NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
390416 |
1ojg   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ojg
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 1387
_Distance_constraint_stats_list.Viol_count 1570
_Distance_constraint_stats_list.Viol_total 3404.854
_Distance_constraint_stats_list.Viol_max 1.424
_Distance_constraint_stats_list.Viol_rms 0.1007
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0245
_Distance_constraint_stats_list.Viol_average_violations_only 0.2169
_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 SER 0.000 0.000 . 0 "[ . 1]"
1 2 ASP 0.000 0.000 . 0 "[ . 1]"
1 3 MET 0.293 0.129 2 0 "[ . 1]"
1 4 THR 12.962 1.209 7 10 [*-****+***]
1 5 ARG 0.157 0.096 8 0 "[ . 1]"
1 6 ASP 0.283 0.127 7 0 "[ . 1]"
1 7 GLY 2.685 0.237 10 0 "[ . 1]"
1 8 LEU 1.785 0.581 8 1 "[ . + 1]"
1 9 ALA 0.591 0.180 7 0 "[ . 1]"
1 10 ASN 3.237 0.237 10 0 "[ . 1]"
1 11 LYS 0.880 0.168 1 0 "[ . 1]"
1 12 ALA 5.371 0.746 10 4 "[ . *-*+]"
1 13 LEU 1.077 0.229 10 0 "[ . 1]"
1 14 ALA 11.336 1.080 5 9 "[****+** -*]"
1 15 VAL 3.692 0.534 4 1 "[ +. 1]"
1 16 ALA 3.190 0.576 4 1 "[ +. 1]"
1 17 ARG 1.914 0.320 8 0 "[ . 1]"
1 18 THR 13.268 1.358 3 10 [**+-******]
1 19 LEU 2.002 0.319 4 0 "[ . 1]"
1 20 ALA 1.264 0.346 2 0 "[ . 1]"
1 21 ASP 10.192 1.424 4 9 [**-+.*****]
1 22 SER 0.611 0.132 9 0 "[ . 1]"
1 23 PRO 0.675 0.188 6 0 "[ . 1]"
1 24 GLU 2.773 0.336 10 0 "[ . 1]"
1 25 ILE 8.898 0.575 3 2 "[ + . -1]"
1 26 ARG 4.783 0.320 5 0 "[ . 1]"
1 27 GLN 4.237 0.605 9 2 "[ - . +1]"
1 28 GLY 5.975 0.730 3 7 "[ +****- *]"
1 29 LEU 11.643 0.730 3 8 "[ +*****-*]"
1 30 GLN 4.710 0.605 9 2 "[ - . +1]"
1 31 LYS 3.361 0.729 5 1 "[ + 1]"
1 32 LYS 11.156 1.120 1 7 "[+***** - 1]"
1 33 PRO 9.430 0.856 4 4 "[-* +* 1]"
1 34 GLN 3.782 0.609 5 2 "[ + - 1]"
1 35 GLU 5.549 0.480 3 0 "[ . 1]"
1 36 SER 3.115 0.450 4 0 "[ . 1]"
1 37 GLY 1.507 0.341 2 0 "[ . 1]"
1 38 ILE 16.518 0.687 5 2 "[ * + 1]"
1 39 GLN 2.049 0.634 9 2 "[ . -+1]"
1 40 ALA 11.151 1.078 1 10 [+**-******]
1 41 ILE 18.902 1.424 4 9 [***+.**-**]
1 42 ALA 2.695 0.367 8 0 "[ . 1]"
1 43 GLU 1.081 0.274 4 0 "[ . 1]"
1 44 ALA 22.643 1.358 3 10 [**+-******]
1 45 VAL 4.945 0.400 9 0 "[ . 1]"
1 46 ARG 1.610 0.214 10 0 "[ . 1]"
1 47 LYS 3.704 0.780 6 2 "[ .+ -]"
1 48 ARG 1.407 0.361 6 0 "[ . 1]"
1 49 ASN 1.503 0.509 10 1 "[ . +]"
1 50 ASP 3.740 0.780 6 2 "[ .+ -]"
1 51 LEU 2.107 0.509 10 1 "[ . +]"
1 52 LEU 0.896 0.376 8 0 "[ . 1]"
1 53 PHE 0.728 0.376 8 0 "[ . 1]"
1 54 ILE 9.548 1.080 5 9 "[****+** -*]"
1 55 VAL 2.548 0.163 2 0 "[ . 1]"
1 56 VAL 1.735 0.346 2 0 "[ . 1]"
1 57 THR 6.735 0.564 3 3 "[ + *- 1]"
1 58 ASP 9.706 1.120 1 7 "[+****- * 1]"
1 59 MET 8.631 0.635 6 3 "[ -*.+ 1]"
1 60 GLN 8.010 0.889 8 9 [****.-*+**]
1 61 SER 10.677 0.672 1 3 "[+ . *- 1]"
1 62 LEU 16.928 0.889 8 9 [****.-*+**]
1 63 ARG 19.356 0.811 5 8 "[****+ * *-]"
1 64 TYR 3.465 0.315 4 0 "[ . 1]"
1 65 SER 11.632 0.811 5 8 "[****+ * *-]"
1 66 HIS 0.000 0.000 . 0 "[ . 1]"
1 67 PRO 1.014 0.219 5 0 "[ . 1]"
1 68 GLU 0.284 0.284 5 0 "[ . 1]"
1 69 ALA 2.263 0.440 5 0 "[ . 1]"
1 70 GLN 0.327 0.284 5 0 "[ . 1]"
1 71 ARG 18.065 0.835 5 9 [-***+****1]
1 72 ILE 24.567 0.856 4 10 [-**+******]
1 73 GLY 2.339 0.254 4 0 "[ . 1]"
1 74 GLN 7.959 0.721 2 10 [*+****-***]
1 75 PRO 1.721 0.706 7 1 "[ . + 1]"
1 76 PHE 1.013 0.252 5 0 "[ . 1]"
1 77 LYS 0.271 0.115 8 0 "[ . 1]"
1 78 GLY 0.060 0.060 7 0 "[ . 1]"
1 79 ASP 1.182 0.252 5 0 "[ . 1]"
1 80 ASP 0.866 0.166 3 0 "[ . 1]"
1 81 ILE 4.161 0.441 7 0 "[ . 1]"
1 82 LEU 0.902 0.210 10 0 "[ . 1]"
1 83 LYS 1.829 0.349 6 0 "[ . 1]"
1 84 ALA 3.937 0.560 4 1 "[ +. 1]"
1 85 LEU 3.613 0.560 4 1 "[ +. 1]"
1 86 ASN 11.763 0.516 10 1 "[ . +]"
1 87 GLY 5.502 0.455 5 0 "[ . 1]"
1 88 GLU 3.749 0.507 3 1 "[ + . 1]"
1 89 GLU 4.775 0.507 3 1 "[ + . 1]"
1 90 ASN 6.237 0.527 7 1 "[ . + 1]"
1 91 VAL 6.759 0.527 7 1 "[ . + 1]"
1 92 ALA 0.336 0.087 3 0 "[ . 1]"
1 93 ILE 1.111 0.212 8 0 "[ . 1]"
1 94 ASN 4.413 0.550 1 1 "[+ . 1]"
1 95 ARG 0.347 0.155 2 0 "[ . 1]"
1 96 GLY 0.000 0.000 . 0 "[ . 1]"
1 97 PHE 0.000 0.000 . 0 "[ . 1]"
1 98 LEU 3.012 0.341 5 0 "[ . 1]"
1 99 ALA 3.737 0.341 5 0 "[ . 1]"
1 100 GLN 0.537 0.227 7 0 "[ . 1]"
1 101 ALA 0.780 0.155 2 0 "[ . 1]"
1 102 LEU 13.202 1.209 7 10 [*-****+***]
1 103 ARG 1.083 0.165 6 0 "[ . 1]"
1 104 VAL 12.746 0.746 10 4 "[ . *-*+]"
1 105 PHE 2.167 0.291 10 0 "[ . 1]"
1 106 THR 9.917 0.610 1 9 "[+******- *]"
1 107 PRO 8.898 0.610 1 9 "[+******- *]"
1 108 ILE 5.275 0.766 2 5 "[*+ .-** 1]"
1 109 TYR 2.676 0.348 2 0 "[ . 1]"
1 110 ASP 4.484 0.405 3 0 "[ . 1]"
1 111 GLU 2.212 0.405 3 0 "[ . 1]"
1 112 ASN 2.039 0.384 10 0 "[ . 1]"
1 113 HIS 3.587 0.384 10 0 "[ . 1]"
1 114 LYS 0.882 0.224 2 0 "[ . 1]"
1 115 GLN 2.574 0.237 6 0 "[ . 1]"
1 116 ILE 15.410 0.766 2 7 "[*+* -*** 1]"
1 117 GLY 6.061 0.507 5 1 "[ + 1]"
1 118 VAL 4.641 0.494 5 0 "[ . 1]"
1 119 VAL 1.461 0.210 1 0 "[ . 1]"
1 120 ALA 3.024 0.210 1 0 "[ . 1]"
1 121 ILE 9.999 0.805 7 10 [****-*+***]
1 122 GLY 0.102 0.043 5 0 "[ . 1]"
1 123 LEU 6.694 0.805 7 10 [****-*+***]
1 124 GLU 10.954 0.835 5 9 [****+*-**1]
1 125 LEU 0.079 0.079 7 0 "[ . 1]"
1 126 SER 0.157 0.157 7 0 "[ . 1]"
1 127 ARG 2.729 0.343 6 0 "[ . 1]"
1 128 VAL 2.756 0.319 4 0 "[ . 1]"
1 129 THR 2.539 0.319 4 0 "[ . 1]"
1 130 GLN 2.297 0.343 6 0 "[ . 1]"
1 131 GLN 3.283 0.361 9 0 "[ . 1]"
1 132 ILE 4.680 0.539 2 1 "[ + . 1]"
1 133 ASN 0.455 0.090 5 0 "[ . 1]"
1 134 ASP 0.382 0.090 5 0 "[ . 1]"
1 135 SER 0.000 0.000 . 0 "[ . 1]"
1 136 ARG 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 SER HA 1 4 THR HB 4.200 . 5.400 4.628 4.173 5.347 . 0 0 "[ . 1]" 1
2 1 1 SER HA 1 4 THR MG 4.200 . 5.400 2.840 2.203 4.531 . 0 0 "[ . 1]" 1
3 1 1 SER HB2 1 2 ASP QB 4.200 . 5.400 4.619 4.046 5.342 . 0 0 "[ . 1]" 1
4 1 3 MET H 1 3 MET HB2 3.000 . 3.800 2.633 2.271 3.273 . 0 0 "[ . 1]" 1
5 1 3 MET H 1 3 MET HB3 3.600 . 4.600 2.904 2.331 3.668 . 0 0 "[ . 1]" 1
6 1 3 MET H 1 4 THR H 4.200 . 5.400 3.134 2.870 3.238 . 0 0 "[ . 1]" 1
7 1 3 MET H 1 4 THR HB 4.200 . 5.400 5.230 4.691 5.529 0.129 2 0 "[ . 1]" 1
8 1 3 MET HA 1 5 ARG H 4.200 . 5.400 4.210 3.780 4.494 . 0 0 "[ . 1]" 1
9 1 3 MET HA 1 6 ASP QB 4.200 . 5.400 4.105 2.724 4.628 . 0 0 "[ . 1]" 1
10 1 3 MET HB2 1 4 THR H 4.200 . 5.400 3.355 2.177 4.642 . 0 0 "[ . 1]" 1
11 1 3 MET HB3 1 4 THR H 4.200 . 5.400 2.742 1.909 3.652 0.091 5 0 "[ . 1]" 1
12 1 4 THR H 1 4 THR HB 3.600 . 4.600 2.209 1.971 2.415 0.029 8 0 "[ . 1]" 1
13 1 4 THR H 1 4 THR MG 4.200 . 5.400 2.327 1.832 3.106 0.168 2 0 "[ . 1]" 1
14 1 4 THR H 1 5 ARG H 4.200 . 5.400 2.696 2.551 2.820 . 0 0 "[ . 1]" 1
15 1 4 THR H 1 6 ASP H 4.200 . 5.400 4.754 4.468 4.975 . 0 0 "[ . 1]" 1
16 1 4 THR H 1 102 LEU H 4.200 . 5.400 6.306 5.924 6.609 1.209 7 10 [*-****+***] 1
17 1 4 THR HA 1 5 ARG H 4.200 . 5.400 3.528 3.492 3.603 . 0 0 "[ . 1]" 1
18 1 4 THR HB 1 5 ARG H 4.200 . 5.400 3.795 3.481 3.961 . 0 0 "[ . 1]" 1
19 1 4 THR MG 1 8 LEU MD1 4.200 . 5.400 4.243 3.180 4.951 . 0 0 "[ . 1]" 1
20 1 4 THR MG 1 91 VAL MG1 4.200 . 5.400 5.609 5.436 5.728 0.328 1 0 "[ . 1]" 1
21 1 4 THR MG 1 93 ILE MG 4.200 . 5.400 5.272 4.856 5.612 0.212 8 0 "[ . 1]" 1
22 1 4 THR MG 1 132 ILE MG 4.200 . 5.400 5.372 5.044 5.939 0.539 2 1 "[ + . 1]" 1
23 1 5 ARG H 1 5 ARG QB 4.200 . 5.400 2.296 2.229 2.368 . 0 0 "[ . 1]" 1
24 1 5 ARG H 1 6 ASP H 3.000 . 3.800 3.014 2.942 3.168 . 0 0 "[ . 1]" 1
25 1 5 ARG H 1 6 ASP QB 4.200 . 5.400 4.950 4.714 5.129 . 0 0 "[ . 1]" 1
26 1 5 ARG H 1 7 GLY H 4.200 . 5.400 4.859 4.775 4.978 . 0 0 "[ . 1]" 1
27 1 5 ARG HA 1 6 ASP H 4.200 . 5.400 3.488 3.454 3.584 . 0 0 "[ . 1]" 1
28 1 5 ARG HA 1 8 LEU QB 4.200 . 5.400 4.415 3.734 4.648 . 0 0 "[ . 1]" 1
29 1 5 ARG QB 1 6 ASP H 3.600 . 4.600 2.139 1.904 2.725 0.096 8 0 "[ . 1]" 1
30 1 6 ASP H 1 6 ASP QB 3.600 . 4.600 2.409 2.270 2.521 . 0 0 "[ . 1]" 1
31 1 6 ASP H 1 7 GLY H 3.600 . 4.600 2.892 2.594 3.095 . 0 0 "[ . 1]" 1
32 1 6 ASP HA 1 7 GLY H 3.000 . 3.800 3.576 3.527 3.595 . 0 0 "[ . 1]" 1
33 1 6 ASP HA 1 8 LEU H 4.200 . 5.400 5.108 4.980 5.303 . 0 0 "[ . 1]" 1
34 1 6 ASP HA 1 9 ALA H 4.200 . 5.400 4.105 3.753 4.403 . 0 0 "[ . 1]" 1
35 1 6 ASP HA 1 9 ALA MB 4.200 . 5.400 2.993 2.458 3.495 . 0 0 "[ . 1]" 1
36 1 6 ASP QB 1 7 GLY H 3.600 . 4.600 2.158 1.873 2.329 0.127 7 0 "[ . 1]" 1
37 1 7 GLY H 1 7 GLY HA2 3.000 . 3.800 2.347 2.330 2.382 . 0 0 "[ . 1]" 1
38 1 7 GLY H 1 7 GLY HA3 2.500 . 2.900 2.899 2.852 2.940 0.040 9 0 "[ . 1]" 1
39 1 7 GLY H 1 8 LEU H 2.500 . 2.900 2.728 2.626 2.855 . 0 0 "[ . 1]" 1
40 1 7 GLY H 1 8 LEU QB 4.200 . 5.400 4.486 4.363 4.650 . 0 0 "[ . 1]" 1
41 1 7 GLY H 1 9 ALA MB 4.200 . 5.400 4.599 4.373 4.861 . 0 0 "[ . 1]" 1
42 1 7 GLY H 1 10 ASN HB3 4.200 . 5.400 5.528 5.480 5.637 0.237 10 0 "[ . 1]" 1
43 1 7 GLY QA 1 10 ASN HB2 4.200 . 5.400 3.645 3.290 3.754 . 0 0 "[ . 1]" 1
44 1 7 GLY HA2 1 8 LEU H 3.600 . 4.600 2.909 2.751 3.035 . 0 0 "[ . 1]" 1
45 1 7 GLY HA2 1 10 ASN HB2 4.200 . 5.400 5.489 5.114 5.594 0.194 10 0 "[ . 1]" 1
46 1 7 GLY HA2 1 10 ASN HB3 4.200 . 5.400 4.390 4.201 4.569 . 0 0 "[ . 1]" 1
47 1 7 GLY HA3 1 8 LEU H 3.000 . 3.800 3.631 3.593 3.668 . 0 0 "[ . 1]" 1
48 1 7 GLY HA3 1 10 ASN HB2 4.200 . 5.400 3.700 3.330 3.815 . 0 0 "[ . 1]" 1
49 1 7 GLY HA3 1 10 ASN HB3 4.200 . 5.400 2.765 2.612 2.891 . 0 0 "[ . 1]" 1
50 1 8 LEU H 1 8 LEU HA 3.000 . 3.800 2.836 2.806 2.865 . 0 0 "[ . 1]" 1
51 1 8 LEU H 1 8 LEU QB 2.500 . 2.900 2.131 2.069 2.228 . 0 0 "[ . 1]" 1
52 1 8 LEU H 1 8 LEU MD1 3.600 . 4.600 4.346 3.824 4.513 . 0 0 "[ . 1]" 1
53 1 8 LEU H 1 8 LEU MD2 3.600 . 4.600 3.922 3.335 4.383 . 0 0 "[ . 1]" 1
54 1 8 LEU H 1 8 LEU HG 3.000 . 3.800 3.862 3.373 4.381 0.581 8 1 "[ . + 1]" 1
55 1 8 LEU H 1 9 ALA H 3.000 . 3.800 2.768 2.695 2.893 . 0 0 "[ . 1]" 1
56 1 8 LEU H 1 9 ALA MB 4.200 . 5.400 4.438 4.298 4.635 . 0 0 "[ . 1]" 1
57 1 8 LEU HA 1 9 ALA H 4.200 . 5.400 3.611 3.567 3.647 . 0 0 "[ . 1]" 1
58 1 8 LEU HA 1 10 ASN H 4.200 . 5.400 4.752 4.524 5.097 . 0 0 "[ . 1]" 1
59 1 8 LEU HA 1 11 LYS QB 4.200 . 5.400 3.129 2.810 4.095 . 0 0 "[ . 1]" 1
60 1 8 LEU QB 1 9 ALA H 3.000 . 3.800 3.030 2.292 3.414 . 0 0 "[ . 1]" 1
61 1 8 LEU MD1 1 9 ALA H 3.600 . 4.600 3.842 3.351 4.655 0.055 8 0 "[ . 1]" 1
62 1 8 LEU MD2 1 9 ALA H 3.000 . 3.800 3.603 2.079 3.905 0.105 7 0 "[ . 1]" 1
63 1 8 LEU HG 1 9 ALA H 3.000 . 3.800 2.661 2.268 3.887 0.087 8 0 "[ . 1]" 1
64 1 9 ALA H 1 9 ALA MB 2.500 . 2.900 2.275 2.242 2.334 . 0 0 "[ . 1]" 1
65 1 9 ALA H 1 10 ASN H 3.600 . 4.600 3.052 2.918 3.174 . 0 0 "[ . 1]" 1
66 1 9 ALA HA 1 10 ASN H 4.200 . 5.400 3.595 3.545 3.650 . 0 0 "[ . 1]" 1
67 1 9 ALA HA 1 12 ALA MB 4.200 . 5.400 4.176 3.515 4.454 . 0 0 "[ . 1]" 1
68 1 9 ALA HA 1 104 VAL QG 4.200 . 5.400 2.036 1.973 2.202 0.027 6 0 "[ . 1]" 1
69 1 9 ALA MB 1 10 ASN H 3.600 . 4.600 2.247 2.018 2.445 . 0 0 "[ . 1]" 1
70 1 9 ALA MB 1 12 ALA MB 4.200 . 5.400 5.084 4.673 5.322 . 0 0 "[ . 1]" 1
71 1 9 ALA MB 1 91 VAL MG1 4.200 . 5.400 4.949 4.327 5.580 0.180 7 0 "[ . 1]" 1
72 1 9 ALA MB 1 91 VAL MG2 4.200 . 5.400 3.779 3.424 4.111 . 0 0 "[ . 1]" 1
73 1 9 ALA MB 1 104 VAL QG 4.200 . 5.400 2.300 2.046 2.945 . 0 0 "[ . 1]" 1
74 1 10 ASN H 1 10 ASN HB2 3.600 . 4.600 2.373 2.143 2.534 . 0 0 "[ . 1]" 1
75 1 10 ASN H 1 10 ASN HB3 3.600 . 4.600 2.568 2.460 2.654 . 0 0 "[ . 1]" 1
76 1 10 ASN H 1 10 ASN HD21 4.200 . 5.400 4.627 4.370 4.798 . 0 0 "[ . 1]" 1
77 1 10 ASN H 1 11 LYS H 4.200 . 5.400 2.814 2.653 3.051 . 0 0 "[ . 1]" 1
78 1 10 ASN H 1 11 LYS QD 4.200 . 5.400 5.305 5.028 5.501 0.101 1 0 "[ . 1]" 1
79 1 10 ASN H 1 12 ALA H 4.200 . 5.400 4.272 3.962 4.897 . 0 0 "[ . 1]" 1
80 1 10 ASN HA 1 11 LYS H 4.200 . 5.400 3.573 3.530 3.609 . 0 0 "[ . 1]" 1
81 1 10 ASN HA 1 13 LEU H 4.200 . 5.400 4.016 3.571 4.497 . 0 0 "[ . 1]" 1
82 1 10 ASN HA 1 13 LEU HB2 4.200 . 5.400 3.845 2.926 4.550 . 0 0 "[ . 1]" 1
83 1 10 ASN HA 1 13 LEU HB3 4.200 . 5.400 3.398 2.740 4.572 . 0 0 "[ . 1]" 1
84 1 10 ASN HA 1 13 LEU MD1 4.200 . 5.400 4.300 3.001 5.338 . 0 0 "[ . 1]" 1
85 1 10 ASN HA 1 14 ALA H 4.200 . 5.400 4.373 4.066 4.698 . 0 0 "[ . 1]" 1
86 1 10 ASN HB2 1 11 LYS H 3.600 . 4.600 3.450 3.354 3.562 . 0 0 "[ . 1]" 1
87 1 10 ASN HB3 1 11 LYS H 3.600 . 4.600 1.960 1.832 2.083 0.168 1 0 "[ . 1]" 1
88 1 11 LYS H 1 11 LYS HA 3.000 . 3.800 2.816 2.771 2.870 . 0 0 "[ . 1]" 1
89 1 11 LYS H 1 11 LYS QB 2.500 . 2.900 2.420 2.098 2.600 . 0 0 "[ . 1]" 1
90 1 11 LYS H 1 11 LYS QD 3.600 . 4.600 3.408 2.813 3.778 . 0 0 "[ . 1]" 1
91 1 11 LYS H 1 11 LYS QG 3.600 . 4.600 2.413 1.937 3.872 0.063 1 0 "[ . 1]" 1
92 1 11 LYS H 1 12 ALA H 3.000 . 3.800 3.031 2.861 3.337 . 0 0 "[ . 1]" 1
93 1 11 LYS H 1 12 ALA MB 4.200 . 5.400 4.714 4.563 4.938 . 0 0 "[ . 1]" 1
94 1 11 LYS H 1 13 LEU H 4.200 . 5.400 4.325 4.171 4.417 . 0 0 "[ . 1]" 1
95 1 11 LYS HA 1 12 ALA H 4.200 . 5.400 3.639 3.553 3.767 . 0 0 "[ . 1]" 1
96 1 11 LYS HA 1 13 LEU H 4.200 . 5.400 4.596 4.395 4.795 . 0 0 "[ . 1]" 1
97 1 11 LYS HA 1 14 ALA MB 4.200 . 5.400 3.139 2.854 3.788 . 0 0 "[ . 1]" 1
98 1 11 LYS QB 1 12 ALA H 3.000 . 3.800 2.859 2.460 3.484 . 0 0 "[ . 1]" 1
99 1 11 LYS QD 1 12 ALA H 4.200 . 5.400 4.704 4.004 5.110 . 0 0 "[ . 1]" 1
100 1 12 ALA H 1 12 ALA HA 3.000 . 3.800 2.885 2.799 2.935 . 0 0 "[ . 1]" 1
101 1 12 ALA H 1 12 ALA MB 2.500 . 2.900 2.270 2.121 2.403 . 0 0 "[ . 1]" 1
102 1 12 ALA H 1 13 LEU H 3.600 . 4.600 2.434 2.169 2.776 . 0 0 "[ . 1]" 1
103 1 12 ALA H 1 14 ALA H 4.200 . 5.400 4.080 3.645 4.392 . 0 0 "[ . 1]" 1
104 1 12 ALA HA 1 13 LEU H 4.200 . 5.400 3.484 3.427 3.584 . 0 0 "[ . 1]" 1
105 1 12 ALA HA 1 15 VAL H 4.200 . 5.400 3.353 2.793 3.780 . 0 0 "[ . 1]" 1
106 1 12 ALA HA 1 15 VAL HB 4.200 . 5.400 3.421 2.164 4.775 . 0 0 "[ . 1]" 1
107 1 12 ALA HA 1 104 VAL QG 4.200 . 5.400 5.803 5.263 6.146 0.746 10 4 "[ . *-*+]" 1
108 1 12 ALA HA 1 121 ILE MG 4.200 . 5.400 3.949 3.547 4.427 . 0 0 "[ . 1]" 1
109 1 12 ALA MB 1 13 LEU H 3.000 . 3.800 2.816 2.727 2.959 . 0 0 "[ . 1]" 1
110 1 12 ALA MB 1 15 VAL H 4.200 . 5.400 4.758 4.205 5.082 . 0 0 "[ . 1]" 1
111 1 12 ALA MB 1 15 VAL MG1 4.200 . 5.400 5.256 3.441 5.646 0.246 4 0 "[ . 1]" 1
112 1 12 ALA MB 1 104 VAL QG 4.200 . 5.400 3.396 2.848 3.763 . 0 0 "[ . 1]" 1
113 1 12 ALA MB 1 121 ILE MD 4.200 . 5.400 2.409 2.023 3.037 . 0 0 "[ . 1]" 1
114 1 12 ALA MB 1 121 ILE MG 4.200 . 5.400 1.969 1.903 2.044 0.097 8 0 "[ . 1]" 1
115 1 13 LEU H 1 13 LEU HB2 4.200 . 5.400 2.427 2.255 2.696 . 0 0 "[ . 1]" 1
116 1 13 LEU H 1 13 LEU HB3 3.000 . 3.800 2.762 2.345 3.641 . 0 0 "[ . 1]" 1
117 1 13 LEU H 1 13 LEU MD1 4.200 . 5.400 4.120 3.635 4.285 . 0 0 "[ . 1]" 1
118 1 13 LEU H 1 13 LEU MD2 3.600 . 4.600 4.210 3.838 4.352 . 0 0 "[ . 1]" 1
119 1 13 LEU H 1 13 LEU HG 4.200 . 5.400 4.174 2.576 4.485 . 0 0 "[ . 1]" 1
120 1 13 LEU H 1 14 ALA H 4.200 . 5.400 2.735 2.602 2.975 . 0 0 "[ . 1]" 1
121 1 13 LEU HA 1 14 ALA H 3.600 . 4.600 3.564 3.529 3.624 . 0 0 "[ . 1]" 1
122 1 13 LEU HA 1 16 ALA MB 4.200 . 5.400 2.765 2.481 2.976 . 0 0 "[ . 1]" 1
123 1 13 LEU HB2 1 14 ALA H 3.000 . 3.800 3.733 2.831 3.950 0.150 6 0 "[ . 1]" 1
124 1 13 LEU HB3 1 14 ALA H 3.600 . 4.600 2.773 2.542 3.609 . 0 0 "[ . 1]" 1
125 1 13 LEU MD1 1 14 ALA H 3.600 . 4.600 4.582 4.208 4.829 0.229 10 0 "[ . 1]" 1
126 1 13 LEU MD1 1 104 VAL QG 4.200 . 5.400 3.762 2.975 4.667 . 0 0 "[ . 1]" 1
127 1 13 LEU MD1 1 106 THR MG 4.200 . 5.400 2.407 1.969 3.912 0.031 7 0 "[ . 1]" 1
128 1 13 LEU HG 1 14 ALA H 4.200 . 5.400 4.521 3.391 5.184 . 0 0 "[ . 1]" 1
129 1 14 ALA H 1 14 ALA HA 3.000 . 3.800 2.877 2.840 2.892 . 0 0 "[ . 1]" 1
130 1 14 ALA H 1 14 ALA MB 2.500 . 2.900 2.147 2.066 2.268 . 0 0 "[ . 1]" 1
131 1 14 ALA H 1 15 VAL H 3.000 . 3.800 2.858 2.679 3.041 . 0 0 "[ . 1]" 1
132 1 14 ALA H 1 16 ALA H 4.200 . 5.400 4.021 3.838 4.212 . 0 0 "[ . 1]" 1
133 1 14 ALA HA 1 15 VAL H 4.200 . 5.400 3.626 3.545 3.664 . 0 0 "[ . 1]" 1
134 1 14 ALA HA 1 17 ARG H 4.200 . 5.400 3.168 2.899 3.368 . 0 0 "[ . 1]" 1
135 1 14 ALA HA 1 17 ARG QB 4.200 . 5.400 2.295 2.202 2.435 . 0 0 "[ . 1]" 1
136 1 14 ALA MB 1 15 VAL H 3.600 . 4.600 2.445 2.336 2.544 . 0 0 "[ . 1]" 1
137 1 14 ALA MB 1 15 VAL HA 4.200 . 5.400 3.859 3.808 3.909 . 0 0 "[ . 1]" 1
138 1 14 ALA MB 1 15 VAL HB 4.200 . 5.400 4.554 4.325 5.264 . 0 0 "[ . 1]" 1
139 1 14 ALA MB 1 15 VAL MG1 4.200 . 5.400 4.784 3.774 5.057 . 0 0 "[ . 1]" 1
140 1 14 ALA MB 1 15 VAL MG2 4.200 . 5.400 3.073 2.858 3.350 . 0 0 "[ . 1]" 1
141 1 14 ALA MB 1 54 ILE MD 4.200 . 5.400 6.179 5.825 6.480 1.080 5 9 "[****+** -*]" 1
142 1 14 ALA MB 1 121 ILE MD 4.200 . 5.400 5.650 5.475 5.765 0.365 7 0 "[ . 1]" 1
143 1 15 VAL H 1 15 VAL HB 4.200 . 5.400 2.572 2.253 3.542 . 0 0 "[ . 1]" 1
144 1 15 VAL H 1 15 VAL MG1 3.000 . 3.800 3.707 3.110 3.829 0.029 1 0 "[ . 1]" 1
145 1 15 VAL H 1 15 VAL MG2 4.200 . 5.400 2.165 1.788 2.438 0.212 4 0 "[ . 1]" 1
146 1 15 VAL H 1 16 ALA H 3.600 . 4.600 2.404 2.289 2.651 . 0 0 "[ . 1]" 1
147 1 15 VAL H 1 17 ARG H 4.200 . 5.400 3.609 3.539 3.733 . 0 0 "[ . 1]" 1
148 1 15 VAL HA 1 16 ALA H 4.200 . 5.400 3.407 3.321 3.518 . 0 0 "[ . 1]" 1
149 1 15 VAL HA 1 17 ARG H 4.200 . 5.400 3.563 3.330 3.820 . 0 0 "[ . 1]" 1
150 1 15 VAL HA 1 18 THR H 4.200 . 5.400 2.863 2.669 3.199 . 0 0 "[ . 1]" 1
151 1 15 VAL HA 1 18 THR HB 4.200 . 5.400 3.733 3.285 4.149 . 0 0 "[ . 1]" 1
152 1 15 VAL HA 1 18 THR MG 4.200 . 5.400 4.873 4.567 5.016 . 0 0 "[ . 1]" 1
153 1 15 VAL HA 1 19 LEU H 4.200 . 5.400 4.863 4.521 5.100 . 0 0 "[ . 1]" 1
154 1 15 VAL HB 1 16 ALA H 2.500 . 2.900 2.729 2.382 3.291 0.391 4 0 "[ . 1]" 1
155 1 15 VAL MG1 1 16 ALA H 3.600 . 4.600 3.553 3.103 4.134 . 0 0 "[ . 1]" 1
156 1 15 VAL MG1 1 17 ARG H 4.200 . 5.400 4.661 4.463 4.935 . 0 0 "[ . 1]" 1
157 1 15 VAL MG1 1 18 THR HB 4.200 . 5.400 3.598 3.282 4.399 . 0 0 "[ . 1]" 1
158 1 15 VAL MG1 1 18 THR MG 4.200 . 5.400 4.425 4.099 4.938 . 0 0 "[ . 1]" 1
159 1 15 VAL MG2 1 16 ALA HA 4.200 . 5.400 5.344 4.107 5.547 0.147 10 0 "[ . 1]" 1
160 1 15 VAL MG2 1 18 THR HB 4.200 . 5.400 5.086 4.908 5.307 . 0 0 "[ . 1]" 1
161 1 15 VAL MG2 1 18 THR MG 4.200 . 5.400 5.551 5.406 5.934 0.534 4 1 "[ +. 1]" 1
162 1 16 ALA H 1 16 ALA HA 3.000 . 3.800 2.881 2.850 2.915 . 0 0 "[ . 1]" 1
163 1 16 ALA H 1 16 ALA MB 3.000 . 3.800 2.257 2.126 2.313 . 0 0 "[ . 1]" 1
164 1 16 ALA H 1 17 ARG H 3.000 . 3.800 2.494 2.369 2.658 . 0 0 "[ . 1]" 1
165 1 16 ALA H 1 17 ARG HA 4.200 . 5.400 5.155 5.023 5.249 . 0 0 "[ . 1]" 1
166 1 16 ALA H 1 18 THR H 4.200 . 5.400 4.097 3.886 4.553 . 0 0 "[ . 1]" 1
167 1 16 ALA HA 1 17 ARG H 4.200 . 5.400 3.466 3.427 3.515 . 0 0 "[ . 1]" 1
168 1 16 ALA HA 1 19 LEU H 4.200 . 5.400 3.656 2.344 4.010 . 0 0 "[ . 1]" 1
169 1 16 ALA HA 1 19 LEU HB2 4.200 . 5.400 3.773 2.169 4.952 . 0 0 "[ . 1]" 1
170 1 16 ALA HA 1 19 LEU HB3 4.200 . 5.400 4.983 3.303 5.548 0.148 3 0 "[ . 1]" 1
171 1 16 ALA MB 1 17 ARG H 3.000 . 3.800 2.746 2.476 2.997 . 0 0 "[ . 1]" 1
172 1 16 ALA MB 1 20 ALA MB 4.200 . 5.400 3.319 2.860 4.266 . 0 0 "[ . 1]" 1
173 1 16 ALA MB 1 44 ALA MB 4.200 . 5.400 4.649 3.050 5.976 0.576 4 1 "[ +. 1]" 1
174 1 16 ALA MB 1 106 THR MG 4.200 . 5.400 5.116 4.226 5.656 0.256 7 0 "[ . 1]" 1
175 1 16 ALA MB 1 119 VAL MG1 4.200 . 5.400 3.555 2.993 4.108 . 0 0 "[ . 1]" 1
176 1 16 ALA MB 1 119 VAL MG2 4.200 . 5.400 4.546 2.197 5.335 . 0 0 "[ . 1]" 1
177 1 16 ALA MB 1 121 ILE MD 4.200 . 5.400 2.684 1.898 3.423 0.102 2 0 "[ . 1]" 1
178 1 17 ARG H 1 17 ARG HB2 3.000 . 3.800 3.445 2.248 3.710 . 0 0 "[ . 1]" 1
179 1 17 ARG H 1 17 ARG HB3 3.000 . 3.800 2.433 2.189 3.555 . 0 0 "[ . 1]" 1
180 1 17 ARG H 1 17 ARG HD2 4.200 . 5.400 4.976 4.190 5.439 0.039 9 0 "[ . 1]" 1
181 1 17 ARG H 1 17 ARG HD3 4.200 . 5.400 4.759 4.071 5.404 0.004 6 0 "[ . 1]" 1
182 1 17 ARG H 1 17 ARG QG 2.500 . 2.900 3.079 2.844 3.220 0.320 8 0 "[ . 1]" 1
183 1 17 ARG H 1 18 THR H 3.000 . 3.800 2.781 2.689 2.866 . 0 0 "[ . 1]" 1
184 1 17 ARG H 1 19 LEU H 4.200 . 5.400 4.473 4.058 4.817 . 0 0 "[ . 1]" 1
185 1 17 ARG HA 1 18 THR H 4.200 . 5.400 3.627 3.562 3.691 . 0 0 "[ . 1]" 1
186 1 17 ARG HA 1 20 ALA MB 4.200 . 5.400 2.247 2.062 2.484 . 0 0 "[ . 1]" 1
187 1 17 ARG HB3 1 18 THR H 4.200 . 5.400 4.045 3.937 4.144 . 0 0 "[ . 1]" 1
188 1 17 ARG QG 1 18 THR H 4.200 . 5.400 2.942 2.088 4.730 . 0 0 "[ . 1]" 1
189 1 18 THR H 1 18 THR HB 4.200 . 5.400 2.487 2.360 2.748 . 0 0 "[ . 1]" 1
190 1 18 THR H 1 18 THR MG 4.200 . 5.400 3.799 3.697 3.845 . 0 0 "[ . 1]" 1
191 1 18 THR H 1 19 LEU H 3.600 . 4.600 2.505 2.397 2.698 . 0 0 "[ . 1]" 1
192 1 18 THR H 1 20 ALA H 4.200 . 5.400 3.838 3.699 4.074 . 0 0 "[ . 1]" 1
193 1 18 THR H 1 44 ALA H 4.200 . 5.400 6.540 6.106 6.758 1.358 3 10 [*-+*******] 1
194 1 18 THR HA 1 19 LEU H 3.600 . 4.600 3.501 3.461 3.579 . 0 0 "[ . 1]" 1
195 1 18 THR HA 1 21 ASP HB2 4.200 . 5.400 3.661 3.015 4.044 . 0 0 "[ . 1]" 1
196 1 18 THR HA 1 21 ASP HB3 4.200 . 5.400 3.294 2.743 4.718 . 0 0 "[ . 1]" 1
197 1 18 THR MG 1 21 ASP HB2 4.200 . 5.400 5.066 3.846 5.533 0.133 6 0 "[ . 1]" 1
198 1 18 THR MG 1 21 ASP HB3 4.200 . 5.400 4.322 3.473 5.440 0.040 3 0 "[ . 1]" 1
199 1 18 THR MG 1 22 SER QB 4.200 . 5.400 4.395 3.896 4.537 . 0 0 "[ . 1]" 1
200 1 19 LEU H 1 19 LEU HB2 3.000 . 3.800 2.328 2.097 3.691 . 0 0 "[ . 1]" 1
201 1 19 LEU H 1 19 LEU HB3 3.000 . 3.800 3.323 2.435 3.542 . 0 0 "[ . 1]" 1
202 1 19 LEU H 1 19 LEU MD1 3.600 . 4.600 3.478 2.215 4.215 . 0 0 "[ . 1]" 1
203 1 19 LEU H 1 19 LEU MD2 4.200 . 5.400 3.479 1.959 4.110 0.041 1 0 "[ . 1]" 1
204 1 19 LEU H 1 19 LEU HG 3.000 . 3.800 3.226 2.351 4.119 0.319 4 0 "[ . 1]" 1
205 1 19 LEU H 1 20 ALA H 3.000 . 3.800 2.498 2.363 2.636 . 0 0 "[ . 1]" 1
206 1 19 LEU H 1 20 ALA MB 4.200 . 5.400 4.283 4.028 4.420 . 0 0 "[ . 1]" 1
207 1 19 LEU H 1 21 ASP H 4.200 . 5.400 3.639 3.469 4.036 . 0 0 "[ . 1]" 1
208 1 19 LEU HA 1 20 ALA H 4.200 . 5.400 3.564 3.346 3.658 . 0 0 "[ . 1]" 1
209 1 19 LEU HA 1 21 ASP H 4.200 . 5.400 3.570 3.298 4.269 . 0 0 "[ . 1]" 1
210 1 19 LEU HA 1 22 SER H 4.200 . 5.400 3.220 2.677 5.072 . 0 0 "[ . 1]" 1
211 1 19 LEU HB2 1 20 ALA H 4.200 . 5.400 3.033 2.751 4.204 . 0 0 "[ . 1]" 1
212 1 19 LEU HB3 1 20 ALA H 4.200 . 5.400 3.480 2.153 3.817 . 0 0 "[ . 1]" 1
213 1 19 LEU MD1 1 20 ALA H 3.600 . 4.600 4.417 3.337 4.772 0.172 8 0 "[ . 1]" 1
214 1 19 LEU MD2 1 20 ALA H 4.200 . 5.400 4.426 3.442 5.057 . 0 0 "[ . 1]" 1
215 1 20 ALA H 1 20 ALA MB 4.200 . 5.400 2.274 2.211 2.346 . 0 0 "[ . 1]" 1
216 1 20 ALA H 1 21 ASP H 4.200 . 5.400 2.468 2.254 2.794 . 0 0 "[ . 1]" 1
217 1 20 ALA H 1 22 SER H 4.200 . 5.400 4.228 3.992 5.046 . 0 0 "[ . 1]" 1
218 1 20 ALA HA 1 21 ASP H 4.200 . 5.400 3.332 3.198 3.634 . 0 0 "[ . 1]" 1
219 1 20 ALA HA 1 21 ASP HA 4.200 . 5.400 4.667 4.509 4.790 . 0 0 "[ . 1]" 1
220 1 20 ALA HA 1 22 SER H 4.200 . 5.400 3.924 3.548 4.804 . 0 0 "[ . 1]" 1
221 1 20 ALA MB 1 21 ASP H 4.200 . 5.400 3.039 2.897 3.328 . 0 0 "[ . 1]" 1
222 1 20 ALA MB 1 21 ASP HA 4.200 . 5.400 4.033 3.872 4.155 . 0 0 "[ . 1]" 1
223 1 20 ALA MB 1 22 SER H 4.200 . 5.400 4.607 4.405 5.140 . 0 0 "[ . 1]" 1
224 1 20 ALA MB 1 25 ILE MD 4.200 . 5.400 3.915 2.940 4.995 . 0 0 "[ . 1]" 1
225 1 20 ALA MB 1 56 VAL MG1 4.200 . 5.400 4.537 3.428 5.746 0.346 2 0 "[ . 1]" 1
226 1 20 ALA MB 1 56 VAL MG2 4.200 . 5.400 3.356 2.261 5.438 0.038 2 0 "[ . 1]" 1
227 1 21 ASP H 1 21 ASP HB2 4.200 . 5.400 2.825 2.424 3.027 . 0 0 "[ . 1]" 1
228 1 21 ASP H 1 21 ASP HB3 4.200 . 5.400 2.822 2.513 3.749 . 0 0 "[ . 1]" 1
229 1 21 ASP H 1 22 SER H 3.600 . 4.600 2.494 2.404 2.596 . 0 0 "[ . 1]" 1
230 1 21 ASP H 1 41 ILE H 4.200 . 5.400 6.384 5.763 6.824 1.424 4 9 [**-+.*****] 1
231 1 21 ASP HA 1 22 SER H 4.200 . 5.400 3.387 3.326 3.509 . 0 0 "[ . 1]" 1
232 1 21 ASP HB2 1 22 SER H 4.200 . 5.400 4.153 3.114 4.437 . 0 0 "[ . 1]" 1
233 1 21 ASP HB3 1 22 SER H 4.200 . 5.400 3.495 3.066 4.187 . 0 0 "[ . 1]" 1
234 1 22 SER H 1 22 SER QB 3.600 . 3.800 1.960 1.887 2.003 0.113 8 0 "[ . 1]" 1
235 1 22 SER HA 1 23 PRO HB3 4.200 . 5.400 4.545 4.436 4.654 . 0 0 "[ . 1]" 1
236 1 22 SER HA 1 23 PRO HD2 4.200 . 5.400 3.661 3.513 3.853 . 0 0 "[ . 1]" 1
237 1 22 SER HA 1 23 PRO HD3 4.200 . 5.400 2.596 2.363 2.749 . 0 0 "[ . 1]" 1
238 1 22 SER HA 1 23 PRO HG2 4.200 . 5.400 5.323 5.149 5.448 0.048 6 0 "[ . 1]" 1
239 1 22 SER HA 1 23 PRO HG3 4.200 . 5.400 4.702 4.458 4.891 . 0 0 "[ . 1]" 1
240 1 22 SER QB 1 23 PRO HD2 4.200 . 5.400 2.177 2.086 2.233 . 0 0 "[ . 1]" 1
241 1 22 SER QB 1 23 PRO HG2 4.200 . 5.400 4.299 4.240 4.340 . 0 0 "[ . 1]" 1
242 1 22 SER QB 1 23 PRO HG3 4.200 . 5.400 4.621 4.503 4.677 . 0 0 "[ . 1]" 1
243 1 22 SER QB 1 25 ILE HA 4.200 . 5.400 5.284 5.037 5.532 0.132 9 0 "[ . 1]" 1
244 1 22 SER QB 1 25 ILE HB 4.200 . 5.400 4.206 3.768 4.515 . 0 0 "[ . 1]" 1
245 1 22 SER QB 1 25 ILE MG 4.200 . 5.400 4.851 4.734 4.961 . 0 0 "[ . 1]" 1
246 1 23 PRO HA 1 24 GLU H 4.200 . 5.400 3.525 3.465 3.575 . 0 0 "[ . 1]" 1
247 1 23 PRO HA 1 24 GLU HA 4.200 . 5.400 4.909 4.847 4.965 . 0 0 "[ . 1]" 1
248 1 23 PRO HA 1 25 ILE H 4.200 . 5.400 3.809 3.097 4.540 . 0 0 "[ . 1]" 1
249 1 23 PRO HA 1 26 ARG QD 4.200 . 5.400 5.425 5.174 5.588 0.188 6 0 "[ . 1]" 1
250 1 23 PRO HB2 1 24 GLU H 3.600 . 4.600 3.510 3.240 3.797 . 0 0 "[ . 1]" 1
251 1 23 PRO HB3 1 24 GLU H 4.200 . 5.400 4.026 3.899 4.192 . 0 0 "[ . 1]" 1
252 1 24 GLU H 1 24 GLU HA 3.000 . 3.800 2.900 2.778 3.013 . 0 0 "[ . 1]" 1
253 1 24 GLU H 1 24 GLU QB 2.500 . 2.900 2.623 2.470 2.875 . 0 0 "[ . 1]" 1
254 1 24 GLU H 1 25 ILE H 4.200 . 5.400 2.741 2.456 2.982 . 0 0 "[ . 1]" 1
255 1 24 GLU H 1 26 ARG H 4.200 . 5.400 5.377 5.088 5.547 0.147 10 0 "[ . 1]" 1
256 1 24 GLU HA 1 25 ILE H 3.600 . 4.600 3.345 2.815 3.615 . 0 0 "[ . 1]" 1
257 1 24 GLU HA 1 26 ARG H 4.200 . 5.400 5.416 5.279 5.682 0.282 5 0 "[ . 1]" 1
258 1 24 GLU HA 1 27 GLN QB 4.200 . 5.400 2.453 2.288 2.677 . 0 0 "[ . 1]" 1
259 1 24 GLU QB 1 25 ILE H 3.000 . 3.800 3.605 3.262 3.979 0.179 10 0 "[ . 1]" 1
260 1 24 GLU HG3 1 41 ILE MD 4.200 . 5.400 3.976 2.286 5.554 0.154 5 0 "[ . 1]" 1
261 1 24 GLU HG3 1 41 ILE MG 4.200 . 5.400 5.192 3.555 5.736 0.336 10 0 "[ . 1]" 1
262 1 25 ILE H 1 25 ILE HB 2.500 . 2.900 2.372 2.022 2.734 . 0 0 "[ . 1]" 1
263 1 25 ILE H 1 25 ILE MD 3.600 . 4.600 2.583 1.606 4.191 0.394 8 0 "[ . 1]" 1
264 1 25 ILE H 1 25 ILE HG12 3.000 . 3.800 3.178 1.672 3.986 0.328 5 0 "[ . 1]" 1
265 1 25 ILE H 1 25 ILE HG13 4.200 . 5.400 3.538 1.920 4.367 0.080 4 0 "[ . 1]" 1
266 1 25 ILE H 1 25 ILE MG 3.600 . 4.600 3.644 3.108 3.830 . 0 0 "[ . 1]" 1
267 1 25 ILE H 1 26 ARG H 3.000 . 3.800 3.163 2.674 3.623 . 0 0 "[ . 1]" 1
268 1 25 ILE H 1 27 GLN H 4.200 . 5.400 3.599 2.693 4.123 . 0 0 "[ . 1]" 1
269 1 25 ILE HA 1 26 ARG H 4.200 . 5.400 3.518 3.467 3.577 . 0 0 "[ . 1]" 1
270 1 25 ILE HA 1 28 GLY H 4.200 . 5.400 3.333 3.072 3.555 . 0 0 "[ . 1]" 1
271 1 25 ILE HB 1 26 ARG H 3.000 . 3.800 2.019 1.680 3.107 0.320 5 0 "[ . 1]" 1
272 1 25 ILE MD 1 38 ILE MD 4.200 . 5.400 4.482 3.599 5.860 0.460 4 0 "[ . 1]" 1
273 1 25 ILE MG 1 27 GLN H 4.200 . 5.400 4.334 3.753 4.633 . 0 0 "[ . 1]" 1
274 1 25 ILE MG 1 29 LEU MD1 4.200 . 5.400 3.401 2.546 4.644 . 0 0 "[ . 1]" 1
275 1 25 ILE MG 1 29 LEU MD2 4.200 . 5.400 3.739 2.823 4.752 . 0 0 "[ . 1]" 1
276 1 25 ILE MG 1 29 LEU HG 4.200 . 5.400 5.482 4.807 5.912 0.512 9 1 "[ . +1]" 1
277 1 25 ILE MG 1 56 VAL MG1 4.200 . 5.400 2.570 2.010 3.909 . 0 0 "[ . 1]" 1
278 1 25 ILE MG 1 116 ILE MD 4.200 . 5.400 5.727 5.458 5.975 0.575 3 1 "[ + . 1]" 1
279 1 26 ARG H 1 26 ARG HB2 2.500 . 2.900 2.476 2.343 2.716 . 0 0 "[ . 1]" 1
280 1 26 ARG H 1 26 ARG HB3 2.500 . 2.900 2.716 2.494 2.864 . 0 0 "[ . 1]" 1
281 1 26 ARG H 1 26 ARG HD2 4.200 . 5.400 4.969 4.781 5.109 . 0 0 "[ . 1]" 1
282 1 26 ARG H 1 26 ARG HD3 4.200 . 5.400 4.989 4.902 5.122 . 0 0 "[ . 1]" 1
283 1 26 ARG H 1 26 ARG QG 3.000 . 3.800 3.962 3.923 3.991 0.191 10 0 "[ . 1]" 1
284 1 26 ARG H 1 27 GLN H 3.600 . 4.600 2.839 2.742 2.908 . 0 0 "[ . 1]" 1
285 1 26 ARG H 1 28 GLY H 4.200 . 5.400 4.069 3.839 4.184 . 0 0 "[ . 1]" 1
286 1 26 ARG HA 1 27 GLN H 4.200 . 5.400 3.513 3.456 3.575 . 0 0 "[ . 1]" 1
287 1 26 ARG HA 1 27 GLN HA 4.200 . 5.400 4.674 4.582 4.724 . 0 0 "[ . 1]" 1
288 1 26 ARG HA 1 28 GLY H 4.200 . 5.400 3.975 3.760 4.133 . 0 0 "[ . 1]" 1
289 1 26 ARG HA 1 29 LEU HB2 4.200 . 5.400 2.868 2.349 3.610 . 0 0 "[ . 1]" 1
290 1 26 ARG HA 1 29 LEU HB3 4.200 . 5.400 2.955 2.185 4.053 . 0 0 "[ . 1]" 1
291 1 26 ARG HA 1 29 LEU MD1 4.200 . 5.400 3.567 2.949 4.518 . 0 0 "[ . 1]" 1
292 1 26 ARG HA 1 29 LEU MD2 4.200 . 5.400 2.608 2.203 3.248 . 0 0 "[ . 1]" 1
293 1 26 ARG HA 1 116 ILE MD 4.200 . 5.400 5.311 4.959 5.558 0.158 8 0 "[ . 1]" 1
294 1 26 ARG HB2 1 27 GLN H 4.200 . 5.400 3.955 3.795 4.211 . 0 0 "[ . 1]" 1
295 1 26 ARG HB3 1 27 GLN H 4.200 . 5.400 2.796 2.615 3.037 . 0 0 "[ . 1]" 1
296 1 26 ARG HB3 1 28 GLY H 4.200 . 5.400 4.992 4.717 5.255 . 0 0 "[ . 1]" 1
297 1 26 ARG QD 1 108 ILE MG 4.200 . 5.400 5.232 4.912 5.447 0.047 2 0 "[ . 1]" 1
298 1 26 ARG QD 1 116 ILE MD 4.200 . 5.400 5.312 4.909 5.459 0.059 1 0 "[ . 1]" 1
299 1 26 ARG QG 1 27 GLN H 4.200 . 5.400 3.796 3.535 3.950 . 0 0 "[ . 1]" 1
300 1 27 GLN H 1 27 GLN QB 3.600 . 4.600 2.364 2.313 2.433 . 0 0 "[ . 1]" 1
301 1 27 GLN H 1 27 GLN HG2 4.200 . 5.400 4.604 4.535 4.656 . 0 0 "[ . 1]" 1
302 1 27 GLN H 1 27 GLN HG3 3.600 . 4.600 4.501 4.453 4.553 . 0 0 "[ . 1]" 1
303 1 27 GLN H 1 28 GLY H 3.600 . 4.600 2.595 2.518 2.667 . 0 0 "[ . 1]" 1
304 1 27 GLN H 1 29 LEU H 4.200 . 5.400 3.986 3.607 4.284 . 0 0 "[ . 1]" 1
305 1 27 GLN HA 1 28 GLY H 3.000 . 3.800 3.531 3.468 3.593 . 0 0 "[ . 1]" 1
306 1 27 GLN HA 1 30 GLN QB 4.200 . 5.400 2.415 2.239 2.612 . 0 0 "[ . 1]" 1
307 1 27 GLN HA 1 30 GLN HB3 4.200 . 5.400 3.116 2.385 4.210 . 0 0 "[ . 1]" 1
308 1 27 GLN QB 1 28 GLY H 4.200 . 5.400 3.226 3.130 3.368 . 0 0 "[ . 1]" 1
309 1 27 GLN QB 1 29 LEU H 4.200 . 5.400 4.775 4.412 5.118 . 0 0 "[ . 1]" 1
310 1 27 GLN HG2 1 28 GLY H 4.200 . 5.400 4.524 4.408 4.656 . 0 0 "[ . 1]" 1
311 1 27 GLN HG3 1 28 GLY H 4.200 . 5.400 4.690 4.488 4.819 . 0 0 "[ . 1]" 1
312 1 27 GLN HG3 1 30 GLN HA 4.200 . 5.400 5.824 5.684 6.005 0.605 9 2 "[ - . +1]" 1
313 1 28 GLY H 1 28 GLY HA2 3.000 . 3.800 2.409 2.362 2.443 . 0 0 "[ . 1]" 1
314 1 28 GLY H 1 28 GLY HA3 3.000 . 3.800 2.966 2.937 3.004 . 0 0 "[ . 1]" 1
315 1 28 GLY H 1 29 LEU H 3.600 . 4.600 1.981 1.823 2.062 0.177 10 0 "[ . 1]" 1
316 1 28 GLY H 1 29 LEU HB2 4.200 . 5.400 3.904 3.587 4.402 . 0 0 "[ . 1]" 1
317 1 28 GLY H 1 29 LEU HB3 4.200 . 5.400 4.317 3.357 5.441 0.041 2 0 "[ . 1]" 1
318 1 28 GLY H 1 29 LEU HG 4.200 . 5.400 5.955 5.763 6.130 0.730 3 7 "[ +****- *]" 1
319 1 28 GLY H 1 30 GLN H 4.200 . 5.400 3.315 3.013 3.640 . 0 0 "[ . 1]" 1
320 1 28 GLY HA2 1 29 LEU H 3.600 . 4.600 2.802 2.529 3.212 . 0 0 "[ . 1]" 1
321 1 28 GLY HA2 1 30 GLN H 4.200 . 5.400 4.304 3.884 4.809 . 0 0 "[ . 1]" 1
322 1 28 GLY HA2 1 31 LYS QB 4.200 . 5.400 4.290 3.482 5.278 . 0 0 "[ . 1]" 1
323 1 28 GLY HA3 1 29 LEU H 4.200 . 5.400 3.383 3.136 3.496 . 0 0 "[ . 1]" 1
324 1 28 GLY HA3 1 30 GLN H 4.200 . 5.400 3.773 3.439 4.150 . 0 0 "[ . 1]" 1
325 1 28 GLY HA3 1 31 LYS QB 4.200 . 5.400 2.969 2.014 4.109 . 0 0 "[ . 1]" 1
326 1 29 LEU H 1 29 LEU HB2 3.000 . 3.800 2.384 2.092 2.963 . 0 0 "[ . 1]" 1
327 1 29 LEU H 1 29 LEU HB3 3.600 . 4.600 2.808 2.146 3.546 . 0 0 "[ . 1]" 1
328 1 29 LEU H 1 29 LEU MD1 4.200 . 5.400 3.391 1.876 4.468 0.124 2 0 "[ . 1]" 1
329 1 29 LEU H 1 29 LEU MD2 4.200 . 5.400 3.959 3.525 4.299 . 0 0 "[ . 1]" 1
330 1 29 LEU H 1 29 LEU HG 4.200 . 5.400 4.191 3.841 4.403 . 0 0 "[ . 1]" 1
331 1 29 LEU H 1 30 GLN H 3.000 . 3.800 2.413 1.756 2.744 0.244 10 0 "[ . 1]" 1
332 1 29 LEU H 1 31 LYS H 4.200 . 5.400 3.815 3.474 4.248 . 0 0 "[ . 1]" 1
333 1 29 LEU HA 1 30 GLN H 4.200 . 5.400 3.455 3.389 3.535 . 0 0 "[ . 1]" 1
334 1 29 LEU HA 1 31 LYS H 4.200 . 5.400 3.282 2.990 3.449 . 0 0 "[ . 1]" 1
335 1 29 LEU HB2 1 30 GLN H 4.200 . 5.400 3.445 2.777 4.081 . 0 0 "[ . 1]" 1
336 1 29 LEU HB3 1 30 GLN H 4.200 . 5.400 2.885 2.162 3.696 . 0 0 "[ . 1]" 1
337 1 29 LEU MD1 1 38 ILE MD 4.200 . 5.400 5.185 4.845 5.722 0.322 5 0 "[ . 1]" 1
338 1 29 LEU MD1 1 56 VAL MG1 4.200 . 5.400 2.269 1.942 2.791 0.058 9 0 "[ . 1]" 1
339 1 29 LEU MD1 1 56 VAL MG2 4.200 . 5.400 2.893 1.923 4.369 0.077 5 0 "[ . 1]" 1
340 1 29 LEU MD1 1 58 ASP HA 4.200 . 5.400 2.799 2.098 3.753 . 0 0 "[ . 1]" 1
341 1 29 LEU MD1 1 58 ASP HB2 4.200 . 5.400 3.845 2.563 4.787 . 0 0 "[ . 1]" 1
342 1 29 LEU MD1 1 58 ASP HB3 4.200 . 5.400 4.806 3.818 5.425 0.025 2 0 "[ . 1]" 1
343 1 29 LEU MD1 1 59 MET H 4.200 . 5.400 5.108 4.361 5.890 0.490 5 0 "[ . 1]" 1
344 1 29 LEU MD1 1 64 TYR QD 4.200 . 5.400 5.257 3.908 5.520 0.120 6 0 "[ . 1]" 1
345 1 29 LEU MD1 1 64 TYR QE 4.200 . 5.400 4.211 2.213 5.647 0.247 4 0 "[ . 1]" 1
346 1 29 LEU MD1 1 108 ILE MD 4.200 . 5.400 2.505 2.021 3.166 . 0 0 "[ . 1]" 1
347 1 29 LEU MD1 1 108 ILE MG 4.200 . 5.400 3.490 2.773 4.387 . 0 0 "[ . 1]" 1
348 1 29 LEU MD1 1 116 ILE MD 4.200 . 5.400 3.894 3.171 4.876 . 0 0 "[ . 1]" 1
349 1 29 LEU MD2 1 56 VAL MG2 4.200 . 5.400 4.210 2.620 5.450 0.050 2 0 "[ . 1]" 1
350 1 29 LEU MD2 1 58 ASP HA 4.200 . 5.400 3.384 2.664 4.177 . 0 0 "[ . 1]" 1
351 1 29 LEU MD2 1 116 ILE MD 4.200 . 5.400 2.595 2.041 3.036 . 0 0 "[ . 1]" 1
352 1 29 LEU MD2 1 116 ILE MG 4.200 . 5.400 5.305 4.921 5.518 0.118 5 0 "[ . 1]" 1
353 1 29 LEU HG 1 58 ASP HA 4.200 . 5.400 2.751 2.207 3.430 . 0 0 "[ . 1]" 1
354 1 29 LEU HG 1 59 MET H 4.200 . 5.400 5.131 4.504 5.639 0.239 8 0 "[ . 1]" 1
355 1 30 GLN H 1 30 GLN HB2 4.200 . 5.400 2.472 2.271 2.642 . 0 0 "[ . 1]" 1
356 1 30 GLN H 1 30 GLN HB3 3.000 . 3.800 2.908 2.587 3.674 . 0 0 "[ . 1]" 1
357 1 30 GLN H 1 30 GLN HG2 4.200 . 5.400 4.513 3.689 4.838 . 0 0 "[ . 1]" 1
358 1 30 GLN H 1 30 GLN HG3 4.200 . 5.400 4.278 2.537 4.705 . 0 0 "[ . 1]" 1
359 1 30 GLN H 1 31 LYS H 3.600 . 4.600 2.778 2.605 3.084 . 0 0 "[ . 1]" 1
360 1 30 GLN HA 1 31 LYS H 4.200 . 5.400 3.324 3.233 3.464 . 0 0 "[ . 1]" 1
361 1 30 GLN HB3 1 31 LYS H 4.200 . 5.400 3.713 3.405 4.379 . 0 0 "[ . 1]" 1
362 1 31 LYS H 1 31 LYS QB 4.200 . 5.400 2.585 2.439 2.704 . 0 0 "[ . 1]" 1
363 1 31 LYS H 1 31 LYS QD 4.200 . 5.400 4.438 4.079 4.813 . 0 0 "[ . 1]" 1
364 1 31 LYS HA 1 32 LYS H 2.500 . 2.900 2.863 2.598 3.144 0.244 4 0 "[ . 1]" 1
365 1 31 LYS QB 1 32 LYS H 3.000 . 3.800 3.417 2.158 4.033 0.233 9 0 "[ . 1]" 1
366 1 31 LYS QD 1 32 LYS H 3.000 . 3.800 3.974 3.664 4.529 0.729 5 1 "[ + 1]" 1
367 1 32 LYS H 1 32 LYS QB 2.500 . 2.900 2.827 2.561 2.937 0.037 7 0 "[ . 1]" 1
368 1 32 LYS H 1 32 LYS HD2 4.200 . 5.400 4.175 2.155 5.250 . 0 0 "[ . 1]" 1
369 1 32 LYS H 1 32 LYS HD3 3.600 . 4.600 4.503 3.895 4.716 0.116 5 0 "[ . 1]" 1
370 1 32 LYS H 1 32 LYS HE2 4.200 . 5.400 5.264 4.764 5.652 0.252 8 0 "[ . 1]" 1
371 1 32 LYS H 1 58 ASP H 4.200 . 5.400 6.031 5.676 6.520 1.120 1 7 "[+***** - 1]" 1
372 1 32 LYS HA 1 33 PRO HD2 4.200 . 5.400 2.377 2.253 2.584 . 0 0 "[ . 1]" 1
373 1 32 LYS HA 1 33 PRO HD3 4.200 . 5.400 2.590 2.319 3.052 . 0 0 "[ . 1]" 1
374 1 32 LYS HA 1 33 PRO QG 4.200 . 5.400 4.100 4.012 4.191 . 0 0 "[ . 1]" 1
375 1 32 LYS QD 1 33 PRO HA 4.200 . 5.400 4.735 4.352 5.319 . 0 0 "[ . 1]" 1
376 1 32 LYS QD 1 33 PRO HB3 4.200 . 5.400 5.350 4.560 5.497 0.097 1 0 "[ . 1]" 1
377 1 32 LYS QD 1 33 PRO HD2 4.200 . 5.400 3.783 2.906 3.984 . 0 0 "[ . 1]" 1
378 1 32 LYS QD 1 33 PRO HD3 4.200 . 5.400 4.832 4.185 5.050 . 0 0 "[ . 1]" 1
379 1 33 PRO HA 1 35 GLU H 4.200 . 5.400 5.134 3.640 5.880 0.480 3 0 "[ . 1]" 1
380 1 33 PRO HA 1 36 SER H 4.200 . 5.400 3.935 3.641 4.173 . 0 0 "[ . 1]" 1
381 1 33 PRO HA 1 36 SER HA 4.200 . 5.400 5.579 5.421 5.850 0.450 4 0 "[ . 1]" 1
382 1 33 PRO HA 1 36 SER HB2 4.200 . 5.400 3.496 2.824 4.554 . 0 0 "[ . 1]" 1
383 1 33 PRO HA 1 36 SER HB3 4.200 . 5.400 4.048 2.963 5.438 0.038 2 0 "[ . 1]" 1
384 1 33 PRO HA 1 64 TYR HA 4.200 . 5.400 3.734 2.989 4.807 . 0 0 "[ . 1]" 1
385 1 33 PRO HA 1 64 TYR QD 4.200 . 5.400 3.070 2.338 3.692 . 0 0 "[ . 1]" 1
386 1 33 PRO HA 1 64 TYR QE 4.200 . 5.400 2.941 2.196 3.442 . 0 0 "[ . 1]" 1
387 1 33 PRO HA 1 72 ILE MG 4.200 . 5.400 5.864 5.621 6.256 0.856 4 4 "[-* +* 1]" 1
388 1 33 PRO HB2 1 64 TYR HA 4.200 . 5.400 4.819 4.313 5.462 0.062 2 0 "[ . 1]" 1
389 1 33 PRO HB2 1 72 ILE MG 4.200 . 5.400 4.798 4.487 5.376 . 0 0 "[ . 1]" 1
390 1 33 PRO HB3 1 64 TYR HA 4.200 . 5.400 3.367 2.843 4.062 . 0 0 "[ . 1]" 1
391 1 33 PRO HB3 1 64 TYR QD 4.200 . 5.400 3.277 2.649 3.878 . 0 0 "[ . 1]" 1
392 1 33 PRO HB3 1 72 ILE MG 4.200 . 5.400 4.265 3.972 4.613 . 0 0 "[ . 1]" 1
393 1 33 PRO QG 1 64 TYR HA 4.200 . 5.400 4.793 3.885 5.509 0.109 4 0 "[ . 1]" 1
394 1 33 PRO QG 1 64 TYR QD 4.200 . 5.400 3.601 3.015 4.727 . 0 0 "[ . 1]" 1
395 1 33 PRO QG 1 72 ILE MG 4.200 . 5.400 4.948 4.577 5.392 . 0 0 "[ . 1]" 1
396 1 34 GLN H 1 34 GLN HB2 4.200 . 5.400 2.531 2.292 2.644 . 0 0 "[ . 1]" 1
397 1 34 GLN H 1 34 GLN HB3 4.200 . 5.400 3.437 2.698 3.659 . 0 0 "[ . 1]" 1
398 1 34 GLN H 1 34 GLN HG2 4.200 . 5.400 3.643 3.132 4.749 . 0 0 "[ . 1]" 1
399 1 34 GLN H 1 34 GLN HG3 4.200 . 5.400 2.814 1.958 4.541 0.042 8 0 "[ . 1]" 1
400 1 34 GLN H 1 35 GLU H 4.200 . 5.400 3.818 2.271 4.549 . 0 0 "[ . 1]" 1
401 1 34 GLN HA 1 35 GLU H 4.200 . 5.400 2.670 2.104 3.567 . 0 0 "[ . 1]" 1
402 1 34 GLN HA 1 36 SER H 4.200 . 5.400 3.912 3.549 4.574 . 0 0 "[ . 1]" 1
403 1 34 GLN HA 1 72 ILE MG 4.200 . 5.400 5.770 5.626 6.009 0.609 5 2 "[ + - 1]" 1
404 1 34 GLN HB3 1 35 GLU H 3.000 . 4.800 3.474 2.948 4.381 . 0 0 "[ . 1]" 1
405 1 35 GLU H 1 35 GLU HB2 2.500 . 2.900 2.873 2.348 3.092 0.192 10 0 "[ . 1]" 1
406 1 35 GLU H 1 35 GLU HB3 3.000 . 3.800 3.535 2.860 3.834 0.034 10 0 "[ . 1]" 1
407 1 35 GLU H 1 36 SER H 2.500 . 2.900 2.684 2.084 3.159 0.259 10 0 "[ . 1]" 1
408 1 35 GLU H 1 36 SER HA 4.200 . 5.400 5.203 4.523 5.581 0.181 10 0 "[ . 1]" 1
409 1 35 GLU H 1 37 GLY QA 4.200 . 6.400 6.434 6.151 6.741 0.341 2 0 "[ . 1]" 1
410 1 35 GLU HA 1 36 SER H 4.200 . 5.400 3.313 3.167 3.531 . 0 0 "[ . 1]" 1
411 1 35 GLU HA 1 36 SER HA 4.200 . 5.400 4.736 4.666 4.937 . 0 0 "[ . 1]" 1
412 1 35 GLU HB2 1 36 SER H 3.600 . 4.600 4.239 3.791 4.438 . 0 0 "[ . 1]" 1
413 1 35 GLU HB3 1 36 SER H 3.600 . 4.600 3.733 2.937 4.219 . 0 0 "[ . 1]" 1
414 1 36 SER H 1 36 SER HA 3.000 . 3.800 2.909 2.752 2.971 . 0 0 "[ . 1]" 1
415 1 36 SER H 1 36 SER QB 2.500 . 2.900 2.515 2.263 2.890 . 0 0 "[ . 1]" 1
416 1 36 SER H 1 37 GLY H 4.200 . 5.400 4.237 3.964 4.506 . 0 0 "[ . 1]" 1
417 1 36 SER H 1 38 ILE H 4.200 . 5.400 4.939 4.407 5.336 . 0 0 "[ . 1]" 1
418 1 36 SER HA 1 38 ILE H 4.200 . 5.400 4.510 3.811 5.221 . 0 0 "[ . 1]" 1
419 1 36 SER HA 1 64 TYR QD 4.200 . 5.400 4.920 4.425 5.442 0.042 2 0 "[ . 1]" 1
420 1 36 SER HA 1 64 TYR QE 4.200 . 5.400 4.443 3.908 4.803 . 0 0 "[ . 1]" 1
421 1 36 SER HB2 1 64 TYR QD 4.200 . 5.400 2.877 2.304 3.503 . 0 0 "[ . 1]" 1
422 1 36 SER HB2 1 64 TYR QE 4.200 . 5.400 2.864 2.572 3.461 . 0 0 "[ . 1]" 1
423 1 36 SER HB3 1 38 ILE MD 4.200 . 5.400 4.316 3.580 5.151 . 0 0 "[ . 1]" 1
424 1 36 SER HB3 1 64 TYR QD 4.200 . 5.400 2.957 2.214 4.371 . 0 0 "[ . 1]" 1
425 1 36 SER HB3 1 64 TYR QE 4.200 . 5.400 2.985 2.291 3.866 . 0 0 "[ . 1]" 1
426 1 37 GLY H 1 37 GLY QA 3.000 . 3.800 2.339 2.246 2.518 . 0 0 "[ . 1]" 1
427 1 37 GLY H 1 38 ILE H 4.200 . 5.400 3.320 1.744 3.909 0.256 4 0 "[ . 1]" 1
428 1 37 GLY QA 1 38 ILE H 3.000 . 3.800 2.611 2.288 3.100 . 0 0 "[ . 1]" 1
429 1 37 GLY QA 1 39 GLN H 4.200 . 5.400 2.913 2.761 3.085 . 0 0 "[ . 1]" 1
430 1 37 GLY QA 1 40 ALA H 4.200 . 5.400 4.507 4.146 4.808 . 0 0 "[ . 1]" 1
431 1 37 GLY QA 1 40 ALA MB 4.200 . 5.400 4.946 4.015 5.329 . 0 0 "[ . 1]" 1
432 1 38 ILE H 1 38 ILE HB 2.500 . 2.900 2.445 1.975 3.587 0.687 5 1 "[ + 1]" 1
433 1 38 ILE H 1 38 ILE MD 3.000 . 3.800 3.737 3.094 4.004 0.204 3 0 "[ . 1]" 1
434 1 38 ILE H 1 38 ILE QG 3.000 . 3.800 3.785 2.360 4.069 0.269 7 0 "[ . 1]" 1
435 1 38 ILE H 1 39 GLN H 3.600 . 4.600 2.781 2.555 3.024 . 0 0 "[ . 1]" 1
436 1 38 ILE H 1 40 ALA H 4.200 . 5.400 4.914 4.435 5.278 . 0 0 "[ . 1]" 1
437 1 38 ILE HA 1 41 ILE H 4.200 . 5.400 3.958 3.462 4.556 . 0 0 "[ . 1]" 1
438 1 38 ILE HA 1 41 ILE HB 4.200 . 5.400 4.963 3.639 5.736 0.336 3 0 "[ . 1]" 1
439 1 38 ILE HA 1 41 ILE MG 4.200 . 5.400 4.290 2.161 4.932 . 0 0 "[ . 1]" 1
440 1 38 ILE HA 1 42 ALA H 4.200 . 5.400 4.100 3.378 5.024 . 0 0 "[ . 1]" 1
441 1 38 ILE HB 1 39 GLN H 4.200 . 5.400 4.195 3.903 4.451 . 0 0 "[ . 1]" 1
442 1 38 ILE HB 1 40 ALA H 4.200 . 5.400 5.562 4.475 6.020 0.620 2 1 "[ + . 1]" 1
443 1 38 ILE HB 1 64 TYR HB2 4.200 . 5.400 3.878 3.279 4.899 . 0 0 "[ . 1]" 1
444 1 38 ILE HB 1 64 TYR HB3 4.200 . 5.400 2.769 2.170 4.695 . 0 0 "[ . 1]" 1
445 1 38 ILE MD 1 39 GLN H 4.200 . 5.400 4.635 2.258 5.080 . 0 0 "[ . 1]" 1
446 1 38 ILE MD 1 40 ALA H 4.200 . 5.400 5.139 3.615 5.678 0.278 4 0 "[ . 1]" 1
447 1 38 ILE MD 1 63 ARG HA 4.200 . 5.400 5.493 4.183 5.745 0.345 6 0 "[ . 1]" 1
448 1 38 ILE MD 1 64 TYR HA 4.200 . 5.400 4.433 3.957 4.657 . 0 0 "[ . 1]" 1
449 1 38 ILE MD 1 64 TYR HB2 4.200 . 5.400 2.282 2.132 2.825 . 0 0 "[ . 1]" 1
450 1 38 ILE MD 1 64 TYR HB3 4.200 . 5.400 2.343 2.204 2.690 . 0 0 "[ . 1]" 1
451 1 38 ILE MD 1 64 TYR QD 4.200 . 5.400 2.553 2.127 3.386 . 0 0 "[ . 1]" 1
452 1 38 ILE MD 1 64 TYR QE 4.200 . 5.400 4.116 3.642 5.190 . 0 0 "[ . 1]" 1
453 1 38 ILE MD 1 65 SER HA 4.200 . 5.400 5.176 3.268 5.709 0.309 9 0 "[ . 1]" 1
454 1 38 ILE MD 1 65 SER HB2 4.200 . 5.400 3.846 2.311 4.998 . 0 0 "[ . 1]" 1
455 1 38 ILE MD 1 65 SER HB3 4.200 . 5.400 4.854 3.660 5.360 . 0 0 "[ . 1]" 1
456 1 38 ILE QG 1 39 GLN H 4.200 . 5.400 4.217 2.740 4.640 . 0 0 "[ . 1]" 1
457 1 38 ILE QG 1 40 ALA H 4.200 . 5.400 4.836 4.129 5.410 0.010 2 0 "[ . 1]" 1
458 1 38 ILE QG 1 41 ILE HB 4.200 . 5.400 4.083 2.452 5.580 0.180 5 0 "[ . 1]" 1
459 1 38 ILE QG 1 63 ARG HA 4.200 . 5.400 5.769 5.609 6.019 0.619 5 1 "[ + 1]" 1
460 1 38 ILE QG 1 64 TYR HA 4.200 . 5.400 4.596 4.129 4.931 . 0 0 "[ . 1]" 1
461 1 38 ILE QG 1 64 TYR HB2 4.200 . 5.400 2.654 2.121 3.759 . 0 0 "[ . 1]" 1
462 1 38 ILE QG 1 64 TYR HB3 4.200 . 5.400 2.309 1.911 2.683 0.089 5 0 "[ . 1]" 1
463 1 38 ILE QG 1 64 TYR QD 4.200 . 5.400 3.433 1.743 3.702 0.257 5 0 "[ . 1]" 1
464 1 38 ILE QG 1 64 TYR QE 4.200 . 5.400 5.307 3.812 5.571 0.171 1 0 "[ . 1]" 1
465 1 38 ILE QG 1 65 SER HA 4.200 . 5.400 4.212 3.648 5.102 . 0 0 "[ . 1]" 1
466 1 38 ILE QG 1 65 SER HB2 4.200 . 5.400 2.710 2.068 4.878 . 0 0 "[ . 1]" 1
467 1 38 ILE QG 1 65 SER HB3 4.200 . 5.400 3.900 3.310 5.583 0.183 5 0 "[ . 1]" 1
468 1 39 GLN H 1 39 GLN HB2 3.600 . 4.600 2.517 2.280 3.524 . 0 0 "[ . 1]" 1
469 1 39 GLN H 1 39 GLN HB3 3.600 . 4.600 2.837 2.379 3.576 . 0 0 "[ . 1]" 1
470 1 39 GLN H 1 39 GLN QG 4.200 . 5.400 3.528 1.886 4.101 0.114 2 0 "[ . 1]" 1
471 1 39 GLN H 1 40 ALA H 4.200 . 5.400 2.909 2.386 3.178 . 0 0 "[ . 1]" 1
472 1 39 GLN H 1 41 ILE H 4.200 . 5.400 5.493 5.001 6.034 0.634 9 2 "[ . -+1]" 1
473 1 39 GLN HA 1 40 ALA H 4.200 . 5.400 3.551 3.384 3.628 . 0 0 "[ . 1]" 1
474 1 39 GLN HA 1 42 ALA H 4.200 . 5.400 3.919 2.975 4.263 . 0 0 "[ . 1]" 1
475 1 39 GLN HA 1 42 ALA MB 4.200 . 5.400 2.411 2.104 2.815 . 0 0 "[ . 1]" 1
476 1 39 GLN HA 1 43 GLU H 4.200 . 5.400 3.970 3.460 5.071 . 0 0 "[ . 1]" 1
477 1 39 GLN HB2 1 40 ALA H 3.600 . 4.600 3.859 2.479 4.260 . 0 0 "[ . 1]" 1
478 1 39 GLN HB3 1 40 ALA H 3.600 . 4.600 3.309 2.842 4.152 . 0 0 "[ . 1]" 1
479 1 39 GLN QG 1 40 ALA H 4.200 . 5.400 4.025 2.314 4.869 . 0 0 "[ . 1]" 1
480 1 40 ALA H 1 40 ALA MB 2.500 . 2.900 2.222 2.137 2.310 . 0 0 "[ . 1]" 1
481 1 40 ALA H 1 41 ILE H 3.600 . 4.600 3.095 2.527 3.512 . 0 0 "[ . 1]" 1
482 1 40 ALA H 1 42 ALA H 4.200 . 5.400 3.786 3.190 4.083 . 0 0 "[ . 1]" 1
483 1 40 ALA H 1 43 GLU H 4.200 . 5.400 4.157 3.820 4.457 . 0 0 "[ . 1]" 1
484 1 40 ALA H 1 44 ALA H 4.200 . 5.400 6.180 6.020 6.478 1.078 1 10 [+**-******] 1
485 1 40 ALA HA 1 41 ILE H 4.200 . 5.400 3.634 3.559 3.733 . 0 0 "[ . 1]" 1
486 1 40 ALA HA 1 42 ALA H 4.200 . 5.400 4.340 3.978 4.576 . 0 0 "[ . 1]" 1
487 1 40 ALA HA 1 43 GLU H 4.200 . 5.400 2.993 2.687 3.355 . 0 0 "[ . 1]" 1
488 1 40 ALA HA 1 43 GLU QB 4.200 . 5.400 2.300 1.984 3.461 0.016 7 0 "[ . 1]" 1
489 1 40 ALA HA 1 43 GLU HB3 4.200 . 5.400 3.006 2.181 4.837 . 0 0 "[ . 1]" 1
490 1 40 ALA MB 1 41 ILE H 3.000 . 3.800 2.183 1.889 2.503 0.111 6 0 "[ . 1]" 1
491 1 40 ALA MB 1 41 ILE HA 4.200 . 5.400 3.954 3.684 4.089 . 0 0 "[ . 1]" 1
492 1 41 ILE H 1 41 ILE HB 3.000 . 3.800 3.476 3.256 3.785 . 0 0 "[ . 1]" 1
493 1 41 ILE H 1 41 ILE MD 3.000 . 3.800 2.405 1.664 3.968 0.336 10 0 "[ . 1]" 1
494 1 41 ILE H 1 41 ILE QG 3.000 . 3.800 2.457 1.558 4.038 0.442 4 0 "[ . 1]" 1
495 1 41 ILE H 1 41 ILE MG 3.600 . 4.600 2.609 1.609 3.675 0.391 2 0 "[ . 1]" 1
496 1 41 ILE H 1 42 ALA H 3.000 . 3.800 3.192 2.201 3.695 . 0 0 "[ . 1]" 1
497 1 41 ILE H 1 43 GLU H 4.200 . 5.400 4.247 3.645 4.752 . 0 0 "[ . 1]" 1
498 1 41 ILE H 1 44 ALA H 4.200 . 5.400 4.801 4.612 4.944 . 0 0 "[ . 1]" 1
499 1 41 ILE HA 1 42 ALA H 4.200 . 5.400 3.629 3.512 3.687 . 0 0 "[ . 1]" 1
500 1 41 ILE HA 1 44 ALA H 4.200 . 5.400 3.441 2.892 3.860 . 0 0 "[ . 1]" 1
501 1 41 ILE HA 1 44 ALA MB 4.200 . 5.400 3.517 3.016 4.004 . 0 0 "[ . 1]" 1
502 1 41 ILE HB 1 42 ALA H 3.000 . 3.800 3.239 2.212 4.087 0.287 5 0 "[ . 1]" 1
503 1 41 ILE MD 1 42 ALA H 3.000 . 3.800 3.534 2.707 4.086 0.286 6 0 "[ . 1]" 1
504 1 41 ILE MD 1 43 GLU H 4.200 . 5.400 5.213 4.819 5.674 0.274 4 0 "[ . 1]" 1
505 1 41 ILE QG 1 42 ALA H 3.600 . 4.600 2.311 1.813 4.138 0.187 10 0 "[ . 1]" 1
506 1 41 ILE MG 1 42 ALA H 4.200 . 5.400 3.837 2.922 4.298 . 0 0 "[ . 1]" 1
507 1 42 ALA H 1 42 ALA HA 3.000 . 3.800 2.790 2.733 2.850 . 0 0 "[ . 1]" 1
508 1 42 ALA H 1 42 ALA MB 3.000 . 3.800 2.168 2.059 2.254 . 0 0 "[ . 1]" 1
509 1 42 ALA H 1 43 GLU H 3.000 . 3.800 2.719 2.471 3.123 . 0 0 "[ . 1]" 1
510 1 42 ALA H 1 44 ALA H 4.200 . 5.400 4.411 3.765 4.891 . 0 0 "[ . 1]" 1
511 1 42 ALA HA 1 43 GLU H 4.200 . 5.400 3.530 3.465 3.650 . 0 0 "[ . 1]" 1
512 1 42 ALA HA 1 45 VAL H 4.200 . 5.400 3.616 1.984 4.804 0.016 2 0 "[ . 1]" 1
513 1 42 ALA HA 1 45 VAL HB 4.200 . 5.400 3.747 2.261 5.277 . 0 0 "[ . 1]" 1
514 1 42 ALA HA 1 45 VAL MG2 4.200 . 5.400 3.378 2.147 4.773 . 0 0 "[ . 1]" 1
515 1 42 ALA HA 1 54 ILE MD 4.200 . 5.400 4.190 3.037 5.243 . 0 0 "[ . 1]" 1
516 1 42 ALA HA 1 54 ILE MG 4.200 . 5.400 2.291 1.879 3.473 0.121 7 0 "[ . 1]" 1
517 1 42 ALA MB 1 43 GLU H 3.600 . 4.600 2.370 2.013 2.961 . 0 0 "[ . 1]" 1
518 1 42 ALA MB 1 45 VAL MG2 4.200 . 5.400 3.953 2.112 5.641 0.241 9 0 "[ . 1]" 1
519 1 42 ALA MB 1 54 ILE MD 4.200 . 5.400 4.937 3.158 5.767 0.367 8 0 "[ . 1]" 1
520 1 42 ALA MB 1 54 ILE MG 4.200 . 5.400 2.773 1.797 3.825 0.203 4 0 "[ . 1]" 1
521 1 42 ALA MB 1 65 SER HA 4.200 . 5.400 4.661 3.921 5.381 . 0 0 "[ . 1]" 1
522 1 43 GLU H 1 43 GLU HB2 3.600 . 4.600 2.483 2.203 2.690 . 0 0 "[ . 1]" 1
523 1 43 GLU H 1 43 GLU HB3 3.600 . 4.600 3.066 2.708 3.795 . 0 0 "[ . 1]" 1
524 1 43 GLU H 1 44 ALA H 3.600 . 4.600 3.067 2.372 3.404 . 0 0 "[ . 1]" 1
525 1 43 GLU HA 1 44 ALA H 4.200 . 5.400 3.677 3.416 3.815 . 0 0 "[ . 1]" 1
526 1 43 GLU HA 1 46 ARG H 4.200 . 5.400 4.058 3.256 4.817 . 0 0 "[ . 1]" 1
527 1 43 GLU HA 1 46 ARG QB 4.200 . 5.400 3.228 2.439 4.240 . 0 0 "[ . 1]" 1
528 1 43 GLU HB2 1 44 ALA H 3.000 . 3.800 3.681 2.837 3.988 0.188 3 0 "[ . 1]" 1
529 1 43 GLU HB3 1 44 ALA H 3.600 . 4.600 2.835 2.410 3.684 . 0 0 "[ . 1]" 1
530 1 44 ALA H 1 44 ALA HA 3.000 . 3.800 2.989 2.924 3.071 . 0 0 "[ . 1]" 1
531 1 44 ALA H 1 44 ALA MB 2.500 . 2.900 2.298 2.243 2.364 . 0 0 "[ . 1]" 1
532 1 44 ALA H 1 45 VAL H 3.000 . 3.800 2.737 2.384 3.158 . 0 0 "[ . 1]" 1
533 1 44 ALA H 1 45 VAL MG1 4.200 . 5.400 5.340 4.302 5.800 0.400 9 0 "[ . 1]" 1
534 1 44 ALA H 1 45 VAL MG2 4.200 . 5.400 4.375 3.712 5.435 0.035 8 0 "[ . 1]" 1
535 1 44 ALA H 1 46 ARG H 4.200 . 5.400 4.690 4.352 4.969 . 0 0 "[ . 1]" 1
536 1 44 ALA H 1 47 LYS H 4.200 . 5.400 4.925 4.676 5.194 . 0 0 "[ . 1]" 1
537 1 44 ALA HA 1 45 VAL H 4.200 . 5.400 3.561 3.365 3.662 . 0 0 "[ . 1]" 1
538 1 44 ALA HA 1 45 VAL MG2 4.200 . 5.400 5.072 4.731 5.546 0.146 8 0 "[ . 1]" 1
539 1 44 ALA HA 1 47 LYS QB 4.200 . 5.400 2.717 2.236 3.920 . 0 0 "[ . 1]" 1
540 1 44 ALA MB 1 45 VAL H 3.600 . 4.600 2.530 2.242 2.990 . 0 0 "[ . 1]" 1
541 1 44 ALA MB 1 45 VAL HA 4.200 . 5.400 3.696 3.523 4.020 . 0 0 "[ . 1]" 1
542 1 44 ALA MB 1 45 VAL MG1 4.200 . 5.400 4.443 3.527 5.176 . 0 0 "[ . 1]" 1
543 1 44 ALA MB 1 45 VAL MG2 4.200 . 5.400 3.694 2.804 4.681 . 0 0 "[ . 1]" 1
544 1 45 VAL H 1 45 VAL HB 3.000 . 3.800 2.936 2.104 3.821 0.021 2 0 "[ . 1]" 1
545 1 45 VAL H 1 45 VAL MG1 3.000 . 3.800 3.233 2.249 3.782 . 0 0 "[ . 1]" 1
546 1 45 VAL H 1 45 VAL MG2 2.500 . 2.900 2.337 1.905 3.053 0.153 8 0 "[ . 1]" 1
547 1 45 VAL H 1 46 ARG H 3.600 . 4.600 3.072 2.508 3.414 . 0 0 "[ . 1]" 1
548 1 45 VAL HA 1 46 ARG H 4.200 . 5.400 3.597 3.532 3.667 . 0 0 "[ . 1]" 1
549 1 45 VAL HA 1 48 ARG HB2 4.200 . 5.400 3.739 2.447 4.444 . 0 0 "[ . 1]" 1
550 1 45 VAL HA 1 48 ARG HB3 4.200 . 5.400 4.947 3.561 5.575 0.175 5 0 "[ . 1]" 1
551 1 45 VAL HB 1 46 ARG H 3.600 . 4.600 2.747 1.885 3.820 0.115 4 0 "[ . 1]" 1
552 1 45 VAL MG1 1 46 ARG H 4.200 . 5.400 3.025 1.817 4.158 0.183 8 0 "[ . 1]" 1
553 1 45 VAL MG1 1 47 LYS H 4.200 . 5.400 5.106 4.389 5.677 0.277 6 0 "[ . 1]" 1
554 1 45 VAL MG2 1 46 ARG H 3.000 . 3.800 3.065 1.797 3.976 0.203 10 0 "[ . 1]" 1
555 1 45 VAL MG2 1 54 ILE MG 4.200 . 5.400 3.301 2.319 5.298 . 0 0 "[ . 1]" 1
556 1 46 ARG H 1 46 ARG QB 3.600 . 4.600 2.301 2.127 2.604 . 0 0 "[ . 1]" 1
557 1 46 ARG H 1 47 LYS H 3.600 . 4.600 3.045 2.615 3.342 . 0 0 "[ . 1]" 1
558 1 46 ARG H 1 47 LYS QB 4.200 . 5.400 4.820 4.502 5.176 . 0 0 "[ . 1]" 1
559 1 46 ARG H 1 48 ARG H 4.200 . 5.400 4.315 3.887 4.724 . 0 0 "[ . 1]" 1
560 1 46 ARG H 1 48 ARG HB2 4.200 . 5.400 5.187 4.880 5.614 0.214 10 0 "[ . 1]" 1
561 1 46 ARG HA 1 49 ASN H 4.200 . 5.400 3.404 2.773 4.657 . 0 0 "[ . 1]" 1
562 1 46 ARG HA 1 51 LEU H 4.200 . 5.400 4.001 2.512 4.876 . 0 0 "[ . 1]" 1
563 1 46 ARG QB 1 47 LYS H 4.200 . 5.400 2.526 1.902 3.634 0.098 4 0 "[ . 1]" 1
564 1 47 LYS H 1 47 LYS QB 3.000 . 3.800 2.309 2.203 2.459 . 0 0 "[ . 1]" 1
565 1 47 LYS H 1 47 LYS QD 3.600 . 4.600 4.202 3.765 4.724 0.124 3 0 "[ . 1]" 1
566 1 47 LYS H 1 47 LYS QG 4.200 . 5.400 3.615 2.237 4.181 . 0 0 "[ . 1]" 1
567 1 47 LYS H 1 48 ARG H 4.200 . 5.400 2.897 2.613 3.147 . 0 0 "[ . 1]" 1
568 1 47 LYS HA 1 50 ASP H 4.200 . 5.400 5.332 3.712 6.180 0.780 6 2 "[ .+ -]" 1
569 1 47 LYS QG 1 48 ARG H 4.200 . 5.400 3.812 2.144 4.310 . 0 0 "[ . 1]" 1
570 1 48 ARG H 1 48 ARG HB2 3.600 . 4.600 2.433 2.273 2.644 . 0 0 "[ . 1]" 1
571 1 48 ARG H 1 48 ARG HB3 3.000 . 3.800 3.366 2.467 3.696 . 0 0 "[ . 1]" 1
572 1 48 ARG H 1 48 ARG HD2 4.200 . 5.400 4.772 3.996 5.761 0.361 6 0 "[ . 1]" 1
573 1 48 ARG H 1 48 ARG HD3 4.200 . 5.400 4.967 4.506 5.747 0.347 3 0 "[ . 1]" 1
574 1 48 ARG H 1 48 ARG QG 4.200 . 5.400 2.881 2.026 3.999 . 0 0 "[ . 1]" 1
575 1 48 ARG H 1 49 ASN H 3.600 . 4.600 3.165 2.544 3.571 . 0 0 "[ . 1]" 1
576 1 48 ARG HA 1 49 ASN H 4.200 . 5.400 3.607 3.522 3.710 . 0 0 "[ . 1]" 1
577 1 48 ARG HB2 1 49 ASN H 4.200 . 5.400 2.813 1.996 4.111 0.004 10 0 "[ . 1]" 1
578 1 48 ARG HB3 1 49 ASN H 4.200 . 5.400 2.872 1.907 4.061 0.093 6 0 "[ . 1]" 1
579 1 48 ARG QG 1 49 ASN H 4.200 . 5.400 3.993 3.253 4.652 . 0 0 "[ . 1]" 1
580 1 49 ASN H 1 49 ASN HB2 3.000 . 3.800 3.248 2.708 3.782 . 0 0 "[ . 1]" 1
581 1 49 ASN H 1 49 ASN HB3 3.600 . 4.600 3.432 2.635 4.061 . 0 0 "[ . 1]" 1
582 1 49 ASN H 1 50 ASP H 3.600 . 4.600 2.418 1.844 3.333 0.156 6 0 "[ . 1]" 1
583 1 49 ASN H 1 50 ASP HA 4.200 . 5.400 4.290 3.966 4.937 . 0 0 "[ . 1]" 1
584 1 49 ASN H 1 51 LEU H 4.200 . 5.400 3.857 2.616 5.412 0.012 10 0 "[ . 1]" 1
585 1 49 ASN H 1 51 LEU MD2 4.200 . 5.400 5.225 4.734 5.544 0.144 4 0 "[ . 1]" 1
586 1 49 ASN H 1 51 LEU HG 4.200 . 5.400 5.039 3.537 5.909 0.509 10 1 "[ . +]" 1
587 1 49 ASN HA 1 50 ASP H 3.600 . 4.600 3.262 2.149 3.605 . 0 0 "[ . 1]" 1
588 1 49 ASN HB2 1 50 ASP H 4.200 . 5.400 3.618 2.260 4.489 . 0 0 "[ . 1]" 1
589 1 49 ASN HB2 1 51 LEU H 4.200 . 5.400 3.981 2.920 5.403 0.003 10 0 "[ . 1]" 1
590 1 49 ASN HB2 1 51 LEU MD1 4.200 . 5.400 4.425 3.024 5.470 0.070 3 0 "[ . 1]" 1
591 1 49 ASN HB3 1 50 ASP H 4.200 . 5.400 3.654 2.269 4.769 . 0 0 "[ . 1]" 1
592 1 49 ASN HB3 1 51 LEU H 4.200 . 5.400 3.946 2.606 4.979 . 0 0 "[ . 1]" 1
593 1 49 ASN HB3 1 51 LEU MD1 4.200 . 5.400 4.524 4.067 5.365 . 0 0 "[ . 1]" 1
594 1 50 ASP H 1 50 ASP HA 2.500 . 2.900 2.565 2.316 3.014 0.114 10 0 "[ . 1]" 1
595 1 50 ASP H 1 50 ASP HB2 3.600 . 4.600 3.423 3.067 3.840 . 0 0 "[ . 1]" 1
596 1 50 ASP H 1 50 ASP HB3 4.200 . 5.400 3.829 2.854 4.222 . 0 0 "[ . 1]" 1
597 1 50 ASP H 1 51 LEU H 3.000 . 3.800 2.268 1.679 2.817 0.321 5 0 "[ . 1]" 1
598 1 50 ASP H 1 51 LEU MD2 4.200 . 5.400 3.840 2.762 4.932 . 0 0 "[ . 1]" 1
599 1 50 ASP H 1 51 LEU HG 4.200 . 5.400 3.839 3.226 4.632 . 0 0 "[ . 1]" 1
600 1 50 ASP HA 1 51 LEU H 3.600 . 4.600 3.203 2.568 3.483 . 0 0 "[ . 1]" 1
601 1 50 ASP HB2 1 51 LEU H 4.200 . 5.400 4.108 3.551 4.854 . 0 0 "[ . 1]" 1
602 1 50 ASP HB3 1 51 LEU H 4.200 . 5.400 3.989 2.912 4.625 . 0 0 "[ . 1]" 1
603 1 51 LEU H 1 51 LEU QB 3.000 . 3.800 3.172 2.647 3.515 . 0 0 "[ . 1]" 1
604 1 51 LEU H 1 51 LEU MD1 4.200 . 5.400 3.794 3.522 4.462 . 0 0 "[ . 1]" 1
605 1 51 LEU H 1 51 LEU MD2 3.000 . 3.800 2.922 2.226 3.730 . 0 0 "[ . 1]" 1
606 1 51 LEU HA 1 52 LEU H 3.000 . 3.800 2.460 2.194 2.769 . 0 0 "[ . 1]" 1
607 1 52 LEU H 1 52 LEU QB 3.600 . 4.600 3.076 2.164 3.617 . 0 0 "[ . 1]" 1
608 1 52 LEU H 1 52 LEU MD1 4.200 . 5.400 4.107 2.323 4.980 . 0 0 "[ . 1]" 1
609 1 52 LEU H 1 52 LEU MD2 4.200 . 5.400 4.338 3.302 5.112 . 0 0 "[ . 1]" 1
610 1 52 LEU H 1 52 LEU HG 4.200 . 5.400 4.272 2.958 5.462 0.062 6 0 "[ . 1]" 1
611 1 52 LEU H 1 53 PHE H 3.600 . 4.600 4.516 4.406 4.691 0.091 8 0 "[ . 1]" 1
612 1 52 LEU H 1 124 GLU H 4.200 . 5.400 4.356 3.796 5.471 0.071 8 0 "[ . 1]" 1
613 1 52 LEU H 1 124 GLU QB 4.200 . 5.400 3.981 2.933 5.432 0.032 8 0 "[ . 1]" 1
614 1 52 LEU HA 1 53 PHE H 4.200 . 5.400 2.777 2.646 2.981 . 0 0 "[ . 1]" 1
615 1 52 LEU HA 1 123 LEU HA 4.200 . 5.400 2.659 2.276 3.073 . 0 0 "[ . 1]" 1
616 1 52 LEU QB 1 53 PHE H 3.000 . 3.800 2.778 2.238 3.535 . 0 0 "[ . 1]" 1
617 1 52 LEU MD1 1 53 PHE H 3.600 . 4.600 3.762 1.879 4.976 0.376 8 0 "[ . 1]" 1
618 1 52 LEU MD2 1 53 PHE H 4.200 . 5.400 3.604 2.323 5.261 . 0 0 "[ . 1]" 1
619 1 52 LEU HG 1 53 PHE H 4.200 . 5.400 4.202 2.689 4.808 . 0 0 "[ . 1]" 1
620 1 53 PHE H 1 53 PHE HB2 4.200 . 5.400 3.209 2.689 3.726 . 0 0 "[ . 1]" 1
621 1 53 PHE H 1 53 PHE HB3 4.200 . 5.400 3.742 3.408 3.943 . 0 0 "[ . 1]" 1
622 1 53 PHE H 1 122 GLY H 4.200 . 5.400 2.573 2.057 3.282 . 0 0 "[ . 1]" 1
623 1 53 PHE H 1 122 GLY HA2 4.200 . 5.400 3.662 3.188 4.063 . 0 0 "[ . 1]" 1
624 1 53 PHE H 1 123 LEU HA 4.200 . 5.400 4.244 3.707 4.631 . 0 0 "[ . 1]" 1
625 1 53 PHE HA 1 54 ILE H 3.000 . 3.800 2.316 2.196 2.539 . 0 0 "[ . 1]" 1
626 1 53 PHE HB2 1 54 ILE H 3.600 . 4.600 4.246 3.939 4.457 . 0 0 "[ . 1]" 1
627 1 53 PHE HB3 1 54 ILE H 4.200 . 5.400 4.313 4.138 4.450 . 0 0 "[ . 1]" 1
628 1 54 ILE H 1 54 ILE HB 3.600 . 4.600 2.691 2.153 3.197 . 0 0 "[ . 1]" 1
629 1 54 ILE H 1 54 ILE MD 4.200 . 5.400 4.442 4.107 4.728 . 0 0 "[ . 1]" 1
630 1 54 ILE H 1 54 ILE QG 4.200 . 5.400 3.908 3.260 4.190 . 0 0 "[ . 1]" 1
631 1 54 ILE H 1 54 ILE MG 4.200 . 5.400 2.495 1.978 3.604 0.022 2 0 "[ . 1]" 1
632 1 54 ILE HA 1 55 VAL H 3.000 . 3.800 2.000 1.896 2.123 0.104 8 0 "[ . 1]" 1
633 1 54 ILE HA 1 121 ILE HA 4.200 . 5.400 2.398 2.205 2.742 . 0 0 "[ . 1]" 1
634 1 54 ILE HA 1 121 ILE MD 4.200 . 5.400 4.704 4.096 5.513 0.113 4 0 "[ . 1]" 1
635 1 54 ILE HA 1 121 ILE MG 4.200 . 5.400 3.055 2.577 3.632 . 0 0 "[ . 1]" 1
636 1 54 ILE HA 1 122 GLY H 4.200 . 5.400 3.554 2.711 4.284 . 0 0 "[ . 1]" 1
637 1 54 ILE MD 1 55 VAL H 4.200 . 5.400 4.203 3.380 4.920 . 0 0 "[ . 1]" 1
638 1 54 ILE MD 1 121 ILE HB 4.200 . 5.400 4.342 3.855 5.244 . 0 0 "[ . 1]" 1
639 1 54 ILE MD 1 121 ILE MD 4.200 . 5.400 2.523 1.926 3.499 0.074 7 0 "[ . 1]" 1
640 1 54 ILE MD 1 121 ILE MG 4.200 . 5.400 2.187 1.941 2.900 0.059 3 0 "[ . 1]" 1
641 1 54 ILE QG 1 55 VAL H 4.200 . 5.400 2.907 1.886 4.351 0.114 5 0 "[ . 1]" 1
642 1 54 ILE MG 1 55 VAL H 3.600 . 4.600 3.614 2.882 4.084 . 0 0 "[ . 1]" 1
643 1 54 ILE MG 1 56 VAL H 4.200 . 5.400 4.899 4.304 5.326 . 0 0 "[ . 1]" 1
644 1 54 ILE MG 1 121 ILE HA 4.200 . 5.400 4.727 4.202 5.163 . 0 0 "[ . 1]" 1
645 1 54 ILE MG 1 121 ILE MG 4.200 . 5.400 3.919 3.478 4.278 . 0 0 "[ . 1]" 1
646 1 55 VAL H 1 55 VAL HB 3.600 . 4.600 3.400 2.842 3.849 . 0 0 "[ . 1]" 1
647 1 55 VAL H 1 55 VAL MG1 4.200 . 5.400 2.084 1.877 2.591 0.123 7 0 "[ . 1]" 1
648 1 55 VAL H 1 55 VAL MG2 4.200 . 5.400 3.192 1.943 3.847 0.057 8 0 "[ . 1]" 1
649 1 55 VAL H 1 120 ALA H 4.200 . 5.400 3.333 2.632 3.912 . 0 0 "[ . 1]" 1
650 1 55 VAL H 1 120 ALA MB 4.200 . 5.400 3.788 3.443 4.264 . 0 0 "[ . 1]" 1
651 1 55 VAL H 1 121 ILE HA 4.200 . 5.400 3.284 2.820 3.685 . 0 0 "[ . 1]" 1
652 1 55 VAL HA 1 56 VAL H 3.000 . 3.800 1.925 1.837 2.032 0.163 2 0 "[ . 1]" 1
653 1 55 VAL HA 1 120 ALA MB 4.200 . 5.400 5.225 4.944 5.477 0.077 9 0 "[ . 1]" 1
654 1 55 VAL HB 1 120 ALA MB 4.200 . 5.400 4.073 3.483 4.227 . 0 0 "[ . 1]" 1
655 1 55 VAL MG1 1 56 VAL H 4.200 . 5.400 4.014 3.727 4.244 . 0 0 "[ . 1]" 1
656 1 55 VAL MG1 1 120 ALA MB 4.200 . 5.400 2.273 1.858 3.956 0.142 3 0 "[ . 1]" 1
657 1 55 VAL MG2 1 56 VAL H 3.600 . 4.600 2.790 2.042 3.937 . 0 0 "[ . 1]" 1
658 1 55 VAL MG2 1 120 ALA MB 4.200 . 5.400 2.760 1.880 3.732 0.120 4 0 "[ . 1]" 1
659 1 56 VAL H 1 56 VAL HA 3.000 . 3.800 2.950 2.905 2.979 . 0 0 "[ . 1]" 1
660 1 56 VAL H 1 56 VAL HB 3.000 . 3.800 2.824 2.562 3.101 . 0 0 "[ . 1]" 1
661 1 56 VAL H 1 56 VAL MG1 4.200 . 5.400 2.792 1.872 3.879 0.128 5 0 "[ . 1]" 1
662 1 56 VAL H 1 56 VAL MG2 3.600 . 4.600 3.555 2.540 3.958 . 0 0 "[ . 1]" 1
663 1 56 VAL H 1 57 THR H 4.200 . 5.400 4.201 3.784 4.401 . 0 0 "[ . 1]" 1
664 1 56 VAL HA 1 57 THR H 3.000 . 3.800 2.316 2.117 2.420 . 0 0 "[ . 1]" 1
665 1 56 VAL HA 1 119 VAL HA 4.200 . 5.400 2.645 2.304 3.189 . 0 0 "[ . 1]" 1
666 1 56 VAL HA 1 119 VAL MG1 4.200 . 5.400 3.622 2.970 5.171 . 0 0 "[ . 1]" 1
667 1 56 VAL HA 1 120 ALA H 4.200 . 5.400 3.966 3.459 4.598 . 0 0 "[ . 1]" 1
668 1 56 VAL MG1 1 108 ILE MD 4.200 . 5.400 3.295 2.016 4.088 . 0 0 "[ . 1]" 1
669 1 56 VAL MG1 1 119 VAL HA 4.200 . 5.400 4.931 3.608 5.422 0.022 5 0 "[ . 1]" 1
670 1 56 VAL MG1 1 119 VAL MG1 4.200 . 5.400 5.047 3.866 5.419 0.019 4 0 "[ . 1]" 1
671 1 56 VAL MG2 1 119 VAL HA 4.200 . 5.400 3.970 3.328 4.429 . 0 0 "[ . 1]" 1
672 1 57 THR H 1 57 THR HB 4.200 . 5.400 3.494 2.874 3.909 . 0 0 "[ . 1]" 1
673 1 57 THR H 1 57 THR MG 3.600 . 4.600 3.047 2.108 3.984 . 0 0 "[ . 1]" 1
674 1 57 THR H 1 118 VAL H 4.200 . 5.400 3.338 2.913 3.671 . 0 0 "[ . 1]" 1
675 1 57 THR H 1 118 VAL HB 4.200 . 5.400 4.688 3.661 5.212 . 0 0 "[ . 1]" 1
676 1 57 THR H 1 119 VAL HA 4.200 . 5.400 3.373 2.727 4.035 . 0 0 "[ . 1]" 1
677 1 57 THR HA 1 58 ASP H 3.600 . 4.600 2.265 2.129 2.459 . 0 0 "[ . 1]" 1
678 1 57 THR HA 1 61 SER HA 4.200 . 5.400 5.004 4.259 5.415 0.015 6 0 "[ . 1]" 1
679 1 57 THR HA 1 64 TYR QD 4.200 . 5.400 3.908 3.732 4.084 . 0 0 "[ . 1]" 1
680 1 57 THR HA 1 64 TYR QE 4.200 . 5.400 3.055 2.306 5.372 . 0 0 "[ . 1]" 1
681 1 57 THR HB 1 58 ASP H 2.500 . 2.900 3.015 2.593 3.464 0.564 3 3 "[ + *- 1]" 1
682 1 57 THR HB 1 61 SER HA 4.200 . 5.400 3.251 2.211 4.288 . 0 0 "[ . 1]" 1
683 1 57 THR HB 1 81 ILE MD 4.200 . 5.400 5.652 5.546 5.841 0.441 7 0 "[ . 1]" 1
684 1 57 THR MG 1 58 ASP H 3.600 . 4.600 3.245 1.801 4.112 0.199 5 0 "[ . 1]" 1
685 1 57 THR MG 1 61 SER HA 4.200 . 5.400 2.202 2.066 2.410 . 0 0 "[ . 1]" 1
686 1 57 THR MG 1 61 SER HB2 4.200 . 5.400 3.857 3.392 4.583 . 0 0 "[ . 1]" 1
687 1 57 THR MG 1 61 SER HB3 4.200 . 5.400 4.435 4.071 4.763 . 0 0 "[ . 1]" 1
688 1 57 THR MG 1 81 ILE MD 4.200 . 5.400 4.332 3.784 4.984 . 0 0 "[ . 1]" 1
689 1 57 THR MG 1 81 ILE MG 4.200 . 5.400 4.380 3.910 5.024 . 0 0 "[ . 1]" 1
690 1 57 THR MG 1 85 LEU MD2 4.200 . 5.400 5.406 5.113 5.568 0.168 5 0 "[ . 1]" 1
691 1 57 THR MG 1 118 VAL HA 4.200 . 5.400 5.262 3.991 5.739 0.339 6 0 "[ . 1]" 1
692 1 57 THR MG 1 118 VAL HB 4.200 . 5.400 3.424 2.511 3.774 . 0 0 "[ . 1]" 1
693 1 57 THR MG 1 118 VAL MG2 4.200 . 5.400 4.353 3.166 4.798 . 0 0 "[ . 1]" 1
694 1 58 ASP H 1 58 ASP HB2 3.600 . 4.600 2.580 2.327 2.808 . 0 0 "[ . 1]" 1
695 1 58 ASP H 1 58 ASP HB3 4.200 . 5.400 2.787 2.544 3.603 . 0 0 "[ . 1]" 1
696 1 58 ASP H 1 59 MET H 4.200 . 5.400 4.366 4.108 4.442 . 0 0 "[ . 1]" 1
697 1 58 ASP H 1 60 GLN H 4.200 . 5.400 3.607 3.469 3.809 . 0 0 "[ . 1]" 1
698 1 58 ASP H 1 64 TYR QD 4.200 . 5.400 5.333 5.090 5.715 0.315 4 0 "[ . 1]" 1
699 1 58 ASP HA 1 59 MET H 3.000 . 3.800 2.805 2.746 2.909 . 0 0 "[ . 1]" 1
700 1 58 ASP HA 1 117 GLY HA2 4.200 . 5.400 3.886 3.446 4.517 . 0 0 "[ . 1]" 1
701 1 58 ASP HA 1 117 GLY HA3 4.200 . 5.400 3.977 3.566 4.701 . 0 0 "[ . 1]" 1
702 1 58 ASP HA 1 118 VAL H 4.200 . 5.400 4.461 4.206 4.839 . 0 0 "[ . 1]" 1
703 1 58 ASP HB2 1 60 GLN H 4.200 . 5.400 5.062 3.923 5.415 0.015 5 0 "[ . 1]" 1
704 1 58 ASP HB3 1 59 MET H 2.500 . 2.900 2.789 2.105 3.028 0.128 3 0 "[ . 1]" 1
705 1 58 ASP HB3 1 60 GLN H 4.200 . 5.400 3.968 3.544 4.496 . 0 0 "[ . 1]" 1
706 1 59 MET H 1 59 MET HB2 2.500 . 2.900 2.782 2.091 3.535 0.635 6 1 "[ .+ 1]" 1
707 1 59 MET H 1 59 MET HB3 3.600 . 4.600 2.395 2.056 3.325 . 0 0 "[ . 1]" 1
708 1 59 MET H 1 59 MET HG2 3.600 . 4.600 4.311 3.748 4.553 . 0 0 "[ . 1]" 1
709 1 59 MET H 1 59 MET HG3 3.000 . 3.800 4.000 3.457 4.322 0.522 4 2 "[ -+. 1]" 1
710 1 59 MET H 1 60 GLN H 3.600 . 4.600 3.851 3.668 3.972 . 0 0 "[ . 1]" 1
711 1 59 MET H 1 60 GLN HA 4.200 . 5.400 5.474 5.344 5.659 0.259 8 0 "[ . 1]" 1
712 1 59 MET HA 1 60 GLN H 4.200 . 5.400 2.505 2.349 2.641 . 0 0 "[ . 1]" 1
713 1 59 MET HA 1 61 SER H 4.200 . 5.400 4.598 3.920 5.717 0.317 8 0 "[ . 1]" 1
714 1 59 MET HB2 1 60 GLN H 4.200 . 5.400 4.623 4.362 4.782 . 0 0 "[ . 1]" 1
715 1 59 MET HB2 1 118 VAL H 4.200 . 5.400 5.585 5.299 5.894 0.494 5 0 "[ . 1]" 1
716 1 59 MET HB3 1 60 GLN H 4.200 . 5.400 4.565 4.389 4.716 . 0 0 "[ . 1]" 1
717 1 60 GLN H 1 60 GLN QB 3.000 . 3.800 2.720 2.540 3.221 . 0 0 "[ . 1]" 1
718 1 60 GLN H 1 61 SER H 3.000 . 3.800 2.356 1.766 3.806 0.234 5 0 "[ . 1]" 1
719 1 60 GLN H 1 61 SER HB2 4.200 . 5.400 4.331 4.044 5.054 . 0 0 "[ . 1]" 1
720 1 60 GLN H 1 61 SER HB3 4.200 . 5.400 5.223 4.599 5.538 0.138 8 0 "[ . 1]" 1
721 1 60 GLN H 1 62 LEU H 4.200 . 5.400 6.045 5.852 6.289 0.889 8 9 [****.-*+**] 1
722 1 60 GLN HA 1 61 SER H 3.600 . 4.600 3.350 2.172 3.689 . 0 0 "[ . 1]" 1
723 1 60 GLN QG 1 62 LEU MD1 4.200 . 5.400 4.395 3.348 5.590 0.190 8 0 "[ . 1]" 1
724 1 60 GLN QG 1 62 LEU MD2 4.200 . 5.400 4.577 3.247 5.399 . 0 0 "[ . 1]" 1
725 1 61 SER H 1 61 SER HB2 2.500 . 2.900 3.163 2.467 3.346 0.446 6 0 "[ . 1]" 1
726 1 61 SER H 1 61 SER HB3 3.600 . 4.600 3.521 2.171 3.898 . 0 0 "[ . 1]" 1
727 1 61 SER H 1 62 LEU H 3.000 . 3.800 4.114 3.986 4.472 0.672 1 2 "[+ . - 1]" 1
728 1 61 SER H 1 62 LEU HB2 4.200 . 5.400 4.662 4.218 6.031 0.631 7 1 "[ . + 1]" 1
729 1 61 SER H 1 62 LEU HB3 4.200 . 5.400 5.641 5.136 5.807 0.407 8 0 "[ . 1]" 1
730 1 61 SER H 1 62 LEU MD1 4.200 . 5.400 5.116 4.681 5.648 0.248 1 0 "[ . 1]" 1
731 1 61 SER HA 1 62 LEU H 4.200 . 5.400 2.254 2.165 2.591 . 0 0 "[ . 1]" 1
732 1 61 SER HA 1 81 ILE MD 4.200 . 5.400 3.579 3.074 4.267 . 0 0 "[ . 1]" 1
733 1 61 SER HA 1 81 ILE MG 4.200 . 5.400 4.117 3.229 5.052 . 0 0 "[ . 1]" 1
734 1 61 SER HB2 1 62 LEU H 3.600 . 4.600 4.156 3.664 4.478 . 0 0 "[ . 1]" 1
735 1 61 SER HB2 1 81 ILE MD 4.200 . 5.400 2.350 2.021 3.637 . 0 0 "[ . 1]" 1
736 1 61 SER HB2 1 81 ILE MG 4.200 . 5.400 2.808 2.309 3.656 . 0 0 "[ . 1]" 1
737 1 61 SER HB3 1 62 LEU H 4.200 . 5.400 3.779 3.030 4.084 . 0 0 "[ . 1]" 1
738 1 61 SER HB3 1 81 ILE MD 4.200 . 5.400 2.850 2.009 3.712 . 0 0 "[ . 1]" 1
739 1 61 SER HB3 1 81 ILE MG 4.200 . 5.400 3.944 3.140 4.479 . 0 0 "[ . 1]" 1
740 1 62 LEU H 1 62 LEU HB2 3.600 . 4.600 3.618 3.482 4.120 . 0 0 "[ . 1]" 1
741 1 62 LEU H 1 62 LEU HB3 4.200 . 5.400 3.837 3.631 3.924 . 0 0 "[ . 1]" 1
742 1 62 LEU H 1 62 LEU MD1 3.600 . 4.600 4.059 3.832 4.337 . 0 0 "[ . 1]" 1
743 1 62 LEU H 1 62 LEU HG 4.200 . 5.400 4.555 3.185 4.820 . 0 0 "[ . 1]" 1
744 1 62 LEU H 1 63 ARG H 4.200 . 5.400 3.712 3.020 3.888 . 0 0 "[ . 1]" 1
745 1 62 LEU H 1 63 ARG HA 3.000 . 3.800 4.150 4.071 4.207 0.407 1 0 "[ . 1]" 1
746 1 62 LEU HA 1 63 ARG H 2.500 . 2.900 2.090 1.951 2.226 0.049 2 0 "[ . 1]" 1
747 1 63 ARG H 1 63 ARG QB 3.000 . 3.800 2.515 2.165 2.798 . 0 0 "[ . 1]" 1
748 1 63 ARG H 1 63 ARG QD 4.200 . 5.400 3.042 1.946 3.620 0.054 7 0 "[ . 1]" 1
749 1 63 ARG H 1 74 GLN H 4.200 . 5.400 5.346 5.070 5.531 0.131 10 0 "[ . 1]" 1
750 1 63 ARG HA 1 64 TYR H 4.200 . 5.400 2.058 1.899 2.219 0.101 1 0 "[ . 1]" 1
751 1 63 ARG HA 1 65 SER HA 4.200 . 5.400 5.987 5.863 6.211 0.811 5 7 "[*** + * *-]" 1
752 1 63 ARG HA 1 65 SER HB2 4.200 . 5.400 5.640 5.501 6.028 0.628 4 1 "[ +. 1]" 1
753 1 63 ARG HA 1 65 SER HB3 4.200 . 5.400 5.439 5.041 5.637 0.237 10 0 "[ . 1]" 1
754 1 63 ARG QB 1 65 SER H 4.200 . 5.400 3.001 2.323 3.330 . 0 0 "[ . 1]" 1
755 1 64 TYR H 1 64 TYR HB2 4.200 . 5.400 2.312 2.096 2.525 . 0 0 "[ . 1]" 1
756 1 64 TYR H 1 64 TYR HB3 4.200 . 5.400 3.522 3.061 3.734 . 0 0 "[ . 1]" 1
757 1 64 TYR H 1 64 TYR QD 4.200 . 5.400 2.768 2.091 3.818 . 0 0 "[ . 1]" 1
758 1 64 TYR H 1 65 SER H 4.200 . 5.400 2.419 1.738 2.740 0.262 7 0 "[ . 1]" 1
759 1 64 TYR HA 1 65 SER H 4.200 . 5.400 3.432 3.288 3.487 . 0 0 "[ . 1]" 1
760 1 64 TYR HA 1 72 ILE MG 4.200 . 5.400 3.897 3.552 4.521 . 0 0 "[ . 1]" 1
761 1 64 TYR HB2 1 65 SER H 4.200 . 5.400 3.006 2.659 3.601 . 0 0 "[ . 1]" 1
762 1 64 TYR HB3 1 65 SER H 4.200 . 5.400 3.431 3.007 4.043 . 0 0 "[ . 1]" 1
763 1 64 TYR QD 1 65 SER H 4.200 . 5.400 4.357 4.237 4.429 . 0 0 "[ . 1]" 1
764 1 65 SER H 1 65 SER HB2 4.200 . 5.400 2.724 2.458 3.576 . 0 0 "[ . 1]" 1
765 1 65 SER H 1 65 SER HB3 4.200 . 5.400 2.887 2.573 3.020 . 0 0 "[ . 1]" 1
766 1 65 SER H 1 66 HIS H 4.200 . 5.400 4.583 4.535 4.684 . 0 0 "[ . 1]" 1
767 1 65 SER HA 1 66 HIS H 2.500 . 2.900 2.373 2.223 2.468 . 0 0 "[ . 1]" 1
768 1 65 SER HA 1 72 ILE QG 4.200 . 5.400 4.431 4.039 4.762 . 0 0 "[ . 1]" 1
769 1 65 SER HA 1 72 ILE MG 4.200 . 5.400 5.420 4.974 5.688 0.288 2 0 "[ . 1]" 1
770 1 65 SER HB2 1 66 HIS H 4.200 . 5.400 3.998 3.072 4.302 . 0 0 "[ . 1]" 1
771 1 65 SER HB3 1 66 HIS H 3.600 . 4.600 3.473 3.030 4.107 . 0 0 "[ . 1]" 1
772 1 66 HIS H 1 66 HIS QB 4.200 . 5.400 3.084 2.769 3.310 . 0 0 "[ . 1]" 1
773 1 66 HIS HA 1 67 PRO HD2 4.200 . 5.400 2.461 2.254 2.812 . 0 0 "[ . 1]" 1
774 1 66 HIS HA 1 67 PRO HD3 4.200 . 5.400 2.442 2.281 2.746 . 0 0 "[ . 1]" 1
775 1 66 HIS HA 1 67 PRO HG3 4.200 . 5.400 4.599 4.509 4.705 . 0 0 "[ . 1]" 1
776 1 67 PRO HG3 1 98 LEU MD1 4.200 . 5.400 5.029 4.001 5.526 0.126 1 0 "[ . 1]" 1
777 1 67 PRO HG3 1 98 LEU MD2 4.200 . 5.400 4.961 3.618 5.619 0.219 5 0 "[ . 1]" 1
778 1 68 GLU H 1 68 GLU HB2 4.200 . 5.400 2.851 2.517 3.215 . 0 0 "[ . 1]" 1
779 1 68 GLU H 1 68 GLU HB3 4.200 . 5.400 3.121 2.597 3.871 . 0 0 "[ . 1]" 1
780 1 68 GLU H 1 69 ALA H 4.200 . 5.400 4.262 3.889 4.558 . 0 0 "[ . 1]" 1
781 1 68 GLU HA 1 69 ALA H 3.000 . 3.800 2.175 2.030 2.274 . 0 0 "[ . 1]" 1
782 1 68 GLU HA 1 70 GLN H 4.200 . 5.400 4.329 3.842 4.803 . 0 0 "[ . 1]" 1
783 1 68 GLU HB2 1 69 ALA H 4.200 . 5.400 4.207 3.564 4.493 . 0 0 "[ . 1]" 1
784 1 68 GLU HB2 1 70 GLN H 4.200 . 5.400 4.856 2.978 5.684 0.284 5 0 "[ . 1]" 1
785 1 68 GLU HB3 1 69 ALA H 4.200 . 5.400 3.751 3.005 4.313 . 0 0 "[ . 1]" 1
786 1 68 GLU QG 1 69 ALA H 4.200 . 5.400 3.549 2.626 4.757 . 0 0 "[ . 1]" 1
787 1 69 ALA H 1 69 ALA MB 3.600 . 4.600 2.238 2.168 2.294 . 0 0 "[ . 1]" 1
788 1 69 ALA H 1 70 GLN H 4.200 . 5.400 2.958 2.676 3.191 . 0 0 "[ . 1]" 1
789 1 69 ALA H 1 72 ILE H 4.200 . 5.400 5.607 5.486 5.840 0.440 5 0 "[ . 1]" 1
790 1 69 ALA HA 1 70 GLN H 4.200 . 5.400 3.578 3.471 3.626 . 0 0 "[ . 1]" 1
791 1 69 ALA HA 1 72 ILE HB 4.200 . 5.400 3.970 3.609 4.308 . 0 0 "[ . 1]" 1
792 1 69 ALA HA 1 72 ILE MD 4.200 . 5.400 2.701 2.195 3.782 . 0 0 "[ . 1]" 1
793 1 69 ALA HA 1 72 ILE QG 4.200 . 5.400 3.042 2.543 3.854 . 0 0 "[ . 1]" 1
794 1 69 ALA HA 1 72 ILE MG 4.200 . 5.400 4.930 4.572 5.236 . 0 0 "[ . 1]" 1
795 1 69 ALA MB 1 70 GLN H 3.600 . 4.600 2.547 2.218 3.001 . 0 0 "[ . 1]" 1
796 1 69 ALA MB 1 72 ILE MD 4.200 . 5.400 3.537 2.509 4.717 . 0 0 "[ . 1]" 1
797 1 69 ALA MB 1 72 ILE QG 4.200 . 5.400 4.314 3.818 5.031 . 0 0 "[ . 1]" 1
798 1 69 ALA MB 1 72 ILE MG 4.200 . 5.400 5.119 4.402 5.496 0.096 2 0 "[ . 1]" 1
799 1 70 GLN H 1 70 GLN HA 3.000 . 3.800 2.852 2.814 2.895 . 0 0 "[ . 1]" 1
800 1 70 GLN H 1 70 GLN QB 2.500 . 2.900 2.373 2.195 2.539 . 0 0 "[ . 1]" 1
801 1 70 GLN H 1 70 GLN QG 3.600 . 4.600 2.700 1.960 4.044 0.040 4 0 "[ . 1]" 1
802 1 70 GLN H 1 71 ARG H 3.600 . 4.600 3.021 2.926 3.154 . 0 0 "[ . 1]" 1
803 1 70 GLN H 1 72 ILE H 4.200 . 5.400 4.429 4.282 4.763 . 0 0 "[ . 1]" 1
804 1 70 GLN HA 1 71 ARG H 3.600 . 4.600 3.657 3.613 3.696 . 0 0 "[ . 1]" 1
805 1 70 GLN HA 1 72 ILE H 4.200 . 5.400 4.073 3.723 4.512 . 0 0 "[ . 1]" 1
806 1 70 GLN QB 1 71 ARG H 3.000 . 3.800 2.851 2.674 2.988 . 0 0 "[ . 1]" 1
807 1 70 GLN QG 1 71 ARG H 4.200 . 5.400 4.181 3.676 4.639 . 0 0 "[ . 1]" 1
808 1 71 ARG H 1 71 ARG HB2 3.600 . 4.600 2.389 2.216 2.580 . 0 0 "[ . 1]" 1
809 1 71 ARG H 1 71 ARG HB3 3.000 . 3.800 3.096 2.773 3.443 . 0 0 "[ . 1]" 1
810 1 71 ARG H 1 71 ARG QD 4.200 . 5.400 3.911 3.000 4.635 . 0 0 "[ . 1]" 1
811 1 71 ARG H 1 71 ARG QG 3.000 . 3.800 4.091 3.914 4.202 0.402 3 0 "[ . 1]" 1
812 1 71 ARG H 1 72 ILE H 3.000 . 3.800 2.622 2.534 2.829 . 0 0 "[ . 1]" 1
813 1 71 ARG H 1 72 ILE HB 3.600 . 4.600 4.794 4.659 4.922 0.322 10 0 "[ . 1]" 1
814 1 71 ARG HA 1 72 ILE H 4.200 . 5.400 3.512 3.462 3.601 . 0 0 "[ . 1]" 1
815 1 71 ARG HA 1 74 GLN QB 4.200 . 5.400 3.123 2.641 3.824 . 0 0 "[ . 1]" 1
816 1 71 ARG HA 1 74 GLN QG 4.200 . 5.400 3.844 2.114 4.656 . 0 0 "[ . 1]" 1
817 1 71 ARG QB 1 124 GLU HA 4.200 . 5.400 6.088 5.883 6.235 0.835 5 9 [****+*-**1] 1
818 1 71 ARG QB 1 124 GLU HG2 4.200 . 5.400 5.344 4.909 5.670 0.270 5 0 "[ . 1]" 1
819 1 71 ARG QG 1 72 ILE H 4.200 . 5.400 4.360 3.840 4.737 . 0 0 "[ . 1]" 1
820 1 71 ARG QG 1 94 ASN HA 4.200 . 5.400 5.813 5.727 5.950 0.550 1 1 "[+ . 1]" 1
821 1 71 ARG QG 1 101 ALA MB 4.200 . 5.400 4.881 4.626 5.371 . 0 0 "[ . 1]" 1
822 1 71 ARG QG 1 124 GLU HA 4.200 . 5.400 5.505 5.239 5.741 0.341 4 0 "[ . 1]" 1
823 1 72 ILE H 1 72 ILE HB 3.000 . 3.800 2.548 2.404 2.704 . 0 0 "[ . 1]" 1
824 1 72 ILE H 1 72 ILE MD 4.200 . 5.400 3.033 1.715 3.728 0.285 5 0 "[ . 1]" 1
825 1 72 ILE H 1 72 ILE HG12 4.200 . 5.400 3.414 3.117 3.743 . 0 0 "[ . 1]" 1
826 1 72 ILE H 1 72 ILE HG13 4.200 . 5.400 2.656 1.965 3.893 0.035 9 0 "[ . 1]" 1
827 1 72 ILE H 1 72 ILE MG 4.200 . 5.400 3.850 3.810 3.925 . 0 0 "[ . 1]" 1
828 1 72 ILE H 1 73 GLY H 4.200 . 5.400 3.489 3.362 3.781 . 0 0 "[ . 1]" 1
829 1 72 ILE HA 1 73 GLY H 3.000 . 3.800 3.450 3.416 3.488 . 0 0 "[ . 1]" 1
830 1 72 ILE HA 1 74 GLN H 4.200 . 5.400 3.922 3.700 4.698 . 0 0 "[ . 1]" 1
831 1 72 ILE HB 1 73 GLY H 4.200 . 5.400 1.819 1.746 1.983 0.254 4 0 "[ . 1]" 1
832 1 72 ILE MD 1 73 GLY H 4.200 . 5.400 3.786 3.500 4.089 . 0 0 "[ . 1]" 1
833 1 72 ILE MG 1 73 GLY H 3.600 . 4.600 2.004 1.830 2.299 0.170 7 0 "[ . 1]" 1
834 1 72 ILE MG 1 73 GLY HA2 4.200 . 5.400 3.393 2.744 3.787 . 0 0 "[ . 1]" 1
835 1 72 ILE MG 1 73 GLY HA3 4.200 . 5.400 2.804 2.674 3.061 . 0 0 "[ . 1]" 1
836 1 72 ILE MG 1 74 GLN HA 4.200 . 5.400 6.074 5.979 6.121 0.721 2 10 [*+****-***] 1
837 1 72 ILE MG 1 75 PRO QB 4.200 . 5.400 5.233 4.514 6.106 0.706 7 1 "[ . + 1]" 1
838 1 72 ILE MG 1 75 PRO QD 4.200 . 5.400 4.526 4.355 4.614 . 0 0 "[ . 1]" 1
839 1 72 ILE MG 1 75 PRO HG2 4.200 . 5.400 4.136 3.822 4.769 . 0 0 "[ . 1]" 1
840 1 72 ILE MG 1 75 PRO HG3 4.200 . 5.400 5.355 5.189 5.450 0.050 1 0 "[ . 1]" 1
841 1 73 GLY H 1 74 GLN H 4.200 . 5.400 3.175 2.564 3.346 . 0 0 "[ . 1]" 1
842 1 73 GLY HA2 1 74 GLN H 4.200 . 5.400 3.252 3.186 3.331 . 0 0 "[ . 1]" 1
843 1 73 GLY HA3 1 74 GLN H 4.200 . 5.400 3.493 3.390 3.565 . 0 0 "[ . 1]" 1
844 1 74 GLN H 1 74 GLN QB 3.600 . 4.600 2.199 2.100 2.488 . 0 0 "[ . 1]" 1
845 1 74 GLN H 1 74 GLN QG 3.000 . 3.800 3.411 2.435 3.999 0.199 10 0 "[ . 1]" 1
846 1 74 GLN H 1 75 PRO QD 4.200 . 5.400 2.243 2.006 2.375 . 0 0 "[ . 1]" 1
847 1 74 GLN H 1 75 PRO HG2 4.200 . 5.400 3.991 3.782 4.142 . 0 0 "[ . 1]" 1
848 1 74 GLN HA 1 75 PRO QD 4.200 . 5.400 3.522 3.470 3.595 . 0 0 "[ . 1]" 1
849 1 74 GLN QB 1 75 PRO QD 4.200 . 5.400 2.094 1.940 3.248 0.060 2 0 "[ . 1]" 1
850 1 74 GLN HE21 1 74 GLN QG 3.600 . 4.600 2.401 2.245 2.855 . 0 0 "[ . 1]" 1
851 1 74 GLN HE22 1 74 GLN QG 3.600 . 4.600 3.340 3.266 3.508 . 0 0 "[ . 1]" 1
852 1 74 GLN QG 1 75 PRO QD 4.200 . 5.400 3.393 1.766 3.781 0.234 7 0 "[ . 1]" 1
853 1 76 PHE HA 1 79 ASP H 4.200 . 5.400 5.439 4.851 5.652 0.252 5 0 "[ . 1]" 1
854 1 77 LYS H 1 77 LYS HA 2.500 . 2.900 2.698 2.351 3.015 0.115 8 0 "[ . 1]" 1
855 1 77 LYS H 1 77 LYS HB2 4.200 . 5.400 3.392 2.910 4.093 . 0 0 "[ . 1]" 1
856 1 77 LYS H 1 77 LYS HB3 4.200 . 5.400 3.627 2.872 4.114 . 0 0 "[ . 1]" 1
857 1 78 GLY H 1 79 ASP H 4.200 . 5.400 2.692 1.940 3.007 0.060 7 0 "[ . 1]" 1
858 1 78 GLY HA2 1 79 ASP H 3.600 . 4.600 3.035 2.692 3.187 . 0 0 "[ . 1]" 1
859 1 78 GLY HA2 1 80 ASP H 4.200 . 5.400 3.278 2.994 4.002 . 0 0 "[ . 1]" 1
860 1 78 GLY HA3 1 79 ASP H 4.200 . 5.400 3.483 3.416 3.594 . 0 0 "[ . 1]" 1
861 1 79 ASP H 1 79 ASP QB 3.600 . 4.600 3.227 3.044 3.469 . 0 0 "[ . 1]" 1
862 1 79 ASP H 1 80 ASP H 4.200 . 5.400 2.746 1.964 3.049 0.036 9 0 "[ . 1]" 1
863 1 79 ASP H 1 82 LEU H 4.200 . 5.400 4.527 3.826 5.473 0.073 7 0 "[ . 1]" 1
864 1 79 ASP HA 1 81 ILE H 4.200 . 5.400 3.783 3.113 4.599 . 0 0 "[ . 1]" 1
865 1 79 ASP HA 1 82 LEU H 4.200 . 5.400 3.374 2.790 3.925 . 0 0 "[ . 1]" 1
866 1 80 ASP H 1 80 ASP HB3 4.200 . 5.400 3.353 2.575 3.932 . 0 0 "[ . 1]" 1
867 1 80 ASP H 1 81 ILE H 4.200 . 5.400 2.250 1.894 2.487 0.106 5 0 "[ . 1]" 1
868 1 80 ASP H 1 81 ILE MG 4.200 . 5.400 4.999 3.771 5.566 0.166 3 0 "[ . 1]" 1
869 1 80 ASP H 1 82 LEU H 4.200 . 5.400 3.892 3.363 4.369 . 0 0 "[ . 1]" 1
870 1 80 ASP HA 1 81 ILE H 4.200 . 5.400 3.473 3.343 3.575 . 0 0 "[ . 1]" 1
871 1 80 ASP HA 1 82 LEU H 4.200 . 5.400 4.067 3.825 4.334 . 0 0 "[ . 1]" 1
872 1 80 ASP HA 1 92 ALA MB 4.200 . 5.400 4.259 3.283 5.120 . 0 0 "[ . 1]" 1
873 1 80 ASP HB2 1 92 ALA MB 4.200 . 5.400 3.219 2.074 4.275 . 0 0 "[ . 1]" 1
874 1 80 ASP HB3 1 92 ALA MB 4.200 . 5.400 2.874 2.166 4.058 . 0 0 "[ . 1]" 1
875 1 81 ILE H 1 81 ILE HB 3.600 . 4.600 2.857 2.340 3.613 . 0 0 "[ . 1]" 1
876 1 81 ILE H 1 81 ILE MD 4.200 . 5.400 3.620 3.427 3.895 . 0 0 "[ . 1]" 1
877 1 81 ILE H 1 81 ILE MG 4.200 . 5.400 3.363 2.269 3.790 . 0 0 "[ . 1]" 1
878 1 81 ILE H 1 82 LEU H 3.600 . 4.600 2.474 2.398 2.579 . 0 0 "[ . 1]" 1
879 1 81 ILE HA 1 82 LEU H 4.200 . 5.400 3.454 3.415 3.513 . 0 0 "[ . 1]" 1
880 1 81 ILE HA 1 84 ALA H 4.200 . 5.400 2.772 2.434 3.057 . 0 0 "[ . 1]" 1
881 1 81 ILE HA 1 84 ALA MB 4.200 . 5.400 2.530 2.136 2.768 . 0 0 "[ . 1]" 1
882 1 81 ILE HB 1 82 LEU H 4.200 . 5.400 3.353 2.964 3.949 . 0 0 "[ . 1]" 1
883 1 81 ILE MD 1 84 ALA MB 4.200 . 5.400 4.588 4.192 5.357 . 0 0 "[ . 1]" 1
884 1 81 ILE MD 1 105 PHE QD 4.200 . 5.400 4.339 3.567 5.548 0.148 4 0 "[ . 1]" 1
885 1 81 ILE MD 1 105 PHE QE 4.200 . 5.400 3.158 2.441 4.593 . 0 0 "[ . 1]" 1
886 1 81 ILE MD 1 118 VAL HB 4.200 . 5.400 4.405 3.819 5.167 . 0 0 "[ . 1]" 1
887 1 81 ILE MD 1 118 VAL MG1 4.200 . 5.400 3.664 3.348 4.086 . 0 0 "[ . 1]" 1
888 1 81 ILE MD 1 118 VAL MG2 4.200 . 5.400 4.096 2.956 4.893 . 0 0 "[ . 1]" 1
889 1 81 ILE MD 1 120 ALA MB 4.200 . 5.400 4.357 3.100 5.529 0.129 4 0 "[ . 1]" 1
890 1 81 ILE MG 1 118 VAL HA 4.200 . 5.400 5.335 4.983 5.601 0.201 1 0 "[ . 1]" 1
891 1 82 LEU H 1 82 LEU HA 3.000 . 3.800 2.833 2.801 2.877 . 0 0 "[ . 1]" 1
892 1 82 LEU H 1 82 LEU HB2 2.500 . 2.900 2.370 2.170 2.791 . 0 0 "[ . 1]" 1
893 1 82 LEU H 1 82 LEU HB3 3.000 . 3.800 3.600 3.513 3.709 . 0 0 "[ . 1]" 1
894 1 82 LEU H 1 82 LEU MD1 4.200 . 5.400 3.897 3.601 4.095 . 0 0 "[ . 1]" 1
895 1 82 LEU H 1 82 LEU MD2 2.500 . 2.900 2.129 1.790 2.929 0.210 10 0 "[ . 1]" 1
896 1 82 LEU H 1 82 LEU HG 3.000 . 3.800 3.444 1.942 3.887 0.087 1 0 "[ . 1]" 1
897 1 82 LEU H 1 83 LYS H 4.200 . 5.400 2.842 2.625 3.139 . 0 0 "[ . 1]" 1
898 1 82 LEU H 1 84 ALA H 4.200 . 5.400 4.159 3.987 4.406 . 0 0 "[ . 1]" 1
899 1 82 LEU HA 1 83 LYS H 4.200 . 5.400 3.507 3.458 3.562 . 0 0 "[ . 1]" 1
900 1 82 LEU HA 1 84 ALA H 4.200 . 5.400 4.521 4.232 4.833 . 0 0 "[ . 1]" 1
901 1 82 LEU HA 1 85 LEU H 4.200 . 5.400 3.899 3.523 4.337 . 0 0 "[ . 1]" 1
902 1 82 LEU HA 1 85 LEU QB 4.200 . 5.400 2.633 2.358 2.874 . 0 0 "[ . 1]" 1
903 1 82 LEU HA 1 85 LEU MD2 4.200 . 5.400 4.818 4.524 5.115 . 0 0 "[ . 1]" 1
904 1 82 LEU HB3 1 83 LYS H 4.200 . 5.400 3.391 2.861 3.908 . 0 0 "[ . 1]" 1
905 1 83 LYS H 1 83 LYS QB 3.000 . 3.800 2.409 2.304 2.630 . 0 0 "[ . 1]" 1
906 1 83 LYS H 1 83 LYS QG 4.200 . 5.400 2.366 1.884 2.632 0.116 2 0 "[ . 1]" 1
907 1 83 LYS H 1 84 ALA H 4.200 . 5.400 2.540 2.328 2.618 . 0 0 "[ . 1]" 1
908 1 83 LYS HA 1 84 ALA H 4.200 . 5.400 3.608 3.568 3.673 . 0 0 "[ . 1]" 1
909 1 83 LYS HA 1 86 ASN HB2 4.200 . 5.400 4.868 3.321 5.749 0.349 6 0 "[ . 1]" 1
910 1 83 LYS HA 1 86 ASN HB3 4.200 . 5.400 4.852 3.869 5.721 0.321 2 0 "[ . 1]" 1
911 1 83 LYS QB 1 84 ALA H 4.200 . 5.400 2.792 2.615 3.034 . 0 0 "[ . 1]" 1
912 1 84 ALA H 1 84 ALA MB 3.000 . 3.800 2.275 2.114 2.361 . 0 0 "[ . 1]" 1
913 1 84 ALA H 1 85 LEU H 3.000 . 3.800 2.352 2.242 2.512 . 0 0 "[ . 1]" 1
914 1 84 ALA H 1 85 LEU HB3 4.200 . 5.400 5.468 4.620 5.784 0.384 9 0 "[ . 1]" 1
915 1 84 ALA H 1 85 LEU MD1 4.200 . 5.400 5.263 4.458 5.960 0.560 4 1 "[ +. 1]" 1
916 1 84 ALA HA 1 85 LEU H 4.200 . 5.400 3.455 3.359 3.542 . 0 0 "[ . 1]" 1
917 1 84 ALA HA 1 86 ASN H 4.200 . 5.400 3.690 3.399 3.918 . 0 0 "[ . 1]" 1
918 1 84 ALA HA 1 118 VAL MG1 4.200 . 5.400 4.493 4.073 5.444 0.044 1 0 "[ . 1]" 1
919 1 84 ALA HA 1 118 VAL MG2 4.200 . 5.400 3.985 3.355 5.639 0.239 7 0 "[ . 1]" 1
920 1 84 ALA MB 1 85 LEU H 3.600 . 4.600 2.610 2.267 2.918 . 0 0 "[ . 1]" 1
921 1 84 ALA MB 1 85 LEU HA 4.200 . 5.400 3.850 3.629 3.935 . 0 0 "[ . 1]" 1
922 1 84 ALA MB 1 85 LEU MD1 4.200 . 5.400 5.091 4.520 5.395 . 0 0 "[ . 1]" 1
923 1 84 ALA MB 1 86 ASN H 4.200 . 5.400 4.297 4.236 4.394 . 0 0 "[ . 1]" 1
924 1 84 ALA MB 1 105 PHE QD 4.200 . 5.400 3.279 3.007 3.568 . 0 0 "[ . 1]" 1
925 1 84 ALA MB 1 105 PHE QE 4.200 . 5.400 4.657 4.258 5.039 . 0 0 "[ . 1]" 1
926 1 84 ALA MB 1 107 PRO HA 4.200 . 5.400 3.720 2.314 4.209 . 0 0 "[ . 1]" 1
927 1 84 ALA MB 1 107 PRO HD2 4.200 . 5.400 5.395 4.574 5.668 0.268 6 0 "[ . 1]" 1
928 1 84 ALA MB 1 107 PRO HD3 4.200 . 5.400 4.230 3.689 4.439 . 0 0 "[ . 1]" 1
929 1 84 ALA MB 1 118 VAL HA 4.200 . 5.400 3.900 2.463 4.690 . 0 0 "[ . 1]" 1
930 1 84 ALA MB 1 118 VAL HB 4.200 . 5.400 4.124 3.648 5.122 . 0 0 "[ . 1]" 1
931 1 84 ALA MB 1 118 VAL MG1 4.200 . 5.400 2.251 1.939 2.914 0.061 10 0 "[ . 1]" 1
932 1 84 ALA MB 1 118 VAL MG2 4.200 . 5.400 2.429 1.880 4.156 0.120 1 0 "[ . 1]" 1
933 1 85 LEU H 1 85 LEU HB2 3.000 . 3.800 2.212 2.094 2.309 . 0 0 "[ . 1]" 1
934 1 85 LEU H 1 85 LEU HB3 3.600 . 4.600 3.418 2.908 3.597 . 0 0 "[ . 1]" 1
935 1 85 LEU H 1 85 LEU MD1 3.000 . 3.800 3.799 3.315 4.108 0.308 4 0 "[ . 1]" 1
936 1 85 LEU H 1 85 LEU MD2 4.200 . 5.400 4.114 3.607 4.355 . 0 0 "[ . 1]" 1
937 1 85 LEU H 1 86 ASN H 3.000 . 3.800 2.863 2.767 3.056 . 0 0 "[ . 1]" 1
938 1 85 LEU HA 1 86 ASN H 3.600 . 4.600 3.492 3.443 3.522 . 0 0 "[ . 1]" 1
939 1 85 LEU HB2 1 86 ASN H 3.000 . 3.800 3.216 2.787 3.604 . 0 0 "[ . 1]" 1
940 1 85 LEU HB3 1 86 ASN H 3.600 . 4.600 3.140 2.408 3.660 . 0 0 "[ . 1]" 1
941 1 85 LEU MD1 1 86 ASN H 4.200 . 5.400 4.705 3.564 5.161 . 0 0 "[ . 1]" 1
942 1 85 LEU MD1 1 118 VAL MG2 4.200 . 5.400 4.319 3.394 4.888 . 0 0 "[ . 1]" 1
943 1 85 LEU MD2 1 118 VAL MG2 4.200 . 5.400 3.122 1.879 3.810 0.121 4 0 "[ . 1]" 1
944 1 86 ASN H 1 86 ASN HA 3.000 . 3.800 2.894 2.770 2.970 . 0 0 "[ . 1]" 1
945 1 86 ASN H 1 86 ASN HB2 2.500 . 2.900 2.971 2.197 3.416 0.516 10 1 "[ . +]" 1
946 1 86 ASN H 1 86 ASN HB3 3.000 . 3.800 2.923 2.322 3.689 . 0 0 "[ . 1]" 1
947 1 86 ASN H 1 86 ASN QD 2.500 . 2.900 2.213 1.791 3.000 0.209 6 0 "[ . 1]" 1
948 1 86 ASN H 1 87 GLY H 2.500 . 2.900 3.144 2.734 3.355 0.455 5 0 "[ . 1]" 1
949 1 86 ASN H 1 87 GLY HA2 4.200 . 5.400 5.424 5.158 5.627 0.227 10 0 "[ . 1]" 1
950 1 86 ASN H 1 87 GLY HA3 4.200 . 5.400 4.926 4.723 5.186 . 0 0 "[ . 1]" 1
951 1 86 ASN H 1 88 GLU H 4.200 . 5.400 4.487 3.931 5.577 0.177 2 0 "[ . 1]" 1
952 1 86 ASN HA 1 87 GLY H 4.200 . 5.400 3.366 3.039 3.592 . 0 0 "[ . 1]" 1
953 1 86 ASN HB2 1 87 GLY H 4.200 . 5.400 2.607 1.966 4.107 0.034 5 0 "[ . 1]" 1
954 1 86 ASN HB3 1 87 GLY H 4.200 . 5.400 3.277 1.914 4.528 0.086 7 0 "[ . 1]" 1
955 1 86 ASN QD 1 87 GLY H 4.200 . 5.400 2.774 1.611 4.344 0.389 10 0 "[ . 1]" 1
956 1 86 ASN QD 1 117 GLY H 4.200 . 5.400 5.487 5.297 5.666 0.266 5 0 "[ . 1]" 1
957 1 87 GLY H 1 87 GLY HA2 3.000 . 3.800 2.714 2.429 2.923 . 0 0 "[ . 1]" 1
958 1 87 GLY H 1 88 GLU H 3.600 . 4.600 2.827 1.922 4.366 0.078 10 0 "[ . 1]" 1
959 1 87 GLY H 1 88 GLU HA 4.200 . 5.400 4.921 4.443 5.596 0.196 2 0 "[ . 1]" 1
960 1 87 GLY HA2 1 88 GLU H 4.200 . 5.400 3.563 3.285 3.730 . 0 0 "[ . 1]" 1
961 1 87 GLY HA2 1 107 PRO HG2 4.200 . 5.400 5.208 4.632 5.591 0.191 2 0 "[ . 1]" 1
962 1 87 GLY HA2 1 107 PRO HG3 4.200 . 5.400 4.379 3.891 4.834 . 0 0 "[ . 1]" 1
963 1 87 GLY HA3 1 88 GLU H 4.200 . 5.400 2.660 1.966 3.038 0.034 2 0 "[ . 1]" 1
964 1 87 GLY HA3 1 107 PRO HG2 4.200 . 5.400 4.196 3.291 4.778 . 0 0 "[ . 1]" 1
965 1 87 GLY HA3 1 107 PRO HG3 4.200 . 5.400 3.418 2.251 4.441 . 0 0 "[ . 1]" 1
966 1 88 GLU H 1 88 GLU HA 3.000 . 3.800 2.903 2.690 3.016 . 0 0 "[ . 1]" 1
967 1 88 GLU H 1 88 GLU HB2 3.000 . 3.800 3.100 2.637 3.593 . 0 0 "[ . 1]" 1
968 1 88 GLU H 1 88 GLU HB3 3.600 . 4.600 3.510 2.816 4.052 . 0 0 "[ . 1]" 1
969 1 88 GLU H 1 88 GLU QG 3.600 . 4.600 3.889 3.068 4.538 . 0 0 "[ . 1]" 1
970 1 88 GLU H 1 89 GLU H 4.200 . 5.400 4.389 4.106 4.529 . 0 0 "[ . 1]" 1
971 1 88 GLU H 1 89 GLU HA 3.600 . 4.600 4.900 4.723 5.107 0.507 3 1 "[ + . 1]" 1
972 1 88 GLU HB2 1 89 GLU H 3.600 . 4.600 3.912 3.542 4.387 . 0 0 "[ . 1]" 1
973 1 89 GLU H 1 89 GLU HA 2.500 . 2.900 2.915 2.822 2.991 0.091 4 0 "[ . 1]" 1
974 1 89 GLU H 1 89 GLU QB 2.500 . 2.900 2.508 2.366 2.654 . 0 0 "[ . 1]" 1
975 1 89 GLU H 1 89 GLU QG 3.000 . 3.800 2.476 2.020 3.724 . 0 0 "[ . 1]" 1
976 1 89 GLU H 1 90 ASN HA 4.200 . 5.400 5.488 4.940 5.675 0.275 3 0 "[ . 1]" 1
977 1 89 GLU HA 1 90 ASN H 3.600 . 4.600 2.391 2.220 2.487 . 0 0 "[ . 1]" 1
978 1 89 GLU HA 1 106 THR HA 4.200 . 5.400 2.897 2.497 3.698 . 0 0 "[ . 1]" 1
979 1 89 GLU QG 1 90 ASN H 4.200 . 5.400 4.096 3.824 4.343 . 0 0 "[ . 1]" 1
980 1 90 ASN H 1 90 ASN HB2 4.200 . 5.400 3.243 2.905 3.619 . 0 0 "[ . 1]" 1
981 1 90 ASN H 1 90 ASN HB3 4.200 . 5.400 3.528 3.078 3.995 . 0 0 "[ . 1]" 1
982 1 90 ASN H 1 90 ASN QD 4.200 . 5.400 4.563 3.460 5.027 . 0 0 "[ . 1]" 1
983 1 90 ASN H 1 91 VAL H 4.200 . 5.400 4.252 4.139 4.331 . 0 0 "[ . 1]" 1
984 1 90 ASN H 1 91 VAL HB 3.600 . 4.600 4.908 4.616 5.127 0.527 7 1 "[ . + 1]" 1
985 1 90 ASN H 1 105 PHE H 4.200 . 5.400 2.917 2.542 3.211 . 0 0 "[ . 1]" 1
986 1 90 ASN H 1 105 PHE QB 4.200 . 5.400 2.517 2.267 2.884 . 0 0 "[ . 1]" 1
987 1 90 ASN H 1 106 THR HA 4.200 . 5.400 4.295 3.956 4.666 . 0 0 "[ . 1]" 1
988 1 90 ASN HA 1 91 VAL H 3.000 . 3.800 2.334 2.184 2.451 . 0 0 "[ . 1]" 1
989 1 90 ASN HA 1 105 PHE HB2 4.200 . 5.400 4.175 3.984 4.356 . 0 0 "[ . 1]" 1
990 1 90 ASN HA 1 105 PHE HB3 4.200 . 5.400 5.568 5.428 5.691 0.291 10 0 "[ . 1]" 1
991 1 90 ASN HA 1 105 PHE QD 4.200 . 5.400 4.722 3.920 5.129 . 0 0 "[ . 1]" 1
992 1 90 ASN HB2 1 91 VAL H 4.200 . 5.400 4.190 4.032 4.325 . 0 0 "[ . 1]" 1
993 1 90 ASN HB2 1 105 PHE QD 4.200 . 5.400 3.973 2.322 4.866 . 0 0 "[ . 1]" 1
994 1 90 ASN HB3 1 91 VAL H 4.200 . 5.400 3.498 2.779 4.104 . 0 0 "[ . 1]" 1
995 1 90 ASN HB3 1 105 PHE QD 4.200 . 5.400 3.076 2.349 3.912 . 0 0 "[ . 1]" 1
996 1 91 VAL H 1 91 VAL HA 3.000 . 3.800 3.002 2.971 3.024 . 0 0 "[ . 1]" 1
997 1 91 VAL H 1 91 VAL HB 4.200 . 5.400 2.651 2.388 3.134 . 0 0 "[ . 1]" 1
998 1 91 VAL H 1 91 VAL MG1 4.200 . 5.400 3.131 2.189 3.657 . 0 0 "[ . 1]" 1
999 1 91 VAL H 1 91 VAL MG2 4.200 . 5.400 3.647 3.333 4.031 . 0 0 "[ . 1]" 1
1000 1 91 VAL HA 1 92 ALA H 3.600 . 4.600 2.250 2.133 2.389 . 0 0 "[ . 1]" 1
1001 1 91 VAL HA 1 103 ARG H 4.200 . 5.400 4.817 4.242 5.126 . 0 0 "[ . 1]" 1
1002 1 91 VAL HA 1 104 VAL HA 4.200 . 5.400 2.488 2.301 2.702 . 0 0 "[ . 1]" 1
1003 1 91 VAL HA 1 104 VAL HB 4.200 . 5.400 4.747 4.623 4.912 . 0 0 "[ . 1]" 1
1004 1 91 VAL HA 1 104 VAL QG 4.200 . 5.400 3.683 3.432 3.790 . 0 0 "[ . 1]" 1
1005 1 91 VAL HA 1 105 PHE H 4.200 . 5.400 3.325 3.003 3.702 . 0 0 "[ . 1]" 1
1006 1 91 VAL HB 1 104 VAL QG 4.200 . 5.400 3.691 2.245 4.495 . 0 0 "[ . 1]" 1
1007 1 91 VAL MG1 1 92 ALA H 4.200 . 5.400 3.088 2.622 3.881 . 0 0 "[ . 1]" 1
1008 1 91 VAL MG1 1 104 VAL HA 4.200 . 5.400 4.020 3.857 4.320 . 0 0 "[ . 1]" 1
1009 1 91 VAL MG1 1 104 VAL HB 4.200 . 5.400 5.446 5.268 5.668 0.268 2 0 "[ . 1]" 1
1010 1 91 VAL MG1 1 104 VAL QG 4.200 . 5.400 3.403 3.275 3.477 . 0 0 "[ . 1]" 1
1011 1 91 VAL MG2 1 92 ALA H 3.600 . 4.600 3.215 2.085 3.628 . 0 0 "[ . 1]" 1
1012 1 91 VAL MG2 1 104 VAL HA 4.200 . 5.400 2.214 2.102 2.384 . 0 0 "[ . 1]" 1
1013 1 91 VAL MG2 1 104 VAL QG 4.200 . 5.400 1.952 1.856 2.119 0.144 6 0 "[ . 1]" 1
1014 1 92 ALA H 1 92 ALA MB 4.200 . 5.400 2.665 2.609 2.758 . 0 0 "[ . 1]" 1
1015 1 92 ALA H 1 93 ILE H 4.200 . 5.400 4.394 4.323 4.445 . 0 0 "[ . 1]" 1
1016 1 92 ALA H 1 102 LEU HA 4.200 . 5.400 5.178 4.618 5.456 0.056 9 0 "[ . 1]" 1
1017 1 92 ALA H 1 103 ARG H 4.200 . 5.400 3.325 2.774 3.628 . 0 0 "[ . 1]" 1
1018 1 92 ALA H 1 104 VAL HA 4.200 . 5.400 3.839 3.591 4.061 . 0 0 "[ . 1]" 1
1019 1 92 ALA HA 1 93 ILE H 3.000 . 3.800 2.413 2.325 2.551 . 0 0 "[ . 1]" 1
1020 1 92 ALA MB 1 94 ASN HB2 4.200 . 5.400 5.361 5.052 5.487 0.087 3 0 "[ . 1]" 1
1021 1 92 ALA MB 1 105 PHE QD 4.200 . 5.400 3.844 3.643 4.040 . 0 0 "[ . 1]" 1
1022 1 92 ALA MB 1 105 PHE QE 4.200 . 5.400 2.649 2.066 3.122 . 0 0 "[ . 1]" 1
1023 1 93 ILE H 1 93 ILE HB 2.500 . 2.900 2.761 2.571 2.863 . 0 0 "[ . 1]" 1
1024 1 93 ILE H 1 93 ILE MD 4.200 . 5.400 3.062 1.879 3.796 0.121 9 0 "[ . 1]" 1
1025 1 93 ILE H 1 93 ILE QG 4.200 . 5.400 2.253 1.883 2.879 0.117 1 0 "[ . 1]" 1
1026 1 93 ILE H 1 93 ILE MG 4.200 . 5.400 3.845 3.788 3.910 . 0 0 "[ . 1]" 1
1027 1 93 ILE H 1 94 ASN H 4.200 . 5.400 4.571 4.511 4.630 . 0 0 "[ . 1]" 1
1028 1 93 ILE HA 1 94 ASN H 3.000 . 3.800 2.190 2.150 2.221 . 0 0 "[ . 1]" 1
1029 1 93 ILE HA 1 102 LEU HA 4.200 . 5.400 2.382 2.242 2.620 . 0 0 "[ . 1]" 1
1030 1 93 ILE HA 1 102 LEU HG 4.200 . 5.400 3.806 3.449 4.635 . 0 0 "[ . 1]" 1
1031 1 93 ILE HA 1 103 ARG H 4.200 . 5.400 3.450 3.036 3.822 . 0 0 "[ . 1]" 1
1032 1 93 ILE HB 1 94 ASN H 3.600 . 4.600 3.905 3.726 4.018 . 0 0 "[ . 1]" 1
1033 1 93 ILE MD 1 102 LEU HA 4.200 . 5.400 5.011 4.597 5.271 . 0 0 "[ . 1]" 1
1034 1 93 ILE MD 1 102 LEU HG 4.200 . 5.400 5.234 4.964 5.545 0.145 8 0 "[ . 1]" 1
1035 1 93 ILE QG 1 102 LEU HG 4.200 . 5.400 3.832 3.469 4.452 . 0 0 "[ . 1]" 1
1036 1 93 ILE MG 1 102 LEU HA 4.200 . 5.400 3.050 2.799 3.557 . 0 0 "[ . 1]" 1
1037 1 93 ILE MG 1 102 LEU HG 4.200 . 5.400 4.463 4.157 5.226 . 0 0 "[ . 1]" 1
1038 1 94 ASN H 1 94 ASN HB2 4.200 . 5.400 2.832 2.233 3.315 . 0 0 "[ . 1]" 1
1039 1 94 ASN H 1 94 ASN HB3 4.200 . 5.400 2.622 2.418 3.268 . 0 0 "[ . 1]" 1
1040 1 94 ASN H 1 101 ALA H 4.200 . 5.400 3.173 2.903 3.566 . 0 0 "[ . 1]" 1
1041 1 94 ASN H 1 101 ALA MB 4.200 . 5.400 3.638 3.154 4.307 . 0 0 "[ . 1]" 1
1042 1 94 ASN H 1 102 LEU HA 4.200 . 5.400 3.259 2.981 3.549 . 0 0 "[ . 1]" 1
1043 1 94 ASN H 1 102 LEU QB 4.200 . 5.400 5.186 4.959 5.408 0.008 4 0 "[ . 1]" 1
1044 1 94 ASN H 1 103 ARG H 4.200 . 5.400 4.479 4.016 5.069 . 0 0 "[ . 1]" 1
1045 1 94 ASN H 1 103 ARG HD2 4.200 . 5.400 4.546 3.003 5.425 0.025 6 0 "[ . 1]" 1
1046 1 94 ASN H 1 103 ARG HD3 4.200 . 5.400 3.670 3.387 4.079 . 0 0 "[ . 1]" 1
1047 1 94 ASN HB2 1 101 ALA MB 4.200 . 5.400 4.120 2.907 5.066 . 0 0 "[ . 1]" 1
1048 1 94 ASN HB3 1 101 ALA MB 4.200 . 5.400 2.916 2.207 3.835 . 0 0 "[ . 1]" 1
1049 1 95 ARG HA 1 96 GLY H 3.600 . 4.600 2.217 2.150 2.411 . 0 0 "[ . 1]" 1
1050 1 95 ARG HA 1 101 ALA H 4.200 . 5.400 4.044 3.501 4.693 . 0 0 "[ . 1]" 1
1051 1 95 ARG QB 1 96 GLY H 4.200 . 5.400 3.619 3.418 3.984 . 0 0 "[ . 1]" 1
1052 1 95 ARG QB 1 101 ALA H 4.200 . 5.400 4.604 3.686 5.555 0.155 2 0 "[ . 1]" 1
1053 1 96 GLY H 1 96 GLY QA 4.200 . 5.400 2.496 2.392 2.527 . 0 0 "[ . 1]" 1
1054 1 96 GLY H 1 97 PHE H 4.200 . 5.400 4.084 3.772 4.539 . 0 0 "[ . 1]" 1
1055 1 96 GLY H 1 98 LEU H 4.200 . 5.400 3.841 2.382 5.231 . 0 0 "[ . 1]" 1
1056 1 96 GLY QA 1 97 PHE H 4.200 . 5.400 2.216 2.140 2.304 . 0 0 "[ . 1]" 1
1057 1 97 PHE H 1 97 PHE HB2 4.200 . 5.400 2.887 2.313 3.480 . 0 0 "[ . 1]" 1
1058 1 97 PHE H 1 97 PHE HB3 4.200 . 5.400 3.661 2.847 4.117 . 0 0 "[ . 1]" 1
1059 1 97 PHE H 1 98 LEU H 3.600 . 4.600 3.396 2.704 4.520 . 0 0 "[ . 1]" 1
1060 1 98 LEU H 1 98 LEU QB 3.600 . 4.600 2.813 2.521 3.138 . 0 0 "[ . 1]" 1
1061 1 98 LEU H 1 98 LEU MD1 4.200 . 5.400 3.447 1.900 4.586 0.100 6 0 "[ . 1]" 1
1062 1 98 LEU H 1 98 LEU MD2 4.200 . 5.400 3.973 2.880 4.956 . 0 0 "[ . 1]" 1
1063 1 98 LEU H 1 98 LEU HG 4.200 . 5.400 3.046 1.890 4.752 0.110 6 0 "[ . 1]" 1
1064 1 98 LEU H 1 99 ALA H 4.200 . 5.400 3.143 1.982 4.445 0.018 3 0 "[ . 1]" 1
1065 1 98 LEU HA 1 99 ALA H 3.000 . 3.800 3.415 2.606 3.585 . 0 0 "[ . 1]" 1
1066 1 98 LEU QB 1 99 ALA H 3.000 . 3.800 2.523 1.786 3.867 0.214 8 0 "[ . 1]" 1
1067 1 98 LEU MD1 1 99 ALA H 3.600 . 4.600 3.292 1.958 4.345 0.042 6 0 "[ . 1]" 1
1068 1 98 LEU MD1 1 99 ALA MB 4.200 . 5.400 4.123 2.550 4.989 . 0 0 "[ . 1]" 1
1069 1 98 LEU MD2 1 99 ALA H 4.200 . 5.400 4.188 3.261 4.779 . 0 0 "[ . 1]" 1
1070 1 98 LEU MD2 1 99 ALA MB 4.200 . 5.400 4.614 3.837 5.072 . 0 0 "[ . 1]" 1
1071 1 98 LEU HG 1 99 ALA H 3.000 . 3.800 3.391 1.936 4.141 0.341 5 0 "[ . 1]" 1
1072 1 99 ALA H 1 99 ALA MB 3.000 . 3.800 2.619 2.172 2.976 . 0 0 "[ . 1]" 1
1073 1 99 ALA H 1 100 GLN H 4.200 . 5.400 3.885 2.644 4.369 . 0 0 "[ . 1]" 1
1074 1 99 ALA HA 1 100 GLN H 3.000 . 3.800 2.736 2.307 3.463 . 0 0 "[ . 1]" 1
1075 1 99 ALA MB 1 100 GLN H 3.600 . 4.600 2.747 1.773 3.464 0.227 7 0 "[ . 1]" 1
1076 1 99 ALA MB 1 101 ALA MB 4.200 . 5.400 4.140 3.484 4.557 . 0 0 "[ . 1]" 1
1077 1 99 ALA MB 1 124 GLU HA 4.200 . 5.400 5.051 4.338 5.474 0.074 10 0 "[ . 1]" 1
1078 1 99 ALA MB 1 124 GLU QB 4.200 . 5.400 5.425 5.034 5.647 0.247 8 0 "[ . 1]" 1
1079 1 99 ALA MB 1 124 GLU HG2 4.200 . 5.400 4.613 3.727 5.569 0.169 8 0 "[ . 1]" 1
1080 1 99 ALA MB 1 124 GLU HG3 4.200 . 5.400 4.926 4.063 5.600 0.200 10 0 "[ . 1]" 1
1081 1 100 GLN H 1 100 GLN HA 3.000 . 3.800 2.806 2.715 2.990 . 0 0 "[ . 1]" 1
1082 1 100 GLN H 1 100 GLN QB 2.500 . 2.900 2.547 2.120 2.994 0.094 7 0 "[ . 1]" 1
1083 1 100 GLN H 1 100 GLN QG 4.200 . 5.400 2.464 1.898 3.885 0.102 8 0 "[ . 1]" 1
1084 1 100 GLN H 1 101 ALA H 4.200 . 5.400 4.513 4.134 4.713 . 0 0 "[ . 1]" 1
1085 1 100 GLN HA 1 101 ALA H 2.500 . 2.900 2.230 2.113 2.382 . 0 0 "[ . 1]" 1
1086 1 100 GLN QB 1 101 ALA H 4.200 . 5.400 3.238 2.714 3.943 . 0 0 "[ . 1]" 1
1087 1 100 GLN QG 1 101 ALA H 4.200 . 5.400 4.030 2.475 4.676 . 0 0 "[ . 1]" 1
1088 1 101 ALA H 1 101 ALA MB 3.000 . 3.800 2.541 2.435 2.705 . 0 0 "[ . 1]" 1
1089 1 101 ALA HA 1 102 LEU H 4.200 . 5.400 2.527 2.416 2.635 . 0 0 "[ . 1]" 1
1090 1 101 ALA HA 1 124 GLU HA 4.200 . 5.400 4.521 4.364 5.156 . 0 0 "[ . 1]" 1
1091 1 101 ALA HA 1 125 LEU H 4.200 . 5.400 4.326 3.243 5.156 . 0 0 "[ . 1]" 1
1092 1 101 ALA MB 1 103 ARG QB 4.200 . 5.400 4.621 3.856 5.542 0.142 5 0 "[ . 1]" 1
1093 1 101 ALA MB 1 103 ARG HD2 4.200 . 5.400 4.938 3.932 5.511 0.111 9 0 "[ . 1]" 1
1094 1 101 ALA MB 1 103 ARG HD3 4.200 . 5.400 4.934 3.839 5.381 . 0 0 "[ . 1]" 1
1095 1 101 ALA MB 1 122 GLY HA2 4.200 . 5.400 4.410 4.004 4.904 . 0 0 "[ . 1]" 1
1096 1 101 ALA MB 1 122 GLY HA3 4.200 . 5.400 4.526 4.159 5.007 . 0 0 "[ . 1]" 1
1097 1 101 ALA MB 1 124 GLU HA 4.200 . 5.400 2.214 2.049 2.512 . 0 0 "[ . 1]" 1
1098 1 101 ALA MB 1 124 GLU QB 4.200 . 5.400 3.966 3.762 4.096 . 0 0 "[ . 1]" 1
1099 1 102 LEU H 1 102 LEU QB 3.600 . 4.600 2.440 2.378 2.550 . 0 0 "[ . 1]" 1
1100 1 102 LEU H 1 102 LEU MD2 4.200 . 5.400 4.480 4.371 4.587 . 0 0 "[ . 1]" 1
1101 1 102 LEU HA 1 103 ARG H 3.600 . 4.600 2.350 2.239 2.436 . 0 0 "[ . 1]" 1
1102 1 102 LEU QB 1 103 ARG H 3.600 . 4.600 3.324 3.178 3.444 . 0 0 "[ . 1]" 1
1103 1 102 LEU QB 1 104 VAL H 4.200 . 5.400 5.576 5.280 5.760 0.360 2 0 "[ . 1]" 1
1104 1 102 LEU MD1 1 103 ARG H 3.600 . 4.600 3.291 2.566 3.550 . 0 0 "[ . 1]" 1
1105 1 102 LEU MD2 1 103 ARG H 4.200 . 5.400 3.585 3.282 4.240 . 0 0 "[ . 1]" 1
1106 1 102 LEU HG 1 103 ARG H 4.200 . 5.400 2.068 1.855 2.640 0.145 3 0 "[ . 1]" 1
1107 1 102 LEU HG 1 104 VAL H 4.200 . 5.400 5.512 5.228 5.674 0.274 1 0 "[ . 1]" 1
1108 1 103 ARG H 1 103 ARG QB 4.200 . 5.400 3.075 2.927 3.214 . 0 0 "[ . 1]" 1
1109 1 103 ARG HA 1 104 VAL H 2.500 . 2.900 2.198 2.017 2.349 . 0 0 "[ . 1]" 1
1110 1 103 ARG HA 1 121 ILE H 4.200 . 5.400 4.102 3.800 4.419 . 0 0 "[ . 1]" 1
1111 1 103 ARG HA 1 122 GLY HA2 4.200 . 5.400 3.803 3.525 4.177 . 0 0 "[ . 1]" 1
1112 1 103 ARG HA 1 122 GLY HA3 4.200 . 5.400 2.243 2.049 2.464 . 0 0 "[ . 1]" 1
1113 1 103 ARG HA 1 123 LEU H 4.200 . 5.400 3.171 2.871 3.467 . 0 0 "[ . 1]" 1
1114 1 103 ARG HD3 1 105 PHE QE 4.200 . 5.400 4.516 3.573 5.565 0.165 6 0 "[ . 1]" 1
1115 1 104 VAL H 1 104 VAL HB 4.200 . 5.400 3.817 3.684 3.899 . 0 0 "[ . 1]" 1
1116 1 104 VAL H 1 104 VAL QG 3.600 . 4.600 2.087 1.955 2.178 0.045 4 0 "[ . 1]" 1
1117 1 104 VAL H 1 120 ALA HA 4.200 . 5.400 4.496 4.150 4.818 . 0 0 "[ . 1]" 1
1118 1 104 VAL H 1 121 ILE H 4.200 . 5.400 2.721 2.370 3.085 . 0 0 "[ . 1]" 1
1119 1 104 VAL H 1 122 GLY HA2 4.200 . 5.400 5.047 4.587 5.443 0.043 5 0 "[ . 1]" 1
1120 1 104 VAL H 1 122 GLY HA3 4.200 . 5.400 3.720 3.355 4.004 . 0 0 "[ . 1]" 1
1121 1 104 VAL HA 1 105 PHE H 3.600 . 4.600 2.268 2.106 2.427 . 0 0 "[ . 1]" 1
1122 1 104 VAL HB 1 105 PHE H 3.600 . 4.600 2.678 2.232 3.011 . 0 0 "[ . 1]" 1
1123 1 104 VAL HB 1 106 THR HA 4.200 . 5.400 5.773 5.688 5.843 0.443 2 0 "[ . 1]" 1
1124 1 104 VAL QG 1 105 PHE H 4.200 . 5.400 3.300 3.082 3.455 . 0 0 "[ . 1]" 1
1125 1 104 VAL QG 1 119 VAL MG1 4.200 . 5.400 4.317 4.001 5.386 . 0 0 "[ . 1]" 1
1126 1 104 VAL QG 1 121 ILE MD 4.200 . 5.400 2.262 2.034 2.466 . 0 0 "[ . 1]" 1
1127 1 105 PHE H 1 105 PHE QB 3.600 . 4.600 2.439 2.302 2.602 . 0 0 "[ . 1]" 1
1128 1 105 PHE H 1 105 PHE HD1 4.200 . 5.400 4.965 4.369 5.181 . 0 0 "[ . 1]" 1
1129 1 105 PHE HA 1 106 THR H 3.000 . 3.800 2.138 2.104 2.176 . 0 0 "[ . 1]" 1
1130 1 105 PHE HA 1 120 ALA HA 4.200 . 5.400 2.479 2.258 2.627 . 0 0 "[ . 1]" 1
1131 1 105 PHE HA 1 120 ALA MB 4.200 . 5.400 3.327 2.520 3.657 . 0 0 "[ . 1]" 1
1132 1 105 PHE HA 1 121 ILE H 4.200 . 5.400 4.168 3.852 4.348 . 0 0 "[ . 1]" 1
1133 1 105 PHE QB 1 106 THR H 4.200 . 5.400 2.994 2.812 3.143 . 0 0 "[ . 1]" 1
1134 1 105 PHE HB2 1 120 ALA HA 4.200 . 5.400 5.294 5.092 5.398 . 0 0 "[ . 1]" 1
1135 1 105 PHE HB2 1 120 ALA MB 4.200 . 5.400 5.168 4.593 5.475 0.075 6 0 "[ . 1]" 1
1136 1 105 PHE HB3 1 120 ALA HA 4.200 . 5.400 4.795 4.528 5.045 . 0 0 "[ . 1]" 1
1137 1 105 PHE HB3 1 120 ALA MB 4.200 . 5.400 4.627 4.280 4.895 . 0 0 "[ . 1]" 1
1138 1 105 PHE QD 1 118 VAL MG1 4.200 . 5.400 2.370 1.979 3.154 0.021 5 0 "[ . 1]" 1
1139 1 105 PHE QD 1 120 ALA HA 4.200 . 5.400 3.466 2.510 3.971 . 0 0 "[ . 1]" 1
1140 1 105 PHE QD 1 120 ALA MB 4.200 . 5.400 2.737 2.188 2.994 . 0 0 "[ . 1]" 1
1141 1 105 PHE QE 1 118 VAL MG1 4.200 . 5.400 3.592 2.980 4.655 . 0 0 "[ . 1]" 1
1142 1 105 PHE QE 1 120 ALA HA 4.200 . 5.400 4.403 4.057 5.072 . 0 0 "[ . 1]" 1
1143 1 105 PHE QE 1 120 ALA MB 4.200 . 5.400 2.444 2.262 2.662 . 0 0 "[ . 1]" 1
1144 1 106 THR H 1 106 THR HB 4.200 . 5.400 3.844 3.611 3.950 . 0 0 "[ . 1]" 1
1145 1 106 THR H 1 106 THR MG 4.200 . 5.400 2.625 2.169 3.668 . 0 0 "[ . 1]" 1
1146 1 106 THR H 1 107 PRO HA 4.200 . 5.400 4.791 4.711 4.873 . 0 0 "[ . 1]" 1
1147 1 106 THR H 1 107 PRO QG 4.200 . 5.400 5.951 5.889 6.010 0.610 1 9 "[+******- *]" 1
1148 1 106 THR H 1 119 VAL H 4.200 . 5.400 2.812 2.522 3.701 . 0 0 "[ . 1]" 1
1149 1 106 THR H 1 119 VAL MG2 4.200 . 5.400 4.600 4.339 5.017 . 0 0 "[ . 1]" 1
1150 1 106 THR H 1 120 ALA HA 4.200 . 5.400 3.579 3.090 3.841 . 0 0 "[ . 1]" 1
1151 1 106 THR H 1 120 ALA MB 4.200 . 5.400 4.381 3.600 4.732 . 0 0 "[ . 1]" 1
1152 1 106 THR HA 1 107 PRO HD2 4.200 . 5.400 2.791 2.349 3.417 . 0 0 "[ . 1]" 1
1153 1 106 THR HA 1 107 PRO HD3 4.200 . 5.400 2.208 2.134 2.296 . 0 0 "[ . 1]" 1
1154 1 106 THR HA 1 107 PRO HG2 4.200 . 5.400 4.715 4.500 4.908 . 0 0 "[ . 1]" 1
1155 1 106 THR HA 1 107 PRO HG3 4.200 . 5.400 4.407 4.098 4.516 . 0 0 "[ . 1]" 1
1156 1 106 THR HB 1 119 VAL MG1 4.200 . 5.400 4.110 2.145 4.689 . 0 0 "[ . 1]" 1
1157 1 107 PRO HA 1 108 ILE H 4.200 . 5.400 2.325 2.283 2.376 . 0 0 "[ . 1]" 1
1158 1 107 PRO HA 1 118 VAL HA 4.200 . 5.400 2.364 2.214 2.693 . 0 0 "[ . 1]" 1
1159 1 107 PRO HA 1 118 VAL MG2 4.200 . 5.400 3.013 2.286 4.085 . 0 0 "[ . 1]" 1
1160 1 107 PRO HA 1 119 VAL H 4.200 . 5.400 3.394 2.915 3.623 . 0 0 "[ . 1]" 1
1161 1 107 PRO HB2 1 109 TYR H 4.200 . 5.400 5.285 5.134 5.417 0.017 2 0 "[ . 1]" 1
1162 1 107 PRO HB2 1 118 VAL HA 4.200 . 5.400 4.859 4.614 4.972 . 0 0 "[ . 1]" 1
1163 1 107 PRO HB2 1 118 VAL MG2 4.200 . 5.400 4.694 4.072 5.561 0.161 4 0 "[ . 1]" 1
1164 1 107 PRO HB3 1 118 VAL HA 4.200 . 5.400 4.562 4.331 4.749 . 0 0 "[ . 1]" 1
1165 1 107 PRO HG2 1 109 TYR QD 4.200 . 5.400 4.336 4.061 4.949 . 0 0 "[ . 1]" 1
1166 1 107 PRO HG3 1 109 TYR QD 4.200 . 5.400 5.561 5.469 5.748 0.348 2 0 "[ . 1]" 1
1167 1 108 ILE H 1 108 ILE HB 3.600 . 4.600 2.681 2.617 2.825 . 0 0 "[ . 1]" 1
1168 1 108 ILE H 1 108 ILE MD 4.200 . 5.400 3.906 3.822 4.055 . 0 0 "[ . 1]" 1
1169 1 108 ILE H 1 108 ILE QG 3.000 . 3.800 2.587 2.464 2.684 . 0 0 "[ . 1]" 1
1170 1 108 ILE H 1 108 ILE MG 3.600 . 4.600 3.905 3.875 3.967 . 0 0 "[ . 1]" 1
1171 1 108 ILE H 1 116 ILE HA 4.200 . 5.400 5.923 5.805 6.166 0.766 2 5 "[*+ .-** 1]" 1
1172 1 108 ILE H 1 117 GLY H 4.200 . 5.400 2.742 2.553 3.220 . 0 0 "[ . 1]" 1
1173 1 108 ILE H 1 119 VAL H 4.200 . 5.400 4.615 3.984 4.856 . 0 0 "[ . 1]" 1
1174 1 108 ILE HA 1 109 TYR H 3.000 . 3.800 2.209 2.150 2.267 . 0 0 "[ . 1]" 1
1175 1 108 ILE HB 1 109 TYR H 4.200 . 5.400 4.103 3.982 4.238 . 0 0 "[ . 1]" 1
1176 1 108 ILE HB 1 117 GLY H 4.200 . 5.400 3.176 2.916 3.400 . 0 0 "[ . 1]" 1
1177 1 108 ILE MD 1 117 GLY HA2 4.200 . 5.400 2.608 2.288 2.791 . 0 0 "[ . 1]" 1
1178 1 108 ILE MD 1 117 GLY HA3 4.200 . 5.400 3.998 3.768 4.251 . 0 0 "[ . 1]" 1
1179 1 108 ILE QG 1 109 TYR H 3.600 . 4.600 4.265 4.127 4.353 . 0 0 "[ . 1]" 1
1180 1 108 ILE MG 1 109 TYR H 4.200 . 5.400 2.601 2.410 2.823 . 0 0 "[ . 1]" 1
1181 1 108 ILE MG 1 117 GLY HA2 4.200 . 5.400 3.745 3.504 3.970 . 0 0 "[ . 1]" 1
1182 1 109 TYR H 1 109 TYR HB2 4.200 . 5.400 2.643 2.130 3.726 . 0 0 "[ . 1]" 1
1183 1 109 TYR H 1 109 TYR HB3 4.200 . 5.400 3.566 3.388 3.668 . 0 0 "[ . 1]" 1
1184 1 109 TYR H 1 109 TYR QE 4.200 . 5.400 4.100 3.448 4.621 . 0 0 "[ . 1]" 1
1185 1 109 TYR H 1 110 ASP H 4.200 . 5.400 4.577 4.543 4.615 . 0 0 "[ . 1]" 1
1186 1 109 TYR HA 1 110 ASP H 3.600 . 4.600 2.289 2.245 2.332 . 0 0 "[ . 1]" 1
1187 1 109 TYR HA 1 113 HIS HA 4.200 . 5.400 5.121 4.736 5.469 0.069 2 0 "[ . 1]" 1
1188 1 109 TYR HA 1 114 LYS H 4.200 . 5.400 4.403 3.930 4.714 . 0 0 "[ . 1]" 1
1189 1 109 TYR HA 1 115 GLN HA 4.200 . 5.400 2.386 2.267 2.598 . 0 0 "[ . 1]" 1
1190 1 109 TYR HA 1 116 ILE H 4.200 . 5.400 2.724 2.089 4.253 . 0 0 "[ . 1]" 1
1191 1 109 TYR HA 1 116 ILE MD 4.200 . 5.400 3.685 2.694 4.221 . 0 0 "[ . 1]" 1
1192 1 109 TYR HA 1 116 ILE MG 4.200 . 5.400 3.947 3.781 4.169 . 0 0 "[ . 1]" 1
1193 1 109 TYR HA 1 117 GLY H 4.200 . 5.400 4.502 4.102 4.696 . 0 0 "[ . 1]" 1
1194 1 109 TYR HB2 1 113 HIS HA 4.200 . 5.400 3.966 2.950 4.371 . 0 0 "[ . 1]" 1
1195 1 109 TYR HB2 1 115 GLN HA 4.200 . 5.400 4.870 3.898 5.330 . 0 0 "[ . 1]" 1
1196 1 109 TYR HB3 1 113 HIS HA 4.200 . 5.400 3.162 2.769 3.696 . 0 0 "[ . 1]" 1
1197 1 109 TYR HB3 1 115 GLN HA 4.200 . 5.400 3.891 2.536 4.453 . 0 0 "[ . 1]" 1
1198 1 109 TYR QD 1 113 HIS HA 4.200 . 5.400 2.564 2.380 2.682 . 0 0 "[ . 1]" 1
1199 1 109 TYR QD 1 115 GLN HA 4.200 . 5.400 3.306 2.611 4.346 . 0 0 "[ . 1]" 1
1200 1 109 TYR QE 1 113 HIS H 4.200 . 5.400 5.398 4.932 5.643 0.243 10 0 "[ . 1]" 1
1201 1 109 TYR QE 1 114 LYS H 4.200 . 5.400 5.378 5.123 5.469 0.069 9 0 "[ . 1]" 1
1202 1 110 ASP H 1 110 ASP HB2 3.600 . 4.600 2.661 2.392 3.667 . 0 0 "[ . 1]" 1
1203 1 110 ASP H 1 110 ASP HB3 4.200 . 5.400 2.661 2.518 2.796 . 0 0 "[ . 1]" 1
1204 1 110 ASP H 1 112 ASN H 4.200 . 5.400 3.731 3.449 4.194 . 0 0 "[ . 1]" 1
1205 1 110 ASP H 1 113 HIS H 4.200 . 5.400 4.836 4.553 4.983 . 0 0 "[ . 1]" 1
1206 1 110 ASP H 1 113 HIS HA 4.200 . 5.400 5.440 4.871 5.608 0.208 7 0 "[ . 1]" 1
1207 1 110 ASP H 1 114 LYS H 4.200 . 5.400 3.463 3.152 3.718 . 0 0 "[ . 1]" 1
1208 1 110 ASP H 1 115 GLN HA 4.200 . 5.400 3.851 3.626 4.125 . 0 0 "[ . 1]" 1
1209 1 110 ASP H 1 115 GLN QB 4.200 . 5.400 5.408 5.219 5.621 0.221 4 0 "[ . 1]" 1
1210 1 110 ASP H 1 115 GLN HE22 4.200 . 5.400 5.555 5.474 5.637 0.237 6 0 "[ . 1]" 1
1211 1 110 ASP H 1 116 ILE HB 4.200 . 5.400 5.000 4.670 5.203 . 0 0 "[ . 1]" 1
1212 1 110 ASP H 1 116 ILE MD 4.200 . 5.400 3.886 3.179 4.274 . 0 0 "[ . 1]" 1
1213 1 110 ASP H 1 116 ILE MG 4.200 . 5.400 2.958 2.705 3.121 . 0 0 "[ . 1]" 1
1214 1 110 ASP HA 1 111 GLU H 3.600 . 4.600 3.037 2.467 3.514 . 0 0 "[ . 1]" 1
1215 1 110 ASP HA 1 116 ILE MD 4.200 . 5.400 3.218 2.616 3.670 . 0 0 "[ . 1]" 1
1216 1 110 ASP HA 1 116 ILE MG 4.200 . 5.400 3.816 3.610 4.031 . 0 0 "[ . 1]" 1
1217 1 110 ASP HB2 1 111 GLU H 3.600 . 4.600 4.074 2.213 4.560 . 0 0 "[ . 1]" 1
1218 1 110 ASP HB2 1 116 ILE MD 4.200 . 5.400 4.178 4.026 4.718 . 0 0 "[ . 1]" 1
1219 1 110 ASP HB2 1 116 ILE MG 4.200 . 5.400 2.428 2.071 4.219 . 0 0 "[ . 1]" 1
1220 1 110 ASP HB3 1 111 GLU H 3.000 . 3.800 3.563 1.777 4.205 0.405 3 0 "[ . 1]" 1
1221 1 110 ASP HB3 1 112 ASN H 4.200 . 5.400 3.427 2.810 4.880 . 0 0 "[ . 1]" 1
1222 1 110 ASP HB3 1 116 ILE MD 4.200 . 5.400 5.121 3.845 5.411 0.011 7 0 "[ . 1]" 1
1223 1 110 ASP HB3 1 116 ILE MG 4.200 . 5.400 3.419 2.696 4.047 . 0 0 "[ . 1]" 1
1224 1 111 GLU H 1 111 GLU QB 3.000 . 3.800 3.070 2.183 3.391 . 0 0 "[ . 1]" 1
1225 1 111 GLU H 1 111 GLU QG 3.600 . 4.600 3.560 2.337 4.188 . 0 0 "[ . 1]" 1
1226 1 111 GLU H 1 112 ASN H 4.200 . 5.400 2.421 1.869 3.089 0.131 4 0 "[ . 1]" 1
1227 1 111 GLU H 1 116 ILE MD 4.200 . 5.400 5.072 4.562 5.558 0.158 4 0 "[ . 1]" 1
1228 1 111 GLU H 1 116 ILE MG 4.200 . 5.400 5.372 5.158 5.601 0.201 3 0 "[ . 1]" 1
1229 1 111 GLU HA 1 112 ASN H 4.200 . 5.400 3.056 2.850 3.412 . 0 0 "[ . 1]" 1
1230 1 111 GLU HA 1 113 HIS H 4.200 . 5.400 3.708 3.485 4.274 . 0 0 "[ . 1]" 1
1231 1 111 GLU QB 1 112 ASN H 4.200 . 5.400 3.734 3.324 4.018 . 0 0 "[ . 1]" 1
1232 1 111 GLU QG 1 112 ASN H 4.200 . 5.400 4.168 3.598 4.455 . 0 0 "[ . 1]" 1
1233 1 111 GLU QG 1 112 ASN HD21 4.200 . 5.400 4.382 1.957 5.388 0.043 2 0 "[ . 1]" 1
1234 1 111 GLU QG 1 112 ASN HD22 4.200 . 5.400 4.106 2.403 5.086 . 0 0 "[ . 1]" 1
1235 1 112 ASN H 1 112 ASN HB2 3.600 . 4.600 2.713 2.631 2.832 . 0 0 "[ . 1]" 1
1236 1 112 ASN H 1 112 ASN HB3 4.200 . 5.400 3.851 3.792 3.935 . 0 0 "[ . 1]" 1
1237 1 112 ASN H 1 112 ASN HD21 4.200 . 5.400 4.175 2.875 4.750 . 0 0 "[ . 1]" 1
1238 1 112 ASN H 1 112 ASN HD22 4.200 . 5.400 4.833 4.204 5.252 . 0 0 "[ . 1]" 1
1239 1 112 ASN H 1 113 HIS HA 4.200 . 5.400 4.267 3.905 5.058 . 0 0 "[ . 1]" 1
1240 1 112 ASN HA 1 112 ASN HD21 4.200 . 5.400 2.790 2.063 4.414 . 0 0 "[ . 1]" 1
1241 1 112 ASN HA 1 112 ASN HD22 4.200 . 5.400 3.835 3.481 4.641 . 0 0 "[ . 1]" 1
1242 1 112 ASN HA 1 113 HIS H 4.200 . 5.400 2.937 2.753 3.121 . 0 0 "[ . 1]" 1
1243 1 112 ASN HB2 1 112 ASN HD21 3.600 . 4.600 3.257 2.253 3.640 . 0 0 "[ . 1]" 1
1244 1 112 ASN HB2 1 112 ASN HD22 3.600 . 4.600 3.970 3.530 4.140 . 0 0 "[ . 1]" 1
1245 1 112 ASN HB2 1 113 HIS H 3.000 . 3.800 3.972 3.777 4.184 0.384 10 0 "[ . 1]" 1
1246 1 112 ASN HB2 1 114 LYS H 4.200 . 5.400 3.094 2.785 4.163 . 0 0 "[ . 1]" 1
1247 1 112 ASN HB3 1 112 ASN HD21 4.200 . 5.400 2.854 2.500 3.630 . 0 0 "[ . 1]" 1
1248 1 112 ASN HB3 1 112 ASN HD22 3.600 . 4.600 3.778 3.624 4.134 . 0 0 "[ . 1]" 1
1249 1 112 ASN HB3 1 114 LYS H 4.200 . 5.400 4.113 3.760 5.109 . 0 0 "[ . 1]" 1
1250 1 113 HIS H 1 113 HIS HA 2.500 . 2.900 2.337 2.318 2.358 . 0 0 "[ . 1]" 1
1251 1 113 HIS H 1 113 HIS HB2 4.200 . 5.400 3.627 3.204 3.805 . 0 0 "[ . 1]" 1
1252 1 113 HIS H 1 113 HIS HB3 3.600 . 4.600 4.020 3.827 4.135 . 0 0 "[ . 1]" 1
1253 1 113 HIS H 1 114 LYS H 3.000 . 3.800 2.646 2.419 2.792 . 0 0 "[ . 1]" 1
1254 1 113 HIS H 1 114 LYS QB 4.200 . 5.400 4.472 4.162 4.709 . 0 0 "[ . 1]" 1
1255 1 113 HIS HA 1 114 LYS H 3.000 . 3.800 3.127 2.693 3.325 . 0 0 "[ . 1]" 1
1256 1 114 LYS H 1 114 LYS HA 3.000 . 3.800 2.945 2.908 2.999 . 0 0 "[ . 1]" 1
1257 1 114 LYS H 1 114 LYS QB 3.000 . 3.800 2.244 2.120 2.520 . 0 0 "[ . 1]" 1
1258 1 114 LYS H 1 114 LYS HD3 2.500 . 2.900 2.971 2.895 3.124 0.224 2 0 "[ . 1]" 1
1259 1 114 LYS H 1 115 GLN H 4.200 . 5.400 4.436 4.258 4.571 . 0 0 "[ . 1]" 1
1260 1 114 LYS HA 1 115 GLN H 2.500 . 2.900 2.244 2.176 2.352 . 0 0 "[ . 1]" 1
1261 1 114 LYS QB 1 115 GLN H 3.000 . 3.800 3.435 3.303 3.570 . 0 0 "[ . 1]" 1
1262 1 115 GLN H 1 115 GLN QB 2.500 . 2.900 2.664 2.403 2.813 . 0 0 "[ . 1]" 1
1263 1 115 GLN H 1 115 GLN HE22 3.600 . 4.600 2.878 2.317 3.149 . 0 0 "[ . 1]" 1
1264 1 115 GLN H 1 116 ILE H 4.200 . 5.400 4.619 4.534 4.682 . 0 0 "[ . 1]" 1
1265 1 115 GLN HA 1 116 ILE H 3.600 . 4.600 2.342 2.189 3.100 . 0 0 "[ . 1]" 1
1266 1 115 GLN HA 1 116 ILE MD 4.200 . 5.400 4.661 3.930 4.994 . 0 0 "[ . 1]" 1
1267 1 115 GLN HA 1 116 ILE MG 4.200 . 5.400 4.032 3.858 4.416 . 0 0 "[ . 1]" 1
1268 1 115 GLN HA 1 117 GLY H 4.200 . 5.400 3.937 3.651 4.243 . 0 0 "[ . 1]" 1
1269 1 115 GLN QB 1 116 ILE H 4.200 . 5.400 3.221 1.790 3.524 0.210 3 0 "[ . 1]" 1
1270 1 115 GLN HE22 1 116 ILE H 4.200 . 5.400 5.336 4.804 5.469 0.069 7 0 "[ . 1]" 1
1271 1 116 ILE H 1 116 ILE HB 4.200 . 5.400 3.847 3.754 4.210 . 0 0 "[ . 1]" 1
1272 1 116 ILE H 1 116 ILE MD 3.000 . 3.800 2.929 2.110 3.939 0.139 3 0 "[ . 1]" 1
1273 1 116 ILE H 1 116 ILE MG 3.600 . 4.600 3.218 3.082 3.642 . 0 0 "[ . 1]" 1
1274 1 116 ILE H 1 117 GLY H 4.200 . 5.400 2.190 1.948 2.390 0.052 1 0 "[ . 1]" 1
1275 1 116 ILE HA 1 117 GLY H 3.600 . 4.600 3.255 3.060 3.366 . 0 0 "[ . 1]" 1
1276 1 116 ILE HB 1 117 GLY H 3.000 . 3.800 4.225 4.085 4.307 0.507 5 1 "[ + 1]" 1
1277 1 116 ILE MD 1 117 GLY H 2.500 . 2.900 2.927 2.581 3.083 0.183 8 0 "[ . 1]" 1
1278 1 117 GLY H 1 118 VAL H 4.200 . 5.400 4.528 4.458 4.607 . 0 0 "[ . 1]" 1
1279 1 117 GLY H 1 118 VAL MG2 4.200 . 6.400 4.091 3.717 4.554 . 0 0 "[ . 1]" 1
1280 1 117 GLY HA2 1 118 VAL H 3.600 . 4.600 2.676 2.561 2.820 . 0 0 "[ . 1]" 1
1281 1 117 GLY HA3 1 118 VAL H 3.000 . 3.800 2.573 2.486 2.683 . 0 0 "[ . 1]" 1
1282 1 118 VAL H 1 118 VAL HB 3.600 . 4.600 2.762 2.430 3.037 . 0 0 "[ . 1]" 1
1283 1 118 VAL H 1 118 VAL MG1 3.600 . 4.600 3.871 3.517 4.047 . 0 0 "[ . 1]" 1
1284 1 118 VAL H 1 118 VAL MG2 3.600 . 4.600 2.960 2.353 3.608 . 0 0 "[ . 1]" 1
1285 1 118 VAL H 1 119 VAL H 4.200 . 5.400 4.413 4.343 4.513 . 0 0 "[ . 1]" 1
1286 1 118 VAL HA 1 119 VAL H 3.600 . 4.600 2.174 2.096 2.266 . 0 0 "[ . 1]" 1
1287 1 118 VAL HB 1 119 VAL H 4.200 . 5.400 4.053 3.736 4.312 . 0 0 "[ . 1]" 1
1288 1 118 VAL MG1 1 120 ALA HA 4.200 . 5.400 4.073 3.764 4.571 . 0 0 "[ . 1]" 1
1289 1 118 VAL MG1 1 120 ALA MB 4.200 . 5.400 3.207 2.777 3.938 . 0 0 "[ . 1]" 1
1290 1 118 VAL MG2 1 120 ALA MB 4.200 . 5.400 5.293 4.897 5.503 0.103 6 0 "[ . 1]" 1
1291 1 119 VAL H 1 119 VAL HB 4.200 . 5.400 2.531 2.375 3.233 . 0 0 "[ . 1]" 1
1292 1 119 VAL H 1 119 VAL MG2 3.600 . 4.600 2.958 2.619 3.749 . 0 0 "[ . 1]" 1
1293 1 119 VAL H 1 120 ALA H 4.200 . 5.400 4.320 4.046 4.439 . 0 0 "[ . 1]" 1
1294 1 119 VAL HA 1 120 ALA H 3.000 . 3.800 2.241 2.178 2.286 . 0 0 "[ . 1]" 1
1295 1 119 VAL MG2 1 120 ALA H 3.000 . 3.800 3.860 3.018 4.010 0.210 1 0 "[ . 1]" 1
1296 1 120 ALA H 1 120 ALA MB 3.600 . 4.600 2.465 2.345 2.566 . 0 0 "[ . 1]" 1
1297 1 120 ALA HA 1 121 ILE H 3.600 . 4.600 2.371 2.217 2.516 . 0 0 "[ . 1]" 1
1298 1 120 ALA MB 1 121 ILE H 3.600 . 4.600 2.797 2.615 2.983 . 0 0 "[ . 1]" 1
1299 1 121 ILE H 1 121 ILE HB 3.600 . 4.600 2.926 2.767 3.077 . 0 0 "[ . 1]" 1
1300 1 121 ILE H 1 121 ILE MD 4.200 . 5.400 4.172 3.923 4.324 . 0 0 "[ . 1]" 1
1301 1 121 ILE H 1 121 ILE QG 4.200 . 5.400 2.749 2.522 2.950 . 0 0 "[ . 1]" 1
1302 1 121 ILE H 1 121 ILE MG 4.200 . 5.400 3.968 3.913 4.022 . 0 0 "[ . 1]" 1
1303 1 121 ILE H 1 122 GLY H 4.200 . 5.400 3.772 3.595 4.029 . 0 0 "[ . 1]" 1
1304 1 121 ILE H 1 123 LEU H 4.200 . 5.400 6.063 5.938 6.205 0.805 7 10 [****-*+***] 1
1305 1 121 ILE HA 1 122 GLY H 3.000 . 3.800 2.244 2.115 2.367 . 0 0 "[ . 1]" 1
1306 1 121 ILE HB 1 122 GLY H 4.200 . 5.400 4.316 4.229 4.414 . 0 0 "[ . 1]" 1
1307 1 121 ILE QG 1 122 GLY H 4.200 . 5.400 4.551 4.509 4.632 . 0 0 "[ . 1]" 1
1308 1 122 GLY H 1 123 LEU H 4.200 . 5.400 4.369 4.278 4.454 . 0 0 "[ . 1]" 1
1309 1 122 GLY HA2 1 123 LEU H 4.200 . 5.400 3.087 2.892 3.256 . 0 0 "[ . 1]" 1
1310 1 122 GLY HA3 1 123 LEU H 3.600 . 4.600 2.026 1.967 2.096 0.033 3 0 "[ . 1]" 1
1311 1 123 LEU H 1 123 LEU HB2 4.200 . 5.400 2.740 2.455 2.920 . 0 0 "[ . 1]" 1
1312 1 123 LEU H 1 123 LEU HB3 3.600 . 4.600 2.524 2.394 2.721 . 0 0 "[ . 1]" 1
1313 1 123 LEU H 1 123 LEU MD1 4.200 . 5.400 4.336 4.137 4.515 . 0 0 "[ . 1]" 1
1314 1 123 LEU H 1 123 LEU MD2 4.200 . 5.400 4.234 3.974 4.425 . 0 0 "[ . 1]" 1
1315 1 123 LEU H 1 123 LEU HG 4.200 . 5.400 4.514 4.420 4.720 . 0 0 "[ . 1]" 1
1316 1 123 LEU H 1 124 GLU H 4.200 . 5.400 4.372 4.202 4.513 . 0 0 "[ . 1]" 1
1317 1 123 LEU HA 1 124 GLU H 3.000 . 3.800 2.205 2.089 2.282 . 0 0 "[ . 1]" 1
1318 1 123 LEU HB2 1 124 GLU H 3.600 . 4.600 4.461 4.359 4.517 . 0 0 "[ . 1]" 1
1319 1 123 LEU HB3 1 124 GLU H 4.200 . 5.400 4.326 4.169 4.414 . 0 0 "[ . 1]" 1
1320 1 123 LEU MD1 1 124 GLU H 4.200 . 5.400 3.862 3.002 4.867 . 0 0 "[ . 1]" 1
1321 1 124 GLU H 1 124 GLU QB 3.000 . 3.800 2.227 2.138 2.277 . 0 0 "[ . 1]" 1
1322 1 124 GLU HA 1 125 LEU H 4.200 . 5.400 2.812 2.196 3.521 . 0 0 "[ . 1]" 1
1323 1 125 LEU H 1 125 LEU QB 4.200 . 5.400 2.903 2.254 3.221 . 0 0 "[ . 1]" 1
1324 1 125 LEU H 1 125 LEU MD1 4.200 . 5.400 4.223 3.509 4.700 . 0 0 "[ . 1]" 1
1325 1 125 LEU H 1 125 LEU HG 4.200 . 5.400 4.167 2.333 5.479 0.079 7 0 "[ . 1]" 1
1326 1 125 LEU HG 1 126 SER H 4.200 . 5.400 3.176 2.007 4.342 . 0 0 "[ . 1]" 1
1327 1 126 SER H 1 126 SER QB 4.200 . 5.400 2.899 2.238 3.285 . 0 0 "[ . 1]" 1
1328 1 126 SER H 1 127 ARG H 4.200 . 5.400 2.880 1.843 3.798 0.157 7 0 "[ . 1]" 1
1329 1 126 SER HA 1 127 ARG H 4.200 . 5.400 2.885 2.136 3.497 . 0 0 "[ . 1]" 1
1330 1 126 SER HA 1 129 THR MG 4.200 . 5.400 4.375 3.650 5.362 . 0 0 "[ . 1]" 1
1331 1 127 ARG H 1 127 ARG HB2 4.200 . 5.400 3.040 2.387 3.849 . 0 0 "[ . 1]" 1
1332 1 127 ARG H 1 127 ARG HB3 4.200 . 5.400 3.574 2.758 4.171 . 0 0 "[ . 1]" 1
1333 1 127 ARG H 1 127 ARG QG 4.200 . 5.400 3.320 2.008 4.366 . 0 0 "[ . 1]" 1
1334 1 127 ARG H 1 128 VAL H 3.000 . 3.800 3.435 2.315 4.048 0.248 7 0 "[ . 1]" 1
1335 1 127 ARG HA 1 128 VAL H 4.200 . 5.400 3.149 2.208 3.654 . 0 0 "[ . 1]" 1
1336 1 127 ARG HA 1 130 GLN QB 4.200 . 5.400 5.611 5.453 5.743 0.343 6 0 "[ . 1]" 1
1337 1 128 VAL H 1 128 VAL HB 3.600 . 4.600 3.155 2.634 4.014 . 0 0 "[ . 1]" 1
1338 1 128 VAL H 1 128 VAL MG1 3.600 . 4.600 3.713 3.128 4.136 . 0 0 "[ . 1]" 1
1339 1 128 VAL H 1 128 VAL MG2 4.200 . 5.400 2.170 1.861 3.185 0.139 9 0 "[ . 1]" 1
1340 1 128 VAL H 1 129 THR H 4.200 . 5.400 2.518 1.681 3.077 0.319 4 0 "[ . 1]" 1
1341 1 128 VAL HA 1 129 THR MG 4.200 . 5.400 4.626 4.123 5.001 . 0 0 "[ . 1]" 1
1342 1 128 VAL HA 1 131 GLN QB 4.200 . 5.400 3.568 2.561 4.436 . 0 0 "[ . 1]" 1
1343 1 128 VAL HB 1 129 THR H 3.000 . 3.800 3.900 3.584 4.042 0.242 10 0 "[ . 1]" 1
1344 1 128 VAL HB 1 129 THR MG 4.200 . 5.400 4.561 4.043 5.342 . 0 0 "[ . 1]" 1
1345 1 128 VAL MG1 1 129 THR H 3.600 . 4.600 4.250 4.045 4.393 . 0 0 "[ . 1]" 1
1346 1 128 VAL MG1 1 129 THR MG 4.200 . 5.400 4.965 4.413 5.430 0.030 4 0 "[ . 1]" 1
1347 1 128 VAL MG2 1 129 THR H 4.200 . 5.400 3.618 2.302 4.174 . 0 0 "[ . 1]" 1
1348 1 128 VAL MG2 1 129 THR MG 4.200 . 5.400 4.361 3.456 4.843 . 0 0 "[ . 1]" 1
1349 1 129 THR H 1 129 THR HA 3.000 . 3.800 2.899 2.708 2.989 . 0 0 "[ . 1]" 1
1350 1 129 THR H 1 129 THR HB 3.000 . 3.800 3.366 2.492 3.650 . 0 0 "[ . 1]" 1
1351 1 129 THR H 1 129 THR MG 4.200 . 5.400 2.248 1.864 2.760 0.136 1 0 "[ . 1]" 1
1352 1 129 THR H 1 130 GLN H 4.200 . 5.400 2.724 2.391 3.273 . 0 0 "[ . 1]" 1
1353 1 129 THR HA 1 132 ILE HB 4.200 . 5.400 3.622 2.327 4.381 . 0 0 "[ . 1]" 1
1354 1 129 THR MG 1 130 GLN H 4.200 . 5.400 3.349 1.905 4.180 0.095 4 0 "[ . 1]" 1
1355 1 129 THR MG 1 132 ILE HB 4.200 . 5.400 5.275 4.836 5.537 0.137 5 0 "[ . 1]" 1
1356 1 130 GLN H 1 130 GLN HA 3.000 . 3.800 2.843 2.728 2.896 . 0 0 "[ . 1]" 1
1357 1 130 GLN H 1 130 GLN QB 3.000 . 3.800 2.222 2.128 2.292 . 0 0 "[ . 1]" 1
1358 1 130 GLN H 1 130 GLN QG 4.200 . 5.400 4.011 3.954 4.089 . 0 0 "[ . 1]" 1
1359 1 130 GLN H 1 131 GLN H 4.200 . 5.400 2.771 2.485 3.321 . 0 0 "[ . 1]" 1
1360 1 131 GLN H 1 131 GLN QB 3.000 . 3.800 2.528 2.265 2.941 . 0 0 "[ . 1]" 1
1361 1 131 GLN H 1 131 GLN QG 3.600 . 4.600 2.345 1.827 3.975 0.173 1 0 "[ . 1]" 1
1362 1 131 GLN H 1 132 ILE H 2.500 . 2.900 3.085 2.826 3.198 0.298 5 0 "[ . 1]" 1
1363 1 131 GLN HA 1 132 ILE H 3.600 . 4.600 3.565 3.537 3.603 . 0 0 "[ . 1]" 1
1364 1 131 GLN HA 1 134 ASP QB 4.200 . 5.400 4.155 3.800 5.326 . 0 0 "[ . 1]" 1
1365 1 131 GLN QB 1 132 ILE H 3.600 . 4.600 2.437 1.943 3.029 0.057 4 0 "[ . 1]" 1
1366 1 131 GLN QG 1 132 ILE H 4.200 . 5.400 3.043 1.639 4.005 0.361 9 0 "[ . 1]" 1
1367 1 132 ILE H 1 132 ILE HB 3.000 . 3.800 2.376 2.270 2.510 . 0 0 "[ . 1]" 1
1368 1 132 ILE H 1 132 ILE MD 4.200 . 5.400 3.463 1.721 3.850 0.279 4 0 "[ . 1]" 1
1369 1 132 ILE H 1 132 ILE QG 3.600 . 4.600 3.252 2.098 4.121 . 0 0 "[ . 1]" 1
1370 1 132 ILE H 1 132 ILE MG 3.600 . 4.600 3.211 2.543 3.801 . 0 0 "[ . 1]" 1
1371 1 132 ILE H 1 133 ASN H 3.600 . 4.600 3.225 2.448 3.430 . 0 0 "[ . 1]" 1
1372 1 132 ILE HB 1 133 ASN H 4.200 . 5.400 2.926 1.956 3.497 0.044 8 0 "[ . 1]" 1
1373 1 132 ILE MD 1 133 ASN H 4.200 . 5.400 4.355 3.897 4.979 . 0 0 "[ . 1]" 1
1374 1 133 ASN H 1 133 ASN QB 3.600 . 4.600 2.419 2.290 2.640 . 0 0 "[ . 1]" 1
1375 1 133 ASN H 1 135 SER H 4.200 . 5.400 4.847 4.704 4.959 . 0 0 "[ . 1]" 1
1376 1 133 ASN HA 1 134 ASP H 4.200 . 5.400 3.587 3.568 3.614 . 0 0 "[ . 1]" 1
1377 1 133 ASN HA 1 136 ARG QB 4.200 . 5.400 3.538 3.194 4.213 . 0 0 "[ . 1]" 1
1378 1 133 ASN QB 1 134 ASP H 4.200 . 5.400 2.096 1.910 2.744 0.090 5 0 "[ . 1]" 1
1379 1 134 ASP H 1 134 ASP QB 3.000 . 3.800 2.525 2.308 2.756 . 0 0 "[ . 1]" 1
1380 1 134 ASP H 1 135 SER H 4.200 . 5.400 3.147 2.853 3.244 . 0 0 "[ . 1]" 1
1381 1 134 ASP HA 1 135 SER H 4.200 . 5.400 3.613 3.592 3.643 . 0 0 "[ . 1]" 1
1382 1 134 ASP QB 1 135 SER H 4.200 . 5.400 2.386 2.128 3.149 . 0 0 "[ . 1]" 1
1383 1 135 SER H 1 135 SER QB 4.200 . 5.400 2.367 2.178 2.681 . 0 0 "[ . 1]" 1
1384 1 135 SER H 1 136 ARG H 3.600 . 4.600 3.189 3.050 3.325 . 0 0 "[ . 1]" 1
1385 1 135 SER HA 1 136 ARG H 4.200 . 5.400 3.594 3.566 3.637 . 0 0 "[ . 1]" 1
1386 1 136 ARG H 1 136 ARG QB 4.200 . 5.400 2.292 2.190 2.490 . 0 0 "[ . 1]" 1
1387 1 136 ARG H 1 136 ARG QG 4.200 . 5.400 3.614 2.005 4.099 . 0 0 "[ . 1]" 1
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