NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
487399 |
2kol   |
16519 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kol
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 1358
_Distance_constraint_stats_list.Viol_count 2087
_Distance_constraint_stats_list.Viol_total 2382.502
_Distance_constraint_stats_list.Viol_max 0.278
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0571
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 0.358 0.081 2 0 "[ . 1 . 2]"
1 2 PRO 0.182 0.112 9 0 "[ . 1 . 2]"
1 3 VAL 0.542 0.129 5 0 "[ . 1 . 2]"
1 4 SER 0.415 0.129 5 0 "[ . 1 . 2]"
1 5 LEU 0.980 0.136 9 0 "[ . 1 . 2]"
1 6 SER 0.634 0.136 9 0 "[ . 1 . 2]"
1 7 TYR 2.561 0.261 12 0 "[ . 1 . 2]"
1 8 ARG 3.550 0.261 12 0 "[ . 1 . 2]"
1 9 CYS 2.410 0.162 2 0 "[ . 1 . 2]"
1 10 PRO 1.504 0.084 17 0 "[ . 1 . 2]"
1 11 CYS 1.199 0.082 7 0 "[ . 1 . 2]"
1 12 ARG 0.481 0.071 15 0 "[ . 1 . 2]"
1 13 PHE 0.834 0.071 15 0 "[ . 1 . 2]"
1 14 PHE 5.894 0.124 1 0 "[ . 1 . 2]"
1 15 GLU 2.122 0.090 15 0 "[ . 1 . 2]"
1 16 SER 0.724 0.067 1 0 "[ . 1 . 2]"
1 17 HIS 1.286 0.086 19 0 "[ . 1 . 2]"
1 18 VAL 1.772 0.112 3 0 "[ . 1 . 2]"
1 19 ALA 1.082 0.073 8 0 "[ . 1 . 2]"
1 20 ARG 3.153 0.092 13 0 "[ . 1 . 2]"
1 21 ALA 0.048 0.019 6 0 "[ . 1 . 2]"
1 22 ASN 0.759 0.157 15 0 "[ . 1 . 2]"
1 23 VAL 2.144 0.088 17 0 "[ . 1 . 2]"
1 24 LYS 11.317 0.255 16 0 "[ . 1 . 2]"
1 25 ARG 1.688 0.112 16 0 "[ . 1 . 2]"
1 26 LEU 7.985 0.192 4 0 "[ . 1 . 2]"
1 27 LYS 4.032 0.192 4 0 "[ . 1 . 2]"
1 28 ILE 3.634 0.158 6 0 "[ . 1 . 2]"
1 29 LEU 0.851 0.076 3 0 "[ . 1 . 2]"
1 30 ASN 1.842 0.157 8 0 "[ . 1 . 2]"
1 31 THR 3.685 0.174 4 0 "[ . 1 . 2]"
1 32 PRO 0.777 0.084 6 0 "[ . 1 . 2]"
1 33 ASN 2.751 0.238 5 0 "[ . 1 . 2]"
1 34 CYS 5.817 0.238 5 0 "[ . 1 . 2]"
1 35 ALA 1.656 0.205 5 0 "[ . 1 . 2]"
1 36 LEU 3.661 0.205 5 0 "[ . 1 . 2]"
1 37 GLN 1.687 0.135 13 0 "[ . 1 . 2]"
1 38 ILE 2.180 0.181 9 0 "[ . 1 . 2]"
1 39 VAL 2.973 0.137 20 0 "[ . 1 . 2]"
1 40 ALA 2.399 0.112 3 0 "[ . 1 . 2]"
1 41 ARG 6.182 0.113 5 0 "[ . 1 . 2]"
1 42 LEU 8.967 0.243 13 0 "[ . 1 . 2]"
1 43 LYS 5.095 0.189 8 0 "[ . 1 . 2]"
1 44 ASN 0.429 0.067 16 0 "[ . 1 . 2]"
1 45 ASN 4.359 0.243 13 0 "[ . 1 . 2]"
1 46 ASN 0.790 0.113 5 0 "[ . 1 . 2]"
1 47 ARG 4.061 0.235 13 0 "[ . 1 . 2]"
1 48 GLN 8.214 0.169 13 0 "[ . 1 . 2]"
1 49 VAL 1.058 0.073 3 0 "[ . 1 . 2]"
1 50 CYS 4.984 0.157 18 0 "[ . 1 . 2]"
1 51 ILE 2.120 0.090 15 0 "[ . 1 . 2]"
1 52 ASP 2.622 0.124 1 0 "[ . 1 . 2]"
1 53 PRO 1.563 0.118 19 0 "[ . 1 . 2]"
1 54 LYS 0.906 0.278 9 0 "[ . 1 . 2]"
1 55 LEU 2.387 0.074 13 0 "[ . 1 . 2]"
1 56 LYS 1.082 0.114 1 0 "[ . 1 . 2]"
1 57 TRP 7.202 0.138 17 0 "[ . 1 . 2]"
1 58 ILE 5.431 0.147 13 0 "[ . 1 . 2]"
1 59 GLN 5.780 0.142 18 0 "[ . 1 . 2]"
1 60 GLU 4.883 0.216 6 0 "[ . 1 . 2]"
1 61 TYR 6.196 0.147 13 0 "[ . 1 . 2]"
1 62 LEU 8.390 0.166 3 0 "[ . 1 . 2]"
1 63 GLU 9.327 0.216 6 0 "[ . 1 . 2]"
1 64 LYS 3.745 0.164 3 0 "[ . 1 . 2]"
1 65 ALA 3.886 0.167 20 0 "[ . 1 . 2]"
1 66 LEU 3.643 0.184 5 0 "[ . 1 . 2]"
1 67 ASN 4.035 0.184 5 0 "[ . 1 . 2]"
1 68 LYS 1.879 0.141 7 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 1 LYS HA 1 2 PRO QD . . 3.590 2.075 1.866 3.608 0.018 4 0 "[ . 1 . 2]" 1
2 1 1 LYS QB 1 1 LYS QD . . 2.260 2.142 2.036 2.272 0.012 11 0 "[ . 1 . 2]" 1
3 1 1 LYS HB2 1 1 LYS QD . . 2.750 2.407 2.309 2.821 0.071 8 0 "[ . 1 . 2]" 1
4 1 1 LYS HB3 1 1 LYS QD . . 2.750 2.436 2.262 2.831 0.081 2 0 "[ . 1 . 2]" 1
5 1 2 PRO HA 1 3 VAL H . . 3.150 2.305 2.142 3.262 0.112 9 0 "[ . 1 . 2]" 1
6 1 3 VAL H 1 3 VAL HB . . 3.990 3.104 2.518 3.786 . 0 0 "[ . 1 . 2]" 1
7 1 3 VAL H 1 3 VAL QG . . 3.860 2.164 1.885 2.749 . 0 0 "[ . 1 . 2]" 1
8 1 3 VAL HA 1 4 SER H . . 3.210 2.416 2.050 3.339 0.129 5 0 "[ . 1 . 2]" 1
9 1 3 VAL HB 1 4 SER H . . 4.700 4.121 2.784 4.456 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL QG 1 4 SER H . . 4.580 2.979 2.239 3.695 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL QG 1 4 SER HA . . 5.500 3.778 3.208 4.285 . 0 0 "[ . 1 . 2]" 1
12 1 4 SER HA 1 5 LEU H . . 3.160 2.357 2.112 3.192 0.032 17 0 "[ . 1 . 2]" 1
13 1 4 SER QB 1 5 LEU H . . 4.680 3.515 2.460 4.019 . 0 0 "[ . 1 . 2]" 1
14 1 5 LEU H 1 5 LEU QB . . 3.220 2.526 2.221 3.006 . 0 0 "[ . 1 . 2]" 1
15 1 5 LEU H 1 5 LEU QD . . 5.160 3.216 1.616 3.942 . 0 0 "[ . 1 . 2]" 1
16 1 5 LEU H 1 5 LEU HG . . 4.970 3.722 2.572 4.909 . 0 0 "[ . 1 . 2]" 1
17 1 5 LEU H 1 6 SER H . . 3.650 3.145 2.005 3.786 0.136 9 0 "[ . 1 . 2]" 1
18 1 5 LEU QB 1 5 LEU HG . . 2.330 2.321 2.154 2.385 0.055 6 0 "[ . 1 . 2]" 1
19 1 5 LEU QB 1 6 SER H . . 4.350 3.256 1.939 4.003 . 0 0 "[ . 1 . 2]" 1
20 1 5 LEU QB 1 6 SER QB . . 5.340 4.568 3.364 5.468 0.128 2 0 "[ . 1 . 2]" 1
21 1 5 LEU QD 1 6 SER H . . 5.280 3.661 2.612 4.369 . 0 0 "[ . 1 . 2]" 1
22 1 6 SER H 1 6 SER QB . . 3.420 2.752 2.240 3.203 . 0 0 "[ . 1 . 2]" 1
23 1 6 SER HA 1 7 TYR H . . 3.130 2.277 2.143 2.843 . 0 0 "[ . 1 . 2]" 1
24 1 6 SER QB 1 7 TYR H . . 4.090 3.313 1.895 3.743 . 0 0 "[ . 1 . 2]" 1
25 1 6 SER QB 1 7 TYR QD . . 5.500 5.096 4.377 5.511 0.011 11 0 "[ . 1 . 2]" 1
26 1 7 TYR H 1 7 TYR HB3 . . 3.490 3.269 2.711 3.570 0.080 14 0 "[ . 1 . 2]" 1
27 1 7 TYR H 1 7 TYR QD . . 4.180 2.988 2.151 4.273 0.093 14 0 "[ . 1 . 2]" 1
28 1 7 TYR HA 1 8 ARG H . . 3.170 2.144 1.883 2.570 . 0 0 "[ . 1 . 2]" 1
29 1 7 TYR HA 1 8 ARG HB2 . . 5.500 5.493 4.622 5.628 0.128 14 0 "[ . 1 . 2]" 1
30 1 7 TYR HA 1 8 ARG HB3 . . 5.500 4.442 4.145 4.861 . 0 0 "[ . 1 . 2]" 1
31 1 7 TYR HA 1 9 CYS H . . 5.290 3.526 2.700 4.211 . 0 0 "[ . 1 . 2]" 1
32 1 7 TYR HB2 1 8 ARG H . . 4.380 3.020 2.027 4.406 0.026 11 0 "[ . 1 . 2]" 1
33 1 7 TYR HB2 1 9 CYS H . . 5.070 3.040 2.200 5.032 . 0 0 "[ . 1 . 2]" 1
34 1 7 TYR HB3 1 8 ARG H . . 4.270 3.875 3.518 4.315 0.045 14 0 "[ . 1 . 2]" 1
35 1 7 TYR QD 1 8 ARG H . . 4.810 3.747 2.509 4.662 . 0 0 "[ . 1 . 2]" 1
36 1 7 TYR QD 1 8 ARG HA . . 5.500 4.108 2.815 5.354 . 0 0 "[ . 1 . 2]" 1
37 1 7 TYR QD 1 8 ARG QD . . 5.500 5.407 4.826 5.761 0.261 12 0 "[ . 1 . 2]" 1
38 1 7 TYR QD 1 9 CYS H . . 5.210 2.930 1.837 3.886 . 0 0 "[ . 1 . 2]" 1
39 1 7 TYR QE 1 10 PRO HA . . 3.900 3.555 2.156 3.984 0.084 17 0 "[ . 1 . 2]" 1
40 1 8 ARG H 1 8 ARG QD . . 5.500 2.691 1.600 4.251 . 0 0 "[ . 1 . 2]" 1
41 1 8 ARG H 1 8 ARG QG . . 3.840 2.579 1.706 3.928 0.088 2 0 "[ . 1 . 2]" 1
42 1 8 ARG HA 1 9 CYS H . . 3.140 3.184 3.053 3.302 0.162 2 0 "[ . 1 . 2]" 1
43 1 8 ARG HA 1 9 CYS HA . . 5.500 4.477 4.352 4.629 . 0 0 "[ . 1 . 2]" 1
44 1 8 ARG QB 1 9 CYS H . . 4.190 3.761 2.510 3.957 . 0 0 "[ . 1 . 2]" 1
45 1 8 ARG QG 1 9 CYS H . . 4.210 3.279 2.403 3.756 . 0 0 "[ . 1 . 2]" 1
46 1 8 ARG QG 1 9 CYS HB2 . . 5.500 4.293 2.978 4.954 . 0 0 "[ . 1 . 2]" 1
47 1 8 ARG QG 1 9 CYS HB3 . . 5.500 4.998 4.030 5.641 0.141 19 0 "[ . 1 . 2]" 1
48 1 9 CYS CB 1 34 CYS SG . . 3.100 3.040 2.980 3.086 . 0 0 "[ . 1 . 2]" 1
49 1 9 CYS H 1 9 CYS HB2 . . 3.600 2.644 2.472 3.032 . 0 0 "[ . 1 . 2]" 1
50 1 9 CYS H 1 9 CYS HB3 . . 3.990 3.630 2.603 3.849 . 0 0 "[ . 1 . 2]" 1
51 1 9 CYS HA 1 10 PRO HB2 . . 5.500 5.207 4.853 5.540 0.040 5 0 "[ . 1 . 2]" 1
52 1 9 CYS HA 1 10 PRO HB3 . . 5.500 5.405 4.876 5.567 0.067 10 0 "[ . 1 . 2]" 1
53 1 9 CYS HA 1 10 PRO QD . . 3.510 1.982 1.924 2.050 . 0 0 "[ . 1 . 2]" 1
54 1 9 CYS HA 1 10 PRO QG . . 5.200 3.877 3.809 3.944 . 0 0 "[ . 1 . 2]" 1
55 1 9 CYS HA 1 31 THR MG . . 4.930 4.380 3.456 5.037 0.107 17 0 "[ . 1 . 2]" 1
56 1 9 CYS HB2 1 10 PRO QD . . 4.800 3.901 3.745 4.011 . 0 0 "[ . 1 . 2]" 1
57 1 9 CYS HB2 1 11 CYS H . . 5.420 3.839 3.323 4.984 . 0 0 "[ . 1 . 2]" 1
58 1 9 CYS HB3 1 10 PRO QD . . 4.530 2.833 2.360 3.802 . 0 0 "[ . 1 . 2]" 1
59 1 9 CYS HB3 1 10 PRO QG . . 5.500 4.581 3.740 5.531 0.031 17 0 "[ . 1 . 2]" 1
60 1 9 CYS HB3 1 11 CYS H . . 4.660 3.095 2.611 3.812 . 0 0 "[ . 1 . 2]" 1
61 1 9 CYS HB3 1 14 PHE QE . . 5.500 5.121 4.029 5.599 0.099 20 0 "[ . 1 . 2]" 1
62 1 9 CYS HB3 1 37 GLN QE . . 5.340 4.283 3.418 5.205 . 0 0 "[ . 1 . 2]" 1
63 1 9 CYS SG 1 34 CYS CB . . 3.100 3.034 2.996 3.063 . 0 0 "[ . 1 . 2]" 1
64 1 9 CYS SG 1 34 CYS SG . . 2.100 2.024 2.004 2.041 . 0 0 "[ . 1 . 2]" 1
65 1 10 PRO HA 1 12 ARG H . . 5.500 5.242 4.466 5.557 0.057 11 0 "[ . 1 . 2]" 1
66 1 10 PRO HB3 1 11 CYS H . . 4.290 3.955 3.660 4.319 0.029 15 0 "[ . 1 . 2]" 1
67 1 10 PRO HB3 1 29 LEU QD . . 5.060 4.212 2.903 5.103 0.043 17 0 "[ . 1 . 2]" 1
68 1 10 PRO QD 1 11 CYS H . . 4.240 2.826 2.544 3.175 . 0 0 "[ . 1 . 2]" 1
69 1 10 PRO QD 1 29 LEU QD . . 5.500 4.101 2.939 5.364 . 0 0 "[ . 1 . 2]" 1
70 1 10 PRO QD 1 31 THR MG . . 3.940 2.908 2.242 3.639 . 0 0 "[ . 1 . 2]" 1
71 1 10 PRO QD 1 34 CYS HB2 . . 5.500 3.690 2.986 4.567 . 0 0 "[ . 1 . 2]" 1
72 1 10 PRO QD 1 34 CYS HB3 . . 5.500 4.038 3.404 5.107 . 0 0 "[ . 1 . 2]" 1
73 1 10 PRO QD 1 37 GLN HE21 . . 5.110 3.330 2.146 4.719 . 0 0 "[ . 1 . 2]" 1
74 1 10 PRO QD 1 37 GLN HE22 . . 5.110 3.160 1.707 4.263 . 0 0 "[ . 1 . 2]" 1
75 1 10 PRO QD 1 37 GLN QG . . 5.070 2.635 1.881 4.689 . 0 0 "[ . 1 . 2]" 1
76 1 10 PRO QG 1 11 CYS H . . 4.000 3.361 2.012 3.855 . 0 0 "[ . 1 . 2]" 1
77 1 10 PRO QG 1 29 LEU QD . . 4.540 2.886 1.967 4.244 . 0 0 "[ . 1 . 2]" 1
78 1 10 PRO QG 1 34 CYS HB2 . . 5.500 5.285 4.474 5.572 0.072 16 0 "[ . 1 . 2]" 1
79 1 10 PRO QG 1 37 GLN QE . . 5.340 2.945 1.788 4.178 . 0 0 "[ . 1 . 2]" 1
80 1 11 CYS CB 1 50 CYS SG . . 3.100 3.006 2.967 3.041 . 0 0 "[ . 1 . 2]" 1
81 1 11 CYS H 1 11 CYS HB2 . . 3.770 2.553 2.432 2.746 . 0 0 "[ . 1 . 2]" 1
82 1 11 CYS H 1 11 CYS HB3 . . 4.050 3.707 3.637 3.803 . 0 0 "[ . 1 . 2]" 1
83 1 11 CYS H 1 13 PHE H . . 5.500 5.420 5.055 5.559 0.059 3 0 "[ . 1 . 2]" 1
84 1 11 CYS H 1 14 PHE QE . . 5.500 5.024 4.572 5.337 . 0 0 "[ . 1 . 2]" 1
85 1 11 CYS H 1 31 THR MG . . 5.500 5.452 5.124 5.582 0.082 7 0 "[ . 1 . 2]" 1
86 1 11 CYS H 1 37 GLN QG . . 4.970 2.362 1.655 4.940 . 0 0 "[ . 1 . 2]" 1
87 1 11 CYS HA 1 13 PHE H . . 4.200 3.214 2.824 3.735 . 0 0 "[ . 1 . 2]" 1
88 1 11 CYS HB2 1 14 PHE HZ . . 5.500 3.108 2.878 3.478 . 0 0 "[ . 1 . 2]" 1
89 1 11 CYS HB2 1 39 VAL QG . . 5.500 4.960 4.400 5.413 . 0 0 "[ . 1 . 2]" 1
90 1 11 CYS HB3 1 12 ARG H . . 5.030 3.670 3.226 4.007 . 0 0 "[ . 1 . 2]" 1
91 1 11 CYS HB3 1 12 ARG HA . . 5.500 4.847 4.637 5.035 . 0 0 "[ . 1 . 2]" 1
92 1 11 CYS HB3 1 14 PHE HZ . . 5.500 3.985 3.608 4.444 . 0 0 "[ . 1 . 2]" 1
93 1 11 CYS HB3 1 50 CYS HB3 . . 4.660 2.352 2.110 2.724 . 0 0 "[ . 1 . 2]" 1
94 1 11 CYS HB3 1 51 ILE H . . 5.500 5.391 4.782 5.558 0.058 11 0 "[ . 1 . 2]" 1
95 1 11 CYS SG 1 50 CYS CB . . 3.100 3.043 2.993 3.075 . 0 0 "[ . 1 . 2]" 1
96 1 11 CYS SG 1 50 CYS SG . . 2.100 2.030 2.012 2.040 . 0 0 "[ . 1 . 2]" 1
97 1 12 ARG H 1 12 ARG QB . . 3.470 2.415 2.215 3.076 . 0 0 "[ . 1 . 2]" 1
98 1 12 ARG H 1 12 ARG QD . . 5.170 4.514 3.818 5.210 0.040 15 0 "[ . 1 . 2]" 1
99 1 12 ARG H 1 12 ARG HG2 . . 5.500 4.167 1.868 4.861 . 0 0 "[ . 1 . 2]" 1
100 1 12 ARG H 1 12 ARG HG3 . . 5.500 4.211 2.383 4.701 . 0 0 "[ . 1 . 2]" 1
101 1 12 ARG H 1 13 PHE H . . 3.270 2.232 1.918 3.341 0.071 15 0 "[ . 1 . 2]" 1
102 1 12 ARG HA 1 12 ARG QD . . 4.960 3.737 2.004 4.257 . 0 0 "[ . 1 . 2]" 1
103 1 12 ARG HA 1 14 PHE QE . . 5.500 4.344 3.438 5.445 . 0 0 "[ . 1 . 2]" 1
104 1 12 ARG QB 1 13 PHE H . . 3.560 2.866 2.534 3.603 0.043 3 0 "[ . 1 . 2]" 1
105 1 12 ARG QB 1 13 PHE QD . . 5.340 3.092 2.577 4.206 . 0 0 "[ . 1 . 2]" 1
106 1 12 ARG HB2 1 13 PHE QE . . 5.500 4.673 3.295 5.410 . 0 0 "[ . 1 . 2]" 1
107 1 12 ARG HB3 1 13 PHE QE . . 5.500 3.802 3.222 5.502 0.002 3 0 "[ . 1 . 2]" 1
108 1 12 ARG QD 1 13 PHE QE . . 5.500 3.612 2.366 5.497 . 0 0 "[ . 1 . 2]" 1
109 1 12 ARG HG2 1 13 PHE H . . 5.500 4.360 3.007 5.177 . 0 0 "[ . 1 . 2]" 1
110 1 12 ARG HG3 1 13 PHE H . . 5.500 4.684 2.782 5.308 . 0 0 "[ . 1 . 2]" 1
111 1 13 PHE H 1 13 PHE HB2 . . 4.060 2.576 2.479 2.737 . 0 0 "[ . 1 . 2]" 1
112 1 13 PHE H 1 13 PHE QD . . 4.690 2.823 2.404 3.330 . 0 0 "[ . 1 . 2]" 1
113 1 13 PHE H 1 14 PHE H . . 4.830 4.401 4.307 4.488 . 0 0 "[ . 1 . 2]" 1
114 1 13 PHE H 1 50 CYS HB2 . . 5.500 4.322 3.770 4.635 . 0 0 "[ . 1 . 2]" 1
115 1 13 PHE HA 1 13 PHE QD . . 3.450 2.843 2.588 3.078 . 0 0 "[ . 1 . 2]" 1
116 1 13 PHE HA 1 14 PHE H . . 3.150 2.222 2.107 2.324 . 0 0 "[ . 1 . 2]" 1
117 1 13 PHE HA 1 50 CYS HB2 . . 5.500 5.327 4.894 5.525 0.025 8 0 "[ . 1 . 2]" 1
118 1 13 PHE HB2 1 14 PHE H . . 3.930 3.863 3.558 3.978 0.048 8 0 "[ . 1 . 2]" 1
119 1 13 PHE HB3 1 14 PHE H . . 4.310 2.850 2.404 3.166 . 0 0 "[ . 1 . 2]" 1
120 1 13 PHE QD 1 14 PHE H . . 4.550 3.954 3.675 4.288 . 0 0 "[ . 1 . 2]" 1
121 1 14 PHE H 1 14 PHE HB2 . . 3.560 2.665 2.485 2.823 . 0 0 "[ . 1 . 2]" 1
122 1 14 PHE H 1 14 PHE QD . . 4.020 3.431 2.927 3.844 . 0 0 "[ . 1 . 2]" 1
123 1 14 PHE H 1 15 GLU H . . 4.730 4.291 4.111 4.425 . 0 0 "[ . 1 . 2]" 1
124 1 14 PHE H 1 50 CYS HB2 . . 5.500 4.771 4.503 4.963 . 0 0 "[ . 1 . 2]" 1
125 1 14 PHE H 1 50 CYS HB3 . . 5.500 5.594 5.563 5.618 0.118 19 0 "[ . 1 . 2]" 1
126 1 14 PHE HA 1 14 PHE QD . . 3.540 2.536 2.330 2.691 . 0 0 "[ . 1 . 2]" 1
127 1 14 PHE HA 1 14 PHE QE . . 4.380 4.430 4.379 4.467 0.087 13 0 "[ . 1 . 2]" 1
128 1 14 PHE HA 1 15 GLU H . . 3.330 2.202 2.103 2.282 . 0 0 "[ . 1 . 2]" 1
129 1 14 PHE HA 1 50 CYS HB2 . . 4.710 2.652 2.471 2.940 . 0 0 "[ . 1 . 2]" 1
130 1 14 PHE HA 1 50 CYS HB3 . . 5.050 3.174 3.048 3.367 . 0 0 "[ . 1 . 2]" 1
131 1 14 PHE HB2 1 15 GLU H . . 4.940 4.031 3.921 4.239 . 0 0 "[ . 1 . 2]" 1
132 1 14 PHE HB2 1 52 ASP HA . . 4.880 3.589 3.218 3.921 . 0 0 "[ . 1 . 2]" 1
133 1 14 PHE HB2 1 52 ASP HB2 . . 5.320 2.952 2.528 3.418 . 0 0 "[ . 1 . 2]" 1
134 1 14 PHE HB3 1 15 GLU H . . 3.970 2.942 2.747 3.228 . 0 0 "[ . 1 . 2]" 1
135 1 14 PHE HB3 1 52 ASP HA . . 4.850 2.360 2.052 2.705 . 0 0 "[ . 1 . 2]" 1
136 1 14 PHE HB3 1 52 ASP HB2 . . 5.250 2.117 1.946 2.251 . 0 0 "[ . 1 . 2]" 1
137 1 14 PHE QD 1 15 GLU H . . 4.440 3.613 3.449 3.793 . 0 0 "[ . 1 . 2]" 1
138 1 14 PHE QD 1 38 ILE HB . . 4.940 4.314 4.033 4.513 . 0 0 "[ . 1 . 2]" 1
139 1 14 PHE QD 1 38 ILE MD . . 5.070 4.817 4.624 5.013 . 0 0 "[ . 1 . 2]" 1
140 1 14 PHE QD 1 50 CYS HB2 . . 3.530 3.568 3.540 3.602 0.072 18 0 "[ . 1 . 2]" 1
141 1 14 PHE QD 1 50 CYS HB3 . . 3.710 2.671 2.444 2.875 . 0 0 "[ . 1 . 2]" 1
142 1 14 PHE QD 1 51 ILE H . . 5.500 3.451 3.196 3.644 . 0 0 "[ . 1 . 2]" 1
143 1 14 PHE QD 1 51 ILE HA . . 3.890 3.815 3.486 3.930 0.040 4 0 "[ . 1 . 2]" 1
144 1 14 PHE QD 1 52 ASP H . . 4.760 3.829 3.759 3.902 . 0 0 "[ . 1 . 2]" 1
145 1 14 PHE QD 1 52 ASP HA . . 5.500 2.803 2.648 2.980 . 0 0 "[ . 1 . 2]" 1
146 1 14 PHE QD 1 52 ASP HB2 . . 4.030 3.991 3.787 4.077 0.047 1 0 "[ . 1 . 2]" 1
147 1 14 PHE QD 1 52 ASP HB3 . . 5.500 5.052 4.987 5.116 . 0 0 "[ . 1 . 2]" 1
148 1 14 PHE QD 1 53 PRO HD2 . . 4.570 4.046 3.806 4.284 . 0 0 "[ . 1 . 2]" 1
149 1 14 PHE QD 1 53 PRO HD3 . . 5.500 3.545 3.118 4.059 . 0 0 "[ . 1 . 2]" 1
150 1 14 PHE QE 1 50 CYS HB2 . . 5.500 4.573 4.397 4.664 . 0 0 "[ . 1 . 2]" 1
151 1 14 PHE QE 1 50 CYS HB3 . . 4.010 3.125 2.969 3.239 . 0 0 "[ . 1 . 2]" 1
152 1 14 PHE QE 1 52 ASP HA . . 3.960 4.031 3.974 4.084 0.124 1 0 "[ . 1 . 2]" 1
153 1 14 PHE HZ 1 53 PRO HD2 . . 5.060 5.009 4.665 5.094 0.034 14 0 "[ . 1 . 2]" 1
154 1 14 PHE HZ 1 53 PRO HD3 . . 4.570 4.272 3.918 4.589 0.019 5 0 "[ . 1 . 2]" 1
155 1 14 PHE HZ 1 53 PRO HG3 . . 5.270 4.723 3.999 5.286 0.016 13 0 "[ . 1 . 2]" 1
156 1 15 GLU H 1 15 GLU HB2 . . 3.900 2.886 2.573 2.960 . 0 0 "[ . 1 . 2]" 1
157 1 15 GLU H 1 15 GLU HB3 . . 3.750 2.564 2.416 2.701 . 0 0 "[ . 1 . 2]" 1
158 1 15 GLU H 1 15 GLU QG . . 4.100 4.027 3.983 4.100 . 0 0 "[ . 1 . 2]" 1
159 1 15 GLU H 1 18 VAL QG . . 4.710 3.942 3.663 4.746 0.036 9 0 "[ . 1 . 2]" 1
160 1 15 GLU H 1 50 CYS HB2 . . 4.500 3.895 3.657 4.206 . 0 0 "[ . 1 . 2]" 1
161 1 15 GLU H 1 50 CYS HB3 . . 4.810 4.442 4.310 4.629 . 0 0 "[ . 1 . 2]" 1
162 1 15 GLU H 1 51 ILE H . . 4.920 4.387 4.240 4.480 . 0 0 "[ . 1 . 2]" 1
163 1 15 GLU H 1 51 ILE HA . . 5.000 2.578 2.326 2.719 . 0 0 "[ . 1 . 2]" 1
164 1 15 GLU H 1 51 ILE HB . . 5.500 5.387 5.011 5.513 0.013 18 0 "[ . 1 . 2]" 1
165 1 15 GLU H 1 51 ILE MG . . 5.110 4.112 3.656 4.344 . 0 0 "[ . 1 . 2]" 1
166 1 15 GLU H 1 52 ASP H . . 4.580 3.215 3.023 3.570 . 0 0 "[ . 1 . 2]" 1
167 1 15 GLU H 1 52 ASP HB2 . . 4.320 3.999 3.608 4.296 . 0 0 "[ . 1 . 2]" 1
168 1 15 GLU HA 1 16 SER H . . 3.020 2.178 2.101 2.355 . 0 0 "[ . 1 . 2]" 1
169 1 15 GLU HA 1 17 HIS H . . 4.910 3.546 3.357 4.056 . 0 0 "[ . 1 . 2]" 1
170 1 15 GLU HA 1 49 VAL HB . . 5.500 5.436 5.149 5.573 0.073 3 0 "[ . 1 . 2]" 1
171 1 15 GLU HA 1 49 VAL MG2 . . 5.500 5.110 4.789 5.420 . 0 0 "[ . 1 . 2]" 1
172 1 15 GLU HB2 1 16 SER H . . 4.590 4.248 4.087 4.397 . 0 0 "[ . 1 . 2]" 1
173 1 15 GLU HB2 1 17 HIS H . . 5.500 4.548 4.265 5.037 . 0 0 "[ . 1 . 2]" 1
174 1 15 GLU HB2 1 18 VAL QG . . 4.350 3.700 3.541 4.356 0.006 9 0 "[ . 1 . 2]" 1
175 1 15 GLU HB2 1 49 VAL HA . . 5.500 5.419 4.873 5.537 0.037 13 0 "[ . 1 . 2]" 1
176 1 15 GLU HB2 1 51 ILE MG . . 5.460 5.394 4.412 5.550 0.090 15 0 "[ . 1 . 2]" 1
177 1 15 GLU HB3 1 16 SER H . . 4.710 4.122 3.849 4.269 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLU HB3 1 16 SER HA . . 5.500 4.905 4.660 5.083 . 0 0 "[ . 1 . 2]" 1
179 1 15 GLU HB3 1 17 HIS H . . 5.260 4.003 3.528 4.331 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLU HB3 1 18 VAL QG . . 4.320 2.412 2.249 3.044 . 0 0 "[ . 1 . 2]" 1
181 1 15 GLU HB3 1 49 VAL HA . . 5.500 5.510 5.343 5.569 0.069 1 0 "[ . 1 . 2]" 1
182 1 15 GLU HB3 1 49 VAL HB . . 3.590 3.235 3.056 3.388 . 0 0 "[ . 1 . 2]" 1
183 1 15 GLU HB3 1 49 VAL MG2 . . 5.500 2.660 2.301 2.931 . 0 0 "[ . 1 . 2]" 1
184 1 15 GLU HB3 1 50 CYS H . . 5.500 5.003 4.793 5.317 . 0 0 "[ . 1 . 2]" 1
185 1 15 GLU HB3 1 51 ILE MG . . 5.360 3.980 2.925 4.211 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLU QG 1 16 SER H . . 4.250 2.914 2.355 3.533 . 0 0 "[ . 1 . 2]" 1
187 1 15 GLU QG 1 17 HIS H . . 4.560 2.027 1.591 3.712 . 0 0 "[ . 1 . 2]" 1
188 1 15 GLU QG 1 18 VAL H . . 5.080 2.977 2.542 4.442 . 0 0 "[ . 1 . 2]" 1
189 1 15 GLU QG 1 18 VAL QG . . 3.920 2.287 1.899 3.126 . 0 0 "[ . 1 . 2]" 1
190 1 15 GLU HG2 1 16 SER H . . 5.120 3.643 2.495 4.635 . 0 0 "[ . 1 . 2]" 1
191 1 15 GLU HG2 1 18 VAL QG . . 4.510 2.642 2.146 4.204 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLU HG2 1 49 VAL MG2 . . 4.900 3.404 2.177 4.113 . 0 0 "[ . 1 . 2]" 1
193 1 15 GLU HG3 1 16 SER H . . 5.120 3.193 2.870 4.476 . 0 0 "[ . 1 . 2]" 1
194 1 15 GLU HG3 1 18 VAL QG . . 4.510 3.092 1.957 4.501 . 0 0 "[ . 1 . 2]" 1
195 1 15 GLU HG3 1 49 VAL MG2 . . 4.900 4.029 2.642 4.652 . 0 0 "[ . 1 . 2]" 1
196 1 16 SER H 1 16 SER HB2 . . 4.100 3.224 2.464 3.710 . 0 0 "[ . 1 . 2]" 1
197 1 16 SER H 1 16 SER QB . . 3.530 2.676 2.268 2.972 . 0 0 "[ . 1 . 2]" 1
198 1 16 SER H 1 16 SER HB3 . . 4.100 3.121 2.411 3.780 . 0 0 "[ . 1 . 2]" 1
199 1 16 SER H 1 17 HIS H . . 3.920 2.176 1.933 2.427 . 0 0 "[ . 1 . 2]" 1
200 1 16 SER H 1 17 HIS HD2 . . 4.670 3.522 2.241 4.708 0.038 6 0 "[ . 1 . 2]" 1
201 1 16 SER H 1 18 VAL H . . 5.500 4.285 3.957 4.490 . 0 0 "[ . 1 . 2]" 1
202 1 16 SER H 1 18 VAL QG . . 5.330 4.234 3.977 4.791 . 0 0 "[ . 1 . 2]" 1
203 1 16 SER H 1 52 ASP H . . 5.500 4.571 4.251 4.863 . 0 0 "[ . 1 . 2]" 1
204 1 16 SER HA 1 18 VAL H . . 4.260 3.449 3.359 3.578 . 0 0 "[ . 1 . 2]" 1
205 1 16 SER HA 1 51 ILE MG . . 5.500 3.275 2.846 3.564 . 0 0 "[ . 1 . 2]" 1
206 1 16 SER HA 1 52 ASP H . . 4.210 3.047 2.664 3.265 . 0 0 "[ . 1 . 2]" 1
207 1 16 SER HA 1 52 ASP HB2 . . 4.930 3.685 3.251 4.209 . 0 0 "[ . 1 . 2]" 1
208 1 16 SER HA 1 52 ASP HB3 . . 4.960 2.835 2.251 3.551 . 0 0 "[ . 1 . 2]" 1
209 1 16 SER HA 1 55 LEU MD1 . . 4.630 2.271 2.010 2.774 . 0 0 "[ . 1 . 2]" 1
210 1 16 SER HA 1 55 LEU MD2 . . 4.870 2.821 2.474 3.101 . 0 0 "[ . 1 . 2]" 1
211 1 16 SER HA 1 55 LEU HG . . 5.500 3.122 2.857 3.385 . 0 0 "[ . 1 . 2]" 1
212 1 16 SER QB 1 17 HIS HD2 . . 3.900 3.647 2.775 3.947 0.047 9 0 "[ . 1 . 2]" 1
213 1 16 SER QB 1 52 ASP H . . 5.340 4.234 3.681 4.917 . 0 0 "[ . 1 . 2]" 1
214 1 16 SER QB 1 55 LEU H . . 5.340 5.145 4.742 5.402 0.062 7 0 "[ . 1 . 2]" 1
215 1 16 SER QB 1 55 LEU MD2 . . 4.520 2.347 2.023 3.294 . 0 0 "[ . 1 . 2]" 1
216 1 16 SER HB2 1 17 HIS H . . 5.390 3.965 3.201 4.321 . 0 0 "[ . 1 . 2]" 1
217 1 16 SER HB2 1 17 HIS HD2 . . 4.580 3.963 3.518 4.503 . 0 0 "[ . 1 . 2]" 1
218 1 16 SER HB2 1 52 ASP HB2 . . 5.500 4.640 3.292 5.256 . 0 0 "[ . 1 . 2]" 1
219 1 16 SER HB2 1 52 ASP HB3 . . 5.500 3.897 2.832 4.757 . 0 0 "[ . 1 . 2]" 1
220 1 16 SER HB2 1 55 LEU MD1 . . 5.500 3.967 3.338 4.740 . 0 0 "[ . 1 . 2]" 1
221 1 16 SER HB2 1 55 LEU MD2 . . 5.170 2.829 2.049 3.906 . 0 0 "[ . 1 . 2]" 1
222 1 16 SER HB2 1 55 LEU HG . . 5.500 4.293 3.422 5.492 . 0 0 "[ . 1 . 2]" 1
223 1 16 SER HB3 1 17 HIS H . . 5.390 4.272 3.350 4.494 . 0 0 "[ . 1 . 2]" 1
224 1 16 SER HB3 1 17 HIS HD2 . . 4.580 4.453 2.801 4.647 0.067 1 0 "[ . 1 . 2]" 1
225 1 16 SER HB3 1 52 ASP HB2 . . 5.500 3.615 2.558 4.917 . 0 0 "[ . 1 . 2]" 1
226 1 16 SER HB3 1 52 ASP HB3 . . 5.500 3.030 2.083 4.504 . 0 0 "[ . 1 . 2]" 1
227 1 16 SER HB3 1 55 LEU MD1 . . 5.500 4.027 3.331 4.717 . 0 0 "[ . 1 . 2]" 1
228 1 16 SER HB3 1 55 LEU MD2 . . 5.170 3.149 2.124 4.065 . 0 0 "[ . 1 . 2]" 1
229 1 16 SER HB3 1 55 LEU HG . . 5.500 4.062 3.713 5.160 . 0 0 "[ . 1 . 2]" 1
230 1 17 HIS H 1 18 VAL H . . 4.650 2.602 2.106 2.941 . 0 0 "[ . 1 . 2]" 1
231 1 17 HIS H 1 18 VAL HB . . 5.500 4.897 4.538 5.267 . 0 0 "[ . 1 . 2]" 1
232 1 17 HIS H 1 18 VAL QG . . 4.600 3.212 2.901 3.463 . 0 0 "[ . 1 . 2]" 1
233 1 17 HIS HA 1 17 HIS HD2 . . 4.360 3.000 2.414 3.757 . 0 0 "[ . 1 . 2]" 1
234 1 17 HIS HA 1 18 VAL H . . 3.470 3.161 2.975 3.318 . 0 0 "[ . 1 . 2]" 1
235 1 17 HIS HB2 1 17 HIS HE1 . . 5.230 4.955 4.708 5.219 . 0 0 "[ . 1 . 2]" 1
236 1 17 HIS HB2 1 18 VAL H . . 4.750 3.793 3.358 4.104 . 0 0 "[ . 1 . 2]" 1
237 1 17 HIS HB3 1 17 HIS HD2 . . 3.830 3.716 3.371 3.916 0.086 19 0 "[ . 1 . 2]" 1
238 1 17 HIS HB3 1 18 VAL H . . 5.010 4.345 4.200 4.462 . 0 0 "[ . 1 . 2]" 1
239 1 18 VAL H 1 18 VAL HB . . 3.420 2.508 2.428 2.597 . 0 0 "[ . 1 . 2]" 1
240 1 18 VAL H 1 18 VAL QG . . 3.580 2.066 1.825 2.369 . 0 0 "[ . 1 . 2]" 1
241 1 18 VAL H 1 19 ALA H . . 5.020 4.501 4.374 4.545 . 0 0 "[ . 1 . 2]" 1
242 1 18 VAL H 1 40 ALA MB . . 5.310 5.390 5.331 5.422 0.112 3 0 "[ . 1 . 2]" 1
243 1 18 VAL H 1 51 ILE MG . . 5.160 3.523 2.963 3.916 . 0 0 "[ . 1 . 2]" 1
244 1 18 VAL H 1 52 ASP H . . 5.500 5.227 4.909 5.573 0.073 13 0 "[ . 1 . 2]" 1
245 1 18 VAL H 1 57 TRP HE1 . . 5.440 4.764 4.474 5.192 . 0 0 "[ . 1 . 2]" 1
246 1 18 VAL HA 1 19 ALA H . . 2.970 2.169 2.136 2.251 . 0 0 "[ . 1 . 2]" 1
247 1 18 VAL HA 1 22 ASN HB3 . . 5.500 4.789 4.091 5.126 . 0 0 "[ . 1 . 2]" 1
248 1 18 VAL HB 1 19 ALA H . . 4.630 4.093 3.900 4.309 . 0 0 "[ . 1 . 2]" 1
249 1 18 VAL HB 1 51 ILE MD . . 4.660 3.300 2.982 3.508 . 0 0 "[ . 1 . 2]" 1
250 1 18 VAL HB 1 51 ILE MG . . 5.050 2.283 1.978 2.727 . 0 0 "[ . 1 . 2]" 1
251 1 18 VAL HB 1 55 LEU MD1 . . 4.860 2.899 2.362 3.524 . 0 0 "[ . 1 . 2]" 1
252 1 18 VAL HB 1 57 TRP HE1 . . 5.500 4.106 3.792 4.911 . 0 0 "[ . 1 . 2]" 1
253 1 18 VAL HB 1 57 TRP HH2 . . 5.280 4.593 4.256 4.897 . 0 0 "[ . 1 . 2]" 1
254 1 18 VAL HB 1 57 TRP HZ2 . . 4.050 2.773 2.376 3.324 . 0 0 "[ . 1 . 2]" 1
255 1 18 VAL QG 1 51 ILE HA . . 4.970 2.994 2.576 4.076 . 0 0 "[ . 1 . 2]" 1
256 1 18 VAL QG 1 51 ILE HB . . 5.300 4.128 3.843 4.605 . 0 0 "[ . 1 . 2]" 1
257 1 19 ALA H 1 19 ALA MB . . 3.210 2.334 2.282 2.391 . 0 0 "[ . 1 . 2]" 1
258 1 19 ALA H 1 20 ARG H . . 5.060 4.434 4.369 4.504 . 0 0 "[ . 1 . 2]" 1
259 1 19 ALA H 1 22 ASN H . . 4.650 4.185 3.880 4.394 . 0 0 "[ . 1 . 2]" 1
260 1 19 ALA H 1 22 ASN HB2 . . 4.800 4.343 3.544 4.813 0.013 8 0 "[ . 1 . 2]" 1
261 1 19 ALA H 1 22 ASN HB3 . . 4.640 3.190 2.506 3.646 . 0 0 "[ . 1 . 2]" 1
262 1 19 ALA H 1 23 VAL H . . 5.340 5.002 4.579 5.315 . 0 0 "[ . 1 . 2]" 1
263 1 19 ALA H 1 23 VAL QG . . 3.610 3.542 3.342 3.666 0.056 19 0 "[ . 1 . 2]" 1
264 1 19 ALA HA 1 20 ARG H . . 3.050 2.208 2.155 2.311 . 0 0 "[ . 1 . 2]" 1
265 1 19 ALA HA 1 20 ARG HA . . 5.500 4.331 4.288 4.357 . 0 0 "[ . 1 . 2]" 1
266 1 19 ALA HA 1 20 ARG HB2 . . 5.500 4.574 4.464 4.666 . 0 0 "[ . 1 . 2]" 1
267 1 19 ALA HA 1 20 ARG HB3 . . 5.490 4.708 4.545 4.864 . 0 0 "[ . 1 . 2]" 1
268 1 19 ALA HA 1 21 ALA H . . 4.580 4.023 3.858 4.232 . 0 0 "[ . 1 . 2]" 1
269 1 19 ALA HA 1 22 ASN H . . 5.320 4.598 4.462 4.692 . 0 0 "[ . 1 . 2]" 1
270 1 19 ALA HA 1 55 LEU MD1 . . 5.500 4.618 4.067 5.044 . 0 0 "[ . 1 . 2]" 1
271 1 19 ALA HA 1 57 TRP HE1 . . 4.730 3.348 2.756 3.826 . 0 0 "[ . 1 . 2]" 1
272 1 19 ALA HA 1 57 TRP HZ2 . . 4.420 3.866 3.364 4.163 . 0 0 "[ . 1 . 2]" 1
273 1 19 ALA MB 1 20 ARG H . . 3.560 2.958 2.694 3.112 . 0 0 "[ . 1 . 2]" 1
274 1 19 ALA MB 1 21 ALA H . . 2.920 2.848 2.611 2.939 0.019 6 0 "[ . 1 . 2]" 1
275 1 19 ALA MB 1 22 ASN H . . 3.450 2.823 2.725 2.921 . 0 0 "[ . 1 . 2]" 1
276 1 19 ALA MB 1 22 ASN HA . . 5.500 4.681 4.457 4.944 . 0 0 "[ . 1 . 2]" 1
277 1 19 ALA MB 1 22 ASN HB2 . . 5.080 2.940 2.359 3.578 . 0 0 "[ . 1 . 2]" 1
278 1 19 ALA MB 1 22 ASN HB3 . . 4.870 2.838 2.380 3.422 . 0 0 "[ . 1 . 2]" 1
279 1 19 ALA MB 1 23 VAL H . . 4.330 4.373 4.330 4.403 0.073 8 0 "[ . 1 . 2]" 1
280 1 20 ARG H 1 20 ARG HB2 . . 3.510 2.558 2.470 2.618 . 0 0 "[ . 1 . 2]" 1
281 1 20 ARG H 1 20 ARG HB3 . . 3.560 2.519 2.412 2.595 . 0 0 "[ . 1 . 2]" 1
282 1 20 ARG H 1 20 ARG QD . . 5.500 4.519 4.292 4.768 . 0 0 "[ . 1 . 2]" 1
283 1 20 ARG H 1 20 ARG HG2 . . 5.500 4.491 4.411 4.580 . 0 0 "[ . 1 . 2]" 1
284 1 20 ARG H 1 20 ARG HG3 . . 5.500 4.485 4.443 4.521 . 0 0 "[ . 1 . 2]" 1
285 1 20 ARG H 1 21 ALA H . . 3.340 2.700 2.531 2.789 . 0 0 "[ . 1 . 2]" 1
286 1 20 ARG H 1 23 VAL QG . . 4.320 3.786 3.693 3.922 . 0 0 "[ . 1 . 2]" 1
287 1 20 ARG H 1 57 TRP HE1 . . 4.890 3.972 3.781 4.163 . 0 0 "[ . 1 . 2]" 1
288 1 20 ARG H 1 57 TRP HZ2 . . 5.500 3.939 3.801 4.193 . 0 0 "[ . 1 . 2]" 1
289 1 20 ARG HA 1 20 ARG HG3 . . 4.020 2.617 2.511 2.709 . 0 0 "[ . 1 . 2]" 1
290 1 20 ARG HA 1 23 VAL H . . 5.500 3.181 3.081 3.316 . 0 0 "[ . 1 . 2]" 1
291 1 20 ARG HA 1 23 VAL HB . . 5.270 2.548 2.378 2.689 . 0 0 "[ . 1 . 2]" 1
292 1 20 ARG HA 1 57 TRP HE1 . . 5.500 5.501 5.420 5.558 0.058 17 0 "[ . 1 . 2]" 1
293 1 20 ARG HA 1 57 TRP HH2 . . 4.210 3.106 2.969 3.304 . 0 0 "[ . 1 . 2]" 1
294 1 20 ARG HA 1 57 TRP HZ2 . . 3.960 3.819 3.680 3.969 0.009 2 0 "[ . 1 . 2]" 1
295 1 20 ARG HB2 1 21 ALA H . . 4.180 4.028 3.935 4.146 . 0 0 "[ . 1 . 2]" 1
296 1 20 ARG HB2 1 57 TRP HB2 . . 5.500 3.739 3.407 4.026 . 0 0 "[ . 1 . 2]" 1
297 1 20 ARG HB2 1 57 TRP HB3 . . 5.500 4.918 4.645 5.164 . 0 0 "[ . 1 . 2]" 1
298 1 20 ARG HB2 1 57 TRP HH2 . . 5.200 3.799 3.623 4.045 . 0 0 "[ . 1 . 2]" 1
299 1 20 ARG HB2 1 57 TRP HZ2 . . 5.120 4.200 3.961 4.549 . 0 0 "[ . 1 . 2]" 1
300 1 20 ARG HB2 1 57 TRP HZ3 . . 5.500 3.086 3.005 3.147 . 0 0 "[ . 1 . 2]" 1
301 1 20 ARG HB3 1 21 ALA H . . 3.680 2.870 2.773 3.003 . 0 0 "[ . 1 . 2]" 1
302 1 20 ARG HB3 1 21 ALA HA . . 5.500 4.394 4.269 4.589 . 0 0 "[ . 1 . 2]" 1
303 1 20 ARG HB3 1 57 TRP HB2 . . 5.500 4.354 3.965 4.807 . 0 0 "[ . 1 . 2]" 1
304 1 20 ARG HB3 1 57 TRP HE3 . . 4.950 4.190 3.968 4.415 . 0 0 "[ . 1 . 2]" 1
305 1 20 ARG HB3 1 57 TRP HH2 . . 5.500 5.338 5.187 5.511 0.011 16 0 "[ . 1 . 2]" 1
306 1 20 ARG HB3 1 57 TRP HZ3 . . 4.620 4.673 4.640 4.712 0.092 17 0 "[ . 1 . 2]" 1
307 1 20 ARG QD 1 21 ALA H . . 5.500 4.984 4.588 5.420 . 0 0 "[ . 1 . 2]" 1
308 1 20 ARG QD 1 57 TRP HB2 . . 5.500 3.412 2.936 3.774 . 0 0 "[ . 1 . 2]" 1
309 1 20 ARG QD 1 57 TRP HB3 . . 5.500 4.919 4.353 5.348 . 0 0 "[ . 1 . 2]" 1
310 1 20 ARG QD 1 57 TRP HE3 . . 4.490 2.311 1.999 2.591 . 0 0 "[ . 1 . 2]" 1
311 1 20 ARG QD 1 57 TRP HZ3 . . 4.050 3.118 2.729 3.474 . 0 0 "[ . 1 . 2]" 1
312 1 20 ARG QD 1 61 TYR QD . . 5.500 2.819 2.615 2.973 . 0 0 "[ . 1 . 2]" 1
313 1 20 ARG QD 1 61 TYR QE . . 3.880 3.595 3.105 3.928 0.048 11 0 "[ . 1 . 2]" 1
314 1 20 ARG HG2 1 21 ALA H . . 5.500 3.937 3.750 4.219 . 0 0 "[ . 1 . 2]" 1
315 1 20 ARG HG2 1 57 TRP HE3 . . 5.500 4.867 4.609 5.030 . 0 0 "[ . 1 . 2]" 1
316 1 20 ARG HG2 1 57 TRP HZ3 . . 5.500 4.494 4.303 4.673 . 0 0 "[ . 1 . 2]" 1
317 1 20 ARG HG2 1 61 TYR QD . . 4.720 4.765 4.693 4.812 0.092 13 0 "[ . 1 . 2]" 1
318 1 20 ARG HG2 1 61 TYR QE . . 4.480 4.403 4.285 4.522 0.042 2 0 "[ . 1 . 2]" 1
319 1 20 ARG HG3 1 21 ALA HA . . 5.500 5.231 5.018 5.498 . 0 0 "[ . 1 . 2]" 1
320 1 20 ARG HG3 1 23 VAL HB . . 3.450 3.468 3.247 3.524 0.074 9 0 "[ . 1 . 2]" 1
321 1 20 ARG HG3 1 57 TRP HE3 . . 4.050 3.711 3.453 3.854 . 0 0 "[ . 1 . 2]" 1
322 1 20 ARG HG3 1 57 TRP HZ3 . . 4.300 2.800 2.587 3.010 . 0 0 "[ . 1 . 2]" 1
323 1 20 ARG HG3 1 61 TYR QD . . 5.500 3.444 3.269 3.947 . 0 0 "[ . 1 . 2]" 1
324 1 21 ALA H 1 21 ALA MB . . 3.520 2.236 2.212 2.280 . 0 0 "[ . 1 . 2]" 1
325 1 21 ALA H 1 22 ASN H . . 3.560 2.611 2.494 2.773 . 0 0 "[ . 1 . 2]" 1
326 1 21 ALA H 1 23 VAL H . . 4.930 3.874 3.800 3.965 . 0 0 "[ . 1 . 2]" 1
327 1 21 ALA HA 1 23 VAL H . . 4.380 3.935 3.731 4.096 . 0 0 "[ . 1 . 2]" 1
328 1 21 ALA MB 1 22 ASN H . . 3.450 2.901 2.737 3.080 . 0 0 "[ . 1 . 2]" 1
329 1 21 ALA MB 1 22 ASN HA . . 5.060 3.996 3.924 4.080 . 0 0 "[ . 1 . 2]" 1
330 1 21 ALA MB 1 22 ASN HB2 . . 5.500 3.839 3.671 3.990 . 0 0 "[ . 1 . 2]" 1
331 1 21 ALA MB 1 23 VAL H . . 5.500 4.352 4.250 4.439 . 0 0 "[ . 1 . 2]" 1
332 1 22 ASN H 1 22 ASN HB2 . . 3.630 2.764 2.499 2.904 . 0 0 "[ . 1 . 2]" 1
333 1 22 ASN H 1 22 ASN HB3 . . 3.420 2.549 2.413 2.795 . 0 0 "[ . 1 . 2]" 1
334 1 22 ASN H 1 23 VAL H . . 3.170 2.138 2.034 2.227 . 0 0 "[ . 1 . 2]" 1
335 1 22 ASN H 1 23 VAL HA . . 4.970 4.712 4.641 4.818 . 0 0 "[ . 1 . 2]" 1
336 1 22 ASN H 1 23 VAL HB . . 4.850 4.413 4.255 4.533 . 0 0 "[ . 1 . 2]" 1
337 1 22 ASN H 1 23 VAL QG . . 5.040 3.277 3.195 3.432 . 0 0 "[ . 1 . 2]" 1
338 1 22 ASN H 1 43 LYS QD . . 5.330 4.729 4.510 4.893 . 0 0 "[ . 1 . 2]" 1
339 1 22 ASN HA 1 22 ASN HD22 . . 5.220 4.286 3.543 4.798 . 0 0 "[ . 1 . 2]" 1
340 1 22 ASN HA 1 43 LYS HB2 . . 5.230 3.317 2.819 3.762 . 0 0 "[ . 1 . 2]" 1
341 1 22 ASN HA 1 43 LYS HB3 . . 5.160 4.833 4.397 5.223 0.063 7 0 "[ . 1 . 2]" 1
342 1 22 ASN HA 1 43 LYS QD . . 4.680 2.570 2.252 2.902 . 0 0 "[ . 1 . 2]" 1
343 1 22 ASN HA 1 43 LYS HE2 . . 5.500 5.155 4.893 5.530 0.030 19 0 "[ . 1 . 2]" 1
344 1 22 ASN HA 1 43 LYS HE3 . . 5.500 3.981 3.744 4.423 . 0 0 "[ . 1 . 2]" 1
345 1 22 ASN HA 1 43 LYS HG2 . . 5.500 4.798 4.490 5.107 . 0 0 "[ . 1 . 2]" 1
346 1 22 ASN HA 1 43 LYS HG3 . . 5.500 3.271 2.911 3.551 . 0 0 "[ . 1 . 2]" 1
347 1 22 ASN HB2 1 23 VAL H . . 4.740 4.199 3.952 4.365 . 0 0 "[ . 1 . 2]" 1
348 1 22 ASN HB2 1 42 LEU MD1 . . 5.200 4.931 3.768 5.219 0.019 20 0 "[ . 1 . 2]" 1
349 1 22 ASN HB2 1 42 LEU MD2 . . 4.910 4.694 4.438 5.067 0.157 15 0 "[ . 1 . 2]" 1
350 1 22 ASN HB2 1 43 LYS QD . . 5.500 4.934 4.589 5.254 . 0 0 "[ . 1 . 2]" 1
351 1 22 ASN HB3 1 23 VAL H . . 4.290 3.360 3.062 3.624 . 0 0 "[ . 1 . 2]" 1
352 1 22 ASN HB3 1 42 LEU MD2 . . 5.140 3.440 3.167 3.707 . 0 0 "[ . 1 . 2]" 1
353 1 22 ASN HB3 1 43 LYS QD . . 5.500 5.327 5.069 5.528 0.028 10 0 "[ . 1 . 2]" 1
354 1 22 ASN HD21 1 42 LEU HB2 . . 5.500 5.172 4.349 5.522 0.022 17 0 "[ . 1 . 2]" 1
355 1 22 ASN HD21 1 42 LEU HB3 . . 5.500 3.635 2.833 3.894 . 0 0 "[ . 1 . 2]" 1
356 1 22 ASN HD21 1 42 LEU MD1 . . 5.080 3.074 2.498 4.480 . 0 0 "[ . 1 . 2]" 1
357 1 22 ASN HD21 1 42 LEU MD2 . . 5.120 3.190 1.877 4.567 . 0 0 "[ . 1 . 2]" 1
358 1 22 ASN HD22 1 42 LEU HB2 . . 4.680 4.110 3.587 4.706 0.026 18 0 "[ . 1 . 2]" 1
359 1 22 ASN HD22 1 42 LEU HB3 . . 5.330 2.483 1.999 3.092 . 0 0 "[ . 1 . 2]" 1
360 1 22 ASN HD22 1 42 LEU MD1 . . 4.590 2.158 1.750 3.145 . 0 0 "[ . 1 . 2]" 1
361 1 22 ASN HD22 1 42 LEU MD2 . . 4.880 3.258 2.772 4.220 . 0 0 "[ . 1 . 2]" 1
362 1 22 ASN HD22 1 44 ASN HB2 . . 5.500 4.141 3.138 5.522 0.022 20 0 "[ . 1 . 2]" 1
363 1 22 ASN HD22 1 44 ASN HB3 . . 5.500 4.072 2.170 5.533 0.033 18 0 "[ . 1 . 2]" 1
364 1 23 VAL H 1 23 VAL HB . . 3.270 2.540 2.482 2.579 . 0 0 "[ . 1 . 2]" 1
365 1 23 VAL H 1 24 LYS H . . 4.690 4.449 4.330 4.565 . 0 0 "[ . 1 . 2]" 1
366 1 23 VAL H 1 43 LYS HE3 . . 5.070 3.740 3.481 4.150 . 0 0 "[ . 1 . 2]" 1
367 1 23 VAL HA 1 24 LYS H . . 3.290 2.140 2.048 2.241 . 0 0 "[ . 1 . 2]" 1
368 1 23 VAL HA 1 24 LYS HA . . 5.400 4.396 4.343 4.445 . 0 0 "[ . 1 . 2]" 1
369 1 23 VAL HA 1 24 LYS HB2 . . 5.500 4.527 4.330 4.692 . 0 0 "[ . 1 . 2]" 1
370 1 23 VAL HA 1 24 LYS HB3 . . 5.500 4.619 4.495 4.732 . 0 0 "[ . 1 . 2]" 1
371 1 23 VAL HA 1 25 ARG H . . 4.420 4.022 3.741 4.412 . 0 0 "[ . 1 . 2]" 1
372 1 23 VAL HA 1 40 ALA MB . . 5.240 3.536 3.325 3.849 . 0 0 "[ . 1 . 2]" 1
373 1 23 VAL HA 1 42 LEU HA . . 4.390 2.948 2.549 3.380 . 0 0 "[ . 1 . 2]" 1
374 1 23 VAL HA 1 42 LEU MD2 . . 4.070 3.403 3.132 3.797 . 0 0 "[ . 1 . 2]" 1
375 1 23 VAL HA 1 43 LYS H . . 5.210 3.683 3.497 3.893 . 0 0 "[ . 1 . 2]" 1
376 1 23 VAL HA 1 43 LYS HG2 . . 5.500 4.952 4.705 5.181 . 0 0 "[ . 1 . 2]" 1
377 1 23 VAL HA 1 43 LYS HG3 . . 5.500 3.645 3.482 3.733 . 0 0 "[ . 1 . 2]" 1
378 1 23 VAL HB 1 24 LYS H . . 4.810 4.268 4.110 4.381 . 0 0 "[ . 1 . 2]" 1
379 1 23 VAL HB 1 57 TRP HH2 . . 4.420 3.823 3.526 4.016 . 0 0 "[ . 1 . 2]" 1
380 1 23 VAL QG 1 57 TRP HH2 . . 3.100 1.979 1.823 2.174 . 0 0 "[ . 1 . 2]" 1
381 1 23 VAL QG 1 57 TRP HZ2 . . 2.950 2.971 2.871 3.038 0.088 17 0 "[ . 1 . 2]" 1
382 1 23 VAL QG 1 57 TRP HZ3 . . 5.500 3.476 3.316 3.662 . 0 0 "[ . 1 . 2]" 1
383 1 24 LYS H 1 24 LYS HB2 . . 3.770 2.567 2.336 2.662 . 0 0 "[ . 1 . 2]" 1
384 1 24 LYS H 1 24 LYS HB3 . . 3.910 2.508 2.385 2.597 . 0 0 "[ . 1 . 2]" 1
385 1 24 LYS H 1 24 LYS HD2 . . 5.500 4.525 4.269 4.686 . 0 0 "[ . 1 . 2]" 1
386 1 24 LYS H 1 24 LYS HD3 . . 5.500 4.992 4.596 5.625 0.125 20 0 "[ . 1 . 2]" 1
387 1 24 LYS H 1 24 LYS QG . . 4.880 3.886 3.815 3.921 . 0 0 "[ . 1 . 2]" 1
388 1 24 LYS H 1 25 ARG H . . 3.400 2.458 2.169 2.617 . 0 0 "[ . 1 . 2]" 1
389 1 24 LYS H 1 25 ARG HB2 . . 5.500 5.465 5.215 5.549 0.049 12 0 "[ . 1 . 2]" 1
390 1 24 LYS H 1 25 ARG HB3 . . 5.500 5.217 4.778 5.483 . 0 0 "[ . 1 . 2]" 1
391 1 24 LYS H 1 41 ARG H . . 5.060 3.792 3.631 3.922 . 0 0 "[ . 1 . 2]" 1
392 1 24 LYS H 1 41 ARG HB2 . . 5.500 5.455 5.291 5.540 0.040 9 0 "[ . 1 . 2]" 1
393 1 24 LYS H 1 41 ARG HB3 . . 5.500 3.960 3.790 4.069 . 0 0 "[ . 1 . 2]" 1
394 1 24 LYS H 1 41 ARG HG2 . . 5.500 4.418 4.292 4.538 . 0 0 "[ . 1 . 2]" 1
395 1 24 LYS H 1 41 ARG HG3 . . 5.500 5.529 5.390 5.586 0.086 15 0 "[ . 1 . 2]" 1
396 1 24 LYS H 1 42 LEU H . . 5.080 4.732 4.641 4.817 . 0 0 "[ . 1 . 2]" 1
397 1 24 LYS H 1 42 LEU HA . . 4.070 3.313 3.144 3.761 . 0 0 "[ . 1 . 2]" 1
398 1 24 LYS H 1 42 LEU MD2 . . 5.040 4.372 4.175 4.685 . 0 0 "[ . 1 . 2]" 1
399 1 24 LYS H 1 43 LYS H . . 4.420 3.517 3.332 3.742 . 0 0 "[ . 1 . 2]" 1
400 1 24 LYS H 1 43 LYS HA . . 5.500 4.237 4.003 4.574 . 0 0 "[ . 1 . 2]" 1
401 1 24 LYS H 1 43 LYS HE2 . . 5.500 4.949 4.643 5.213 . 0 0 "[ . 1 . 2]" 1
402 1 24 LYS H 1 43 LYS HG2 . . 4.020 3.728 3.495 4.020 0.000 11 0 "[ . 1 . 2]" 1
403 1 24 LYS H 1 43 LYS HG3 . . 5.210 3.141 2.928 3.352 . 0 0 "[ . 1 . 2]" 1
404 1 24 LYS HA 1 24 LYS HD2 . . 4.630 4.209 3.888 4.378 . 0 0 "[ . 1 . 2]" 1
405 1 24 LYS HA 1 24 LYS QD . . 3.970 3.909 3.659 4.019 0.049 6 0 "[ . 1 . 2]" 1
406 1 24 LYS HA 1 24 LYS HD3 . . 4.630 4.643 4.462 4.729 0.099 15 0 "[ . 1 . 2]" 1
407 1 24 LYS HA 1 24 LYS HE2 . . 5.500 4.814 4.066 5.636 0.136 8 0 "[ . 1 . 2]" 1
408 1 24 LYS HA 1 24 LYS HE3 . . 5.500 4.798 4.106 5.640 0.140 4 0 "[ . 1 . 2]" 1
409 1 24 LYS HA 1 43 LYS HB2 . . 5.500 5.066 4.810 5.430 . 0 0 "[ . 1 . 2]" 1
410 1 24 LYS HA 1 43 LYS HE2 . . 5.370 2.630 2.257 2.966 . 0 0 "[ . 1 . 2]" 1
411 1 24 LYS HA 1 43 LYS HE3 . . 5.110 2.776 2.410 3.327 . 0 0 "[ . 1 . 2]" 1
412 1 24 LYS HA 1 43 LYS HG2 . . 5.500 2.312 1.988 2.890 . 0 0 "[ . 1 . 2]" 1
413 1 24 LYS HA 1 43 LYS HG3 . . 5.500 2.994 2.742 3.359 . 0 0 "[ . 1 . 2]" 1
414 1 24 LYS HB2 1 24 LYS QD . . 2.390 2.113 1.850 2.494 0.104 10 0 "[ . 1 . 2]" 1
415 1 24 LYS HB2 1 24 LYS HE2 . . 3.820 3.688 1.979 4.075 0.255 16 0 "[ . 1 . 2]" 1
416 1 24 LYS HB2 1 24 LYS QE . . 3.340 3.098 1.937 3.522 0.182 8 0 "[ . 1 . 2]" 1
417 1 24 LYS HB2 1 24 LYS HE3 . . 3.820 3.491 1.969 4.026 0.206 4 0 "[ . 1 . 2]" 1
418 1 24 LYS HB2 1 25 ARG H . . 3.460 3.533 3.472 3.572 0.112 16 0 "[ . 1 . 2]" 1
419 1 24 LYS HB2 1 41 ARG H . . 5.500 5.426 5.194 5.580 0.080 20 0 "[ . 1 . 2]" 1
420 1 24 LYS HB2 1 42 LEU HA . . 5.500 4.386 4.111 4.730 . 0 0 "[ . 1 . 2]" 1
421 1 24 LYS HB2 1 43 LYS H . . 5.500 3.658 3.297 4.017 . 0 0 "[ . 1 . 2]" 1
422 1 24 LYS HB2 1 43 LYS HA . . 3.960 2.425 2.005 2.857 . 0 0 "[ . 1 . 2]" 1
423 1 24 LYS HB3 1 24 LYS HD2 . . 3.190 2.720 2.029 3.087 . 0 0 "[ . 1 . 2]" 1
424 1 24 LYS HB3 1 24 LYS QD . . 2.740 2.265 2.013 2.372 . 0 0 "[ . 1 . 2]" 1
425 1 24 LYS HB3 1 24 LYS HD3 . . 3.190 2.674 2.402 3.382 0.192 14 0 "[ . 1 . 2]" 1
426 1 24 LYS HB3 1 24 LYS HE2 . . 4.550 3.960 3.112 4.462 . 0 0 "[ . 1 . 2]" 1
427 1 24 LYS HB3 1 24 LYS QE . . 3.860 3.560 2.963 3.934 0.074 4 0 "[ . 1 . 2]" 1
428 1 24 LYS HB3 1 24 LYS HE3 . . 4.550 4.176 3.058 4.476 . 0 0 "[ . 1 . 2]" 1
429 1 24 LYS HB3 1 25 ARG H . . 3.640 2.131 2.006 2.307 . 0 0 "[ . 1 . 2]" 1
430 1 24 LYS HB3 1 42 LEU HA . . 5.500 5.001 4.613 5.310 . 0 0 "[ . 1 . 2]" 1
431 1 24 LYS HB3 1 43 LYS HA . . 5.250 4.086 3.686 4.583 . 0 0 "[ . 1 . 2]" 1
432 1 24 LYS QD 1 25 ARG H . . 5.340 4.074 3.744 4.327 . 0 0 "[ . 1 . 2]" 1
433 1 24 LYS QD 1 43 LYS HA . . 3.860 2.858 2.122 3.894 0.034 14 0 "[ . 1 . 2]" 1
434 1 24 LYS QE 1 24 LYS QG . . 3.490 2.079 1.926 2.710 . 0 0 "[ . 1 . 2]" 1
435 1 24 LYS QE 1 43 LYS HA . . 4.840 3.488 1.892 4.512 . 0 0 "[ . 1 . 2]" 1
436 1 24 LYS QG 1 25 ARG H . . 4.100 3.385 3.057 3.651 . 0 0 "[ . 1 . 2]" 1
437 1 24 LYS QG 1 43 LYS HA . . 4.860 3.617 3.035 4.100 . 0 0 "[ . 1 . 2]" 1
438 1 25 ARG H 1 25 ARG QD . . 5.500 4.791 4.397 5.212 . 0 0 "[ . 1 . 2]" 1
439 1 25 ARG H 1 25 ARG QG . . 4.800 4.170 4.065 4.323 . 0 0 "[ . 1 . 2]" 1
440 1 25 ARG H 1 26 LEU H . . 4.890 4.270 4.193 4.349 . 0 0 "[ . 1 . 2]" 1
441 1 25 ARG H 1 40 ALA HA . . 5.500 4.635 4.321 4.875 . 0 0 "[ . 1 . 2]" 1
442 1 25 ARG H 1 40 ALA MB . . 5.500 5.208 4.846 5.418 . 0 0 "[ . 1 . 2]" 1
443 1 25 ARG H 1 41 ARG H . . 3.850 3.216 2.957 3.464 . 0 0 "[ . 1 . 2]" 1
444 1 25 ARG H 1 41 ARG HB2 . . 5.120 4.791 4.521 5.133 0.013 4 0 "[ . 1 . 2]" 1
445 1 25 ARG H 1 41 ARG HB3 . . 5.220 3.190 2.899 3.526 . 0 0 "[ . 1 . 2]" 1
446 1 25 ARG HA 1 25 ARG QD . . 4.890 3.259 1.968 4.274 . 0 0 "[ . 1 . 2]" 1
447 1 25 ARG QB 1 41 ARG H . . 5.340 4.454 3.519 4.896 . 0 0 "[ . 1 . 2]" 1
448 1 25 ARG QD 1 26 LEU H . . 5.500 3.557 2.039 4.719 . 0 0 "[ . 1 . 2]" 1
449 1 25 ARG QG 1 26 LEU H . . 4.910 2.574 2.177 3.136 . 0 0 "[ . 1 . 2]" 1
450 1 26 LEU H 1 26 LEU MD1 . . 5.420 4.307 4.178 4.426 . 0 0 "[ . 1 . 2]" 1
451 1 26 LEU H 1 26 LEU MD2 . . 5.500 2.068 1.839 2.327 . 0 0 "[ . 1 . 2]" 1
452 1 26 LEU H 1 26 LEU HG . . 5.500 3.427 3.177 3.694 . 0 0 "[ . 1 . 2]" 1
453 1 26 LEU H 1 27 LYS H . . 5.060 4.326 4.269 4.380 . 0 0 "[ . 1 . 2]" 1
454 1 26 LEU H 1 27 LYS QE . . 5.500 5.385 4.453 5.692 0.192 4 0 "[ . 1 . 2]" 1
455 1 26 LEU HA 1 26 LEU MD1 . . 4.370 4.010 3.977 4.043 . 0 0 "[ . 1 . 2]" 1
456 1 26 LEU HA 1 27 LYS H . . 3.370 2.333 2.271 2.402 . 0 0 "[ . 1 . 2]" 1
457 1 26 LEU HA 1 38 ILE MG . . 5.490 4.454 4.139 4.728 . 0 0 "[ . 1 . 2]" 1
458 1 26 LEU HA 1 39 VAL H . . 5.500 4.207 3.836 4.494 . 0 0 "[ . 1 . 2]" 1
459 1 26 LEU HA 1 39 VAL HB . . 5.500 4.898 4.683 5.143 . 0 0 "[ . 1 . 2]" 1
460 1 26 LEU HA 1 39 VAL QG . . 4.990 2.836 2.612 3.046 . 0 0 "[ . 1 . 2]" 1
461 1 26 LEU HA 1 40 ALA HA . . 3.910 3.270 2.836 3.672 . 0 0 "[ . 1 . 2]" 1
462 1 26 LEU HA 1 41 ARG H . . 5.500 3.804 3.504 4.100 . 0 0 "[ . 1 . 2]" 1
463 1 26 LEU HA 1 51 ILE MD . . 5.500 4.318 3.901 4.741 . 0 0 "[ . 1 . 2]" 1
464 1 26 LEU HB2 1 27 LYS H . . 4.510 2.404 2.317 2.500 . 0 0 "[ . 1 . 2]" 1
465 1 26 LEU HB2 1 39 VAL QG . . 4.670 3.714 3.621 3.825 . 0 0 "[ . 1 . 2]" 1
466 1 26 LEU HB2 1 40 ALA HA . . 5.500 3.308 2.909 3.730 . 0 0 "[ . 1 . 2]" 1
467 1 26 LEU HB2 1 57 TRP HH2 . . 4.990 4.845 4.538 5.010 0.020 13 0 "[ . 1 . 2]" 1
468 1 26 LEU HB2 1 58 ILE MD . . 5.500 4.065 3.810 4.327 . 0 0 "[ . 1 . 2]" 1
469 1 26 LEU HB3 1 27 LYS H . . 4.080 3.776 3.693 3.874 . 0 0 "[ . 1 . 2]" 1
470 1 26 LEU HB3 1 39 VAL H . . 5.500 4.998 4.778 5.207 . 0 0 "[ . 1 . 2]" 1
471 1 26 LEU HB3 1 39 VAL QG . . 4.540 4.539 4.389 4.604 0.064 13 0 "[ . 1 . 2]" 1
472 1 26 LEU HB3 1 40 ALA HA . . 5.500 2.802 2.414 3.188 . 0 0 "[ . 1 . 2]" 1
473 1 26 LEU HB3 1 57 TRP HH2 . . 4.280 4.191 3.832 4.340 0.060 19 0 "[ . 1 . 2]" 1
474 1 26 LEU HB3 1 58 ILE MD . . 5.500 4.460 4.124 4.699 . 0 0 "[ . 1 . 2]" 1
475 1 26 LEU MD1 1 27 LYS H . . 4.390 3.818 3.525 3.993 . 0 0 "[ . 1 . 2]" 1
476 1 26 LEU MD1 1 39 VAL H . . 4.140 4.247 4.210 4.277 0.137 20 0 "[ . 1 . 2]" 1
477 1 26 LEU MD1 1 40 ALA HA . . 4.760 4.105 3.507 4.762 0.002 16 0 "[ . 1 . 2]" 1
478 1 26 LEU MD1 1 57 TRP HH2 . . 4.950 2.301 2.022 2.977 . 0 0 "[ . 1 . 2]" 1
479 1 26 LEU MD1 1 57 TRP HZ2 . . 5.500 4.185 3.868 4.740 . 0 0 "[ . 1 . 2]" 1
480 1 26 LEU MD1 1 57 TRP HZ3 . . 4.740 2.460 2.056 3.067 . 0 0 "[ . 1 . 2]" 1
481 1 26 LEU MD1 1 58 ILE HA . . 5.500 3.432 3.182 3.630 . 0 0 "[ . 1 . 2]" 1
482 1 26 LEU MD1 1 58 ILE MD . . 4.380 2.004 1.941 2.080 . 0 0 "[ . 1 . 2]" 1
483 1 26 LEU MD1 1 61 TYR QD . . 3.760 3.162 2.891 3.516 . 0 0 "[ . 1 . 2]" 1
484 1 26 LEU MD1 1 61 TYR QE . . 3.700 3.731 3.440 3.792 0.092 20 0 "[ . 1 . 2]" 1
485 1 26 LEU MD2 1 27 LYS H . . 5.440 4.471 4.351 4.565 . 0 0 "[ . 1 . 2]" 1
486 1 26 LEU MD2 1 40 ALA HA . . 5.500 4.636 4.373 4.875 . 0 0 "[ . 1 . 2]" 1
487 1 26 LEU MD2 1 57 TRP HH2 . . 5.180 3.493 3.395 3.560 . 0 0 "[ . 1 . 2]" 1
488 1 26 LEU MD2 1 57 TRP HZ2 . . 5.500 5.559 5.528 5.601 0.101 11 0 "[ . 1 . 2]" 1
489 1 26 LEU MD2 1 58 ILE HA . . 5.500 4.902 4.770 5.105 . 0 0 "[ . 1 . 2]" 1
490 1 26 LEU MD2 1 58 ILE MD . . 4.300 3.712 3.497 3.778 . 0 0 "[ . 1 . 2]" 1
491 1 26 LEU MD2 1 61 TYR HB3 . . 5.500 4.546 4.306 4.817 . 0 0 "[ . 1 . 2]" 1
492 1 26 LEU MD2 1 61 TYR QD . . 3.430 2.786 2.433 3.142 . 0 0 "[ . 1 . 2]" 1
493 1 26 LEU MD2 1 61 TYR QE . . 3.690 2.041 1.845 2.224 . 0 0 "[ . 1 . 2]" 1
494 1 26 LEU MD2 1 62 LEU H . . 4.850 4.965 4.911 5.016 0.166 3 0 "[ . 1 . 2]" 1
495 1 26 LEU MD2 1 62 LEU HB2 . . 5.500 4.661 3.883 5.237 . 0 0 "[ . 1 . 2]" 1
496 1 26 LEU MD2 1 62 LEU HG . . 4.930 3.853 3.419 4.448 . 0 0 "[ . 1 . 2]" 1
497 1 26 LEU HG 1 27 LYS H . . 5.500 3.504 3.334 3.657 . 0 0 "[ . 1 . 2]" 1
498 1 26 LEU HG 1 27 LYS HA . . 5.500 3.615 3.409 3.895 . 0 0 "[ . 1 . 2]" 1
499 1 26 LEU HG 1 38 ILE MG . . 4.060 3.696 3.428 4.066 0.006 2 0 "[ . 1 . 2]" 1
500 1 26 LEU HG 1 62 LEU MD2 . . 4.540 2.317 2.005 2.859 . 0 0 "[ . 1 . 2]" 1
501 1 27 LYS H 1 27 LYS HG2 . . 5.500 4.671 4.277 5.075 . 0 0 "[ . 1 . 2]" 1
502 1 27 LYS H 1 27 LYS HG3 . . 5.500 4.151 3.157 4.752 . 0 0 "[ . 1 . 2]" 1
503 1 27 LYS H 1 28 ILE H . . 5.090 4.204 4.099 4.330 . 0 0 "[ . 1 . 2]" 1
504 1 27 LYS H 1 38 ILE HA . . 5.390 4.210 3.846 4.481 . 0 0 "[ . 1 . 2]" 1
505 1 27 LYS H 1 38 ILE MG . . 4.980 3.206 2.965 3.499 . 0 0 "[ . 1 . 2]" 1
506 1 27 LYS H 1 39 VAL H . . 4.290 2.578 2.281 2.936 . 0 0 "[ . 1 . 2]" 1
507 1 27 LYS H 1 39 VAL HB . . 5.270 4.791 4.639 4.995 . 0 0 "[ . 1 . 2]" 1
508 1 27 LYS H 1 39 VAL QG . . 4.380 2.380 2.254 2.530 . 0 0 "[ . 1 . 2]" 1
509 1 27 LYS H 1 40 ALA HA . . 5.500 4.653 4.324 5.015 . 0 0 "[ . 1 . 2]" 1
510 1 27 LYS HA 1 27 LYS QD . . 4.410 3.321 1.837 4.155 . 0 0 "[ . 1 . 2]" 1
511 1 27 LYS HA 1 27 LYS QE . . 5.500 3.727 1.797 4.917 . 0 0 "[ . 1 . 2]" 1
512 1 27 LYS HA 1 28 ILE H . . 3.390 2.167 2.077 2.271 . 0 0 "[ . 1 . 2]" 1
513 1 27 LYS HA 1 38 ILE MG . . 5.390 4.282 4.075 4.503 . 0 0 "[ . 1 . 2]" 1
514 1 27 LYS HA 1 62 LEU MD1 . . 4.600 3.116 2.332 4.350 . 0 0 "[ . 1 . 2]" 1
515 1 27 LYS HB2 1 27 LYS QD . . 2.400 2.402 2.246 2.560 0.160 5 0 "[ . 1 . 2]" 1
516 1 27 LYS HB2 1 27 LYS QE . . 3.870 2.883 1.871 3.914 0.044 15 0 "[ . 1 . 2]" 1
517 1 27 LYS HB2 1 28 ILE H . . 4.280 4.024 3.683 4.288 0.008 3 0 "[ . 1 . 2]" 1
518 1 27 LYS HB2 1 39 VAL H . . 5.260 4.783 3.883 5.297 0.037 5 0 "[ . 1 . 2]" 1
519 1 27 LYS HB2 1 39 VAL QG . . 4.110 3.036 2.145 3.547 . 0 0 "[ . 1 . 2]" 1
520 1 27 LYS HB3 1 27 LYS QD . . 3.360 2.875 2.287 3.423 0.063 17 0 "[ . 1 . 2]" 1
521 1 27 LYS HB3 1 27 LYS QE . . 4.640 3.714 3.086 4.483 . 0 0 "[ . 1 . 2]" 1
522 1 27 LYS HB3 1 28 ILE H . . 3.930 3.447 2.606 4.031 0.101 18 0 "[ . 1 . 2]" 1
523 1 27 LYS HB3 1 39 VAL H . . 5.500 4.479 3.646 5.472 . 0 0 "[ . 1 . 2]" 1
524 1 27 LYS HG2 1 28 ILE H . . 4.600 3.967 2.824 4.697 0.097 14 0 "[ . 1 . 2]" 1
525 1 27 LYS HG3 1 28 ILE H . . 4.520 3.497 2.519 4.678 0.158 6 0 "[ . 1 . 2]" 1
526 1 28 ILE H 1 28 ILE HB . . 3.700 2.556 2.379 2.689 . 0 0 "[ . 1 . 2]" 1
527 1 28 ILE H 1 28 ILE MD . . 5.050 4.136 3.979 4.262 . 0 0 "[ . 1 . 2]" 1
528 1 28 ILE H 1 28 ILE HG12 . . 4.180 3.851 3.679 3.975 . 0 0 "[ . 1 . 2]" 1
529 1 28 ILE H 1 28 ILE HG13 . . 4.750 2.866 2.633 3.025 . 0 0 "[ . 1 . 2]" 1
530 1 28 ILE H 1 28 ILE MG . . 4.670 3.816 3.691 3.899 . 0 0 "[ . 1 . 2]" 1
531 1 28 ILE H 1 29 LEU H . . 5.260 4.269 4.100 4.443 . 0 0 "[ . 1 . 2]" 1
532 1 28 ILE H 1 62 LEU MD1 . . 4.000 3.126 2.460 3.728 . 0 0 "[ . 1 . 2]" 1
533 1 28 ILE HA 1 28 ILE MD . . 4.740 3.810 3.770 3.839 . 0 0 "[ . 1 . 2]" 1
534 1 28 ILE HA 1 29 LEU H . . 3.510 2.117 2.046 2.183 . 0 0 "[ . 1 . 2]" 1
535 1 28 ILE HA 1 36 LEU QD . . 5.440 4.474 3.581 5.346 . 0 0 "[ . 1 . 2]" 1
536 1 28 ILE HA 1 37 GLN H . . 4.830 4.516 4.105 4.910 0.080 12 0 "[ . 1 . 2]" 1
537 1 28 ILE HA 1 38 ILE HA . . 4.930 2.334 2.174 2.605 . 0 0 "[ . 1 . 2]" 1
538 1 28 ILE HA 1 38 ILE HG12 . . 4.540 2.628 2.421 2.786 . 0 0 "[ . 1 . 2]" 1
539 1 28 ILE HA 1 38 ILE MG . . 5.380 2.753 2.477 2.963 . 0 0 "[ . 1 . 2]" 1
540 1 28 ILE HA 1 39 VAL H . . 5.500 3.958 3.696 4.330 . 0 0 "[ . 1 . 2]" 1
541 1 28 ILE HB 1 29 LEU H . . 5.140 4.293 4.172 4.388 . 0 0 "[ . 1 . 2]" 1
542 1 28 ILE HB 1 30 ASN HD22 . . 5.400 4.731 3.415 5.359 . 0 0 "[ . 1 . 2]" 1
543 1 28 ILE HB 1 63 GLU QG . . 5.340 4.386 4.054 5.177 . 0 0 "[ . 1 . 2]" 1
544 1 28 ILE MD 1 28 ILE MG . . 2.400 1.847 1.799 1.896 . 0 0 "[ . 1 . 2]" 1
545 1 28 ILE MD 1 38 ILE MD . . 3.050 2.564 2.377 2.760 . 0 0 "[ . 1 . 2]" 1
546 1 28 ILE MD 1 38 ILE HG12 . . 4.090 3.126 2.871 3.371 . 0 0 "[ . 1 . 2]" 1
547 1 28 ILE MD 1 53 PRO HB2 . . 5.060 5.046 4.641 5.117 0.057 6 0 "[ . 1 . 2]" 1
548 1 28 ILE MD 1 59 GLN HA . . 4.250 3.324 3.187 3.466 . 0 0 "[ . 1 . 2]" 1
549 1 28 ILE MD 1 63 GLU HA . . 5.500 4.032 3.698 4.373 . 0 0 "[ . 1 . 2]" 1
550 1 28 ILE MD 1 63 GLU QG . . 5.340 2.203 1.913 3.259 . 0 0 "[ . 1 . 2]" 1
551 1 28 ILE HG12 1 28 ILE MG . . 3.690 2.507 2.469 2.551 . 0 0 "[ . 1 . 2]" 1
552 1 28 ILE HG12 1 29 LEU H . . 5.500 4.407 4.164 4.576 . 0 0 "[ . 1 . 2]" 1
553 1 28 ILE HG12 1 38 ILE MD . . 4.300 2.473 2.279 2.655 . 0 0 "[ . 1 . 2]" 1
554 1 28 ILE HG12 1 38 ILE HG12 . . 3.680 1.941 1.894 2.008 . 0 0 "[ . 1 . 2]" 1
555 1 28 ILE HG13 1 28 ILE MG . . 3.570 3.183 3.166 3.202 . 0 0 "[ . 1 . 2]" 1
556 1 28 ILE HG13 1 29 LEU H . . 5.500 5.149 5.053 5.216 . 0 0 "[ . 1 . 2]" 1
557 1 28 ILE MG 1 29 LEU H . . 3.840 2.921 2.650 3.103 . 0 0 "[ . 1 . 2]" 1
558 1 28 ILE MG 1 29 LEU HA . . 5.030 3.743 3.386 3.970 . 0 0 "[ . 1 . 2]" 1
559 1 28 ILE MG 1 30 ASN H . . 4.070 3.607 3.191 4.073 0.003 17 0 "[ . 1 . 2]" 1
560 1 28 ILE MG 1 30 ASN HA . . 5.500 3.762 2.946 4.183 . 0 0 "[ . 1 . 2]" 1
561 1 28 ILE MG 1 36 LEU HA . . 5.230 3.462 2.978 4.188 . 0 0 "[ . 1 . 2]" 1
562 1 28 ILE MG 1 37 GLN H . . 4.120 3.574 3.126 4.063 . 0 0 "[ . 1 . 2]" 1
563 1 28 ILE MG 1 38 ILE HG13 . . 4.150 3.493 3.078 3.971 . 0 0 "[ . 1 . 2]" 1
564 1 28 ILE MG 1 59 GLN HA . . 5.500 5.519 5.418 5.569 0.069 14 0 "[ . 1 . 2]" 1
565 1 28 ILE MG 1 62 LEU HB3 . . 4.400 4.264 4.037 4.482 0.082 10 0 "[ . 1 . 2]" 1
566 1 28 ILE MG 1 63 GLU HA . . 5.500 5.491 4.961 5.576 0.076 18 0 "[ . 1 . 2]" 1
567 1 28 ILE MG 1 63 GLU QG . . 5.060 3.479 3.175 4.077 . 0 0 "[ . 1 . 2]" 1
568 1 28 ILE MG 1 67 ASN HD21 . . 5.500 5.023 4.511 5.497 . 0 0 "[ . 1 . 2]" 1
569 1 29 LEU H 1 29 LEU QB . . 3.710 2.379 2.252 2.493 . 0 0 "[ . 1 . 2]" 1
570 1 29 LEU H 1 29 LEU QD . . 5.210 3.655 3.169 3.888 . 0 0 "[ . 1 . 2]" 1
571 1 29 LEU H 1 29 LEU HG . . 5.370 3.988 2.504 4.876 . 0 0 "[ . 1 . 2]" 1
572 1 29 LEU H 1 30 ASN H . . 4.750 4.196 4.027 4.439 . 0 0 "[ . 1 . 2]" 1
573 1 29 LEU H 1 37 GLN H . . 5.000 3.098 2.697 3.501 . 0 0 "[ . 1 . 2]" 1
574 1 29 LEU H 1 37 GLN HB2 . . 5.200 3.847 3.295 5.064 . 0 0 "[ . 1 . 2]" 1
575 1 29 LEU H 1 37 GLN HB3 . . 5.500 4.758 4.508 5.576 0.076 3 0 "[ . 1 . 2]" 1
576 1 29 LEU HA 1 29 LEU QD . . 3.800 2.292 2.035 2.923 . 0 0 "[ . 1 . 2]" 1
577 1 29 LEU HA 1 30 ASN H . . 3.160 2.122 2.036 2.208 . 0 0 "[ . 1 . 2]" 1
578 1 29 LEU QB 1 29 LEU HG . . 2.400 2.351 2.161 2.404 0.004 19 0 "[ . 1 . 2]" 1
579 1 29 LEU QB 1 30 ASN H . . 3.980 3.722 3.153 3.911 . 0 0 "[ . 1 . 2]" 1
580 1 29 LEU QB 1 31 THR H . . 4.780 4.465 3.690 4.835 0.055 12 0 "[ . 1 . 2]" 1
581 1 29 LEU QB 1 37 GLN H . . 4.320 3.242 2.813 3.613 . 0 0 "[ . 1 . 2]" 1
582 1 29 LEU QB 1 37 GLN HE21 . . 5.380 3.248 2.613 4.979 . 0 0 "[ . 1 . 2]" 1
583 1 29 LEU QB 1 37 GLN QE . . 4.670 3.128 2.578 4.449 . 0 0 "[ . 1 . 2]" 1
584 1 29 LEU QB 1 37 GLN HE22 . . 5.380 4.315 3.698 5.009 . 0 0 "[ . 1 . 2]" 1
585 1 29 LEU QB 1 37 GLN QG . . 5.340 4.075 1.794 5.353 0.013 19 0 "[ . 1 . 2]" 1
586 1 29 LEU QD 1 30 ASN H . . 5.210 3.014 2.430 3.837 . 0 0 "[ . 1 . 2]" 1
587 1 29 LEU QD 1 31 THR H . . 4.910 4.182 3.140 4.984 0.074 11 0 "[ . 1 . 2]" 1
588 1 29 LEU QD 1 31 THR HA . . 5.350 4.103 2.965 5.387 0.037 9 0 "[ . 1 . 2]" 1
589 1 29 LEU QD 1 37 GLN QE . . 5.340 3.280 2.199 4.094 . 0 0 "[ . 1 . 2]" 1
590 1 30 ASN H 1 30 ASN HB2 . . 3.930 2.479 2.251 2.573 . 0 0 "[ . 1 . 2]" 1
591 1 30 ASN H 1 30 ASN HB3 . . 4.150 3.636 3.514 3.690 . 0 0 "[ . 1 . 2]" 1
592 1 30 ASN H 1 30 ASN HD21 . . 5.500 4.083 2.301 4.843 . 0 0 "[ . 1 . 2]" 1
593 1 30 ASN H 1 31 THR H . . 4.520 4.131 3.836 4.328 . 0 0 "[ . 1 . 2]" 1
594 1 30 ASN H 1 31 THR MG . . 5.500 4.415 3.958 4.800 . 0 0 "[ . 1 . 2]" 1
595 1 30 ASN HA 1 31 THR H . . 3.250 2.206 2.099 2.379 . 0 0 "[ . 1 . 2]" 1
596 1 30 ASN HA 1 31 THR MG . . 5.500 4.089 3.867 4.593 . 0 0 "[ . 1 . 2]" 1
597 1 30 ASN HA 1 35 ALA H . . 5.500 5.136 4.084 5.613 0.113 18 0 "[ . 1 . 2]" 1
598 1 30 ASN HA 1 36 LEU HA . . 4.650 2.651 2.046 3.197 . 0 0 "[ . 1 . 2]" 1
599 1 30 ASN HA 1 36 LEU MD1 . . 5.500 4.932 3.669 5.571 0.071 17 0 "[ . 1 . 2]" 1
600 1 30 ASN HA 1 36 LEU QD . . 4.650 2.995 2.094 4.069 . 0 0 "[ . 1 . 2]" 1
601 1 30 ASN HA 1 36 LEU MD2 . . 5.500 3.170 2.097 5.255 . 0 0 "[ . 1 . 2]" 1
602 1 30 ASN HA 1 36 LEU HG . . 5.500 4.524 3.014 5.255 . 0 0 "[ . 1 . 2]" 1
603 1 30 ASN HA 1 37 GLN H . . 5.500 3.697 3.142 4.046 . 0 0 "[ . 1 . 2]" 1
604 1 30 ASN HB2 1 31 THR H . . 4.940 4.452 4.341 4.564 . 0 0 "[ . 1 . 2]" 1
605 1 30 ASN HB2 1 36 LEU QD . . 4.800 4.503 3.840 4.904 0.104 7 0 "[ . 1 . 2]" 1
606 1 30 ASN HB3 1 31 THR H . . 5.120 3.889 3.719 4.193 . 0 0 "[ . 1 . 2]" 1
607 1 30 ASN HB3 1 36 LEU QD . . 4.720 3.772 2.837 4.481 . 0 0 "[ . 1 . 2]" 1
608 1 30 ASN HD21 1 36 LEU MD1 . . 4.620 4.250 2.491 4.777 0.157 8 0 "[ . 1 . 2]" 1
609 1 30 ASN HD21 1 36 LEU MD2 . . 4.620 2.591 1.877 4.243 . 0 0 "[ . 1 . 2]" 1
610 1 30 ASN HD22 1 36 LEU QB . . 5.340 4.519 2.373 5.342 0.002 15 0 "[ . 1 . 2]" 1
611 1 30 ASN HD22 1 36 LEU MD1 . . 4.890 3.813 2.317 4.639 . 0 0 "[ . 1 . 2]" 1
612 1 30 ASN HD22 1 36 LEU MD2 . . 4.890 2.502 1.890 3.420 . 0 0 "[ . 1 . 2]" 1
613 1 30 ASN HD22 1 63 GLU QG . . 4.730 4.583 3.787 4.790 0.060 12 0 "[ . 1 . 2]" 1
614 1 31 THR H 1 31 THR HB . . 4.210 3.574 3.432 3.684 . 0 0 "[ . 1 . 2]" 1
615 1 31 THR H 1 31 THR MG . . 4.130 2.610 2.330 3.050 . 0 0 "[ . 1 . 2]" 1
616 1 31 THR H 1 32 PRO HD2 . . 5.500 4.983 4.713 5.386 . 0 0 "[ . 1 . 2]" 1
617 1 31 THR H 1 32 PRO HD3 . . 5.500 4.767 4.407 4.995 . 0 0 "[ . 1 . 2]" 1
618 1 31 THR H 1 34 CYS H . . 5.190 4.431 4.097 4.829 . 0 0 "[ . 1 . 2]" 1
619 1 31 THR H 1 34 CYS HB2 . . 5.500 4.976 3.550 5.674 0.174 4 0 "[ . 1 . 2]" 1
620 1 31 THR H 1 34 CYS HB3 . . 5.010 4.476 3.735 5.137 0.127 20 0 "[ . 1 . 2]" 1
621 1 31 THR H 1 35 ALA HA . . 5.200 4.228 3.592 4.863 . 0 0 "[ . 1 . 2]" 1
622 1 31 THR H 1 36 LEU HA . . 4.920 3.374 2.563 3.999 . 0 0 "[ . 1 . 2]" 1
623 1 31 THR H 1 37 GLN HE21 . . 5.500 3.576 2.487 4.287 . 0 0 "[ . 1 . 2]" 1
624 1 31 THR H 1 37 GLN HE22 . . 5.500 3.095 2.274 5.266 . 0 0 "[ . 1 . 2]" 1
625 1 31 THR HA 1 32 PRO HB3 . . 5.500 5.132 4.812 5.511 0.011 7 0 "[ . 1 . 2]" 1
626 1 31 THR HA 1 32 PRO HD2 . . 3.980 2.384 2.016 2.943 . 0 0 "[ . 1 . 2]" 1
627 1 31 THR HA 1 32 PRO QD . . 3.360 1.975 1.822 2.119 . 0 0 "[ . 1 . 2]" 1
628 1 31 THR HA 1 32 PRO HD3 . . 3.980 2.238 1.854 2.531 . 0 0 "[ . 1 . 2]" 1
629 1 31 THR HA 1 32 PRO HG2 . . 5.500 4.394 4.192 4.610 . 0 0 "[ . 1 . 2]" 1
630 1 31 THR HA 1 32 PRO HG3 . . 5.500 4.315 3.978 4.499 . 0 0 "[ . 1 . 2]" 1
631 1 31 THR HA 1 33 ASN H . . 5.500 3.935 3.506 4.644 . 0 0 "[ . 1 . 2]" 1
632 1 31 THR HA 1 37 GLN HE21 . . 5.500 5.289 4.843 5.621 0.121 17 0 "[ . 1 . 2]" 1
633 1 31 THR HA 1 37 GLN HE22 . . 5.500 4.717 4.036 5.540 0.040 7 0 "[ . 1 . 2]" 1
634 1 31 THR HB 1 32 PRO HD2 . . 4.330 2.860 2.247 3.070 . 0 0 "[ . 1 . 2]" 1
635 1 31 THR HB 1 32 PRO QD . . 3.500 2.787 2.223 3.009 . 0 0 "[ . 1 . 2]" 1
636 1 31 THR HB 1 32 PRO HD3 . . 4.330 3.939 3.357 4.358 0.028 17 0 "[ . 1 . 2]" 1
637 1 31 THR HB 1 32 PRO HG2 . . 5.180 4.676 4.104 5.252 0.072 14 0 "[ . 1 . 2]" 1
638 1 31 THR HB 1 32 PRO HG3 . . 5.500 5.403 4.928 5.562 0.062 9 0 "[ . 1 . 2]" 1
639 1 31 THR HB 1 33 ASN H . . 5.500 2.840 2.402 3.543 . 0 0 "[ . 1 . 2]" 1
640 1 31 THR HB 1 34 CYS H . . 5.500 2.676 2.202 3.473 . 0 0 "[ . 1 . 2]" 1
641 1 31 THR HB 1 34 CYS HB2 . . 5.320 3.685 2.616 4.351 . 0 0 "[ . 1 . 2]" 1
642 1 31 THR HB 1 34 CYS HB3 . . 4.830 4.137 3.349 4.906 0.076 20 0 "[ . 1 . 2]" 1
643 1 31 THR HB 1 37 GLN HE21 . . 5.500 4.694 3.154 5.378 . 0 0 "[ . 1 . 2]" 1
644 1 31 THR HB 1 37 GLN HE22 . . 5.500 3.799 3.477 4.405 . 0 0 "[ . 1 . 2]" 1
645 1 31 THR MG 1 32 PRO HD2 . . 4.320 3.398 2.844 3.820 . 0 0 "[ . 1 . 2]" 1
646 1 31 THR MG 1 32 PRO QD . . 3.700 3.176 2.774 3.385 . 0 0 "[ . 1 . 2]" 1
647 1 31 THR MG 1 32 PRO HD3 . . 4.320 3.933 3.385 4.340 0.020 5 0 "[ . 1 . 2]" 1
648 1 31 THR MG 1 33 ASN H . . 5.500 4.343 4.020 4.771 . 0 0 "[ . 1 . 2]" 1
649 1 31 THR MG 1 34 CYS H . . 5.500 4.039 3.625 4.527 . 0 0 "[ . 1 . 2]" 1
650 1 31 THR MG 1 34 CYS HB2 . . 5.500 3.873 2.944 4.466 . 0 0 "[ . 1 . 2]" 1
651 1 31 THR MG 1 34 CYS HB3 . . 5.500 4.060 3.459 4.989 . 0 0 "[ . 1 . 2]" 1
652 1 31 THR MG 1 37 GLN QE . . 5.340 2.150 1.899 2.486 . 0 0 "[ . 1 . 2]" 1
653 1 32 PRO HA 1 33 ASN H . . 3.450 3.397 2.807 3.534 0.084 6 0 "[ . 1 . 2]" 1
654 1 32 PRO HA 1 34 CYS H . . 5.470 4.409 4.161 4.790 . 0 0 "[ . 1 . 2]" 1
655 1 32 PRO QD 1 33 ASN H . . 4.780 2.668 2.013 3.762 . 0 0 "[ . 1 . 2]" 1
656 1 32 PRO QD 1 34 CYS H . . 5.350 4.229 3.642 4.706 . 0 0 "[ . 1 . 2]" 1
657 1 32 PRO HD2 1 33 ASN H . . 5.500 2.728 2.024 4.008 . 0 0 "[ . 1 . 2]" 1
658 1 32 PRO HD3 1 33 ASN H . . 5.500 3.873 3.549 4.557 . 0 0 "[ . 1 . 2]" 1
659 1 32 PRO HG3 1 33 ASN H . . 5.380 4.240 3.607 5.318 . 0 0 "[ . 1 . 2]" 1
660 1 33 ASN H 1 33 ASN HD21 . . 5.500 3.225 1.789 4.272 . 0 0 "[ . 1 . 2]" 1
661 1 33 ASN H 1 34 CYS H . . 3.550 2.427 1.666 2.828 . 0 0 "[ . 1 . 2]" 1
662 1 33 ASN QB 1 34 CYS H . . 3.920 3.527 2.856 3.849 . 0 0 "[ . 1 . 2]" 1
663 1 33 ASN HB2 1 34 CYS H . . 4.640 3.946 3.760 4.318 . 0 0 "[ . 1 . 2]" 1
664 1 33 ASN HB3 1 34 CYS H . . 4.640 4.022 2.914 4.323 . 0 0 "[ . 1 . 2]" 1
665 1 33 ASN HD21 1 34 CYS H . . 5.120 3.103 2.123 3.555 . 0 0 "[ . 1 . 2]" 1
666 1 33 ASN HD21 1 34 CYS HB2 . . 5.500 3.702 2.416 5.053 . 0 0 "[ . 1 . 2]" 1
667 1 33 ASN HD21 1 34 CYS HB3 . . 5.500 4.658 3.577 5.577 0.077 17 0 "[ . 1 . 2]" 1
668 1 33 ASN HD22 1 34 CYS H . . 3.250 3.366 3.280 3.488 0.238 5 0 "[ . 1 . 2]" 1
669 1 34 CYS H 1 34 CYS HB2 . . 4.100 2.691 2.329 3.008 . 0 0 "[ . 1 . 2]" 1
670 1 34 CYS H 1 34 CYS HB3 . . 3.660 3.019 2.520 3.712 0.052 16 0 "[ . 1 . 2]" 1
671 1 34 CYS H 1 35 ALA H . . 3.990 3.143 2.055 4.100 0.110 15 0 "[ . 1 . 2]" 1
672 1 34 CYS HA 1 35 ALA MB . . 5.160 4.035 3.930 4.210 . 0 0 "[ . 1 . 2]" 1
673 1 34 CYS HB2 1 35 ALA H . . 5.100 3.175 1.831 4.364 . 0 0 "[ . 1 . 2]" 1
674 1 34 CYS HB2 1 37 GLN HE21 . . 5.110 4.589 2.510 5.245 0.135 13 0 "[ . 1 . 2]" 1
675 1 34 CYS HB2 1 37 GLN HE22 . . 5.110 3.656 2.701 4.482 . 0 0 "[ . 1 . 2]" 1
676 1 34 CYS HB2 1 37 GLN QG . . 5.340 4.626 2.979 5.391 0.051 3 0 "[ . 1 . 2]" 1
677 1 34 CYS HB3 1 35 ALA H . . 5.420 2.174 1.587 4.218 . 0 0 "[ . 1 . 2]" 1
678 1 34 CYS HB3 1 37 GLN HE21 . . 5.040 4.076 2.242 5.082 0.042 19 0 "[ . 1 . 2]" 1
679 1 34 CYS HB3 1 37 GLN HE22 . . 5.040 3.153 2.269 5.042 0.002 16 0 "[ . 1 . 2]" 1
680 1 34 CYS HB3 1 37 GLN QG . . 5.340 4.168 2.550 4.821 . 0 0 "[ . 1 . 2]" 1
681 1 35 ALA HA 1 36 LEU HG . . 5.130 4.542 4.005 5.335 0.205 5 0 "[ . 1 . 2]" 1
682 1 35 ALA MB 1 36 LEU H . . 4.950 1.874 1.726 2.291 . 0 0 "[ . 1 . 2]" 1
683 1 36 LEU HA 1 36 LEU MD1 . . 3.970 3.736 3.011 4.052 0.082 16 0 "[ . 1 . 2]" 1
684 1 36 LEU HA 1 36 LEU MD2 . . 3.970 2.590 1.970 4.055 0.085 19 0 "[ . 1 . 2]" 1
685 1 36 LEU HA 1 37 GLN H . . 3.530 2.109 1.965 2.265 . 0 0 "[ . 1 . 2]" 1
686 1 36 LEU HA 1 37 GLN HA . . 5.500 4.318 4.215 4.479 . 0 0 "[ . 1 . 2]" 1
687 1 36 LEU HA 1 37 GLN QG . . 5.340 4.692 3.274 5.188 . 0 0 "[ . 1 . 2]" 1
688 1 36 LEU HA 1 53 PRO HG3 . . 5.500 5.217 4.899 5.618 0.118 19 0 "[ . 1 . 2]" 1
689 1 36 LEU HB2 1 37 GLN H . . 4.720 4.049 3.032 4.643 . 0 0 "[ . 1 . 2]" 1
690 1 36 LEU HB3 1 37 GLN H . . 4.720 3.550 3.041 4.196 . 0 0 "[ . 1 . 2]" 1
691 1 36 LEU QD 1 38 ILE H . . 5.440 5.306 4.058 5.621 0.181 9 0 "[ . 1 . 2]" 1
692 1 36 LEU QD 1 53 PRO HG2 . . 3.940 3.719 2.821 3.964 0.024 8 0 "[ . 1 . 2]" 1
693 1 36 LEU HG 1 37 GLN H . . 5.500 4.947 3.909 5.321 . 0 0 "[ . 1 . 2]" 1
694 1 37 GLN H 1 37 GLN QE . . 5.130 2.699 1.641 4.425 . 0 0 "[ . 1 . 2]" 1
695 1 37 GLN H 1 37 GLN QG . . 4.300 3.443 2.362 3.912 . 0 0 "[ . 1 . 2]" 1
696 1 37 GLN H 1 38 ILE H . . 5.500 4.282 4.147 4.418 . 0 0 "[ . 1 . 2]" 1
697 1 37 GLN HA 1 37 GLN QE . . 5.340 3.968 3.270 4.990 . 0 0 "[ . 1 . 2]" 1
698 1 37 GLN HB2 1 37 GLN HE22 . . 5.470 3.692 3.333 5.129 . 0 0 "[ . 1 . 2]" 1
699 1 37 GLN HB2 1 38 ILE H . . 5.050 4.056 3.112 4.232 . 0 0 "[ . 1 . 2]" 1
700 1 37 GLN HB3 1 37 GLN QE . . 4.370 3.385 1.818 4.049 . 0 0 "[ . 1 . 2]" 1
701 1 37 GLN HB3 1 37 GLN HE22 . . 5.060 4.693 3.399 5.024 . 0 0 "[ . 1 . 2]" 1
702 1 37 GLN HB3 1 38 ILE H . . 4.590 3.298 2.801 4.291 . 0 0 "[ . 1 . 2]" 1
703 1 37 GLN QG 1 38 ILE H . . 5.280 4.137 3.920 4.392 . 0 0 "[ . 1 . 2]" 1
704 1 38 ILE H 1 38 ILE HB . . 4.000 2.672 2.622 2.747 . 0 0 "[ . 1 . 2]" 1
705 1 38 ILE H 1 38 ILE MD . . 4.490 3.830 3.731 3.933 . 0 0 "[ . 1 . 2]" 1
706 1 38 ILE H 1 38 ILE HG12 . . 4.390 3.598 3.482 3.731 . 0 0 "[ . 1 . 2]" 1
707 1 38 ILE H 1 38 ILE HG13 . . 5.010 2.438 2.305 2.598 . 0 0 "[ . 1 . 2]" 1
708 1 38 ILE H 1 39 VAL H . . 5.500 4.425 4.357 4.457 . 0 0 "[ . 1 . 2]" 1
709 1 38 ILE H 1 51 ILE H . . 5.500 3.348 3.180 3.612 . 0 0 "[ . 1 . 2]" 1
710 1 38 ILE HA 1 38 ILE MD . . 4.560 3.859 3.825 3.913 . 0 0 "[ . 1 . 2]" 1
711 1 38 ILE HA 1 39 VAL H . . 3.480 2.314 2.263 2.357 . 0 0 "[ . 1 . 2]" 1
712 1 38 ILE HA 1 39 VAL QG . . 4.960 3.234 3.149 3.296 . 0 0 "[ . 1 . 2]" 1
713 1 38 ILE HA 1 51 ILE H . . 5.250 4.411 4.326 4.579 . 0 0 "[ . 1 . 2]" 1
714 1 38 ILE HA 1 51 ILE MD . . 5.500 4.649 4.507 4.731 . 0 0 "[ . 1 . 2]" 1
715 1 38 ILE HB 1 39 VAL H . . 4.430 3.705 3.625 3.816 . 0 0 "[ . 1 . 2]" 1
716 1 38 ILE HB 1 50 CYS HA . . 5.500 4.477 4.286 4.725 . 0 0 "[ . 1 . 2]" 1
717 1 38 ILE HB 1 51 ILE H . . 4.340 2.564 2.406 2.877 . 0 0 "[ . 1 . 2]" 1
718 1 38 ILE HB 1 51 ILE HB . . 4.390 2.142 1.823 3.272 . 0 0 "[ . 1 . 2]" 1
719 1 38 ILE HB 1 51 ILE HG12 . . 5.370 4.289 3.591 4.653 . 0 0 "[ . 1 . 2]" 1
720 1 38 ILE HB 1 51 ILE HG13 . . 5.430 2.938 1.892 3.416 . 0 0 "[ . 1 . 2]" 1
721 1 38 ILE HB 1 58 ILE MD . . 5.500 3.953 3.754 4.093 . 0 0 "[ . 1 . 2]" 1
722 1 38 ILE HB 1 58 ILE MG . . 5.110 4.300 4.171 4.398 . 0 0 "[ . 1 . 2]" 1
723 1 38 ILE MD 1 51 ILE HA . . 5.500 4.910 4.703 5.219 . 0 0 "[ . 1 . 2]" 1
724 1 38 ILE MD 1 53 PRO HA . . 4.250 1.992 1.820 2.220 . 0 0 "[ . 1 . 2]" 1
725 1 38 ILE MD 1 53 PRO HB2 . . 4.200 3.379 3.261 3.554 . 0 0 "[ . 1 . 2]" 1
726 1 38 ILE MD 1 53 PRO HD2 . . 5.500 4.372 4.164 4.587 . 0 0 "[ . 1 . 2]" 1
727 1 38 ILE MD 1 53 PRO HD3 . . 5.500 3.301 3.012 3.674 . 0 0 "[ . 1 . 2]" 1
728 1 38 ILE MD 1 54 LYS H . . 5.400 4.544 4.421 4.627 . 0 0 "[ . 1 . 2]" 1
729 1 38 ILE MD 1 58 ILE MD . . 4.160 2.491 2.295 2.742 . 0 0 "[ . 1 . 2]" 1
730 1 38 ILE MD 1 58 ILE HG12 . . 4.260 4.298 4.214 4.366 0.106 13 0 "[ . 1 . 2]" 1
731 1 38 ILE MD 1 58 ILE HG13 . . 4.380 3.015 2.935 3.045 . 0 0 "[ . 1 . 2]" 1
732 1 38 ILE MD 1 58 ILE MG . . 3.260 1.768 1.729 1.807 . 0 0 "[ . 1 . 2]" 1
733 1 38 ILE HG12 1 38 ILE MG . . 3.580 2.389 2.365 2.425 . 0 0 "[ . 1 . 2]" 1
734 1 38 ILE HG12 1 39 VAL H . . 5.500 4.546 4.472 4.709 . 0 0 "[ . 1 . 2]" 1
735 1 38 ILE HG12 1 53 PRO HA . . 5.500 4.560 4.266 4.820 . 0 0 "[ . 1 . 2]" 1
736 1 38 ILE HG12 1 58 ILE MD . . 5.500 4.468 4.310 4.754 . 0 0 "[ . 1 . 2]" 1
737 1 38 ILE HG13 1 38 ILE MG . . 3.580 3.194 3.184 3.200 . 0 0 "[ . 1 . 2]" 1
738 1 38 ILE HG13 1 58 ILE MD . . 5.500 4.991 4.834 5.204 . 0 0 "[ . 1 . 2]" 1
739 1 38 ILE MG 1 39 VAL H . . 4.160 2.163 2.080 2.255 . 0 0 "[ . 1 . 2]" 1
740 1 38 ILE MG 1 39 VAL HA . . 5.490 3.794 3.724 3.959 . 0 0 "[ . 1 . 2]" 1
741 1 38 ILE MG 1 40 ALA HA . . 5.500 4.583 4.425 4.760 . 0 0 "[ . 1 . 2]" 1
742 1 38 ILE MG 1 51 ILE H . . 4.060 3.488 3.183 3.755 . 0 0 "[ . 1 . 2]" 1
743 1 38 ILE MG 1 51 ILE HB . . 3.620 2.608 2.160 3.611 . 0 0 "[ . 1 . 2]" 1
744 1 38 ILE MG 1 51 ILE MD . . 2.400 1.922 1.855 2.059 . 0 0 "[ . 1 . 2]" 1
745 1 38 ILE MG 1 51 ILE HG12 . . 4.000 3.789 3.223 3.950 . 0 0 "[ . 1 . 2]" 1
746 1 38 ILE MG 1 51 ILE HG13 . . 4.740 2.577 2.113 2.739 . 0 0 "[ . 1 . 2]" 1
747 1 38 ILE MG 1 58 ILE MD . . 3.340 2.074 1.956 2.201 . 0 0 "[ . 1 . 2]" 1
748 1 38 ILE MG 1 58 ILE HG13 . . 4.850 3.659 3.433 3.886 . 0 0 "[ . 1 . 2]" 1
749 1 39 VAL H 1 39 VAL HB . . 4.190 3.863 3.806 3.886 . 0 0 "[ . 1 . 2]" 1
750 1 39 VAL H 1 39 VAL QG . . 3.780 2.195 2.114 2.231 . 0 0 "[ . 1 . 2]" 1
751 1 39 VAL H 1 40 ALA H . . 5.210 4.352 4.311 4.398 . 0 0 "[ . 1 . 2]" 1
752 1 39 VAL H 1 51 ILE MD . . 5.500 3.741 3.508 3.894 . 0 0 "[ . 1 . 2]" 1
753 1 39 VAL H 1 51 ILE HG12 . . 5.500 5.247 4.193 5.511 0.011 14 0 "[ . 1 . 2]" 1
754 1 39 VAL H 1 51 ILE HG13 . . 5.500 3.697 3.395 3.805 . 0 0 "[ . 1 . 2]" 1
755 1 39 VAL HA 1 40 ALA H . . 3.420 2.180 2.147 2.219 . 0 0 "[ . 1 . 2]" 1
756 1 39 VAL HA 1 40 ALA MB . . 4.980 3.942 3.876 3.995 . 0 0 "[ . 1 . 2]" 1
757 1 39 VAL HA 1 49 VAL H . . 5.500 4.620 4.224 4.853 . 0 0 "[ . 1 . 2]" 1
758 1 39 VAL HA 1 50 CYS H . . 5.500 4.451 4.279 4.562 . 0 0 "[ . 1 . 2]" 1
759 1 39 VAL HA 1 50 CYS HA . . 4.660 2.139 2.023 2.493 . 0 0 "[ . 1 . 2]" 1
760 1 39 VAL HA 1 50 CYS HB3 . . 5.500 4.460 4.228 4.955 . 0 0 "[ . 1 . 2]" 1
761 1 39 VAL HA 1 51 ILE H . . 4.400 2.943 2.807 3.119 . 0 0 "[ . 1 . 2]" 1
762 1 39 VAL HA 1 51 ILE MD . . 5.500 4.127 3.925 4.295 . 0 0 "[ . 1 . 2]" 1
763 1 39 VAL HA 1 51 ILE HG12 . . 5.500 4.211 3.061 4.536 . 0 0 "[ . 1 . 2]" 1
764 1 39 VAL HA 1 51 ILE HG13 . . 5.500 3.078 2.910 3.627 . 0 0 "[ . 1 . 2]" 1
765 1 39 VAL HB 1 40 ALA H . . 4.230 3.107 2.968 3.259 . 0 0 "[ . 1 . 2]" 1
766 1 39 VAL HB 1 40 ALA HA . . 5.500 4.589 4.450 4.691 . 0 0 "[ . 1 . 2]" 1
767 1 39 VAL HB 1 48 GLN HG2 . . 5.380 3.430 2.707 4.852 . 0 0 "[ . 1 . 2]" 1
768 1 39 VAL HB 1 48 GLN HG3 . . 5.500 2.608 2.349 3.371 . 0 0 "[ . 1 . 2]" 1
769 1 39 VAL HB 1 49 VAL H . . 5.500 4.794 4.558 5.048 . 0 0 "[ . 1 . 2]" 1
770 1 39 VAL HB 1 50 CYS HA . . 5.500 4.198 4.005 4.614 . 0 0 "[ . 1 . 2]" 1
771 1 39 VAL QG 1 40 ALA H . . 3.840 3.479 3.421 3.546 . 0 0 "[ . 1 . 2]" 1
772 1 39 VAL QG 1 40 ALA HA . . 5.500 3.953 3.756 4.050 . 0 0 "[ . 1 . 2]" 1
773 1 39 VAL QG 1 48 GLN HG2 . . 4.670 3.647 3.221 4.608 . 0 0 "[ . 1 . 2]" 1
774 1 39 VAL QG 1 48 GLN HG3 . . 4.200 3.383 3.188 3.696 . 0 0 "[ . 1 . 2]" 1
775 1 39 VAL QG 1 50 CYS H . . 4.340 4.309 4.036 4.389 0.049 5 0 "[ . 1 . 2]" 1
776 1 39 VAL QG 1 50 CYS HA . . 5.120 2.876 2.750 3.052 . 0 0 "[ . 1 . 2]" 1
777 1 39 VAL QG 1 50 CYS HB2 . . 5.500 4.665 4.497 5.081 . 0 0 "[ . 1 . 2]" 1
778 1 39 VAL QG 1 50 CYS HB3 . . 5.500 4.065 3.849 4.547 . 0 0 "[ . 1 . 2]" 1
779 1 39 VAL QG 1 51 ILE H . . 4.510 3.984 3.923 4.055 . 0 0 "[ . 1 . 2]" 1
780 1 40 ALA H 1 41 ARG H . . 5.430 4.182 4.025 4.300 . 0 0 "[ . 1 . 2]" 1
781 1 40 ALA H 1 48 GLN HA . . 5.500 4.041 3.764 4.224 . 0 0 "[ . 1 . 2]" 1
782 1 40 ALA H 1 48 GLN HG2 . . 5.500 4.378 3.708 5.538 0.038 8 0 "[ . 1 . 2]" 1
783 1 40 ALA H 1 48 GLN HG3 . . 5.350 3.077 2.505 4.175 . 0 0 "[ . 1 . 2]" 1
784 1 40 ALA H 1 49 VAL H . . 4.010 2.872 2.448 3.119 . 0 0 "[ . 1 . 2]" 1
785 1 40 ALA H 1 49 VAL MG2 . . 5.500 3.440 3.213 3.613 . 0 0 "[ . 1 . 2]" 1
786 1 40 ALA H 1 50 CYS HA . . 4.940 3.349 3.102 3.775 . 0 0 "[ . 1 . 2]" 1
787 1 40 ALA H 1 51 ILE H . . 5.290 4.013 3.813 4.203 . 0 0 "[ . 1 . 2]" 1
788 1 40 ALA H 1 51 ILE MD . . 4.780 3.694 3.561 3.854 . 0 0 "[ . 1 . 2]" 1
789 1 40 ALA H 1 51 ILE HG12 . . 5.500 3.537 2.797 3.840 . 0 0 "[ . 1 . 2]" 1
790 1 40 ALA H 1 51 ILE HG13 . . 5.360 3.210 2.905 4.208 . 0 0 "[ . 1 . 2]" 1
791 1 40 ALA H 1 51 ILE MG . . 5.500 5.204 4.186 5.499 . 0 0 "[ . 1 . 2]" 1
792 1 40 ALA HA 1 41 ARG H . . 3.300 2.179 2.074 2.238 . 0 0 "[ . 1 . 2]" 1
793 1 40 ALA HA 1 41 ARG HB2 . . 5.460 4.839 4.686 4.995 . 0 0 "[ . 1 . 2]" 1
794 1 40 ALA HA 1 41 ARG HB3 . . 5.500 4.722 4.550 4.858 . 0 0 "[ . 1 . 2]" 1
795 1 40 ALA HA 1 51 ILE MD . . 4.670 2.913 2.689 3.430 . 0 0 "[ . 1 . 2]" 1
796 1 40 ALA HA 1 51 ILE HG13 . . 5.500 4.235 3.929 5.240 . 0 0 "[ . 1 . 2]" 1
797 1 40 ALA MB 1 41 ARG H . . 3.750 3.276 3.091 3.400 . 0 0 "[ . 1 . 2]" 1
798 1 40 ALA MB 1 48 GLN HA . . 5.500 4.096 3.840 4.297 . 0 0 "[ . 1 . 2]" 1
799 1 40 ALA MB 1 49 VAL H . . 4.790 3.069 2.768 3.524 . 0 0 "[ . 1 . 2]" 1
800 1 40 ALA MB 1 51 ILE H . . 4.310 4.310 4.184 4.362 0.052 11 0 "[ . 1 . 2]" 1
801 1 40 ALA MB 1 51 ILE HA . . 5.350 4.344 4.171 4.866 . 0 0 "[ . 1 . 2]" 1
802 1 40 ALA MB 1 51 ILE MD . . 3.450 1.774 1.738 1.808 . 0 0 "[ . 1 . 2]" 1
803 1 40 ALA MB 1 57 TRP HH2 . . 5.500 3.913 3.562 4.138 . 0 0 "[ . 1 . 2]" 1
804 1 40 ALA MB 1 57 TRP HZ2 . . 4.300 4.292 4.097 4.358 0.058 14 0 "[ . 1 . 2]" 1
805 1 40 ALA MB 1 58 ILE MD . . 5.500 4.086 3.861 4.205 . 0 0 "[ . 1 . 2]" 1
806 1 41 ARG H 1 41 ARG HB2 . . 3.670 3.000 2.891 3.088 . 0 0 "[ . 1 . 2]" 1
807 1 41 ARG H 1 41 ARG QD . . 5.500 4.936 4.551 5.081 . 0 0 "[ . 1 . 2]" 1
808 1 41 ARG H 1 41 ARG HG2 . . 4.850 4.396 4.342 4.449 . 0 0 "[ . 1 . 2]" 1
809 1 41 ARG H 1 42 LEU H . . 5.220 4.293 4.234 4.378 . 0 0 "[ . 1 . 2]" 1
810 1 41 ARG H 1 51 ILE MD . . 5.100 4.836 4.667 5.137 0.037 9 0 "[ . 1 . 2]" 1
811 1 41 ARG HA 1 41 ARG QD . . 4.480 3.811 3.734 3.900 . 0 0 "[ . 1 . 2]" 1
812 1 41 ARG HA 1 42 LEU H . . 3.210 1.973 1.891 2.059 . 0 0 "[ . 1 . 2]" 1
813 1 41 ARG HA 1 42 LEU HB2 . . 5.500 4.482 4.053 4.828 . 0 0 "[ . 1 . 2]" 1
814 1 41 ARG HA 1 42 LEU MD2 . . 5.290 3.349 3.060 3.500 . 0 0 "[ . 1 . 2]" 1
815 1 41 ARG HA 1 47 ARG H . . 5.500 4.614 4.329 5.310 . 0 0 "[ . 1 . 2]" 1
816 1 41 ARG HA 1 47 ARG HA . . 5.500 4.699 4.432 5.062 . 0 0 "[ . 1 . 2]" 1
817 1 41 ARG HA 1 48 GLN H . . 5.440 4.165 3.967 4.381 . 0 0 "[ . 1 . 2]" 1
818 1 41 ARG HA 1 48 GLN HA . . 4.130 1.989 1.901 2.045 . 0 0 "[ . 1 . 2]" 1
819 1 41 ARG HA 1 48 GLN HB2 . . 5.500 2.894 2.624 3.323 . 0 0 "[ . 1 . 2]" 1
820 1 41 ARG HA 1 48 GLN HB3 . . 5.500 4.059 2.849 4.406 . 0 0 "[ . 1 . 2]" 1
821 1 41 ARG HA 1 48 GLN HG2 . . 5.500 4.958 4.670 5.241 . 0 0 "[ . 1 . 2]" 1
822 1 41 ARG HA 1 49 VAL H . . 4.170 3.506 3.340 3.678 . 0 0 "[ . 1 . 2]" 1
823 1 41 ARG HB2 1 41 ARG HG2 . . 2.890 2.952 2.929 2.969 0.079 6 0 "[ . 1 . 2]" 1
824 1 41 ARG HB2 1 41 ARG HG3 . . 2.880 2.553 2.496 2.633 . 0 0 "[ . 1 . 2]" 1
825 1 41 ARG HB2 1 42 LEU H . . 4.060 4.044 3.977 4.093 0.033 10 0 "[ . 1 . 2]" 1
826 1 41 ARG HB2 1 46 ASN HA . . 5.500 5.496 5.217 5.613 0.113 5 0 "[ . 1 . 2]" 1
827 1 41 ARG HB2 1 48 GLN HA . . 5.230 3.437 3.149 3.713 . 0 0 "[ . 1 . 2]" 1
828 1 41 ARG HB3 1 41 ARG HG2 . . 2.690 2.279 2.246 2.306 . 0 0 "[ . 1 . 2]" 1
829 1 41 ARG HB3 1 42 LEU H . . 4.060 4.097 4.063 4.126 0.066 3 0 "[ . 1 . 2]" 1
830 1 41 ARG HB3 1 46 ASN HA . . 5.500 5.238 4.946 5.449 . 0 0 "[ . 1 . 2]" 1
831 1 41 ARG HB3 1 48 GLN HA . . 5.500 4.652 4.438 4.817 . 0 0 "[ . 1 . 2]" 1
832 1 41 ARG QD 1 42 LEU H . . 4.510 4.485 4.301 4.560 0.050 6 0 "[ . 1 . 2]" 1
833 1 41 ARG QD 1 46 ASN HA . . 4.440 3.567 3.179 4.398 . 0 0 "[ . 1 . 2]" 1
834 1 41 ARG QD 1 48 GLN H . . 5.270 4.375 3.954 4.733 . 0 0 "[ . 1 . 2]" 1
835 1 41 ARG QD 1 48 GLN HA . . 5.260 4.474 4.165 4.723 . 0 0 "[ . 1 . 2]" 1
836 1 41 ARG QD 1 48 GLN HB2 . . 5.500 3.111 2.747 4.442 . 0 0 "[ . 1 . 2]" 1
837 1 41 ARG QD 1 48 GLN HB3 . . 5.170 3.745 2.832 4.147 . 0 0 "[ . 1 . 2]" 1
838 1 41 ARG QD 1 48 GLN HG2 . . 5.500 5.427 4.853 5.593 0.093 12 0 "[ . 1 . 2]" 1
839 1 41 ARG QD 1 48 GLN HG3 . . 5.500 5.149 4.935 5.569 0.069 11 0 "[ . 1 . 2]" 1
840 1 41 ARG HG2 1 42 LEU H . . 4.150 3.374 3.207 3.630 . 0 0 "[ . 1 . 2]" 1
841 1 41 ARG HG2 1 43 LYS HA . . 4.500 4.537 4.364 4.600 0.100 6 0 "[ . 1 . 2]" 1
842 1 41 ARG HG2 1 46 ASN HA . . 4.610 3.014 2.767 3.189 . 0 0 "[ . 1 . 2]" 1
843 1 41 ARG HG2 1 48 GLN HA . . 5.420 4.998 4.826 5.142 . 0 0 "[ . 1 . 2]" 1
844 1 41 ARG HG3 1 42 LEU H . . 5.500 2.676 2.491 2.755 . 0 0 "[ . 1 . 2]" 1
845 1 41 ARG HG3 1 46 ASN H . . 5.060 4.564 4.322 4.839 . 0 0 "[ . 1 . 2]" 1
846 1 41 ARG HG3 1 46 ASN HA . . 5.500 3.081 2.785 3.312 . 0 0 "[ . 1 . 2]" 1
847 1 41 ARG HG3 1 48 GLN H . . 4.110 4.102 3.939 4.152 0.042 18 0 "[ . 1 . 2]" 1
848 1 41 ARG HG3 1 48 GLN HA . . 5.070 3.623 3.395 3.758 . 0 0 "[ . 1 . 2]" 1
849 1 42 LEU H 1 42 LEU HB2 . . 3.580 2.521 2.185 2.771 . 0 0 "[ . 1 . 2]" 1
850 1 42 LEU H 1 42 LEU HB3 . . 3.750 3.667 3.484 3.742 . 0 0 "[ . 1 . 2]" 1
851 1 42 LEU H 1 42 LEU MD1 . . 4.400 4.004 3.914 4.107 . 0 0 "[ . 1 . 2]" 1
852 1 42 LEU H 1 42 LEU MD2 . . 4.140 2.566 2.162 2.700 . 0 0 "[ . 1 . 2]" 1
853 1 42 LEU H 1 42 LEU HG . . 4.390 2.625 2.380 3.642 . 0 0 "[ . 1 . 2]" 1
854 1 42 LEU H 1 43 LYS H . . 4.940 4.582 4.447 4.656 . 0 0 "[ . 1 . 2]" 1
855 1 42 LEU H 1 46 ASN H . . 4.930 3.925 3.831 4.146 . 0 0 "[ . 1 . 2]" 1
856 1 42 LEU H 1 46 ASN HA . . 5.100 3.851 3.359 4.167 . 0 0 "[ . 1 . 2]" 1
857 1 42 LEU H 1 47 ARG H . . 4.330 3.194 2.953 4.022 . 0 0 "[ . 1 . 2]" 1
858 1 42 LEU H 1 47 ARG HA . . 5.500 4.464 4.318 4.851 . 0 0 "[ . 1 . 2]" 1
859 1 42 LEU H 1 48 GLN HA . . 3.840 3.235 2.834 3.409 . 0 0 "[ . 1 . 2]" 1
860 1 42 LEU H 1 48 GLN HB2 . . 5.500 4.531 4.308 5.127 . 0 0 "[ . 1 . 2]" 1
861 1 42 LEU H 1 48 GLN HB3 . . 5.500 5.435 4.333 5.645 0.145 2 0 "[ . 1 . 2]" 1
862 1 42 LEU HA 1 42 LEU MD2 . . 3.680 2.181 2.134 2.283 . 0 0 "[ . 1 . 2]" 1
863 1 42 LEU HA 1 43 LYS H . . 3.090 2.161 2.071 2.242 . 0 0 "[ . 1 . 2]" 1
864 1 42 LEU HA 1 43 LYS HA . . 5.500 4.328 4.238 4.375 . 0 0 "[ . 1 . 2]" 1
865 1 42 LEU HA 1 44 ASN H . . 4.980 4.011 3.704 4.326 . 0 0 "[ . 1 . 2]" 1
866 1 42 LEU HB2 1 42 LEU MD1 . . 3.650 2.690 2.531 3.142 . 0 0 "[ . 1 . 2]" 1
867 1 42 LEU HB2 1 43 LYS H . . 5.350 3.960 3.805 4.320 . 0 0 "[ . 1 . 2]" 1
868 1 42 LEU HB2 1 44 ASN H . . 5.500 3.952 3.607 4.549 . 0 0 "[ . 1 . 2]" 1
869 1 42 LEU HB2 1 45 ASN H . . 4.760 2.740 2.357 3.541 . 0 0 "[ . 1 . 2]" 1
870 1 42 LEU HB2 1 45 ASN HB3 . . 5.500 2.041 1.847 2.709 . 0 0 "[ . 1 . 2]" 1
871 1 42 LEU HB3 1 43 LYS H . . 4.310 3.056 2.812 3.414 . 0 0 "[ . 1 . 2]" 1
872 1 42 LEU HB3 1 44 ASN H . . 4.810 2.895 2.685 3.099 . 0 0 "[ . 1 . 2]" 1
873 1 42 LEU HB3 1 45 ASN H . . 4.790 2.278 1.901 2.681 . 0 0 "[ . 1 . 2]" 1
874 1 42 LEU HB3 1 45 ASN HA . . 5.500 4.724 4.381 5.218 . 0 0 "[ . 1 . 2]" 1
875 1 42 LEU HB3 1 45 ASN HB2 . . 5.500 3.454 3.155 4.083 . 0 0 "[ . 1 . 2]" 1
876 1 42 LEU HB3 1 45 ASN HB3 . . 5.500 2.773 2.040 3.734 . 0 0 "[ . 1 . 2]" 1
877 1 42 LEU HB3 1 46 ASN H . . 4.840 3.154 2.810 3.381 . 0 0 "[ . 1 . 2]" 1
878 1 42 LEU HB3 1 47 ARG H . . 4.010 4.117 4.036 4.174 0.164 11 0 "[ . 1 . 2]" 1
879 1 42 LEU MD1 1 43 LYS H . . 4.930 4.514 3.433 4.769 . 0 0 "[ . 1 . 2]" 1
880 1 42 LEU MD1 1 44 ASN H . . 5.430 4.348 3.858 4.534 . 0 0 "[ . 1 . 2]" 1
881 1 42 LEU MD1 1 45 ASN H . . 5.500 3.202 2.866 3.482 . 0 0 "[ . 1 . 2]" 1
882 1 42 LEU MD1 1 45 ASN HD21 . . 4.630 2.315 1.739 3.745 . 0 0 "[ . 1 . 2]" 1
883 1 42 LEU MD1 1 46 ASN H . . 5.500 4.214 3.757 4.630 . 0 0 "[ . 1 . 2]" 1
884 1 42 LEU MD2 1 43 LYS H . . 3.920 3.812 3.703 3.980 0.060 15 0 "[ . 1 . 2]" 1
885 1 42 LEU MD2 1 44 ASN H . . 5.500 4.898 4.533 5.343 . 0 0 "[ . 1 . 2]" 1
886 1 42 LEU MD2 1 48 GLN HA . . 5.500 3.953 2.949 4.303 . 0 0 "[ . 1 . 2]" 1
887 1 42 LEU HG 1 43 LYS H . . 5.500 5.264 5.204 5.448 . 0 0 "[ . 1 . 2]" 1
888 1 42 LEU HG 1 45 ASN HA . . 5.500 5.694 5.516 5.743 0.243 13 0 "[ . 1 . 2]" 1
889 1 42 LEU HG 1 47 ARG H . . 5.500 3.324 2.491 4.310 . 0 0 "[ . 1 . 2]" 1
890 1 43 LYS H 1 43 LYS HB2 . . 3.790 2.559 2.481 2.604 . 0 0 "[ . 1 . 2]" 1
891 1 43 LYS H 1 43 LYS QD . . 5.500 3.724 3.634 3.833 . 0 0 "[ . 1 . 2]" 1
892 1 43 LYS H 1 43 LYS HE2 . . 5.280 5.243 5.133 5.304 0.024 10 0 "[ . 1 . 2]" 1
893 1 43 LYS H 1 43 LYS HE3 . . 5.300 4.658 4.505 4.794 . 0 0 "[ . 1 . 2]" 1
894 1 43 LYS H 1 43 LYS HG2 . . 4.010 3.435 3.352 3.486 . 0 0 "[ . 1 . 2]" 1
895 1 43 LYS H 1 43 LYS HG3 . . 3.750 2.207 2.119 2.289 . 0 0 "[ . 1 . 2]" 1
896 1 43 LYS H 1 44 ASN H . . 3.920 2.586 2.441 2.946 . 0 0 "[ . 1 . 2]" 1
897 1 43 LYS H 1 45 ASN H . . 5.330 4.230 4.009 4.581 . 0 0 "[ . 1 . 2]" 1
898 1 43 LYS H 1 46 ASN H . . 5.500 4.373 4.217 4.600 . 0 0 "[ . 1 . 2]" 1
899 1 43 LYS HA 1 43 LYS HE2 . . 4.950 4.834 4.724 4.943 . 0 0 "[ . 1 . 2]" 1
900 1 43 LYS HA 1 43 LYS HG2 . . 4.010 2.592 2.522 2.668 . 0 0 "[ . 1 . 2]" 1
901 1 43 LYS HA 1 45 ASN H . . 5.500 5.139 4.780 5.502 0.002 13 0 "[ . 1 . 2]" 1
902 1 43 LYS HA 1 46 ASN H . . 5.220 4.271 4.045 4.543 . 0 0 "[ . 1 . 2]" 1
903 1 43 LYS HB2 1 43 LYS HE2 . . 5.350 4.332 4.302 4.365 . 0 0 "[ . 1 . 2]" 1
904 1 43 LYS HB2 1 43 LYS HE3 . . 5.500 4.286 4.241 4.347 . 0 0 "[ . 1 . 2]" 1
905 1 43 LYS HB2 1 44 ASN H . . 4.260 2.605 2.489 2.795 . 0 0 "[ . 1 . 2]" 1
906 1 43 LYS HB3 1 43 LYS HE2 . . 3.610 3.789 3.761 3.799 0.189 8 0 "[ . 1 . 2]" 1
907 1 43 LYS HB3 1 43 LYS HE3 . . 5.500 4.446 4.426 4.469 . 0 0 "[ . 1 . 2]" 1
908 1 43 LYS HB3 1 44 ASN H . . 3.910 3.680 3.598 3.813 . 0 0 "[ . 1 . 2]" 1
909 1 43 LYS HE2 1 43 LYS HG2 . . 3.620 2.265 2.220 2.308 . 0 0 "[ . 1 . 2]" 1
910 1 43 LYS HE2 1 43 LYS HG3 . . 3.950 3.087 3.054 3.139 . 0 0 "[ . 1 . 2]" 1
911 1 43 LYS HE3 1 43 LYS HG2 . . 4.170 2.817 2.759 2.872 . 0 0 "[ . 1 . 2]" 1
912 1 43 LYS HE3 1 43 LYS HG3 . . 4.230 2.520 2.463 2.564 . 0 0 "[ . 1 . 2]" 1
913 1 43 LYS HG2 1 44 ASN H . . 5.160 4.924 4.835 5.097 . 0 0 "[ . 1 . 2]" 1
914 1 43 LYS HG3 1 44 ASN H . . 5.500 4.178 4.010 4.463 . 0 0 "[ . 1 . 2]" 1
915 1 44 ASN H 1 44 ASN HB2 . . 4.020 2.659 2.411 2.900 . 0 0 "[ . 1 . 2]" 1
916 1 44 ASN H 1 44 ASN QB . . 3.530 2.365 2.204 2.575 . 0 0 "[ . 1 . 2]" 1
917 1 44 ASN H 1 44 ASN HB3 . . 4.020 2.946 2.328 3.717 . 0 0 "[ . 1 . 2]" 1
918 1 44 ASN H 1 45 ASN H . . 3.920 2.465 2.147 2.869 . 0 0 "[ . 1 . 2]" 1
919 1 44 ASN H 1 46 ASN H . . 5.440 3.575 3.319 3.759 . 0 0 "[ . 1 . 2]" 1
920 1 44 ASN HA 1 46 ASN H . . 5.120 4.282 4.068 4.496 . 0 0 "[ . 1 . 2]" 1
921 1 44 ASN QB 1 45 ASN H . . 3.850 2.446 2.193 2.696 . 0 0 "[ . 1 . 2]" 1
922 1 44 ASN HB2 1 45 ASN H . . 4.650 3.312 2.241 3.948 . 0 0 "[ . 1 . 2]" 1
923 1 44 ASN HB2 1 45 ASN HA . . 5.500 5.080 4.126 5.567 0.067 16 0 "[ . 1 . 2]" 1
924 1 44 ASN HB3 1 45 ASN H . . 4.650 2.863 2.219 3.655 . 0 0 "[ . 1 . 2]" 1
925 1 44 ASN HB3 1 45 ASN HA . . 5.500 4.314 4.159 4.442 . 0 0 "[ . 1 . 2]" 1
926 1 45 ASN H 1 46 ASN H . . 3.270 2.481 2.235 2.633 . 0 0 "[ . 1 . 2]" 1
927 1 45 ASN H 1 47 ARG H . . 4.840 4.189 3.957 4.523 . 0 0 "[ . 1 . 2]" 1
928 1 45 ASN HB2 1 46 ASN H . . 4.540 4.025 3.873 4.150 . 0 0 "[ . 1 . 2]" 1
929 1 45 ASN HB2 1 47 ARG H . . 4.890 4.177 3.924 4.351 . 0 0 "[ . 1 . 2]" 1
930 1 45 ASN HB3 1 46 ASN H . . 4.960 2.968 2.746 3.132 . 0 0 "[ . 1 . 2]" 1
931 1 45 ASN HB3 1 47 ARG H . . 5.390 2.557 2.227 2.970 . 0 0 "[ . 1 . 2]" 1
932 1 45 ASN HD21 1 47 ARG H . . 5.500 3.711 2.719 4.694 . 0 0 "[ . 1 . 2]" 1
933 1 45 ASN HD21 1 47 ARG HB2 . . 4.980 2.707 1.599 3.575 . 0 0 "[ . 1 . 2]" 1
934 1 45 ASN HD21 1 47 ARG HB3 . . 4.980 4.150 2.319 5.027 0.047 5 0 "[ . 1 . 2]" 1
935 1 45 ASN HD22 1 47 ARG H . . 5.500 4.361 3.824 5.097 . 0 0 "[ . 1 . 2]" 1
936 1 45 ASN HD22 1 47 ARG HB2 . . 4.830 2.730 2.178 3.475 . 0 0 "[ . 1 . 2]" 1
937 1 45 ASN HD22 1 47 ARG HB3 . . 4.830 3.934 2.946 4.646 . 0 0 "[ . 1 . 2]" 1
938 1 46 ASN H 1 46 ASN HB3 . . 3.980 3.691 3.554 4.052 0.072 12 0 "[ . 1 . 2]" 1
939 1 46 ASN H 1 47 ARG H . . 3.760 2.649 2.482 2.878 . 0 0 "[ . 1 . 2]" 1
940 1 46 ASN HA 1 46 ASN HD21 . . 4.620 3.983 2.841 4.496 . 0 0 "[ . 1 . 2]" 1
941 1 46 ASN HA 1 46 ASN HD22 . . 4.730 4.453 3.905 4.749 0.019 8 0 "[ . 1 . 2]" 1
942 1 46 ASN HA 1 47 ARG HA . . 5.500 4.458 4.368 4.602 . 0 0 "[ . 1 . 2]" 1
943 1 46 ASN HB2 1 47 ARG H . . 4.590 4.417 3.978 4.579 . 0 0 "[ . 1 . 2]" 1
944 1 46 ASN HB3 1 47 ARG H . . 5.080 3.908 3.500 4.405 . 0 0 "[ . 1 . 2]" 1
945 1 47 ARG H 1 47 ARG HB2 . . 3.130 2.588 2.458 2.849 . 0 0 "[ . 1 . 2]" 1
946 1 47 ARG H 1 47 ARG QD . . 4.490 4.211 3.929 4.376 . 0 0 "[ . 1 . 2]" 1
947 1 47 ARG H 1 47 ARG QG . . 3.530 2.877 2.371 3.765 0.235 13 0 "[ . 1 . 2]" 1
948 1 47 ARG H 1 48 GLN H . . 4.710 4.469 4.320 4.542 . 0 0 "[ . 1 . 2]" 1
949 1 47 ARG HA 1 47 ARG HD2 . . 5.500 4.594 4.300 4.664 . 0 0 "[ . 1 . 2]" 1
950 1 47 ARG HA 1 47 ARG HD3 . . 5.500 4.309 4.192 4.693 . 0 0 "[ . 1 . 2]" 1
951 1 47 ARG HA 1 47 ARG QG . . 3.600 2.419 2.335 2.537 . 0 0 "[ . 1 . 2]" 1
952 1 47 ARG HA 1 48 GLN H . . 3.190 2.232 2.087 2.309 . 0 0 "[ . 1 . 2]" 1
953 1 47 ARG HA 1 48 GLN HA . . 5.500 4.250 4.163 4.316 . 0 0 "[ . 1 . 2]" 1
954 1 47 ARG HA 1 48 GLN HB2 . . 5.500 4.505 4.126 5.529 0.029 18 0 "[ . 1 . 2]" 1
955 1 47 ARG HB2 1 47 ARG QD . . 3.640 2.370 2.279 2.430 . 0 0 "[ . 1 . 2]" 1
956 1 47 ARG HB2 1 48 GLN H . . 3.740 3.772 3.742 3.862 0.122 13 0 "[ . 1 . 2]" 1
957 1 47 ARG HB3 1 48 GLN H . . 3.740 2.738 2.541 3.849 0.109 13 0 "[ . 1 . 2]" 1
958 1 47 ARG HD2 1 48 GLN H . . 5.500 5.461 4.815 5.555 0.055 18 0 "[ . 1 . 2]" 1
959 1 47 ARG HD3 1 48 GLN H . . 5.500 4.833 4.526 5.111 . 0 0 "[ . 1 . 2]" 1
960 1 47 ARG QG 1 48 GLN H . . 4.100 3.682 2.174 4.074 . 0 0 "[ . 1 . 2]" 1
961 1 48 GLN H 1 48 GLN HB2 . . 3.710 3.146 2.894 3.746 0.036 18 0 "[ . 1 . 2]" 1
962 1 48 GLN H 1 48 GLN HB3 . . 3.600 2.352 2.117 2.829 . 0 0 "[ . 1 . 2]" 1
963 1 48 GLN H 1 48 GLN HG2 . . 4.530 3.777 2.454 4.157 . 0 0 "[ . 1 . 2]" 1
964 1 48 GLN H 1 48 GLN HG3 . . 4.300 4.328 3.620 4.469 0.169 13 0 "[ . 1 . 2]" 1
965 1 48 GLN H 1 49 VAL H . . 4.790 4.273 4.183 4.437 . 0 0 "[ . 1 . 2]" 1
966 1 48 GLN H 1 49 VAL MG1 . . 4.410 4.165 3.926 4.412 0.002 11 0 "[ . 1 . 2]" 1
967 1 48 GLN HA 1 49 VAL H . . 3.160 2.054 2.007 2.159 . 0 0 "[ . 1 . 2]" 1
968 1 48 GLN HA 1 49 VAL MG1 . . 5.430 3.787 3.688 3.890 . 0 0 "[ . 1 . 2]" 1
969 1 48 GLN HA 1 49 VAL MG2 . . 4.920 3.600 3.507 3.675 . 0 0 "[ . 1 . 2]" 1
970 1 48 GLN HB2 1 49 VAL H . . 4.640 3.854 2.913 4.083 . 0 0 "[ . 1 . 2]" 1
971 1 48 GLN HB3 1 49 VAL H . . 4.490 4.263 4.093 4.406 . 0 0 "[ . 1 . 2]" 1
972 1 48 GLN HG2 1 49 VAL H . . 5.140 3.718 3.211 4.545 . 0 0 "[ . 1 . 2]" 1
973 1 48 GLN HG2 1 50 CYS H . . 5.500 4.936 4.517 5.657 0.157 18 0 "[ . 1 . 2]" 1
974 1 48 GLN HG3 1 49 VAL H . . 4.180 2.994 2.522 3.776 . 0 0 "[ . 1 . 2]" 1
975 1 48 GLN HG3 1 50 CYS H . . 5.130 5.115 4.481 5.254 0.124 2 0 "[ . 1 . 2]" 1
976 1 49 VAL H 1 49 VAL MG1 . . 4.020 2.949 2.819 3.109 . 0 0 "[ . 1 . 2]" 1
977 1 49 VAL H 1 49 VAL MG2 . . 3.660 2.168 2.069 2.268 . 0 0 "[ . 1 . 2]" 1
978 1 49 VAL H 1 50 CYS H . . 4.410 4.317 4.265 4.353 . 0 0 "[ . 1 . 2]" 1
979 1 49 VAL HA 1 50 CYS H . . 3.360 2.160 2.103 2.246 . 0 0 "[ . 1 . 2]" 1
980 1 49 VAL HB 1 50 CYS H . . 3.620 2.894 2.743 3.003 . 0 0 "[ . 1 . 2]" 1
981 1 49 VAL HB 1 50 CYS HB2 . . 5.500 4.617 4.423 4.785 . 0 0 "[ . 1 . 2]" 1
982 1 49 VAL MG1 1 50 CYS H . . 4.290 3.790 3.725 3.853 . 0 0 "[ . 1 . 2]" 1
983 1 49 VAL MG2 1 51 ILE H . . 5.500 4.713 4.353 4.934 . 0 0 "[ . 1 . 2]" 1
984 1 50 CYS H 1 50 CYS HB2 . . 3.940 2.414 2.334 2.503 . 0 0 "[ . 1 . 2]" 1
985 1 50 CYS H 1 51 ILE H . . 5.480 4.555 4.494 4.580 . 0 0 "[ . 1 . 2]" 1
986 1 50 CYS HA 1 51 ILE H . . 3.520 2.169 2.097 2.212 . 0 0 "[ . 1 . 2]" 1
987 1 50 CYS HA 1 51 ILE HB . . 5.500 5.003 4.844 5.529 0.029 13 0 "[ . 1 . 2]" 1
988 1 50 CYS HA 1 51 ILE HG12 . . 5.500 4.368 3.446 4.814 . 0 0 "[ . 1 . 2]" 1
989 1 50 CYS HA 1 51 ILE HG13 . . 5.500 3.556 3.262 4.016 . 0 0 "[ . 1 . 2]" 1
990 1 50 CYS HB2 1 51 ILE H . . 4.980 4.089 3.937 4.256 . 0 0 "[ . 1 . 2]" 1
991 1 50 CYS HB3 1 51 ILE H . . 4.490 3.140 2.852 3.435 . 0 0 "[ . 1 . 2]" 1
992 1 51 ILE H 1 51 ILE HB . . 3.790 2.905 2.756 3.524 . 0 0 "[ . 1 . 2]" 1
993 1 51 ILE H 1 51 ILE MD . . 4.180 3.753 3.630 3.830 . 0 0 "[ . 1 . 2]" 1
994 1 51 ILE H 1 51 ILE HG12 . . 4.370 3.226 2.338 3.451 . 0 0 "[ . 1 . 2]" 1
995 1 51 ILE H 1 51 ILE HG13 . . 4.120 2.225 2.091 2.344 . 0 0 "[ . 1 . 2]" 1
996 1 51 ILE H 1 52 ASP H . . 5.160 4.466 4.418 4.535 . 0 0 "[ . 1 . 2]" 1
997 1 51 ILE HA 1 51 ILE MD . . 4.500 3.940 3.888 4.134 . 0 0 "[ . 1 . 2]" 1
998 1 51 ILE HA 1 52 ASP H . . 3.150 2.167 2.099 2.223 . 0 0 "[ . 1 . 2]" 1
999 1 51 ILE HA 1 52 ASP HB2 . . 5.500 4.446 4.194 4.647 . 0 0 "[ . 1 . 2]" 1
1000 1 51 ILE HA 1 52 ASP HB3 . . 5.500 4.628 4.411 4.862 . 0 0 "[ . 1 . 2]" 1
1001 1 51 ILE HA 1 55 LEU MD1 . . 5.500 4.153 3.919 4.282 . 0 0 "[ . 1 . 2]" 1
1002 1 51 ILE HB 1 52 ASP H . . 4.390 3.575 2.784 3.785 . 0 0 "[ . 1 . 2]" 1
1003 1 51 ILE HB 1 58 ILE MD . . 5.200 3.109 2.864 3.403 . 0 0 "[ . 1 . 2]" 1
1004 1 51 ILE HB 1 58 ILE HG12 . . 5.210 4.912 4.510 5.143 . 0 0 "[ . 1 . 2]" 1
1005 1 51 ILE HB 1 58 ILE HG13 . . 5.500 3.548 3.282 3.739 . 0 0 "[ . 1 . 2]" 1
1006 1 51 ILE HB 1 58 ILE MG . . 5.000 4.154 3.963 4.536 . 0 0 "[ . 1 . 2]" 1
1007 1 51 ILE MD 1 51 ILE MG . . 2.490 1.913 1.849 1.963 . 0 0 "[ . 1 . 2]" 1
1008 1 51 ILE MD 1 57 TRP HH2 . . 3.240 2.637 2.120 3.086 . 0 0 "[ . 1 . 2]" 1
1009 1 51 ILE MD 1 57 TRP HZ2 . . 4.530 2.982 2.746 3.314 . 0 0 "[ . 1 . 2]" 1
1010 1 51 ILE HG12 1 51 ILE MG . . 3.670 2.357 2.302 2.430 . 0 0 "[ . 1 . 2]" 1
1011 1 51 ILE HG12 1 58 ILE MD . . 5.470 4.042 3.867 4.282 . 0 0 "[ . 1 . 2]" 1
1012 1 51 ILE HG13 1 58 ILE MD . . 5.500 3.998 3.598 4.134 . 0 0 "[ . 1 . 2]" 1
1013 1 51 ILE MG 1 52 ASP H . . 3.640 2.314 2.163 2.794 . 0 0 "[ . 1 . 2]" 1
1014 1 51 ILE MG 1 55 LEU H . . 5.500 4.431 4.006 5.574 0.074 13 0 "[ . 1 . 2]" 1
1015 1 51 ILE MG 1 57 TRP HH2 . . 5.500 3.891 3.484 4.284 . 0 0 "[ . 1 . 2]" 1
1016 1 51 ILE MG 1 57 TRP HZ2 . . 3.230 3.112 2.728 3.269 0.039 13 0 "[ . 1 . 2]" 1
1017 1 51 ILE MG 1 58 ILE MD . . 4.010 2.258 1.925 3.354 . 0 0 "[ . 1 . 2]" 1
1018 1 51 ILE MG 1 58 ILE HG13 . . 4.700 2.643 2.292 4.153 . 0 0 "[ . 1 . 2]" 1
1019 1 52 ASP H 1 52 ASP HB2 . . 3.460 2.593 2.501 2.710 . 0 0 "[ . 1 . 2]" 1
1020 1 52 ASP H 1 52 ASP HB3 . . 3.470 2.479 2.306 2.644 . 0 0 "[ . 1 . 2]" 1
1021 1 52 ASP H 1 53 PRO HD2 . . 5.360 4.910 4.815 5.033 . 0 0 "[ . 1 . 2]" 1
1022 1 52 ASP H 1 55 LEU MD1 . . 4.610 3.489 3.183 3.691 . 0 0 "[ . 1 . 2]" 1
1023 1 52 ASP H 1 55 LEU MD2 . . 4.900 4.847 4.554 4.930 0.030 10 0 "[ . 1 . 2]" 1
1024 1 52 ASP H 1 55 LEU HG . . 4.530 3.935 3.678 4.060 . 0 0 "[ . 1 . 2]" 1
1025 1 52 ASP H 1 58 ILE MD . . 5.500 5.397 5.128 5.565 0.065 13 0 "[ . 1 . 2]" 1
1026 1 52 ASP H 1 58 ILE HG13 . . 5.500 5.101 4.740 5.312 . 0 0 "[ . 1 . 2]" 1
1027 1 52 ASP HA 1 54 LYS H . . 4.310 3.914 3.833 3.983 . 0 0 "[ . 1 . 2]" 1
1028 1 52 ASP HB2 1 53 PRO HD2 . . 5.500 4.005 3.831 4.167 . 0 0 "[ . 1 . 2]" 1
1029 1 52 ASP HB2 1 54 LYS H . . 5.280 4.504 4.300 4.766 . 0 0 "[ . 1 . 2]" 1
1030 1 52 ASP HB2 1 55 LEU H . . 5.500 5.509 5.152 5.574 0.074 14 0 "[ . 1 . 2]" 1
1031 1 52 ASP HB2 1 55 LEU HG . . 4.900 4.704 4.042 4.921 0.021 14 0 "[ . 1 . 2]" 1
1032 1 52 ASP HB3 1 54 LYS H . . 5.050 3.467 2.992 4.235 . 0 0 "[ . 1 . 2]" 1
1033 1 52 ASP HB3 1 55 LEU H . . 4.580 3.936 3.814 4.114 . 0 0 "[ . 1 . 2]" 1
1034 1 52 ASP HB3 1 55 LEU MD1 . . 4.790 3.763 2.923 4.232 . 0 0 "[ . 1 . 2]" 1
1035 1 52 ASP HB3 1 55 LEU HG . . 4.610 3.022 2.312 3.363 . 0 0 "[ . 1 . 2]" 1
1036 1 53 PRO HA 1 55 LEU H . . 5.500 3.532 3.399 3.872 . 0 0 "[ . 1 . 2]" 1
1037 1 53 PRO HA 1 58 ILE MD . . 4.880 4.525 4.310 4.691 . 0 0 "[ . 1 . 2]" 1
1038 1 53 PRO HA 1 58 ILE HG12 . . 5.500 5.334 5.105 5.517 0.017 17 0 "[ . 1 . 2]" 1
1039 1 53 PRO HA 1 58 ILE HG13 . . 5.500 3.811 3.583 3.992 . 0 0 "[ . 1 . 2]" 1
1040 1 53 PRO HA 1 58 ILE MG . . 4.120 2.558 2.338 2.759 . 0 0 "[ . 1 . 2]" 1
1041 1 53 PRO HB2 1 54 LYS HA . . 5.500 4.269 3.987 4.511 . 0 0 "[ . 1 . 2]" 1
1042 1 53 PRO HB2 1 59 GLN HE21 . . 5.400 4.967 4.312 5.449 0.049 7 0 "[ . 1 . 2]" 1
1043 1 53 PRO HB2 1 59 GLN HE22 . . 5.500 5.486 4.920 5.577 0.077 17 0 "[ . 1 . 2]" 1
1044 1 53 PRO HD2 1 54 LYS H . . 4.310 3.225 2.784 3.462 . 0 0 "[ . 1 . 2]" 1
1045 1 53 PRO HD3 1 54 LYS H . . 5.500 4.223 3.971 4.370 . 0 0 "[ . 1 . 2]" 1
1046 1 54 LYS H 1 54 LYS QB . . 3.250 2.510 2.015 3.149 . 0 0 "[ . 1 . 2]" 1
1047 1 54 LYS H 1 54 LYS QE . . 5.430 4.193 2.973 4.941 . 0 0 "[ . 1 . 2]" 1
1048 1 54 LYS H 1 54 LYS QG . . 3.420 2.561 2.148 3.698 0.278 9 0 "[ . 1 . 2]" 1
1049 1 54 LYS H 1 55 LEU H . . 3.360 2.409 2.314 2.647 . 0 0 "[ . 1 . 2]" 1
1050 1 54 LYS H 1 55 LEU HB2 . . 5.500 4.750 4.641 4.949 . 0 0 "[ . 1 . 2]" 1
1051 1 54 LYS H 1 55 LEU HG . . 5.110 3.943 3.774 4.175 . 0 0 "[ . 1 . 2]" 1
1052 1 54 LYS H 1 58 ILE MG . . 5.500 5.177 4.876 5.346 . 0 0 "[ . 1 . 2]" 1
1053 1 54 LYS HA 1 54 LYS QD . . 4.560 3.319 1.978 4.570 0.010 5 0 "[ . 1 . 2]" 1
1054 1 54 LYS HA 1 54 LYS QE . . 5.500 3.898 1.777 5.264 . 0 0 "[ . 1 . 2]" 1
1055 1 54 LYS HA 1 54 LYS QG . . 3.920 2.847 2.292 3.551 . 0 0 "[ . 1 . 2]" 1
1056 1 54 LYS HA 1 59 GLN HE21 . . 5.500 4.816 3.192 5.602 0.102 9 0 "[ . 1 . 2]" 1
1057 1 54 LYS HA 1 59 GLN HE22 . . 5.470 4.394 3.101 5.323 . 0 0 "[ . 1 . 2]" 1
1058 1 54 LYS QB 1 54 LYS QD . . 2.660 2.361 2.101 2.718 0.058 20 0 "[ . 1 . 2]" 1
1059 1 54 LYS QB 1 54 LYS QE . . 3.670 2.948 1.931 3.791 0.121 6 0 "[ . 1 . 2]" 1
1060 1 54 LYS QB 1 55 LEU H . . 5.420 3.323 2.919 3.969 . 0 0 "[ . 1 . 2]" 1
1061 1 55 LEU H 1 55 LEU HB2 . . 3.600 2.518 2.481 2.553 . 0 0 "[ . 1 . 2]" 1
1062 1 55 LEU H 1 55 LEU MD1 . . 4.740 3.739 3.607 3.832 . 0 0 "[ . 1 . 2]" 1
1063 1 55 LEU H 1 55 LEU MD2 . . 3.470 3.259 3.126 3.401 . 0 0 "[ . 1 . 2]" 1
1064 1 55 LEU H 1 55 LEU HG . . 3.290 2.381 2.228 2.543 . 0 0 "[ . 1 . 2]" 1
1065 1 55 LEU H 1 56 LYS H . . 4.780 4.471 4.328 4.537 . 0 0 "[ . 1 . 2]" 1
1066 1 55 LEU H 1 58 ILE H . . 5.320 5.063 4.975 5.173 . 0 0 "[ . 1 . 2]" 1
1067 1 55 LEU H 1 58 ILE HB . . 5.500 3.906 3.763 4.045 . 0 0 "[ . 1 . 2]" 1
1068 1 55 LEU H 1 58 ILE HG12 . . 5.500 4.793 4.606 4.968 . 0 0 "[ . 1 . 2]" 1
1069 1 55 LEU H 1 58 ILE HG13 . . 5.500 3.982 3.767 4.135 . 0 0 "[ . 1 . 2]" 1
1070 1 55 LEU H 1 58 ILE MG . . 4.370 4.320 4.152 4.410 0.040 13 0 "[ . 1 . 2]" 1
1071 1 55 LEU HA 1 55 LEU MD2 . . 3.610 2.018 1.970 2.087 . 0 0 "[ . 1 . 2]" 1
1072 1 55 LEU HA 1 56 LYS H . . 3.090 2.054 1.978 2.112 . 0 0 "[ . 1 . 2]" 1
1073 1 55 LEU HA 1 56 LYS HA . . 4.600 4.258 4.207 4.323 . 0 0 "[ . 1 . 2]" 1
1074 1 55 LEU HA 1 56 LYS QB . . 5.050 3.903 3.767 4.013 . 0 0 "[ . 1 . 2]" 1
1075 1 55 LEU HA 1 57 TRP H . . 4.990 3.917 3.725 4.059 . 0 0 "[ . 1 . 2]" 1
1076 1 55 LEU HA 1 58 ILE H . . 5.390 4.507 4.392 4.615 . 0 0 "[ . 1 . 2]" 1
1077 1 55 LEU HA 1 58 ILE HB . . 5.500 4.682 4.600 4.810 . 0 0 "[ . 1 . 2]" 1
1078 1 55 LEU HA 1 58 ILE HG13 . . 5.500 5.268 5.108 5.429 . 0 0 "[ . 1 . 2]" 1
1079 1 55 LEU HB2 1 55 LEU MD1 . . 2.400 2.350 2.289 2.384 . 0 0 "[ . 1 . 2]" 1
1080 1 55 LEU HB2 1 55 LEU MD2 . . 3.150 3.184 3.174 3.194 0.044 14 0 "[ . 1 . 2]" 1
1081 1 55 LEU HB2 1 56 LYS H . . 4.140 4.149 4.094 4.195 0.055 13 0 "[ . 1 . 2]" 1
1082 1 55 LEU HB2 1 57 TRP H . . 4.420 4.286 4.179 4.421 0.001 3 0 "[ . 1 . 2]" 1
1083 1 55 LEU HB2 1 57 TRP HD1 . . 5.380 4.772 4.558 4.973 . 0 0 "[ . 1 . 2]" 1
1084 1 55 LEU HB2 1 57 TRP HE1 . . 5.500 4.358 4.142 4.611 . 0 0 "[ . 1 . 2]" 1
1085 1 55 LEU HB2 1 58 ILE H . . 5.450 3.152 3.033 3.260 . 0 0 "[ . 1 . 2]" 1
1086 1 55 LEU HB2 1 58 ILE HB . . 5.270 2.590 2.354 2.785 . 0 0 "[ . 1 . 2]" 1
1087 1 55 LEU HB2 1 58 ILE MD . . 5.500 3.734 3.556 3.895 . 0 0 "[ . 1 . 2]" 1
1088 1 55 LEU HB2 1 58 ILE HG12 . . 5.320 2.417 2.212 2.599 . 0 0 "[ . 1 . 2]" 1
1089 1 55 LEU HB2 1 58 ILE HG13 . . 5.380 2.281 2.121 2.477 . 0 0 "[ . 1 . 2]" 1
1090 1 55 LEU HB2 1 58 ILE MG . . 5.100 3.695 3.588 3.872 . 0 0 "[ . 1 . 2]" 1
1091 1 55 LEU HB3 1 55 LEU MD2 . . 3.310 2.388 2.347 2.431 . 0 0 "[ . 1 . 2]" 1
1092 1 55 LEU HB3 1 56 LYS H . . 4.840 3.219 3.065 3.430 . 0 0 "[ . 1 . 2]" 1
1093 1 55 LEU HB3 1 57 TRP H . . 5.100 3.096 3.000 3.250 . 0 0 "[ . 1 . 2]" 1
1094 1 55 LEU HB3 1 57 TRP HD1 . . 5.500 3.148 2.933 3.324 . 0 0 "[ . 1 . 2]" 1
1095 1 55 LEU HB3 1 57 TRP HE1 . . 5.500 3.294 2.968 3.620 . 0 0 "[ . 1 . 2]" 1
1096 1 55 LEU HB3 1 58 ILE H . . 5.300 3.026 2.832 3.276 . 0 0 "[ . 1 . 2]" 1
1097 1 55 LEU HB3 1 58 ILE MD . . 5.380 4.472 4.242 4.683 . 0 0 "[ . 1 . 2]" 1
1098 1 55 LEU HB3 1 58 ILE HG12 . . 4.850 3.000 2.749 3.223 . 0 0 "[ . 1 . 2]" 1
1099 1 55 LEU HB3 1 58 ILE HG13 . . 5.270 3.694 3.566 3.958 . 0 0 "[ . 1 . 2]" 1
1100 1 55 LEU MD1 1 56 LYS H . . 5.500 4.929 4.770 5.129 . 0 0 "[ . 1 . 2]" 1
1101 1 55 LEU MD1 1 57 TRP H . . 5.500 4.745 4.590 4.984 . 0 0 "[ . 1 . 2]" 1
1102 1 55 LEU MD1 1 57 TRP HE1 . . 4.210 1.950 1.799 2.198 . 0 0 "[ . 1 . 2]" 1
1103 1 55 LEU MD1 1 57 TRP HH2 . . 5.500 4.631 4.378 4.810 . 0 0 "[ . 1 . 2]" 1
1104 1 55 LEU MD1 1 57 TRP HZ2 . . 3.520 3.037 2.728 3.250 . 0 0 "[ . 1 . 2]" 1
1105 1 55 LEU MD1 1 58 ILE H . . 5.500 4.299 4.076 4.505 . 0 0 "[ . 1 . 2]" 1
1106 1 55 LEU MD1 1 58 ILE MD . . 4.710 3.227 2.933 3.470 . 0 0 "[ . 1 . 2]" 1
1107 1 55 LEU MD2 1 56 LYS H . . 4.640 3.470 3.324 3.663 . 0 0 "[ . 1 . 2]" 1
1108 1 55 LEU MD2 1 57 TRP H . . 5.500 4.349 4.170 4.539 . 0 0 "[ . 1 . 2]" 1
1109 1 55 LEU MD2 1 57 TRP HE1 . . 4.620 3.350 2.844 3.690 . 0 0 "[ . 1 . 2]" 1
1110 1 55 LEU MD2 1 57 TRP HZ2 . . 5.500 5.242 4.753 5.462 . 0 0 "[ . 1 . 2]" 1
1111 1 55 LEU MD2 1 58 ILE H . . 5.500 4.921 4.745 5.145 . 0 0 "[ . 1 . 2]" 1
1112 1 55 LEU HG 1 56 LYS H . . 5.500 5.075 5.006 5.176 . 0 0 "[ . 1 . 2]" 1
1113 1 56 LYS H 1 56 LYS QB . . 3.200 2.200 2.150 2.245 . 0 0 "[ . 1 . 2]" 1
1114 1 56 LYS H 1 56 LYS QD . . 4.650 4.417 4.179 4.661 0.011 9 0 "[ . 1 . 2]" 1
1115 1 56 LYS H 1 56 LYS HG2 . . 4.590 4.441 4.122 4.613 0.023 2 0 "[ . 1 . 2]" 1
1116 1 56 LYS H 1 56 LYS HG3 . . 4.580 4.548 4.423 4.595 0.015 9 0 "[ . 1 . 2]" 1
1117 1 56 LYS H 1 57 TRP H . . 4.100 2.618 2.527 2.735 . 0 0 "[ . 1 . 2]" 1
1118 1 56 LYS H 1 58 ILE H . . 5.500 4.071 3.978 4.158 . 0 0 "[ . 1 . 2]" 1
1119 1 56 LYS HA 1 56 LYS QD . . 4.700 3.143 2.153 3.431 . 0 0 "[ . 1 . 2]" 1
1120 1 56 LYS HA 1 56 LYS QE . . 5.500 4.363 2.799 4.924 . 0 0 "[ . 1 . 2]" 1
1121 1 56 LYS HA 1 58 ILE H . . 5.180 4.047 3.796 4.264 . 0 0 "[ . 1 . 2]" 1
1122 1 56 LYS HA 1 59 GLN H . . 4.600 3.566 3.357 3.742 . 0 0 "[ . 1 . 2]" 1
1123 1 56 LYS HA 1 59 GLN QB . . 4.310 4.315 4.185 4.424 0.114 1 0 "[ . 1 . 2]" 1
1124 1 56 LYS HA 1 59 GLN HG2 . . 5.080 2.333 2.185 2.579 . 0 0 "[ . 1 . 2]" 1
1125 1 56 LYS HA 1 59 GLN HG3 . . 5.170 3.337 2.952 3.848 . 0 0 "[ . 1 . 2]" 1
1126 1 56 LYS HA 1 60 GLU H . . 4.760 4.189 3.913 4.465 . 0 0 "[ . 1 . 2]" 1
1127 1 56 LYS QB 1 57 TRP H . . 3.720 2.783 2.578 2.917 . 0 0 "[ . 1 . 2]" 1
1128 1 56 LYS QB 1 57 TRP HD1 . . 5.500 4.798 4.502 5.111 . 0 0 "[ . 1 . 2]" 1
1129 1 56 LYS QB 1 58 ILE H . . 5.500 4.698 4.576 4.808 . 0 0 "[ . 1 . 2]" 1
1130 1 56 LYS QD 1 57 TRP H . . 5.120 3.747 3.310 4.748 . 0 0 "[ . 1 . 2]" 1
1131 1 56 LYS QD 1 58 ILE H . . 5.480 4.964 4.742 5.270 . 0 0 "[ . 1 . 2]" 1
1132 1 56 LYS QD 1 60 GLU H . . 5.500 3.779 3.261 4.425 . 0 0 "[ . 1 . 2]" 1
1133 1 56 LYS HG2 1 60 GLU H . . 5.500 5.176 4.726 5.593 0.093 2 0 "[ . 1 . 2]" 1
1134 1 56 LYS HG3 1 57 TRP H . . 5.310 5.094 3.789 5.317 0.007 19 0 "[ . 1 . 2]" 1
1135 1 57 TRP H 1 57 TRP HB2 . . 4.100 3.693 3.662 3.713 . 0 0 "[ . 1 . 2]" 1
1136 1 57 TRP H 1 57 TRP HB3 . . 3.810 2.631 2.597 2.713 . 0 0 "[ . 1 . 2]" 1
1137 1 57 TRP H 1 57 TRP HE1 . . 5.500 4.880 4.673 4.972 . 0 0 "[ . 1 . 2]" 1
1138 1 57 TRP H 1 58 ILE H . . 3.860 2.564 2.482 2.630 . 0 0 "[ . 1 . 2]" 1
1139 1 57 TRP H 1 58 ILE HB . . 5.430 4.482 4.343 4.573 . 0 0 "[ . 1 . 2]" 1
1140 1 57 TRP H 1 59 GLN H . . 4.920 4.467 4.384 4.559 . 0 0 "[ . 1 . 2]" 1
1141 1 57 TRP H 1 60 GLU HB3 . . 5.330 5.005 4.756 5.260 . 0 0 "[ . 1 . 2]" 1
1142 1 57 TRP HA 1 59 GLN H . . 5.500 4.523 4.467 4.566 . 0 0 "[ . 1 . 2]" 1
1143 1 57 TRP HA 1 60 GLU H . . 4.510 3.475 3.326 3.695 . 0 0 "[ . 1 . 2]" 1
1144 1 57 TRP HA 1 60 GLU HB2 . . 4.740 3.757 3.415 4.089 . 0 0 "[ . 1 . 2]" 1
1145 1 57 TRP HA 1 60 GLU HB3 . . 4.300 2.549 2.245 2.962 . 0 0 "[ . 1 . 2]" 1
1146 1 57 TRP HA 1 60 GLU HG2 . . 5.500 4.600 3.786 5.235 . 0 0 "[ . 1 . 2]" 1
1147 1 57 TRP HA 1 60 GLU HG3 . . 5.500 5.181 4.212 5.561 0.061 1 0 "[ . 1 . 2]" 1
1148 1 57 TRP HB2 1 58 ILE H . . 5.500 4.054 4.000 4.143 . 0 0 "[ . 1 . 2]" 1
1149 1 57 TRP HB3 1 57 TRP HD1 . . 3.190 2.655 2.640 2.671 . 0 0 "[ . 1 . 2]" 1
1150 1 57 TRP HB3 1 58 ILE H . . 5.180 4.074 3.998 4.177 . 0 0 "[ . 1 . 2]" 1
1151 1 57 TRP HB3 1 60 GLU HB3 . . 5.500 4.981 4.703 5.384 . 0 0 "[ . 1 . 2]" 1
1152 1 57 TRP HD1 1 58 ILE HG12 . . 4.990 4.702 4.549 4.864 . 0 0 "[ . 1 . 2]" 1
1153 1 57 TRP HE1 1 58 ILE MD . . 5.500 4.581 4.485 4.759 . 0 0 "[ . 1 . 2]" 1
1154 1 57 TRP HE3 1 58 ILE H . . 5.470 3.904 3.849 3.944 . 0 0 "[ . 1 . 2]" 1
1155 1 57 TRP HE3 1 58 ILE MD . . 4.200 3.502 3.331 3.586 . 0 0 "[ . 1 . 2]" 1
1156 1 57 TRP HE3 1 58 ILE HG12 . . 5.500 4.089 3.968 4.176 . 0 0 "[ . 1 . 2]" 1
1157 1 57 TRP HE3 1 61 TYR HB2 . . 5.500 3.410 2.893 3.798 . 0 0 "[ . 1 . 2]" 1
1158 1 57 TRP HE3 1 61 TYR HB3 . . 5.500 3.165 2.738 3.472 . 0 0 "[ . 1 . 2]" 1
1159 1 57 TRP HH2 1 58 ILE MD . . 3.950 2.549 2.476 2.580 . 0 0 "[ . 1 . 2]" 1
1160 1 57 TRP HH2 1 58 ILE HG13 . . 4.830 4.931 4.907 4.968 0.138 17 0 "[ . 1 . 2]" 1
1161 1 57 TRP HH2 1 58 ILE MG . . 5.500 5.316 5.230 5.405 . 0 0 "[ . 1 . 2]" 1
1162 1 57 TRP HZ2 1 58 ILE MD . . 4.270 3.082 2.951 3.305 . 0 0 "[ . 1 . 2]" 1
1163 1 57 TRP HZ2 1 58 ILE HG13 . . 5.010 4.558 4.415 4.765 . 0 0 "[ . 1 . 2]" 1
1164 1 57 TRP HZ3 1 58 ILE HA . . 3.350 3.383 3.362 3.407 0.057 13 0 "[ . 1 . 2]" 1
1165 1 57 TRP HZ3 1 58 ILE MD . . 4.350 2.664 2.511 2.747 . 0 0 "[ . 1 . 2]" 1
1166 1 57 TRP HZ3 1 58 ILE HG12 . . 4.360 4.323 4.218 4.379 0.019 17 0 "[ . 1 . 2]" 1
1167 1 57 TRP HZ3 1 58 ILE HG13 . . 5.500 5.491 5.334 5.542 0.042 18 0 "[ . 1 . 2]" 1
1168 1 57 TRP HZ3 1 61 TYR HB2 . . 5.500 4.702 4.072 5.289 . 0 0 "[ . 1 . 2]" 1
1169 1 57 TRP HZ3 1 61 TYR HB3 . . 5.500 3.890 3.542 4.202 . 0 0 "[ . 1 . 2]" 1
1170 1 58 ILE H 1 58 ILE HB . . 3.450 2.234 2.198 2.283 . 0 0 "[ . 1 . 2]" 1
1171 1 58 ILE H 1 58 ILE MD . . 4.570 3.708 3.651 3.766 . 0 0 "[ . 1 . 2]" 1
1172 1 58 ILE H 1 58 ILE HG12 . . 3.700 2.559 2.472 2.613 . 0 0 "[ . 1 . 2]" 1
1173 1 58 ILE H 1 58 ILE HG13 . . 4.120 3.736 3.671 3.776 . 0 0 "[ . 1 . 2]" 1
1174 1 58 ILE H 1 58 ILE MG . . 4.730 3.657 3.628 3.697 . 0 0 "[ . 1 . 2]" 1
1175 1 58 ILE H 1 59 GLN H . . 3.560 2.698 2.589 2.766 . 0 0 "[ . 1 . 2]" 1
1176 1 58 ILE H 1 60 GLU H . . 4.930 3.907 3.826 3.962 . 0 0 "[ . 1 . 2]" 1
1177 1 58 ILE HA 1 58 ILE MD . . 4.120 1.969 1.929 2.025 . 0 0 "[ . 1 . 2]" 1
1178 1 58 ILE HA 1 60 GLU H . . 5.020 4.443 4.327 4.592 . 0 0 "[ . 1 . 2]" 1
1179 1 58 ILE HA 1 61 TYR H . . 5.090 3.876 3.669 4.090 . 0 0 "[ . 1 . 2]" 1
1180 1 58 ILE HA 1 61 TYR HB2 . . 4.860 4.506 3.764 4.873 0.013 2 0 "[ . 1 . 2]" 1
1181 1 58 ILE HA 1 61 TYR HB3 . . 4.610 3.161 2.610 3.384 . 0 0 "[ . 1 . 2]" 1
1182 1 58 ILE HA 1 61 TYR QD . . 3.800 3.857 3.802 3.947 0.147 13 0 "[ . 1 . 2]" 1
1183 1 58 ILE HA 1 62 LEU H . . 4.850 3.576 3.370 3.749 . 0 0 "[ . 1 . 2]" 1
1184 1 58 ILE HA 1 62 LEU HB2 . . 5.500 3.919 3.456 4.346 . 0 0 "[ . 1 . 2]" 1
1185 1 58 ILE HA 1 62 LEU MD2 . . 5.500 3.588 2.224 5.504 0.004 16 0 "[ . 1 . 2]" 1
1186 1 58 ILE HB 1 59 GLN H . . 4.230 2.413 2.352 2.478 . 0 0 "[ . 1 . 2]" 1
1187 1 58 ILE HB 1 60 GLU H . . 5.500 4.689 4.600 4.763 . 0 0 "[ . 1 . 2]" 1
1188 1 58 ILE MD 1 58 ILE MG . . 3.400 1.915 1.882 1.974 . 0 0 "[ . 1 . 2]" 1
1189 1 58 ILE MD 1 59 GLN H . . 5.500 4.562 4.535 4.584 . 0 0 "[ . 1 . 2]" 1
1190 1 58 ILE MD 1 61 TYR HB3 . . 5.270 4.269 3.841 4.500 . 0 0 "[ . 1 . 2]" 1
1191 1 58 ILE MD 1 61 TYR QD . . 4.140 3.959 3.872 4.176 0.036 13 0 "[ . 1 . 2]" 1
1192 1 58 ILE MD 1 62 LEU H . . 5.500 4.499 4.318 4.663 . 0 0 "[ . 1 . 2]" 1
1193 1 58 ILE MD 1 62 LEU HG . . 5.450 4.037 3.376 4.763 . 0 0 "[ . 1 . 2]" 1
1194 1 58 ILE HG13 1 58 ILE MG . . 3.530 2.442 2.389 2.474 . 0 0 "[ . 1 . 2]" 1
1195 1 58 ILE HG13 1 59 GLN H . . 5.500 4.812 4.748 4.876 . 0 0 "[ . 1 . 2]" 1
1196 1 58 ILE MG 1 59 GLN H . . 4.330 2.686 2.611 2.739 . 0 0 "[ . 1 . 2]" 1
1197 1 58 ILE MG 1 59 GLN HA . . 4.890 2.727 2.628 2.809 . 0 0 "[ . 1 . 2]" 1
1198 1 58 ILE MG 1 59 GLN QB . . 5.500 3.030 2.913 3.141 . 0 0 "[ . 1 . 2]" 1
1199 1 58 ILE MG 1 60 GLU H . . 5.450 4.497 4.431 4.579 . 0 0 "[ . 1 . 2]" 1
1200 1 58 ILE MG 1 61 TYR HB3 . . 5.500 4.722 4.184 5.043 . 0 0 "[ . 1 . 2]" 1
1201 1 58 ILE MG 1 62 LEU HB2 . . 4.370 3.133 2.767 3.520 . 0 0 "[ . 1 . 2]" 1
1202 1 58 ILE MG 1 62 LEU HB3 . . 5.500 3.863 3.403 4.314 . 0 0 "[ . 1 . 2]" 1
1203 1 59 GLN H 1 59 GLN QB . . 3.580 2.611 2.482 2.719 . 0 0 "[ . 1 . 2]" 1
1204 1 59 GLN H 1 59 GLN HG2 . . 4.620 1.937 1.794 2.109 . 0 0 "[ . 1 . 2]" 1
1205 1 59 GLN H 1 59 GLN HG3 . . 4.150 3.189 2.927 3.530 . 0 0 "[ . 1 . 2]" 1
1206 1 59 GLN H 1 60 GLU H . . 3.660 2.492 2.435 2.541 . 0 0 "[ . 1 . 2]" 1
1207 1 59 GLN H 1 61 TYR H . . 3.960 3.901 3.770 3.948 . 0 0 "[ . 1 . 2]" 1
1208 1 59 GLN HA 1 59 GLN HE21 . . 5.160 4.027 3.990 4.101 . 0 0 "[ . 1 . 2]" 1
1209 1 59 GLN HA 1 59 GLN HE22 . . 5.500 5.599 5.579 5.623 0.123 8 0 "[ . 1 . 2]" 1
1210 1 59 GLN HA 1 61 TYR H . . 5.010 3.618 3.446 3.778 . 0 0 "[ . 1 . 2]" 1
1211 1 59 GLN HA 1 62 LEU H . . 3.970 3.764 3.635 3.968 . 0 0 "[ . 1 . 2]" 1
1212 1 59 GLN HA 1 62 LEU HB2 . . 4.390 3.890 3.338 4.506 0.116 1 0 "[ . 1 . 2]" 1
1213 1 59 GLN HA 1 62 LEU HB3 . . 4.570 4.401 3.607 4.712 0.142 18 0 "[ . 1 . 2]" 1
1214 1 59 GLN HA 1 63 GLU H . . 4.660 2.903 2.630 3.172 . 0 0 "[ . 1 . 2]" 1
1215 1 59 GLN QB 1 60 GLU H . . 4.370 3.546 3.491 3.599 . 0 0 "[ . 1 . 2]" 1
1216 1 59 GLN QB 1 60 GLU HA . . 5.500 4.358 4.174 4.509 . 0 0 "[ . 1 . 2]" 1
1217 1 59 GLN HG2 1 60 GLU H . . 3.700 2.847 2.540 3.112 . 0 0 "[ . 1 . 2]" 1
1218 1 59 GLN HG2 1 60 GLU HA . . 5.500 4.965 4.508 5.371 . 0 0 "[ . 1 . 2]" 1
1219 1 59 GLN HG2 1 61 TYR H . . 5.500 5.024 4.829 5.211 . 0 0 "[ . 1 . 2]" 1
1220 1 59 GLN HG3 1 60 GLU H . . 5.500 2.763 2.571 3.123 . 0 0 "[ . 1 . 2]" 1
1221 1 59 GLN HG3 1 60 GLU HA . . 5.500 3.813 3.512 4.076 . 0 0 "[ . 1 . 2]" 1
1222 1 60 GLU H 1 60 GLU HB3 . . 4.160 2.402 2.256 2.572 . 0 0 "[ . 1 . 2]" 1
1223 1 60 GLU H 1 60 GLU HG2 . . 4.590 4.430 4.328 4.590 0.000 6 0 "[ . 1 . 2]" 1
1224 1 60 GLU H 1 60 GLU QG . . 4.000 3.973 3.921 4.040 0.040 7 0 "[ . 1 . 2]" 1
1225 1 60 GLU H 1 60 GLU HG3 . . 4.590 4.495 4.383 4.561 . 0 0 "[ . 1 . 2]" 1
1226 1 60 GLU H 1 61 TYR H . . 2.740 2.489 2.429 2.554 . 0 0 "[ . 1 . 2]" 1
1227 1 60 GLU H 1 61 TYR HB2 . . 5.450 4.822 4.615 5.005 . 0 0 "[ . 1 . 2]" 1
1228 1 60 GLU H 1 61 TYR HB3 . . 5.130 4.492 4.325 4.615 . 0 0 "[ . 1 . 2]" 1
1229 1 60 GLU H 1 62 LEU H . . 5.170 4.465 4.329 4.585 . 0 0 "[ . 1 . 2]" 1
1230 1 60 GLU HA 1 60 GLU QG . . 3.710 2.654 2.468 3.114 . 0 0 "[ . 1 . 2]" 1
1231 1 60 GLU HA 1 62 LEU H . . 5.170 5.259 5.217 5.297 0.127 4 0 "[ . 1 . 2]" 1
1232 1 60 GLU HA 1 63 GLU H . . 4.200 4.325 4.213 4.416 0.216 6 0 "[ . 1 . 2]" 1
1233 1 60 GLU HA 1 63 GLU HB2 . . 4.730 4.584 4.363 4.868 0.138 15 0 "[ . 1 . 2]" 1
1234 1 60 GLU HA 1 64 LYS H . . 5.010 3.509 3.143 4.119 . 0 0 "[ . 1 . 2]" 1
1235 1 60 GLU HB2 1 60 GLU QG . . 2.530 2.311 2.131 2.365 . 0 0 "[ . 1 . 2]" 1
1236 1 60 GLU HB2 1 61 TYR H . . 4.560 4.212 4.089 4.365 . 0 0 "[ . 1 . 2]" 1
1237 1 60 GLU HB3 1 61 TYR H . . 4.380 3.292 3.002 3.594 . 0 0 "[ . 1 . 2]" 1
1238 1 61 TYR H 1 61 TYR QD . . 5.330 4.222 4.036 4.291 . 0 0 "[ . 1 . 2]" 1
1239 1 61 TYR H 1 62 LEU H . . 3.850 2.328 2.213 2.446 . 0 0 "[ . 1 . 2]" 1
1240 1 61 TYR H 1 63 GLU H . . 3.010 3.087 2.950 3.141 0.131 10 0 "[ . 1 . 2]" 1
1241 1 61 TYR HA 1 61 TYR QD . . 3.210 2.305 2.171 3.110 . 0 0 "[ . 1 . 2]" 1
1242 1 61 TYR HA 1 61 TYR QE . . 5.500 4.575 4.468 4.817 . 0 0 "[ . 1 . 2]" 1
1243 1 61 TYR HA 1 63 GLU H . . 5.500 4.342 4.123 4.491 . 0 0 "[ . 1 . 2]" 1
1244 1 61 TYR HA 1 64 LYS H . . 5.200 4.036 3.789 4.212 . 0 0 "[ . 1 . 2]" 1
1245 1 61 TYR HA 1 64 LYS QB . . 4.460 3.871 3.362 4.260 . 0 0 "[ . 1 . 2]" 1
1246 1 61 TYR HA 1 65 ALA H . . 4.410 3.447 3.039 3.845 . 0 0 "[ . 1 . 2]" 1
1247 1 61 TYR HB2 1 62 LEU H . . 4.110 3.656 3.521 3.795 . 0 0 "[ . 1 . 2]" 1
1248 1 61 TYR HB3 1 62 LEU H . . 3.930 2.195 2.015 2.373 . 0 0 "[ . 1 . 2]" 1
1249 1 61 TYR HB3 1 63 GLU H . . 5.500 4.481 4.227 4.635 . 0 0 "[ . 1 . 2]" 1
1250 1 61 TYR QD 1 62 LEU H . . 4.600 3.475 2.346 3.702 . 0 0 "[ . 1 . 2]" 1
1251 1 61 TYR QD 1 62 LEU HA . . 5.500 4.053 2.754 4.343 . 0 0 "[ . 1 . 2]" 1
1252 1 61 TYR QD 1 62 LEU MD2 . . 5.500 2.638 1.936 3.808 . 0 0 "[ . 1 . 2]" 1
1253 1 61 TYR QD 1 62 LEU HG . . 5.500 4.965 3.988 5.446 . 0 0 "[ . 1 . 2]" 1
1254 1 61 TYR QD 1 64 LYS H . . 5.500 5.564 5.501 5.633 0.133 13 0 "[ . 1 . 2]" 1
1255 1 61 TYR QD 1 65 ALA MB . . 5.390 2.802 2.441 4.205 . 0 0 "[ . 1 . 2]" 1
1256 1 61 TYR QD 1 66 LEU QD . . 4.680 3.211 2.630 4.309 . 0 0 "[ . 1 . 2]" 1
1257 1 61 TYR QE 1 65 ALA MB . . 5.240 3.713 3.288 4.835 . 0 0 "[ . 1 . 2]" 1
1258 1 61 TYR QE 1 66 LEU QD . . 4.670 2.953 2.326 4.247 . 0 0 "[ . 1 . 2]" 1
1259 1 62 LEU H 1 62 LEU HB2 . . 3.160 2.178 2.043 2.325 . 0 0 "[ . 1 . 2]" 1
1260 1 62 LEU H 1 62 LEU HB3 . . 3.970 3.260 2.681 3.580 . 0 0 "[ . 1 . 2]" 1
1261 1 62 LEU H 1 62 LEU MD2 . . 3.770 2.652 1.837 3.744 . 0 0 "[ . 1 . 2]" 1
1262 1 62 LEU H 1 62 LEU HG . . 4.360 4.154 3.942 4.426 0.066 10 0 "[ . 1 . 2]" 1
1263 1 62 LEU H 1 63 GLU H . . 3.560 2.567 2.378 2.700 . 0 0 "[ . 1 . 2]" 1
1264 1 62 LEU H 1 64 LYS H . . 5.360 4.015 3.833 4.153 . 0 0 "[ . 1 . 2]" 1
1265 1 62 LEU H 1 65 ALA MB . . 5.410 4.826 4.665 5.047 . 0 0 "[ . 1 . 2]" 1
1266 1 62 LEU H 1 66 LEU QD . . 4.990 4.005 3.776 4.462 . 0 0 "[ . 1 . 2]" 1
1267 1 62 LEU HA 1 62 LEU MD1 . . 3.840 2.239 1.964 2.786 . 0 0 "[ . 1 . 2]" 1
1268 1 62 LEU HA 1 62 LEU MD2 . . 3.540 2.423 1.836 2.947 . 0 0 "[ . 1 . 2]" 1
1269 1 62 LEU HA 1 64 LYS H . . 5.500 4.525 4.294 4.674 . 0 0 "[ . 1 . 2]" 1
1270 1 62 LEU HA 1 65 ALA H . . 4.260 4.171 3.747 4.312 0.052 19 0 "[ . 1 . 2]" 1
1271 1 62 LEU HA 1 65 ALA MB . . 4.070 4.055 3.510 4.133 0.063 8 0 "[ . 1 . 2]" 1
1272 1 62 LEU HA 1 66 LEU H . . 5.400 3.209 2.968 3.898 . 0 0 "[ . 1 . 2]" 1
1273 1 62 LEU HA 1 66 LEU HB2 . . 5.460 2.489 2.053 3.744 . 0 0 "[ . 1 . 2]" 1
1274 1 62 LEU HA 1 66 LEU QD . . 3.820 1.993 1.904 2.116 . 0 0 "[ . 1 . 2]" 1
1275 1 62 LEU HA 1 66 LEU HG . . 5.500 3.350 2.862 4.091 . 0 0 "[ . 1 . 2]" 1
1276 1 62 LEU HB2 1 63 GLU H . . 3.870 3.316 2.965 3.677 . 0 0 "[ . 1 . 2]" 1
1277 1 62 LEU HB2 1 63 GLU HA . . 5.500 4.867 4.376 5.415 . 0 0 "[ . 1 . 2]" 1
1278 1 62 LEU HB2 1 63 GLU HB2 . . 5.500 5.004 4.504 5.526 0.026 16 0 "[ . 1 . 2]" 1
1279 1 62 LEU HB3 1 62 LEU MD1 . . 3.670 2.436 2.309 2.565 . 0 0 "[ . 1 . 2]" 1
1280 1 62 LEU HB3 1 63 GLU H . . 4.400 3.489 2.790 3.842 . 0 0 "[ . 1 . 2]" 1
1281 1 62 LEU HB3 1 63 GLU HA . . 5.500 4.021 3.809 4.155 . 0 0 "[ . 1 . 2]" 1
1282 1 62 LEU HB3 1 63 GLU HB2 . . 5.500 4.889 3.781 5.368 . 0 0 "[ . 1 . 2]" 1
1283 1 62 LEU MD2 1 63 GLU H . . 4.500 4.343 4.061 4.654 0.154 15 0 "[ . 1 . 2]" 1
1284 1 63 GLU H 1 63 GLU HB2 . . 3.570 2.560 2.394 2.644 . 0 0 "[ . 1 . 2]" 1
1285 1 63 GLU H 1 63 GLU HG2 . . 4.950 3.417 2.924 4.369 . 0 0 "[ . 1 . 2]" 1
1286 1 63 GLU H 1 63 GLU HG3 . . 4.950 3.899 2.953 4.695 . 0 0 "[ . 1 . 2]" 1
1287 1 63 GLU H 1 64 LYS H . . 3.800 2.016 1.921 2.147 . 0 0 "[ . 1 . 2]" 1
1288 1 63 GLU H 1 65 ALA H . . 3.350 3.479 3.424 3.517 0.167 20 0 "[ . 1 . 2]" 1
1289 1 63 GLU HA 1 65 ALA H . . 4.840 4.405 4.073 4.836 . 0 0 "[ . 1 . 2]" 1
1290 1 63 GLU HA 1 66 LEU H . . 4.990 4.149 3.551 4.682 . 0 0 "[ . 1 . 2]" 1
1291 1 63 GLU HA 1 66 LEU HB2 . . 4.950 4.112 3.213 4.472 . 0 0 "[ . 1 . 2]" 1
1292 1 63 GLU HA 1 66 LEU HB3 . . 5.450 5.208 4.436 5.499 0.049 15 0 "[ . 1 . 2]" 1
1293 1 63 GLU HA 1 67 ASN H . . 5.070 3.073 2.318 4.207 . 0 0 "[ . 1 . 2]" 1
1294 1 63 GLU HA 1 67 ASN HD21 . . 5.110 3.146 1.778 4.142 . 0 0 "[ . 1 . 2]" 1
1295 1 63 GLU HB2 1 64 LYS H . . 4.540 3.175 3.067 3.492 . 0 0 "[ . 1 . 2]" 1
1296 1 63 GLU HB3 1 64 LYS H . . 4.320 3.862 2.971 4.048 . 0 0 "[ . 1 . 2]" 1
1297 1 63 GLU QG 1 64 LYS H . . 5.230 4.374 4.182 4.679 . 0 0 "[ . 1 . 2]" 1
1298 1 63 GLU QG 1 67 ASN HB2 . . 5.340 4.055 2.686 5.212 . 0 0 "[ . 1 . 2]" 1
1299 1 63 GLU QG 1 67 ASN HB3 . . 5.280 4.426 3.464 5.363 0.083 14 0 "[ . 1 . 2]" 1
1300 1 63 GLU HG2 1 67 ASN HD21 . . 5.500 4.141 2.730 5.505 0.005 12 0 "[ . 1 . 2]" 1
1301 1 63 GLU HG3 1 67 ASN HD21 . . 5.500 4.899 4.101 5.556 0.056 8 0 "[ . 1 . 2]" 1
1302 1 64 LYS H 1 64 LYS QB . . 3.530 2.378 2.204 2.551 . 0 0 "[ . 1 . 2]" 1
1303 1 64 LYS H 1 64 LYS QD . . 5.390 4.258 3.639 4.958 . 0 0 "[ . 1 . 2]" 1
1304 1 64 LYS H 1 64 LYS HG2 . . 5.260 4.343 2.564 4.776 . 0 0 "[ . 1 . 2]" 1
1305 1 64 LYS H 1 64 LYS HG3 . . 5.260 4.524 3.924 4.894 . 0 0 "[ . 1 . 2]" 1
1306 1 64 LYS H 1 65 ALA H . . 3.730 2.179 2.068 2.311 . 0 0 "[ . 1 . 2]" 1
1307 1 64 LYS H 1 66 LEU H . . 3.690 3.722 3.611 3.776 0.086 14 0 "[ . 1 . 2]" 1
1308 1 64 LYS HA 1 64 LYS QD . . 4.370 2.788 1.906 4.300 . 0 0 "[ . 1 . 2]" 1
1309 1 64 LYS HA 1 64 LYS QE . . 5.500 4.080 1.758 5.089 . 0 0 "[ . 1 . 2]" 1
1310 1 64 LYS HA 1 66 LEU H . . 5.050 4.856 4.493 5.067 0.017 8 0 "[ . 1 . 2]" 1
1311 1 64 LYS HA 1 67 ASN H . . 4.400 4.302 3.675 4.540 0.140 20 0 "[ . 1 . 2]" 1
1312 1 64 LYS HA 1 67 ASN HB2 . . 5.500 5.386 4.311 5.664 0.164 3 0 "[ . 1 . 2]" 1
1313 1 64 LYS HA 1 67 ASN HB3 . . 5.500 4.402 4.017 5.524 0.024 2 0 "[ . 1 . 2]" 1
1314 1 64 LYS HA 1 68 LYS H . . 3.900 3.176 2.489 3.973 0.073 9 0 "[ . 1 . 2]" 1
1315 1 64 LYS QB 1 65 ALA H . . 3.620 2.879 2.674 3.108 . 0 0 "[ . 1 . 2]" 1
1316 1 64 LYS QB 1 65 ALA MB . . 5.200 3.730 3.544 3.942 . 0 0 "[ . 1 . 2]" 1
1317 1 64 LYS HG2 1 65 ALA H . . 5.500 4.830 4.041 5.200 . 0 0 "[ . 1 . 2]" 1
1318 1 64 LYS HG3 1 65 ALA H . . 5.500 4.807 3.987 5.461 . 0 0 "[ . 1 . 2]" 1
1319 1 65 ALA H 1 65 ALA MB . . 3.160 2.379 2.323 2.430 . 0 0 "[ . 1 . 2]" 1
1320 1 65 ALA H 1 66 LEU H . . 3.770 2.231 2.103 2.319 . 0 0 "[ . 1 . 2]" 1
1321 1 65 ALA H 1 66 LEU QD . . 5.470 3.606 3.488 3.769 . 0 0 "[ . 1 . 2]" 1
1322 1 65 ALA H 1 67 ASN H . . 3.770 3.587 3.379 3.807 0.037 19 0 "[ . 1 . 2]" 1
1323 1 65 ALA HA 1 66 LEU QD . . 5.500 4.111 3.993 4.318 . 0 0 "[ . 1 . 2]" 1
1324 1 65 ALA HA 1 67 ASN H . . 5.500 4.526 3.793 4.973 . 0 0 "[ . 1 . 2]" 1
1325 1 65 ALA HA 1 68 LYS H . . 5.500 4.459 3.834 5.025 . 0 0 "[ . 1 . 2]" 1
1326 1 65 ALA HA 1 68 LYS HB2 . . 5.500 4.850 3.556 5.641 0.141 7 0 "[ . 1 . 2]" 1
1327 1 65 ALA HA 1 68 LYS HB3 . . 5.500 4.857 3.806 5.551 0.051 15 0 "[ . 1 . 2]" 1
1328 1 65 ALA MB 1 66 LEU H . . 4.000 2.565 2.375 2.750 . 0 0 "[ . 1 . 2]" 1
1329 1 65 ALA MB 1 66 LEU HA . . 4.570 3.866 3.800 3.933 . 0 0 "[ . 1 . 2]" 1
1330 1 65 ALA MB 1 66 LEU HB2 . . 4.440 4.204 4.001 4.326 . 0 0 "[ . 1 . 2]" 1
1331 1 65 ALA MB 1 66 LEU QD . . 3.430 2.225 2.081 2.408 . 0 0 "[ . 1 . 2]" 1
1332 1 66 LEU H 1 66 LEU HB2 . . 3.500 2.349 2.127 2.502 . 0 0 "[ . 1 . 2]" 1
1333 1 66 LEU H 1 66 LEU QD . . 4.160 2.359 2.269 2.470 . 0 0 "[ . 1 . 2]" 1
1334 1 66 LEU H 1 66 LEU HG . . 4.560 4.190 4.061 4.251 . 0 0 "[ . 1 . 2]" 1
1335 1 66 LEU H 1 67 ASN H . . 2.710 2.410 2.326 2.517 . 0 0 "[ . 1 . 2]" 1
1336 1 66 LEU H 1 68 LYS H . . 4.060 4.010 3.814 4.098 0.038 7 0 "[ . 1 . 2]" 1
1337 1 66 LEU HA 1 66 LEU QD . . 3.410 1.981 1.923 2.022 . 0 0 "[ . 1 . 2]" 1
1338 1 66 LEU HA 1 66 LEU HG . . 3.980 3.739 3.693 3.775 . 0 0 "[ . 1 . 2]" 1
1339 1 66 LEU HA 1 68 LYS H . . 5.110 4.898 4.153 5.233 0.123 13 0 "[ . 1 . 2]" 1
1340 1 66 LEU HB2 1 66 LEU HG . . 2.490 2.473 2.449 2.505 0.015 15 0 "[ . 1 . 2]" 1
1341 1 66 LEU HB2 1 67 ASN H . . 4.890 2.990 2.613 3.551 . 0 0 "[ . 1 . 2]" 1
1342 1 66 LEU HB2 1 67 ASN HD21 . . 5.500 5.178 3.061 5.559 0.059 5 0 "[ . 1 . 2]" 1
1343 1 66 LEU HB3 1 67 ASN H . . 5.260 3.641 3.189 4.050 . 0 0 "[ . 1 . 2]" 1
1344 1 66 LEU HB3 1 67 ASN HD21 . . 5.500 5.365 3.838 5.684 0.184 5 0 "[ . 1 . 2]" 1
1345 1 66 LEU QD 1 67 ASN H . . 5.500 3.901 3.800 4.034 . 0 0 "[ . 1 . 2]" 1
1346 1 66 LEU QD 1 68 LYS H . . 5.500 5.260 4.910 5.472 . 0 0 "[ . 1 . 2]" 1
1347 1 67 ASN H 1 68 LYS H . . 3.970 2.261 1.946 2.519 . 0 0 "[ . 1 . 2]" 1
1348 1 67 ASN HB2 1 68 LYS H . . 4.760 3.545 2.483 4.513 . 0 0 "[ . 1 . 2]" 1
1349 1 67 ASN HB3 1 68 LYS H . . 4.920 2.695 2.022 3.821 . 0 0 "[ . 1 . 2]" 1
1350 1 68 LYS H 1 68 LYS QB . . 3.520 2.821 2.334 3.371 . 0 0 "[ . 1 . 2]" 1
1351 1 68 LYS H 1 68 LYS QG . . 4.140 3.519 2.158 4.185 0.045 11 0 "[ . 1 . 2]" 1
1352 1 68 LYS HA 1 68 LYS QD . . 4.460 4.104 3.926 4.448 . 0 0 "[ . 1 . 2]" 1
1353 1 68 LYS QB 1 68 LYS QD . . 2.280 2.150 2.065 2.289 0.009 3 0 "[ . 1 . 2]" 1
1354 1 68 LYS QB 1 68 LYS QE . . 4.440 3.119 1.940 3.642 . 0 0 "[ . 1 . 2]" 1
1355 1 68 LYS HB2 1 68 LYS QD . . 2.690 2.480 2.278 2.779 0.089 18 0 "[ . 1 . 2]" 1
1356 1 68 LYS HB2 1 68 LYS QE . . 5.060 3.435 1.964 4.182 . 0 0 "[ . 1 . 2]" 1
1357 1 68 LYS HB3 1 68 LYS QD . . 2.690 2.381 2.275 2.478 . 0 0 "[ . 1 . 2]" 1
1358 1 68 LYS HB3 1 68 LYS QE . . 5.060 3.725 2.905 4.209 . 0 0 "[ . 1 . 2]" 1
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