NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573686 |
2m59   |
19041 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m59
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 530
_Distance_constraint_stats_list.Viol_count 1211
_Distance_constraint_stats_list.Viol_total 1321.905
_Distance_constraint_stats_list.Viol_max 1.563
_Distance_constraint_stats_list.Viol_rms 0.0892
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0249
_Distance_constraint_stats_list.Viol_average_violations_only 0.1092
_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 GLU 0.000 0.000 . 0 "[ . 1]"
1 2 LYS 0.051 0.016 7 0 "[ . 1]"
1 3 THR 13.858 0.617 4 10 [-**+******]
1 4 ASN 11.218 0.592 9 10 [-*******+*]
1 5 LEU 7.521 0.403 10 0 "[ . 1]"
1 6 GLU 1.909 0.143 1 0 "[ . 1]"
1 7 ILE 5.047 0.136 4 0 "[ . 1]"
1 8 ILE 1.879 0.089 1 0 "[ . 1]"
1 9 ILE 2.856 0.154 8 0 "[ . 1]"
1 10 LEU 5.815 0.204 7 0 "[ . 1]"
1 11 VAL 1.910 0.109 2 0 "[ . 1]"
1 12 GLY 0.677 0.072 8 0 "[ . 1]"
1 13 THR 3.145 0.173 10 0 "[ . 1]"
1 14 ALA 1.692 0.109 2 0 "[ . 1]"
1 15 VAL 0.504 0.067 9 0 "[ . 1]"
1 16 ILE 2.193 0.167 1 0 "[ . 1]"
1 17 ALA 0.048 0.009 4 0 "[ . 1]"
1 18 MET 0.504 0.067 9 0 "[ . 1]"
1 19 PHE 1.690 0.147 8 0 "[ . 1]"
1 20 PHE 10.199 1.558 8 9 "[* **-**+**]"
1 21 TRP 1.213 0.110 8 0 "[ . 1]"
1 22 LEU 1.494 0.147 8 0 "[ . 1]"
1 23 LEU 11.354 1.563 8 9 "[- *****+**]"
1 24 LEU 3.240 0.152 6 0 "[ . 1]"
1 25 VAL 2.044 0.098 10 0 "[ . 1]"
1 26 ILE 3.012 0.151 5 0 "[ . 1]"
1 27 ILE 2.477 0.153 7 0 "[ . 1]"
1 28 LEU 3.166 0.152 6 0 "[ . 1]"
1 29 ARG 2.947 0.151 5 0 "[ . 1]"
1 30 THR 4.566 0.238 7 0 "[ . 1]"
1 31 VAL 4.775 0.238 7 0 "[ . 1]"
1 32 LYS 1.905 0.092 4 0 "[ . 1]"
1 33 ARG 2.064 0.153 7 0 "[ . 1]"
1 34 ALA 0.369 0.042 7 0 "[ . 1]"
1 35 ASN 0.068 0.013 1 0 "[ . 1]"
1 36 GLY 0.002 0.002 8 0 "[ . 1]"
1 37 GLY 0.000 0.000 . 0 "[ . 1]"
2 1 GLU 0.000 0.000 . 0 "[ . 1]"
2 2 LYS 0.045 0.016 7 0 "[ . 1]"
2 3 THR 13.854 0.617 6 10 [*****+****]
2 4 ASN 11.213 0.593 10 10 [*****-***+]
2 5 LEU 7.548 0.404 2 0 "[ . 1]"
2 6 GLU 1.900 0.136 4 0 "[ . 1]"
2 7 ILE 5.045 0.143 1 0 "[ . 1]"
2 8 ILE 1.879 0.088 7 0 "[ . 1]"
2 9 ILE 2.866 0.154 2 0 "[ . 1]"
2 10 LEU 5.835 0.210 1 0 "[ . 1]"
2 11 VAL 1.921 0.111 2 0 "[ . 1]"
2 12 GLY 0.686 0.075 8 0 "[ . 1]"
2 13 THR 3.126 0.173 9 0 "[ . 1]"
2 14 ALA 1.703 0.111 2 0 "[ . 1]"
2 15 VAL 0.523 0.066 9 0 "[ . 1]"
2 16 ILE 2.148 0.165 1 0 "[ . 1]"
2 17 ALA 0.059 0.009 2 0 "[ . 1]"
2 18 MET 0.523 0.066 9 0 "[ . 1]"
2 19 PHE 1.681 0.143 8 0 "[ . 1]"
2 20 PHE 10.207 1.563 8 9 "[- *****+**]"
2 21 TRP 1.196 0.111 8 0 "[ . 1]"
2 22 LEU 1.522 0.143 8 0 "[ . 1]"
2 23 LEU 11.304 1.558 8 9 "[* **-**+**]"
2 24 LEU 3.238 0.153 7 0 "[ . 1]"
2 25 VAL 2.033 0.099 10 0 "[ . 1]"
2 26 ILE 2.989 0.151 5 0 "[ . 1]"
2 27 ILE 2.450 0.149 7 0 "[ . 1]"
2 28 LEU 3.144 0.151 7 0 "[ . 1]"
2 29 ARG 2.950 0.151 5 0 "[ . 1]"
2 30 THR 4.547 0.239 3 0 "[ . 1]"
2 31 VAL 4.802 0.239 3 0 "[ . 1]"
2 32 LYS 1.948 0.092 4 0 "[ . 1]"
2 33 ARG 2.043 0.154 7 0 "[ . 1]"
2 34 ALA 0.375 0.040 7 0 "[ . 1]"
2 35 ASN 0.072 0.014 1 0 "[ . 1]"
2 36 GLY 0.000 0.000 . 0 "[ . 1]"
2 37 GLY 0.000 0.000 . 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 GLU H1 1 1 GLU HA . . 3.400 2.814 2.663 2.943 . 0 0 "[ . 1]" 1
2 1 1 GLU H1 1 1 GLU HB2 . . 3.300 2.410 2.125 2.649 . 0 0 "[ . 1]" 1
3 1 1 GLU H1 1 1 GLU QG . . 3.520 2.620 2.154 3.502 . 0 0 "[ . 1]" 1
4 1 1 GLU HA 1 2 LYS H . . 2.940 2.592 2.204 2.926 . 0 0 "[ . 1]" 1
5 1 2 LYS H 1 2 LYS QB . . 3.060 2.434 2.111 3.066 0.006 5 0 "[ . 1]" 1
6 1 2 LYS H 1 2 LYS QG . . 3.780 2.984 1.930 3.755 . 0 0 "[ . 1]" 1
7 1 2 LYS H 1 3 THR H . . 3.660 2.445 1.934 2.868 . 0 0 "[ . 1]" 1
8 1 2 LYS HA 1 3 THR H . . 3.560 3.540 3.511 3.569 0.009 1 0 "[ . 1]" 1
9 1 2 LYS QB 1 3 THR H . . 3.360 2.736 2.108 3.376 0.016 7 0 "[ . 1]" 1
10 1 3 THR H 1 3 THR HB . . 3.000 3.616 3.615 3.617 0.617 4 10 [***+***-**] 1
11 1 3 THR H 1 3 THR MG . . 2.850 2.236 2.207 2.260 . 0 0 "[ . 1]" 1
12 1 3 THR HA 1 3 THR MG . . 2.480 2.251 2.230 2.266 . 0 0 "[ . 1]" 1
13 1 3 THR HA 1 4 ASN H . . 2.980 3.572 3.571 3.572 0.592 9 10 [-*******+*] 1
14 1 3 THR HA 1 5 LEU H . . 4.100 4.158 4.149 4.164 0.064 4 0 "[ . 1]" 1
15 1 3 THR HA 1 6 GLU H . . 3.710 3.286 3.274 3.294 . 0 0 "[ . 1]" 1
16 1 3 THR HA 1 6 GLU QB . . 3.730 2.607 2.597 2.616 . 0 0 "[ . 1]" 1
17 1 3 THR HA 1 7 ILE H . . 4.070 4.170 4.166 4.172 0.102 2 0 "[ . 1]" 1
18 1 3 THR HB 1 3 THR MG . . 2.490 2.129 2.125 2.131 . 0 0 "[ . 1]" 1
19 1 3 THR HB 1 7 ILE MD . . 3.600 2.709 2.691 2.722 . 0 0 "[ . 1]" 1
20 1 3 THR MG 1 4 ASN H . . 3.780 3.796 3.791 3.805 0.025 1 0 "[ . 1]" 1
21 1 4 ASN H 1 4 ASN HB2 . . 3.440 2.458 2.291 2.713 . 0 0 "[ . 1]" 1
22 1 4 ASN H 1 4 ASN HB3 . . 3.680 3.587 3.554 3.601 . 0 0 "[ . 1]" 1
23 1 4 ASN HA 1 5 LEU H . . 3.120 3.523 3.522 3.523 0.403 10 0 "[ . 1]" 1
24 1 4 ASN HA 1 7 ILE H . . 3.760 3.871 3.866 3.875 0.115 4 0 "[ . 1]" 1
25 1 4 ASN HA 1 7 ILE HB . . 3.720 3.294 3.275 3.316 . 0 0 "[ . 1]" 1
26 1 4 ASN HA 1 7 ILE MD . . 3.000 2.488 2.470 2.511 . 0 0 "[ . 1]" 1
27 1 4 ASN HB2 1 5 LEU H . . 3.410 2.765 2.680 2.873 . 0 0 "[ . 1]" 1
28 1 5 LEU H 1 5 LEU QB . . 2.640 2.040 2.039 2.041 . 0 0 "[ . 1]" 1
29 1 5 LEU H 1 5 LEU HG . . 3.530 3.575 3.567 3.583 0.053 5 0 "[ . 1]" 1
30 1 5 LEU H 1 6 GLU H . . 3.050 2.599 2.586 2.607 . 0 0 "[ . 1]" 1
31 1 5 LEU HA 1 5 LEU MD1 . . 3.810 3.777 3.776 3.778 . 0 0 "[ . 1]" 1
32 1 5 LEU HA 1 5 LEU MD2 . . 2.750 1.945 1.941 1.949 . 0 0 "[ . 1]" 1
33 1 5 LEU HA 1 6 GLU H . . 3.520 3.552 3.549 3.553 0.033 5 0 "[ . 1]" 1
34 1 5 LEU HA 1 8 ILE H . . 3.430 3.465 3.458 3.476 0.046 1 0 "[ . 1]" 1
35 1 5 LEU HA 1 8 ILE HB . . 3.210 2.533 2.515 2.547 . 0 0 "[ . 1]" 1
36 1 5 LEU HA 1 8 ILE MD . . 2.910 2.170 2.094 2.308 . 0 0 "[ . 1]" 1
37 1 5 LEU HA 1 9 ILE H . . 3.690 3.786 3.762 3.800 0.110 10 0 "[ . 1]" 1
38 1 5 LEU QB 1 6 GLU H . . 2.950 2.594 2.584 2.612 . 0 0 "[ . 1]" 1
39 1 5 LEU MD2 1 8 ILE HB . . 2.690 2.774 2.771 2.779 0.089 1 0 "[ . 1]" 1
40 1 6 GLU H 1 6 GLU QB . . 2.880 2.442 2.437 2.449 . 0 0 "[ . 1]" 1
41 1 6 GLU H 1 6 GLU HG2 . . 3.200 2.335 2.331 2.338 . 0 0 "[ . 1]" 1
42 1 6 GLU H 1 6 GLU HG3 . . 4.280 3.788 3.786 3.790 . 0 0 "[ . 1]" 1
43 1 6 GLU H 1 7 ILE H . . 3.140 2.880 2.874 2.885 . 0 0 "[ . 1]" 1
44 1 6 GLU HA 1 6 GLU HG2 . . 3.890 3.224 3.208 3.246 . 0 0 "[ . 1]" 1
45 1 6 GLU HA 1 9 ILE H . . 4.210 3.888 3.867 3.922 . 0 0 "[ . 1]" 1
46 1 6 GLU HA 1 9 ILE HG13 . . 3.920 3.930 3.822 3.976 0.056 7 0 "[ . 1]" 1
47 1 6 GLU QB 1 7 ILE H . . 3.240 2.435 2.428 2.439 . 0 0 "[ . 1]" 1
48 1 6 GLU QB 2 10 LEU QD . . 4.000 3.819 3.811 3.828 . 0 0 "[ . 1]" 1
49 1 6 GLU HG3 2 7 ILE MD . . 3.500 3.623 3.610 3.643 0.143 1 0 "[ . 1]" 1
50 1 7 ILE H 1 7 ILE HA . . 3.040 2.821 2.820 2.823 . 0 0 "[ . 1]" 1
51 1 7 ILE H 1 7 ILE HB . . 2.710 2.429 2.428 2.431 . 0 0 "[ . 1]" 1
52 1 7 ILE H 1 7 ILE MD . . 2.970 2.184 2.176 2.192 . 0 0 "[ . 1]" 1
53 1 7 ILE H 1 7 ILE HG12 . . 3.930 3.953 3.951 3.955 0.025 6 0 "[ . 1]" 1
54 1 7 ILE H 1 7 ILE HG13 . . 2.960 3.039 3.035 3.044 0.084 1 0 "[ . 1]" 1
55 1 7 ILE HA 1 7 ILE HG12 . . 3.510 3.413 3.409 3.418 . 0 0 "[ . 1]" 1
56 1 7 ILE HA 1 7 ILE HG13 . . 3.450 2.234 2.232 2.238 . 0 0 "[ . 1]" 1
57 1 7 ILE HA 1 8 ILE H . . 3.490 3.559 3.558 3.560 0.070 5 0 "[ . 1]" 1
58 1 7 ILE HA 1 10 LEU HB2 . . 3.590 2.732 2.712 2.763 . 0 0 "[ . 1]" 1
59 1 7 ILE HA 1 10 LEU HB3 . . 4.770 4.257 4.229 4.291 . 0 0 "[ . 1]" 1
60 1 7 ILE MD 2 6 GLU HG3 . . 3.500 3.623 3.608 3.636 0.136 4 0 "[ . 1]" 1
61 1 8 ILE H 1 8 ILE HB . . 2.660 2.496 2.491 2.500 . 0 0 "[ . 1]" 1
62 1 8 ILE H 1 8 ILE HG12 . . 3.740 3.646 3.641 3.655 . 0 0 "[ . 1]" 1
63 1 8 ILE H 1 8 ILE HG13 . . 2.880 2.188 2.179 2.199 . 0 0 "[ . 1]" 1
64 1 8 ILE H 1 9 ILE H . . 3.120 2.871 2.857 2.891 . 0 0 "[ . 1]" 1
65 1 9 ILE H 1 9 ILE HA . . 3.080 2.774 2.770 2.779 . 0 0 "[ . 1]" 1
66 1 9 ILE H 1 9 ILE HB . . 2.820 2.540 2.495 2.562 . 0 0 "[ . 1]" 1
67 1 9 ILE HA 1 10 LEU H . . 3.410 3.563 3.562 3.564 0.154 8 0 "[ . 1]" 1
68 1 10 LEU H 1 10 LEU HB2 . . 2.750 2.224 2.222 2.227 . 0 0 "[ . 1]" 1
69 1 10 LEU H 1 10 LEU HB3 . . 3.890 3.519 3.518 3.521 . 0 0 "[ . 1]" 1
70 1 10 LEU H 1 10 LEU QD . . 3.450 1.980 1.973 1.986 . 0 0 "[ . 1]" 1
71 1 10 LEU H 1 10 LEU HG . . 3.460 3.661 3.655 3.664 0.204 7 0 "[ . 1]" 1
72 1 10 LEU H 1 11 VAL H . . 3.120 2.917 2.912 2.928 . 0 0 "[ . 1]" 1
73 1 10 LEU HA 1 10 LEU QD . . 2.830 1.983 1.978 1.985 . 0 0 "[ . 1]" 1
74 1 10 LEU HA 1 11 VAL H . . 3.590 3.558 3.557 3.559 . 0 0 "[ . 1]" 1
75 1 10 LEU HA 1 13 THR H . . 3.450 3.508 3.499 3.518 0.068 2 0 "[ . 1]" 1
76 1 10 LEU HA 1 13 THR HB . . 3.790 3.959 3.944 3.963 0.173 10 0 "[ . 1]" 1
77 1 10 LEU HB2 1 11 VAL H . . 3.180 2.658 2.650 2.666 . 0 0 "[ . 1]" 1
78 1 10 LEU HB3 1 11 VAL H . . 3.300 3.087 3.066 3.095 . 0 0 "[ . 1]" 1
79 1 10 LEU QD 2 6 GLU QB . . 4.000 3.823 3.814 3.836 . 0 0 "[ . 1]" 1
80 1 10 LEU QD 2 13 THR MG . . 3.000 2.975 2.963 2.984 . 0 0 "[ . 1]" 1
81 1 11 VAL H 1 11 VAL HA . . 3.070 2.780 2.776 2.782 . 0 0 "[ . 1]" 1
82 1 11 VAL H 1 11 VAL HB . . 2.890 2.482 2.479 2.488 . 0 0 "[ . 1]" 1
83 1 11 VAL H 1 11 VAL MG1 . . 3.950 3.756 3.756 3.758 . 0 0 "[ . 1]" 1
84 1 11 VAL H 1 11 VAL MG2 . . 2.680 2.300 2.188 2.386 . 0 0 "[ . 1]" 1
85 1 11 VAL H 1 12 GLY H . . 3.050 2.839 2.832 2.849 . 0 0 "[ . 1]" 1
86 1 11 VAL HA 1 14 ALA H . . 3.530 3.628 3.618 3.639 0.109 2 0 "[ . 1]" 1
87 1 11 VAL HA 1 14 ALA MB . . 3.730 2.754 2.749 2.759 . 0 0 "[ . 1]" 1
88 1 11 VAL HB 1 12 GLY H . . 2.970 2.467 2.454 2.476 . 0 0 "[ . 1]" 1
89 1 11 VAL MG1 1 12 GLY H . . 3.060 3.128 3.118 3.132 0.072 8 0 "[ . 1]" 1
90 1 11 VAL MG1 1 14 ALA MB . . 3.810 3.835 3.831 3.839 0.029 1 0 "[ . 1]" 1
91 1 12 GLY H 1 12 GLY QA . . 2.510 2.202 2.201 2.203 . 0 0 "[ . 1]" 1
92 1 12 GLY H 1 13 THR H . . 3.140 2.661 2.654 2.673 . 0 0 "[ . 1]" 1
93 1 12 GLY QA 1 13 THR H . . 3.060 2.737 2.726 2.743 . 0 0 "[ . 1]" 1
94 1 12 GLY QA 1 15 VAL MG2 . . 3.620 3.125 3.033 3.245 . 0 0 "[ . 1]" 1
95 1 13 THR H 1 13 THR HB . . 3.800 3.503 3.496 3.505 . 0 0 "[ . 1]" 1
96 1 13 THR H 1 13 THR HG1 . . 3.160 2.258 2.097 2.356 . 0 0 "[ . 1]" 1
97 1 13 THR H 1 13 THR MG . . 3.050 2.945 2.937 2.969 . 0 0 "[ . 1]" 1
98 1 13 THR H 1 14 ALA H . . 3.060 2.555 2.545 2.571 . 0 0 "[ . 1]" 1
99 1 13 THR HA 1 13 THR MG . . 3.210 2.134 2.130 2.137 . 0 0 "[ . 1]" 1
100 1 13 THR HA 1 16 ILE MG . . 4.000 4.043 4.025 4.062 0.062 2 0 "[ . 1]" 1
101 1 13 THR HB 1 14 ALA H . . 3.330 3.375 3.368 3.380 0.050 2 0 "[ . 1]" 1
102 1 13 THR MG 2 10 LEU QD . . 3.000 2.976 2.960 2.986 . 0 0 "[ . 1]" 1
103 1 14 ALA H 1 14 ALA MB . . 2.720 2.220 2.219 2.221 . 0 0 "[ . 1]" 1
104 1 14 ALA H 1 15 VAL H . . 3.060 2.711 2.702 2.721 . 0 0 "[ . 1]" 1
105 1 14 ALA HA 1 15 VAL H . . 3.620 3.556 3.553 3.560 . 0 0 "[ . 1]" 1
106 1 14 ALA HA 1 17 ALA H . . 3.700 3.664 3.641 3.708 0.008 9 0 "[ . 1]" 1
107 1 14 ALA HA 1 17 ALA MB . . 3.790 2.806 2.655 2.886 . 0 0 "[ . 1]" 1
108 1 14 ALA MB 1 15 VAL H . . 3.180 2.448 2.419 2.472 . 0 0 "[ . 1]" 1
109 1 15 VAL H 1 15 VAL HA . . 3.100 2.808 2.804 2.811 . 0 0 "[ . 1]" 1
110 1 15 VAL H 1 15 VAL HB . . 2.930 2.551 2.543 2.556 . 0 0 "[ . 1]" 1
111 1 15 VAL H 1 15 VAL MG1 . . 3.950 3.764 3.763 3.765 . 0 0 "[ . 1]" 1
112 1 15 VAL H 1 15 VAL MG2 . . 2.830 2.172 2.005 2.288 . 0 0 "[ . 1]" 1
113 1 15 VAL HA 1 15 VAL MG1 . . 2.790 2.378 2.325 2.397 . 0 0 "[ . 1]" 1
114 1 15 VAL HA 1 15 VAL MG2 . . 2.690 2.370 2.293 2.433 . 0 0 "[ . 1]" 1
115 1 15 VAL HA 1 18 MET H . . 3.460 3.510 3.491 3.527 0.067 9 0 "[ . 1]" 1
116 1 15 VAL HB 1 16 ILE H . . 3.080 2.434 2.389 2.468 . 0 0 "[ . 1]" 1
117 1 15 VAL MG1 1 19 PHE QB . . 3.690 3.622 3.536 3.686 . 0 0 "[ . 1]" 1
118 1 15 VAL MG1 1 19 PHE QD . . 3.460 3.164 2.890 3.416 . 0 0 "[ . 1]" 1
119 1 16 ILE H 1 16 ILE HA . . 3.010 2.788 2.779 2.795 . 0 0 "[ . 1]" 1
120 1 16 ILE H 1 16 ILE HB . . 2.860 2.442 2.434 2.451 . 0 0 "[ . 1]" 1
121 1 16 ILE H 1 16 ILE HG12 . . 2.970 2.283 2.265 2.300 . 0 0 "[ . 1]" 1
122 1 16 ILE H 1 17 ALA H . . 3.070 2.744 2.724 2.779 . 0 0 "[ . 1]" 1
123 1 16 ILE HA 1 16 ILE MD . . 3.760 1.979 1.960 2.005 . 0 0 "[ . 1]" 1
124 1 16 ILE HA 1 16 ILE HG12 . . 3.820 2.917 2.906 2.927 . 0 0 "[ . 1]" 1
125 1 16 ILE HA 1 16 ILE HG13 . . 3.500 3.664 3.661 3.667 0.167 1 0 "[ . 1]" 1
126 1 16 ILE HA 1 17 ALA H . . 3.790 3.536 3.528 3.542 . 0 0 "[ . 1]" 1
127 1 16 ILE HA 1 19 PHE H . . 3.510 3.507 3.463 3.542 0.032 2 0 "[ . 1]" 1
128 1 16 ILE HA 1 19 PHE QB . . 3.840 2.752 2.667 2.835 . 0 0 "[ . 1]" 1
129 1 16 ILE MG 1 17 ALA H . . 3.350 3.318 3.270 3.359 0.009 4 0 "[ . 1]" 1
130 1 16 ILE MG 1 20 PHE QD . . 3.580 2.526 2.421 2.653 . 0 0 "[ . 1]" 1
131 1 16 ILE MG 2 17 ALA MB . . 3.500 3.500 3.489 3.509 0.009 2 0 "[ . 1]" 1
132 1 17 ALA H 1 17 ALA MB . . 2.790 2.118 2.028 2.231 . 0 0 "[ . 1]" 1
133 1 17 ALA HA 1 20 PHE HB2 . . 4.180 2.946 2.859 3.044 . 0 0 "[ . 1]" 1
134 1 17 ALA MB 1 18 MET H . . 3.120 2.579 2.485 2.664 . 0 0 "[ . 1]" 1
135 1 17 ALA MB 2 16 ILE MG . . 3.500 3.499 3.484 3.508 0.008 10 0 "[ . 1]" 1
136 1 18 MET H 1 18 MET HB3 . . 4.200 2.916 2.439 3.560 . 0 0 "[ . 1]" 1
137 1 18 MET HB3 1 19 PHE H . . 4.150 2.911 2.512 3.581 . 0 0 "[ . 1]" 1
138 1 19 PHE H 1 19 PHE HA . . 3.000 2.814 2.792 2.823 . 0 0 "[ . 1]" 1
139 1 19 PHE H 1 19 PHE QB . . 2.680 2.073 2.045 2.119 . 0 0 "[ . 1]" 1
140 1 19 PHE HA 1 20 PHE H . . 3.750 3.566 3.563 3.569 . 0 0 "[ . 1]" 1
141 1 19 PHE HA 1 22 LEU H . . 3.550 3.651 3.627 3.697 0.147 8 0 "[ . 1]" 1
142 1 19 PHE HA 1 22 LEU HB2 . . 3.650 3.115 2.987 3.606 . 0 0 "[ . 1]" 1
143 1 19 PHE HA 1 23 LEU H . . 3.800 3.860 3.816 3.924 0.124 8 0 "[ . 1]" 1
144 1 20 PHE H 1 20 PHE HA . . 3.020 2.761 2.756 2.768 . 0 0 "[ . 1]" 1
145 1 20 PHE H 1 20 PHE HB2 . . 2.710 2.350 2.302 2.402 . 0 0 "[ . 1]" 1
146 1 20 PHE H 1 20 PHE HB3 . . 3.770 3.568 3.555 3.580 . 0 0 "[ . 1]" 1
147 1 20 PHE HA 1 23 LEU H . . 3.600 3.703 3.656 3.735 0.135 3 0 "[ . 1]" 1
148 1 20 PHE HA 1 23 LEU QB . . 3.370 2.534 2.418 2.602 . 0 0 "[ . 1]" 1
149 1 20 PHE HA 1 23 LEU QD . . 3.130 2.241 2.194 2.414 . 0 0 "[ . 1]" 1
150 1 20 PHE HB3 1 23 LEU QD . . 3.540 3.576 3.517 3.667 0.127 8 0 "[ . 1]" 1
151 1 20 PHE QR 2 23 LEU QD . . 4.000 4.870 4.431 5.558 1.558 8 9 "[* **-**+**]" 1
152 1 20 PHE QD 1 23 LEU QD . . 3.190 2.168 1.940 2.399 . 0 0 "[ . 1]" 1
153 1 21 TRP H 1 21 TRP HA . . 3.070 2.798 2.772 2.803 . 0 0 "[ . 1]" 1
154 1 21 TRP H 1 21 TRP HB2 . . 2.920 2.232 2.159 2.313 . 0 0 "[ . 1]" 1
155 1 21 TRP H 1 21 TRP HB3 . . 2.940 2.878 2.769 2.989 0.049 2 0 "[ . 1]" 1
156 1 21 TRP H 1 22 LEU H . . 2.930 2.854 2.831 2.896 . 0 0 "[ . 1]" 1
157 1 21 TRP HA 1 22 LEU H . . 3.720 3.569 3.567 3.571 . 0 0 "[ . 1]" 1
158 1 21 TRP HA 1 24 LEU H . . 3.670 3.738 3.711 3.759 0.089 8 0 "[ . 1]" 1
159 1 21 TRP HA 1 24 LEU QB . . 4.160 2.908 2.809 3.079 . 0 0 "[ . 1]" 1
160 1 21 TRP HA 1 24 LEU QD . . 3.660 3.370 3.226 3.584 . 0 0 "[ . 1]" 1
161 1 21 TRP HB2 1 22 LEU H . . 3.390 3.438 3.383 3.500 0.110 8 0 "[ . 1]" 1
162 1 21 TRP HE3 1 24 LEU QD . . 3.620 3.260 3.112 3.449 . 0 0 "[ . 1]" 1
163 1 21 TRP HZ3 1 24 LEU QD . . 3.200 3.101 3.031 3.169 . 0 0 "[ . 1]" 1
164 1 22 LEU H 1 22 LEU HA . . 3.100 2.804 2.798 2.811 . 0 0 "[ . 1]" 1
165 1 22 LEU HA 1 25 VAL HB . . 3.880 2.945 2.779 3.046 . 0 0 "[ . 1]" 1
166 1 23 LEU H 1 23 LEU HA . . 2.930 2.785 2.778 2.790 . 0 0 "[ . 1]" 1
167 1 23 LEU HA 1 26 ILE H . . 3.540 3.591 3.573 3.624 0.084 8 0 "[ . 1]" 1
168 1 23 LEU HA 1 26 ILE HB . . 3.290 3.158 3.083 3.307 0.017 8 0 "[ . 1]" 1
169 1 23 LEU QD 2 20 PHE QR . . 4.000 4.872 4.455 5.563 1.563 8 9 "[- *****+**]" 1
170 1 23 LEU HG 1 27 ILE MD . . 2.720 2.085 1.909 2.374 . 0 0 "[ . 1]" 1
171 1 24 LEU H 1 24 LEU HA . . 2.960 2.806 2.801 2.810 . 0 0 "[ . 1]" 1
172 1 24 LEU HA 1 27 ILE H . . 3.620 3.600 3.528 3.647 0.027 3 0 "[ . 1]" 1
173 1 24 LEU HA 1 27 ILE HB . . 3.700 2.857 2.789 2.939 . 0 0 "[ . 1]" 1
174 1 24 LEU HA 1 27 ILE MD . . 2.750 2.254 2.013 2.546 . 0 0 "[ . 1]" 1
175 1 24 LEU HA 1 28 LEU HG . . 3.890 4.002 3.969 4.042 0.152 6 0 "[ . 1]" 1
176 1 24 LEU HA 2 24 LEU QD . . 3.500 3.383 3.080 3.525 0.025 4 0 "[ . 1]" 1
177 1 24 LEU HA 2 27 ILE MD . . 3.800 3.912 3.836 3.949 0.149 7 0 "[ . 1]" 1
178 1 24 LEU QD 2 24 LEU HA . . 3.500 3.381 3.076 3.527 0.027 4 0 "[ . 1]" 1
179 1 25 VAL H 1 25 VAL HA . . 3.130 2.808 2.796 2.813 . 0 0 "[ . 1]" 1
180 1 25 VAL H 1 25 VAL HB . . 2.960 2.486 2.469 2.511 . 0 0 "[ . 1]" 1
181 1 25 VAL HA 1 25 VAL MG2 . . 3.320 2.350 2.275 2.387 . 0 0 "[ . 1]" 1
182 1 25 VAL HA 1 26 ILE H . . 3.510 3.559 3.556 3.562 0.052 7 0 "[ . 1]" 1
183 1 25 VAL HA 1 28 LEU H . . 3.530 3.594 3.586 3.600 0.070 8 0 "[ . 1]" 1
184 1 25 VAL HA 1 28 LEU HB2 . . 3.780 3.015 2.936 3.106 . 0 0 "[ . 1]" 1
185 1 25 VAL HA 1 28 LEU MD1 . . 3.220 2.378 2.103 2.676 . 0 0 "[ . 1]" 1
186 1 25 VAL HB 1 26 ILE H . . 3.140 2.445 2.404 2.478 . 0 0 "[ . 1]" 1
187 1 25 VAL MG1 1 26 ILE H . . 3.410 3.173 3.151 3.202 . 0 0 "[ . 1]" 1
188 1 25 VAL MG1 1 29 ARG HD3 . . 3.440 3.532 3.524 3.538 0.098 10 0 "[ . 1]" 1
189 1 26 ILE H 1 26 ILE HA . . 2.970 2.788 2.781 2.797 . 0 0 "[ . 1]" 1
190 1 26 ILE H 1 26 ILE HB . . 2.650 2.637 2.634 2.642 . 0 0 "[ . 1]" 1
191 1 26 ILE H 1 26 ILE HG12 . . 3.070 3.131 3.123 3.145 0.075 4 0 "[ . 1]" 1
192 1 26 ILE H 1 26 ILE HG13 . . 2.780 1.936 1.929 1.944 . 0 0 "[ . 1]" 1
193 1 26 ILE H 1 27 ILE H . . 3.040 2.760 2.730 2.785 . 0 0 "[ . 1]" 1
194 1 26 ILE HA 1 26 ILE HG12 . . 3.160 2.556 2.551 2.560 . 0 0 "[ . 1]" 1
195 1 26 ILE HA 1 26 ILE HG13 . . 3.180 3.117 3.104 3.130 . 0 0 "[ . 1]" 1
196 1 26 ILE HA 1 29 ARG H . . 3.550 3.424 3.402 3.440 . 0 0 "[ . 1]" 1
197 1 26 ILE HA 1 29 ARG QB . . 3.340 2.387 2.290 2.478 . 0 0 "[ . 1]" 1
198 1 26 ILE MG 1 29 ARG HD2 . . 3.490 3.627 3.618 3.641 0.151 5 0 "[ . 1]" 1
199 1 27 ILE H 1 27 ILE HA . . 2.990 2.804 2.799 2.810 . 0 0 "[ . 1]" 1
200 1 27 ILE H 1 27 ILE HB . . 2.620 2.508 2.464 2.541 . 0 0 "[ . 1]" 1
201 1 27 ILE H 1 27 ILE HG12 . . 3.780 3.571 3.493 3.625 . 0 0 "[ . 1]" 1
202 1 27 ILE H 1 27 ILE HG13 . . 2.810 2.148 2.088 2.228 . 0 0 "[ . 1]" 1
203 1 27 ILE HA 1 27 ILE HG12 . . 3.320 2.660 2.563 2.739 . 0 0 "[ . 1]" 1
204 1 27 ILE HA 1 27 ILE HG13 . . 3.480 2.792 2.728 2.895 . 0 0 "[ . 1]" 1
205 1 27 ILE HA 1 28 LEU H . . 3.430 3.554 3.549 3.558 0.128 1 0 "[ . 1]" 1
206 1 27 ILE HA 1 30 THR H . . 4.480 3.739 3.623 3.849 . 0 0 "[ . 1]" 1
207 1 27 ILE HA 1 30 THR HB . . 3.690 3.506 3.280 3.690 0.000 7 0 "[ . 1]" 1
208 1 27 ILE MD 2 24 LEU HA . . 3.800 3.914 3.840 3.953 0.153 7 0 "[ . 1]" 1
209 1 27 ILE MG 1 28 LEU HA . . 3.550 3.375 3.312 3.424 . 0 0 "[ . 1]" 1
210 1 28 LEU H 1 28 LEU HA . . 2.990 2.833 2.826 2.838 . 0 0 "[ . 1]" 1
211 1 28 LEU H 1 28 LEU HB2 . . 2.570 2.544 2.522 2.577 0.007 6 0 "[ . 1]" 1
212 1 28 LEU H 1 28 LEU HB3 . . 3.710 3.591 3.589 3.592 . 0 0 "[ . 1]" 1
213 1 28 LEU H 1 28 LEU MD1 . . 3.400 3.210 3.110 3.335 . 0 0 "[ . 1]" 1
214 1 28 LEU H 1 28 LEU MD2 . . 3.820 3.586 3.502 3.663 . 0 0 "[ . 1]" 1
215 1 28 LEU H 1 28 LEU HG . . 3.310 2.166 2.097 2.218 . 0 0 "[ . 1]" 1
216 1 28 LEU H 1 29 ARG H . . 3.230 2.554 2.536 2.577 . 0 0 "[ . 1]" 1
217 1 28 LEU HA 1 28 LEU HB2 . . 3.120 3.014 3.013 3.015 . 0 0 "[ . 1]" 1
218 1 28 LEU HA 1 28 LEU MD1 . . 3.930 3.947 3.941 3.959 0.029 6 0 "[ . 1]" 1
219 1 28 LEU HA 1 28 LEU MD2 . . 2.510 2.364 2.256 2.499 . 0 0 "[ . 1]" 1
220 1 28 LEU HA 1 31 VAL HB . . 3.470 2.491 2.383 2.590 . 0 0 "[ . 1]" 1
221 1 29 ARG H 1 29 ARG HA . . 3.010 2.838 2.828 2.850 . 0 0 "[ . 1]" 1
222 1 29 ARG H 1 29 ARG QB . . 2.640 2.241 2.227 2.269 . 0 0 "[ . 1]" 1
223 1 29 ARG H 1 29 ARG HG3 . . 3.060 2.709 2.630 2.768 . 0 0 "[ . 1]" 1
224 1 29 ARG H 1 30 THR H . . 3.200 2.695 2.640 2.760 . 0 0 "[ . 1]" 1
225 1 29 ARG HA 1 29 ARG HG3 . . 3.340 2.721 2.703 2.734 . 0 0 "[ . 1]" 1
226 1 29 ARG HA 1 32 LYS H . . 3.520 3.586 3.573 3.609 0.089 4 0 "[ . 1]" 1
227 1 29 ARG HA 1 32 LYS QB . . 4.390 2.991 2.774 3.899 . 0 0 "[ . 1]" 1
228 1 29 ARG QB 1 30 THR H . . 3.710 2.417 2.363 2.497 . 0 0 "[ . 1]" 1
229 1 30 THR H 1 30 THR HB . . 3.780 2.107 2.105 2.110 . 0 0 "[ . 1]" 1
230 1 30 THR H 1 30 THR MG . . 3.150 3.246 3.231 3.259 0.109 3 0 "[ . 1]" 1
231 1 30 THR H 1 31 VAL H . . 3.000 2.607 2.583 2.620 . 0 0 "[ . 1]" 1
232 1 30 THR HA 1 30 THR MG . . 3.320 2.952 2.946 2.961 . 0 0 "[ . 1]" 1
233 1 30 THR HA 1 31 VAL H . . 3.270 3.507 3.504 3.508 0.238 7 0 "[ . 1]" 1
234 1 30 THR HA 1 33 ARG H . . 3.920 3.463 3.350 3.525 . 0 0 "[ . 1]" 1
235 1 30 THR HA 1 33 ARG HB2 . . 3.490 2.478 2.293 2.538 . 0 0 "[ . 1]" 1
236 1 30 THR HA 1 33 ARG HG3 . . 3.590 3.617 3.604 3.625 0.035 2 0 "[ . 1]" 1
237 1 30 THR HA 1 34 ALA H . . 4.600 4.564 4.346 4.608 0.008 5 0 "[ . 1]" 1
238 1 30 THR HB 1 31 VAL H . . 3.220 3.315 3.303 3.333 0.113 6 0 "[ . 1]" 1
239 1 30 THR MG 1 31 VAL H . . 3.240 2.424 2.413 2.437 . 0 0 "[ . 1]" 1
240 1 31 VAL H 1 31 VAL HA . . 3.120 2.852 2.837 2.861 . 0 0 "[ . 1]" 1
241 1 31 VAL H 1 31 VAL HB . . 2.900 2.463 2.438 2.489 . 0 0 "[ . 1]" 1
242 1 31 VAL H 1 32 LYS H . . 3.060 2.533 2.503 2.594 . 0 0 "[ . 1]" 1
243 1 31 VAL HA 1 32 LYS H . . 3.440 3.526 3.517 3.532 0.092 4 0 "[ . 1]" 1
244 1 31 VAL HA 1 33 ARG H . . 4.450 4.093 4.031 4.167 . 0 0 "[ . 1]" 1
245 1 31 VAL HA 1 34 ALA H . . 4.300 3.610 3.586 3.677 . 0 0 "[ . 1]" 1
246 1 31 VAL HA 1 34 ALA MB . . 3.000 3.029 3.015 3.042 0.042 7 0 "[ . 1]" 1
247 1 31 VAL HB 1 32 LYS H . . 3.280 2.692 2.654 2.753 . 0 0 "[ . 1]" 1
248 1 31 VAL MG1 1 32 LYS H . . 3.390 3.421 3.412 3.428 0.038 6 0 "[ . 1]" 1
249 1 31 VAL MG1 1 35 ASN HD21 . . 4.250 4.086 3.325 4.251 0.001 2 0 "[ . 1]" 1
250 1 32 LYS H 1 32 LYS HA . . 3.120 2.858 2.853 2.872 . 0 0 "[ . 1]" 1
251 1 32 LYS H 1 33 ARG H . . 3.150 2.473 2.425 2.491 . 0 0 "[ . 1]" 1
252 1 32 LYS HA 1 33 ARG H . . 3.450 3.457 3.445 3.468 0.018 10 0 "[ . 1]" 1
253 1 32 LYS HA 1 35 ASN HB3 . . 4.050 3.726 3.295 4.051 0.001 4 0 "[ . 1]" 1
254 1 33 ARG H 1 33 ARG QB . . 2.810 2.075 2.067 2.082 . 0 0 "[ . 1]" 1
255 1 33 ARG H 1 33 ARG HB3 . . 3.230 3.369 3.358 3.383 0.153 7 0 "[ . 1]" 1
256 1 33 ARG H 1 33 ARG HG2 . . 3.370 3.403 3.398 3.412 0.042 6 0 "[ . 1]" 1
257 1 33 ARG H 1 34 ALA H . . 3.500 2.531 2.503 2.550 . 0 0 "[ . 1]" 1
258 1 33 ARG HA 1 33 ARG QD . . 3.160 2.441 2.350 2.506 . 0 0 "[ . 1]" 1
259 1 33 ARG HA 1 37 GLY H . . 4.970 3.952 3.098 4.751 . 0 0 "[ . 1]" 1
260 1 33 ARG HB2 1 34 ALA H . . 3.690 3.108 3.055 3.183 . 0 0 "[ . 1]" 1
261 1 33 ARG HB3 1 34 ALA H . . 3.860 3.237 3.177 3.295 . 0 0 "[ . 1]" 1
262 1 34 ALA H 1 34 ALA MB . . 2.570 2.058 2.031 2.097 . 0 0 "[ . 1]" 1
263 1 34 ALA HA 1 34 ALA MB . . 2.400 2.089 2.083 2.098 . 0 0 "[ . 1]" 1
264 1 34 ALA HA 1 35 ASN H . . 3.510 3.515 3.500 3.523 0.013 1 0 "[ . 1]" 1
265 1 34 ALA HA 1 36 GLY H . . 4.090 3.991 3.812 4.092 0.002 8 0 "[ . 1]" 1
266 1 34 ALA MB 1 35 ASN H . . 2.970 2.794 2.740 2.856 . 0 0 "[ . 1]" 1
267 1 34 ALA MB 1 37 GLY H . . 5.500 5.030 4.520 5.466 . 0 0 "[ . 1]" 1
268 1 35 ASN H 1 35 ASN HB2 . . 3.340 2.180 2.121 2.290 . 0 0 "[ . 1]" 1
269 1 35 ASN H 1 35 ASN HB3 . . 3.610 3.014 2.801 3.464 . 0 0 "[ . 1]" 1
270 1 35 ASN HA 1 36 GLY H . . 3.610 3.494 3.471 3.516 . 0 0 "[ . 1]" 1
271 1 35 ASN HB2 1 36 GLY H . . 4.950 3.624 3.155 3.842 . 0 0 "[ . 1]" 1
272 1 36 GLY QA 1 37 GLY H . . 3.710 2.566 2.392 2.747 . 0 0 "[ . 1]" 1
273 2 1 GLU H1 2 1 GLU HA . . 3.400 2.815 2.662 2.943 . 0 0 "[ . 1]" 1
274 2 1 GLU H1 2 1 GLU HB2 . . 3.300 2.409 2.124 2.647 . 0 0 "[ . 1]" 1
275 2 1 GLU H1 2 1 GLU QG . . 3.520 2.623 2.154 3.501 . 0 0 "[ . 1]" 1
276 2 1 GLU HA 2 2 LYS H . . 2.940 2.588 2.204 2.918 . 0 0 "[ . 1]" 1
277 2 2 LYS H 2 2 LYS QB . . 3.060 2.428 2.112 3.061 0.001 5 0 "[ . 1]" 1
278 2 2 LYS H 2 2 LYS QG . . 3.780 2.977 1.930 3.756 . 0 0 "[ . 1]" 1
279 2 2 LYS H 2 3 THR H . . 3.660 2.454 1.942 2.883 . 0 0 "[ . 1]" 1
280 2 2 LYS HA 2 3 THR H . . 3.560 3.539 3.506 3.570 0.010 1 0 "[ . 1]" 1
281 2 2 LYS QB 2 3 THR H . . 3.360 2.737 2.106 3.376 0.016 7 0 "[ . 1]" 1
282 2 3 THR H 2 3 THR HB . . 3.000 3.616 3.614 3.617 0.617 6 10 [*****+***-] 1
283 2 3 THR H 2 3 THR MG . . 2.850 2.236 2.206 2.276 . 0 0 "[ . 1]" 1
284 2 3 THR HA 2 3 THR MG . . 2.480 2.251 2.228 2.266 . 0 0 "[ . 1]" 1
285 2 3 THR HA 2 4 ASN H . . 2.980 3.572 3.571 3.573 0.593 10 10 [*****-***+] 1
286 2 3 THR HA 2 5 LEU H . . 4.100 4.159 4.153 4.164 0.064 4 0 "[ . 1]" 1
287 2 3 THR HA 2 6 GLU H . . 3.710 3.287 3.276 3.293 . 0 0 "[ . 1]" 1
288 2 3 THR HA 2 6 GLU QB . . 3.730 2.606 2.594 2.614 . 0 0 "[ . 1]" 1
289 2 3 THR HA 2 7 ILE H . . 4.070 4.169 4.164 4.174 0.104 2 0 "[ . 1]" 1
290 2 3 THR HB 2 3 THR MG . . 2.490 2.129 2.124 2.131 . 0 0 "[ . 1]" 1
291 2 3 THR HB 2 7 ILE MD . . 3.600 2.710 2.697 2.723 . 0 0 "[ . 1]" 1
292 2 3 THR MG 2 4 ASN H . . 3.780 3.795 3.791 3.801 0.021 2 0 "[ . 1]" 1
293 2 4 ASN H 2 4 ASN HB2 . . 3.440 2.456 2.292 2.713 . 0 0 "[ . 1]" 1
294 2 4 ASN H 2 4 ASN HB3 . . 3.680 3.586 3.554 3.601 . 0 0 "[ . 1]" 1
295 2 4 ASN HA 2 5 LEU H . . 3.120 3.523 3.522 3.524 0.404 2 0 "[ . 1]" 1
296 2 4 ASN HA 2 7 ILE H . . 3.760 3.871 3.868 3.877 0.117 4 0 "[ . 1]" 1
297 2 4 ASN HA 2 7 ILE HB . . 3.720 3.294 3.280 3.317 . 0 0 "[ . 1]" 1
298 2 4 ASN HA 2 7 ILE MD . . 3.000 2.488 2.472 2.512 . 0 0 "[ . 1]" 1
299 2 4 ASN HB2 2 5 LEU H . . 3.410 2.765 2.675 2.873 . 0 0 "[ . 1]" 1
300 2 5 LEU H 2 5 LEU QB . . 2.640 2.040 2.038 2.042 . 0 0 "[ . 1]" 1
301 2 5 LEU H 2 5 LEU HG . . 3.530 3.576 3.570 3.580 0.050 5 0 "[ . 1]" 1
302 2 5 LEU H 2 6 GLU H . . 3.050 2.599 2.585 2.608 . 0 0 "[ . 1]" 1
303 2 5 LEU HA 2 5 LEU MD1 . . 3.810 3.777 3.777 3.778 . 0 0 "[ . 1]" 1
304 2 5 LEU HA 2 5 LEU MD2 . . 2.750 1.945 1.942 1.949 . 0 0 "[ . 1]" 1
305 2 5 LEU HA 2 6 GLU H . . 3.520 3.551 3.548 3.553 0.033 2 0 "[ . 1]" 1
306 2 5 LEU HA 2 8 ILE H . . 3.430 3.465 3.459 3.471 0.041 1 0 "[ . 1]" 1
307 2 5 LEU HA 2 8 ILE HB . . 3.210 2.533 2.516 2.553 . 0 0 "[ . 1]" 1
308 2 5 LEU HA 2 8 ILE MD . . 2.910 2.171 2.097 2.297 . 0 0 "[ . 1]" 1
309 2 5 LEU HA 2 9 ILE H . . 3.690 3.787 3.765 3.799 0.109 10 0 "[ . 1]" 1
310 2 5 LEU QB 2 6 GLU H . . 2.950 2.594 2.585 2.612 . 0 0 "[ . 1]" 1
311 2 5 LEU MD2 2 8 ILE HB . . 2.690 2.774 2.771 2.778 0.088 7 0 "[ . 1]" 1
312 2 6 GLU H 2 6 GLU QB . . 2.880 2.441 2.436 2.445 . 0 0 "[ . 1]" 1
313 2 6 GLU H 2 6 GLU HG2 . . 3.200 2.336 2.330 2.341 . 0 0 "[ . 1]" 1
314 2 6 GLU H 2 6 GLU HG3 . . 4.280 3.789 3.784 3.792 . 0 0 "[ . 1]" 1
315 2 6 GLU H 2 7 ILE H . . 3.140 2.881 2.874 2.885 . 0 0 "[ . 1]" 1
316 2 6 GLU HA 2 6 GLU HG2 . . 3.890 3.223 3.207 3.238 . 0 0 "[ . 1]" 1
317 2 6 GLU HA 2 9 ILE H . . 4.210 3.886 3.874 3.908 . 0 0 "[ . 1]" 1
318 2 6 GLU HA 2 9 ILE HG13 . . 3.920 3.930 3.822 3.975 0.055 7 0 "[ . 1]" 1
319 2 6 GLU QB 2 7 ILE H . . 3.240 2.435 2.425 2.440 . 0 0 "[ . 1]" 1
320 2 7 ILE H 2 7 ILE HA . . 3.040 2.822 2.820 2.824 . 0 0 "[ . 1]" 1
321 2 7 ILE H 2 7 ILE HB . . 2.710 2.430 2.428 2.432 . 0 0 "[ . 1]" 1
322 2 7 ILE H 2 7 ILE MD . . 2.970 2.183 2.176 2.192 . 0 0 "[ . 1]" 1
323 2 7 ILE H 2 7 ILE HG12 . . 3.930 3.953 3.950 3.956 0.026 5 0 "[ . 1]" 1
324 2 7 ILE H 2 7 ILE HG13 . . 2.960 3.039 3.035 3.044 0.084 9 0 "[ . 1]" 1
325 2 7 ILE HA 2 7 ILE HG12 . . 3.510 3.413 3.409 3.418 . 0 0 "[ . 1]" 1
326 2 7 ILE HA 2 7 ILE HG13 . . 3.450 2.234 2.231 2.237 . 0 0 "[ . 1]" 1
327 2 7 ILE HA 2 8 ILE H . . 3.490 3.559 3.558 3.560 0.070 3 0 "[ . 1]" 1
328 2 7 ILE HA 2 10 LEU HB2 . . 3.590 2.733 2.716 2.758 . 0 0 "[ . 1]" 1
329 2 7 ILE HA 2 10 LEU HB3 . . 4.770 4.258 4.236 4.284 . 0 0 "[ . 1]" 1
330 2 8 ILE H 2 8 ILE HB . . 2.660 2.496 2.491 2.504 . 0 0 "[ . 1]" 1
331 2 8 ILE H 2 8 ILE HG12 . . 3.740 3.646 3.638 3.655 . 0 0 "[ . 1]" 1
332 2 8 ILE H 2 8 ILE HG13 . . 2.880 2.188 2.174 2.198 . 0 0 "[ . 1]" 1
333 2 8 ILE H 2 9 ILE H . . 3.120 2.870 2.863 2.882 . 0 0 "[ . 1]" 1
334 2 9 ILE H 2 9 ILE HA . . 3.080 2.775 2.773 2.778 . 0 0 "[ . 1]" 1
335 2 9 ILE H 2 9 ILE HB . . 2.820 2.539 2.486 2.562 . 0 0 "[ . 1]" 1
336 2 9 ILE HA 2 10 LEU H . . 3.410 3.564 3.562 3.564 0.154 2 0 "[ . 1]" 1
337 2 10 LEU H 2 10 LEU HB2 . . 2.750 2.224 2.221 2.226 . 0 0 "[ . 1]" 1
338 2 10 LEU H 2 10 LEU HB3 . . 3.890 3.519 3.518 3.521 . 0 0 "[ . 1]" 1
339 2 10 LEU H 2 10 LEU QD . . 3.450 1.980 1.970 1.985 . 0 0 "[ . 1]" 1
340 2 10 LEU H 2 10 LEU HG . . 3.460 3.663 3.653 3.670 0.210 1 0 "[ . 1]" 1
341 2 10 LEU H 2 11 VAL H . . 3.120 2.916 2.913 2.921 . 0 0 "[ . 1]" 1
342 2 10 LEU HA 2 10 LEU QD . . 2.830 1.984 1.977 1.988 . 0 0 "[ . 1]" 1
343 2 10 LEU HA 2 11 VAL H . . 3.590 3.557 3.557 3.559 . 0 0 "[ . 1]" 1
344 2 10 LEU HA 2 13 THR H . . 3.450 3.509 3.501 3.516 0.066 2 0 "[ . 1]" 1
345 2 10 LEU HA 2 13 THR HB . . 3.790 3.959 3.949 3.963 0.173 9 0 "[ . 1]" 1
346 2 10 LEU HB2 2 11 VAL H . . 3.180 2.661 2.650 2.671 . 0 0 "[ . 1]" 1
347 2 10 LEU HB3 2 11 VAL H . . 3.300 3.090 3.077 3.095 . 0 0 "[ . 1]" 1
348 2 11 VAL H 2 11 VAL HA . . 3.070 2.780 2.777 2.782 . 0 0 "[ . 1]" 1
349 2 11 VAL H 2 11 VAL HB . . 2.890 2.482 2.479 2.489 . 0 0 "[ . 1]" 1
350 2 11 VAL H 2 11 VAL MG1 . . 3.950 3.756 3.756 3.757 . 0 0 "[ . 1]" 1
351 2 11 VAL H 2 11 VAL MG2 . . 2.680 2.300 2.188 2.384 . 0 0 "[ . 1]" 1
352 2 11 VAL H 2 12 GLY H . . 3.050 2.837 2.832 2.847 . 0 0 "[ . 1]" 1
353 2 11 VAL HA 2 14 ALA H . . 3.530 3.629 3.619 3.641 0.111 2 0 "[ . 1]" 1
354 2 11 VAL HA 2 14 ALA MB . . 3.730 2.754 2.750 2.759 . 0 0 "[ . 1]" 1
355 2 11 VAL HB 2 12 GLY H . . 2.970 2.466 2.455 2.474 . 0 0 "[ . 1]" 1
356 2 11 VAL MG1 2 12 GLY H . . 3.060 3.129 3.125 3.135 0.075 8 0 "[ . 1]" 1
357 2 11 VAL MG1 2 14 ALA MB . . 3.810 3.835 3.830 3.837 0.027 4 0 "[ . 1]" 1
358 2 12 GLY H 2 12 GLY QA . . 2.510 2.202 2.201 2.203 . 0 0 "[ . 1]" 1
359 2 12 GLY H 2 13 THR H . . 3.140 2.661 2.653 2.671 . 0 0 "[ . 1]" 1
360 2 12 GLY QA 2 13 THR H . . 3.060 2.737 2.726 2.743 . 0 0 "[ . 1]" 1
361 2 12 GLY QA 2 15 VAL MG2 . . 3.620 3.127 3.039 3.243 . 0 0 "[ . 1]" 1
362 2 13 THR H 2 13 THR HB . . 3.800 3.503 3.498 3.505 . 0 0 "[ . 1]" 1
363 2 13 THR H 2 13 THR HG1 . . 3.160 2.258 2.099 2.355 . 0 0 "[ . 1]" 1
364 2 13 THR H 2 13 THR MG . . 3.050 2.945 2.938 2.964 . 0 0 "[ . 1]" 1
365 2 13 THR H 2 14 ALA H . . 3.060 2.555 2.545 2.571 . 0 0 "[ . 1]" 1
366 2 13 THR HA 2 13 THR MG . . 3.210 2.134 2.129 2.138 . 0 0 "[ . 1]" 1
367 2 13 THR HA 2 16 ILE MG . . 4.000 4.041 4.031 4.046 0.046 5 0 "[ . 1]" 1
368 2 13 THR HB 2 14 ALA H . . 3.330 3.375 3.369 3.378 0.048 1 0 "[ . 1]" 1
369 2 14 ALA H 2 14 ALA MB . . 2.720 2.220 2.219 2.222 . 0 0 "[ . 1]" 1
370 2 14 ALA H 2 15 VAL H . . 3.060 2.711 2.702 2.720 . 0 0 "[ . 1]" 1
371 2 14 ALA HA 2 15 VAL H . . 3.620 3.556 3.554 3.558 . 0 0 "[ . 1]" 1
372 2 14 ALA HA 2 17 ALA H . . 3.700 3.665 3.637 3.708 0.008 10 0 "[ . 1]" 1
373 2 14 ALA HA 2 17 ALA MB . . 3.790 2.806 2.654 2.894 . 0 0 "[ . 1]" 1
374 2 14 ALA MB 2 15 VAL H . . 3.180 2.448 2.431 2.462 . 0 0 "[ . 1]" 1
375 2 15 VAL H 2 15 VAL HA . . 3.100 2.808 2.802 2.811 . 0 0 "[ . 1]" 1
376 2 15 VAL H 2 15 VAL HB . . 2.930 2.550 2.544 2.556 . 0 0 "[ . 1]" 1
377 2 15 VAL H 2 15 VAL MG1 . . 3.950 3.764 3.763 3.764 . 0 0 "[ . 1]" 1
378 2 15 VAL H 2 15 VAL MG2 . . 2.830 2.174 1.997 2.288 . 0 0 "[ . 1]" 1
379 2 15 VAL HA 2 15 VAL MG1 . . 2.790 2.379 2.325 2.395 . 0 0 "[ . 1]" 1
380 2 15 VAL HA 2 15 VAL MG2 . . 2.690 2.369 2.294 2.435 . 0 0 "[ . 1]" 1
381 2 15 VAL HA 2 18 MET H . . 3.460 3.512 3.505 3.526 0.066 9 0 "[ . 1]" 1
382 2 15 VAL HB 2 16 ILE H . . 3.080 2.437 2.390 2.467 . 0 0 "[ . 1]" 1
383 2 15 VAL MG1 2 19 PHE QB . . 3.690 3.622 3.539 3.673 . 0 0 "[ . 1]" 1
384 2 15 VAL MG1 2 19 PHE QD . . 3.460 3.170 2.865 3.421 . 0 0 "[ . 1]" 1
385 2 16 ILE H 2 16 ILE HA . . 3.010 2.788 2.778 2.795 . 0 0 "[ . 1]" 1
386 2 16 ILE H 2 16 ILE HB . . 2.860 2.441 2.435 2.450 . 0 0 "[ . 1]" 1
387 2 16 ILE H 2 16 ILE HG12 . . 2.970 2.285 2.266 2.299 . 0 0 "[ . 1]" 1
388 2 16 ILE H 2 17 ALA H . . 3.070 2.744 2.726 2.777 . 0 0 "[ . 1]" 1
389 2 16 ILE HA 2 16 ILE MD . . 3.760 1.980 1.959 2.009 . 0 0 "[ . 1]" 1
390 2 16 ILE HA 2 16 ILE HG12 . . 3.820 2.916 2.906 2.925 . 0 0 "[ . 1]" 1
391 2 16 ILE HA 2 16 ILE HG13 . . 3.500 3.664 3.662 3.665 0.165 1 0 "[ . 1]" 1
392 2 16 ILE HA 2 17 ALA H . . 3.790 3.536 3.529 3.543 . 0 0 "[ . 1]" 1
393 2 16 ILE HA 2 19 PHE H . . 3.510 3.505 3.464 3.534 0.024 2 0 "[ . 1]" 1
394 2 16 ILE HA 2 19 PHE QB . . 3.840 2.752 2.655 2.836 . 0 0 "[ . 1]" 1
395 2 16 ILE MG 2 17 ALA H . . 3.350 3.315 3.269 3.357 0.007 4 0 "[ . 1]" 1
396 2 16 ILE MG 2 20 PHE QD . . 3.580 2.527 2.461 2.653 . 0 0 "[ . 1]" 1
397 2 17 ALA H 2 17 ALA MB . . 2.790 2.117 2.028 2.231 . 0 0 "[ . 1]" 1
398 2 17 ALA HA 2 20 PHE HB2 . . 4.180 2.943 2.849 3.033 . 0 0 "[ . 1]" 1
399 2 17 ALA MB 2 18 MET H . . 3.120 2.580 2.488 2.661 . 0 0 "[ . 1]" 1
400 2 18 MET H 2 18 MET HB3 . . 4.200 2.917 2.437 3.561 . 0 0 "[ . 1]" 1
401 2 18 MET HB3 2 19 PHE H . . 4.150 2.911 2.510 3.579 . 0 0 "[ . 1]" 1
402 2 19 PHE H 2 19 PHE HA . . 3.000 2.814 2.788 2.824 . 0 0 "[ . 1]" 1
403 2 19 PHE H 2 19 PHE QB . . 2.680 2.073 2.044 2.121 . 0 0 "[ . 1]" 1
404 2 19 PHE HA 2 20 PHE H . . 3.750 3.565 3.559 3.568 . 0 0 "[ . 1]" 1
405 2 19 PHE HA 2 22 LEU H . . 3.550 3.653 3.628 3.693 0.143 8 0 "[ . 1]" 1
406 2 19 PHE HA 2 22 LEU HB2 . . 3.650 3.118 2.986 3.609 . 0 0 "[ . 1]" 1
407 2 19 PHE HA 2 23 LEU H . . 3.800 3.859 3.816 3.925 0.125 8 0 "[ . 1]" 1
408 2 20 PHE H 2 20 PHE HA . . 3.020 2.761 2.756 2.768 . 0 0 "[ . 1]" 1
409 2 20 PHE H 2 20 PHE HB2 . . 2.710 2.348 2.293 2.400 . 0 0 "[ . 1]" 1
410 2 20 PHE H 2 20 PHE HB3 . . 3.770 3.567 3.551 3.580 . 0 0 "[ . 1]" 1
411 2 20 PHE HA 2 23 LEU H . . 3.600 3.703 3.649 3.734 0.134 3 0 "[ . 1]" 1
412 2 20 PHE HA 2 23 LEU QB . . 3.370 2.535 2.416 2.603 . 0 0 "[ . 1]" 1
413 2 20 PHE HA 2 23 LEU QD . . 3.130 2.240 2.191 2.407 . 0 0 "[ . 1]" 1
414 2 20 PHE HB3 2 23 LEU QD . . 3.540 3.576 3.516 3.667 0.127 10 0 "[ . 1]" 1
415 2 20 PHE QD 2 23 LEU QD . . 3.190 2.168 1.941 2.390 . 0 0 "[ . 1]" 1
416 2 21 TRP H 2 21 TRP HA . . 3.070 2.798 2.769 2.806 . 0 0 "[ . 1]" 1
417 2 21 TRP H 2 21 TRP HB2 . . 2.920 2.233 2.165 2.316 . 0 0 "[ . 1]" 1
418 2 21 TRP H 2 21 TRP HB3 . . 2.940 2.877 2.766 2.980 0.040 2 0 "[ . 1]" 1
419 2 21 TRP H 2 22 LEU H . . 2.930 2.854 2.831 2.900 . 0 0 "[ . 1]" 1
420 2 21 TRP HA 2 22 LEU H . . 3.720 3.569 3.566 3.571 . 0 0 "[ . 1]" 1
421 2 21 TRP HA 2 24 LEU H . . 3.670 3.736 3.701 3.755 0.085 8 0 "[ . 1]" 1
422 2 21 TRP HA 2 24 LEU QB . . 4.160 2.909 2.813 3.081 . 0 0 "[ . 1]" 1
423 2 21 TRP HA 2 24 LEU QD . . 3.660 3.367 3.221 3.586 . 0 0 "[ . 1]" 1
424 2 21 TRP HB2 2 22 LEU H . . 3.390 3.440 3.403 3.501 0.111 8 0 "[ . 1]" 1
425 2 21 TRP HE3 2 24 LEU QD . . 3.620 3.252 3.112 3.448 . 0 0 "[ . 1]" 1
426 2 21 TRP HZ3 2 24 LEU QD . . 3.200 3.095 3.032 3.168 . 0 0 "[ . 1]" 1
427 2 22 LEU H 2 22 LEU HA . . 3.100 2.805 2.799 2.812 . 0 0 "[ . 1]" 1
428 2 22 LEU HA 2 25 VAL HB . . 3.880 2.944 2.779 3.046 . 0 0 "[ . 1]" 1
429 2 23 LEU H 2 23 LEU HA . . 2.930 2.786 2.778 2.790 . 0 0 "[ . 1]" 1
430 2 23 LEU HA 2 26 ILE H . . 3.540 3.590 3.570 3.631 0.091 8 0 "[ . 1]" 1
431 2 23 LEU HA 2 26 ILE HB . . 3.290 3.157 3.086 3.305 0.015 8 0 "[ . 1]" 1
432 2 23 LEU HG 2 27 ILE MD . . 2.720 2.075 1.911 2.375 . 0 0 "[ . 1]" 1
433 2 24 LEU H 2 24 LEU HA . . 2.960 2.806 2.802 2.810 . 0 0 "[ . 1]" 1
434 2 24 LEU HA 2 27 ILE H . . 3.620 3.600 3.529 3.645 0.025 3 0 "[ . 1]" 1
435 2 24 LEU HA 2 27 ILE HB . . 3.700 2.854 2.782 2.935 . 0 0 "[ . 1]" 1
436 2 24 LEU HA 2 27 ILE MD . . 2.750 2.253 2.015 2.545 . 0 0 "[ . 1]" 1
437 2 24 LEU HA 2 28 LEU HG . . 3.890 4.002 3.969 4.041 0.151 7 0 "[ . 1]" 1
438 2 25 VAL H 2 25 VAL HA . . 3.130 2.808 2.802 2.813 . 0 0 "[ . 1]" 1
439 2 25 VAL H 2 25 VAL HB . . 2.960 2.484 2.468 2.512 . 0 0 "[ . 1]" 1
440 2 25 VAL HA 2 25 VAL MG2 . . 3.320 2.350 2.276 2.387 . 0 0 "[ . 1]" 1
441 2 25 VAL HA 2 26 ILE H . . 3.510 3.559 3.556 3.562 0.052 5 0 "[ . 1]" 1
442 2 25 VAL HA 2 28 LEU H . . 3.530 3.593 3.586 3.598 0.068 8 0 "[ . 1]" 1
443 2 25 VAL HA 2 28 LEU HB2 . . 3.780 3.014 2.938 3.104 . 0 0 "[ . 1]" 1
444 2 25 VAL HA 2 28 LEU MD1 . . 3.220 2.377 2.099 2.668 . 0 0 "[ . 1]" 1
445 2 25 VAL HB 2 26 ILE H . . 3.140 2.446 2.403 2.483 . 0 0 "[ . 1]" 1
446 2 25 VAL MG1 2 26 ILE H . . 3.410 3.173 3.141 3.203 . 0 0 "[ . 1]" 1
447 2 25 VAL MG1 2 29 ARG HD3 . . 3.440 3.532 3.525 3.539 0.099 10 0 "[ . 1]" 1
448 2 26 ILE H 2 26 ILE HA . . 2.970 2.788 2.780 2.798 . 0 0 "[ . 1]" 1
449 2 26 ILE H 2 26 ILE HB . . 2.650 2.637 2.632 2.641 . 0 0 "[ . 1]" 1
450 2 26 ILE H 2 26 ILE HG12 . . 3.070 3.132 3.125 3.143 0.073 4 0 "[ . 1]" 1
451 2 26 ILE H 2 26 ILE HG13 . . 2.780 1.935 1.928 1.946 . 0 0 "[ . 1]" 1
452 2 26 ILE H 2 27 ILE H . . 3.040 2.759 2.731 2.784 . 0 0 "[ . 1]" 1
453 2 26 ILE HA 2 26 ILE HG12 . . 3.160 2.557 2.551 2.566 . 0 0 "[ . 1]" 1
454 2 26 ILE HA 2 26 ILE HG13 . . 3.180 3.117 3.105 3.129 . 0 0 "[ . 1]" 1
455 2 26 ILE HA 2 29 ARG H . . 3.550 3.422 3.403 3.442 . 0 0 "[ . 1]" 1
456 2 26 ILE HA 2 29 ARG QB . . 3.340 2.386 2.292 2.477 . 0 0 "[ . 1]" 1
457 2 26 ILE MG 2 29 ARG HD2 . . 3.490 3.625 3.606 3.641 0.151 5 0 "[ . 1]" 1
458 2 27 ILE H 2 27 ILE HA . . 2.990 2.804 2.799 2.810 . 0 0 "[ . 1]" 1
459 2 27 ILE H 2 27 ILE HB . . 2.620 2.507 2.463 2.541 . 0 0 "[ . 1]" 1
460 2 27 ILE H 2 27 ILE HG12 . . 3.780 3.576 3.498 3.625 . 0 0 "[ . 1]" 1
461 2 27 ILE H 2 27 ILE HG13 . . 2.810 2.151 2.091 2.233 . 0 0 "[ . 1]" 1
462 2 27 ILE HA 2 27 ILE HG12 . . 3.320 2.662 2.562 2.737 . 0 0 "[ . 1]" 1
463 2 27 ILE HA 2 27 ILE HG13 . . 3.480 2.789 2.727 2.892 . 0 0 "[ . 1]" 1
464 2 27 ILE HA 2 28 LEU H . . 3.430 3.553 3.548 3.558 0.128 7 0 "[ . 1]" 1
465 2 27 ILE HA 2 30 THR H . . 4.480 3.738 3.626 3.850 . 0 0 "[ . 1]" 1
466 2 27 ILE HA 2 30 THR HB . . 3.690 3.505 3.287 3.693 0.003 7 0 "[ . 1]" 1
467 2 27 ILE MG 2 28 LEU HA . . 3.550 3.375 3.310 3.422 . 0 0 "[ . 1]" 1
468 2 28 LEU H 2 28 LEU HA . . 2.990 2.833 2.826 2.840 . 0 0 "[ . 1]" 1
469 2 28 LEU H 2 28 LEU HB2 . . 2.570 2.542 2.514 2.577 0.007 6 0 "[ . 1]" 1
470 2 28 LEU H 2 28 LEU HB3 . . 3.710 3.591 3.589 3.592 . 0 0 "[ . 1]" 1
471 2 28 LEU H 2 28 LEU MD1 . . 3.400 3.210 3.106 3.313 . 0 0 "[ . 1]" 1
472 2 28 LEU H 2 28 LEU MD2 . . 3.820 3.591 3.501 3.656 . 0 0 "[ . 1]" 1
473 2 28 LEU H 2 28 LEU HG . . 3.310 2.170 2.099 2.223 . 0 0 "[ . 1]" 1
474 2 28 LEU H 2 29 ARG H . . 3.230 2.552 2.530 2.575 . 0 0 "[ . 1]" 1
475 2 28 LEU HA 2 28 LEU HB2 . . 3.120 3.014 3.012 3.015 . 0 0 "[ . 1]" 1
476 2 28 LEU HA 2 28 LEU MD1 . . 3.930 3.946 3.938 3.958 0.028 6 0 "[ . 1]" 1
477 2 28 LEU HA 2 28 LEU MD2 . . 2.510 2.364 2.276 2.502 . 0 0 "[ . 1]" 1
478 2 28 LEU HA 2 31 VAL HB . . 3.470 2.492 2.380 2.584 . 0 0 "[ . 1]" 1
479 2 29 ARG H 2 29 ARG HA . . 3.010 2.838 2.828 2.850 . 0 0 "[ . 1]" 1
480 2 29 ARG H 2 29 ARG QB . . 2.640 2.241 2.227 2.268 . 0 0 "[ . 1]" 1
481 2 29 ARG H 2 29 ARG HG3 . . 3.060 2.710 2.635 2.750 . 0 0 "[ . 1]" 1
482 2 29 ARG H 2 30 THR H . . 3.200 2.693 2.637 2.759 . 0 0 "[ . 1]" 1
483 2 29 ARG HA 2 29 ARG HG3 . . 3.340 2.720 2.699 2.734 . 0 0 "[ . 1]" 1
484 2 29 ARG HA 2 32 LYS H . . 3.520 3.588 3.574 3.611 0.091 4 0 "[ . 1]" 1
485 2 29 ARG HA 2 32 LYS QB . . 4.390 2.991 2.779 3.899 . 0 0 "[ . 1]" 1
486 2 29 ARG QB 2 30 THR H . . 3.710 2.419 2.366 2.496 . 0 0 "[ . 1]" 1
487 2 30 THR H 2 30 THR HB . . 3.780 2.107 2.105 2.110 . 0 0 "[ . 1]" 1
488 2 30 THR H 2 30 THR MG . . 3.150 3.246 3.231 3.258 0.108 3 0 "[ . 1]" 1
489 2 30 THR H 2 31 VAL H . . 3.000 2.605 2.582 2.617 . 0 0 "[ . 1]" 1
490 2 30 THR HA 2 30 THR MG . . 3.320 2.952 2.947 2.961 . 0 0 "[ . 1]" 1
491 2 30 THR HA 2 31 VAL H . . 3.270 3.507 3.506 3.509 0.239 3 0 "[ . 1]" 1
492 2 30 THR HA 2 33 ARG H . . 3.920 3.464 3.352 3.535 . 0 0 "[ . 1]" 1
493 2 30 THR HA 2 33 ARG HB2 . . 3.490 2.480 2.295 2.559 . 0 0 "[ . 1]" 1
494 2 30 THR HA 2 33 ARG HG3 . . 3.590 3.616 3.604 3.625 0.035 2 0 "[ . 1]" 1
495 2 30 THR HA 2 34 ALA H . . 4.600 4.561 4.352 4.609 0.009 7 0 "[ . 1]" 1
496 2 30 THR HB 2 31 VAL H . . 3.220 3.314 3.304 3.334 0.114 6 0 "[ . 1]" 1
497 2 30 THR MG 2 31 VAL H . . 3.240 2.423 2.416 2.435 . 0 0 "[ . 1]" 1
498 2 31 VAL H 2 31 VAL HA . . 3.120 2.853 2.836 2.862 . 0 0 "[ . 1]" 1
499 2 31 VAL H 2 31 VAL HB . . 2.900 2.464 2.436 2.489 . 0 0 "[ . 1]" 1
500 2 31 VAL H 2 32 LYS H . . 3.060 2.533 2.499 2.594 . 0 0 "[ . 1]" 1
501 2 31 VAL HA 2 32 LYS H . . 3.440 3.526 3.516 3.532 0.092 4 0 "[ . 1]" 1
502 2 31 VAL HA 2 33 ARG H . . 4.450 4.096 4.042 4.168 . 0 0 "[ . 1]" 1
503 2 31 VAL HA 2 34 ALA H . . 4.300 3.612 3.588 3.676 . 0 0 "[ . 1]" 1
504 2 31 VAL HA 2 34 ALA MB . . 3.000 3.029 3.020 3.040 0.040 7 0 "[ . 1]" 1
505 2 31 VAL HB 2 32 LYS H . . 3.280 2.692 2.653 2.754 . 0 0 "[ . 1]" 1
506 2 31 VAL MG1 2 32 LYS H . . 3.390 3.423 3.413 3.429 0.039 6 0 "[ . 1]" 1
507 2 31 VAL MG1 2 35 ASN HD21 . . 4.250 4.071 3.330 4.254 0.004 9 0 "[ . 1]" 1
508 2 32 LYS H 2 32 LYS HA . . 3.120 2.858 2.853 2.870 . 0 0 "[ . 1]" 1
509 2 32 LYS H 2 33 ARG H . . 3.150 2.473 2.426 2.492 . 0 0 "[ . 1]" 1
510 2 32 LYS HA 2 33 ARG H . . 3.450 3.458 3.448 3.467 0.017 10 0 "[ . 1]" 1
511 2 32 LYS HA 2 35 ASN HB3 . . 4.050 3.709 3.297 4.036 . 0 0 "[ . 1]" 1
512 2 33 ARG H 2 33 ARG QB . . 2.810 2.075 2.067 2.081 . 0 0 "[ . 1]" 1
513 2 33 ARG H 2 33 ARG HB3 . . 3.230 3.370 3.357 3.384 0.154 7 0 "[ . 1]" 1
514 2 33 ARG H 2 33 ARG HG2 . . 3.370 3.400 3.390 3.406 0.036 10 0 "[ . 1]" 1
515 2 33 ARG H 2 34 ALA H . . 3.500 2.535 2.504 2.551 . 0 0 "[ . 1]" 1
516 2 33 ARG HA 2 33 ARG QD . . 3.160 2.442 2.346 2.503 . 0 0 "[ . 1]" 1
517 2 33 ARG HA 2 37 GLY H . . 4.970 3.952 3.103 4.709 . 0 0 "[ . 1]" 1
518 2 33 ARG HB2 2 34 ALA H . . 3.690 3.103 3.046 3.185 . 0 0 "[ . 1]" 1
519 2 33 ARG HB3 2 34 ALA H . . 3.860 3.231 3.179 3.299 . 0 0 "[ . 1]" 1
520 2 34 ALA H 2 34 ALA MB . . 2.570 2.058 2.031 2.096 . 0 0 "[ . 1]" 1
521 2 34 ALA HA 2 34 ALA MB . . 2.400 2.089 2.083 2.097 . 0 0 "[ . 1]" 1
522 2 34 ALA HA 2 35 ASN H . . 3.510 3.514 3.500 3.524 0.014 1 0 "[ . 1]" 1
523 2 34 ALA HA 2 36 GLY H . . 4.090 3.988 3.839 4.082 . 0 0 "[ . 1]" 1
524 2 34 ALA MB 2 35 ASN H . . 2.970 2.794 2.737 2.850 . 0 0 "[ . 1]" 1
525 2 34 ALA MB 2 37 GLY H . . 5.500 5.031 4.530 5.467 . 0 0 "[ . 1]" 1
526 2 35 ASN H 2 35 ASN HB2 . . 3.340 2.181 2.119 2.292 . 0 0 "[ . 1]" 1
527 2 35 ASN H 2 35 ASN HB3 . . 3.610 3.012 2.800 3.467 . 0 0 "[ . 1]" 1
528 2 35 ASN HA 2 36 GLY H . . 3.610 3.494 3.467 3.517 . 0 0 "[ . 1]" 1
529 2 35 ASN HB2 2 36 GLY H . . 4.950 3.628 3.164 3.844 . 0 0 "[ . 1]" 1
530 2 36 GLY QA 2 37 GLY H . . 3.710 2.566 2.389 2.746 . 0 0 "[ . 1]" 1
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