NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400970 |
1v9j   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1v9j
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 881
_Distance_constraint_stats_list.Viol_count 810
_Distance_constraint_stats_list.Viol_total 158.305
_Distance_constraint_stats_list.Viol_max 0.112
_Distance_constraint_stats_list.Viol_rms 0.0046
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0098
_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 26 ALA 0.357 0.035 4 0 "[ . 1 . 2]"
1 27 THR 0.097 0.026 4 0 "[ . 1 . 2]"
1 28 MET 0.097 0.026 4 0 "[ . 1 . 2]"
1 29 GLU 0.441 0.052 15 0 "[ . 1 . 2]"
1 30 LEU 1.022 0.095 8 0 "[ . 1 . 2]"
1 31 SER 0.005 0.005 14 0 "[ . 1 . 2]"
1 32 ALA 0.015 0.005 14 0 "[ . 1 . 2]"
1 33 ASP 0.023 0.005 11 0 "[ . 1 . 2]"
1 34 TYR 0.016 0.002 16 0 "[ . 1 . 2]"
1 35 LEU 0.041 0.005 20 0 "[ . 1 . 2]"
1 36 ARG 0.003 0.003 18 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ARG 2.695 0.112 7 0 "[ . 1 . 2]"
1 41 GLN 2.634 0.112 7 0 "[ . 1 . 2]"
1 42 ASP 0.023 0.009 20 0 "[ . 1 . 2]"
1 43 LEU 0.036 0.007 2 0 "[ . 1 . 2]"
1 44 GLU 0.014 0.003 2 0 "[ . 1 . 2]"
1 45 ALA 0.081 0.006 2 0 "[ . 1 . 2]"
1 46 GLU 0.034 0.005 2 0 "[ . 1 . 2]"
1 47 HIS 0.002 0.001 10 0 "[ . 1 . 2]"
1 48 VAL 0.001 0.001 8 0 "[ . 1 . 2]"
1 49 GLU 0.001 0.001 8 0 "[ . 1 . 2]"
1 50 VAL 0.015 0.003 18 0 "[ . 1 . 2]"
1 51 GLU 0.406 0.024 20 0 "[ . 1 . 2]"
1 52 ASP 0.420 0.024 20 0 "[ . 1 . 2]"
1 53 THR 0.024 0.005 20 0 "[ . 1 . 2]"
1 54 THR 0.006 0.003 4 0 "[ . 1 . 2]"
1 55 LEU 0.061 0.032 18 0 "[ . 1 . 2]"
1 56 ASN 0.061 0.032 18 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.006 0.002 8 0 "[ . 1 . 2]"
1 62 PHE 0.062 0.005 20 0 "[ . 1 . 2]"
1 63 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.008 0.003 8 0 "[ . 1 . 2]"
1 65 LEU 0.022 0.004 2 0 "[ . 1 . 2]"
1 66 VAL 0.022 0.007 1 0 "[ . 1 . 2]"
1 67 VAL 0.110 0.005 7 0 "[ . 1 . 2]"
1 68 SER 0.025 0.007 1 0 "[ . 1 . 2]"
1 69 ALA 0.048 0.004 1 0 "[ . 1 . 2]"
1 70 LYS 0.118 0.022 17 0 "[ . 1 . 2]"
1 71 PHE 0.009 0.002 2 0 "[ . 1 . 2]"
1 72 GLU 0.411 0.022 10 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 0.000 0.000 16 0 "[ . 1 . 2]"
1 75 PRO 0.004 0.002 8 0 "[ . 1 . 2]"
1 76 LEU 0.003 0.003 12 0 "[ . 1 . 2]"
1 77 LEU 0.001 0.001 13 0 "[ . 1 . 2]"
1 78 GLN 0.004 0.002 8 0 "[ . 1 . 2]"
1 79 ARG 0.005 0.003 12 0 "[ . 1 . 2]"
1 80 HIS 0.012 0.002 5 0 "[ . 1 . 2]"
1 81 ARG 0.018 0.005 13 0 "[ . 1 . 2]"
1 82 LEU 0.087 0.007 2 0 "[ . 1 . 2]"
1 83 VAL 0.012 0.002 2 0 "[ . 1 . 2]"
1 84 ASN 0.001 0.001 9 0 "[ . 1 . 2]"
1 85 GLU 0.075 0.017 11 0 "[ . 1 . 2]"
1 86 CYS 0.031 0.011 6 0 "[ . 1 . 2]"
1 87 LEU 0.019 0.003 20 0 "[ . 1 . 2]"
1 88 ALA 0.006 0.002 15 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLU 0.017 0.002 16 0 "[ . 1 . 2]"
1 91 LEU 0.173 0.016 20 0 "[ . 1 . 2]"
1 92 PRO 0.017 0.005 8 0 "[ . 1 . 2]"
1 93 HIS 0.017 0.005 8 0 "[ . 1 . 2]"
1 94 ILE 0.270 0.016 20 0 "[ . 1 . 2]"
1 95 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ALA 0.127 0.014 20 0 "[ . 1 . 2]"
1 97 PHE 0.225 0.014 20 0 "[ . 1 . 2]"
1 98 GLU 0.008 0.003 11 0 "[ . 1 . 2]"
1 99 GLN 0.008 0.002 14 0 "[ . 1 . 2]"
1 100 LYS 0.021 0.004 2 0 "[ . 1 . 2]"
1 101 THR 0.012 0.002 9 0 "[ . 1 . 2]"
1 102 LEU 0.045 0.004 8 0 "[ . 1 . 2]"
1 103 THR 0.005 0.003 1 0 "[ . 1 . 2]"
1 104 PRO 0.016 0.003 7 0 "[ . 1 . 2]"
1 105 GLU 0.043 0.007 17 0 "[ . 1 . 2]"
1 106 GLN 0.003 0.002 14 0 "[ . 1 . 2]"
1 107 TRP 1.154 0.043 7 0 "[ . 1 . 2]"
1 108 THR 0.278 0.024 8 0 "[ . 1 . 2]"
1 109 ARG 0.017 0.008 7 0 "[ . 1 . 2]"
1 110 GLN 0.161 0.044 12 0 "[ . 1 . 2]"
1 111 ARG 0.159 0.044 12 0 "[ . 1 . 2]"
1 112 ARG 0.064 0.016 11 0 "[ . 1 . 2]"
1 113 GLU 0.009 0.006 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 113 GLU H 1 113 GLU HA 2.350 . 2.900 2.777 2.274 2.906 0.006 4 0 "[ . 1 . 2]" 1
2 1 113 GLU H 1 113 GLU QG 2.630 . 3.460 2.691 2.047 3.367 . 0 0 "[ . 1 . 2]" 1
3 1 31 SER HB3 1 32 ALA H 2.810 . 3.820 2.831 2.061 3.590 . 0 0 "[ . 1 . 2]" 1
4 1 30 LEU H 1 30 LEU HA 2.100 . 2.600 2.483 2.273 2.695 0.095 8 0 "[ . 1 . 2]" 1
5 1 48 VAL MG2 1 49 GLU H 2.820 . 3.840 3.698 3.496 3.841 0.001 8 0 "[ . 1 . 2]" 1
6 1 65 LEU MD2 1 66 VAL H 2.800 . 3.800 2.683 1.980 3.803 0.003 5 0 "[ . 1 . 2]" 1
7 1 26 ALA HA 1 29 GLU H 2.110 . 2.610 2.628 2.621 2.645 0.035 4 0 "[ . 1 . 2]" 1
8 1 29 GLU H 1 29 GLU HB3 2.770 . 3.740 3.434 2.831 3.792 0.052 15 0 "[ . 1 . 2]" 1
9 1 28 MET QB 1 29 GLU H 2.550 . 3.300 2.923 2.796 3.059 . 0 0 "[ . 1 . 2]" 1
10 1 28 MET H 1 28 MET QB 2.510 . 3.220 2.486 2.277 2.996 . 0 0 "[ . 1 . 2]" 1
11 1 112 ARG H 1 112 ARG HA 2.590 . 3.380 2.704 2.273 2.946 . 0 0 "[ . 1 . 2]" 1
12 1 112 ARG H 1 112 ARG HB2 2.700 . 3.600 2.690 2.148 3.614 0.014 2 0 "[ . 1 . 2]" 1
13 1 94 ILE H 1 94 ILE HB 2.550 . 3.300 2.640 2.626 2.664 . 0 0 "[ . 1 . 2]" 1
14 1 49 GLU HA 1 50 VAL H 2.450 . 3.100 2.158 2.139 2.236 . 0 0 "[ . 1 . 2]" 1
15 1 38 LYS H 1 38 LYS HA 2.790 . 3.780 2.812 2.798 2.842 . 0 0 "[ . 1 . 2]" 1
16 1 38 LYS H 1 38 LYS HB3 2.710 . 3.620 2.680 2.507 2.906 . 0 0 "[ . 1 . 2]" 1
17 1 38 LYS H 1 38 LYS HB2 2.630 . 3.460 2.386 2.199 2.554 . 0 0 "[ . 1 . 2]" 1
18 1 45 ALA MB 1 46 GLU H 2.800 . 3.800 2.206 1.967 2.675 . 0 0 "[ . 1 . 2]" 1
19 1 86 CYS H 1 86 CYS HB2 2.710 . 3.620 2.284 2.131 3.581 . 0 0 "[ . 1 . 2]" 1
20 1 86 CYS H 1 86 CYS HB3 2.720 . 3.640 3.026 2.611 3.499 . 0 0 "[ . 1 . 2]" 1
21 1 44 GLU H 1 44 GLU HA 2.450 . 3.100 2.273 2.271 2.277 . 0 0 "[ . 1 . 2]" 1
22 1 34 TYR H 1 34 TYR HB2 2.730 . 3.660 2.511 2.413 2.577 . 0 0 "[ . 1 . 2]" 1
23 1 34 TYR H 1 34 TYR HB3 2.730 . 3.660 2.548 2.494 2.649 . 0 0 "[ . 1 . 2]" 1
24 1 72 GLU H 1 72 GLU HA 2.760 . 3.720 2.801 2.792 2.813 . 0 0 "[ . 1 . 2]" 1
25 1 72 GLU H 1 72 GLU HB2 2.500 . 3.200 2.090 2.087 2.094 . 0 0 "[ . 1 . 2]" 1
26 1 72 GLU H 1 72 GLU HB3 2.590 . 3.380 3.395 3.386 3.402 0.022 10 0 "[ . 1 . 2]" 1
27 1 110 GLN HA 1 111 ARG H 2.570 . 3.340 2.824 2.271 3.384 0.044 12 0 "[ . 1 . 2]" 1
28 1 111 ARG H 1 111 ARG HA 2.590 . 3.380 2.933 2.908 2.948 . 0 0 "[ . 1 . 2]" 1
29 1 111 ARG H 1 111 ARG QB 2.430 . 3.060 2.568 2.188 3.072 0.012 7 0 "[ . 1 . 2]" 1
30 1 111 ARG H 1 111 ARG HG2 2.750 . 3.700 2.964 1.993 3.702 0.002 3 0 "[ . 1 . 2]" 1
31 1 74 LYS H 1 74 LYS HB2 2.710 . 3.620 2.483 2.263 2.728 . 0 0 "[ . 1 . 2]" 1
32 1 98 GLU HA 1 99 GLN H 2.240 . 2.740 2.145 2.140 2.184 . 0 0 "[ . 1 . 2]" 1
33 1 99 GLN H 1 99 GLN HG3 2.730 . 3.660 2.831 1.994 3.662 0.002 1 0 "[ . 1 . 2]" 1
34 1 91 LEU H 1 91 LEU HB2 2.710 . 3.620 2.148 2.111 2.174 . 0 0 "[ . 1 . 2]" 1
35 1 109 ARG H 1 109 ARG HA 2.530 . 3.260 2.867 2.798 2.928 . 0 0 "[ . 1 . 2]" 1
36 1 109 ARG H 1 109 ARG QB 2.460 . 3.120 2.292 2.135 2.505 . 0 0 "[ . 1 . 2]" 1
37 1 109 ARG H 1 109 ARG HG2 2.780 . 3.760 3.115 2.235 3.759 . 0 0 "[ . 1 . 2]" 1
38 1 85 GLU H 1 85 GLU HG3 2.790 . 3.780 2.808 2.626 3.050 . 0 0 "[ . 1 . 2]" 1
39 1 85 GLU H 1 85 GLU HB3 2.740 . 3.680 3.561 3.535 3.579 . 0 0 "[ . 1 . 2]" 1
40 1 85 GLU H 1 85 GLU HB2 2.830 . 3.860 2.335 2.261 2.397 . 0 0 "[ . 1 . 2]" 1
41 1 45 ALA H 1 45 ALA HA 2.520 . 3.240 2.908 2.791 2.949 . 0 0 "[ . 1 . 2]" 1
42 1 44 GLU HA 1 45 ALA H 2.590 . 3.380 2.486 2.214 2.860 . 0 0 "[ . 1 . 2]" 1
43 1 40 ARG HA 1 45 ALA H 2.830 . 3.860 2.930 2.614 3.115 . 0 0 "[ . 1 . 2]" 1
44 1 81 ARG H 1 81 ARG HB2 2.550 . 3.300 2.136 2.082 2.181 . 0 0 "[ . 1 . 2]" 1
45 1 82 LEU H 1 82 LEU HA 2.700 . 3.600 2.804 2.789 2.825 . 0 0 "[ . 1 . 2]" 1
46 1 82 LEU H 1 82 LEU HG 2.520 . 3.240 2.952 2.920 3.037 . 0 0 "[ . 1 . 2]" 1
47 1 36 ARG H 1 36 ARG HB3 2.810 . 3.820 2.665 2.496 2.867 . 0 0 "[ . 1 . 2]" 1
48 1 109 ARG HA 1 110 GLN H 2.830 . 3.860 3.441 2.969 3.561 . 0 0 "[ . 1 . 2]" 1
49 1 110 GLN H 1 110 GLN HB2 2.570 . 3.340 2.437 2.192 2.778 . 0 0 "[ . 1 . 2]" 1
50 1 109 ARG QB 1 110 GLN H 2.770 . 3.740 2.946 2.512 3.748 0.008 7 0 "[ . 1 . 2]" 1
51 1 110 GLN H 1 110 GLN HB3 2.730 . 3.660 3.306 2.631 3.665 0.005 6 0 "[ . 1 . 2]" 1
52 1 104 PRO HD2 1 105 GLU H 2.590 . 3.380 2.788 2.683 2.878 . 0 0 "[ . 1 . 2]" 1
53 1 105 GLU H 1 105 GLU HB3 2.590 . 3.380 3.077 2.510 3.387 0.007 17 0 "[ . 1 . 2]" 1
54 1 105 GLU H 1 105 GLU HB2 2.650 . 3.500 2.190 2.086 2.568 . 0 0 "[ . 1 . 2]" 1
55 1 69 ALA MB 1 70 LYS H 2.610 . 3.420 3.061 2.958 3.322 . 0 0 "[ . 1 . 2]" 1
56 1 40 ARG H 1 40 ARG QB 2.540 . 3.280 2.211 2.122 2.254 . 0 0 "[ . 1 . 2]" 1
57 1 39 LEU H 1 39 LEU MD2 2.780 . 3.760 3.449 3.068 3.757 . 0 0 "[ . 1 . 2]" 1
58 1 78 GLN H 1 78 GLN HB2 2.770 . 3.740 2.239 2.114 2.556 . 0 0 "[ . 1 . 2]" 1
59 1 87 LEU H 1 87 LEU HB3 2.830 . 3.860 3.676 3.408 3.735 . 0 0 "[ . 1 . 2]" 1
60 1 87 LEU H 1 87 LEU QD 2.820 . 3.840 3.041 2.305 3.252 . 0 0 "[ . 1 . 2]" 1
61 1 36 ARG HB3 1 37 GLU H 2.590 . 3.380 2.243 2.136 2.443 . 0 0 "[ . 1 . 2]" 1
62 1 80 HIS H 1 80 HIS QB 2.730 . 3.660 2.296 2.160 2.550 . 0 0 "[ . 1 . 2]" 1
63 1 58 CYS H 1 58 CYS HA 2.760 . 3.720 2.776 2.274 2.945 . 0 0 "[ . 1 . 2]" 1
64 1 41 GLN H 1 41 GLN HA 2.720 . 3.640 2.852 2.851 2.854 . 0 0 "[ . 1 . 2]" 1
65 1 41 GLN H 1 41 GLN QB 2.460 . 3.120 2.506 2.276 2.676 . 0 0 "[ . 1 . 2]" 1
66 1 40 ARG QB 1 41 GLN H 2.790 . 3.780 2.325 2.113 2.654 . 0 0 "[ . 1 . 2]" 1
67 1 47 HIS H 1 47 HIS HB2 2.720 . 3.640 2.696 2.489 3.039 . 0 0 "[ . 1 . 2]" 1
68 1 30 LEU HA 1 31 SER H 2.450 . 3.100 2.276 2.144 2.888 . 0 0 "[ . 1 . 2]" 1
69 1 89 GLU H 1 89 GLU HA 2.780 . 3.760 2.863 2.861 2.864 . 0 0 "[ . 1 . 2]" 1
70 1 89 GLU H 1 89 GLU HB2 2.660 . 3.520 2.497 2.264 2.663 . 0 0 "[ . 1 . 2]" 1
71 1 108 THR H 1 108 THR MG 2.760 . 3.720 3.733 3.719 3.744 0.024 8 0 "[ . 1 . 2]" 1
72 1 56 ASN QB 1 56 ASN HD21 2.820 . 3.840 2.237 2.089 2.689 . 0 0 "[ . 1 . 2]" 1
73 1 92 PRO HD2 1 93 HIS H 2.730 . 3.660 3.096 3.083 3.214 . 0 0 "[ . 1 . 2]" 1
74 1 64 VAL H 1 99 GLN HA 2.810 . 3.820 3.149 2.671 3.753 . 0 0 "[ . 1 . 2]" 1
75 1 63 ARG HA 1 64 VAL H 2.430 . 3.060 2.168 2.140 2.271 . 0 0 "[ . 1 . 2]" 1
76 1 46 GLU H 1 47 HIS H 2.660 . 3.520 2.489 2.337 2.758 . 0 0 "[ . 1 . 2]" 1
77 1 71 PHE H 1 72 GLU H 2.570 . 3.340 2.463 2.459 2.469 . 0 0 "[ . 1 . 2]" 1
78 1 78 GLN H 1 79 ARG H 2.600 . 3.400 2.574 2.465 2.747 . 0 0 "[ . 1 . 2]" 1
79 1 70 LYS H 1 71 PHE H 2.810 . 3.820 2.749 2.703 2.803 . 0 0 "[ . 1 . 2]" 1
80 1 83 VAL H 1 84 ASN H 2.710 . 3.620 2.652 2.474 2.791 . 0 0 "[ . 1 . 2]" 1
81 1 44 GLU H 1 45 ALA H 2.670 . 3.540 2.990 2.683 3.542 0.002 18 0 "[ . 1 . 2]" 1
82 1 108 THR H 1 109 ARG H 2.650 . 3.500 2.688 2.585 2.870 . 0 0 "[ . 1 . 2]" 1
83 1 111 ARG H 1 112 ARG H 2.730 . 3.660 3.039 2.356 3.660 . 0 0 "[ . 1 . 2]" 1
84 1 35 LEU H 1 36 ARG H 2.830 . 3.860 2.564 2.464 2.682 . 0 0 "[ . 1 . 2]" 1
85 1 90 GLU H 1 91 LEU H 2.710 . 3.620 2.483 2.477 2.503 . 0 0 "[ . 1 . 2]" 1
86 1 89 GLU H 1 90 GLU H 2.590 . 3.380 2.500 2.469 2.584 . 0 0 "[ . 1 . 2]" 1
87 1 88 ALA H 1 89 GLU H 2.780 . 3.760 2.698 2.608 2.818 . 0 0 "[ . 1 . 2]" 1
88 1 87 LEU H 1 88 ALA H 2.730 . 3.660 3.056 2.755 3.279 . 0 0 "[ . 1 . 2]" 1
89 1 85 GLU H 1 86 CYS H 2.720 . 3.640 2.677 2.580 2.879 . 0 0 "[ . 1 . 2]" 1
90 1 95 HIS H 1 96 ALA H 2.750 . 3.700 2.589 2.458 2.671 . 0 0 "[ . 1 . 2]" 1
91 1 33 ASP H 1 34 TYR H 2.790 . 3.780 2.625 2.465 2.673 . 0 0 "[ . 1 . 2]" 1
92 1 80 HIS H 1 81 ARG H 2.760 . 3.720 2.626 2.466 2.722 . 0 0 "[ . 1 . 2]" 1
93 1 106 GLN H 1 107 TRP H 2.820 . 3.840 2.682 2.550 2.827 . 0 0 "[ . 1 . 2]" 1
94 1 41 GLN H 1 42 ASP H 2.770 . 3.740 2.511 2.466 2.572 . 0 0 "[ . 1 . 2]" 1
95 1 42 ASP H 1 43 LEU H 2.720 . 3.640 2.825 2.732 2.914 . 0 0 "[ . 1 . 2]" 1
96 1 53 THR H 1 54 THR H 2.820 . 3.840 3.059 2.429 3.838 . 0 0 "[ . 1 . 2]" 1
97 1 55 LEU H 1 56 ASN H 2.820 . 3.840 2.501 1.992 3.858 0.018 18 0 "[ . 1 . 2]" 1
98 1 64 VAL MG1 1 65 LEU H 3.060 . 4.320 3.794 3.601 3.958 . 0 0 "[ . 1 . 2]" 1
99 1 67 VAL H 1 67 VAL HB 2.990 . 4.180 2.847 2.747 2.972 . 0 0 "[ . 1 . 2]" 1
100 1 66 VAL MG1 1 67 VAL H 2.890 . 3.980 2.419 2.103 2.843 . 0 0 "[ . 1 . 2]" 1
101 1 48 VAL MG1 1 67 VAL H 3.310 . 4.820 3.015 2.620 3.585 . 0 0 "[ . 1 . 2]" 1
102 1 63 ARG HA 1 98 GLU H 2.920 . 4.040 2.870 2.463 3.244 . 0 0 "[ . 1 . 2]" 1
103 1 102 LEU H 1 102 LEU HB2 3.350 . 4.900 2.739 2.653 2.786 . 0 0 "[ . 1 . 2]" 1
104 1 102 LEU H 1 102 LEU MD2 3.340 . 4.880 4.281 4.197 4.351 . 0 0 "[ . 1 . 2]" 1
105 1 50 VAL MG1 1 51 GLU H 3.380 . 4.960 3.610 3.493 3.784 . 0 0 "[ . 1 . 2]" 1
106 1 50 VAL MG2 1 51 GLU H 2.950 . 4.100 2.019 1.887 2.234 . 0 0 "[ . 1 . 2]" 1
107 1 50 VAL HA 1 51 GLU H 2.590 . 3.380 2.297 2.216 2.350 . 0 0 "[ . 1 . 2]" 1
108 1 51 GLU H 1 63 ARG H 3.120 . 4.440 2.766 2.505 3.017 . 0 0 "[ . 1 . 2]" 1
109 1 113 GLU H 1 113 GLU HB2 3.260 . 4.720 2.931 2.190 3.996 . 0 0 "[ . 1 . 2]" 1
110 1 113 GLU H 1 113 GLU HB3 3.270 . 4.740 3.437 2.503 4.094 . 0 0 "[ . 1 . 2]" 1
111 1 51 GLU HA 1 52 ASP H 2.860 . 3.920 2.410 2.340 2.522 . 0 0 "[ . 1 . 2]" 1
112 1 54 THR MG 1 55 LEU H 3.210 . 4.620 2.713 1.894 4.203 . 0 0 "[ . 1 . 2]" 1
113 1 55 LEU H 1 55 LEU HB2 2.830 . 3.860 2.771 2.224 3.711 . 0 0 "[ . 1 . 2]" 1
114 1 47 HIS HB3 1 48 VAL H 3.350 . 4.900 3.501 3.033 3.986 . 0 0 "[ . 1 . 2]" 1
115 1 47 HIS HB2 1 48 VAL H 3.390 . 4.980 4.338 4.072 4.491 . 0 0 "[ . 1 . 2]" 1
116 1 48 VAL H 1 48 VAL MG2 3.390 . 4.980 2.218 2.002 2.427 . 0 0 "[ . 1 . 2]" 1
117 1 48 VAL H 1 48 VAL MG1 3.030 . 4.260 3.071 2.895 3.251 . 0 0 "[ . 1 . 2]" 1
118 1 79 ARG HE 1 79 ARG HG2 3.100 . 4.400 2.806 2.236 4.001 . 0 0 "[ . 1 . 2]" 1
119 1 63 ARG QB 1 63 ARG HE 3.350 . 4.900 3.276 2.254 4.230 . 0 0 "[ . 1 . 2]" 1
120 1 63 ARG HE 1 63 ARG QG 3.310 . 4.820 2.627 2.104 3.187 . 0 0 "[ . 1 . 2]" 1
121 1 36 ARG HE 1 49 GLU HA 4.100 . 6.400 4.272 2.002 5.947 . 0 0 "[ . 1 . 2]" 1
122 1 36 ARG HE 1 50 VAL H 3.790 . 5.780 4.503 2.009 5.584 . 0 0 "[ . 1 . 2]" 1
123 1 31 SER HB2 1 32 ALA H 3.020 . 4.240 3.773 3.102 4.216 . 0 0 "[ . 1 . 2]" 1
124 1 32 ALA H 1 62 PHE QD 3.230 . 4.660 4.603 4.314 4.662 0.002 5 0 "[ . 1 . 2]" 1
125 1 32 ALA H 1 33 ASP H 2.960 . 4.120 2.733 2.578 2.863 . 0 0 "[ . 1 . 2]" 1
126 1 29 GLU HB3 1 30 LEU H 3.080 . 4.360 3.697 2.567 4.374 0.014 10 0 "[ . 1 . 2]" 1
127 1 97 PHE H 1 97 PHE HB3 2.920 . 4.040 2.774 2.695 2.862 . 0 0 "[ . 1 . 2]" 1
128 1 97 PHE H 1 97 PHE HB2 3.000 . 4.200 2.918 2.751 3.064 . 0 0 "[ . 1 . 2]" 1
129 1 96 ALA H 1 97 PHE H 3.380 . 4.960 4.009 3.975 4.069 . 0 0 "[ . 1 . 2]" 1
130 1 66 VAL H 1 101 THR HA 3.190 . 4.580 3.390 3.032 3.794 . 0 0 "[ . 1 . 2]" 1
131 1 48 VAL HA 1 49 GLU H 2.880 . 3.960 2.294 2.222 2.387 . 0 0 "[ . 1 . 2]" 1
132 1 66 VAL H 1 101 THR MG 3.330 . 4.860 4.173 3.763 4.518 . 0 0 "[ . 1 . 2]" 1
133 1 99 GLN HB3 1 100 LYS H 3.040 . 4.280 3.925 3.320 4.282 0.002 14 0 "[ . 1 . 2]" 1
134 1 99 GLN HB2 1 100 LYS H 3.250 . 4.700 2.993 2.551 4.134 . 0 0 "[ . 1 . 2]" 1
135 1 100 LYS H 1 101 THR MG 3.070 . 4.340 3.762 3.541 4.122 . 0 0 "[ . 1 . 2]" 1
136 1 27 THR HB 1 28 MET H 2.840 . 3.880 3.321 2.855 3.906 0.026 4 0 "[ . 1 . 2]" 1
137 1 28 MET H 1 28 MET HG2 3.380 . 4.960 4.287 3.512 4.830 . 0 0 "[ . 1 . 2]" 1
138 1 27 THR MG 1 28 MET H 3.330 . 4.860 3.998 2.113 4.290 . 0 0 "[ . 1 . 2]" 1
139 1 62 PHE HB3 1 63 ARG H 3.150 . 4.500 2.811 2.450 3.351 . 0 0 "[ . 1 . 2]" 1
140 1 63 ARG H 1 63 ARG QB 2.910 . 4.020 2.589 2.319 3.198 . 0 0 "[ . 1 . 2]" 1
141 1 50 VAL MG2 1 63 ARG H 3.080 . 4.360 3.291 2.874 3.706 . 0 0 "[ . 1 . 2]" 1
142 1 87 LEU QD 1 88 ALA H 3.260 . 4.720 4.370 3.879 4.539 . 0 0 "[ . 1 . 2]" 1
143 1 94 ILE H 1 94 ILE MG 3.220 . 4.640 3.776 3.771 3.779 . 0 0 "[ . 1 . 2]" 1
144 1 91 LEU HA 1 94 ILE H 3.220 . 4.640 3.261 3.216 3.368 . 0 0 "[ . 1 . 2]" 1
145 1 112 ARG H 1 112 ARG HB3 2.930 . 4.060 3.549 2.514 4.076 0.016 11 0 "[ . 1 . 2]" 1
146 1 112 ARG H 1 112 ARG QG 2.900 . 4.000 3.204 1.983 4.004 0.004 12 0 "[ . 1 . 2]" 1
147 1 111 ARG QB 1 112 ARG H 2.940 . 4.080 3.899 3.800 4.046 . 0 0 "[ . 1 . 2]" 1
148 1 111 ARG HG2 1 112 ARG H 3.380 . 4.960 4.691 3.816 4.961 0.001 1 0 "[ . 1 . 2]" 1
149 1 38 LYS H 1 38 LYS HG3 3.160 . 4.520 4.337 4.134 4.465 . 0 0 "[ . 1 . 2]" 1
150 1 50 VAL H 1 50 VAL MG1 3.100 . 4.400 2.032 1.957 2.173 . 0 0 "[ . 1 . 2]" 1
151 1 46 GLU H 1 46 GLU HA 2.890 . 3.980 2.903 2.853 2.933 . 0 0 "[ . 1 . 2]" 1
152 1 46 GLU H 1 46 GLU QG 3.030 . 4.260 3.440 2.645 4.103 . 0 0 "[ . 1 . 2]" 1
153 1 83 VAL HA 1 86 CYS H 3.360 . 4.920 3.635 3.492 3.879 . 0 0 "[ . 1 . 2]" 1
154 1 85 GLU HB3 1 86 CYS H 3.190 . 4.580 3.542 3.095 3.724 . 0 0 "[ . 1 . 2]" 1
155 1 85 GLU HB2 1 86 CYS H 3.250 . 4.700 2.759 2.293 2.922 . 0 0 "[ . 1 . 2]" 1
156 1 38 LYS H 1 39 LEU H 2.730 . 3.660 2.834 2.719 2.907 . 0 0 "[ . 1 . 2]" 1
157 1 37 GLU H 1 38 LYS H 2.710 . 3.620 2.671 2.578 2.763 . 0 0 "[ . 1 . 2]" 1
158 1 43 LEU HB3 1 44 GLU H 3.180 . 4.560 3.962 3.747 4.263 . 0 0 "[ . 1 . 2]" 1
159 1 83 VAL H 1 83 VAL MG1 3.110 . 4.420 3.764 3.756 3.779 . 0 0 "[ . 1 . 2]" 1
160 1 82 LEU HA 1 83 VAL H 3.340 . 4.880 3.549 3.494 3.567 . 0 0 "[ . 1 . 2]" 1
161 1 34 TYR H 1 34 TYR HA 2.880 . 3.960 2.804 2.794 2.834 . 0 0 "[ . 1 . 2]" 1
162 1 33 ASP HA 1 34 TYR H 3.270 . 4.740 3.493 3.487 3.509 . 0 0 "[ . 1 . 2]" 1
163 1 34 TYR H 1 34 TYR QD 3.280 . 4.760 4.182 4.144 4.198 . 0 0 "[ . 1 . 2]" 1
164 1 54 THR H 1 54 THR MG 3.370 . 4.940 3.516 1.982 4.058 . 0 0 "[ . 1 . 2]" 1
165 1 63 ARG QB 1 64 VAL H 3.200 . 4.600 3.346 2.744 3.829 . 0 0 "[ . 1 . 2]" 1
166 1 63 ARG QG 1 64 VAL H 3.210 . 4.620 3.567 2.472 4.430 . 0 0 "[ . 1 . 2]" 1
167 1 69 ALA HA 1 72 GLU H 3.320 . 4.840 3.032 2.970 3.076 . 0 0 "[ . 1 . 2]" 1
168 1 72 GLU H 1 72 GLU HG3 2.860 . 3.920 3.923 3.921 3.926 0.006 1 0 "[ . 1 . 2]" 1
169 1 69 ALA MB 1 72 GLU H 3.360 . 4.920 4.037 3.969 4.112 . 0 0 "[ . 1 . 2]" 1
170 1 72 GLU H 1 103 THR MG 3.060 . 4.320 3.936 3.635 4.318 . 0 0 "[ . 1 . 2]" 1
171 1 41 GLN QB 1 42 ASP H 3.020 . 4.240 2.969 2.449 3.540 . 0 0 "[ . 1 . 2]" 1
172 1 110 GLN HB3 1 111 ARG H 3.180 . 4.560 4.097 3.249 4.445 . 0 0 "[ . 1 . 2]" 1
173 1 110 GLN HB2 1 111 ARG H 3.200 . 4.600 4.330 3.521 4.606 0.006 6 0 "[ . 1 . 2]" 1
174 1 79 ARG H 1 79 ARG HB2 3.000 . 4.200 3.140 2.399 3.590 . 0 0 "[ . 1 . 2]" 1
175 1 79 ARG H 1 79 ARG HG2 2.950 . 4.100 2.504 2.012 3.684 . 0 0 "[ . 1 . 2]" 1
176 1 79 ARG H 1 79 ARG HG3 3.310 . 4.820 2.719 2.014 3.490 . 0 0 "[ . 1 . 2]" 1
177 1 89 GLU HA 1 90 GLU H 3.330 . 4.860 3.520 3.496 3.556 . 0 0 "[ . 1 . 2]" 1
178 1 89 GLU HG3 1 90 GLU H 3.350 . 4.900 4.253 3.857 4.645 . 0 0 "[ . 1 . 2]" 1
179 1 89 GLU HB2 1 90 GLU H 3.190 . 4.580 2.694 2.397 2.836 . 0 0 "[ . 1 . 2]" 1
180 1 87 LEU QD 1 90 GLU H 3.300 . 4.800 4.204 3.271 4.386 . 0 0 "[ . 1 . 2]" 1
181 1 74 LYS H 1 74 LYS HG2 2.950 . 4.100 3.705 2.912 4.100 0.000 16 0 "[ . 1 . 2]" 1
182 1 73 GLY HA3 1 74 LYS H 3.120 . 4.440 2.827 2.580 2.951 . 0 0 "[ . 1 . 2]" 1
183 1 73 GLY HA2 1 74 LYS H 3.120 . 4.440 3.529 3.494 3.569 . 0 0 "[ . 1 . 2]" 1
184 1 74 LYS H 1 74 LYS HA 2.990 . 4.180 2.922 2.859 2.947 . 0 0 "[ . 1 . 2]" 1
185 1 73 GLY H 1 74 LYS H 3.050 . 4.300 2.731 2.590 2.949 . 0 0 "[ . 1 . 2]" 1
186 1 108 THR MG 1 109 ARG H 3.370 . 4.940 3.784 3.407 3.950 . 0 0 "[ . 1 . 2]" 1
187 1 52 ASP HA 1 53 THR H 2.650 . 3.500 2.186 2.140 2.263 . 0 0 "[ . 1 . 2]" 1
188 1 53 THR H 1 53 THR MG 2.940 . 4.080 2.396 1.966 2.961 . 0 0 "[ . 1 . 2]" 1
189 1 99 GLN H 1 99 GLN HB2 3.350 . 4.900 3.678 2.605 3.843 . 0 0 "[ . 1 . 2]" 1
190 1 80 HIS QB 1 81 ARG H 2.850 . 3.900 2.668 2.414 2.818 . 0 0 "[ . 1 . 2]" 1
191 1 81 ARG H 1 81 ARG HG3 2.950 . 4.100 3.616 3.042 4.101 0.001 1 0 "[ . 1 . 2]" 1
192 1 40 ARG HG3 1 45 ALA H 3.290 . 4.780 4.201 3.569 4.781 0.001 10 0 "[ . 1 . 2]" 1
193 1 84 ASN HB3 1 85 GLU H 3.270 . 4.740 3.554 3.254 4.098 . 0 0 "[ . 1 . 2]" 1
194 1 82 LEU HA 1 85 GLU H 2.930 . 4.060 3.571 3.405 3.778 . 0 0 "[ . 1 . 2]" 1
195 1 91 LEU H 1 91 LEU MD1 2.920 . 4.040 3.947 3.917 4.017 . 0 0 "[ . 1 . 2]" 1
196 1 91 LEU H 1 91 LEU MD2 3.240 . 4.680 3.824 3.779 3.901 . 0 0 "[ . 1 . 2]" 1
197 1 91 LEU H 1 92 PRO HD2 3.210 . 4.620 2.515 2.324 2.577 . 0 0 "[ . 1 . 2]" 1
198 1 79 ARG HA 1 82 LEU H 3.370 . 4.940 3.538 3.324 3.838 . 0 0 "[ . 1 . 2]" 1
199 1 82 LEU H 1 82 LEU MD2 2.990 . 4.180 3.951 3.763 4.158 . 0 0 "[ . 1 . 2]" 1
200 1 82 LEU H 1 83 VAL H 2.810 . 3.820 2.743 2.692 2.844 . 0 0 "[ . 1 . 2]" 1
201 1 106 GLN H 1 106 GLN HG2 3.120 . 4.440 3.150 2.413 4.268 . 0 0 "[ . 1 . 2]" 1
202 1 105 GLU HB2 1 106 GLN H 3.050 . 4.300 3.409 2.939 3.873 . 0 0 "[ . 1 . 2]" 1
203 1 106 GLN H 1 106 GLN HA 2.970 . 4.140 2.831 2.799 2.863 . 0 0 "[ . 1 . 2]" 1
204 1 105 GLU H 1 106 GLN H 2.920 . 4.040 2.673 2.537 2.782 . 0 0 "[ . 1 . 2]" 1
205 1 35 LEU H 1 35 LEU MD1 3.390 . 4.980 3.530 3.454 3.684 . 0 0 "[ . 1 . 2]" 1
206 1 34 TYR QD 1 35 LEU H 3.300 . 4.800 3.678 3.444 3.923 . 0 0 "[ . 1 . 2]" 1
207 1 110 GLN H 1 110 GLN QG 2.890 . 3.980 3.640 2.659 3.984 0.004 2 0 "[ . 1 . 2]" 1
208 1 109 ARG H 1 110 GLN H 2.550 . 3.300 2.494 2.243 2.798 . 0 0 "[ . 1 . 2]" 1
209 1 33 ASP HA 1 36 ARG H 3.290 . 4.780 3.370 3.233 3.539 . 0 0 "[ . 1 . 2]" 1
210 1 36 ARG H 1 37 GLU H 2.930 . 4.060 2.751 2.616 2.891 . 0 0 "[ . 1 . 2]" 1
211 1 103 THR HB 1 105 GLU H 3.120 . 4.440 3.008 2.447 3.395 . 0 0 "[ . 1 . 2]" 1
212 1 70 LYS H 1 70 LYS HA 2.850 . 3.900 2.770 2.751 2.796 . 0 0 "[ . 1 . 2]" 1
213 1 69 ALA HA 1 70 LYS H 3.390 . 4.980 3.411 3.272 3.449 . 0 0 "[ . 1 . 2]" 1
214 1 40 ARG H 1 40 ARG HG3 3.330 . 4.860 4.382 4.116 4.577 . 0 0 "[ . 1 . 2]" 1
215 1 40 ARG H 1 48 VAL MG1 3.050 . 4.300 3.807 3.128 4.280 . 0 0 "[ . 1 . 2]" 1
216 1 39 LEU HB3 1 40 ARG H 3.070 . 4.340 3.721 3.333 3.980 . 0 0 "[ . 1 . 2]" 1
217 1 39 LEU HA 1 40 ARG H 3.040 . 4.280 3.516 3.485 3.563 . 0 0 "[ . 1 . 2]" 1
218 1 40 ARG H 1 41 GLN H 2.810 . 3.820 2.805 2.602 2.918 . 0 0 "[ . 1 . 2]" 1
219 1 39 LEU H 1 40 ARG H 2.830 . 3.860 2.652 2.564 2.741 . 0 0 "[ . 1 . 2]" 1
220 1 38 LYS HB2 1 39 LEU H 3.210 . 4.620 3.567 3.390 3.811 . 0 0 "[ . 1 . 2]" 1
221 1 67 VAL MG1 1 68 SER H 3.110 . 4.420 2.811 2.614 2.849 . 0 0 "[ . 1 . 2]" 1
222 1 68 SER H 1 68 SER HB3 3.330 . 4.860 3.514 3.329 3.947 . 0 0 "[ . 1 . 2]" 1
223 1 68 SER H 1 103 THR HA 3.360 . 4.920 3.274 2.995 3.696 . 0 0 "[ . 1 . 2]" 1
224 1 68 SER H 1 71 PHE QD 2.970 . 4.140 3.495 2.887 3.956 . 0 0 "[ . 1 . 2]" 1
225 1 78 GLN H 1 78 GLN QG 3.110 . 4.420 3.539 2.774 4.061 . 0 0 "[ . 1 . 2]" 1
226 1 55 LEU HB2 1 56 ASN H 3.120 . 4.440 3.117 2.006 4.472 0.032 18 0 "[ . 1 . 2]" 1
227 1 54 THR MG 1 56 ASN H 3.150 . 4.500 3.153 2.029 4.503 0.003 4 0 "[ . 1 . 2]" 1
228 1 87 LEU H 1 87 LEU HB2 2.930 . 4.060 2.682 2.219 2.755 . 0 0 "[ . 1 . 2]" 1
229 1 37 GLU H 1 37 GLU QG 3.380 . 4.960 2.413 2.130 2.754 . 0 0 "[ . 1 . 2]" 1
230 1 86 CYS HB3 1 87 LEU H 3.200 . 4.600 2.477 2.140 3.998 . 0 0 "[ . 1 . 2]" 1
231 1 86 CYS HB2 1 87 LEU H 3.300 . 4.800 3.193 2.524 3.700 . 0 0 "[ . 1 . 2]" 1
232 1 33 ASP H 1 33 ASP HA 2.970 . 4.140 2.812 2.798 2.863 . 0 0 "[ . 1 . 2]" 1
233 1 79 ARG HA 1 80 HIS H 3.120 . 4.440 3.546 3.506 3.571 . 0 0 "[ . 1 . 2]" 1
234 1 79 ARG HB3 1 80 HIS H 3.180 . 4.560 3.723 3.138 4.057 . 0 0 "[ . 1 . 2]" 1
235 1 75 PRO HB2 1 77 LEU H 3.350 . 4.900 2.669 2.365 3.221 . 0 0 "[ . 1 . 2]" 1
236 1 77 LEU H 1 78 GLN H 2.860 . 3.920 2.543 2.461 2.677 . 0 0 "[ . 1 . 2]" 1
237 1 57 ARG QB 1 58 CYS H 3.320 . 4.840 2.961 2.047 4.013 . 0 0 "[ . 1 . 2]" 1
238 1 43 LEU H 1 44 GLU H 2.630 . 3.460 2.380 2.198 2.595 . 0 0 "[ . 1 . 2]" 1
239 1 43 LEU H 1 43 LEU MD1 3.200 . 4.600 3.409 3.178 3.727 . 0 0 "[ . 1 . 2]" 1
240 1 43 LEU H 1 43 LEU MD2 3.380 . 4.960 3.950 3.603 4.356 . 0 0 "[ . 1 . 2]" 1
241 1 46 GLU HA 1 47 HIS H 3.370 . 4.940 3.564 3.535 3.571 . 0 0 "[ . 1 . 2]" 1
242 1 47 HIS H 1 67 VAL H 3.290 . 4.780 3.317 3.036 3.486 . 0 0 "[ . 1 . 2]" 1
243 1 31 SER H 1 34 TYR HB3 3.190 . 4.580 2.546 2.106 3.133 . 0 0 "[ . 1 . 2]" 1
244 1 69 ALA H 1 70 LYS H 2.880 . 3.960 2.294 2.114 2.438 . 0 0 "[ . 1 . 2]" 1
245 1 100 LYS HA 1 101 THR H 2.420 . 3.040 2.163 2.139 2.431 . 0 0 "[ . 1 . 2]" 1
246 1 89 GLU H 1 89 GLU HG2 3.120 . 4.440 3.353 3.049 3.644 . 0 0 "[ . 1 . 2]" 1
247 1 101 THR H 1 101 THR MG 3.120 . 4.440 2.676 2.504 2.962 . 0 0 "[ . 1 . 2]" 1
248 1 105 GLU HA 1 108 THR H 2.890 . 3.980 3.686 3.312 3.980 0.000 13 0 "[ . 1 . 2]" 1
249 1 107 TRP HB2 1 108 THR H 2.930 . 4.060 3.464 3.270 3.670 . 0 0 "[ . 1 . 2]" 1
250 1 107 TRP HB3 1 108 THR H 3.150 . 4.500 2.683 2.288 3.014 . 0 0 "[ . 1 . 2]" 1
251 1 107 TRP HA 1 108 THR H 3.200 . 4.600 3.535 3.488 3.569 . 0 0 "[ . 1 . 2]" 1
252 1 107 TRP H 1 108 THR H 2.700 . 3.600 2.677 2.479 2.867 . 0 0 "[ . 1 . 2]" 1
253 1 70 LYS HA 1 71 PHE H 3.320 . 4.840 3.500 3.486 3.537 . 0 0 "[ . 1 . 2]" 1
254 1 56 ASN QB 1 56 ASN HD22 3.100 . 4.400 3.273 3.213 3.448 . 0 0 "[ . 1 . 2]" 1
255 1 69 ALA MB 1 71 PHE H 3.280 . 4.760 4.500 4.434 4.762 0.002 14 0 "[ . 1 . 2]" 1
256 1 70 LYS HB3 1 71 PHE H 3.390 . 4.980 2.828 2.594 2.927 . 0 0 "[ . 1 . 2]" 1
257 1 93 HIS H 1 93 HIS HA 3.000 . 4.200 2.863 2.860 2.864 . 0 0 "[ . 1 . 2]" 1
258 1 102 LEU MD2 1 103 THR H 3.370 . 4.940 2.158 1.876 2.504 . 0 0 "[ . 1 . 2]" 1
259 1 78 GLN HE21 1 78 GLN QG 3.030 . 4.260 2.261 2.092 2.541 . 0 0 "[ . 1 . 2]" 1
260 1 110 GLN HE21 1 110 GLN QG 3.050 . 4.300 2.279 2.102 2.692 . 0 0 "[ . 1 . 2]" 1
261 1 110 GLN HE22 1 110 GLN QG 3.330 . 4.860 3.291 3.216 3.451 . 0 0 "[ . 1 . 2]" 1
262 1 41 GLN HA 1 41 GLN QB 2.110 . 2.610 2.291 2.178 2.443 . 0 0 "[ . 1 . 2]" 1
263 1 109 ARG HA 1 109 ARG QB 2.010 . 2.510 2.424 2.181 2.506 . 0 0 "[ . 1 . 2]" 1
264 1 46 GLU HA 1 46 GLU QB 2.030 . 2.530 2.447 2.373 2.501 . 0 0 "[ . 1 . 2]" 1
265 1 111 ARG HA 1 111 ARG QB 2.150 . 2.650 2.355 2.175 2.509 . 0 0 "[ . 1 . 2]" 1
266 1 30 LEU HA 1 30 LEU MD1 2.200 . 2.700 2.439 1.986 2.705 0.005 7 0 "[ . 1 . 2]" 1
267 1 43 LEU HA 1 43 LEU MD2 2.120 . 2.620 2.353 1.975 2.620 0.000 9 0 "[ . 1 . 2]" 1
268 1 35 LEU HA 1 35 LEU MD2 2.190 . 2.690 2.024 1.974 2.158 . 0 0 "[ . 1 . 2]" 1
269 1 82 LEU HA 1 82 LEU MD2 2.080 . 2.580 2.134 1.967 2.455 . 0 0 "[ . 1 . 2]" 1
270 1 55 LEU HA 1 55 LEU MD2 2.070 . 2.570 2.211 1.985 2.536 . 0 0 "[ . 1 . 2]" 1
271 1 87 LEU HA 1 87 LEU MD2 2.190 . 2.690 2.445 2.028 2.605 . 0 0 "[ . 1 . 2]" 1
272 1 53 THR HA 1 53 THR MG 2.180 . 2.680 2.486 2.364 2.561 . 0 0 "[ . 1 . 2]" 1
273 1 108 THR HA 1 108 THR MG 2.170 . 2.670 2.310 2.217 2.443 . 0 0 "[ . 1 . 2]" 1
274 1 94 ILE HB 1 94 ILE QG 2.060 . 2.560 2.187 2.186 2.189 . 0 0 "[ . 1 . 2]" 1
275 1 55 LEU HB2 1 55 LEU MD1 1.980 . 2.480 2.234 2.003 2.440 . 0 0 "[ . 1 . 2]" 1
276 1 65 LEU MD2 1 100 LYS QB 2.070 . 2.570 1.886 1.796 2.475 0.004 2 0 "[ . 1 . 2]" 1
277 1 55 LEU HB3 1 55 LEU MD2 2.120 . 2.620 2.272 2.036 2.445 . 0 0 "[ . 1 . 2]" 1
278 1 32 ALA MB 1 50 VAL MG2 2.190 . 2.690 1.897 1.798 2.074 0.002 5 0 "[ . 1 . 2]" 1
279 1 35 LEU MD1 1 87 LEU MD1 2.180 . 2.680 2.619 2.465 2.682 0.002 20 0 "[ . 1 . 2]" 1
280 1 88 ALA H 1 88 ALA MB 1.930 . 2.430 2.166 2.097 2.233 . 0 0 "[ . 1 . 2]" 1
281 1 67 VAL MG2 1 102 LEU HB3 3.350 . 4.900 3.778 3.313 4.114 . 0 0 "[ . 1 . 2]" 1
282 1 67 VAL MG2 1 102 LEU HB2 3.160 . 4.520 3.195 2.862 3.739 . 0 0 "[ . 1 . 2]" 1
283 1 50 VAL MG2 1 62 PHE HB3 3.070 . 4.340 3.419 2.850 3.989 . 0 0 "[ . 1 . 2]" 1
284 1 62 PHE HB2 1 97 PHE QD 3.140 . 4.480 3.129 2.506 3.611 . 0 0 "[ . 1 . 2]" 1
285 1 62 PHE HB3 1 97 PHE QD 3.300 . 4.800 4.281 3.667 4.801 0.001 7 0 "[ . 1 . 2]" 1
286 1 62 PHE H 1 62 PHE HB2 3.390 . 4.980 2.727 2.441 2.897 . 0 0 "[ . 1 . 2]" 1
287 1 91 LEU MD2 1 94 ILE QG 2.340 . 2.880 2.889 2.885 2.896 0.016 20 0 "[ . 1 . 2]" 1
288 1 35 LEU MD1 1 94 ILE QG 2.500 . 3.200 3.172 2.937 3.203 0.003 16 0 "[ . 1 . 2]" 1
289 1 91 LEU HA 1 94 ILE QG 2.460 . 3.120 2.473 2.325 2.513 . 0 0 "[ . 1 . 2]" 1
290 1 94 ILE HA 1 94 ILE QG 2.830 . 3.860 3.008 2.989 3.074 . 0 0 "[ . 1 . 2]" 1
291 1 94 ILE QG 1 97 PHE QD 2.760 . 3.720 2.475 1.978 3.023 . 0 0 "[ . 1 . 2]" 1
292 1 94 ILE H 1 94 ILE QG 2.800 . 3.800 1.972 1.964 1.979 . 0 0 "[ . 1 . 2]" 1
293 1 91 LEU H 1 94 ILE QG 3.350 . 4.900 4.143 3.990 4.245 . 0 0 "[ . 1 . 2]" 1
294 1 79 ARG HB3 1 79 ARG HD2 3.170 . 4.540 3.103 2.035 3.844 . 0 0 "[ . 1 . 2]" 1
295 1 79 ARG HB3 1 79 ARG HD3 3.350 . 4.900 2.874 2.364 3.464 . 0 0 "[ . 1 . 2]" 1
296 1 36 ARG QD 1 50 VAL H 3.390 . 4.980 2.812 2.096 4.363 . 0 0 "[ . 1 . 2]" 1
297 1 36 ARG H 1 36 ARG QD 3.380 . 4.960 4.479 4.335 4.708 . 0 0 "[ . 1 . 2]" 1
298 1 36 ARG QD 1 49 GLU HA 3.170 . 4.540 2.982 1.960 4.514 . 0 0 "[ . 1 . 2]" 1
299 1 36 ARG QD 1 50 VAL MG1 2.980 . 4.160 2.103 1.826 2.884 . 0 0 "[ . 1 . 2]" 1
300 1 30 LEU H 1 30 LEU HB2 2.750 . 3.700 2.857 2.307 3.414 . 0 0 "[ . 1 . 2]" 1
301 1 30 LEU HB2 1 31 SER H 3.200 . 4.600 4.253 3.802 4.552 . 0 0 "[ . 1 . 2]" 1
302 1 30 LEU HB3 1 31 SER H 3.360 . 4.920 3.316 2.424 4.351 . 0 0 "[ . 1 . 2]" 1
303 1 30 LEU HB3 1 62 PHE HZ 3.120 . 4.440 4.338 3.995 4.442 0.002 12 0 "[ . 1 . 2]" 1
304 1 30 LEU HA 1 30 LEU HB2 2.680 . 3.560 2.991 2.976 3.006 . 0 0 "[ . 1 . 2]" 1
305 1 30 LEU HA 1 30 LEU HB3 2.670 . 3.540 2.610 2.569 2.642 . 0 0 "[ . 1 . 2]" 1
306 1 30 LEU HB3 1 30 LEU MD2 2.590 . 3.380 2.680 2.136 3.195 . 0 0 "[ . 1 . 2]" 1
307 1 30 LEU HB2 1 30 LEU MD2 2.700 . 3.600 2.426 2.312 2.508 . 0 0 "[ . 1 . 2]" 1
308 1 30 LEU HB3 1 30 LEU MD1 2.770 . 3.740 2.769 2.177 3.195 . 0 0 "[ . 1 . 2]" 1
309 1 39 LEU H 1 39 LEU HB3 2.890 . 3.980 3.583 3.568 3.591 . 0 0 "[ . 1 . 2]" 1
310 1 39 LEU H 1 39 LEU HB2 2.990 . 4.180 2.512 2.336 2.646 . 0 0 "[ . 1 . 2]" 1
311 1 39 LEU HB2 1 40 ARG H 3.260 . 4.720 2.705 2.380 2.861 . 0 0 "[ . 1 . 2]" 1
312 1 39 LEU HB3 1 39 LEU HG 2.960 . 4.120 3.008 2.974 3.020 . 0 0 "[ . 1 . 2]" 1
313 1 39 LEU HB3 1 39 LEU MD2 2.410 . 3.020 2.252 2.026 2.391 . 0 0 "[ . 1 . 2]" 1
314 1 39 LEU HB3 1 39 LEU MD1 2.790 . 3.780 2.496 2.272 2.709 . 0 0 "[ . 1 . 2]" 1
315 1 39 LEU HB2 1 39 LEU MD1 2.800 . 3.800 2.198 2.005 2.393 . 0 0 "[ . 1 . 2]" 1
316 1 107 TRP HE1 1 111 ARG QD 3.350 . 4.900 4.238 2.969 4.901 0.001 6 0 "[ . 1 . 2]" 1
317 1 111 ARG HA 1 111 ARG QD 3.210 . 4.620 3.494 1.999 4.439 . 0 0 "[ . 1 . 2]" 1
318 1 111 ARG QB 1 111 ARG QD 2.460 . 3.120 2.129 1.947 2.603 . 0 0 "[ . 1 . 2]" 1
319 1 111 ARG QD 1 111 ARG HG3 2.320 . 2.840 2.353 2.141 2.525 . 0 0 "[ . 1 . 2]" 1
320 1 55 LEU H 1 55 LEU HB3 2.980 . 4.160 3.789 3.514 4.088 . 0 0 "[ . 1 . 2]" 1
321 1 55 LEU HB3 1 56 ASN H 3.080 . 4.360 3.739 3.216 4.363 0.003 14 0 "[ . 1 . 2]" 1
322 1 55 LEU HA 1 55 LEU HB3 2.570 . 3.340 2.550 2.346 2.878 . 0 0 "[ . 1 . 2]" 1
323 1 55 LEU HA 1 55 LEU HB2 2.640 . 3.480 2.993 2.813 3.018 . 0 0 "[ . 1 . 2]" 1
324 1 82 LEU H 1 82 LEU HB2 2.580 . 3.360 2.177 2.174 2.180 . 0 0 "[ . 1 . 2]" 1
325 1 35 LEU HB2 1 36 ARG H 3.120 . 4.440 2.803 2.599 2.851 . 0 0 "[ . 1 . 2]" 1
326 1 82 LEU HA 1 82 LEU HB2 2.620 . 3.440 2.968 2.965 2.971 . 0 0 "[ . 1 . 2]" 1
327 1 35 LEU HB3 1 36 ARG H 3.180 . 4.560 3.924 3.673 3.999 . 0 0 "[ . 1 . 2]" 1
328 1 76 LEU HA 1 76 LEU HB2 2.740 . 3.680 2.527 2.427 2.648 . 0 0 "[ . 1 . 2]" 1
329 1 35 LEU HB3 1 35 LEU MD1 2.720 . 3.640 2.431 2.267 2.510 . 0 0 "[ . 1 . 2]" 1
330 1 82 LEU HA 1 82 LEU HB3 2.740 . 3.680 2.679 2.671 2.684 . 0 0 "[ . 1 . 2]" 1
331 1 79 ARG HA 1 82 LEU HB3 3.380 . 4.960 4.185 3.900 4.636 . 0 0 "[ . 1 . 2]" 1
332 1 82 LEU HB3 1 82 LEU HG 2.760 . 3.720 3.010 2.980 3.019 . 0 0 "[ . 1 . 2]" 1
333 1 82 LEU HB2 1 82 LEU HG 2.690 . 3.580 2.526 2.430 2.654 . 0 0 "[ . 1 . 2]" 1
334 1 82 LEU HB3 1 82 LEU MD2 2.520 . 3.240 2.284 2.174 2.368 . 0 0 "[ . 1 . 2]" 1
335 1 35 LEU HB2 1 35 LEU MD2 3.020 . 4.240 3.188 3.183 3.195 . 0 0 "[ . 1 . 2]" 1
336 1 76 LEU HB2 1 76 LEU HG 2.580 . 3.360 2.747 2.453 3.006 . 0 0 "[ . 1 . 2]" 1
337 1 76 LEU HB2 1 76 LEU MD1 2.680 . 3.560 2.217 2.016 3.197 . 0 0 "[ . 1 . 2]" 1
338 1 76 LEU HB3 1 76 LEU MD1 2.650 . 3.500 2.759 2.342 3.171 . 0 0 "[ . 1 . 2]" 1
339 1 38 LYS HE3 1 87 LEU QD 2.780 . 3.760 3.283 2.658 3.759 . 0 0 "[ . 1 . 2]" 1
340 1 38 LYS HE2 1 87 LEU QD 2.800 . 3.800 2.830 1.873 3.777 . 0 0 "[ . 1 . 2]" 1
341 1 38 LYS HE2 1 38 LYS HG3 2.760 . 3.720 3.391 2.091 3.720 . 0 0 "[ . 1 . 2]" 1
342 1 38 LYS HE3 1 38 LYS HG3 2.630 . 3.460 2.801 2.286 3.460 . 0 0 "[ . 1 . 2]" 1
343 1 43 LEU HA 1 70 LYS HE3 2.740 . 3.680 3.061 2.254 3.681 0.001 18 0 "[ . 1 . 2]" 1
344 1 43 LEU HA 1 70 LYS HE2 3.030 . 4.260 3.862 3.502 4.199 . 0 0 "[ . 1 . 2]" 1
345 1 44 GLU HB3 1 70 LYS HE2 2.930 . 4.060 4.027 3.765 4.063 0.003 2 0 "[ . 1 . 2]" 1
346 1 44 GLU HB2 1 70 LYS HE3 3.120 . 4.440 3.598 2.783 4.088 . 0 0 "[ . 1 . 2]" 1
347 1 44 GLU HB2 1 70 LYS HE2 2.960 . 4.120 2.727 2.379 3.139 . 0 0 "[ . 1 . 2]" 1
348 1 70 LYS HD3 1 70 LYS HE2 2.520 . 3.240 2.854 2.453 3.003 . 0 0 "[ . 1 . 2]" 1
349 1 70 LYS HD2 1 70 LYS HE2 2.520 . 3.240 2.712 2.341 3.016 . 0 0 "[ . 1 . 2]" 1
350 1 70 LYS HD2 1 70 LYS HE3 2.470 . 3.140 2.331 2.216 2.549 . 0 0 "[ . 1 . 2]" 1
351 1 70 LYS HD3 1 70 LYS HE3 2.470 . 3.140 2.715 2.343 3.017 . 0 0 "[ . 1 . 2]" 1
352 1 70 LYS HE3 1 70 LYS QG 2.530 . 3.260 3.045 2.400 3.282 0.022 17 0 "[ . 1 . 2]" 1
353 1 70 LYS HE2 1 70 LYS QG 2.510 . 3.220 2.325 2.031 2.829 . 0 0 "[ . 1 . 2]" 1
354 1 43 LEU MD2 1 70 LYS HE2 3.370 . 4.940 4.579 3.850 4.941 0.001 13 0 "[ . 1 . 2]" 1
355 1 43 LEU MD2 1 70 LYS HE3 3.170 . 4.540 3.715 3.017 4.397 . 0 0 "[ . 1 . 2]" 1
356 1 82 LEU H 1 82 LEU HB3 2.640 . 3.480 3.484 3.481 3.487 0.007 2 0 "[ . 1 . 2]" 1
357 1 82 LEU HB3 1 83 VAL H 2.910 . 4.020 3.140 2.919 3.464 . 0 0 "[ . 1 . 2]" 1
358 1 36 ARG QD 1 48 VAL MG2 3.090 . 4.380 2.656 2.006 3.295 . 0 0 "[ . 1 . 2]" 1
359 1 40 ARG H 1 40 ARG QD 3.390 . 4.980 4.464 4.222 4.688 . 0 0 "[ . 1 . 2]" 1
360 1 77 LEU H 1 77 LEU HB3 2.380 . 2.960 2.706 2.545 2.832 . 0 0 "[ . 1 . 2]" 1
361 1 77 LEU HA 1 77 LEU HB3 2.590 . 3.380 2.384 2.325 2.440 . 0 0 "[ . 1 . 2]" 1
362 1 77 LEU HA 1 77 LEU HB2 2.610 . 3.420 2.493 2.432 2.565 . 0 0 "[ . 1 . 2]" 1
363 1 77 LEU HB3 1 77 LEU MD2 2.540 . 3.280 2.078 1.962 2.174 . 0 0 "[ . 1 . 2]" 1
364 1 77 LEU HB2 1 77 LEU MD1 2.590 . 3.380 2.090 1.960 2.202 . 0 0 "[ . 1 . 2]" 1
365 1 52 ASP H 1 52 ASP HB3 2.570 . 3.340 2.843 2.726 2.855 . 0 0 "[ . 1 . 2]" 1
366 1 52 ASP H 1 52 ASP HB2 2.600 . 3.400 3.394 3.334 3.405 0.005 14 0 "[ . 1 . 2]" 1
367 1 52 ASP HB2 1 62 PHE QD 2.950 . 4.100 2.502 2.108 2.662 . 0 0 "[ . 1 . 2]" 1
368 1 52 ASP HB3 1 62 PHE QD 3.060 . 4.320 4.209 3.802 4.323 0.003 18 0 "[ . 1 . 2]" 1
369 1 52 ASP HA 1 52 ASP HB3 2.930 . 4.060 3.025 3.024 3.026 . 0 0 "[ . 1 . 2]" 1
370 1 51 GLU HA 1 52 ASP HB3 3.070 . 4.340 4.360 4.357 4.364 0.024 20 0 "[ . 1 . 2]" 1
371 1 52 ASP HA 1 52 ASP HB2 2.870 . 3.940 2.423 2.410 2.427 . 0 0 "[ . 1 . 2]" 1
372 1 32 ALA MB 1 52 ASP HB2 2.970 . 4.140 2.640 2.112 3.183 . 0 0 "[ . 1 . 2]" 1
373 1 33 ASP H 1 33 ASP HB3 2.600 . 3.400 3.077 2.671 3.405 0.005 11 0 "[ . 1 . 2]" 1
374 1 33 ASP H 1 33 ASP HB2 2.640 . 3.480 2.172 2.099 2.396 . 0 0 "[ . 1 . 2]" 1
375 1 33 ASP HB2 1 34 TYR H 3.070 . 4.340 3.529 3.148 3.920 . 0 0 "[ . 1 . 2]" 1
376 1 33 ASP HB3 1 34 TYR H 3.020 . 4.240 3.053 2.833 3.363 . 0 0 "[ . 1 . 2]" 1
377 1 33 ASP HA 1 33 ASP HB3 2.570 . 3.340 2.912 2.759 3.022 . 0 0 "[ . 1 . 2]" 1
378 1 33 ASP HA 1 33 ASP HB2 2.610 . 3.420 2.746 2.524 2.929 . 0 0 "[ . 1 . 2]" 1
379 1 87 LEU HB2 1 87 LEU QD 2.570 . 3.340 2.200 2.012 2.384 . 0 0 "[ . 1 . 2]" 1
380 1 87 LEU HB3 1 87 LEU QD 2.620 . 3.440 2.064 2.003 2.276 . 0 0 "[ . 1 . 2]" 1
381 1 42 ASP H 1 42 ASP HB3 2.610 . 3.420 2.772 2.552 3.429 0.009 20 0 "[ . 1 . 2]" 1
382 1 42 ASP H 1 42 ASP HB2 2.650 . 3.500 2.355 2.115 2.516 . 0 0 "[ . 1 . 2]" 1
383 1 42 ASP HB3 1 43 LEU H 3.030 . 4.260 2.328 2.142 2.935 . 0 0 "[ . 1 . 2]" 1
384 1 42 ASP HB2 1 43 LEU H 3.030 . 4.260 3.508 2.677 3.739 . 0 0 "[ . 1 . 2]" 1
385 1 42 ASP HB3 1 43 LEU MD1 3.380 . 4.960 3.893 3.284 4.299 . 0 0 "[ . 1 . 2]" 1
386 1 91 LEU H 1 91 LEU HB3 2.910 . 4.020 3.459 3.412 3.482 . 0 0 "[ . 1 . 2]" 1
387 1 91 LEU HA 1 91 LEU HB3 2.920 . 4.040 2.751 2.742 2.796 . 0 0 "[ . 1 . 2]" 1
388 1 91 LEU HA 1 91 LEU HB2 2.970 . 4.140 2.924 2.893 2.929 . 0 0 "[ . 1 . 2]" 1
389 1 91 LEU HB3 1 91 LEU MD1 2.570 . 3.340 2.302 2.212 2.382 . 0 0 "[ . 1 . 2]" 1
390 1 91 LEU HB2 1 91 LEU MD1 2.580 . 3.360 2.382 2.300 2.455 . 0 0 "[ . 1 . 2]" 1
391 1 91 LEU HB2 1 91 LEU MD2 2.930 . 4.060 3.195 3.194 3.195 . 0 0 "[ . 1 . 2]" 1
392 1 91 LEU HB3 1 91 LEU MD2 2.760 . 3.720 2.378 2.366 2.403 . 0 0 "[ . 1 . 2]" 1
393 1 43 LEU H 1 43 LEU HB3 2.730 . 3.660 3.591 3.503 3.658 . 0 0 "[ . 1 . 2]" 1
394 1 43 LEU H 1 43 LEU HB2 2.940 . 4.080 2.385 2.206 2.523 . 0 0 "[ . 1 . 2]" 1
395 1 43 LEU HA 1 43 LEU HB2 2.860 . 3.920 3.010 2.979 3.019 . 0 0 "[ . 1 . 2]" 1
396 1 43 LEU HA 1 43 LEU HB3 2.900 . 4.000 2.529 2.437 2.647 . 0 0 "[ . 1 . 2]" 1
397 1 43 LEU HB3 1 43 LEU MD1 2.600 . 3.400 2.563 2.372 2.725 . 0 0 "[ . 1 . 2]" 1
398 1 43 LEU HB2 1 43 LEU MD1 2.680 . 3.560 2.156 1.975 2.322 . 0 0 "[ . 1 . 2]" 1
399 1 43 LEU HB3 1 43 LEU MD2 2.800 . 3.800 2.171 2.011 2.347 . 0 0 "[ . 1 . 2]" 1
400 1 43 LEU HB2 1 43 LEU MD2 2.860 . 3.920 3.144 3.097 3.188 . 0 0 "[ . 1 . 2]" 1
401 1 91 LEU MD2 1 94 ILE HB 3.050 . 4.300 2.936 2.726 3.205 . 0 0 "[ . 1 . 2]" 1
402 1 91 LEU HA 1 94 ILE HB 2.910 . 4.020 3.006 2.780 3.234 . 0 0 "[ . 1 . 2]" 1
403 1 56 ASN H 1 56 ASN QB 2.800 . 3.800 2.557 2.163 2.972 . 0 0 "[ . 1 . 2]" 1
404 1 56 ASN HA 1 56 ASN QB 2.500 . 3.200 2.450 2.181 2.510 . 0 0 "[ . 1 . 2]" 1
405 1 54 THR MG 1 56 ASN QB 3.180 . 4.560 3.894 2.427 4.561 0.001 9 0 "[ . 1 . 2]" 1
406 1 34 TYR HB2 1 35 LEU H 3.050 . 4.300 3.735 3.594 3.824 . 0 0 "[ . 1 . 2]" 1
407 1 31 SER H 1 34 TYR HB2 3.210 . 4.620 3.354 2.548 4.282 . 0 0 "[ . 1 . 2]" 1
408 1 30 LEU MD1 1 90 GLU HG3 3.140 . 4.480 3.001 2.069 4.096 . 0 0 "[ . 1 . 2]" 1
409 1 30 LEU MD1 1 90 GLU HG2 3.110 . 4.420 2.931 2.105 3.918 . 0 0 "[ . 1 . 2]" 1
410 1 87 LEU QD 1 90 GLU HG2 3.200 . 4.600 3.505 2.901 4.601 0.001 5 0 "[ . 1 . 2]" 1
411 1 87 LEU QD 1 90 GLU HG3 3.300 . 4.800 4.402 3.391 4.776 . 0 0 "[ . 1 . 2]" 1
412 1 35 LEU MD2 1 90 GLU HG3 3.250 . 4.700 4.383 3.280 4.696 . 0 0 "[ . 1 . 2]" 1
413 1 35 LEU MD2 1 90 GLU HG2 3.110 . 4.420 3.257 2.761 4.403 . 0 0 "[ . 1 . 2]" 1
414 1 79 ARG HB2 1 101 THR HB 3.320 . 4.840 4.391 3.917 4.841 0.001 16 0 "[ . 1 . 2]" 1
415 1 101 THR HA 1 101 THR HB 2.990 . 4.180 2.401 2.378 2.483 . 0 0 "[ . 1 . 2]" 1
416 1 54 THR H 1 54 THR HB 3.080 . 4.360 3.317 2.601 3.915 . 0 0 "[ . 1 . 2]" 1
417 1 54 THR HB 1 55 LEU H 3.330 . 4.860 3.590 1.981 4.572 . 0 0 "[ . 1 . 2]" 1
418 1 108 THR H 1 108 THR HB 2.450 . 3.100 2.637 2.530 2.734 . 0 0 "[ . 1 . 2]" 1
419 1 108 THR HB 1 109 ARG H 2.670 . 3.540 2.767 2.259 2.929 . 0 0 "[ . 1 . 2]" 1
420 1 108 THR HA 1 108 THR HB 2.430 . 3.060 3.020 3.012 3.025 . 0 0 "[ . 1 . 2]" 1
421 1 84 ASN H 1 84 ASN HB3 2.810 . 3.820 3.516 2.746 3.598 . 0 0 "[ . 1 . 2]" 1
422 1 84 ASN HB3 1 84 ASN HD21 3.120 . 4.440 3.045 2.217 3.545 . 0 0 "[ . 1 . 2]" 1
423 1 84 ASN HB2 1 84 ASN HD21 3.070 . 4.340 2.271 2.114 2.943 . 0 0 "[ . 1 . 2]" 1
424 1 84 ASN HA 1 84 ASN HB3 2.670 . 3.540 2.560 2.374 2.679 . 0 0 "[ . 1 . 2]" 1
425 1 84 ASN HA 1 84 ASN HB2 2.570 . 3.340 2.986 2.545 3.027 . 0 0 "[ . 1 . 2]" 1
426 1 84 ASN HB2 1 91 LEU MD1 3.130 . 4.460 3.903 2.163 4.284 . 0 0 "[ . 1 . 2]" 1
427 1 44 GLU H 1 44 GLU HG3 2.780 . 3.760 3.449 2.956 3.694 . 0 0 "[ . 1 . 2]" 1
428 1 44 GLU H 1 44 GLU HG2 2.790 . 3.780 3.445 2.873 3.780 . 0 0 "[ . 1 . 2]" 1
429 1 44 GLU HA 1 44 GLU HG2 2.650 . 3.500 2.273 2.096 2.602 . 0 0 "[ . 1 . 2]" 1
430 1 85 GLU H 1 85 GLU HG2 2.470 . 3.140 3.136 3.078 3.148 0.008 11 0 "[ . 1 . 2]" 1
431 1 85 GLU HA 1 85 GLU HG3 2.600 . 3.400 3.400 3.383 3.417 0.017 11 0 "[ . 1 . 2]" 1
432 1 81 ARG HG2 1 85 GLU HG2 3.160 . 4.520 4.211 3.331 4.522 0.002 5 0 "[ . 1 . 2]" 1
433 1 88 ALA MB 1 89 GLU HG2 2.980 . 4.160 3.847 3.564 4.157 . 0 0 "[ . 1 . 2]" 1
434 1 89 GLU H 1 89 GLU HG3 2.570 . 3.340 2.317 2.003 2.827 . 0 0 "[ . 1 . 2]" 1
435 1 89 GLU HA 1 89 GLU HG3 2.590 . 3.380 3.193 2.902 3.371 . 0 0 "[ . 1 . 2]" 1
436 1 72 GLU HG2 1 103 THR HB 3.190 . 4.580 3.915 2.996 4.562 . 0 0 "[ . 1 . 2]" 1
437 1 72 GLU HG3 1 103 THR HB 3.210 . 4.620 3.554 2.702 4.367 . 0 0 "[ . 1 . 2]" 1
438 1 72 GLU H 1 72 GLU HG2 2.720 . 3.640 3.255 3.207 3.311 . 0 0 "[ . 1 . 2]" 1
439 1 69 ALA HA 1 72 GLU HG2 2.860 . 3.920 3.922 3.920 3.924 0.004 1 0 "[ . 1 . 2]" 1
440 1 72 GLU HA 1 72 GLU HG2 2.900 . 4.000 2.347 2.300 2.387 . 0 0 "[ . 1 . 2]" 1
441 1 72 GLU HG2 1 103 THR MG 2.910 . 4.020 1.903 1.836 2.045 . 0 0 "[ . 1 . 2]" 1
442 1 72 GLU HG3 1 103 THR MG 2.890 . 3.980 2.297 1.910 2.923 . 0 0 "[ . 1 . 2]" 1
443 1 106 GLN H 1 106 GLN HG3 2.780 . 3.760 3.317 2.426 3.762 0.002 14 0 "[ . 1 . 2]" 1
444 1 106 GLN HE21 1 106 GLN HG2 2.840 . 3.880 2.559 2.118 3.416 . 0 0 "[ . 1 . 2]" 1
445 1 106 GLN HA 1 106 GLN HG3 2.910 . 4.020 3.379 2.378 3.755 . 0 0 "[ . 1 . 2]" 1
446 1 106 GLN HA 1 106 GLN HG2 2.860 . 3.920 2.503 2.114 2.874 . 0 0 "[ . 1 . 2]" 1
447 1 106 GLN HB3 1 106 GLN HG3 2.890 . 3.980 2.742 2.472 3.010 . 0 0 "[ . 1 . 2]" 1
448 1 31 SER HB2 1 33 ASP H 3.320 . 4.840 4.084 2.897 4.798 . 0 0 "[ . 1 . 2]" 1
449 1 31 SER HB3 1 33 ASP H 3.170 . 4.540 3.222 2.689 4.114 . 0 0 "[ . 1 . 2]" 1
450 1 31 SER H 1 31 SER HB2 3.300 . 4.800 2.877 2.447 3.685 . 0 0 "[ . 1 . 2]" 1
451 1 31 SER HA 1 31 SER HB3 2.610 . 3.420 2.585 2.244 3.026 . 0 0 "[ . 1 . 2]" 1
452 1 31 SER HA 1 31 SER HB2 2.650 . 3.500 2.925 2.516 3.028 . 0 0 "[ . 1 . 2]" 1
453 1 31 SER HB3 1 32 ALA MB 3.380 . 4.960 4.250 3.680 4.965 0.005 14 0 "[ . 1 . 2]" 1
454 1 104 PRO HA 1 107 TRP HB2 2.960 . 4.120 3.426 3.224 3.649 . 0 0 "[ . 1 . 2]" 1
455 1 104 PRO HA 1 107 TRP HB3 3.170 . 4.540 3.516 3.284 3.875 . 0 0 "[ . 1 . 2]" 1
456 1 67 VAL MG1 1 104 PRO HA 2.380 . 2.960 2.172 1.912 2.450 . 0 0 "[ . 1 . 2]" 1
457 1 104 PRO HA 1 107 TRP H 3.200 . 4.600 3.644 3.477 3.803 . 0 0 "[ . 1 . 2]" 1
458 1 61 SER HB3 1 62 PHE H 3.160 . 4.520 3.453 2.595 4.055 . 0 0 "[ . 1 . 2]" 1
459 1 61 SER HB2 1 62 PHE H 3.200 . 4.600 3.375 2.447 4.340 . 0 0 "[ . 1 . 2]" 1
460 1 49 GLU HA 1 49 GLU QG 2.760 . 3.720 2.289 2.084 2.855 . 0 0 "[ . 1 . 2]" 1
461 1 51 GLU HG3 1 53 THR MG 3.030 . 4.260 3.983 3.348 4.263 0.003 18 0 "[ . 1 . 2]" 1
462 1 98 GLU HG3 1 99 GLN H 3.180 . 4.560 3.248 2.600 4.388 . 0 0 "[ . 1 . 2]" 1
463 1 98 GLU HG2 1 99 GLN H 3.200 . 4.600 3.812 2.795 4.580 . 0 0 "[ . 1 . 2]" 1
464 1 98 GLU H 1 98 GLU HG2 3.370 . 4.940 4.779 4.420 4.943 0.003 11 0 "[ . 1 . 2]" 1
465 1 98 GLU H 1 98 GLU HG3 3.310 . 4.820 4.619 4.466 4.821 0.001 1 0 "[ . 1 . 2]" 1
466 1 98 GLU HA 1 98 GLU HG2 2.910 . 4.020 3.252 2.295 3.795 . 0 0 "[ . 1 . 2]" 1
467 1 98 GLU HA 1 98 GLU HG3 2.860 . 3.920 2.546 2.156 2.947 . 0 0 "[ . 1 . 2]" 1
468 1 36 ARG HA 1 48 VAL HB 3.350 . 4.900 4.151 3.604 4.546 . 0 0 "[ . 1 . 2]" 1
469 1 36 ARG HG3 1 48 VAL HB 2.920 . 4.040 2.953 2.058 3.580 . 0 0 "[ . 1 . 2]" 1
470 1 100 LYS QB 1 100 LYS HG2 2.560 . 3.320 2.242 2.132 2.493 . 0 0 "[ . 1 . 2]" 1
471 1 100 LYS QB 1 100 LYS HG3 2.270 . 2.770 2.413 2.136 2.508 . 0 0 "[ . 1 . 2]" 1
472 1 100 LYS QB 1 100 LYS QE 2.950 . 4.100 3.219 2.226 3.701 . 0 0 "[ . 1 . 2]" 1
473 1 100 LYS HA 1 100 LYS QB 2.490 . 3.180 2.463 2.354 2.532 . 0 0 "[ . 1 . 2]" 1
474 1 65 LEU HA 1 100 LYS QB 2.660 . 3.520 3.271 2.420 3.522 0.002 13 0 "[ . 1 . 2]" 1
475 1 100 LYS H 1 100 LYS QB 2.590 . 3.380 2.607 2.374 2.756 . 0 0 "[ . 1 . 2]" 1
476 1 100 LYS QB 1 101 THR H 3.080 . 4.360 3.597 2.921 3.830 . 0 0 "[ . 1 . 2]" 1
477 1 66 VAL H 1 100 LYS QB 3.230 . 4.660 3.976 3.444 4.421 . 0 0 "[ . 1 . 2]" 1
478 1 66 VAL H 1 66 VAL HB 2.980 . 4.160 2.894 2.807 2.990 . 0 0 "[ . 1 . 2]" 1
479 1 64 VAL HB 1 65 LEU H 2.780 . 3.760 3.043 2.606 3.332 . 0 0 "[ . 1 . 2]" 1
480 1 64 VAL HA 1 64 VAL HB 2.530 . 3.260 2.497 2.463 2.542 . 0 0 "[ . 1 . 2]" 1
481 1 41 GLN H 1 41 GLN HG2 2.710 . 3.620 2.581 1.998 3.130 . 0 0 "[ . 1 . 2]" 1
482 1 41 GLN H 1 41 GLN HG3 2.690 . 3.580 2.863 1.993 3.495 . 0 0 "[ . 1 . 2]" 1
483 1 41 GLN HE21 1 41 GLN HG3 3.070 . 4.340 2.531 2.122 3.505 . 0 0 "[ . 1 . 2]" 1
484 1 41 GLN HE21 1 41 GLN HG2 3.120 . 4.440 2.993 2.124 3.541 . 0 0 "[ . 1 . 2]" 1
485 1 41 GLN HG2 1 42 ASP H 3.240 . 4.680 3.942 2.297 4.681 0.001 17 0 "[ . 1 . 2]" 1
486 1 54 THR HA 1 55 LEU H 2.720 . 3.640 2.497 2.140 3.567 . 0 0 "[ . 1 . 2]" 1
487 1 54 THR HA 1 54 THR HB 2.980 . 4.160 2.834 2.418 3.025 . 0 0 "[ . 1 . 2]" 1
488 1 54 THR HA 1 54 THR MG 2.720 . 3.640 2.480 2.067 3.226 . 0 0 "[ . 1 . 2]" 1
489 1 108 THR HA 1 111 ARG QD 3.120 . 4.440 3.385 2.035 4.440 0.000 15 0 "[ . 1 . 2]" 1
490 1 108 THR HA 1 109 ARG H 2.920 . 4.040 3.503 3.477 3.568 . 0 0 "[ . 1 . 2]" 1
491 1 108 THR HA 1 111 ARG H 3.210 . 4.620 4.389 3.837 4.622 0.002 20 0 "[ . 1 . 2]" 1
492 1 108 THR H 1 108 THR HA 2.580 . 3.360 2.797 2.787 2.826 . 0 0 "[ . 1 . 2]" 1
493 1 92 PRO HA 1 93 HIS H 2.990 . 4.180 3.531 3.515 3.542 . 0 0 "[ . 1 . 2]" 1
494 1 28 MET HA 1 28 MET QB 2.440 . 3.080 2.456 2.295 2.538 . 0 0 "[ . 1 . 2]" 1
495 1 63 ARG QB 1 63 ARG QG 2.250 . 2.750 2.062 2.021 2.087 . 0 0 "[ . 1 . 2]" 1
496 1 63 ARG QB 1 63 ARG QD 2.640 . 3.480 2.125 1.946 2.353 . 0 0 "[ . 1 . 2]" 1
497 1 63 ARG HA 1 63 ARG QB 2.600 . 3.400 2.415 2.179 2.538 . 0 0 "[ . 1 . 2]" 1
498 1 45 ALA HA 1 68 SER HB2 3.230 . 4.660 2.289 1.972 3.189 . 0 0 "[ . 1 . 2]" 1
499 1 45 ALA MB 1 68 SER HB2 3.230 . 4.660 2.554 2.130 3.803 . 0 0 "[ . 1 . 2]" 1
500 1 66 VAL MG1 1 68 SER HB2 3.120 . 4.440 3.513 3.183 4.447 0.007 1 0 "[ . 1 . 2]" 1
501 1 51 GLU H 1 51 GLU HB3 3.000 . 4.200 3.053 2.731 3.529 . 0 0 "[ . 1 . 2]" 1
502 1 51 GLU H 1 51 GLU HB2 2.880 . 3.960 3.148 2.600 3.894 . 0 0 "[ . 1 . 2]" 1
503 1 51 GLU HA 1 51 GLU HB2 2.660 . 3.520 2.586 2.477 2.866 . 0 0 "[ . 1 . 2]" 1
504 1 51 GLU HA 1 51 GLU HB3 2.730 . 3.660 2.900 2.353 3.024 . 0 0 "[ . 1 . 2]" 1
505 1 99 GLN HA 1 99 GLN HB3 2.960 . 4.120 2.400 2.347 2.465 . 0 0 "[ . 1 . 2]" 1
506 1 64 VAL MG2 1 99 GLN HB3 2.970 . 4.140 2.420 1.898 3.423 . 0 0 "[ . 1 . 2]" 1
507 1 64 VAL MG2 1 99 GLN HB2 3.090 . 4.380 2.955 2.230 4.381 0.001 8 0 "[ . 1 . 2]" 1
508 1 98 GLU H 1 98 GLU HB3 2.900 . 4.000 2.920 2.690 3.128 . 0 0 "[ . 1 . 2]" 1
509 1 98 GLU H 1 98 GLU HB2 2.910 . 4.020 3.032 2.756 3.240 . 0 0 "[ . 1 . 2]" 1
510 1 98 GLU HB2 1 99 GLN H 3.350 . 4.900 4.402 4.311 4.479 . 0 0 "[ . 1 . 2]" 1
511 1 63 ARG HA 1 98 GLU HB3 2.920 . 4.040 2.965 2.386 3.563 . 0 0 "[ . 1 . 2]" 1
512 1 98 GLU HA 1 98 GLU HB2 2.590 . 3.380 2.570 2.454 2.650 . 0 0 "[ . 1 . 2]" 1
513 1 75 PRO HB2 1 78 GLN H 3.310 . 4.820 2.800 2.095 3.257 . 0 0 "[ . 1 . 2]" 1
514 1 83 VAL HA 1 83 VAL HB 2.960 . 4.120 3.019 3.017 3.021 . 0 0 "[ . 1 . 2]" 1
515 1 80 HIS HA 1 83 VAL HB 3.130 . 4.460 3.565 3.103 3.834 . 0 0 "[ . 1 . 2]" 1
516 1 83 VAL HB 1 99 GLN HE22 3.280 . 4.760 3.111 2.213 4.072 . 0 0 "[ . 1 . 2]" 1
517 1 83 VAL H 1 83 VAL HB 2.640 . 3.480 2.650 2.612 2.682 . 0 0 "[ . 1 . 2]" 1
518 1 83 VAL HB 1 84 ASN H 2.790 . 3.780 2.644 2.182 2.816 . 0 0 "[ . 1 . 2]" 1
519 1 104 PRO HB3 1 105 GLU H 3.040 . 4.280 3.895 3.675 4.172 . 0 0 "[ . 1 . 2]" 1
520 1 68 SER HB2 1 70 LYS H 3.390 . 4.980 3.815 2.150 4.256 . 0 0 "[ . 1 . 2]" 1
521 1 68 SER H 1 68 SER HB2 3.180 . 4.560 3.351 3.240 3.827 . 0 0 "[ . 1 . 2]" 1
522 1 45 ALA HA 1 68 SER HB3 3.260 . 4.720 2.774 2.511 3.232 . 0 0 "[ . 1 . 2]" 1
523 1 45 ALA MB 1 68 SER HB3 3.220 . 4.640 3.288 3.054 3.754 . 0 0 "[ . 1 . 2]" 1
524 1 66 VAL MG1 1 68 SER HB3 3.100 . 4.400 4.047 3.816 4.388 . 0 0 "[ . 1 . 2]" 1
525 1 70 LYS HA 1 70 LYS HB2 2.590 . 3.380 2.553 2.442 2.649 . 0 0 "[ . 1 . 2]" 1
526 1 70 LYS HA 1 70 LYS HB3 2.780 . 3.760 3.005 2.983 3.025 . 0 0 "[ . 1 . 2]" 1
527 1 70 LYS H 1 70 LYS HB3 2.830 . 3.860 2.752 2.500 2.938 . 0 0 "[ . 1 . 2]" 1
528 1 70 LYS H 1 70 LYS HB2 2.920 . 4.040 2.324 2.176 2.536 . 0 0 "[ . 1 . 2]" 1
529 1 47 HIS H 1 47 HIS HB3 3.120 . 4.440 3.388 2.836 3.900 . 0 0 "[ . 1 . 2]" 1
530 1 99 GLN HE21 1 99 GLN HG3 2.820 . 3.840 2.843 2.119 3.555 . 0 0 "[ . 1 . 2]" 1
531 1 99 GLN HE21 1 99 GLN HG2 3.060 . 4.320 2.814 2.122 3.552 . 0 0 "[ . 1 . 2]" 1
532 1 99 GLN H 1 99 GLN HG2 3.010 . 4.220 2.599 1.993 3.918 . 0 0 "[ . 1 . 2]" 1
533 1 99 GLN HA 1 99 GLN HG3 3.360 . 4.920 3.773 2.815 4.215 . 0 0 "[ . 1 . 2]" 1
534 1 107 TRP H 1 107 TRP HB2 2.870 . 3.940 2.158 2.128 2.215 . 0 0 "[ . 1 . 2]" 1
535 1 107 TRP H 1 107 TRP HB3 2.860 . 3.920 3.012 2.972 3.049 . 0 0 "[ . 1 . 2]" 1
536 1 67 VAL MG1 1 107 TRP HB2 2.970 . 4.140 2.069 1.936 2.368 . 0 0 "[ . 1 . 2]" 1
537 1 67 VAL MG1 1 107 TRP HB3 3.030 . 4.260 2.566 2.399 2.725 . 0 0 "[ . 1 . 2]" 1
538 1 67 VAL MG1 1 104 PRO HB3 2.990 . 4.180 3.389 2.610 3.923 . 0 0 "[ . 1 . 2]" 1
539 1 106 GLN H 1 106 GLN HB2 3.110 . 4.420 2.266 2.176 2.398 . 0 0 "[ . 1 . 2]" 1
540 1 103 THR H 1 106 GLN HB2 3.300 . 4.800 2.697 2.447 3.029 . 0 0 "[ . 1 . 2]" 1
541 1 103 THR H 1 106 GLN HB3 3.160 . 4.520 3.952 3.514 4.377 . 0 0 "[ . 1 . 2]" 1
542 1 106 GLN HB3 1 107 TRP H 3.380 . 4.960 3.232 2.966 3.430 . 0 0 "[ . 1 . 2]" 1
543 1 106 GLN HA 1 106 GLN HB3 2.910 . 4.020 2.613 2.514 2.675 . 0 0 "[ . 1 . 2]" 1
544 1 102 LEU MD2 1 106 GLN HB3 2.910 . 4.020 2.615 2.210 2.958 . 0 0 "[ . 1 . 2]" 1
545 1 102 LEU MD2 1 106 GLN HB2 3.260 . 4.720 2.602 2.126 2.972 . 0 0 "[ . 1 . 2]" 1
546 1 46 GLU H 1 46 GLU QB 2.470 . 3.140 2.283 2.160 2.383 . 0 0 "[ . 1 . 2]" 1
547 1 46 GLU QB 1 47 HIS H 2.800 . 3.800 2.305 2.063 2.657 . 0 0 "[ . 1 . 2]" 1
548 1 46 GLU QB 1 67 VAL MG1 2.820 . 3.840 3.842 3.840 3.845 0.005 2 0 "[ . 1 . 2]" 1
549 1 112 ARG HB2 1 112 ARG QD 2.970 . 4.140 2.687 1.979 3.523 . 0 0 "[ . 1 . 2]" 1
550 1 93 HIS H 1 93 HIS HB2 2.920 . 4.040 2.416 2.361 2.492 . 0 0 "[ . 1 . 2]" 1
551 1 93 HIS HA 1 93 HIS HB3 2.770 . 3.740 2.506 2.463 2.538 . 0 0 "[ . 1 . 2]" 1
552 1 30 LEU MD2 1 93 HIS HB3 3.170 . 4.540 2.713 2.012 4.091 . 0 0 "[ . 1 . 2]" 1
553 1 30 LEU MD2 1 93 HIS HB2 3.230 . 4.660 2.668 1.912 4.390 . 0 0 "[ . 1 . 2]" 1
554 1 95 HIS H 1 95 HIS QB 2.510 . 3.220 2.218 2.147 2.275 . 0 0 "[ . 1 . 2]" 1
555 1 95 HIS QB 1 96 ALA H 2.690 . 3.580 2.736 2.646 2.789 . 0 0 "[ . 1 . 2]" 1
556 1 86 CYS HA 1 86 CYS HB2 2.380 . 2.960 2.715 2.494 2.971 0.011 6 0 "[ . 1 . 2]" 1
557 1 86 CYS HA 1 88 ALA H 3.390 . 4.980 4.049 3.741 4.256 . 0 0 "[ . 1 . 2]" 1
558 1 86 CYS HA 1 87 LEU H 2.910 . 4.020 3.565 3.527 3.571 . 0 0 "[ . 1 . 2]" 1
559 1 86 CYS H 1 86 CYS HA 2.510 . 3.220 2.803 2.795 2.834 . 0 0 "[ . 1 . 2]" 1
560 1 66 VAL HA 1 67 VAL H 2.340 . 2.880 2.184 2.139 2.234 . 0 0 "[ . 1 . 2]" 1
561 1 48 VAL HA 1 66 VAL HA 2.800 . 3.800 2.753 2.238 3.200 . 0 0 "[ . 1 . 2]" 1
562 1 66 VAL HA 1 66 VAL MG1 2.370 . 2.940 2.323 2.210 2.379 . 0 0 "[ . 1 . 2]" 1
563 1 48 VAL MG1 1 66 VAL HA 2.860 . 3.920 2.092 1.929 2.659 . 0 0 "[ . 1 . 2]" 1
564 1 66 VAL HA 1 67 VAL MG2 3.320 . 4.840 3.502 3.382 3.656 . 0 0 "[ . 1 . 2]" 1
565 1 94 ILE HA 1 94 ILE MD 2.820 . 3.840 2.152 1.979 2.302 . 0 0 "[ . 1 . 2]" 1
566 1 94 ILE HA 1 94 ILE HB 2.830 . 3.860 3.016 3.014 3.017 . 0 0 "[ . 1 . 2]" 1
567 1 94 ILE H 1 94 ILE HA 2.970 . 4.140 2.860 2.849 2.865 . 0 0 "[ . 1 . 2]" 1
568 1 94 ILE HA 1 95 HIS H 2.480 . 3.160 2.150 2.143 2.161 . 0 0 "[ . 1 . 2]" 1
569 1 38 LYS HD2 1 87 LEU QD 3.050 . 4.300 2.988 1.896 3.901 . 0 0 "[ . 1 . 2]" 1
570 1 38 LYS HD3 1 38 LYS HG3 2.760 . 3.720 3.003 2.971 3.019 . 0 0 "[ . 1 . 2]" 1
571 1 38 LYS HD2 1 38 LYS HE2 2.990 . 4.180 2.672 2.362 2.975 . 0 0 "[ . 1 . 2]" 1
572 1 43 LEU MD2 1 70 LYS HD3 3.350 . 4.900 4.272 3.398 4.743 . 0 0 "[ . 1 . 2]" 1
573 1 43 LEU MD2 1 70 LYS HD2 2.990 . 4.180 3.435 2.821 4.164 . 0 0 "[ . 1 . 2]" 1
574 1 70 LYS HA 1 70 LYS HD3 2.950 . 4.100 3.136 1.985 4.103 0.003 17 0 "[ . 1 . 2]" 1
575 1 70 LYS HA 1 70 LYS HD2 3.150 . 4.500 3.988 3.624 4.335 . 0 0 "[ . 1 . 2]" 1
576 1 43 LEU HA 1 70 LYS HD2 2.850 . 3.900 3.877 3.712 3.907 0.007 2 0 "[ . 1 . 2]" 1
577 1 78 GLN H 1 78 GLN HB3 2.780 . 3.760 3.164 2.529 3.526 . 0 0 "[ . 1 . 2]" 1
578 1 75 PRO HD2 1 78 GLN HB3 3.210 . 4.620 2.734 2.011 3.431 . 0 0 "[ . 1 . 2]" 1
579 1 75 PRO HD2 1 78 GLN HB2 3.160 . 4.520 2.183 1.987 2.561 . 0 0 "[ . 1 . 2]" 1
580 1 78 GLN HB2 1 78 GLN QG 2.560 . 3.320 2.292 2.129 2.517 . 0 0 "[ . 1 . 2]" 1
581 1 78 GLN HB3 1 78 GLN QG 2.570 . 3.340 2.262 2.129 2.509 . 0 0 "[ . 1 . 2]" 1
582 1 74 LYS HB3 1 78 GLN HB3 2.890 . 3.980 2.150 1.997 2.565 . 0 0 "[ . 1 . 2]" 1
583 1 74 LYS HB3 1 78 GLN HB2 2.950 . 4.100 2.713 2.117 3.595 . 0 0 "[ . 1 . 2]" 1
584 1 67 VAL MG1 1 104 PRO HG3 3.260 . 4.720 3.550 2.952 4.447 . 0 0 "[ . 1 . 2]" 1
585 1 69 ALA MB 1 104 PRO HG3 2.880 . 3.960 3.615 2.792 3.960 0.000 5 0 "[ . 1 . 2]" 1
586 1 67 VAL MG1 1 104 PRO HG2 3.290 . 4.780 4.633 4.365 4.783 0.003 7 0 "[ . 1 . 2]" 1
587 1 103 THR HA 1 104 PRO HG3 3.300 . 4.800 4.296 4.146 4.633 . 0 0 "[ . 1 . 2]" 1
588 1 65 LEU HA 1 65 LEU HG 2.920 . 4.040 3.668 3.616 3.688 . 0 0 "[ . 1 . 2]" 1
589 1 65 LEU HG 1 66 VAL H 3.120 . 4.440 4.342 4.221 4.443 0.003 5 0 "[ . 1 . 2]" 1
590 1 94 ILE H 1 94 ILE MD 3.310 . 4.820 3.120 2.932 3.203 . 0 0 "[ . 1 . 2]" 1
591 1 36 ARG HA 1 36 ARG HG3 3.230 . 4.660 2.718 2.454 2.892 . 0 0 "[ . 1 . 2]" 1
592 1 36 ARG HA 1 36 ARG HG2 3.200 . 4.600 2.736 2.492 3.347 . 0 0 "[ . 1 . 2]" 1
593 1 36 ARG HG3 1 50 VAL MG1 3.110 . 4.420 3.158 2.461 3.981 . 0 0 "[ . 1 . 2]" 1
594 1 35 LEU HA 1 35 LEU HG 3.090 . 4.380 3.195 3.121 3.294 . 0 0 "[ . 1 . 2]" 1
595 1 35 LEU H 1 35 LEU HG 2.640 . 3.480 2.039 1.990 2.184 . 0 0 "[ . 1 . 2]" 1
596 1 109 ARG H 1 109 ARG HG3 2.820 . 3.840 3.324 2.270 3.842 0.002 9 0 "[ . 1 . 2]" 1
597 1 81 ARG HG2 1 85 GLU HG3 2.990 . 4.180 3.698 2.850 4.180 . 20 0 "[ . 1 . 2]" 1
598 1 75 PRO HG2 1 78 GLN H 2.990 . 4.180 2.897 2.002 4.182 0.002 8 0 "[ . 1 . 2]" 1
599 1 58 CYS H 1 58 CYS HB3 2.980 . 4.160 3.496 2.634 4.091 . 0 0 "[ . 1 . 2]" 1
600 1 58 CYS H 1 58 CYS HB2 2.990 . 4.180 2.964 2.223 4.061 . 0 0 "[ . 1 . 2]" 1
601 1 58 CYS HA 1 58 CYS HB3 2.500 . 3.200 2.672 2.388 3.024 . 0 0 "[ . 1 . 2]" 1
602 1 58 CYS HA 1 58 CYS HB2 2.500 . 3.200 2.803 2.443 3.027 . 0 0 "[ . 1 . 2]" 1
603 1 34 TYR HA 1 34 TYR HB3 2.660 . 3.520 3.026 3.023 3.027 . 0 0 "[ . 1 . 2]" 1
604 1 90 GLU H 1 90 GLU HA 2.840 . 3.880 2.862 2.861 2.862 . 0 0 "[ . 1 . 2]" 1
605 1 90 GLU HA 1 92 PRO HD2 3.370 . 4.940 3.721 3.631 3.911 . 0 0 "[ . 1 . 2]" 1
606 1 90 GLU HA 1 90 GLU HG2 2.880 . 3.960 3.389 2.126 3.685 . 0 0 "[ . 1 . 2]" 1
607 1 90 GLU HA 1 90 GLU HG3 2.620 . 3.440 2.382 2.102 3.441 0.001 5 0 "[ . 1 . 2]" 1
608 1 90 GLU HA 1 90 GLU QB 2.670 . 3.540 2.443 2.326 2.526 . 0 0 "[ . 1 . 2]" 1
609 1 30 LEU MD1 1 90 GLU HA 3.170 . 4.540 3.779 3.134 4.540 0.000 5 0 "[ . 1 . 2]" 1
610 1 90 GLU HA 1 94 ILE QG 3.330 . 4.860 4.417 4.281 4.557 . 0 0 "[ . 1 . 2]" 1
611 1 91 LEU HA 1 91 LEU MD2 2.360 . 2.920 1.929 1.918 1.935 . 0 0 "[ . 1 . 2]" 1
612 1 91 LEU H 1 91 LEU HA 2.870 . 3.940 2.737 2.713 2.753 . 0 0 "[ . 1 . 2]" 1
613 1 105 GLU H 1 105 GLU HA 2.640 . 3.480 2.806 2.788 2.851 . 0 0 "[ . 1 . 2]" 1
614 1 81 ARG HA 1 84 ASN H 3.030 . 4.260 3.420 3.217 3.593 . 0 0 "[ . 1 . 2]" 1
615 1 81 ARG H 1 81 ARG HA 2.630 . 3.460 2.837 2.797 2.863 . 0 0 "[ . 1 . 2]" 1
616 1 81 ARG HA 1 82 LEU H 3.370 . 4.940 3.504 3.490 3.536 . 0 0 "[ . 1 . 2]" 1
617 1 81 ARG HA 1 84 ASN HD21 3.270 . 4.740 2.844 2.081 4.209 . 0 0 "[ . 1 . 2]" 1
618 1 81 ARG HA 1 84 ASN HD22 3.290 . 4.780 4.101 2.231 4.780 0.000 14 0 "[ . 1 . 2]" 1
619 1 67 VAL HA 1 67 VAL MG1 2.640 . 3.480 2.278 2.222 2.365 . 0 0 "[ . 1 . 2]" 1
620 1 67 VAL HA 1 71 PHE QD 3.330 . 4.860 4.079 3.311 4.861 0.001 15 0 "[ . 1 . 2]" 1
621 1 67 VAL HA 1 68 SER H 2.430 . 3.060 2.145 2.142 2.146 . 0 0 "[ . 1 . 2]" 1
622 1 67 VAL HA 1 102 LEU H 3.070 . 4.340 2.955 2.757 3.149 . 0 0 "[ . 1 . 2]" 1
623 1 103 THR HA 1 104 PRO HD2 2.750 . 3.700 2.703 2.401 2.866 . 0 0 "[ . 1 . 2]" 1
624 1 103 THR HA 1 103 THR MG 2.780 . 3.760 2.329 2.184 2.489 . 0 0 "[ . 1 . 2]" 1
625 1 76 LEU HA 1 79 ARG HD2 3.010 . 4.220 2.936 2.000 4.223 0.003 12 0 "[ . 1 . 2]" 1
626 1 76 LEU HA 1 79 ARG HE 2.990 . 4.180 2.717 2.009 3.245 . 0 0 "[ . 1 . 2]" 1
627 1 76 LEU HA 1 79 ARG H 3.100 . 4.400 3.573 3.288 3.902 . 0 0 "[ . 1 . 2]" 1
628 1 40 ARG H 1 40 ARG HA 2.740 . 3.680 2.796 2.785 2.841 . 0 0 "[ . 1 . 2]" 1
629 1 40 ARG HA 1 41 GLN H 2.650 . 3.500 3.537 3.509 3.548 0.048 8 0 "[ . 1 . 2]" 1
630 1 40 ARG HA 1 41 GLN HA 3.170 . 4.540 4.634 4.620 4.652 0.112 7 0 "[ . 1 . 2]" 1
631 1 36 ARG H 1 36 ARG HA 2.860 . 3.920 2.836 2.803 2.858 . 0 0 "[ . 1 . 2]" 1
632 1 107 TRP H 1 107 TRP HA 2.850 . 3.900 2.819 2.794 2.863 . 0 0 "[ . 1 . 2]" 1
633 1 107 TRP HA 1 110 GLN H 3.280 . 4.760 3.363 3.069 3.884 . 0 0 "[ . 1 . 2]" 1
634 1 107 TRP HA 1 107 TRP HB2 2.920 . 4.040 2.707 2.680 2.725 . 0 0 "[ . 1 . 2]" 1
635 1 107 TRP HA 1 107 TRP HB3 2.810 . 3.820 2.953 2.944 2.965 . 0 0 "[ . 1 . 2]" 1
636 1 95 HIS H 1 95 HIS HA 2.880 . 3.960 2.823 2.801 2.864 . 0 0 "[ . 1 . 2]" 1
637 1 95 HIS HA 1 96 ALA H 3.060 . 4.320 3.498 3.489 3.515 . 0 0 "[ . 1 . 2]" 1
638 1 95 HIS HA 1 95 HIS QB 2.420 . 3.040 2.432 2.366 2.480 . 0 0 "[ . 1 . 2]" 1
639 1 94 ILE MG 1 95 HIS HA 3.260 . 4.720 4.311 4.155 4.442 . 0 0 "[ . 1 . 2]" 1
640 1 50 VAL MG2 1 64 VAL HA 2.930 . 4.060 3.141 2.757 3.451 . 0 0 "[ . 1 . 2]" 1
641 1 50 VAL HA 1 64 VAL HA 2.640 . 3.480 2.512 1.998 2.928 . 0 0 "[ . 1 . 2]" 1
642 1 64 VAL HA 1 65 LEU H 2.290 . 2.790 2.193 2.142 2.306 . 0 0 "[ . 1 . 2]" 1
643 1 51 GLU H 1 64 VAL HA 3.050 . 4.300 3.930 3.681 4.303 0.003 8 0 "[ . 1 . 2]" 1
644 1 53 THR HA 1 54 THR H 3.180 . 4.560 2.910 2.175 3.571 . 0 0 "[ . 1 . 2]" 1
645 1 53 THR H 1 53 THR HA 2.990 . 4.180 2.912 2.792 2.948 . 0 0 "[ . 1 . 2]" 1
646 1 35 LEU HA 1 36 ARG H 3.350 . 4.900 3.498 3.489 3.535 . 0 0 "[ . 1 . 2]" 1
647 1 35 LEU HA 1 38 LYS H 3.050 . 4.300 3.644 3.543 3.754 . 0 0 "[ . 1 . 2]" 1
648 1 35 LEU H 1 35 LEU HA 2.810 . 3.820 2.834 2.803 2.862 . 0 0 "[ . 1 . 2]" 1
649 1 34 TYR QD 1 35 LEU HA 3.100 . 4.400 4.186 3.951 4.398 . 0 0 "[ . 1 . 2]" 1
650 1 35 LEU HA 1 35 LEU HB3 2.550 . 3.300 2.405 2.374 2.460 . 0 0 "[ . 1 . 2]" 1
651 1 35 LEU HA 1 35 LEU MD1 3.180 . 4.560 3.909 3.844 3.940 . 0 0 "[ . 1 . 2]" 1
652 1 77 LEU H 1 77 LEU HA 2.660 . 3.520 2.838 2.794 2.864 . 0 0 "[ . 1 . 2]" 1
653 1 77 LEU HA 1 80 HIS H 3.240 . 4.680 3.743 3.446 3.960 . 0 0 "[ . 1 . 2]" 1
654 1 77 LEU HA 1 80 HIS QB 2.790 . 3.780 3.101 2.558 3.781 0.001 13 0 "[ . 1 . 2]" 1
655 1 85 GLU H 1 85 GLU HA 2.510 . 3.220 2.807 2.783 2.830 . 0 0 "[ . 1 . 2]" 1
656 1 85 GLU HA 1 86 CYS H 3.040 . 4.280 3.521 3.491 3.572 . 0 0 "[ . 1 . 2]" 1
657 1 85 GLU HA 1 88 ALA H 3.070 . 4.340 3.912 3.694 4.147 . 0 0 "[ . 1 . 2]" 1
658 1 72 GLU HA 1 73 GLY H 3.150 . 4.500 3.512 3.490 3.557 . 0 0 "[ . 1 . 2]" 1
659 1 78 GLN H 1 78 GLN HA 2.860 . 3.920 2.850 2.809 2.863 . 0 0 "[ . 1 . 2]" 1
660 1 42 ASP H 1 42 ASP HA 2.490 . 3.180 2.805 2.783 2.839 . 0 0 "[ . 1 . 2]" 1
661 1 42 ASP HA 1 43 LEU H 2.930 . 4.060 3.565 3.557 3.572 . 0 0 "[ . 1 . 2]" 1
662 1 42 ASP HA 1 44 GLU H 3.260 . 4.720 4.302 4.183 4.394 . 0 0 "[ . 1 . 2]" 1
663 1 42 ASP HA 1 42 ASP HB3 2.530 . 3.260 2.990 2.741 3.027 . 0 0 "[ . 1 . 2]" 1
664 1 42 ASP HA 1 42 ASP HB2 2.370 . 2.940 2.580 2.471 2.939 . 0 0 "[ . 1 . 2]" 1
665 1 41 GLN QB 1 42 ASP HA 3.080 . 4.360 4.077 3.845 4.363 0.003 2 0 "[ . 1 . 2]" 1
666 1 97 PHE HA 1 97 PHE HB2 2.780 . 3.760 2.546 2.500 2.617 . 0 0 "[ . 1 . 2]" 1
667 1 97 PHE HA 1 97 PHE HB3 2.800 . 3.800 3.016 2.998 3.023 . 0 0 "[ . 1 . 2]" 1
668 1 97 PHE HA 1 97 PHE QD 2.750 . 3.700 2.970 2.595 3.139 . 0 0 "[ . 1 . 2]" 1
669 1 97 PHE HA 1 98 GLU H 2.200 . 2.700 2.196 2.136 2.244 . 0 0 "[ . 1 . 2]" 1
670 1 62 PHE H 1 97 PHE HA 2.830 . 3.860 2.976 2.731 3.502 . 0 0 "[ . 1 . 2]" 1
671 1 97 PHE H 1 97 PHE HA 2.960 . 4.120 2.947 2.941 2.949 . 0 0 "[ . 1 . 2]" 1
672 1 94 ILE MG 1 97 PHE HA 3.040 . 4.280 2.784 2.522 3.070 . 0 0 "[ . 1 . 2]" 1
673 1 61 SER HA 1 61 SER HB2 2.850 . 3.900 2.774 2.367 3.029 . 0 0 "[ . 1 . 2]" 1
674 1 61 SER HA 1 61 SER HB3 2.790 . 3.780 2.409 2.279 3.015 . 0 0 "[ . 1 . 2]" 1
675 1 61 SER HA 1 96 ALA H 2.860 . 3.920 2.691 1.996 3.223 . 0 0 "[ . 1 . 2]" 1
676 1 61 SER HA 1 62 PHE H 2.390 . 2.980 2.265 2.140 2.407 . 0 0 "[ . 1 . 2]" 1
677 1 101 THR HA 1 102 LEU H 2.500 . 3.200 2.185 2.150 2.265 . 0 0 "[ . 1 . 2]" 1
678 1 66 VAL HB 1 101 THR HA 3.250 . 4.700 3.287 3.010 3.682 . 0 0 "[ . 1 . 2]" 1
679 1 53 THR MG 1 62 PHE HA 3.020 . 4.240 4.236 4.170 4.245 0.005 20 0 "[ . 1 . 2]" 1
680 1 62 PHE HA 1 62 PHE HB3 2.890 . 3.980 2.545 2.398 2.620 . 0 0 "[ . 1 . 2]" 1
681 1 52 ASP HA 1 62 PHE HA 2.950 . 4.100 2.714 2.160 3.064 . 0 0 "[ . 1 . 2]" 1
682 1 62 PHE HA 1 62 PHE QD 2.960 . 4.120 2.711 2.443 3.220 . 0 0 "[ . 1 . 2]" 1
683 1 53 THR H 1 62 PHE HA 2.920 . 4.040 3.842 3.251 4.043 0.003 10 0 "[ . 1 . 2]" 1
684 1 62 PHE HA 1 63 ARG H 2.380 . 2.960 2.275 2.147 2.409 . 0 0 "[ . 1 . 2]" 1
685 1 47 HIS HA 1 48 VAL H 2.280 . 2.780 2.177 2.141 2.259 . 0 0 "[ . 1 . 2]" 1
686 1 47 HIS H 1 47 HIS HA 2.960 . 4.120 2.938 2.909 2.948 . 0 0 "[ . 1 . 2]" 1
687 1 47 HIS HA 1 47 HIS HB3 2.700 . 3.600 2.798 2.489 3.017 . 0 0 "[ . 1 . 2]" 1
688 1 47 HIS HA 1 47 HIS HB2 2.820 . 3.840 2.842 2.548 3.025 . 0 0 "[ . 1 . 2]" 1
689 1 31 SER HA 1 32 ALA H 2.340 . 2.880 2.343 2.187 2.599 . 0 0 "[ . 1 . 2]" 1
690 1 31 SER HA 1 33 ASP H 3.370 . 4.940 4.510 4.140 4.880 . 0 0 "[ . 1 . 2]" 1
691 1 31 SER H 1 31 SER HA 2.950 . 4.100 2.911 2.805 2.945 . 0 0 "[ . 1 . 2]" 1
692 1 31 SER HA 1 62 PHE QE 3.110 . 4.420 3.928 3.525 4.405 . 0 0 "[ . 1 . 2]" 1
693 1 45 ALA MB 1 68 SER HA 3.210 . 4.620 4.512 4.354 4.626 0.006 2 0 "[ . 1 . 2]" 1
694 1 68 SER HA 1 68 SER HB2 2.940 . 4.080 2.694 2.607 2.795 . 0 0 "[ . 1 . 2]" 1
695 1 46 GLU H 1 68 SER HA 2.860 . 3.920 3.579 3.425 3.780 . 0 0 "[ . 1 . 2]" 1
696 1 68 SER HA 1 70 LYS H 3.240 . 4.680 4.232 4.028 4.374 . 0 0 "[ . 1 . 2]" 1
697 1 68 SER HA 1 69 ALA H 2.430 . 3.060 2.565 2.390 2.705 . 0 0 "[ . 1 . 2]" 1
698 1 29 GLU HA 1 30 LEU H 1.950 . 2.450 2.237 2.138 2.373 . 0 0 "[ . 1 . 2]" 1
699 1 29 GLU H 1 29 GLU HA 2.650 . 3.500 2.702 2.272 2.948 . 0 0 "[ . 1 . 2]" 1
700 1 84 ASN HA 1 91 LEU MD1 2.260 . 2.760 2.368 1.829 2.666 . 0 0 "[ . 1 . 2]" 1
701 1 84 ASN HA 1 91 LEU MD2 3.360 . 4.920 4.017 3.613 4.438 . 0 0 "[ . 1 . 2]" 1
702 1 84 ASN H 1 84 ASN HA 2.590 . 3.380 2.839 2.818 2.863 . 0 0 "[ . 1 . 2]" 1
703 1 32 ALA H 1 32 ALA HA 2.790 . 3.780 2.817 2.793 2.862 . 0 0 "[ . 1 . 2]" 1
704 1 32 ALA HA 1 35 LEU H 3.260 . 4.720 3.754 3.512 3.970 . 0 0 "[ . 1 . 2]" 1
705 1 32 ALA HA 1 35 LEU MD1 2.970 . 4.140 3.340 2.758 3.619 . 0 0 "[ . 1 . 2]" 1
706 1 110 GLN H 1 110 GLN HA 2.400 . 3.000 2.917 2.825 2.948 . 0 0 "[ . 1 . 2]" 1
707 1 110 GLN HA 1 110 GLN QG 2.720 . 3.640 2.222 2.044 2.620 . 0 0 "[ . 1 . 2]" 1
708 1 88 ALA HA 1 91 LEU MD1 2.740 . 3.680 2.586 2.246 2.866 . 0 0 "[ . 1 . 2]" 1
709 1 88 ALA H 1 88 ALA HA 2.340 . 2.880 2.816 2.802 2.849 . 0 0 "[ . 1 . 2]" 1
710 1 111 ARG HA 1 112 ARG H 2.340 . 2.880 2.716 2.337 2.883 0.003 7 0 "[ . 1 . 2]" 1
711 1 88 ALA HA 1 89 GLU H 2.940 . 4.080 3.544 3.496 3.568 . 0 0 "[ . 1 . 2]" 1
712 1 57 ARG HA 1 58 CYS H 2.880 . 3.960 2.815 2.184 3.571 . 0 0 "[ . 1 . 2]" 1
713 1 43 LEU H 1 43 LEU HA 2.730 . 3.660 2.888 2.826 2.946 . 0 0 "[ . 1 . 2]" 1
714 1 45 ALA HA 1 46 GLU H 2.440 . 3.080 2.516 2.311 2.644 . 0 0 "[ . 1 . 2]" 1
715 1 45 ALA HA 1 47 HIS H 3.350 . 4.900 4.814 4.297 4.901 0.001 10 0 "[ . 1 . 2]" 1
716 1 99 GLN HA 1 100 LYS H 2.360 . 2.920 2.231 2.139 2.348 . 0 0 "[ . 1 . 2]" 1
717 1 87 LEU HA 1 90 GLU H 3.310 . 4.820 3.192 3.092 3.404 . 0 0 "[ . 1 . 2]" 1
718 1 87 LEU H 1 87 LEU HA 2.860 . 3.920 2.932 2.923 2.943 . 0 0 "[ . 1 . 2]" 1
719 1 87 LEU HA 1 88 ALA H 2.890 . 3.980 2.770 2.622 2.976 . 0 0 "[ . 1 . 2]" 1
720 1 87 LEU HA 1 87 LEU QD 2.240 . 2.740 2.393 1.907 2.573 . 0 0 "[ . 1 . 2]" 1
721 1 102 LEU HA 1 102 LEU MD2 2.500 . 3.200 1.975 1.934 2.115 . 0 0 "[ . 1 . 2]" 1
722 1 102 LEU HA 1 102 LEU HB3 2.920 . 4.040 2.752 2.677 2.829 . 0 0 "[ . 1 . 2]" 1
723 1 102 LEU HA 1 103 THR H 2.550 . 3.300 2.403 2.244 2.595 . 0 0 "[ . 1 . 2]" 1
724 1 65 LEU HA 1 66 VAL H 2.380 . 2.960 2.202 2.170 2.295 . 0 0 "[ . 1 . 2]" 1
725 1 65 LEU HA 1 100 LYS H 2.990 . 4.180 3.084 2.670 3.684 . 0 0 "[ . 1 . 2]" 1
726 1 96 ALA HA 1 97 PHE H 2.160 . 2.660 2.141 2.140 2.143 . 0 0 "[ . 1 . 2]" 1
727 1 96 ALA H 1 96 ALA HA 2.810 . 3.820 2.901 2.890 2.910 . 0 0 "[ . 1 . 2]" 1
728 1 74 LYS HA 1 75 PRO HD3 2.460 . 3.120 2.287 1.975 2.460 . 0 0 "[ . 1 . 2]" 1
729 1 74 LYS HA 1 75 PRO HD2 2.540 . 3.280 2.574 2.365 2.944 . 0 0 "[ . 1 . 2]" 1
730 1 75 PRO HD3 1 78 GLN QG 3.010 . 4.220 3.713 3.111 4.221 0.001 3 0 "[ . 1 . 2]" 1
731 1 75 PRO HD2 1 78 GLN QG 3.050 . 4.300 2.356 1.978 2.898 . 0 0 "[ . 1 . 2]" 1
732 1 74 LYS HB3 1 75 PRO HD2 3.060 . 4.320 2.066 1.976 2.451 . 0 0 "[ . 1 . 2]" 1
733 1 74 LYS HB3 1 75 PRO HD3 2.970 . 4.140 3.353 2.922 3.501 . 0 0 "[ . 1 . 2]" 1
734 1 91 LEU HB3 1 92 PRO HD3 3.120 . 4.440 2.319 2.206 2.485 . 0 0 "[ . 1 . 2]" 1
735 1 91 LEU HB2 1 92 PRO HD3 2.840 . 3.880 2.029 1.983 2.499 . 0 0 "[ . 1 . 2]" 1
736 1 103 THR MG 1 104 PRO HD2 3.280 . 4.760 3.304 2.326 3.869 . 0 0 "[ . 1 . 2]" 1
737 1 103 THR MG 1 104 PRO HD3 3.390 . 4.980 3.626 3.038 4.109 . 0 0 "[ . 1 . 2]" 1
738 1 103 THR HA 1 104 PRO HD3 2.550 . 3.300 2.139 1.978 2.454 . 0 0 "[ . 1 . 2]" 1
739 1 103 THR HB 1 104 PRO HD2 2.550 . 3.300 2.197 1.985 2.460 . 0 0 "[ . 1 . 2]" 1
740 1 102 LEU H 1 102 LEU HG 3.060 . 4.320 4.105 3.838 4.322 0.002 13 0 "[ . 1 . 2]" 1
741 1 102 LEU HA 1 102 LEU HG 3.260 . 4.720 2.725 2.592 2.838 . 0 0 "[ . 1 . 2]" 1
742 1 77 LEU H 1 77 LEU HG 2.680 . 3.560 2.296 1.996 2.812 . 0 0 "[ . 1 . 2]" 1
743 1 77 LEU HA 1 77 LEU HG 2.860 . 3.920 3.640 3.623 3.649 . 0 0 "[ . 1 . 2]" 1
744 1 76 LEU HA 1 76 LEU HG 3.240 . 4.680 2.585 2.239 3.670 . 0 0 "[ . 1 . 2]" 1
745 1 43 LEU MD2 1 82 LEU HG 3.180 . 4.560 4.255 3.907 4.560 . 8 0 "[ . 1 . 2]" 1
746 1 55 LEU H 1 55 LEU HG 2.840 . 3.880 3.096 2.240 3.887 0.007 18 0 "[ . 1 . 2]" 1
747 1 87 LEU HA 1 87 LEU MD1 3.310 . 4.820 3.798 2.036 4.000 . 0 0 "[ . 1 . 2]" 1
748 1 87 LEU MD1 1 91 LEU MD2 3.120 . 4.440 3.832 3.562 4.442 0.002 20 0 "[ . 1 . 2]" 1
749 1 87 LEU MD1 1 97 PHE HZ 2.680 . 3.560 2.689 2.108 3.563 0.003 20 0 "[ . 1 . 2]" 1
750 1 87 LEU MD1 1 97 PHE QE 2.830 . 3.860 2.580 2.206 3.123 . 0 0 "[ . 1 . 2]" 1
751 1 87 LEU H 1 87 LEU MD1 3.200 . 4.600 3.562 3.341 4.310 . 0 0 "[ . 1 . 2]" 1
752 1 91 LEU H 1 91 LEU HG 2.760 . 3.720 3.070 3.012 3.243 . 0 0 "[ . 1 . 2]" 1
753 1 91 LEU HA 1 91 LEU HG 3.040 . 4.280 2.745 2.714 2.766 . 0 0 "[ . 1 . 2]" 1
754 1 40 ARG HA 1 40 ARG HG2 2.920 . 4.040 2.589 2.141 3.098 . 0 0 "[ . 1 . 2]" 1
755 1 40 ARG HA 1 40 ARG HG3 2.930 . 4.060 2.924 2.446 3.478 . 0 0 "[ . 1 . 2]" 1
756 1 40 ARG QD 1 40 ARG HG2 2.550 . 3.300 2.377 2.162 2.521 . 0 0 "[ . 1 . 2]" 1
757 1 40 ARG HG2 1 48 VAL MG1 3.160 . 4.520 3.194 2.111 4.059 . 0 0 "[ . 1 . 2]" 1
758 1 40 ARG H 1 40 ARG HG2 3.310 . 4.820 4.433 4.163 4.536 . 0 0 "[ . 1 . 2]" 1
759 1 30 LEU H 1 30 LEU HG 2.770 . 3.740 3.738 3.639 3.748 0.008 7 0 "[ . 1 . 2]" 1
760 1 81 ARG H 1 81 ARG HG2 3.110 . 4.420 4.290 3.984 4.425 0.005 13 0 "[ . 1 . 2]" 1
761 1 102 LEU MD1 1 107 TRP H 3.370 . 4.940 4.031 3.838 4.260 . 0 0 "[ . 1 . 2]" 1
762 1 102 LEU MD1 1 107 TRP HE3 2.760 . 3.720 1.965 1.951 2.015 . 0 0 "[ . 1 . 2]" 1
763 1 102 LEU MD1 1 107 TRP HA 2.700 . 3.600 3.599 3.546 3.604 0.004 8 0 "[ . 1 . 2]" 1
764 1 65 LEU MD1 1 67 VAL MG2 2.340 . 2.880 2.023 1.801 2.745 . 0 0 "[ . 1 . 2]" 1
765 1 65 LEU MD1 1 107 TRP HE3 3.260 . 4.720 4.144 3.862 4.589 . 0 0 "[ . 1 . 2]" 1
766 1 65 LEU MD1 1 107 TRP HE1 3.160 . 4.520 4.182 3.821 4.482 . 0 0 "[ . 1 . 2]" 1
767 1 74 LYS QE 1 74 LYS HG3 2.930 . 4.060 2.567 1.994 3.337 . 0 0 "[ . 1 . 2]" 1
768 1 74 LYS QE 1 74 LYS HG2 2.820 . 3.840 2.527 2.002 3.262 . 0 0 "[ . 1 . 2]" 1
769 1 74 LYS HA 1 74 LYS HG3 3.110 . 4.420 3.076 2.394 3.752 . 0 0 "[ . 1 . 2]" 1
770 1 74 LYS HA 1 74 LYS HG2 2.910 . 4.020 2.667 2.224 3.678 . 0 0 "[ . 1 . 2]" 1
771 1 100 LYS HG3 1 101 THR H 3.300 . 4.800 3.517 2.098 4.801 0.001 4 0 "[ . 1 . 2]" 1
772 1 100 LYS HG2 1 101 THR H 3.390 . 4.980 3.858 2.936 4.978 . 0 0 "[ . 1 . 2]" 1
773 1 100 LYS HA 1 100 LYS HG3 2.920 . 4.040 2.496 2.110 3.499 . 0 0 "[ . 1 . 2]" 1
774 1 100 LYS HA 1 100 LYS HG2 2.980 . 4.160 3.111 2.133 3.741 . 0 0 "[ . 1 . 2]" 1
775 1 100 LYS QE 1 100 LYS HG2 2.870 . 3.940 2.539 1.996 3.356 . 0 0 "[ . 1 . 2]" 1
776 1 100 LYS QE 1 100 LYS HG3 2.860 . 3.920 2.618 2.010 3.296 . 0 0 "[ . 1 . 2]" 1
777 1 83 VAL HA 1 83 VAL MG2 2.320 . 2.840 2.436 2.379 2.508 . 0 0 "[ . 1 . 2]" 1
778 1 80 HIS HA 1 83 VAL MG2 3.010 . 4.220 2.962 2.207 3.438 . 0 0 "[ . 1 . 2]" 1
779 1 71 PHE HZ 1 83 VAL MG2 2.480 . 3.160 2.802 2.128 3.162 0.002 2 0 "[ . 1 . 2]" 1
780 1 83 VAL H 1 83 VAL MG2 2.330 . 2.860 2.032 1.953 2.178 . 0 0 "[ . 1 . 2]" 1
781 1 83 VAL MG2 1 84 ASN H 2.940 . 4.080 3.722 3.557 3.808 . 0 0 "[ . 1 . 2]" 1
782 1 103 THR H 1 103 THR MG 2.950 . 4.100 2.557 2.138 3.146 . 0 0 "[ . 1 . 2]" 1
783 1 72 GLU HA 1 103 THR MG 2.790 . 3.780 3.659 3.222 3.783 0.003 1 0 "[ . 1 . 2]" 1
784 1 45 ALA MB 1 67 VAL H 2.960 . 4.120 2.721 2.506 3.119 . 0 0 "[ . 1 . 2]" 1
785 1 45 ALA H 1 45 ALA MB 2.220 . 2.720 2.219 2.093 2.441 . 0 0 "[ . 1 . 2]" 1
786 1 45 ALA MB 1 47 HIS H 2.560 . 3.320 3.048 2.742 3.315 . 0 0 "[ . 1 . 2]" 1
787 1 40 ARG HA 1 45 ALA MB 2.220 . 2.720 2.708 2.407 2.725 0.005 2 0 "[ . 1 . 2]" 1
788 1 83 VAL MG1 1 84 ASN H 2.780 . 3.760 3.655 3.335 3.761 0.001 9 0 "[ . 1 . 2]" 1
789 1 36 ARG H 1 50 VAL MG1 2.860 . 3.920 3.742 3.543 3.923 0.003 18 0 "[ . 1 . 2]" 1
790 1 64 VAL MG2 1 100 LYS H 2.790 . 3.780 3.197 2.510 3.782 0.002 19 0 "[ . 1 . 2]" 1
791 1 83 VAL MG1 1 97 PHE QE 2.520 . 3.240 2.611 1.987 3.116 . 0 0 "[ . 1 . 2]" 1
792 1 64 VAL MG2 1 97 PHE QE 2.740 . 3.680 2.260 1.853 2.899 . 0 0 "[ . 1 . 2]" 1
793 1 83 VAL MG1 1 97 PHE HZ 2.620 . 3.440 3.225 2.773 3.442 0.002 18 0 "[ . 1 . 2]" 1
794 1 64 VAL MG2 1 97 PHE HZ 2.750 . 3.700 2.092 1.875 2.749 . 0 0 "[ . 1 . 2]" 1
795 1 83 VAL MG1 1 99 GLN HE22 2.990 . 4.180 3.642 2.365 4.181 0.001 13 0 "[ . 1 . 2]" 1
796 1 83 VAL HA 1 83 VAL MG1 2.390 . 2.980 2.330 2.207 2.393 . 0 0 "[ . 1 . 2]" 1
797 1 91 LEU MD2 1 94 ILE MG 2.900 . 4.000 3.515 3.307 3.715 . 0 0 "[ . 1 . 2]" 1
798 1 94 ILE QG 1 94 ILE MG 2.200 . 2.700 2.319 2.240 2.383 . 0 0 "[ . 1 . 2]" 1
799 1 94 ILE MG 1 97 PHE HB2 2.610 . 3.420 2.005 1.951 2.111 . 0 0 "[ . 1 . 2]" 1
800 1 94 ILE MG 1 97 PHE HB3 2.660 . 3.520 3.521 3.471 3.528 0.008 17 0 "[ . 1 . 2]" 1
801 1 94 ILE HA 1 94 ILE MG 2.460 . 3.120 2.275 2.186 2.375 . 0 0 "[ . 1 . 2]" 1
802 1 61 SER HA 1 94 ILE MG 2.640 . 3.480 3.012 1.960 3.481 0.001 16 0 "[ . 1 . 2]" 1
803 1 62 PHE QD 1 94 ILE MG 2.460 . 3.120 2.175 1.904 2.579 . 0 0 "[ . 1 . 2]" 1
804 1 94 ILE MG 1 97 PHE QD 2.580 . 3.360 2.208 1.862 2.663 . 0 0 "[ . 1 . 2]" 1
805 1 94 ILE MG 1 96 ALA H 2.550 . 3.300 2.053 1.956 2.256 . 0 0 "[ . 1 . 2]" 1
806 1 62 PHE H 1 94 ILE MG 2.590 . 3.380 3.060 2.377 3.381 0.001 11 0 "[ . 1 . 2]" 1
807 1 94 ILE MG 1 97 PHE H 3.290 . 4.780 3.311 3.156 3.439 . 0 0 "[ . 1 . 2]" 1
808 1 94 ILE MG 1 95 HIS H 2.670 . 3.540 2.714 2.331 2.924 . 0 0 "[ . 1 . 2]" 1
809 1 88 ALA MB 1 89 GLU H 2.280 . 2.780 2.516 2.265 2.767 . 0 0 "[ . 1 . 2]" 1
810 1 88 ALA MB 1 90 GLU H 3.300 . 4.800 4.465 4.235 4.799 . 0 0 "[ . 1 . 2]" 1
811 1 87 LEU H 1 88 ALA MB 3.140 . 4.480 4.377 4.187 4.482 0.002 15 0 "[ . 1 . 2]" 1
812 1 88 ALA MB 1 91 LEU MD1 3.040 . 4.280 3.777 3.444 4.064 . 0 0 "[ . 1 . 2]" 1
813 1 67 VAL H 1 67 VAL MG2 2.580 . 3.360 2.833 2.691 2.957 . 0 0 "[ . 1 . 2]" 1
814 1 67 VAL HA 1 67 VAL MG2 2.590 . 3.380 2.400 2.372 2.482 . 0 0 "[ . 1 . 2]" 1
815 1 67 VAL MG2 1 107 TRP HB3 2.720 . 3.640 3.617 3.245 3.642 0.002 1 0 "[ . 1 . 2]" 1
816 1 67 VAL MG2 1 107 TRP HB2 2.940 . 4.080 3.027 2.900 3.176 . 0 0 "[ . 1 . 2]" 1
817 1 32 ALA H 1 32 ALA MB 2.180 . 2.680 2.120 2.036 2.232 . 0 0 "[ . 1 . 2]" 1
818 1 32 ALA MB 1 33 ASP H 2.380 . 2.960 2.494 2.224 2.726 . 0 0 "[ . 1 . 2]" 1
819 1 32 ALA MB 1 62 PHE QD 2.450 . 3.100 2.761 2.180 3.099 . 0 0 "[ . 1 . 2]" 1
820 1 32 ALA MB 1 52 ASP HB3 2.900 . 4.000 3.593 2.952 4.002 0.002 14 0 "[ . 1 . 2]" 1
821 1 32 ALA MB 1 50 VAL MG1 2.760 . 3.720 1.965 1.862 2.245 . 0 0 "[ . 1 . 2]" 1
822 1 32 ALA MB 1 35 LEU MD1 3.300 . 4.800 4.424 3.936 4.650 . 0 0 "[ . 1 . 2]" 1
823 1 69 ALA H 1 69 ALA MB 2.110 . 2.610 2.239 2.154 2.340 . 0 0 "[ . 1 . 2]" 1
824 1 96 ALA MB 1 97 PHE H 2.530 . 3.260 3.266 3.262 3.274 0.014 20 0 "[ . 1 . 2]" 1
825 1 62 PHE H 1 96 ALA MB 3.170 . 4.540 3.574 2.989 4.298 . 0 0 "[ . 1 . 2]" 1
826 1 96 ALA H 1 96 ALA MB 2.420 . 3.040 2.700 2.618 2.742 . 0 0 "[ . 1 . 2]" 1
827 1 61 SER HA 1 96 ALA MB 2.880 . 3.960 2.502 1.928 3.532 . 0 0 "[ . 1 . 2]" 1
828 1 61 SER HB3 1 96 ALA MB 2.530 . 3.260 2.117 1.947 3.262 0.002 8 0 "[ . 1 . 2]" 1
829 1 61 SER HB2 1 96 ALA MB 2.630 . 3.460 3.018 1.881 3.462 0.002 5 0 "[ . 1 . 2]" 1
830 1 95 HIS QB 1 96 ALA MB 2.880 . 3.960 3.298 3.210 3.447 . 0 0 "[ . 1 . 2]" 1
831 1 41 GLN HA 1 44 GLU H 2.900 . 4.000 3.415 3.091 3.776 . 0 0 "[ . 1 . 2]" 1
832 1 74 LYS QE 1 82 LEU MD2 2.910 . 4.020 3.454 2.782 3.982 . 0 0 "[ . 1 . 2]" 1
833 1 36 ARG HA 1 39 LEU MD1 3.010 . 4.220 3.335 2.970 3.710 . 0 0 "[ . 1 . 2]" 1
834 1 39 LEU HA 1 39 LEU MD1 3.150 . 4.500 3.896 3.799 3.965 . 0 0 "[ . 1 . 2]" 1
835 1 39 LEU H 1 39 LEU MD1 2.990 . 4.180 3.429 3.090 3.812 . 0 0 "[ . 1 . 2]" 1
836 1 39 LEU MD2 1 83 VAL HA 2.840 . 3.880 2.382 2.032 2.707 . 0 0 "[ . 1 . 2]" 1
837 1 39 LEU HA 1 39 LEU MD2 2.200 . 2.700 2.206 1.985 2.660 . 0 0 "[ . 1 . 2]" 1
838 1 39 LEU MD2 1 87 LEU H 3.330 . 4.860 3.665 3.352 4.165 . 0 0 "[ . 1 . 2]" 1
839 1 39 LEU H 1 39 LEU HG 2.840 . 3.880 2.210 1.997 2.630 . 0 0 "[ . 1 . 2]" 1
840 1 35 LEU MD1 1 64 VAL MG1 3.200 . 4.600 2.989 2.583 3.383 . 0 0 "[ . 1 . 2]" 1
841 1 64 VAL HA 1 64 VAL MG1 2.380 . 2.960 2.269 2.135 2.363 . 0 0 "[ . 1 . 2]" 1
842 1 51 GLU H 1 64 VAL MG1 3.210 . 4.620 4.023 3.336 4.620 0.000 18 0 "[ . 1 . 2]" 1
843 1 64 VAL H 1 64 VAL MG2 2.510 . 3.220 2.080 1.945 2.261 . 0 0 "[ . 1 . 2]" 1
844 1 71 PHE QD 1 79 ARG HA 3.090 . 4.380 2.848 2.293 3.597 . 0 0 "[ . 1 . 2]" 1
845 1 71 PHE QE 1 79 ARG HA 3.280 . 4.760 2.914 2.019 4.378 . 0 0 "[ . 1 . 2]" 1
846 1 35 LEU MD2 1 97 PHE QE 2.570 . 3.340 3.333 3.188 3.345 0.005 20 0 "[ . 1 . 2]" 1
847 1 34 TYR QD 1 35 LEU MD2 2.620 . 3.440 2.554 2.008 2.822 . 0 0 "[ . 1 . 2]" 1
848 1 34 TYR HA 1 34 TYR QD 2.560 . 3.320 2.228 2.139 2.402 . 0 0 "[ . 1 . 2]" 1
849 1 50 VAL MG2 1 62 PHE QD 2.540 . 3.280 3.237 2.966 3.282 0.002 18 0 "[ . 1 . 2]" 1
850 1 71 PHE HA 1 71 PHE QD 2.570 . 3.340 2.151 1.988 2.864 . 0 0 "[ . 1 . 2]" 1
851 1 107 TRP HA 1 107 TRP HE3 2.560 . 3.320 3.339 3.334 3.344 0.024 6 0 "[ . 1 . 2]" 1
852 1 90 GLU HA 1 93 HIS HD2 2.390 . 2.980 2.636 2.002 2.976 . 0 0 "[ . 1 . 2]" 1
853 1 92 PRO HD2 1 93 HIS HD2 2.640 . 3.480 3.397 3.133 3.485 0.005 8 0 "[ . 1 . 2]" 1
854 1 80 HIS HD2 1 101 THR MG 2.250 . 2.750 2.706 2.308 2.752 0.002 9 0 "[ . 1 . 2]" 1
855 1 34 TYR QD 1 35 LEU HG 2.810 . 3.820 3.379 3.053 3.621 . 0 0 "[ . 1 . 2]" 1
856 1 30 LEU MD1 1 34 TYR QD 3.060 . 4.320 3.679 2.371 4.321 0.001 2 0 "[ . 1 . 2]" 1
857 1 71 PHE QE 1 82 LEU HB2 3.320 . 4.840 3.228 2.093 4.141 . 0 0 "[ . 1 . 2]" 1
858 1 66 VAL HB 1 71 PHE QE 2.840 . 3.880 2.146 1.985 3.193 . 0 0 "[ . 1 . 2]" 1
859 1 71 PHE QE 1 82 LEU HB3 3.200 . 4.600 3.707 2.621 4.581 . 0 0 "[ . 1 . 2]" 1
860 1 91 LEU MD2 1 97 PHE QD 3.390 . 4.980 2.910 2.541 3.235 . 0 0 "[ . 1 . 2]" 1
861 1 62 PHE QD 1 94 ILE QG 2.940 . 4.080 3.970 3.694 4.083 0.003 20 0 "[ . 1 . 2]" 1
862 1 52 ASP HA 1 62 PHE QD 2.990 . 4.180 3.052 2.537 3.424 . 0 0 "[ . 1 . 2]" 1
863 1 66 VAL HB 1 71 PHE HZ 3.040 . 4.280 3.490 2.260 4.280 . 19 0 "[ . 1 . 2]" 1
864 1 71 PHE HZ 1 101 THR MG 3.030 . 4.260 2.827 2.228 3.397 . 0 0 "[ . 1 . 2]" 1
865 1 87 LEU QD 1 97 PHE HZ 2.800 . 3.800 2.655 2.106 3.352 . 0 0 "[ . 1 . 2]" 1
866 1 62 PHE QD 1 94 ILE MD 3.060 . 4.320 2.241 1.992 2.841 . 0 0 "[ . 1 . 2]" 1
867 1 87 LEU QD 1 97 PHE QE 3.120 . 4.440 2.564 2.200 3.069 . 0 0 "[ . 1 . 2]" 1
868 1 107 TRP HA 1 107 TRP HD1 2.780 . 3.760 3.794 3.787 3.803 0.043 7 0 "[ . 1 . 2]" 1
869 1 107 TRP HB2 1 107 TRP HD1 2.870 . 3.940 3.794 3.788 3.801 . 0 0 "[ . 1 . 2]" 1
870 1 107 TRP HB3 1 107 TRP HD1 3.060 . 4.320 2.641 2.634 2.651 . 0 0 "[ . 1 . 2]" 1
871 1 67 VAL MG1 1 107 TRP HD1 2.940 . 4.080 4.074 3.926 4.085 0.005 7 0 "[ . 1 . 2]" 1
872 1 67 VAL MG2 1 107 TRP HD1 3.110 . 4.420 3.889 3.580 3.993 . 0 0 "[ . 1 . 2]" 1
873 1 65 LEU MD1 1 107 TRP HH2 3.290 . 4.780 2.615 1.924 3.119 . 0 0 "[ . 1 . 2]" 1
874 1 93 HIS H 1 93 HIS HD2 2.770 . 3.740 2.364 2.092 2.588 . 0 0 "[ . 1 . 2]" 1
875 1 79 ARG HB2 1 80 HIS HD2 3.100 . 4.400 3.530 2.354 4.188 . 0 0 "[ . 1 . 2]" 1
876 1 80 HIS H 1 80 HIS HD2 2.630 . 3.460 3.102 2.334 3.462 0.002 5 0 "[ . 1 . 2]" 1
877 1 34 TYR QE 1 90 GLU HG2 2.830 . 3.860 2.852 2.293 3.862 0.002 5 0 "[ . 1 . 2]" 1
878 1 34 TYR QE 1 90 GLU HG3 2.900 . 4.000 3.865 2.360 4.002 0.002 16 0 "[ . 1 . 2]" 1
879 1 30 LEU MD1 1 34 TYR QE 2.990 . 4.180 3.844 3.071 4.169 . 0 0 "[ . 1 . 2]" 1
880 1 34 TYR QE 1 35 LEU MD2 2.760 . 3.720 3.492 3.276 3.715 . 0 0 "[ . 1 . 2]" 1
881 1 65 LEU MD1 1 107 TRP HZ3 3.040 . 4.280 3.315 3.055 3.616 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 93
_Distance_constraint_stats_list.Viol_total 2.618
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0014
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 31 SER 0.003 0.002 14 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.003 0.002 14 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 HIS 0.005 0.001 2 0 "[ . 1 . 2]"
1 49 GLU 0.003 0.002 5 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 0.009 0.002 9 0 "[ . 1 . 2]"
1 63 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.035 0.005 19 0 "[ . 1 . 2]"
1 65 LEU 0.003 0.002 5 0 "[ . 1 . 2]"
1 66 VAL 0.029 0.004 5 0 "[ . 1 . 2]"
1 67 VAL 0.005 0.001 2 0 "[ . 1 . 2]"
1 68 SER 0.024 0.003 16 0 "[ . 1 . 2]"
1 75 PRO 0.001 0.001 8 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 0.004 0.002 11 0 "[ . 1 . 2]"
1 80 HIS 0.005 0.002 11 0 "[ . 1 . 2]"
1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LEU 0.002 0.002 18 0 "[ . 1 . 2]"
1 83 VAL 0.014 0.002 13 0 "[ . 1 . 2]"
1 84 ASN 0.005 0.002 11 0 "[ . 1 . 2]"
1 85 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 CYS 0.002 0.002 18 0 "[ . 1 . 2]"
1 87 LEU 0.011 0.002 13 0 "[ . 1 . 2]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 0.010 0.002 9 0 "[ . 1 . 2]"
1 100 LYS 0.036 0.005 19 0 "[ . 1 . 2]"
1 102 LEU 0.051 0.004 5 0 "[ . 1 . 2]"
1 103 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 31 SER O 1 35 LEU N 3.300 2.500 3.500 3.304 2.991 3.468 . 0 0 "[ . 1 . 2]" 2
2 1 31 SER O 1 35 LEU H 2.300 . 2.500 2.352 2.014 2.502 0.002 14 0 "[ . 1 . 2]" 2
3 1 32 ALA O 1 36 ARG N 3.300 2.500 3.500 3.019 2.866 3.185 . 0 0 "[ . 1 . 2]" 2
4 1 32 ALA O 1 36 ARG H 2.300 . 2.500 2.132 1.975 2.355 . 0 0 "[ . 1 . 2]" 2
5 1 33 ASP O 1 37 GLU N 3.300 2.500 3.500 2.772 2.637 2.915 . 0 0 "[ . 1 . 2]" 2
6 1 33 ASP O 1 37 GLU H 2.300 . 2.500 1.809 1.684 1.959 . 0 0 "[ . 1 . 2]" 2
7 1 34 TYR O 1 38 LYS N 3.300 2.500 3.500 2.996 2.789 3.246 . 0 0 "[ . 1 . 2]" 2
8 1 34 TYR O 1 38 LYS H 2.300 . 2.500 2.132 1.925 2.328 . 0 0 "[ . 1 . 2]" 2
9 1 35 LEU O 1 39 LEU N 3.300 2.500 3.500 3.098 2.858 3.310 . 0 0 "[ . 1 . 2]" 2
10 1 35 LEU O 1 39 LEU H 2.300 . 2.500 2.139 1.886 2.332 . 0 0 "[ . 1 . 2]" 2
11 1 36 ARG O 1 40 ARG N 3.300 2.500 3.500 2.846 2.643 3.044 . 0 0 "[ . 1 . 2]" 2
12 1 36 ARG O 1 40 ARG H 2.300 . 2.500 1.945 1.709 2.168 . 0 0 "[ . 1 . 2]" 2
13 1 37 GLU O 1 41 GLN N 3.300 2.500 3.500 2.978 2.650 3.296 . 0 0 "[ . 1 . 2]" 2
14 1 37 GLU O 1 41 GLN H 2.300 . 2.500 2.035 1.733 2.340 . 0 0 "[ . 1 . 2]" 2
15 1 39 LEU O 1 43 LEU N 3.300 2.500 3.500 2.761 2.592 3.029 . 0 0 "[ . 1 . 2]" 2
16 1 39 LEU O 1 43 LEU H 2.300 . 2.500 1.849 1.704 2.085 . 0 0 "[ . 1 . 2]" 2
17 1 49 GLU N 1 65 LEU O 3.300 2.500 3.500 3.153 2.821 3.401 . 0 0 "[ . 1 . 2]" 2
18 1 49 GLU H 1 65 LEU O 2.300 . 2.500 2.260 1.854 2.502 0.002 5 0 "[ . 1 . 2]" 2
19 1 51 GLU N 1 63 ARG O 3.300 2.500 3.500 2.913 2.674 3.251 . 0 0 "[ . 1 . 2]" 2
20 1 51 GLU H 1 63 ARG O 2.300 . 2.500 2.083 1.832 2.462 . 0 0 "[ . 1 . 2]" 2
21 1 62 PHE N 1 96 ALA O 3.300 2.500 3.500 2.865 2.594 3.355 . 0 0 "[ . 1 . 2]" 2
22 1 62 PHE H 1 96 ALA O 2.300 . 2.500 1.973 1.683 2.425 . 0 0 "[ . 1 . 2]" 2
23 1 51 GLU O 1 63 ARG N 3.300 2.500 3.500 3.233 2.939 3.456 . 0 0 "[ . 1 . 2]" 2
24 1 51 GLU O 1 63 ARG H 2.300 . 2.500 2.301 2.063 2.499 . 0 0 "[ . 1 . 2]" 2
25 1 64 VAL N 1 98 GLU O 3.300 2.500 3.500 3.027 2.661 3.324 . 0 0 "[ . 1 . 2]" 2
26 1 64 VAL H 1 98 GLU O 2.300 . 2.500 2.092 1.685 2.501 0.001 2 0 "[ . 1 . 2]" 2
27 1 49 GLU O 1 65 LEU N 3.300 2.500 3.500 2.797 2.595 3.042 . 0 0 "[ . 1 . 2]" 2
28 1 49 GLU O 1 65 LEU H 2.300 . 2.500 2.077 1.773 2.434 . 0 0 "[ . 1 . 2]" 2
29 1 66 VAL N 1 100 LYS O 3.300 2.500 3.500 3.272 2.944 3.458 . 0 0 "[ . 1 . 2]" 2
30 1 66 VAL H 1 100 LYS O 2.300 . 2.500 2.354 2.010 2.501 0.001 1 0 "[ . 1 . 2]" 2
31 1 47 HIS O 1 67 VAL N 3.300 2.500 3.500 3.150 2.662 3.367 . 0 0 "[ . 1 . 2]" 2
32 1 47 HIS O 1 67 VAL H 2.300 . 2.500 2.390 1.862 2.501 0.001 2 0 "[ . 1 . 2]" 2
33 1 68 SER N 1 102 LEU O 3.300 2.500 3.500 3.386 3.306 3.455 . 0 0 "[ . 1 . 2]" 2
34 1 68 SER H 1 102 LEU O 2.300 . 2.500 2.482 2.363 2.503 0.003 16 0 "[ . 1 . 2]" 2
35 1 75 PRO O 1 79 ARG N 3.300 2.500 3.500 3.216 3.000 3.442 . 0 0 "[ . 1 . 2]" 2
36 1 75 PRO O 1 79 ARG H 2.300 . 2.500 2.326 2.054 2.501 0.001 8 0 "[ . 1 . 2]" 2
37 1 77 LEU O 1 81 ARG N 3.300 2.500 3.500 3.161 2.838 3.320 . 0 0 "[ . 1 . 2]" 2
38 1 77 LEU O 1 81 ARG H 2.300 . 2.500 2.289 1.934 2.500 . 0 0 "[ . 1 . 2]" 2
39 1 78 GLN O 1 82 LEU N 3.300 2.500 3.500 2.812 2.592 3.064 . 0 0 "[ . 1 . 2]" 2
40 1 78 GLN O 1 82 LEU H 2.300 . 2.500 1.961 1.782 2.221 . 0 0 "[ . 1 . 2]" 2
41 1 79 ARG O 1 83 VAL N 3.300 2.500 3.500 3.364 3.263 3.455 . 0 0 "[ . 1 . 2]" 2
42 1 79 ARG O 1 83 VAL H 2.300 . 2.500 2.433 2.313 2.502 0.002 11 0 "[ . 1 . 2]" 2
43 1 80 HIS O 1 84 ASN N 3.300 2.500 3.500 3.279 2.950 3.474 . 0 0 "[ . 1 . 2]" 2
44 1 80 HIS O 1 84 ASN H 2.300 . 2.500 2.368 2.039 2.502 0.002 11 0 "[ . 1 . 2]" 2
45 1 81 ARG O 1 85 GLU N 3.300 2.500 3.500 2.811 2.611 3.082 . 0 0 "[ . 1 . 2]" 2
46 1 81 ARG O 1 85 GLU H 2.300 . 2.500 1.910 1.684 2.285 . 0 0 "[ . 1 . 2]" 2
47 1 82 LEU O 1 86 CYS N 3.300 2.500 3.500 3.181 3.009 3.444 . 0 0 "[ . 1 . 2]" 2
48 1 82 LEU O 1 86 CYS H 2.300 . 2.500 2.302 2.119 2.502 0.002 18 0 "[ . 1 . 2]" 2
49 1 83 VAL O 1 87 LEU N 3.300 2.500 3.500 3.421 3.080 3.480 . 0 0 "[ . 1 . 2]" 2
50 1 83 VAL O 1 87 LEU H 2.300 . 2.500 2.456 2.180 2.502 0.002 13 0 "[ . 1 . 2]" 2
51 1 62 PHE O 1 98 GLU N 3.300 2.500 3.500 3.243 3.062 3.407 . 0 0 "[ . 1 . 2]" 2
52 1 62 PHE O 1 98 GLU H 2.300 . 2.500 2.414 2.164 2.502 0.002 9 0 "[ . 1 . 2]" 2
53 1 64 VAL O 1 100 LYS N 3.300 2.500 3.500 3.346 3.269 3.434 . 0 0 "[ . 1 . 2]" 2
54 1 64 VAL O 1 100 LYS H 2.300 . 2.500 2.502 2.498 2.505 0.005 19 0 "[ . 1 . 2]" 2
55 1 66 VAL O 1 102 LEU N 3.300 2.500 3.500 3.394 3.355 3.448 . 0 0 "[ . 1 . 2]" 2
56 1 66 VAL O 1 102 LEU H 2.300 . 2.500 2.496 2.465 2.504 0.004 5 0 "[ . 1 . 2]" 2
57 1 103 THR O 1 107 TRP N 3.300 2.500 3.500 3.044 2.951 3.126 . 0 0 "[ . 1 . 2]" 2
58 1 103 THR O 1 107 TRP H 2.300 . 2.500 2.086 2.004 2.171 . 0 0 "[ . 1 . 2]" 2
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