NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
518777 |
2lff   |
17751 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lff
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 1544
_Distance_constraint_stats_list.Viol_count 1309
_Distance_constraint_stats_list.Viol_total 3300.199
_Distance_constraint_stats_list.Viol_max 1.619
_Distance_constraint_stats_list.Viol_rms 0.0578
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.1261
_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 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.689 0.259 9 0 "[ . 1 . 2]"
1 8 LEU 0.874 0.084 8 0 "[ . 1 . 2]"
1 9 LYS 0.492 0.086 18 0 "[ . 1 . 2]"
1 10 ALA 0.472 0.095 19 0 "[ . 1 . 2]"
1 11 GLU 3.531 0.631 20 1 "[ . 1 . +]"
1 12 GLN 2.134 0.098 13 0 "[ . 1 . 2]"
1 13 GLN 2.842 0.200 12 0 "[ . 1 . 2]"
1 14 GLY 0.758 0.098 20 0 "[ . 1 . 2]"
1 15 ILE 0.704 0.073 17 0 "[ . 1 . 2]"
1 16 LYS 0.620 0.143 7 0 "[ . 1 . 2]"
1 17 ILE 1.069 0.089 9 0 "[ . 1 . 2]"
1 18 LEU 1.578 0.114 11 0 "[ . 1 . 2]"
1 19 LYS 0.077 0.077 5 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 1.693 0.115 20 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.023 0.023 2 0 "[ . 1 . 2]"
1 24 LYS 1.084 0.115 20 0 "[ . 1 . 2]"
1 25 ALA 0.073 0.033 5 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.461 0.080 8 0 "[ . 1 . 2]"
1 28 GLY 0.059 0.033 5 0 "[ . 1 . 2]"
1 29 ASP 0.402 0.189 3 0 "[ . 1 . 2]"
1 30 GLU 1.233 0.168 18 0 "[ . 1 . 2]"
1 31 GLN 1.410 0.163 7 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 3.427 0.187 19 0 "[ . 1 . 2]"
1 34 ALA 0.222 0.089 6 0 "[ . 1 . 2]"
1 35 ARG 5.304 0.342 3 0 "[ . 1 . 2]"
1 36 LEU 0.668 0.099 9 0 "[ . 1 . 2]"
1 37 ASN 0.304 0.211 6 0 "[ . 1 . 2]"
1 38 GLN 4.352 0.219 20 0 "[ . 1 . 2]"
1 39 GLU 0.039 0.020 18 0 "[ . 1 . 2]"
1 40 ILE 0.744 0.084 7 0 "[ . 1 . 2]"
1 41 VAL 0.316 0.056 18 0 "[ . 1 . 2]"
1 42 LYS 0.174 0.035 13 0 "[ . 1 . 2]"
1 43 ALA 0.179 0.030 17 0 "[ . 1 . 2]"
1 44 GLU 12.133 1.580 20 9 "[ * ** *1 - * * *+]"
1 45 LYS 2.330 0.244 3 0 "[ . 1 . 2]"
1 46 GLN 0.814 0.114 1 0 "[ . 1 . 2]"
1 47 GLY 0.717 0.114 1 0 "[ . 1 . 2]"
1 48 VAL 0.389 0.173 3 0 "[ . 1 . 2]"
1 49 LYS 0.881 0.173 3 0 "[ . 1 . 2]"
1 50 VAL 1.121 0.087 1 0 "[ . 1 . 2]"
1 51 TYR 0.432 0.078 7 0 "[ . 1 . 2]"
1 52 LYS 0.962 0.112 6 0 "[ . 1 . 2]"
1 53 GLU 0.120 0.034 4 0 "[ . 1 . 2]"
1 54 ALA 0.355 0.066 6 0 "[ . 1 . 2]"
1 55 ALA 0.175 0.060 20 0 "[ . 1 . 2]"
1 56 GLU 0.013 0.013 2 0 "[ . 1 . 2]"
1 57 LYS 1.395 0.180 7 0 "[ . 1 . 2]"
1 58 ALA 0.096 0.033 19 0 "[ . 1 . 2]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.130 0.043 17 0 "[ . 1 . 2]"
1 61 PRO 0.137 0.070 6 0 "[ . 1 . 2]"
1 62 GLU 0.441 0.103 7 0 "[ . 1 . 2]"
1 63 LYS 0.504 0.085 13 0 "[ . 1 . 2]"
1 64 ARG 0.104 0.070 6 0 "[ . 1 . 2]"
1 65 GLN 4.365 0.190 9 0 "[ . 1 . 2]"
1 66 VAL 0.267 0.070 1 0 "[ . 1 . 2]"
1 67 ILE 0.196 0.060 20 0 "[ . 1 . 2]"
1 68 ASP 0.737 0.155 9 0 "[ . 1 . 2]"
1 69 LYS 0.560 0.150 8 0 "[ . 1 . 2]"
1 70 ILE 1.708 0.140 17 0 "[ . 1 . 2]"
1 71 LEU 0.913 0.155 9 0 "[ . 1 . 2]"
1 72 GLU 0.014 0.014 20 0 "[ . 1 . 2]"
1 73 ASP 18.322 1.619 17 10 "[ * **-* *** .*+ 2]"
1 74 GLU 42.255 1.516 10 16 "[ ******* +** ****-*]"
1 75 GLU 3.877 0.280 3 0 "[ . 1 . 2]"
1 76 LYS 0.049 0.022 15 0 "[ . 1 . 2]"
1 77 HIS 10.466 1.130 20 1 "[ . 1 . +]"
1 78 ILE 0.857 0.067 16 0 "[ . 1 . 2]"
1 79 GLU 0.823 0.183 7 0 "[ . 1 . 2]"
1 80 TRP 2.451 0.124 13 0 "[ . 1 . 2]"
1 81 HIS 3.906 0.158 9 0 "[ . 1 . 2]"
1 82 LYS 0.062 0.048 17 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ALA 0.160 0.057 20 0 "[ . 1 . 2]"
1 91 GLU 0.178 0.050 8 0 "[ . 1 . 2]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 PHE 2.182 0.187 19 0 "[ . 1 . 2]"
1 94 ALA 0.311 0.221 10 0 "[ . 1 . 2]"
1 95 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LEU 0.957 0.089 9 0 "[ . 1 . 2]"
1 97 VAL 0.480 0.221 10 0 "[ . 1 . 2]"
1 98 GLN 0.208 0.045 8 0 "[ . 1 . 2]"
1 99 GLN 0.376 0.102 10 0 "[ . 1 . 2]"
1 100 HIS 9.025 0.389 14 0 "[ . 1 . 2]"
1 101 LEU 0.548 0.077 5 0 "[ . 1 . 2]"
1 102 GLN 2.862 0.213 5 0 "[ . 1 . 2]"
1 103 ASP 2.554 0.184 14 0 "[ . 1 . 2]"
1 104 GLU 7.568 0.208 19 0 "[ . 1 . 2]"
1 105 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 HIS 7.366 0.255 16 0 "[ . 1 . 2]"
1 108 VAL 0.598 0.113 11 0 "[ . 1 . 2]"
1 109 GLU 0.025 0.013 8 0 "[ . 1 . 2]"
1 110 GLU 0.019 0.019 6 0 "[ . 1 . 2]"
1 111 ILE 1.052 0.113 11 0 "[ . 1 . 2]"
1 112 GLU 2.753 0.256 8 0 "[ . 1 . 2]"
1 113 LYS 1.217 0.195 4 0 "[ . 1 . 2]"
1 114 LYS 0.563 0.081 15 0 "[ . 1 . 2]"
1 115 ASN 0.675 0.084 8 0 "[ . 1 . 2]"
2 1 ZN 24.890 1.619 17 11 "[ * **** *** .*+ -]"
3 1 ZN 47.519 1.580 20 17 "[ **********- *****+]"
4 1 ZN 28.098 1.211 3 16 "[ *+***** *** *****-]"
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 4 LEU HA 1 4 LEU MD1 3.150 . 4.500 2.782 1.806 3.878 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU HA 1 4 LEU MD2 3.150 . 4.500 3.068 1.849 3.890 . 0 0 "[ . 1 . 2]" 1
3 1 7 LEU H 1 7 LEU MD1 4.410 . 7.020 3.334 1.856 4.171 . 0 0 "[ . 1 . 2]" 1
4 1 7 LEU H 1 7 LEU QD 4.220 . 6.650 2.826 1.853 3.689 . 0 0 "[ . 1 . 2]" 1
5 1 7 LEU H 1 7 LEU MD2 4.410 . 7.020 3.403 2.777 4.111 . 0 0 "[ . 1 . 2]" 1
6 1 7 LEU H 1 7 LEU HG 2.890 . 3.980 2.647 2.064 4.239 0.259 9 0 "[ . 1 . 2]" 1
7 1 7 LEU HA 1 7 LEU MD1 3.940 . 6.080 3.573 2.228 3.908 . 0 0 "[ . 1 . 2]" 1
8 1 7 LEU HA 1 7 LEU MD2 3.940 . 6.080 2.462 1.884 3.932 . 0 0 "[ . 1 . 2]" 1
9 1 7 LEU HA 1 10 ALA H 3.110 . 4.420 3.728 3.207 4.010 . 0 0 "[ . 1 . 2]" 1
10 1 7 LEU HA 1 10 ALA MB 3.490 . 5.180 3.426 2.627 4.137 . 0 0 "[ . 1 . 2]" 1
11 1 7 LEU HA 1 50 VAL MG1 3.630 . 5.470 4.113 2.352 4.987 . 0 0 "[ . 1 . 2]" 1
12 1 7 LEU HA 1 50 VAL MG2 3.520 . 5.250 3.400 2.183 5.037 . 0 0 "[ . 1 . 2]" 1
13 1 7 LEU QB 1 111 ILE MD 4.020 . 6.240 4.199 2.689 5.395 . 0 0 "[ . 1 . 2]" 1
14 1 7 LEU QD 1 8 LEU H 5.180 . 8.570 4.015 3.621 4.240 . 0 0 "[ . 1 . 2]" 1
15 1 7 LEU QD 1 10 ALA MB 5.690 . 9.590 4.088 3.119 5.120 . 0 0 "[ . 1 . 2]" 1
16 1 7 LEU QD 1 50 VAL HB 3.240 . 4.680 2.478 1.837 3.967 . 0 0 "[ . 1 . 2]" 1
17 1 7 LEU QD 1 50 VAL MG1 4.640 . 7.480 2.805 1.788 4.142 0.012 18 0 "[ . 1 . 2]" 1
18 1 7 LEU QD 1 50 VAL MG2 5.690 . 9.590 2.695 1.863 4.244 . 0 0 "[ . 1 . 2]" 1
19 1 7 LEU QD 1 51 TYR H 4.910 . 8.030 3.769 3.156 4.563 . 0 0 "[ . 1 . 2]" 1
20 1 7 LEU QD 1 51 TYR HA 3.300 . 4.800 2.890 1.881 3.871 . 0 0 "[ . 1 . 2]" 1
21 1 7 LEU QD 1 51 TYR QD 4.100 . 6.410 2.645 1.789 3.559 0.001 14 0 "[ . 1 . 2]" 1
22 1 7 LEU QD 1 51 TYR QE 3.750 . 5.710 2.635 2.009 3.315 . 0 0 "[ . 1 . 2]" 1
23 1 7 LEU QD 1 54 ALA MB 4.270 . 6.750 2.528 1.832 3.701 . 0 0 "[ . 1 . 2]" 1
24 1 7 LEU QD 1 111 ILE MG 4.670 . 7.550 4.382 3.627 5.465 . 0 0 "[ . 1 . 2]" 1
25 1 7 LEU MD1 1 50 VAL HB 3.510 . 5.220 4.064 2.313 5.240 0.020 7 0 "[ . 1 . 2]" 1
26 1 7 LEU MD1 1 50 VAL MG1 4.920 . 8.040 4.206 1.923 5.752 . 0 0 "[ . 1 . 2]" 1
27 1 7 LEU MD1 1 51 TYR HA 3.530 . 5.260 3.760 2.434 5.094 . 0 0 "[ . 1 . 2]" 1
28 1 7 LEU MD1 1 51 TYR QD 4.450 . 7.100 3.367 2.549 4.868 . 0 0 "[ . 1 . 2]" 1
29 1 7 LEU MD1 1 51 TYR QE 3.930 . 6.060 3.197 2.027 4.962 . 0 0 "[ . 1 . 2]" 1
30 1 7 LEU MD1 1 54 ALA MB 4.410 . 7.030 2.867 1.992 3.918 . 0 0 "[ . 1 . 2]" 1
31 1 7 LEU MD1 1 111 ILE MD 4.920 . 8.040 4.892 3.230 7.062 . 0 0 "[ . 1 . 2]" 1
32 1 7 LEU MD1 1 111 ILE MG 4.920 . 8.040 4.795 3.688 6.562 . 0 0 "[ . 1 . 2]" 1
33 1 7 LEU MD2 1 50 VAL HB 3.510 . 5.220 2.774 1.844 4.706 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU MD2 1 50 VAL MG1 4.920 . 8.040 3.122 1.790 5.547 0.010 18 0 "[ . 1 . 2]" 1
35 1 7 LEU MD2 1 51 TYR HA 3.530 . 5.260 3.215 1.936 4.573 . 0 0 "[ . 1 . 2]" 1
36 1 7 LEU MD2 1 51 TYR QD 4.450 . 7.100 3.072 1.791 4.243 0.009 19 0 "[ . 1 . 2]" 1
37 1 7 LEU MD2 1 51 TYR QE 3.930 . 6.060 3.187 2.275 4.511 . 0 0 "[ . 1 . 2]" 1
38 1 7 LEU MD2 1 54 ALA MB 4.410 . 7.030 3.068 1.994 4.789 . 0 0 "[ . 1 . 2]" 1
39 1 7 LEU MD2 1 111 ILE MD 4.920 . 8.040 5.286 3.376 6.628 . 0 0 "[ . 1 . 2]" 1
40 1 7 LEU MD2 1 111 ILE MG 4.920 . 8.040 5.658 3.922 7.035 . 0 0 "[ . 1 . 2]" 1
41 1 7 LEU HG 1 50 VAL MG1 3.580 . 5.360 4.476 1.798 5.447 0.087 1 0 "[ . 1 . 2]" 1
42 1 8 LEU H 1 8 LEU HB2 2.660 . 3.520 2.416 2.179 2.626 . 0 0 "[ . 1 . 2]" 1
43 1 8 LEU H 1 8 LEU HB3 2.660 . 3.520 3.343 2.536 3.578 0.058 5 0 "[ . 1 . 2]" 1
44 1 8 LEU H 1 8 LEU MD1 3.400 . 5.000 3.755 3.510 4.319 . 0 0 "[ . 1 . 2]" 1
45 1 8 LEU H 1 8 LEU MD2 3.490 . 5.180 3.499 2.837 4.243 . 0 0 "[ . 1 . 2]" 1
46 1 8 LEU H 1 8 LEU HG 3.520 . 5.240 2.884 2.059 4.566 . 0 0 "[ . 1 . 2]" 1
47 1 8 LEU HA 1 8 LEU MD1 3.580 . 5.360 3.571 2.068 3.891 . 0 0 "[ . 1 . 2]" 1
48 1 8 LEU HA 1 8 LEU MD2 2.860 . 3.920 2.069 1.798 3.885 0.002 14 0 "[ . 1 . 2]" 1
49 1 8 LEU HA 1 11 GLU H 3.020 . 4.240 3.622 3.233 4.044 . 0 0 "[ . 1 . 2]" 1
50 1 8 LEU HA 1 12 GLN H 3.340 . 4.880 4.236 3.899 4.635 . 0 0 "[ . 1 . 2]" 1
51 1 8 LEU HA 1 111 ILE MD 3.920 . 6.050 4.397 2.814 5.737 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU QB 1 9 LYS H 2.970 . 4.150 2.710 2.406 2.902 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU HB2 1 9 LYS H 3.160 . 4.520 3.053 2.443 3.943 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU HB3 1 9 LYS H 3.160 . 4.520 3.467 2.609 3.968 . 0 0 "[ . 1 . 2]" 1
55 1 8 LEU MD1 1 12 GLN QG 4.000 . 6.210 3.901 1.959 5.693 . 0 0 "[ . 1 . 2]" 1
56 1 8 LEU MD1 1 112 GLU QB 3.930 . 6.060 4.025 2.276 5.758 . 0 0 "[ . 1 . 2]" 1
57 1 8 LEU MD1 1 112 GLU HG2 3.740 . 5.690 3.633 2.007 5.581 . 0 0 "[ . 1 . 2]" 1
58 1 8 LEU MD1 1 112 GLU QG 3.600 . 5.410 3.244 1.830 4.488 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU MD1 1 112 GLU HG3 3.740 . 5.690 3.933 2.111 5.482 . 0 0 "[ . 1 . 2]" 1
60 1 8 LEU MD2 1 12 GLN HE21 4.410 . 7.020 3.752 2.653 5.009 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU MD2 1 12 GLN QE 4.190 . 6.590 3.621 2.263 4.843 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU MD2 1 12 GLN HE22 4.410 . 7.020 4.921 2.412 6.427 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU MD2 1 108 VAL HA 3.650 . 5.510 3.757 2.378 5.040 . 0 0 "[ . 1 . 2]" 1
64 1 8 LEU MD2 1 111 ILE H 4.050 . 6.300 4.997 4.023 5.822 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU MD2 1 111 ILE HB 3.150 . 4.500 2.953 2.054 3.954 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU MD2 1 112 GLU QB 4.040 . 6.280 3.759 1.876 5.944 . 0 0 "[ . 1 . 2]" 1
67 1 8 LEU MD2 1 112 GLU HG2 3.560 . 5.330 3.315 2.112 5.354 0.024 8 0 "[ . 1 . 2]" 1
68 1 8 LEU MD2 1 112 GLU QG 3.410 . 5.020 2.973 1.907 4.350 . 0 0 "[ . 1 . 2]" 1
69 1 8 LEU MD2 1 112 GLU HG3 3.560 . 5.330 3.613 2.173 5.094 . 0 0 "[ . 1 . 2]" 1
70 1 8 LEU MD2 1 115 ASN HB2 4.260 . 6.730 5.350 3.649 6.745 0.015 2 0 "[ . 1 . 2]" 1
71 1 8 LEU MD2 1 115 ASN QB 4.120 . 6.440 4.791 3.412 5.660 . 0 0 "[ . 1 . 2]" 1
72 1 8 LEU MD2 1 115 ASN HB3 4.260 . 6.730 5.624 4.019 6.814 0.084 8 0 "[ . 1 . 2]" 1
73 1 9 LYS H 1 9 LYS HG2 3.900 . 6.000 3.793 1.945 4.575 . 0 0 "[ . 1 . 2]" 1
74 1 9 LYS H 1 9 LYS QG 3.660 . 5.520 3.013 1.935 4.036 . 0 0 "[ . 1 . 2]" 1
75 1 9 LYS H 1 9 LYS HG3 3.900 . 6.000 3.372 2.091 4.502 . 0 0 "[ . 1 . 2]" 1
76 1 9 LYS H 1 10 ALA H 2.550 . 3.300 2.700 2.566 2.782 . 0 0 "[ . 1 . 2]" 1
77 1 9 LYS HA 1 9 LYS QG 2.770 . 3.750 2.555 2.291 3.376 . 0 0 "[ . 1 . 2]" 1
78 1 9 LYS HA 1 12 GLN H 3.000 . 4.200 3.497 3.118 3.743 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS HA 1 12 GLN HB2 2.890 . 3.980 2.430 2.211 2.755 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS HA 1 12 GLN HB3 2.890 . 3.980 3.973 3.792 4.066 0.086 18 0 "[ . 1 . 2]" 1
81 1 9 LYS HA 1 13 GLN H 3.430 . 5.060 3.912 3.584 4.231 . 0 0 "[ . 1 . 2]" 1
82 1 9 LYS QB 1 10 ALA H 3.040 . 4.290 2.770 2.530 3.599 . 0 0 "[ . 1 . 2]" 1
83 1 10 ALA H 1 10 ALA MB 2.640 . 3.490 2.239 2.218 2.252 . 0 0 "[ . 1 . 2]" 1
84 1 10 ALA H 1 11 GLU H 2.640 . 3.480 2.707 2.596 2.808 . 0 0 "[ . 1 . 2]" 1
85 1 10 ALA HA 1 13 GLN H 2.910 . 4.020 3.505 3.261 3.772 . 0 0 "[ . 1 . 2]" 1
86 1 10 ALA HA 1 13 GLN HB2 2.820 . 3.840 3.209 2.370 3.869 0.029 15 0 "[ . 1 . 2]" 1
87 1 10 ALA HA 1 13 GLN QB 2.640 . 3.490 2.692 2.351 3.086 . 0 0 "[ . 1 . 2]" 1
88 1 10 ALA HA 1 13 GLN HB3 2.820 . 3.840 3.182 2.649 3.935 0.095 19 0 "[ . 1 . 2]" 1
89 1 10 ALA MB 1 11 GLU H 3.020 . 4.250 2.428 2.371 2.507 . 0 0 "[ . 1 . 2]" 1
90 1 10 ALA MB 1 11 GLU QG 4.850 . 7.900 4.156 3.058 5.445 . 0 0 "[ . 1 . 2]" 1
91 1 10 ALA MB 1 12 GLN H 4.410 . 7.020 4.467 4.405 4.614 . 0 0 "[ . 1 . 2]" 1
92 1 10 ALA MB 1 13 GLN H 3.720 . 5.650 4.583 4.427 4.757 . 0 0 "[ . 1 . 2]" 1
93 1 10 ALA MB 1 46 GLN HG2 3.740 . 5.690 4.700 3.447 5.717 0.027 7 0 "[ . 1 . 2]" 1
94 1 10 ALA MB 1 46 GLN HG3 3.740 . 5.690 4.069 3.024 5.525 . 0 0 "[ . 1 . 2]" 1
95 1 10 ALA MB 1 47 GLY H 3.740 . 5.690 3.158 2.676 3.789 . 0 0 "[ . 1 . 2]" 1
96 1 10 ALA MB 1 47 GLY HA2 4.080 . 6.370 2.424 1.788 3.620 0.002 17 0 "[ . 1 . 2]" 1
97 1 10 ALA MB 1 47 GLY QA 3.690 . 5.580 2.158 1.769 3.086 0.031 17 0 "[ . 1 . 2]" 1
98 1 10 ALA MB 1 47 GLY HA3 4.080 . 6.370 2.491 1.950 3.345 . 0 0 "[ . 1 . 2]" 1
99 1 10 ALA MB 1 50 VAL MG1 4.750 . 7.710 4.410 3.438 5.750 . 0 0 "[ . 1 . 2]" 1
100 1 10 ALA MB 1 50 VAL MG2 4.920 . 8.040 3.291 2.187 4.964 . 0 0 "[ . 1 . 2]" 1
101 1 10 ALA MB 1 51 TYR QE 3.940 . 6.090 3.438 2.125 4.901 . 0 0 "[ . 1 . 2]" 1
102 1 11 GLU H 1 11 GLU HG2 3.270 . 4.740 3.377 2.210 4.614 . 0 0 "[ . 1 . 2]" 1
103 1 11 GLU H 1 11 GLU QG 2.990 . 4.190 3.106 2.192 4.049 . 0 0 "[ . 1 . 2]" 1
104 1 11 GLU H 1 11 GLU HG3 3.270 . 4.740 3.992 3.505 4.489 . 0 0 "[ . 1 . 2]" 1
105 1 11 GLU H 1 12 GLN H 2.640 . 3.480 2.628 2.550 2.698 . 0 0 "[ . 1 . 2]" 1
106 1 11 GLU H 1 13 GLN H 3.450 . 5.100 4.052 3.906 4.172 . 0 0 "[ . 1 . 2]" 1
107 1 11 GLU H 1 108 VAL MG2 4.410 . 7.020 5.445 4.620 6.367 . 0 0 "[ . 1 . 2]" 1
108 1 11 GLU QB 1 15 ILE MD 4.180 . 6.570 3.688 2.913 4.548 . 0 0 "[ . 1 . 2]" 1
109 1 11 GLU QB 1 108 VAL MG2 3.620 . 5.450 3.008 2.223 4.013 . 0 0 "[ . 1 . 2]" 1
110 1 11 GLU QG 1 51 TYR QE 4.770 . 7.750 3.789 2.481 5.226 . 0 0 "[ . 1 . 2]" 1
111 1 11 GLU QG 1 108 VAL MG1 4.340 . 6.890 4.762 4.055 5.417 . 0 0 "[ . 1 . 2]" 1
112 1 11 GLU QG 1 108 VAL MG2 3.600 . 5.410 3.018 2.196 3.775 . 0 0 "[ . 1 . 2]" 1
113 1 11 GLU QG 1 111 ILE MD 3.790 . 5.780 3.797 1.994 5.150 . 0 0 "[ . 1 . 2]" 1
114 1 11 GLU HG2 1 108 VAL MG2 3.970 . 6.150 3.799 2.297 5.048 . 0 0 "[ . 1 . 2]" 1
115 1 11 GLU HG2 1 111 ILE MD 3.980 . 6.160 4.461 2.634 6.219 0.059 9 0 "[ . 1 . 2]" 1
116 1 11 GLU HG3 1 108 VAL MG2 3.970 . 6.150 3.283 2.508 3.898 . 0 0 "[ . 1 . 2]" 1
117 1 11 GLU HG3 1 111 ILE MD 3.980 . 6.160 4.590 2.025 6.250 0.090 18 0 "[ . 1 . 2]" 1
118 1 11 GLU OE1 4 1 ZN ZN 1.950 . 2.100 2.190 1.579 2.731 0.631 20 1 "[ . 1 . +]" 1
119 1 12 GLN H 1 12 GLN HB2 2.640 . 3.480 2.377 2.190 2.507 . 0 0 "[ . 1 . 2]" 1
120 1 12 GLN H 1 12 GLN QB 2.540 . 3.280 2.343 2.169 2.461 . 0 0 "[ . 1 . 2]" 1
121 1 12 GLN H 1 12 GLN HB3 2.640 . 3.480 3.557 3.491 3.578 0.098 13 0 "[ . 1 . 2]" 1
122 1 12 GLN H 1 12 GLN HG2 2.870 . 3.950 2.442 2.157 3.981 0.031 8 0 "[ . 1 . 2]" 1
123 1 12 GLN H 1 12 GLN HG3 2.870 . 3.950 3.700 3.572 3.979 0.029 8 0 "[ . 1 . 2]" 1
124 1 12 GLN H 1 13 GLN H 2.580 . 3.370 2.671 2.616 2.745 . 0 0 "[ . 1 . 2]" 1
125 1 12 GLN H 1 108 VAL MG2 4.320 . 6.840 4.625 3.911 5.330 . 0 0 "[ . 1 . 2]" 1
126 1 12 GLN HA 1 15 ILE H 3.160 . 4.520 3.494 3.186 3.761 . 0 0 "[ . 1 . 2]" 1
127 1 12 GLN HA 1 15 ILE HB 2.660 . 3.520 2.752 2.262 3.233 . 0 0 "[ . 1 . 2]" 1
128 1 12 GLN HA 1 15 ILE MD 3.180 . 4.570 2.688 2.172 4.620 0.050 7 0 "[ . 1 . 2]" 1
129 1 12 GLN HA 1 15 ILE MG 3.600 . 5.400 4.084 3.685 4.496 . 0 0 "[ . 1 . 2]" 1
130 1 12 GLN HA 1 16 LYS H 3.200 . 4.600 4.056 3.617 4.372 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLN HA 1 108 VAL MG1 4.410 . 7.020 5.620 5.049 6.286 . 0 0 "[ . 1 . 2]" 1
132 1 12 GLN QB 1 13 GLN H 2.710 . 3.630 2.627 2.448 2.895 . 0 0 "[ . 1 . 2]" 1
133 1 12 GLN HB2 1 13 GLN H 2.820 . 3.840 2.706 2.497 3.084 . 0 0 "[ . 1 . 2]" 1
134 1 12 GLN HB3 1 13 GLN H 2.820 . 3.840 3.581 3.444 3.711 . 0 0 "[ . 1 . 2]" 1
135 1 12 GLN QE 1 108 VAL MG2 4.350 . 6.910 2.540 1.802 3.253 . 0 0 "[ . 1 . 2]" 1
136 1 12 GLN HE21 1 108 VAL MG1 4.050 . 6.300 3.017 2.112 3.707 . 0 0 "[ . 1 . 2]" 1
137 1 12 GLN HE21 1 108 VAL MG2 4.410 . 7.020 2.944 1.861 4.242 . 0 0 "[ . 1 . 2]" 1
138 1 12 GLN HE22 1 108 VAL MG1 4.050 . 6.300 2.862 2.100 3.880 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLN HE22 1 108 VAL MG2 4.410 . 7.020 2.851 2.408 3.676 . 0 0 "[ . 1 . 2]" 1
140 1 12 GLN QG 1 108 VAL MG1 3.910 . 6.030 4.335 3.533 4.971 . 0 0 "[ . 1 . 2]" 1
141 1 12 GLN QG 1 108 VAL MG2 4.000 . 6.210 3.875 3.103 4.444 . 0 0 "[ . 1 . 2]" 1
142 1 12 GLN HG2 1 13 GLN H 3.900 . 6.000 4.486 4.240 5.338 . 0 0 "[ . 1 . 2]" 1
143 1 12 GLN HG3 1 13 GLN H 3.900 . 6.000 5.014 4.831 5.183 . 0 0 "[ . 1 . 2]" 1
144 1 13 GLN H 1 13 GLN HB2 2.550 . 3.300 2.411 2.072 2.523 . 0 0 "[ . 1 . 2]" 1
145 1 13 GLN H 1 13 GLN QB 2.440 . 3.090 2.223 2.051 2.258 . 0 0 "[ . 1 . 2]" 1
146 1 13 GLN H 1 13 GLN HB3 2.550 . 3.300 2.779 2.488 3.500 0.200 12 0 "[ . 1 . 2]" 1
147 1 13 GLN H 1 13 GLN HG2 3.230 . 4.670 4.320 2.666 4.608 . 0 0 "[ . 1 . 2]" 1
148 1 13 GLN H 1 13 GLN HG3 3.230 . 4.670 4.135 2.537 4.504 . 0 0 "[ . 1 . 2]" 1
149 1 13 GLN H 1 14 GLY H 2.600 . 3.410 2.677 2.550 2.741 . 0 0 "[ . 1 . 2]" 1
150 1 13 GLN HA 1 13 GLN HG2 2.870 . 3.950 3.292 2.356 3.795 . 0 0 "[ . 1 . 2]" 1
151 1 13 GLN HA 1 13 GLN QG 2.720 . 3.650 2.620 2.270 3.019 . 0 0 "[ . 1 . 2]" 1
152 1 13 GLN HA 1 13 GLN HG3 2.870 . 3.950 2.841 2.383 3.673 . 0 0 "[ . 1 . 2]" 1
153 1 13 GLN HA 1 16 LYS H 2.890 . 3.980 3.414 3.132 3.541 . 0 0 "[ . 1 . 2]" 1
154 1 13 GLN HA 1 16 LYS HB2 2.620 . 3.440 3.156 2.251 3.499 0.059 17 0 "[ . 1 . 2]" 1
155 1 13 GLN HA 1 16 LYS QB 2.470 . 3.140 2.548 1.968 2.863 . 0 0 "[ . 1 . 2]" 1
156 1 13 GLN HA 1 16 LYS HB3 2.620 . 3.440 2.756 2.000 3.520 0.080 7 0 "[ . 1 . 2]" 1
157 1 13 GLN HA 1 17 ILE H 2.960 . 4.130 4.144 3.927 4.219 0.089 9 0 "[ . 1 . 2]" 1
158 1 13 GLN HB2 1 14 GLY H 2.760 . 3.730 3.521 2.608 3.828 0.098 20 0 "[ . 1 . 2]" 1
159 1 13 GLN HB2 1 43 ALA MB 3.600 . 5.400 4.223 2.902 5.430 0.030 17 0 "[ . 1 . 2]" 1
160 1 13 GLN HB3 1 14 GLY H 2.760 . 3.730 2.672 2.426 3.360 . 0 0 "[ . 1 . 2]" 1
161 1 13 GLN HB3 1 43 ALA MB 3.600 . 5.400 3.103 2.452 4.156 . 0 0 "[ . 1 . 2]" 1
162 1 13 GLN QE 1 17 ILE MD 4.250 . 6.700 3.363 1.894 5.461 . 0 0 "[ . 1 . 2]" 1
163 1 13 GLN HE21 1 17 ILE MD 4.410 . 7.020 3.511 1.904 5.747 . 0 0 "[ . 1 . 2]" 1
164 1 13 GLN HE22 1 17 ILE MD 4.410 . 7.020 4.581 3.371 7.025 0.005 7 0 "[ . 1 . 2]" 1
165 1 13 GLN QG 1 14 GLY H 4.340 . 6.880 3.786 3.476 4.400 . 0 0 "[ . 1 . 2]" 1
166 1 13 GLN QG 1 17 ILE MD 4.130 . 6.460 3.043 2.391 4.924 . 0 0 "[ . 1 . 2]" 1
167 1 13 GLN QG 1 43 ALA MB 3.660 . 5.530 3.087 2.175 4.345 . 0 0 "[ . 1 . 2]" 1
168 1 13 GLN HG2 1 17 ILE MD 4.410 . 7.020 3.658 2.489 5.732 . 0 0 "[ . 1 . 2]" 1
169 1 13 GLN HG2 1 43 ALA MB 3.740 . 5.690 3.465 2.192 5.358 . 0 0 "[ . 1 . 2]" 1
170 1 13 GLN HG3 1 17 ILE MD 4.410 . 7.020 3.647 2.431 6.124 . 0 0 "[ . 1 . 2]" 1
171 1 13 GLN HG3 1 43 ALA MB 3.740 . 5.690 3.820 2.559 5.006 . 0 0 "[ . 1 . 2]" 1
172 1 14 GLY H 1 15 ILE H 2.760 . 3.730 2.775 2.714 2.821 . 0 0 "[ . 1 . 2]" 1
173 1 14 GLY H 1 16 LYS H 3.700 . 5.600 4.124 4.020 4.217 . 0 0 "[ . 1 . 2]" 1
174 1 14 GLY H 1 17 ILE MD 4.410 . 7.020 4.591 4.240 4.798 . 0 0 "[ . 1 . 2]" 1
175 1 14 GLY H 1 43 ALA MB 3.670 . 5.540 3.590 2.710 4.262 . 0 0 "[ . 1 . 2]" 1
176 1 14 GLY QA 1 17 ILE H 3.600 . 5.400 3.476 3.379 3.550 . 0 0 "[ . 1 . 2]" 1
177 1 14 GLY QA 1 17 ILE HB 3.370 . 4.940 3.059 2.825 3.240 . 0 0 "[ . 1 . 2]" 1
178 1 14 GLY QA 1 17 ILE MD 3.580 . 5.370 2.779 2.287 3.113 . 0 0 "[ . 1 . 2]" 1
179 1 14 GLY QA 1 43 ALA MB 3.640 . 5.480 2.828 2.154 3.354 . 0 0 "[ . 1 . 2]" 1
180 1 14 GLY HA2 1 17 ILE MD 3.830 . 5.870 2.811 2.304 3.160 . 0 0 "[ . 1 . 2]" 1
181 1 14 GLY HA2 1 43 ALA MB 3.780 . 5.760 2.955 2.189 3.561 . 0 0 "[ . 1 . 2]" 1
182 1 14 GLY HA3 1 17 ILE MD 3.830 . 5.870 4.360 3.862 4.695 . 0 0 "[ . 1 . 2]" 1
183 1 14 GLY HA3 1 43 ALA MB 3.780 . 5.760 3.640 2.897 4.310 . 0 0 "[ . 1 . 2]" 1
184 1 15 ILE H 1 15 ILE HB 2.490 . 3.190 2.517 2.432 2.578 . 0 0 "[ . 1 . 2]" 1
185 1 15 ILE H 1 15 ILE MD 3.560 . 5.330 3.552 3.257 3.617 . 0 0 "[ . 1 . 2]" 1
186 1 15 ILE H 1 15 ILE HG12 3.750 . 5.710 3.317 2.177 3.482 . 0 0 "[ . 1 . 2]" 1
187 1 15 ILE H 1 15 ILE QG 3.410 . 5.030 2.095 2.006 2.217 . 0 0 "[ . 1 . 2]" 1
188 1 15 ILE H 1 15 ILE HG13 3.750 . 5.710 2.188 2.024 3.629 . 0 0 "[ . 1 . 2]" 1
189 1 15 ILE H 1 16 LYS H 2.620 . 3.440 2.708 2.602 2.780 . 0 0 "[ . 1 . 2]" 1
190 1 15 ILE HA 1 18 LEU H 3.000 . 4.200 3.373 3.255 3.491 . 0 0 "[ . 1 . 2]" 1
191 1 15 ILE HA 1 18 LEU HB2 2.890 . 3.980 2.507 2.396 2.637 . 0 0 "[ . 1 . 2]" 1
192 1 15 ILE HA 1 18 LEU QB 2.740 . 3.690 2.482 2.376 2.605 . 0 0 "[ . 1 . 2]" 1
193 1 15 ILE HA 1 18 LEU HB3 2.890 . 3.980 4.001 3.915 4.053 0.073 17 0 "[ . 1 . 2]" 1
194 1 15 ILE HA 1 18 LEU MD1 3.490 . 5.180 1.920 1.771 2.224 0.029 8 0 "[ . 1 . 2]" 1
195 1 15 ILE HA 1 101 LEU MD1 3.470 . 5.150 3.175 2.693 4.481 . 0 0 "[ . 1 . 2]" 1
196 1 15 ILE HA 1 101 LEU MD2 4.410 . 7.020 4.831 2.758 5.853 . 0 0 "[ . 1 . 2]" 1
197 1 15 ILE HB 1 16 LYS H 2.800 . 3.800 2.612 2.534 2.701 . 0 0 "[ . 1 . 2]" 1
198 1 15 ILE MD 1 16 LYS H 3.870 . 5.940 4.597 4.519 4.689 . 0 0 "[ . 1 . 2]" 1
199 1 15 ILE MD 1 104 GLU HB2 4.080 . 6.370 2.759 1.951 3.034 . 0 0 "[ . 1 . 2]" 1
200 1 15 ILE MD 1 104 GLU QB 3.770 . 5.740 2.297 1.838 2.610 . 0 0 "[ . 1 . 2]" 1
201 1 15 ILE MD 1 104 GLU HB3 4.080 . 6.370 2.496 2.246 3.005 . 0 0 "[ . 1 . 2]" 1
202 1 15 ILE MD 1 105 GLN H 4.120 . 6.440 3.978 3.266 4.435 . 0 0 "[ . 1 . 2]" 1
203 1 15 ILE MD 1 105 GLN HA 3.380 . 4.970 3.355 2.674 4.009 . 0 0 "[ . 1 . 2]" 1
204 1 15 ILE MD 1 105 GLN HG2 3.650 . 5.510 3.546 2.498 4.407 . 0 0 "[ . 1 . 2]" 1
205 1 15 ILE MD 1 105 GLN QG 3.520 . 5.240 3.256 2.382 3.932 . 0 0 "[ . 1 . 2]" 1
206 1 15 ILE MD 1 105 GLN HG3 3.650 . 5.510 3.829 2.945 4.630 . 0 0 "[ . 1 . 2]" 1
207 1 15 ILE MD 1 108 VAL MG2 4.000 . 6.200 2.397 1.923 3.316 . 0 0 "[ . 1 . 2]" 1
208 1 15 ILE QG 1 18 LEU MD1 4.130 . 6.460 2.873 2.572 3.771 . 0 0 "[ . 1 . 2]" 1
209 1 15 ILE QG 1 104 GLU QB 4.030 . 6.260 2.237 1.949 3.156 . 0 0 "[ . 1 . 2]" 1
210 1 15 ILE HG12 1 104 GLU HB2 4.740 . 7.690 2.497 2.144 4.113 . 0 0 "[ . 1 . 2]" 1
211 1 15 ILE HG12 1 104 GLU HB3 4.740 . 7.690 2.942 2.306 3.570 . 0 0 "[ . 1 . 2]" 1
212 1 15 ILE HG13 1 104 GLU HB2 4.740 . 7.690 3.535 2.821 4.419 . 0 0 "[ . 1 . 2]" 1
213 1 15 ILE HG13 1 104 GLU HB3 4.740 . 7.690 3.106 2.716 4.179 . 0 0 "[ . 1 . 2]" 1
214 1 15 ILE MG 1 16 LYS H 3.380 . 4.970 3.389 3.235 3.515 . 0 0 "[ . 1 . 2]" 1
215 1 15 ILE MG 1 16 LYS HA 3.490 . 5.180 3.393 3.214 3.595 . 0 0 "[ . 1 . 2]" 1
216 1 15 ILE MG 1 18 LEU MD1 4.920 . 8.040 3.278 2.892 3.731 . 0 0 "[ . 1 . 2]" 1
217 1 15 ILE MG 1 19 LYS H 4.410 . 7.020 4.042 3.746 4.390 . 0 0 "[ . 1 . 2]" 1
218 1 15 ILE MG 1 19 LYS QD 4.000 . 6.210 3.069 2.061 3.854 . 0 0 "[ . 1 . 2]" 1
219 1 15 ILE MG 1 19 LYS QE 4.150 . 6.500 3.498 2.010 5.027 . 0 0 "[ . 1 . 2]" 1
220 1 15 ILE MG 1 19 LYS QG 4.220 . 6.640 2.832 2.430 4.058 . 0 0 "[ . 1 . 2]" 1
221 1 15 ILE MG 1 101 LEU HG 4.170 . 6.550 4.089 2.486 5.353 . 0 0 "[ . 1 . 2]" 1
222 1 15 ILE MG 1 104 GLU QB 4.270 . 6.750 3.817 3.313 4.472 . 0 0 "[ . 1 . 2]" 1
223 1 15 ILE MG 1 105 GLN QE 4.480 . 7.160 4.310 3.299 5.467 . 0 0 "[ . 1 . 2]" 1
224 1 15 ILE MG 1 105 GLN HG2 3.690 . 5.580 4.251 3.506 5.354 . 0 0 "[ . 1 . 2]" 1
225 1 15 ILE MG 1 105 GLN QG 3.600 . 5.400 3.832 3.210 4.782 . 0 0 "[ . 1 . 2]" 1
226 1 15 ILE MG 1 105 GLN HG3 3.690 . 5.580 4.363 3.683 5.381 . 0 0 "[ . 1 . 2]" 1
227 1 16 LYS H 1 16 LYS HB2 2.490 . 3.190 2.434 2.035 2.713 . 0 0 "[ . 1 . 2]" 1
228 1 16 LYS H 1 16 LYS HB3 2.490 . 3.190 2.620 2.285 3.333 0.143 7 0 "[ . 1 . 2]" 1
229 1 16 LYS H 1 16 LYS QD 4.340 . 6.880 4.364 4.127 4.697 . 0 0 "[ . 1 . 2]" 1
230 1 16 LYS H 1 16 LYS HG2 3.720 . 5.640 4.383 3.230 4.588 . 0 0 "[ . 1 . 2]" 1
231 1 16 LYS H 1 16 LYS QG 3.490 . 5.190 3.920 3.125 4.028 . 0 0 "[ . 1 . 2]" 1
232 1 16 LYS H 1 16 LYS HG3 3.720 . 5.640 4.443 4.157 4.592 . 0 0 "[ . 1 . 2]" 1
233 1 16 LYS H 1 17 ILE H 2.570 . 3.340 2.748 2.655 2.827 . 0 0 "[ . 1 . 2]" 1
234 1 16 LYS HB2 1 17 ILE H 2.800 . 3.800 3.744 2.975 3.887 0.087 20 0 "[ . 1 . 2]" 1
235 1 16 LYS HB3 1 17 ILE H 2.800 . 3.800 2.530 2.431 2.938 . 0 0 "[ . 1 . 2]" 1
236 1 16 LYS HG2 1 17 ILE H 3.900 . 6.000 4.057 3.044 4.952 . 0 0 "[ . 1 . 2]" 1
237 1 16 LYS HG3 1 17 ILE H 3.900 . 6.000 4.725 3.618 5.078 . 0 0 "[ . 1 . 2]" 1
238 1 17 ILE H 1 17 ILE HB 2.530 . 3.260 2.573 2.502 2.650 . 0 0 "[ . 1 . 2]" 1
239 1 17 ILE H 1 17 ILE MD 3.540 . 5.290 3.568 3.466 3.649 . 0 0 "[ . 1 . 2]" 1
240 1 17 ILE H 1 17 ILE HG12 2.850 . 3.910 3.348 3.243 3.411 . 0 0 "[ . 1 . 2]" 1
241 1 17 ILE H 1 17 ILE QG 2.740 . 3.680 2.064 1.962 2.171 . 0 0 "[ . 1 . 2]" 1
242 1 17 ILE H 1 17 ILE HG13 2.850 . 3.910 2.084 1.978 2.196 . 0 0 "[ . 1 . 2]" 1
243 1 17 ILE H 1 17 ILE MG 3.330 . 4.860 3.778 3.771 3.794 . 0 0 "[ . 1 . 2]" 1
244 1 17 ILE H 1 18 LEU H 2.600 . 3.410 2.618 2.555 2.701 . 0 0 "[ . 1 . 2]" 1
245 1 17 ILE HA 1 17 ILE HG12 2.890 . 3.980 2.553 2.448 2.635 . 0 0 "[ . 1 . 2]" 1
246 1 17 ILE HA 1 17 ILE HG13 2.890 . 3.980 3.040 2.994 3.096 . 0 0 "[ . 1 . 2]" 1
247 1 17 ILE HA 1 20 GLU H 3.020 . 4.240 3.344 3.050 3.629 . 0 0 "[ . 1 . 2]" 1
248 1 17 ILE HA 1 20 GLU QB 3.190 . 4.580 2.946 2.469 3.320 . 0 0 "[ . 1 . 2]" 1
249 1 17 ILE HA 1 20 GLU QG 4.050 . 6.300 3.104 2.098 4.474 . 0 0 "[ . 1 . 2]" 1
250 1 17 ILE HA 1 36 LEU MD2 4.150 . 6.510 4.153 3.254 5.383 . 0 0 "[ . 1 . 2]" 1
251 1 17 ILE HB 1 18 LEU H 2.490 . 3.190 2.668 2.494 2.808 . 0 0 "[ . 1 . 2]" 1
252 1 17 ILE HB 1 40 ILE MD 3.720 . 5.650 4.059 3.373 5.652 0.002 17 0 "[ . 1 . 2]" 1
253 1 17 ILE MD 1 18 LEU H 3.710 . 5.620 4.601 4.381 4.789 . 0 0 "[ . 1 . 2]" 1
254 1 17 ILE MD 1 39 GLU HA 3.830 . 5.870 4.132 3.508 4.783 . 0 0 "[ . 1 . 2]" 1
255 1 17 ILE MD 1 39 GLU HB2 3.890 . 5.980 3.359 2.497 4.880 . 0 0 "[ . 1 . 2]" 1
256 1 17 ILE MD 1 39 GLU QB 3.570 . 5.350 2.442 1.781 3.985 0.009 10 0 "[ . 1 . 2]" 1
257 1 17 ILE MD 1 39 GLU HB3 3.890 . 5.980 2.533 1.797 4.226 0.003 10 0 "[ . 1 . 2]" 1
258 1 17 ILE MD 1 39 GLU QG 4.790 . 7.790 3.440 1.995 4.460 . 0 0 "[ . 1 . 2]" 1
259 1 17 ILE MD 1 40 ILE H 4.410 . 7.020 3.744 3.299 5.226 . 0 0 "[ . 1 . 2]" 1
260 1 17 ILE MD 1 43 ALA H 4.160 . 6.520 3.959 3.592 4.676 . 0 0 "[ . 1 . 2]" 1
261 1 17 ILE MD 1 43 ALA MB 3.930 . 6.060 2.321 1.820 2.869 . 0 0 "[ . 1 . 2]" 1
262 1 17 ILE QG 1 39 GLU QB 4.490 . 7.180 3.942 3.261 5.303 . 0 0 "[ . 1 . 2]" 1
263 1 17 ILE MG 1 18 LEU H 3.270 . 4.750 3.534 3.451 3.691 . 0 0 "[ . 1 . 2]" 1
264 1 17 ILE MG 1 18 LEU HA 3.740 . 5.690 3.582 3.456 3.737 . 0 0 "[ . 1 . 2]" 1
265 1 17 ILE MG 1 18 LEU MD2 4.920 . 8.040 3.774 3.578 4.068 . 0 0 "[ . 1 . 2]" 1
266 1 17 ILE MG 1 20 GLU H 3.380 . 4.970 4.356 4.223 4.518 . 0 0 "[ . 1 . 2]" 1
267 1 17 ILE MG 1 20 GLU QB 4.320 . 6.850 3.339 2.957 3.796 . 0 0 "[ . 1 . 2]" 1
268 1 17 ILE MG 1 21 VAL H 4.410 . 7.020 3.848 3.644 4.097 . 0 0 "[ . 1 . 2]" 1
269 1 17 ILE MG 1 21 VAL MG2 4.770 . 7.750 2.362 1.907 2.713 . 0 0 "[ . 1 . 2]" 1
270 1 17 ILE MG 1 36 LEU HA 4.320 . 6.840 3.388 2.745 4.438 . 0 0 "[ . 1 . 2]" 1
271 1 17 ILE MG 1 39 GLU H 3.540 . 5.290 4.567 4.120 5.297 0.007 17 0 "[ . 1 . 2]" 1
272 1 17 ILE MG 1 39 GLU HA 4.410 . 7.020 4.937 4.184 5.470 . 0 0 "[ . 1 . 2]" 1
273 1 17 ILE MG 1 39 GLU HB2 3.580 . 5.360 3.240 2.117 4.540 . 0 0 "[ . 1 . 2]" 1
274 1 17 ILE MG 1 39 GLU QB 3.470 . 5.140 2.692 2.022 3.104 . 0 0 "[ . 1 . 2]" 1
275 1 17 ILE MG 1 39 GLU HB3 3.580 . 5.360 3.131 2.354 3.956 . 0 0 "[ . 1 . 2]" 1
276 1 17 ILE MG 1 39 GLU QG 4.090 . 6.390 3.792 2.245 4.766 . 0 0 "[ . 1 . 2]" 1
277 1 17 ILE MG 1 40 ILE H 3.380 . 4.970 3.305 2.965 4.028 . 0 0 "[ . 1 . 2]" 1
278 1 17 ILE MG 1 40 ILE QG 3.780 . 5.770 2.137 1.948 2.826 . 0 0 "[ . 1 . 2]" 1
279 1 17 ILE MG 1 40 ILE MG 4.920 . 8.040 3.986 3.802 4.244 . 0 0 "[ . 1 . 2]" 1
280 1 18 LEU H 1 18 LEU HB2 2.760 . 3.730 2.481 2.414 2.538 . 0 0 "[ . 1 . 2]" 1
281 1 18 LEU H 1 18 LEU QB 2.640 . 3.480 2.439 2.378 2.490 . 0 0 "[ . 1 . 2]" 1
282 1 18 LEU H 1 18 LEU HB3 2.760 . 3.730 3.589 3.576 3.604 . 0 0 "[ . 1 . 2]" 1
283 1 18 LEU H 1 18 LEU MD1 3.290 . 4.790 3.592 3.537 3.641 . 0 0 "[ . 1 . 2]" 1
284 1 18 LEU H 1 18 LEU MD2 3.430 . 5.070 3.339 3.230 3.483 . 0 0 "[ . 1 . 2]" 1
285 1 18 LEU H 1 18 LEU HG 3.110 . 4.420 2.277 2.179 2.403 . 0 0 "[ . 1 . 2]" 1
286 1 18 LEU H 1 19 LYS H 2.800 . 3.800 2.750 2.718 2.790 . 0 0 "[ . 1 . 2]" 1
287 1 18 LEU HA 1 18 LEU MD1 3.620 . 5.440 3.862 3.836 3.884 . 0 0 "[ . 1 . 2]" 1
288 1 18 LEU HA 1 18 LEU MD2 2.950 . 4.100 2.030 1.955 2.092 . 0 0 "[ . 1 . 2]" 1
289 1 18 LEU HA 1 18 LEU HG 2.940 . 4.090 3.056 2.962 3.131 . 0 0 "[ . 1 . 2]" 1
290 1 18 LEU HA 1 21 VAL H 2.960 . 4.130 3.342 3.118 3.521 . 0 0 "[ . 1 . 2]" 1
291 1 18 LEU HA 1 21 VAL HB 2.580 . 3.370 2.700 2.199 3.190 . 0 0 "[ . 1 . 2]" 1
292 1 18 LEU HA 1 21 VAL MG1 3.920 . 6.050 3.962 3.547 4.307 . 0 0 "[ . 1 . 2]" 1
293 1 18 LEU HA 1 21 VAL MG2 3.400 . 5.000 2.587 2.188 3.000 . 0 0 "[ . 1 . 2]" 1
294 1 18 LEU HA 1 40 ILE MD 4.050 . 6.300 3.229 2.763 3.855 . 0 0 "[ . 1 . 2]" 1
295 1 18 LEU HA 1 97 VAL QG 5.180 . 8.570 3.142 2.633 4.878 . 0 0 "[ . 1 . 2]" 1
296 1 18 LEU HB2 1 19 LYS H 3.050 . 4.310 2.668 2.511 2.754 . 0 0 "[ . 1 . 2]" 1
297 1 18 LEU HB3 1 19 LYS H 3.050 . 4.310 3.637 3.499 3.708 . 0 0 "[ . 1 . 2]" 1
298 1 18 LEU MD1 1 40 ILE QG 4.450 . 7.110 4.900 4.438 5.240 . 0 0 "[ . 1 . 2]" 1
299 1 18 LEU MD1 1 97 VAL QG 5.440 . 9.080 3.439 3.050 4.918 . 0 0 "[ . 1 . 2]" 1
300 1 18 LEU MD1 1 100 HIS HD1 3.580 . 5.360 3.895 3.477 4.269 . 0 0 "[ . 1 . 2]" 1
301 1 18 LEU MD1 1 100 HIS HD2 2.610 . 3.420 3.008 2.594 3.422 0.002 9 0 "[ . 1 . 2]" 1
302 1 18 LEU MD1 1 101 LEU H 3.990 . 6.190 3.264 2.957 3.741 . 0 0 "[ . 1 . 2]" 1
303 1 18 LEU MD1 1 101 LEU HA 3.130 . 4.460 2.432 1.957 3.071 . 0 0 "[ . 1 . 2]" 1
304 1 18 LEU MD1 1 101 LEU MD1 4.340 . 6.890 2.650 2.247 3.853 . 0 0 "[ . 1 . 2]" 1
305 1 18 LEU MD1 1 104 GLU QB 4.850 . 7.900 3.379 3.057 3.970 . 0 0 "[ . 1 . 2]" 1
306 1 18 LEU MD1 1 104 GLU HG2 3.830 . 5.870 3.339 2.951 3.739 . 0 0 "[ . 1 . 2]" 1
307 1 18 LEU MD1 1 104 GLU QG 3.600 . 5.400 2.418 2.128 2.874 . 0 0 "[ . 1 . 2]" 1
308 1 18 LEU MD1 1 104 GLU HG3 3.830 . 5.870 2.485 2.170 2.995 . 0 0 "[ . 1 . 2]" 1
309 1 18 LEU MD2 1 19 LYS H 4.410 . 7.020 4.697 4.642 4.738 . 0 0 "[ . 1 . 2]" 1
310 1 18 LEU MD2 1 21 VAL HB 3.850 . 5.900 3.683 3.157 4.138 . 0 0 "[ . 1 . 2]" 1
311 1 18 LEU MD2 1 21 VAL MG1 4.920 . 8.040 3.850 3.210 4.288 . 0 0 "[ . 1 . 2]" 1
312 1 18 LEU MD2 1 21 VAL MG2 4.740 . 7.680 3.041 2.550 3.468 . 0 0 "[ . 1 . 2]" 1
313 1 18 LEU MD2 1 40 ILE MD 3.980 . 6.170 2.130 1.851 2.711 . 0 0 "[ . 1 . 2]" 1
314 1 18 LEU MD2 1 40 ILE HG12 4.240 . 6.690 3.114 2.702 3.623 . 0 0 "[ . 1 . 2]" 1
315 1 18 LEU MD2 1 40 ILE QG 3.940 . 6.080 3.032 2.652 3.461 . 0 0 "[ . 1 . 2]" 1
316 1 18 LEU MD2 1 40 ILE HG13 4.240 . 6.690 4.192 3.856 4.409 . 0 0 "[ . 1 . 2]" 1
317 1 18 LEU MD2 1 40 ILE MG 4.450 . 7.100 2.739 2.522 3.297 . 0 0 "[ . 1 . 2]" 1
318 1 18 LEU MD2 1 97 VAL HA 4.190 . 6.590 3.625 3.124 4.336 . 0 0 "[ . 1 . 2]" 1
319 1 18 LEU MD2 1 97 VAL MG1 4.830 . 7.860 2.463 1.791 4.651 0.009 19 0 "[ . 1 . 2]" 1
320 1 18 LEU MD2 1 97 VAL QG 4.340 . 6.890 2.110 1.781 3.778 0.009 19 0 "[ . 1 . 2]" 1
321 1 18 LEU MD2 1 97 VAL MG2 4.830 . 7.860 3.310 2.019 4.642 . 0 0 "[ . 1 . 2]" 1
322 1 18 LEU MD2 1 100 HIS QB 4.290 . 6.780 2.756 2.383 3.097 . 0 0 "[ . 1 . 2]" 1
323 1 18 LEU MD2 1 100 HIS HD1 4.410 . 7.020 2.897 2.697 3.127 . 0 0 "[ . 1 . 2]" 1
324 1 18 LEU MD2 1 100 HIS HE1 2.610 . 3.420 3.432 3.136 3.534 0.114 11 0 "[ . 1 . 2]" 1
325 1 18 LEU MD2 1 101 LEU H 4.120 . 6.440 4.295 3.779 4.806 . 0 0 "[ . 1 . 2]" 1
326 1 18 LEU MD2 1 101 LEU QB 4.340 . 6.890 4.481 3.811 5.548 . 0 0 "[ . 1 . 2]" 1
327 1 18 LEU HG 1 40 ILE MD 3.530 . 5.260 3.891 3.267 4.927 . 0 0 "[ . 1 . 2]" 1
328 1 19 LYS H 1 19 LYS QB 2.850 . 3.900 2.428 2.303 2.574 . 0 0 "[ . 1 . 2]" 1
329 1 19 LYS H 1 19 LYS QD 4.030 . 6.270 3.610 2.251 4.082 . 0 0 "[ . 1 . 2]" 1
330 1 19 LYS H 1 19 LYS HG2 3.430 . 5.060 3.226 1.978 4.210 . 0 0 "[ . 1 . 2]" 1
331 1 19 LYS H 1 19 LYS QG 3.210 . 4.630 2.285 1.967 3.284 . 0 0 "[ . 1 . 2]" 1
332 1 19 LYS H 1 19 LYS HG3 3.430 . 5.060 2.652 2.058 3.818 . 0 0 "[ . 1 . 2]" 1
333 1 19 LYS H 1 20 GLU H 2.550 . 3.300 2.694 2.583 2.781 . 0 0 "[ . 1 . 2]" 1
334 1 19 LYS H 1 101 LEU MD1 3.350 . 4.900 3.827 3.362 4.977 0.077 5 0 "[ . 1 . 2]" 1
335 1 19 LYS H 1 101 LEU MD2 4.390 . 6.980 4.640 2.985 5.615 . 0 0 "[ . 1 . 2]" 1
336 1 19 LYS HA 1 19 LYS QD 3.730 . 5.660 3.588 1.990 4.243 . 0 0 "[ . 1 . 2]" 1
337 1 19 LYS HA 1 19 LYS QG 2.820 . 3.850 2.531 2.209 2.990 . 0 0 "[ . 1 . 2]" 1
338 1 19 LYS HA 1 22 LEU H 3.030 . 4.270 3.575 3.366 4.002 . 0 0 "[ . 1 . 2]" 1
339 1 19 LYS HA 1 22 LEU QB 3.380 . 4.970 3.254 2.780 4.484 . 0 0 "[ . 1 . 2]" 1
340 1 19 LYS HA 1 22 LEU MD1 3.780 . 5.760 2.423 1.978 3.641 . 0 0 "[ . 1 . 2]" 1
341 1 19 LYS HA 1 22 LEU QD 3.460 . 5.130 2.281 1.975 2.654 . 0 0 "[ . 1 . 2]" 1
342 1 19 LYS HA 1 22 LEU MD2 3.780 . 5.760 4.240 2.159 4.793 . 0 0 "[ . 1 . 2]" 1
343 1 19 LYS HA 1 101 LEU MD2 4.260 . 6.730 3.972 3.180 5.926 . 0 0 "[ . 1 . 2]" 1
344 1 19 LYS QB 1 20 GLU H 2.900 . 4.010 2.581 2.416 2.750 . 0 0 "[ . 1 . 2]" 1
345 1 19 LYS HB2 1 20 GLU H 3.180 . 4.560 2.645 2.453 2.839 . 0 0 "[ . 1 . 2]" 1
346 1 19 LYS HB3 1 20 GLU H 3.180 . 4.560 3.615 3.450 3.743 . 0 0 "[ . 1 . 2]" 1
347 1 19 LYS QG 1 20 GLU H 4.100 . 6.410 4.114 3.832 4.528 . 0 0 "[ . 1 . 2]" 1
348 1 19 LYS QG 1 101 LEU MD2 4.020 . 6.240 3.699 2.128 5.102 . 0 0 "[ . 1 . 2]" 1
349 1 20 GLU H 1 20 GLU HG2 3.070 . 4.340 2.658 1.883 4.284 . 0 0 "[ . 1 . 2]" 1
350 1 20 GLU H 1 20 GLU QG 2.860 . 3.920 2.429 1.874 3.831 . 0 0 "[ . 1 . 2]" 1
351 1 20 GLU H 1 20 GLU HG3 3.070 . 4.340 3.562 2.336 4.337 . 0 0 "[ . 1 . 2]" 1
352 1 20 GLU H 1 21 VAL H 2.490 . 3.190 2.545 2.461 2.640 . 0 0 "[ . 1 . 2]" 1
353 1 20 GLU H 1 22 LEU H 3.430 . 5.060 4.156 4.023 4.422 . 0 0 "[ . 1 . 2]" 1
354 1 20 GLU HA 1 20 GLU QG 2.870 . 3.940 2.821 2.351 3.096 . 0 0 "[ . 1 . 2]" 1
355 1 20 GLU HA 1 24 LYS H 3.320 . 4.850 4.345 3.785 4.682 . 0 0 "[ . 1 . 2]" 1
356 1 20 GLU HA 1 36 LEU MD1 4.340 . 6.880 4.655 4.114 5.900 . 0 0 "[ . 1 . 2]" 1
357 1 20 GLU HA 1 36 LEU MD2 4.010 . 6.230 5.289 4.510 6.134 . 0 0 "[ . 1 . 2]" 1
358 1 20 GLU QB 1 21 VAL MG2 4.650 . 7.500 3.307 3.068 3.613 . 0 0 "[ . 1 . 2]" 1
359 1 20 GLU QB 1 36 LEU MD1 3.890 . 5.990 2.990 2.422 4.514 . 0 0 "[ . 1 . 2]" 1
360 1 20 GLU QB 1 36 LEU MD2 3.730 . 5.670 2.908 2.200 3.695 . 0 0 "[ . 1 . 2]" 1
361 1 20 GLU QB 1 40 ILE MD 4.850 . 7.900 5.657 4.999 6.202 . 0 0 "[ . 1 . 2]" 1
362 1 20 GLU QG 1 21 VAL H 4.340 . 6.880 4.115 3.711 4.682 . 0 0 "[ . 1 . 2]" 1
363 1 20 GLU QG 1 36 LEU MD2 3.510 . 5.230 3.995 3.112 5.062 . 0 0 "[ . 1 . 2]" 1
364 1 21 VAL H 1 21 VAL HB 2.620 . 3.440 2.533 2.453 2.606 . 0 0 "[ . 1 . 2]" 1
365 1 21 VAL H 1 21 VAL MG2 2.860 . 3.920 2.091 1.969 2.211 . 0 0 "[ . 1 . 2]" 1
366 1 21 VAL H 1 22 LEU H 2.600 . 3.410 2.711 2.643 2.852 . 0 0 "[ . 1 . 2]" 1
367 1 21 VAL H 1 23 LYS H 3.590 . 5.390 4.187 3.863 4.578 . 0 0 "[ . 1 . 2]" 1
368 1 21 VAL H 1 36 LEU MD1 3.200 . 4.610 3.406 2.863 4.398 . 0 0 "[ . 1 . 2]" 1
369 1 21 VAL HA 1 24 LYS H 3.250 . 4.700 3.324 3.163 3.531 . 0 0 "[ . 1 . 2]" 1
370 1 21 VAL HA 1 24 LYS HB2 2.980 . 4.160 2.804 2.502 4.172 0.012 17 0 "[ . 1 . 2]" 1
371 1 21 VAL HA 1 24 LYS HB3 2.980 . 4.160 4.038 2.936 4.275 0.115 20 0 "[ . 1 . 2]" 1
372 1 21 VAL HA 1 33 LEU MD2 3.490 . 5.180 3.336 2.638 4.242 . 0 0 "[ . 1 . 2]" 1
373 1 21 VAL HA 1 36 LEU MD1 3.150 . 4.500 2.128 1.739 2.825 0.061 10 0 "[ . 1 . 2]" 1
374 1 21 VAL HA 1 36 LEU MD2 4.350 . 6.910 4.147 3.023 5.090 . 0 0 "[ . 1 . 2]" 1
375 1 21 VAL HA 1 97 VAL QG 5.180 . 8.570 4.609 4.137 5.462 . 0 0 "[ . 1 . 2]" 1
376 1 21 VAL HB 1 22 LEU H 2.710 . 3.620 2.634 2.504 2.765 . 0 0 "[ . 1 . 2]" 1
377 1 21 VAL HB 1 36 LEU MD1 3.740 . 5.690 4.154 3.750 4.514 . 0 0 "[ . 1 . 2]" 1
378 1 21 VAL HB 1 36 LEU MD2 4.140 . 6.480 5.483 4.404 6.065 . 0 0 "[ . 1 . 2]" 1
379 1 21 VAL HB 1 40 ILE MD 4.230 . 6.660 3.768 3.354 4.314 . 0 0 "[ . 1 . 2]" 1
380 1 21 VAL HB 1 97 VAL MG1 4.410 . 7.020 2.882 2.118 4.864 . 0 0 "[ . 1 . 2]" 1
381 1 21 VAL HB 1 97 VAL QG 3.990 . 6.180 2.600 2.065 3.568 . 0 0 "[ . 1 . 2]" 1
382 1 21 VAL HB 1 97 VAL MG2 4.410 . 7.020 3.458 2.077 4.388 . 0 0 "[ . 1 . 2]" 1
383 1 21 VAL MG1 1 22 LEU H 3.510 . 5.220 3.421 3.104 3.549 . 0 0 "[ . 1 . 2]" 1
384 1 21 VAL MG1 1 22 LEU HA 3.960 . 6.120 3.448 3.247 3.666 . 0 0 "[ . 1 . 2]" 1
385 1 21 VAL MG1 1 25 ALA MB 4.590 . 7.390 2.859 2.483 3.420 . 0 0 "[ . 1 . 2]" 1
386 1 21 VAL MG1 1 36 LEU QB 4.090 . 6.390 3.371 2.567 3.897 . 0 0 "[ . 1 . 2]" 1
387 1 21 VAL MG1 1 93 PHE QE 4.030 . 6.270 2.095 1.789 2.925 0.001 13 0 "[ . 1 . 2]" 1
388 1 21 VAL MG1 1 93 PHE HZ 2.610 . 3.420 2.889 2.301 3.176 . 0 0 "[ . 1 . 2]" 1
389 1 21 VAL MG1 1 97 VAL QG 5.240 . 8.690 2.112 1.764 2.817 0.026 13 0 "[ . 1 . 2]" 1
390 1 21 VAL MG2 1 22 LEU H 3.630 . 5.470 3.849 3.769 3.960 . 0 0 "[ . 1 . 2]" 1
391 1 21 VAL MG2 1 33 LEU HA 3.850 . 5.900 4.242 3.496 5.070 . 0 0 "[ . 1 . 2]" 1
392 1 21 VAL MG2 1 36 LEU HB2 3.290 . 4.790 2.804 2.421 3.642 . 0 0 "[ . 1 . 2]" 1
393 1 21 VAL MG2 1 36 LEU QB 3.180 . 4.560 1.954 1.745 2.292 0.055 4 0 "[ . 1 . 2]" 1
394 1 21 VAL MG2 1 36 LEU HB3 3.290 . 4.790 2.005 1.761 2.468 0.029 4 0 "[ . 1 . 2]" 1
395 1 21 VAL MG2 1 36 LEU MD1 4.020 . 6.240 2.164 1.800 2.584 0.000 10 0 "[ . 1 . 2]" 1
396 1 21 VAL MG2 1 40 ILE MD 3.960 . 6.130 1.848 1.706 2.146 0.084 7 0 "[ . 1 . 2]" 1
397 1 21 VAL MG2 1 93 PHE HZ 2.970 . 4.140 3.901 3.053 4.187 0.047 2 0 "[ . 1 . 2]" 1
398 1 22 LEU H 1 22 LEU MD1 3.490 . 5.180 3.599 3.520 3.714 . 0 0 "[ . 1 . 2]" 1
399 1 22 LEU H 1 22 LEU QD 3.230 . 4.670 3.034 2.778 3.155 . 0 0 "[ . 1 . 2]" 1
400 1 22 LEU H 1 22 LEU MD2 3.490 . 5.180 3.277 2.884 3.507 . 0 0 "[ . 1 . 2]" 1
401 1 22 LEU H 1 22 LEU HG 2.400 . 3.010 2.246 2.067 2.395 . 0 0 "[ . 1 . 2]" 1
402 1 22 LEU H 1 23 LYS H 2.580 . 3.370 2.725 2.526 2.894 . 0 0 "[ . 1 . 2]" 1
403 1 22 LEU H 1 24 LYS H 3.500 . 5.210 4.217 4.073 4.341 . 0 0 "[ . 1 . 2]" 1
404 1 22 LEU HA 1 22 LEU HG 2.840 . 3.880 3.127 2.936 3.708 . 0 0 "[ . 1 . 2]" 1
405 1 22 LEU HA 1 25 ALA H 3.030 . 4.270 3.607 3.251 3.914 . 0 0 "[ . 1 . 2]" 1
406 1 22 LEU HA 1 25 ALA MB 3.740 . 5.690 2.748 2.400 3.181 . 0 0 "[ . 1 . 2]" 1
407 1 22 LEU HA 1 97 VAL QG 4.430 . 7.060 3.593 2.268 4.346 . 0 0 "[ . 1 . 2]" 1
408 1 22 LEU QD 1 23 LYS H 4.640 . 7.490 3.931 2.472 4.144 . 0 0 "[ . 1 . 2]" 1
409 1 22 LEU QD 1 25 ALA MB 5.690 . 9.590 3.655 3.169 4.400 . 0 0 "[ . 1 . 2]" 1
410 1 22 LEU QD 1 98 GLN H 4.530 . 7.270 3.595 2.914 5.331 . 0 0 "[ . 1 . 2]" 1
411 1 22 LEU QD 1 98 GLN QG 3.860 . 5.930 2.915 1.861 4.229 . 0 0 "[ . 1 . 2]" 1
412 1 22 LEU MD1 1 98 GLN HG2 4.710 . 7.630 4.218 2.477 6.018 . 0 0 "[ . 1 . 2]" 1
413 1 22 LEU MD1 1 98 GLN HG3 4.710 . 7.630 4.782 3.501 6.422 . 0 0 "[ . 1 . 2]" 1
414 1 22 LEU MD2 1 98 GLN HG2 4.710 . 7.630 3.405 2.249 5.881 . 0 0 "[ . 1 . 2]" 1
415 1 22 LEU MD2 1 98 GLN HG3 4.710 . 7.630 3.604 2.105 5.337 . 0 0 "[ . 1 . 2]" 1
416 1 22 LEU HG 1 23 LYS H 3.540 . 5.280 4.165 2.285 4.492 . 0 0 "[ . 1 . 2]" 1
417 1 22 LEU HG 1 97 VAL QG 4.100 . 6.410 3.000 2.175 3.897 . 0 0 "[ . 1 . 2]" 1
418 1 23 LYS H 1 23 LYS QD 4.340 . 6.880 3.821 3.448 4.309 . 0 0 "[ . 1 . 2]" 1
419 1 23 LYS H 1 23 LYS QE 4.340 . 6.880 4.345 3.115 5.820 . 0 0 "[ . 1 . 2]" 1
420 1 23 LYS H 1 23 LYS HG2 3.290 . 4.780 3.346 1.966 4.522 . 0 0 "[ . 1 . 2]" 1
421 1 23 LYS H 1 23 LYS QG 3.030 . 4.260 2.444 1.953 4.009 . 0 0 "[ . 1 . 2]" 1
422 1 23 LYS H 1 23 LYS HG3 3.290 . 4.780 2.794 1.968 4.562 . 0 0 "[ . 1 . 2]" 1
423 1 23 LYS H 1 24 LYS H 2.490 . 3.190 2.607 2.516 2.737 . 0 0 "[ . 1 . 2]" 1
424 1 23 LYS H 1 25 ALA H 3.480 . 5.170 3.951 3.849 4.204 . 0 0 "[ . 1 . 2]" 1
425 1 23 LYS HA 1 23 LYS QD 3.240 . 4.690 3.499 1.963 4.228 . 0 0 "[ . 1 . 2]" 1
426 1 23 LYS HA 1 23 LYS HG2 2.820 . 3.840 2.724 2.416 3.667 . 0 0 "[ . 1 . 2]" 1
427 1 23 LYS HA 1 23 LYS QG 2.660 . 3.520 2.550 2.335 2.943 . 0 0 "[ . 1 . 2]" 1
428 1 23 LYS HA 1 23 LYS HG3 2.820 . 3.840 3.229 2.642 3.863 0.023 2 0 "[ . 1 . 2]" 1
429 1 23 LYS QG 1 24 LYS H 4.340 . 6.880 4.019 3.784 4.442 . 0 0 "[ . 1 . 2]" 1
430 1 24 LYS H 1 24 LYS HB2 2.870 . 3.950 2.329 2.170 2.695 . 0 0 "[ . 1 . 2]" 1
431 1 24 LYS H 1 24 LYS QB 2.780 . 3.760 2.268 2.149 2.422 . 0 0 "[ . 1 . 2]" 1
432 1 24 LYS H 1 24 LYS HB3 2.870 . 3.950 3.406 2.421 3.597 . 0 0 "[ . 1 . 2]" 1
433 1 24 LYS H 1 24 LYS QD 4.340 . 6.880 3.479 2.082 4.492 . 0 0 "[ . 1 . 2]" 1
434 1 24 LYS H 1 24 LYS HG2 3.300 . 4.810 3.404 2.265 4.626 . 0 0 "[ . 1 . 2]" 1
435 1 24 LYS H 1 24 LYS QG 3.160 . 4.530 3.001 2.243 4.072 . 0 0 "[ . 1 . 2]" 1
436 1 24 LYS H 1 24 LYS HG3 3.300 . 4.810 3.767 2.408 4.547 . 0 0 "[ . 1 . 2]" 1
437 1 24 LYS H 1 25 ALA H 2.620 . 3.440 2.514 2.377 2.629 . 0 0 "[ . 1 . 2]" 1
438 1 24 LYS H 1 33 LEU MD1 4.370 . 6.950 6.142 5.255 6.988 0.038 8 0 "[ . 1 . 2]" 1
439 1 24 LYS H 1 33 LEU MD2 4.120 . 6.440 4.481 3.869 5.464 . 0 0 "[ . 1 . 2]" 1
440 1 24 LYS HA 1 24 LYS QD 4.070 . 6.340 2.456 1.742 4.009 0.058 2 0 "[ . 1 . 2]" 1
441 1 24 LYS HA 1 27 GLU H 2.690 . 3.590 3.086 2.881 3.445 . 0 0 "[ . 1 . 2]" 1
442 1 24 LYS HA 1 27 GLU HB2 2.960 . 4.130 2.465 1.960 3.057 . 0 0 "[ . 1 . 2]" 1
443 1 24 LYS HA 1 27 GLU QB 2.890 . 3.980 2.440 1.951 2.979 . 0 0 "[ . 1 . 2]" 1
444 1 24 LYS HA 1 27 GLU HB3 2.960 . 4.130 3.982 3.543 4.210 0.080 8 0 "[ . 1 . 2]" 1
445 1 24 LYS HA 1 33 LEU MD2 3.940 . 6.080 4.764 4.004 5.937 . 0 0 "[ . 1 . 2]" 1
446 1 24 LYS HB2 1 25 ALA H 3.320 . 4.850 3.209 2.776 4.094 . 0 0 "[ . 1 . 2]" 1
447 1 24 LYS HB3 1 25 ALA H 3.320 . 4.850 3.652 2.710 3.969 . 0 0 "[ . 1 . 2]" 1
448 1 24 LYS QD 1 25 ALA H 4.340 . 6.880 4.786 4.316 5.370 . 0 0 "[ . 1 . 2]" 1
449 1 24 LYS QE 1 36 LEU MD1 4.850 . 7.900 3.839 2.770 4.681 . 0 0 "[ . 1 . 2]" 1
450 1 24 LYS QE 1 36 LEU MD2 4.850 . 7.900 4.676 2.338 6.382 . 0 0 "[ . 1 . 2]" 1
451 1 24 LYS QG 1 36 LEU MD1 3.530 . 5.270 2.383 1.772 3.355 0.018 2 0 "[ . 1 . 2]" 1
452 1 24 LYS QG 1 36 LEU MD2 4.110 . 6.420 4.004 3.316 5.130 . 0 0 "[ . 1 . 2]" 1
453 1 25 ALA H 1 26 LYS H 2.660 . 3.520 2.611 2.493 2.790 . 0 0 "[ . 1 . 2]" 1
454 1 25 ALA H 1 33 LEU MD2 3.270 . 4.750 3.316 2.733 4.437 . 0 0 "[ . 1 . 2]" 1
455 1 25 ALA HA 1 28 GLY H 2.780 . 3.770 3.362 3.168 3.803 0.033 5 0 "[ . 1 . 2]" 1
456 1 25 ALA HA 1 33 LEU MD1 3.220 . 4.640 2.481 1.775 3.654 0.025 19 0 "[ . 1 . 2]" 1
457 1 25 ALA HA 1 33 LEU MD2 3.290 . 4.790 2.644 2.147 3.957 . 0 0 "[ . 1 . 2]" 1
458 1 25 ALA MB 1 28 GLY H 4.050 . 6.300 4.534 4.348 4.757 . 0 0 "[ . 1 . 2]" 1
459 1 25 ALA MB 1 33 LEU MD1 4.590 . 7.390 3.360 2.443 4.582 . 0 0 "[ . 1 . 2]" 1
460 1 25 ALA MB 1 33 LEU MD2 4.470 . 7.140 2.738 2.056 3.745 . 0 0 "[ . 1 . 2]" 1
461 1 25 ALA MB 1 93 PHE QD 3.910 . 6.020 3.094 2.005 4.878 . 0 0 "[ . 1 . 2]" 1
462 1 25 ALA MB 1 93 PHE QE 4.210 . 6.630 3.790 2.923 5.540 . 0 0 "[ . 1 . 2]" 1
463 1 25 ALA MB 1 97 VAL MG1 4.920 . 8.040 4.477 3.255 5.175 . 0 0 "[ . 1 . 2]" 1
464 1 25 ALA MB 1 97 VAL MG2 4.920 . 8.040 4.032 3.096 5.512 . 0 0 "[ . 1 . 2]" 1
465 1 26 LYS H 1 26 LYS HB2 2.750 . 3.700 2.583 2.329 3.626 . 0 0 "[ . 1 . 2]" 1
466 1 26 LYS H 1 26 LYS QB 2.670 . 3.540 2.366 2.225 2.516 . 0 0 "[ . 1 . 2]" 1
467 1 26 LYS H 1 26 LYS HB3 2.750 . 3.700 3.177 2.464 3.620 . 0 0 "[ . 1 . 2]" 1
468 1 26 LYS H 1 26 LYS QD 4.340 . 6.880 4.034 3.578 4.667 . 0 0 "[ . 1 . 2]" 1
469 1 26 LYS H 1 26 LYS HG2 3.900 . 6.000 3.503 2.178 4.634 . 0 0 "[ . 1 . 2]" 1
470 1 26 LYS H 1 26 LYS QG 3.600 . 5.400 2.839 2.152 4.047 . 0 0 "[ . 1 . 2]" 1
471 1 26 LYS H 1 26 LYS HG3 3.900 . 6.000 3.323 2.240 4.601 . 0 0 "[ . 1 . 2]" 1
472 1 26 LYS H 1 27 GLU H 2.440 . 3.080 2.502 2.467 2.579 . 0 0 "[ . 1 . 2]" 1
473 1 26 LYS HA 1 26 LYS QD 3.890 . 5.980 3.560 1.915 4.275 . 0 0 "[ . 1 . 2]" 1
474 1 27 GLU H 1 27 GLU HB2 2.780 . 3.770 2.434 2.326 2.592 . 0 0 "[ . 1 . 2]" 1
475 1 27 GLU H 1 27 GLU QB 2.680 . 3.570 2.396 2.297 2.536 . 0 0 "[ . 1 . 2]" 1
476 1 27 GLU H 1 27 GLU HB3 2.780 . 3.770 3.591 3.559 3.612 . 0 0 "[ . 1 . 2]" 1
477 1 27 GLU H 1 27 GLU HG2 2.750 . 3.700 3.152 2.073 3.740 0.040 3 0 "[ . 1 . 2]" 1
478 1 27 GLU H 1 27 GLU QG 2.630 . 3.460 2.340 2.060 2.522 . 0 0 "[ . 1 . 2]" 1
479 1 27 GLU H 1 27 GLU HG3 2.750 . 3.700 2.863 2.329 3.708 0.008 8 0 "[ . 1 . 2]" 1
480 1 27 GLU H 1 28 GLY H 2.580 . 3.370 2.547 2.318 2.761 . 0 0 "[ . 1 . 2]" 1
481 1 27 GLU HA 1 27 GLU HG2 3.020 . 4.240 2.717 2.444 3.298 . 0 0 "[ . 1 . 2]" 1
482 1 27 GLU HA 1 27 GLU QG 2.870 . 3.950 2.584 2.344 3.099 . 0 0 "[ . 1 . 2]" 1
483 1 27 GLU HA 1 27 GLU HG3 3.020 . 4.240 3.246 2.844 3.802 . 0 0 "[ . 1 . 2]" 1
484 1 27 GLU QB 1 28 GLY H 3.010 . 4.220 2.632 2.235 2.994 . 0 0 "[ . 1 . 2]" 1
485 1 27 GLU HB2 1 28 GLY H 3.120 . 4.450 2.700 2.265 3.099 . 0 0 "[ . 1 . 2]" 1
486 1 27 GLU HB2 1 29 ASP H 2.910 . 4.020 3.164 2.690 3.710 . 0 0 "[ . 1 . 2]" 1
487 1 27 GLU HB3 1 28 GLY H 3.120 . 4.450 3.657 3.347 3.961 . 0 0 "[ . 1 . 2]" 1
488 1 27 GLU HB3 1 29 ASP H 2.910 . 4.020 3.832 3.093 4.068 0.048 3 0 "[ . 1 . 2]" 1
489 1 28 GLY H 1 29 ASP H 2.570 . 3.340 2.462 1.998 2.736 . 0 0 "[ . 1 . 2]" 1
490 1 28 GLY H 1 33 LEU MD2 4.030 . 6.260 4.873 3.982 6.286 0.026 16 0 "[ . 1 . 2]" 1
491 1 28 GLY QA 1 90 ALA MB 4.850 . 7.900 3.055 1.999 4.446 . 0 0 "[ . 1 . 2]" 1
492 1 29 ASP H 1 29 ASP HB2 2.570 . 3.340 2.830 2.260 3.261 . 0 0 "[ . 1 . 2]" 1
493 1 29 ASP H 1 29 ASP QB 2.480 . 3.170 2.420 2.235 2.615 . 0 0 "[ . 1 . 2]" 1
494 1 29 ASP H 1 29 ASP HB3 2.570 . 3.340 2.681 2.527 3.529 0.189 3 0 "[ . 1 . 2]" 1
495 1 29 ASP H 1 30 GLU H 3.470 . 5.140 4.265 3.739 4.515 . 0 0 "[ . 1 . 2]" 1
496 1 29 ASP H 1 33 LEU MD2 3.850 . 5.900 4.657 3.702 5.921 0.021 16 0 "[ . 1 . 2]" 1
497 1 29 ASP HB2 1 30 GLU H 3.570 . 5.350 4.353 4.042 4.569 . 0 0 "[ . 1 . 2]" 1
498 1 29 ASP HB3 1 30 GLU H 3.570 . 5.350 4.231 3.922 4.473 . 0 0 "[ . 1 . 2]" 1
499 1 30 GLU H 1 30 GLU HB2 2.750 . 3.700 2.494 2.339 2.633 . 0 0 "[ . 1 . 2]" 1
500 1 30 GLU H 1 30 GLU QB 2.640 . 3.480 2.375 2.197 2.552 . 0 0 "[ . 1 . 2]" 1
501 1 30 GLU H 1 30 GLU HB3 2.750 . 3.700 3.262 2.352 3.623 . 0 0 "[ . 1 . 2]" 1
502 1 30 GLU H 1 30 GLU HG2 3.200 . 4.600 3.803 3.231 4.493 . 0 0 "[ . 1 . 2]" 1
503 1 30 GLU H 1 30 GLU QG 3.100 . 4.400 2.740 1.903 3.985 . 0 0 "[ . 1 . 2]" 1
504 1 30 GLU H 1 30 GLU HG3 3.200 . 4.600 2.908 1.916 4.536 . 0 0 "[ . 1 . 2]" 1
505 1 30 GLU H 1 31 GLN H 2.710 . 3.620 2.559 2.253 2.791 . 0 0 "[ . 1 . 2]" 1
506 1 30 GLU HA 1 30 GLU HG2 2.550 . 3.300 2.757 2.493 3.154 . 0 0 "[ . 1 . 2]" 1
507 1 30 GLU HA 1 30 GLU QG 2.460 . 3.120 2.475 2.346 2.646 . 0 0 "[ . 1 . 2]" 1
508 1 30 GLU HA 1 30 GLU HG3 2.550 . 3.300 2.892 2.420 3.225 . 0 0 "[ . 1 . 2]" 1
509 1 30 GLU HA 1 33 LEU HB2 2.750 . 3.700 2.242 1.797 2.583 0.003 15 0 "[ . 1 . 2]" 1
510 1 30 GLU HA 1 33 LEU QB 2.560 . 3.330 2.211 1.791 2.541 . 0 0 "[ . 1 . 2]" 1
511 1 30 GLU HA 1 33 LEU HB3 2.750 . 3.700 3.658 2.524 3.868 0.168 18 0 "[ . 1 . 2]" 1
512 1 30 GLU QB 1 31 GLN H 2.880 . 3.960 2.827 2.511 3.228 . 0 0 "[ . 1 . 2]" 1
513 1 30 GLU HB2 1 31 GLN H 2.960 . 4.130 3.252 2.551 4.166 0.036 15 0 "[ . 1 . 2]" 1
514 1 30 GLU HB3 1 31 GLN H 2.960 . 4.130 3.584 2.637 4.220 0.090 13 0 "[ . 1 . 2]" 1
515 1 31 GLN H 1 31 GLN HB2 2.600 . 3.410 2.479 2.314 2.667 . 0 0 "[ . 1 . 2]" 1
516 1 31 GLN H 1 31 GLN HB3 2.600 . 3.410 2.988 2.390 3.573 0.163 7 0 "[ . 1 . 2]" 1
517 1 31 GLN H 1 31 GLN HG2 3.540 . 5.280 3.900 1.963 4.615 . 0 0 "[ . 1 . 2]" 1
518 1 31 GLN H 1 31 GLN QG 3.290 . 4.790 3.297 1.954 4.038 . 0 0 "[ . 1 . 2]" 1
519 1 31 GLN H 1 31 GLN HG3 3.540 . 5.280 3.775 2.085 4.552 . 0 0 "[ . 1 . 2]" 1
520 1 31 GLN H 1 32 GLU H 2.580 . 3.370 2.653 2.530 2.775 . 0 0 "[ . 1 . 2]" 1
521 1 31 GLN HA 1 31 GLN QG 2.860 . 3.920 2.524 2.355 3.130 . 0 0 "[ . 1 . 2]" 1
522 1 31 GLN QB 1 32 GLU H 2.770 . 3.740 2.416 2.292 2.616 . 0 0 "[ . 1 . 2]" 1
523 1 31 GLN HB2 1 32 GLU H 2.890 . 3.980 3.186 2.437 3.903 . 0 0 "[ . 1 . 2]" 1
524 1 31 GLN HB3 1 32 GLU H 2.890 . 3.980 2.896 2.320 3.736 . 0 0 "[ . 1 . 2]" 1
525 1 32 GLU H 1 32 GLU HB2 2.780 . 3.770 2.427 2.237 2.584 . 0 0 "[ . 1 . 2]" 1
526 1 32 GLU H 1 32 GLU QB 2.610 . 3.430 2.323 2.178 2.515 . 0 0 "[ . 1 . 2]" 1
527 1 32 GLU H 1 32 GLU HB3 2.780 . 3.770 3.227 2.427 3.612 . 0 0 "[ . 1 . 2]" 1
528 1 32 GLU H 1 32 GLU QG 4.320 . 6.850 3.046 2.093 4.075 . 0 0 "[ . 1 . 2]" 1
529 1 32 GLU HA 1 35 ARG HB2 2.980 . 4.160 3.456 2.948 3.966 . 0 0 "[ . 1 . 2]" 1
530 1 32 GLU HA 1 35 ARG QB 2.820 . 3.840 2.822 2.339 3.210 . 0 0 "[ . 1 . 2]" 1
531 1 32 GLU HA 1 35 ARG HB3 2.980 . 4.160 3.028 2.420 3.554 . 0 0 "[ . 1 . 2]" 1
532 1 32 GLU HB2 1 33 LEU H 2.980 . 4.160 3.044 2.463 3.902 . 0 0 "[ . 1 . 2]" 1
533 1 32 GLU HB3 1 33 LEU H 2.980 . 4.160 3.185 2.341 3.692 . 0 0 "[ . 1 . 2]" 1
534 1 33 LEU H 1 33 LEU HB2 2.670 . 3.550 2.304 2.081 2.443 . 0 0 "[ . 1 . 2]" 1
535 1 33 LEU H 1 33 LEU QB 2.570 . 3.350 2.274 2.046 2.404 . 0 0 "[ . 1 . 2]" 1
536 1 33 LEU H 1 33 LEU HB3 2.670 . 3.550 3.519 3.017 3.581 0.031 5 0 "[ . 1 . 2]" 1
537 1 33 LEU H 1 33 LEU MD1 3.150 . 4.500 3.705 3.608 4.072 . 0 0 "[ . 1 . 2]" 1
538 1 33 LEU H 1 33 LEU MD2 3.330 . 4.860 3.610 3.252 4.275 . 0 0 "[ . 1 . 2]" 1
539 1 33 LEU H 1 33 LEU HG 3.270 . 4.740 2.657 2.323 3.973 . 0 0 "[ . 1 . 2]" 1
540 1 33 LEU H 1 34 ALA H 2.710 . 3.620 2.774 2.728 2.825 . 0 0 "[ . 1 . 2]" 1
541 1 33 LEU HA 1 33 LEU MD1 3.240 . 4.680 3.810 3.769 3.841 . 0 0 "[ . 1 . 2]" 1
542 1 33 LEU HA 1 33 LEU MD2 2.910 . 4.030 1.931 1.855 2.367 . 0 0 "[ . 1 . 2]" 1
543 1 33 LEU HA 1 36 LEU HB2 3.050 . 4.310 2.608 2.136 2.778 . 0 0 "[ . 1 . 2]" 1
544 1 33 LEU HA 1 36 LEU HB3 3.050 . 4.310 4.216 3.693 4.378 0.068 18 0 "[ . 1 . 2]" 1
545 1 33 LEU MD1 1 34 ALA H 4.410 . 7.020 4.603 4.475 4.794 . 0 0 "[ . 1 . 2]" 1
546 1 33 LEU MD1 1 37 ASN H 4.410 . 7.020 6.305 5.962 6.614 . 0 0 "[ . 1 . 2]" 1
547 1 33 LEU MD1 1 90 ALA HA 3.290 . 4.790 3.048 1.891 4.220 . 0 0 "[ . 1 . 2]" 1
548 1 33 LEU MD1 1 90 ALA MB 4.660 . 7.530 3.263 2.113 4.331 . 0 0 "[ . 1 . 2]" 1
549 1 33 LEU MD1 1 93 PHE QD 4.280 . 6.770 3.032 1.764 4.383 0.026 19 0 "[ . 1 . 2]" 1
550 1 33 LEU MD1 1 93 PHE QE 3.930 . 6.060 3.646 3.076 4.504 . 0 0 "[ . 1 . 2]" 1
551 1 33 LEU MD2 1 34 ALA H 4.390 . 6.980 4.620 3.925 4.690 . 0 0 "[ . 1 . 2]" 1
552 1 33 LEU MD2 1 90 ALA HA 3.430 . 5.070 4.528 3.565 5.127 0.057 20 0 "[ . 1 . 2]" 1
553 1 33 LEU MD2 1 90 ALA MB 4.920 . 8.040 4.829 3.397 5.571 . 0 0 "[ . 1 . 2]" 1
554 1 33 LEU MD2 1 93 PHE QD 4.300 . 6.810 2.834 2.044 3.714 . 0 0 "[ . 1 . 2]" 1
555 1 33 LEU MD2 1 93 PHE QE 5.470 . 9.150 2.033 1.708 2.809 0.082 19 0 "[ . 1 . 2]" 1
556 1 33 LEU MD2 1 93 PHE HZ 2.730 . 3.670 3.738 3.672 3.857 0.187 19 0 "[ . 1 . 2]" 1
557 1 34 ALA H 1 34 ALA MB 2.640 . 3.490 2.243 2.233 2.251 . 0 0 "[ . 1 . 2]" 1
558 1 34 ALA H 1 35 ARG H 2.600 . 3.410 2.701 2.573 2.795 . 0 0 "[ . 1 . 2]" 1
559 1 34 ALA H 1 36 LEU H 3.480 . 5.170 4.144 3.916 4.237 . 0 0 "[ . 1 . 2]" 1
560 1 34 ALA HA 1 37 ASN H 3.030 . 4.270 3.573 3.251 3.935 . 0 0 "[ . 1 . 2]" 1
561 1 34 ALA HA 1 37 ASN HB2 2.870 . 3.950 3.351 2.531 3.953 0.003 3 0 "[ . 1 . 2]" 1
562 1 34 ALA HA 1 37 ASN QB 2.790 . 3.790 2.711 2.360 3.195 . 0 0 "[ . 1 . 2]" 1
563 1 34 ALA HA 1 37 ASN HB3 2.870 . 3.950 2.936 2.476 4.039 0.089 6 0 "[ . 1 . 2]" 1
564 1 34 ALA HA 1 38 GLN H 3.110 . 4.420 4.154 3.857 4.480 0.060 14 0 "[ . 1 . 2]" 1
565 1 34 ALA MB 1 35 ARG H 2.930 . 4.070 2.475 2.422 2.662 . 0 0 "[ . 1 . 2]" 1
566 1 35 ARG H 1 35 ARG HB2 2.530 . 3.260 2.328 2.170 2.565 . 0 0 "[ . 1 . 2]" 1
567 1 35 ARG H 1 35 ARG QB 2.420 . 3.050 2.168 2.104 2.244 . 0 0 "[ . 1 . 2]" 1
568 1 35 ARG H 1 35 ARG HB3 2.530 . 3.260 2.651 2.355 2.990 . 0 0 "[ . 1 . 2]" 1
569 1 35 ARG H 1 35 ARG HG3 2.930 . 4.060 4.259 4.072 4.402 0.342 3 0 "[ . 1 . 2]" 1
570 1 35 ARG H 1 36 LEU H 2.620 . 3.440 2.684 2.538 2.791 . 0 0 "[ . 1 . 2]" 1
571 1 35 ARG H 1 37 ASN H 3.480 . 5.170 4.145 3.936 4.316 . 0 0 "[ . 1 . 2]" 1
572 1 35 ARG HA 1 38 GLN HB2 2.820 . 3.840 2.882 2.383 3.784 . 0 0 "[ . 1 . 2]" 1
573 1 35 ARG HA 1 38 GLN QB 2.740 . 3.680 2.681 2.364 3.086 . 0 0 "[ . 1 . 2]" 1
574 1 35 ARG HA 1 38 GLN HB3 2.820 . 3.840 3.677 2.727 4.037 0.197 1 0 "[ . 1 . 2]" 1
575 1 35 ARG QB 1 36 LEU H 2.720 . 3.650 2.430 2.295 2.645 . 0 0 "[ . 1 . 2]" 1
576 1 35 ARG HB2 1 36 LEU H 2.890 . 3.980 3.659 3.353 3.811 . 0 0 "[ . 1 . 2]" 1
577 1 35 ARG HB3 1 36 LEU H 2.890 . 3.980 2.469 2.317 2.703 . 0 0 "[ . 1 . 2]" 1
578 1 35 ARG HG2 1 36 LEU H 3.070 . 4.340 3.963 3.433 4.439 0.099 9 0 "[ . 1 . 2]" 1
579 1 36 LEU H 1 36 LEU HB2 2.930 . 4.060 2.442 2.325 2.513 . 0 0 "[ . 1 . 2]" 1
580 1 36 LEU H 1 36 LEU QB 2.780 . 3.760 2.403 2.297 2.467 . 0 0 "[ . 1 . 2]" 1
581 1 36 LEU H 1 36 LEU HB3 2.930 . 4.060 3.582 3.564 3.599 . 0 0 "[ . 1 . 2]" 1
582 1 36 LEU H 1 36 LEU MD1 3.380 . 4.970 3.637 3.436 3.816 . 0 0 "[ . 1 . 2]" 1
583 1 36 LEU H 1 36 LEU MD2 3.360 . 4.930 3.356 3.224 3.546 . 0 0 "[ . 1 . 2]" 1
584 1 36 LEU H 1 36 LEU HG 2.750 . 3.700 2.347 2.223 2.638 . 0 0 "[ . 1 . 2]" 1
585 1 36 LEU HA 1 36 LEU MD1 3.440 . 5.080 3.838 3.769 3.872 . 0 0 "[ . 1 . 2]" 1
586 1 36 LEU HA 1 36 LEU MD2 2.880 . 3.960 1.972 1.825 2.068 . 0 0 "[ . 1 . 2]" 1
587 1 36 LEU HA 1 39 GLU H 2.870 . 3.950 3.298 3.044 3.608 . 0 0 "[ . 1 . 2]" 1
588 1 36 LEU HA 1 39 GLU QB 3.620 . 5.440 2.594 2.218 3.159 . 0 0 "[ . 1 . 2]" 1
589 1 36 LEU QB 1 37 ASN H 2.860 . 3.930 2.506 2.407 2.684 . 0 0 "[ . 1 . 2]" 1
590 1 36 LEU QB 1 40 ILE MD 4.610 . 7.430 3.370 2.971 3.769 . 0 0 "[ . 1 . 2]" 1
591 1 36 LEU HB2 1 37 ASN H 3.020 . 4.240 2.565 2.456 2.757 . 0 0 "[ . 1 . 2]" 1
592 1 36 LEU HB3 1 37 ASN H 3.020 . 4.240 3.532 3.446 3.682 . 0 0 "[ . 1 . 2]" 1
593 1 36 LEU MD1 1 37 ASN H 3.870 . 5.940 4.487 4.342 4.658 . 0 0 "[ . 1 . 2]" 1
594 1 36 LEU MD2 1 37 ASN H 4.280 . 6.770 4.636 4.595 4.696 . 0 0 "[ . 1 . 2]" 1
595 1 36 LEU MD2 1 39 GLU H 4.410 . 7.020 4.748 4.332 5.122 . 0 0 "[ . 1 . 2]" 1
596 1 37 ASN H 1 37 ASN HB2 2.550 . 3.300 2.414 2.287 2.523 . 0 0 "[ . 1 . 2]" 1
597 1 37 ASN H 1 37 ASN QB 2.460 . 3.120 2.235 2.202 2.262 . 0 0 "[ . 1 . 2]" 1
598 1 37 ASN H 1 37 ASN HB3 2.550 . 3.300 2.677 2.517 3.511 0.211 6 0 "[ . 1 . 2]" 1
599 1 37 ASN H 1 38 GLN H 2.690 . 3.590 2.729 2.661 2.819 . 0 0 "[ . 1 . 2]" 1
600 1 37 ASN H 1 39 GLU H 3.360 . 4.920 4.131 4.008 4.365 . 0 0 "[ . 1 . 2]" 1
601 1 37 ASN HA 1 40 ILE H 3.120 . 4.450 3.513 3.212 3.731 . 0 0 "[ . 1 . 2]" 1
602 1 37 ASN HA 1 40 ILE HB 2.580 . 3.370 2.932 2.689 3.225 . 0 0 "[ . 1 . 2]" 1
603 1 37 ASN HA 1 40 ILE MD 3.150 . 4.500 2.222 1.865 2.836 . 0 0 "[ . 1 . 2]" 1
604 1 37 ASN HA 1 40 ILE MG 3.780 . 5.760 4.160 3.982 4.437 . 0 0 "[ . 1 . 2]" 1
605 1 37 ASN QB 1 38 GLN H 2.960 . 4.120 2.461 2.350 2.593 . 0 0 "[ . 1 . 2]" 1
606 1 37 ASN HB2 1 38 GLN H 3.070 . 4.340 3.692 2.533 3.896 . 0 0 "[ . 1 . 2]" 1
607 1 37 ASN HB3 1 38 GLN H 3.070 . 4.340 2.535 2.378 3.270 . 0 0 "[ . 1 . 2]" 1
608 1 37 ASN QD 1 41 VAL MG2 4.840 . 7.880 3.687 2.738 5.588 . 0 0 "[ . 1 . 2]" 1
609 1 37 ASN QD 1 81 HIS HA 4.090 . 6.390 3.539 2.241 4.718 . 0 0 "[ . 1 . 2]" 1
610 1 37 ASN QD 1 84 ALA MB 4.160 . 6.520 3.489 2.132 5.527 . 0 0 "[ . 1 . 2]" 1
611 1 37 ASN HD21 1 84 ALA MB 4.370 . 6.950 4.595 2.786 6.463 . 0 0 "[ . 1 . 2]" 1
612 1 37 ASN HD22 1 84 ALA MB 4.370 . 6.950 3.633 2.213 6.004 . 0 0 "[ . 1 . 2]" 1
613 1 38 GLN H 1 38 GLN HB2 2.620 . 3.440 2.202 2.017 2.404 . 0 0 "[ . 1 . 2]" 1
614 1 38 GLN H 1 38 GLN QB 2.500 . 3.200 2.138 1.995 2.314 . 0 0 "[ . 1 . 2]" 1
615 1 38 GLN H 1 38 GLN HB3 2.620 . 3.440 3.150 2.468 3.532 0.092 2 0 "[ . 1 . 2]" 1
616 1 38 GLN H 1 38 GLN HG2 2.980 . 4.160 3.396 2.324 4.379 0.219 20 0 "[ . 1 . 2]" 1
617 1 38 GLN H 1 38 GLN QG 2.850 . 3.900 3.184 2.297 3.871 . 0 0 "[ . 1 . 2]" 1
618 1 38 GLN H 1 38 GLN HG3 2.980 . 4.160 4.069 3.614 4.365 0.205 19 0 "[ . 1 . 2]" 1
619 1 38 GLN H 1 39 GLU H 2.530 . 3.260 2.698 2.566 2.799 . 0 0 "[ . 1 . 2]" 1
620 1 38 GLN HA 1 38 GLN HG2 2.730 . 3.660 2.658 2.282 3.028 . 0 0 "[ . 1 . 2]" 1
621 1 38 GLN HA 1 38 GLN QG 2.610 . 3.430 2.526 2.256 2.894 . 0 0 "[ . 1 . 2]" 1
622 1 38 GLN HA 1 38 GLN HG3 2.730 . 3.660 3.421 2.488 3.724 0.064 17 0 "[ . 1 . 2]" 1
623 1 38 GLN HA 1 41 VAL H 3.390 . 4.990 3.580 3.393 3.731 . 0 0 "[ . 1 . 2]" 1
624 1 38 GLN HA 1 41 VAL HB 2.750 . 3.700 3.087 2.846 3.380 . 0 0 "[ . 1 . 2]" 1
625 1 38 GLN HA 1 41 VAL MG1 3.780 . 5.760 4.333 4.108 4.571 . 0 0 "[ . 1 . 2]" 1
626 1 38 GLN HA 1 41 VAL MG2 3.580 . 5.360 2.917 2.588 3.122 . 0 0 "[ . 1 . 2]" 1
627 1 38 GLN HA 1 42 LYS H 3.200 . 4.600 4.393 4.157 4.635 0.035 13 0 "[ . 1 . 2]" 1
628 1 38 GLN QB 1 39 GLU H 2.930 . 4.060 2.565 2.351 2.707 . 0 0 "[ . 1 . 2]" 1
629 1 38 GLN HB2 1 39 GLU H 3.090 . 4.380 3.135 2.538 3.832 . 0 0 "[ . 1 . 2]" 1
630 1 38 GLN HB3 1 39 GLU H 3.090 . 4.380 2.957 2.395 3.537 . 0 0 "[ . 1 . 2]" 1
631 1 39 GLU H 1 39 GLU HB2 2.820 . 3.840 2.399 2.127 2.552 . 0 0 "[ . 1 . 2]" 1
632 1 39 GLU H 1 39 GLU QB 2.730 . 3.670 2.330 2.107 2.501 . 0 0 "[ . 1 . 2]" 1
633 1 39 GLU H 1 39 GLU HB3 2.820 . 3.840 3.319 2.613 3.611 . 0 0 "[ . 1 . 2]" 1
634 1 39 GLU H 1 39 GLU QG 3.330 . 4.870 2.912 2.051 4.063 . 0 0 "[ . 1 . 2]" 1
635 1 39 GLU H 1 40 ILE H 2.530 . 3.260 2.649 2.590 2.750 . 0 0 "[ . 1 . 2]" 1
636 1 39 GLU HA 1 42 LYS H 3.030 . 4.270 3.424 2.943 3.987 . 0 0 "[ . 1 . 2]" 1
637 1 39 GLU HA 1 42 LYS QB 3.220 . 4.650 2.899 2.330 4.670 0.020 18 0 "[ . 1 . 2]" 1
638 1 39 GLU HA 1 43 ALA H 3.230 . 4.670 4.148 3.819 4.547 . 0 0 "[ . 1 . 2]" 1
639 1 39 GLU QB 1 40 ILE H 2.920 . 4.040 2.662 2.478 2.905 . 0 0 "[ . 1 . 2]" 1
640 1 39 GLU HB2 1 40 ILE H 3.000 . 4.200 3.072 2.553 3.884 . 0 0 "[ . 1 . 2]" 1
641 1 39 GLU HB3 1 40 ILE H 3.000 . 4.200 3.353 2.516 3.874 . 0 0 "[ . 1 . 2]" 1
642 1 39 GLU QG 1 40 ILE H 4.270 . 6.740 4.109 3.800 4.678 . 0 0 "[ . 1 . 2]" 1
643 1 40 ILE H 1 40 ILE HB 2.480 . 3.160 2.533 2.479 2.590 . 0 0 "[ . 1 . 2]" 1
644 1 40 ILE H 1 40 ILE MD 3.560 . 5.330 3.574 3.492 3.677 . 0 0 "[ . 1 . 2]" 1
645 1 40 ILE H 1 40 ILE HG12 3.300 . 4.810 3.419 3.305 3.553 . 0 0 "[ . 1 . 2]" 1
646 1 40 ILE H 1 40 ILE QG 2.940 . 4.090 2.124 2.004 2.267 . 0 0 "[ . 1 . 2]" 1
647 1 40 ILE H 1 40 ILE HG13 3.300 . 4.810 2.145 2.021 2.294 . 0 0 "[ . 1 . 2]" 1
648 1 40 ILE H 1 41 VAL H 2.690 . 3.590 2.762 2.660 2.823 . 0 0 "[ . 1 . 2]" 1
649 1 40 ILE H 1 41 VAL MG2 4.410 . 7.020 4.133 4.014 4.292 . 0 0 "[ . 1 . 2]" 1
650 1 40 ILE HA 1 40 ILE QG 2.770 . 3.740 2.395 2.340 2.446 . 0 0 "[ . 1 . 2]" 1
651 1 40 ILE HA 1 42 LYS H 3.430 . 5.060 4.507 4.308 4.964 . 0 0 "[ . 1 . 2]" 1
652 1 40 ILE HA 1 43 ALA H 3.000 . 4.200 3.493 3.336 3.840 . 0 0 "[ . 1 . 2]" 1
653 1 40 ILE HA 1 43 ALA MB 3.360 . 4.930 2.749 2.555 2.990 . 0 0 "[ . 1 . 2]" 1
654 1 40 ILE HA 1 44 GLU H 3.180 . 4.560 3.887 3.713 4.033 . 0 0 "[ . 1 . 2]" 1
655 1 40 ILE HB 1 41 VAL H 2.550 . 3.300 2.446 2.366 2.571 . 0 0 "[ . 1 . 2]" 1
656 1 40 ILE MD 1 41 VAL H 4.410 . 7.020 4.452 4.359 4.613 . 0 0 "[ . 1 . 2]" 1
657 1 40 ILE MD 1 81 HIS HD2 3.270 . 4.750 4.509 3.927 4.788 0.038 3 0 "[ . 1 . 2]" 1
658 1 40 ILE MD 1 81 HIS HE1 2.610 . 3.420 2.608 2.076 3.443 0.023 17 0 "[ . 1 . 2]" 1
659 1 40 ILE MD 1 93 PHE HZ 4.160 . 6.520 3.438 2.135 4.020 . 0 0 "[ . 1 . 2]" 1
660 1 40 ILE MD 1 100 HIS HD1 4.410 . 7.020 3.955 3.440 4.305 . 0 0 "[ . 1 . 2]" 1
661 1 40 ILE MD 1 100 HIS HE1 3.200 . 4.610 4.215 3.833 4.641 0.031 14 0 "[ . 1 . 2]" 1
662 1 40 ILE QG 1 41 VAL H 3.660 . 5.530 3.985 3.903 4.070 . 0 0 "[ . 1 . 2]" 1
663 1 40 ILE HG12 1 41 VAL H 3.900 . 6.000 4.922 4.871 4.979 . 0 0 "[ . 1 . 2]" 1
664 1 40 ILE HG13 1 41 VAL H 3.900 . 6.000 4.212 4.108 4.317 . 0 0 "[ . 1 . 2]" 1
665 1 40 ILE MG 1 41 VAL H 3.560 . 5.330 3.235 3.121 3.342 . 0 0 "[ . 1 . 2]" 1
666 1 40 ILE MG 1 41 VAL HA 3.520 . 5.250 3.298 3.190 3.416 . 0 0 "[ . 1 . 2]" 1
667 1 40 ILE MG 1 41 VAL MG2 4.700 . 7.610 3.551 3.409 3.723 . 0 0 "[ . 1 . 2]" 1
668 1 40 ILE MG 1 43 ALA MB 4.920 . 8.040 3.705 3.430 4.011 . 0 0 "[ . 1 . 2]" 1
669 1 40 ILE MG 1 44 GLU H 4.150 . 6.510 3.747 3.613 3.886 . 0 0 "[ . 1 . 2]" 1
670 1 40 ILE MG 1 44 GLU QB 4.680 . 7.570 3.596 3.374 3.886 . 0 0 "[ . 1 . 2]" 1
671 1 40 ILE MG 1 44 GLU HG2 3.270 . 4.750 2.870 2.393 3.658 . 0 0 "[ . 1 . 2]" 1
672 1 40 ILE MG 1 44 GLU HG3 3.270 . 4.750 2.386 2.131 2.789 . 0 0 "[ . 1 . 2]" 1
673 1 40 ILE MG 1 81 HIS HD2 4.030 . 6.260 3.439 3.043 3.796 . 0 0 "[ . 1 . 2]" 1
674 1 40 ILE MG 1 81 HIS HE1 3.330 . 4.860 3.693 2.863 4.564 . 0 0 "[ . 1 . 2]" 1
675 1 40 ILE MG 1 100 HIS HD1 4.060 . 6.330 3.602 3.205 3.856 . 0 0 "[ . 1 . 2]" 1
676 1 40 ILE MG 1 100 HIS HE1 2.610 . 3.420 2.701 2.357 3.112 . 0 0 "[ . 1 . 2]" 1
677 1 41 VAL H 1 41 VAL HB 2.580 . 3.370 2.567 2.517 2.613 . 0 0 "[ . 1 . 2]" 1
678 1 41 VAL H 1 41 VAL MG2 2.880 . 3.960 2.017 1.954 2.091 . 0 0 "[ . 1 . 2]" 1
679 1 41 VAL HA 1 44 GLU H 3.290 . 4.780 3.722 3.522 3.961 . 0 0 "[ . 1 . 2]" 1
680 1 41 VAL HA 1 44 GLU HB2 3.410 . 5.030 3.009 2.690 3.392 . 0 0 "[ . 1 . 2]" 1
681 1 41 VAL HA 1 44 GLU QB 3.060 . 4.330 2.974 2.664 3.345 . 0 0 "[ . 1 . 2]" 1
682 1 41 VAL HA 1 44 GLU HB3 3.410 . 5.030 4.663 4.294 5.086 0.056 18 0 "[ . 1 . 2]" 1
683 1 41 VAL HA 1 78 ILE HA 3.000 . 4.200 3.999 3.402 4.241 0.041 14 0 "[ . 1 . 2]" 1
684 1 41 VAL HB 1 42 LYS H 2.670 . 3.550 2.524 2.339 2.669 . 0 0 "[ . 1 . 2]" 1
685 1 41 VAL MG1 1 42 LYS H 3.360 . 4.930 3.352 3.090 3.510 . 0 0 "[ . 1 . 2]" 1
686 1 41 VAL MG1 1 42 LYS HA 3.650 . 5.510 3.392 3.151 3.594 . 0 0 "[ . 1 . 2]" 1
687 1 41 VAL MG1 1 45 LYS H 4.410 . 7.020 4.041 3.823 4.348 . 0 0 "[ . 1 . 2]" 1
688 1 41 VAL MG1 1 45 LYS QD 3.500 . 5.200 3.474 2.395 4.675 . 0 0 "[ . 1 . 2]" 1
689 1 41 VAL MG1 1 78 ILE HA 4.190 . 6.590 4.136 3.414 4.879 . 0 0 "[ . 1 . 2]" 1
690 1 41 VAL MG1 1 82 LYS HA 4.070 . 6.340 5.109 3.563 6.388 0.048 17 0 "[ . 1 . 2]" 1
691 1 41 VAL MG1 1 82 LYS QE 4.690 . 7.580 5.140 3.947 6.487 . 0 0 "[ . 1 . 2]" 1
692 1 41 VAL MG2 1 42 LYS H 3.780 . 5.760 3.799 3.737 3.874 . 0 0 "[ . 1 . 2]" 1
693 1 41 VAL MG2 1 44 GLU QB 4.590 . 7.390 4.595 4.281 4.928 . 0 0 "[ . 1 . 2]" 1
694 1 41 VAL MG2 1 78 ILE HA 3.700 . 5.610 3.354 2.822 3.799 . 0 0 "[ . 1 . 2]" 1
695 1 41 VAL MG2 1 81 HIS H 3.790 . 5.790 4.874 4.170 5.786 . 0 0 "[ . 1 . 2]" 1
696 1 41 VAL MG2 1 81 HIS HB2 3.240 . 4.680 3.107 2.425 4.345 . 0 0 "[ . 1 . 2]" 1
697 1 41 VAL MG2 1 81 HIS HB3 3.240 . 4.680 3.002 2.234 4.589 . 0 0 "[ . 1 . 2]" 1
698 1 41 VAL MG2 1 82 LYS H 3.270 . 4.750 3.997 3.001 4.585 . 0 0 "[ . 1 . 2]" 1
699 1 41 VAL MG2 1 82 LYS HA 3.240 . 4.680 3.777 2.420 4.544 . 0 0 "[ . 1 . 2]" 1
700 1 41 VAL MG2 1 82 LYS QB 4.500 . 7.210 3.821 2.826 5.096 . 0 0 "[ . 1 . 2]" 1
701 1 42 LYS H 1 42 LYS QD 4.340 . 6.880 3.719 2.979 4.751 . 0 0 "[ . 1 . 2]" 1
702 1 42 LYS H 1 42 LYS HG2 3.020 . 4.240 2.773 1.857 3.882 . 0 0 "[ . 1 . 2]" 1
703 1 42 LYS H 1 42 LYS QG 2.800 . 3.800 2.275 1.847 3.604 . 0 0 "[ . 1 . 2]" 1
704 1 42 LYS H 1 42 LYS HG3 3.020 . 4.240 3.102 2.027 4.272 0.032 6 0 "[ . 1 . 2]" 1
705 1 42 LYS H 1 43 ALA H 2.570 . 3.340 2.700 2.659 2.762 . 0 0 "[ . 1 . 2]" 1
706 1 42 LYS HA 1 42 LYS HG2 2.930 . 4.060 2.882 2.293 3.755 . 0 0 "[ . 1 . 2]" 1
707 1 42 LYS HA 1 42 LYS QG 2.820 . 3.850 2.733 2.267 3.352 . 0 0 "[ . 1 . 2]" 1
708 1 42 LYS HA 1 42 LYS HG3 2.930 . 4.060 3.473 2.763 3.937 . 0 0 "[ . 1 . 2]" 1
709 1 42 LYS HA 1 45 LYS H 3.120 . 4.450 3.800 3.469 4.037 . 0 0 "[ . 1 . 2]" 1
710 1 42 LYS QB 1 43 ALA H 3.130 . 4.470 2.652 2.381 3.504 . 0 0 "[ . 1 . 2]" 1
711 1 42 LYS QG 1 43 ALA H 4.030 . 6.270 3.913 2.229 4.508 . 0 0 "[ . 1 . 2]" 1
712 1 43 ALA H 1 43 ALA MB 2.620 . 3.450 2.244 2.233 2.258 . 0 0 "[ . 1 . 2]" 1
713 1 43 ALA H 1 44 GLU H 2.570 . 3.340 2.656 2.615 2.729 . 0 0 "[ . 1 . 2]" 1
714 1 43 ALA HA 1 45 LYS H 3.200 . 4.600 4.556 4.372 4.622 0.022 3 0 "[ . 1 . 2]" 1
715 1 43 ALA HA 1 46 GLN H 2.730 . 3.660 3.544 3.442 3.681 0.021 3 0 "[ . 1 . 2]" 1
716 1 43 ALA HA 1 46 GLN HB2 2.660 . 3.520 3.286 2.844 3.539 0.019 4 0 "[ . 1 . 2]" 1
717 1 43 ALA HA 1 46 GLN QB 2.560 . 3.330 2.757 2.471 3.079 . 0 0 "[ . 1 . 2]" 1
718 1 43 ALA HA 1 46 GLN HB3 2.660 . 3.520 2.988 2.623 3.385 . 0 0 "[ . 1 . 2]" 1
719 1 43 ALA MB 1 44 GLU H 3.000 . 4.210 2.425 2.374 2.460 . 0 0 "[ . 1 . 2]" 1
720 1 43 ALA MB 1 44 GLU HA 3.650 . 5.510 3.790 3.743 3.829 . 0 0 "[ . 1 . 2]" 1
721 1 43 ALA MB 1 44 GLU QG 4.850 . 7.900 3.103 2.984 3.213 . 0 0 "[ . 1 . 2]" 1
722 1 43 ALA MB 1 47 GLY H 4.350 . 6.910 4.748 4.497 5.128 . 0 0 "[ . 1 . 2]" 1
723 1 44 GLU H 1 44 GLU HB2 2.750 . 3.700 2.518 2.448 2.606 . 0 0 "[ . 1 . 2]" 1
724 1 44 GLU H 1 44 GLU QB 2.590 . 3.390 2.472 2.410 2.548 . 0 0 "[ . 1 . 2]" 1
725 1 44 GLU H 1 44 GLU HB3 2.750 . 3.700 3.596 3.576 3.624 . 0 0 "[ . 1 . 2]" 1
726 1 44 GLU H 1 44 GLU HG2 2.840 . 3.880 2.503 1.987 3.365 . 0 0 "[ . 1 . 2]" 1
727 1 44 GLU H 1 44 GLU QG 2.690 . 3.580 2.189 1.974 2.499 . 0 0 "[ . 1 . 2]" 1
728 1 44 GLU H 1 44 GLU HG3 2.840 . 3.880 3.055 2.233 3.562 . 0 0 "[ . 1 . 2]" 1
729 1 44 GLU H 1 45 LYS H 2.600 . 3.410 2.717 2.551 2.817 . 0 0 "[ . 1 . 2]" 1
730 1 44 GLU H 1 78 ILE MD 4.160 . 6.520 4.351 3.908 4.857 . 0 0 "[ . 1 . 2]" 1
731 1 44 GLU HA 1 46 GLN H 3.560 . 5.320 4.348 4.086 4.512 . 0 0 "[ . 1 . 2]" 1
732 1 44 GLU HA 1 47 GLY H 2.930 . 4.060 3.455 3.081 3.727 . 0 0 "[ . 1 . 2]" 1
733 1 44 GLU HA 1 48 VAL H 3.070 . 4.340 4.138 4.017 4.350 0.010 13 0 "[ . 1 . 2]" 1
734 1 44 GLU QB 1 45 LYS H 2.800 . 3.810 2.533 2.413 2.743 . 0 0 "[ . 1 . 2]" 1
735 1 44 GLU QB 1 48 VAL MG2 4.450 . 7.110 3.381 3.028 4.975 . 0 0 "[ . 1 . 2]" 1
736 1 44 GLU QB 1 78 ILE MD 3.880 . 5.960 2.118 1.841 2.767 . 0 0 "[ . 1 . 2]" 1
737 1 44 GLU QB 1 78 ILE QG 4.330 . 6.860 2.154 1.901 2.631 . 0 0 "[ . 1 . 2]" 1
738 1 44 GLU HB2 1 45 LYS H 2.890 . 3.980 2.585 2.453 2.818 . 0 0 "[ . 1 . 2]" 1
739 1 44 GLU HB3 1 45 LYS H 2.890 . 3.980 3.637 3.533 3.858 . 0 0 "[ . 1 . 2]" 1
740 1 44 GLU QG 1 45 LYS H 3.550 . 5.300 4.012 3.859 4.149 . 0 0 "[ . 1 . 2]" 1
741 1 44 GLU OE1 3 1 ZN ZN 1.950 . 2.100 2.558 1.587 3.680 1.580 20 9 "[ * ** *1 - * * *+]" 1
742 1 45 LYS H 1 45 LYS HB2 2.820 . 3.840 2.321 2.136 2.458 . 0 0 "[ . 1 . 2]" 1
743 1 45 LYS H 1 45 LYS QB 2.680 . 3.560 2.289 2.116 2.421 . 0 0 "[ . 1 . 2]" 1
744 1 45 LYS H 1 45 LYS HB3 2.820 . 3.840 3.527 2.787 3.625 . 0 0 "[ . 1 . 2]" 1
745 1 45 LYS H 1 45 LYS HD2 3.680 . 5.570 4.639 4.099 5.084 . 0 0 "[ . 1 . 2]" 1
746 1 45 LYS H 1 45 LYS QD 3.540 . 5.290 3.968 3.505 4.285 . 0 0 "[ . 1 . 2]" 1
747 1 45 LYS H 1 45 LYS HD3 3.680 . 5.570 4.485 3.633 5.189 . 0 0 "[ . 1 . 2]" 1
748 1 45 LYS H 1 45 LYS HG2 3.030 . 4.270 3.244 2.359 4.514 0.244 3 0 "[ . 1 . 2]" 1
749 1 45 LYS H 1 45 LYS QG 2.850 . 3.910 2.713 2.335 3.863 . 0 0 "[ . 1 . 2]" 1
750 1 45 LYS H 1 45 LYS HG3 3.030 . 4.270 3.372 2.500 4.199 . 0 0 "[ . 1 . 2]" 1
751 1 45 LYS H 1 46 GLN H 2.600 . 3.410 2.657 2.555 2.747 . 0 0 "[ . 1 . 2]" 1
752 1 45 LYS H 1 78 ILE MD 3.400 . 5.000 2.990 2.692 3.386 . 0 0 "[ . 1 . 2]" 1
753 1 45 LYS H 1 78 ILE MG 3.450 . 5.110 4.648 3.983 5.058 . 0 0 "[ . 1 . 2]" 1
754 1 45 LYS HA 1 45 LYS HD2 3.430 . 5.060 3.769 2.795 4.733 . 0 0 "[ . 1 . 2]" 1
755 1 45 LYS HA 1 45 LYS QD 3.070 . 4.340 2.903 1.789 4.131 0.011 17 0 "[ . 1 . 2]" 1
756 1 45 LYS HA 1 45 LYS HD3 3.430 . 5.060 3.098 1.807 4.623 . 0 0 "[ . 1 . 2]" 1
757 1 45 LYS HA 1 45 LYS HG2 3.000 . 4.200 2.610 2.275 3.012 . 0 0 "[ . 1 . 2]" 1
758 1 45 LYS HA 1 45 LYS QG 2.870 . 3.950 2.490 2.163 2.892 . 0 0 "[ . 1 . 2]" 1
759 1 45 LYS HA 1 45 LYS HG3 3.000 . 4.200 3.288 2.268 3.731 . 0 0 "[ . 1 . 2]" 1
760 1 45 LYS HA 1 48 VAL H 2.940 . 4.090 3.146 2.695 3.489 . 0 0 "[ . 1 . 2]" 1
761 1 45 LYS HA 1 48 VAL HB 2.760 . 3.730 2.424 1.781 3.015 0.009 5 0 "[ . 1 . 2]" 1
762 1 45 LYS HA 1 49 LYS H 3.120 . 4.450 3.912 3.566 4.336 . 0 0 "[ . 1 . 2]" 1
763 1 45 LYS HA 1 78 ILE MD 3.310 . 4.820 2.761 2.243 3.072 . 0 0 "[ . 1 . 2]" 1
764 1 45 LYS QB 1 45 LYS QD 2.350 . 2.900 2.225 2.099 2.324 . 0 0 "[ . 1 . 2]" 1
765 1 45 LYS QB 1 46 GLN H 2.870 . 3.940 2.753 2.554 2.994 . 0 0 "[ . 1 . 2]" 1
766 1 45 LYS HB2 1 45 LYS HD2 2.710 . 3.620 3.181 2.304 3.711 0.091 10 0 "[ . 1 . 2]" 1
767 1 45 LYS HB2 1 45 LYS HD3 2.710 . 3.620 3.393 2.572 3.730 0.110 9 0 "[ . 1 . 2]" 1
768 1 45 LYS HB2 1 46 GLN H 3.030 . 4.270 2.925 2.653 3.789 . 0 0 "[ . 1 . 2]" 1
769 1 45 LYS HB3 1 45 LYS HD2 2.710 . 3.620 2.759 2.422 3.627 0.007 10 0 "[ . 1 . 2]" 1
770 1 45 LYS HB3 1 45 LYS HD3 2.710 . 3.620 2.768 2.331 3.122 . 0 0 "[ . 1 . 2]" 1
771 1 45 LYS HB3 1 46 GLN H 3.030 . 4.270 3.496 2.885 3.785 . 0 0 "[ . 1 . 2]" 1
772 1 45 LYS QD 1 46 GLN H 3.960 . 6.120 4.920 4.655 5.223 . 0 0 "[ . 1 . 2]" 1
773 1 45 LYS QD 1 78 ILE MD 4.090 . 6.390 2.838 2.051 3.974 . 0 0 "[ . 1 . 2]" 1
774 1 45 LYS QD 1 78 ILE MG 3.620 . 5.450 3.595 2.159 4.518 . 0 0 "[ . 1 . 2]" 1
775 1 45 LYS QE 1 78 ILE MD 4.470 . 7.150 2.578 1.775 4.034 0.015 19 0 "[ . 1 . 2]" 1
776 1 45 LYS QE 1 78 ILE MG 3.930 . 6.060 2.378 1.738 4.578 0.062 7 0 "[ . 1 . 2]" 1
777 1 45 LYS QG 1 46 GLN H 4.050 . 6.300 4.321 4.147 4.525 . 0 0 "[ . 1 . 2]" 1
778 1 45 LYS QG 1 78 ILE MD 3.180 . 4.560 1.968 1.733 2.468 0.067 16 0 "[ . 1 . 2]" 1
779 1 45 LYS QG 1 78 ILE MG 3.500 . 5.210 2.927 2.181 3.439 . 0 0 "[ . 1 . 2]" 1
780 1 45 LYS HG2 1 78 ILE MD 3.260 . 4.720 2.271 1.796 3.451 0.004 12 0 "[ . 1 . 2]" 1
781 1 45 LYS HG2 1 78 ILE MG 3.650 . 5.510 3.394 2.215 4.478 . 0 0 "[ . 1 . 2]" 1
782 1 45 LYS HG3 1 78 ILE MD 3.260 . 4.720 2.727 1.759 3.724 0.041 5 0 "[ . 1 . 2]" 1
783 1 45 LYS HG3 1 78 ILE MG 3.650 . 5.510 3.495 2.536 4.456 . 0 0 "[ . 1 . 2]" 1
784 1 46 GLN H 1 46 GLN HB2 2.510 . 3.230 2.423 2.169 2.567 . 0 0 "[ . 1 . 2]" 1
785 1 46 GLN H 1 46 GLN HB3 2.510 . 3.230 2.631 2.477 2.883 . 0 0 "[ . 1 . 2]" 1
786 1 46 GLN H 1 46 GLN HG2 3.430 . 5.060 4.528 4.129 4.625 . 0 0 "[ . 1 . 2]" 1
787 1 46 GLN H 1 46 GLN QG 3.280 . 4.770 4.016 3.814 4.075 . 0 0 "[ . 1 . 2]" 1
788 1 46 GLN H 1 46 GLN HG3 3.430 . 5.060 4.496 4.435 4.582 . 0 0 "[ . 1 . 2]" 1
789 1 46 GLN H 1 47 GLY H 2.510 . 3.230 2.649 2.559 2.696 . 0 0 "[ . 1 . 2]" 1
790 1 46 GLN H 1 48 VAL H 3.340 . 4.880 4.126 4.026 4.320 . 0 0 "[ . 1 . 2]" 1
791 1 46 GLN HA 1 49 LYS H 2.870 . 3.950 3.602 3.246 3.937 . 0 0 "[ . 1 . 2]" 1
792 1 46 GLN HA 1 49 LYS HB2 2.850 . 3.910 3.410 2.698 3.921 0.011 12 0 "[ . 1 . 2]" 1
793 1 46 GLN HA 1 49 LYS QB 2.700 . 3.610 2.878 2.519 3.267 . 0 0 "[ . 1 . 2]" 1
794 1 46 GLN HA 1 49 LYS HB3 2.850 . 3.910 3.168 2.662 3.911 0.001 19 0 "[ . 1 . 2]" 1
795 1 46 GLN QB 1 47 GLY H 2.680 . 3.570 2.476 2.400 2.558 . 0 0 "[ . 1 . 2]" 1
796 1 46 GLN HB2 1 47 GLY H 2.760 . 3.730 3.732 3.451 3.844 0.114 1 0 "[ . 1 . 2]" 1
797 1 46 GLN HB3 1 47 GLY H 2.760 . 3.730 2.513 2.434 2.605 . 0 0 "[ . 1 . 2]" 1
798 1 46 GLN QE 1 50 VAL MG1 3.700 . 5.600 3.387 1.862 4.860 . 0 0 "[ . 1 . 2]" 1
799 1 46 GLN QE 1 50 VAL MG2 4.480 . 7.160 3.440 2.120 4.791 . 0 0 "[ . 1 . 2]" 1
800 1 46 GLN HE21 1 50 VAL MG1 3.940 . 6.080 3.715 2.356 5.321 . 0 0 "[ . 1 . 2]" 1
801 1 46 GLN HE22 1 50 VAL MG1 3.940 . 6.080 4.177 1.889 6.091 0.011 19 0 "[ . 1 . 2]" 1
802 1 47 GLY H 1 48 VAL H 2.690 . 3.590 2.715 2.633 2.834 . 0 0 "[ . 1 . 2]" 1
803 1 47 GLY QA 1 50 VAL HB 3.640 . 5.480 4.286 2.946 5.252 . 0 0 "[ . 1 . 2]" 1
804 1 47 GLY QA 1 50 VAL MG2 4.180 . 6.570 2.478 1.935 3.504 . 0 0 "[ . 1 . 2]" 1
805 1 48 VAL H 1 48 VAL HB 2.460 . 3.120 2.522 2.296 2.644 . 0 0 "[ . 1 . 2]" 1
806 1 48 VAL H 1 48 VAL MG1 3.240 . 4.680 3.711 2.577 3.784 . 0 0 "[ . 1 . 2]" 1
807 1 48 VAL H 1 48 VAL MG2 2.820 . 3.850 2.167 2.001 3.684 . 0 0 "[ . 1 . 2]" 1
808 1 48 VAL H 1 49 LYS H 2.670 . 3.550 2.774 2.639 2.843 . 0 0 "[ . 1 . 2]" 1
809 1 48 VAL H 1 78 ILE MD 4.410 . 7.020 4.428 3.898 4.797 . 0 0 "[ . 1 . 2]" 1
810 1 48 VAL HA 1 51 TYR H 3.290 . 4.780 3.543 3.390 3.650 . 0 0 "[ . 1 . 2]" 1
811 1 48 VAL HA 1 51 TYR HB2 2.930 . 4.060 2.489 2.256 2.652 . 0 0 "[ . 1 . 2]" 1
812 1 48 VAL HA 1 51 TYR QB 2.770 . 3.740 2.465 2.239 2.616 . 0 0 "[ . 1 . 2]" 1
813 1 48 VAL HA 1 51 TYR HB3 2.930 . 4.060 4.005 3.741 4.087 0.027 6 0 "[ . 1 . 2]" 1
814 1 48 VAL HA 1 51 TYR QD 3.760 . 5.720 3.021 2.221 3.970 . 0 0 "[ . 1 . 2]" 1
815 1 48 VAL HA 1 51 TYR QE 4.960 . 8.130 5.044 4.120 5.801 . 0 0 "[ . 1 . 2]" 1
816 1 48 VAL HA 1 52 LYS H 3.030 . 4.270 3.795 3.500 4.082 . 0 0 "[ . 1 . 2]" 1
817 1 48 VAL HA 1 71 LEU MD1 4.210 . 6.620 4.313 3.509 5.316 . 0 0 "[ . 1 . 2]" 1
818 1 48 VAL HA 1 71 LEU MD2 3.240 . 4.680 3.061 1.988 4.282 . 0 0 "[ . 1 . 2]" 1
819 1 48 VAL HB 1 49 LYS H 2.660 . 3.520 2.697 2.470 3.693 0.173 3 0 "[ . 1 . 2]" 1
820 1 48 VAL MG1 1 49 LYS H 3.350 . 4.900 3.317 2.160 3.529 . 0 0 "[ . 1 . 2]" 1
821 1 48 VAL MG1 1 49 LYS HA 3.260 . 4.720 3.310 2.983 3.528 . 0 0 "[ . 1 . 2]" 1
822 1 48 VAL MG1 1 52 LYS QD 3.910 . 6.030 3.522 2.457 5.131 . 0 0 "[ . 1 . 2]" 1
823 1 48 VAL MG1 1 52 LYS QE 3.930 . 6.070 3.806 1.779 5.568 0.011 12 0 "[ . 1 . 2]" 1
824 1 48 VAL MG1 1 75 GLU HG2 4.410 . 7.020 3.050 1.835 4.985 . 0 0 "[ . 1 . 2]" 1
825 1 48 VAL MG1 1 75 GLU QG 4.110 . 6.420 2.936 1.823 4.515 . 0 0 "[ . 1 . 2]" 1
826 1 48 VAL MG1 1 75 GLU HG3 4.410 . 7.020 3.964 3.121 5.497 . 0 0 "[ . 1 . 2]" 1
827 1 48 VAL MG2 1 49 LYS H 3.470 . 5.150 3.884 3.788 3.965 . 0 0 "[ . 1 . 2]" 1
828 1 48 VAL MG2 1 71 LEU HA 4.370 . 6.950 3.354 2.185 4.014 . 0 0 "[ . 1 . 2]" 1
829 1 48 VAL MG2 1 74 GLU HB2 3.400 . 5.000 3.154 2.326 3.631 . 0 0 "[ . 1 . 2]" 1
830 1 48 VAL MG2 1 74 GLU HB3 3.400 . 5.000 2.087 1.753 2.877 0.047 17 0 "[ . 1 . 2]" 1
831 1 48 VAL MG2 1 74 GLU QG 4.360 . 6.930 2.704 2.287 3.404 . 0 0 "[ . 1 . 2]" 1
832 1 48 VAL MG2 1 75 GLU H 3.960 . 6.120 3.365 3.028 3.902 . 0 0 "[ . 1 . 2]" 1
833 1 48 VAL MG2 1 75 GLU HG2 4.390 . 6.980 3.305 2.127 4.863 . 0 0 "[ . 1 . 2]" 1
834 1 48 VAL MG2 1 75 GLU HG3 4.390 . 6.980 4.423 3.571 5.274 . 0 0 "[ . 1 . 2]" 1
835 1 48 VAL MG2 1 78 ILE MD 3.820 . 5.840 2.534 2.023 3.464 . 0 0 "[ . 1 . 2]" 1
836 1 48 VAL MG2 1 78 ILE QG 4.180 . 6.570 3.937 3.177 4.907 . 0 0 "[ . 1 . 2]" 1
837 1 49 LYS H 1 49 LYS HB2 2.460 . 3.120 2.406 2.012 2.640 . 0 0 "[ . 1 . 2]" 1
838 1 49 LYS H 1 49 LYS HB3 2.460 . 3.120 2.635 2.384 3.246 0.126 19 0 "[ . 1 . 2]" 1
839 1 49 LYS H 1 49 LYS QD 4.230 . 6.670 4.283 2.915 4.716 . 0 0 "[ . 1 . 2]" 1
840 1 49 LYS H 1 49 LYS HG2 3.900 . 6.000 4.476 4.163 4.624 . 0 0 "[ . 1 . 2]" 1
841 1 49 LYS H 1 49 LYS QG 3.580 . 5.370 3.967 3.813 4.059 . 0 0 "[ . 1 . 2]" 1
842 1 49 LYS H 1 49 LYS HG3 3.900 . 6.000 4.438 4.318 4.515 . 0 0 "[ . 1 . 2]" 1
843 1 49 LYS H 1 50 VAL H 2.550 . 3.300 2.800 2.664 2.882 . 0 0 "[ . 1 . 2]" 1
844 1 49 LYS HA 1 49 LYS QD 3.980 . 6.160 3.134 1.842 4.257 . 0 0 "[ . 1 . 2]" 1
845 1 49 LYS HA 1 49 LYS HG2 2.850 . 3.910 3.247 2.332 3.854 . 0 0 "[ . 1 . 2]" 1
846 1 49 LYS HA 1 49 LYS QG 2.740 . 3.680 2.592 2.303 3.122 . 0 0 "[ . 1 . 2]" 1
847 1 49 LYS HA 1 49 LYS HG3 2.850 . 3.910 2.883 2.457 3.670 . 0 0 "[ . 1 . 2]" 1
848 1 49 LYS HA 1 52 LYS HB2 2.960 . 4.130 3.337 2.595 4.108 . 0 0 "[ . 1 . 2]" 1
849 1 49 LYS HA 1 52 LYS QB 2.690 . 3.580 2.919 2.571 3.420 . 0 0 "[ . 1 . 2]" 1
850 1 49 LYS HA 1 52 LYS HB3 2.960 . 4.130 3.736 3.034 4.242 0.112 6 0 "[ . 1 . 2]" 1
851 1 49 LYS QB 1 50 VAL H 2.740 . 3.680 2.430 2.298 2.613 . 0 0 "[ . 1 . 2]" 1
852 1 49 LYS HB2 1 50 VAL H 2.940 . 4.090 3.720 3.053 3.902 . 0 0 "[ . 1 . 2]" 1
853 1 49 LYS HB3 1 50 VAL H 2.940 . 4.090 2.470 2.320 2.839 . 0 0 "[ . 1 . 2]" 1
854 1 50 VAL H 1 50 VAL HB 2.690 . 3.590 3.280 2.587 3.648 0.058 12 0 "[ . 1 . 2]" 1
855 1 50 VAL H 1 50 VAL MG2 2.890 . 3.990 1.970 1.794 2.086 . 0 0 "[ . 1 . 2]" 1
856 1 50 VAL H 1 51 TYR H 2.660 . 3.520 2.587 2.543 2.626 . 0 0 "[ . 1 . 2]" 1
857 1 50 VAL HA 1 53 GLU H 2.870 . 3.950 3.420 3.130 3.663 . 0 0 "[ . 1 . 2]" 1
858 1 50 VAL HA 1 53 GLU HB2 2.760 . 3.730 3.243 2.298 3.755 0.025 10 0 "[ . 1 . 2]" 1
859 1 50 VAL HA 1 53 GLU QB 2.680 . 3.570 2.681 2.278 3.172 . 0 0 "[ . 1 . 2]" 1
860 1 50 VAL HA 1 53 GLU HB3 2.760 . 3.730 2.960 2.431 3.764 0.034 4 0 "[ . 1 . 2]" 1
861 1 50 VAL HB 1 51 TYR H 2.930 . 4.060 3.380 2.495 3.917 . 0 0 "[ . 1 . 2]" 1
862 1 50 VAL MG1 1 51 TYR H 3.870 . 5.940 3.897 3.529 4.177 . 0 0 "[ . 1 . 2]" 1
863 1 50 VAL MG2 1 51 TYR H 3.290 . 4.790 2.778 2.145 3.786 . 0 0 "[ . 1 . 2]" 1
864 1 51 TYR H 1 51 TYR HB2 2.850 . 3.910 2.323 2.199 2.481 . 0 0 "[ . 1 . 2]" 1
865 1 51 TYR H 1 51 TYR QB 2.690 . 3.580 2.294 2.177 2.440 . 0 0 "[ . 1 . 2]" 1
866 1 51 TYR H 1 51 TYR HB3 2.850 . 3.910 3.568 3.503 3.607 . 0 0 "[ . 1 . 2]" 1
867 1 51 TYR H 1 51 TYR QE 4.590 . 7.380 4.801 4.592 4.978 . 0 0 "[ . 1 . 2]" 1
868 1 51 TYR H 1 52 LYS H 2.670 . 3.550 2.667 2.585 2.780 . 0 0 "[ . 1 . 2]" 1
869 1 51 TYR HA 1 54 ALA H 3.000 . 4.200 3.363 3.061 3.638 . 0 0 "[ . 1 . 2]" 1
870 1 51 TYR HA 1 54 ALA MB 2.970 . 4.140 2.659 2.140 3.019 . 0 0 "[ . 1 . 2]" 1
871 1 51 TYR HA 1 55 ALA H 3.680 . 5.570 3.950 3.564 4.189 . 0 0 "[ . 1 . 2]" 1
872 1 51 TYR HA 1 67 ILE MG 3.700 . 5.610 3.064 2.648 3.511 . 0 0 "[ . 1 . 2]" 1
873 1 51 TYR QB 1 52 LYS H 2.910 . 4.020 2.630 2.465 2.786 . 0 0 "[ . 1 . 2]" 1
874 1 51 TYR QB 1 67 ILE MG 3.660 . 5.520 2.368 1.897 3.191 . 0 0 "[ . 1 . 2]" 1
875 1 51 TYR QB 1 71 LEU MD1 3.760 . 5.720 3.186 1.919 4.495 . 0 0 "[ . 1 . 2]" 1
876 1 51 TYR QB 1 71 LEU MD2 3.310 . 4.830 2.842 1.759 4.362 0.031 3 0 "[ . 1 . 2]" 1
877 1 51 TYR QB 1 71 LEU HG 3.870 . 5.940 3.048 1.722 4.109 0.078 7 0 "[ . 1 . 2]" 1
878 1 51 TYR HB2 1 52 LYS H 3.000 . 4.200 2.736 2.538 2.971 . 0 0 "[ . 1 . 2]" 1
879 1 51 TYR HB2 1 67 ILE MG 3.870 . 5.940 3.812 3.398 4.594 . 0 0 "[ . 1 . 2]" 1
880 1 51 TYR HB2 1 71 LEU MD1 3.890 . 5.980 3.884 2.417 5.108 . 0 0 "[ . 1 . 2]" 1
881 1 51 TYR HB2 1 71 LEU MD2 3.400 . 5.000 3.179 1.816 4.792 . 0 0 "[ . 1 . 2]" 1
882 1 51 TYR HB3 1 52 LYS H 3.000 . 4.200 3.431 3.195 3.633 . 0 0 "[ . 1 . 2]" 1
883 1 51 TYR HB3 1 67 ILE MG 3.870 . 5.940 2.393 1.907 3.255 . 0 0 "[ . 1 . 2]" 1
884 1 51 TYR HB3 1 71 LEU MD1 3.890 . 5.980 3.444 1.957 5.048 . 0 0 "[ . 1 . 2]" 1
885 1 51 TYR HB3 1 71 LEU MD2 3.400 . 5.000 3.262 1.815 5.067 0.067 13 0 "[ . 1 . 2]" 1
886 1 51 TYR QD 1 54 ALA MB 3.980 . 6.160 3.684 2.891 4.485 . 0 0 "[ . 1 . 2]" 1
887 1 51 TYR QD 1 67 ILE MD 3.870 . 5.940 3.693 2.896 4.602 . 0 0 "[ . 1 . 2]" 1
888 1 51 TYR QD 1 67 ILE QG 4.700 . 7.600 3.756 2.354 5.222 . 0 0 "[ . 1 . 2]" 1
889 1 51 TYR QD 1 67 ILE MG 3.670 . 5.550 2.389 1.748 3.267 0.042 9 0 "[ . 1 . 2]" 1
890 1 51 TYR QD 1 70 ILE MG 4.370 . 6.950 3.623 2.631 4.552 . 0 0 "[ . 1 . 2]" 1
891 1 51 TYR QD 1 71 LEU MD1 5.470 . 9.150 4.714 3.541 6.096 . 0 0 "[ . 1 . 2]" 1
892 1 51 TYR QD 1 71 LEU MD2 3.810 . 5.830 4.149 3.171 5.681 . 0 0 "[ . 1 . 2]" 1
893 1 51 TYR QE 1 67 ILE MD 5.470 . 9.150 4.652 3.799 5.644 . 0 0 "[ . 1 . 2]" 1
894 1 51 TYR QE 1 67 ILE MG 4.090 . 6.380 3.839 2.445 4.392 . 0 0 "[ . 1 . 2]" 1
895 1 51 TYR QE 1 70 ILE MD 3.760 . 5.730 4.056 2.564 5.314 . 0 0 "[ . 1 . 2]" 1
896 1 51 TYR QE 1 70 ILE MG 3.730 . 5.660 3.206 2.195 4.630 . 0 0 "[ . 1 . 2]" 1
897 1 51 TYR QE 1 111 ILE MD 3.670 . 5.550 3.289 2.169 4.450 . 0 0 "[ . 1 . 2]" 1
898 1 51 TYR QE 1 111 ILE MG 3.710 . 5.620 4.563 3.613 5.610 . 0 0 "[ . 1 . 2]" 1
899 1 52 LYS H 1 52 LYS HB2 2.660 . 3.520 2.328 2.049 2.531 . 0 0 "[ . 1 . 2]" 1
900 1 52 LYS H 1 52 LYS QB 2.510 . 3.230 2.220 2.028 2.334 . 0 0 "[ . 1 . 2]" 1
901 1 52 LYS H 1 52 LYS HB3 2.660 . 3.520 3.052 2.523 3.575 0.055 7 0 "[ . 1 . 2]" 1
902 1 52 LYS H 1 52 LYS QD 4.340 . 6.880 4.286 3.611 4.674 . 0 0 "[ . 1 . 2]" 1
903 1 52 LYS H 1 52 LYS HG2 3.160 . 4.520 4.003 2.521 4.540 0.020 5 0 "[ . 1 . 2]" 1
904 1 52 LYS H 1 52 LYS QG 2.940 . 4.080 3.373 2.481 3.977 . 0 0 "[ . 1 . 2]" 1
905 1 52 LYS H 1 52 LYS HG3 3.160 . 4.520 3.810 2.523 4.491 . 0 0 "[ . 1 . 2]" 1
906 1 52 LYS H 1 53 GLU H 2.660 . 3.520 2.670 2.521 2.785 . 0 0 "[ . 1 . 2]" 1
907 1 52 LYS H 1 71 LEU MD1 4.210 . 6.620 3.685 2.751 4.948 . 0 0 "[ . 1 . 2]" 1
908 1 52 LYS H 1 71 LEU MD2 3.310 . 4.820 3.514 2.330 4.859 0.039 8 0 "[ . 1 . 2]" 1
909 1 52 LYS HA 1 52 LYS QD 4.030 . 6.270 3.648 1.983 4.254 . 0 0 "[ . 1 . 2]" 1
910 1 52 LYS HA 1 55 ALA H 2.780 . 3.770 3.437 3.043 3.780 0.010 15 0 "[ . 1 . 2]" 1
911 1 52 LYS HA 1 71 LEU MD1 3.470 . 5.150 2.802 1.763 4.483 0.027 9 0 "[ . 1 . 2]" 1
912 1 52 LYS HA 1 71 LEU MD2 3.600 . 5.400 3.616 2.557 4.928 . 0 0 "[ . 1 . 2]" 1
913 1 52 LYS QB 1 53 GLU H 2.700 . 3.610 2.634 2.456 2.769 . 0 0 "[ . 1 . 2]" 1
914 1 52 LYS HB2 1 53 GLU H 2.820 . 3.840 3.343 2.708 3.865 0.025 1 0 "[ . 1 . 2]" 1
915 1 52 LYS HB3 1 53 GLU H 2.820 . 3.840 2.978 2.492 3.625 . 0 0 "[ . 1 . 2]" 1
916 1 52 LYS QE 1 71 LEU MD1 4.600 . 7.400 3.658 1.804 4.892 . 0 0 "[ . 1 . 2]" 1
917 1 52 LYS QE 1 71 LEU MD2 4.610 . 7.430 3.815 1.841 5.365 . 0 0 "[ . 1 . 2]" 1
918 1 53 GLU H 1 53 GLU HB2 2.600 . 3.410 2.402 2.062 2.545 . 0 0 "[ . 1 . 2]" 1
919 1 53 GLU H 1 53 GLU HB3 2.600 . 3.410 2.647 2.491 3.334 . 0 0 "[ . 1 . 2]" 1
920 1 53 GLU H 1 53 GLU HG2 3.290 . 4.780 4.406 3.358 4.604 . 0 0 "[ . 1 . 2]" 1
921 1 53 GLU H 1 53 GLU QG 3.190 . 4.590 3.919 3.231 4.047 . 0 0 "[ . 1 . 2]" 1
922 1 53 GLU H 1 53 GLU HG3 3.290 . 4.780 4.417 4.203 4.497 . 0 0 "[ . 1 . 2]" 1
923 1 53 GLU H 1 54 ALA H 2.600 . 3.410 2.650 2.551 2.803 . 0 0 "[ . 1 . 2]" 1
924 1 53 GLU HA 1 53 GLU HG2 2.850 . 3.910 3.139 2.357 3.791 . 0 0 "[ . 1 . 2]" 1
925 1 53 GLU HA 1 53 GLU HG3 2.850 . 3.910 2.812 2.389 3.621 . 0 0 "[ . 1 . 2]" 1
926 1 53 GLU HA 1 55 ALA H 3.610 . 5.420 4.423 4.176 4.894 . 0 0 "[ . 1 . 2]" 1
927 1 53 GLU QB 1 54 ALA H 2.780 . 3.760 2.473 2.346 2.605 . 0 0 "[ . 1 . 2]" 1
928 1 53 GLU HB2 1 54 ALA H 2.870 . 3.950 3.687 2.973 3.840 . 0 0 "[ . 1 . 2]" 1
929 1 53 GLU HB3 1 54 ALA H 2.870 . 3.950 2.523 2.371 2.831 . 0 0 "[ . 1 . 2]" 1
930 1 54 ALA H 1 55 ALA H 2.600 . 3.410 2.580 2.482 2.662 . 0 0 "[ . 1 . 2]" 1
931 1 54 ALA H 1 67 ILE MG 4.410 . 7.020 4.534 4.045 5.390 . 0 0 "[ . 1 . 2]" 1
932 1 54 ALA HA 1 56 GLU H 3.540 . 5.280 4.397 4.011 4.767 . 0 0 "[ . 1 . 2]" 1
933 1 54 ALA HA 1 57 LYS H 2.800 . 3.800 3.494 3.101 3.807 0.007 9 0 "[ . 1 . 2]" 1
934 1 54 ALA HA 1 57 LYS HB2 2.980 . 4.160 3.237 2.000 4.187 0.027 10 0 "[ . 1 . 2]" 1
935 1 54 ALA HA 1 57 LYS HB3 2.980 . 4.160 3.256 1.776 4.226 0.066 6 0 "[ . 1 . 2]" 1
936 1 54 ALA MB 1 55 ALA H 2.710 . 3.630 2.693 2.523 2.794 . 0 0 "[ . 1 . 2]" 1
937 1 54 ALA MB 1 57 LYS QB 4.110 . 6.420 3.940 3.295 4.361 . 0 0 "[ . 1 . 2]" 1
938 1 54 ALA MB 1 67 ILE MD 4.110 . 6.420 2.606 1.874 3.427 . 0 0 "[ . 1 . 2]" 1
939 1 54 ALA MB 1 67 ILE MG 4.450 . 7.100 3.039 2.231 3.880 . 0 0 "[ . 1 . 2]" 1
940 1 55 ALA H 1 56 GLU H 2.600 . 3.410 2.757 2.672 2.860 . 0 0 "[ . 1 . 2]" 1
941 1 55 ALA H 1 57 LYS H 3.380 . 4.960 3.906 3.659 4.086 . 0 0 "[ . 1 . 2]" 1
942 1 55 ALA H 1 67 ILE MD 3.720 . 5.650 3.851 2.951 5.329 . 0 0 "[ . 1 . 2]" 1
943 1 55 ALA H 1 67 ILE MG 3.160 . 4.530 3.217 2.806 4.508 . 0 0 "[ . 1 . 2]" 1
944 1 55 ALA HA 1 58 ALA H 2.960 . 4.130 3.902 3.491 4.163 0.033 19 0 "[ . 1 . 2]" 1
945 1 55 ALA HA 1 58 ALA MB 3.290 . 4.790 2.776 2.228 3.324 . 0 0 "[ . 1 . 2]" 1
946 1 55 ALA HA 1 67 ILE MD 3.380 . 4.970 2.896 1.974 4.830 . 0 0 "[ . 1 . 2]" 1
947 1 55 ALA HA 1 67 ILE MG 3.470 . 5.150 3.135 2.538 4.275 . 0 0 "[ . 1 . 2]" 1
948 1 55 ALA MB 1 56 GLU H 2.950 . 4.100 2.536 2.417 2.723 . 0 0 "[ . 1 . 2]" 1
949 1 55 ALA MB 1 67 ILE H 3.740 . 5.690 5.209 4.308 5.750 0.060 20 0 "[ . 1 . 2]" 1
950 1 55 ALA MB 1 67 ILE HB 3.670 . 5.540 3.158 2.324 3.863 . 0 0 "[ . 1 . 2]" 1
951 1 55 ALA MB 1 67 ILE MD 4.250 . 6.710 3.464 2.470 4.914 . 0 0 "[ . 1 . 2]" 1
952 1 55 ALA MB 1 67 ILE MG 3.730 . 5.660 2.241 1.911 3.341 . 0 0 "[ . 1 . 2]" 1
953 1 56 GLU H 1 56 GLU HG2 2.980 . 4.160 2.645 1.787 4.157 0.013 2 0 "[ . 1 . 2]" 1
954 1 56 GLU H 1 56 GLU HG3 2.980 . 4.160 3.219 2.350 3.891 . 0 0 "[ . 1 . 2]" 1
955 1 56 GLU H 1 57 LYS H 2.460 . 3.120 2.510 2.269 2.722 . 0 0 "[ . 1 . 2]" 1
956 1 56 GLU HA 1 58 ALA H 3.200 . 4.600 3.710 3.084 4.266 . 0 0 "[ . 1 . 2]" 1
957 1 56 GLU HA 1 58 ALA MB 4.410 . 7.020 4.527 3.848 5.211 . 0 0 "[ . 1 . 2]" 1
958 1 56 GLU QB 1 58 ALA H 4.050 . 6.300 4.806 4.384 5.108 . 0 0 "[ . 1 . 2]" 1
959 1 57 LYS H 1 57 LYS HB2 2.640 . 3.480 2.703 2.304 3.121 . 0 0 "[ . 1 . 2]" 1
960 1 57 LYS H 1 57 LYS QB 2.490 . 3.190 2.446 2.133 2.689 . 0 0 "[ . 1 . 2]" 1
961 1 57 LYS H 1 57 LYS HB3 2.640 . 3.480 3.133 2.188 3.660 0.180 7 0 "[ . 1 . 2]" 1
962 1 57 LYS H 1 57 LYS HG2 3.470 . 5.140 4.278 2.878 4.725 . 0 0 "[ . 1 . 2]" 1
963 1 57 LYS H 1 57 LYS QG 3.350 . 4.900 3.628 2.770 4.192 . 0 0 "[ . 1 . 2]" 1
964 1 57 LYS H 1 57 LYS HG3 3.470 . 5.140 4.065 2.841 4.810 . 0 0 "[ . 1 . 2]" 1
965 1 57 LYS HA 1 57 LYS QD 4.000 . 6.200 3.726 1.896 4.196 . 0 0 "[ . 1 . 2]" 1
966 1 57 LYS HA 1 57 LYS QG 2.830 . 3.870 2.426 2.224 3.068 . 0 0 "[ . 1 . 2]" 1
967 1 57 LYS QB 1 58 ALA H 3.000 . 4.210 3.580 2.938 3.826 . 0 0 "[ . 1 . 2]" 1
968 1 57 LYS HB2 1 58 ALA H 3.180 . 4.560 4.155 3.477 4.527 . 0 0 "[ . 1 . 2]" 1
969 1 57 LYS HB3 1 58 ALA H 3.180 . 4.560 4.007 3.027 4.376 . 0 0 "[ . 1 . 2]" 1
970 1 57 LYS QG 1 58 ALA H 3.800 . 5.810 4.441 3.634 4.722 . 0 0 "[ . 1 . 2]" 1
971 1 57 LYS HG2 1 58 ALA H 3.900 . 6.000 4.968 4.471 5.312 . 0 0 "[ . 1 . 2]" 1
972 1 57 LYS HG3 1 58 ALA H 3.900 . 6.000 5.094 3.775 5.911 . 0 0 "[ . 1 . 2]" 1
973 1 58 ALA H 1 58 ALA MB 2.660 . 3.530 2.257 2.224 2.295 . 0 0 "[ . 1 . 2]" 1
974 1 58 ALA H 1 67 ILE MD 4.410 . 7.020 5.131 3.697 6.835 . 0 0 "[ . 1 . 2]" 1
975 1 58 ALA HA 1 59 ARG QG 4.140 . 6.490 4.193 3.119 5.797 . 0 0 "[ . 1 . 2]" 1
976 1 58 ALA MB 1 63 LYS H 4.410 . 7.020 4.747 3.838 5.473 . 0 0 "[ . 1 . 2]" 1
977 1 58 ALA MB 1 63 LYS HA 4.190 . 6.590 5.300 3.910 6.600 0.010 20 0 "[ . 1 . 2]" 1
978 1 58 ALA MB 1 63 LYS QB 3.530 . 5.270 3.155 1.860 4.348 . 0 0 "[ . 1 . 2]" 1
979 1 58 ALA MB 1 64 ARG H 3.450 . 5.110 3.386 2.604 4.031 . 0 0 "[ . 1 . 2]" 1
980 1 58 ALA MB 1 64 ARG HA 3.470 . 5.150 3.055 2.081 4.026 . 0 0 "[ . 1 . 2]" 1
981 1 58 ALA MB 1 64 ARG QB 3.510 . 5.230 2.425 2.082 3.470 . 0 0 "[ . 1 . 2]" 1
982 1 58 ALA MB 1 67 ILE MD 4.140 . 6.490 3.056 2.137 4.604 . 0 0 "[ . 1 . 2]" 1
983 1 59 ARG HA 1 59 ARG QD 3.460 . 5.120 3.668 2.044 4.477 . 0 0 "[ . 1 . 2]" 1
984 1 60 ASN HA 1 61 PRO HD2 2.400 . 3.010 2.270 1.830 2.624 . 0 0 "[ . 1 . 2]" 1
985 1 60 ASN HA 1 61 PRO QD 2.310 . 2.820 1.904 1.779 2.111 0.021 4 0 "[ . 1 . 2]" 1
986 1 60 ASN HA 1 61 PRO HD3 2.400 . 3.010 2.191 1.811 2.503 . 0 0 "[ . 1 . 2]" 1
987 1 60 ASN HA 1 61 PRO HG2 3.660 . 5.530 4.305 4.029 4.488 . 0 0 "[ . 1 . 2]" 1
988 1 60 ASN HA 1 61 PRO QG 3.500 . 5.210 3.810 3.690 4.002 . 0 0 "[ . 1 . 2]" 1
989 1 60 ASN HA 1 61 PRO HG3 3.660 . 5.530 4.269 3.988 4.554 . 0 0 "[ . 1 . 2]" 1
990 1 60 ASN QB 1 61 PRO HD2 3.980 . 6.160 3.317 1.996 4.139 . 0 0 "[ . 1 . 2]" 1
991 1 60 ASN QB 1 61 PRO QD 3.810 . 5.830 3.111 1.984 3.624 . 0 0 "[ . 1 . 2]" 1
992 1 60 ASN QB 1 61 PRO HD3 3.980 . 6.160 4.005 3.393 4.538 . 0 0 "[ . 1 . 2]" 1
993 1 60 ASN QB 1 63 LYS QB 3.770 . 5.750 2.739 1.774 3.786 0.016 13 0 "[ . 1 . 2]" 1
994 1 60 ASN QB 1 63 LYS QD 4.780 . 7.760 3.771 1.834 5.114 . 0 0 "[ . 1 . 2]" 1
995 1 60 ASN QB 1 63 LYS QG 4.780 . 7.760 2.997 1.757 5.077 0.043 17 0 "[ . 1 . 2]" 1
996 1 60 ASN QD 1 63 LYS QG 4.770 . 7.740 4.549 2.694 6.047 . 0 0 "[ . 1 . 2]" 1
997 1 61 PRO HA 1 64 ARG H 2.940 . 4.090 3.405 3.126 3.708 . 0 0 "[ . 1 . 2]" 1
998 1 61 PRO HA 1 64 ARG HB2 2.730 . 3.660 3.140 2.418 3.730 0.070 6 0 "[ . 1 . 2]" 1
999 1 61 PRO HA 1 64 ARG QB 2.620 . 3.440 2.529 2.148 2.938 . 0 0 "[ . 1 . 2]" 1
1000 1 61 PRO HA 1 64 ARG HB3 2.730 . 3.660 2.694 2.294 3.156 . 0 0 "[ . 1 . 2]" 1
1001 1 61 PRO QB 1 62 GLU H 2.980 . 4.160 2.829 2.302 3.302 . 0 0 "[ . 1 . 2]" 1
1002 1 61 PRO QD 1 62 GLU H 3.410 . 5.030 2.854 2.375 3.126 . 0 0 "[ . 1 . 2]" 1
1003 1 61 PRO QG 1 62 GLU H 3.210 . 4.620 3.129 2.232 4.003 . 0 0 "[ . 1 . 2]" 1
1004 1 61 PRO HG2 1 62 GLU H 3.300 . 4.810 3.266 2.246 4.333 . 0 0 "[ . 1 . 2]" 1
1005 1 61 PRO HG3 1 62 GLU H 3.300 . 4.810 4.302 3.839 4.706 . 0 0 "[ . 1 . 2]" 1
1006 1 62 GLU H 1 62 GLU HB2 2.730 . 3.660 2.589 2.349 3.633 . 0 0 "[ . 1 . 2]" 1
1007 1 62 GLU H 1 62 GLU QB 2.620 . 3.440 2.423 2.194 2.652 . 0 0 "[ . 1 . 2]" 1
1008 1 62 GLU H 1 62 GLU HB3 2.730 . 3.660 3.233 2.348 3.619 . 0 0 "[ . 1 . 2]" 1
1009 1 62 GLU H 1 62 GLU QG 3.650 . 5.510 2.875 1.886 4.071 . 0 0 "[ . 1 . 2]" 1
1010 1 62 GLU H 1 63 LYS H 2.510 . 3.230 2.656 2.517 2.784 . 0 0 "[ . 1 . 2]" 1
1011 1 62 GLU H 1 64 ARG H 3.320 . 4.850 3.965 3.709 4.165 . 0 0 "[ . 1 . 2]" 1
1012 1 62 GLU HA 1 65 GLN HB2 2.780 . 3.770 3.015 2.175 3.817 0.047 16 0 "[ . 1 . 2]" 1
1013 1 62 GLU HA 1 65 GLN HB3 2.780 . 3.770 3.266 2.207 3.873 0.103 7 0 "[ . 1 . 2]" 1
1014 1 62 GLU HB2 1 63 LYS H 2.840 . 3.880 3.071 2.429 3.910 0.030 10 0 "[ . 1 . 2]" 1
1015 1 62 GLU HB3 1 63 LYS H 2.840 . 3.880 3.383 2.488 3.965 0.085 13 0 "[ . 1 . 2]" 1
1016 1 62 GLU QG 1 63 LYS H 4.250 . 6.700 3.917 2.091 4.542 . 0 0 "[ . 1 . 2]" 1
1017 1 63 LYS H 1 63 LYS HB2 2.750 . 3.700 2.502 2.111 3.633 . 0 0 "[ . 1 . 2]" 1
1018 1 63 LYS H 1 63 LYS HB3 2.750 . 3.700 3.244 2.548 3.637 . 0 0 "[ . 1 . 2]" 1
1019 1 63 LYS H 1 63 LYS QD 4.340 . 6.880 3.861 3.089 4.639 . 0 0 "[ . 1 . 2]" 1
1020 1 63 LYS H 1 63 LYS QE 4.340 . 6.880 4.542 3.676 6.023 . 0 0 "[ . 1 . 2]" 1
1021 1 63 LYS H 1 63 LYS QG 3.660 . 5.520 2.903 1.915 4.084 . 0 0 "[ . 1 . 2]" 1
1022 1 63 LYS H 1 64 ARG H 2.690 . 3.590 2.518 2.422 2.719 . 0 0 "[ . 1 . 2]" 1
1023 1 63 LYS HA 1 63 LYS QD 3.730 . 5.660 3.045 1.949 4.378 . 0 0 "[ . 1 . 2]" 1
1024 1 63 LYS HA 1 66 VAL H 2.910 . 4.020 3.401 2.976 3.789 . 0 0 "[ . 1 . 2]" 1
1025 1 63 LYS HA 1 66 VAL HB 2.550 . 3.300 3.130 2.311 3.370 0.070 1 0 "[ . 1 . 2]" 1
1026 1 63 LYS HA 1 66 VAL MG1 4.410 . 7.020 4.377 3.693 4.676 . 0 0 "[ . 1 . 2]" 1
1027 1 63 LYS HA 1 66 VAL MG2 3.130 . 4.460 2.775 2.216 3.346 . 0 0 "[ . 1 . 2]" 1
1028 1 63 LYS HA 1 67 ILE MD 3.830 . 5.870 4.836 4.107 5.469 . 0 0 "[ . 1 . 2]" 1
1029 1 63 LYS QB 1 63 LYS QE 4.250 . 6.700 3.222 1.958 3.865 . 0 0 "[ . 1 . 2]" 1
1030 1 63 LYS HB2 1 63 LYS QE 4.340 . 6.880 3.708 2.092 4.539 . 0 0 "[ . 1 . 2]" 1
1031 1 63 LYS HB3 1 63 LYS QE 4.340 . 6.880 3.670 1.978 4.269 . 0 0 "[ . 1 . 2]" 1
1032 1 64 ARG H 1 64 ARG HB2 2.730 . 3.660 2.459 2.136 2.670 . 0 0 "[ . 1 . 2]" 1
1033 1 64 ARG H 1 64 ARG QB 2.600 . 3.410 2.243 2.084 2.317 . 0 0 "[ . 1 . 2]" 1
1034 1 64 ARG H 1 64 ARG HB3 2.730 . 3.660 2.650 2.498 2.905 . 0 0 "[ . 1 . 2]" 1
1035 1 64 ARG H 1 64 ARG QD 4.340 . 6.880 4.525 4.373 4.743 . 0 0 "[ . 1 . 2]" 1
1036 1 64 ARG H 1 64 ARG HG2 3.560 . 5.320 4.386 4.095 4.528 . 0 0 "[ . 1 . 2]" 1
1037 1 64 ARG H 1 64 ARG QG 3.480 . 5.170 3.945 3.774 3.992 . 0 0 "[ . 1 . 2]" 1
1038 1 64 ARG H 1 64 ARG HG3 3.560 . 5.320 4.480 4.306 4.564 . 0 0 "[ . 1 . 2]" 1
1039 1 64 ARG HA 1 64 ARG QD 3.710 . 5.620 3.767 2.747 4.245 . 0 0 "[ . 1 . 2]" 1
1040 1 64 ARG HA 1 67 ILE H 2.960 . 4.130 3.438 3.027 3.962 . 0 0 "[ . 1 . 2]" 1
1041 1 64 ARG HA 1 67 ILE HB 2.870 . 3.950 2.824 2.341 3.322 . 0 0 "[ . 1 . 2]" 1
1042 1 64 ARG HA 1 67 ILE MD 3.360 . 4.930 2.879 2.235 4.956 0.026 11 0 "[ . 1 . 2]" 1
1043 1 64 ARG QB 1 65 GLN H 2.890 . 3.980 2.580 2.389 2.801 . 0 0 "[ . 1 . 2]" 1
1044 1 64 ARG HB2 1 65 GLN H 3.000 . 4.200 3.800 3.487 3.992 . 0 0 "[ . 1 . 2]" 1
1045 1 64 ARG HB3 1 65 GLN H 3.000 . 4.200 2.626 2.420 2.887 . 0 0 "[ . 1 . 2]" 1
1046 1 65 GLN H 1 65 GLN HB2 2.620 . 3.440 2.279 2.026 2.484 . 0 0 "[ . 1 . 2]" 1
1047 1 65 GLN H 1 65 GLN QB 2.480 . 3.160 2.153 2.006 2.396 . 0 0 "[ . 1 . 2]" 1
1048 1 65 GLN H 1 65 GLN HB3 2.620 . 3.440 2.767 2.361 3.558 0.118 6 0 "[ . 1 . 2]" 1
1049 1 65 GLN H 1 65 GLN HG2 3.030 . 4.270 4.101 2.222 4.444 0.174 12 0 "[ . 1 . 2]" 1
1050 1 65 GLN H 1 65 GLN QG 2.910 . 4.020 3.677 2.200 3.921 . 0 0 "[ . 1 . 2]" 1
1051 1 65 GLN H 1 65 GLN HG3 3.030 . 4.270 4.261 2.404 4.460 0.190 9 0 "[ . 1 . 2]" 1
1052 1 65 GLN H 1 66 VAL H 2.530 . 3.260 2.747 2.648 2.831 . 0 0 "[ . 1 . 2]" 1
1053 1 65 GLN H 1 66 VAL MG2 4.410 . 7.020 4.135 3.987 4.317 . 0 0 "[ . 1 . 2]" 1
1054 1 65 GLN HA 1 68 ASP H 2.800 . 3.800 3.520 3.018 3.790 . 0 0 "[ . 1 . 2]" 1
1055 1 65 GLN HA 1 68 ASP HB2 2.780 . 3.770 3.366 2.216 3.817 0.047 9 0 "[ . 1 . 2]" 1
1056 1 65 GLN HA 1 68 ASP QB 2.660 . 3.520 2.511 1.781 3.043 0.019 18 0 "[ . 1 . 2]" 1
1057 1 65 GLN HA 1 68 ASP HB3 2.780 . 3.770 2.671 1.800 3.794 0.024 12 0 "[ . 1 . 2]" 1
1058 1 65 GLN HA 1 69 LYS H 2.910 . 4.020 3.969 3.587 4.170 0.150 8 0 "[ . 1 . 2]" 1
1059 1 65 GLN HB2 1 66 VAL H 2.980 . 4.160 3.578 2.566 3.864 . 0 0 "[ . 1 . 2]" 1
1060 1 65 GLN HB3 1 66 VAL H 2.980 . 4.160 2.666 2.448 3.679 . 0 0 "[ . 1 . 2]" 1
1061 1 65 GLN QG 1 66 VAL H 3.820 . 5.840 4.192 3.343 4.623 . 0 0 "[ . 1 . 2]" 1
1062 1 65 GLN HG2 1 66 VAL H 3.900 . 6.000 4.569 3.434 5.131 . 0 0 "[ . 1 . 2]" 1
1063 1 65 GLN HG3 1 66 VAL H 3.900 . 6.000 4.938 4.496 5.253 . 0 0 "[ . 1 . 2]" 1
1064 1 66 VAL H 1 66 VAL HB 2.400 . 3.010 2.540 2.469 2.596 . 0 0 "[ . 1 . 2]" 1
1065 1 66 VAL H 1 66 VAL MG1 3.330 . 4.860 3.766 3.754 3.782 . 0 0 "[ . 1 . 2]" 1
1066 1 66 VAL H 1 66 VAL MG2 2.840 . 3.890 2.060 1.986 2.204 . 0 0 "[ . 1 . 2]" 1
1067 1 66 VAL H 1 67 ILE H 2.550 . 3.300 2.730 2.643 2.849 . 0 0 "[ . 1 . 2]" 1
1068 1 66 VAL H 1 68 ASP H 3.520 . 5.240 4.079 3.887 4.208 . 0 0 "[ . 1 . 2]" 1
1069 1 66 VAL HA 1 69 LYS H 3.090 . 4.380 3.770 3.478 4.092 . 0 0 "[ . 1 . 2]" 1
1070 1 66 VAL HA 1 69 LYS QB 3.170 . 4.540 3.165 2.729 4.389 . 0 0 "[ . 1 . 2]" 1
1071 1 66 VAL HB 1 67 ILE H 2.480 . 3.160 2.435 2.332 2.540 . 0 0 "[ . 1 . 2]" 1
1072 1 66 VAL MG1 1 67 ILE H 3.220 . 4.640 3.293 3.064 3.446 . 0 0 "[ . 1 . 2]" 1
1073 1 66 VAL MG1 1 70 ILE MD 4.290 . 6.780 2.745 2.236 3.719 . 0 0 "[ . 1 . 2]" 1
1074 1 66 VAL MG2 1 67 ILE H 3.240 . 4.680 3.751 3.678 3.850 . 0 0 "[ . 1 . 2]" 1
1075 1 67 ILE H 1 67 ILE HB 2.510 . 3.230 2.536 2.352 2.607 . 0 0 "[ . 1 . 2]" 1
1076 1 67 ILE H 1 67 ILE MD 3.330 . 4.860 3.534 3.129 3.641 . 0 0 "[ . 1 . 2]" 1
1077 1 67 ILE H 1 67 ILE HG12 3.110 . 4.420 3.289 2.087 3.564 . 0 0 "[ . 1 . 2]" 1
1078 1 67 ILE H 1 67 ILE QG 2.820 . 3.850 2.067 1.963 2.308 . 0 0 "[ . 1 . 2]" 1
1079 1 67 ILE H 1 67 ILE HG13 3.110 . 4.420 2.161 1.980 3.590 . 0 0 "[ . 1 . 2]" 1
1080 1 67 ILE H 1 68 ASP H 2.640 . 3.480 2.652 2.545 2.750 . 0 0 "[ . 1 . 2]" 1
1081 1 67 ILE HA 1 70 ILE H 3.070 . 4.340 3.595 3.307 3.809 . 0 0 "[ . 1 . 2]" 1
1082 1 67 ILE HA 1 70 ILE HB 2.840 . 3.880 2.921 2.522 3.394 . 0 0 "[ . 1 . 2]" 1
1083 1 67 ILE HA 1 70 ILE MD 3.470 . 5.150 3.390 2.305 4.027 . 0 0 "[ . 1 . 2]" 1
1084 1 67 ILE HA 1 70 ILE MG 4.410 . 7.020 4.204 3.753 4.726 . 0 0 "[ . 1 . 2]" 1
1085 1 67 ILE HB 1 68 ASP H 2.530 . 3.260 2.590 2.485 2.684 . 0 0 "[ . 1 . 2]" 1
1086 1 67 ILE MD 1 68 ASP H 3.980 . 6.160 4.557 4.462 4.648 . 0 0 "[ . 1 . 2]" 1
1087 1 67 ILE MG 1 68 ASP H 3.760 . 5.720 3.434 3.019 3.579 . 0 0 "[ . 1 . 2]" 1
1088 1 68 ASP H 1 68 ASP HB2 2.640 . 3.480 2.476 2.237 2.656 . 0 0 "[ . 1 . 2]" 1
1089 1 68 ASP H 1 68 ASP QB 2.520 . 3.240 2.235 2.149 2.324 . 0 0 "[ . 1 . 2]" 1
1090 1 68 ASP H 1 68 ASP HB3 2.640 . 3.480 2.599 2.395 3.572 0.092 12 0 "[ . 1 . 2]" 1
1091 1 68 ASP H 1 69 LYS H 2.660 . 3.520 2.745 2.624 2.837 . 0 0 "[ . 1 . 2]" 1
1092 1 68 ASP HA 1 71 LEU H 2.910 . 4.020 3.441 3.038 3.852 . 0 0 "[ . 1 . 2]" 1
1093 1 68 ASP HA 1 71 LEU HB2 2.570 . 3.340 2.839 1.928 3.377 0.037 4 0 "[ . 1 . 2]" 1
1094 1 68 ASP HA 1 71 LEU HB3 2.570 . 3.340 2.835 2.192 3.495 0.155 9 0 "[ . 1 . 2]" 1
1095 1 68 ASP HA 1 71 LEU MD1 3.290 . 4.790 3.282 1.843 4.388 . 0 0 "[ . 1 . 2]" 1
1096 1 68 ASP HA 1 71 LEU MD2 4.410 . 7.020 4.444 3.939 5.140 . 0 0 "[ . 1 . 2]" 1
1097 1 68 ASP HA 1 72 GLU H 3.410 . 5.030 3.916 3.625 4.132 . 0 0 "[ . 1 . 2]" 1
1098 1 68 ASP QB 1 69 LYS H 2.800 . 3.800 2.509 2.355 2.671 . 0 0 "[ . 1 . 2]" 1
1099 1 68 ASP HB2 1 69 LYS H 2.910 . 4.020 3.772 2.641 4.013 . 0 0 "[ . 1 . 2]" 1
1100 1 68 ASP HB3 1 69 LYS H 2.910 . 4.020 2.583 2.383 3.364 . 0 0 "[ . 1 . 2]" 1
1101 1 69 LYS H 1 69 LYS QG 4.340 . 6.880 3.425 2.136 4.021 . 0 0 "[ . 1 . 2]" 1
1102 1 69 LYS H 1 70 ILE H 2.580 . 3.370 2.721 2.585 2.771 . 0 0 "[ . 1 . 2]" 1
1103 1 69 LYS HA 1 69 LYS QD 4.340 . 6.880 3.725 1.964 4.256 . 0 0 "[ . 1 . 2]" 1
1104 1 69 LYS HA 1 71 LEU H 3.360 . 4.920 4.511 4.330 4.629 . 0 0 "[ . 1 . 2]" 1
1105 1 69 LYS HA 1 72 GLU H 3.020 . 4.240 3.687 3.133 4.065 . 0 0 "[ . 1 . 2]" 1
1106 1 70 ILE H 1 70 ILE HB 2.580 . 3.370 2.411 2.255 2.528 . 0 0 "[ . 1 . 2]" 1
1107 1 70 ILE H 1 70 ILE MD 3.650 . 5.510 3.655 2.267 3.865 . 0 0 "[ . 1 . 2]" 1
1108 1 70 ILE H 1 70 ILE HG12 3.090 . 4.380 3.524 3.346 4.022 . 0 0 "[ . 1 . 2]" 1
1109 1 70 ILE H 1 70 ILE QG 2.860 . 3.920 2.366 2.096 3.518 . 0 0 "[ . 1 . 2]" 1
1110 1 70 ILE H 1 70 ILE HG13 3.090 . 4.380 2.416 2.118 3.885 . 0 0 "[ . 1 . 2]" 1
1111 1 70 ILE H 1 71 LEU H 2.710 . 3.620 2.574 2.489 2.666 . 0 0 "[ . 1 . 2]" 1
1112 1 70 ILE H 1 72 GLU H 3.290 . 4.780 4.220 4.056 4.363 . 0 0 "[ . 1 . 2]" 1
1113 1 70 ILE HA 1 73 ASP H 3.050 . 4.310 3.290 2.944 3.623 . 0 0 "[ . 1 . 2]" 1
1114 1 70 ILE HA 1 73 ASP QB 3.660 . 4.750 2.387 1.953 2.777 . 0 0 "[ . 1 . 2]" 1
1115 1 70 ILE HA 1 107 HIS HE1 2.580 . 3.370 3.311 2.984 3.453 0.083 12 0 "[ . 1 . 2]" 1
1116 1 70 ILE HB 1 71 LEU H 2.910 . 4.020 2.721 2.541 2.866 . 0 0 "[ . 1 . 2]" 1
1117 1 70 ILE MD 1 71 LEU H 4.410 . 7.020 4.726 4.184 4.911 . 0 0 "[ . 1 . 2]" 1
1118 1 70 ILE MD 1 107 HIS HA 3.470 . 5.150 2.584 2.161 3.567 . 0 0 "[ . 1 . 2]" 1
1119 1 70 ILE MD 1 107 HIS HB2 4.080 . 6.370 4.009 3.618 5.001 . 0 0 "[ . 1 . 2]" 1
1120 1 70 ILE MD 1 107 HIS QB 3.960 . 6.130 2.543 2.106 3.844 . 0 0 "[ . 1 . 2]" 1
1121 1 70 ILE MD 1 107 HIS HB3 4.080 . 6.370 2.577 2.119 3.995 . 0 0 "[ . 1 . 2]" 1
1122 1 70 ILE MD 1 107 HIS HD2 2.900 . 4.000 4.052 3.690 4.140 0.140 17 0 "[ . 1 . 2]" 1
1123 1 70 ILE MD 1 110 GLU HA 4.410 . 7.020 5.210 4.300 6.026 . 0 0 "[ . 1 . 2]" 1
1124 1 70 ILE MD 1 110 GLU HB2 3.560 . 5.330 3.117 1.771 4.498 0.019 6 0 "[ . 1 . 2]" 1
1125 1 70 ILE MD 1 110 GLU HB3 3.560 . 5.330 3.174 2.076 4.525 . 0 0 "[ . 1 . 2]" 1
1126 1 70 ILE MD 1 110 GLU QG 4.700 . 7.610 3.637 1.862 4.870 . 0 0 "[ . 1 . 2]" 1
1127 1 70 ILE MD 1 111 ILE H 4.410 . 7.020 3.924 2.945 4.637 . 0 0 "[ . 1 . 2]" 1
1128 1 70 ILE QG 1 107 HIS HD2 3.110 . 4.430 3.415 2.548 3.865 . 0 0 "[ . 1 . 2]" 1
1129 1 70 ILE MG 1 71 LEU H 3.780 . 5.760 3.326 3.004 3.445 . 0 0 "[ . 1 . 2]" 1
1130 1 70 ILE MG 1 71 LEU HA 4.410 . 7.020 3.386 3.013 3.523 . 0 0 "[ . 1 . 2]" 1
1131 1 70 ILE MG 1 74 GLU H 4.410 . 7.020 3.711 3.349 4.088 . 0 0 "[ . 1 . 2]" 1
1132 1 70 ILE MG 1 74 GLU HG2 4.410 . 7.020 3.475 2.330 4.108 . 0 0 "[ . 1 . 2]" 1
1133 1 70 ILE MG 1 74 GLU QG 4.090 . 6.390 3.381 2.252 3.978 . 0 0 "[ . 1 . 2]" 1
1134 1 70 ILE MG 1 74 GLU HG3 4.410 . 7.020 4.643 2.988 5.320 . 0 0 "[ . 1 . 2]" 1
1135 1 70 ILE MG 1 107 HIS HA 4.410 . 7.020 4.100 3.578 4.511 . 0 0 "[ . 1 . 2]" 1
1136 1 70 ILE MG 1 107 HIS HE1 2.640 . 3.490 2.889 2.613 3.303 . 0 0 "[ . 1 . 2]" 1
1137 1 71 LEU H 1 71 LEU HB2 2.750 . 3.700 2.285 2.095 2.474 . 0 0 "[ . 1 . 2]" 1
1138 1 71 LEU H 1 71 LEU QB 2.540 . 3.290 2.181 2.077 2.432 . 0 0 "[ . 1 . 2]" 1
1139 1 71 LEU H 1 71 LEU HB3 2.750 . 3.700 2.851 2.551 3.583 . 0 0 "[ . 1 . 2]" 1
1140 1 71 LEU H 1 71 LEU MD1 3.530 . 5.260 4.086 3.642 4.318 . 0 0 "[ . 1 . 2]" 1
1141 1 71 LEU H 1 71 LEU MD2 4.140 . 6.480 3.971 3.174 4.296 . 0 0 "[ . 1 . 2]" 1
1142 1 71 LEU H 1 71 LEU HG 3.250 . 4.700 4.049 2.286 4.560 . 0 0 "[ . 1 . 2]" 1
1143 1 71 LEU H 1 72 GLU H 2.710 . 3.620 2.781 2.652 2.837 . 0 0 "[ . 1 . 2]" 1
1144 1 71 LEU HA 1 71 LEU MD1 3.780 . 5.760 3.503 2.744 3.826 . 0 0 "[ . 1 . 2]" 1
1145 1 71 LEU HA 1 71 LEU MD2 3.130 . 4.460 2.379 1.815 3.084 . 0 0 "[ . 1 . 2]" 1
1146 1 71 LEU HA 1 74 GLU H 3.120 . 4.450 3.619 3.393 3.789 . 0 0 "[ . 1 . 2]" 1
1147 1 71 LEU HA 1 74 GLU HB2 3.210 . 4.630 3.141 2.688 3.511 . 0 0 "[ . 1 . 2]" 1
1148 1 71 LEU HA 1 74 GLU QB 3.060 . 4.330 2.930 2.582 3.159 . 0 0 "[ . 1 . 2]" 1
1149 1 71 LEU HA 1 74 GLU HB3 3.210 . 4.630 3.630 3.047 4.702 0.072 9 0 "[ . 1 . 2]" 1
1150 1 71 LEU HA 1 74 GLU QG 3.690 . 5.580 4.252 3.036 4.725 . 0 0 "[ . 1 . 2]" 1
1151 1 71 LEU QB 1 72 GLU H 2.960 . 4.130 2.375 2.223 2.621 . 0 0 "[ . 1 . 2]" 1
1152 1 71 LEU HB2 1 72 GLU H 3.090 . 4.380 3.405 2.374 3.739 . 0 0 "[ . 1 . 2]" 1
1153 1 71 LEU HB3 1 72 GLU H 3.090 . 4.380 2.559 2.248 3.448 . 0 0 "[ . 1 . 2]" 1
1154 1 71 LEU MD1 1 72 GLU H 4.410 . 7.020 4.055 3.029 4.657 . 0 0 "[ . 1 . 2]" 1
1155 1 71 LEU MD2 1 74 GLU QG 4.830 . 7.860 4.880 3.927 5.968 . 0 0 "[ . 1 . 2]" 1
1156 1 71 LEU MD2 1 75 GLU QG 4.850 . 7.900 3.909 2.343 6.191 . 0 0 "[ . 1 . 2]" 1
1157 1 72 GLU H 1 72 GLU HB2 2.750 . 3.700 2.394 2.068 2.674 . 0 0 "[ . 1 . 2]" 1
1158 1 72 GLU H 1 72 GLU QB 2.670 . 3.540 2.242 2.038 2.534 . 0 0 "[ . 1 . 2]" 1
1159 1 72 GLU H 1 72 GLU HB3 2.750 . 3.700 2.955 2.328 3.606 . 0 0 "[ . 1 . 2]" 1
1160 1 72 GLU H 1 72 GLU HG2 3.380 . 4.960 3.733 2.024 4.606 . 0 0 "[ . 1 . 2]" 1
1161 1 72 GLU H 1 72 GLU QG 3.170 . 4.540 3.408 2.011 4.053 . 0 0 "[ . 1 . 2]" 1
1162 1 72 GLU H 1 72 GLU HG3 3.380 . 4.960 4.194 3.469 4.545 . 0 0 "[ . 1 . 2]" 1
1163 1 72 GLU HA 1 72 GLU HG2 2.870 . 3.950 3.215 2.216 3.886 . 0 0 "[ . 1 . 2]" 1
1164 1 72 GLU HA 1 72 GLU QG 2.730 . 3.670 2.739 2.194 3.040 . 0 0 "[ . 1 . 2]" 1
1165 1 72 GLU HA 1 72 GLU HG3 2.870 . 3.950 3.298 2.546 3.821 . 0 0 "[ . 1 . 2]" 1
1166 1 72 GLU HA 1 75 GLU H 3.050 . 4.310 3.745 3.340 4.256 . 0 0 "[ . 1 . 2]" 1
1167 1 72 GLU QB 1 72 GLU QG 2.110 . 2.420 2.007 1.987 2.077 . 0 0 "[ . 1 . 2]" 1
1168 1 72 GLU QB 1 73 ASP H 2.790 . 3.790 2.621 2.422 2.765 . 0 0 "[ . 1 . 2]" 1
1169 1 72 GLU HB2 1 73 ASP H 2.870 . 3.950 3.413 2.699 3.964 0.014 20 0 "[ . 1 . 2]" 1
1170 1 72 GLU HB3 1 73 ASP H 2.870 . 3.950 2.983 2.465 3.913 . 0 0 "[ . 1 . 2]" 1
1171 1 72 GLU QG 1 73 ASP H 4.340 . 6.880 3.989 3.282 4.509 . 0 0 "[ . 1 . 2]" 1
1172 1 73 ASP H 1 73 ASP QB 2.820 . 3.590 2.156 2.050 2.239 . 0 0 "[ . 1 . 2]" 1
1173 1 73 ASP H 1 74 GLU H 2.710 . 3.620 2.612 2.519 2.713 . 0 0 "[ . 1 . 2]" 1
1174 1 73 ASP HA 1 76 LYS H 3.230 . 4.670 3.437 3.243 3.675 . 0 0 "[ . 1 . 2]" 1
1175 1 73 ASP HA 1 76 LYS HB2 3.000 . 4.200 3.012 2.485 3.681 . 0 0 "[ . 1 . 2]" 1
1176 1 73 ASP HA 1 76 LYS QB 2.830 . 3.860 2.502 2.153 2.866 . 0 0 "[ . 1 . 2]" 1
1177 1 73 ASP HA 1 76 LYS HB3 3.000 . 4.200 2.926 2.227 4.222 0.022 15 0 "[ . 1 . 2]" 1
1178 1 73 ASP QB 1 74 GLU H 3.200 . 4.350 2.500 2.304 2.677 . 0 0 "[ . 1 . 2]" 1
1179 1 73 ASP QB 1 77 HIS HE1 3.200 . 4.610 3.850 3.090 4.678 0.068 12 0 "[ . 1 . 2]" 1
1180 1 73 ASP QB 1 107 HIS HE1 2.330 . 2.670 1.812 1.687 2.576 0.103 6 0 "[ . 1 . 2]" 1
1181 1 73 ASP OD1 2 1 ZN ZN 1.950 . 2.100 2.661 1.535 3.719 1.619 17 10 "[ * **-* *** .*+ 2]" 1
1182 1 74 GLU H 1 74 GLU HG2 3.450 . 5.100 4.168 2.288 4.523 . 0 0 "[ . 1 . 2]" 1
1183 1 74 GLU H 1 74 GLU QG 3.310 . 4.820 3.798 2.269 4.041 . 0 0 "[ . 1 . 2]" 1
1184 1 74 GLU H 1 74 GLU HG3 3.450 . 5.100 4.462 3.730 4.563 . 0 0 "[ . 1 . 2]" 1
1185 1 74 GLU H 1 75 GLU H 2.710 . 3.620 2.716 2.598 2.811 . 0 0 "[ . 1 . 2]" 1
1186 1 74 GLU HA 1 77 HIS HB2 3.180 . 4.560 3.085 2.737 3.299 . 0 0 "[ . 1 . 2]" 1
1187 1 74 GLU HA 1 77 HIS QB 3.110 . 4.420 3.034 2.700 3.232 . 0 0 "[ . 1 . 2]" 1
1188 1 74 GLU HA 1 77 HIS HB3 3.180 . 4.560 4.486 4.133 4.638 0.078 18 0 "[ . 1 . 2]" 1
1189 1 74 GLU OE1 3 1 ZN ZN 1.950 . 2.100 3.164 1.655 3.616 1.516 10 16 "[ *-***** +** ******]" 1
1190 1 74 GLU OE2 4 1 ZN ZN 1.950 . 2.100 2.871 1.597 3.311 1.211 3 16 "[ *+***** *** ****-*]" 1
1191 1 75 GLU H 1 75 GLU HB2 2.400 . 3.010 2.261 2.097 2.391 . 0 0 "[ . 1 . 2]" 1
1192 1 75 GLU H 1 75 GLU HB3 2.620 . 3.440 3.327 2.629 3.573 0.133 14 0 "[ . 1 . 2]" 1
1193 1 75 GLU H 1 75 GLU HG2 3.140 . 4.490 3.414 2.492 4.546 0.056 4 0 "[ . 1 . 2]" 1
1194 1 75 GLU H 1 75 GLU QG 2.950 . 4.100 3.234 2.462 4.059 . 0 0 "[ . 1 . 2]" 1
1195 1 75 GLU H 1 75 GLU HG3 3.140 . 4.490 4.267 3.823 4.583 0.093 19 0 "[ . 1 . 2]" 1
1196 1 75 GLU H 1 76 LYS H 2.640 . 3.480 2.591 2.532 2.655 . 0 0 "[ . 1 . 2]" 1
1197 1 75 GLU H 1 78 ILE MD 3.810 . 5.830 4.260 3.891 4.654 . 0 0 "[ . 1 . 2]" 1
1198 1 75 GLU HA 1 75 GLU HG2 2.930 . 4.060 3.138 2.575 3.587 . 0 0 "[ . 1 . 2]" 1
1199 1 75 GLU HA 1 75 GLU QG 2.790 . 3.780 2.835 2.533 2.960 . 0 0 "[ . 1 . 2]" 1
1200 1 75 GLU HA 1 75 GLU HG3 2.930 . 4.060 3.444 2.686 3.759 . 0 0 "[ . 1 . 2]" 1
1201 1 75 GLU HA 1 77 HIS H 3.090 . 4.380 4.174 4.034 4.326 . 0 0 "[ . 1 . 2]" 1
1202 1 75 GLU HA 1 78 ILE H 3.450 . 5.100 3.315 3.146 3.470 . 0 0 "[ . 1 . 2]" 1
1203 1 75 GLU HA 1 78 ILE HB 2.670 . 3.550 2.836 2.534 3.113 . 0 0 "[ . 1 . 2]" 1
1204 1 75 GLU HA 1 78 ILE MD 2.810 . 3.820 2.193 1.773 2.618 0.027 16 0 "[ . 1 . 2]" 1
1205 1 75 GLU HA 1 78 ILE MG 3.270 . 4.750 4.149 3.882 4.390 . 0 0 "[ . 1 . 2]" 1
1206 1 75 GLU HA 1 79 GLU H 2.960 . 4.130 4.142 3.969 4.313 0.183 7 0 "[ . 1 . 2]" 1
1207 1 75 GLU HB2 1 75 GLU HG2 2.240 . 2.690 2.352 2.274 2.466 . 0 0 "[ . 1 . 2]" 1
1208 1 75 GLU HB2 1 75 GLU QG 2.090 . 2.390 2.181 2.151 2.274 . 0 0 "[ . 1 . 2]" 1
1209 1 75 GLU HB2 1 75 GLU HG3 2.240 . 2.690 2.628 2.400 2.970 0.280 3 0 "[ . 1 . 2]" 1
1210 1 75 GLU HB2 1 76 LYS H 2.800 . 3.800 3.133 2.583 3.805 0.005 4 0 "[ . 1 . 2]" 1
1211 1 75 GLU HB3 1 76 LYS H 2.840 . 3.880 3.238 2.524 3.599 . 0 0 "[ . 1 . 2]" 1
1212 1 75 GLU QG 1 78 ILE MD 4.260 . 6.720 3.705 3.363 4.223 . 0 0 "[ . 1 . 2]" 1
1213 1 75 GLU HG2 1 78 ILE MD 4.410 . 7.020 4.045 3.513 5.051 . 0 0 "[ . 1 . 2]" 1
1214 1 75 GLU HG3 1 78 ILE MD 4.410 . 7.020 4.451 4.070 5.114 . 0 0 "[ . 1 . 2]" 1
1215 1 76 LYS H 1 76 LYS HB2 2.730 . 3.660 2.469 2.260 2.667 . 0 0 "[ . 1 . 2]" 1
1216 1 76 LYS H 1 76 LYS QB 2.590 . 3.390 2.248 2.201 2.384 . 0 0 "[ . 1 . 2]" 1
1217 1 76 LYS H 1 76 LYS HB3 2.730 . 3.660 2.733 2.438 3.596 . 0 0 "[ . 1 . 2]" 1
1218 1 76 LYS H 1 76 LYS HG2 3.430 . 5.060 4.265 2.554 4.622 . 0 0 "[ . 1 . 2]" 1
1219 1 76 LYS H 1 76 LYS QG 3.190 . 4.580 3.690 2.367 4.071 . 0 0 "[ . 1 . 2]" 1
1220 1 76 LYS H 1 76 LYS HG3 3.430 . 5.060 4.141 2.406 4.613 . 0 0 "[ . 1 . 2]" 1
1221 1 76 LYS H 1 77 HIS H 2.600 . 3.410 2.643 2.544 2.766 . 0 0 "[ . 1 . 2]" 1
1222 1 76 LYS HA 1 76 LYS QD 4.320 . 6.850 3.710 2.010 4.290 . 0 0 "[ . 1 . 2]" 1
1223 1 76 LYS HA 1 79 GLU H 3.180 . 4.560 3.479 3.088 3.920 . 0 0 "[ . 1 . 2]" 1
1224 1 76 LYS QB 1 77 HIS H 2.900 . 4.000 2.681 2.527 2.806 . 0 0 "[ . 1 . 2]" 1
1225 1 76 LYS HB2 1 77 HIS H 3.070 . 4.340 3.708 2.723 4.078 . 0 0 "[ . 1 . 2]" 1
1226 1 76 LYS HB3 1 77 HIS H 3.070 . 4.340 2.892 2.563 3.743 . 0 0 "[ . 1 . 2]" 1
1227 1 77 HIS H 1 77 HIS HB2 2.800 . 3.800 2.540 2.487 2.613 . 0 0 "[ . 1 . 2]" 1
1228 1 77 HIS H 1 77 HIS QB 2.710 . 3.630 2.492 2.445 2.556 . 0 0 "[ . 1 . 2]" 1
1229 1 77 HIS H 1 77 HIS HB3 2.800 . 3.800 3.612 3.587 3.629 . 0 0 "[ . 1 . 2]" 1
1230 1 77 HIS H 1 77 HIS HD2 2.980 . 4.160 3.042 2.862 3.455 . 0 0 "[ . 1 . 2]" 1
1231 1 77 HIS H 1 78 ILE H 2.670 . 3.550 2.640 2.513 2.748 . 0 0 "[ . 1 . 2]" 1
1232 1 77 HIS HA 1 77 HIS HD2 2.100 . 2.400 2.487 2.414 2.568 0.168 3 0 "[ . 1 . 2]" 1
1233 1 77 HIS QB 1 100 HIS HE1 2.560 . 3.330 2.310 2.127 2.580 . 0 0 "[ . 1 . 2]" 1
1234 1 77 HIS HB2 1 100 HIS HE1 2.910 . 4.020 3.519 3.306 3.768 . 0 0 "[ . 1 . 2]" 1
1235 1 77 HIS HB3 1 100 HIS HE1 2.910 . 4.020 2.343 2.152 2.627 . 0 0 "[ . 1 . 2]" 1
1236 1 77 HIS HE1 1 103 ASP QB 3.220 . 4.650 3.823 3.301 4.342 . 0 0 "[ . 1 . 2]" 1
1237 1 77 HIS HE1 1 107 HIS HE1 2.280 . 2.760 2.658 2.105 2.883 0.123 20 0 "[ . 1 . 2]" 1
1238 1 77 HIS ND1 3 1 ZN ZN 1.950 . 2.100 2.229 2.126 2.329 0.229 4 0 "[ . 1 . 2]" 1
1239 1 77 HIS NE2 2 1 ZN ZN 1.950 . 2.100 2.366 2.232 3.230 1.130 20 1 "[ . 1 . +]" 1
1240 1 78 ILE H 1 78 ILE HB 2.510 . 3.230 2.551 2.422 2.641 . 0 0 "[ . 1 . 2]" 1
1241 1 78 ILE H 1 78 ILE MD 3.360 . 4.930 3.432 3.258 3.555 . 0 0 "[ . 1 . 2]" 1
1242 1 78 ILE H 1 78 ILE HG12 3.500 . 5.210 3.302 3.202 3.459 . 0 0 "[ . 1 . 2]" 1
1243 1 78 ILE H 1 78 ILE QG 3.340 . 4.880 1.951 1.823 2.118 . 0 0 "[ . 1 . 2]" 1
1244 1 78 ILE H 1 78 ILE HG13 3.500 . 5.210 1.966 1.834 2.138 . 0 0 "[ . 1 . 2]" 1
1245 1 78 ILE H 1 79 GLU H 2.730 . 3.660 2.718 2.627 2.788 . 0 0 "[ . 1 . 2]" 1
1246 1 78 ILE HA 1 81 HIS H 3.110 . 4.420 3.398 3.255 3.783 . 0 0 "[ . 1 . 2]" 1
1247 1 78 ILE HB 1 79 GLU H 2.660 . 3.520 2.563 2.351 2.768 . 0 0 "[ . 1 . 2]" 1
1248 1 78 ILE MD 1 79 GLU H 4.280 . 6.770 4.469 4.214 4.694 . 0 0 "[ . 1 . 2]" 1
1249 1 78 ILE MG 1 79 GLU H 3.740 . 5.690 3.448 3.278 3.623 . 0 0 "[ . 1 . 2]" 1
1250 1 78 ILE MG 1 79 GLU HA 3.270 . 4.750 3.545 3.310 3.757 . 0 0 "[ . 1 . 2]" 1
1251 1 78 ILE MG 1 79 GLU QB 4.700 . 7.610 4.601 4.103 4.973 . 0 0 "[ . 1 . 2]" 1
1252 1 78 ILE MG 1 79 GLU QG 4.830 . 7.860 4.671 3.914 5.703 . 0 0 "[ . 1 . 2]" 1
1253 1 78 ILE MG 1 82 LYS H 3.690 . 5.580 3.822 3.463 4.360 . 0 0 "[ . 1 . 2]" 1
1254 1 79 GLU H 1 79 GLU QG 3.330 . 4.870 2.967 2.102 4.057 . 0 0 "[ . 1 . 2]" 1
1255 1 79 GLU H 1 80 TRP H 2.640 . 3.480 2.732 2.600 2.842 . 0 0 "[ . 1 . 2]" 1
1256 1 79 GLU HA 1 82 LYS H 3.070 . 4.340 3.691 3.411 4.167 . 0 0 "[ . 1 . 2]" 1
1257 1 79 GLU QG 1 80 TRP H 4.340 . 6.880 3.833 1.958 4.486 . 0 0 "[ . 1 . 2]" 1
1258 1 80 TRP H 1 80 TRP HB2 2.580 . 3.370 2.660 2.413 2.824 . 0 0 "[ . 1 . 2]" 1
1259 1 80 TRP H 1 80 TRP HB3 2.580 . 3.370 2.438 2.304 2.587 . 0 0 "[ . 1 . 2]" 1
1260 1 80 TRP H 1 81 HIS H 2.620 . 3.440 2.724 2.643 2.853 . 0 0 "[ . 1 . 2]" 1
1261 1 80 TRP HA 1 80 TRP HE3 3.340 . 4.880 2.042 1.790 2.198 0.010 15 0 "[ . 1 . 2]" 1
1262 1 80 TRP HA 1 83 ALA MB 3.610 . 5.430 2.943 2.594 3.283 . 0 0 "[ . 1 . 2]" 1
1263 1 80 TRP HB2 1 80 TRP HD1 2.580 . 3.370 3.467 3.374 3.494 0.124 13 0 "[ . 1 . 2]" 1
1264 1 80 TRP HB2 1 81 HIS H 3.090 . 4.380 3.802 3.683 3.904 . 0 0 "[ . 1 . 2]" 1
1265 1 80 TRP HB3 1 80 TRP HD1 2.580 . 3.370 2.529 2.514 2.573 . 0 0 "[ . 1 . 2]" 1
1266 1 80 TRP HB3 1 81 HIS H 3.090 . 4.380 2.400 2.284 2.519 . 0 0 "[ . 1 . 2]" 1
1267 1 80 TRP HE1 1 84 ALA MB 4.410 . 7.020 4.330 3.594 5.542 . 0 0 "[ . 1 . 2]" 1
1268 1 80 TRP HE1 1 96 LEU QD 4.620 . 7.450 2.911 1.863 3.554 . 0 0 "[ . 1 . 2]" 1
1269 1 80 TRP HE3 1 81 HIS HA 3.900 . 6.000 5.778 5.331 6.025 0.025 19 0 "[ . 1 . 2]" 1
1270 1 80 TRP HE3 1 84 ALA MB 4.370 . 6.950 4.436 3.522 5.754 . 0 0 "[ . 1 . 2]" 1
1271 1 80 TRP HH2 1 96 LEU QD 3.540 . 5.290 3.416 2.524 4.536 . 0 0 "[ . 1 . 2]" 1
1272 1 80 TRP HZ2 1 96 LEU MD1 2.720 . 3.640 3.036 1.746 3.679 0.054 3 0 "[ . 1 . 2]" 1
1273 1 80 TRP HZ2 1 96 LEU MD2 2.720 . 3.640 2.843 1.765 3.697 0.057 12 0 "[ . 1 . 2]" 1
1274 1 81 HIS H 1 81 HIS QB 2.850 . 3.910 2.265 2.177 2.349 . 0 0 "[ . 1 . 2]" 1
1275 1 81 HIS H 1 81 HIS HD2 2.330 . 2.870 2.937 2.875 2.986 0.116 11 0 "[ . 1 . 2]" 1
1276 1 81 HIS H 1 82 LYS H 2.670 . 3.550 2.747 2.630 2.818 . 0 0 "[ . 1 . 2]" 1
1277 1 81 HIS H 1 83 ALA H 3.630 . 5.460 4.302 4.081 4.489 . 0 0 "[ . 1 . 2]" 1
1278 1 81 HIS HA 1 84 ALA MB 3.420 . 5.040 2.538 2.239 3.046 . 0 0 "[ . 1 . 2]" 1
1279 1 81 HIS HD2 1 82 LYS H 3.900 . 6.000 5.181 4.978 5.335 . 0 0 "[ . 1 . 2]" 1
1280 1 81 HIS HD2 1 100 HIS HE1 2.220 . 2.650 2.765 2.723 2.808 0.158 9 0 "[ . 1 . 2]" 1
1281 1 81 HIS HE1 1 93 PHE QE 3.810 . 5.830 3.497 2.043 4.152 . 0 0 "[ . 1 . 2]" 1
1282 1 82 LYS H 1 82 LYS QD 4.340 . 6.880 4.304 3.663 4.778 . 0 0 "[ . 1 . 2]" 1
1283 1 82 LYS H 1 82 LYS HG2 3.650 . 5.500 4.229 3.265 4.650 . 0 0 "[ . 1 . 2]" 1
1284 1 82 LYS H 1 82 LYS QG 3.400 . 5.010 3.559 1.962 4.083 . 0 0 "[ . 1 . 2]" 1
1285 1 82 LYS H 1 82 LYS HG3 3.650 . 5.500 3.942 1.978 4.544 . 0 0 "[ . 1 . 2]" 1
1286 1 82 LYS H 1 83 ALA H 2.660 . 3.520 2.650 2.516 2.774 . 0 0 "[ . 1 . 2]" 1
1287 1 82 LYS H 1 83 ALA MB 4.210 . 6.620 4.347 4.222 4.466 . 0 0 "[ . 1 . 2]" 1
1288 1 82 LYS HA 1 82 LYS QD 4.340 . 6.880 3.723 1.786 4.195 0.014 17 0 "[ . 1 . 2]" 1
1289 1 82 LYS HA 1 82 LYS QE 4.340 . 6.880 4.486 3.648 4.992 . 0 0 "[ . 1 . 2]" 1
1290 1 82 LYS HA 1 82 LYS HG2 2.870 . 3.950 2.955 2.282 3.781 . 0 0 "[ . 1 . 2]" 1
1291 1 82 LYS HA 1 82 LYS HG3 2.870 . 3.950 2.839 2.400 3.619 . 0 0 "[ . 1 . 2]" 1
1292 1 83 ALA H 1 84 ALA H 2.640 . 3.480 2.537 2.456 2.630 . 0 0 "[ . 1 . 2]" 1
1293 1 84 ALA MB 1 93 PHE QD 4.320 . 6.840 3.144 1.868 4.305 . 0 0 "[ . 1 . 2]" 1
1294 1 84 ALA MB 1 93 PHE QE 4.160 . 6.520 3.288 2.561 5.006 . 0 0 "[ . 1 . 2]" 1
1295 1 86 LYS H 1 86 LYS QG 4.340 . 6.880 3.023 2.046 4.156 . 0 0 "[ . 1 . 2]" 1
1296 1 87 GLN H 1 87 GLN HG2 3.900 . 6.000 3.767 2.207 5.346 . 0 0 "[ . 1 . 2]" 1
1297 1 87 GLN H 1 87 GLN HG3 3.900 . 6.000 3.579 2.249 5.198 . 0 0 "[ . 1 . 2]" 1
1298 1 89 ASN QB 1 90 ALA MB 4.850 . 7.900 4.444 3.762 4.911 . 0 0 "[ . 1 . 2]" 1
1299 1 89 ASN QB 1 92 GLN QB 4.780 . 7.760 3.487 1.812 5.443 . 0 0 "[ . 1 . 2]" 1
1300 1 90 ALA HA 1 93 PHE HB2 3.230 . 4.670 3.962 3.186 4.684 0.014 13 0 "[ . 1 . 2]" 1
1301 1 90 ALA HA 1 93 PHE QB 3.020 . 4.250 2.808 1.986 3.298 . 0 0 "[ . 1 . 2]" 1
1302 1 90 ALA HA 1 93 PHE HB3 3.230 . 4.670 2.885 2.007 3.374 . 0 0 "[ . 1 . 2]" 1
1303 1 90 ALA MB 1 92 GLN H 4.410 . 7.020 4.293 3.840 4.997 . 0 0 "[ . 1 . 2]" 1
1304 1 90 ALA MB 1 93 PHE QB 4.850 . 7.900 4.087 3.465 4.432 . 0 0 "[ . 1 . 2]" 1
1305 1 90 ALA MB 1 93 PHE QD 5.470 . 9.150 4.762 3.413 5.246 . 0 0 "[ . 1 . 2]" 1
1306 1 91 GLU H 1 91 GLU QG 3.800 . 5.800 2.514 1.750 4.049 0.050 8 0 "[ . 1 . 2]" 1
1307 1 91 GLU H 1 92 GLN H 2.690 . 3.590 2.685 2.555 2.844 . 0 0 "[ . 1 . 2]" 1
1308 1 91 GLU HA 1 94 ALA MB 3.340 . 4.890 2.914 2.332 3.515 . 0 0 "[ . 1 . 2]" 1
1309 1 91 GLU QG 1 92 GLN H 4.340 . 6.880 3.466 1.951 4.328 . 0 0 "[ . 1 . 2]" 1
1310 1 92 GLN H 1 92 GLN QG 4.340 . 6.880 2.775 1.935 4.038 . 0 0 "[ . 1 . 2]" 1
1311 1 92 GLN HA 1 95 SER QB 3.400 . 5.010 3.040 2.755 3.735 . 0 0 "[ . 1 . 2]" 1
1312 1 92 GLN HA 1 96 LEU H 3.470 . 5.140 4.497 4.131 5.138 . 0 0 "[ . 1 . 2]" 1
1313 1 92 GLN QB 1 96 LEU QD 5.620 . 9.450 3.310 2.484 4.120 . 0 0 "[ . 1 . 2]" 1
1314 1 92 GLN QG 1 93 PHE H 4.340 . 6.880 3.845 2.230 4.574 . 0 0 "[ . 1 . 2]" 1
1315 1 92 GLN QG 1 96 LEU QD 5.620 . 9.450 3.988 2.170 5.077 . 0 0 "[ . 1 . 2]" 1
1316 1 93 PHE H 1 93 PHE HB2 2.730 . 3.660 2.530 2.301 2.727 . 0 0 "[ . 1 . 2]" 1
1317 1 93 PHE H 1 93 PHE HB3 2.730 . 3.660 2.450 2.270 2.746 . 0 0 "[ . 1 . 2]" 1
1318 1 93 PHE H 1 94 ALA H 2.750 . 3.700 2.708 2.561 2.924 . 0 0 "[ . 1 . 2]" 1
1319 1 93 PHE HA 1 96 LEU H 3.200 . 4.600 3.460 3.049 3.790 . 0 0 "[ . 1 . 2]" 1
1320 1 93 PHE HA 1 96 LEU HB2 3.120 . 4.450 2.860 2.327 3.146 . 0 0 "[ . 1 . 2]" 1
1321 1 93 PHE HA 1 96 LEU QB 2.960 . 4.130 2.825 2.311 3.090 . 0 0 "[ . 1 . 2]" 1
1322 1 93 PHE HA 1 96 LEU HB3 3.120 . 4.450 4.402 3.942 4.539 0.089 9 0 "[ . 1 . 2]" 1
1323 1 93 PHE HA 1 96 LEU QD 5.060 . 8.320 2.893 1.851 3.634 . 0 0 "[ . 1 . 2]" 1
1324 1 93 PHE QB 1 94 ALA H 2.790 . 3.780 2.516 2.370 2.680 . 0 0 "[ . 1 . 2]" 1
1325 1 93 PHE HB2 1 94 ALA H 2.940 . 4.090 3.863 3.705 4.015 . 0 0 "[ . 1 . 2]" 1
1326 1 93 PHE HB3 1 94 ALA H 2.940 . 4.090 2.550 2.395 2.724 . 0 0 "[ . 1 . 2]" 1
1327 1 93 PHE QD 1 94 ALA MB 5.470 . 9.150 3.978 3.439 5.178 . 0 0 "[ . 1 . 2]" 1
1328 1 93 PHE QD 1 96 LEU QD 4.810 . 7.820 3.877 2.488 4.854 . 0 0 "[ . 1 . 2]" 1
1329 1 93 PHE QE 1 97 VAL QG 4.740 . 7.680 3.046 2.710 4.153 . 0 0 "[ . 1 . 2]" 1
1330 1 93 PHE HZ 1 97 VAL QG 3.900 . 6.010 3.421 2.946 5.049 . 0 0 "[ . 1 . 2]" 1
1331 1 94 ALA H 1 94 ALA MB 2.710 . 3.630 2.232 2.216 2.243 . 0 0 "[ . 1 . 2]" 1
1332 1 94 ALA H 1 95 SER H 2.660 . 3.520 2.723 2.632 2.830 . 0 0 "[ . 1 . 2]" 1
1333 1 94 ALA HA 1 97 VAL H 3.480 . 5.170 3.440 3.166 3.857 . 0 0 "[ . 1 . 2]" 1
1334 1 94 ALA HA 1 97 VAL HB 2.930 . 4.060 3.019 2.252 4.281 0.221 10 0 "[ . 1 . 2]" 1
1335 1 94 ALA HA 1 97 VAL MG1 3.960 . 6.120 3.711 1.981 4.584 . 0 0 "[ . 1 . 2]" 1
1336 1 94 ALA HA 1 97 VAL QG 3.770 . 5.740 2.555 1.757 2.991 0.043 10 0 "[ . 1 . 2]" 1
1337 1 94 ALA HA 1 97 VAL MG2 3.960 . 6.120 2.950 1.777 4.757 0.023 10 0 "[ . 1 . 2]" 1
1338 1 94 ALA MB 1 95 SER H 3.020 . 4.250 2.613 2.436 2.936 . 0 0 "[ . 1 . 2]" 1
1339 1 94 ALA MB 1 97 VAL QG 5.210 . 8.620 3.683 2.867 4.096 . 0 0 "[ . 1 . 2]" 1
1340 1 95 SER HA 1 98 GLN QB 3.370 . 4.940 3.101 2.584 4.171 . 0 0 "[ . 1 . 2]" 1
1341 1 95 SER QB 1 96 LEU QD 5.620 . 9.450 2.902 2.367 3.695 . 0 0 "[ . 1 . 2]" 1
1342 1 96 LEU H 1 96 LEU HB2 2.780 . 3.770 2.315 2.172 2.593 . 0 0 "[ . 1 . 2]" 1
1343 1 96 LEU H 1 96 LEU QB 2.640 . 3.480 2.285 2.151 2.536 . 0 0 "[ . 1 . 2]" 1
1344 1 96 LEU H 1 96 LEU HB3 2.780 . 3.770 3.538 3.477 3.598 . 0 0 "[ . 1 . 2]" 1
1345 1 96 LEU H 1 96 LEU MD1 4.410 . 7.020 3.131 2.268 3.854 . 0 0 "[ . 1 . 2]" 1
1346 1 96 LEU H 1 96 LEU QD 3.960 . 6.130 2.619 2.256 3.155 . 0 0 "[ . 1 . 2]" 1
1347 1 96 LEU H 1 96 LEU MD2 4.410 . 7.020 3.424 2.292 4.094 . 0 0 "[ . 1 . 2]" 1
1348 1 96 LEU H 1 96 LEU HG 2.960 . 4.130 3.339 2.121 4.117 . 0 0 "[ . 1 . 2]" 1
1349 1 96 LEU H 1 97 VAL H 2.530 . 3.260 2.565 2.522 2.688 . 0 0 "[ . 1 . 2]" 1
1350 1 96 LEU HA 1 96 LEU MD1 4.330 . 6.870 2.938 1.827 3.872 . 0 0 "[ . 1 . 2]" 1
1351 1 96 LEU HA 1 96 LEU MD2 4.330 . 6.870 2.831 1.950 3.799 . 0 0 "[ . 1 . 2]" 1
1352 1 96 LEU HA 1 98 GLN H 3.020 . 4.240 4.192 4.071 4.272 0.032 2 0 "[ . 1 . 2]" 1
1353 1 96 LEU HA 1 99 GLN H 3.520 . 5.240 3.373 3.129 3.839 . 0 0 "[ . 1 . 2]" 1
1354 1 96 LEU QB 1 97 VAL H 2.990 . 4.180 2.758 2.482 2.933 . 0 0 "[ . 1 . 2]" 1
1355 1 96 LEU HB2 1 97 VAL H 3.090 . 4.380 2.880 2.524 3.099 . 0 0 "[ . 1 . 2]" 1
1356 1 96 LEU HB3 1 97 VAL H 3.090 . 4.380 3.587 3.400 3.799 . 0 0 "[ . 1 . 2]" 1
1357 1 96 LEU QD 1 97 VAL H 5.070 . 8.350 4.039 3.881 4.198 . 0 0 "[ . 1 . 2]" 1
1358 1 96 LEU QD 1 99 GLN QB 5.620 . 9.450 3.950 3.135 4.833 . 0 0 "[ . 1 . 2]" 1
1359 1 96 LEU QD 1 99 GLN QG 5.620 . 9.450 3.821 2.762 5.224 . 0 0 "[ . 1 . 2]" 1
1360 1 97 VAL H 1 97 VAL HB 2.670 . 3.550 2.593 2.444 3.639 0.089 10 0 "[ . 1 . 2]" 1
1361 1 97 VAL H 1 97 VAL MG1 3.180 . 4.570 3.460 2.137 3.790 . 0 0 "[ . 1 . 2]" 1
1362 1 97 VAL H 1 97 VAL QG 2.950 . 4.110 2.102 1.913 2.281 . 0 0 "[ . 1 . 2]" 1
1363 1 97 VAL H 1 97 VAL MG2 3.180 . 4.570 2.359 1.939 3.779 . 0 0 "[ . 1 . 2]" 1
1364 1 97 VAL HA 1 100 HIS H 2.940 . 4.090 3.235 3.016 3.430 . 0 0 "[ . 1 . 2]" 1
1365 1 97 VAL HA 1 100 HIS HB2 3.320 . 4.850 2.950 2.600 3.520 . 0 0 "[ . 1 . 2]" 1
1366 1 97 VAL HA 1 100 HIS QB 3.180 . 4.570 2.615 2.341 2.960 . 0 0 "[ . 1 . 2]" 1
1367 1 97 VAL HA 1 100 HIS HB3 3.320 . 4.850 2.947 2.607 3.395 . 0 0 "[ . 1 . 2]" 1
1368 1 97 VAL HB 1 98 GLN H 2.910 . 4.020 2.977 2.631 3.993 . 0 0 "[ . 1 . 2]" 1
1369 1 97 VAL QG 1 98 GLN H 3.410 . 5.020 3.056 2.206 3.323 . 0 0 "[ . 1 . 2]" 1
1370 1 97 VAL QG 1 101 LEU QB 4.990 . 8.190 3.497 2.841 4.230 . 0 0 "[ . 1 . 2]" 1
1371 1 97 VAL MG1 1 98 GLN H 3.990 . 6.190 3.353 2.240 3.921 . 0 0 "[ . 1 . 2]" 1
1372 1 97 VAL MG2 1 98 GLN H 3.990 . 6.190 3.776 2.218 3.990 . 0 0 "[ . 1 . 2]" 1
1373 1 98 GLN H 1 98 GLN HG2 3.900 . 6.000 3.513 2.099 4.469 . 0 0 "[ . 1 . 2]" 1
1374 1 98 GLN H 1 98 GLN QG 3.660 . 5.520 2.651 2.051 3.984 . 0 0 "[ . 1 . 2]" 1
1375 1 98 GLN H 1 98 GLN HG3 3.900 . 6.000 3.001 2.070 4.547 . 0 0 "[ . 1 . 2]" 1
1376 1 98 GLN H 1 99 GLN H 2.530 . 3.260 2.703 2.601 2.820 . 0 0 "[ . 1 . 2]" 1
1377 1 98 GLN HA 1 98 GLN QG 2.800 . 3.800 2.500 2.260 3.340 . 0 0 "[ . 1 . 2]" 1
1378 1 98 GLN HA 1 101 LEU H 3.120 . 4.450 3.370 3.131 3.688 . 0 0 "[ . 1 . 2]" 1
1379 1 98 GLN HA 1 101 LEU HB2 2.910 . 4.020 2.938 2.122 3.634 . 0 0 "[ . 1 . 2]" 1
1380 1 98 GLN HA 1 101 LEU QB 2.670 . 3.540 2.545 2.108 2.814 . 0 0 "[ . 1 . 2]" 1
1381 1 98 GLN HA 1 101 LEU HB3 2.910 . 4.020 3.239 2.594 4.065 0.045 8 0 "[ . 1 . 2]" 1
1382 1 98 GLN HA 1 101 LEU MD2 4.230 . 6.660 3.206 2.317 5.012 . 0 0 "[ . 1 . 2]" 1
1383 1 98 GLN HA 1 102 GLN H 3.230 . 4.670 4.188 3.883 4.513 . 0 0 "[ . 1 . 2]" 1
1384 1 99 GLN H 1 99 GLN HG2 3.070 . 4.340 3.019 1.872 4.409 0.069 13 0 "[ . 1 . 2]" 1
1385 1 99 GLN H 1 99 GLN HG3 3.070 . 4.340 3.265 2.094 4.442 0.102 10 0 "[ . 1 . 2]" 1
1386 1 99 GLN H 1 100 HIS H 2.620 . 3.440 2.594 2.487 2.655 . 0 0 "[ . 1 . 2]" 1
1387 1 99 GLN QG 1 100 HIS H 4.340 . 6.880 3.982 3.546 4.548 . 0 0 "[ . 1 . 2]" 1
1388 1 100 HIS H 1 100 HIS HB2 2.710 . 3.620 2.313 2.208 2.406 . 0 0 "[ . 1 . 2]" 1
1389 1 100 HIS H 1 100 HIS HB3 2.710 . 3.620 2.698 2.583 2.803 . 0 0 "[ . 1 . 2]" 1
1390 1 100 HIS H 1 101 LEU H 2.750 . 3.700 2.648 2.554 2.705 . 0 0 "[ . 1 . 2]" 1
1391 1 100 HIS HA 1 100 HIS HD2 2.890 . 3.980 2.737 2.593 2.906 . 0 0 "[ . 1 . 2]" 1
1392 1 100 HIS HA 1 103 ASP H 2.840 . 3.880 3.476 3.319 3.615 . 0 0 "[ . 1 . 2]" 1
1393 1 100 HIS HA 1 103 ASP HB2 3.360 . 4.920 3.345 2.937 3.584 . 0 0 "[ . 1 . 2]" 1
1394 1 100 HIS HA 1 103 ASP HB3 3.360 . 4.920 2.456 2.172 2.736 . 0 0 "[ . 1 . 2]" 1
1395 1 100 HIS HB2 1 101 LEU H 3.110 . 4.420 3.671 3.603 3.761 . 0 0 "[ . 1 . 2]" 1
1396 1 100 HIS HB3 1 101 LEU H 3.110 . 4.420 2.527 2.459 2.608 . 0 0 "[ . 1 . 2]" 1
1397 1 100 HIS HD1 1 104 GLU QG 3.980 . 6.160 5.297 5.119 5.536 . 0 0 "[ . 1 . 2]" 1
1398 1 100 HIS HD2 1 104 GLU H 2.730 . 3.660 3.404 3.234 3.534 . 0 0 "[ . 1 . 2]" 1
1399 1 100 HIS HD2 1 104 GLU QB 3.200 . 4.610 3.911 3.775 4.073 . 0 0 "[ . 1 . 2]" 1
1400 1 100 HIS HD2 1 104 GLU HG2 2.330 . 2.870 1.860 1.789 2.007 0.001 15 0 "[ . 1 . 2]" 1
1401 1 100 HIS HD2 1 104 GLU QG 2.140 . 2.490 1.828 1.758 1.973 0.032 15 0 "[ . 1 . 2]" 1
1402 1 100 HIS HD2 1 104 GLU HG3 2.330 . 2.870 2.715 2.460 2.901 0.031 3 0 "[ . 1 . 2]" 1
1403 1 100 HIS NE2 3 1 ZN ZN 1.950 . 2.100 2.380 2.227 2.489 0.389 14 0 "[ . 1 . 2]" 1
1404 1 101 LEU H 1 101 LEU HB2 2.620 . 3.440 2.326 2.098 2.485 . 0 0 "[ . 1 . 2]" 1
1405 1 101 LEU H 1 101 LEU QB 2.510 . 3.220 2.185 2.057 2.235 . 0 0 "[ . 1 . 2]" 1
1406 1 101 LEU H 1 101 LEU HB3 2.620 . 3.440 2.906 2.520 3.507 0.067 9 0 "[ . 1 . 2]" 1
1407 1 101 LEU H 1 101 LEU MD1 3.890 . 5.980 3.973 3.714 4.279 . 0 0 "[ . 1 . 2]" 1
1408 1 101 LEU H 1 101 LEU MD2 3.780 . 5.760 3.541 2.246 4.310 . 0 0 "[ . 1 . 2]" 1
1409 1 101 LEU H 1 101 LEU HG 3.680 . 5.570 4.323 4.037 4.494 . 0 0 "[ . 1 . 2]" 1
1410 1 101 LEU H 1 102 GLN H 2.760 . 3.730 2.788 2.695 2.849 . 0 0 "[ . 1 . 2]" 1
1411 1 101 LEU HA 1 101 LEU MD1 2.990 . 4.180 2.100 1.837 3.759 . 0 0 "[ . 1 . 2]" 1
1412 1 101 LEU HA 1 101 LEU MD2 3.960 . 6.120 3.243 2.003 3.906 . 0 0 "[ . 1 . 2]" 1
1413 1 101 LEU HA 1 104 GLU QB 3.730 . 5.660 3.353 3.055 3.772 . 0 0 "[ . 1 . 2]" 1
1414 1 101 LEU QB 1 102 GLN H 2.650 . 3.500 2.453 2.351 2.566 . 0 0 "[ . 1 . 2]" 1
1415 1 101 LEU HB2 1 102 GLN H 2.780 . 3.770 3.365 2.626 3.797 0.027 18 0 "[ . 1 . 2]" 1
1416 1 101 LEU HB3 1 102 GLN H 2.780 . 3.770 2.660 2.377 3.118 . 0 0 "[ . 1 . 2]" 1
1417 1 101 LEU MD1 1 105 GLN H 4.410 . 7.020 4.917 4.396 6.414 . 0 0 "[ . 1 . 2]" 1
1418 1 101 LEU MD1 1 105 GLN QE 3.740 . 5.680 3.294 1.812 4.556 . 0 0 "[ . 1 . 2]" 1
1419 1 102 GLN H 1 102 GLN HB2 2.620 . 3.440 2.439 2.110 2.556 . 0 0 "[ . 1 . 2]" 1
1420 1 102 GLN H 1 102 GLN QB 2.510 . 3.220 2.360 2.091 2.503 . 0 0 "[ . 1 . 2]" 1
1421 1 102 GLN H 1 102 GLN HB3 2.620 . 3.440 3.385 2.336 3.578 0.138 17 0 "[ . 1 . 2]" 1
1422 1 102 GLN H 1 102 GLN HG2 3.020 . 4.240 2.960 2.066 4.453 0.213 5 0 "[ . 1 . 2]" 1
1423 1 102 GLN H 1 102 GLN QG 2.880 . 3.970 2.503 2.051 3.901 . 0 0 "[ . 1 . 2]" 1
1424 1 102 GLN H 1 102 GLN HG3 3.020 . 4.240 3.315 2.076 4.397 0.157 4 0 "[ . 1 . 2]" 1
1425 1 102 GLN H 1 103 ASP H 2.690 . 3.590 2.578 2.515 2.642 . 0 0 "[ . 1 . 2]" 1
1426 1 102 GLN HA 1 102 GLN HG2 2.820 . 3.840 2.885 2.475 3.826 . 0 0 "[ . 1 . 2]" 1
1427 1 102 GLN HA 1 102 GLN QG 2.570 . 3.340 2.686 2.374 2.992 . 0 0 "[ . 1 . 2]" 1
1428 1 102 GLN HA 1 102 GLN HG3 2.820 . 3.840 3.394 2.576 3.835 . 0 0 "[ . 1 . 2]" 1
1429 1 102 GLN HA 1 105 GLN QB 3.550 . 5.300 2.950 2.645 3.703 . 0 0 "[ . 1 . 2]" 1
1430 1 103 ASP H 1 103 ASP HB2 2.690 . 3.590 2.608 2.371 2.702 . 0 0 "[ . 1 . 2]" 1
1431 1 103 ASP H 1 103 ASP QB 2.610 . 3.420 2.209 2.176 2.235 . 0 0 "[ . 1 . 2]" 1
1432 1 103 ASP H 1 103 ASP HB3 2.690 . 3.590 2.397 2.322 2.534 . 0 0 "[ . 1 . 2]" 1
1433 1 103 ASP HA 1 106 ARG H 3.070 . 4.340 3.602 3.316 3.873 . 0 0 "[ . 1 . 2]" 1
1434 1 103 ASP HB2 1 104 GLU H 3.340 . 4.880 3.886 3.723 3.949 . 0 0 "[ . 1 . 2]" 1
1435 1 103 ASP HB3 1 104 GLU H 3.340 . 4.880 2.516 2.376 2.584 . 0 0 "[ . 1 . 2]" 1
1436 1 103 ASP OD2 2 1 ZN ZN 1.950 . 2.100 1.672 1.616 1.719 0.184 14 0 "[ . 1 . 2]" 1
1437 1 104 GLU H 1 104 GLU HB2 2.930 . 4.060 2.560 2.514 2.611 . 0 0 "[ . 1 . 2]" 1
1438 1 104 GLU H 1 104 GLU QB 2.810 . 3.830 2.510 2.469 2.553 . 0 0 "[ . 1 . 2]" 1
1439 1 104 GLU H 1 104 GLU HB3 2.930 . 4.060 3.613 3.600 3.626 . 0 0 "[ . 1 . 2]" 1
1440 1 104 GLU H 1 104 GLU HG2 3.320 . 4.850 2.127 2.012 2.243 . 0 0 "[ . 1 . 2]" 1
1441 1 104 GLU H 1 104 GLU QG 3.180 . 4.560 2.109 2.000 2.222 . 0 0 "[ . 1 . 2]" 1
1442 1 104 GLU H 1 104 GLU HG3 3.320 . 4.850 3.487 3.357 3.603 . 0 0 "[ . 1 . 2]" 1
1443 1 104 GLU H 1 105 GLN H 2.710 . 3.620 2.611 2.545 2.666 . 0 0 "[ . 1 . 2]" 1
1444 1 104 GLU HB2 1 105 GLN H 3.270 . 4.740 2.940 2.757 3.102 . 0 0 "[ . 1 . 2]" 1
1445 1 104 GLU HB3 1 105 GLN H 3.270 . 4.740 3.950 3.854 4.069 . 0 0 "[ . 1 . 2]" 1
1446 1 104 GLU OE1 4 1 ZN ZN 1.950 . 2.100 1.620 1.600 1.676 0.200 14 0 "[ . 1 . 2]" 1
1447 1 104 GLU OE2 3 1 ZN ZN 1.950 . 2.100 1.610 1.592 1.643 0.208 19 0 "[ . 1 . 2]" 1
1448 1 105 GLN H 1 105 GLN HB2 2.760 . 3.730 2.465 2.401 2.539 . 0 0 "[ . 1 . 2]" 1
1449 1 105 GLN H 1 105 GLN QB 2.660 . 3.520 2.425 2.368 2.491 . 0 0 "[ . 1 . 2]" 1
1450 1 105 GLN H 1 105 GLN HB3 2.760 . 3.730 3.602 3.590 3.616 . 0 0 "[ . 1 . 2]" 1
1451 1 105 GLN H 1 105 GLN HG2 3.070 . 4.340 3.488 3.342 3.688 . 0 0 "[ . 1 . 2]" 1
1452 1 105 GLN H 1 105 GLN QG 2.840 . 3.880 2.289 2.085 2.428 . 0 0 "[ . 1 . 2]" 1
1453 1 105 GLN H 1 105 GLN HG3 3.070 . 4.340 2.322 2.106 2.466 . 0 0 "[ . 1 . 2]" 1
1454 1 105 GLN H 1 106 ARG H 2.530 . 3.260 2.659 2.561 2.756 . 0 0 "[ . 1 . 2]" 1
1455 1 105 GLN HA 1 108 VAL H 3.110 . 4.420 3.389 3.164 3.668 . 0 0 "[ . 1 . 2]" 1
1456 1 105 GLN HA 1 108 VAL HB 2.780 . 3.770 2.998 2.417 3.534 . 0 0 "[ . 1 . 2]" 1
1457 1 105 GLN HA 1 108 VAL MG1 3.670 . 5.540 4.324 3.737 4.798 . 0 0 "[ . 1 . 2]" 1
1458 1 105 GLN HA 1 108 VAL MG2 3.360 . 4.930 2.938 2.456 3.542 . 0 0 "[ . 1 . 2]" 1
1459 1 105 GLN HB2 1 106 ARG H 3.020 . 4.240 2.641 2.459 2.830 . 0 0 "[ . 1 . 2]" 1
1460 1 105 GLN HB3 1 106 ARG H 3.020 . 4.240 3.605 3.366 3.807 . 0 0 "[ . 1 . 2]" 1
1461 1 106 ARG H 1 106 ARG HG2 3.770 . 5.750 3.669 2.189 4.591 . 0 0 "[ . 1 . 2]" 1
1462 1 106 ARG H 1 106 ARG QG 3.510 . 5.230 3.129 2.172 4.011 . 0 0 "[ . 1 . 2]" 1
1463 1 106 ARG H 1 106 ARG HG3 3.770 . 5.750 3.696 2.325 4.542 . 0 0 "[ . 1 . 2]" 1
1464 1 106 ARG H 1 107 HIS H 2.490 . 3.190 2.563 2.472 2.646 . 0 0 "[ . 1 . 2]" 1
1465 1 106 ARG HA 1 106 ARG HD2 3.900 . 6.000 3.673 1.940 4.755 . 0 0 "[ . 1 . 2]" 1
1466 1 106 ARG HA 1 106 ARG QD 3.600 . 5.400 3.218 1.824 4.158 . 0 0 "[ . 1 . 2]" 1
1467 1 106 ARG HA 1 106 ARG HD3 3.900 . 6.000 3.873 1.840 4.696 . 0 0 "[ . 1 . 2]" 1
1468 1 106 ARG HA 1 106 ARG QG 2.810 . 3.820 2.502 2.108 2.988 . 0 0 "[ . 1 . 2]" 1
1469 1 106 ARG HA 1 109 GLU H 3.070 . 4.340 3.270 2.765 3.659 . 0 0 "[ . 1 . 2]" 1
1470 1 107 HIS H 1 107 HIS HB2 2.840 . 3.880 2.369 2.279 2.453 . 0 0 "[ . 1 . 2]" 1
1471 1 107 HIS H 1 107 HIS HB3 2.840 . 3.880 3.585 3.552 3.602 . 0 0 "[ . 1 . 2]" 1
1472 1 107 HIS H 1 107 HIS HD2 2.600 . 3.410 2.749 2.368 3.421 0.011 14 0 "[ . 1 . 2]" 1
1473 1 107 HIS H 1 108 VAL H 2.660 . 3.520 2.711 2.497 2.818 . 0 0 "[ . 1 . 2]" 1
1474 1 107 HIS HA 1 107 HIS HD2 2.210 . 2.620 2.567 2.184 2.766 0.146 12 0 "[ . 1 . 2]" 1
1475 1 107 HIS HA 1 110 GLU QB 3.550 . 5.300 3.111 2.323 3.744 . 0 0 "[ . 1 . 2]" 1
1476 1 107 HIS QB 1 108 VAL H 2.890 . 3.980 2.489 2.378 2.643 . 0 0 "[ . 1 . 2]" 1
1477 1 107 HIS HB2 1 108 VAL H 3.030 . 4.270 2.566 2.426 2.720 . 0 0 "[ . 1 . 2]" 1
1478 1 107 HIS HB3 1 108 VAL H 3.030 . 4.270 3.363 3.151 3.598 . 0 0 "[ . 1 . 2]" 1
1479 1 107 HIS ND1 4 1 ZN ZN 1.950 . 2.100 2.265 2.138 2.355 0.255 16 0 "[ . 1 . 2]" 1
1480 1 108 VAL H 1 108 VAL HB 2.420 . 3.050 2.545 2.416 2.777 . 0 0 "[ . 1 . 2]" 1
1481 1 108 VAL H 1 108 VAL MG2 2.840 . 3.890 2.060 1.788 2.200 0.002 8 0 "[ . 1 . 2]" 1
1482 1 108 VAL H 1 109 GLU H 2.580 . 3.370 2.700 2.586 2.842 . 0 0 "[ . 1 . 2]" 1
1483 1 108 VAL HA 1 111 ILE H 3.140 . 4.490 3.392 3.154 3.667 . 0 0 "[ . 1 . 2]" 1
1484 1 108 VAL HA 1 111 ILE HB 2.780 . 3.770 2.907 2.377 3.688 . 0 0 "[ . 1 . 2]" 1
1485 1 108 VAL HA 1 111 ILE MD 3.420 . 5.040 3.632 2.336 4.964 . 0 0 "[ . 1 . 2]" 1
1486 1 108 VAL HA 1 111 ILE HG12 3.180 . 4.560 3.964 2.516 4.673 0.113 11 0 "[ . 1 . 2]" 1
1487 1 108 VAL HA 1 111 ILE QG 3.020 . 4.240 3.023 2.255 3.342 . 0 0 "[ . 1 . 2]" 1
1488 1 108 VAL HA 1 111 ILE HG13 3.180 . 4.560 3.262 2.547 4.023 . 0 0 "[ . 1 . 2]" 1
1489 1 108 VAL HA 1 111 ILE MG 3.560 . 5.330 4.245 3.728 4.991 . 0 0 "[ . 1 . 2]" 1
1490 1 108 VAL HB 1 109 GLU H 2.620 . 3.440 2.658 2.415 2.808 . 0 0 "[ . 1 . 2]" 1
1491 1 108 VAL MG1 1 109 GLU H 3.310 . 4.820 3.471 3.290 3.824 . 0 0 "[ . 1 . 2]" 1
1492 1 108 VAL MG1 1 109 GLU HA 4.010 . 6.230 3.474 3.252 4.047 . 0 0 "[ . 1 . 2]" 1
1493 1 108 VAL MG1 1 112 GLU H 4.050 . 6.300 3.499 3.104 3.985 . 0 0 "[ . 1 . 2]" 1
1494 1 108 VAL MG1 1 112 GLU QG 4.000 . 6.210 3.013 1.913 5.266 . 0 0 "[ . 1 . 2]" 1
1495 1 108 VAL MG2 1 109 GLU H 3.650 . 5.510 3.837 3.548 4.002 . 0 0 "[ . 1 . 2]" 1
1496 1 109 GLU H 1 109 GLU HB2 2.760 . 3.730 2.627 2.306 3.655 . 0 0 "[ . 1 . 2]" 1
1497 1 109 GLU H 1 109 GLU QB 2.590 . 3.390 2.434 2.279 2.596 . 0 0 "[ . 1 . 2]" 1
1498 1 109 GLU H 1 109 GLU HB3 2.760 . 3.730 3.448 2.577 3.618 . 0 0 "[ . 1 . 2]" 1
1499 1 109 GLU H 1 109 GLU HG2 2.750 . 3.700 3.095 2.073 3.662 . 0 0 "[ . 1 . 2]" 1
1500 1 109 GLU H 1 109 GLU HG3 2.750 . 3.700 2.688 2.176 3.713 0.013 8 0 "[ . 1 . 2]" 1
1501 1 109 GLU H 1 110 GLU H 2.530 . 3.260 2.724 2.577 2.843 . 0 0 "[ . 1 . 2]" 1
1502 1 109 GLU HA 1 109 GLU QG 2.840 . 3.890 2.587 2.231 3.354 . 0 0 "[ . 1 . 2]" 1
1503 1 109 GLU HB2 1 110 GLU H 3.160 . 4.520 2.862 2.407 3.923 . 0 0 "[ . 1 . 2]" 1
1504 1 109 GLU HB3 1 110 GLU H 3.160 . 4.520 3.661 3.242 4.106 . 0 0 "[ . 1 . 2]" 1
1505 1 110 GLU H 1 110 GLU QG 3.310 . 4.830 3.254 2.229 4.086 . 0 0 "[ . 1 . 2]" 1
1506 1 110 GLU HA 1 111 ILE MD 4.250 . 6.700 5.813 4.952 6.524 . 0 0 "[ . 1 . 2]" 1
1507 1 110 GLU QB 1 111 ILE MD 4.850 . 7.900 4.033 3.377 4.948 . 0 0 "[ . 1 . 2]" 1
1508 1 111 ILE H 1 111 ILE HB 2.570 . 3.340 2.594 2.459 2.968 . 0 0 "[ . 1 . 2]" 1
1509 1 111 ILE H 1 111 ILE MD 3.600 . 5.400 3.475 3.166 3.664 . 0 0 "[ . 1 . 2]" 1
1510 1 111 ILE H 1 111 ILE HG12 2.840 . 3.880 2.768 2.074 3.447 . 0 0 "[ . 1 . 2]" 1
1511 1 111 ILE H 1 111 ILE HG13 2.840 . 3.880 2.878 1.860 3.779 . 0 0 "[ . 1 . 2]" 1
1512 1 111 ILE H 1 111 ILE MG 3.220 . 4.640 3.786 3.755 3.821 . 0 0 "[ . 1 . 2]" 1
1513 1 111 ILE H 1 112 GLU H 2.550 . 3.300 2.748 2.408 3.101 . 0 0 "[ . 1 . 2]" 1
1514 1 111 ILE HA 1 111 ILE MD 3.290 . 4.790 2.967 1.994 3.973 . 0 0 "[ . 1 . 2]" 1
1515 1 111 ILE HB 1 112 GLU H 2.820 . 3.840 2.196 1.850 2.858 . 0 0 "[ . 1 . 2]" 1
1516 1 111 ILE MD 1 112 GLU H 3.740 . 5.690 4.364 3.856 4.750 . 0 0 "[ . 1 . 2]" 1
1517 1 111 ILE MG 1 112 GLU H 3.580 . 5.360 3.131 2.681 3.677 . 0 0 "[ . 1 . 2]" 1
1518 1 111 ILE MG 1 112 GLU HA 3.920 . 6.050 3.411 2.942 4.002 . 0 0 "[ . 1 . 2]" 1
1519 1 112 GLU H 1 112 GLU HB2 2.670 . 3.550 2.731 2.077 3.718 0.168 18 0 "[ . 1 . 2]" 1
1520 1 112 GLU H 1 112 GLU HB3 2.670 . 3.550 3.393 2.371 3.806 0.256 8 0 "[ . 1 . 2]" 1
1521 1 112 GLU H 1 112 GLU HG2 3.030 . 4.270 3.170 1.815 4.470 0.200 16 0 "[ . 1 . 2]" 1
1522 1 112 GLU H 1 112 GLU QG 2.890 . 3.980 2.636 1.801 3.926 . 0 0 "[ . 1 . 2]" 1
1523 1 112 GLU H 1 112 GLU HG3 3.030 . 4.270 3.198 2.081 4.397 0.127 12 0 "[ . 1 . 2]" 1
1524 1 112 GLU H 1 113 LYS H 2.550 . 3.300 2.919 1.904 3.495 0.195 4 0 "[ . 1 . 2]" 1
1525 1 112 GLU HB2 1 113 LYS H 3.180 . 4.560 3.424 1.768 4.598 0.038 16 0 "[ . 1 . 2]" 1
1526 1 112 GLU HB3 1 113 LYS H 3.180 . 4.560 3.649 1.777 4.585 0.025 15 0 "[ . 1 . 2]" 1
1527 1 112 GLU HG2 1 113 LYS H 3.900 . 6.000 4.550 3.008 5.816 . 0 0 "[ . 1 . 2]" 1
1528 1 112 GLU HG3 1 113 LYS H 3.900 . 6.000 4.407 2.686 5.941 . 0 0 "[ . 1 . 2]" 1
1529 1 113 LYS H 1 113 LYS HG2 3.210 . 4.630 3.311 1.814 4.812 0.182 10 0 "[ . 1 . 2]" 1
1530 1 113 LYS H 1 113 LYS QG 2.940 . 4.080 2.915 1.804 4.204 0.124 10 0 "[ . 1 . 2]" 1
1531 1 113 LYS H 1 113 LYS HG3 3.210 . 4.630 3.677 2.473 4.684 0.054 18 0 "[ . 1 . 2]" 1
1532 1 113 LYS H 1 114 LYS H 3.160 . 4.520 3.143 2.022 4.572 0.052 15 0 "[ . 1 . 2]" 1
1533 1 114 LYS H 1 114 LYS QG 4.160 . 6.520 2.979 2.030 4.196 . 0 0 "[ . 1 . 2]" 1
1534 1 114 LYS H 1 115 ASN H 3.120 . 4.450 2.955 1.724 4.381 0.066 20 0 "[ . 1 . 2]" 1
1535 1 114 LYS HA 1 114 LYS QD 3.560 . 5.330 3.261 1.792 4.280 . 0 0 "[ . 1 . 2]" 1
1536 1 114 LYS HA 1 115 ASN H 2.640 . 3.480 2.897 2.159 3.530 0.050 8 0 "[ . 1 . 2]" 1
1537 1 114 LYS QB 1 115 ASN H 2.970 . 4.150 3.258 1.837 3.866 . 0 0 "[ . 1 . 2]" 1
1538 1 114 LYS QB 1 115 ASN QB 4.440 . 7.080 4.472 3.588 5.490 . 0 0 "[ . 1 . 2]" 1
1539 1 114 LYS HB2 1 115 ASN H 3.110 . 4.420 3.683 1.875 4.501 0.081 15 0 "[ . 1 . 2]" 1
1540 1 114 LYS HB3 1 115 ASN H 3.110 . 4.420 3.852 2.192 4.453 0.033 10 0 "[ . 1 . 2]" 1
1541 1 114 LYS QG 1 115 ASN H 4.340 . 6.880 4.194 2.648 4.915 . 0 0 "[ . 1 . 2]" 1
1542 1 115 ASN H 1 115 ASN HB2 3.000 . 4.200 3.014 2.477 4.057 . 0 0 "[ . 1 . 2]" 1
1543 1 115 ASN H 1 115 ASN QB 2.820 . 3.840 2.614 2.228 3.373 . 0 0 "[ . 1 . 2]" 1
1544 1 115 ASN H 1 115 ASN HB3 3.000 . 4.200 3.057 2.462 3.784 . 0 0 "[ . 1 . 2]" 1
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