NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
599179 |
2rvc   |
11595 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rvc
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 874
_Distance_constraint_stats_list.Viol_count 1115
_Distance_constraint_stats_list.Viol_total 403.611
_Distance_constraint_stats_list.Viol_max 0.190
_Distance_constraint_stats_list.Viol_rms 0.0168
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0362
_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 3 ALA 0.442 0.098 1 0 "[ . 1]"
1 4 GLU 0.496 0.098 1 0 "[ . 1]"
1 5 THR 0.091 0.040 4 0 "[ . 1]"
1 6 GLN 0.047 0.021 6 0 "[ . 1]"
1 7 MET 0.280 0.046 5 0 "[ . 1]"
1 8 GLU 0.320 0.055 4 0 "[ . 1]"
1 9 ARG 1.095 0.099 10 0 "[ . 1]"
1 10 LYS 0.411 0.055 4 0 "[ . 1]"
1 11 ILE 1.972 0.096 1 0 "[ . 1]"
1 12 ILE 4.126 0.142 6 0 "[ . 1]"
1 13 ASP 0.242 0.109 8 0 "[ . 1]"
1 14 PHE 0.928 0.099 2 0 "[ . 1]"
1 15 LEU 2.082 0.104 7 0 "[ . 1]"
1 16 ARG 2.245 0.123 7 0 "[ . 1]"
1 17 GLN 1.800 0.123 7 0 "[ . 1]"
1 18 ASN 1.216 0.085 1 0 "[ . 1]"
1 19 GLY 0.386 0.044 2 0 "[ . 1]"
1 20 LYS 1.624 0.142 6 0 "[ . 1]"
1 21 SER 0.700 0.071 1 0 "[ . 1]"
1 22 ILE 0.317 0.027 1 0 "[ . 1]"
1 23 ALA 0.232 0.063 5 0 "[ . 1]"
1 24 LEU 0.757 0.065 5 0 "[ . 1]"
1 25 THR 1.949 0.102 2 0 "[ . 1]"
1 26 ILE 1.898 0.091 5 0 "[ . 1]"
1 27 ALA 0.295 0.046 1 0 "[ . 1]"
1 28 LYS 1.651 0.188 5 0 "[ . 1]"
1 29 GLU 1.076 0.174 3 0 "[ . 1]"
1 30 ILE 1.888 0.102 2 0 "[ . 1]"
1 31 GLY 0.015 0.011 1 0 "[ . 1]"
1 32 LEU 0.714 0.077 7 0 "[ . 1]"
1 33 ASP 0.135 0.045 7 0 "[ . 1]"
1 34 LYS 0.080 0.029 8 0 "[ . 1]"
1 35 SER 0.818 0.129 2 0 "[ . 1]"
1 36 THR 1.687 0.129 2 0 "[ . 1]"
1 37 VAL 1.441 0.091 5 0 "[ . 1]"
1 38 ASN 0.366 0.054 9 0 "[ . 1]"
1 39 ARG 1.494 0.081 5 0 "[ . 1]"
1 40 HIS 1.596 0.081 5 0 "[ . 1]"
1 41 LEU 2.077 0.070 5 0 "[ . 1]"
1 42 TYR 3.344 0.154 1 0 "[ . 1]"
1 43 ASN 1.575 0.096 3 0 "[ . 1]"
1 44 LEU 2.235 0.123 10 0 "[ . 1]"
1 45 GLN 1.952 0.095 10 0 "[ . 1]"
1 46 ARG 1.296 0.086 7 0 "[ . 1]"
1 47 SER 0.488 0.086 7 0 "[ . 1]"
1 48 ASN 1.202 0.077 9 0 "[ . 1]"
1 49 GLN 1.224 0.110 8 0 "[ . 1]"
1 50 VAL 2.051 0.118 10 0 "[ . 1]"
1 51 PHE 2.746 0.180 9 0 "[ . 1]"
1 52 ASN 1.104 0.101 10 0 "[ . 1]"
1 53 SER 2.366 0.133 6 0 "[ . 1]"
1 54 ASN 0.803 0.109 6 0 "[ . 1]"
1 55 GLU 0.291 0.044 6 0 "[ . 1]"
1 56 LYS 0.113 0.056 8 0 "[ . 1]"
1 59 VAL 2.430 0.141 2 0 "[ . 1]"
1 60 TRP 0.677 0.083 10 0 "[ . 1]"
1 61 ASP 1.684 0.107 3 0 "[ . 1]"
1 62 LEU 1.827 0.141 2 0 "[ . 1]"
1 63 MET 1.012 0.190 6 0 "[ . 1]"
1 64 GLU 0.935 0.190 6 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 3 ALA HA 1 4 GLU QB 2.995 . 4.190 4.231 4.155 4.288 0.098 1 0 "[ . 1]" 1
2 1 3 ALA MB 1 4 GLU H 2.995 . 4.190 3.007 2.032 3.677 . 0 0 "[ . 1]" 1
3 1 4 GLU H 1 4 GLU HB2 2.945 . 4.090 2.721 2.103 3.622 . 0 0 "[ . 1]" 1
4 1 4 GLU H 1 4 GLU QB 2.645 . 3.490 2.384 2.086 2.896 . 0 0 "[ . 1]" 1
5 1 4 GLU H 1 4 GLU HB3 2.945 . 4.090 3.108 2.292 3.576 . 0 0 "[ . 1]" 1
6 1 4 GLU H 1 5 THR H 3.395 . 4.990 2.660 2.273 3.040 . 0 0 "[ . 1]" 1
7 1 4 GLU HA 1 6 GLN H 3.205 . 4.610 3.622 2.842 4.042 . 0 0 "[ . 1]" 1
8 1 4 GLU QB 1 5 THR H 2.665 . 3.530 2.795 1.915 3.570 0.040 4 0 "[ . 1]" 1
9 1 5 THR H 1 5 THR HB 2.975 . 4.150 2.883 2.530 3.556 . 0 0 "[ . 1]" 1
10 1 5 THR H 1 5 THR MG 2.835 . 3.870 2.777 1.938 3.655 . 0 0 "[ . 1]" 1
11 1 5 THR H 1 6 GLN H 3.105 . 4.410 2.680 2.475 2.963 . 0 0 "[ . 1]" 1
12 1 5 THR H 1 6 GLN QB 3.320 . 4.840 4.464 4.181 4.861 0.021 6 0 "[ . 1]" 1
13 1 5 THR HA 1 5 THR MG 2.875 . 3.950 2.554 2.182 3.243 . 0 0 "[ . 1]" 1
14 1 5 THR HA 1 6 GLN H 3.000 . 4.500 3.311 3.053 3.435 . 0 0 "[ . 1]" 1
15 1 5 THR HA 1 8 GLU H 3.000 . 4.500 3.406 3.109 3.963 . 0 0 "[ . 1]" 1
16 1 5 THR HB 1 6 GLN H 3.325 . 4.850 3.731 2.996 4.432 . 0 0 "[ . 1]" 1
17 1 5 THR MG 1 6 GLN H 3.280 . 4.760 3.802 2.659 4.300 . 0 0 "[ . 1]" 1
18 1 6 GLN H 1 6 GLN HG2 3.410 . 5.020 3.902 2.067 4.563 . 0 0 "[ . 1]" 1
19 1 6 GLN H 1 6 GLN QG 3.075 . 4.350 3.429 2.010 4.036 . 0 0 "[ . 1]" 1
20 1 6 GLN H 1 6 GLN HG3 3.410 . 5.020 3.966 2.090 4.579 . 0 0 "[ . 1]" 1
21 1 6 GLN H 1 7 MET H 3.270 . 4.740 2.518 2.306 2.682 . 0 0 "[ . 1]" 1
22 1 6 GLN H 1 9 ARG H 3.620 . 5.440 4.731 4.541 4.900 . 0 0 "[ . 1]" 1
23 1 6 GLN HA 1 7 MET H 3.000 . 4.500 3.467 3.352 3.527 . 0 0 "[ . 1]" 1
24 1 6 GLN HA 1 9 ARG H 3.000 . 4.500 3.446 2.922 3.713 . 0 0 "[ . 1]" 1
25 1 6 GLN QB 1 7 MET H 2.710 . 3.620 3.078 2.802 3.628 0.008 4 0 "[ . 1]" 1
26 1 7 MET H 1 7 MET HB2 2.835 . 3.870 2.629 2.416 3.725 . 0 0 "[ . 1]" 1
27 1 7 MET H 1 7 MET HB3 2.835 . 3.870 3.537 2.775 3.634 . 0 0 "[ . 1]" 1
28 1 7 MET H 1 7 MET HG2 2.920 . 4.040 2.465 2.203 3.541 . 0 0 "[ . 1]" 1
29 1 7 MET H 1 7 MET QG 2.620 . 3.440 2.321 2.187 2.481 . 0 0 "[ . 1]" 1
30 1 7 MET H 1 7 MET HG3 2.920 . 4.040 3.586 2.349 3.820 . 0 0 "[ . 1]" 1
31 1 7 MET H 1 8 GLU H 2.540 . 3.280 2.482 2.145 2.688 . 0 0 "[ . 1]" 1
32 1 7 MET HA 1 7 MET QG 2.770 . 3.740 2.979 2.477 3.398 . 0 0 "[ . 1]" 1
33 1 7 MET HA 1 8 GLU H 3.000 . 4.500 3.473 3.378 3.552 . 0 0 "[ . 1]" 1
34 1 7 MET HA 1 9 ARG H 3.030 . 4.260 4.287 4.263 4.306 0.046 5 0 "[ . 1]" 1
35 1 7 MET HA 1 10 LYS H 3.000 . 4.500 3.506 3.251 3.846 . 0 0 "[ . 1]" 1
36 1 7 MET QB 1 8 GLU HA 3.175 . 4.550 3.894 3.769 4.553 0.003 6 0 "[ . 1]" 1
37 1 7 MET HB2 1 8 GLU H 3.075 . 4.350 2.513 2.272 4.026 . 0 0 "[ . 1]" 1
38 1 7 MET HB3 1 8 GLU H 3.075 . 4.350 3.484 3.288 3.990 . 0 0 "[ . 1]" 1
39 1 8 GLU H 1 8 GLU HB2 2.840 . 3.880 2.475 2.360 2.640 . 0 0 "[ . 1]" 1
40 1 8 GLU H 1 8 GLU QB 2.405 . 3.010 2.429 2.326 2.575 . 0 0 "[ . 1]" 1
41 1 8 GLU H 1 8 GLU HB3 2.840 . 3.880 3.542 3.479 3.577 . 0 0 "[ . 1]" 1
42 1 8 GLU H 1 8 GLU HG2 3.220 . 4.640 3.366 1.941 3.839 . 0 0 "[ . 1]" 1
43 1 8 GLU H 1 8 GLU QG 2.920 . 4.040 2.906 1.932 3.268 . 0 0 "[ . 1]" 1
44 1 8 GLU H 1 8 GLU HG3 3.220 . 4.640 3.418 3.195 3.600 . 0 0 "[ . 1]" 1
45 1 8 GLU H 1 9 ARG H 2.540 . 3.280 2.623 2.472 2.785 . 0 0 "[ . 1]" 1
46 1 8 GLU H 1 10 LYS H 3.015 . 4.230 4.174 4.047 4.259 0.029 5 0 "[ . 1]" 1
47 1 8 GLU H 1 10 LYS QE 3.425 . 5.050 4.940 4.749 5.105 0.055 4 0 "[ . 1]" 1
48 1 8 GLU H 1 44 LEU MD1 3.565 . 5.330 4.683 3.988 5.148 . 0 0 "[ . 1]" 1
49 1 8 GLU H 1 44 LEU MD2 3.565 . 5.330 4.168 3.766 5.170 . 0 0 "[ . 1]" 1
50 1 8 GLU HA 1 8 GLU HG2 3.025 . 4.250 3.660 3.170 3.860 . 0 0 "[ . 1]" 1
51 1 8 GLU HA 1 8 GLU QG 2.745 . 3.690 2.672 2.465 3.076 . 0 0 "[ . 1]" 1
52 1 8 GLU HA 1 8 GLU HG3 3.025 . 4.250 2.864 2.504 3.876 . 0 0 "[ . 1]" 1
53 1 8 GLU HA 1 9 ARG H 3.000 . 4.500 3.484 3.442 3.524 . 0 0 "[ . 1]" 1
54 1 8 GLU HA 1 10 LYS H 3.105 . 4.410 4.388 4.215 4.448 0.038 8 0 "[ . 1]" 1
55 1 8 GLU HA 1 11 ILE H 3.000 . 4.500 3.613 3.307 3.856 . 0 0 "[ . 1]" 1
56 1 8 GLU HA 1 11 ILE MD 3.015 . 4.230 2.211 2.066 2.364 . 0 0 "[ . 1]" 1
57 1 8 GLU QB 1 9 ARG H 2.440 . 3.080 2.476 2.319 2.654 . 0 0 "[ . 1]" 1
58 1 8 GLU QB 1 10 LYS H 3.545 . 5.290 4.626 4.460 4.752 . 0 0 "[ . 1]" 1
59 1 8 GLU QG 1 44 LEU H 3.570 . 5.340 4.184 3.416 4.801 . 0 0 "[ . 1]" 1
60 1 9 ARG H 1 9 ARG QD 3.295 . 4.790 4.355 3.540 4.707 . 0 0 "[ . 1]" 1
61 1 9 ARG H 1 10 LYS H 2.560 . 3.320 2.645 2.522 2.844 . 0 0 "[ . 1]" 1
62 1 9 ARG H 1 11 ILE H 3.355 . 4.910 4.197 4.054 4.292 . 0 0 "[ . 1]" 1
63 1 9 ARG H 1 12 ILE HG12 3.650 . 5.500 5.254 4.963 5.520 0.020 1 0 "[ . 1]" 1
64 1 9 ARG HA 1 9 ARG QD 3.060 . 4.320 2.520 1.939 3.228 . 0 0 "[ . 1]" 1
65 1 9 ARG HA 1 10 LYS H 3.000 . 4.500 3.497 3.436 3.576 . 0 0 "[ . 1]" 1
66 1 9 ARG HA 1 11 ILE H 3.100 . 4.400 4.256 4.187 4.342 . 0 0 "[ . 1]" 1
67 1 9 ARG HA 1 12 ILE H 2.655 . 3.510 3.552 3.518 3.609 0.099 10 0 "[ . 1]" 1
68 1 9 ARG HA 1 12 ILE HB 3.465 . 5.130 5.157 5.072 5.210 0.080 2 0 "[ . 1]" 1
69 1 9 ARG HA 1 12 ILE MD 3.100 . 4.400 3.990 3.784 4.232 . 0 0 "[ . 1]" 1
70 1 9 ARG HA 1 13 ASP H 3.235 . 4.670 3.840 3.538 4.131 . 0 0 "[ . 1]" 1
71 1 9 ARG QD 1 10 LYS H 3.650 . 5.500 4.369 3.402 4.972 . 0 0 "[ . 1]" 1
72 1 9 ARG QD 1 12 ILE HG12 3.115 . 4.430 3.670 2.858 4.483 0.053 3 0 "[ . 1]" 1
73 1 9 ARG QD 1 13 ASP H 3.480 . 5.160 3.949 3.318 4.973 . 0 0 "[ . 1]" 1
74 1 10 LYS H 1 10 LYS QB 2.375 . 2.950 2.528 2.390 2.806 . 0 0 "[ . 1]" 1
75 1 10 LYS H 1 10 LYS QE 3.095 . 4.390 3.747 3.205 4.415 0.025 6 0 "[ . 1]" 1
76 1 10 LYS H 1 10 LYS QG 2.370 . 2.940 2.325 1.930 2.551 . 0 0 "[ . 1]" 1
77 1 10 LYS H 1 11 ILE H 2.540 . 3.280 2.684 2.571 2.811 . 0 0 "[ . 1]" 1
78 1 10 LYS H 1 11 ILE MD 3.465 . 5.130 5.036 4.902 5.145 0.015 6 0 "[ . 1]" 1
79 1 10 LYS H 1 11 ILE MG 3.155 . 4.510 4.116 4.008 4.262 . 0 0 "[ . 1]" 1
80 1 10 LYS H 1 12 ILE H 3.200 . 4.600 4.230 4.085 4.415 . 0 0 "[ . 1]" 1
81 1 10 LYS H 1 13 ASP H 3.390 . 4.980 4.566 4.446 4.630 . 0 0 "[ . 1]" 1
82 1 10 LYS HA 1 10 LYS HG2 2.885 . 3.970 3.008 2.494 3.758 . 0 0 "[ . 1]" 1
83 1 10 LYS HA 1 10 LYS QG 2.630 . 3.460 2.764 2.354 3.344 . 0 0 "[ . 1]" 1
84 1 10 LYS HA 1 10 LYS HG3 2.885 . 3.970 3.259 2.860 3.807 . 0 0 "[ . 1]" 1
85 1 10 LYS HA 1 11 ILE H 3.000 . 4.500 3.559 3.479 3.603 . 0 0 "[ . 1]" 1
86 1 10 LYS HA 1 12 ILE H 3.285 . 4.770 4.541 4.415 4.687 . 0 0 "[ . 1]" 1
87 1 10 LYS HA 1 13 ASP H 2.700 . 3.600 3.409 3.185 3.634 0.034 4 0 "[ . 1]" 1
88 1 10 LYS HA 1 13 ASP QB 2.830 . 3.860 2.606 2.015 3.238 . 0 0 "[ . 1]" 1
89 1 10 LYS QB 1 11 ILE H 2.900 . 4.000 3.163 2.681 3.701 . 0 0 "[ . 1]" 1
90 1 10 LYS QB 1 13 ASP H 3.570 . 5.340 4.818 4.633 4.911 . 0 0 "[ . 1]" 1
91 1 10 LYS QE 1 11 ILE MG 3.555 . 5.310 3.878 2.987 4.199 . 0 0 "[ . 1]" 1
92 1 10 LYS QG 1 11 ILE H 3.305 . 4.810 3.588 2.275 4.391 . 0 0 "[ . 1]" 1
93 1 10 LYS HG2 1 11 ILE H 3.650 . 5.500 4.356 2.728 5.257 . 0 0 "[ . 1]" 1
94 1 10 LYS HG3 1 11 ILE H 3.650 . 5.500 3.842 2.329 4.706 . 0 0 "[ . 1]" 1
95 1 11 ILE H 1 11 ILE HB 2.885 . 3.970 3.590 3.562 3.632 . 0 0 "[ . 1]" 1
96 1 11 ILE H 1 11 ILE MD 2.550 . 3.300 3.378 3.360 3.396 0.096 1 0 "[ . 1]" 1
97 1 11 ILE H 1 11 ILE QG 2.560 . 3.320 1.870 1.825 1.913 . 0 0 "[ . 1]" 1
98 1 11 ILE H 1 11 ILE MG 2.890 . 3.980 2.239 2.209 2.283 . 0 0 "[ . 1]" 1
99 1 11 ILE H 1 12 ILE H 2.540 . 3.280 2.472 2.440 2.533 . 0 0 "[ . 1]" 1
100 1 11 ILE H 1 12 ILE HG12 3.645 . 5.490 5.500 5.451 5.523 0.033 6 0 "[ . 1]" 1
101 1 11 ILE H 1 12 ILE HG13 3.305 . 4.810 4.805 4.656 4.842 0.032 3 0 "[ . 1]" 1
102 1 11 ILE H 1 12 ILE MG 3.270 . 4.740 3.819 3.707 3.921 . 0 0 "[ . 1]" 1
103 1 11 ILE H 1 13 ASP H 3.010 . 4.220 3.721 3.597 3.861 . 0 0 "[ . 1]" 1
104 1 11 ILE HA 1 11 ILE MD 3.565 . 5.330 4.095 3.715 4.157 . 0 0 "[ . 1]" 1
105 1 11 ILE HA 1 12 ILE H 3.000 . 4.500 3.526 3.495 3.546 . 0 0 "[ . 1]" 1
106 1 11 ILE HA 1 13 ASP H 3.235 . 4.670 4.101 3.865 4.237 . 0 0 "[ . 1]" 1
107 1 11 ILE HA 1 14 PHE H 3.100 . 4.400 3.532 3.353 3.723 . 0 0 "[ . 1]" 1
108 1 11 ILE HB 1 11 ILE MD 2.625 . 3.450 2.518 2.261 2.575 . 0 0 "[ . 1]" 1
109 1 11 ILE HB 1 12 ILE H 2.740 . 3.680 3.722 3.703 3.743 0.063 10 0 "[ . 1]" 1
110 1 11 ILE HB 1 13 ASP H 3.650 . 5.500 5.407 5.265 5.524 0.024 4 0 "[ . 1]" 1
111 1 11 ILE MD 1 12 ILE H 2.920 . 4.040 3.638 2.235 3.828 . 0 0 "[ . 1]" 1
112 1 11 ILE MD 1 37 VAL HA 3.335 . 4.870 4.066 3.270 4.734 . 0 0 "[ . 1]" 1
113 1 11 ILE MD 1 40 HIS HB2 2.915 . 4.030 3.449 2.632 4.050 0.020 7 0 "[ . 1]" 1
114 1 11 ILE MD 1 40 HIS HB3 2.860 . 3.920 3.053 2.300 3.922 0.002 5 0 "[ . 1]" 1
115 1 11 ILE QG 1 12 ILE H 2.870 . 3.940 2.164 2.114 2.306 . 0 0 "[ . 1]" 1
116 1 11 ILE QG 1 12 ILE MG 2.725 . 3.650 2.290 2.124 2.926 . 0 0 "[ . 1]" 1
117 1 11 ILE QG 1 13 ASP H 3.060 . 4.320 4.221 4.106 4.370 0.050 5 0 "[ . 1]" 1
118 1 11 ILE MG 1 12 ILE H 2.830 . 3.860 3.897 3.889 3.918 0.058 5 0 "[ . 1]" 1
119 1 12 ILE H 1 12 ILE HB 2.715 . 3.630 3.651 3.634 3.666 0.036 5 0 "[ . 1]" 1
120 1 12 ILE H 1 12 ILE MD 2.985 . 4.170 4.182 4.086 4.212 0.042 3 0 "[ . 1]" 1
121 1 12 ILE H 1 12 ILE HG12 2.630 . 3.460 3.497 3.480 3.517 0.057 5 0 "[ . 1]" 1
122 1 12 ILE H 1 12 ILE HG13 2.515 . 3.230 2.825 2.670 2.883 . 0 0 "[ . 1]" 1
123 1 12 ILE H 1 12 ILE MG 2.550 . 3.300 2.047 1.954 2.139 . 0 0 "[ . 1]" 1
124 1 12 ILE H 1 13 ASP H 2.595 . 3.390 2.484 2.372 2.576 . 0 0 "[ . 1]" 1
125 1 12 ILE HA 1 12 ILE MD 2.760 . 3.720 3.526 3.451 3.594 . 0 0 "[ . 1]" 1
126 1 12 ILE HA 1 12 ILE MG 2.640 . 3.480 2.594 2.539 2.633 . 0 0 "[ . 1]" 1
127 1 12 ILE HA 1 13 ASP H 3.000 . 4.500 3.494 3.446 3.562 . 0 0 "[ . 1]" 1
128 1 12 ILE HA 1 15 LEU H 2.825 . 3.850 3.114 2.908 3.344 . 0 0 "[ . 1]" 1
129 1 12 ILE HA 1 16 ARG H 3.065 . 4.330 3.930 3.714 4.341 0.011 2 0 "[ . 1]" 1
130 1 12 ILE HB 1 12 ILE MD 2.920 . 4.040 2.197 2.169 2.230 . 0 0 "[ . 1]" 1
131 1 12 ILE HB 1 13 ASP H 3.155 . 4.510 4.250 4.147 4.378 . 0 0 "[ . 1]" 1
132 1 12 ILE MD 1 12 ILE MG 2.490 . 3.180 3.015 2.973 3.045 . 0 0 "[ . 1]" 1
133 1 12 ILE MD 1 13 ASP H 2.980 . 4.160 3.562 3.297 3.676 . 0 0 "[ . 1]" 1
134 1 12 ILE MD 1 16 ARG QB 3.080 . 4.360 2.241 2.112 2.465 . 0 0 "[ . 1]" 1
135 1 12 ILE MD 1 17 GLN H 3.650 . 5.500 5.296 5.165 5.509 0.009 2 0 "[ . 1]" 1
136 1 12 ILE MD 1 20 LYS H 3.570 . 5.340 5.459 5.430 5.482 0.142 6 0 "[ . 1]" 1
137 1 12 ILE MD 1 20 LYS QB 2.975 . 4.150 3.574 3.332 3.927 . 0 0 "[ . 1]" 1
138 1 12 ILE HG12 1 13 ASP H 3.035 . 4.270 3.941 3.739 4.102 . 0 0 "[ . 1]" 1
139 1 12 ILE HG13 1 13 ASP H 3.000 . 4.200 2.314 2.156 2.465 . 0 0 "[ . 1]" 1
140 1 12 ILE HG13 1 16 ARG QD 3.050 . 4.300 4.276 3.857 4.354 0.054 9 0 "[ . 1]" 1
141 1 12 ILE MG 1 13 ASP H 2.920 . 4.040 3.820 3.695 3.954 . 0 0 "[ . 1]" 1
142 1 12 ILE MG 1 13 ASP HA 3.630 . 5.460 5.325 5.248 5.416 . 0 0 "[ . 1]" 1
143 1 13 ASP H 1 13 ASP HB2 2.535 . 3.270 2.308 2.103 2.481 . 0 0 "[ . 1]" 1
144 1 13 ASP H 1 13 ASP QB 2.305 . 2.810 2.218 2.084 2.351 . 0 0 "[ . 1]" 1
145 1 13 ASP H 1 13 ASP HB3 2.535 . 3.270 2.970 2.692 3.379 0.109 8 0 "[ . 1]" 1
146 1 13 ASP H 1 14 PHE H 2.730 . 3.660 2.561 2.434 2.732 . 0 0 "[ . 1]" 1
147 1 13 ASP H 1 14 PHE HB3 3.230 . 4.660 4.432 4.296 4.559 . 0 0 "[ . 1]" 1
148 1 13 ASP H 1 15 LEU H 3.375 . 4.950 4.177 4.013 4.413 . 0 0 "[ . 1]" 1
149 1 13 ASP H 1 16 ARG H 3.380 . 4.960 4.429 4.311 4.595 . 0 0 "[ . 1]" 1
150 1 13 ASP HA 1 14 PHE H 3.000 . 4.500 3.489 3.455 3.524 . 0 0 "[ . 1]" 1
151 1 13 ASP HA 1 15 LEU H 3.535 . 5.270 4.507 4.369 4.643 . 0 0 "[ . 1]" 1
152 1 13 ASP HA 1 16 ARG H 2.760 . 3.720 3.154 2.885 3.392 . 0 0 "[ . 1]" 1
153 1 13 ASP HA 1 16 ARG QD 3.170 . 4.540 2.504 2.179 3.142 . 0 0 "[ . 1]" 1
154 1 13 ASP HA 1 17 GLN H 3.360 . 4.920 4.048 3.702 4.536 . 0 0 "[ . 1]" 1
155 1 13 ASP QB 1 14 PHE H 2.535 . 3.270 2.620 2.158 2.939 . 0 0 "[ . 1]" 1
156 1 13 ASP QB 1 16 ARG H 3.570 . 5.340 4.699 4.588 4.855 . 0 0 "[ . 1]" 1
157 1 13 ASP HB2 1 14 PHE H 2.810 . 3.820 3.506 2.677 3.799 . 0 0 "[ . 1]" 1
158 1 13 ASP HB3 1 14 PHE H 2.810 . 3.820 2.776 2.185 3.285 . 0 0 "[ . 1]" 1
159 1 14 PHE H 1 14 PHE HB2 2.445 . 3.090 2.640 2.562 2.770 . 0 0 "[ . 1]" 1
160 1 14 PHE H 1 14 PHE HB3 2.450 . 3.100 2.307 2.267 2.356 . 0 0 "[ . 1]" 1
161 1 14 PHE H 1 14 PHE QD 2.915 . 4.030 4.060 4.034 4.071 0.041 3 0 "[ . 1]" 1
162 1 14 PHE H 1 15 LEU H 2.575 . 3.350 2.849 2.700 2.951 . 0 0 "[ . 1]" 1
163 1 14 PHE H 1 16 ARG H 3.080 . 4.360 3.854 3.699 4.013 . 0 0 "[ . 1]" 1
164 1 14 PHE H 1 17 GLN H 3.650 . 5.500 4.776 4.665 4.937 . 0 0 "[ . 1]" 1
165 1 14 PHE HA 1 14 PHE QD 2.955 . 4.110 2.917 2.759 3.052 . 0 0 "[ . 1]" 1
166 1 14 PHE HA 1 15 LEU H 3.000 . 4.500 3.584 3.517 3.626 . 0 0 "[ . 1]" 1
167 1 14 PHE HA 1 16 ARG QB 3.445 . 5.090 4.802 4.535 5.189 0.099 2 0 "[ . 1]" 1
168 1 14 PHE HA 1 17 GLN H 3.000 . 4.500 3.672 3.351 4.017 . 0 0 "[ . 1]" 1
169 1 14 PHE HA 1 17 GLN QB 3.600 . 5.400 3.168 2.787 3.865 . 0 0 "[ . 1]" 1
170 1 14 PHE HB2 1 15 LEU H 2.930 . 4.060 3.863 3.766 4.043 . 0 0 "[ . 1]" 1
171 1 14 PHE HB3 1 15 LEU H 2.630 . 3.460 2.446 2.299 2.722 . 0 0 "[ . 1]" 1
172 1 14 PHE HB3 1 16 ARG H 3.405 . 5.010 4.662 4.445 4.808 . 0 0 "[ . 1]" 1
173 1 14 PHE QD 1 15 LEU H 2.715 . 3.630 2.731 2.639 2.817 . 0 0 "[ . 1]" 1
174 1 14 PHE QD 1 16 ARG H 3.385 . 4.970 4.980 4.933 5.008 0.038 2 0 "[ . 1]" 1
175 1 14 PHE QD 1 30 ILE H 3.650 . 5.500 4.970 4.700 5.274 . 0 0 "[ . 1]" 1
176 1 14 PHE QE 1 15 LEU H 3.325 . 4.850 4.852 4.715 4.882 0.032 8 0 "[ . 1]" 1
177 1 14 PHE QE 1 29 GLU H 3.650 . 5.500 5.399 5.088 5.516 0.016 3 0 "[ . 1]" 1
178 1 14 PHE QE 1 29 GLU HB3 3.200 . 4.600 2.689 2.150 3.222 . 0 0 "[ . 1]" 1
179 1 14 PHE QE 1 30 ILE H 3.385 . 4.970 4.405 4.106 4.976 0.006 7 0 "[ . 1]" 1
180 1 15 LEU H 1 15 LEU HB2 2.800 . 3.800 3.037 2.756 3.803 0.003 3 0 "[ . 1]" 1
181 1 15 LEU H 1 15 LEU HB3 2.510 . 3.220 2.092 1.858 2.757 . 0 0 "[ . 1]" 1
182 1 15 LEU H 1 15 LEU MD1 3.090 . 4.380 3.554 2.003 4.306 . 0 0 "[ . 1]" 1
183 1 15 LEU H 1 15 LEU MD2 3.090 . 4.380 3.890 2.013 4.315 . 0 0 "[ . 1]" 1
184 1 15 LEU H 1 15 LEU HG 2.950 . 4.100 3.970 2.549 4.182 0.082 2 0 "[ . 1]" 1
185 1 15 LEU H 1 16 ARG H 2.570 . 3.340 2.589 2.496 2.683 . 0 0 "[ . 1]" 1
186 1 15 LEU H 1 16 ARG HA 3.475 . 5.150 5.148 5.055 5.199 0.049 1 0 "[ . 1]" 1
187 1 15 LEU H 1 17 GLN H 3.395 . 4.990 4.191 3.983 4.544 . 0 0 "[ . 1]" 1
188 1 15 LEU HA 1 15 LEU MD1 3.045 . 4.290 3.457 2.620 3.827 . 0 0 "[ . 1]" 1
189 1 15 LEU HA 1 15 LEU MD2 3.045 . 4.290 3.190 2.664 4.008 . 0 0 "[ . 1]" 1
190 1 15 LEU HA 1 16 ARG H 3.000 . 4.500 3.375 3.210 3.437 . 0 0 "[ . 1]" 1
191 1 15 LEU HA 1 18 ASN H 2.845 . 3.890 3.009 2.530 3.189 . 0 0 "[ . 1]" 1
192 1 15 LEU HB2 1 15 LEU MD1 2.835 . 3.870 2.910 2.092 3.250 . 0 0 "[ . 1]" 1
193 1 15 LEU HB2 1 15 LEU MD2 2.835 . 3.870 2.493 2.335 2.871 . 0 0 "[ . 1]" 1
194 1 15 LEU HB2 1 16 ARG H 3.220 . 4.640 4.126 3.706 4.397 . 0 0 "[ . 1]" 1
195 1 15 LEU HB2 1 18 ASN H 3.425 . 5.050 4.975 4.328 5.135 0.085 1 0 "[ . 1]" 1
196 1 15 LEU HB3 1 15 LEU MD1 2.885 . 3.970 2.637 2.431 3.139 . 0 0 "[ . 1]" 1
197 1 15 LEU HB3 1 15 LEU MD2 2.885 . 3.970 2.886 1.973 3.240 . 0 0 "[ . 1]" 1
198 1 15 LEU HB3 1 16 ARG H 3.065 . 4.330 3.313 2.475 4.346 0.016 3 0 "[ . 1]" 1
199 1 15 LEU MD1 1 16 ARG H 2.885 . 3.970 3.057 2.543 4.048 0.078 6 0 "[ . 1]" 1
200 1 15 LEU MD1 1 17 GLN H 3.485 . 5.170 4.747 4.431 5.224 0.054 1 0 "[ . 1]" 1
201 1 15 LEU MD1 1 18 ASN H 3.650 . 5.500 4.727 4.189 5.229 . 0 0 "[ . 1]" 1
202 1 15 LEU MD2 1 16 ARG H 2.885 . 3.970 3.704 2.950 4.063 0.093 2 0 "[ . 1]" 1
203 1 15 LEU MD2 1 17 GLN H 3.485 . 5.170 5.144 4.855 5.274 0.104 7 0 "[ . 1]" 1
204 1 15 LEU MD2 1 18 ASN H 3.650 . 5.500 4.626 4.059 5.573 0.073 1 0 "[ . 1]" 1
205 1 16 ARG H 1 16 ARG QB 2.215 . 2.630 2.086 1.922 2.166 . 0 0 "[ . 1]" 1
206 1 16 ARG H 1 16 ARG QD 3.540 . 5.280 4.184 3.948 4.341 . 0 0 "[ . 1]" 1
207 1 16 ARG H 1 16 ARG HG2 3.200 . 4.600 3.876 2.835 4.356 . 0 0 "[ . 1]" 1
208 1 16 ARG H 1 16 ARG QG 2.795 . 3.790 3.576 2.772 3.837 0.047 3 0 "[ . 1]" 1
209 1 16 ARG H 1 16 ARG HG3 3.200 . 4.600 4.289 3.909 4.438 . 0 0 "[ . 1]" 1
210 1 16 ARG H 1 17 GLN H 2.555 . 3.310 2.490 2.025 2.670 . 0 0 "[ . 1]" 1
211 1 16 ARG H 1 17 GLN QG 3.380 . 4.960 4.510 4.098 5.073 0.113 2 0 "[ . 1]" 1
212 1 16 ARG H 1 18 ASN H 3.160 . 4.520 3.780 3.511 4.063 . 0 0 "[ . 1]" 1
213 1 16 ARG H 1 19 GLY H 3.390 . 4.980 4.369 4.224 4.520 . 0 0 "[ . 1]" 1
214 1 16 ARG HA 1 16 ARG QD 3.145 . 4.490 3.965 3.513 4.207 . 0 0 "[ . 1]" 1
215 1 16 ARG HA 1 17 GLN H 3.000 . 4.500 3.394 3.238 3.479 . 0 0 "[ . 1]" 1
216 1 16 ARG QB 1 16 ARG QD 2.860 . 3.920 2.053 1.911 2.109 . 0 0 "[ . 1]" 1
217 1 16 ARG QB 1 19 GLY H 3.460 . 5.120 4.813 4.503 4.981 . 0 0 "[ . 1]" 1
218 1 16 ARG QD 1 17 GLN H 3.245 . 4.690 4.435 3.861 4.769 0.079 4 0 "[ . 1]" 1
219 1 16 ARG HG2 1 17 GLN H 2.935 . 4.070 3.086 2.764 3.507 . 0 0 "[ . 1]" 1
220 1 16 ARG HG3 1 17 GLN H 2.935 . 4.070 3.961 3.355 4.193 0.123 7 0 "[ . 1]" 1
221 1 17 GLN H 1 17 GLN QB 2.215 . 2.630 2.414 1.984 2.630 . 0 0 "[ . 1]" 1
222 1 17 GLN H 1 17 GLN QG 2.635 . 3.470 2.606 2.110 3.526 0.056 7 0 "[ . 1]" 1
223 1 17 GLN H 1 18 ASN H 2.505 . 3.210 2.515 2.271 2.691 . 0 0 "[ . 1]" 1
224 1 17 GLN H 1 18 ASN HD21 3.505 . 5.210 5.232 5.219 5.250 0.040 8 0 "[ . 1]" 1
225 1 17 GLN H 1 18 ASN QD 3.185 . 4.570 4.357 3.814 4.650 0.080 7 0 "[ . 1]" 1
226 1 17 GLN H 1 18 ASN HD22 3.505 . 5.210 4.723 3.918 5.219 0.009 7 0 "[ . 1]" 1
227 1 17 GLN H 1 19 GLY H 2.895 . 3.990 3.851 3.591 3.996 0.006 5 0 "[ . 1]" 1
228 1 17 GLN HA 1 18 ASN H 3.000 . 4.500 3.491 3.384 3.589 . 0 0 "[ . 1]" 1
229 1 17 GLN HA 1 19 GLY H 3.075 . 4.350 4.350 4.226 4.379 0.029 9 0 "[ . 1]" 1
230 1 17 GLN QB 1 18 ASN H 2.460 . 3.120 2.909 2.637 3.132 0.012 2 0 "[ . 1]" 1
231 1 17 GLN QB 1 19 GLY H 3.635 . 5.470 4.718 4.480 4.918 . 0 0 "[ . 1]" 1
232 1 17 GLN QG 1 18 ASN H 3.215 . 4.630 4.132 2.942 4.583 . 0 0 "[ . 1]" 1
233 1 18 ASN H 1 18 ASN HB2 2.495 . 3.190 2.565 2.450 2.735 . 0 0 "[ . 1]" 1
234 1 18 ASN H 1 18 ASN HB3 2.790 . 3.780 3.656 3.603 3.783 0.003 1 0 "[ . 1]" 1
235 1 18 ASN H 1 18 ASN HD21 2.865 . 3.930 3.732 3.576 3.942 0.012 2 0 "[ . 1]" 1
236 1 18 ASN H 1 18 ASN QD 2.600 . 3.400 2.772 2.163 3.322 . 0 0 "[ . 1]" 1
237 1 18 ASN H 1 18 ASN HD22 2.865 . 3.930 2.897 2.176 3.577 . 0 0 "[ . 1]" 1
238 1 18 ASN H 1 19 GLY H 2.430 . 3.060 2.236 2.086 2.373 . 0 0 "[ . 1]" 1
239 1 18 ASN H 1 19 GLY HA2 3.425 . 5.050 4.583 4.393 4.765 . 0 0 "[ . 1]" 1
240 1 18 ASN H 1 19 GLY HA3 3.425 . 5.050 4.952 4.837 5.065 0.015 3 0 "[ . 1]" 1
241 1 18 ASN HB2 1 19 GLY H 2.665 . 3.530 2.612 2.363 2.912 . 0 0 "[ . 1]" 1
242 1 18 ASN HB3 1 19 GLY H 3.170 . 4.540 3.725 3.583 3.970 . 0 0 "[ . 1]" 1
243 1 18 ASN QD 1 19 GLY H 3.230 . 4.660 4.168 3.908 4.400 . 0 0 "[ . 1]" 1
244 1 18 ASN HD21 1 19 GLY H 3.650 . 5.500 5.493 5.356 5.535 0.035 9 0 "[ . 1]" 1
245 1 18 ASN HD22 1 19 GLY H 3.650 . 5.500 4.327 4.009 4.621 . 0 0 "[ . 1]" 1
246 1 19 GLY H 1 20 LYS QG 3.615 . 5.430 4.749 4.339 5.474 0.044 2 0 "[ . 1]" 1
247 1 19 GLY QA 1 20 LYS H 2.295 . 2.790 2.391 2.306 2.450 . 0 0 "[ . 1]" 1
248 1 20 LYS H 1 20 LYS QB 2.315 . 2.830 2.550 2.188 2.796 . 0 0 "[ . 1]" 1
249 1 20 LYS H 1 20 LYS QE 2.910 . 4.020 3.843 3.015 4.058 0.038 8 0 "[ . 1]" 1
250 1 20 LYS H 1 20 LYS QG 2.430 . 3.060 2.131 1.815 3.073 0.013 2 0 "[ . 1]" 1
251 1 20 LYS H 1 21 SER H 3.230 . 4.660 4.667 4.614 4.715 0.055 7 0 "[ . 1]" 1
252 1 20 LYS HA 1 21 SER H 2.275 . 2.750 2.389 2.303 2.464 . 0 0 "[ . 1]" 1
253 1 20 LYS QB 1 21 SER H 2.480 . 3.160 2.733 2.561 3.175 0.015 8 0 "[ . 1]" 1
254 1 20 LYS QG 1 21 SER H 3.160 . 4.520 4.337 3.523 4.591 0.071 1 0 "[ . 1]" 1
255 1 21 SER H 1 21 SER HB2 2.865 . 3.930 3.427 3.028 3.552 . 0 0 "[ . 1]" 1
256 1 21 SER H 1 21 SER QB 2.555 . 3.310 2.968 2.937 3.009 . 0 0 "[ . 1]" 1
257 1 21 SER H 1 21 SER HB3 2.865 . 3.930 3.353 3.159 3.985 0.055 4 0 "[ . 1]" 1
258 1 21 SER H 1 22 ILE H 3.100 . 4.400 4.218 4.151 4.294 . 0 0 "[ . 1]" 1
259 1 21 SER H 1 25 THR MG 3.345 . 4.890 4.873 4.832 4.899 0.009 1 0 "[ . 1]" 1
260 1 21 SER H 1 26 ILE H 3.650 . 5.500 5.506 5.430 5.540 0.040 3 0 "[ . 1]" 1
261 1 21 SER H 1 26 ILE MD 3.430 . 5.060 3.984 3.405 4.254 . 0 0 "[ . 1]" 1
262 1 21 SER HA 1 22 ILE H 2.310 . 2.820 2.813 2.746 2.837 0.017 4 0 "[ . 1]" 1
263 1 21 SER QB 1 22 ILE H 2.445 . 3.090 2.422 1.773 2.653 0.027 4 0 "[ . 1]" 1
264 1 21 SER QB 1 22 ILE MG 3.300 . 4.800 4.254 3.693 4.476 . 0 0 "[ . 1]" 1
265 1 21 SER QB 1 25 THR HB 2.915 . 4.030 2.204 2.021 2.430 . 0 0 "[ . 1]" 1
266 1 21 SER QB 1 25 THR MG 2.730 . 3.660 2.300 2.194 2.470 . 0 0 "[ . 1]" 1
267 1 21 SER QB 1 26 ILE H 3.135 . 4.470 4.036 3.801 4.303 . 0 0 "[ . 1]" 1
268 1 21 SER QB 1 26 ILE MD 3.570 . 5.340 4.885 4.523 5.028 . 0 0 "[ . 1]" 1
269 1 21 SER QB 1 26 ILE HG12 3.265 . 4.730 4.473 4.194 4.738 0.008 7 0 "[ . 1]" 1
270 1 21 SER HB2 1 22 ILE H 2.780 . 3.760 3.354 3.080 3.469 . 0 0 "[ . 1]" 1
271 1 21 SER HB2 1 25 THR MG 3.135 . 4.470 2.879 2.275 3.378 . 0 0 "[ . 1]" 1
272 1 21 SER HB3 1 22 ILE H 2.780 . 3.760 2.498 1.782 2.759 0.018 4 0 "[ . 1]" 1
273 1 21 SER HB3 1 25 THR MG 3.135 . 4.470 2.526 2.269 3.008 . 0 0 "[ . 1]" 1
274 1 22 ILE H 1 22 ILE QG 2.355 . 2.910 2.066 1.948 2.937 0.027 1 0 "[ . 1]" 1
275 1 22 ILE H 1 22 ILE MG 2.310 . 2.820 2.448 2.372 2.511 . 0 0 "[ . 1]" 1
276 1 22 ILE H 1 23 ALA H 3.295 . 4.790 4.527 4.473 4.588 . 0 0 "[ . 1]" 1
277 1 22 ILE H 1 24 LEU H 3.535 . 5.270 4.697 4.550 4.886 . 0 0 "[ . 1]" 1
278 1 22 ILE H 1 25 THR H 2.860 . 3.920 3.935 3.926 3.945 0.025 7 0 "[ . 1]" 1
279 1 22 ILE H 1 25 THR HB 3.030 . 4.260 3.459 3.313 3.616 . 0 0 "[ . 1]" 1
280 1 22 ILE H 1 26 ILE H 3.395 . 4.990 4.901 4.747 5.006 0.016 5 0 "[ . 1]" 1
281 1 22 ILE HA 1 24 LEU H 3.215 . 4.630 4.246 4.107 4.399 . 0 0 "[ . 1]" 1
282 1 22 ILE HB 1 25 THR H 3.410 . 5.020 4.311 3.980 4.592 . 0 0 "[ . 1]" 1
283 1 22 ILE QG 1 25 THR H 2.285 . 2.770 2.192 1.941 2.452 . 0 0 "[ . 1]" 1
284 1 22 ILE MG 1 23 ALA H 2.855 . 3.910 3.505 3.443 3.552 . 0 0 "[ . 1]" 1
285 1 22 ILE MG 1 60 TRP H 4.500 . 6.000 3.982 3.676 4.241 . 0 0 "[ . 1]" 1
286 1 23 ALA H 1 23 ALA MB 2.355 . 2.910 2.179 2.123 2.207 . 0 0 "[ . 1]" 1
287 1 23 ALA H 1 24 LEU H 2.685 . 3.570 2.765 2.672 2.816 . 0 0 "[ . 1]" 1
288 1 23 ALA H 1 24 LEU HB2 3.650 . 5.500 4.950 4.867 5.141 . 0 0 "[ . 1]" 1
289 1 23 ALA H 1 24 LEU HB3 3.650 . 5.500 5.057 4.724 5.126 . 0 0 "[ . 1]" 1
290 1 23 ALA H 1 25 THR H 3.295 . 4.790 4.380 4.281 4.549 . 0 0 "[ . 1]" 1
291 1 23 ALA H 1 26 ILE MD 3.280 . 4.760 4.223 3.919 4.766 0.006 5 0 "[ . 1]" 1
292 1 23 ALA H 1 26 ILE HG13 3.415 . 5.030 4.523 4.174 5.034 0.004 5 0 "[ . 1]" 1
293 1 23 ALA H 1 41 LEU MD1 4.500 . 6.000 5.496 4.875 5.840 . 0 0 "[ . 1]" 1
294 1 23 ALA H 1 60 TRP H 4.500 . 6.000 5.632 4.831 6.004 0.004 10 0 "[ . 1]" 1
295 1 23 ALA H 1 60 TRP HD1 4.500 . 6.000 3.938 3.048 4.274 . 0 0 "[ . 1]" 1
296 1 23 ALA HA 1 24 LEU H 3.000 . 4.500 3.443 3.308 3.505 . 0 0 "[ . 1]" 1
297 1 23 ALA HA 1 25 THR H 3.170 . 4.540 4.289 4.147 4.571 0.031 5 0 "[ . 1]" 1
298 1 23 ALA HA 1 26 ILE H 3.000 . 4.500 3.578 3.356 4.091 . 0 0 "[ . 1]" 1
299 1 23 ALA HA 1 26 ILE MD 2.815 . 3.830 2.386 2.105 2.774 . 0 0 "[ . 1]" 1
300 1 23 ALA MB 1 24 LEU H 2.310 . 2.820 2.818 2.709 2.883 0.063 5 0 "[ . 1]" 1
301 1 23 ALA MB 1 24 LEU HA 2.935 . 4.070 3.817 3.764 3.890 . 0 0 "[ . 1]" 1
302 1 23 ALA MB 1 38 ASN HD21 3.165 . 4.530 2.721 2.085 3.393 . 0 0 "[ . 1]" 1
303 1 23 ALA MB 1 38 ASN HD22 3.065 . 4.330 3.054 2.509 4.027 . 0 0 "[ . 1]" 1
304 1 23 ALA MB 1 41 LEU MD1 4.500 . 6.000 3.642 2.940 4.113 . 0 0 "[ . 1]" 1
305 1 24 LEU H 1 24 LEU HB2 2.440 . 3.080 2.529 2.456 2.877 . 0 0 "[ . 1]" 1
306 1 24 LEU H 1 24 LEU QB 2.195 . 2.590 2.228 2.205 2.244 . 0 0 "[ . 1]" 1
307 1 24 LEU H 1 24 LEU HB3 2.440 . 3.080 2.493 2.311 2.532 . 0 0 "[ . 1]" 1
308 1 24 LEU H 1 24 LEU QD 2.850 . 3.900 3.730 3.711 3.770 . 0 0 "[ . 1]" 1
309 1 24 LEU H 1 25 THR H 2.630 . 3.460 2.424 2.327 2.512 . 0 0 "[ . 1]" 1
310 1 24 LEU H 1 25 THR HG1 3.225 . 4.650 4.689 4.672 4.698 0.048 3 0 "[ . 1]" 1
311 1 24 LEU H 1 26 ILE H 3.090 . 4.380 4.092 3.984 4.223 . 0 0 "[ . 1]" 1
312 1 24 LEU H 1 26 ILE HG13 3.580 . 5.360 4.676 4.343 4.827 . 0 0 "[ . 1]" 1
313 1 24 LEU HA 1 24 LEU QD 2.665 . 3.530 2.287 2.086 3.000 . 0 0 "[ . 1]" 1
314 1 24 LEU HA 1 25 THR H 3.000 . 4.500 3.516 3.482 3.557 . 0 0 "[ . 1]" 1
315 1 24 LEU HA 1 27 ALA H 3.000 . 4.500 3.783 3.597 4.018 . 0 0 "[ . 1]" 1
316 1 24 LEU HA 1 27 ALA MB 2.800 . 3.800 3.009 2.673 3.460 . 0 0 "[ . 1]" 1
317 1 24 LEU QB 1 25 THR H 2.455 . 3.110 2.652 2.377 2.786 . 0 0 "[ . 1]" 1
318 1 24 LEU QD 1 25 THR H 2.645 . 3.490 3.448 3.299 3.555 0.065 5 0 "[ . 1]" 1
319 1 24 LEU QD 1 26 ILE H 3.405 . 5.010 4.919 4.790 5.052 0.042 5 0 "[ . 1]" 1
320 1 24 LEU QD 1 27 ALA H 3.270 . 4.740 4.466 4.349 4.751 0.011 1 0 "[ . 1]" 1
321 1 24 LEU QD 1 28 LYS H 2.960 . 4.120 3.956 3.708 4.148 0.028 1 0 "[ . 1]" 1
322 1 25 THR H 1 25 THR HB 2.425 . 3.050 2.511 2.463 2.600 . 0 0 "[ . 1]" 1
323 1 25 THR H 1 25 THR HG1 3.030 . 4.260 2.801 2.516 2.985 . 0 0 "[ . 1]" 1
324 1 25 THR H 1 25 THR MG 3.060 . 4.320 3.669 3.622 3.709 . 0 0 "[ . 1]" 1
325 1 25 THR H 1 26 ILE H 2.585 . 3.370 2.607 2.478 2.858 . 0 0 "[ . 1]" 1
326 1 25 THR H 1 26 ILE MD 3.550 . 5.300 5.136 5.003 5.304 0.004 5 0 "[ . 1]" 1
327 1 25 THR H 1 26 ILE HG13 3.065 . 4.330 3.922 3.692 4.134 . 0 0 "[ . 1]" 1
328 1 25 THR H 1 27 ALA H 3.130 . 4.460 4.133 3.985 4.458 . 0 0 "[ . 1]" 1
329 1 25 THR H 1 29 GLU QG 3.650 . 5.500 5.368 5.288 5.455 . 0 0 "[ . 1]" 1
330 1 25 THR HA 1 25 THR MG 2.615 . 3.430 2.284 2.217 2.336 . 0 0 "[ . 1]" 1
331 1 25 THR HA 1 26 ILE H 3.000 . 4.500 3.539 3.493 3.568 . 0 0 "[ . 1]" 1
332 1 25 THR HA 1 28 LYS H 2.565 . 3.330 3.344 3.317 3.367 0.037 5 0 "[ . 1]" 1
333 1 25 THR HA 1 28 LYS QB 2.905 . 4.010 3.042 2.591 4.034 0.024 8 0 "[ . 1]" 1
334 1 25 THR HB 1 26 ILE H 2.570 . 3.340 2.265 2.157 2.316 . 0 0 "[ . 1]" 1
335 1 25 THR HB 1 26 ILE HG12 3.365 . 4.930 4.022 3.890 4.189 . 0 0 "[ . 1]" 1
336 1 25 THR HG1 1 26 ILE H 3.330 . 4.860 4.218 4.054 4.344 . 0 0 "[ . 1]" 1
337 1 25 THR MG 1 26 ILE H 2.635 . 3.470 3.346 3.296 3.419 . 0 0 "[ . 1]" 1
338 1 25 THR MG 1 28 LYS H 3.010 . 4.220 4.238 4.217 4.265 0.045 4 0 "[ . 1]" 1
339 1 25 THR MG 1 29 GLU H 2.810 . 3.820 3.708 3.466 3.811 . 0 0 "[ . 1]" 1
340 1 25 THR MG 1 29 GLU QG 2.765 . 3.730 2.043 1.986 2.100 . 0 0 "[ . 1]" 1
341 1 25 THR MG 1 30 ILE H 3.650 . 5.500 5.590 5.568 5.602 0.102 2 0 "[ . 1]" 1
342 1 26 ILE H 1 26 ILE HB 2.405 . 3.010 2.851 2.752 2.933 . 0 0 "[ . 1]" 1
343 1 26 ILE H 1 26 ILE MD 2.690 . 3.580 3.576 3.558 3.584 0.004 3 0 "[ . 1]" 1
344 1 26 ILE H 1 26 ILE HG12 3.420 . 5.040 2.965 2.780 3.068 . 0 0 "[ . 1]" 1
345 1 26 ILE H 1 26 ILE HG13 2.505 . 3.210 1.880 1.849 1.920 . 0 0 "[ . 1]" 1
346 1 26 ILE H 1 26 ILE MG 2.800 . 3.800 3.764 3.750 3.792 . 0 0 "[ . 1]" 1
347 1 26 ILE H 1 27 ALA H 2.595 . 3.390 2.857 2.800 2.904 . 0 0 "[ . 1]" 1
348 1 26 ILE H 1 28 LYS H 3.155 . 4.510 4.290 4.166 4.395 . 0 0 "[ . 1]" 1
349 1 26 ILE H 1 29 GLU QG 2.880 . 3.960 3.988 3.957 4.015 0.055 2 0 "[ . 1]" 1
350 1 26 ILE HA 1 27 ALA H 3.000 . 4.500 3.510 3.496 3.519 . 0 0 "[ . 1]" 1
351 1 26 ILE HA 1 29 GLU H 2.970 . 4.140 3.482 3.312 3.706 . 0 0 "[ . 1]" 1
352 1 26 ILE HA 1 30 ILE H 3.355 . 4.910 3.997 3.844 4.148 . 0 0 "[ . 1]" 1
353 1 26 ILE HB 1 26 ILE MD 2.820 . 3.840 2.493 2.466 2.534 . 0 0 "[ . 1]" 1
354 1 26 ILE HB 1 27 ALA H 2.440 . 3.080 2.524 2.442 2.588 . 0 0 "[ . 1]" 1
355 1 26 ILE HB 1 27 ALA MB 2.920 . 4.040 3.834 3.735 3.930 . 0 0 "[ . 1]" 1
356 1 26 ILE HB 1 37 VAL H 3.650 . 5.500 5.564 5.539 5.591 0.091 5 0 "[ . 1]" 1
357 1 26 ILE HB 1 37 VAL MG1 3.040 . 4.280 1.870 1.784 1.915 0.016 5 0 "[ . 1]" 1
358 1 26 ILE HB 1 37 VAL MG2 3.040 . 4.280 2.412 2.258 2.550 . 0 0 "[ . 1]" 1
359 1 26 ILE MD 1 26 ILE MG 2.520 . 3.240 1.986 1.962 2.023 . 0 0 "[ . 1]" 1
360 1 26 ILE MD 1 27 ALA H 3.180 . 4.560 4.498 4.430 4.560 0.000 2 0 "[ . 1]" 1
361 1 26 ILE MD 1 37 VAL HA 3.580 . 5.360 4.393 4.152 4.535 . 0 0 "[ . 1]" 1
362 1 26 ILE MD 1 41 LEU MD2 2.935 . 4.070 2.657 2.152 3.046 . 0 0 "[ . 1]" 1
363 1 26 ILE MG 1 27 ALA H 2.680 . 3.560 3.515 3.466 3.565 0.005 5 0 "[ . 1]" 1
364 1 26 ILE MG 1 27 ALA MB 3.015 . 4.230 4.256 4.239 4.276 0.046 1 0 "[ . 1]" 1
365 1 26 ILE MG 1 28 LYS H 3.445 . 5.090 5.034 4.938 5.103 0.013 6 0 "[ . 1]" 1
366 1 26 ILE MG 1 29 GLU H 3.245 . 4.690 4.583 4.362 4.732 0.042 3 0 "[ . 1]" 1
367 1 26 ILE MG 1 29 GLU QG 2.965 . 4.130 4.123 3.797 4.190 0.060 4 0 "[ . 1]" 1
368 1 26 ILE MG 1 37 VAL H 3.620 . 5.440 5.164 4.996 5.440 . 0 0 "[ . 1]" 1
369 1 26 ILE MG 1 37 VAL HA 3.060 . 4.320 3.764 3.437 4.205 . 0 0 "[ . 1]" 1
370 1 26 ILE MG 1 37 VAL MG1 2.650 . 3.500 2.307 2.088 2.470 . 0 0 "[ . 1]" 1
371 1 26 ILE MG 1 37 VAL MG2 2.650 . 3.500 2.362 2.229 2.615 . 0 0 "[ . 1]" 1
372 1 27 ALA H 1 27 ALA MB 2.270 . 2.740 2.187 2.159 2.213 . 0 0 "[ . 1]" 1
373 1 27 ALA H 1 28 LYS H 2.555 . 3.310 2.811 2.745 2.877 . 0 0 "[ . 1]" 1
374 1 27 ALA H 1 29 GLU QG 3.375 . 4.950 4.758 4.657 4.843 . 0 0 "[ . 1]" 1
375 1 27 ALA HA 1 28 LYS H 3.000 . 4.500 3.591 3.541 3.640 . 0 0 "[ . 1]" 1
376 1 27 ALA HA 1 29 GLU H 3.200 . 4.600 4.446 4.189 4.613 0.013 3 0 "[ . 1]" 1
377 1 27 ALA HA 1 30 ILE H 2.920 . 4.040 3.842 3.661 4.016 . 0 0 "[ . 1]" 1
378 1 27 ALA HA 1 30 ILE MD 3.115 . 4.430 3.076 2.717 3.374 . 0 0 "[ . 1]" 1
379 1 27 ALA HA 1 31 GLY H 3.255 . 4.710 4.265 3.967 4.662 . 0 0 "[ . 1]" 1
380 1 27 ALA MB 1 28 LYS H 2.385 . 2.970 2.608 2.492 2.789 . 0 0 "[ . 1]" 1
381 1 27 ALA MB 1 28 LYS QB 3.120 . 4.440 3.866 3.613 4.340 . 0 0 "[ . 1]" 1
382 1 27 ALA MB 1 29 GLU H 3.365 . 4.930 4.459 4.343 4.551 . 0 0 "[ . 1]" 1
383 1 27 ALA MB 1 34 LYS HA 2.720 . 3.640 2.252 1.970 3.105 . 0 0 "[ . 1]" 1
384 1 27 ALA MB 1 37 VAL HB 3.195 . 4.590 3.407 2.999 3.596 . 0 0 "[ . 1]" 1
385 1 28 LYS H 1 28 LYS QB 2.255 . 2.710 2.227 1.864 2.720 0.010 8 0 "[ . 1]" 1
386 1 28 LYS H 1 28 LYS QG 2.545 . 3.290 2.880 2.185 3.478 0.188 5 0 "[ . 1]" 1
387 1 28 LYS H 1 29 GLU H 2.540 . 3.280 2.448 2.312 2.593 . 0 0 "[ . 1]" 1
388 1 28 LYS H 1 29 GLU HA 3.630 . 5.460 5.063 4.944 5.212 . 0 0 "[ . 1]" 1
389 1 28 LYS H 1 29 GLU QG 3.055 . 4.310 3.866 3.600 4.049 . 0 0 "[ . 1]" 1
390 1 28 LYS HA 1 29 GLU H 3.000 . 4.500 3.483 3.346 3.537 . 0 0 "[ . 1]" 1
391 1 28 LYS HA 1 30 ILE H 3.140 . 4.480 4.454 4.164 4.518 0.038 4 0 "[ . 1]" 1
392 1 28 LYS QB 1 29 GLU H 2.440 . 3.080 2.830 2.499 3.254 0.174 3 0 "[ . 1]" 1
393 1 28 LYS QG 1 29 GLU H 3.505 . 5.210 3.588 1.992 4.548 . 0 0 "[ . 1]" 1
394 1 29 GLU H 1 29 GLU HB2 2.440 . 3.080 2.674 2.437 2.872 . 0 0 "[ . 1]" 1
395 1 29 GLU H 1 29 GLU QG 2.410 . 3.020 2.205 2.055 2.373 . 0 0 "[ . 1]" 1
396 1 29 GLU H 1 30 ILE H 2.510 . 3.220 2.554 2.324 2.813 . 0 0 "[ . 1]" 1
397 1 29 GLU H 1 30 ILE HA 3.645 . 5.490 5.179 4.990 5.376 . 0 0 "[ . 1]" 1
398 1 29 GLU HA 1 30 ILE H 3.000 . 4.500 3.489 3.454 3.525 . 0 0 "[ . 1]" 1
399 1 29 GLU HA 1 31 GLY H 3.065 . 4.330 4.060 3.905 4.222 . 0 0 "[ . 1]" 1
400 1 29 GLU HB2 1 30 ILE H 2.675 . 3.550 2.598 2.251 2.776 . 0 0 "[ . 1]" 1
401 1 29 GLU HB2 1 31 GLY H 3.305 . 4.810 4.641 4.408 4.815 0.005 2 0 "[ . 1]" 1
402 1 29 GLU HB3 1 30 ILE H 2.905 . 4.010 3.755 3.255 3.954 . 0 0 "[ . 1]" 1
403 1 29 GLU QG 1 30 ILE H 3.030 . 4.260 3.839 3.733 3.939 . 0 0 "[ . 1]" 1
404 1 30 ILE H 1 30 ILE HB 2.770 . 3.740 3.743 3.723 3.762 0.022 2 0 "[ . 1]" 1
405 1 30 ILE H 1 30 ILE MD 2.835 . 3.870 3.740 3.692 3.784 . 0 0 "[ . 1]" 1
406 1 30 ILE H 1 30 ILE HG12 2.590 . 3.380 2.081 1.990 2.141 . 0 0 "[ . 1]" 1
407 1 30 ILE H 1 30 ILE QG 2.360 . 2.920 2.050 1.962 2.109 . 0 0 "[ . 1]" 1
408 1 30 ILE H 1 30 ILE HG13 2.590 . 3.380 3.097 2.974 3.169 . 0 0 "[ . 1]" 1
409 1 30 ILE H 1 30 ILE MG 2.425 . 3.050 2.628 2.474 2.769 . 0 0 "[ . 1]" 1
410 1 30 ILE H 1 31 GLY H 2.425 . 3.050 2.294 2.230 2.351 . 0 0 "[ . 1]" 1
411 1 30 ILE H 1 31 GLY QA 3.485 . 5.170 4.223 4.158 4.274 . 0 0 "[ . 1]" 1
412 1 30 ILE H 1 32 LEU H 3.130 . 4.460 3.708 3.632 3.772 . 0 0 "[ . 1]" 1
413 1 30 ILE H 1 32 LEU MD2 3.650 . 5.500 5.563 5.551 5.577 0.077 7 0 "[ . 1]" 1
414 1 30 ILE H 1 32 LEU HG 3.465 . 5.130 4.856 4.748 4.922 . 0 0 "[ . 1]" 1
415 1 30 ILE HA 1 30 ILE MG 2.675 . 3.550 2.324 2.254 2.362 . 0 0 "[ . 1]" 1
416 1 30 ILE HA 1 32 LEU H 3.275 . 4.750 4.641 4.330 4.726 . 0 0 "[ . 1]" 1
417 1 30 ILE HB 1 30 ILE MD 2.675 . 3.550 2.478 2.463 2.500 . 0 0 "[ . 1]" 1
418 1 30 ILE HB 1 31 GLY H 3.125 . 4.450 4.201 4.138 4.285 . 0 0 "[ . 1]" 1
419 1 30 ILE HB 1 32 LEU H 2.955 . 4.110 4.081 3.738 4.128 0.018 1 0 "[ . 1]" 1
420 1 30 ILE MD 1 30 ILE MG 2.460 . 3.120 1.927 1.906 1.943 . 0 0 "[ . 1]" 1
421 1 30 ILE MD 1 31 GLY H 3.295 . 4.790 4.623 4.469 4.764 . 0 0 "[ . 1]" 1
422 1 30 ILE MD 1 32 LEU H 2.925 . 4.050 3.641 3.491 3.866 . 0 0 "[ . 1]" 1
423 1 30 ILE MD 1 32 LEU MD1 2.770 . 3.740 2.010 1.975 2.122 . 0 0 "[ . 1]" 1
424 1 30 ILE MD 1 36 THR MG 2.940 . 4.080 3.637 2.597 4.106 0.026 8 0 "[ . 1]" 1
425 1 30 ILE MD 1 37 VAL H 3.650 . 5.500 4.228 3.745 4.546 . 0 0 "[ . 1]" 1
426 1 30 ILE MD 1 37 VAL HA 3.360 . 4.920 3.727 3.308 4.139 . 0 0 "[ . 1]" 1
427 1 30 ILE QG 1 31 GLY H 2.615 . 3.430 2.963 2.796 3.120 . 0 0 "[ . 1]" 1
428 1 30 ILE QG 1 32 LEU H 2.475 . 3.150 2.052 1.818 2.263 . 0 0 "[ . 1]" 1
429 1 30 ILE HG12 1 30 ILE MG 2.955 . 4.110 2.437 2.414 2.458 . 0 0 "[ . 1]" 1
430 1 30 ILE HG12 1 31 GLY H 2.870 . 3.940 3.425 3.226 3.620 . 0 0 "[ . 1]" 1
431 1 30 ILE HG12 1 32 LEU H 2.730 . 3.660 3.249 3.137 3.486 . 0 0 "[ . 1]" 1
432 1 30 ILE HG13 1 30 ILE MG 2.955 . 4.110 3.217 3.209 3.222 . 0 0 "[ . 1]" 1
433 1 30 ILE HG13 1 31 GLY H 2.870 . 3.940 3.244 3.066 3.407 . 0 0 "[ . 1]" 1
434 1 30 ILE HG13 1 32 LEU H 2.730 . 3.660 2.075 1.829 2.293 . 0 0 "[ . 1]" 1
435 1 30 ILE MG 1 31 GLY H 3.025 . 4.250 4.191 4.129 4.261 0.011 1 0 "[ . 1]" 1
436 1 31 GLY H 1 31 GLY HA2 2.370 . 2.940 2.294 2.280 2.313 . 0 0 "[ . 1]" 1
437 1 31 GLY H 1 31 GLY HA3 2.370 . 2.940 2.844 2.821 2.870 . 0 0 "[ . 1]" 1
438 1 31 GLY H 1 32 LEU MD2 3.310 . 4.820 4.519 4.439 4.606 . 0 0 "[ . 1]" 1
439 1 31 GLY H 1 32 LEU HG 3.375 . 4.950 4.453 4.306 4.588 . 0 0 "[ . 1]" 1
440 1 31 GLY QA 1 32 LEU H 2.455 . 3.110 2.803 2.762 2.905 . 0 0 "[ . 1]" 1
441 1 31 GLY QA 1 32 LEU HG 3.200 . 4.600 4.344 4.260 4.472 . 0 0 "[ . 1]" 1
442 1 32 LEU H 1 32 LEU QB 2.475 . 3.150 2.690 2.615 2.732 . 0 0 "[ . 1]" 1
443 1 32 LEU H 1 32 LEU MD2 2.795 . 3.790 3.160 2.779 3.257 . 0 0 "[ . 1]" 1
444 1 32 LEU H 1 32 LEU HG 2.605 . 3.410 2.918 2.439 3.006 . 0 0 "[ . 1]" 1
445 1 32 LEU H 1 33 ASP H 3.310 . 4.820 4.409 4.361 4.436 . 0 0 "[ . 1]" 1
446 1 32 LEU QB 1 33 ASP H 2.435 . 3.070 2.019 1.873 2.162 . 0 0 "[ . 1]" 1
447 1 32 LEU HB2 1 33 ASP H 2.740 . 3.680 3.023 2.575 3.209 . 0 0 "[ . 1]" 1
448 1 32 LEU HB3 1 33 ASP H 2.740 . 3.680 2.051 1.924 2.198 . 0 0 "[ . 1]" 1
449 1 32 LEU MD1 1 33 ASP H 3.145 . 4.490 3.959 3.806 4.090 . 0 0 "[ . 1]" 1
450 1 32 LEU MD1 1 36 THR MG 2.720 . 3.640 2.544 2.135 3.280 . 0 0 "[ . 1]" 1
451 1 32 LEU MD2 1 33 ASP H 2.900 . 4.000 3.769 3.655 3.958 . 0 0 "[ . 1]" 1
452 1 33 ASP H 1 33 ASP HB2 2.630 . 3.460 2.826 2.626 3.037 . 0 0 "[ . 1]" 1
453 1 33 ASP H 1 33 ASP QB 2.400 . 3.000 2.265 2.097 2.449 . 0 0 "[ . 1]" 1
454 1 33 ASP H 1 33 ASP HB3 2.630 . 3.460 2.413 2.137 2.691 . 0 0 "[ . 1]" 1
455 1 33 ASP H 1 36 THR HB 3.120 . 4.440 3.490 2.958 4.203 . 0 0 "[ . 1]" 1
456 1 33 ASP H 1 36 THR MG 2.930 . 4.060 3.374 2.497 4.063 0.003 5 0 "[ . 1]" 1
457 1 33 ASP HA 1 36 THR H 3.490 . 5.180 4.714 4.583 4.883 . 0 0 "[ . 1]" 1
458 1 33 ASP QB 1 35 SER H 3.345 . 4.890 3.219 2.705 3.675 . 0 0 "[ . 1]" 1
459 1 33 ASP QB 1 36 THR H 2.735 . 3.670 3.009 2.734 3.397 . 0 0 "[ . 1]" 1
460 1 33 ASP HB2 1 36 THR H 3.130 . 4.460 4.465 4.412 4.505 0.045 7 0 "[ . 1]" 1
461 1 33 ASP HB3 1 36 THR H 3.130 . 4.460 3.070 2.759 3.519 . 0 0 "[ . 1]" 1
462 1 34 LYS H 1 35 SER H 2.540 . 3.280 2.598 2.108 2.857 . 0 0 "[ . 1]" 1
463 1 34 LYS HA 1 35 SER H 3.000 . 4.500 3.494 3.420 3.580 . 0 0 "[ . 1]" 1
464 1 34 LYS HA 1 37 VAL H 2.575 . 3.350 3.240 2.934 3.379 0.029 8 0 "[ . 1]" 1
465 1 34 LYS HA 1 37 VAL HB 2.815 . 3.830 2.654 2.295 2.982 . 0 0 "[ . 1]" 1
466 1 34 LYS QB 1 35 SER H 2.995 . 4.190 3.544 2.936 3.838 . 0 0 "[ . 1]" 1
467 1 34 LYS QG 1 35 SER H 3.210 . 4.620 2.916 2.175 4.634 0.014 2 0 "[ . 1]" 1
468 1 35 SER H 1 35 SER QB 2.875 . 3.950 2.398 2.230 2.639 . 0 0 "[ . 1]" 1
469 1 35 SER H 1 36 THR H 2.815 . 3.830 2.237 2.036 2.750 . 0 0 "[ . 1]" 1
470 1 35 SER H 1 36 THR MG 3.350 . 4.900 4.914 4.274 5.029 0.129 2 0 "[ . 1]" 1
471 1 35 SER HA 1 36 THR H 2.680 . 3.560 3.486 3.432 3.569 0.009 7 0 "[ . 1]" 1
472 1 35 SER HA 1 38 ASN H 3.000 . 4.500 3.328 2.975 3.885 . 0 0 "[ . 1]" 1
473 1 35 SER QB 1 36 THR H 2.455 . 3.110 2.688 2.394 3.139 0.029 10 0 "[ . 1]" 1
474 1 36 THR H 1 36 THR HB 2.540 . 3.280 2.405 1.964 3.280 . 0 0 "[ . 1]" 1
475 1 36 THR H 1 36 THR MG 2.545 . 3.290 3.227 2.301 3.414 0.124 3 0 "[ . 1]" 1
476 1 36 THR H 1 37 VAL H 2.540 . 3.280 2.780 2.617 2.999 . 0 0 "[ . 1]" 1
477 1 36 THR HA 1 36 THR MG 2.695 . 3.590 2.404 2.075 3.243 . 0 0 "[ . 1]" 1
478 1 36 THR HA 1 37 VAL H 3.000 . 4.500 3.630 3.540 3.687 . 0 0 "[ . 1]" 1
479 1 36 THR HA 1 39 ARG H 2.845 . 3.890 3.642 3.530 3.770 . 0 0 "[ . 1]" 1
480 1 36 THR HA 1 39 ARG QB 2.865 . 3.930 3.369 2.575 3.946 0.016 10 0 "[ . 1]" 1
481 1 36 THR HA 1 39 ARG HG3 3.650 . 5.500 4.397 3.504 5.509 0.009 2 0 "[ . 1]" 1
482 1 36 THR HA 1 40 HIS H 3.365 . 4.930 4.338 3.933 4.738 . 0 0 "[ . 1]" 1
483 1 36 THR MG 1 37 VAL H 3.195 . 4.590 3.171 2.352 4.121 . 0 0 "[ . 1]" 1
484 1 36 THR MG 1 40 HIS HD2 2.745 . 3.690 2.884 2.239 3.701 0.011 2 0 "[ . 1]" 1
485 1 37 VAL H 1 37 VAL HB 2.350 . 2.900 2.390 2.279 2.510 . 0 0 "[ . 1]" 1
486 1 37 VAL H 1 38 ASN H 2.505 . 3.210 2.791 2.686 2.891 . 0 0 "[ . 1]" 1
487 1 37 VAL H 1 39 ARG H 3.060 . 4.320 4.325 4.264 4.348 0.028 9 0 "[ . 1]" 1
488 1 37 VAL H 1 40 HIS H 3.380 . 4.960 4.891 4.725 4.973 0.013 10 0 "[ . 1]" 1
489 1 37 VAL H 1 40 HIS HD2 3.220 . 4.640 4.304 3.671 4.659 0.019 7 0 "[ . 1]" 1
490 1 37 VAL H 1 41 LEU MD2 3.650 . 5.500 5.314 5.266 5.416 . 0 0 "[ . 1]" 1
491 1 37 VAL HA 1 37 VAL MG1 2.845 . 3.890 2.430 2.363 2.513 . 0 0 "[ . 1]" 1
492 1 37 VAL HA 1 37 VAL MG2 2.845 . 3.890 2.355 2.309 2.396 . 0 0 "[ . 1]" 1
493 1 37 VAL HA 1 39 ARG H 3.170 . 4.540 4.498 4.287 4.574 0.034 7 0 "[ . 1]" 1
494 1 37 VAL HA 1 40 HIS H 2.785 . 3.770 3.619 3.156 3.783 0.013 5 0 "[ . 1]" 1
495 1 37 VAL HA 1 40 HIS HB2 3.285 . 4.770 2.903 2.536 3.077 . 0 0 "[ . 1]" 1
496 1 37 VAL HA 1 40 HIS HB3 3.190 . 4.580 4.487 4.101 4.601 0.021 8 0 "[ . 1]" 1
497 1 37 VAL HA 1 40 HIS HD2 3.145 . 4.490 3.320 1.880 4.321 . 0 0 "[ . 1]" 1
498 1 37 VAL HA 1 41 LEU H 3.010 . 4.220 4.163 4.004 4.238 0.018 1 0 "[ . 1]" 1
499 1 37 VAL HB 1 38 ASN H 2.520 . 3.240 2.376 2.263 2.689 . 0 0 "[ . 1]" 1
500 1 37 VAL HB 1 40 HIS H 3.650 . 5.500 5.529 5.446 5.549 0.049 4 0 "[ . 1]" 1
501 1 38 ASN H 1 38 ASN HB2 2.410 . 3.020 2.393 2.311 2.562 . 0 0 "[ . 1]" 1
502 1 38 ASN H 1 38 ASN HB3 2.695 . 3.590 3.599 3.584 3.617 0.027 9 0 "[ . 1]" 1
503 1 38 ASN H 1 38 ASN HD21 3.185 . 4.570 3.855 3.601 4.014 . 0 0 "[ . 1]" 1
504 1 38 ASN H 1 38 ASN HD22 2.935 . 4.070 2.521 2.096 3.079 . 0 0 "[ . 1]" 1
505 1 38 ASN H 1 39 ARG H 2.535 . 3.270 2.807 2.655 2.898 . 0 0 "[ . 1]" 1
506 1 38 ASN H 1 40 HIS H 3.105 . 4.410 4.235 4.170 4.344 . 0 0 "[ . 1]" 1
507 1 38 ASN H 1 41 LEU MD2 3.020 . 4.240 3.768 3.710 3.854 . 0 0 "[ . 1]" 1
508 1 38 ASN HA 1 38 ASN HD21 3.265 . 4.730 3.841 3.466 4.115 . 0 0 "[ . 1]" 1
509 1 38 ASN HA 1 38 ASN HD22 3.010 . 4.220 2.970 1.785 3.668 0.015 6 0 "[ . 1]" 1
510 1 38 ASN HA 1 39 ARG H 2.680 . 3.560 3.504 3.455 3.543 . 0 0 "[ . 1]" 1
511 1 38 ASN HA 1 40 HIS H 3.160 . 4.520 4.396 4.262 4.525 0.005 5 0 "[ . 1]" 1
512 1 38 ASN HA 1 41 LEU H 2.740 . 3.680 3.576 3.432 3.665 . 0 0 "[ . 1]" 1
513 1 38 ASN HA 1 41 LEU HB2 3.320 . 4.840 4.834 4.778 4.856 0.016 9 0 "[ . 1]" 1
514 1 38 ASN HA 1 41 LEU HB3 3.225 . 4.650 4.386 4.268 4.449 . 0 0 "[ . 1]" 1
515 1 38 ASN HA 1 41 LEU MD2 2.760 . 3.720 2.133 2.039 2.197 . 0 0 "[ . 1]" 1
516 1 38 ASN HA 1 41 LEU HG 3.195 . 4.590 2.061 1.960 2.131 . 0 0 "[ . 1]" 1
517 1 38 ASN HA 1 42 TYR H 3.080 . 4.360 4.106 3.895 4.243 . 0 0 "[ . 1]" 1
518 1 38 ASN HB2 1 39 ARG H 2.585 . 3.370 2.712 2.391 2.937 . 0 0 "[ . 1]" 1
519 1 38 ASN HB2 1 40 HIS H 3.505 . 5.210 5.084 4.798 5.213 0.003 10 0 "[ . 1]" 1
520 1 38 ASN HB3 1 39 ARG H 2.630 . 3.460 3.355 3.182 3.479 0.019 5 0 "[ . 1]" 1
521 1 38 ASN HB3 1 42 TYR H 3.615 . 5.430 5.072 4.845 5.287 . 0 0 "[ . 1]" 1
522 1 38 ASN HD22 1 39 ARG H 3.225 . 4.650 4.585 4.297 4.704 0.054 9 0 "[ . 1]" 1
523 1 39 ARG H 1 39 ARG QB 2.250 . 2.700 2.362 2.024 2.629 . 0 0 "[ . 1]" 1
524 1 39 ARG H 1 39 ARG QD 3.105 . 4.410 4.234 3.873 4.434 0.024 10 0 "[ . 1]" 1
525 1 39 ARG H 1 39 ARG HG2 2.920 . 4.040 3.134 2.250 4.101 0.061 6 0 "[ . 1]" 1
526 1 39 ARG H 1 39 ARG HG3 3.190 . 4.580 3.862 3.260 4.537 . 0 0 "[ . 1]" 1
527 1 39 ARG H 1 40 HIS H 2.540 . 3.280 2.617 2.554 2.714 . 0 0 "[ . 1]" 1
528 1 39 ARG H 1 40 HIS HB2 3.320 . 4.840 4.737 4.612 4.859 0.019 2 0 "[ . 1]" 1
529 1 39 ARG H 1 40 HIS HD2 3.650 . 5.500 4.490 4.158 5.395 . 0 0 "[ . 1]" 1
530 1 39 ARG H 1 41 LEU H 3.145 . 4.490 4.133 4.057 4.236 . 0 0 "[ . 1]" 1
531 1 39 ARG H 1 41 LEU MD2 3.365 . 4.930 4.910 4.788 4.964 0.034 1 0 "[ . 1]" 1
532 1 39 ARG H 1 42 TYR QB 3.570 . 5.340 4.688 4.611 4.779 . 0 0 "[ . 1]" 1
533 1 39 ARG HA 1 39 ARG HG3 2.885 . 3.970 3.333 2.714 3.761 . 0 0 "[ . 1]" 1
534 1 39 ARG HA 1 40 HIS H 3.000 . 4.500 3.471 3.441 3.550 . 0 0 "[ . 1]" 1
535 1 39 ARG HA 1 41 LEU H 3.345 . 4.890 4.425 4.320 4.535 . 0 0 "[ . 1]" 1
536 1 39 ARG HA 1 42 TYR H 2.765 . 3.730 3.624 3.490 3.783 0.053 5 0 "[ . 1]" 1
537 1 39 ARG HA 1 43 ASN H 3.325 . 4.850 4.402 3.793 4.659 . 0 0 "[ . 1]" 1
538 1 39 ARG QB 1 40 HIS H 2.615 . 3.430 2.983 2.120 3.471 0.041 9 0 "[ . 1]" 1
539 1 39 ARG QB 1 42 TYR H 3.650 . 5.500 4.997 4.944 5.127 . 0 0 "[ . 1]" 1
540 1 39 ARG QB 1 43 ASN QD 3.495 . 5.190 3.944 2.749 4.711 . 0 0 "[ . 1]" 1
541 1 39 ARG QD 1 40 HIS H 3.170 . 4.540 4.045 3.556 4.342 . 0 0 "[ . 1]" 1
542 1 39 ARG HG2 1 40 HIS H 2.765 . 3.730 2.763 2.446 3.062 . 0 0 "[ . 1]" 1
543 1 39 ARG HG2 1 41 LEU H 3.615 . 5.430 5.043 4.785 5.471 0.041 10 0 "[ . 1]" 1
544 1 39 ARG HG2 1 43 ASN QD 3.545 . 5.290 4.252 2.312 5.306 0.016 10 0 "[ . 1]" 1
545 1 39 ARG HG3 1 40 HIS H 3.015 . 4.230 3.180 2.035 4.311 0.081 5 0 "[ . 1]" 1
546 1 39 ARG HG3 1 43 ASN QD 3.205 . 4.610 3.771 2.087 4.481 . 0 0 "[ . 1]" 1
547 1 40 HIS H 1 40 HIS HB2 2.470 . 3.140 2.383 2.302 2.534 . 0 0 "[ . 1]" 1
548 1 40 HIS H 1 40 HIS HB3 2.755 . 3.710 3.600 3.564 3.645 . 0 0 "[ . 1]" 1
549 1 40 HIS H 1 40 HIS HD2 2.730 . 3.660 2.987 2.619 3.681 0.021 2 0 "[ . 1]" 1
550 1 40 HIS H 1 41 LEU H 2.495 . 3.190 2.577 2.498 2.667 . 0 0 "[ . 1]" 1
551 1 40 HIS H 1 41 LEU HA 3.650 . 5.500 5.177 5.092 5.247 . 0 0 "[ . 1]" 1
552 1 40 HIS H 1 41 LEU HB3 3.630 . 5.460 5.199 5.068 5.311 . 0 0 "[ . 1]" 1
553 1 40 HIS H 1 41 LEU MD1 3.465 . 5.130 5.135 5.108 5.158 0.028 6 0 "[ . 1]" 1
554 1 40 HIS H 1 41 LEU MD2 3.310 . 4.820 4.817 4.780 4.842 0.022 4 0 "[ . 1]" 1
555 1 40 HIS H 1 41 LEU HG 3.025 . 4.250 4.034 4.001 4.074 . 0 0 "[ . 1]" 1
556 1 40 HIS H 1 42 TYR H 3.155 . 4.510 3.982 3.856 4.079 . 0 0 "[ . 1]" 1
557 1 40 HIS H 1 42 TYR QB 3.570 . 5.340 4.520 4.367 4.730 . 0 0 "[ . 1]" 1
558 1 40 HIS H 1 43 ASN H 3.545 . 5.290 4.824 4.661 4.942 . 0 0 "[ . 1]" 1
559 1 40 HIS HA 1 41 LEU H 3.000 . 4.500 3.476 3.427 3.522 . 0 0 "[ . 1]" 1
560 1 40 HIS HA 1 42 TYR H 3.195 . 4.590 4.238 4.107 4.372 . 0 0 "[ . 1]" 1
561 1 40 HIS HA 1 43 ASN H 3.000 . 4.500 3.525 3.241 3.747 . 0 0 "[ . 1]" 1
562 1 40 HIS HA 1 43 ASN QD 3.085 . 4.370 2.531 1.830 4.386 0.016 10 0 "[ . 1]" 1
563 1 40 HIS HB2 1 41 LEU H 2.655 . 3.510 2.864 2.582 3.057 . 0 0 "[ . 1]" 1
564 1 40 HIS HB3 1 41 LEU H 2.705 . 3.610 3.641 3.617 3.667 0.057 6 0 "[ . 1]" 1
565 1 40 HIS HB3 1 42 TYR H 3.650 . 5.500 5.476 5.409 5.519 0.019 8 0 "[ . 1]" 1
566 1 40 HIS HB3 1 43 ASN H 3.650 . 5.500 5.362 5.124 5.530 0.030 10 0 "[ . 1]" 1
567 1 40 HIS HD2 1 41 LEU H 3.580 . 5.360 4.995 4.652 5.121 . 0 0 "[ . 1]" 1
568 1 41 LEU H 1 41 LEU HB2 2.740 . 3.680 3.651 3.598 3.679 . 0 0 "[ . 1]" 1
569 1 41 LEU H 1 41 LEU HB3 2.470 . 3.140 2.822 2.740 2.851 . 0 0 "[ . 1]" 1
570 1 41 LEU H 1 41 LEU MD1 2.705 . 3.610 3.416 3.359 3.509 . 0 0 "[ . 1]" 1
571 1 41 LEU H 1 41 LEU MD2 2.540 . 3.280 3.303 3.288 3.331 0.051 9 0 "[ . 1]" 1
572 1 41 LEU H 1 41 LEU HG 2.425 . 3.050 2.084 2.032 2.216 . 0 0 "[ . 1]" 1
573 1 41 LEU H 1 42 TYR H 2.560 . 3.320 2.466 2.426 2.503 . 0 0 "[ . 1]" 1
574 1 41 LEU H 1 42 TYR HA 3.490 . 5.180 4.969 4.931 4.995 . 0 0 "[ . 1]" 1
575 1 41 LEU H 1 42 TYR HB2 3.650 . 5.500 4.007 3.976 4.036 . 0 0 "[ . 1]" 1
576 1 41 LEU H 1 42 TYR QB 3.240 . 4.680 3.921 3.894 3.946 . 0 0 "[ . 1]" 1
577 1 41 LEU H 1 42 TYR HB3 3.650 . 5.500 5.562 5.544 5.570 0.070 5 0 "[ . 1]" 1
578 1 41 LEU H 1 43 ASN H 3.160 . 4.520 3.952 3.822 4.056 . 0 0 "[ . 1]" 1
579 1 41 LEU H 1 44 LEU H 3.620 . 5.440 4.824 4.669 4.956 . 0 0 "[ . 1]" 1
580 1 41 LEU HA 1 41 LEU MD1 2.810 . 3.820 3.688 3.648 3.719 . 0 0 "[ . 1]" 1
581 1 41 LEU HA 1 41 LEU MD2 3.160 . 4.520 4.023 3.999 4.042 . 0 0 "[ . 1]" 1
582 1 41 LEU HA 1 41 LEU HG 2.875 . 3.950 3.706 3.687 3.757 . 0 0 "[ . 1]" 1
583 1 41 LEU HA 1 42 TYR H 3.000 . 4.500 3.503 3.404 3.542 . 0 0 "[ . 1]" 1
584 1 41 LEU HA 1 43 ASN H 3.150 . 4.500 4.060 3.910 4.253 . 0 0 "[ . 1]" 1
585 1 41 LEU HA 1 44 LEU H 2.865 . 3.930 3.223 2.893 3.580 . 0 0 "[ . 1]" 1
586 1 41 LEU HA 1 44 LEU HB2 3.025 . 4.250 2.921 2.642 3.620 . 0 0 "[ . 1]" 1
587 1 41 LEU HA 1 45 GLN H 3.385 . 4.970 3.930 3.787 4.167 . 0 0 "[ . 1]" 1
588 1 41 LEU HB2 1 41 LEU MD1 2.815 . 3.830 2.265 2.235 2.296 . 0 0 "[ . 1]" 1
589 1 41 LEU HB2 1 41 LEU MD2 2.795 . 3.790 2.575 2.526 2.618 . 0 0 "[ . 1]" 1
590 1 41 LEU HB2 1 42 TYR H 2.920 . 4.040 3.962 3.847 4.041 0.001 4 0 "[ . 1]" 1
591 1 41 LEU HB2 1 43 ASN H 3.650 . 5.500 5.512 5.478 5.541 0.041 2 0 "[ . 1]" 1
592 1 41 LEU HB2 1 50 VAL QG 3.180 . 4.560 2.438 1.986 2.963 . 0 0 "[ . 1]" 1
593 1 41 LEU HB3 1 41 LEU MD1 2.685 . 3.570 3.186 3.171 3.195 . 0 0 "[ . 1]" 1
594 1 41 LEU HB3 1 42 TYR H 3.030 . 4.260 4.224 4.169 4.262 0.002 4 0 "[ . 1]" 1
595 1 41 LEU MD1 1 42 TYR H 2.925 . 4.050 2.445 2.380 2.501 . 0 0 "[ . 1]" 1
596 1 41 LEU MD1 1 44 LEU H 3.535 . 5.270 5.160 4.971 5.287 0.017 2 0 "[ . 1]" 1
597 1 41 LEU MD1 1 45 GLN H 3.445 . 5.090 4.497 4.268 4.819 . 0 0 "[ . 1]" 1
598 1 41 LEU MD2 1 42 TYR H 3.025 . 4.250 4.267 4.217 4.294 0.044 4 0 "[ . 1]" 1
599 1 41 LEU HG 1 42 TYR H 2.925 . 4.050 2.764 2.701 2.813 . 0 0 "[ . 1]" 1
600 1 41 LEU HG 1 42 TYR HA 3.205 . 4.610 4.600 4.473 4.645 0.035 5 0 "[ . 1]" 1
601 1 41 LEU HG 1 43 ASN H 3.570 . 5.340 5.059 4.839 5.127 . 0 0 "[ . 1]" 1
602 1 41 LEU HG 1 50 VAL QG 3.390 . 4.980 4.600 4.317 4.884 . 0 0 "[ . 1]" 1
603 1 42 TYR H 1 42 TYR HB2 2.430 . 3.060 1.843 1.814 1.894 . 0 0 "[ . 1]" 1
604 1 42 TYR H 1 42 TYR HB3 2.430 . 3.060 3.197 3.178 3.214 0.154 1 0 "[ . 1]" 1
605 1 42 TYR H 1 42 TYR QD 3.055 . 4.310 3.200 2.840 3.413 . 0 0 "[ . 1]" 1
606 1 42 TYR H 1 43 ASN H 2.500 . 3.200 2.468 2.129 2.592 . 0 0 "[ . 1]" 1
607 1 42 TYR H 1 44 LEU H 3.255 . 4.710 4.146 3.927 4.376 . 0 0 "[ . 1]" 1
608 1 42 TYR H 1 44 LEU HB2 3.650 . 5.500 5.490 5.325 5.590 0.090 10 0 "[ . 1]" 1
609 1 42 TYR H 1 44 LEU HG 3.650 . 5.500 5.370 4.951 5.536 0.036 10 0 "[ . 1]" 1
610 1 42 TYR H 1 45 GLN H 3.530 . 5.260 4.529 4.366 4.654 . 0 0 "[ . 1]" 1
611 1 42 TYR HA 1 42 TYR QD 2.960 . 4.120 2.101 1.864 2.674 . 0 0 "[ . 1]" 1
612 1 42 TYR HA 1 43 ASN H 3.000 . 4.500 3.440 3.378 3.498 . 0 0 "[ . 1]" 1
613 1 42 TYR HA 1 44 LEU H 3.355 . 4.910 4.506 4.331 4.707 . 0 0 "[ . 1]" 1
614 1 42 TYR HA 1 45 GLN H 2.720 . 3.640 3.390 3.224 3.600 . 0 0 "[ . 1]" 1
615 1 42 TYR HA 1 45 GLN HB2 3.135 . 4.470 2.900 2.231 3.703 . 0 0 "[ . 1]" 1
616 1 42 TYR HA 1 45 GLN HB3 2.950 . 4.100 2.798 2.396 3.314 . 0 0 "[ . 1]" 1
617 1 42 TYR QB 1 45 GLN H 3.570 . 5.340 4.694 4.570 4.848 . 0 0 "[ . 1]" 1
618 1 42 TYR QD 1 43 ASN H 3.095 . 4.390 4.454 4.423 4.486 0.096 3 0 "[ . 1]" 1
619 1 42 TYR QD 1 45 GLN H 3.535 . 5.270 5.060 4.830 5.277 0.007 8 0 "[ . 1]" 1
620 1 43 ASN H 1 43 ASN HA 2.355 . 2.910 2.848 2.831 2.893 . 0 0 "[ . 1]" 1
621 1 43 ASN H 1 43 ASN QB 2.605 . 3.410 2.520 2.378 2.661 . 0 0 "[ . 1]" 1
622 1 43 ASN H 1 43 ASN HD21 2.915 . 4.030 4.022 3.912 4.072 0.042 2 0 "[ . 1]" 1
623 1 43 ASN H 1 43 ASN QD 2.615 . 3.430 3.173 2.283 3.470 0.040 3 0 "[ . 1]" 1
624 1 43 ASN H 1 43 ASN HD22 2.915 . 4.030 3.386 2.298 3.777 . 0 0 "[ . 1]" 1
625 1 43 ASN H 1 44 LEU H 2.490 . 3.180 2.642 2.528 2.745 . 0 0 "[ . 1]" 1
626 1 43 ASN H 1 44 LEU HA 3.600 . 5.400 5.253 5.173 5.363 . 0 0 "[ . 1]" 1
627 1 43 ASN H 1 44 LEU HB2 3.360 . 4.920 4.946 4.896 4.969 0.049 4 0 "[ . 1]" 1
628 1 43 ASN H 1 44 LEU HG 3.235 . 4.670 4.261 4.024 4.421 . 0 0 "[ . 1]" 1
629 1 43 ASN H 1 45 GLN H 2.940 . 4.080 3.848 3.727 4.002 . 0 0 "[ . 1]" 1
630 1 43 ASN H 1 45 GLN HB3 3.650 . 5.500 5.129 4.809 5.581 0.081 6 0 "[ . 1]" 1
631 1 43 ASN H 1 46 ARG H 3.650 . 5.500 4.904 4.601 5.113 . 0 0 "[ . 1]" 1
632 1 43 ASN H 1 50 VAL QG 3.400 . 5.000 4.820 4.384 5.010 0.010 5 0 "[ . 1]" 1
633 1 43 ASN HA 1 44 LEU H 3.000 . 4.500 3.517 3.486 3.627 . 0 0 "[ . 1]" 1
634 1 43 ASN HA 1 46 ARG H 2.930 . 4.060 3.738 3.114 4.066 0.006 1 0 "[ . 1]" 1
635 1 43 ASN HA 1 46 ARG QB 3.320 . 4.840 3.442 3.004 3.772 . 0 0 "[ . 1]" 1
636 1 43 ASN QB 1 43 ASN QD 2.450 . 3.100 2.180 2.080 2.682 . 0 0 "[ . 1]" 1
637 1 43 ASN QB 1 44 LEU H 2.610 . 3.420 2.523 2.250 3.461 0.041 6 0 "[ . 1]" 1
638 1 43 ASN QB 1 45 GLN H 3.550 . 5.300 4.527 4.379 5.023 . 0 0 "[ . 1]" 1
639 1 43 ASN QB 1 46 ARG H 3.570 . 5.340 4.991 4.604 5.262 . 0 0 "[ . 1]" 1
640 1 43 ASN HB2 1 44 LEU H 2.930 . 4.060 2.619 2.279 3.924 . 0 0 "[ . 1]" 1
641 1 43 ASN HB3 1 44 LEU H 2.930 . 4.060 3.531 3.405 3.848 . 0 0 "[ . 1]" 1
642 1 43 ASN QD 1 44 LEU H 3.570 . 5.340 4.190 3.267 4.475 . 0 0 "[ . 1]" 1
643 1 44 LEU H 1 44 LEU HB2 2.555 . 3.310 2.620 2.294 2.727 . 0 0 "[ . 1]" 1
644 1 44 LEU H 1 44 LEU HB3 2.800 . 3.800 3.583 3.496 3.649 . 0 0 "[ . 1]" 1
645 1 44 LEU H 1 44 LEU MD1 2.980 . 4.160 3.626 3.504 3.769 . 0 0 "[ . 1]" 1
646 1 44 LEU H 1 44 LEU MD2 2.980 . 4.160 3.137 2.924 3.228 . 0 0 "[ . 1]" 1
647 1 44 LEU H 1 44 LEU HG 2.520 . 3.240 2.182 1.963 2.356 . 0 0 "[ . 1]" 1
648 1 44 LEU H 1 45 GLN H 2.630 . 3.460 2.552 2.257 2.658 . 0 0 "[ . 1]" 1
649 1 44 LEU H 1 45 GLN HB2 3.340 . 4.880 4.652 4.051 4.900 0.020 4 0 "[ . 1]" 1
650 1 44 LEU H 1 45 GLN HB3 3.650 . 5.500 4.940 4.591 5.518 0.018 6 0 "[ . 1]" 1
651 1 44 LEU H 1 46 ARG H 3.185 . 4.570 4.215 3.924 4.576 0.006 9 0 "[ . 1]" 1
652 1 44 LEU H 1 47 SER H 3.650 . 5.500 4.938 4.615 5.122 . 0 0 "[ . 1]" 1
653 1 44 LEU H 1 50 VAL HB 3.650 . 5.500 5.081 4.816 5.618 0.118 10 0 "[ . 1]" 1
654 1 44 LEU H 1 50 VAL QG 3.100 . 4.400 3.431 2.777 3.634 . 0 0 "[ . 1]" 1
655 1 44 LEU HA 1 44 LEU HG 2.705 . 3.610 3.227 3.177 3.309 . 0 0 "[ . 1]" 1
656 1 44 LEU HA 1 45 GLN H 3.000 . 4.500 3.488 3.371 3.528 . 0 0 "[ . 1]" 1
657 1 44 LEU HA 1 47 SER H 2.850 . 3.900 3.367 3.039 3.621 . 0 0 "[ . 1]" 1
658 1 44 LEU HA 1 49 GLN H 3.420 . 5.040 3.759 3.423 4.200 . 0 0 "[ . 1]" 1
659 1 44 LEU HA 1 50 VAL H 3.650 . 5.500 3.966 3.736 4.211 . 0 0 "[ . 1]" 1
660 1 44 LEU HB2 1 44 LEU MD1 2.690 . 3.580 2.320 2.244 2.476 . 0 0 "[ . 1]" 1
661 1 44 LEU HB2 1 44 LEU MD2 2.690 . 3.580 3.199 3.163 3.238 . 0 0 "[ . 1]" 1
662 1 44 LEU HB2 1 45 GLN H 2.665 . 3.530 2.830 2.558 3.195 . 0 0 "[ . 1]" 1
663 1 44 LEU HB2 1 49 GLN H 3.455 . 5.110 4.543 4.293 4.720 . 0 0 "[ . 1]" 1
664 1 44 LEU HB2 1 50 VAL H 3.110 . 4.420 3.356 3.172 3.669 . 0 0 "[ . 1]" 1
665 1 44 LEU HB2 1 50 VAL QG 2.765 . 3.730 1.766 1.729 1.805 0.071 10 0 "[ . 1]" 1
666 1 44 LEU HB2 1 51 PHE H 3.650 . 5.500 5.610 5.584 5.623 0.123 10 0 "[ . 1]" 1
667 1 44 LEU HB3 1 44 LEU MD1 2.710 . 3.620 2.347 2.268 2.422 . 0 0 "[ . 1]" 1
668 1 44 LEU HB3 1 44 LEU MD2 2.710 . 3.620 2.350 2.220 2.498 . 0 0 "[ . 1]" 1
669 1 44 LEU HB3 1 45 GLN H 2.985 . 4.170 3.899 3.701 4.162 . 0 0 "[ . 1]" 1
670 1 44 LEU HB3 1 49 GLN H 3.040 . 4.280 3.549 3.147 3.856 . 0 0 "[ . 1]" 1
671 1 44 LEU HB3 1 50 VAL H 3.105 . 4.410 2.735 2.598 3.031 . 0 0 "[ . 1]" 1
672 1 44 LEU HG 1 45 GLN H 3.280 . 4.760 4.247 3.987 4.514 . 0 0 "[ . 1]" 1
673 1 45 GLN H 1 45 GLN HB2 2.470 . 3.140 2.352 1.796 2.515 0.004 6 0 "[ . 1]" 1
674 1 45 GLN H 1 45 GLN HB3 2.455 . 3.110 2.628 2.364 3.153 0.043 6 0 "[ . 1]" 1
675 1 45 GLN H 1 45 GLN HE22 3.555 . 5.310 5.131 4.580 5.364 0.054 6 0 "[ . 1]" 1
676 1 45 GLN H 1 45 GLN HG2 3.260 . 4.720 4.404 3.691 4.659 . 0 0 "[ . 1]" 1
677 1 45 GLN H 1 45 GLN QG 2.970 . 4.140 3.826 2.821 3.995 . 0 0 "[ . 1]" 1
678 1 45 GLN H 1 45 GLN HG3 3.260 . 4.720 4.223 2.928 4.415 . 0 0 "[ . 1]" 1
679 1 45 GLN H 1 46 ARG H 2.535 . 3.270 2.589 2.406 2.771 . 0 0 "[ . 1]" 1
680 1 45 GLN H 1 46 ARG HE 3.020 . 4.240 4.201 4.052 4.304 0.064 8 0 "[ . 1]" 1
681 1 45 GLN H 1 47 SER H 3.100 . 4.400 3.928 3.667 4.138 . 0 0 "[ . 1]" 1
682 1 45 GLN H 1 48 ASN H 3.480 . 5.160 4.911 4.757 5.063 . 0 0 "[ . 1]" 1
683 1 45 GLN H 1 49 GLN H 3.650 . 5.500 4.811 4.713 5.101 . 0 0 "[ . 1]" 1
684 1 45 GLN H 1 50 VAL H 3.355 . 4.910 4.190 4.017 4.319 . 0 0 "[ . 1]" 1
685 1 45 GLN H 1 50 VAL QG 2.445 . 3.090 2.523 2.388 2.669 . 0 0 "[ . 1]" 1
686 1 45 GLN HA 1 45 GLN HE21 3.450 . 5.100 5.034 3.816 5.195 0.095 10 0 "[ . 1]" 1
687 1 45 GLN HA 1 45 GLN HE22 3.360 . 4.920 3.593 2.362 3.889 . 0 0 "[ . 1]" 1
688 1 45 GLN HA 1 46 ARG H 3.000 . 4.500 3.483 3.397 3.594 . 0 0 "[ . 1]" 1
689 1 45 GLN HA 1 47 SER H 3.060 . 4.320 4.099 3.947 4.323 0.003 9 0 "[ . 1]" 1
690 1 45 GLN HA 1 48 ASN H 2.865 . 3.930 3.418 3.278 3.652 . 0 0 "[ . 1]" 1
691 1 45 GLN HA 1 49 GLN H 2.790 . 3.780 3.654 3.326 3.801 0.021 9 0 "[ . 1]" 1
692 1 45 GLN HA 1 50 VAL H 2.555 . 3.310 3.008 2.817 3.244 . 0 0 "[ . 1]" 1
693 1 45 GLN HA 1 50 VAL QG 2.800 . 3.800 2.560 2.230 2.965 . 0 0 "[ . 1]" 1
694 1 45 GLN HA 1 51 PHE H 3.225 . 4.650 4.697 4.607 4.744 0.094 6 0 "[ . 1]" 1
695 1 45 GLN HB2 1 45 GLN HE21 3.230 . 4.660 3.796 3.567 4.706 0.046 6 0 "[ . 1]" 1
696 1 45 GLN HB2 1 45 GLN HE22 3.280 . 4.760 3.051 2.703 4.232 . 0 0 "[ . 1]" 1
697 1 45 GLN HB2 1 46 ARG H 2.815 . 3.830 3.622 3.015 3.865 0.035 2 0 "[ . 1]" 1
698 1 45 GLN HB2 1 46 ARG HE 3.280 . 4.760 4.326 3.102 4.821 0.061 1 0 "[ . 1]" 1
699 1 45 GLN HB2 1 50 VAL QG 3.045 . 4.290 2.815 2.512 3.164 . 0 0 "[ . 1]" 1
700 1 45 GLN HB3 1 46 ARG H 2.550 . 3.300 2.542 2.129 3.128 . 0 0 "[ . 1]" 1
701 1 45 GLN HB3 1 47 SER H 3.525 . 5.250 4.721 4.328 5.080 . 0 0 "[ . 1]" 1
702 1 45 GLN HB3 1 48 ASN H 3.560 . 5.320 5.176 5.037 5.320 0.000 8 0 "[ . 1]" 1
703 1 45 GLN HE21 1 51 PHE HA 3.370 . 4.940 3.525 2.458 3.962 . 0 0 "[ . 1]" 1
704 1 45 GLN HE21 1 51 PHE QB 3.570 . 5.340 4.290 3.716 4.864 . 0 0 "[ . 1]" 1
705 1 45 GLN HE21 1 52 ASN H 3.265 . 4.730 4.271 3.201 4.750 0.020 1 0 "[ . 1]" 1
706 1 45 GLN HE22 1 51 PHE HA 3.150 . 4.500 2.100 1.857 2.377 . 0 0 "[ . 1]" 1
707 1 45 GLN HE22 1 52 ASN H 3.205 . 4.610 3.582 2.886 4.612 0.002 9 0 "[ . 1]" 1
708 1 45 GLN HE22 1 52 ASN QD 3.570 . 5.340 5.081 4.171 5.356 0.016 2 0 "[ . 1]" 1
709 1 45 GLN QG 1 46 ARG H 3.275 . 4.750 3.713 3.456 4.312 . 0 0 "[ . 1]" 1
710 1 45 GLN QG 1 48 ASN H 3.340 . 4.880 4.416 4.118 4.900 0.020 6 0 "[ . 1]" 1
711 1 45 GLN QG 1 50 VAL H 3.480 . 5.160 4.846 4.156 5.161 0.001 10 0 "[ . 1]" 1
712 1 45 GLN QG 1 50 VAL QG 3.210 . 4.620 3.558 2.150 4.157 . 0 0 "[ . 1]" 1
713 1 45 GLN QG 1 51 PHE H 3.570 . 5.340 5.095 4.158 5.385 0.045 9 0 "[ . 1]" 1
714 1 46 ARG H 1 46 ARG QB 2.250 . 2.700 2.428 1.848 2.653 . 0 0 "[ . 1]" 1
715 1 46 ARG H 1 46 ARG HE 3.285 . 4.770 2.774 2.488 3.392 . 0 0 "[ . 1]" 1
716 1 46 ARG H 1 46 ARG HG2 2.875 . 3.950 2.903 2.111 3.996 0.046 9 0 "[ . 1]" 1
717 1 46 ARG H 1 46 ARG QG 2.575 . 3.350 2.525 2.098 3.419 0.069 4 0 "[ . 1]" 1
718 1 46 ARG H 1 46 ARG HG3 2.875 . 3.950 3.518 2.347 4.011 0.061 4 0 "[ . 1]" 1
719 1 46 ARG H 1 47 SER H 2.480 . 3.160 2.484 2.285 2.653 . 0 0 "[ . 1]" 1
720 1 46 ARG H 1 47 SER QB 3.455 . 5.110 4.386 4.019 4.810 . 0 0 "[ . 1]" 1
721 1 46 ARG H 1 48 ASN H 2.945 . 4.090 3.948 3.812 4.026 . 0 0 "[ . 1]" 1
722 1 46 ARG H 1 50 VAL QG 3.120 . 4.440 4.467 4.452 4.501 0.061 7 0 "[ . 1]" 1
723 1 46 ARG HA 1 46 ARG HG2 2.930 . 4.060 3.225 2.585 3.577 . 0 0 "[ . 1]" 1
724 1 46 ARG HA 1 46 ARG QG 2.655 . 3.510 2.829 2.269 3.179 . 0 0 "[ . 1]" 1
725 1 46 ARG HA 1 46 ARG HG3 2.930 . 4.060 3.332 2.295 3.845 . 0 0 "[ . 1]" 1
726 1 46 ARG HA 1 47 SER H 3.000 . 4.500 3.403 3.304 3.466 . 0 0 "[ . 1]" 1
727 1 46 ARG HA 1 48 ASN H 2.865 . 3.930 3.816 3.586 3.956 0.026 2 0 "[ . 1]" 1
728 1 46 ARG QB 1 46 ARG QD 2.750 . 3.700 2.411 2.076 2.933 . 0 0 "[ . 1]" 1
729 1 46 ARG QB 1 47 SER H 2.545 . 3.290 2.715 2.597 3.052 . 0 0 "[ . 1]" 1
730 1 46 ARG QB 1 48 ASN H 3.180 . 4.560 4.519 4.423 4.586 0.026 8 0 "[ . 1]" 1
731 1 46 ARG QD 1 47 SER H 3.390 . 4.980 4.907 4.443 5.066 0.086 7 0 "[ . 1]" 1
732 1 46 ARG QG 1 47 SER H 3.085 . 4.370 4.097 3.970 4.417 0.047 9 0 "[ . 1]" 1
733 1 47 SER H 1 47 SER QB 2.535 . 3.270 2.389 2.277 2.826 . 0 0 "[ . 1]" 1
734 1 47 SER H 1 48 ASN H 2.400 . 3.000 2.553 2.347 2.682 . 0 0 "[ . 1]" 1
735 1 47 SER H 1 48 ASN HB2 3.605 . 5.410 5.391 5.132 5.435 0.025 1 0 "[ . 1]" 1
736 1 47 SER H 1 49 GLN H 2.965 . 4.130 3.596 3.336 3.846 . 0 0 "[ . 1]" 1
737 1 47 SER H 1 49 GLN QB 3.570 . 5.340 4.263 3.968 4.485 . 0 0 "[ . 1]" 1
738 1 47 SER H 1 50 VAL H 3.650 . 5.500 4.684 4.481 4.786 . 0 0 "[ . 1]" 1
739 1 47 SER QB 1 48 ASN H 2.915 . 4.030 3.570 3.437 3.987 . 0 0 "[ . 1]" 1
740 1 47 SER QB 1 49 GLN H 3.235 . 4.670 3.203 2.837 4.005 . 0 0 "[ . 1]" 1
741 1 47 SER QB 1 49 GLN QB 2.785 . 3.770 2.677 2.385 3.273 . 0 0 "[ . 1]" 1
742 1 47 SER HB2 1 49 GLN H 3.595 . 5.390 4.387 2.894 4.964 . 0 0 "[ . 1]" 1
743 1 47 SER HB3 1 49 GLN H 3.595 . 5.390 3.595 3.029 5.070 . 0 0 "[ . 1]" 1
744 1 48 ASN H 1 48 ASN HA 2.130 . 2.460 2.181 2.157 2.238 . 0 0 "[ . 1]" 1
745 1 48 ASN H 1 48 ASN HB2 2.600 . 3.400 3.341 3.055 3.418 0.018 2 0 "[ . 1]" 1
746 1 48 ASN H 1 48 ASN QD 3.470 . 5.140 3.535 2.104 4.704 . 0 0 "[ . 1]" 1
747 1 48 ASN H 1 49 GLN H 2.510 . 3.220 2.587 2.488 2.668 . 0 0 "[ . 1]" 1
748 1 48 ASN H 1 49 GLN QB 3.340 . 4.880 4.302 4.118 4.455 . 0 0 "[ . 1]" 1
749 1 48 ASN H 1 50 VAL H 3.005 . 4.210 3.865 3.643 4.126 . 0 0 "[ . 1]" 1
750 1 48 ASN H 1 51 PHE QB 3.310 . 4.820 4.863 4.832 4.897 0.077 9 0 "[ . 1]" 1
751 1 48 ASN H 1 51 PHE QD 3.205 . 4.610 3.914 3.844 4.124 . 0 0 "[ . 1]" 1
752 1 48 ASN H 1 51 PHE QE 3.330 . 4.860 4.836 4.257 4.911 0.051 2 0 "[ . 1]" 1
753 1 48 ASN HA 1 49 GLN H 2.525 . 3.250 2.800 2.699 2.886 . 0 0 "[ . 1]" 1
754 1 48 ASN HA 1 50 VAL H 2.830 . 3.860 3.606 3.241 3.901 0.041 10 0 "[ . 1]" 1
755 1 48 ASN HB2 1 48 ASN HD21 2.930 . 4.060 3.524 3.454 3.774 . 0 0 "[ . 1]" 1
756 1 48 ASN HB2 1 48 ASN QD 2.625 . 3.450 2.322 2.175 2.851 . 0 0 "[ . 1]" 1
757 1 48 ASN HB2 1 48 ASN HD22 2.930 . 4.060 2.361 2.199 2.950 . 0 0 "[ . 1]" 1
758 1 48 ASN HB2 1 49 GLN H 3.130 . 4.460 4.240 4.103 4.492 0.032 8 0 "[ . 1]" 1
759 1 48 ASN HB3 1 49 GLN H 3.420 . 5.040 4.347 4.062 4.446 . 0 0 "[ . 1]" 1
760 1 49 GLN H 1 49 GLN HB2 2.560 . 3.320 2.682 2.558 2.940 . 0 0 "[ . 1]" 1
761 1 49 GLN H 1 49 GLN QB 2.350 . 2.900 2.331 2.225 2.417 . 0 0 "[ . 1]" 1
762 1 49 GLN H 1 49 GLN HB3 2.560 . 3.320 2.598 2.386 2.875 . 0 0 "[ . 1]" 1
763 1 49 GLN H 1 50 VAL H 2.405 . 3.010 1.926 1.802 2.164 . 0 0 "[ . 1]" 1
764 1 49 GLN H 1 50 VAL HA 3.455 . 5.110 4.528 4.464 4.651 . 0 0 "[ . 1]" 1
765 1 49 GLN H 1 50 VAL QG 2.810 . 3.820 3.895 3.823 3.930 0.110 8 0 "[ . 1]" 1
766 1 49 GLN H 1 51 PHE QB 3.570 . 5.340 5.103 4.681 5.295 . 0 0 "[ . 1]" 1
767 1 49 GLN QB 1 49 GLN QE 3.090 . 4.380 2.799 1.849 3.656 . 0 0 "[ . 1]" 1
768 1 49 GLN QB 1 50 VAL H 2.630 . 3.460 2.677 2.260 3.070 . 0 0 "[ . 1]" 1
769 1 49 GLN HB2 1 50 VAL H 2.995 . 4.190 3.757 3.570 4.130 . 0 0 "[ . 1]" 1
770 1 49 GLN HB3 1 50 VAL H 2.995 . 4.190 2.752 2.285 3.219 . 0 0 "[ . 1]" 1
771 1 49 GLN QE 1 50 VAL H 3.570 . 5.340 4.239 3.520 4.784 . 0 0 "[ . 1]" 1
772 1 49 GLN QE 1 50 VAL HA 3.075 . 4.350 4.110 3.688 4.402 0.052 7 0 "[ . 1]" 1
773 1 49 GLN QE 1 50 VAL HB 2.810 . 3.820 3.492 2.814 3.917 0.097 10 0 "[ . 1]" 1
774 1 49 GLN QE 1 50 VAL QG 3.405 . 5.010 3.431 1.827 4.023 . 0 0 "[ . 1]" 1
775 1 50 VAL H 1 50 VAL HB 2.715 . 3.630 3.037 2.719 3.724 0.094 10 0 "[ . 1]" 1
776 1 50 VAL H 1 50 VAL QG 2.345 . 2.890 2.544 2.379 2.701 . 0 0 "[ . 1]" 1
777 1 50 VAL H 1 51 PHE H 3.085 . 4.370 4.050 3.909 4.168 . 0 0 "[ . 1]" 1
778 1 50 VAL H 1 51 PHE QB 3.260 . 4.720 4.416 4.046 4.666 . 0 0 "[ . 1]" 1
779 1 50 VAL HA 1 51 PHE H 2.680 . 3.560 2.060 1.919 2.367 . 0 0 "[ . 1]" 1
780 1 50 VAL HB 1 51 PHE H 3.080 . 4.360 3.924 2.845 4.159 . 0 0 "[ . 1]" 1
781 1 50 VAL QG 1 51 PHE H 2.390 . 2.980 2.337 2.097 2.988 0.008 10 0 "[ . 1]" 1
782 1 50 VAL QG 1 51 PHE HA 3.180 . 4.560 2.921 2.730 3.236 . 0 0 "[ . 1]" 1
783 1 50 VAL QG 1 51 PHE QE 3.620 . 5.440 5.199 4.878 5.415 . 0 0 "[ . 1]" 1
784 1 51 PHE H 1 51 PHE QB 2.730 . 3.660 3.393 2.806 3.484 . 0 0 "[ . 1]" 1
785 1 51 PHE H 1 51 PHE QD 2.690 . 3.580 3.590 3.474 3.760 0.180 9 0 "[ . 1]" 1
786 1 51 PHE H 1 52 ASN H 3.275 . 4.750 4.325 4.212 4.386 . 0 0 "[ . 1]" 1
787 1 51 PHE H 1 61 ASP H 3.000 . 4.500 3.194 2.967 3.498 . 0 0 "[ . 1]" 1
788 1 51 PHE H 1 61 ASP HA 3.000 . 6.000 4.751 3.984 5.393 . 0 0 "[ . 1]" 1
789 1 51 PHE H 1 62 LEU HA 3.000 . 4.500 3.899 3.129 4.438 . 0 0 "[ . 1]" 1
790 1 51 PHE HA 1 52 ASN H 2.380 . 2.960 2.738 2.530 2.903 . 0 0 "[ . 1]" 1
791 1 51 PHE QB 1 52 ASN H 2.475 . 3.150 2.041 1.776 2.364 0.024 7 0 "[ . 1]" 1
792 1 51 PHE QD 1 52 ASN H 2.745 . 3.690 3.165 2.867 3.682 . 0 0 "[ . 1]" 1
793 1 51 PHE QE 1 52 ASN H 3.000 . 6.000 5.372 4.551 5.910 . 0 0 "[ . 1]" 1
794 1 52 ASN H 1 52 ASN HB2 2.960 . 4.120 3.038 2.583 3.779 . 0 0 "[ . 1]" 1
795 1 52 ASN H 1 52 ASN QB 2.700 . 3.600 2.725 2.535 3.056 . 0 0 "[ . 1]" 1
796 1 52 ASN H 1 52 ASN HB3 2.960 . 4.120 3.470 3.063 3.727 . 0 0 "[ . 1]" 1
797 1 52 ASN H 1 52 ASN QD 3.110 . 4.420 3.886 2.351 4.366 . 0 0 "[ . 1]" 1
798 1 52 ASN H 1 53 SER H 3.205 . 4.610 4.417 4.160 4.543 . 0 0 "[ . 1]" 1
799 1 52 ASN H 1 53 SER HA 3.650 . 5.500 5.021 4.747 5.285 . 0 0 "[ . 1]" 1
800 1 52 ASN HA 1 53 SER H 2.395 . 2.990 2.144 1.925 2.308 . 0 0 "[ . 1]" 1
801 1 52 ASN HA 1 59 VAL H 3.030 . 4.260 3.786 3.570 4.287 0.027 7 0 "[ . 1]" 1
802 1 52 ASN QB 1 53 SER H 2.505 . 3.210 2.803 2.599 3.003 . 0 0 "[ . 1]" 1
803 1 52 ASN QB 1 59 VAL H 3.135 . 4.470 3.525 2.972 4.083 . 0 0 "[ . 1]" 1
804 1 52 ASN HB2 1 53 SER H 2.760 . 3.720 3.474 2.646 3.817 0.097 3 0 "[ . 1]" 1
805 1 52 ASN HB3 1 53 SER H 2.760 . 3.720 3.218 2.669 3.821 0.101 10 0 "[ . 1]" 1
806 1 52 ASN QD 1 53 SER H 3.365 . 4.930 4.336 3.560 5.011 0.081 6 0 "[ . 1]" 1
807 1 53 SER H 1 53 SER HB2 2.660 . 3.520 3.187 2.563 3.398 . 0 0 "[ . 1]" 1
808 1 53 SER H 1 53 SER HB3 2.660 . 3.520 2.960 2.676 3.653 0.133 6 0 "[ . 1]" 1
809 1 53 SER H 1 54 ASN H 3.300 . 4.800 4.154 3.924 4.370 . 0 0 "[ . 1]" 1
810 1 53 SER H 1 54 ASN QB 3.570 . 5.340 4.752 4.017 5.443 0.103 8 0 "[ . 1]" 1
811 1 53 SER H 1 55 GLU H 3.200 . 4.600 4.329 4.179 4.570 . 0 0 "[ . 1]" 1
812 1 53 SER H 1 55 GLU HG3 3.650 . 5.500 5.387 5.085 5.544 0.044 6 0 "[ . 1]" 1
813 1 53 SER H 1 59 VAL H 2.745 . 3.690 2.350 2.199 2.544 . 0 0 "[ . 1]" 1
814 1 53 SER H 1 59 VAL HB 2.965 . 4.130 4.177 4.086 4.220 0.090 2 0 "[ . 1]" 1
815 1 53 SER H 1 60 TRP HA 3.000 . 4.500 4.369 4.045 4.537 0.037 9 0 "[ . 1]" 1
816 1 53 SER QB 1 59 VAL H 3.035 . 4.270 4.190 3.894 4.340 0.070 2 0 "[ . 1]" 1
817 1 54 ASN H 1 59 VAL H 3.480 . 5.160 5.119 4.781 5.269 0.109 6 0 "[ . 1]" 1
818 1 54 ASN QB 1 54 ASN QD 2.500 . 3.200 2.229 2.184 2.344 . 0 0 "[ . 1]" 1
819 1 54 ASN QD 1 55 GLU QB 3.105 . 4.410 2.818 2.415 3.474 . 0 0 "[ . 1]" 1
820 1 54 ASN QD 1 55 GLU HG2 2.585 . 3.370 2.722 2.335 3.380 0.010 9 0 "[ . 1]" 1
821 1 54 ASN HD21 1 55 GLU HG2 2.865 . 3.930 3.780 3.090 3.963 0.033 3 0 "[ . 1]" 1
822 1 54 ASN HD22 1 55 GLU HG2 2.865 . 3.930 2.968 2.352 3.944 0.014 9 0 "[ . 1]" 1
823 1 55 GLU H 1 55 GLU HB2 2.935 . 4.070 3.808 3.644 4.002 . 0 0 "[ . 1]" 1
824 1 55 GLU H 1 55 GLU HB3 2.935 . 4.070 3.381 3.044 3.601 . 0 0 "[ . 1]" 1
825 1 55 GLU H 1 55 GLU HG2 3.045 . 4.290 2.240 1.868 2.640 . 0 0 "[ . 1]" 1
826 1 55 GLU H 1 55 GLU HG3 2.880 . 3.960 3.155 2.927 3.330 . 0 0 "[ . 1]" 1
827 1 55 GLU H 1 56 LYS H 3.235 . 4.670 4.379 4.250 4.468 . 0 0 "[ . 1]" 1
828 1 55 GLU H 1 59 VAL H 3.455 . 5.110 3.597 3.346 4.082 . 0 0 "[ . 1]" 1
829 1 55 GLU HA 1 55 GLU HG3 3.015 . 4.230 3.906 3.839 3.954 . 0 0 "[ . 1]" 1
830 1 55 GLU HA 1 56 LYS H 2.310 . 2.820 2.631 2.488 2.825 0.005 6 0 "[ . 1]" 1
831 1 55 GLU QB 1 56 LYS H 2.390 . 2.980 1.962 1.777 2.100 0.023 6 0 "[ . 1]" 1
832 1 55 GLU HG2 1 59 VAL H 3.100 . 4.400 3.333 3.081 4.100 . 0 0 "[ . 1]" 1
833 1 55 GLU HG3 1 56 LYS H 2.850 . 3.900 3.589 3.143 3.899 . 0 0 "[ . 1]" 1
834 1 55 GLU HG3 1 59 VAL H 3.015 . 4.230 3.431 3.033 3.911 . 0 0 "[ . 1]" 1
835 1 56 LYS H 1 56 LYS QB 2.380 . 2.960 2.472 2.273 2.557 . 0 0 "[ . 1]" 1
836 1 56 LYS H 1 56 LYS HG2 2.960 . 4.120 3.448 2.569 4.133 0.013 1 0 "[ . 1]" 1
837 1 56 LYS H 1 56 LYS QG 2.665 . 3.530 2.747 2.263 3.586 0.056 8 0 "[ . 1]" 1
838 1 56 LYS H 1 56 LYS HG3 2.960 . 4.120 3.200 2.293 4.085 . 0 0 "[ . 1]" 1
839 1 59 VAL H 1 59 VAL HB 2.470 . 3.140 2.576 2.335 2.750 . 0 0 "[ . 1]" 1
840 1 59 VAL H 1 60 TRP H 3.645 . 5.490 4.518 4.348 4.579 . 0 0 "[ . 1]" 1
841 1 59 VAL HA 1 59 VAL MG1 2.765 . 3.730 3.233 3.204 3.266 . 0 0 "[ . 1]" 1
842 1 59 VAL HA 1 59 VAL MG2 2.765 . 3.730 2.337 2.261 2.401 . 0 0 "[ . 1]" 1
843 1 59 VAL HA 1 60 TRP H 2.435 . 3.070 2.103 2.011 2.179 . 0 0 "[ . 1]" 1
844 1 59 VAL HA 1 61 ASP H 3.355 . 4.910 4.942 4.862 4.980 0.070 7 0 "[ . 1]" 1
845 1 59 VAL HB 1 60 TRP H 3.040 . 4.280 4.198 4.115 4.290 0.010 6 0 "[ . 1]" 1
846 1 59 VAL MG1 1 60 TRP H 2.915 . 4.030 3.885 3.737 4.041 0.011 6 0 "[ . 1]" 1
847 1 59 VAL MG1 1 61 ASP H 3.165 . 4.530 3.101 2.687 3.499 . 0 0 "[ . 1]" 1
848 1 59 VAL MG1 1 62 LEU H 3.175 . 4.550 4.448 4.026 4.639 0.089 8 0 "[ . 1]" 1
849 1 59 VAL MG2 1 60 TRP H 2.915 . 4.030 2.548 2.371 2.916 . 0 0 "[ . 1]" 1
850 1 59 VAL MG2 1 61 ASP H 3.165 . 4.530 3.418 3.174 3.788 . 0 0 "[ . 1]" 1
851 1 59 VAL MG2 1 62 LEU H 3.175 . 4.550 4.622 4.526 4.691 0.141 2 0 "[ . 1]" 1
852 1 60 TRP H 1 60 TRP HB2 2.785 . 3.770 2.529 2.472 2.595 . 0 0 "[ . 1]" 1
853 1 60 TRP H 1 60 TRP HB3 2.785 . 3.770 3.643 3.609 3.715 . 0 0 "[ . 1]" 1
854 1 60 TRP H 1 60 TRP HD1 2.730 . 3.660 2.272 2.012 2.722 . 0 0 "[ . 1]" 1
855 1 60 TRP H 1 61 ASP H 3.000 . 4.200 3.906 3.781 3.963 . 0 0 "[ . 1]" 1
856 1 60 TRP HA 1 61 ASP H 2.655 . 3.510 1.926 1.834 2.012 . 0 0 "[ . 1]" 1
857 1 60 TRP QB 1 61 ASP H 2.660 . 3.520 3.511 3.438 3.560 0.040 7 0 "[ . 1]" 1
858 1 60 TRP HD1 1 61 ASP H 3.620 . 5.440 5.488 5.441 5.523 0.083 10 0 "[ . 1]" 1
859 1 61 ASP H 1 61 ASP QB 2.615 . 3.430 2.805 2.583 3.018 . 0 0 "[ . 1]" 1
860 1 61 ASP H 1 62 LEU QB 3.195 . 4.590 4.662 4.614 4.697 0.107 3 0 "[ . 1]" 1
861 1 61 ASP HA 1 62 LEU H 2.655 . 3.510 2.558 2.293 2.821 . 0 0 "[ . 1]" 1
862 1 61 ASP QB 1 62 LEU H 2.920 . 4.040 2.775 2.401 3.020 . 0 0 "[ . 1]" 1
863 1 61 ASP HB2 1 62 LEU H 3.240 . 4.680 3.511 3.435 3.599 . 0 0 "[ . 1]" 1
864 1 61 ASP HB3 1 62 LEU H 3.240 . 4.680 2.920 2.451 3.316 . 0 0 "[ . 1]" 1
865 1 62 LEU H 1 62 LEU QB 2.415 . 3.030 2.870 2.414 3.104 0.074 10 0 "[ . 1]" 1
866 1 62 LEU HA 1 63 MET H 2.665 . 3.530 2.728 2.159 3.193 . 0 0 "[ . 1]" 1
867 1 62 LEU QB 1 63 MET H 2.630 . 3.460 2.485 1.878 3.537 0.077 8 0 "[ . 1]" 1
868 1 63 MET H 1 63 MET QB 2.735 . 3.670 2.457 2.314 2.619 . 0 0 "[ . 1]" 1
869 1 63 MET H 1 64 GLU H 3.080 . 4.360 2.603 1.775 4.401 0.041 8 0 "[ . 1]" 1
870 1 63 MET H 1 64 GLU QB 2.980 . 4.160 3.808 2.878 4.350 0.190 6 0 "[ . 1]" 1
871 1 63 MET QB 1 64 GLU H 2.995 . 4.190 3.118 1.898 3.844 . 0 0 "[ . 1]" 1
872 1 63 MET QB 1 64 GLU QB 2.785 . 3.770 3.769 3.536 3.902 0.132 8 0 "[ . 1]" 1
873 1 64 GLU H 1 64 GLU QB 2.880 . 3.960 2.669 2.291 3.161 . 0 0 "[ . 1]" 1
874 1 64 GLU H 1 64 GLU QG 3.140 . 4.480 3.636 2.481 4.369 . 0 0 "[ . 1]" 1
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