NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
471427 |
2kxy   |
16927 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kxy
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 896
_Distance_constraint_stats_list.Viol_count 1051
_Distance_constraint_stats_list.Viol_total 888.386
_Distance_constraint_stats_list.Viol_max 0.699
_Distance_constraint_stats_list.Viol_rms 0.0432
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.0845
_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 2 ILE 0.075 0.039 7 0 "[ . 1]"
1 3 SER 1.168 0.338 2 0 "[ . 1]"
1 4 LEU 3.742 0.699 1 2 "[+- . 1]"
1 5 ARG 3.660 0.699 1 2 "[+- . 1]"
1 6 LYS 0.221 0.075 9 0 "[ . 1]"
1 7 LEU 2.739 0.486 1 0 "[ . 1]"
1 8 SER 6.850 0.452 4 0 "[ . 1]"
1 9 LYS 6.021 0.468 1 0 "[ . 1]"
1 10 SER 6.458 0.468 1 0 "[ . 1]"
1 11 VAL 1.208 0.114 7 0 "[ . 1]"
1 12 PRO 1.883 0.177 7 0 "[ . 1]"
1 13 VAL 3.223 0.514 7 1 "[ . + 1]"
1 14 LYS 1.883 0.313 8 0 "[ . 1]"
1 15 LEU 2.482 0.313 8 0 "[ . 1]"
1 16 GLU 1.085 0.195 9 0 "[ . 1]"
1 17 LEU 2.816 0.360 4 0 "[ . 1]"
1 18 THR 2.431 0.360 4 0 "[ . 1]"
1 19 GLY 1.470 0.302 6 0 "[ . 1]"
1 20 ASP 1.584 0.207 7 0 "[ . 1]"
1 21 LYS 2.205 0.207 7 0 "[ . 1]"
1 22 ALA 1.051 0.199 6 0 "[ . 1]"
1 23 SER 0.249 0.153 3 0 "[ . 1]"
1 24 ASN 1.951 0.372 3 0 "[ . 1]"
1 25 VAL 1.032 0.165 7 0 "[ . 1]"
1 26 SER 1.413 0.208 8 0 "[ . 1]"
1 27 SER 0.424 0.126 3 0 "[ . 1]"
1 28 ILE 1.741 0.178 6 0 "[ . 1]"
1 29 SER 1.481 0.169 3 0 "[ . 1]"
1 30 TYR 1.120 0.167 8 0 "[ . 1]"
1 31 SER 0.675 0.131 4 0 "[ . 1]"
1 32 PHE 0.606 0.110 1 0 "[ . 1]"
1 33 ASP 0.437 0.095 7 0 "[ . 1]"
1 34 ARG 1.571 0.320 8 0 "[ . 1]"
1 35 GLY 0.011 0.011 5 0 "[ . 1]"
1 36 HIS 1.912 0.166 1 0 "[ . 1]"
1 37 VAL 2.801 0.410 1 0 "[ . 1]"
1 38 THR 2.006 0.410 1 0 "[ . 1]"
1 39 ILE 5.991 0.318 3 0 "[ . 1]"
1 40 VAL 1.554 0.637 4 1 "[ +. 1]"
1 41 GLY 2.055 0.225 5 0 "[ . 1]"
1 42 SER 1.218 0.158 1 0 "[ . 1]"
1 43 GLN 1.242 0.132 2 0 "[ . 1]"
1 44 GLU 1.205 0.461 10 0 "[ . 1]"
1 45 ALA 0.995 0.352 2 0 "[ . 1]"
1 46 MET 0.764 0.240 2 0 "[ . 1]"
1 47 ASP 0.115 0.027 2 0 "[ . 1]"
1 48 LYS 0.289 0.138 8 0 "[ . 1]"
1 49 ILE 2.024 0.240 2 0 "[ . 1]"
1 50 ASP 0.124 0.026 6 0 "[ . 1]"
1 51 SER 2.189 0.177 7 0 "[ . 1]"
1 52 ILE 4.921 0.514 7 1 "[ . + 1]"
1 53 THR 1.605 0.514 7 1 "[ . + 1]"
1 54 VAL 1.847 0.220 7 0 "[ . 1]"
1 55 PRO 0.198 0.088 2 0 "[ . 1]"
1 56 VAL 3.085 0.246 4 0 "[ . 1]"
1 57 ASP 0.421 0.137 6 0 "[ . 1]"
1 58 ILE 3.338 0.221 8 0 "[ . 1]"
1 59 SER 0.695 0.135 10 0 "[ . 1]"
1 60 GLN 0.341 0.254 6 0 "[ . 1]"
1 61 VAL 1.318 0.427 6 0 "[ . 1]"
1 62 THR 0.317 0.167 5 0 "[ . 1]"
1 63 GLU 2.639 0.427 6 0 "[ . 1]"
1 64 ASP 2.636 0.518 3 1 "[ + . 1]"
1 65 THR 1.758 0.258 7 0 "[ . 1]"
1 66 SER 0.183 0.090 1 0 "[ . 1]"
1 67 LYS 3.862 0.488 9 0 "[ . 1]"
1 68 THR 0.459 0.222 8 0 "[ . 1]"
1 69 LEU 2.398 0.488 9 0 "[ . 1]"
1 70 GLU 1.095 0.434 10 0 "[ . 1]"
1 71 LEU 0.369 0.131 2 0 "[ . 1]"
1 72 LYS 0.603 0.142 6 0 "[ . 1]"
1 73 ALA 0.647 0.142 6 0 "[ . 1]"
1 74 GLU 2.135 0.381 4 0 "[ . 1]"
1 75 GLY 0.880 0.381 4 0 "[ . 1]"
1 76 VAL 2.436 0.209 6 0 "[ . 1]"
1 77 THR 1.614 0.637 4 1 "[ +. 1]"
1 78 VAL 1.828 0.441 8 0 "[ . 1]"
1 79 GLN 1.452 0.441 8 0 "[ . 1]"
1 80 PRO 0.287 0.101 3 0 "[ . 1]"
1 81 SER 0.427 0.101 3 0 "[ . 1]"
1 82 THR 0.730 0.131 2 0 "[ . 1]"
1 83 VAL 1.499 0.222 4 0 "[ . 1]"
1 84 LYS 1.423 0.374 3 0 "[ . 1]"
1 85 VAL 3.929 0.374 3 0 "[ . 1]"
1 86 ASN 1.261 0.158 8 0 "[ . 1]"
1 87 LEU 1.285 0.156 5 0 "[ . 1]"
1 88 LYS 1.814 0.327 2 0 "[ . 1]"
1 89 VAL 3.046 0.518 3 1 "[ + . 1]"
1 90 THR 1.687 0.258 8 0 "[ . 1]"
1 91 GLN 2.966 0.258 8 0 "[ . 1]"
1 92 LYS 1.846 0.377 1 0 "[ . 1]"
1 93 LEU 3.531 0.405 3 0 "[ . 1]"
1 94 GLU 2.719 0.526 3 1 "[ + . 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 2 ILE H 1 2 ILE MD 3.900 . 3.900 3.150 1.761 3.936 0.039 7 0 "[ . 1]" 1
2 1 2 ILE H 1 2 ILE QG 3.880 . 3.880 2.191 1.898 3.331 . 0 0 "[ . 1]" 1
3 1 2 ILE HA 1 2 ILE MD 4.260 . 4.260 3.493 2.203 4.185 . 0 0 "[ . 1]" 1
4 1 2 ILE HB 1 3 SER H 5.500 . 5.500 3.421 2.355 4.423 . 0 0 "[ . 1]" 1
5 1 2 ILE MD 1 3 SER H 6.000 . 6.000 4.237 3.879 4.952 . 0 0 "[ . 1]" 1
6 1 2 ILE MG 1 3 SER H 5.430 . 5.430 3.535 2.339 4.093 . 0 0 "[ . 1]" 1
7 1 3 SER HA 1 4 LEU H 3.380 . 3.380 2.909 2.255 3.543 0.163 4 0 "[ . 1]" 1
8 1 3 SER QB 1 4 LEU H 4.890 . 4.890 2.739 2.029 4.019 . 0 0 "[ . 1]" 1
9 1 3 SER QB 1 4 LEU QB 4.820 . 4.820 4.333 4.026 4.633 . 0 0 "[ . 1]" 1
10 1 3 SER QB 1 5 ARG H 5.990 . 5.990 5.738 4.730 6.328 0.338 2 0 "[ . 1]" 1
11 1 4 LEU H 1 4 LEU QB 3.420 . 3.420 2.602 2.202 3.376 . 0 0 "[ . 1]" 1
12 1 4 LEU HA 1 4 LEU QD 3.470 . 3.470 2.359 2.158 3.076 . 0 0 "[ . 1]" 1
13 1 4 LEU HA 1 5 ARG H 3.080 . 3.080 2.308 2.102 3.168 0.088 4 0 "[ . 1]" 1
14 1 4 LEU QB 1 4 LEU QD 2.590 . 2.590 1.958 1.949 1.971 . 0 0 "[ . 1]" 1
15 1 4 LEU QB 1 5 ARG H 3.550 . 3.550 3.202 1.952 3.823 0.273 9 0 "[ . 1]" 1
16 1 4 LEU QD 1 5 ARG H 4.680 . 4.680 2.899 1.846 3.968 . 0 0 "[ . 1]" 1
17 1 4 LEU QD 1 5 ARG QD 5.040 . 5.040 4.808 2.878 5.739 0.699 1 2 "[+- . 1]" 1
18 1 5 ARG H 1 5 ARG QD 5.350 . 5.350 4.165 3.582 4.521 . 0 0 "[ . 1]" 1
19 1 5 ARG HA 1 6 LYS H 2.740 . 2.740 2.398 2.166 2.785 0.045 7 0 "[ . 1]" 1
20 1 6 LYS H 1 6 LYS QB 3.020 . 3.020 2.565 2.385 3.095 0.075 9 0 "[ . 1]" 1
21 1 6 LYS HA 1 6 LYS QG 3.900 . 3.900 2.718 2.367 3.339 . 0 0 "[ . 1]" 1
22 1 6 LYS HA 1 7 LEU H 2.810 . 2.810 2.210 2.149 2.340 . 0 0 "[ . 1]" 1
23 1 6 LYS QB 1 7 LEU H 3.070 . 3.070 2.947 2.675 3.134 0.064 1 0 "[ . 1]" 1
24 1 7 LEU H 1 7 LEU QB . . 3.150 2.550 2.256 2.862 . 0 0 "[ . 1]" 1
25 1 7 LEU H 1 7 LEU QD 3.620 . 3.620 3.244 2.116 4.106 0.486 1 0 "[ . 1]" 1
26 1 7 LEU H 1 8 SER H 4.390 . 4.390 4.455 4.256 4.544 0.154 6 0 "[ . 1]" 1
27 1 7 LEU H 1 8 SER HA 5.180 . 5.180 5.137 4.742 5.403 0.223 6 0 "[ . 1]" 1
28 1 7 LEU H 1 8 SER QB 5.210 . 5.210 4.981 4.492 5.270 0.060 2 0 "[ . 1]" 1
29 1 7 LEU H 1 41 GLY H 4.250 . 4.250 4.285 4.110 4.387 0.137 7 0 "[ . 1]" 1
30 1 7 LEU HA 1 7 LEU QD 2.890 . 2.890 2.189 2.101 2.290 . 0 0 "[ . 1]" 1
31 1 7 LEU HA 1 8 SER H 2.710 . 2.710 2.306 2.202 2.557 . 0 0 "[ . 1]" 1
32 1 7 LEU QB 1 8 SER H . . 3.910 2.736 2.125 3.566 . 0 0 "[ . 1]" 1
33 1 7 LEU QB 1 43 GLN HA 5.480 . 5.480 4.402 3.684 4.865 . 0 0 "[ . 1]" 1
34 1 7 LEU QD 1 8 SER H 3.580 . 3.580 3.268 2.231 3.556 . 0 0 "[ . 1]" 1
35 1 7 LEU QD 1 43 GLN H 4.600 . 4.600 3.492 2.752 4.335 . 0 0 "[ . 1]" 1
36 1 7 LEU QD 1 43 GLN HA 4.330 . 4.330 3.501 2.119 4.353 0.023 9 0 "[ . 1]" 1
37 1 7 LEU QD 1 43 GLN QB 4.650 . 4.650 2.830 2.307 3.886 . 0 0 "[ . 1]" 1
38 1 7 LEU QD 1 43 GLN QE 4.750 . 4.750 3.195 1.963 4.362 . 0 0 "[ . 1]" 1
39 1 7 LEU QD 1 43 GLN QG 4.360 . 4.360 3.252 2.127 3.921 . 0 0 "[ . 1]" 1
40 1 7 LEU QD 1 44 GLU H 5.920 . 5.920 5.375 4.630 5.987 0.067 9 0 "[ . 1]" 1
41 1 8 SER H 1 8 SER QB 3.660 . 3.660 2.957 2.699 3.247 . 0 0 "[ . 1]" 1
42 1 8 SER H 1 9 LYS H 4.280 . 4.280 4.264 4.132 4.338 0.058 8 0 "[ . 1]" 1
43 1 8 SER H 1 9 LYS QD 4.750 . 4.750 4.954 4.550 5.202 0.452 4 0 "[ . 1]" 1
44 1 8 SER HA 1 9 LYS H 3.000 . 3.000 2.215 2.181 2.258 . 0 0 "[ . 1]" 1
45 1 8 SER HA 1 9 LYS QB 4.180 . 4.180 4.180 3.816 4.267 0.087 2 0 "[ . 1]" 1
46 1 8 SER HA 1 38 THR HG1 4.430 . 4.430 3.746 3.582 3.979 . 0 0 "[ . 1]" 1
47 1 8 SER HA 1 40 VAL HA 3.410 . 3.410 2.901 2.789 2.966 . 0 0 "[ . 1]" 1
48 1 8 SER HA 1 40 VAL QG 3.880 . 3.880 3.031 2.880 3.616 . 0 0 "[ . 1]" 1
49 1 8 SER HA 1 41 GLY H 4.220 . 4.220 4.237 4.019 4.365 0.145 6 0 "[ . 1]" 1
50 1 8 SER HA 1 76 VAL QG 6.140 . 6.140 6.068 5.694 6.229 0.089 2 0 "[ . 1]" 1
51 1 8 SER QB 1 9 LYS H 3.440 . 3.440 3.175 2.712 3.573 0.133 10 0 "[ . 1]" 1
52 1 8 SER QB 1 38 THR HG1 3.410 . 3.410 2.723 2.108 3.195 . 0 0 "[ . 1]" 1
53 1 8 SER QB 1 39 ILE H 4.890 . 4.890 4.657 3.932 5.157 0.267 10 0 "[ . 1]" 1
54 1 8 SER QB 1 40 VAL QG 3.650 . 3.650 2.614 2.428 3.167 . 0 0 "[ . 1]" 1
55 1 8 SER QB 1 41 GLY H 5.310 . 5.310 5.358 5.150 5.535 0.225 5 0 "[ . 1]" 1
56 1 9 LYS H 1 9 LYS QB 3.820 . 3.820 2.773 2.727 2.835 . 0 0 "[ . 1]" 1
57 1 9 LYS H 1 38 THR HA 4.400 . 4.400 4.277 4.157 4.378 . 0 0 "[ . 1]" 1
58 1 9 LYS H 1 38 THR HG1 3.680 . 3.680 3.115 2.804 3.384 . 0 0 "[ . 1]" 1
59 1 9 LYS H 1 39 ILE H 3.560 . 3.560 2.904 2.801 3.003 . 0 0 "[ . 1]" 1
60 1 9 LYS H 1 39 ILE HB 4.140 . 4.140 4.108 3.950 4.258 0.118 4 0 "[ . 1]" 1
61 1 9 LYS H 1 39 ILE MD 4.360 . 4.360 4.166 4.013 4.338 . 0 0 "[ . 1]" 1
62 1 9 LYS H 1 40 VAL HA 4.290 . 4.290 4.253 4.170 4.351 0.061 3 0 "[ . 1]" 1
63 1 9 LYS H 1 40 VAL QG 4.610 . 4.610 4.152 3.945 5.021 0.411 4 0 "[ . 1]" 1
64 1 9 LYS HA 1 10 SER H 2.900 . 2.900 2.347 2.309 2.369 . 0 0 "[ . 1]" 1
65 1 9 LYS QB 1 39 ILE H 4.570 . 4.570 4.266 4.119 4.457 . 0 0 "[ . 1]" 1
66 1 9 LYS QD 1 10 SER H 4.770 . 4.770 4.035 3.204 4.839 0.069 3 0 "[ . 1]" 1
67 1 9 LYS QE 1 10 SER H 5.780 . 5.780 5.073 3.692 6.014 0.234 10 0 "[ . 1]" 1
68 1 9 LYS QG 1 10 SER H 3.700 . 3.700 3.650 1.849 4.168 0.468 1 0 "[ . 1]" 1
69 1 10 SER H 1 10 SER QB 3.080 . 3.080 2.665 2.386 2.997 . 0 0 "[ . 1]" 1
70 1 10 SER H 1 11 VAL H 4.410 . 4.410 4.428 4.354 4.470 0.060 3 0 "[ . 1]" 1
71 1 10 SER H 1 11 VAL QG 5.800 . 5.800 4.006 3.757 4.108 . 0 0 "[ . 1]" 1
72 1 10 SER H 1 36 HIS QB 6.560 . 6.560 6.606 6.421 6.696 0.136 7 0 "[ . 1]" 1
73 1 10 SER H 1 38 THR HA 5.250 . 5.250 5.070 4.816 5.364 0.114 9 0 "[ . 1]" 1
74 1 10 SER H 1 39 ILE MD 4.790 . 4.790 4.832 4.446 4.972 0.182 5 0 "[ . 1]" 1
75 1 10 SER HA 1 11 VAL H 2.990 . 2.990 2.172 2.142 2.216 . 0 0 "[ . 1]" 1
76 1 10 SER HA 1 11 VAL QG 4.820 . 4.820 3.139 3.089 3.170 . 0 0 "[ . 1]" 1
77 1 10 SER HA 1 37 VAL H 4.530 . 4.530 4.406 4.173 4.544 0.014 8 0 "[ . 1]" 1
78 1 10 SER HA 1 37 VAL QG . . 5.020 4.385 4.191 4.530 . 0 0 "[ . 1]" 1
79 1 10 SER HA 1 38 THR H 5.470 . 5.470 5.213 5.042 5.445 . 0 0 "[ . 1]" 1
80 1 10 SER HA 1 38 THR HA 3.500 . 3.500 2.880 2.691 3.127 . 0 0 "[ . 1]" 1
81 1 10 SER HA 1 39 ILE H 3.950 . 3.950 3.683 3.507 3.905 . 0 0 "[ . 1]" 1
82 1 10 SER HA 1 39 ILE MD 4.390 . 4.390 4.466 4.380 4.547 0.157 1 0 "[ . 1]" 1
83 1 10 SER QB 1 11 VAL H 3.860 . 3.860 3.232 2.990 3.686 . 0 0 "[ . 1]" 1
84 1 10 SER QB 1 37 VAL H 4.860 . 4.860 4.528 4.070 4.949 0.089 1 0 "[ . 1]" 1
85 1 10 SER QB 1 37 VAL QG 4.950 . 4.950 4.992 4.745 5.198 0.248 1 0 "[ . 1]" 1
86 1 10 SER QB 1 39 ILE H 5.290 . 5.290 5.151 4.749 5.608 0.318 3 0 "[ . 1]" 1
87 1 11 VAL H 1 12 PRO HA 5.370 . 5.370 4.835 4.599 5.049 . 0 0 "[ . 1]" 1
88 1 11 VAL H 1 12 PRO QD 5.360 . 5.360 4.068 3.630 4.464 . 0 0 "[ . 1]" 1
89 1 11 VAL H 1 36 HIS QB 4.660 . 4.660 4.276 3.893 4.489 . 0 0 "[ . 1]" 1
90 1 11 VAL H 1 37 VAL H 3.670 . 3.670 3.409 3.208 3.614 . 0 0 "[ . 1]" 1
91 1 11 VAL H 1 37 VAL QG 4.420 . 4.420 3.604 3.351 3.807 . 0 0 "[ . 1]" 1
92 1 11 VAL H 1 38 THR HA 4.290 . 4.290 4.333 4.232 4.385 0.095 10 0 "[ . 1]" 1
93 1 11 VAL H 1 39 ILE MD 4.260 . 4.260 4.274 4.150 4.374 0.114 7 0 "[ . 1]" 1
94 1 11 VAL HA 1 12 PRO QD . . 3.020 2.162 2.134 2.186 . 0 0 "[ . 1]" 1
95 1 11 VAL HB 1 12 PRO QD 4.000 . 4.000 3.342 2.470 4.045 0.045 9 0 "[ . 1]" 1
96 1 11 VAL HB 1 51 SER H 4.580 . 4.580 4.468 4.194 4.656 0.076 1 0 "[ . 1]" 1
97 1 11 VAL HB 1 51 SER QB 5.070 . 5.070 4.391 4.033 4.856 . 0 0 "[ . 1]" 1
98 1 11 VAL HB 1 52 ILE H 4.810 . 4.810 3.935 3.282 4.438 . 0 0 "[ . 1]" 1
99 1 11 VAL QG 1 12 PRO QD 3.550 . 3.550 3.307 3.005 3.524 . 0 0 "[ . 1]" 1
100 1 12 PRO HA 1 13 VAL H 3.140 . 3.140 2.224 2.203 2.258 . 0 0 "[ . 1]" 1
101 1 12 PRO HA 1 36 HIS HA 4.040 . 4.040 3.083 2.427 3.733 . 0 0 "[ . 1]" 1
102 1 12 PRO QB 1 13 VAL H . . 3.810 3.095 3.030 3.145 . 0 0 "[ . 1]" 1
103 1 12 PRO QB 1 51 SER HA 4.880 . 4.880 4.896 4.651 5.057 0.177 7 0 "[ . 1]" 1
104 1 12 PRO QB 1 51 SER QB . . 4.090 4.109 3.821 4.219 0.129 5 0 "[ . 1]" 1
105 1 12 PRO QD 1 51 SER HA . . 3.640 3.533 3.081 3.809 0.169 3 0 "[ . 1]" 1
106 1 12 PRO QG 1 13 VAL H 4.970 . 4.970 4.543 4.456 4.635 . 0 0 "[ . 1]" 1
107 1 13 VAL H 1 13 VAL HB 3.480 . 3.480 2.844 2.573 3.680 0.200 7 0 "[ . 1]" 1
108 1 13 VAL H 1 13 VAL QG 3.390 . 3.390 2.121 1.823 2.412 . 0 0 "[ . 1]" 1
109 1 13 VAL H 1 14 LYS H 5.020 . 5.020 4.524 4.487 4.550 . 0 0 "[ . 1]" 1
110 1 13 VAL H 1 35 GLY QA 4.410 . 4.410 3.878 3.405 4.421 0.011 5 0 "[ . 1]" 1
111 1 13 VAL H 1 36 HIS HA 3.790 . 3.790 3.562 3.125 3.906 0.116 7 0 "[ . 1]" 1
112 1 13 VAL H 1 36 HIS QB . . 5.160 4.582 3.841 5.326 0.166 1 0 "[ . 1]" 1
113 1 13 VAL H 1 37 VAL H 5.380 . 5.380 5.218 4.901 5.474 0.094 10 0 "[ . 1]" 1
114 1 13 VAL H 1 52 ILE H 5.760 . 5.760 5.127 4.795 5.408 . 0 0 "[ . 1]" 1
115 1 13 VAL H 1 52 ILE MG 6.290 . 6.290 6.235 6.072 6.353 0.063 7 0 "[ . 1]" 1
116 1 13 VAL HA 1 13 VAL QG 3.110 . 3.110 2.198 2.110 2.368 . 0 0 "[ . 1]" 1
117 1 13 VAL HA 1 14 LYS H 3.020 . 3.020 2.194 2.177 2.232 . 0 0 "[ . 1]" 1
118 1 13 VAL HA 1 52 ILE H 4.370 . 4.370 2.838 2.352 3.258 . 0 0 "[ . 1]" 1
119 1 13 VAL HA 1 52 ILE HB 3.980 . 3.980 2.708 2.498 2.861 . 0 0 "[ . 1]" 1
120 1 13 VAL HB 1 14 LYS H 4.140 . 4.140 3.898 2.965 4.262 0.122 5 0 "[ . 1]" 1
121 1 13 VAL HB 1 35 GLY QA 4.940 . 4.940 3.656 2.916 4.892 . 0 0 "[ . 1]" 1
122 1 13 VAL QG 1 14 LYS H 3.390 . 3.390 2.722 2.348 3.460 0.070 1 0 "[ . 1]" 1
123 1 13 VAL QG 1 15 LEU H . . 4.800 4.311 4.017 4.619 . 0 0 "[ . 1]" 1
124 1 13 VAL QG 1 36 HIS H 4.240 . 4.240 3.930 3.579 4.383 0.143 3 0 "[ . 1]" 1
125 1 13 VAL QG 1 36 HIS HA 3.980 . 3.980 2.939 2.395 3.948 . 0 0 "[ . 1]" 1
126 1 13 VAL QG 1 52 ILE H 4.610 . 4.610 3.755 3.428 4.082 . 0 0 "[ . 1]" 1
127 1 13 VAL QG 1 52 ILE HB 3.310 . 3.310 2.419 2.210 2.683 . 0 0 "[ . 1]" 1
128 1 13 VAL QG 1 53 THR H 4.240 . 4.240 4.120 3.746 4.754 0.514 7 1 "[ . + 1]" 1
129 1 13 VAL QG 1 54 VAL H 4.840 . 4.840 4.177 3.703 5.025 0.185 7 0 "[ . 1]" 1
130 1 14 LYS H 1 14 LYS QB 3.680 . 3.680 2.506 2.322 2.596 . 0 0 "[ . 1]" 1
131 1 14 LYS H 1 15 LEU H 4.500 . 4.500 4.375 4.239 4.456 . 0 0 "[ . 1]" 1
132 1 14 LYS H 1 52 ILE H 4.070 . 4.070 3.641 3.276 3.802 . 0 0 "[ . 1]" 1
133 1 14 LYS H 1 52 ILE HB 4.390 . 4.390 3.871 3.572 4.056 . 0 0 "[ . 1]" 1
134 1 14 LYS H 1 52 ILE MG 4.360 . 4.360 4.441 4.316 4.514 0.154 10 0 "[ . 1]" 1
135 1 14 LYS H 1 53 THR HA 3.820 . 3.820 3.375 3.028 3.666 . 0 0 "[ . 1]" 1
136 1 14 LYS H 1 53 THR HG1 5.170 . 5.170 4.607 4.064 5.172 0.002 6 0 "[ . 1]" 1
137 1 14 LYS H 1 54 VAL H 4.280 . 4.280 4.134 3.649 4.339 0.059 2 0 "[ . 1]" 1
138 1 14 LYS QB 1 15 LEU H 3.500 . 3.500 3.250 2.790 3.813 0.313 8 0 "[ . 1]" 1
139 1 14 LYS QB 1 53 THR HA 4.200 . 4.200 3.132 2.735 3.513 . 0 0 "[ . 1]" 1
140 1 14 LYS QE 1 51 SER QB 4.870 . 4.870 3.515 2.383 4.968 0.098 8 0 "[ . 1]" 1
141 1 14 LYS QG 1 15 LEU H 4.410 . 4.410 3.791 2.792 4.226 . 0 0 "[ . 1]" 1
142 1 14 LYS QG 1 51 SER QB 5.220 . 5.220 3.462 2.509 5.271 0.051 2 0 "[ . 1]" 1
143 1 15 LEU H 1 15 LEU QB 3.220 . 3.220 2.424 2.257 2.584 . 0 0 "[ . 1]" 1
144 1 15 LEU H 1 15 LEU QD . . 4.070 3.000 2.161 3.877 . 0 0 "[ . 1]" 1
145 1 15 LEU H 1 15 LEU HG 4.980 . 4.980 3.468 2.474 4.519 . 0 0 "[ . 1]" 1
146 1 15 LEU HA 1 15 LEU QD . . 3.180 2.402 2.181 3.081 . 0 0 "[ . 1]" 1
147 1 15 LEU HA 1 16 GLU H 3.060 . 3.060 2.165 2.143 2.197 . 0 0 "[ . 1]" 1
148 1 15 LEU QB 1 16 GLU H 3.790 . 3.790 3.269 3.023 3.771 . 0 0 "[ . 1]" 1
149 1 15 LEU QB 1 54 VAL H 5.140 . 5.140 5.004 4.576 5.178 0.038 8 0 "[ . 1]" 1
150 1 15 LEU QD 1 16 GLU H . . 4.700 3.753 3.197 4.198 . 0 0 "[ . 1]" 1
151 1 15 LEU QD 1 30 TYR H 5.840 . 5.840 5.368 4.634 5.718 . 0 0 "[ . 1]" 1
152 1 15 LEU QD 1 30 TYR QB 3.890 . 3.890 2.814 2.243 3.163 . 0 0 "[ . 1]" 1
153 1 15 LEU QD 1 31 SER H 5.270 . 5.270 4.659 4.448 4.991 . 0 0 "[ . 1]" 1
154 1 15 LEU QD 1 54 VAL H . . 4.040 3.723 3.231 4.260 0.220 7 0 "[ . 1]" 1
155 1 15 LEU QD 1 54 VAL HB 3.730 . 3.730 2.486 2.124 2.859 . 0 0 "[ . 1]" 1
156 1 15 LEU QD 1 56 VAL HB 3.990 . 3.990 3.993 3.145 4.236 0.246 4 0 "[ . 1]" 1
157 1 15 LEU QD 1 56 VAL QG 3.800 . 3.800 2.765 2.102 3.331 . 0 0 "[ . 1]" 1
158 1 15 LEU QD 1 87 LEU QD 3.390 . 3.390 3.027 2.543 3.370 . 0 0 "[ . 1]" 1
159 1 15 LEU HG 1 16 GLU H 5.510 . 5.510 4.233 2.637 5.197 . 0 0 "[ . 1]" 1
160 1 16 GLU H 1 16 GLU QB 3.690 . 3.690 2.506 2.451 2.584 . 0 0 "[ . 1]" 1
161 1 16 GLU H 1 17 LEU H 4.490 . 4.490 4.172 4.104 4.243 . 0 0 "[ . 1]" 1
162 1 16 GLU H 1 53 THR HG1 3.960 . 3.960 3.882 3.675 4.018 0.058 10 0 "[ . 1]" 1
163 1 16 GLU H 1 54 VAL H 3.730 . 3.730 3.691 3.467 3.755 0.025 7 0 "[ . 1]" 1
164 1 16 GLU H 1 54 VAL HB 4.590 . 4.590 4.579 4.279 4.750 0.160 4 0 "[ . 1]" 1
165 1 16 GLU H 1 55 PRO HA 3.750 . 3.750 2.658 2.398 3.060 . 0 0 "[ . 1]" 1
166 1 16 GLU H 1 55 PRO QB 4.800 . 4.800 4.088 3.639 4.778 . 0 0 "[ . 1]" 1
167 1 16 GLU H 1 55 PRO QD 5.120 . 5.120 4.797 4.591 5.208 0.088 2 0 "[ . 1]" 1
168 1 16 GLU H 1 56 VAL H 4.080 . 4.080 4.025 3.877 4.275 0.195 9 0 "[ . 1]" 1
169 1 16 GLU H 1 56 VAL QG 4.630 . 4.630 4.153 3.721 4.388 . 0 0 "[ . 1]" 1
170 1 16 GLU HA 1 17 LEU H 2.890 . 2.890 2.157 2.119 2.186 . 0 0 "[ . 1]" 1
171 1 16 GLU HA 1 17 LEU QD 5.720 . 5.720 3.944 3.231 4.140 . 0 0 "[ . 1]" 1
172 1 17 LEU H 1 17 LEU QB . . 3.070 2.491 2.225 2.542 . 0 0 "[ . 1]" 1
173 1 17 LEU H 1 17 LEU QD . . 3.450 2.681 2.003 2.887 . 0 0 "[ . 1]" 1
174 1 17 LEU H 1 18 THR H 4.980 . 4.980 4.533 4.504 4.559 . 0 0 "[ . 1]" 1
175 1 17 LEU H 1 55 PRO HA 5.740 . 5.740 5.328 5.136 5.449 . 0 0 "[ . 1]" 1
176 1 17 LEU HA 1 17 LEU QD . . 3.150 2.725 2.189 3.475 0.325 8 0 "[ . 1]" 1
177 1 17 LEU HA 1 18 THR H 3.050 . 3.050 2.153 2.101 2.173 . 0 0 "[ . 1]" 1
178 1 17 LEU HA 1 19 GLY H 5.180 . 5.180 5.111 5.014 5.317 0.137 6 0 "[ . 1]" 1
179 1 17 LEU HA 1 56 VAL H 4.000 . 4.000 3.376 3.224 3.650 . 0 0 "[ . 1]" 1
180 1 17 LEU HA 1 56 VAL QG 5.100 . 5.100 3.841 2.968 4.624 . 0 0 "[ . 1]" 1
181 1 17 LEU QB 1 18 THR H 4.090 . 4.090 3.237 3.171 3.312 . 0 0 "[ . 1]" 1
182 1 17 LEU QD 1 18 THR H . . 3.650 3.786 3.720 4.010 0.360 4 0 "[ . 1]" 1
183 1 17 LEU QD 1 19 GLY H 5.280 . 5.280 4.226 3.825 4.522 . 0 0 "[ . 1]" 1
184 1 18 THR H 1 18 THR HG1 3.530 . 3.530 2.697 1.895 3.507 . 0 0 "[ . 1]" 1
185 1 18 THR H 1 19 GLY H 4.610 . 4.610 4.370 4.327 4.410 . 0 0 "[ . 1]" 1
186 1 18 THR H 1 55 PRO HA 5.060 . 5.060 4.952 4.814 5.087 0.027 4 0 "[ . 1]" 1
187 1 18 THR H 1 56 VAL H 3.790 . 3.790 3.459 3.248 3.699 . 0 0 "[ . 1]" 1
188 1 18 THR HA 1 18 THR HG1 3.310 . 3.310 2.311 2.197 2.356 . 0 0 "[ . 1]" 1
189 1 18 THR HA 1 19 GLY H 3.220 . 3.220 2.150 2.111 2.188 . 0 0 "[ . 1]" 1
190 1 18 THR HB 1 19 GLY H 3.800 . 3.800 3.461 2.885 4.102 0.302 6 0 "[ . 1]" 1
191 1 18 THR HB 1 19 GLY QA 4.550 . 4.550 4.205 3.980 4.452 . 0 0 "[ . 1]" 1
192 1 18 THR HB 1 55 PRO QB 5.110 . 5.110 3.994 3.171 4.582 . 0 0 "[ . 1]" 1
193 1 18 THR HG1 1 19 GLY H 3.710 . 3.710 3.225 2.529 3.753 0.043 4 0 "[ . 1]" 1
194 1 18 THR HG1 1 55 PRO QB 3.810 . 3.810 2.277 1.932 2.797 . 0 0 "[ . 1]" 1
195 1 18 THR HG1 1 56 VAL H 4.230 . 4.230 3.327 2.968 3.835 . 0 0 "[ . 1]" 1
196 1 19 GLY H 1 20 ASP QB 5.970 . 5.970 5.784 5.458 6.054 0.084 8 0 "[ . 1]" 1
197 1 19 GLY QA 1 20 ASP H 3.100 . 3.100 2.247 2.207 2.279 . 0 0 "[ . 1]" 1
198 1 19 GLY QA 1 20 ASP QB 4.670 . 4.670 4.088 3.778 4.179 . 0 0 "[ . 1]" 1
199 1 19 GLY QA 1 21 LYS H 5.810 . 5.810 5.431 5.366 5.602 . 0 0 "[ . 1]" 1
200 1 20 ASP H 1 20 ASP QB . . 2.880 2.509 2.325 2.688 . 0 0 "[ . 1]" 1
201 1 20 ASP H 1 21 LYS H 4.550 . 4.550 4.566 4.472 4.601 0.051 5 0 "[ . 1]" 1
202 1 20 ASP H 1 58 ILE MD 4.760 . 4.760 4.671 4.184 4.799 0.039 5 0 "[ . 1]" 1
203 1 20 ASP H 1 58 ILE QG 6.000 . 6.000 4.283 3.754 4.393 . 0 0 "[ . 1]" 1
204 1 20 ASP H 1 59 SER H 5.110 . 5.110 5.055 4.868 5.245 0.135 10 0 "[ . 1]" 1
205 1 20 ASP H 1 59 SER QB 4.050 . 4.050 3.696 2.925 4.107 0.057 4 0 "[ . 1]" 1
206 1 20 ASP QB 1 21 LYS H . . 3.320 3.167 2.952 3.527 0.207 7 0 "[ . 1]" 1
207 1 21 LYS H 1 21 LYS QB 3.090 . 3.090 2.436 2.389 2.517 . 0 0 "[ . 1]" 1
208 1 21 LYS H 1 21 LYS QE 4.650 . 4.650 4.388 3.684 4.796 0.146 5 0 "[ . 1]" 1
209 1 21 LYS H 1 21 LYS QG 3.380 . 3.380 2.115 1.950 2.178 . 0 0 "[ . 1]" 1
210 1 21 LYS H 1 22 ALA H 4.600 . 4.600 4.605 4.582 4.620 0.020 8 0 "[ . 1]" 1
211 1 21 LYS H 1 58 ILE MD 3.720 . 3.720 3.712 3.526 3.770 0.050 8 0 "[ . 1]" 1
212 1 21 LYS H 1 58 ILE MG 6.610 . 6.610 6.649 6.491 6.696 0.086 2 0 "[ . 1]" 1
213 1 21 LYS HA 1 21 LYS QG 3.900 . 3.900 2.568 2.363 3.347 . 0 0 "[ . 1]" 1
214 1 21 LYS HA 1 22 ALA H 3.260 . 3.260 2.202 2.187 2.221 . 0 0 "[ . 1]" 1
215 1 21 LYS HA 1 25 VAL QG 4.670 . 4.670 3.747 2.853 4.663 . 0 0 "[ . 1]" 1
216 1 21 LYS HA 1 58 ILE MD 3.100 . 3.100 2.725 2.561 2.790 . 0 0 "[ . 1]" 1
217 1 21 LYS QB 1 22 ALA H 4.140 . 4.140 3.060 2.964 3.166 . 0 0 "[ . 1]" 1
218 1 21 LYS QB 1 25 VAL H 5.010 . 5.010 4.993 4.647 5.128 0.118 5 0 "[ . 1]" 1
219 1 21 LYS QE 1 28 ILE H 5.010 . 5.010 4.891 4.403 5.133 0.123 6 0 "[ . 1]" 1
220 1 22 ALA H 1 22 ALA MB 3.230 . 3.230 2.232 2.132 2.267 . 0 0 "[ . 1]" 1
221 1 22 ALA H 1 23 SER H 4.790 . 4.790 4.615 4.568 4.654 . 0 0 "[ . 1]" 1
222 1 22 ALA H 1 25 VAL H 5.080 . 5.080 4.382 4.153 4.748 . 0 0 "[ . 1]" 1
223 1 22 ALA H 1 25 VAL HB 4.740 . 4.740 3.650 2.957 4.396 . 0 0 "[ . 1]" 1
224 1 22 ALA H 1 25 VAL QG 4.180 . 4.180 2.758 1.924 3.591 . 0 0 "[ . 1]" 1
225 1 22 ALA H 1 58 ILE MD 4.160 . 4.160 4.212 3.994 4.359 0.199 6 0 "[ . 1]" 1
226 1 22 ALA HA 1 23 SER H 2.910 . 2.910 2.379 2.210 2.542 . 0 0 "[ . 1]" 1
227 1 22 ALA HA 1 23 SER QB 4.400 . 4.400 4.281 4.111 4.553 0.153 3 0 "[ . 1]" 1
228 1 22 ALA HA 1 24 ASN H 4.360 . 4.360 4.118 3.847 4.315 . 0 0 "[ . 1]" 1
229 1 22 ALA HA 1 25 VAL H 5.140 . 5.140 4.677 4.460 4.828 . 0 0 "[ . 1]" 1
230 1 22 ALA MB 1 23 SER H 3.300 . 3.300 2.449 2.104 2.928 . 0 0 "[ . 1]" 1
231 1 22 ALA MB 1 24 ASN H 3.470 . 3.470 2.515 2.443 2.647 . 0 0 "[ . 1]" 1
232 1 22 ALA MB 1 25 VAL H 3.870 . 3.870 2.721 2.588 3.029 . 0 0 "[ . 1]" 1
233 1 22 ALA MB 1 25 VAL HB 3.840 . 3.840 2.742 2.393 3.132 . 0 0 "[ . 1]" 1
234 1 23 SER H 1 23 SER QB 3.120 . 3.120 2.368 2.264 2.645 . 0 0 "[ . 1]" 1
235 1 23 SER H 1 24 ASN H 3.930 . 3.930 2.501 2.348 2.665 . 0 0 "[ . 1]" 1
236 1 23 SER H 1 25 VAL H 5.180 . 5.180 4.005 3.871 4.144 . 0 0 "[ . 1]" 1
237 1 23 SER HA 1 25 VAL H 4.880 . 4.880 3.945 3.669 4.127 . 0 0 "[ . 1]" 1
238 1 23 SER QB 1 24 ASN H 3.770 . 3.770 3.111 2.804 3.693 . 0 0 "[ . 1]" 1
239 1 24 ASN H 1 24 ASN QB . . 3.200 2.472 2.140 2.739 . 0 0 "[ . 1]" 1
240 1 24 ASN H 1 24 ASN HD21 5.180 . 5.180 4.271 4.112 4.449 . 0 0 "[ . 1]" 1
241 1 24 ASN H 1 24 ASN QD 4.540 . 4.540 3.904 3.608 4.161 . 0 0 "[ . 1]" 1
242 1 24 ASN H 1 24 ASN HD22 5.180 . 5.180 4.709 3.993 5.552 0.372 3 0 "[ . 1]" 1
243 1 24 ASN H 1 25 VAL H 3.340 . 3.340 2.382 2.312 2.465 . 0 0 "[ . 1]" 1
244 1 24 ASN H 1 25 VAL HB 4.610 . 4.610 4.541 4.410 4.623 0.013 10 0 "[ . 1]" 1
245 1 24 ASN H 1 25 VAL QG 3.890 . 3.890 3.592 3.396 3.685 . 0 0 "[ . 1]" 1
246 1 24 ASN QB 1 25 VAL H 4.910 . 4.910 3.492 3.001 3.908 . 0 0 "[ . 1]" 1
247 1 24 ASN QB 1 92 LYS H 5.010 . 5.010 4.697 3.748 5.232 0.222 6 0 "[ . 1]" 1
248 1 24 ASN QD 1 25 VAL QG 4.440 . 4.440 2.975 2.148 4.037 . 0 0 "[ . 1]" 1
249 1 24 ASN QD 1 62 THR HA 4.060 . 4.060 3.150 2.732 3.491 . 0 0 "[ . 1]" 1
250 1 24 ASN QD 1 62 THR HG1 4.330 . 4.330 3.074 1.802 3.798 . 0 0 "[ . 1]" 1
251 1 24 ASN QD 1 91 GLN QB 5.530 . 5.530 4.499 3.880 5.185 . 0 0 "[ . 1]" 1
252 1 24 ASN QD 1 91 GLN HE21 4.800 . 4.800 3.753 2.848 4.680 . 0 0 "[ . 1]" 1
253 1 24 ASN QD 1 91 GLN HE22 4.170 . 4.170 2.782 1.868 4.292 0.122 8 0 "[ . 1]" 1
254 1 24 ASN QD 1 91 GLN QG 5.610 . 5.610 4.394 2.561 5.251 . 0 0 "[ . 1]" 1
255 1 24 ASN HD21 1 62 THR HA 4.630 . 4.630 3.988 3.460 4.459 . 0 0 "[ . 1]" 1
256 1 24 ASN HD21 1 91 GLN HE22 4.900 . 4.900 3.249 2.709 4.705 . 0 0 "[ . 1]" 1
257 1 24 ASN HD22 1 62 THR HA 4.630 . 4.630 3.653 2.789 4.635 0.005 6 0 "[ . 1]" 1
258 1 24 ASN HD22 1 91 GLN HE22 4.900 . 4.900 3.274 1.904 4.953 0.053 8 0 "[ . 1]" 1
259 1 25 VAL H 1 25 VAL HB 2.960 . 2.960 2.652 2.533 2.818 . 0 0 "[ . 1]" 1
260 1 25 VAL H 1 26 SER H 4.730 . 4.730 4.439 4.351 4.499 . 0 0 "[ . 1]" 1
261 1 25 VAL HA 1 26 SER H 3.280 . 3.280 2.147 2.126 2.166 . 0 0 "[ . 1]" 1
262 1 25 VAL HA 1 27 SER H 4.010 . 4.010 3.823 3.658 3.980 . 0 0 "[ . 1]" 1
263 1 25 VAL HA 1 91 GLN HE21 4.930 . 4.930 4.913 4.396 5.095 0.165 7 0 "[ . 1]" 1
264 1 25 VAL HB 1 26 SER H 5.080 . 5.080 4.274 4.186 4.347 . 0 0 "[ . 1]" 1
265 1 25 VAL HB 1 27 SER H 5.730 . 5.730 4.954 4.630 5.230 . 0 0 "[ . 1]" 1
266 1 25 VAL HB 1 91 GLN HE22 6.000 . 6.000 5.554 4.604 6.075 0.075 1 0 "[ . 1]" 1
267 1 25 VAL QG 1 26 SER H 3.650 . 3.650 2.714 2.652 2.754 . 0 0 "[ . 1]" 1
268 1 25 VAL QG 1 26 SER QB 4.590 . 4.590 3.957 3.862 4.055 . 0 0 "[ . 1]" 1
269 1 25 VAL QG 1 27 SER H 3.400 . 3.400 2.430 2.327 2.534 . 0 0 "[ . 1]" 1
270 1 25 VAL QG 1 91 GLN HE21 5.360 . 5.360 4.025 3.492 4.844 . 0 0 "[ . 1]" 1
271 1 25 VAL QG 1 91 GLN HE22 5.920 . 5.920 3.698 2.846 4.913 . 0 0 "[ . 1]" 1
272 1 26 SER H 1 26 SER QB 3.430 . 3.430 2.282 2.190 2.356 . 0 0 "[ . 1]" 1
273 1 26 SER H 1 27 SER H 3.030 . 3.030 2.286 2.040 2.517 . 0 0 "[ . 1]" 1
274 1 26 SER H 1 28 ILE MD 6.360 . 6.360 6.313 6.102 6.538 0.178 6 0 "[ . 1]" 1
275 1 26 SER H 1 28 ILE QG 5.740 . 5.740 5.249 5.023 5.424 . 0 0 "[ . 1]" 1
276 1 26 SER H 1 90 THR H 4.740 . 4.740 4.296 3.956 4.526 . 0 0 "[ . 1]" 1
277 1 26 SER H 1 91 GLN HA 3.930 . 3.930 3.848 3.445 3.996 0.066 5 0 "[ . 1]" 1
278 1 26 SER H 1 92 LYS H 3.830 . 3.830 3.681 3.388 4.038 0.208 8 0 "[ . 1]" 1
279 1 26 SER HA 1 90 THR HG1 5.210 . 5.210 5.010 4.336 5.256 0.046 8 0 "[ . 1]" 1
280 1 26 SER QB 1 27 SER H 3.250 . 3.250 2.636 2.458 2.844 . 0 0 "[ . 1]" 1
281 1 26 SER QB 1 90 THR HB 3.190 . 3.190 3.079 2.794 3.269 0.079 8 0 "[ . 1]" 1
282 1 26 SER QB 1 90 THR HG1 3.310 . 3.310 2.590 2.314 2.858 . 0 0 "[ . 1]" 1
283 1 26 SER QB 1 92 LYS H 4.050 . 4.050 3.960 3.581 4.245 0.195 5 0 "[ . 1]" 1
284 1 27 SER H 1 27 SER QB 3.740 . 3.740 2.929 2.763 3.226 . 0 0 "[ . 1]" 1
285 1 27 SER H 1 28 ILE H 4.350 . 4.350 4.352 4.322 4.370 0.020 4 0 "[ . 1]" 1
286 1 27 SER H 1 28 ILE QG 4.600 . 4.600 4.007 3.879 4.092 . 0 0 "[ . 1]" 1
287 1 27 SER H 1 90 THR H 3.800 . 3.800 3.525 3.366 3.653 . 0 0 "[ . 1]" 1
288 1 27 SER H 1 90 THR HB 3.580 . 3.580 2.333 2.017 3.674 0.094 5 0 "[ . 1]" 1
289 1 27 SER H 1 90 THR HG1 4.000 . 4.000 3.126 1.854 3.406 . 0 0 "[ . 1]" 1
290 1 27 SER HA 1 28 ILE H 2.850 . 2.850 2.336 2.299 2.385 . 0 0 "[ . 1]" 1
291 1 27 SER QB 1 28 ILE H 3.310 . 3.310 3.104 2.538 3.436 0.126 3 0 "[ . 1]" 1
292 1 28 ILE H 1 28 ILE HB 3.580 . 3.580 2.722 2.655 2.782 . 0 0 "[ . 1]" 1
293 1 28 ILE H 1 28 ILE MD 4.390 . 4.390 4.023 3.904 4.116 . 0 0 "[ . 1]" 1
294 1 28 ILE H 1 28 ILE QG 3.900 . 3.900 2.868 2.820 2.933 . 0 0 "[ . 1]" 1
295 1 28 ILE H 1 28 ILE MG 3.970 . 3.970 3.922 3.891 3.943 . 0 0 "[ . 1]" 1
296 1 28 ILE H 1 29 SER H 4.450 . 4.450 4.373 4.342 4.401 . 0 0 "[ . 1]" 1
297 1 28 ILE H 1 29 SER HA 5.200 . 5.200 4.959 4.941 4.984 . 0 0 "[ . 1]" 1
298 1 28 ILE H 1 90 THR H 5.320 . 5.320 5.312 5.026 5.420 0.100 6 0 "[ . 1]" 1
299 1 28 ILE HA 1 28 ILE MD 3.870 . 3.870 3.867 3.858 3.879 0.009 5 0 "[ . 1]" 1
300 1 28 ILE HA 1 28 ILE MG 3.110 . 3.110 2.366 2.353 2.386 . 0 0 "[ . 1]" 1
301 1 28 ILE HA 1 29 SER H 3.020 . 3.020 2.170 2.149 2.191 . 0 0 "[ . 1]" 1
302 1 28 ILE HA 1 90 THR H 4.040 . 4.040 3.457 3.152 3.595 . 0 0 "[ . 1]" 1
303 1 28 ILE HB 1 29 SER H 4.640 . 4.640 4.020 3.903 4.124 . 0 0 "[ . 1]" 1
304 1 28 ILE HB 1 30 TYR H 6.540 . 6.540 6.578 6.482 6.671 0.131 5 0 "[ . 1]" 1
305 1 28 ILE MD 1 29 SER H 6.000 . 6.000 4.966 4.857 5.088 . 0 0 "[ . 1]" 1
306 1 28 ILE MD 1 58 ILE H 6.000 . 6.000 5.034 4.922 5.177 . 0 0 "[ . 1]" 1
307 1 28 ILE MD 1 58 ILE HA 4.110 . 4.110 3.789 3.632 4.060 . 0 0 "[ . 1]" 1
308 1 28 ILE MD 1 58 ILE HB 3.450 . 3.450 2.150 2.104 2.231 . 0 0 "[ . 1]" 1
309 1 28 ILE QG 1 29 SER H 5.130 . 5.130 4.074 4.009 4.141 . 0 0 "[ . 1]" 1
310 1 28 ILE MG 1 29 SER H 3.380 . 3.380 2.409 2.247 2.574 . 0 0 "[ . 1]" 1
311 1 28 ILE MG 1 30 TYR H 4.710 . 4.710 4.636 4.575 4.714 0.004 5 0 "[ . 1]" 1
312 1 28 ILE MG 1 88 LYS H 4.280 . 4.280 4.010 3.752 4.295 0.015 6 0 "[ . 1]" 1
313 1 29 SER H 1 30 TYR H 4.440 . 4.440 4.438 4.411 4.458 0.018 10 0 "[ . 1]" 1
314 1 29 SER H 1 88 LYS QB 4.430 . 4.430 3.487 3.368 3.636 . 0 0 "[ . 1]" 1
315 1 29 SER H 1 88 LYS QG 5.380 . 5.380 5.104 4.713 5.310 . 0 0 "[ . 1]" 1
316 1 29 SER H 1 89 VAL HA 4.060 . 4.060 4.046 3.792 4.134 0.074 10 0 "[ . 1]" 1
317 1 29 SER H 1 90 THR H 4.900 . 4.900 4.932 4.747 5.055 0.155 5 0 "[ . 1]" 1
318 1 29 SER HA 1 30 TYR H 2.880 . 2.880 2.305 2.270 2.359 . 0 0 "[ . 1]" 1
319 1 29 SER QB 1 30 TYR H 3.280 . 3.280 2.786 2.470 3.447 0.167 8 0 "[ . 1]" 1
320 1 29 SER QB 1 88 LYS H 5.540 . 5.540 3.912 3.500 4.676 . 0 0 "[ . 1]" 1
321 1 29 SER QB 1 88 LYS QG 4.670 . 4.670 4.298 3.934 4.839 0.169 3 0 "[ . 1]" 1
322 1 30 TYR H 1 31 SER H 4.770 . 4.770 4.388 4.365 4.407 . 0 0 "[ . 1]" 1
323 1 30 TYR H 1 87 LEU QD 4.710 . 4.710 4.686 4.600 4.815 0.105 8 0 "[ . 1]" 1
324 1 30 TYR H 1 88 LYS H 5.290 . 5.290 4.985 4.894 5.038 . 0 0 "[ . 1]" 1
325 1 30 TYR H 1 88 LYS QB 5.810 . 5.810 5.362 5.250 5.473 . 0 0 "[ . 1]" 1
326 1 30 TYR HA 1 31 SER H 3.050 . 3.050 2.273 2.241 2.314 . 0 0 "[ . 1]" 1
327 1 30 TYR HA 1 85 VAL QG 4.710 . 4.710 3.926 3.755 4.057 . 0 0 "[ . 1]" 1
328 1 30 TYR HA 1 86 ASN H 5.350 . 5.350 4.717 4.633 4.863 . 0 0 "[ . 1]" 1
329 1 30 TYR HA 1 87 LEU HA 4.020 . 4.020 2.711 2.583 2.843 . 0 0 "[ . 1]" 1
330 1 30 TYR HA 1 87 LEU QD 3.820 . 3.820 2.826 2.645 3.085 . 0 0 "[ . 1]" 1
331 1 30 TYR HA 1 88 LYS H 4.030 . 4.030 3.330 3.235 3.434 . 0 0 "[ . 1]" 1
332 1 30 TYR QB 1 85 VAL QG . . 3.120 2.708 2.555 2.849 . 0 0 "[ . 1]" 1
333 1 30 TYR QB 1 87 LEU QD 3.180 . 3.180 2.069 2.018 2.102 . 0 0 "[ . 1]" 1
334 1 30 TYR QB 1 88 LYS H 4.520 . 4.520 4.471 4.226 4.589 0.069 6 0 "[ . 1]" 1
335 1 31 SER H 1 85 VAL HA 4.550 . 4.550 4.332 4.223 4.545 . 0 0 "[ . 1]" 1
336 1 31 SER H 1 85 VAL HB 5.790 . 5.790 5.831 5.550 5.921 0.131 4 0 "[ . 1]" 1
337 1 31 SER H 1 85 VAL QG 3.920 . 3.920 3.021 2.856 3.105 . 0 0 "[ . 1]" 1
338 1 31 SER H 1 86 ASN H 3.630 . 3.630 3.119 2.991 3.205 . 0 0 "[ . 1]" 1
339 1 31 SER H 1 87 LEU HA 4.490 . 4.490 4.217 4.016 4.381 . 0 0 "[ . 1]" 1
340 1 31 SER H 1 87 LEU QD 4.810 . 4.810 3.475 3.305 3.723 . 0 0 "[ . 1]" 1
341 1 31 SER H 1 87 LEU HG 6.000 . 6.000 5.501 5.287 5.732 . 0 0 "[ . 1]" 1
342 1 31 SER H 1 88 LYS H 5.350 . 5.350 5.097 4.916 5.239 . 0 0 "[ . 1]" 1
343 1 31 SER HA 1 32 PHE H 3.060 . 3.060 2.357 2.262 2.434 . 0 0 "[ . 1]" 1
344 1 31 SER QB 1 32 PHE H 3.360 . 3.360 2.710 2.270 3.303 . 0 0 "[ . 1]" 1
345 1 31 SER QB 1 86 ASN QB 4.890 . 4.890 3.773 3.061 4.432 . 0 0 "[ . 1]" 1
346 1 31 SER QB 1 86 ASN QD 5.810 . 5.810 3.677 1.869 4.867 . 0 0 "[ . 1]" 1
347 1 32 PHE H 1 32 PHE QB . . 3.220 3.204 3.171 3.229 0.009 6 0 "[ . 1]" 1
348 1 32 PHE HA 1 33 ASP H 3.160 . 3.160 2.224 2.206 2.255 . 0 0 "[ . 1]" 1
349 1 32 PHE HA 1 34 ARG H 4.270 . 4.270 4.056 4.010 4.124 . 0 0 "[ . 1]" 1
350 1 32 PHE HA 1 85 VAL HB 5.860 . 5.860 5.500 4.410 5.970 0.110 1 0 "[ . 1]" 1
351 1 32 PHE HA 1 85 VAL QG 4.590 . 4.590 3.464 3.248 3.693 . 0 0 "[ . 1]" 1
352 1 32 PHE HA 1 86 ASN H 4.100 . 4.100 3.961 3.589 4.165 0.065 3 0 "[ . 1]" 1
353 1 32 PHE HA 1 86 ASN QD 5.710 . 5.710 4.623 3.894 5.225 . 0 0 "[ . 1]" 1
354 1 32 PHE QB 1 33 ASP H . . 3.190 2.866 2.792 2.944 . 0 0 "[ . 1]" 1
355 1 32 PHE QB 1 34 ARG H 3.350 . 3.350 2.759 2.656 2.847 . 0 0 "[ . 1]" 1
356 1 32 PHE QB 1 35 GLY QA 4.420 . 4.420 2.837 2.636 3.859 . 0 0 "[ . 1]" 1
357 1 32 PHE QB 1 83 VAL QG . . 3.990 3.773 3.572 3.962 . 0 0 "[ . 1]" 1
358 1 32 PHE QB 1 86 ASN H 5.570 . 5.570 4.864 4.203 5.186 . 0 0 "[ . 1]" 1
359 1 33 ASP H 1 33 ASP QB 3.300 . 3.300 2.387 2.257 2.587 . 0 0 "[ . 1]" 1
360 1 33 ASP H 1 34 ARG H 3.190 . 3.190 2.541 2.487 2.588 . 0 0 "[ . 1]" 1
361 1 33 ASP H 1 83 VAL HB 5.310 . 5.310 4.671 4.140 4.986 . 0 0 "[ . 1]" 1
362 1 33 ASP H 1 84 LYS QB 4.170 . 4.170 4.104 3.798 4.265 0.095 7 0 "[ . 1]" 1
363 1 33 ASP HA 1 34 ARG H 3.530 . 3.530 3.537 3.525 3.554 0.024 6 0 "[ . 1]" 1
364 1 33 ASP QB 1 34 ARG H 4.820 . 4.820 2.788 2.684 3.465 . 0 0 "[ . 1]" 1
365 1 33 ASP QB 1 34 ARG QG 4.210 . 4.210 2.698 2.450 3.022 . 0 0 "[ . 1]" 1
366 1 33 ASP QB 1 84 LYS H 4.940 . 4.940 4.120 3.921 4.396 . 0 0 "[ . 1]" 1
367 1 33 ASP QB 1 84 LYS QB 4.800 . 4.800 3.848 3.451 4.169 . 0 0 "[ . 1]" 1
368 1 34 ARG H 1 34 ARG QG 3.450 . 3.450 2.816 2.327 3.057 . 0 0 "[ . 1]" 1
369 1 34 ARG H 1 35 GLY H 5.180 . 5.180 2.419 1.821 4.242 . 0 0 "[ . 1]" 1
370 1 34 ARG H 1 83 VAL HB 4.810 . 4.810 4.217 3.720 4.635 . 0 0 "[ . 1]" 1
371 1 34 ARG H 1 83 VAL QG 4.870 . 4.870 4.089 3.619 4.343 . 0 0 "[ . 1]" 1
372 1 34 ARG H 1 84 LYS H 5.320 . 5.320 4.946 4.426 5.342 0.022 3 0 "[ . 1]" 1
373 1 34 ARG H 1 85 VAL QG 6.000 . 6.000 5.676 5.308 6.320 0.320 8 0 "[ . 1]" 1
374 1 34 ARG HA 1 36 HIS H 4.120 . 4.120 4.050 3.706 4.250 0.130 3 0 "[ . 1]" 1
375 1 34 ARG QB 1 34 ARG QD . . 3.260 2.267 2.134 2.337 . 0 0 "[ . 1]" 1
376 1 34 ARG QB 1 36 HIS H . . 4.100 2.614 2.423 3.000 . 0 0 "[ . 1]" 1
377 1 34 ARG QD 1 36 HIS H 5.310 . 5.310 4.473 3.822 4.902 . 0 0 "[ . 1]" 1
378 1 34 ARG QD 1 83 VAL QG 4.380 . 4.380 3.794 2.993 4.602 0.222 4 0 "[ . 1]" 1
379 1 34 ARG QG 1 35 GLY H 5.140 . 5.140 3.794 2.073 4.438 . 0 0 "[ . 1]" 1
380 1 34 ARG QG 1 36 HIS H 4.640 . 4.640 4.264 1.918 4.746 0.106 6 0 "[ . 1]" 1
381 1 35 GLY H 1 36 HIS H 3.590 . 3.590 2.756 2.551 3.275 . 0 0 "[ . 1]" 1
382 1 36 HIS H 1 36 HIS QB . . 3.180 3.013 2.703 3.215 0.035 5 0 "[ . 1]" 1
383 1 36 HIS H 1 37 VAL H 4.320 . 4.320 4.267 4.231 4.307 . 0 0 "[ . 1]" 1
384 1 36 HIS HA 1 37 VAL H 3.170 . 3.170 2.189 2.167 2.206 . 0 0 "[ . 1]" 1
385 1 36 HIS QB 1 37 VAL H 4.000 . 4.000 3.018 2.980 3.058 . 0 0 "[ . 1]" 1
386 1 37 VAL H 1 37 VAL QG . . 3.230 2.046 2.017 2.082 . 0 0 "[ . 1]" 1
387 1 37 VAL H 1 38 THR H 4.810 . 4.810 4.451 4.399 4.471 . 0 0 "[ . 1]" 1
388 1 37 VAL H 1 39 ILE MD 6.460 . 6.460 6.426 6.250 6.541 0.081 4 0 "[ . 1]" 1
389 1 37 VAL H 1 78 VAL QG 5.870 . 5.870 5.147 4.938 5.594 . 0 0 "[ . 1]" 1
390 1 37 VAL HA 1 38 THR H 3.410 . 3.410 2.367 2.315 2.417 . 0 0 "[ . 1]" 1
391 1 37 VAL HA 1 80 PRO QD 5.080 . 5.080 3.750 3.319 3.968 . 0 0 "[ . 1]" 1
392 1 37 VAL HA 1 80 PRO QG . . 5.160 5.099 4.946 5.232 0.072 5 0 "[ . 1]" 1
393 1 37 VAL HA 1 81 SER H 4.950 . 4.950 4.904 4.643 5.010 0.060 3 0 "[ . 1]" 1
394 1 37 VAL HB 1 38 THR H 3.330 . 3.330 2.761 2.434 3.740 0.410 1 0 "[ . 1]" 1
395 1 37 VAL HB 1 79 GLN H 5.430 . 5.430 4.144 3.628 5.468 0.038 1 0 "[ . 1]" 1
396 1 37 VAL QG 1 38 THR H . . 3.320 2.946 1.817 3.255 . 0 0 "[ . 1]" 1
397 1 37 VAL QG 1 39 ILE H 5.200 . 5.200 4.481 4.006 4.661 . 0 0 "[ . 1]" 1
398 1 37 VAL QG 1 80 PRO QD 3.470 . 3.470 3.105 2.504 3.524 0.054 7 0 "[ . 1]" 1
399 1 37 VAL QG 1 80 PRO QG 4.250 . 4.250 3.627 3.348 3.998 . 0 0 "[ . 1]" 1
400 1 38 THR H 1 38 THR HB 3.350 . 3.350 2.552 2.525 2.589 . 0 0 "[ . 1]" 1
401 1 38 THR H 1 38 THR HG1 4.030 . 4.030 2.430 2.287 2.737 . 0 0 "[ . 1]" 1
402 1 38 THR H 1 78 VAL QG 4.810 . 4.810 4.264 3.799 4.856 0.046 8 0 "[ . 1]" 1
403 1 38 THR H 1 79 GLN H 4.050 . 4.050 3.940 3.705 4.049 . 0 0 "[ . 1]" 1
404 1 38 THR H 1 80 PRO QD 4.430 . 4.430 3.630 3.467 3.835 . 0 0 "[ . 1]" 1
405 1 38 THR HA 1 39 ILE H 3.240 . 3.240 2.179 2.162 2.196 . 0 0 "[ . 1]" 1
406 1 38 THR HB 1 39 ILE H 4.540 . 4.540 4.084 3.983 4.126 . 0 0 "[ . 1]" 1
407 1 38 THR HB 1 79 GLN H 4.370 . 4.370 4.335 4.129 4.471 0.101 3 0 "[ . 1]" 1
408 1 38 THR HG1 1 39 ILE H 3.370 . 3.370 2.577 2.455 2.641 . 0 0 "[ . 1]" 1
409 1 38 THR HG1 1 79 GLN H 4.720 . 4.720 4.738 4.648 4.801 0.081 9 0 "[ . 1]" 1
410 1 39 ILE H 1 39 ILE HB 3.730 . 3.730 3.738 3.674 3.761 0.031 10 0 "[ . 1]" 1
411 1 39 ILE H 1 39 ILE MD 3.730 . 3.730 3.759 3.694 3.797 0.067 10 0 "[ . 1]" 1
412 1 39 ILE H 1 40 VAL H 4.930 . 4.930 4.470 4.415 4.496 . 0 0 "[ . 1]" 1
413 1 39 ILE H 1 78 VAL HA 5.110 . 5.110 5.193 5.037 5.266 0.156 8 0 "[ . 1]" 1
414 1 39 ILE HA 1 39 ILE MD 4.350 . 4.350 4.183 4.173 4.197 . 0 0 "[ . 1]" 1
415 1 39 ILE HA 1 39 ILE MG 3.500 . 3.500 2.326 2.289 2.342 . 0 0 "[ . 1]" 1
416 1 39 ILE HA 1 40 VAL H 3.240 . 3.240 2.218 2.148 2.258 . 0 0 "[ . 1]" 1
417 1 39 ILE HA 1 40 VAL HB 4.910 . 4.910 4.486 4.163 4.558 . 0 0 "[ . 1]" 1
418 1 39 ILE HA 1 76 VAL HB 4.980 . 4.980 4.168 3.554 4.494 . 0 0 "[ . 1]" 1
419 1 39 ILE HA 1 76 VAL QG 4.930 . 4.930 4.040 3.631 4.339 . 0 0 "[ . 1]" 1
420 1 39 ILE HA 1 77 THR H 4.570 . 4.570 4.417 4.143 4.575 0.005 2 0 "[ . 1]" 1
421 1 39 ILE HA 1 78 VAL HA 3.940 . 3.940 2.679 2.476 2.922 . 0 0 "[ . 1]" 1
422 1 39 ILE HA 1 78 VAL QG 4.100 . 4.100 3.438 3.286 3.651 . 0 0 "[ . 1]" 1
423 1 39 ILE HA 1 79 GLN H 4.260 . 4.260 3.790 3.614 4.209 . 0 0 "[ . 1]" 1
424 1 39 ILE HB 1 40 VAL H 3.890 . 3.890 2.927 2.829 3.240 . 0 0 "[ . 1]" 1
425 1 39 ILE HB 1 76 VAL HB 4.180 . 4.180 2.677 2.410 2.989 . 0 0 "[ . 1]" 1
426 1 39 ILE HB 1 76 VAL QG 3.760 . 3.760 2.668 2.369 2.864 . 0 0 "[ . 1]" 1
427 1 39 ILE HB 1 77 THR H 4.490 . 4.490 4.351 4.127 4.567 0.077 4 0 "[ . 1]" 1
428 1 39 ILE MD 1 46 MET QG 4.180 . 4.180 2.470 2.187 3.901 . 0 0 "[ . 1]" 1
429 1 39 ILE QG 1 40 VAL H 4.950 . 4.950 3.970 3.859 4.283 . 0 0 "[ . 1]" 1
430 1 39 ILE MG 1 77 THR H 5.050 . 5.050 5.036 4.718 5.216 0.166 4 0 "[ . 1]" 1
431 1 40 VAL H 1 40 VAL HB 3.670 . 3.670 2.739 2.668 2.954 . 0 0 "[ . 1]" 1
432 1 40 VAL H 1 40 VAL QG 3.420 . 3.420 2.660 2.185 2.745 . 0 0 "[ . 1]" 1
433 1 40 VAL H 1 76 VAL HA 4.630 . 4.630 4.437 4.251 4.643 0.013 2 0 "[ . 1]" 1
434 1 40 VAL H 1 76 VAL HB 4.280 . 4.280 3.056 2.846 3.343 . 0 0 "[ . 1]" 1
435 1 40 VAL H 1 76 VAL QG 4.500 . 4.500 3.745 3.577 3.953 . 0 0 "[ . 1]" 1
436 1 40 VAL H 1 77 THR H 3.720 . 3.720 2.680 2.522 2.813 . 0 0 "[ . 1]" 1
437 1 40 VAL H 1 77 THR HB 4.860 . 4.860 3.513 3.247 4.038 . 0 0 "[ . 1]" 1
438 1 40 VAL H 1 77 THR HG1 5.020 . 5.020 4.247 3.951 4.516 . 0 0 "[ . 1]" 1
439 1 40 VAL H 1 78 VAL HA 4.200 . 4.200 3.971 3.671 4.136 . 0 0 "[ . 1]" 1
440 1 40 VAL H 1 79 GLN H 5.230 . 5.230 5.259 5.203 5.396 0.166 8 0 "[ . 1]" 1
441 1 40 VAL HA 1 41 GLY H 2.930 . 2.930 2.162 2.140 2.178 . 0 0 "[ . 1]" 1
442 1 40 VAL HA 1 77 THR H 5.150 . 5.150 4.673 4.482 4.969 . 0 0 "[ . 1]" 1
443 1 40 VAL HB 1 77 THR HB 3.640 . 3.640 2.804 2.455 4.277 0.637 4 1 "[ +. 1]" 1
444 1 40 VAL HB 1 79 GLN HE21 5.210 . 5.210 4.022 3.374 4.782 . 0 0 "[ . 1]" 1
445 1 40 VAL HB 1 79 GLN QE 4.400 . 4.400 3.825 3.260 4.409 0.009 1 0 "[ . 1]" 1
446 1 40 VAL HB 1 79 GLN HE22 5.210 . 5.210 4.850 4.316 5.195 . 0 0 "[ . 1]" 1
447 1 40 VAL QG 1 41 GLY H 3.370 . 3.370 2.565 2.536 2.602 . 0 0 "[ . 1]" 1
448 1 40 VAL QG 1 42 SER H 5.790 . 5.790 5.406 5.193 5.499 . 0 0 "[ . 1]" 1
449 1 40 VAL QG 1 77 THR H 5.520 . 5.520 3.792 2.151 4.144 . 0 0 "[ . 1]" 1
450 1 40 VAL QG 1 77 THR HB 3.970 . 3.970 3.365 2.041 3.633 . 0 0 "[ . 1]" 1
451 1 40 VAL QG 1 79 GLN QE 4.090 . 4.090 3.109 2.515 3.826 . 0 0 "[ . 1]" 1
452 1 41 GLY H 1 42 SER H 4.340 . 4.340 4.342 4.324 4.356 0.016 2 0 "[ . 1]" 1
453 1 41 GLY H 1 46 MET QG 4.320 . 4.320 4.157 3.847 4.371 0.051 7 0 "[ . 1]" 1
454 1 41 GLY H 1 76 VAL QG 4.260 . 4.260 4.176 3.902 4.373 0.113 5 0 "[ . 1]" 1
455 1 41 GLY QA 1 42 SER H 2.890 . 2.890 2.224 2.203 2.248 . 0 0 "[ . 1]" 1
456 1 41 GLY QA 1 46 MET QG 5.100 . 5.100 3.879 3.344 4.300 . 0 0 "[ . 1]" 1
457 1 41 GLY QA 1 76 VAL HA 4.080 . 4.080 2.691 2.475 3.178 . 0 0 "[ . 1]" 1
458 1 41 GLY QA 1 76 VAL QG 3.820 . 3.820 2.361 2.320 2.391 . 0 0 "[ . 1]" 1
459 1 41 GLY QA 1 77 THR H 4.230 . 4.230 3.740 3.539 4.219 . 0 0 "[ . 1]" 1
460 1 42 SER H 1 42 SER QB 3.070 . 3.070 2.375 2.259 2.500 . 0 0 "[ . 1]" 1
461 1 42 SER H 1 43 GLN H 4.700 . 4.700 4.635 4.610 4.643 . 0 0 "[ . 1]" 1
462 1 42 SER H 1 45 ALA H 4.800 . 4.800 4.307 4.065 4.455 . 0 0 "[ . 1]" 1
463 1 42 SER H 1 45 ALA MB 3.540 . 3.540 3.105 2.708 3.355 . 0 0 "[ . 1]" 1
464 1 42 SER H 1 46 MET QG 4.690 . 4.690 4.359 3.857 4.666 . 0 0 "[ . 1]" 1
465 1 42 SER H 1 76 VAL HA 4.930 . 4.930 4.457 4.228 5.011 0.081 4 0 "[ . 1]" 1
466 1 42 SER H 1 76 VAL HB 5.510 . 5.510 5.586 5.478 5.668 0.158 1 0 "[ . 1]" 1
467 1 42 SER H 1 76 VAL QG 3.440 . 3.440 3.392 3.319 3.461 0.021 4 0 "[ . 1]" 1
468 1 42 SER HA 1 43 GLN H 3.300 . 3.300 2.296 2.259 2.372 . 0 0 "[ . 1]" 1
469 1 42 SER HA 1 44 GLU H 4.630 . 4.630 4.169 4.017 4.357 . 0 0 "[ . 1]" 1
470 1 42 SER HA 1 45 ALA H 5.250 . 5.250 4.749 4.633 4.911 . 0 0 "[ . 1]" 1
471 1 42 SER QB 1 43 GLN H . . 3.410 3.033 2.534 3.542 0.132 2 0 "[ . 1]" 1
472 1 42 SER QB 1 44 GLU H 3.960 . 3.960 3.015 2.591 3.589 . 0 0 "[ . 1]" 1
473 1 42 SER QB 1 45 ALA H 4.200 . 4.200 2.698 2.521 3.391 . 0 0 "[ . 1]" 1
474 1 43 GLN H 1 43 GLN QB 3.470 . 3.470 2.273 2.185 2.455 . 0 0 "[ . 1]" 1
475 1 43 GLN H 1 43 GLN QG 3.940 . 3.940 3.650 2.073 4.072 0.132 2 0 "[ . 1]" 1
476 1 43 GLN H 1 44 GLU H 3.740 . 3.740 2.654 2.607 2.753 . 0 0 "[ . 1]" 1
477 1 43 GLN H 1 45 ALA H 5.130 . 5.130 4.361 4.137 4.556 . 0 0 "[ . 1]" 1
478 1 43 GLN HA 1 43 GLN HE21 5.000 . 5.000 3.399 2.960 3.778 . 0 0 "[ . 1]" 1
479 1 43 GLN HA 1 43 GLN QE 4.340 . 4.340 3.134 2.797 3.401 . 0 0 "[ . 1]" 1
480 1 43 GLN HA 1 43 GLN HE22 5.000 . 5.000 3.704 3.442 4.077 . 0 0 "[ . 1]" 1
481 1 43 GLN HA 1 43 GLN QG 3.780 . 3.780 2.839 2.412 2.926 . 0 0 "[ . 1]" 1
482 1 43 GLN HA 1 46 MET H 4.400 . 4.400 3.443 3.323 3.596 . 0 0 "[ . 1]" 1
483 1 43 GLN HA 1 46 MET QG 4.110 . 4.110 3.396 2.883 3.934 . 0 0 "[ . 1]" 1
484 1 43 GLN QB 1 44 GLU H 2.960 . 2.960 2.691 2.580 2.784 . 0 0 "[ . 1]" 1
485 1 43 GLN QE 1 43 GLN QG 2.960 . 2.960 2.216 2.180 2.417 . 0 0 "[ . 1]" 1
486 1 43 GLN QE 1 46 MET QB 4.290 . 4.290 3.302 2.382 4.335 0.045 4 0 "[ . 1]" 1
487 1 43 GLN QE 1 46 MET QG 5.340 . 5.340 4.557 4.061 5.411 0.071 4 0 "[ . 1]" 1
488 1 43 GLN HE22 1 43 GLN QG 3.540 . 3.540 3.297 3.267 3.390 . 0 0 "[ . 1]" 1
489 1 44 GLU H 1 44 GLU QB . . 3.480 2.437 2.210 2.532 . 0 0 "[ . 1]" 1
490 1 44 GLU H 1 44 GLU QG 3.460 . 3.460 2.436 1.930 3.921 0.461 10 0 "[ . 1]" 1
491 1 44 GLU H 1 45 ALA H 3.360 . 3.360 2.744 2.657 2.858 . 0 0 "[ . 1]" 1
492 1 44 GLU H 1 45 ALA MB 4.770 . 4.770 4.394 4.305 4.487 . 0 0 "[ . 1]" 1
493 1 44 GLU H 1 46 MET H 4.350 . 4.350 4.151 4.059 4.269 . 0 0 "[ . 1]" 1
494 1 44 GLU HA 1 44 GLU QG 3.460 . 3.460 2.480 2.353 3.336 . 0 0 "[ . 1]" 1
495 1 44 GLU HA 1 47 ASP H 3.900 . 3.900 3.534 3.452 3.632 . 0 0 "[ . 1]" 1
496 1 44 GLU HA 1 47 ASP QB . . 3.560 2.815 2.611 2.974 . 0 0 "[ . 1]" 1
497 1 44 GLU QB 1 45 ALA H 3.640 . 3.640 2.577 2.294 3.472 . 0 0 "[ . 1]" 1
498 1 44 GLU QG 1 45 ALA H 4.010 . 4.010 3.859 2.146 4.362 0.352 2 0 "[ . 1]" 1
499 1 45 ALA H 1 45 ALA MB 2.990 . 2.990 2.227 2.210 2.241 . 0 0 "[ . 1]" 1
500 1 45 ALA H 1 46 MET H 3.320 . 3.320 2.648 2.608 2.676 . 0 0 "[ . 1]" 1
501 1 45 ALA H 1 46 MET QG 5.960 . 5.960 4.269 4.132 4.428 . 0 0 "[ . 1]" 1
502 1 45 ALA H 1 48 LYS H 5.250 . 5.250 4.981 4.867 5.083 . 0 0 "[ . 1]" 1
503 1 45 ALA H 1 49 ILE MD 6.010 . 6.010 5.998 5.876 6.108 0.098 10 0 "[ . 1]" 1
504 1 45 ALA H 1 76 VAL QG 4.840 . 4.840 4.451 4.307 4.597 . 0 0 "[ . 1]" 1
505 1 45 ALA HA 1 48 LYS H 4.070 . 4.070 3.594 3.495 3.740 . 0 0 "[ . 1]" 1
506 1 45 ALA MB 1 46 MET H 3.520 . 3.520 2.540 2.449 2.594 . 0 0 "[ . 1]" 1
507 1 45 ALA MB 1 47 ASP H 4.540 . 4.540 4.537 4.465 4.567 0.027 2 0 "[ . 1]" 1
508 1 45 ALA MB 1 75 GLY QA . . 3.590 2.885 2.541 3.423 . 0 0 "[ . 1]" 1
509 1 45 ALA MB 1 76 VAL H 4.880 . 4.880 4.299 4.158 4.619 . 0 0 "[ . 1]" 1
510 1 45 ALA MB 1 76 VAL HA 5.380 . 5.380 4.296 4.197 4.517 . 0 0 "[ . 1]" 1
511 1 45 ALA MB 1 76 VAL QG 3.190 . 3.190 2.096 2.038 2.207 . 0 0 "[ . 1]" 1
512 1 46 MET H 1 46 MET QB . . 3.110 2.389 2.311 2.444 . 0 0 "[ . 1]" 1
513 1 46 MET H 1 46 MET QG 3.500 . 3.500 2.254 2.144 2.353 . 0 0 "[ . 1]" 1
514 1 46 MET H 1 48 LYS H 5.000 . 5.000 4.083 3.956 4.170 . 0 0 "[ . 1]" 1
515 1 46 MET H 1 49 ILE MD 4.710 . 4.710 4.716 4.640 4.776 0.066 7 0 "[ . 1]" 1
516 1 46 MET H 1 76 VAL QG 4.120 . 4.120 3.639 3.335 3.988 . 0 0 "[ . 1]" 1
517 1 46 MET HA 1 48 LYS H 4.660 . 4.660 4.082 3.941 4.203 . 0 0 "[ . 1]" 1
518 1 46 MET HA 1 49 ILE H 4.540 . 4.540 3.345 3.248 3.446 . 0 0 "[ . 1]" 1
519 1 46 MET HA 1 49 ILE HB 4.530 . 4.530 2.921 2.771 3.035 . 0 0 "[ . 1]" 1
520 1 46 MET HA 1 49 ILE MD 3.410 . 3.410 2.999 2.744 3.206 . 0 0 "[ . 1]" 1
521 1 46 MET HA 1 49 ILE MG 4.640 . 4.640 4.417 4.299 4.529 . 0 0 "[ . 1]" 1
522 1 46 MET HA 1 76 VAL QG 3.850 . 3.850 3.228 2.662 3.662 . 0 0 "[ . 1]" 1
523 1 46 MET QB 1 47 ASP H . . 3.310 2.625 2.586 2.717 . 0 0 "[ . 1]" 1
524 1 46 MET QG 1 49 ILE MD 4.040 . 4.040 3.901 3.619 4.280 0.240 2 0 "[ . 1]" 1
525 1 46 MET QG 1 76 VAL QG 3.950 . 3.950 2.600 2.023 3.097 . 0 0 "[ . 1]" 1
526 1 47 ASP H 1 48 LYS H 3.320 . 3.320 2.688 2.607 2.727 . 0 0 "[ . 1]" 1
527 1 47 ASP H 1 49 ILE H 4.420 . 4.420 4.202 4.142 4.271 . 0 0 "[ . 1]" 1
528 1 47 ASP QB 1 48 LYS H 4.480 . 4.480 2.819 2.754 2.930 . 0 0 "[ . 1]" 1
529 1 47 ASP QB 1 49 ILE H 4.960 . 4.960 4.801 4.739 4.858 . 0 0 "[ . 1]" 1
530 1 48 LYS H 1 48 LYS QB . . 2.870 2.302 2.220 2.352 . 0 0 "[ . 1]" 1
531 1 48 LYS H 1 48 LYS QE 4.900 . 4.900 4.482 4.341 5.038 0.138 8 0 "[ . 1]" 1
532 1 48 LYS H 1 49 ILE H 3.110 . 3.110 2.459 2.373 2.512 . 0 0 "[ . 1]" 1
533 1 48 LYS H 1 49 ILE MD 4.990 . 4.990 4.991 4.944 5.019 0.029 4 0 "[ . 1]" 1
534 1 48 LYS H 1 49 ILE QG 3.960 . 3.960 3.954 3.918 3.997 0.037 9 0 "[ . 1]" 1
535 1 49 ILE H 1 49 ILE HB 3.220 . 3.220 2.547 2.514 2.569 . 0 0 "[ . 1]" 1
536 1 49 ILE H 1 49 ILE MD 4.230 . 4.230 3.551 3.522 3.596 . 0 0 "[ . 1]" 1
537 1 49 ILE H 1 49 ILE QG . . 3.430 2.223 2.157 2.299 . 0 0 "[ . 1]" 1
538 1 49 ILE H 1 49 ILE MG 3.800 . 3.800 3.812 3.803 3.820 0.020 10 0 "[ . 1]" 1
539 1 49 ILE H 1 50 ASP H 4.420 . 4.420 4.429 4.394 4.446 0.026 6 0 "[ . 1]" 1
540 1 49 ILE HA 1 49 ILE MD 3.900 . 3.900 3.900 3.886 3.915 0.015 2 0 "[ . 1]" 1
541 1 49 ILE HA 1 49 ILE MG 3.330 . 3.330 2.354 2.339 2.378 . 0 0 "[ . 1]" 1
542 1 49 ILE HA 1 50 ASP H 3.080 . 3.080 2.157 2.146 2.170 . 0 0 "[ . 1]" 1
543 1 49 ILE HA 1 50 ASP QB 4.500 . 4.500 4.301 4.105 4.432 . 0 0 "[ . 1]" 1
544 1 49 ILE HA 1 51 SER H 3.480 . 3.480 3.470 3.401 3.514 0.034 9 0 "[ . 1]" 1
545 1 49 ILE HB 1 50 ASP H 4.690 . 4.690 4.310 4.273 4.328 . 0 0 "[ . 1]" 1
546 1 49 ILE HB 1 51 SER H 5.100 . 5.100 4.969 4.856 5.105 0.005 4 0 "[ . 1]" 1
547 1 49 ILE MD 1 73 ALA HA 5.860 . 5.860 4.396 4.148 4.571 . 0 0 "[ . 1]" 1
548 1 49 ILE MD 1 73 ALA MB 2.710 . 2.710 2.327 2.170 2.452 . 0 0 "[ . 1]" 1
549 1 49 ILE MD 1 74 GLU H 4.590 . 4.590 4.363 3.921 4.564 . 0 0 "[ . 1]" 1
550 1 49 ILE MD 1 74 GLU QB 5.260 . 5.260 5.300 5.190 5.378 0.118 2 0 "[ . 1]" 1
551 1 49 ILE MD 1 76 VAL H 4.280 . 4.280 4.178 3.988 4.358 0.078 4 0 "[ . 1]" 1
552 1 49 ILE QG 1 49 ILE MG 3.260 . 3.260 2.284 2.257 2.303 . 0 0 "[ . 1]" 1
553 1 49 ILE QG 1 50 ASP H . . 4.460 4.336 4.309 4.367 . 0 0 "[ . 1]" 1
554 1 49 ILE MG 1 50 ASP H 3.630 . 3.630 2.974 2.912 3.003 . 0 0 "[ . 1]" 1
555 1 49 ILE MG 1 50 ASP QB 4.850 . 4.850 4.543 4.425 4.647 . 0 0 "[ . 1]" 1
556 1 49 ILE MG 1 51 SER H 3.090 . 3.090 2.749 2.650 2.906 . 0 0 "[ . 1]" 1
557 1 49 ILE MG 1 73 ALA HA 5.650 . 5.650 5.595 5.320 5.725 0.075 1 0 "[ . 1]" 1
558 1 50 ASP H 1 50 ASP QB 3.590 . 3.590 2.451 2.343 2.515 . 0 0 "[ . 1]" 1
559 1 50 ASP H 1 51 SER H 2.870 . 2.870 1.956 1.863 2.072 . 0 0 "[ . 1]" 1
560 1 50 ASP QB 1 51 SER H 3.800 . 3.800 2.948 2.822 3.068 . 0 0 "[ . 1]" 1
561 1 51 SER H 1 51 SER QB 3.700 . 3.700 3.292 3.020 3.366 . 0 0 "[ . 1]" 1
562 1 51 SER H 1 52 ILE H 4.570 . 4.570 4.308 4.087 4.349 . 0 0 "[ . 1]" 1
563 1 51 SER H 1 52 ILE QG 5.060 . 5.060 4.569 4.065 4.943 . 0 0 "[ . 1]" 1
564 1 51 SER HA 1 52 ILE H 3.070 . 3.070 2.390 2.215 2.589 . 0 0 "[ . 1]" 1
565 1 51 SER QB 1 52 ILE H . . 3.340 2.475 2.042 3.145 . 0 0 "[ . 1]" 1
566 1 52 ILE H 1 52 ILE HB 3.560 . 3.560 2.608 2.560 2.678 . 0 0 "[ . 1]" 1
567 1 52 ILE H 1 52 ILE MD 4.330 . 4.330 3.613 3.148 4.024 . 0 0 "[ . 1]" 1
568 1 52 ILE H 1 52 ILE QG . . 4.020 2.570 2.152 2.828 . 0 0 "[ . 1]" 1
569 1 52 ILE H 1 52 ILE MG 3.850 . 3.850 3.858 3.801 3.898 0.048 3 0 "[ . 1]" 1
570 1 52 ILE HA 1 52 ILE MD 3.500 . 3.500 3.021 2.194 3.846 0.346 5 0 "[ . 1]" 1
571 1 52 ILE HA 1 52 ILE MG 3.500 . 3.500 2.347 2.329 2.368 . 0 0 "[ . 1]" 1
572 1 52 ILE HA 1 53 THR H 2.930 . 2.930 2.157 2.136 2.194 . 0 0 "[ . 1]" 1
573 1 52 ILE HA 1 53 THR HA 4.720 . 4.720 4.470 4.428 4.495 . 0 0 "[ . 1]" 1
574 1 52 ILE HA 1 53 THR HB 4.980 . 4.980 4.699 4.654 4.772 . 0 0 "[ . 1]" 1
575 1 52 ILE HB 1 53 THR H 4.680 . 4.680 4.256 4.162 4.291 . 0 0 "[ . 1]" 1
576 1 52 ILE MD 1 72 LYS H 5.100 . 5.100 4.883 4.014 5.148 0.048 6 0 "[ . 1]" 1
577 1 52 ILE QG 1 53 THR H 4.760 . 4.760 4.526 4.172 4.857 0.097 2 0 "[ . 1]" 1
578 1 52 ILE MG 1 53 THR H 3.460 . 3.460 2.870 2.697 2.997 . 0 0 "[ . 1]" 1
579 1 52 ILE MG 1 54 VAL H 4.420 . 4.420 4.443 4.355 4.564 0.144 6 0 "[ . 1]" 1
580 1 52 ILE MG 1 72 LYS H 4.210 . 4.210 4.043 3.863 4.228 0.018 4 0 "[ . 1]" 1
581 1 53 THR H 1 53 THR HB 3.460 . 3.460 2.638 2.529 3.097 . 0 0 "[ . 1]" 1
582 1 53 THR HA 1 54 VAL H 3.050 . 3.050 2.212 2.172 2.243 . 0 0 "[ . 1]" 1
583 1 53 THR HA 1 54 VAL QG 3.890 . 3.890 3.430 3.378 3.486 . 0 0 "[ . 1]" 1
584 1 53 THR HG1 1 54 VAL H 3.460 . 3.460 2.670 2.367 2.854 . 0 0 "[ . 1]" 1
585 1 54 VAL H 1 54 VAL HB 3.770 . 3.770 2.710 2.643 2.755 . 0 0 "[ . 1]" 1
586 1 54 VAL H 1 55 PRO QD 4.340 . 4.340 3.612 3.458 4.137 . 0 0 "[ . 1]" 1
587 1 54 VAL HA 1 55 PRO QD 2.990 . 2.990 2.201 2.162 2.221 . 0 0 "[ . 1]" 1
588 1 54 VAL QG 1 55 PRO QD 3.940 . 3.940 3.129 2.702 3.231 . 0 0 "[ . 1]" 1
589 1 55 PRO HA 1 56 VAL H 3.050 . 3.050 2.222 2.200 2.228 . 0 0 "[ . 1]" 1
590 1 55 PRO HA 1 56 VAL HB 4.720 . 4.720 4.498 4.420 4.575 . 0 0 "[ . 1]" 1
591 1 55 PRO HA 1 56 VAL QG . . 4.290 3.462 3.373 3.564 . 0 0 "[ . 1]" 1
592 1 55 PRO QB 1 56 VAL H 3.990 . 3.990 3.088 3.016 3.165 . 0 0 "[ . 1]" 1
593 1 55 PRO QD 1 56 VAL H 4.990 . 4.990 4.993 4.963 5.013 0.023 4 0 "[ . 1]" 1
594 1 55 PRO QG 1 56 VAL H 4.860 . 4.860 4.475 4.414 4.627 . 0 0 "[ . 1]" 1
595 1 56 VAL H 1 56 VAL HB 3.620 . 3.620 2.922 2.680 3.266 . 0 0 "[ . 1]" 1
596 1 56 VAL H 1 56 VAL QG . . 3.420 2.522 2.158 2.774 . 0 0 "[ . 1]" 1
597 1 56 VAL H 1 57 ASP H 4.620 . 4.620 4.299 4.275 4.335 . 0 0 "[ . 1]" 1
598 1 56 VAL HA 1 56 VAL QG . . 2.980 2.181 2.103 2.297 . 0 0 "[ . 1]" 1
599 1 56 VAL HA 1 57 ASP H 2.860 . 2.860 2.140 2.131 2.158 . 0 0 "[ . 1]" 1
600 1 56 VAL HB 1 57 ASP H 4.630 . 4.630 4.183 4.154 4.234 . 0 0 "[ . 1]" 1
601 1 56 VAL QG 1 57 ASP H . . 3.410 2.591 2.454 2.724 . 0 0 "[ . 1]" 1
602 1 56 VAL QG 1 57 ASP QB 4.510 . 4.510 3.781 3.587 4.188 . 0 0 "[ . 1]" 1
603 1 56 VAL QG 1 58 ILE H 4.300 . 4.300 4.337 4.021 4.521 0.221 8 0 "[ . 1]" 1
604 1 56 VAL QG 1 58 ILE HA 4.100 . 4.100 3.865 3.737 3.952 . 0 0 "[ . 1]" 1
605 1 56 VAL QG 1 58 ILE HB 5.550 . 5.550 5.229 4.773 5.560 0.010 8 0 "[ . 1]" 1
606 1 57 ASP H 1 57 ASP QB . . 2.910 2.407 2.259 2.555 . 0 0 "[ . 1]" 1
607 1 57 ASP H 1 58 ILE H 4.530 . 4.530 4.541 4.516 4.576 0.046 9 0 "[ . 1]" 1
608 1 57 ASP HA 1 58 ILE H 3.170 . 3.170 2.183 2.175 2.196 . 0 0 "[ . 1]" 1
609 1 57 ASP HA 1 58 ILE MD 5.190 . 5.190 5.200 5.177 5.226 0.036 5 0 "[ . 1]" 1
610 1 57 ASP HA 1 59 SER H 4.150 . 4.150 3.513 3.471 3.569 . 0 0 "[ . 1]" 1
611 1 57 ASP QB 1 58 ILE H 4.250 . 4.250 3.376 3.189 3.820 . 0 0 "[ . 1]" 1
612 1 58 ILE H 1 58 ILE MD 3.660 . 3.660 3.684 3.654 3.709 0.049 7 0 "[ . 1]" 1
613 1 58 ILE H 1 58 ILE QG 3.830 . 3.830 1.933 1.894 1.967 . 0 0 "[ . 1]" 1
614 1 58 ILE H 1 58 ILE MG 3.870 . 3.870 2.639 2.570 2.803 . 0 0 "[ . 1]" 1
615 1 58 ILE HA 1 58 ILE MG 3.280 . 3.280 2.323 2.312 2.328 . 0 0 "[ . 1]" 1
616 1 58 ILE HA 1 61 VAL H 3.930 . 3.930 3.178 3.123 3.261 . 0 0 "[ . 1]" 1
617 1 58 ILE HA 1 61 VAL HB 4.750 . 4.750 2.629 2.355 4.623 . 0 0 "[ . 1]" 1
618 1 58 ILE HA 1 61 VAL QG 3.630 . 3.630 2.189 2.082 2.233 . 0 0 "[ . 1]" 1
619 1 58 ILE HB 1 58 ILE MD 3.400 . 3.400 2.338 2.329 2.353 . 0 0 "[ . 1]" 1
620 1 58 ILE HB 1 59 SER H 4.700 . 4.700 4.132 4.088 4.198 . 0 0 "[ . 1]" 1
621 1 58 ILE MD 1 59 SER H 4.460 . 4.460 4.381 4.299 4.536 0.076 6 0 "[ . 1]" 1
622 1 58 ILE QG 1 59 SER H 4.570 . 4.570 2.675 2.582 2.855 . 0 0 "[ . 1]" 1
623 1 58 ILE MG 1 59 SER H 4.430 . 4.430 4.140 4.114 4.233 . 0 0 "[ . 1]" 1
624 1 59 SER H 1 59 SER QB 3.420 . 3.420 2.426 2.245 2.563 . 0 0 "[ . 1]" 1
625 1 59 SER H 1 60 GLN H 3.930 . 3.930 2.727 2.492 2.787 . 0 0 "[ . 1]" 1
626 1 59 SER QB 1 60 GLN QE 4.910 . 4.910 4.264 2.356 4.984 0.074 2 0 "[ . 1]" 1
627 1 60 GLN H 1 60 GLN QG 4.480 . 4.480 3.006 2.280 4.109 . 0 0 "[ . 1]" 1
628 1 60 GLN H 1 61 VAL H 3.390 . 3.390 2.410 2.185 2.459 . 0 0 "[ . 1]" 1
629 1 60 GLN H 1 61 VAL HB 5.400 . 5.400 4.763 4.634 5.654 0.254 6 0 "[ . 1]" 1
630 1 60 GLN H 1 61 VAL QG 4.760 . 4.760 3.304 2.976 3.369 . 0 0 "[ . 1]" 1
631 1 60 GLN HA 1 60 GLN QE 5.390 . 5.390 4.002 2.241 4.912 . 0 0 "[ . 1]" 1
632 1 61 VAL H 1 61 VAL HB 3.280 . 3.280 2.645 2.508 3.690 0.410 6 0 "[ . 1]" 1
633 1 61 VAL H 1 62 THR H 4.480 . 4.480 4.355 4.291 4.469 . 0 0 "[ . 1]" 1
634 1 61 VAL H 1 62 THR HG1 4.540 . 4.540 3.857 3.697 4.707 0.167 5 0 "[ . 1]" 1
635 1 61 VAL HA 1 62 THR H 3.040 . 3.040 2.159 2.146 2.175 . 0 0 "[ . 1]" 1
636 1 61 VAL HA 1 63 GLU H 3.400 . 3.400 3.321 3.279 3.460 0.060 6 0 "[ . 1]" 1
637 1 61 VAL HB 1 62 THR H 4.430 . 4.430 4.248 3.302 4.405 . 0 0 "[ . 1]" 1
638 1 61 VAL QG 1 62 THR H 3.550 . 3.550 3.069 2.864 3.504 . 0 0 "[ . 1]" 1
639 1 61 VAL QG 1 63 GLU H 3.180 . 3.180 2.921 2.631 3.607 0.427 6 0 "[ . 1]" 1
640 1 62 THR H 1 62 THR HG1 3.380 . 3.380 2.418 2.028 2.725 . 0 0 "[ . 1]" 1
641 1 62 THR H 1 63 GLU H 3.280 . 3.280 1.869 1.803 1.921 . 0 0 "[ . 1]" 1
642 1 62 THR H 1 89 VAL QG . . 3.970 3.694 3.520 4.049 0.079 6 0 "[ . 1]" 1
643 1 62 THR HA 1 62 THR HG1 2.680 . 2.680 2.364 2.343 2.381 . 0 0 "[ . 1]" 1
644 1 62 THR HG1 1 63 GLU H 4.540 . 4.540 3.440 2.962 3.826 . 0 0 "[ . 1]" 1
645 1 63 GLU H 1 63 GLU QB . . 3.170 2.898 2.672 3.239 0.069 5 0 "[ . 1]" 1
646 1 63 GLU H 1 64 ASP H 4.400 . 4.400 4.379 4.323 4.412 0.012 1 0 "[ . 1]" 1
647 1 63 GLU H 1 65 THR HG1 4.900 . 4.900 4.006 3.534 4.210 . 0 0 "[ . 1]" 1
648 1 63 GLU H 1 89 VAL H 6.120 . 6.120 6.137 5.968 6.334 0.214 6 0 "[ . 1]" 1
649 1 63 GLU H 1 89 VAL HB 5.080 . 5.080 4.552 4.329 5.062 . 0 0 "[ . 1]" 1
650 1 63 GLU H 1 89 VAL QG . . 3.360 2.596 2.432 3.073 . 0 0 "[ . 1]" 1
651 1 63 GLU HA 1 91 GLN HE21 4.370 . 4.370 4.072 3.591 4.496 0.126 7 0 "[ . 1]" 1
652 1 63 GLU HA 1 91 GLN HE22 3.950 . 3.950 3.841 3.525 4.069 0.119 6 0 "[ . 1]" 1
653 1 63 GLU QB 1 64 ASP H . . 3.120 2.830 2.258 3.533 0.413 3 0 "[ . 1]" 1
654 1 63 GLU QB 1 65 THR HG1 5.240 . 5.240 4.188 3.845 4.809 . 0 0 "[ . 1]" 1
655 1 63 GLU QB 1 91 GLN HE22 5.810 . 5.810 5.243 4.522 5.806 . 0 0 "[ . 1]" 1
656 1 64 ASP H 1 64 ASP QB 3.300 . 3.300 2.386 2.252 2.550 . 0 0 "[ . 1]" 1
657 1 64 ASP H 1 89 VAL H 4.480 . 4.480 4.075 3.882 4.224 . 0 0 "[ . 1]" 1
658 1 64 ASP H 1 89 VAL HB 4.400 . 4.400 3.886 3.374 4.918 0.518 3 1 "[ + . 1]" 1
659 1 64 ASP H 1 91 GLN HE21 6.000 . 6.000 5.243 4.942 6.109 0.109 7 0 "[ . 1]" 1
660 1 64 ASP H 1 91 GLN HE22 5.590 . 5.590 5.478 4.842 5.681 0.091 5 0 "[ . 1]" 1
661 1 64 ASP HA 1 65 THR H 2.960 . 2.960 2.182 2.156 2.209 . 0 0 "[ . 1]" 1
662 1 64 ASP HA 1 87 LEU H 5.050 . 5.050 4.922 4.790 5.133 0.083 3 0 "[ . 1]" 1
663 1 64 ASP QB 1 65 THR H 3.820 . 3.820 3.372 2.993 3.705 . 0 0 "[ . 1]" 1
664 1 65 THR H 1 65 THR HB 4.200 . 4.200 3.595 3.540 3.936 . 0 0 "[ . 1]" 1
665 1 65 THR H 1 65 THR HG1 3.580 . 3.580 2.534 2.484 2.717 . 0 0 "[ . 1]" 1
666 1 65 THR H 1 86 ASN HA 4.870 . 4.870 4.874 4.711 5.004 0.134 3 0 "[ . 1]" 1
667 1 65 THR H 1 87 LEU H 3.850 . 3.850 3.343 3.289 3.453 . 0 0 "[ . 1]" 1
668 1 65 THR H 1 87 LEU QB 4.150 . 4.150 3.214 2.816 3.367 . 0 0 "[ . 1]" 1
669 1 65 THR HA 1 65 THR HG1 3.320 . 3.320 2.830 2.340 3.008 . 0 0 "[ . 1]" 1
670 1 65 THR HA 1 66 SER H 2.940 . 2.940 2.532 2.380 2.624 . 0 0 "[ . 1]" 1
671 1 65 THR HB 1 66 SER H 4.220 . 4.220 3.428 2.386 3.688 . 0 0 "[ . 1]" 1
672 1 65 THR HG1 1 66 SER H 3.690 . 3.690 2.416 1.858 3.164 . 0 0 "[ . 1]" 1
673 1 65 THR HG1 1 66 SER HA 4.340 . 4.340 3.528 3.452 3.654 . 0 0 "[ . 1]" 1
674 1 65 THR HG1 1 67 LYS H 4.500 . 4.500 4.435 4.302 4.576 0.076 4 0 "[ . 1]" 1
675 1 65 THR HG1 1 67 LYS QE 4.210 . 4.210 4.007 3.483 4.468 0.258 7 0 "[ . 1]" 1
676 1 65 THR HG1 1 87 LEU H 4.280 . 4.280 3.911 3.791 4.007 . 0 0 "[ . 1]" 1
677 1 65 THR HG1 1 87 LEU HA 5.400 . 5.400 5.427 5.230 5.540 0.140 6 0 "[ . 1]" 1
678 1 65 THR HG1 1 87 LEU QB 3.430 . 3.430 2.929 2.701 3.069 . 0 0 "[ . 1]" 1
679 1 66 SER H 1 66 SER QB . . 3.460 2.981 2.666 3.209 . 0 0 "[ . 1]" 1
680 1 66 SER H 1 67 LYS H 4.490 . 4.490 4.311 4.170 4.398 . 0 0 "[ . 1]" 1
681 1 66 SER HA 1 67 LYS H 3.000 . 3.000 2.206 2.167 2.241 . 0 0 "[ . 1]" 1
682 1 66 SER HA 1 67 LYS QB 5.010 . 5.010 4.262 3.960 4.392 . 0 0 "[ . 1]" 1
683 1 66 SER HA 1 85 VAL H 4.800 . 4.800 4.639 4.538 4.808 0.008 3 0 "[ . 1]" 1
684 1 66 SER HA 1 85 VAL QG 4.780 . 4.780 4.193 3.495 4.575 . 0 0 "[ . 1]" 1
685 1 66 SER HA 1 86 ASN HA 3.590 . 3.590 2.864 2.686 2.963 . 0 0 "[ . 1]" 1
686 1 66 SER HA 1 86 ASN QB 5.120 . 5.120 4.766 4.514 4.902 . 0 0 "[ . 1]" 1
687 1 66 SER HA 1 87 LEU H 3.860 . 3.860 3.236 2.999 3.462 . 0 0 "[ . 1]" 1
688 1 66 SER QB 1 84 LYS QB . . 4.700 4.421 3.892 4.790 0.090 1 0 "[ . 1]" 1
689 1 66 SER QB 1 86 ASN HA 4.460 . 4.460 2.628 2.380 3.162 . 0 0 "[ . 1]" 1
690 1 66 SER QB 1 86 ASN QD 5.610 . 5.610 4.418 4.126 4.929 . 0 0 "[ . 1]" 1
691 1 66 SER QB 1 87 LEU H 5.220 . 5.220 3.869 3.609 4.470 . 0 0 "[ . 1]" 1
692 1 67 LYS H 1 67 LYS QB . . 3.330 2.857 2.625 3.224 . 0 0 "[ . 1]" 1
693 1 67 LYS H 1 67 LYS QE 5.810 . 5.810 4.800 4.203 5.724 . 0 0 "[ . 1]" 1
694 1 67 LYS H 1 85 VAL H 3.510 . 3.510 3.499 3.240 3.635 0.125 7 0 "[ . 1]" 1
695 1 67 LYS H 1 85 VAL QG 3.940 . 3.940 3.681 2.703 4.125 0.185 1 0 "[ . 1]" 1
696 1 67 LYS H 1 86 ASN HA 4.380 . 4.380 4.424 4.224 4.538 0.158 8 0 "[ . 1]" 1
697 1 67 LYS QB 1 68 THR H . . 3.340 3.008 2.813 3.562 0.222 8 0 "[ . 1]" 1
698 1 67 LYS QB 1 69 LEU QD 3.620 . 3.620 2.987 2.577 3.376 . 0 0 "[ . 1]" 1
699 1 67 LYS QE 1 67 LYS QG 3.370 . 3.370 2.348 2.146 2.611 . 0 0 "[ . 1]" 1
700 1 67 LYS QE 1 69 LEU QD 4.130 . 4.130 3.642 2.310 4.618 0.488 9 0 "[ . 1]" 1
701 1 68 THR H 1 68 THR HB 3.290 . 3.290 2.606 2.528 2.969 . 0 0 "[ . 1]" 1
702 1 68 THR H 1 68 THR HG1 3.780 . 3.780 3.011 1.799 3.351 0.001 3 0 "[ . 1]" 1
703 1 68 THR H 1 69 LEU H 4.600 . 4.600 4.542 4.420 4.578 . 0 0 "[ . 1]" 1
704 1 68 THR H 1 69 LEU QD 4.900 . 4.900 4.220 3.859 4.431 . 0 0 "[ . 1]" 1
705 1 68 THR HA 1 69 LEU H 3.070 . 3.070 2.180 2.166 2.192 . 0 0 "[ . 1]" 1
706 1 68 THR HA 1 84 LYS HA 3.640 . 3.640 3.240 2.951 3.401 . 0 0 "[ . 1]" 1
707 1 68 THR HB 1 69 LEU H 4.400 . 4.400 4.104 4.039 4.225 . 0 0 "[ . 1]" 1
708 1 68 THR HG1 1 69 LEU H 3.570 . 3.570 2.597 2.501 2.818 . 0 0 "[ . 1]" 1
709 1 68 THR HG1 1 83 VAL H 3.210 . 3.210 2.898 2.390 3.291 0.081 9 0 "[ . 1]" 1
710 1 69 LEU H 1 69 LEU QB . . 3.270 2.570 2.538 2.590 . 0 0 "[ . 1]" 1
711 1 69 LEU H 1 69 LEU QD 3.720 . 3.720 3.307 3.191 3.405 . 0 0 "[ . 1]" 1
712 1 69 LEU H 1 70 GLU H 4.680 . 4.680 4.341 4.242 4.431 . 0 0 "[ . 1]" 1
713 1 69 LEU H 1 82 THR HA 4.610 . 4.610 4.375 4.263 4.501 . 0 0 "[ . 1]" 1
714 1 69 LEU H 1 82 THR HB 5.580 . 5.580 5.202 5.017 5.434 . 0 0 "[ . 1]" 1
715 1 69 LEU H 1 83 VAL H 3.570 . 3.570 3.246 3.040 3.366 . 0 0 "[ . 1]" 1
716 1 69 LEU H 1 83 VAL QG 4.440 . 4.440 3.382 3.094 3.641 . 0 0 "[ . 1]" 1
717 1 69 LEU H 1 84 LYS HA 4.480 . 4.480 4.462 4.237 4.563 0.083 10 0 "[ . 1]" 1
718 1 69 LEU HA 1 70 GLU H 2.860 . 2.860 2.140 2.112 2.176 . 0 0 "[ . 1]" 1
719 1 69 LEU QB 1 70 GLU H . . 3.430 3.291 3.084 3.502 0.072 2 0 "[ . 1]" 1
720 1 69 LEU QB 1 83 VAL H 4.230 . 4.230 4.312 4.254 4.409 0.179 9 0 "[ . 1]" 1
721 1 69 LEU QB 1 83 VAL QG 3.160 . 3.160 3.039 2.771 3.212 0.052 9 0 "[ . 1]" 1
722 1 69 LEU QD 1 70 GLU H 3.660 . 3.660 3.689 3.566 3.819 0.159 10 0 "[ . 1]" 1
723 1 70 GLU H 1 70 GLU QB 3.120 . 3.120 2.579 2.237 2.837 . 0 0 "[ . 1]" 1
724 1 70 GLU H 1 70 GLU QG . . 3.590 2.374 1.818 4.024 0.434 10 0 "[ . 1]" 1
725 1 70 GLU H 1 82 THR HA 5.460 . 5.460 5.374 5.124 5.469 0.009 10 0 "[ . 1]" 1
726 1 70 GLU H 1 82 THR HG1 5.060 . 5.060 4.974 4.751 5.118 0.058 3 0 "[ . 1]" 1
727 1 70 GLU HA 1 70 GLU QG 3.730 . 3.730 2.912 2.376 3.345 . 0 0 "[ . 1]" 1
728 1 70 GLU HA 1 71 LEU H 3.010 . 3.010 2.168 2.159 2.189 . 0 0 "[ . 1]" 1
729 1 70 GLU HA 1 82 THR HA 3.760 . 3.760 3.257 3.005 3.532 . 0 0 "[ . 1]" 1
730 1 70 GLU QB 1 71 LEU H 3.990 . 3.990 3.170 3.014 3.808 . 0 0 "[ . 1]" 1
731 1 71 LEU H 1 71 LEU QB 3.410 . 3.410 2.585 2.553 2.619 . 0 0 "[ . 1]" 1
732 1 71 LEU H 1 71 LEU QD . . 3.920 3.135 3.063 3.191 . 0 0 "[ . 1]" 1
733 1 71 LEU H 1 71 LEU HG 3.620 . 3.620 2.429 2.345 2.531 . 0 0 "[ . 1]" 1
734 1 71 LEU H 1 72 LYS H 4.550 . 4.550 4.450 4.267 4.502 . 0 0 "[ . 1]" 1
735 1 71 LEU H 1 81 SER HA 4.050 . 4.050 3.866 3.420 4.016 . 0 0 "[ . 1]" 1
736 1 71 LEU H 1 82 THR H 5.400 . 5.400 5.184 5.009 5.327 . 0 0 "[ . 1]" 1
737 1 71 LEU H 1 82 THR HA 4.180 . 4.180 4.167 3.895 4.311 0.131 2 0 "[ . 1]" 1
738 1 71 LEU HA 1 72 LYS H 2.810 . 2.810 2.152 2.136 2.180 . 0 0 "[ . 1]" 1
739 1 71 LEU QB 1 72 LYS H 3.880 . 3.880 3.163 3.051 3.463 . 0 0 "[ . 1]" 1
740 1 71 LEU QB 1 81 SER HA 3.600 . 3.600 3.032 2.726 3.353 . 0 0 "[ . 1]" 1
741 1 71 LEU QD 1 72 LYS H 3.790 . 3.790 3.714 3.638 3.835 0.045 3 0 "[ . 1]" 1
742 1 71 LEU QD 1 81 SER HA 3.950 . 3.950 3.164 2.741 3.522 . 0 0 "[ . 1]" 1
743 1 71 LEU QD 1 82 THR H 5.480 . 5.480 4.771 4.271 5.341 . 0 0 "[ . 1]" 1
744 1 71 LEU QD 1 82 THR HA 5.960 . 5.960 4.413 4.028 4.718 . 0 0 "[ . 1]" 1
745 1 71 LEU HG 1 82 THR HA 4.670 . 4.670 4.165 3.673 4.533 . 0 0 "[ . 1]" 1
746 1 72 LYS H 1 73 ALA H 4.390 . 4.390 4.397 4.365 4.420 0.030 9 0 "[ . 1]" 1
747 1 72 LYS H 1 73 ALA MB 4.860 . 4.860 4.571 4.453 4.691 . 0 0 "[ . 1]" 1
748 1 72 LYS H 1 78 VAL QG 4.800 . 4.800 3.984 3.780 4.253 . 0 0 "[ . 1]" 1
749 1 72 LYS HA 1 73 ALA H 2.730 . 2.730 2.216 2.178 2.258 . 0 0 "[ . 1]" 1
750 1 72 LYS QB 1 73 ALA H 3.390 . 3.390 3.055 2.743 3.532 0.142 6 0 "[ . 1]" 1
751 1 73 ALA H 1 73 ALA MB 3.450 . 3.450 2.600 2.500 2.661 . 0 0 "[ . 1]" 1
752 1 73 ALA H 1 74 GLU HA 5.050 . 5.050 4.666 4.564 4.783 . 0 0 "[ . 1]" 1
753 1 73 ALA H 1 76 VAL H 5.370 . 5.370 5.082 4.900 5.296 . 0 0 "[ . 1]" 1
754 1 73 ALA H 1 76 VAL QG 4.140 . 4.140 3.902 3.734 4.183 0.043 8 0 "[ . 1]" 1
755 1 73 ALA HA 1 74 GLU H 2.680 . 2.680 2.204 2.175 2.234 . 0 0 "[ . 1]" 1
756 1 73 ALA HA 1 74 GLU QB 4.390 . 4.390 4.374 4.271 4.409 0.019 3 0 "[ . 1]" 1
757 1 73 ALA HA 1 74 GLU QG 5.100 . 5.100 3.731 3.533 4.577 . 0 0 "[ . 1]" 1
758 1 73 ALA MB 1 74 GLU H 3.200 . 3.200 2.968 2.836 3.121 . 0 0 "[ . 1]" 1
759 1 73 ALA MB 1 74 GLU QB 4.750 . 4.750 4.637 4.493 4.766 0.016 10 0 "[ . 1]" 1
760 1 73 ALA MB 1 76 VAL H 4.250 . 4.250 3.611 3.525 3.800 . 0 0 "[ . 1]" 1
761 1 73 ALA MB 1 76 VAL QG 2.650 . 2.650 2.012 1.933 2.144 . 0 0 "[ . 1]" 1
762 1 74 GLU H 1 74 GLU QB 2.710 . 2.710 2.425 2.364 2.660 . 0 0 "[ . 1]" 1
763 1 74 GLU H 1 74 GLU QG 3.430 . 3.430 2.357 1.829 3.292 . 0 0 "[ . 1]" 1
764 1 74 GLU H 1 75 GLY H 4.620 . 4.620 4.454 4.391 4.543 . 0 0 "[ . 1]" 1
765 1 74 GLU H 1 76 VAL H 4.950 . 4.950 4.627 4.377 4.778 . 0 0 "[ . 1]" 1
766 1 74 GLU H 1 76 VAL QG 4.390 . 4.390 4.202 3.883 4.506 0.116 8 0 "[ . 1]" 1
767 1 74 GLU HA 1 74 GLU QG 3.420 . 3.420 2.597 2.344 3.343 . 0 0 "[ . 1]" 1
768 1 74 GLU HA 1 75 GLY H 2.990 . 2.990 2.104 2.058 2.128 . 0 0 "[ . 1]" 1
769 1 74 GLU HA 1 75 GLY QA 4.440 . 4.440 3.927 3.908 3.948 . 0 0 "[ . 1]" 1
770 1 74 GLU HA 1 76 VAL H 4.580 . 4.580 3.583 3.371 3.671 . 0 0 "[ . 1]" 1
771 1 74 GLU QB 1 75 GLY H 3.890 . 3.890 3.303 3.031 3.460 . 0 0 "[ . 1]" 1
772 1 74 GLU QB 1 75 GLY QA 5.160 . 5.160 3.892 3.750 3.925 . 0 0 "[ . 1]" 1
773 1 74 GLU QG 1 75 GLY H 4.100 . 4.100 4.157 4.078 4.481 0.381 4 0 "[ . 1]" 1
774 1 74 GLU QG 1 75 GLY QA . . 5.250 5.001 3.856 5.432 0.182 4 0 "[ . 1]" 1
775 1 74 GLU QG 1 76 VAL H 5.450 . 5.450 5.331 4.528 5.659 0.209 6 0 "[ . 1]" 1
776 1 75 GLY H 1 75 GLY QA 2.560 . 2.560 2.334 2.263 2.395 . 0 0 "[ . 1]" 1
777 1 75 GLY H 1 76 VAL H 3.580 . 3.580 2.499 2.325 2.945 . 0 0 "[ . 1]" 1
778 1 75 GLY QA 1 76 VAL QG 4.350 . 4.350 3.068 3.014 3.115 . 0 0 "[ . 1]" 1
779 1 76 VAL H 1 76 VAL QG 3.120 . 3.120 2.100 1.987 2.172 . 0 0 "[ . 1]" 1
780 1 76 VAL H 1 77 THR H 4.440 . 4.440 4.450 4.434 4.477 0.037 7 0 "[ . 1]" 1
781 1 76 VAL HA 1 77 THR H 3.260 . 3.260 2.353 2.324 2.427 . 0 0 "[ . 1]" 1
782 1 76 VAL HA 1 77 THR HG1 4.950 . 4.950 3.943 3.351 4.718 . 0 0 "[ . 1]" 1
783 1 76 VAL HB 1 77 THR H 3.370 . 3.370 2.558 2.526 2.603 . 0 0 "[ . 1]" 1
784 1 76 VAL QG 1 77 THR H 3.720 . 3.720 3.197 3.117 3.256 . 0 0 "[ . 1]" 1
785 1 77 THR H 1 77 THR HB 3.670 . 3.670 2.603 2.540 2.757 . 0 0 "[ . 1]" 1
786 1 77 THR H 1 77 THR HG1 3.770 . 3.770 2.843 2.399 3.488 . 0 0 "[ . 1]" 1
787 1 77 THR H 1 78 VAL H 4.340 . 4.340 4.272 4.231 4.328 . 0 0 "[ . 1]" 1
788 1 77 THR HA 1 77 THR HG1 2.990 . 2.990 2.228 2.069 2.309 . 0 0 "[ . 1]" 1
789 1 77 THR HA 1 78 VAL H 2.880 . 2.880 2.165 2.138 2.184 . 0 0 "[ . 1]" 1
790 1 77 THR HG1 1 78 VAL H 3.220 . 3.220 3.047 2.909 3.142 . 0 0 "[ . 1]" 1
791 1 77 THR HG1 1 79 GLN H 6.000 . 6.000 4.553 4.476 4.705 . 0 0 "[ . 1]" 1
792 1 77 THR HG1 1 79 GLN QE 4.460 . 4.460 3.020 2.144 4.506 0.046 4 0 "[ . 1]" 1
793 1 78 VAL H 1 78 VAL HB 3.190 . 3.190 2.797 2.626 3.545 0.355 8 0 "[ . 1]" 1
794 1 78 VAL H 1 78 VAL QG . . 3.060 2.012 1.762 2.105 0.038 8 0 "[ . 1]" 1
795 1 78 VAL H 1 79 GLN H 5.110 . 5.110 4.517 4.462 4.562 . 0 0 "[ . 1]" 1
796 1 78 VAL HA 1 79 GLN H 3.060 . 3.060 2.203 2.153 2.237 . 0 0 "[ . 1]" 1
797 1 78 VAL QG 1 79 GLN H . . 3.020 2.735 2.549 3.461 0.441 8 0 "[ . 1]" 1
798 1 78 VAL QG 1 81 SER H 4.670 . 4.670 3.316 3.134 4.513 . 0 0 "[ . 1]" 1
799 1 79 GLN H 1 81 SER H 5.530 . 5.530 3.694 3.515 3.815 . 0 0 "[ . 1]" 1
800 1 80 PRO HA 1 81 SER H 3.380 . 3.380 3.358 3.274 3.388 0.008 7 0 "[ . 1]" 1
801 1 80 PRO HA 1 82 THR H 4.460 . 4.460 4.315 3.998 4.452 . 0 0 "[ . 1]" 1
802 1 80 PRO QB 1 81 SER H 3.630 . 3.630 3.632 3.595 3.731 0.101 3 0 "[ . 1]" 1
803 1 80 PRO QB 1 82 THR H 3.450 . 3.450 2.963 2.636 3.158 . 0 0 "[ . 1]" 1
804 1 80 PRO QG 1 81 SER H 4.000 . 4.000 2.870 2.759 3.052 . 0 0 "[ . 1]" 1
805 1 80 PRO QG 1 82 THR H 4.240 . 4.240 2.401 2.254 2.577 . 0 0 "[ . 1]" 1
806 1 80 PRO QG 1 83 VAL QG . . 4.650 3.863 3.677 4.118 . 0 0 "[ . 1]" 1
807 1 81 SER H 1 82 THR H 3.000 . 3.000 2.744 2.670 2.847 . 0 0 "[ . 1]" 1
808 1 81 SER H 1 82 THR HA 5.400 . 5.400 5.401 5.366 5.438 0.038 9 0 "[ . 1]" 1
809 1 81 SER H 1 82 THR HG1 5.580 . 5.580 4.198 3.949 4.348 . 0 0 "[ . 1]" 1
810 1 82 THR H 1 82 THR HB 4.160 . 4.160 3.754 3.640 3.828 . 0 0 "[ . 1]" 1
811 1 82 THR H 1 82 THR HG1 3.720 . 3.720 2.380 1.875 2.800 . 0 0 "[ . 1]" 1
812 1 82 THR H 1 83 VAL H 4.600 . 4.600 4.358 4.305 4.484 . 0 0 "[ . 1]" 1
813 1 82 THR H 1 83 VAL HA 5.280 . 5.280 5.051 4.958 5.286 0.006 5 0 "[ . 1]" 1
814 1 82 THR H 1 83 VAL QG 5.090 . 5.090 3.531 3.410 3.834 . 0 0 "[ . 1]" 1
815 1 82 THR HA 1 82 THR HG1 3.090 . 3.090 2.327 2.308 2.346 . 0 0 "[ . 1]" 1
816 1 82 THR HA 1 83 VAL H 3.050 . 3.050 2.163 2.142 2.191 . 0 0 "[ . 1]" 1
817 1 82 THR HA 1 83 VAL HA 4.570 . 4.570 4.491 4.476 4.501 . 0 0 "[ . 1]" 1
818 1 82 THR HA 1 83 VAL QG 4.610 . 4.610 3.184 3.156 3.211 . 0 0 "[ . 1]" 1
819 1 82 THR HB 1 83 VAL H 3.520 . 3.520 3.076 3.051 3.104 . 0 0 "[ . 1]" 1
820 1 82 THR HG1 1 83 VAL H 3.540 . 3.540 3.560 3.531 3.655 0.115 1 0 "[ . 1]" 1
821 1 83 VAL H 1 83 VAL QG 3.480 . 3.480 2.278 2.247 2.326 . 0 0 "[ . 1]" 1
822 1 83 VAL H 1 84 LYS H 4.480 . 4.480 4.348 4.313 4.380 . 0 0 "[ . 1]" 1
823 1 83 VAL HA 1 84 LYS H 3.080 . 3.080 2.298 2.242 2.331 . 0 0 "[ . 1]" 1
824 1 83 VAL HB 1 84 LYS H 3.480 . 3.480 2.803 2.684 2.996 . 0 0 "[ . 1]" 1
825 1 83 VAL QG 1 84 LYS H . . 3.690 3.375 3.326 3.454 . 0 0 "[ . 1]" 1
826 1 83 VAL QG 1 84 LYS HA 5.110 . 5.110 4.123 4.061 4.166 . 0 0 "[ . 1]" 1
827 1 84 LYS H 1 84 LYS QB 3.180 . 3.180 2.385 2.313 2.426 . 0 0 "[ . 1]" 1
828 1 84 LYS H 1 84 LYS QE 6.000 . 6.000 4.937 4.583 5.996 . 0 0 "[ . 1]" 1
829 1 84 LYS H 1 84 LYS QG 3.950 . 3.950 2.834 2.470 4.008 0.058 1 0 "[ . 1]" 1
830 1 84 LYS H 1 85 VAL H 4.470 . 4.470 4.472 4.425 4.505 0.035 4 0 "[ . 1]" 1
831 1 84 LYS HA 1 85 VAL H 3.010 . 3.010 2.164 2.115 2.182 . 0 0 "[ . 1]" 1
832 1 84 LYS HA 1 85 VAL QG 5.270 . 5.270 3.488 3.395 3.658 . 0 0 "[ . 1]" 1
833 1 84 LYS QB 1 85 VAL H 3.680 . 3.680 3.252 3.105 3.745 0.065 9 0 "[ . 1]" 1
834 1 84 LYS QB 1 86 ASN QD 4.970 . 4.970 4.279 3.742 4.827 . 0 0 "[ . 1]" 1
835 1 84 LYS QE 1 84 LYS QG 3.150 . 3.150 2.262 2.136 2.361 . 0 0 "[ . 1]" 1
836 1 84 LYS QG 1 85 VAL H 4.130 . 4.130 3.852 2.619 4.504 0.374 3 0 "[ . 1]" 1
837 1 85 VAL H 1 85 VAL QG . . 3.370 2.486 2.078 2.665 . 0 0 "[ . 1]" 1
838 1 85 VAL H 1 86 ASN H 4.310 . 4.310 4.311 4.271 4.355 0.045 8 0 "[ . 1]" 1
839 1 85 VAL HA 1 86 ASN H 3.090 . 3.090 2.135 2.114 2.146 . 0 0 "[ . 1]" 1
840 1 85 VAL HB 1 86 ASN H 4.380 . 4.380 4.197 4.120 4.270 . 0 0 "[ . 1]" 1
841 1 85 VAL QG 1 86 ASN H . . 3.450 2.668 2.419 2.858 . 0 0 "[ . 1]" 1
842 1 86 ASN H 1 86 ASN QB 3.420 . 3.420 2.557 2.420 2.920 . 0 0 "[ . 1]" 1
843 1 86 ASN H 1 86 ASN QD 4.640 . 4.640 3.322 2.581 3.680 . 0 0 "[ . 1]" 1
844 1 86 ASN H 1 87 LEU HG 5.570 . 5.570 4.776 4.720 4.858 . 0 0 "[ . 1]" 1
845 1 86 ASN HA 1 87 LEU H 2.990 . 2.990 2.151 2.140 2.169 . 0 0 "[ . 1]" 1
846 1 86 ASN QB 1 87 LEU H 3.900 . 3.900 3.286 3.239 3.329 . 0 0 "[ . 1]" 1
847 1 87 LEU H 1 87 LEU QB 3.820 . 3.820 2.555 2.532 2.590 . 0 0 "[ . 1]" 1
848 1 87 LEU H 1 87 LEU QD 3.840 . 3.840 3.210 3.161 3.247 . 0 0 "[ . 1]" 1
849 1 87 LEU H 1 87 LEU HG 3.810 . 3.810 2.482 2.445 2.518 . 0 0 "[ . 1]" 1
850 1 87 LEU H 1 88 LYS H 4.200 . 4.200 4.233 4.164 4.356 0.156 5 0 "[ . 1]" 1
851 1 87 LEU HA 1 87 LEU QD 3.160 . 3.160 2.185 2.177 2.198 . 0 0 "[ . 1]" 1
852 1 87 LEU HA 1 88 LYS H 3.130 . 3.130 2.183 2.152 2.204 . 0 0 "[ . 1]" 1
853 1 87 LEU HA 1 88 LYS QB 4.730 . 4.730 4.398 4.145 4.491 . 0 0 "[ . 1]" 1
854 1 87 LEU QB 1 87 LEU QD . . 2.850 1.958 1.955 1.960 . 0 0 "[ . 1]" 1
855 1 87 LEU QB 1 88 LYS H . . 4.110 3.564 3.382 3.647 . 0 0 "[ . 1]" 1
856 1 87 LEU QD 1 88 LYS H 3.970 . 3.970 3.869 3.787 3.906 . 0 0 "[ . 1]" 1
857 1 88 LYS H 1 88 LYS QB . . 3.320 2.394 2.302 2.454 . 0 0 "[ . 1]" 1
858 1 88 LYS H 1 88 LYS QE 6.000 . 6.000 4.841 4.461 6.125 0.125 1 0 "[ . 1]" 1
859 1 88 LYS H 1 89 VAL H 4.540 . 4.540 4.462 4.377 4.505 . 0 0 "[ . 1]" 1
860 1 88 LYS HA 1 89 VAL H 3.070 . 3.070 2.148 2.097 2.171 . 0 0 "[ . 1]" 1
861 1 88 LYS QB 1 89 VAL H . . 4.000 3.273 3.176 3.768 . 0 0 "[ . 1]" 1
862 1 88 LYS QG 1 89 VAL H 4.330 . 4.330 4.100 2.730 4.657 0.327 2 0 "[ . 1]" 1
863 1 89 VAL H 1 89 VAL HB 3.500 . 3.500 2.804 2.540 3.609 0.109 6 0 "[ . 1]" 1
864 1 89 VAL H 1 89 VAL QG 3.480 . 3.480 2.192 1.778 2.379 0.022 6 0 "[ . 1]" 1
865 1 89 VAL H 1 90 THR H 4.820 . 4.820 4.488 4.451 4.564 . 0 0 "[ . 1]" 1
866 1 89 VAL HA 1 90 THR H 3.030 . 3.030 2.187 2.171 2.220 . 0 0 "[ . 1]" 1
867 1 89 VAL HB 1 90 THR H 4.200 . 4.200 3.954 3.188 4.248 0.048 2 0 "[ . 1]" 1
868 1 89 VAL HB 1 91 GLN HE21 5.770 . 5.770 3.180 2.652 4.809 . 0 0 "[ . 1]" 1
869 1 89 VAL QG 1 90 THR H 3.560 . 3.560 2.794 2.525 3.529 . 0 0 "[ . 1]" 1
870 1 89 VAL QG 1 91 GLN H 4.900 . 4.900 4.203 3.889 4.506 . 0 0 "[ . 1]" 1
871 1 89 VAL QG 1 91 GLN HE21 3.830 . 3.830 2.287 1.815 3.822 . 0 0 "[ . 1]" 1
872 1 89 VAL QG 1 91 GLN HE22 3.970 . 3.970 2.486 2.205 2.961 . 0 0 "[ . 1]" 1
873 1 89 VAL QG 1 91 GLN QG 4.980 . 4.980 3.601 2.943 4.163 . 0 0 "[ . 1]" 1
874 1 90 THR H 1 90 THR HB 3.580 . 3.580 2.667 2.524 3.649 0.069 5 0 "[ . 1]" 1
875 1 90 THR H 1 90 THR HG1 3.940 . 3.940 2.791 2.206 3.126 . 0 0 "[ . 1]" 1
876 1 90 THR H 1 91 GLN H 4.670 . 4.670 4.380 4.261 4.429 . 0 0 "[ . 1]" 1
877 1 90 THR HA 1 91 GLN H 3.030 . 3.030 2.171 2.140 2.207 . 0 0 "[ . 1]" 1
878 1 90 THR HA 1 91 GLN QG 4.530 . 4.530 3.792 3.505 4.788 0.258 8 0 "[ . 1]" 1
879 1 90 THR HB 1 91 GLN H 4.320 . 4.320 4.215 3.444 4.364 0.044 6 0 "[ . 1]" 1
880 1 90 THR HG1 1 91 GLN H 3.550 . 3.550 3.038 2.889 3.665 0.115 5 0 "[ . 1]" 1
881 1 91 GLN H 1 91 GLN QB 3.340 . 3.340 2.487 2.392 2.755 . 0 0 "[ . 1]" 1
882 1 91 GLN H 1 91 GLN QG . . 3.340 2.282 1.949 3.450 0.110 8 0 "[ . 1]" 1
883 1 91 GLN H 1 92 LYS H 4.790 . 4.790 4.545 4.451 4.601 . 0 0 "[ . 1]" 1
884 1 91 GLN H 1 93 LEU QD 5.920 . 5.920 5.004 4.102 5.985 0.065 1 0 "[ . 1]" 1
885 1 91 GLN HA 1 92 LYS H 3.080 . 3.080 2.181 2.159 2.205 . 0 0 "[ . 1]" 1
886 1 91 GLN QB 1 91 GLN HE21 4.050 . 4.050 3.821 2.708 4.025 . 0 0 "[ . 1]" 1
887 1 91 GLN QB 1 91 GLN HE22 4.270 . 4.270 4.276 3.806 4.354 0.084 8 0 "[ . 1]" 1
888 1 91 GLN QB 1 92 LYS H . . 3.400 3.171 3.095 3.233 . 0 0 "[ . 1]" 1
889 1 91 GLN HE21 1 92 LYS H 6.000 . 6.000 5.591 5.218 6.025 0.025 8 0 "[ . 1]" 1
890 1 92 LYS H 1 93 LEU QD 4.960 . 4.960 4.503 3.387 5.337 0.377 1 0 "[ . 1]" 1
891 1 93 LEU HA 1 93 LEU QD . . 3.020 2.481 2.094 3.407 0.387 10 0 "[ . 1]" 1
892 1 93 LEU HA 1 94 GLU H 2.870 . 2.870 2.500 2.138 3.275 0.405 3 0 "[ . 1]" 1
893 1 93 LEU QB 1 94 GLU H 3.820 . 3.820 3.383 2.359 4.019 0.199 7 0 "[ . 1]" 1
894 1 93 LEU QD 1 94 GLU H . . 3.970 3.770 3.070 4.252 0.282 10 0 "[ . 1]" 1
895 1 94 GLU H 1 94 GLU QB 3.260 . 3.260 2.860 2.374 3.363 0.103 5 0 "[ . 1]" 1
896 1 94 GLU H 1 94 GLU QG 3.650 . 3.650 2.641 1.902 4.176 0.526 3 1 "[ + . 1]" 1
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