 "[ . 1]" 1
156 1 17 LEU HB3 1 20 VAL HB 3.124 . 4.344 4.444 4.357 4.518 0.174 10 0 "[ . 1]" 1
157 1 17 LEU QD 1 17 LEU HG 1.934 . 2.401 1.888 1.879 1.895 . 0 0 "[ . 1]" 1
158 1 17 LEU QD 1 20 VAL HA 3.373 . 4.795 4.844 4.728 4.969 0.174 4 0 "[ . 1]" 1
159 1 17 LEU QD 1 20 VAL HB 2.335 . 3.016 2.920 2.772 3.058 0.042 4 0 "[ . 1]" 1
160 1 18 ALA H 1 18 ALA HA 2.168 . 2.755 2.825 2.812 2.838 0.083 1 0 "[ . 1]" 1
161 1 18 ALA H 1 19 LYS H 2.716 . 3.638 2.478 2.438 2.522 . 0 0 "[ . 1]" 1
162 1 18 ALA HA 1 18 ALA MB 2.183 . 2.779 2.111 2.107 2.116 . 0 0 "[ . 1]" 1
163 1 18 ALA HA 1 20 VAL QG 3.243 . 4.557 3.845 3.769 3.902 . 0 0 "[ . 1]" 1
164 1 18 ALA MB 1 19 LYS H 2.394 . 3.111 3.042 2.997 3.173 0.062 1 0 "[ . 1]" 1
165 1 18 ALA MB 1 21 LEU HG 2.209 . 2.819 3.085 3.053 3.113 0.294 5 0 "[ . 1]" 1
166 1 19 LYS H 1 19 LYS HA 2.729 . 3.660 2.795 2.787 2.817 . 0 0 "[ . 1]" 1
167 1 19 LYS H 1 19 LYS QB 2.356 . 3.050 2.265 2.060 2.329 . 0 0 "[ . 1]" 1
168 1 19 LYS H 1 19 LYS QD 2.873 . 3.905 3.655 2.896 3.875 . 0 0 "[ . 1]" 1
169 1 19 LYS H 1 19 LYS QE 3.730 . 5.469 4.558 3.578 4.782 . 0 0 "[ . 1]" 1
170 1 19 LYS H 1 19 LYS QG 2.303 . 2.966 2.224 2.035 2.952 . 0 0 "[ . 1]" 1
171 1 19 LYS H 1 20 VAL QG 2.801 . 3.782 3.785 3.710 3.835 0.053 2 0 "[ . 1]" 1
172 1 19 LYS H 1 21 LEU H 2.933 . 4.009 3.631 3.604 3.645 . 0 0 "[ . 1]" 1
173 1 19 LYS HA 1 19 LYS QB 1.995 . 2.493 2.174 2.159 2.183 . 0 0 "[ . 1]" 1
174 1 19 LYS QB 1 19 LYS QE . . 2.297 1.876 1.691 2.218 0.064 1 0 "[ . 1]" 1
175 1 19 LYS QB 1 19 LYS QG 2.216 . 2.830 2.016 2.005 2.067 . 0 0 "[ . 1]" 1
176 1 19 LYS QB 1 20 VAL H 2.616 . 3.471 3.353 3.273 3.399 . 0 0 "[ . 1]" 1
177 1 19 LYS QD 1 20 VAL QG 2.855 . 3.874 3.000 2.793 3.701 . 0 0 "[ . 1]" 1
178 1 19 LYS QD 1 23 GLU QB 3.933 . 5.867 5.359 4.454 7.307 1.440 2 2 "[ + . -]" 1
179 1 19 LYS QE 1 20 VAL QG 3.741 . 5.490 4.359 4.107 4.828 . 0 0 "[ . 1]" 1
180 1 19 LYS QG 1 20 VAL QG 2.250 . 2.883 2.875 2.667 2.945 0.062 4 0 "[ . 1]" 1
181 1 20 VAL H 1 20 VAL HB 2.865 . 3.891 2.638 2.506 2.715 . 0 0 "[ . 1]" 1
182 1 20 VAL H 1 20 VAL QG 2.355 . 3.049 2.123 2.089 2.159 . 0 0 "[ . 1]" 1
183 1 20 VAL H 1 21 LEU HA 3.279 . 4.623 4.616 4.564 4.732 0.109 1 0 "[ . 1]" 1
184 1 20 VAL H 1 21 LEU HB2 2.586 . 3.422 3.439 3.414 3.495 0.073 1 0 "[ . 1]" 1
185 1 20 VAL HA 1 20 VAL HB 2.825 . 3.823 2.498 2.471 2.511 . 0 0 "[ . 1]" 1
186 1 20 VAL HA 1 20 VAL QG 2.682 . 3.581 2.267 2.253 2.285 . 0 0 "[ . 1]" 1
187 1 20 VAL HA 1 23 GLU H 3.169 . 4.424 4.010 3.709 4.098 . 0 0 "[ . 1]" 1
188 1 20 VAL HA 1 23 GLU QB 3.342 . 4.738 2.788 2.741 2.844 . 0 0 "[ . 1]" 1
189 1 20 VAL HA 1 23 GLU HG2 3.663 . 5.340 3.463 3.088 3.614 . 0 0 "[ . 1]" 1
190 1 20 VAL HA 1 24 LYS HG2 3.467 . 4.969 3.545 3.401 3.667 . 0 0 "[ . 1]" 1
191 1 20 VAL HB 1 21 LEU H 2.662 . 3.548 3.751 3.723 3.781 0.233 6 0 "[ . 1]" 1
192 1 20 VAL HB 1 24 LYS QD 3.293 . 4.648 4.583 4.559 4.646 . 0 0 "[ . 1]" 1
193 1 20 VAL HB 1 24 LYS HG2 3.400 . 4.845 4.922 4.852 4.962 0.117 7 0 "[ . 1]" 1
194 1 20 VAL HB 1 24 LYS HG3 3.284 . 4.632 4.597 4.518 4.729 0.097 6 0 "[ . 1]" 1
195 1 20 VAL MG1 1 20 VAL MG2 2.054 . 2.582 2.077 2.064 2.085 . 0 0 "[ . 1]" 1
196 1 20 VAL QG 1 21 LEU H 2.419 . 3.150 1.974 1.948 2.001 . 0 0 "[ . 1]" 1
197 1 20 VAL QG 1 21 LEU HA 2.294 . 2.952 2.707 2.664 2.823 . 0 0 "[ . 1]" 1
198 1 20 VAL QG 1 21 LEU HB2 2.410 . 3.136 3.218 3.197 3.235 0.099 1 0 "[ . 1]" 1
199 1 20 VAL QG 1 21 LEU MD2 1.835 . 2.256 2.360 2.303 2.501 0.245 1 0 "[ . 1]" 1
200 1 20 VAL QG 1 22 ALA H 3.084 . 4.273 4.324 4.240 4.351 0.078 8 0 "[ . 1]" 1
201 1 20 VAL QG 1 23 GLU QB 3.223 . 4.521 2.995 2.791 3.128 . 0 0 "[ . 1]" 1
202 1 20 VAL QG 1 23 GLU HG2 3.415 . 4.873 4.337 4.188 4.420 . 0 0 "[ . 1]" 1
203 1 20 VAL QG 1 23 GLU HG3 3.391 . 4.828 3.357 2.963 3.560 . 0 0 "[ . 1]" 1
204 1 20 VAL QG 1 24 LYS HE3 4.954 . 8.022 3.956 3.676 4.374 . 0 0 "[ . 1]" 1
205 1 20 VAL QG 1 24 LYS HG2 2.914 . 3.975 2.315 2.199 2.405 . 0 0 "[ . 1]" 1
206 1 20 VAL QG 1 25 TYR HB3 4.080 . 6.161 5.416 5.289 5.543 . 0 0 "[ . 1]" 1
207 1 21 LEU H 1 21 LEU HB2 1.895 . 2.344 1.850 1.810 1.864 . 0 0 "[ . 1]" 1
208 1 21 LEU H 1 21 LEU MD2 2.038 . 2.557 2.660 2.616 2.685 0.128 9 0 "[ . 1]" 1
209 1 21 LEU H 1 23 GLU HG2 4.324 . 6.661 4.284 4.216 4.447 . 0 0 "[ . 1]" 1
210 1 21 LEU HA 1 21 LEU MD1 2.378 . 3.085 2.394 2.257 2.470 . 0 0 "[ . 1]" 1
211 1 21 LEU HA 1 22 ALA H 2.724 . 3.652 3.510 3.502 3.524 . 0 0 "[ . 1]" 1
212 1 21 LEU HB2 1 23 GLU HG3 3.489 . 5.011 5.080 4.965 5.150 0.139 9 0 "[ . 1]" 1
213 1 21 LEU HB3 1 21 LEU HG 2.474 . 3.239 2.500 2.474 2.528 . 0 0 "[ . 1]" 1
214 1 21 LEU HB3 1 23 GLU HG2 3.329 . 4.714 4.809 4.676 5.003 0.289 1 0 "[ . 1]" 1
215 1 21 LEU HB3 1 23 GLU HG3 3.683 . 5.378 5.400 5.218 5.459 0.081 4 0 "[ . 1]" 1
216 1 21 LEU MD1 1 23 GLU QB 3.965 . 5.930 5.905 5.878 5.925 . 0 0 "[ . 1]" 1
217 1 21 LEU MD1 1 25 TYR HB3 2.647 . 3.523 3.147 2.980 3.259 . 0 0 "[ . 1]" 1
218 1 21 LEU MD2 1 25 TYR CE1 3.561 . 5.146 3.250 3.137 3.357 . 0 0 "[ . 1]" 1
219 1 21 LEU MD2 1 25 TYR HB2 3.218 . 4.513 2.833 2.687 2.923 . 0 0 "[ . 1]" 1
220 1 21 LEU MD2 1 25 TYR HB3 2.595 . 3.437 3.559 3.534 3.593 0.156 5 0 "[ . 1]" 1
221 1 21 LEU MD2 1 25 TYR HD1 3.365 . 4.781 3.146 3.010 3.275 . 0 0 "[ . 1]" 1
222 1 21 LEU MD2 1 25 TYR HE1 3.243 . 4.557 3.555 3.436 3.624 . 0 0 "[ . 1]" 1
223 1 21 LEU HG 1 23 GLU HG3 4.371 . 6.759 7.263 7.145 7.359 0.600 4 3 "[ +. - *1]" 1
224 1 22 ALA H 1 22 ALA MB 1.881 . 2.323 2.222 2.214 2.229 . 0 0 "[ . 1]" 1
225 1 22 ALA H 1 23 GLU H 2.776 . 3.740 2.580 2.475 2.659 . 0 0 "[ . 1]" 1
226 1 22 ALA H 1 23 GLU QB 3.800 . 5.605 4.443 4.403 4.499 . 0 0 "[ . 1]" 1
227 1 22 ALA H 1 26 ALA H 2.983 . 4.096 4.379 4.319 4.414 0.318 2 0 "[ . 1]" 1
228 1 22 ALA HA 1 22 ALA MB 1.613 . 1.938 2.113 2.111 2.115 0.177 10 0 "[ . 1]" 1
229 1 22 ALA MB 1 23 GLU H 2.339 . 3.023 3.157 3.139 3.196 0.173 6 0 "[ . 1]" 1
230 1 22 ALA MB 1 23 GLU HG2 2.812 . 3.800 2.697 2.683 2.751 . 0 0 "[ . 1]" 1
231 1 22 ALA MB 1 23 GLU HG3 2.964 . 4.062 4.088 4.077 4.104 0.042 5 0 "[ . 1]" 1
232 1 23 GLU H 1 23 GLU HA 2.365 . 3.064 2.897 2.893 2.903 . 0 0 "[ . 1]" 1
233 1 23 GLU H 1 23 GLU QB 2.690 . 3.595 2.425 2.325 2.521 . 0 0 "[ . 1]" 1
234 1 23 GLU H 1 23 GLU HG2 3.028 . 4.174 1.874 1.824 1.976 0.058 8 0 "[ . 1]" 1
235 1 23 GLU H 1 23 GLU HG3 3.102 . 4.304 2.811 2.542 2.919 . 0 0 "[ . 1]" 1
236 1 23 GLU H 1 24 LYS HE3 3.751 . 5.509 5.005 4.303 5.894 0.385 4 0 "[ . 1]" 1
237 1 23 GLU H 1 24 LYS HG2 4.542 . 7.121 3.343 3.220 3.390 . 0 0 "[ . 1]" 1
238 1 23 GLU HA 1 23 GLU QB 2.168 . 2.755 2.271 2.252 2.299 . 0 0 "[ . 1]" 1
239 1 23 GLU HA 1 23 GLU HG2 2.672 . 3.564 2.795 2.760 2.834 . 0 0 "[ . 1]" 1
240 1 23 GLU HA 1 23 GLU HG3 2.729 . 3.660 3.837 3.823 3.850 0.190 7 0 "[ . 1]" 1
241 1 23 GLU HA 1 27 ASN HB2 3.556 . 5.136 3.328 3.079 3.575 . 0 0 "[ . 1]" 1
242 1 23 GLU HA 1 27 ASN HB3 3.521 . 5.070 5.007 4.686 5.154 0.084 10 0 "[ . 1]" 1
243 1 23 GLU QB 1 23 GLU HG2 2.464 . 3.223 2.483 2.459 2.526 . 0 0 "[ . 1]" 1
244 1 23 GLU QB 1 23 GLU HG3 2.584 . 3.390 2.125 2.100 2.138 . 0 0 "[ . 1]" 1
245 1 23 GLU QB 1 24 LYS H 3.314 . 3.866 1.985 1.926 2.038 0.015 6 0 "[ . 1]" 1
246 1 23 GLU QB 1 24 LYS HB2 3.749 . 5.506 4.184 4.123 4.209 . 0 0 "[ . 1]" 1
247 1 23 GLU QB 1 24 LYS HB3 3.228 . 4.530 4.372 4.293 4.403 . 0 0 "[ . 1]" 1
248 1 23 GLU QB 1 24 LYS QD 3.105 . 4.310 2.731 1.839 2.878 0.125 6 0 "[ . 1]" 1
249 1 23 GLU QB 1 24 LYS HG2 2.501 . 3.283 1.821 1.771 1.921 0.018 1 0 "[ . 1]" 1
250 1 23 GLU QB 1 25 TYR H 3.243 . 4.557 4.039 3.973 4.107 . 0 0 "[ . 1]" 1
251 1 23 GLU HG2 1 24 LYS H 3.442 . 4.923 3.652 3.603 3.743 . 0 0 "[ . 1]" 1
252 1 23 GLU HG2 1 24 LYS HG2 3.169 . 4.424 4.240 4.191 4.280 . 0 0 "[ . 1]" 1
253 1 23 GLU HG2 1 26 ALA MB 3.319 . 4.696 4.786 4.721 4.864 0.168 1 0 "[ . 1]" 1
254 1 23 GLU HG3 1 24 LYS H 3.371 . 4.791 3.761 3.491 3.872 . 0 0 "[ . 1]" 1
255 1 23 GLU HG3 1 24 LYS QD 3.091 . 4.285 4.272 3.704 4.371 0.086 7 0 "[ . 1]" 1
256 1 23 GLU HG3 1 24 LYS HG2 2.762 . 3.715 3.653 3.379 3.745 0.030 4 0 "[ . 1]" 1
257 1 24 LYS H 1 24 LYS HA 2.291 . 2.947 2.915 2.903 2.919 . 0 0 "[ . 1]" 1
258 1 24 LYS H 1 24 LYS HB2 2.614 . 3.468 2.822 2.806 2.842 . 0 0 "[ . 1]" 1
259 1 24 LYS H 1 24 LYS HB3 2.533 . 3.335 3.515 3.502 3.525 0.190 2 0 "[ . 1]" 1
260 1 24 LYS H 1 25 TYR HE1 3.637 . 5.291 3.732 3.661 3.787 . 0 0 "[ . 1]" 1
261 1 24 LYS HA 1 24 LYS HE3 3.435 . 4.910 3.067 2.106 3.965 . 0 0 "[ . 1]" 1
262 1 24 LYS HA 1 24 LYS HG2 2.485 . 3.257 3.244 3.193 3.404 0.147 6 0 "[ . 1]" 1
263 1 24 LYS HA 1 25 TYR H 2.657 . 3.539 3.490 3.478 3.500 . 0 0 "[ . 1]" 1
264 1 24 LYS HA 1 25 TYR HA 3.204 . 4.487 4.623 4.599 4.634 0.147 8 0 "[ . 1]" 1
265 1 24 LYS HB2 1 25 TYR HA 2.941 . 4.022 3.515 3.487 3.556 . 0 0 "[ . 1]" 1
266 1 24 LYS HB2 1 25 TYR HB2 3.043 . 4.201 4.124 4.055 4.173 . 0 0 "[ . 1]" 1
267 1 24 LYS HB2 1 25 TYR HD1 3.268 . 4.603 2.396 2.321 2.473 . 0 0 "[ . 1]" 1
268 1 24 LYS HB2 1 25 TYR HE1 4.237 . 6.481 2.843 2.760 2.959 . 0 0 "[ . 1]" 1
269 1 24 LYS HB3 1 25 TYR HA 3.209 . 4.496 4.590 4.580 4.612 0.116 6 0 "[ . 1]" 1
270 1 24 LYS HB3 1 25 TYR HB2 3.714 . 5.439 5.770 5.727 5.809 0.370 10 0 "[ . 1]" 1
271 1 24 LYS HB3 1 25 TYR HD1 3.043 . 4.201 4.048 3.991 4.118 . 0 0 "[ . 1]" 1
272 1 24 LYS HB3 1 25 TYR HE1 3.682 . 5.376 4.050 3.913 4.182 . 0 0 "[ . 1]" 1
273 1 24 LYS QD 1 24 LYS HG3 1.934 . 2.401 2.169 2.158 2.224 . 0 0 "[ . 1]" 1
274 1 24 LYS QD 1 25 TYR HD1 3.914 . 5.829 4.689 4.461 4.745 . 0 0 "[ . 1]" 1
275 1 24 LYS HE3 1 24 LYS HG3 2.644 . 3.518 3.784 3.370 4.204 0.686 8 3 "[ -*. + 1]" 1
276 1 24 LYS HG2 1 25 TYR H 3.975 . 5.950 3.147 2.971 3.251 . 0 0 "[ . 1]" 1
277 1 24 LYS HG2 1 25 TYR HD1 3.889 . 5.779 3.001 2.717 3.125 . 0 0 "[ . 1]" 1
278 1 24 LYS HG2 1 25 TYR HE1 4.250 . 6.508 2.949 2.624 3.084 . 0 0 "[ . 1]" 1
279 1 24 LYS HG2 1 27 ASN H 3.531 . 5.089 5.309 5.287 5.327 0.238 10 0 "[ . 1]" 1
280 1 24 LYS HG3 1 25 TYR H 3.253 . 4.575 3.781 3.682 3.968 . 0 0 "[ . 1]" 1
281 1 24 LYS HG3 1 25 TYR HE1 3.466 . 4.968 2.019 1.956 2.100 0.008 5 0 "[ . 1]" 1
282 1 25 TYR H 1 25 TYR HA 2.882 . 3.920 2.849 2.834 2.864 . 0 0 "[ . 1]" 1
283 1 25 TYR H 1 25 TYR HB2 2.581 . 3.413 2.434 2.404 2.449 . 0 0 "[ . 1]" 1
284 1 25 TYR H 1 25 TYR HB3 2.528 . 3.327 3.522 3.510 3.536 0.209 7 0 "[ . 1]" 1
285 1 25 TYR H 1 25 TYR HE1 3.654 . 5.323 3.616 3.563 3.672 . 0 0 "[ . 1]" 1
286 1 25 TYR H 1 26 ALA H 2.153 . 2.732 2.431 2.351 2.497 . 0 0 "[ . 1]" 1
287 1 25 TYR H 1 27 ASN H 3.541 . 5.108 3.142 3.039 3.217 . 0 0 "[ . 1]" 1
288 1 25 TYR HA 1 25 TYR HB2 2.732 . 3.665 2.996 2.993 3.001 . 0 0 "[ . 1]" 1
289 1 25 TYR HA 1 25 TYR HB3 2.564 . 3.386 2.440 2.433 2.453 . 0 0 "[ . 1]" 1
290 1 25 TYR HA 1 25 TYR HE1 3.622 . 5.262 5.474 5.440 5.500 0.238 6 0 "[ . 1]" 1
291 1 25 TYR HA 1 26 ALA H 3.467 . 4.969 3.520 3.509 3.525 . 0 0 "[ . 1]" 1
292 1 25 TYR HA 1 27 ASN H 4.021 . 6.042 4.040 3.997 4.134 . 0 0 "[ . 1]" 1
293 1 25 TYR HB2 1 25 TYR HD1 2.382 . 3.091 2.374 2.357 2.402 . 0 0 "[ . 1]" 1
294 1 25 TYR HB2 1 26 ALA H 2.663 . 3.549 1.907 1.876 1.925 . 0 0 "[ . 1]" 1
295 1 25 TYR HB2 1 26 ALA MB 3.066 . 4.241 3.356 3.326 3.391 . 0 0 "[ . 1]" 1
296 1 25 TYR HB3 1 25 TYR HD1 2.643 . 3.516 3.587 3.583 3.595 0.079 4 0 "[ . 1]" 1
297 1 25 TYR HB3 1 25 TYR HE1 3.658 . 5.331 5.318 5.315 5.323 . 0 0 "[ . 1]" 1
298 1 25 TYR HB3 1 26 ALA H 2.452 . 3.204 3.251 3.221 3.270 0.066 4 0 "[ . 1]" 1
299 1 25 TYR HD1 1 26 ALA H 2.924 . 3.992 3.091 3.073 3.124 . 0 0 "[ . 1]" 1
300 1 25 TYR HD1 1 26 ALA MB 3.420 . 4.882 4.462 4.423 4.499 . 0 0 "[ . 1]" 1
301 1 25 TYR HD1 1 27 ASN HB2 3.635 . 5.287 5.496 5.409 5.639 0.352 10 0 "[ . 1]" 1
302 1 25 TYR HD1 1 27 ASN HB3 3.742 . 5.493 5.580 5.428 5.654 0.161 2 0 "[ . 1]" 1
303 1 25 TYR HE1 1 26 ALA H 3.618 . 5.254 5.460 5.445 5.493 0.239 2 0 "[ . 1]" 1
304 1 25 TYR HE1 1 26 ALA MB 4.090 . 6.181 6.325 6.296 6.374 0.193 2 0 "[ . 1]" 1
305 1 26 ALA H 1 26 ALA HA 2.524 . 3.320 2.866 2.857 2.875 . 0 0 "[ . 1]" 1
306 1 26 ALA H 1 26 ALA MB 1.905 . 2.358 2.194 2.182 2.207 . 0 0 "[ . 1]" 1
307 1 26 ALA H 1 27 ASN H 2.684 . 3.584 2.388 2.361 2.419 . 0 0 "[ . 1]" 1
308 1 26 ALA HA 1 26 ALA MB 1.794 . 2.196 2.132 2.128 2.136 . 0 0 "[ . 1]" 1
309 1 26 ALA HA 1 27 ASN H 2.878 . 3.913 3.386 3.373 3.407 . 0 0 "[ . 1]" 1
310 1 26 ALA MB 1 27 ASN H 2.193 . 2.794 2.870 2.813 2.916 0.122 7 0 "[ . 1]" 1
311 1 26 ALA MB 1 27 ASN HA 3.441 . 4.921 4.032 3.981 4.080 . 0 0 "[ . 1]" 1
312 1 26 ALA MB 1 27 ASN HB2 3.372 . 4.793 4.621 4.419 4.727 . 0 0 "[ . 1]" 1
313 1 27 ASN H 1 27 ASN HA 2.618 . 3.475 2.727 2.707 2.785 . 0 0 "[ . 1]" 1
314 1 27 ASN H 1 27 ASN HB2 2.629 . 3.493 2.454 2.405 2.546 . 0 0 "[ . 1]" 1
315 1 27 ASN H 1 27 ASN HB3 2.726 . 3.655 2.481 2.370 2.540 . 0 0 "[ . 1]" 1
316 1 27 ASN HA 1 27 ASN HB2 2.833 . 3.836 2.415 2.363 2.471 . 0 0 "[ . 1]" 1
317 1 27 ASN HA 1 27 ASN HB3 2.646 . 3.521 3.016 3.006 3.021 . 0 0 "[ . 1]" 1
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