NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
640373 |
6rpv   |
34399 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6rpv
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 996
_Distance_constraint_stats_list.Viol_count 2789
_Distance_constraint_stats_list.Viol_total 1215.439
_Distance_constraint_stats_list.Viol_max 0.545
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0218
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 PRO 0.170 0.042 17 0 "[ . 1 . 2]"
1 4 GLY 0.170 0.042 17 0 "[ . 1 . 2]"
1 5 LYS 0.094 0.042 15 0 "[ . 1 . 2]"
1 6 PRO 0.091 0.042 15 0 "[ . 1 . 2]"
1 8 ARG 3.438 0.545 11 2 "[ . 1+ - 2]"
1 9 LEU 2.210 0.200 13 0 "[ . 1 . 2]"
1 10 VAL 5.646 0.545 11 2 "[ . 1+ - 2]"
1 13 PRO 0.089 0.012 3 0 "[ . 1 . 2]"
1 14 MET 0.103 0.020 18 0 "[ . 1 . 2]"
1 15 ASP 0.283 0.027 9 0 "[ . 1 . 2]"
1 16 ALA 1.024 0.032 3 0 "[ . 1 . 2]"
1 17 SER 0.465 0.036 13 0 "[ . 1 . 2]"
1 18 VAL 1.177 0.059 1 0 "[ . 1 . 2]"
1 19 GLU 1.024 0.059 1 0 "[ . 1 . 2]"
1 20 GLU 2.037 0.094 17 0 "[ . 1 . 2]"
1 21 GLU 1.936 0.094 17 0 "[ . 1 . 2]"
1 22 GLY 0.021 0.006 17 0 "[ . 1 . 2]"
1 23 VAL 1.103 0.044 4 0 "[ . 1 . 2]"
1 24 ARG 0.828 0.051 11 0 "[ . 1 . 2]"
1 25 ARG 0.701 0.029 2 0 "[ . 1 . 2]"
1 26 ALA 0.741 0.022 20 0 "[ . 1 . 2]"
1 27 LEU 0.513 0.019 7 0 "[ . 1 . 2]"
1 28 ASP 2.258 0.544 8 1 "[ . + 1 . 2]"
1 29 PHE 0.689 0.029 2 0 "[ . 1 . 2]"
1 30 ALA 0.848 0.057 8 0 "[ . 1 . 2]"
1 31 VAL 7.043 0.544 8 1 "[ . + 1 . 2]"
1 32 GLY 0.178 0.022 16 0 "[ . 1 . 2]"
1 33 GLU 2.457 0.115 4 0 "[ . 1 . 2]"
1 34 TYR 1.478 0.038 16 0 "[ . 1 . 2]"
1 35 ASN 0.594 0.072 8 0 "[ . 1 . 2]"
1 36 LYS 1.262 0.037 8 0 "[ . 1 . 2]"
1 37 ALA 2.907 0.115 4 0 "[ . 1 . 2]"
1 38 SER 0.202 0.010 6 0 "[ . 1 . 2]"
1 39 ASN 0.381 0.018 12 0 "[ . 1 . 2]"
1 40 ASP 0.240 0.018 12 0 "[ . 1 . 2]"
1 41 MET 0.248 0.018 9 0 "[ . 1 . 2]"
1 42 TYR 1.958 0.203 12 0 "[ . 1 . 2]"
1 43 HIS 5.791 0.309 8 0 "[ . 1 . 2]"
1 44 SER 0.059 0.011 5 0 "[ . 1 . 2]"
1 45 ARG 0.229 0.066 8 0 "[ . 1 . 2]"
1 46 ALA 5.869 0.244 8 0 "[ . 1 . 2]"
1 47 LEU 4.124 0.213 1 0 "[ . 1 . 2]"
1 48 GLN 3.416 0.213 1 0 "[ . 1 . 2]"
1 49 VAL 2.986 0.111 20 0 "[ . 1 . 2]"
1 50 VAL 0.765 0.070 14 0 "[ . 1 . 2]"
1 51 ARG 0.926 0.070 14 0 "[ . 1 . 2]"
1 52 ALA 0.390 0.031 2 0 "[ . 1 . 2]"
1 53 ARG 1.475 0.330 19 0 "[ . 1 . 2]"
1 54 LYS 1.342 0.036 13 0 "[ . 1 . 2]"
1 55 GLN 0.146 0.010 18 0 "[ . 1 . 2]"
1 56 ILE 0.193 0.039 1 0 "[ . 1 . 2]"
1 57 GLY 0.011 0.004 1 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.043 0.008 9 0 "[ . 1 . 2]"
1 60 VAL 0.066 0.008 18 0 "[ . 1 . 2]"
1 61 ASN 0.016 0.003 15 0 "[ . 1 . 2]"
1 62 TYR 0.400 0.016 6 0 "[ . 1 . 2]"
1 63 PHE 0.682 0.330 19 0 "[ . 1 . 2]"
1 64 LEU 0.363 0.031 2 0 "[ . 1 . 2]"
1 65 ASP 1.524 0.089 11 0 "[ . 1 . 2]"
1 66 VAL 6.784 0.134 18 0 "[ . 1 . 2]"
1 67 GLU 0.475 0.052 17 0 "[ . 1 . 2]"
1 68 LEU 0.189 0.030 15 0 "[ . 1 . 2]"
1 69 GLY 0.187 0.039 8 0 "[ . 1 . 2]"
1 70 ARG 7.842 0.309 8 0 "[ . 1 . 2]"
1 71 THR 0.108 0.025 11 0 "[ . 1 . 2]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 CYS 0.131 0.019 13 0 "[ . 1 . 2]"
1 74 THR 3.455 0.125 11 0 "[ . 1 . 2]"
1 75 LYS 1.817 0.090 8 0 "[ . 1 . 2]"
1 76 THR 1.013 0.037 8 0 "[ . 1 . 2]"
1 77 GLN 0.992 0.037 8 0 "[ . 1 . 2]"
1 78 PRO 2.006 0.125 11 0 "[ . 1 . 2]"
1 79 ASN 0.050 0.012 7 0 "[ . 1 . 2]"
1 80 LEU 1.042 0.071 7 0 "[ . 1 . 2]"
1 81 ASP 0.094 0.010 13 0 "[ . 1 . 2]"
1 82 ASN 0.230 0.015 18 0 "[ . 1 . 2]"
1 83 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 PRO 1.248 0.071 7 0 "[ . 1 . 2]"
1 85 PHE 0.412 0.042 18 0 "[ . 1 . 2]"
1 86 HIS 0.041 0.006 18 0 "[ . 1 . 2]"
1 87 ASP 0.403 0.036 9 0 "[ . 1 . 2]"
1 88 GLN 0.649 0.058 11 0 "[ . 1 . 2]"
1 89 PRO 1.045 0.042 18 0 "[ . 1 . 2]"
1 90 HIS 0.173 0.039 15 0 "[ . 1 . 2]"
1 91 LEU 0.539 0.058 11 0 "[ . 1 . 2]"
1 92 LYS 0.097 0.027 17 0 "[ . 1 . 2]"
1 93 ARG 0.042 0.022 11 0 "[ . 1 . 2]"
1 94 LYS 0.042 0.022 11 0 "[ . 1 . 2]"
1 95 ALA 0.291 0.055 6 0 "[ . 1 . 2]"
1 96 PHE 0.421 0.030 15 0 "[ . 1 . 2]"
1 97 CYS 0.659 0.034 3 0 "[ . 1 . 2]"
1 98 SER 0.315 0.020 17 0 "[ . 1 . 2]"
1 99 PHE 0.050 0.010 3 0 "[ . 1 . 2]"
1 100 GLN 0.175 0.010 3 0 "[ . 1 . 2]"
1 101 ILE 0.542 0.036 15 0 "[ . 1 . 2]"
1 102 TYR 0.228 0.017 2 0 "[ . 1 . 2]"
1 103 ALA 1.426 0.031 10 0 "[ . 1 . 2]"
1 104 VAL 0.961 0.040 16 0 "[ . 1 . 2]"
1 105 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 TRP 0.125 0.016 14 0 "[ . 1 . 2]"
1 107 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLY 0.037 0.004 12 0 "[ . 1 . 2]"
1 109 THR 0.250 0.040 16 0 "[ . 1 . 2]"
1 110 MET 0.413 0.025 14 0 "[ . 1 . 2]"
1 111 THR 0.531 0.017 15 0 "[ . 1 . 2]"
1 112 LEU 0.958 0.057 8 0 "[ . 1 . 2]"
1 113 SER 0.326 0.036 15 0 "[ . 1 . 2]"
1 114 LYS 0.368 0.020 17 0 "[ . 1 . 2]"
1 115 SER 0.075 0.016 12 0 "[ . 1 . 2]"
1 116 THR 0.634 0.065 12 0 "[ . 1 . 2]"
1 117 CYS 0.055 0.006 17 0 "[ . 1 . 2]"
1 118 GLN 0.585 0.065 12 0 "[ . 1 . 2]"
1 119 ASP 0.094 0.017 9 0 "[ . 1 . 2]"
1 120 ALA 0.062 0.017 9 0 "[ . 1 . 2]"
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 SER HA 1 3 PRO QD 3.000 . 3.000 2.321 2.094 2.605 . 0 0 "[ . 1 . 2]" 1
2 1 3 PRO QB 1 4 GLY QA 4.100 . 4.100 3.878 3.472 4.142 0.042 17 0 "[ . 1 . 2]" 1
3 1 5 LYS QB 1 5 LYS QD 2.400 . 2.400 2.191 2.075 2.403 0.003 3 0 "[ . 1 . 2]" 1
4 1 5 LYS QD 1 5 LYS QG 2.500 . 2.500 2.082 2.023 2.122 . 0 0 "[ . 1 . 2]" 1
5 1 5 LYS QG 1 6 PRO QD 4.180 . 4.180 3.796 2.217 4.222 0.042 15 0 "[ . 1 . 2]" 1
6 1 8 ARG H 1 8 ARG QD 5.020 . 5.020 4.504 3.821 5.022 0.002 14 0 "[ . 1 . 2]" 1
7 1 8 ARG QB 1 10 VAL QG 3.820 . 3.820 3.388 2.147 3.905 0.085 1 0 "[ . 1 . 2]" 1
8 1 8 ARG QD 1 10 VAL H 5.290 . 5.290 4.741 3.629 5.301 0.011 14 0 "[ . 1 . 2]" 1
9 1 8 ARG QD 1 10 VAL QG 3.450 . 3.450 2.923 2.181 3.758 0.308 18 0 "[ . 1 . 2]" 1
10 1 8 ARG QG 1 10 VAL QG 2.990 . 2.990 2.606 2.005 3.535 0.545 11 2 "[ . 1+ - 2]" 1
11 1 9 LEU HA 1 9 LEU MD1 4.290 . 4.290 3.469 2.166 3.986 . 0 0 "[ . 1 . 2]" 1
12 1 9 LEU HA 1 9 LEU QD 3.540 . 3.540 2.403 2.091 3.173 . 0 0 "[ . 1 . 2]" 1
13 1 9 LEU HA 1 9 LEU MD2 4.290 . 4.290 2.721 2.192 3.815 . 0 0 "[ . 1 . 2]" 1
14 1 9 LEU HA 1 10 VAL H 3.410 . 3.410 2.310 1.819 3.409 . 0 0 "[ . 1 . 2]" 1
15 1 9 LEU HA 1 10 VAL MG1 4.940 . 4.940 5.032 4.986 5.081 0.141 11 0 "[ . 1 . 2]" 1
16 1 9 LEU HA 1 10 VAL QG 4.300 . 4.300 3.491 2.775 4.190 . 0 0 "[ . 1 . 2]" 1
17 1 9 LEU HA 1 10 VAL MG2 4.940 . 4.940 3.591 2.789 4.494 . 0 0 "[ . 1 . 2]" 1
18 1 9 LEU QB 1 10 VAL H 4.340 . 4.340 3.358 2.585 3.903 . 0 0 "[ . 1 . 2]" 1
19 1 9 LEU QB 1 10 VAL QG 4.320 . 4.320 3.778 2.836 4.520 0.200 13 0 "[ . 1 . 2]" 1
20 1 10 VAL H 1 10 VAL HB 4.110 . 4.110 2.912 1.970 3.301 . 0 0 "[ . 1 . 2]" 1
21 1 10 VAL H 1 10 VAL QG 3.510 . 3.510 2.621 2.358 3.080 . 0 0 "[ . 1 . 2]" 1
22 1 13 PRO HA 1 14 MET H 3.270 . 3.270 2.220 2.131 2.302 . 0 0 "[ . 1 . 2]" 1
23 1 13 PRO HA 1 14 MET QG 4.170 . 4.170 3.814 3.602 4.015 . 0 0 "[ . 1 . 2]" 1
24 1 13 PRO HA 1 54 LYS H 5.150 . 5.150 4.506 4.173 4.780 . 0 0 "[ . 1 . 2]" 1
25 1 13 PRO HA 1 55 GLN H 4.860 . 4.860 4.531 4.261 4.864 0.004 13 0 "[ . 1 . 2]" 1
26 1 13 PRO QB 1 14 MET H 3.760 . 3.760 3.060 2.740 3.380 . 0 0 "[ . 1 . 2]" 1
27 1 13 PRO QB 1 54 LYS H 4.720 . 4.720 4.612 4.197 4.732 0.012 3 0 "[ . 1 . 2]" 1
28 1 13 PRO QB 1 55 GLN HA 4.190 . 4.190 2.858 2.055 3.502 . 0 0 "[ . 1 . 2]" 1
29 1 13 PRO QD 1 55 GLN QB 5.310 . 5.310 4.784 3.951 5.315 0.005 4 0 "[ . 1 . 2]" 1
30 1 13 PRO QG 1 55 GLN QG 4.510 . 4.510 4.156 3.769 4.514 0.004 16 0 "[ . 1 . 2]" 1
31 1 14 MET H 1 14 MET QB 3.530 . 3.530 3.161 3.018 3.231 . 0 0 "[ . 1 . 2]" 1
32 1 14 MET H 1 14 MET QG 3.780 . 3.780 2.469 2.361 2.638 . 0 0 "[ . 1 . 2]" 1
33 1 14 MET H 1 15 ASP H 4.600 . 4.600 4.354 4.271 4.416 . 0 0 "[ . 1 . 2]" 1
34 1 14 MET H 1 54 LYS H 3.830 . 3.830 2.860 2.675 2.995 . 0 0 "[ . 1 . 2]" 1
35 1 14 MET H 1 54 LYS QG 5.500 . 5.500 4.401 2.915 5.508 0.008 16 0 "[ . 1 . 2]" 1
36 1 14 MET HA 1 15 ASP H 3.220 . 3.220 2.287 2.233 2.362 . 0 0 "[ . 1 . 2]" 1
37 1 14 MET QB 1 15 ASP H 3.580 . 3.580 2.894 2.670 3.114 . 0 0 "[ . 1 . 2]" 1
38 1 14 MET QB 1 16 ALA MB 5.370 . 5.370 4.825 4.096 5.166 . 0 0 "[ . 1 . 2]" 1
39 1 14 MET QB 1 54 LYS H 5.320 . 5.320 4.780 4.613 4.945 . 0 0 "[ . 1 . 2]" 1
40 1 14 MET QG 1 15 ASP H 4.520 . 4.520 3.861 3.603 4.101 . 0 0 "[ . 1 . 2]" 1
41 1 14 MET QG 1 15 ASP HA 4.190 . 4.190 4.105 3.917 4.196 0.006 14 0 "[ . 1 . 2]" 1
42 1 14 MET QG 1 16 ALA H 4.730 . 4.730 4.599 4.148 4.736 0.006 15 0 "[ . 1 . 2]" 1
43 1 14 MET QG 1 16 ALA MB 4.100 . 4.100 3.510 2.945 3.795 . 0 0 "[ . 1 . 2]" 1
44 1 14 MET QG 1 54 LYS H 4.610 . 4.610 3.298 3.004 3.615 . 0 0 "[ . 1 . 2]" 1
45 1 14 MET QG 1 54 LYS QG 4.360 . 4.360 3.354 2.110 4.380 0.020 18 0 "[ . 1 . 2]" 1
46 1 15 ASP H 1 15 ASP QB 3.510 . 3.510 2.287 2.223 2.407 . 0 0 "[ . 1 . 2]" 1
47 1 15 ASP HA 1 16 ALA H 2.940 . 2.940 2.277 2.176 2.419 . 0 0 "[ . 1 . 2]" 1
48 1 15 ASP HA 1 53 ARG HA 3.770 . 3.770 2.047 1.945 2.246 . 0 0 "[ . 1 . 2]" 1
49 1 15 ASP HA 1 53 ARG QG 4.030 . 4.030 3.988 2.936 4.057 0.027 9 0 "[ . 1 . 2]" 1
50 1 15 ASP HA 1 54 LYS H 4.060 . 4.060 3.275 3.097 3.456 . 0 0 "[ . 1 . 2]" 1
51 1 15 ASP QB 1 52 ALA H 4.700 . 4.700 4.126 3.654 4.454 . 0 0 "[ . 1 . 2]" 1
52 1 15 ASP QB 1 53 ARG QD 5.100 . 5.100 4.664 4.236 5.108 0.008 18 0 "[ . 1 . 2]" 1
53 1 16 ALA H 1 16 ALA MB 3.200 . 3.200 2.416 2.207 2.526 . 0 0 "[ . 1 . 2]" 1
54 1 16 ALA H 1 20 GLU QB 5.500 . 5.500 5.481 5.384 5.516 0.016 3 0 "[ . 1 . 2]" 1
55 1 16 ALA H 1 52 ALA H 4.950 . 4.950 4.413 4.138 4.783 . 0 0 "[ . 1 . 2]" 1
56 1 16 ALA H 1 53 ARG H 5.480 . 5.480 4.518 4.358 4.663 . 0 0 "[ . 1 . 2]" 1
57 1 16 ALA H 1 53 ARG HA 3.510 . 3.510 2.406 2.292 2.741 . 0 0 "[ . 1 . 2]" 1
58 1 16 ALA H 1 53 ARG QB 4.650 . 4.650 3.592 3.358 4.671 0.021 19 0 "[ . 1 . 2]" 1
59 1 16 ALA H 1 54 LYS H 4.320 . 4.320 4.316 4.213 4.330 0.010 8 0 "[ . 1 . 2]" 1
60 1 16 ALA H 1 54 LYS QD 4.100 . 4.100 3.369 3.202 3.785 . 0 0 "[ . 1 . 2]" 1
61 1 16 ALA H 1 54 LYS QE 4.180 . 4.180 3.861 2.980 4.191 0.011 6 0 "[ . 1 . 2]" 1
62 1 16 ALA H 1 54 LYS QG 5.270 . 5.270 5.257 5.138 5.281 0.011 11 0 "[ . 1 . 2]" 1
63 1 16 ALA HA 1 17 SER H 3.090 . 3.090 2.319 2.246 2.410 . 0 0 "[ . 1 . 2]" 1
64 1 16 ALA HA 1 20 GLU QG 4.460 . 4.460 4.473 4.466 4.478 0.018 9 0 "[ . 1 . 2]" 1
65 1 16 ALA HA 1 23 VAL QG 4.160 . 4.160 4.057 3.919 4.182 0.022 11 0 "[ . 1 . 2]" 1
66 1 16 ALA MB 1 17 SER H 3.310 . 3.310 2.495 2.366 2.627 . 0 0 "[ . 1 . 2]" 1
67 1 16 ALA MB 1 20 GLU QB 3.760 . 3.760 2.316 2.065 2.441 . 0 0 "[ . 1 . 2]" 1
68 1 16 ALA MB 1 23 VAL H 4.060 . 4.060 4.078 4.069 4.092 0.032 3 0 "[ . 1 . 2]" 1
69 1 16 ALA MB 1 23 VAL QG 2.400 . 2.400 1.972 1.906 2.020 . 0 0 "[ . 1 . 2]" 1
70 1 16 ALA MB 1 54 LYS QD 2.830 . 2.830 2.099 2.032 2.183 . 0 0 "[ . 1 . 2]" 1
71 1 16 ALA MB 1 54 LYS QE 3.290 . 3.290 2.048 1.891 2.276 . 0 0 "[ . 1 . 2]" 1
72 1 17 SER H 1 17 SER QB 3.740 . 3.740 2.608 2.279 2.821 . 0 0 "[ . 1 . 2]" 1
73 1 17 SER H 1 20 GLU H 4.290 . 4.290 3.783 3.596 3.973 . 0 0 "[ . 1 . 2]" 1
74 1 17 SER H 1 20 GLU QB 4.100 . 4.100 3.167 2.825 3.448 . 0 0 "[ . 1 . 2]" 1
75 1 17 SER H 1 23 VAL QG 4.660 . 4.660 3.703 3.505 3.870 . 0 0 "[ . 1 . 2]" 1
76 1 17 SER H 1 54 LYS QD 5.500 . 5.500 5.521 5.500 5.536 0.036 13 0 "[ . 1 . 2]" 1
77 1 17 SER H 1 54 LYS QE 5.500 . 5.500 5.390 5.045 5.510 0.010 9 0 "[ . 1 . 2]" 1
78 1 17 SER HA 1 18 VAL H 2.830 . 2.830 2.394 2.365 2.434 . 0 0 "[ . 1 . 2]" 1
79 1 17 SER HA 1 18 VAL MG1 3.860 . 3.860 3.614 3.530 3.706 . 0 0 "[ . 1 . 2]" 1
80 1 17 SER HA 1 19 GLU H 4.170 . 4.170 3.871 3.646 3.976 . 0 0 "[ . 1 . 2]" 1
81 1 17 SER HA 1 20 GLU H 4.610 . 4.610 4.464 4.183 4.586 . 0 0 "[ . 1 . 2]" 1
82 1 17 SER QB 1 18 VAL H 3.690 . 3.690 2.759 2.532 3.378 . 0 0 "[ . 1 . 2]" 1
83 1 17 SER QB 1 18 VAL MG2 4.230 . 4.230 3.708 3.478 4.241 0.011 11 0 "[ . 1 . 2]" 1
84 1 17 SER QB 1 19 GLU H 4.410 . 4.410 2.527 2.261 3.214 . 0 0 "[ . 1 . 2]" 1
85 1 18 VAL H 1 18 VAL HB 3.720 . 3.720 3.647 3.622 3.666 . 0 0 "[ . 1 . 2]" 1
86 1 18 VAL H 1 18 VAL MG1 2.910 . 2.910 2.041 1.970 2.136 . 0 0 "[ . 1 . 2]" 1
87 1 18 VAL H 1 18 VAL MG2 3.200 . 3.200 2.195 2.085 2.380 . 0 0 "[ . 1 . 2]" 1
88 1 18 VAL H 1 19 GLU H 3.560 . 3.560 2.489 2.358 2.605 . 0 0 "[ . 1 . 2]" 1
89 1 18 VAL H 1 20 GLU H 4.420 . 4.420 4.135 3.912 4.237 . 0 0 "[ . 1 . 2]" 1
90 1 18 VAL H 1 23 VAL QG 3.930 . 3.930 3.940 3.867 3.974 0.044 4 0 "[ . 1 . 2]" 1
91 1 18 VAL HA 1 18 VAL HB 2.980 . 2.980 2.431 2.385 2.461 . 0 0 "[ . 1 . 2]" 1
92 1 18 VAL HA 1 18 VAL MG1 2.980 . 2.980 2.396 2.358 2.462 . 0 0 "[ . 1 . 2]" 1
93 1 18 VAL HA 1 20 GLU H 4.170 . 4.170 3.859 3.611 4.002 . 0 0 "[ . 1 . 2]" 1
94 1 18 VAL HA 1 23 VAL H 5.500 . 5.500 5.485 5.389 5.506 0.006 17 0 "[ . 1 . 2]" 1
95 1 18 VAL HA 1 23 VAL QG 3.080 . 3.080 1.993 1.877 2.199 . 0 0 "[ . 1 . 2]" 1
96 1 18 VAL HA 1 27 LEU HG 4.610 . 4.610 4.600 4.516 4.620 0.010 17 0 "[ . 1 . 2]" 1
97 1 18 VAL MG1 1 19 GLU H 4.050 . 4.050 3.898 3.741 3.989 . 0 0 "[ . 1 . 2]" 1
98 1 18 VAL MG1 1 19 GLU QB 5.350 . 5.350 5.388 5.363 5.409 0.059 1 0 "[ . 1 . 2]" 1
99 1 18 VAL MG1 1 23 VAL QG 3.410 . 3.410 2.991 2.850 3.119 . 0 0 "[ . 1 . 2]" 1
100 1 18 VAL MG2 1 19 GLU H 3.330 . 3.330 2.607 2.514 2.709 . 0 0 "[ . 1 . 2]" 1
101 1 18 VAL MG2 1 19 GLU HA 3.820 . 3.820 3.382 3.297 3.463 . 0 0 "[ . 1 . 2]" 1
102 1 18 VAL MG2 1 19 GLU QB 4.210 . 4.210 3.776 3.542 3.947 . 0 0 "[ . 1 . 2]" 1
103 1 18 VAL MG2 1 19 GLU QG 4.340 . 4.340 2.738 2.273 3.548 . 0 0 "[ . 1 . 2]" 1
104 1 19 GLU H 1 19 GLU QB 3.270 . 3.270 2.207 2.063 2.386 . 0 0 "[ . 1 . 2]" 1
105 1 19 GLU H 1 19 GLU QG 4.110 . 4.110 2.847 2.404 3.319 . 0 0 "[ . 1 . 2]" 1
106 1 19 GLU H 1 20 GLU H 3.190 . 3.190 2.508 2.332 2.669 . 0 0 "[ . 1 . 2]" 1
107 1 19 GLU H 1 23 VAL QG 4.660 . 4.660 4.288 4.168 4.449 . 0 0 "[ . 1 . 2]" 1
108 1 19 GLU HA 1 19 GLU QG 3.430 . 3.430 2.342 2.139 2.917 . 0 0 "[ . 1 . 2]" 1
109 1 19 GLU HA 1 24 ARG QG 4.560 . 4.560 3.261 2.581 3.886 . 0 0 "[ . 1 . 2]" 1
110 1 19 GLU QB 1 20 GLU H 3.900 . 3.900 2.957 2.761 3.319 . 0 0 "[ . 1 . 2]" 1
111 1 19 GLU QG 1 24 ARG QD 4.280 . 4.280 4.286 4.149 4.314 0.034 1 0 "[ . 1 . 2]" 1
112 1 20 GLU H 1 20 GLU QB 2.800 . 2.800 2.341 2.294 2.380 . 0 0 "[ . 1 . 2]" 1
113 1 20 GLU H 1 20 GLU QG 4.200 . 4.200 3.450 2.736 3.653 . 0 0 "[ . 1 . 2]" 1
114 1 20 GLU H 1 23 VAL H 4.890 . 4.890 4.502 4.318 4.648 . 0 0 "[ . 1 . 2]" 1
115 1 20 GLU H 1 23 VAL MG1 4.520 . 4.520 4.377 4.012 4.531 0.011 16 0 "[ . 1 . 2]" 1
116 1 20 GLU H 1 23 VAL QG 3.690 . 3.690 3.513 3.350 3.673 . 0 0 "[ . 1 . 2]" 1
117 1 20 GLU H 1 23 VAL MG2 4.520 . 4.520 3.701 3.546 3.885 . 0 0 "[ . 1 . 2]" 1
118 1 20 GLU HA 1 20 GLU QB 2.770 . 2.770 2.475 2.460 2.484 . 0 0 "[ . 1 . 2]" 1
119 1 20 GLU HA 1 20 GLU QG 3.270 . 3.270 1.889 1.836 2.037 . 0 0 "[ . 1 . 2]" 1
120 1 20 GLU HA 1 21 GLU HA 4.440 . 4.440 3.887 3.815 3.967 . 0 0 "[ . 1 . 2]" 1
121 1 20 GLU HA 1 21 GLU QG 4.550 . 4.550 3.807 3.245 4.551 0.001 10 0 "[ . 1 . 2]" 1
122 1 20 GLU HA 1 23 VAL H 4.760 . 4.760 4.228 4.079 4.384 . 0 0 "[ . 1 . 2]" 1
123 1 20 GLU QB 1 21 GLU H 4.050 . 4.050 2.784 2.564 3.102 . 0 0 "[ . 1 . 2]" 1
124 1 20 GLU QB 1 22 GLY H 4.240 . 4.240 2.268 2.136 2.604 . 0 0 "[ . 1 . 2]" 1
125 1 20 GLU QB 1 23 VAL H 3.300 . 3.300 2.393 2.011 2.738 . 0 0 "[ . 1 . 2]" 1
126 1 20 GLU QB 1 23 VAL QG 2.590 . 2.590 2.288 2.163 2.391 . 0 0 "[ . 1 . 2]" 1
127 1 20 GLU QB 1 24 ARG H 4.810 . 4.810 3.969 3.719 4.163 . 0 0 "[ . 1 . 2]" 1
128 1 20 GLU QB 1 24 ARG QG 4.790 . 4.790 4.437 4.294 4.587 . 0 0 "[ . 1 . 2]" 1
129 1 20 GLU QG 1 21 GLU HA 4.810 . 4.810 4.891 4.875 4.904 0.094 17 0 "[ . 1 . 2]" 1
130 1 20 GLU QG 1 23 VAL QG 4.140 . 4.140 3.776 3.450 3.986 . 0 0 "[ . 1 . 2]" 1
131 1 21 GLU H 1 24 ARG QG 4.620 . 4.620 4.559 4.086 4.640 0.020 1 0 "[ . 1 . 2]" 1
132 1 21 GLU HA 1 21 GLU QG 3.560 . 3.560 2.515 2.196 3.501 . 0 0 "[ . 1 . 2]" 1
133 1 21 GLU HA 1 23 VAL H 4.270 . 4.270 3.830 3.555 4.095 . 0 0 "[ . 1 . 2]" 1
134 1 21 GLU HA 1 24 ARG QB 3.220 . 3.220 2.726 2.174 3.137 . 0 0 "[ . 1 . 2]" 1
135 1 21 GLU HA 1 24 ARG QD 4.610 . 4.610 3.609 2.352 4.617 0.007 18 0 "[ . 1 . 2]" 1
136 1 21 GLU QG 1 24 ARG QD 4.880 . 4.880 4.383 2.554 4.931 0.051 11 0 "[ . 1 . 2]" 1
137 1 22 GLY H 1 23 VAL H 4.390 . 4.390 2.616 2.558 2.694 . 0 0 "[ . 1 . 2]" 1
138 1 22 GLY H 1 23 VAL QG 4.150 . 4.150 4.064 3.937 4.156 0.006 17 0 "[ . 1 . 2]" 1
139 1 22 GLY H 1 24 ARG QB 5.460 . 5.460 5.282 4.911 5.464 0.004 19 0 "[ . 1 . 2]" 1
140 1 22 GLY QA 1 25 ARG H 4.260 . 4.260 4.037 3.826 4.233 . 0 0 "[ . 1 . 2]" 1
141 1 23 VAL H 1 23 VAL HB 3.620 . 3.620 2.424 2.333 2.487 . 0 0 "[ . 1 . 2]" 1
142 1 23 VAL H 1 23 VAL MG1 3.800 . 3.800 3.757 3.690 3.801 0.001 13 0 "[ . 1 . 2]" 1
143 1 23 VAL H 1 23 VAL QG 3.100 . 3.100 2.422 2.291 2.484 . 0 0 "[ . 1 . 2]" 1
144 1 23 VAL H 1 23 VAL MG2 3.800 . 3.800 2.453 2.311 2.521 . 0 0 "[ . 1 . 2]" 1
145 1 23 VAL H 1 24 ARG H 3.370 . 3.370 2.423 2.264 2.544 . 0 0 "[ . 1 . 2]" 1
146 1 23 VAL H 1 24 ARG QB 4.480 . 4.480 4.388 4.209 4.485 0.005 20 0 "[ . 1 . 2]" 1
147 1 23 VAL H 1 24 ARG QG 4.300 . 4.300 4.020 3.850 4.217 . 0 0 "[ . 1 . 2]" 1
148 1 23 VAL H 1 25 ARG H 4.340 . 4.340 4.133 4.028 4.251 . 0 0 "[ . 1 . 2]" 1
149 1 23 VAL H 1 26 ALA H 5.500 . 5.500 4.945 4.842 5.067 . 0 0 "[ . 1 . 2]" 1
150 1 23 VAL H 1 27 LEU HG 5.500 . 5.500 5.489 5.423 5.507 0.007 3 0 "[ . 1 . 2]" 1
151 1 23 VAL HA 1 23 VAL MG1 3.340 . 3.340 2.429 2.346 2.541 . 0 0 "[ . 1 . 2]" 1
152 1 23 VAL HA 1 23 VAL QG 2.870 . 2.870 2.116 2.077 2.164 . 0 0 "[ . 1 . 2]" 1
153 1 23 VAL HA 1 23 VAL MG2 3.340 . 3.340 2.330 2.248 2.383 . 0 0 "[ . 1 . 2]" 1
154 1 23 VAL HA 1 25 ARG QG 4.110 . 4.110 4.114 4.055 4.126 0.016 4 0 "[ . 1 . 2]" 1
155 1 23 VAL HA 1 26 ALA H 3.880 . 3.880 3.490 3.358 3.568 . 0 0 "[ . 1 . 2]" 1
156 1 23 VAL HA 1 26 ALA MB 3.610 . 3.610 2.737 2.518 2.896 . 0 0 "[ . 1 . 2]" 1
157 1 23 VAL HA 1 27 LEU H 4.430 . 4.430 4.121 4.008 4.194 . 0 0 "[ . 1 . 2]" 1
158 1 23 VAL HA 1 27 LEU HG 4.480 . 4.480 4.152 3.971 4.329 . 0 0 "[ . 1 . 2]" 1
159 1 23 VAL HB 1 24 ARG H 4.210 . 4.210 2.512 2.388 2.605 . 0 0 "[ . 1 . 2]" 1
160 1 23 VAL HB 1 26 ALA H 5.500 . 5.500 5.463 5.371 5.502 0.002 7 0 "[ . 1 . 2]" 1
161 1 23 VAL HB 1 27 LEU HG 4.120 . 4.120 4.123 4.120 4.125 0.005 13 0 "[ . 1 . 2]" 1
162 1 23 VAL QG 1 24 ARG H 3.420 . 3.420 3.085 2.976 3.190 . 0 0 "[ . 1 . 2]" 1
163 1 23 VAL QG 1 24 ARG QB 4.700 . 4.700 4.391 4.271 4.485 . 0 0 "[ . 1 . 2]" 1
164 1 23 VAL QG 1 24 ARG QD 5.200 . 5.200 4.730 3.510 5.208 0.008 8 0 "[ . 1 . 2]" 1
165 1 23 VAL QG 1 24 ARG QG 3.850 . 3.850 3.504 3.190 3.889 0.039 18 0 "[ . 1 . 2]" 1
166 1 23 VAL QG 1 25 ARG QG 5.160 . 5.160 4.731 4.668 4.767 . 0 0 "[ . 1 . 2]" 1
167 1 23 VAL QG 1 26 ALA H 5.100 . 5.100 4.125 4.041 4.220 . 0 0 "[ . 1 . 2]" 1
168 1 23 VAL QG 1 27 LEU HG 3.820 . 3.820 2.126 2.005 2.259 . 0 0 "[ . 1 . 2]" 1
169 1 23 VAL MG1 1 24 ARG H 3.930 . 3.930 3.245 3.094 3.388 . 0 0 "[ . 1 . 2]" 1
170 1 23 VAL MG2 1 24 ARG H 3.930 . 3.930 3.866 3.764 3.935 0.005 17 0 "[ . 1 . 2]" 1
171 1 24 ARG H 1 24 ARG QB 3.150 . 3.150 2.471 2.402 2.606 . 0 0 "[ . 1 . 2]" 1
172 1 24 ARG H 1 24 ARG QD 3.960 . 3.960 3.815 3.422 3.983 0.023 19 0 "[ . 1 . 2]" 1
173 1 24 ARG H 1 24 ARG QG 3.480 . 3.480 2.161 1.945 2.363 . 0 0 "[ . 1 . 2]" 1
174 1 24 ARG H 1 25 ARG H 3.410 . 3.410 2.958 2.902 3.007 . 0 0 "[ . 1 . 2]" 1
175 1 24 ARG H 1 25 ARG QG 4.520 . 4.520 4.319 4.190 4.499 . 0 0 "[ . 1 . 2]" 1
176 1 24 ARG H 1 26 ALA H 4.250 . 4.250 4.221 4.149 4.256 0.006 20 0 "[ . 1 . 2]" 1
177 1 24 ARG H 1 26 ALA MB 5.210 . 5.210 4.978 4.905 5.061 . 0 0 "[ . 1 . 2]" 1
178 1 24 ARG HA 1 24 ARG QD 4.570 . 4.570 3.825 2.188 4.283 . 0 0 "[ . 1 . 2]" 1
179 1 24 ARG HA 1 26 ALA H 4.310 . 4.310 4.051 3.920 4.143 . 0 0 "[ . 1 . 2]" 1
180 1 24 ARG HA 1 27 LEU H 3.600 . 3.600 3.245 2.999 3.379 . 0 0 "[ . 1 . 2]" 1
181 1 24 ARG HA 1 27 LEU QB 3.810 . 3.810 2.632 2.428 2.819 . 0 0 "[ . 1 . 2]" 1
182 1 24 ARG QB 1 27 LEU QB 4.210 . 4.210 4.096 3.830 4.220 0.010 4 0 "[ . 1 . 2]" 1
183 1 24 ARG QB 1 27 LEU HG 4.600 . 4.600 4.354 4.170 4.603 0.003 17 0 "[ . 1 . 2]" 1
184 1 25 ARG H 1 25 ARG QG 3.760 . 3.760 2.287 2.153 2.485 . 0 0 "[ . 1 . 2]" 1
185 1 25 ARG H 1 26 ALA H 3.410 . 3.410 2.730 2.652 2.786 . 0 0 "[ . 1 . 2]" 1
186 1 25 ARG H 1 26 ALA MB 4.400 . 4.400 4.358 4.288 4.401 0.001 2 0 "[ . 1 . 2]" 1
187 1 25 ARG H 1 27 LEU HG 5.050 . 5.050 4.931 4.758 5.052 0.002 10 0 "[ . 1 . 2]" 1
188 1 25 ARG HA 1 25 ARG QD 4.370 . 4.370 4.025 3.782 4.380 0.010 15 0 "[ . 1 . 2]" 1
189 1 25 ARG HA 1 25 ARG QG 3.490 . 3.490 3.474 3.416 3.495 0.005 15 0 "[ . 1 . 2]" 1
190 1 25 ARG HA 1 27 LEU H 4.700 . 4.700 4.323 4.219 4.431 . 0 0 "[ . 1 . 2]" 1
191 1 25 ARG HA 1 27 LEU QB 5.500 . 5.500 4.953 4.715 5.110 . 0 0 "[ . 1 . 2]" 1
192 1 25 ARG HA 1 28 ASP H 3.920 . 3.920 3.825 3.636 3.916 . 0 0 "[ . 1 . 2]" 1
193 1 25 ARG HA 1 28 ASP QB 3.560 . 3.560 3.449 3.139 3.567 0.007 3 0 "[ . 1 . 2]" 1
194 1 25 ARG HA 1 29 PHE H 4.040 . 4.040 3.993 3.899 4.043 0.003 11 0 "[ . 1 . 2]" 1
195 1 25 ARG QB 1 26 ALA H 3.610 . 3.610 3.617 3.573 3.629 0.019 18 0 "[ . 1 . 2]" 1
196 1 25 ARG QB 1 26 ALA HA 4.500 . 4.500 4.396 4.237 4.501 0.001 15 0 "[ . 1 . 2]" 1
197 1 25 ARG QB 1 29 PHE H 4.990 . 4.990 4.915 4.760 4.994 0.004 15 0 "[ . 1 . 2]" 1
198 1 25 ARG QB 1 29 PHE QB 4.080 . 4.080 4.095 4.083 4.109 0.029 2 0 "[ . 1 . 2]" 1
199 1 25 ARG QD 1 26 ALA H 4.270 . 4.270 3.153 2.873 3.620 . 0 0 "[ . 1 . 2]" 1
200 1 25 ARG QD 1 26 ALA HA 3.600 . 3.600 2.971 2.687 3.548 . 0 0 "[ . 1 . 2]" 1
201 1 25 ARG QD 1 26 ALA MB 3.520 . 3.520 2.768 2.385 3.162 . 0 0 "[ . 1 . 2]" 1
202 1 25 ARG QD 1 27 LEU H 5.340 . 5.340 4.940 4.691 5.344 0.004 11 0 "[ . 1 . 2]" 1
203 1 25 ARG QG 1 26 ALA MB 4.220 . 4.220 3.164 2.875 3.385 . 0 0 "[ . 1 . 2]" 1
204 1 26 ALA H 1 26 ALA MB 2.860 . 2.860 2.248 2.215 2.266 . 0 0 "[ . 1 . 2]" 1
205 1 26 ALA H 1 27 LEU H 3.340 . 3.340 2.185 2.115 2.242 . 0 0 "[ . 1 . 2]" 1
206 1 26 ALA H 1 27 LEU QB 4.720 . 4.720 4.329 4.243 4.380 . 0 0 "[ . 1 . 2]" 1
207 1 26 ALA H 1 27 LEU HG 4.080 . 4.080 4.080 4.058 4.090 0.010 17 0 "[ . 1 . 2]" 1
208 1 26 ALA H 1 30 ALA H 5.500 . 5.500 5.518 5.515 5.522 0.022 20 0 "[ . 1 . 2]" 1
209 1 26 ALA HA 1 27 LEU QB 5.500 . 5.500 5.432 5.373 5.466 . 0 0 "[ . 1 . 2]" 1
210 1 26 ALA HA 1 29 PHE H 3.810 . 3.810 3.513 3.386 3.596 . 0 0 "[ . 1 . 2]" 1
211 1 26 ALA HA 1 29 PHE QB 3.480 . 3.480 2.316 2.084 2.467 . 0 0 "[ . 1 . 2]" 1
212 1 26 ALA HA 1 30 ALA H 3.960 . 3.960 3.605 3.465 3.717 . 0 0 "[ . 1 . 2]" 1
213 1 26 ALA MB 1 27 LEU H 3.520 . 3.520 2.679 2.591 2.766 . 0 0 "[ . 1 . 2]" 1
214 1 26 ALA MB 1 27 LEU HA 4.200 . 4.200 3.888 3.850 3.960 . 0 0 "[ . 1 . 2]" 1
215 1 26 ALA MB 1 27 LEU HG 4.540 . 4.540 4.060 3.920 4.220 . 0 0 "[ . 1 . 2]" 1
216 1 26 ALA MB 1 29 PHE H 4.660 . 4.660 4.663 4.616 4.681 0.021 20 0 "[ . 1 . 2]" 1
217 1 26 ALA MB 1 29 PHE QB 4.220 . 4.220 3.802 3.620 3.924 . 0 0 "[ . 1 . 2]" 1
218 1 26 ALA MB 1 30 ALA MB 4.700 . 4.700 3.903 3.758 4.058 . 0 0 "[ . 1 . 2]" 1
219 1 26 ALA MB 1 64 LEU QB 4.730 . 4.730 3.793 2.983 4.487 . 0 0 "[ . 1 . 2]" 1
220 1 26 ALA MB 1 64 LEU HG 3.760 . 3.760 3.197 3.025 3.339 . 0 0 "[ . 1 . 2]" 1
221 1 27 LEU H 1 27 LEU QB 3.130 . 3.130 2.536 2.487 2.578 . 0 0 "[ . 1 . 2]" 1
222 1 27 LEU H 1 27 LEU MD2 2.880 . 2.880 2.878 2.771 2.899 0.019 7 0 "[ . 1 . 2]" 1
223 1 27 LEU H 1 27 LEU HG 3.160 . 3.160 2.514 2.415 2.609 . 0 0 "[ . 1 . 2]" 1
224 1 27 LEU H 1 28 ASP H 3.420 . 3.420 2.805 2.664 2.891 . 0 0 "[ . 1 . 2]" 1
225 1 27 LEU H 1 28 ASP HA 5.440 . 5.440 5.387 5.288 5.443 0.003 8 0 "[ . 1 . 2]" 1
226 1 27 LEU H 1 28 ASP QB 4.970 . 4.970 4.748 4.614 4.870 . 0 0 "[ . 1 . 2]" 1
227 1 27 LEU H 1 29 PHE H 4.220 . 4.220 3.931 3.842 4.024 . 0 0 "[ . 1 . 2]" 1
228 1 27 LEU H 1 29 PHE QB 5.500 . 5.500 4.589 4.470 4.710 . 0 0 "[ . 1 . 2]" 1
229 1 27 LEU H 1 30 ALA MB 5.000 . 5.000 4.819 4.735 4.928 . 0 0 "[ . 1 . 2]" 1
230 1 27 LEU H 1 64 LEU HG 4.250 . 4.250 4.199 4.049 4.253 0.003 16 0 "[ . 1 . 2]" 1
231 1 27 LEU HA 1 27 LEU MD2 2.600 . 2.600 2.170 2.120 2.227 . 0 0 "[ . 1 . 2]" 1
232 1 27 LEU HA 1 27 LEU HG 3.630 . 3.630 3.494 3.442 3.577 . 0 0 "[ . 1 . 2]" 1
233 1 27 LEU HA 1 28 ASP HA 4.810 . 4.810 4.673 4.613 4.737 . 0 0 "[ . 1 . 2]" 1
234 1 27 LEU HA 1 29 PHE H 4.800 . 4.800 4.505 4.360 4.603 . 0 0 "[ . 1 . 2]" 1
235 1 27 LEU HA 1 30 ALA H 4.210 . 4.210 3.711 3.503 3.940 . 0 0 "[ . 1 . 2]" 1
236 1 27 LEU HA 1 30 ALA MB 3.400 . 3.400 3.053 2.849 3.295 . 0 0 "[ . 1 . 2]" 1
237 1 27 LEU HA 1 31 VAL H 4.570 . 4.570 4.489 4.342 4.575 0.005 3 0 "[ . 1 . 2]" 1
238 1 27 LEU HA 1 46 ALA MB 4.670 . 4.670 4.631 4.368 4.688 0.018 1 0 "[ . 1 . 2]" 1
239 1 27 LEU HA 1 64 LEU QD 4.680 . 4.680 3.218 2.776 3.812 . 0 0 "[ . 1 . 2]" 1
240 1 27 LEU HA 1 64 LEU HG 3.810 . 3.810 2.914 2.537 3.197 . 0 0 "[ . 1 . 2]" 1
241 1 27 LEU QB 1 27 LEU MD1 3.050 . 3.050 2.069 2.054 2.079 . 0 0 "[ . 1 . 2]" 1
242 1 27 LEU QB 1 28 ASP H 3.480 . 3.480 2.102 2.000 2.232 . 0 0 "[ . 1 . 2]" 1
243 1 27 LEU QB 1 30 ALA MB 5.070 . 5.070 4.464 4.221 4.717 . 0 0 "[ . 1 . 2]" 1
244 1 27 LEU MD2 1 28 ASP H 4.440 . 4.440 4.419 4.373 4.443 0.003 4 0 "[ . 1 . 2]" 1
245 1 27 LEU MD2 1 64 LEU HG 3.450 . 3.450 2.270 2.061 2.616 . 0 0 "[ . 1 . 2]" 1
246 1 27 LEU HG 1 28 ASP H 4.460 . 4.460 4.104 4.006 4.193 . 0 0 "[ . 1 . 2]" 1
247 1 28 ASP H 1 28 ASP QB 2.970 . 2.970 2.343 2.206 2.440 . 0 0 "[ . 1 . 2]" 1
248 1 28 ASP H 1 29 PHE QB 4.280 . 4.280 4.291 4.284 4.294 0.014 20 0 "[ . 1 . 2]" 1
249 1 28 ASP H 1 30 ALA MB 5.190 . 5.190 4.989 4.883 5.142 . 0 0 "[ . 1 . 2]" 1
250 1 28 ASP HA 1 31 VAL H 4.170 . 4.170 3.497 3.340 3.614 . 0 0 "[ . 1 . 2]" 1
251 1 28 ASP HA 1 31 VAL QG 4.010 . 4.010 2.170 2.016 2.545 . 0 0 "[ . 1 . 2]" 1
252 1 28 ASP HA 1 32 GLY QA 5.270 . 5.270 4.844 4.692 5.020 . 0 0 "[ . 1 . 2]" 1
253 1 28 ASP QB 1 29 PHE H 3.310 . 3.310 2.723 2.559 2.924 . 0 0 "[ . 1 . 2]" 1
254 1 28 ASP QB 1 29 PHE HA 4.320 . 4.320 3.970 3.855 4.110 . 0 0 "[ . 1 . 2]" 1
255 1 28 ASP QB 1 30 ALA H 5.240 . 5.240 4.859 4.740 4.936 . 0 0 "[ . 1 . 2]" 1
256 1 28 ASP QB 1 31 VAL H 5.500 . 5.500 5.023 4.918 5.136 . 0 0 "[ . 1 . 2]" 1
257 1 28 ASP QB 1 31 VAL QG 3.750 . 3.750 3.849 3.739 4.294 0.544 8 1 "[ . + 1 . 2]" 1
258 1 28 ASP QB 1 32 GLY H 4.860 . 4.860 4.599 4.530 4.703 . 0 0 "[ . 1 . 2]" 1
259 1 29 PHE H 1 29 PHE QB 2.890 . 2.890 2.217 2.188 2.248 . 0 0 "[ . 1 . 2]" 1
260 1 29 PHE H 1 30 ALA H 3.310 . 3.310 2.678 2.607 2.762 . 0 0 "[ . 1 . 2]" 1
261 1 29 PHE H 1 30 ALA MB 4.630 . 4.630 4.378 4.317 4.453 . 0 0 "[ . 1 . 2]" 1
262 1 29 PHE HA 1 32 GLY H 3.730 . 3.730 3.662 3.367 3.732 0.002 20 0 "[ . 1 . 2]" 1
263 1 29 PHE HA 1 32 GLY QA 4.020 . 4.020 3.616 2.956 3.774 . 0 0 "[ . 1 . 2]" 1
264 1 29 PHE QB 1 30 ALA H 3.090 . 3.090 2.430 2.384 2.525 . 0 0 "[ . 1 . 2]" 1
265 1 30 ALA H 1 30 ALA MB 2.900 . 2.900 2.259 2.242 2.286 . 0 0 "[ . 1 . 2]" 1
266 1 30 ALA HA 1 33 GLU H 3.770 . 3.770 3.536 3.250 3.628 . 0 0 "[ . 1 . 2]" 1
267 1 30 ALA HA 1 34 TYR H 4.510 . 4.510 4.171 4.084 4.401 . 0 0 "[ . 1 . 2]" 1
268 1 30 ALA HA 1 112 LEU QB 4.960 . 4.960 4.829 4.115 4.974 0.014 8 0 "[ . 1 . 2]" 1
269 1 30 ALA HA 1 112 LEU MD1 3.810 . 3.810 3.299 2.762 3.559 . 0 0 "[ . 1 . 2]" 1
270 1 30 ALA HA 1 112 LEU MD2 4.080 . 4.080 3.750 3.415 4.085 0.005 19 0 "[ . 1 . 2]" 1
271 1 30 ALA MB 1 31 VAL H 3.070 . 3.070 2.511 2.424 2.708 . 0 0 "[ . 1 . 2]" 1
272 1 30 ALA MB 1 31 VAL QG 3.160 . 3.160 2.901 2.780 2.994 . 0 0 "[ . 1 . 2]" 1
273 1 30 ALA MB 1 32 GLY H 4.300 . 4.300 4.301 4.170 4.312 0.012 19 0 "[ . 1 . 2]" 1
274 1 30 ALA MB 1 33 GLU H 4.670 . 4.670 4.476 4.236 4.548 . 0 0 "[ . 1 . 2]" 1
275 1 30 ALA MB 1 64 LEU H 5.500 . 5.500 5.393 4.908 5.512 0.012 8 0 "[ . 1 . 2]" 1
276 1 30 ALA MB 1 64 LEU QD 3.770 . 3.770 2.761 2.290 3.132 . 0 0 "[ . 1 . 2]" 1
277 1 30 ALA MB 1 64 LEU HG 4.260 . 4.260 3.610 3.263 3.844 . 0 0 "[ . 1 . 2]" 1
278 1 30 ALA MB 1 99 PHE H 5.500 . 5.500 5.017 4.786 5.166 . 0 0 "[ . 1 . 2]" 1
279 1 30 ALA MB 1 99 PHE HA 5.100 . 5.100 4.742 4.643 4.849 . 0 0 "[ . 1 . 2]" 1
280 1 30 ALA MB 1 100 GLN H 5.500 . 5.500 5.458 5.200 5.510 0.010 3 0 "[ . 1 . 2]" 1
281 1 30 ALA MB 1 112 LEU MD1 3.480 . 3.480 3.432 3.074 3.537 0.057 8 0 "[ . 1 . 2]" 1
282 1 31 VAL H 1 31 VAL HB 3.740 . 3.740 2.990 2.736 3.034 . 0 0 "[ . 1 . 2]" 1
283 1 31 VAL H 1 31 VAL QG 2.850 . 2.850 1.591 1.560 1.628 . 0 0 "[ . 1 . 2]" 1
284 1 31 VAL H 1 32 GLY H 3.370 . 3.370 2.294 2.109 2.375 . 0 0 "[ . 1 . 2]" 1
285 1 31 VAL H 1 32 GLY QA 4.770 . 4.770 4.220 4.048 4.285 . 0 0 "[ . 1 . 2]" 1
286 1 31 VAL H 1 34 TYR H 4.660 . 4.660 4.447 4.210 4.525 . 0 0 "[ . 1 . 2]" 1
287 1 31 VAL H 1 35 ASN QB 5.500 . 5.500 5.521 5.512 5.572 0.072 8 0 "[ . 1 . 2]" 1
288 1 31 VAL H 1 46 ALA MB 4.720 . 4.720 4.437 4.340 4.566 . 0 0 "[ . 1 . 2]" 1
289 1 31 VAL HA 1 31 VAL QG 2.650 . 2.650 2.163 2.089 2.195 . 0 0 "[ . 1 . 2]" 1
290 1 31 VAL HA 1 32 GLY QA 4.600 . 4.600 4.467 4.379 4.488 . 0 0 "[ . 1 . 2]" 1
291 1 31 VAL HA 1 33 GLU H 4.750 . 4.750 4.053 3.493 4.206 . 0 0 "[ . 1 . 2]" 1
292 1 31 VAL HA 1 34 TYR QB 3.160 . 3.160 2.694 2.130 2.879 . 0 0 "[ . 1 . 2]" 1
293 1 31 VAL HA 1 35 ASN H 4.220 . 4.220 2.841 2.496 2.922 . 0 0 "[ . 1 . 2]" 1
294 1 31 VAL HA 1 35 ASN HA 5.380 . 5.380 5.361 5.315 5.383 0.003 17 0 "[ . 1 . 2]" 1
295 1 31 VAL HA 1 36 LYS QB 5.220 . 5.220 5.216 5.131 5.257 0.037 8 0 "[ . 1 . 2]" 1
296 1 31 VAL HA 1 46 ALA H 5.500 . 5.500 4.634 4.155 4.941 . 0 0 "[ . 1 . 2]" 1
297 1 31 VAL HA 1 46 ALA MB 5.120 . 5.120 4.200 4.036 4.632 . 0 0 "[ . 1 . 2]" 1
298 1 31 VAL HB 1 32 GLY H 3.750 . 3.750 2.555 2.477 2.925 . 0 0 "[ . 1 . 2]" 1
299 1 31 VAL HB 1 35 ASN QB 4.240 . 4.240 3.833 3.772 3.892 . 0 0 "[ . 1 . 2]" 1
300 1 31 VAL HB 1 36 LYS H 4.370 . 4.370 4.364 4.286 4.377 0.007 8 0 "[ . 1 . 2]" 1
301 1 31 VAL HB 1 46 ALA MB 4.290 . 4.290 4.514 4.499 4.534 0.244 8 0 "[ . 1 . 2]" 1
302 1 31 VAL QG 1 32 GLY H 3.970 . 3.970 2.476 2.373 2.921 . 0 0 "[ . 1 . 2]" 1
303 1 31 VAL QG 1 32 GLY QA 4.500 . 4.500 3.545 3.480 3.867 . 0 0 "[ . 1 . 2]" 1
304 1 31 VAL QG 1 33 GLU H 4.280 . 4.280 4.142 4.085 4.164 . 0 0 "[ . 1 . 2]" 1
305 1 31 VAL QG 1 34 TYR QB 4.280 . 4.280 3.768 2.821 3.985 . 0 0 "[ . 1 . 2]" 1
306 1 31 VAL QG 1 35 ASN H 4.280 . 4.280 3.378 2.801 3.557 . 0 0 "[ . 1 . 2]" 1
307 1 31 VAL QG 1 35 ASN QB 3.790 . 3.790 2.075 1.879 2.190 . 0 0 "[ . 1 . 2]" 1
308 1 31 VAL QG 1 45 ARG HA 3.560 . 3.560 2.338 2.048 2.584 . 0 0 "[ . 1 . 2]" 1
309 1 31 VAL QG 1 45 ARG QD 5.220 . 5.220 3.890 2.056 4.749 . 0 0 "[ . 1 . 2]" 1
310 1 31 VAL QG 1 46 ALA H 3.310 . 3.310 1.973 1.769 2.140 . 0 0 "[ . 1 . 2]" 1
311 1 32 GLY H 1 35 ASN H 5.090 . 5.090 4.849 4.824 4.893 . 0 0 "[ . 1 . 2]" 1
312 1 32 GLY H 1 35 ASN QB 5.380 . 5.380 5.121 5.082 5.383 0.003 8 0 "[ . 1 . 2]" 1
313 1 32 GLY QA 1 33 GLU H 3.440 . 3.440 2.745 2.706 2.756 . 0 0 "[ . 1 . 2]" 1
314 1 32 GLY QA 1 33 GLU QB 4.420 . 4.420 4.064 4.005 4.442 0.022 16 0 "[ . 1 . 2]" 1
315 1 33 GLU H 1 33 GLU QB 3.370 . 3.370 2.311 2.229 2.370 . 0 0 "[ . 1 . 2]" 1
316 1 33 GLU H 1 33 GLU QG 4.190 . 4.190 3.978 2.620 4.069 . 0 0 "[ . 1 . 2]" 1
317 1 33 GLU H 1 34 TYR H 3.350 . 3.350 2.257 2.206 2.280 . 0 0 "[ . 1 . 2]" 1
318 1 33 GLU H 1 34 TYR HA 4.890 . 4.890 4.906 4.902 4.908 0.018 9 0 "[ . 1 . 2]" 1
319 1 33 GLU HA 1 33 GLU QG 3.140 . 3.140 2.329 1.987 2.496 . 0 0 "[ . 1 . 2]" 1
320 1 33 GLU HA 1 35 ASN H 5.500 . 5.500 5.229 5.177 5.288 . 0 0 "[ . 1 . 2]" 1
321 1 33 GLU HA 1 37 ALA H 4.330 . 4.330 3.758 3.683 3.839 . 0 0 "[ . 1 . 2]" 1
322 1 33 GLU HA 1 37 ALA HA 4.510 . 4.510 4.519 4.516 4.522 0.012 12 0 "[ . 1 . 2]" 1
323 1 33 GLU HA 1 37 ALA MB 3.250 . 3.250 2.092 2.071 2.124 . 0 0 "[ . 1 . 2]" 1
324 1 33 GLU QB 1 34 TYR H 4.550 . 4.550 2.879 2.762 2.942 . 0 0 "[ . 1 . 2]" 1
325 1 33 GLU QB 1 37 ALA MB 3.800 . 3.800 3.875 3.612 3.915 0.115 4 0 "[ . 1 . 2]" 1
326 1 33 GLU QG 1 34 TYR H 4.010 . 4.010 4.021 4.006 4.048 0.038 16 0 "[ . 1 . 2]" 1
327 1 33 GLU QG 1 37 ALA MB 3.460 . 3.460 3.212 3.058 3.502 0.042 16 0 "[ . 1 . 2]" 1
328 1 34 TYR H 1 34 TYR QB 3.180 . 3.180 2.416 2.360 2.453 . 0 0 "[ . 1 . 2]" 1
329 1 34 TYR H 1 35 ASN H 3.420 . 3.420 2.515 2.462 2.584 . 0 0 "[ . 1 . 2]" 1
330 1 34 TYR H 1 35 ASN QB 4.670 . 4.670 4.305 4.236 4.411 . 0 0 "[ . 1 . 2]" 1
331 1 34 TYR H 1 36 LYS H 4.580 . 4.580 3.942 3.906 3.962 . 0 0 "[ . 1 . 2]" 1
332 1 34 TYR H 1 36 LYS QD 5.410 . 5.410 5.434 5.427 5.445 0.035 12 0 "[ . 1 . 2]" 1
333 1 34 TYR H 1 37 ALA MB 3.880 . 3.880 3.879 3.838 3.890 0.010 18 0 "[ . 1 . 2]" 1
334 1 34 TYR H 1 38 SER H 5.400 . 5.400 5.408 5.404 5.410 0.010 6 0 "[ . 1 . 2]" 1
335 1 34 TYR HA 1 37 ALA MB 3.470 . 3.470 3.481 3.471 3.498 0.028 8 0 "[ . 1 . 2]" 1
336 1 34 TYR QB 1 35 ASN H 4.290 . 4.290 2.212 2.094 2.255 . 0 0 "[ . 1 . 2]" 1
337 1 35 ASN H 1 35 ASN QB 3.200 . 3.200 2.145 2.095 2.237 . 0 0 "[ . 1 . 2]" 1
338 1 35 ASN H 1 36 LYS H 3.710 . 3.710 2.493 2.453 2.754 . 0 0 "[ . 1 . 2]" 1
339 1 35 ASN H 1 37 ALA H 4.540 . 4.540 3.589 3.550 3.647 . 0 0 "[ . 1 . 2]" 1
340 1 35 ASN H 1 37 ALA MB 4.770 . 4.770 4.436 4.405 4.460 . 0 0 "[ . 1 . 2]" 1
341 1 35 ASN H 1 38 SER H 4.550 . 4.550 4.413 4.390 4.441 . 0 0 "[ . 1 . 2]" 1
342 1 35 ASN HA 1 38 SER H 4.170 . 4.170 3.541 2.955 3.646 . 0 0 "[ . 1 . 2]" 1
343 1 35 ASN QB 1 36 LYS H 3.500 . 3.500 2.344 2.280 2.710 . 0 0 "[ . 1 . 2]" 1
344 1 35 ASN QB 1 36 LYS HA 4.090 . 4.090 3.789 3.708 3.838 . 0 0 "[ . 1 . 2]" 1
345 1 35 ASN QB 1 37 ALA H 4.300 . 4.300 4.304 4.300 4.317 0.017 8 0 "[ . 1 . 2]" 1
346 1 35 ASN QB 1 38 SER H 4.790 . 4.790 4.737 4.690 4.789 . 0 0 "[ . 1 . 2]" 1
347 1 35 ASN QB 1 45 ARG H 5.500 . 5.500 4.986 4.639 5.566 0.066 8 0 "[ . 1 . 2]" 1
348 1 35 ASN QB 1 46 ALA H 4.970 . 4.970 4.731 4.285 4.976 0.006 12 0 "[ . 1 . 2]" 1
349 1 36 LYS H 1 36 LYS QB 2.960 . 2.960 2.132 2.102 2.151 . 0 0 "[ . 1 . 2]" 1
350 1 36 LYS H 1 37 ALA H 3.290 . 3.290 2.515 2.471 2.584 . 0 0 "[ . 1 . 2]" 1
351 1 36 LYS H 1 37 ALA MB 4.590 . 4.590 4.195 4.154 4.259 . 0 0 "[ . 1 . 2]" 1
352 1 36 LYS HA 1 36 LYS QB 2.660 . 2.660 2.313 2.294 2.328 . 0 0 "[ . 1 . 2]" 1
353 1 36 LYS HA 1 36 LYS QD 3.780 . 3.780 3.774 3.618 3.792 0.012 5 0 "[ . 1 . 2]" 1
354 1 36 LYS QB 1 37 ALA H 3.230 . 3.230 2.790 2.756 2.898 . 0 0 "[ . 1 . 2]" 1
355 1 36 LYS QB 1 37 ALA MB 3.910 . 3.910 3.940 3.922 3.945 0.035 5 0 "[ . 1 . 2]" 1
356 1 36 LYS QB 1 38 SER H 5.040 . 5.040 4.670 4.605 4.915 . 0 0 "[ . 1 . 2]" 1
357 1 36 LYS QD 1 37 ALA MB 3.260 . 3.260 3.146 3.056 3.219 . 0 0 "[ . 1 . 2]" 1
358 1 36 LYS QE 1 37 ALA HA 4.230 . 4.230 3.379 2.327 4.176 . 0 0 "[ . 1 . 2]" 1
359 1 37 ALA H 1 37 ALA MB 2.550 . 2.550 2.206 2.193 2.236 . 0 0 "[ . 1 . 2]" 1
360 1 37 ALA MB 1 38 SER H 2.970 . 2.970 2.639 2.602 2.663 . 0 0 "[ . 1 . 2]" 1
361 1 37 ALA MB 1 38 SER HA 3.970 . 3.970 3.914 3.833 3.976 0.006 17 0 "[ . 1 . 2]" 1
362 1 38 SER HA 1 39 ASN QB 4.200 . 4.200 4.047 3.984 4.209 0.009 17 0 "[ . 1 . 2]" 1
363 1 38 SER QB 1 39 ASN QB 4.970 . 4.970 4.672 3.961 4.975 0.005 15 0 "[ . 1 . 2]" 1
364 1 39 ASN QB 1 40 ASP H 3.940 . 3.940 3.929 3.627 3.958 0.018 12 0 "[ . 1 . 2]" 1
365 1 39 ASN QB 1 41 MET H 5.500 . 5.500 5.420 4.596 5.510 0.010 14 0 "[ . 1 . 2]" 1
366 1 40 ASP H 1 40 ASP QB 3.250 . 3.250 2.253 2.218 2.284 . 0 0 "[ . 1 . 2]" 1
367 1 40 ASP H 1 41 MET H 4.840 . 4.840 4.541 4.268 4.589 . 0 0 "[ . 1 . 2]" 1
368 1 40 ASP HA 1 41 MET QG 4.530 . 4.530 3.751 3.612 4.123 . 0 0 "[ . 1 . 2]" 1
369 1 40 ASP QB 1 41 MET H 4.340 . 4.340 3.737 3.663 3.997 . 0 0 "[ . 1 . 2]" 1
370 1 41 MET H 1 41 MET QG 3.550 . 3.550 2.243 2.148 2.600 . 0 0 "[ . 1 . 2]" 1
371 1 41 MET H 1 42 TYR H 4.540 . 4.540 2.508 2.153 2.765 . 0 0 "[ . 1 . 2]" 1
372 1 41 MET QB 1 42 TYR H 4.420 . 4.420 2.978 2.301 3.710 . 0 0 "[ . 1 . 2]" 1
373 1 41 MET QB 1 70 ARG QD 5.500 . 5.500 5.481 5.270 5.518 0.018 9 0 "[ . 1 . 2]" 1
374 1 42 TYR H 1 43 HIS H 4.700 . 4.700 4.472 4.160 4.573 . 0 0 "[ . 1 . 2]" 1
375 1 42 TYR H 1 70 ARG QD 4.500 . 4.500 4.389 3.286 4.703 0.203 12 0 "[ . 1 . 2]" 1
376 1 42 TYR QB 1 43 HIS H 3.820 . 3.820 2.569 2.400 3.061 . 0 0 "[ . 1 . 2]" 1
377 1 42 TYR QB 1 43 HIS QB 4.540 . 4.540 4.313 4.050 4.561 0.021 17 0 "[ . 1 . 2]" 1
378 1 42 TYR QB 1 70 ARG QD 4.020 . 4.020 2.080 1.853 2.256 . 0 0 "[ . 1 . 2]" 1
379 1 42 TYR QB 1 70 ARG QG 4.380 . 4.380 3.235 2.352 3.830 . 0 0 "[ . 1 . 2]" 1
380 1 43 HIS H 1 70 ARG QB 4.910 . 4.910 4.081 3.669 4.855 . 0 0 "[ . 1 . 2]" 1
381 1 43 HIS H 1 70 ARG QD 4.380 . 4.380 4.664 4.474 4.689 0.309 8 0 "[ . 1 . 2]" 1
382 1 43 HIS QB 1 45 ARG H 5.500 . 5.500 5.395 4.937 5.510 0.010 18 0 "[ . 1 . 2]" 1
383 1 43 HIS QB 1 70 ARG HA 4.510 . 4.510 4.446 4.025 4.516 0.006 3 0 "[ . 1 . 2]" 1
384 1 43 HIS QB 1 70 ARG QB 5.130 . 5.130 4.556 4.023 5.134 0.004 15 0 "[ . 1 . 2]" 1
385 1 44 SER H 1 45 ARG H 4.480 . 4.480 4.435 4.265 4.487 0.007 5 0 "[ . 1 . 2]" 1
386 1 44 SER H 1 45 ARG HA 5.250 . 5.250 4.955 4.633 5.185 . 0 0 "[ . 1 . 2]" 1
387 1 44 SER HA 1 45 ARG H 3.280 . 3.280 2.234 2.162 2.350 . 0 0 "[ . 1 . 2]" 1
388 1 44 SER HA 1 45 ARG QG 5.500 . 5.500 4.735 3.257 5.511 0.011 5 0 "[ . 1 . 2]" 1
389 1 45 ARG H 1 45 ARG QG 4.350 . 4.350 3.543 2.400 4.250 . 0 0 "[ . 1 . 2]" 1
390 1 45 ARG H 1 46 ALA H 4.550 . 4.550 4.396 4.253 4.447 . 0 0 "[ . 1 . 2]" 1
391 1 45 ARG H 1 46 ALA HA 5.150 . 5.150 4.865 4.636 4.995 . 0 0 "[ . 1 . 2]" 1
392 1 45 ARG HA 1 46 ALA H 3.470 . 3.470 2.378 2.229 2.483 . 0 0 "[ . 1 . 2]" 1
393 1 45 ARG QG 1 46 ALA H 3.680 . 3.680 2.781 1.948 3.585 . 0 0 "[ . 1 . 2]" 1
394 1 45 ARG QG 1 46 ALA MB 4.330 . 4.330 3.825 3.209 4.372 0.042 6 0 "[ . 1 . 2]" 1
395 1 46 ALA H 1 46 ALA MB 2.800 . 2.800 2.231 2.157 2.289 . 0 0 "[ . 1 . 2]" 1
396 1 46 ALA H 1 47 LEU H 4.680 . 4.680 4.276 4.232 4.344 . 0 0 "[ . 1 . 2]" 1
397 1 46 ALA H 1 66 VAL MG1 4.570 . 4.570 4.195 3.794 4.350 . 0 0 "[ . 1 . 2]" 1
398 1 46 ALA HA 1 47 LEU H 3.120 . 3.120 2.224 2.178 2.258 . 0 0 "[ . 1 . 2]" 1
399 1 46 ALA HA 1 48 GLN H 3.840 . 3.840 3.820 3.712 3.843 0.003 6 0 "[ . 1 . 2]" 1
400 1 46 ALA HA 1 66 VAL MG1 3.540 . 3.540 2.230 2.032 2.345 . 0 0 "[ . 1 . 2]" 1
401 1 46 ALA HA 1 67 GLU H 4.740 . 4.740 4.574 4.293 4.742 0.002 20 0 "[ . 1 . 2]" 1
402 1 46 ALA MB 1 47 LEU H 3.680 . 3.680 3.566 3.527 3.608 . 0 0 "[ . 1 . 2]" 1
403 1 46 ALA MB 1 48 GLN H 3.920 . 3.920 3.862 3.739 3.926 0.006 17 0 "[ . 1 . 2]" 1
404 1 46 ALA MB 1 49 VAL H 5.050 . 5.050 4.915 4.789 5.052 0.002 12 0 "[ . 1 . 2]" 1
405 1 46 ALA MB 1 49 VAL HA 4.380 . 4.380 4.413 4.403 4.425 0.045 18 0 "[ . 1 . 2]" 1
406 1 46 ALA MB 1 66 VAL HB 3.560 . 3.560 3.585 3.567 3.594 0.034 6 0 "[ . 1 . 2]" 1
407 1 46 ALA MB 1 66 VAL MG1 2.850 . 2.850 2.065 1.997 2.211 . 0 0 "[ . 1 . 2]" 1
408 1 46 ALA MB 1 67 GLU H 5.010 . 5.010 4.475 4.306 4.708 . 0 0 "[ . 1 . 2]" 1
409 1 47 LEU H 1 47 LEU QB 3.210 . 3.210 2.191 2.105 2.417 . 0 0 "[ . 1 . 2]" 1
410 1 47 LEU H 1 48 GLN H 3.050 . 3.050 2.526 2.413 2.711 . 0 0 "[ . 1 . 2]" 1
411 1 47 LEU H 1 66 VAL MG1 3.980 . 3.980 3.281 3.153 3.461 . 0 0 "[ . 1 . 2]" 1
412 1 47 LEU H 1 67 GLU H 4.690 . 4.690 4.295 4.119 4.558 . 0 0 "[ . 1 . 2]" 1
413 1 47 LEU HA 1 47 LEU QD 3.630 . 3.630 2.223 2.047 2.531 . 0 0 "[ . 1 . 2]" 1
414 1 47 LEU HA 1 48 GLN H 3.550 . 3.550 3.526 3.517 3.542 . 0 0 "[ . 1 . 2]" 1
415 1 47 LEU QB 1 48 GLN H 3.530 . 3.530 2.336 2.186 2.473 . 0 0 "[ . 1 . 2]" 1
416 1 47 LEU QB 1 66 VAL MG2 4.680 . 4.680 4.702 4.681 4.729 0.049 6 0 "[ . 1 . 2]" 1
417 1 47 LEU QB 1 69 GLY QA 4.370 . 4.370 4.276 3.591 4.409 0.039 8 0 "[ . 1 . 2]" 1
418 1 47 LEU QB 1 91 LEU HG 4.980 . 4.980 4.972 4.817 4.993 0.013 7 0 "[ . 1 . 2]" 1
419 1 47 LEU QD 1 48 GLN H 3.990 . 3.990 3.847 3.658 3.991 0.001 6 0 "[ . 1 . 2]" 1
420 1 47 LEU QD 1 48 GLN QB 3.420 . 3.420 3.586 3.515 3.633 0.213 1 0 "[ . 1 . 2]" 1
421 1 47 LEU QD 1 69 GLY QA 5.230 . 5.230 2.216 1.956 2.751 . 0 0 "[ . 1 . 2]" 1
422 1 47 LEU QD 1 84 PRO HA 5.220 . 5.220 3.998 2.515 5.272 0.052 6 0 "[ . 1 . 2]" 1
423 1 47 LEU QD 1 84 PRO QB 5.420 . 5.420 3.644 2.155 4.840 . 0 0 "[ . 1 . 2]" 1
424 1 47 LEU QD 1 88 GLN QB 4.910 . 4.910 3.764 3.343 4.895 . 0 0 "[ . 1 . 2]" 1
425 1 47 LEU QD 1 88 GLN QG 5.220 . 5.220 2.341 1.910 3.855 . 0 0 "[ . 1 . 2]" 1
426 1 47 LEU QD 1 91 LEU QD 3.180 . 3.180 2.235 1.923 2.862 . 0 0 "[ . 1 . 2]" 1
427 1 47 LEU QD 1 91 LEU HG 3.640 . 3.640 2.512 2.067 2.941 . 0 0 "[ . 1 . 2]" 1
428 1 48 GLN H 1 49 VAL H 4.170 . 4.170 4.168 4.141 4.177 0.007 3 0 "[ . 1 . 2]" 1
429 1 48 GLN H 1 66 VAL MG1 4.320 . 4.320 3.554 3.415 3.693 . 0 0 "[ . 1 . 2]" 1
430 1 48 GLN H 1 67 GLU H 3.730 . 3.730 3.010 2.881 3.190 . 0 0 "[ . 1 . 2]" 1
431 1 48 GLN HA 1 49 VAL H 3.270 . 3.270 2.202 2.153 2.259 . 0 0 "[ . 1 . 2]" 1
432 1 48 GLN HA 1 49 VAL MG1 5.490 . 5.490 5.434 5.377 5.494 0.004 11 0 "[ . 1 . 2]" 1
433 1 48 GLN QG 1 49 VAL H 3.450 . 3.450 3.024 2.744 3.212 . 0 0 "[ . 1 . 2]" 1
434 1 49 VAL H 1 49 VAL HB 3.530 . 3.530 2.315 2.265 2.347 . 0 0 "[ . 1 . 2]" 1
435 1 49 VAL H 1 49 VAL MG1 3.750 . 3.750 3.641 3.608 3.663 . 0 0 "[ . 1 . 2]" 1
436 1 49 VAL H 1 49 VAL MG2 3.520 . 3.520 3.088 3.023 3.137 . 0 0 "[ . 1 . 2]" 1
437 1 49 VAL H 1 50 VAL H 4.580 . 4.580 4.517 4.471 4.570 . 0 0 "[ . 1 . 2]" 1
438 1 49 VAL HA 1 49 VAL MG1 2.740 . 2.740 2.724 2.702 2.742 0.002 7 0 "[ . 1 . 2]" 1
439 1 49 VAL HA 1 49 VAL MG2 2.810 . 2.810 2.217 2.186 2.248 . 0 0 "[ . 1 . 2]" 1
440 1 49 VAL HA 1 50 VAL H 3.180 . 3.180 2.119 2.090 2.146 . 0 0 "[ . 1 . 2]" 1
441 1 49 VAL HA 1 51 ARG H 3.940 . 3.940 3.870 3.752 3.941 0.001 2 0 "[ . 1 . 2]" 1
442 1 49 VAL HA 1 65 ASP H 5.270 . 5.270 5.005 4.796 5.169 . 0 0 "[ . 1 . 2]" 1
443 1 49 VAL HA 1 65 ASP QB 5.300 . 5.300 5.039 4.941 5.164 . 0 0 "[ . 1 . 2]" 1
444 1 49 VAL HA 1 66 VAL HA 3.300 . 3.300 2.433 2.304 2.546 . 0 0 "[ . 1 . 2]" 1
445 1 49 VAL HA 1 67 GLU H 3.980 . 3.980 3.427 3.297 3.556 . 0 0 "[ . 1 . 2]" 1
446 1 49 VAL HB 1 50 VAL H 4.580 . 4.580 4.396 4.315 4.448 . 0 0 "[ . 1 . 2]" 1
447 1 49 VAL MG1 1 50 VAL HA 4.250 . 4.250 3.816 3.751 3.888 . 0 0 "[ . 1 . 2]" 1
448 1 49 VAL MG1 1 51 ARG H 3.310 . 3.310 2.364 2.296 2.428 . 0 0 "[ . 1 . 2]" 1
449 1 49 VAL MG1 1 52 ALA H 4.080 . 4.080 3.666 3.456 3.910 . 0 0 "[ . 1 . 2]" 1
450 1 49 VAL MG1 1 52 ALA MB 2.530 . 2.530 2.057 1.957 2.180 . 0 0 "[ . 1 . 2]" 1
451 1 49 VAL MG1 1 65 ASP H 3.460 . 3.460 3.291 3.106 3.462 0.002 7 0 "[ . 1 . 2]" 1
452 1 49 VAL MG1 1 65 ASP QB 4.230 . 4.230 4.090 4.015 4.235 0.005 10 0 "[ . 1 . 2]" 1
453 1 49 VAL MG2 1 50 VAL H 3.600 . 3.600 3.460 3.401 3.554 . 0 0 "[ . 1 . 2]" 1
454 1 49 VAL MG2 1 51 ARG H 4.020 . 4.020 4.026 4.017 4.033 0.013 17 0 "[ . 1 . 2]" 1
455 1 49 VAL MG2 1 64 LEU HA 4.340 . 4.340 4.275 3.901 4.359 0.019 18 0 "[ . 1 . 2]" 1
456 1 49 VAL MG2 1 64 LEU HG 4.150 . 4.150 3.929 3.656 4.167 0.017 6 0 "[ . 1 . 2]" 1
457 1 49 VAL MG2 1 65 ASP QB 5.010 . 5.010 4.886 4.820 4.969 . 0 0 "[ . 1 . 2]" 1
458 1 49 VAL MG2 1 66 VAL HA 3.650 . 3.650 3.498 3.405 3.582 . 0 0 "[ . 1 . 2]" 1
459 1 49 VAL MG2 1 66 VAL HB 3.250 . 3.250 3.346 3.330 3.361 0.111 20 0 "[ . 1 . 2]" 1
460 1 50 VAL H 1 50 VAL HB 3.320 . 3.320 2.573 2.539 2.621 . 0 0 "[ . 1 . 2]" 1
461 1 50 VAL H 1 50 VAL MG2 2.870 . 2.870 2.206 2.126 2.271 . 0 0 "[ . 1 . 2]" 1
462 1 50 VAL H 1 51 ARG H 3.340 . 3.340 2.252 2.191 2.322 . 0 0 "[ . 1 . 2]" 1
463 1 50 VAL H 1 51 ARG HA 5.080 . 5.080 4.911 4.875 4.963 . 0 0 "[ . 1 . 2]" 1
464 1 50 VAL H 1 65 ASP H 4.770 . 4.770 4.229 4.064 4.414 . 0 0 "[ . 1 . 2]" 1
465 1 50 VAL H 1 65 ASP QB 4.320 . 4.320 3.539 3.396 3.774 . 0 0 "[ . 1 . 2]" 1
466 1 50 VAL H 1 66 VAL HA 3.720 . 3.720 2.579 2.456 2.656 . 0 0 "[ . 1 . 2]" 1
467 1 50 VAL HA 1 50 VAL MG2 2.700 . 2.700 2.464 2.437 2.514 . 0 0 "[ . 1 . 2]" 1
468 1 50 VAL HA 1 51 ARG QD 5.280 . 5.280 4.528 4.461 4.615 . 0 0 "[ . 1 . 2]" 1
469 1 50 VAL HA 1 51 ARG QG 4.410 . 4.410 4.274 4.219 4.327 . 0 0 "[ . 1 . 2]" 1
470 1 50 VAL HB 1 51 ARG H 3.190 . 3.190 2.524 2.408 2.623 . 0 0 "[ . 1 . 2]" 1
471 1 50 VAL HB 1 65 ASP QB 3.550 . 3.550 2.501 2.311 2.794 . 0 0 "[ . 1 . 2]" 1
472 1 50 VAL MG2 1 51 ARG H 3.730 . 3.730 3.644 3.571 3.704 . 0 0 "[ . 1 . 2]" 1
473 1 50 VAL MG2 1 51 ARG QD 5.200 . 5.200 5.238 5.206 5.270 0.070 14 0 "[ . 1 . 2]" 1
474 1 50 VAL MG2 1 65 ASP QB 3.980 . 3.980 3.408 3.229 3.695 . 0 0 "[ . 1 . 2]" 1
475 1 51 ARG H 1 52 ALA H 4.590 . 4.590 4.374 4.335 4.418 . 0 0 "[ . 1 . 2]" 1
476 1 51 ARG H 1 53 ARG QD 5.500 . 5.500 5.157 4.925 5.468 . 0 0 "[ . 1 . 2]" 1
477 1 51 ARG H 1 64 LEU HA 5.390 . 5.390 4.821 4.650 5.009 . 0 0 "[ . 1 . 2]" 1
478 1 51 ARG H 1 65 ASP H 3.740 . 3.740 2.969 2.813 3.144 . 0 0 "[ . 1 . 2]" 1
479 1 51 ARG H 1 65 ASP QB 3.440 . 3.440 2.430 2.297 2.714 . 0 0 "[ . 1 . 2]" 1
480 1 51 ARG H 1 66 VAL H 5.420 . 5.420 4.928 4.857 5.030 . 0 0 "[ . 1 . 2]" 1
481 1 51 ARG H 1 66 VAL HA 4.450 . 4.450 4.417 4.320 4.454 0.004 10 0 "[ . 1 . 2]" 1
482 1 51 ARG HA 1 51 ARG QD 4.250 . 4.250 2.250 2.134 2.486 . 0 0 "[ . 1 . 2]" 1
483 1 51 ARG HA 1 51 ARG QG 3.740 . 3.740 3.107 3.012 3.158 . 0 0 "[ . 1 . 2]" 1
484 1 51 ARG HA 1 52 ALA H 2.880 . 2.880 2.263 2.210 2.312 . 0 0 "[ . 1 . 2]" 1
485 1 51 ARG HA 1 52 ALA HA 4.600 . 4.600 4.500 4.485 4.527 . 0 0 "[ . 1 . 2]" 1
486 1 51 ARG HA 1 53 ARG QD 4.510 . 4.510 4.131 3.823 4.516 0.006 6 0 "[ . 1 . 2]" 1
487 1 51 ARG HA 1 65 ASP H 5.180 . 5.180 4.794 4.667 4.940 . 0 0 "[ . 1 . 2]" 1
488 1 51 ARG QB 1 52 ALA H 4.120 . 4.120 2.861 2.666 2.990 . 0 0 "[ . 1 . 2]" 1
489 1 51 ARG QB 1 53 ARG QD 3.370 . 3.370 2.394 2.095 2.757 . 0 0 "[ . 1 . 2]" 1
490 1 51 ARG QB 1 65 ASP QB 3.850 . 3.850 2.222 2.161 2.335 . 0 0 "[ . 1 . 2]" 1
491 1 51 ARG QD 1 52 ALA H 4.320 . 4.320 3.902 3.730 4.149 . 0 0 "[ . 1 . 2]" 1
492 1 52 ALA H 1 52 ALA MB 3.130 . 3.130 2.596 2.500 2.679 . 0 0 "[ . 1 . 2]" 1
493 1 52 ALA H 1 53 ARG QG 5.040 . 5.040 4.997 4.154 5.052 0.012 6 0 "[ . 1 . 2]" 1
494 1 52 ALA HA 1 53 ARG H 3.010 . 3.010 2.132 2.089 2.198 . 0 0 "[ . 1 . 2]" 1
495 1 52 ALA HA 1 53 ARG QD 4.270 . 4.270 2.963 2.716 3.430 . 0 0 "[ . 1 . 2]" 1
496 1 52 ALA HA 1 53 ARG QG 4.470 . 4.470 4.474 4.397 4.486 0.016 14 0 "[ . 1 . 2]" 1
497 1 52 ALA HA 1 54 LYS QE 5.500 . 5.500 5.168 4.350 5.514 0.014 11 0 "[ . 1 . 2]" 1
498 1 52 ALA HA 1 64 LEU QD 3.200 . 3.200 2.465 2.296 2.753 . 0 0 "[ . 1 . 2]" 1
499 1 52 ALA MB 1 53 ARG H 3.510 . 3.510 3.333 3.173 3.488 . 0 0 "[ . 1 . 2]" 1
500 1 52 ALA MB 1 54 LYS QE 4.150 . 4.150 3.852 3.278 4.164 0.014 1 0 "[ . 1 . 2]" 1
501 1 52 ALA MB 1 64 LEU QD 2.540 . 2.540 2.401 2.199 2.571 0.031 2 0 "[ . 1 . 2]" 1
502 1 53 ARG H 1 53 ARG QB 3.550 . 3.550 3.207 2.728 3.298 . 0 0 "[ . 1 . 2]" 1
503 1 53 ARG H 1 53 ARG QD 4.260 . 4.260 2.264 2.030 2.522 . 0 0 "[ . 1 . 2]" 1
504 1 53 ARG H 1 53 ARG QG 4.010 . 4.010 2.834 2.526 3.567 . 0 0 "[ . 1 . 2]" 1
505 1 53 ARG H 1 54 LYS H 4.510 . 4.510 4.405 4.370 4.454 . 0 0 "[ . 1 . 2]" 1
506 1 53 ARG H 1 54 LYS HA 5.220 . 5.220 4.727 4.602 4.927 . 0 0 "[ . 1 . 2]" 1
507 1 53 ARG H 1 62 TYR HA 5.480 . 5.480 4.902 4.634 5.095 . 0 0 "[ . 1 . 2]" 1
508 1 53 ARG H 1 63 PHE QB 4.030 . 4.030 3.440 3.166 3.666 . 0 0 "[ . 1 . 2]" 1
509 1 53 ARG H 1 64 LEU QD 3.810 . 3.810 3.276 2.669 3.813 0.003 18 0 "[ . 1 . 2]" 1
510 1 53 ARG HA 1 54 LYS H 3.320 . 3.320 2.340 2.222 2.394 . 0 0 "[ . 1 . 2]" 1
511 1 53 ARG QB 1 54 LYS H 3.470 . 3.470 2.223 2.107 2.350 . 0 0 "[ . 1 . 2]" 1
512 1 53 ARG QB 1 63 PHE H 4.650 . 4.650 4.542 2.402 4.663 0.013 10 0 "[ . 1 . 2]" 1
513 1 53 ARG QB 1 63 PHE QB 3.960 . 3.960 3.862 2.020 3.979 0.019 13 0 "[ . 1 . 2]" 1
514 1 53 ARG QD 1 54 LYS HA 5.500 . 5.500 5.518 5.509 5.528 0.028 18 0 "[ . 1 . 2]" 1
515 1 53 ARG QD 1 63 PHE H 4.350 . 4.350 4.153 3.461 4.356 0.006 3 0 "[ . 1 . 2]" 1
516 1 53 ARG QD 1 63 PHE QB 3.780 . 3.780 2.624 2.085 3.064 . 0 0 "[ . 1 . 2]" 1
517 1 53 ARG QD 1 64 LEU HA 4.770 . 4.770 3.874 3.437 4.209 . 0 0 "[ . 1 . 2]" 1
518 1 53 ARG QG 1 54 LYS H 4.980 . 4.980 3.529 3.373 3.862 . 0 0 "[ . 1 . 2]" 1
519 1 53 ARG QG 1 63 PHE H 4.030 . 4.030 3.208 2.960 4.360 0.330 19 0 "[ . 1 . 2]" 1
520 1 53 ARG QG 1 63 PHE QB 4.190 . 4.190 1.947 1.870 2.807 . 0 0 "[ . 1 . 2]" 1
521 1 54 LYS H 1 54 LYS QG 4.190 . 4.190 3.136 2.633 3.626 . 0 0 "[ . 1 . 2]" 1
522 1 54 LYS H 1 55 GLN H 4.490 . 4.490 4.370 4.259 4.443 . 0 0 "[ . 1 . 2]" 1
523 1 54 LYS H 1 62 TYR HA 5.420 . 5.420 5.005 4.609 5.221 . 0 0 "[ . 1 . 2]" 1
524 1 54 LYS H 1 63 PHE QB 5.130 . 5.130 5.130 5.047 5.141 0.011 11 0 "[ . 1 . 2]" 1
525 1 54 LYS HA 1 55 GLN H 3.180 . 3.180 2.232 2.115 2.401 . 0 0 "[ . 1 . 2]" 1
526 1 54 LYS HA 1 62 TYR HA 3.930 . 3.930 2.355 2.066 2.584 . 0 0 "[ . 1 . 2]" 1
527 1 54 LYS HA 1 63 PHE H 3.940 . 3.940 2.956 2.746 3.164 . 0 0 "[ . 1 . 2]" 1
528 1 54 LYS QB 1 55 GLN H 3.770 . 3.770 2.714 2.356 3.074 . 0 0 "[ . 1 . 2]" 1
529 1 54 LYS QB 1 55 GLN QB 4.620 . 4.620 4.430 4.212 4.623 0.003 13 0 "[ . 1 . 2]" 1
530 1 54 LYS QG 1 55 GLN H 4.250 . 4.250 3.950 3.535 4.218 . 0 0 "[ . 1 . 2]" 1
531 1 54 LYS QG 1 60 VAL MG1 4.480 . 4.480 3.858 3.330 4.393 . 0 0 "[ . 1 . 2]" 1
532 1 55 GLN H 1 55 GLN QB 3.460 . 3.460 2.312 2.192 2.549 . 0 0 "[ . 1 . 2]" 1
533 1 55 GLN H 1 55 GLN QG 4.220 . 4.220 4.024 3.905 4.230 0.010 12 0 "[ . 1 . 2]" 1
534 1 55 GLN H 1 60 VAL MG1 3.930 . 3.930 3.594 3.287 3.910 . 0 0 "[ . 1 . 2]" 1
535 1 55 GLN H 1 61 ASN H 3.840 . 3.840 2.717 2.388 2.979 . 0 0 "[ . 1 . 2]" 1
536 1 55 GLN H 1 62 TYR HA 4.130 . 4.130 3.564 3.372 3.942 . 0 0 "[ . 1 . 2]" 1
537 1 55 GLN QB 1 60 VAL MG1 4.550 . 4.550 4.172 3.867 4.454 . 0 0 "[ . 1 . 2]" 1
538 1 55 GLN QB 1 61 ASN H 3.730 . 3.730 2.224 1.768 2.584 . 0 0 "[ . 1 . 2]" 1
539 1 55 GLN QB 1 61 ASN HA 4.460 . 4.460 4.293 4.164 4.461 0.001 16 0 "[ . 1 . 2]" 1
540 1 55 GLN QB 1 61 ASN QB 3.520 . 3.520 2.185 2.032 2.403 . 0 0 "[ . 1 . 2]" 1
541 1 55 GLN QB 1 62 TYR H 5.220 . 5.220 5.224 5.200 5.230 0.010 18 0 "[ . 1 . 2]" 1
542 1 55 GLN QB 1 62 TYR HA 5.380 . 5.380 4.922 4.704 5.068 . 0 0 "[ . 1 . 2]" 1
543 1 55 GLN QG 1 61 ASN H 4.200 . 4.200 3.790 3.305 4.201 0.001 7 0 "[ . 1 . 2]" 1
544 1 56 ILE HA 1 56 ILE MD 3.700 . 3.700 3.089 2.200 3.739 0.039 1 0 "[ . 1 . 2]" 1
545 1 56 ILE HA 1 56 ILE MG 3.020 . 3.020 2.419 2.361 2.478 . 0 0 "[ . 1 . 2]" 1
546 1 56 ILE HA 1 57 GLY H 3.070 . 3.070 2.225 2.166 2.284 . 0 0 "[ . 1 . 2]" 1
547 1 56 ILE HA 1 60 VAL HA 4.050 . 4.050 3.231 2.636 3.809 . 0 0 "[ . 1 . 2]" 1
548 1 56 ILE HB 1 56 ILE MD 3.350 . 3.350 2.744 2.228 3.315 . 0 0 "[ . 1 . 2]" 1
549 1 56 ILE HB 1 57 GLY H 4.190 . 4.190 4.141 3.982 4.194 0.004 1 0 "[ . 1 . 2]" 1
550 1 56 ILE QG 1 56 ILE MG 2.730 . 2.730 2.257 2.045 2.460 . 0 0 "[ . 1 . 2]" 1
551 1 56 ILE MG 1 57 GLY H 3.350 . 3.350 2.595 2.451 2.738 . 0 0 "[ . 1 . 2]" 1
552 1 56 ILE MG 1 57 GLY QA 4.310 . 4.310 3.159 2.991 3.246 . 0 0 "[ . 1 . 2]" 1
553 1 57 GLY H 1 60 VAL HA 4.840 . 4.840 3.672 3.161 4.116 . 0 0 "[ . 1 . 2]" 1
554 1 57 GLY H 1 60 VAL MG1 5.500 . 5.500 4.343 3.810 4.792 . 0 0 "[ . 1 . 2]" 1
555 1 57 GLY QA 1 58 ALA MB 4.340 . 4.340 3.846 3.763 3.876 . 0 0 "[ . 1 . 2]" 1
556 1 57 GLY QA 1 60 VAL MG2 5.230 . 5.230 4.272 3.909 4.899 . 0 0 "[ . 1 . 2]" 1
557 1 58 ALA MB 1 59 GLY H 3.820 . 3.820 2.927 2.721 3.359 . 0 0 "[ . 1 . 2]" 1
558 1 58 ALA MB 1 59 GLY QA 4.230 . 4.230 3.775 3.723 3.952 . 0 0 "[ . 1 . 2]" 1
559 1 59 GLY H 1 60 VAL H 4.420 . 4.420 4.359 4.088 4.424 0.004 19 0 "[ . 1 . 2]" 1
560 1 59 GLY QA 1 60 VAL H 2.840 . 2.840 2.287 2.201 2.393 . 0 0 "[ . 1 . 2]" 1
561 1 59 GLY QA 1 60 VAL HA 4.010 . 4.010 4.006 3.994 4.015 0.005 20 0 "[ . 1 . 2]" 1
562 1 59 GLY QA 1 60 VAL HB 4.660 . 4.660 4.342 4.241 4.389 . 0 0 "[ . 1 . 2]" 1
563 1 59 GLY QA 1 103 ALA MB 5.230 . 5.230 5.123 4.998 5.238 0.008 9 0 "[ . 1 . 2]" 1
564 1 59 GLY QA 1 105 PRO QG 4.560 . 4.560 2.990 2.536 3.387 . 0 0 "[ . 1 . 2]" 1
565 1 60 VAL H 1 60 VAL MG1 3.990 . 3.990 3.856 3.810 3.898 . 0 0 "[ . 1 . 2]" 1
566 1 60 VAL H 1 103 ALA H 4.230 . 4.230 3.586 3.376 3.742 . 0 0 "[ . 1 . 2]" 1
567 1 60 VAL H 1 103 ALA MB 3.930 . 3.930 3.636 3.490 3.753 . 0 0 "[ . 1 . 2]" 1
568 1 60 VAL H 1 104 VAL H 5.500 . 5.500 5.474 5.336 5.504 0.004 9 0 "[ . 1 . 2]" 1
569 1 60 VAL H 1 105 PRO QG 4.690 . 4.690 3.725 3.499 3.964 . 0 0 "[ . 1 . 2]" 1
570 1 60 VAL HA 1 60 VAL MG1 3.290 . 3.290 2.483 2.445 2.560 . 0 0 "[ . 1 . 2]" 1
571 1 60 VAL HA 1 61 ASN H 3.440 . 3.440 2.203 2.140 2.258 . 0 0 "[ . 1 . 2]" 1
572 1 60 VAL HB 1 103 ALA H 4.360 . 4.360 3.511 3.378 3.697 . 0 0 "[ . 1 . 2]" 1
573 1 60 VAL HB 1 103 ALA MB 2.780 . 2.780 2.099 2.049 2.181 . 0 0 "[ . 1 . 2]" 1
574 1 60 VAL MG1 1 61 ASN H 3.380 . 3.380 2.742 2.574 3.100 . 0 0 "[ . 1 . 2]" 1
575 1 60 VAL MG1 1 61 ASN HA 4.160 . 4.160 3.675 3.527 3.879 . 0 0 "[ . 1 . 2]" 1
576 1 60 VAL MG1 1 61 ASN QB 5.060 . 5.060 4.426 4.293 4.689 . 0 0 "[ . 1 . 2]" 1
577 1 60 VAL MG1 1 62 TYR HA 4.630 . 4.630 4.431 4.169 4.631 0.001 12 0 "[ . 1 . 2]" 1
578 1 60 VAL MG1 1 103 ALA H 4.470 . 4.470 3.663 3.365 3.886 . 0 0 "[ . 1 . 2]" 1
579 1 60 VAL MG1 1 103 ALA HA 5.330 . 5.330 5.151 4.862 5.338 0.008 18 0 "[ . 1 . 2]" 1
580 1 60 VAL MG1 1 103 ALA MB 3.470 . 3.470 2.561 2.291 2.778 . 0 0 "[ . 1 . 2]" 1
581 1 60 VAL MG1 1 105 PRO QG 5.420 . 5.420 4.897 4.715 5.112 . 0 0 "[ . 1 . 2]" 1
582 1 61 ASN H 1 61 ASN QB 3.920 . 3.920 2.571 2.402 2.670 . 0 0 "[ . 1 . 2]" 1
583 1 61 ASN H 1 62 TYR H 4.420 . 4.420 4.290 4.127 4.411 . 0 0 "[ . 1 . 2]" 1
584 1 61 ASN H 1 62 TYR HA 5.060 . 5.060 4.808 4.626 5.014 . 0 0 "[ . 1 . 2]" 1
585 1 61 ASN HA 1 62 TYR H 3.100 . 3.100 2.125 2.091 2.177 . 0 0 "[ . 1 . 2]" 1
586 1 61 ASN HA 1 62 TYR HA 4.430 . 4.430 4.425 4.402 4.433 0.003 15 0 "[ . 1 . 2]" 1
587 1 61 ASN HA 1 102 TYR HA 3.550 . 3.550 2.336 2.173 2.500 . 0 0 "[ . 1 . 2]" 1
588 1 61 ASN HA 1 103 ALA H 3.930 . 3.930 2.929 2.756 3.155 . 0 0 "[ . 1 . 2]" 1
589 1 61 ASN QB 1 62 TYR H 4.080 . 4.080 3.533 2.998 3.873 . 0 0 "[ . 1 . 2]" 1
590 1 61 ASN QB 1 103 ALA H 5.500 . 5.500 4.682 4.256 5.152 . 0 0 "[ . 1 . 2]" 1
591 1 62 TYR H 1 62 TYR QB 3.530 . 3.530 2.392 2.260 2.537 . 0 0 "[ . 1 . 2]" 1
592 1 62 TYR H 1 63 PHE H 4.770 . 4.770 4.483 4.290 4.638 . 0 0 "[ . 1 . 2]" 1
593 1 62 TYR H 1 100 GLN HA 5.290 . 5.290 4.678 4.373 4.911 . 0 0 "[ . 1 . 2]" 1
594 1 62 TYR H 1 101 ILE H 3.660 . 3.660 3.199 3.066 3.347 . 0 0 "[ . 1 . 2]" 1
595 1 62 TYR H 1 101 ILE HB 3.580 . 3.580 3.427 3.269 3.582 0.002 14 0 "[ . 1 . 2]" 1
596 1 62 TYR H 1 101 ILE MG 4.310 . 4.310 4.163 4.041 4.278 . 0 0 "[ . 1 . 2]" 1
597 1 62 TYR H 1 102 TYR HA 3.960 . 3.960 3.356 3.156 3.537 . 0 0 "[ . 1 . 2]" 1
598 1 62 TYR H 1 103 ALA H 4.820 . 4.820 3.976 3.827 4.125 . 0 0 "[ . 1 . 2]" 1
599 1 62 TYR H 1 103 ALA MB 4.360 . 4.360 4.364 4.334 4.376 0.016 6 0 "[ . 1 . 2]" 1
600 1 62 TYR HA 1 63 PHE H 3.180 . 3.180 2.217 2.166 2.297 . 0 0 "[ . 1 . 2]" 1
601 1 62 TYR HA 1 63 PHE HA 4.650 . 4.650 4.478 4.445 4.507 . 0 0 "[ . 1 . 2]" 1
602 1 62 TYR QB 1 100 GLN HA 4.700 . 4.700 4.225 3.964 4.496 . 0 0 "[ . 1 . 2]" 1
603 1 62 TYR QB 1 101 ILE H 3.860 . 3.860 2.704 2.467 3.125 . 0 0 "[ . 1 . 2]" 1
604 1 62 TYR QB 1 101 ILE HB 4.080 . 4.080 2.096 1.991 2.182 . 0 0 "[ . 1 . 2]" 1
605 1 62 TYR QB 1 101 ILE QG 3.830 . 3.830 3.576 3.403 3.727 . 0 0 "[ . 1 . 2]" 1
606 1 62 TYR QB 1 101 ILE MG 3.610 . 3.610 3.598 3.393 3.625 0.015 7 0 "[ . 1 . 2]" 1
607 1 62 TYR QB 1 103 ALA H 5.490 . 5.490 5.399 5.075 5.493 0.003 16 0 "[ . 1 . 2]" 1
608 1 62 TYR QB 1 103 ALA MB 4.830 . 4.830 4.686 4.274 4.843 0.013 5 0 "[ . 1 . 2]" 1
609 1 63 PHE H 1 63 PHE QB 3.560 . 3.560 2.496 2.190 2.630 . 0 0 "[ . 1 . 2]" 1
610 1 63 PHE QB 1 64 LEU H 4.200 . 4.200 3.392 3.103 3.547 . 0 0 "[ . 1 . 2]" 1
611 1 64 LEU H 1 64 LEU QB 3.750 . 3.750 2.536 2.413 2.613 . 0 0 "[ . 1 . 2]" 1
612 1 64 LEU H 1 64 LEU QD 3.940 . 3.940 3.106 2.364 3.798 . 0 0 "[ . 1 . 2]" 1
613 1 64 LEU H 1 99 PHE H 3.920 . 3.920 3.211 2.985 3.498 . 0 0 "[ . 1 . 2]" 1
614 1 64 LEU HA 1 64 LEU QD 2.660 . 2.660 2.144 1.984 2.304 . 0 0 "[ . 1 . 2]" 1
615 1 64 LEU HA 1 65 ASP H 2.760 . 2.760 2.140 2.109 2.187 . 0 0 "[ . 1 . 2]" 1
616 1 64 LEU HA 1 65 ASP QB 4.640 . 4.640 4.421 4.314 4.482 . 0 0 "[ . 1 . 2]" 1
617 1 64 LEU QB 1 65 ASP H 4.080 . 4.080 3.540 3.051 3.910 . 0 0 "[ . 1 . 2]" 1
618 1 64 LEU QB 1 99 PHE H 4.340 . 4.340 3.466 3.087 3.699 . 0 0 "[ . 1 . 2]" 1
619 1 64 LEU QB 1 99 PHE QB 4.280 . 4.280 2.341 2.189 2.556 . 0 0 "[ . 1 . 2]" 1
620 1 65 ASP H 1 65 ASP QB 3.230 . 3.230 2.563 2.504 2.604 . 0 0 "[ . 1 . 2]" 1
621 1 65 ASP HA 1 66 VAL H 2.900 . 2.900 1.884 1.832 1.954 . 0 0 "[ . 1 . 2]" 1
622 1 65 ASP HA 1 66 VAL HA 4.460 . 4.460 4.192 4.167 4.228 . 0 0 "[ . 1 . 2]" 1
623 1 65 ASP HA 1 66 VAL HB 4.570 . 4.570 3.481 3.379 3.562 . 0 0 "[ . 1 . 2]" 1
624 1 65 ASP HA 1 66 VAL MG1 4.440 . 4.440 4.516 4.503 4.529 0.089 11 0 "[ . 1 . 2]" 1
625 1 65 ASP HA 1 97 CYS H 5.020 . 5.020 4.815 4.544 5.024 0.004 12 0 "[ . 1 . 2]" 1
626 1 65 ASP HA 1 98 SER HA 3.190 . 3.190 2.528 2.292 2.688 . 0 0 "[ . 1 . 2]" 1
627 1 65 ASP HA 1 98 SER QB 4.930 . 4.930 4.313 3.967 4.629 . 0 0 "[ . 1 . 2]" 1
628 1 65 ASP QB 1 66 VAL H 3.800 . 3.800 2.813 2.662 2.945 . 0 0 "[ . 1 . 2]" 1
629 1 65 ASP QB 1 98 SER HA 4.250 . 4.250 3.946 3.661 4.176 . 0 0 "[ . 1 . 2]" 1
630 1 66 VAL H 1 66 VAL HB 3.350 . 3.350 2.832 2.734 2.918 . 0 0 "[ . 1 . 2]" 1
631 1 66 VAL H 1 66 VAL MG1 3.240 . 3.240 3.347 3.311 3.374 0.134 18 0 "[ . 1 . 2]" 1
632 1 66 VAL H 1 67 GLU H 4.590 . 4.590 4.349 4.306 4.405 . 0 0 "[ . 1 . 2]" 1
633 1 66 VAL H 1 96 PHE HA 5.270 . 5.270 4.730 4.601 4.916 . 0 0 "[ . 1 . 2]" 1
634 1 66 VAL H 1 97 CYS H 3.650 . 3.650 3.242 3.042 3.410 . 0 0 "[ . 1 . 2]" 1
635 1 66 VAL H 1 98 SER HA 4.620 . 4.620 3.491 3.175 3.744 . 0 0 "[ . 1 . 2]" 1
636 1 66 VAL H 1 99 PHE H 4.860 . 4.860 4.599 4.312 4.781 . 0 0 "[ . 1 . 2]" 1
637 1 66 VAL HA 1 66 VAL MG1 3.270 . 3.270 2.863 2.825 2.891 . 0 0 "[ . 1 . 2]" 1
638 1 66 VAL HA 1 66 VAL MG2 3.040 . 3.040 1.955 1.933 1.972 . 0 0 "[ . 1 . 2]" 1
639 1 66 VAL HA 1 97 CYS H 5.170 . 5.170 4.680 4.586 4.760 . 0 0 "[ . 1 . 2]" 1
640 1 66 VAL HA 1 97 CYS QB 5.180 . 5.180 5.123 4.787 5.199 0.019 12 0 "[ . 1 . 2]" 1
641 1 66 VAL HB 1 67 GLU H 4.190 . 4.190 4.196 4.194 4.199 0.009 1 0 "[ . 1 . 2]" 1
642 1 66 VAL HB 1 97 CYS QB 4.580 . 4.580 3.935 3.204 4.256 . 0 0 "[ . 1 . 2]" 1
643 1 66 VAL MG1 1 67 GLU H 3.120 . 3.120 2.613 2.509 2.719 . 0 0 "[ . 1 . 2]" 1
644 1 66 VAL MG1 1 68 LEU H 4.540 . 4.540 4.055 3.537 4.427 . 0 0 "[ . 1 . 2]" 1
645 1 66 VAL MG1 1 96 PHE HA 4.830 . 4.830 4.436 4.208 4.596 . 0 0 "[ . 1 . 2]" 1
646 1 66 VAL MG1 1 96 PHE QB 5.360 . 5.360 5.225 4.504 5.381 0.021 19 0 "[ . 1 . 2]" 1
647 1 67 GLU H 1 67 GLU QG 4.230 . 4.230 3.821 3.012 4.093 . 0 0 "[ . 1 . 2]" 1
648 1 67 GLU HA 1 68 LEU H 3.010 . 3.010 2.163 2.090 2.216 . 0 0 "[ . 1 . 2]" 1
649 1 67 GLU HA 1 96 PHE HA 2.890 . 2.890 2.329 2.179 2.432 . 0 0 "[ . 1 . 2]" 1
650 1 67 GLU HA 1 97 CYS H 3.720 . 3.720 3.458 3.344 3.562 . 0 0 "[ . 1 . 2]" 1
651 1 67 GLU QB 1 67 GLU QG 2.400 . 2.400 2.097 2.084 2.110 . 0 0 "[ . 1 . 2]" 1
652 1 67 GLU QB 1 68 LEU H 4.060 . 4.060 3.608 3.121 3.759 . 0 0 "[ . 1 . 2]" 1
653 1 67 GLU QB 1 96 PHE HA 4.570 . 4.570 4.313 4.195 4.579 0.009 2 0 "[ . 1 . 2]" 1
654 1 67 GLU QG 1 68 LEU H 4.430 . 4.430 2.927 2.552 3.696 . 0 0 "[ . 1 . 2]" 1
655 1 67 GLU QG 1 95 ALA MB 4.520 . 4.520 4.224 3.685 4.572 0.052 17 0 "[ . 1 . 2]" 1
656 1 67 GLU QG 1 96 PHE HA 3.770 . 3.770 3.648 3.018 3.786 0.016 19 0 "[ . 1 . 2]" 1
657 1 67 GLU QG 1 96 PHE QB 4.650 . 4.650 3.924 2.574 4.670 0.020 5 0 "[ . 1 . 2]" 1
658 1 68 LEU H 1 68 LEU QB 3.580 . 3.580 2.323 2.138 2.464 . 0 0 "[ . 1 . 2]" 1
659 1 68 LEU H 1 96 PHE H 4.870 . 4.870 4.696 4.554 4.821 . 0 0 "[ . 1 . 2]" 1
660 1 68 LEU H 1 97 CYS H 4.190 . 4.190 4.182 4.109 4.195 0.005 11 0 "[ . 1 . 2]" 1
661 1 68 LEU QB 1 95 ALA MB 3.240 . 3.240 2.501 2.097 3.245 0.005 15 0 "[ . 1 . 2]" 1
662 1 68 LEU QB 1 96 PHE H 5.080 . 5.080 4.998 4.735 5.110 0.030 15 0 "[ . 1 . 2]" 1
663 1 68 LEU QB 1 96 PHE HA 4.390 . 4.390 4.281 3.609 4.399 0.009 1 0 "[ . 1 . 2]" 1
664 1 68 LEU QB 1 97 CYS H 4.840 . 4.840 4.688 4.053 4.850 0.010 4 0 "[ . 1 . 2]" 1
665 1 70 ARG HA 1 70 ARG QD 4.660 . 4.660 3.848 2.298 4.122 . 0 0 "[ . 1 . 2]" 1
666 1 70 ARG HA 1 70 ARG QG 3.210 . 3.210 2.433 2.246 3.109 . 0 0 "[ . 1 . 2]" 1
667 1 70 ARG QB 1 71 THR HA 4.380 . 4.380 4.338 4.020 4.396 0.016 9 0 "[ . 1 . 2]" 1
668 1 71 THR HA 1 72 THR H 3.470 . 3.470 2.211 2.157 2.269 . 0 0 "[ . 1 . 2]" 1
669 1 71 THR HA 1 72 THR HA 4.590 . 4.590 4.338 4.278 4.439 . 0 0 "[ . 1 . 2]" 1
670 1 71 THR HB 1 72 THR H 3.220 . 3.220 2.849 2.592 2.974 . 0 0 "[ . 1 . 2]" 1
671 1 71 THR HB 1 73 CYS H 3.710 . 3.710 2.477 1.951 2.975 . 0 0 "[ . 1 . 2]" 1
672 1 71 THR MG 1 84 PRO QB 4.620 . 4.620 3.236 2.154 4.303 . 0 0 "[ . 1 . 2]" 1
673 1 71 THR MG 1 84 PRO QG 5.500 . 5.500 4.647 3.410 5.525 0.025 11 0 "[ . 1 . 2]" 1
674 1 72 THR H 1 73 CYS H 3.490 . 3.490 2.490 2.209 2.704 . 0 0 "[ . 1 . 2]" 1
675 1 73 CYS H 1 73 CYS QB 3.380 . 3.380 2.576 2.227 3.090 . 0 0 "[ . 1 . 2]" 1
676 1 73 CYS H 1 74 THR H 4.610 . 4.610 4.519 4.438 4.611 0.001 5 0 "[ . 1 . 2]" 1
677 1 73 CYS QB 1 74 THR H 3.600 . 3.600 2.375 1.952 3.031 . 0 0 "[ . 1 . 2]" 1
678 1 73 CYS QB 1 74 THR HA 4.200 . 4.200 4.185 4.011 4.219 0.019 13 0 "[ . 1 . 2]" 1
679 1 74 THR H 1 74 THR HB 3.870 . 3.870 3.764 3.631 3.874 0.004 11 0 "[ . 1 . 2]" 1
680 1 74 THR H 1 74 THR MG 3.000 . 3.000 2.303 2.061 2.677 . 0 0 "[ . 1 . 2]" 1
681 1 74 THR H 1 75 LYS H 4.420 . 4.420 4.408 4.320 4.430 0.010 7 0 "[ . 1 . 2]" 1
682 1 74 THR H 1 77 GLN H 4.170 . 4.170 3.441 3.155 3.902 . 0 0 "[ . 1 . 2]" 1
683 1 74 THR H 1 77 GLN QB 4.200 . 4.200 1.963 1.489 2.575 . 0 0 "[ . 1 . 2]" 1
684 1 74 THR H 1 78 PRO QD 5.500 . 5.500 5.006 4.589 5.493 . 0 0 "[ . 1 . 2]" 1
685 1 74 THR HA 1 74 THR MG 3.220 . 3.220 2.642 2.565 2.699 . 0 0 "[ . 1 . 2]" 1
686 1 74 THR HA 1 75 LYS H 3.420 . 3.420 2.411 2.211 2.505 . 0 0 "[ . 1 . 2]" 1
687 1 74 THR HB 1 75 LYS H 3.920 . 3.920 2.255 2.202 2.318 . 0 0 "[ . 1 . 2]" 1
688 1 74 THR MG 1 75 LYS H 3.790 . 3.790 3.782 3.749 3.796 0.006 1 0 "[ . 1 . 2]" 1
689 1 74 THR MG 1 75 LYS QG 4.120 . 4.120 4.184 4.150 4.210 0.090 8 0 "[ . 1 . 2]" 1
690 1 74 THR MG 1 77 GLN H 4.190 . 4.190 3.680 3.518 3.744 . 0 0 "[ . 1 . 2]" 1
691 1 74 THR MG 1 78 PRO QD 4.980 . 4.980 5.078 5.056 5.105 0.125 11 0 "[ . 1 . 2]" 1
692 1 75 LYS H 1 75 LYS QG 3.940 . 3.940 1.911 1.751 2.173 . 0 0 "[ . 1 . 2]" 1
693 1 75 LYS H 1 76 THR H 4.300 . 4.300 2.765 2.699 2.860 . 0 0 "[ . 1 . 2]" 1
694 1 75 LYS H 1 77 GLN H 4.540 . 4.540 4.119 4.018 4.200 . 0 0 "[ . 1 . 2]" 1
695 1 75 LYS H 1 80 LEU QD 4.670 . 4.670 4.420 4.156 4.683 0.013 1 0 "[ . 1 . 2]" 1
696 1 75 LYS HA 1 77 GLN H 4.300 . 4.300 4.310 4.305 4.313 0.013 18 0 "[ . 1 . 2]" 1
697 1 75 LYS HA 1 80 LEU QD 3.590 . 3.590 2.604 2.121 3.069 . 0 0 "[ . 1 . 2]" 1
698 1 75 LYS HA 1 80 LEU HG 5.070 . 5.070 4.265 3.406 5.071 0.001 3 0 "[ . 1 . 2]" 1
699 1 75 LYS QD 1 76 THR H 4.470 . 4.470 4.347 3.606 4.478 0.008 3 0 "[ . 1 . 2]" 1
700 1 75 LYS QG 1 76 THR H 4.610 . 4.610 2.365 2.077 2.504 . 0 0 "[ . 1 . 2]" 1
701 1 75 LYS QG 1 76 THR HA 4.070 . 4.070 3.762 3.582 3.996 . 0 0 "[ . 1 . 2]" 1
702 1 75 LYS QG 1 76 THR HB 4.350 . 4.350 4.360 4.352 4.368 0.018 10 0 "[ . 1 . 2]" 1
703 1 75 LYS QG 1 77 GLN H 4.760 . 4.760 4.131 3.893 4.257 . 0 0 "[ . 1 . 2]" 1
704 1 76 THR H 1 76 THR HB 3.880 . 3.880 3.247 3.210 3.279 . 0 0 "[ . 1 . 2]" 1
705 1 76 THR H 1 76 THR MG 3.920 . 3.920 3.126 3.013 3.200 . 0 0 "[ . 1 . 2]" 1
706 1 76 THR HA 1 76 THR MG 2.770 . 2.770 2.216 2.157 2.236 . 0 0 "[ . 1 . 2]" 1
707 1 76 THR HA 1 77 GLN QG 5.500 . 5.500 5.475 5.263 5.516 0.016 3 0 "[ . 1 . 2]" 1
708 1 76 THR HB 1 77 GLN H 3.160 . 3.160 3.194 3.190 3.197 0.037 8 0 "[ . 1 . 2]" 1
709 1 76 THR MG 1 77 GLN H 4.220 . 4.220 4.094 4.033 4.127 . 0 0 "[ . 1 . 2]" 1
710 1 77 GLN H 1 77 GLN QB 2.840 . 2.840 2.273 2.204 2.348 . 0 0 "[ . 1 . 2]" 1
711 1 77 GLN HA 1 77 GLN QG 3.190 . 3.190 2.467 2.139 2.814 . 0 0 "[ . 1 . 2]" 1
712 1 77 GLN QB 1 77 GLN QG 2.410 . 2.410 2.037 2.008 2.113 . 0 0 "[ . 1 . 2]" 1
713 1 78 PRO QB 1 79 ASN HA 4.330 . 4.330 4.224 3.986 4.342 0.012 7 0 "[ . 1 . 2]" 1
714 1 80 LEU H 1 80 LEU MD1 4.400 . 4.400 2.441 2.357 2.523 . 0 0 "[ . 1 . 2]" 1
715 1 80 LEU H 1 80 LEU QD 3.860 . 3.860 2.424 2.344 2.503 . 0 0 "[ . 1 . 2]" 1
716 1 80 LEU H 1 80 LEU MD2 4.400 . 4.400 4.131 4.056 4.174 . 0 0 "[ . 1 . 2]" 1
717 1 80 LEU H 1 80 LEU HG 4.430 . 4.430 3.917 3.819 3.997 . 0 0 "[ . 1 . 2]" 1
718 1 80 LEU QB 1 80 LEU QD 2.650 . 2.650 1.912 1.894 1.929 . 0 0 "[ . 1 . 2]" 1
719 1 80 LEU QB 1 84 PRO QG 5.500 . 5.500 4.092 3.984 4.293 . 0 0 "[ . 1 . 2]" 1
720 1 80 LEU QD 1 81 ASP H 4.840 . 4.840 4.344 4.214 4.461 . 0 0 "[ . 1 . 2]" 1
721 1 80 LEU QD 1 84 PRO QG 4.410 . 4.410 4.455 4.417 4.481 0.071 7 0 "[ . 1 . 2]" 1
722 1 80 LEU HG 1 84 PRO QG 4.610 . 4.610 4.605 4.403 4.622 0.012 9 0 "[ . 1 . 2]" 1
723 1 81 ASP H 1 82 ASN H 4.320 . 4.320 2.269 2.213 2.340 . 0 0 "[ . 1 . 2]" 1
724 1 81 ASP HA 1 82 ASN H 3.510 . 3.510 3.515 3.512 3.520 0.010 13 0 "[ . 1 . 2]" 1
725 1 81 ASP QB 1 82 ASN QB 4.710 . 4.710 3.753 3.216 4.269 . 0 0 "[ . 1 . 2]" 1
726 1 82 ASN H 1 82 ASN QB 2.970 . 2.970 2.355 2.082 2.565 . 0 0 "[ . 1 . 2]" 1
727 1 82 ASN H 1 83 CYS H 4.910 . 4.910 2.525 2.315 2.670 . 0 0 "[ . 1 . 2]" 1
728 1 82 ASN H 1 85 PHE QB 4.560 . 4.560 4.564 4.549 4.575 0.015 18 0 "[ . 1 . 2]" 1
729 1 82 ASN HA 1 85 PHE QB 3.890 . 3.890 2.283 2.136 2.398 . 0 0 "[ . 1 . 2]" 1
730 1 82 ASN HA 1 86 HIS H 4.000 . 4.000 3.994 3.910 4.006 0.006 3 0 "[ . 1 . 2]" 1
731 1 82 ASN QB 1 85 PHE QB 4.280 . 4.280 3.989 3.565 4.211 . 0 0 "[ . 1 . 2]" 1
732 1 83 CYS HA 1 86 HIS H 4.700 . 4.700 3.552 3.346 3.807 . 0 0 "[ . 1 . 2]" 1
733 1 84 PRO HA 1 87 ASP QB 4.280 . 4.280 2.001 1.961 2.139 . 0 0 "[ . 1 . 2]" 1
734 1 84 PRO QB 1 85 PHE H 3.500 . 3.500 3.434 3.397 3.483 . 0 0 "[ . 1 . 2]" 1
735 1 84 PRO QG 1 85 PHE H 4.360 . 4.360 2.571 2.475 2.668 . 0 0 "[ . 1 . 2]" 1
736 1 84 PRO QG 1 86 HIS H 5.050 . 5.050 4.962 4.840 5.056 0.006 18 0 "[ . 1 . 2]" 1
737 1 84 PRO QG 1 87 ASP QB 5.010 . 5.010 4.998 4.891 5.034 0.024 14 0 "[ . 1 . 2]" 1
738 1 85 PHE H 1 85 PHE QB 3.460 . 3.460 2.238 2.130 2.272 . 0 0 "[ . 1 . 2]" 1
739 1 85 PHE QB 1 86 HIS H 3.600 . 3.600 2.590 2.312 2.833 . 0 0 "[ . 1 . 2]" 1
740 1 85 PHE QB 1 89 PRO QD 5.240 . 5.240 4.963 4.522 5.141 . 0 0 "[ . 1 . 2]" 1
741 1 85 PHE QB 1 89 PRO QG 5.500 . 5.500 5.478 4.911 5.542 0.042 18 0 "[ . 1 . 2]" 1
742 1 86 HIS H 1 86 HIS QB 3.550 . 3.550 2.299 2.127 2.740 . 0 0 "[ . 1 . 2]" 1
743 1 86 HIS QB 1 87 ASP H 3.930 . 3.930 2.893 2.558 3.829 . 0 0 "[ . 1 . 2]" 1
744 1 87 ASP H 1 87 ASP QB 3.840 . 3.840 2.347 2.080 2.424 . 0 0 "[ . 1 . 2]" 1
745 1 87 ASP H 1 89 PRO QD 4.360 . 4.360 3.574 3.482 3.653 . 0 0 "[ . 1 . 2]" 1
746 1 87 ASP H 1 89 PRO QG 4.740 . 4.740 4.748 4.728 4.758 0.018 9 0 "[ . 1 . 2]" 1
747 1 87 ASP QB 1 91 LEU H 5.360 . 5.360 4.865 4.349 5.320 . 0 0 "[ . 1 . 2]" 1
748 1 87 ASP QB 1 91 LEU QD 3.630 . 3.630 2.998 2.152 3.666 0.036 9 0 "[ . 1 . 2]" 1
749 1 88 GLN HA 1 88 GLN QG 3.380 . 3.380 2.213 2.019 2.714 . 0 0 "[ . 1 . 2]" 1
750 1 88 GLN HA 1 91 LEU QB 4.150 . 4.150 3.270 2.620 3.905 . 0 0 "[ . 1 . 2]" 1
751 1 88 GLN QB 1 91 LEU H 5.090 . 5.090 4.854 4.654 4.967 . 0 0 "[ . 1 . 2]" 1
752 1 88 GLN QB 1 91 LEU QB 5.370 . 5.370 4.744 4.375 5.022 . 0 0 "[ . 1 . 2]" 1
753 1 88 GLN QB 1 91 LEU QD 4.870 . 4.870 4.632 3.883 4.928 0.058 11 0 "[ . 1 . 2]" 1
754 1 88 GLN QG 1 89 PRO HA 5.420 . 5.420 5.439 5.428 5.462 0.042 2 0 "[ . 1 . 2]" 1
755 1 88 GLN QG 1 89 PRO QD 4.330 . 4.330 3.982 3.855 4.059 . 0 0 "[ . 1 . 2]" 1
756 1 89 PRO QB 1 90 HIS QB 4.790 . 4.790 4.710 4.536 4.829 0.039 15 0 "[ . 1 . 2]" 1
757 1 91 LEU H 1 91 LEU QB 3.690 . 3.690 2.287 2.146 2.486 . 0 0 "[ . 1 . 2]" 1
758 1 91 LEU H 1 91 LEU QD 3.860 . 3.860 2.801 2.540 3.327 . 0 0 "[ . 1 . 2]" 1
759 1 91 LEU H 1 92 LYS QE 5.260 . 5.260 4.458 3.808 5.262 0.002 18 0 "[ . 1 . 2]" 1
760 1 91 LEU HA 1 91 LEU MD1 4.310 . 4.310 2.819 2.024 3.874 . 0 0 "[ . 1 . 2]" 1
761 1 91 LEU HA 1 91 LEU QD 3.580 . 3.580 2.085 1.985 2.189 . 0 0 "[ . 1 . 2]" 1
762 1 91 LEU HA 1 91 LEU MD2 4.310 . 4.310 2.482 2.088 3.706 . 0 0 "[ . 1 . 2]" 1
763 1 91 LEU QB 1 92 LYS H 3.940 . 3.940 3.766 3.559 3.880 . 0 0 "[ . 1 . 2]" 1
764 1 91 LEU QB 1 92 LYS QE 5.500 . 5.500 4.950 4.234 5.527 0.027 17 0 "[ . 1 . 2]" 1
765 1 91 LEU QD 1 92 LYS H 4.290 . 4.290 3.732 3.290 4.129 . 0 0 "[ . 1 . 2]" 1
766 1 92 LYS HA 1 92 LYS QD 4.350 . 4.350 3.003 2.022 4.359 0.009 3 0 "[ . 1 . 2]" 1
767 1 93 ARG QG 1 94 LYS H 4.380 . 4.380 3.943 2.652 4.402 0.022 11 0 "[ . 1 . 2]" 1
768 1 95 ALA HA 1 118 GLN QB 3.300 . 3.300 2.660 1.938 3.272 . 0 0 "[ . 1 . 2]" 1
769 1 95 ALA MB 1 96 PHE H 4.130 . 4.130 3.021 2.635 3.306 . 0 0 "[ . 1 . 2]" 1
770 1 95 ALA MB 1 96 PHE HA 4.160 . 4.160 4.041 3.853 4.164 0.004 20 0 "[ . 1 . 2]" 1
771 1 95 ALA MB 1 118 GLN QB 3.570 . 3.570 2.403 2.078 3.044 . 0 0 "[ . 1 . 2]" 1
772 1 95 ALA MB 1 118 GLN QG 4.280 . 4.280 3.934 2.270 4.335 0.055 6 0 "[ . 1 . 2]" 1
773 1 96 PHE H 1 118 GLN QG 4.120 . 4.120 2.756 1.973 3.441 . 0 0 "[ . 1 . 2]" 1
774 1 96 PHE HA 1 97 CYS H 2.850 . 2.850 2.098 2.030 2.153 . 0 0 "[ . 1 . 2]" 1
775 1 96 PHE QB 1 118 GLN QB 5.070 . 5.070 4.309 3.985 4.795 . 0 0 "[ . 1 . 2]" 1
776 1 97 CYS H 1 97 CYS QB 3.800 . 3.800 2.490 2.277 2.587 . 0 0 "[ . 1 . 2]" 1
777 1 97 CYS H 1 118 GLN H 5.000 . 5.000 4.919 4.618 5.012 0.012 12 0 "[ . 1 . 2]" 1
778 1 97 CYS H 1 118 GLN QB 5.010 . 5.010 5.005 4.836 5.032 0.022 16 0 "[ . 1 . 2]" 1
779 1 97 CYS HA 1 98 SER H 2.880 . 2.880 2.314 2.231 2.376 . 0 0 "[ . 1 . 2]" 1
780 1 97 CYS HA 1 98 SER QB 4.900 . 4.900 4.347 4.041 4.495 . 0 0 "[ . 1 . 2]" 1
781 1 97 CYS HA 1 117 CYS HA 3.160 . 3.160 2.059 1.883 2.205 . 0 0 "[ . 1 . 2]" 1
782 1 97 CYS HA 1 118 GLN H 3.680 . 3.680 3.677 3.574 3.685 0.005 14 0 "[ . 1 . 2]" 1
783 1 97 CYS QB 1 98 SER H 3.580 . 3.580 2.537 2.382 2.634 . 0 0 "[ . 1 . 2]" 1
784 1 97 CYS QB 1 98 SER HA 4.330 . 4.330 3.934 3.761 4.042 . 0 0 "[ . 1 . 2]" 1
785 1 97 CYS QB 1 116 THR H 4.640 . 4.640 3.916 3.672 4.090 . 0 0 "[ . 1 . 2]" 1
786 1 97 CYS QB 1 116 THR MG 4.110 . 4.110 4.110 3.941 4.144 0.034 3 0 "[ . 1 . 2]" 1
787 1 98 SER H 1 98 SER QB 3.340 . 3.340 2.649 2.607 2.712 . 0 0 "[ . 1 . 2]" 1
788 1 98 SER H 1 99 PHE H 4.280 . 4.280 4.224 4.093 4.284 0.004 10 0 "[ . 1 . 2]" 1
789 1 98 SER H 1 114 LYS QG 5.500 . 5.500 5.269 4.852 5.512 0.012 14 0 "[ . 1 . 2]" 1
790 1 98 SER H 1 116 THR H 3.580 . 3.580 2.947 2.807 3.067 . 0 0 "[ . 1 . 2]" 1
791 1 98 SER H 1 116 THR HB 4.990 . 4.990 4.792 4.217 4.929 . 0 0 "[ . 1 . 2]" 1
792 1 98 SER H 1 116 THR MG 3.940 . 3.940 2.340 1.972 2.505 . 0 0 "[ . 1 . 2]" 1
793 1 98 SER H 1 117 CYS HA 3.840 . 3.840 3.496 3.339 3.596 . 0 0 "[ . 1 . 2]" 1
794 1 98 SER H 1 117 CYS QB 5.130 . 5.130 5.072 4.164 5.136 0.006 17 0 "[ . 1 . 2]" 1
795 1 98 SER HA 1 99 PHE H 2.970 . 2.970 2.124 2.103 2.142 . 0 0 "[ . 1 . 2]" 1
796 1 98 SER HA 1 99 PHE QB 4.770 . 4.770 4.381 4.309 4.442 . 0 0 "[ . 1 . 2]" 1
797 1 98 SER HA 1 116 THR H 4.990 . 4.990 4.980 4.843 4.994 0.004 3 0 "[ . 1 . 2]" 1
798 1 98 SER QB 1 99 PHE H 4.060 . 4.060 3.333 3.106 3.863 . 0 0 "[ . 1 . 2]" 1
799 1 98 SER QB 1 114 LYS QB 5.290 . 5.290 5.162 4.826 5.305 0.015 19 0 "[ . 1 . 2]" 1
800 1 98 SER QB 1 114 LYS QD 4.810 . 4.810 3.627 2.679 4.830 0.020 17 0 "[ . 1 . 2]" 1
801 1 98 SER QB 1 114 LYS QE 4.430 . 4.430 4.175 3.064 4.439 0.009 18 0 "[ . 1 . 2]" 1
802 1 98 SER QB 1 114 LYS QG 4.570 . 4.570 4.007 3.511 4.468 . 0 0 "[ . 1 . 2]" 1
803 1 98 SER QB 1 116 THR H 4.250 . 4.250 3.780 3.398 3.932 . 0 0 "[ . 1 . 2]" 1
804 1 98 SER QB 1 116 THR HB 4.390 . 4.390 4.318 3.356 4.400 0.010 16 0 "[ . 1 . 2]" 1
805 1 98 SER QB 1 116 THR MG 3.740 . 3.740 2.000 1.953 2.034 . 0 0 "[ . 1 . 2]" 1
806 1 99 PHE H 1 100 GLN HA 5.500 . 5.500 4.882 4.785 5.010 . 0 0 "[ . 1 . 2]" 1
807 1 99 PHE HA 1 100 GLN H 3.130 . 3.130 2.147 2.088 2.185 . 0 0 "[ . 1 . 2]" 1
808 1 99 PHE HA 1 112 LEU MD1 3.640 . 3.640 3.221 2.927 3.380 . 0 0 "[ . 1 . 2]" 1
809 1 99 PHE HA 1 112 LEU HG 5.050 . 5.050 4.937 4.696 5.052 0.002 10 0 "[ . 1 . 2]" 1
810 1 99 PHE HA 1 114 LYS QG 4.380 . 4.380 3.800 2.891 4.390 0.010 3 0 "[ . 1 . 2]" 1
811 1 99 PHE HA 1 115 SER HA 3.240 . 3.240 2.544 2.446 2.674 . 0 0 "[ . 1 . 2]" 1
812 1 99 PHE HA 1 115 SER QB 3.960 . 3.960 3.858 3.618 3.965 0.005 13 0 "[ . 1 . 2]" 1
813 1 99 PHE HA 1 116 THR H 4.250 . 4.250 3.605 3.505 3.760 . 0 0 "[ . 1 . 2]" 1
814 1 99 PHE QB 1 112 LEU MD1 4.260 . 4.260 2.401 2.192 2.581 . 0 0 "[ . 1 . 2]" 1
815 1 100 GLN H 1 100 GLN QB 3.880 . 3.880 2.549 2.415 2.770 . 0 0 "[ . 1 . 2]" 1
816 1 100 GLN H 1 112 LEU MD1 3.440 . 3.440 2.739 2.533 2.880 . 0 0 "[ . 1 . 2]" 1
817 1 100 GLN H 1 114 LYS H 3.580 . 3.580 2.974 2.894 3.057 . 0 0 "[ . 1 . 2]" 1
818 1 100 GLN H 1 114 LYS QB 3.890 . 3.890 3.356 2.940 3.891 0.001 12 0 "[ . 1 . 2]" 1
819 1 100 GLN H 1 115 SER HA 3.810 . 3.810 3.670 3.570 3.809 . 0 0 "[ . 1 . 2]" 1
820 1 100 GLN H 1 116 THR H 5.130 . 5.130 5.129 5.061 5.134 0.004 19 0 "[ . 1 . 2]" 1
821 1 100 GLN HA 1 101 ILE H 3.140 . 3.140 2.153 2.077 2.194 . 0 0 "[ . 1 . 2]" 1
822 1 100 GLN HA 1 101 ILE QG 3.910 . 3.910 3.782 3.581 3.912 0.002 4 0 "[ . 1 . 2]" 1
823 1 100 GLN HA 1 112 LEU MD1 4.250 . 4.250 4.202 4.026 4.259 0.009 11 0 "[ . 1 . 2]" 1
824 1 100 GLN HA 1 114 LYS H 4.800 . 4.800 4.769 4.643 4.805 0.005 3 0 "[ . 1 . 2]" 1
825 1 100 GLN QB 1 112 LEU MD1 4.450 . 4.450 4.116 3.952 4.280 . 0 0 "[ . 1 . 2]" 1
826 1 100 GLN QG 1 114 LYS QB 4.030 . 4.030 3.473 2.606 4.033 0.003 1 0 "[ . 1 . 2]" 1
827 1 101 ILE H 1 101 ILE HB 3.250 . 3.250 2.607 2.538 2.667 . 0 0 "[ . 1 . 2]" 1
828 1 101 ILE H 1 101 ILE MG 3.960 . 3.960 3.873 3.847 3.898 . 0 0 "[ . 1 . 2]" 1
829 1 101 ILE HA 1 101 ILE MG 3.620 . 3.620 2.381 2.326 2.419 . 0 0 "[ . 1 . 2]" 1
830 1 101 ILE HA 1 102 TYR H 3.030 . 3.030 2.190 2.163 2.218 . 0 0 "[ . 1 . 2]" 1
831 1 101 ILE HA 1 102 TYR QB 4.420 . 4.420 4.168 4.120 4.226 . 0 0 "[ . 1 . 2]" 1
832 1 101 ILE HA 1 111 THR H 4.840 . 4.840 4.493 4.331 4.587 . 0 0 "[ . 1 . 2]" 1
833 1 101 ILE HA 1 113 SER H 3.520 . 3.520 2.282 2.114 2.491 . 0 0 "[ . 1 . 2]" 1
834 1 101 ILE HB 1 101 ILE MD 3.560 . 3.560 2.334 2.291 2.419 . 0 0 "[ . 1 . 2]" 1
835 1 101 ILE HB 1 102 TYR HA 5.150 . 5.150 4.869 4.741 4.949 . 0 0 "[ . 1 . 2]" 1
836 1 101 ILE HB 1 103 ALA H 5.500 . 5.500 5.403 5.194 5.502 0.002 12 0 "[ . 1 . 2]" 1
837 1 101 ILE HB 1 103 ALA MB 4.700 . 4.700 4.677 4.509 4.711 0.011 11 0 "[ . 1 . 2]" 1
838 1 101 ILE HB 1 112 LEU MD1 4.700 . 4.700 4.308 4.191 4.393 . 0 0 "[ . 1 . 2]" 1
839 1 101 ILE QG 1 101 ILE MG 2.770 . 2.770 2.260 2.215 2.300 . 0 0 "[ . 1 . 2]" 1
840 1 101 ILE QG 1 102 TYR H 4.360 . 4.360 4.330 4.269 4.360 0.000 7 0 "[ . 1 . 2]" 1
841 1 101 ILE QG 1 112 LEU H 4.380 . 4.380 4.305 4.214 4.381 0.001 16 0 "[ . 1 . 2]" 1
842 1 101 ILE QG 1 112 LEU QB 3.390 . 3.390 3.233 3.149 3.328 . 0 0 "[ . 1 . 2]" 1
843 1 101 ILE QG 1 112 LEU MD1 2.990 . 2.990 2.051 1.980 2.146 . 0 0 "[ . 1 . 2]" 1
844 1 101 ILE MG 1 102 TYR H 3.210 . 3.210 2.890 2.738 2.951 . 0 0 "[ . 1 . 2]" 1
845 1 101 ILE MG 1 102 TYR HA 4.160 . 4.160 3.955 3.817 4.015 . 0 0 "[ . 1 . 2]" 1
846 1 101 ILE MG 1 103 ALA H 4.310 . 4.310 4.085 3.917 4.178 . 0 0 "[ . 1 . 2]" 1
847 1 101 ILE MG 1 103 ALA MB 3.330 . 3.330 3.339 3.291 3.361 0.031 10 0 "[ . 1 . 2]" 1
848 1 101 ILE MG 1 111 THR H 3.740 . 3.740 2.843 2.644 2.913 . 0 0 "[ . 1 . 2]" 1
849 1 101 ILE MG 1 111 THR HB 4.650 . 4.650 4.637 4.505 4.659 0.009 20 0 "[ . 1 . 2]" 1
850 1 101 ILE MG 1 112 LEU H 4.030 . 4.030 3.546 3.395 3.634 . 0 0 "[ . 1 . 2]" 1
851 1 101 ILE MG 1 112 LEU QB 3.970 . 3.970 3.780 3.701 3.972 0.002 12 0 "[ . 1 . 2]" 1
852 1 101 ILE MG 1 113 SER H 4.590 . 4.590 3.995 3.701 4.212 . 0 0 "[ . 1 . 2]" 1
853 1 101 ILE MG 1 113 SER QB 4.830 . 4.830 4.773 4.620 4.866 0.036 15 0 "[ . 1 . 2]" 1
854 1 102 TYR H 1 102 TYR QB 3.390 . 3.390 2.314 2.251 2.355 . 0 0 "[ . 1 . 2]" 1
855 1 102 TYR H 1 111 THR H 3.780 . 3.780 3.304 3.215 3.369 . 0 0 "[ . 1 . 2]" 1
856 1 102 TYR H 1 111 THR HB 4.630 . 4.630 4.134 3.939 4.278 . 0 0 "[ . 1 . 2]" 1
857 1 102 TYR H 1 111 THR MG 4.590 . 4.590 4.599 4.593 4.607 0.017 2 0 "[ . 1 . 2]" 1
858 1 102 TYR H 1 113 SER H 3.970 . 3.970 2.673 2.531 2.729 . 0 0 "[ . 1 . 2]" 1
859 1 102 TYR HA 1 103 ALA H 3.110 . 3.110 2.188 2.163 2.224 . 0 0 "[ . 1 . 2]" 1
860 1 102 TYR HA 1 111 THR H 5.000 . 5.000 4.776 4.737 4.812 . 0 0 "[ . 1 . 2]" 1
861 1 102 TYR HA 1 113 SER H 5.250 . 5.250 5.252 5.250 5.255 0.005 7 0 "[ . 1 . 2]" 1
862 1 102 TYR QB 1 111 THR H 4.410 . 4.410 3.600 3.542 3.663 . 0 0 "[ . 1 . 2]" 1
863 1 102 TYR QB 1 111 THR HB 3.840 . 3.840 3.563 3.439 3.756 . 0 0 "[ . 1 . 2]" 1
864 1 103 ALA H 1 103 ALA MB 3.160 . 3.160 2.296 2.240 2.330 . 0 0 "[ . 1 . 2]" 1
865 1 103 ALA H 1 104 VAL H 4.410 . 4.410 4.417 4.414 4.421 0.011 11 0 "[ . 1 . 2]" 1
866 1 103 ALA H 1 110 MET QB 4.710 . 4.710 4.087 3.983 4.498 . 0 0 "[ . 1 . 2]" 1
867 1 103 ALA HA 1 104 VAL H 3.150 . 3.150 2.144 2.131 2.187 . 0 0 "[ . 1 . 2]" 1
868 1 103 ALA MB 1 104 VAL H 3.380 . 3.380 2.892 2.852 2.970 . 0 0 "[ . 1 . 2]" 1
869 1 103 ALA MB 1 104 VAL HA 4.270 . 4.270 4.290 4.276 4.295 0.025 17 0 "[ . 1 . 2]" 1
870 1 103 ALA MB 1 105 PRO HA 4.940 . 4.940 3.700 3.558 3.898 . 0 0 "[ . 1 . 2]" 1
871 1 103 ALA MB 1 105 PRO QB 4.710 . 4.710 3.859 3.740 3.975 . 0 0 "[ . 1 . 2]" 1
872 1 103 ALA MB 1 105 PRO QG 5.060 . 5.060 4.864 4.740 4.957 . 0 0 "[ . 1 . 2]" 1
873 1 103 ALA MB 1 110 MET H 5.260 . 5.260 5.036 4.990 5.212 . 0 0 "[ . 1 . 2]" 1
874 1 103 ALA MB 1 110 MET HA 3.410 . 3.410 3.430 3.424 3.435 0.025 14 0 "[ . 1 . 2]" 1
875 1 103 ALA MB 1 110 MET QG 4.150 . 4.150 3.970 2.076 4.154 0.004 16 0 "[ . 1 . 2]" 1
876 1 104 VAL H 1 104 VAL HB 4.160 . 4.160 2.866 2.839 2.898 . 0 0 "[ . 1 . 2]" 1
877 1 104 VAL H 1 104 VAL QG 3.680 . 3.680 1.712 1.690 1.736 . 0 0 "[ . 1 . 2]" 1
878 1 104 VAL H 1 108 GLY H 5.060 . 5.060 5.062 5.057 5.064 0.004 12 0 "[ . 1 . 2]" 1
879 1 104 VAL H 1 109 THR H 3.740 . 3.740 3.679 3.447 3.780 0.040 16 0 "[ . 1 . 2]" 1
880 1 104 VAL H 1 109 THR HA 4.940 . 4.940 4.835 4.814 4.871 . 0 0 "[ . 1 . 2]" 1
881 1 104 VAL H 1 109 THR HB 4.340 . 4.340 4.347 4.345 4.349 0.009 7 0 "[ . 1 . 2]" 1
882 1 104 VAL H 1 109 THR MG 5.500 . 5.500 5.248 5.202 5.351 . 0 0 "[ . 1 . 2]" 1
883 1 104 VAL H 1 110 MET QB 4.420 . 4.420 3.431 3.339 4.068 . 0 0 "[ . 1 . 2]" 1
884 1 104 VAL H 1 111 THR H 4.990 . 4.990 4.493 4.441 4.576 . 0 0 "[ . 1 . 2]" 1
885 1 104 VAL HA 1 104 VAL QG 3.310 . 3.310 2.165 2.156 2.173 . 0 0 "[ . 1 . 2]" 1
886 1 104 VAL HB 1 106 TRP QB 4.330 . 4.330 4.321 4.106 4.346 0.016 14 0 "[ . 1 . 2]" 1
887 1 104 VAL QG 1 105 PRO HA 4.620 . 4.620 4.264 4.255 4.272 . 0 0 "[ . 1 . 2]" 1
888 1 104 VAL QG 1 107 GLN H 3.890 . 3.890 3.318 3.040 3.448 . 0 0 "[ . 1 . 2]" 1
889 1 104 VAL QG 1 107 GLN QB 3.630 . 3.630 3.031 2.645 3.290 . 0 0 "[ . 1 . 2]" 1
890 1 104 VAL QG 1 109 THR H 4.030 . 4.030 3.249 3.134 3.338 . 0 0 "[ . 1 . 2]" 1
891 1 104 VAL QG 1 109 THR HA 4.960 . 4.960 4.093 4.062 4.123 . 0 0 "[ . 1 . 2]" 1
892 1 104 VAL QG 1 109 THR HB 3.710 . 3.710 2.782 2.746 2.814 . 0 0 "[ . 1 . 2]" 1
893 1 104 VAL QG 1 109 THR MG 3.950 . 3.950 3.673 3.619 3.783 . 0 0 "[ . 1 . 2]" 1
894 1 104 VAL QG 1 110 MET HA 4.280 . 4.280 2.302 2.259 2.342 . 0 0 "[ . 1 . 2]" 1
895 1 105 PRO QG 1 106 TRP QB 4.370 . 4.370 3.679 3.365 4.286 . 0 0 "[ . 1 . 2]" 1
896 1 106 TRP QB 1 107 GLN H 4.690 . 4.690 2.878 2.632 3.097 . 0 0 "[ . 1 . 2]" 1
897 1 106 TRP QB 1 107 GLN HA 4.530 . 4.530 4.253 4.042 4.502 . 0 0 "[ . 1 . 2]" 1
898 1 106 TRP QB 1 107 GLN QB 4.770 . 4.770 4.077 4.044 4.133 . 0 0 "[ . 1 . 2]" 1
899 1 107 GLN H 1 108 GLY H 4.490 . 4.490 2.112 1.958 2.343 . 0 0 "[ . 1 . 2]" 1
900 1 107 GLN QB 1 109 THR H 3.540 . 3.540 2.848 2.671 3.256 . 0 0 "[ . 1 . 2]" 1
901 1 107 GLN QB 1 109 THR HB 5.060 . 5.060 4.070 4.021 4.124 . 0 0 "[ . 1 . 2]" 1
902 1 107 GLN QB 1 109 THR MG 3.760 . 3.760 2.728 2.466 3.217 . 0 0 "[ . 1 . 2]" 1
903 1 108 GLY H 1 109 THR H 3.810 . 3.810 2.503 2.435 2.573 . 0 0 "[ . 1 . 2]" 1
904 1 108 GLY QA 1 109 THR H 3.170 . 3.170 2.844 2.749 2.880 . 0 0 "[ . 1 . 2]" 1
905 1 109 THR H 1 109 THR MG 3.670 . 3.670 3.020 2.872 3.385 . 0 0 "[ . 1 . 2]" 1
906 1 109 THR H 1 110 MET H 4.560 . 4.560 4.532 4.461 4.559 . 0 0 "[ . 1 . 2]" 1
907 1 109 THR HA 1 109 THR HB 2.950 . 2.950 2.629 2.607 2.675 . 0 0 "[ . 1 . 2]" 1
908 1 109 THR HA 1 109 THR MG 2.840 . 2.840 2.274 2.243 2.293 . 0 0 "[ . 1 . 2]" 1
909 1 109 THR HA 1 110 MET H 2.940 . 2.940 2.435 2.408 2.455 . 0 0 "[ . 1 . 2]" 1
910 1 109 THR HA 1 110 MET QB 4.510 . 4.510 4.317 4.268 4.516 0.006 15 0 "[ . 1 . 2]" 1
911 1 109 THR HB 1 110 MET H 3.330 . 3.330 2.443 2.398 2.485 . 0 0 "[ . 1 . 2]" 1
912 1 109 THR HB 1 110 MET HA 4.080 . 4.080 3.765 3.701 3.819 . 0 0 "[ . 1 . 2]" 1
913 1 109 THR HB 1 110 MET QB 4.910 . 4.910 4.795 4.749 4.830 . 0 0 "[ . 1 . 2]" 1
914 1 109 THR HB 1 110 MET QG 5.500 . 5.500 4.724 4.619 4.793 . 0 0 "[ . 1 . 2]" 1
915 1 109 THR MG 1 110 MET H 3.620 . 3.620 3.373 3.221 3.437 . 0 0 "[ . 1 . 2]" 1
916 1 110 MET H 1 110 MET QB 3.490 . 3.490 3.160 2.844 3.214 . 0 0 "[ . 1 . 2]" 1
917 1 110 MET H 1 110 MET QG 4.470 . 4.470 2.548 2.354 3.028 . 0 0 "[ . 1 . 2]" 1
918 1 110 MET H 1 111 THR H 4.470 . 4.470 4.373 4.321 4.407 . 0 0 "[ . 1 . 2]" 1
919 1 110 MET HA 1 110 MET QG 3.600 . 3.600 3.391 2.661 3.450 . 0 0 "[ . 1 . 2]" 1
920 1 110 MET HA 1 111 THR H 3.090 . 3.090 2.420 2.395 2.449 . 0 0 "[ . 1 . 2]" 1
921 1 110 MET QB 1 111 THR H 3.460 . 3.460 2.669 2.624 2.734 . 0 0 "[ . 1 . 2]" 1
922 1 110 MET QG 1 111 THR H 4.310 . 4.310 3.633 3.481 4.314 0.004 15 0 "[ . 1 . 2]" 1
923 1 111 THR H 1 111 THR HB 3.260 . 3.260 2.757 2.723 2.805 . 0 0 "[ . 1 . 2]" 1
924 1 111 THR H 1 111 THR MG 3.900 . 3.900 3.908 3.903 3.917 0.017 15 0 "[ . 1 . 2]" 1
925 1 111 THR H 1 112 LEU H 4.570 . 4.570 4.371 4.350 4.397 . 0 0 "[ . 1 . 2]" 1
926 1 111 THR HA 1 112 LEU H 2.980 . 2.980 2.304 2.283 2.328 . 0 0 "[ . 1 . 2]" 1
927 1 111 THR HA 1 112 LEU QB 4.290 . 4.290 4.140 4.090 4.227 . 0 0 "[ . 1 . 2]" 1
928 1 111 THR HB 1 112 LEU H 4.100 . 4.100 4.101 4.095 4.103 0.003 2 0 "[ . 1 . 2]" 1
929 1 111 THR HB 1 113 SER QB 5.500 . 5.500 4.655 4.521 5.000 . 0 0 "[ . 1 . 2]" 1
930 1 111 THR MG 1 112 LEU H 3.170 . 3.170 2.559 2.475 2.635 . 0 0 "[ . 1 . 2]" 1
931 1 111 THR MG 1 112 LEU QB 3.640 . 3.640 3.518 3.447 3.607 . 0 0 "[ . 1 . 2]" 1
932 1 111 THR MG 1 113 SER H 4.410 . 4.410 4.395 4.103 4.425 0.015 4 0 "[ . 1 . 2]" 1
933 1 111 THR MG 1 113 SER QB 4.680 . 4.680 4.508 4.430 4.688 0.008 15 0 "[ . 1 . 2]" 1
934 1 112 LEU H 1 112 LEU QB 3.390 . 3.390 2.175 2.138 2.233 . 0 0 "[ . 1 . 2]" 1
935 1 112 LEU H 1 112 LEU MD1 3.940 . 3.940 3.965 3.950 3.982 0.042 15 0 "[ . 1 . 2]" 1
936 1 112 LEU H 1 112 LEU HG 4.790 . 4.790 4.526 4.472 4.579 . 0 0 "[ . 1 . 2]" 1
937 1 112 LEU H 1 113 SER H 4.590 . 4.590 4.429 4.284 4.459 . 0 0 "[ . 1 . 2]" 1
938 1 112 LEU HA 1 112 LEU MD1 2.860 . 2.860 2.088 2.031 2.131 . 0 0 "[ . 1 . 2]" 1
939 1 112 LEU HA 1 112 LEU HG 3.740 . 3.740 3.084 2.988 3.147 . 0 0 "[ . 1 . 2]" 1
940 1 112 LEU HA 1 113 SER H 3.000 . 3.000 2.139 2.109 2.172 . 0 0 "[ . 1 . 2]" 1
941 1 112 LEU HA 1 114 LYS H 4.100 . 4.100 3.662 3.596 3.732 . 0 0 "[ . 1 . 2]" 1
942 1 112 LEU QB 1 113 SER H 4.170 . 4.170 3.896 3.847 3.982 . 0 0 "[ . 1 . 2]" 1
943 1 112 LEU QB 1 114 LYS H 5.060 . 5.060 4.444 4.330 4.571 . 0 0 "[ . 1 . 2]" 1
944 1 112 LEU MD1 1 113 SER H 3.200 . 3.200 2.995 2.932 3.053 . 0 0 "[ . 1 . 2]" 1
945 1 112 LEU MD1 1 113 SER QB 4.440 . 4.440 4.440 4.380 4.457 0.017 14 0 "[ . 1 . 2]" 1
946 1 112 LEU MD1 1 114 LYS H 3.520 . 3.520 3.055 2.967 3.180 . 0 0 "[ . 1 . 2]" 1
947 1 112 LEU MD1 1 114 LYS HA 5.500 . 5.500 4.906 4.730 5.029 . 0 0 "[ . 1 . 2]" 1
948 1 112 LEU MD1 1 115 SER HA 4.340 . 4.340 3.776 3.636 3.882 . 0 0 "[ . 1 . 2]" 1
949 1 112 LEU MD2 1 114 LYS HA 5.500 . 5.500 4.974 4.617 5.198 . 0 0 "[ . 1 . 2]" 1
950 1 112 LEU MD2 1 115 SER HA 4.630 . 4.630 3.837 3.526 4.086 . 0 0 "[ . 1 . 2]" 1
951 1 112 LEU MD2 1 115 SER QB 3.170 . 3.170 2.024 1.922 2.113 . 0 0 "[ . 1 . 2]" 1
952 1 112 LEU HG 1 113 SER H 4.100 . 4.100 3.572 3.373 3.775 . 0 0 "[ . 1 . 2]" 1
953 1 112 LEU HG 1 114 LYS HA 4.280 . 4.280 4.136 3.876 4.282 0.002 2 0 "[ . 1 . 2]" 1
954 1 112 LEU HG 1 115 SER HA 4.560 . 4.560 4.482 4.254 4.562 0.002 9 0 "[ . 1 . 2]" 1
955 1 113 SER H 1 113 SER QB 3.530 . 3.530 2.248 2.213 2.279 . 0 0 "[ . 1 . 2]" 1
956 1 113 SER H 1 114 LYS H 3.210 . 3.210 2.337 2.252 2.499 . 0 0 "[ . 1 . 2]" 1
957 1 113 SER QB 1 114 LYS H 3.670 . 3.670 2.765 2.646 2.888 . 0 0 "[ . 1 . 2]" 1
958 1 113 SER QB 1 114 LYS QB 4.380 . 4.380 3.447 3.349 3.551 . 0 0 "[ . 1 . 2]" 1
959 1 113 SER QB 1 114 LYS QG 5.500 . 5.500 5.261 4.877 5.466 . 0 0 "[ . 1 . 2]" 1
960 1 114 LYS H 1 114 LYS QB 3.140 . 3.140 2.750 2.663 2.864 . 0 0 "[ . 1 . 2]" 1
961 1 114 LYS H 1 115 SER HA 5.100 . 5.100 4.885 4.842 4.933 . 0 0 "[ . 1 . 2]" 1
962 1 114 LYS HA 1 114 LYS QE 4.440 . 4.440 4.314 3.832 4.450 0.010 20 0 "[ . 1 . 2]" 1
963 1 114 LYS HA 1 114 LYS QG 3.880 . 3.880 2.732 2.362 3.240 . 0 0 "[ . 1 . 2]" 1
964 1 114 LYS HA 1 115 SER H 3.350 . 3.350 2.151 2.085 2.196 . 0 0 "[ . 1 . 2]" 1
965 1 114 LYS QB 1 114 LYS QE 3.970 . 3.970 2.739 2.010 3.512 . 0 0 "[ . 1 . 2]" 1
966 1 114 LYS QB 1 115 SER H 3.820 . 3.820 3.546 3.243 3.712 . 0 0 "[ . 1 . 2]" 1
967 1 114 LYS QB 1 115 SER HA 4.860 . 4.860 4.543 4.243 4.756 . 0 0 "[ . 1 . 2]" 1
968 1 114 LYS QB 1 116 THR H 5.380 . 5.380 5.273 4.949 5.392 0.012 17 0 "[ . 1 . 2]" 1
969 1 114 LYS QB 1 116 THR HB 5.500 . 5.500 5.014 4.722 5.247 . 0 0 "[ . 1 . 2]" 1
970 1 114 LYS QE 1 116 THR MG 3.660 . 3.660 2.984 2.340 3.677 0.017 2 0 "[ . 1 . 2]" 1
971 1 114 LYS QG 1 115 SER H 4.000 . 4.000 2.681 2.416 3.350 . 0 0 "[ . 1 . 2]" 1
972 1 115 SER H 1 116 THR HB 4.380 . 4.380 4.321 4.073 4.383 0.003 12 0 "[ . 1 . 2]" 1
973 1 115 SER HA 1 116 THR H 2.880 . 2.880 2.173 2.079 2.212 . 0 0 "[ . 1 . 2]" 1
974 1 115 SER HA 1 116 THR HA 4.420 . 4.420 4.420 4.396 4.424 0.004 3 0 "[ . 1 . 2]" 1
975 1 115 SER HA 1 116 THR MG 4.370 . 4.370 4.011 3.892 4.386 0.016 12 0 "[ . 1 . 2]" 1
976 1 115 SER QB 1 116 THR H 4.200 . 4.200 3.479 3.299 3.920 . 0 0 "[ . 1 . 2]" 1
977 1 116 THR H 1 116 THR HB 3.270 . 3.270 3.216 2.835 3.273 0.003 11 0 "[ . 1 . 2]" 1
978 1 116 THR H 1 116 THR MG 3.570 . 3.570 2.403 2.267 2.613 . 0 0 "[ . 1 . 2]" 1
979 1 116 THR HA 1 116 THR MG 3.310 . 3.310 3.233 3.154 3.245 . 0 0 "[ . 1 . 2]" 1
980 1 116 THR MG 1 117 CYS HA 4.390 . 4.390 3.649 3.182 3.816 . 0 0 "[ . 1 . 2]" 1
981 1 116 THR MG 1 118 GLN QG 5.170 . 5.170 4.924 4.288 5.235 0.065 12 0 "[ . 1 . 2]" 1
982 1 117 CYS HA 1 118 GLN H 3.080 . 3.080 2.405 2.352 2.511 . 0 0 "[ . 1 . 2]" 1
983 1 117 CYS HA 1 118 GLN QG 4.610 . 4.610 3.761 3.137 4.188 . 0 0 "[ . 1 . 2]" 1
984 1 117 CYS QB 1 118 GLN H 3.570 . 3.570 2.311 1.940 2.752 . 0 0 "[ . 1 . 2]" 1
985 1 118 GLN H 1 118 GLN QB 3.590 . 3.590 2.466 2.103 2.949 . 0 0 "[ . 1 . 2]" 1
986 1 118 GLN H 1 118 GLN QG 3.730 . 3.730 3.074 1.686 3.362 . 0 0 "[ . 1 . 2]" 1
987 1 118 GLN H 1 119 ASP H 4.750 . 4.750 4.456 4.302 4.579 . 0 0 "[ . 1 . 2]" 1
988 1 118 GLN QB 1 119 ASP H 3.380 . 3.380 2.748 2.533 3.066 . 0 0 "[ . 1 . 2]" 1
989 1 118 GLN QG 1 119 ASP H 4.490 . 4.490 4.273 3.661 4.498 0.008 11 0 "[ . 1 . 2]" 1
990 1 119 ASP H 1 119 ASP QB 3.590 . 3.590 2.376 2.183 2.594 . 0 0 "[ . 1 . 2]" 1
991 1 119 ASP H 1 120 ALA H 4.640 . 4.640 4.622 4.484 4.642 0.002 4 0 "[ . 1 . 2]" 1
992 1 119 ASP HA 1 120 ALA H 3.200 . 3.200 2.243 2.155 2.372 . 0 0 "[ . 1 . 2]" 1
993 1 119 ASP QB 1 120 ALA H 3.990 . 3.990 2.898 2.647 3.615 . 0 0 "[ . 1 . 2]" 1
994 1 119 ASP QB 1 120 ALA HA 4.470 . 4.470 4.247 3.867 4.487 0.017 9 0 "[ . 1 . 2]" 1
995 1 119 ASP QB 1 120 ALA MB 5.340 . 5.340 4.385 3.041 4.815 . 0 0 "[ . 1 . 2]" 1
996 1 120 ALA H 1 120 ALA MB 3.030 . 3.030 2.533 2.222 2.895 . 0 0 "[ . 1 . 2]" 1
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