NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606612 |
5kp0   |
30127 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5kp0
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 1114
_Distance_constraint_stats_list.Viol_count 1220
_Distance_constraint_stats_list.Viol_total 1631.782
_Distance_constraint_stats_list.Viol_max 0.341
_Distance_constraint_stats_list.Viol_rms 0.0198
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0669
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.713 0.148 7 0 "[ . 1 . 2]"
1 4 THR 1.931 0.171 19 0 "[ . 1 . 2]"
1 5 VAL 0.888 0.148 7 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PHE 1.449 0.182 19 0 "[ . 1 . 2]"
1 8 ILE 0.165 0.065 12 0 "[ . 1 . 2]"
1 9 ASN 0.326 0.109 14 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 TRP 3.353 0.206 3 0 "[ . 1 . 2]"
1 12 GLN 0.308 0.078 13 0 "[ . 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ILE 1.608 0.212 14 0 "[ . 1 . 2]"
1 15 ALA 0.572 0.085 13 0 "[ . 1 . 2]"
1 16 LEU 0.355 0.078 13 0 "[ . 1 . 2]"
1 17 LEU 0.744 0.096 5 0 "[ . 1 . 2]"
1 18 SER 0.114 0.075 17 0 "[ . 1 . 2]"
1 19 GLN 0.325 0.272 17 0 "[ . 1 . 2]"
1 20 SER 0.391 0.272 17 0 "[ . 1 . 2]"
1 21 LEU 2.072 0.157 11 0 "[ . 1 . 2]"
1 22 LEU 1.241 0.110 13 0 "[ . 1 . 2]"
1 23 GLU 1.482 0.136 16 0 "[ . 1 . 2]"
1 24 LEU 2.154 0.175 2 0 "[ . 1 . 2]"
1 25 ALA 0.462 0.062 10 0 "[ . 1 . 2]"
1 26 GLN 3.046 0.197 11 0 "[ . 1 . 2]"
1 27 ARG 0.519 0.106 10 0 "[ . 1 . 2]"
1 28 GLY 0.771 0.162 13 0 "[ . 1 . 2]"
1 29 GLU 0.605 0.106 10 0 "[ . 1 . 2]"
1 30 TRP 2.379 0.196 8 0 "[ . 1 . 2]"
1 31 ASP 0.029 0.029 8 0 "[ . 1 . 2]"
1 32 LEU 1.815 0.170 19 0 "[ . 1 . 2]"
1 33 LEU 2.104 0.210 19 0 "[ . 1 . 2]"
1 34 LEU 0.032 0.032 19 0 "[ . 1 . 2]"
1 35 GLN 0.662 0.111 15 0 "[ . 1 . 2]"
1 36 GLN 2.684 0.170 19 0 "[ . 1 . 2]"
1 37 GLU 0.083 0.048 17 0 "[ . 1 . 2]"
1 38 VAL 0.112 0.048 17 0 "[ . 1 . 2]"
1 39 SER 0.047 0.019 19 0 "[ . 1 . 2]"
1 40 TYR 1.256 0.096 5 0 "[ . 1 . 2]"
1 41 LEU 0.403 0.110 11 0 "[ . 1 . 2]"
1 42 GLN 0.074 0.061 2 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ILE 3.344 0.162 2 0 "[ . 1 . 2]"
1 45 GLU 0.193 0.193 14 0 "[ . 1 . 2]"
1 46 THR 1.331 0.212 14 0 "[ . 1 . 2]"
1 47 VAL 3.510 0.206 3 0 "[ . 1 . 2]"
1 48 MET 2.091 0.128 9 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 THR 0.299 0.182 19 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 4.288 0.294 14 0 "[ . 1 . 2]"
1 57 THR 1.848 0.294 14 0 "[ . 1 . 2]"
1 60 ILE 0.825 0.164 14 0 "[ . 1 . 2]"
1 61 GLN 0.126 0.071 6 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 MET 1.288 0.196 14 0 "[ . 1 . 2]"
1 64 VAL 0.635 0.169 3 0 "[ . 1 . 2]"
1 65 ALA 0.076 0.076 2 0 "[ . 1 . 2]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 TYR 0.111 0.058 14 0 "[ . 1 . 2]"
1 68 ILE 2.381 0.241 4 0 "[ . 1 . 2]"
1 69 LYS 0.097 0.064 2 0 "[ . 1 . 2]"
1 70 GLN 0.906 0.112 14 0 "[ . 1 . 2]"
1 71 THR 2.249 0.162 2 0 "[ . 1 . 2]"
1 72 LEU 3.328 0.196 8 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 2.191 0.197 11 0 "[ . 1 . 2]"
1 78 LEU 4.670 0.210 19 0 "[ . 1 . 2]"
1 79 LYS 0.835 0.090 7 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LEU 3.045 0.162 13 0 "[ . 1 . 2]"
1 82 LEU 5.090 0.238 15 0 "[ . 1 . 2]"
1 83 GLN 1.217 0.153 11 0 "[ . 1 . 2]"
1 84 GLN 0.293 0.147 3 0 "[ . 1 . 2]"
1 85 ARG 1.360 0.153 11 0 "[ . 1 . 2]"
1 86 LEU 2.736 0.167 2 0 "[ . 1 . 2]"
1 87 ASP 0.007 0.007 2 0 "[ . 1 . 2]"
1 88 GLU 0.517 0.112 7 0 "[ . 1 . 2]"
1 89 LEU 2.834 0.149 11 0 "[ . 1 . 2]"
1 90 SER 0.692 0.077 3 0 "[ . 1 . 2]"
1 91 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 3.516 0.149 11 0 "[ . 1 . 2]"
1 93 ILE 0.635 0.109 17 0 "[ . 1 . 2]"
1 94 GLY 0.117 0.117 2 0 "[ . 1 . 2]"
1 95 GLN 0.910 0.223 2 0 "[ . 1 . 2]"
1 96 VAL 1.591 0.249 14 0 "[ . 1 . 2]"
1 97 LEU 2.018 0.197 8 0 "[ . 1 . 2]"
1 98 PHE 1.548 0.197 8 0 "[ . 1 . 2]"
1 99 GLN 0.090 0.043 14 0 "[ . 1 . 2]"
1 105 LEU 1.679 0.285 5 0 "[ . 1 . 2]"
1 106 VAL 1.419 0.285 5 0 "[ . 1 . 2]"
1 113 ILE 0.342 0.197 15 0 "[ . 1 . 2]"
1 114 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 MET 0.785 0.144 7 0 "[ . 1 . 2]"
1 117 THR 3.087 0.212 4 0 "[ . 1 . 2]"
1 118 THR 0.200 0.113 4 0 "[ . 1 . 2]"
1 119 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 LEU 1.891 0.156 15 0 "[ . 1 . 2]"
1 121 THR 2.745 0.212 4 0 "[ . 1 . 2]"
1 122 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 TRP 1.799 0.238 15 0 "[ . 1 . 2]"
1 124 LEU 9.274 0.341 5 0 "[ . 1 . 2]"
1 125 THR 3.495 0.341 5 0 "[ . 1 . 2]"
1 126 ALA 0.079 0.028 9 0 "[ . 1 . 2]"
1 127 LEU 2.942 0.210 17 0 "[ . 1 . 2]"
1 128 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 PHE 8.367 0.210 17 0 "[ . 1 . 2]"
1 131 GLU 0.971 0.086 14 0 "[ . 1 . 2]"
1 132 ALA 0.090 0.052 20 0 "[ . 1 . 2]"
1 133 LYS 0.027 0.013 1 0 "[ . 1 . 2]"
1 134 MET 5.955 0.305 20 0 "[ . 1 . 2]"
1 135 ALA 2.080 0.196 8 0 "[ . 1 . 2]"
1 136 LEU 0.345 0.072 12 0 "[ . 1 . 2]"
1 137 LEU 6.753 0.241 4 0 "[ . 1 . 2]"
1 139 ALA 0.411 0.149 7 0 "[ . 1 . 2]"
1 140 VAL 2.321 0.203 8 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 44 ILE MD 1 127 LEU MD1 4.710 . 5.180 4.822 4.496 5.134 . 0 0 "[ . 1 . 2]" 1
2 1 17 LEU MD1 1 44 ILE MD 5.520 . 6.070 5.387 5.266 5.516 . 0 0 "[ . 1 . 2]" 1
3 1 48 MET ME 1 137 LEU MD1 3.810 . 4.190 3.203 2.946 3.871 . 0 0 "[ . 1 . 2]" 1
4 1 24 LEU MD2 1 32 LEU MD1 3.120 . 3.430 1.964 1.796 2.403 0.004 6 0 "[ . 1 . 2]" 1
5 1 24 LEU MD2 1 32 LEU MD2 3.880 . 4.270 4.227 3.921 4.389 0.119 12 0 "[ . 1 . 2]" 1
6 1 33 LEU MD1 1 82 LEU MD2 4.170 . 4.590 3.231 1.816 4.235 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET ME 1 4 THR MG 4.860 . 5.350 4.336 2.218 5.390 0.040 16 0 "[ . 1 . 2]" 1
8 1 33 LEU MD1 1 78 LEU MD2 3.190 . 3.510 3.149 2.182 3.466 . 0 0 "[ . 1 . 2]" 1
9 1 5 VAL MG1 1 8 ILE MD 4.880 . 5.370 5.151 4.809 5.377 0.007 18 0 "[ . 1 . 2]" 1
10 1 47 VAL MG2 1 68 ILE MD 5.520 . 6.070 5.224 4.943 5.442 . 0 0 "[ . 1 . 2]" 1
11 1 68 ILE MD 1 137 LEU MD2 4.530 . 5.530 5.604 5.215 5.771 0.241 4 0 "[ . 1 . 2]" 1
12 1 68 ILE MD 1 72 LEU MD1 4.710 . 5.180 4.238 4.099 4.483 . 0 0 "[ . 1 . 2]" 1
13 1 134 MET ME 1 137 LEU MD2 3.920 . 4.920 4.818 4.468 5.046 0.126 14 0 "[ . 1 . 2]" 1
14 1 72 LEU MD2 1 134 MET ME 3.400 . 3.740 3.473 3.118 3.762 0.022 1 0 "[ . 1 . 2]" 1
15 1 8 ILE MD 1 60 ILE MD 3.590 . 3.950 3.137 2.909 3.501 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL MG2 1 8 ILE MD 4.880 . 5.370 4.386 3.755 4.668 . 0 0 "[ . 1 . 2]" 1
17 1 71 THR MG 1 72 LEU MD1 4.910 . 5.400 3.870 3.603 4.073 . 0 0 "[ . 1 . 2]" 1
18 1 22 LEU MD1 1 81 LEU MD1 3.720 . 4.090 3.195 2.638 3.651 . 0 0 "[ . 1 . 2]" 1
19 1 78 LEU MD2 1 81 LEU MD1 4.200 . 4.620 4.068 3.297 4.702 0.082 11 0 "[ . 1 . 2]" 1
20 1 124 LEU MD2 1 127 LEU MD2 4.550 . 5.010 4.284 4.095 4.567 . 0 0 "[ . 1 . 2]" 1
21 1 14 ILE MD 1 17 LEU MD1 5.370 . 5.910 4.852 4.391 5.208 . 0 0 "[ . 1 . 2]" 1
22 1 33 LEU MD1 1 78 LEU MD1 3.870 . 4.870 4.616 3.160 4.918 0.048 10 0 "[ . 1 . 2]" 1
23 1 22 LEU MD1 1 78 LEU MD1 4.250 . 4.680 3.928 3.710 4.122 . 0 0 "[ . 1 . 2]" 1
24 1 21 LEU MD2 1 78 LEU MD1 4.010 . 4.410 4.114 3.705 4.412 0.002 8 0 "[ . 1 . 2]" 1
25 1 22 LEU MD2 1 78 LEU MD2 4.710 . 5.180 4.836 4.657 4.989 . 0 0 "[ . 1 . 2]" 1
26 1 22 LEU MD2 1 77 LEU MD1 3.060 . 3.370 2.046 1.937 2.142 . 0 0 "[ . 1 . 2]" 1
27 1 120 LEU MD1 1 124 LEU MD1 4.150 . 4.570 4.656 4.591 4.726 0.156 15 0 "[ . 1 . 2]" 1
28 1 124 LEU MD1 1 127 LEU MD1 4.420 . 4.860 4.564 4.340 4.863 0.003 16 0 "[ . 1 . 2]" 1
29 1 124 LEU MD2 1 127 LEU MD1 3.630 . 3.990 2.164 1.985 2.435 . 0 0 "[ . 1 . 2]" 1
30 1 78 LEU MD2 1 127 LEU MD1 4.420 . 4.860 3.898 3.471 4.153 . 0 0 "[ . 1 . 2]" 1
31 1 126 ALA MB 1 127 LEU MD1 5.040 . 5.540 5.039 4.808 5.193 . 0 0 "[ . 1 . 2]" 1
32 1 17 LEU MD2 1 21 LEU MD2 3.930 . 4.320 3.828 3.519 4.121 . 0 0 "[ . 1 . 2]" 1
33 1 135 ALA MB 1 136 LEU MD1 4.720 . 5.190 4.662 4.428 4.903 . 0 0 "[ . 1 . 2]" 1
34 1 22 LEU MD2 1 77 LEU MD2 3.840 . 4.220 4.033 3.697 4.250 0.030 9 0 "[ . 1 . 2]" 1
35 1 22 LEU MD1 1 77 LEU MD2 3.690 . 4.060 3.609 3.363 3.826 . 0 0 "[ . 1 . 2]" 1
36 1 121 THR MG 1 124 LEU MD2 6.010 . 6.610 5.479 5.144 5.808 . 0 0 "[ . 1 . 2]" 1
37 1 113 ILE MD 1 117 THR MG 4.410 . 4.850 4.029 3.198 5.047 0.197 15 0 "[ . 1 . 2]" 1
38 1 93 ILE MD 1 106 VAL MG1 4.250 . 4.680 3.026 2.013 4.584 . 0 0 "[ . 1 . 2]" 1
39 1 106 VAL MG1 1 113 ILE MD 4.500 . 4.950 3.073 1.988 4.563 . 0 0 "[ . 1 . 2]" 1
40 1 93 ILE MD 1 106 VAL MG2 4.250 . 4.680 3.119 1.798 4.680 0.002 6 0 "[ . 1 . 2]" 1
41 1 106 VAL MG2 1 113 ILE MD 4.500 . 4.950 3.544 2.198 4.693 . 0 0 "[ . 1 . 2]" 1
42 1 52 THR MG 1 60 ILE MD 4.510 . 4.960 4.090 3.336 4.931 . 0 0 "[ . 1 . 2]" 1
43 1 14 ILE MD 1 47 VAL MG1 3.680 . 4.050 1.959 1.886 2.025 . 0 0 "[ . 1 . 2]" 1
44 1 14 ILE MD 1 47 VAL MG2 3.680 . 4.050 2.837 2.609 3.067 . 0 0 "[ . 1 . 2]" 1
45 1 4 THR MG 1 56 ILE MD 4.200 . 4.620 4.528 4.256 4.791 0.171 19 0 "[ . 1 . 2]" 1
46 1 56 ILE MD 1 57 THR MG 3.260 . 3.590 3.495 2.694 3.884 0.294 14 0 "[ . 1 . 2]" 1
47 1 56 ILE MD 1 63 MET ME 5.590 . 6.150 5.961 5.269 6.346 0.196 14 0 "[ . 1 . 2]" 1
48 1 8 ILE MD 1 56 ILE MD 5.310 . 5.840 4.840 4.656 5.015 . 0 0 "[ . 1 . 2]" 1
49 1 89 LEU MD2 1 92 LEU MD1 4.030 . 4.430 2.163 1.890 2.915 . 0 0 "[ . 1 . 2]" 1
50 1 92 LEU MD1 1 93 ILE MD 4.700 . 5.170 4.839 3.823 5.268 0.098 14 0 "[ . 1 . 2]" 1
51 1 89 LEU MD2 1 92 LEU MD2 4.560 . 5.020 4.520 4.234 5.079 0.059 20 0 "[ . 1 . 2]" 1
52 1 64 VAL MG1 1 68 ILE MD 4.060 . 4.470 2.111 2.026 2.198 . 0 0 "[ . 1 . 2]" 1
53 1 56 ILE MD 1 64 VAL MG1 5.090 . 5.600 4.920 3.772 5.513 . 0 0 "[ . 1 . 2]" 1
54 1 56 ILE MD 1 64 VAL MG2 5.090 . 5.600 4.230 3.286 4.737 . 0 0 "[ . 1 . 2]" 1
55 1 56 ILE MD 1 140 VAL MG2 5.180 . 5.700 4.761 2.948 5.811 0.111 7 0 "[ . 1 . 2]" 1
56 1 56 ILE MD 1 140 VAL MG1 5.180 . 5.700 4.529 2.719 5.868 0.168 1 0 "[ . 1 . 2]" 1
57 1 106 VAL MG1 1 117 THR MG 4.390 . 4.830 2.835 2.007 4.157 . 0 0 "[ . 1 . 2]" 1
58 1 106 VAL MG1 1 116 MET ME 5.490 . 6.040 4.888 4.112 6.068 0.028 7 0 "[ . 1 . 2]" 1
59 1 137 LEU MD1 1 140 VAL MG2 4.850 . 5.330 3.049 1.941 4.945 . 0 0 "[ . 1 . 2]" 1
60 1 86 LEU MD2 1 89 LEU MD2 5.060 . 5.570 4.605 4.371 5.157 . 0 0 "[ . 1 . 2]" 1
61 1 116 MET ME 1 120 LEU MD1 4.180 . 4.600 4.007 3.233 4.654 0.054 15 0 "[ . 1 . 2]" 1
62 1 82 LEU MD1 1 120 LEU MD2 4.530 . 4.980 2.699 2.260 3.066 . 0 0 "[ . 1 . 2]" 1
63 1 86 LEU MD1 1 120 LEU MD2 5.060 . 5.570 3.698 3.411 3.890 . 0 0 "[ . 1 . 2]" 1
64 1 8 ILE MD 1 52 THR MG 6.290 . 6.920 5.742 5.115 6.615 . 0 0 "[ . 1 . 2]" 1
65 1 86 LEU MD2 1 121 THR MG 4.290 . 4.720 3.540 3.053 4.124 . 0 0 "[ . 1 . 2]" 1
66 1 116 MET ME 1 117 THR MG 4.100 . 4.510 2.607 2.035 4.153 . 0 0 "[ . 1 . 2]" 1
67 1 25 ALA MB 1 127 LEU MD1 6.810 . 7.490 5.839 5.448 6.059 . 0 0 "[ . 1 . 2]" 1
68 1 44 ILE MD 1 48 MET ME 5.740 . 6.310 4.796 4.524 5.138 . 0 0 "[ . 1 . 2]" 1
69 1 22 LEU MD1 1 81 LEU MD2 4.470 . 4.920 4.463 4.004 4.700 . 0 0 "[ . 1 . 2]" 1
70 1 86 LEU MD1 1 117 THR MG 4.460 . 4.910 4.160 3.664 4.469 . 0 0 "[ . 1 . 2]" 1
71 1 41 LEU MD2 1 124 LEU MD2 5.540 . 6.090 5.819 5.603 6.029 . 0 0 "[ . 1 . 2]" 1
72 1 41 LEU MD1 1 127 LEU MD2 4.710 . 5.180 4.053 3.730 4.321 . 0 0 "[ . 1 . 2]" 1
73 1 41 LEU MD1 1 127 LEU MD1 5.280 . 5.810 5.546 5.193 5.786 . 0 0 "[ . 1 . 2]" 1
74 1 14 ILE MD 1 134 MET ME 5.010 . 5.510 5.449 5.252 5.640 0.130 8 0 "[ . 1 . 2]" 1
75 1 82 LEU MD1 1 127 LEU MD2 4.600 . 5.060 4.714 4.582 4.970 . 0 0 "[ . 1 . 2]" 1
76 1 89 LEU MD2 1 116 MET ME 3.800 . 4.180 3.470 2.603 4.229 0.049 15 0 "[ . 1 . 2]" 1
77 1 48 MET ME 1 72 LEU MD2 5.150 . 5.670 5.319 4.990 5.501 . 0 0 "[ . 1 . 2]" 1
78 1 121 THR MG 1 124 LEU MD1 4.160 . 4.580 3.423 3.042 3.907 . 0 0 "[ . 1 . 2]" 1
79 1 60 ILE MD 1 63 MET ME 4.320 . 4.750 4.562 4.323 4.914 0.164 14 0 "[ . 1 . 2]" 1
80 1 82 LEU MD2 1 120 LEU MD2 4.020 . 4.420 2.449 1.971 2.823 . 0 0 "[ . 1 . 2]" 1
81 1 86 LEU MD1 1 124 LEU MD1 2.940 . 3.230 1.931 1.840 1.998 . 0 0 "[ . 1 . 2]" 1
82 1 86 LEU MD2 1 124 LEU MD1 4.040 . 4.440 4.307 4.184 4.396 . 0 0 "[ . 1 . 2]" 1
83 1 24 LEU MD1 1 32 LEU MD1 3.510 . 3.860 2.672 2.174 3.333 . 0 0 "[ . 1 . 2]" 1
84 1 78 LEU MD2 1 82 LEU MD1 3.750 . 4.130 2.113 1.935 2.301 . 0 0 "[ . 1 . 2]" 1
85 1 86 LEU MD1 1 120 LEU MD1 4.040 . 4.440 2.879 2.563 3.126 . 0 0 "[ . 1 . 2]" 1
86 1 18 SER H 1 19 GLN H 3.580 . 3.940 2.703 2.617 2.771 . 0 0 "[ . 1 . 2]" 1
87 1 19 GLN H 1 21 LEU H 4.530 . 4.980 4.251 3.982 4.462 . 0 0 "[ . 1 . 2]" 1
88 1 88 GLU H 1 89 LEU H 2.890 . 3.180 2.810 2.698 2.908 . 0 0 "[ . 1 . 2]" 1
89 1 88 GLU H 1 91 SER H 4.840 . 5.320 4.746 4.611 4.854 . 0 0 "[ . 1 . 2]" 1
90 1 89 LEU H 1 90 SER H 3.290 . 3.620 2.846 2.743 2.955 . 0 0 "[ . 1 . 2]" 1
91 1 87 ASP H 1 88 GLU H 2.990 . 3.290 2.690 2.511 2.905 . 0 0 "[ . 1 . 2]" 1
92 1 86 LEU H 1 87 ASP H 3.000 . 3.300 2.597 2.477 2.716 . 0 0 "[ . 1 . 2]" 1
93 1 68 ILE H 1 69 LYS H 3.450 . 3.790 2.644 2.446 2.774 . 0 0 "[ . 1 . 2]" 1
94 1 60 ILE H 1 61 GLN H 3.080 . 3.390 2.709 2.572 2.804 . 0 0 "[ . 1 . 2]" 1
95 1 70 GLN H 1 71 THR H 3.330 . 3.660 2.852 2.751 2.934 . 0 0 "[ . 1 . 2]" 1
96 1 69 LYS H 1 70 GLN H 3.210 . 3.530 2.623 2.512 2.741 . 0 0 "[ . 1 . 2]" 1
97 1 68 ILE H 1 70 GLN H 4.130 . 4.540 3.927 3.740 4.116 . 0 0 "[ . 1 . 2]" 1
98 1 38 VAL H 1 39 SER H 3.220 . 3.540 2.757 2.639 2.922 . 0 0 "[ . 1 . 2]" 1
99 1 38 VAL H 1 40 TYR H 4.900 . 5.390 4.317 4.190 4.538 . 0 0 "[ . 1 . 2]" 1
100 1 71 THR H 1 72 LEU H 3.260 . 3.590 2.687 2.598 2.834 . 0 0 "[ . 1 . 2]" 1
101 1 72 LEU H 1 73 ASP H 3.220 . 3.540 2.662 2.554 2.747 . 0 0 "[ . 1 . 2]" 1
102 1 73 ASP H 1 75 GLU H 4.150 . 4.570 3.991 3.823 4.159 . 0 0 "[ . 1 . 2]" 1
103 1 73 ASP H 1 74 ASN H 3.110 . 3.420 2.622 2.530 2.794 . 0 0 "[ . 1 . 2]" 1
104 1 74 ASN H 1 75 GLU H 3.460 . 3.810 2.609 2.479 2.706 . 0 0 "[ . 1 . 2]" 1
105 1 75 GLU H 1 78 LEU H 4.740 . 5.210 4.445 4.294 4.607 . 0 0 "[ . 1 . 2]" 1
106 1 75 GLU H 1 77 LEU H 4.320 . 4.750 4.129 3.893 4.314 . 0 0 "[ . 1 . 2]" 1
107 1 76 GLN H 1 77 LEU H 3.220 . 3.540 2.663 2.523 2.836 . 0 0 "[ . 1 . 2]" 1
108 1 75 GLU H 1 76 GLN H 3.350 . 3.690 2.521 2.425 2.582 . 0 0 "[ . 1 . 2]" 1
109 1 73 ASP H 1 76 GLN H 5.150 . 5.670 4.527 4.418 4.687 . 0 0 "[ . 1 . 2]" 1
110 1 76 GLN H 1 79 LYS H 5.580 . 6.140 4.675 4.443 4.949 . 0 0 "[ . 1 . 2]" 1
111 1 76 GLN H 1 78 LEU H 4.130 . 4.540 3.935 3.765 4.066 . 0 0 "[ . 1 . 2]" 1
112 1 77 LEU H 1 79 LYS H 4.250 . 4.680 4.313 3.859 4.739 0.059 16 0 "[ . 1 . 2]" 1
113 1 77 LEU H 1 78 LEU H 3.190 . 3.510 2.660 2.616 2.749 . 0 0 "[ . 1 . 2]" 1
114 1 78 LEU H 1 80 GLY H 4.290 . 4.720 4.244 3.831 4.614 . 0 0 "[ . 1 . 2]" 1
115 1 78 LEU H 1 79 LYS H 3.270 . 3.600 2.835 2.668 2.993 . 0 0 "[ . 1 . 2]" 1
116 1 79 LYS H 1 80 GLY H 3.190 . 3.510 2.675 2.548 2.895 . 0 0 "[ . 1 . 2]" 1
117 1 79 LYS H 1 81 LEU H 4.520 . 4.970 4.303 4.032 4.628 . 0 0 "[ . 1 . 2]" 1
118 1 80 GLY H 1 81 LEU H 3.090 . 3.400 2.730 2.581 2.932 . 0 0 "[ . 1 . 2]" 1
119 1 81 LEU H 1 82 LEU H 3.100 . 3.410 2.730 2.594 2.877 . 0 0 "[ . 1 . 2]" 1
120 1 82 LEU H 1 83 GLN H 3.140 . 3.450 2.612 2.457 2.788 . 0 0 "[ . 1 . 2]" 1
121 1 119 ARG H 1 120 LEU H 3.070 . 3.380 2.803 2.588 2.963 . 0 0 "[ . 1 . 2]" 1
122 1 82 LEU H 1 84 GLN H 4.330 . 4.760 4.201 3.931 4.537 . 0 0 "[ . 1 . 2]" 1
123 1 80 GLY H 1 82 LEU H 4.350 . 4.790 4.221 3.876 4.536 . 0 0 "[ . 1 . 2]" 1
124 1 84 GLN H 1 85 ARG H 3.030 . 3.330 2.661 2.491 2.811 . 0 0 "[ . 1 . 2]" 1
125 1 83 GLN H 1 84 GLN H 2.930 . 3.220 2.674 2.577 2.798 . 0 0 "[ . 1 . 2]" 1
126 1 85 ARG H 1 86 LEU H 3.180 . 3.500 2.629 2.428 2.755 . 0 0 "[ . 1 . 2]" 1
127 1 85 ARG H 1 87 ASP H 4.130 . 4.540 3.840 3.584 4.100 . 0 0 "[ . 1 . 2]" 1
128 1 65 ALA H 1 66 GLY H 3.670 . 4.040 2.625 2.545 2.735 . 0 0 "[ . 1 . 2]" 1
129 1 123 TRP HD1 1 124 LEU H 4.110 . 4.520 2.942 2.660 3.131 . 0 0 "[ . 1 . 2]" 1
130 1 123 TRP H 1 124 LEU H 3.680 . 4.050 2.706 2.551 2.851 . 0 0 "[ . 1 . 2]" 1
131 1 62 ASP H 1 63 MET H 3.340 . 3.670 2.702 2.542 2.802 . 0 0 "[ . 1 . 2]" 1
132 1 62 ASP H 1 64 VAL H 4.630 . 5.090 4.228 4.028 4.566 . 0 0 "[ . 1 . 2]" 1
133 1 14 ILE H 1 15 ALA H 3.420 . 3.760 2.621 2.521 2.706 . 0 0 "[ . 1 . 2]" 1
134 1 65 ALA H 1 67 TYR H 4.380 . 4.820 4.209 4.009 4.414 . 0 0 "[ . 1 . 2]" 1
135 1 66 GLY H 1 67 TYR H 3.720 . 4.090 2.686 2.573 2.812 . 0 0 "[ . 1 . 2]" 1
136 1 67 TYR H 1 67 TYR QD 3.810 . 4.190 3.219 3.170 3.308 . 0 0 "[ . 1 . 2]" 1
137 1 67 TYR H 1 67 TYR QE 4.480 . 4.930 4.565 4.457 4.706 . 0 0 "[ . 1 . 2]" 1
138 1 67 TYR H 1 68 ILE H 3.290 . 3.620 2.564 2.467 2.678 . 0 0 "[ . 1 . 2]" 1
139 1 19 GLN H 1 20 SER H 3.000 . 3.300 2.708 2.569 2.967 . 0 0 "[ . 1 . 2]" 1
140 1 18 SER H 1 20 SER H 4.060 . 4.470 4.248 3.961 4.545 0.075 17 0 "[ . 1 . 2]" 1
141 1 20 SER H 1 22 LEU H 4.310 . 4.740 3.992 3.774 4.260 . 0 0 "[ . 1 . 2]" 1
142 1 20 SER H 1 23 GLU H 4.890 . 5.380 4.847 4.725 4.989 . 0 0 "[ . 1 . 2]" 1
143 1 21 LEU H 1 22 LEU H 3.010 . 3.310 2.686 2.520 2.826 . 0 0 "[ . 1 . 2]" 1
144 1 20 SER H 1 21 LEU H 3.090 . 3.400 2.748 2.599 2.896 . 0 0 "[ . 1 . 2]" 1
145 1 21 LEU H 1 23 GLU H 4.370 . 4.810 4.361 4.098 4.596 . 0 0 "[ . 1 . 2]" 1
146 1 23 GLU H 1 24 LEU H 2.950 . 3.250 2.702 2.631 2.773 . 0 0 "[ . 1 . 2]" 1
147 1 22 LEU H 1 23 GLU H 3.040 . 3.340 2.704 2.622 2.760 . 0 0 "[ . 1 . 2]" 1
148 1 24 LEU H 1 25 ALA H 3.250 . 3.580 2.671 2.458 2.839 . 0 0 "[ . 1 . 2]" 1
149 1 25 ALA H 1 26 GLN H 3.250 . 3.580 2.589 2.464 2.682 . 0 0 "[ . 1 . 2]" 1
150 1 26 GLN H 1 27 ARG H 3.040 . 3.340 2.598 2.467 2.690 . 0 0 "[ . 1 . 2]" 1
151 1 27 ARG H 1 28 GLY H 2.890 . 3.180 2.431 2.248 2.546 . 0 0 "[ . 1 . 2]" 1
152 1 25 ALA H 1 27 ARG H 4.020 . 4.420 3.947 3.666 4.169 . 0 0 "[ . 1 . 2]" 1
153 1 28 GLY H 1 29 GLU H 2.860 . 3.150 2.437 2.325 2.708 . 0 0 "[ . 1 . 2]" 1
154 1 27 ARG H 1 29 GLU H 3.520 . 3.870 3.822 3.602 3.976 0.106 10 0 "[ . 1 . 2]" 1
155 1 30 TRP H 1 30 TRP HD1 3.490 . 3.840 3.281 2.953 3.738 . 0 0 "[ . 1 . 2]" 1
156 1 26 GLN H 1 28 GLY H 4.040 . 4.440 3.893 3.743 3.987 . 0 0 "[ . 1 . 2]" 1
157 1 29 GLU H 1 30 TRP H 3.840 . 4.220 3.909 3.636 4.218 . 0 0 "[ . 1 . 2]" 1
158 1 31 ASP H 1 32 LEU H 3.100 . 3.410 2.749 2.639 2.921 . 0 0 "[ . 1 . 2]" 1
159 1 30 TRP H 1 31 ASP H 3.310 . 3.640 2.511 2.346 2.617 . 0 0 "[ . 1 . 2]" 1
160 1 30 TRP HD1 1 31 ASP H 4.530 . 4.980 4.675 4.304 5.009 0.029 8 0 "[ . 1 . 2]" 1
161 1 33 LEU H 1 34 LEU H 3.170 . 3.490 2.683 2.577 2.816 . 0 0 "[ . 1 . 2]" 1
162 1 35 GLN H 1 36 GLN H 2.980 . 3.280 2.606 2.422 2.743 . 0 0 "[ . 1 . 2]" 1
163 1 34 LEU H 1 35 GLN H 3.030 . 3.330 2.607 2.494 2.698 . 0 0 "[ . 1 . 2]" 1
164 1 35 GLN H 1 37 GLU H 3.580 . 3.940 3.633 3.474 3.760 . 0 0 "[ . 1 . 2]" 1
165 1 36 GLN H 1 37 GLU H 3.280 . 3.610 2.482 2.360 2.598 . 0 0 "[ . 1 . 2]" 1
166 1 37 GLU H 1 38 VAL H 3.680 . 4.050 3.082 2.889 3.233 . 0 0 "[ . 1 . 2]" 1
167 1 38 VAL H 1 38 VAL MG2 3.830 . 4.210 3.106 1.922 3.828 . 0 0 "[ . 1 . 2]" 1
168 1 41 LEU H 1 42 GLN H 3.470 . 3.820 2.594 2.505 2.662 . 0 0 "[ . 1 . 2]" 1
169 1 42 GLN H 1 43 SER H 3.230 . 3.550 2.683 2.492 2.830 . 0 0 "[ . 1 . 2]" 1
170 1 42 GLN H 1 44 ILE H 4.260 . 4.690 4.093 3.975 4.219 . 0 0 "[ . 1 . 2]" 1
171 1 43 SER H 1 44 ILE H 3.170 . 3.490 2.652 2.555 2.740 . 0 0 "[ . 1 . 2]" 1
172 1 44 ILE H 1 45 GLU H 3.140 . 3.450 2.814 2.759 2.893 . 0 0 "[ . 1 . 2]" 1
173 1 45 GLU H 1 46 THR H 3.780 . 4.160 2.716 2.478 2.894 . 0 0 "[ . 1 . 2]" 1
174 1 45 GLU H 1 47 VAL H 3.950 . 4.350 4.232 4.129 4.321 . 0 0 "[ . 1 . 2]" 1
175 1 46 THR H 1 47 VAL H 3.370 . 3.710 2.646 2.561 2.767 . 0 0 "[ . 1 . 2]" 1
176 1 47 VAL H 1 49 GLU H 3.840 . 4.220 3.841 3.657 4.027 . 0 0 "[ . 1 . 2]" 1
177 1 47 VAL H 1 48 MET H 3.700 . 4.070 2.493 2.424 2.587 . 0 0 "[ . 1 . 2]" 1
178 1 93 ILE H 1 94 GLY H 3.370 . 3.710 2.517 2.266 2.712 . 0 0 "[ . 1 . 2]" 1
179 1 48 MET H 1 49 GLU H 3.100 . 3.410 2.461 2.366 2.570 . 0 0 "[ . 1 . 2]" 1
180 1 50 LYS H 1 51 GLN H 4.670 . 5.140 3.889 3.003 4.350 . 0 0 "[ . 1 . 2]" 1
181 1 9 ASN H 1 10 ARG H 3.120 . 3.430 2.598 2.448 2.695 . 0 0 "[ . 1 . 2]" 1
182 1 10 ARG H 1 11 TRP H 3.570 . 3.930 2.685 2.493 2.867 . 0 0 "[ . 1 . 2]" 1
183 1 8 ILE H 1 9 ASN H 3.380 . 3.720 2.709 2.603 2.821 . 0 0 "[ . 1 . 2]" 1
184 1 10 ARG H 1 12 GLN H 4.490 . 4.940 3.909 3.669 4.053 . 0 0 "[ . 1 . 2]" 1
185 1 12 GLN H 1 13 ARG H 3.080 . 3.390 2.693 2.529 2.862 . 0 0 "[ . 1 . 2]" 1
186 1 11 TRP H 1 12 GLN H 3.510 . 3.860 2.717 2.596 2.788 . 0 0 "[ . 1 . 2]" 1
187 1 7 PHE H 1 8 ILE H 3.700 . 4.070 2.818 2.669 2.960 . 0 0 "[ . 1 . 2]" 1
188 1 7 PHE H 1 9 ASN HD21 5.490 . 6.040 5.637 5.167 5.948 . 0 0 "[ . 1 . 2]" 1
189 1 132 ALA H 1 133 LYS H 3.150 . 3.470 2.857 2.716 2.930 . 0 0 "[ . 1 . 2]" 1
190 1 133 LYS H 1 134 MET H 3.270 . 3.600 2.661 2.559 2.773 . 0 0 "[ . 1 . 2]" 1
191 1 132 ALA H 1 134 MET H 4.730 . 5.200 4.130 4.014 4.208 . 0 0 "[ . 1 . 2]" 1
192 1 94 GLY H 1 95 GLN H 3.850 . 4.230 3.202 2.146 4.347 0.117 2 0 "[ . 1 . 2]" 1
193 1 13 ARG H 1 14 ILE H 3.280 . 3.610 2.712 2.605 2.814 . 0 0 "[ . 1 . 2]" 1
194 1 13 ARG H 1 15 ALA H 4.350 . 4.790 4.174 3.973 4.355 . 0 0 "[ . 1 . 2]" 1
195 1 15 ALA H 1 17 LEU H 4.400 . 4.840 4.077 3.951 4.188 . 0 0 "[ . 1 . 2]" 1
196 1 17 LEU H 1 18 SER H 3.550 . 3.900 2.730 2.660 2.825 . 0 0 "[ . 1 . 2]" 1
197 1 136 LEU H 1 137 LEU H 2.600 . 2.860 2.566 2.437 2.692 . 0 0 "[ . 1 . 2]" 1
198 1 15 ALA H 1 16 LEU H 3.450 . 3.790 2.669 2.605 2.781 . 0 0 "[ . 1 . 2]" 1
199 1 14 ILE H 1 16 LEU H 4.250 . 4.680 4.196 3.956 4.461 . 0 0 "[ . 1 . 2]" 1
200 1 16 LEU H 1 17 LEU H 3.210 . 3.530 2.632 2.531 2.724 . 0 0 "[ . 1 . 2]" 1
201 1 16 LEU H 1 18 SER H 4.040 . 4.440 4.228 3.997 4.455 0.015 3 0 "[ . 1 . 2]" 1
202 1 131 GLU H 1 132 ALA H 3.610 . 3.970 3.001 2.859 3.134 . 0 0 "[ . 1 . 2]" 1
203 1 130 PHE H 1 131 GLU H 3.600 . 3.960 2.869 2.815 2.950 . 0 0 "[ . 1 . 2]" 1
204 1 130 PHE QD 1 131 GLU H 3.490 . 3.840 2.920 2.790 3.009 . 0 0 "[ . 1 . 2]" 1
205 1 129 ASN H 1 131 GLU H 4.320 . 4.750 4.416 4.229 4.573 . 0 0 "[ . 1 . 2]" 1
206 1 131 GLU H 1 133 LYS H 4.780 . 5.260 4.704 4.597 4.829 . 0 0 "[ . 1 . 2]" 1
207 1 139 ALA H 1 140 VAL H 3.020 . 3.320 2.564 1.860 3.469 0.149 7 0 "[ . 1 . 2]" 1
208 1 134 MET H 1 136 LEU H 4.170 . 4.590 3.649 3.422 3.839 . 0 0 "[ . 1 . 2]" 1
209 1 133 LYS H 1 136 LEU H 4.740 . 5.210 4.639 4.526 4.774 . 0 0 "[ . 1 . 2]" 1
210 1 135 ALA H 1 136 LEU H 2.910 . 3.200 2.516 2.419 2.613 . 0 0 "[ . 1 . 2]" 1
211 1 125 THR H 1 126 ALA H 3.500 . 3.850 2.607 2.431 2.775 . 0 0 "[ . 1 . 2]" 1
212 1 126 ALA H 1 128 ASP H 4.530 . 4.980 4.130 3.840 4.475 . 0 0 "[ . 1 . 2]" 1
213 1 126 ALA H 1 127 LEU H 3.300 . 3.630 2.539 2.465 2.617 . 0 0 "[ . 1 . 2]" 1
214 1 127 LEU H 1 128 ASP H 3.350 . 3.690 2.539 2.416 2.661 . 0 0 "[ . 1 . 2]" 1
215 1 125 THR H 1 127 LEU H 4.590 . 5.050 3.945 3.844 4.045 . 0 0 "[ . 1 . 2]" 1
216 1 127 LEU H 1 129 ASN H 4.380 . 4.820 3.877 3.684 4.115 . 0 0 "[ . 1 . 2]" 1
217 1 128 ASP H 1 129 ASN H 3.300 . 3.630 2.618 2.475 2.711 . 0 0 "[ . 1 . 2]" 1
218 1 129 ASN H 1 130 PHE H 3.470 . 3.820 2.695 2.546 2.788 . 0 0 "[ . 1 . 2]" 1
219 1 130 PHE H 1 130 PHE QD 3.680 . 4.050 4.189 4.173 4.206 0.156 18 0 "[ . 1 . 2]" 1
220 1 119 ARG H 1 121 THR H 3.960 . 4.360 4.191 4.012 4.348 . 0 0 "[ . 1 . 2]" 1
221 1 118 THR H 1 119 ARG H 3.780 . 4.160 2.761 2.588 2.912 . 0 0 "[ . 1 . 2]" 1
222 1 120 LEU H 1 121 THR H 3.350 . 3.690 2.718 2.624 2.822 . 0 0 "[ . 1 . 2]" 1
223 1 63 MET H 1 64 VAL H 4.210 . 4.630 2.739 2.632 2.887 . 0 0 "[ . 1 . 2]" 1
224 1 17 LEU H 1 19 GLN H 4.630 . 5.090 4.201 3.973 4.472 . 0 0 "[ . 1 . 2]" 1
225 1 98 PHE H 1 98 PHE QD 4.000 . 4.400 2.500 1.825 3.509 . 0 0 "[ . 1 . 2]" 1
226 1 6 GLU H 1 7 PHE H 4.130 . 4.540 2.798 2.673 2.966 . 0 0 "[ . 1 . 2]" 1
227 1 86 LEU H 1 88 GLU H 4.800 . 5.280 4.268 3.876 4.501 . 0 0 "[ . 1 . 2]" 1
228 1 113 ILE H 1 114 GLU H 4.550 . 5.010 2.654 2.438 2.804 . 0 0 "[ . 1 . 2]" 1
229 1 113 ILE MD 1 114 GLU H 4.460 . 4.910 4.365 3.776 4.874 . 0 0 "[ . 1 . 2]" 1
230 1 113 ILE H 1 113 ILE MD 4.310 . 4.740 3.966 3.566 4.541 . 0 0 "[ . 1 . 2]" 1
231 1 134 MET H 1 135 ALA H 3.610 . 3.970 2.417 2.299 2.464 . 0 0 "[ . 1 . 2]" 1
232 1 133 LYS H 1 135 ALA H 3.950 . 4.350 4.156 3.994 4.362 0.012 13 0 "[ . 1 . 2]" 1
233 1 134 MET H 1 137 LEU H 5.290 . 5.820 4.516 4.390 4.576 . 0 0 "[ . 1 . 2]" 1
234 1 21 LEU MD1 1 22 LEU H 5.060 . 5.570 4.655 4.482 4.782 . 0 0 "[ . 1 . 2]" 1
235 1 22 LEU H 1 78 LEU MD2 3.490 . 3.840 3.422 3.304 3.607 . 0 0 "[ . 1 . 2]" 1
236 1 22 LEU H 1 78 LEU MD1 3.620 . 3.980 3.166 3.085 3.271 . 0 0 "[ . 1 . 2]" 1
237 1 22 LEU H 1 22 LEU MD2 4.430 . 4.870 4.355 4.282 4.428 . 0 0 "[ . 1 . 2]" 1
238 1 8 ILE H 1 10 ARG H 4.400 . 4.840 4.211 3.963 4.347 . 0 0 "[ . 1 . 2]" 1
239 1 5 VAL H 1 6 GLU H 3.550 . 3.900 2.720 2.615 2.831 . 0 0 "[ . 1 . 2]" 1
240 1 71 THR MG 1 72 LEU H 3.840 . 4.220 2.344 2.139 2.548 . 0 0 "[ . 1 . 2]" 1
241 1 72 LEU H 1 72 LEU MD1 3.940 . 4.330 3.804 3.608 3.932 . 0 0 "[ . 1 . 2]" 1
242 1 12 GLN H 1 14 ILE H 4.240 . 4.660 4.119 3.996 4.273 . 0 0 "[ . 1 . 2]" 1
243 1 90 SER H 1 92 LEU H 4.310 . 4.740 3.970 3.827 4.119 . 0 0 "[ . 1 . 2]" 1
244 1 32 LEU H 1 33 LEU H 3.100 . 3.410 2.587 2.508 2.737 . 0 0 "[ . 1 . 2]" 1
245 1 32 LEU H 1 35 GLN H 5.010 . 5.510 4.650 4.480 4.874 . 0 0 "[ . 1 . 2]" 1
246 1 30 TRP H 1 32 LEU H 4.740 . 5.210 4.418 4.153 4.941 . 0 0 "[ . 1 . 2]" 1
247 1 65 ALA H 1 68 ILE H 4.790 . 5.270 4.584 4.454 4.653 . 0 0 "[ . 1 . 2]" 1
248 1 68 ILE H 1 71 THR H 4.900 . 5.390 4.644 4.563 4.728 . 0 0 "[ . 1 . 2]" 1
249 1 66 GLY H 1 68 ILE H 4.390 . 4.830 3.874 3.745 4.016 . 0 0 "[ . 1 . 2]" 1
250 1 68 ILE H 1 71 THR MG 4.610 . 5.070 4.181 4.046 4.315 . 0 0 "[ . 1 . 2]" 1
251 1 64 VAL MG1 1 68 ILE H 5.540 . 6.090 4.074 3.940 4.188 . 0 0 "[ . 1 . 2]" 1
252 1 64 VAL MG2 1 68 ILE H 5.540 . 6.090 5.599 5.451 5.741 . 0 0 "[ . 1 . 2]" 1
253 1 80 GLY H 1 124 LEU MD2 5.300 . 5.830 4.897 4.681 5.290 . 0 0 "[ . 1 . 2]" 1
254 1 93 ILE H 1 93 ILE MD 3.580 . 3.940 3.529 3.380 3.679 . 0 0 "[ . 1 . 2]" 1
255 1 81 LEU H 1 83 GLN H 4.350 . 4.790 4.136 3.900 4.447 . 0 0 "[ . 1 . 2]" 1
256 1 81 LEU H 1 84 GLN H 5.010 . 5.510 4.848 4.750 4.969 . 0 0 "[ . 1 . 2]" 1
257 1 81 LEU H 1 81 LEU MD2 3.800 . 4.180 4.207 4.093 4.273 0.093 8 0 "[ . 1 . 2]" 1
258 1 82 LEU H 1 85 ARG H 4.900 . 5.390 4.529 4.310 4.690 . 0 0 "[ . 1 . 2]" 1
259 1 30 TRP H 1 30 TRP HB3 3.770 . 4.150 3.639 3.604 3.692 . 0 0 "[ . 1 . 2]" 1
260 1 30 TRP H 1 30 TRP HB2 3.780 . 4.160 2.722 2.644 2.807 . 0 0 "[ . 1 . 2]" 1
261 1 30 TRP H 1 33 LEU MD1 5.510 . 6.060 4.613 4.102 6.256 0.196 8 0 "[ . 1 . 2]" 1
262 1 30 TRP H 1 33 LEU MD2 5.510 . 6.060 5.432 5.010 6.062 0.002 10 0 "[ . 1 . 2]" 1
263 1 30 TRP H 1 30 TRP HE1 4.580 . 5.040 4.605 4.351 4.921 . 0 0 "[ . 1 . 2]" 1
264 1 9 ASN HD21 1 10 ARG H 4.400 . 4.840 4.469 4.260 4.796 . 0 0 "[ . 1 . 2]" 1
265 1 10 ARG H 1 11 TRP HB2 5.190 . 5.710 4.669 4.455 4.868 . 0 0 "[ . 1 . 2]" 1
266 1 134 MET HG3 1 136 LEU H 4.560 . 5.020 4.764 4.592 4.956 . 0 0 "[ . 1 . 2]" 1
267 1 135 ALA MB 1 136 LEU H 3.310 . 3.640 2.795 2.626 3.031 . 0 0 "[ . 1 . 2]" 1
268 1 136 LEU H 1 136 LEU MD2 3.330 . 3.660 3.463 3.237 3.681 0.021 8 0 "[ . 1 . 2]" 1
269 1 11 TRP H 1 67 TYR QD 4.800 . 5.280 4.746 4.561 4.931 . 0 0 "[ . 1 . 2]" 1
270 1 11 TRP H 1 11 TRP HD1 4.270 . 4.700 3.375 3.196 3.713 . 0 0 "[ . 1 . 2]" 1
271 1 11 TRP H 1 64 VAL MG1 5.720 . 6.290 5.173 4.983 5.474 . 0 0 "[ . 1 . 2]" 1
272 1 11 TRP H 1 64 VAL MG2 5.720 . 6.290 4.484 4.248 4.722 . 0 0 "[ . 1 . 2]" 1
273 1 84 GLN H 1 87 ASP H 4.770 . 5.250 4.739 4.582 4.975 . 0 0 "[ . 1 . 2]" 1
274 1 61 GLN H 1 63 MET H 4.980 . 5.480 4.498 4.311 4.651 . 0 0 "[ . 1 . 2]" 1
275 1 61 GLN H 1 63 MET ME 4.630 . 5.090 4.951 4.706 5.112 0.022 14 0 "[ . 1 . 2]" 1
276 1 12 GLN H 1 15 ALA MB 4.650 . 5.120 4.711 4.551 4.976 . 0 0 "[ . 1 . 2]" 1
277 1 87 ASP H 1 89 LEU MD1 5.220 . 5.740 5.311 5.043 5.634 . 0 0 "[ . 1 . 2]" 1
278 1 64 VAL H 1 64 VAL MG2 4.470 . 4.920 2.374 2.287 2.479 . 0 0 "[ . 1 . 2]" 1
279 1 79 LYS H 1 82 LEU H 4.840 . 5.320 4.764 4.608 4.889 . 0 0 "[ . 1 . 2]" 1
280 1 79 LYS H 1 127 LEU MD1 3.990 . 4.390 3.409 2.875 3.788 . 0 0 "[ . 1 . 2]" 1
281 1 79 LYS H 1 82 LEU MD1 4.080 . 4.490 4.188 3.855 4.571 0.081 8 0 "[ . 1 . 2]" 1
282 1 25 ALA MB 1 26 GLN H 3.670 . 4.040 2.606 2.448 2.769 . 0 0 "[ . 1 . 2]" 1
283 1 26 GLN H 1 81 LEU MD1 3.360 . 3.700 3.447 3.154 3.670 . 0 0 "[ . 1 . 2]" 1
284 1 26 GLN H 1 78 LEU MD2 3.810 . 4.810 4.693 4.427 4.895 0.085 20 0 "[ . 1 . 2]" 1
285 1 22 LEU MD1 1 26 GLN H 3.560 . 3.920 3.862 3.634 4.019 0.099 14 0 "[ . 1 . 2]" 1
286 1 72 LEU H 1 75 GLU H 4.820 . 5.300 4.624 4.457 4.749 . 0 0 "[ . 1 . 2]" 1
287 1 70 GLN H 1 72 LEU H 3.970 . 4.370 4.272 4.023 4.396 0.026 3 0 "[ . 1 . 2]" 1
288 1 72 LEU H 1 130 PHE HZ 4.790 . 5.270 5.285 4.897 5.364 0.094 2 0 "[ . 1 . 2]" 1
289 1 78 LEU H 1 81 LEU H 5.040 . 5.540 4.819 4.586 4.951 . 0 0 "[ . 1 . 2]" 1
290 1 14 ILE H 1 17 LEU H 4.710 . 5.180 4.665 4.515 4.786 . 0 0 "[ . 1 . 2]" 1
291 1 22 LEU MD1 1 78 LEU H 3.130 . 3.440 2.896 2.610 3.141 . 0 0 "[ . 1 . 2]" 1
292 1 78 LEU H 1 78 LEU MD2 4.200 . 4.620 3.919 3.751 4.131 . 0 0 "[ . 1 . 2]" 1
293 1 82 LEU H 1 124 LEU MD2 4.370 . 4.810 3.941 3.618 4.175 . 0 0 "[ . 1 . 2]" 1
294 1 81 LEU MD1 1 82 LEU H 4.490 . 4.940 4.658 4.317 4.899 . 0 0 "[ . 1 . 2]" 1
295 1 82 LEU H 1 82 LEU MD1 3.450 . 3.790 3.466 3.311 3.595 . 0 0 "[ . 1 . 2]" 1
296 1 12 GLN H 1 67 TYR QE 4.050 . 4.460 4.147 3.970 4.360 . 0 0 "[ . 1 . 2]" 1
297 1 11 TRP HD1 1 12 GLN H 5.140 . 5.650 5.169 5.006 5.282 . 0 0 "[ . 1 . 2]" 1
298 1 11 TRP HB3 1 12 GLN H 3.920 . 4.310 3.544 3.365 3.699 . 0 0 "[ . 1 . 2]" 1
299 1 11 TRP HB2 1 12 GLN H 3.940 . 4.330 2.854 2.751 3.000 . 0 0 "[ . 1 . 2]" 1
300 1 126 ALA MB 1 128 ASP H 4.830 . 5.310 4.700 4.497 4.918 . 0 0 "[ . 1 . 2]" 1
301 1 21 LEU H 1 21 LEU MD2 3.890 . 4.280 3.550 3.382 3.850 . 0 0 "[ . 1 . 2]" 1
302 1 80 GLY H 1 83 GLN H 4.810 . 5.290 4.662 4.472 4.839 . 0 0 "[ . 1 . 2]" 1
303 1 83 GLN H 1 124 LEU MD2 3.750 . 4.130 3.457 3.058 3.682 . 0 0 "[ . 1 . 2]" 1
304 1 83 GLN H 1 124 LEU MD1 3.540 . 3.890 3.300 3.045 3.549 . 0 0 "[ . 1 . 2]" 1
305 1 84 GLN H 1 86 LEU H 4.170 . 4.590 4.399 4.006 4.587 . 0 0 "[ . 1 . 2]" 1
306 1 86 LEU H 1 86 LEU MD1 3.940 . 4.330 3.683 3.576 3.815 . 0 0 "[ . 1 . 2]" 1
307 1 86 LEU H 1 89 LEU MD1 3.900 . 4.290 4.124 3.803 4.344 0.054 8 0 "[ . 1 . 2]" 1
308 1 32 LEU H 1 32 LEU MD2 3.150 . 3.470 3.350 3.113 3.573 0.103 2 0 "[ . 1 . 2]" 1
309 1 139 ALA H 1 140 VAL MG1 5.850 . 6.430 5.206 4.011 6.250 . 0 0 "[ . 1 . 2]" 1
310 1 139 ALA H 1 140 VAL MG2 5.850 . 6.430 4.376 3.487 6.168 . 0 0 "[ . 1 . 2]" 1
311 1 134 MET ME 1 137 LEU H 4.450 . 4.890 4.910 4.812 5.113 0.223 8 0 "[ . 1 . 2]" 1
312 1 134 MET HG3 1 137 LEU H 5.020 . 5.520 5.259 5.138 5.608 0.088 20 0 "[ . 1 . 2]" 1
313 1 135 ALA MB 1 137 LEU H 4.560 . 5.020 4.555 4.446 4.652 . 0 0 "[ . 1 . 2]" 1
314 1 137 LEU H 1 137 LEU MD2 3.480 . 3.830 3.441 3.229 3.625 . 0 0 "[ . 1 . 2]" 1
315 1 55 GLY H 1 56 ILE H 4.380 . 4.820 3.888 3.461 4.243 . 0 0 "[ . 1 . 2]" 1
316 1 56 ILE H 1 56 ILE MD 4.220 . 4.640 4.239 3.757 4.454 . 0 0 "[ . 1 . 2]" 1
317 1 64 VAL MG1 1 65 ALA H 4.090 . 4.500 3.195 3.034 3.401 . 0 0 "[ . 1 . 2]" 1
318 1 118 THR MG 1 120 LEU H 5.410 . 5.950 5.210 4.385 5.675 . 0 0 "[ . 1 . 2]" 1
319 1 120 LEU H 1 120 LEU MD2 3.660 . 4.030 3.615 3.439 3.740 . 0 0 "[ . 1 . 2]" 1
320 1 85 ARG H 1 88 GLU H 5.220 . 5.740 4.673 4.431 4.852 . 0 0 "[ . 1 . 2]" 1
321 1 88 GLU H 1 89 LEU MD1 5.280 . 5.810 5.437 5.212 5.643 . 0 0 "[ . 1 . 2]" 1
322 1 70 GLN H 1 73 ASP H 4.930 . 5.420 4.828 4.720 4.920 . 0 0 "[ . 1 . 2]" 1
323 1 11 TRP H 1 13 ARG H 4.370 . 4.810 4.246 3.971 4.519 . 0 0 "[ . 1 . 2]" 1
324 1 11 TRP HB2 1 13 ARG H 5.200 . 5.720 5.295 5.145 5.509 . 0 0 "[ . 1 . 2]" 1
325 1 15 ALA MB 1 70 GLN H 4.040 . 4.440 4.407 4.204 4.525 0.085 13 0 "[ . 1 . 2]" 1
326 1 70 GLN H 1 71 THR MG 4.290 . 4.720 4.299 4.091 4.415 . 0 0 "[ . 1 . 2]" 1
327 1 13 ARG H 1 16 LEU MD1 4.400 . 4.840 4.460 3.922 4.838 . 0 0 "[ . 1 . 2]" 1
328 1 13 ARG H 1 14 ILE MD 5.110 . 5.620 5.200 5.027 5.311 . 0 0 "[ . 1 . 2]" 1
329 1 87 ASP H 1 89 LEU H 4.050 . 4.460 4.201 3.905 4.467 0.007 2 0 "[ . 1 . 2]" 1
330 1 89 LEU H 1 91 SER H 4.020 . 4.420 4.173 3.975 4.334 . 0 0 "[ . 1 . 2]" 1
331 1 89 LEU H 1 92 LEU MD2 4.680 . 5.150 5.249 5.197 5.299 0.149 11 0 "[ . 1 . 2]" 1
332 1 89 LEU H 1 92 LEU MD1 5.120 . 5.630 4.201 3.967 4.466 . 0 0 "[ . 1 . 2]" 1
333 1 134 MET ME 1 135 ALA H 4.360 . 4.800 4.181 3.884 4.486 . 0 0 "[ . 1 . 2]" 1
334 1 134 MET HG3 1 135 ALA H 3.560 . 3.920 2.470 2.275 2.776 . 0 0 "[ . 1 . 2]" 1
335 1 132 ALA MB 1 135 ALA H 4.470 . 4.920 4.756 4.658 4.855 . 0 0 "[ . 1 . 2]" 1
336 1 72 LEU MD2 1 135 ALA H 3.980 . 4.380 4.391 4.162 4.543 0.163 8 0 "[ . 1 . 2]" 1
337 1 4 THR MG 1 60 ILE H 4.710 . 5.180 5.084 4.754 5.258 0.078 18 0 "[ . 1 . 2]" 1
338 1 8 ILE MD 1 60 ILE H 4.390 . 4.830 4.374 3.905 4.729 . 0 0 "[ . 1 . 2]" 1
339 1 60 ILE H 1 60 ILE MD 4.040 . 4.440 3.624 3.477 3.737 . 0 0 "[ . 1 . 2]" 1
340 1 67 TYR H 1 68 ILE MD 5.460 . 6.010 5.400 5.306 5.510 . 0 0 "[ . 1 . 2]" 1
341 1 92 LEU H 1 94 GLY H 4.360 . 4.800 3.977 3.626 4.520 . 0 0 "[ . 1 . 2]" 1
342 1 41 LEU H 1 44 ILE H 4.910 . 5.400 4.743 4.686 4.789 . 0 0 "[ . 1 . 2]" 1
343 1 30 TRP HB3 1 31 ASP H 4.020 . 4.420 4.056 3.893 4.292 . 0 0 "[ . 1 . 2]" 1
344 1 30 TRP HB2 1 31 ASP H 3.580 . 3.940 2.941 2.766 3.311 . 0 0 "[ . 1 . 2]" 1
345 1 40 TYR HB3 1 41 LEU H 4.470 . 4.920 2.512 2.439 2.613 . 0 0 "[ . 1 . 2]" 1
346 1 40 TYR HB2 1 41 LEU H 4.230 . 4.650 3.829 3.782 3.913 . 0 0 "[ . 1 . 2]" 1
347 1 41 LEU H 1 41 LEU MD2 4.130 . 4.540 3.172 2.974 3.271 . 0 0 "[ . 1 . 2]" 1
348 1 72 LEU H 1 74 ASN H 4.460 . 4.910 4.229 4.013 4.539 . 0 0 "[ . 1 . 2]" 1
349 1 74 ASN H 1 77 LEU H 5.060 . 5.570 4.806 4.675 4.936 . 0 0 "[ . 1 . 2]" 1
350 1 15 ALA H 1 16 LEU MD1 5.360 . 5.900 5.393 5.097 5.640 . 0 0 "[ . 1 . 2]" 1
351 1 7 PHE H 1 9 ASN H 4.580 . 5.040 4.223 4.010 4.393 . 0 0 "[ . 1 . 2]" 1
352 1 7 PHE H 1 52 THR MG 5.820 . 6.400 4.880 3.737 6.582 0.182 19 0 "[ . 1 . 2]" 1
353 1 36 GLN H 1 36 GLN HE21 4.580 . 5.040 3.189 1.768 3.510 0.032 10 0 "[ . 1 . 2]" 1
354 1 40 TYR QD 1 42 GLN H 5.640 . 6.200 5.775 5.653 5.868 . 0 0 "[ . 1 . 2]" 1
355 1 24 LEU MD1 1 36 GLN H 4.840 . 5.320 5.064 4.165 5.453 0.133 2 0 "[ . 1 . 2]" 1
356 1 21 LEU MD1 1 36 GLN H 5.590 . 6.150 5.220 4.892 5.616 . 0 0 "[ . 1 . 2]" 1
357 1 30 TRP H 1 33 LEU H 4.930 . 5.420 4.915 4.707 5.210 . 0 0 "[ . 1 . 2]" 1
358 1 30 TRP HB3 1 33 LEU H 5.490 . 6.040 5.229 5.016 5.426 . 0 0 "[ . 1 . 2]" 1
359 1 30 TRP HB2 1 33 LEU H 5.450 . 6.000 5.475 5.348 5.582 . 0 0 "[ . 1 . 2]" 1
360 1 106 VAL H 1 106 VAL MG2 4.050 . 4.460 2.615 1.842 3.988 . 0 0 "[ . 1 . 2]" 1
361 1 25 ALA H 1 33 LEU MD1 4.080 . 4.490 3.162 2.592 3.853 . 0 0 "[ . 1 . 2]" 1
362 1 33 LEU H 1 33 LEU MD1 4.610 . 5.070 3.115 2.263 3.998 . 0 0 "[ . 1 . 2]" 1
363 1 25 ALA H 1 33 LEU MD2 4.080 . 4.490 3.411 2.571 4.203 . 0 0 "[ . 1 . 2]" 1
364 1 33 LEU H 1 33 LEU MD2 4.610 . 5.070 3.755 2.947 4.338 . 0 0 "[ . 1 . 2]" 1
365 1 90 SER H 1 92 LEU MD2 5.380 . 5.920 5.949 5.852 5.997 0.077 3 0 "[ . 1 . 2]" 1
366 1 89 LEU MD2 1 90 SER H 4.700 . 5.170 4.747 4.677 4.802 . 0 0 "[ . 1 . 2]" 1
367 1 40 TYR H 1 41 LEU H 4.420 . 4.860 2.616 2.426 2.738 . 0 0 "[ . 1 . 2]" 1
368 1 130 PHE H 1 132 ALA H 4.880 . 5.370 4.300 4.102 4.450 . 0 0 "[ . 1 . 2]" 1
369 1 48 MET ME 1 130 PHE H 4.690 . 5.160 4.604 4.332 4.868 . 0 0 "[ . 1 . 2]" 1
370 1 126 ALA MB 1 130 PHE H 4.510 . 4.960 4.553 4.487 4.645 . 0 0 "[ . 1 . 2]" 1
371 1 71 THR MG 1 73 ASP H 4.400 . 4.840 4.533 4.392 4.649 . 0 0 "[ . 1 . 2]" 1
372 1 72 LEU MD1 1 73 ASP H 4.500 . 4.950 4.785 4.656 4.905 . 0 0 "[ . 1 . 2]" 1
373 1 75 GLU H 1 78 LEU MD1 4.500 . 4.950 4.002 3.761 4.453 . 0 0 "[ . 1 . 2]" 1
374 1 4 THR MG 1 5 VAL H 4.090 . 4.500 3.228 3.044 3.503 . 0 0 "[ . 1 . 2]" 1
375 1 14 ILE H 1 15 ALA MB 4.290 . 4.720 4.290 4.174 4.411 . 0 0 "[ . 1 . 2]" 1
376 1 14 ILE MD 1 44 ILE H 3.630 . 3.990 3.548 3.204 3.751 . 0 0 "[ . 1 . 2]" 1
377 1 35 GLN H 1 36 GLN HE21 4.630 . 5.090 4.970 3.736 5.201 0.111 15 0 "[ . 1 . 2]" 1
378 1 4 THR MG 1 8 ILE H 4.310 . 4.740 4.319 4.060 4.486 . 0 0 "[ . 1 . 2]" 1
379 1 8 ILE H 1 8 ILE MD 3.670 . 4.040 3.543 3.435 3.652 . 0 0 "[ . 1 . 2]" 1
380 1 124 LEU H 1 125 THR H 4.380 . 4.820 2.579 2.339 2.797 . 0 0 "[ . 1 . 2]" 1
381 1 48 MET ME 1 133 LYS H 4.040 . 4.440 4.000 3.782 4.453 0.013 1 0 "[ . 1 . 2]" 1
382 1 40 TYR HB3 1 42 GLN H 4.510 . 4.960 4.901 4.800 5.021 0.061 2 0 "[ . 1 . 2]" 1
383 1 40 TYR HB2 1 42 GLN H 5.420 . 5.960 5.758 5.625 5.895 . 0 0 "[ . 1 . 2]" 1
384 1 41 LEU MD2 1 42 GLN H 4.730 . 5.200 4.688 4.579 4.743 . 0 0 "[ . 1 . 2]" 1
385 1 122 ARG H 1 124 LEU H 4.280 . 4.710 4.217 4.020 4.404 . 0 0 "[ . 1 . 2]" 1
386 1 121 THR H 1 122 ARG H 3.680 . 4.050 2.606 2.470 2.842 . 0 0 "[ . 1 . 2]" 1
387 1 122 ARG H 1 123 TRP H 3.790 . 4.170 2.591 2.527 2.711 . 0 0 "[ . 1 . 2]" 1
388 1 122 ARG H 1 123 TRP HB3 4.470 . 4.920 4.343 4.248 4.462 . 0 0 "[ . 1 . 2]" 1
389 1 121 THR MG 1 122 ARG H 3.960 . 4.360 4.013 3.942 4.116 . 0 0 "[ . 1 . 2]" 1
390 1 130 PHE QD 1 132 ALA H 5.200 . 5.720 5.508 5.385 5.628 . 0 0 "[ . 1 . 2]" 1
391 1 132 ALA H 1 134 MET HG2 5.320 . 5.850 4.986 4.772 5.902 0.052 20 0 "[ . 1 . 2]" 1
392 1 125 THR MG 1 126 ALA H 4.030 . 4.430 2.865 2.411 3.489 . 0 0 "[ . 1 . 2]" 1
393 1 126 ALA H 1 127 LEU MD1 5.170 . 5.690 5.642 5.525 5.718 0.028 9 0 "[ . 1 . 2]" 1
394 1 21 LEU H 1 24 LEU H 4.920 . 5.410 4.724 4.598 4.832 . 0 0 "[ . 1 . 2]" 1
395 1 24 LEU H 1 24 LEU MD1 3.680 . 4.050 3.581 3.388 3.707 . 0 0 "[ . 1 . 2]" 1
396 1 24 LEU H 1 24 LEU MD2 3.540 . 3.890 3.359 3.109 3.625 . 0 0 "[ . 1 . 2]" 1
397 1 15 ALA MB 1 17 LEU H 4.750 . 5.220 4.522 4.430 4.620 . 0 0 "[ . 1 . 2]" 1
398 1 71 THR H 1 73 ASP H 4.390 . 4.830 4.237 4.108 4.438 . 0 0 "[ . 1 . 2]" 1
399 1 38 VAL H 1 41 LEU H 5.100 . 5.610 4.967 4.887 5.039 . 0 0 "[ . 1 . 2]" 1
400 1 38 VAL H 1 40 TYR HB3 5.830 . 6.410 5.494 5.356 5.796 . 0 0 "[ . 1 . 2]" 1
401 1 14 ILE MD 1 45 GLU H 4.710 . 5.180 4.899 4.614 5.162 . 0 0 "[ . 1 . 2]" 1
402 1 44 ILE MD 1 45 GLU H 4.740 . 5.210 4.670 4.594 4.804 . 0 0 "[ . 1 . 2]" 1
403 1 41 LEU H 1 43 SER H 4.570 . 5.030 4.186 3.948 4.313 . 0 0 "[ . 1 . 2]" 1
404 1 17 LEU MD1 1 43 SER H 4.610 . 5.070 4.147 3.913 4.371 . 0 0 "[ . 1 . 2]" 1
405 1 14 ILE MD 1 43 SER H 5.180 . 5.700 5.091 4.851 5.229 . 0 0 "[ . 1 . 2]" 1
406 1 25 ALA MB 1 27 ARG H 4.400 . 4.840 4.489 4.342 4.633 . 0 0 "[ . 1 . 2]" 1
407 1 27 ARG H 1 81 LEU MD2 5.080 . 6.080 5.645 5.203 5.878 . 0 0 "[ . 1 . 2]" 1
408 1 27 ARG H 1 81 LEU MD1 3.990 . 4.990 4.917 4.746 5.026 0.036 11 0 "[ . 1 . 2]" 1
409 1 4 THR MG 1 6 GLU H 5.250 . 5.780 5.113 4.852 5.356 . 0 0 "[ . 1 . 2]" 1
410 1 126 ALA MB 1 127 LEU H 3.670 . 4.040 2.788 2.642 2.903 . 0 0 "[ . 1 . 2]" 1
411 1 125 THR MG 1 127 LEU H 4.440 . 4.880 4.712 4.476 5.057 0.177 2 0 "[ . 1 . 2]" 1
412 1 127 LEU H 1 127 LEU MD1 3.940 . 4.330 3.990 3.914 4.049 . 0 0 "[ . 1 . 2]" 1
413 1 96 VAL H 1 96 VAL MG2 3.870 . 4.260 3.199 1.943 4.061 . 0 0 "[ . 1 . 2]" 1
414 1 41 LEU MD2 1 127 LEU H 4.100 . 4.510 3.914 3.655 4.214 . 0 0 "[ . 1 . 2]" 1
415 1 44 ILE MD 1 127 LEU H 5.570 . 6.130 5.116 4.815 5.426 . 0 0 "[ . 1 . 2]" 1
416 1 23 GLU H 1 26 GLN H 4.800 . 5.280 4.800 4.664 4.933 . 0 0 "[ . 1 . 2]" 1
417 1 23 GLU H 1 25 ALA H 4.320 . 4.750 4.182 4.018 4.387 . 0 0 "[ . 1 . 2]" 1
418 1 23 GLU H 1 25 ALA MB 5.240 . 5.760 4.897 4.752 5.163 . 0 0 "[ . 1 . 2]" 1
419 1 22 LEU MD1 1 23 GLU H 4.190 . 4.610 4.305 4.151 4.532 . 0 0 "[ . 1 . 2]" 1
420 1 23 GLU H 1 78 LEU MD2 4.550 . 5.010 4.886 4.765 5.051 0.041 16 0 "[ . 1 . 2]" 1
421 1 25 ALA MB 1 29 GLU H 4.910 . 5.400 5.272 4.958 5.462 0.062 10 0 "[ . 1 . 2]" 1
422 1 9 ASN H 1 9 ASN HD21 4.210 . 4.630 2.206 1.923 2.719 . 0 0 "[ . 1 . 2]" 1
423 1 9 ASN H 1 11 TRP H 4.780 . 5.260 4.272 4.074 4.385 . 0 0 "[ . 1 . 2]" 1
424 1 9 ASN H 1 9 ASN HD22 4.490 . 4.940 3.806 3.557 4.162 . 0 0 "[ . 1 . 2]" 1
425 1 34 LEU H 1 34 LEU MD2 4.200 . 4.620 3.317 2.946 3.620 . 0 0 "[ . 1 . 2]" 1
426 1 34 LEU H 1 120 LEU MD2 4.220 . 4.640 4.401 3.932 4.672 0.032 19 0 "[ . 1 . 2]" 1
427 1 77 LEU H 1 80 GLY H 5.000 . 5.500 4.793 4.562 5.001 . 0 0 "[ . 1 . 2]" 1
428 1 77 LEU H 1 77 LEU MD2 3.860 . 4.250 3.648 3.298 3.866 . 0 0 "[ . 1 . 2]" 1
429 1 69 LYS H 1 72 LEU H 4.700 . 5.170 4.841 4.683 4.994 . 0 0 "[ . 1 . 2]" 1
430 1 69 LYS H 1 71 THR H 4.470 . 4.920 4.344 4.182 4.488 . 0 0 "[ . 1 . 2]" 1
431 1 66 GLY H 1 69 LYS H 5.020 . 5.520 4.739 4.485 4.934 . 0 0 "[ . 1 . 2]" 1
432 1 67 TYR H 1 69 LYS H 4.220 . 4.640 4.328 4.021 4.571 . 0 0 "[ . 1 . 2]" 1
433 1 67 TYR HB2 1 69 LYS H 5.330 . 5.860 5.335 5.128 5.581 . 0 0 "[ . 1 . 2]" 1
434 1 15 ALA MB 1 69 LYS H 5.450 . 6.000 5.775 5.549 5.947 . 0 0 "[ . 1 . 2]" 1
435 1 69 LYS H 1 71 THR MG 4.140 . 4.550 4.484 4.303 4.614 0.064 2 0 "[ . 1 . 2]" 1
436 1 123 TRP HB3 1 124 LEU H 4.000 . 4.400 2.903 2.586 3.265 . 0 0 "[ . 1 . 2]" 1
437 1 124 LEU H 1 125 THR MG 4.800 . 5.280 4.805 4.102 5.621 0.341 5 0 "[ . 1 . 2]" 1
438 1 120 LEU MD2 1 124 LEU H 4.820 . 5.300 4.908 4.675 5.159 . 0 0 "[ . 1 . 2]" 1
439 1 41 LEU MD2 1 124 LEU H 5.750 . 6.320 5.743 5.349 6.020 . 0 0 "[ . 1 . 2]" 1
440 1 39 SER H 1 40 TYR H 3.920 . 4.310 2.633 2.511 2.851 . 0 0 "[ . 1 . 2]" 1
441 1 39 SER H 1 41 LEU H 5.070 . 5.580 4.275 4.009 4.488 . 0 0 "[ . 1 . 2]" 1
442 1 38 VAL MG2 1 39 SER H 3.710 . 4.080 3.321 2.128 3.833 . 0 0 "[ . 1 . 2]" 1
443 1 129 ASN H 1 130 PHE HB3 5.040 . 5.540 4.640 4.466 4.778 . 0 0 "[ . 1 . 2]" 1
444 1 14 ILE MD 1 46 THR H 5.130 . 5.640 5.018 4.754 5.257 . 0 0 "[ . 1 . 2]" 1
445 1 17 LEU MD1 1 44 ILE H 4.800 . 5.280 4.947 4.726 5.153 . 0 0 "[ . 1 . 2]" 1
446 1 44 ILE H 1 44 ILE MD 4.080 . 4.490 3.723 3.659 3.826 . 0 0 "[ . 1 . 2]" 1
447 1 15 ALA H 1 18 SER H 4.810 . 5.290 4.702 4.572 4.867 . 0 0 "[ . 1 . 2]" 1
448 1 15 ALA MB 1 18 SER H 4.940 . 5.430 4.816 4.560 5.003 . 0 0 "[ . 1 . 2]" 1
449 1 17 LEU MD1 1 18 SER H 4.580 . 5.040 4.550 4.305 4.780 . 0 0 "[ . 1 . 2]" 1
450 1 139 ALA MB 1 140 VAL H 3.260 . 3.590 2.601 1.903 3.668 0.078 4 0 "[ . 1 . 2]" 1
451 1 140 VAL H 1 140 VAL MG1 3.910 . 4.300 3.283 2.055 4.003 . 0 0 "[ . 1 . 2]" 1
452 1 97 LEU H 1 105 LEU MD2 4.090 . 4.500 3.004 1.762 4.556 0.056 16 0 "[ . 1 . 2]" 1
453 1 130 PHE HB3 1 131 GLU H 3.840 . 4.220 2.325 2.224 2.459 . 0 0 "[ . 1 . 2]" 1
454 1 131 GLU H 1 134 MET HG2 4.610 . 5.070 4.101 3.910 4.674 . 0 0 "[ . 1 . 2]" 1
455 1 131 GLU H 1 132 ALA MB 4.620 . 5.080 4.637 4.487 4.801 . 0 0 "[ . 1 . 2]" 1
456 1 72 LEU MD2 1 131 GLU H 5.070 . 5.580 4.054 3.838 4.318 . 0 0 "[ . 1 . 2]" 1
457 1 98 PHE H 1 98 PHE HB2 3.700 . 4.070 3.317 2.484 4.024 . 0 0 "[ . 1 . 2]" 1
458 1 98 PHE H 1 98 PHE HB3 3.700 . 4.070 3.192 2.549 4.006 . 0 0 "[ . 1 . 2]" 1
459 1 95 GLN H 1 96 VAL H 3.800 . 4.180 3.863 1.700 4.403 0.223 2 0 "[ . 1 . 2]" 1
460 1 118 THR MG 1 119 ARG H 3.950 . 4.350 3.295 2.126 4.074 . 0 0 "[ . 1 . 2]" 1
461 1 14 ILE MD 1 48 MET H 4.860 . 5.350 4.559 4.384 4.755 . 0 0 "[ . 1 . 2]" 1
462 1 136 LEU H 1 136 LEU MD1 3.980 . 4.380 3.781 3.657 3.905 . 0 0 "[ . 1 . 2]" 1
463 1 123 TRP H 1 126 ALA H 5.150 . 5.670 4.596 4.434 4.708 . 0 0 "[ . 1 . 2]" 1
464 1 33 LEU H 1 35 GLN H 4.040 . 4.440 3.954 3.803 4.106 . 0 0 "[ . 1 . 2]" 1
465 1 128 ASP H 1 130 PHE H 4.610 . 5.070 4.196 4.014 4.350 . 0 0 "[ . 1 . 2]" 1
466 1 126 ALA H 1 129 ASN H 5.000 . 5.500 4.600 4.380 4.752 . 0 0 "[ . 1 . 2]" 1
467 1 39 SER H 1 40 TYR HB3 5.470 . 6.020 4.855 4.633 5.135 . 0 0 "[ . 1 . 2]" 1
468 1 39 SER H 1 40 TYR HB2 5.240 . 5.760 4.976 4.859 5.194 . 0 0 "[ . 1 . 2]" 1
469 1 22 LEU MD2 1 78 LEU H 3.900 . 4.290 4.307 4.106 4.400 0.110 13 0 "[ . 1 . 2]" 1
470 1 137 LEU H 1 137 LEU MD1 3.620 . 3.980 3.783 3.712 3.832 . 0 0 "[ . 1 . 2]" 1
471 1 97 LEU H 1 105 LEU MD1 4.090 . 4.500 3.635 2.200 4.529 0.029 1 0 "[ . 1 . 2]" 1
472 1 88 GLU H 1 90 SER H 4.470 . 4.920 4.247 4.044 4.451 . 0 0 "[ . 1 . 2]" 1
473 1 90 SER H 1 91 SER H 3.210 . 3.530 2.628 2.532 2.744 . 0 0 "[ . 1 . 2]" 1
474 1 24 LEU H 1 26 GLN H 4.260 . 4.690 4.106 3.847 4.327 . 0 0 "[ . 1 . 2]" 1
475 1 31 ASP H 1 33 LEU H 4.370 . 4.810 3.968 3.680 4.165 . 0 0 "[ . 1 . 2]" 1
476 1 17 LEU H 1 17 LEU MD1 3.730 . 4.100 3.688 3.573 3.774 . 0 0 "[ . 1 . 2]" 1
477 1 85 ARG H 1 89 LEU MD1 5.140 . 5.650 5.660 5.520 5.773 0.123 20 0 "[ . 1 . 2]" 1
478 1 5 VAL H 1 5 VAL MG2 3.820 . 4.200 2.644 1.979 3.832 . 0 0 "[ . 1 . 2]" 1
479 1 117 THR H 1 118 THR H 4.610 . 5.070 2.728 2.637 2.838 . 0 0 "[ . 1 . 2]" 1
480 1 126 ALA MB 1 129 ASN H 4.930 . 5.420 4.599 4.413 4.757 . 0 0 "[ . 1 . 2]" 1
481 1 40 TYR QD 1 41 LEU MD1 5.130 . 5.640 4.616 4.234 4.918 . 0 0 "[ . 1 . 2]" 1
482 1 40 TYR QD 1 44 ILE MD 4.210 . 4.630 3.093 2.930 3.262 . 0 0 "[ . 1 . 2]" 1
483 1 40 TYR H 1 41 LEU MD1 5.790 . 6.370 5.450 5.298 5.551 . 0 0 "[ . 1 . 2]" 1
484 1 41 LEU H 1 41 LEU MD1 4.210 . 4.630 3.757 3.635 3.825 . 0 0 "[ . 1 . 2]" 1
485 1 38 VAL H 1 41 LEU MD1 4.670 . 5.140 4.780 4.380 4.975 . 0 0 "[ . 1 . 2]" 1
486 1 41 LEU MD1 1 42 GLN H 4.670 . 5.140 4.796 4.646 4.928 . 0 0 "[ . 1 . 2]" 1
487 1 41 LEU MD1 1 123 TRP HB3 5.060 . 5.570 4.302 3.720 4.693 . 0 0 "[ . 1 . 2]" 1
488 1 79 LYS H 1 81 LEU MD2 5.820 . 6.400 6.326 6.024 6.477 0.077 20 0 "[ . 1 . 2]" 1
489 1 81 LEU MD2 1 82 LEU H 3.890 . 4.280 3.095 2.850 3.395 . 0 0 "[ . 1 . 2]" 1
490 1 26 GLN H 1 81 LEU MD2 4.090 . 4.500 4.416 3.884 4.568 0.068 8 0 "[ . 1 . 2]" 1
491 1 38 VAL MG1 1 40 TYR H 5.360 . 5.900 4.799 4.226 5.706 . 0 0 "[ . 1 . 2]" 1
492 1 38 VAL H 1 38 VAL MG1 3.830 . 4.210 2.370 1.964 3.822 . 0 0 "[ . 1 . 2]" 1
493 1 38 VAL MG1 1 39 SER H 3.710 . 4.080 2.839 2.017 4.095 0.015 19 0 "[ . 1 . 2]" 1
494 1 30 TRP HZ2 1 81 LEU MD2 4.140 . 4.550 4.063 3.805 4.631 0.081 11 0 "[ . 1 . 2]" 1
495 1 30 TRP HZ3 1 81 LEU MD2 4.290 . 4.720 2.440 2.198 2.865 . 0 0 "[ . 1 . 2]" 1
496 1 78 LEU MD2 1 81 LEU MD2 3.380 . 3.720 3.679 3.476 3.796 0.076 19 0 "[ . 1 . 2]" 1
497 1 22 LEU H 1 25 ALA MB 4.930 . 5.420 4.694 4.588 4.968 . 0 0 "[ . 1 . 2]" 1
498 1 25 ALA MB 1 30 TRP HE3 5.120 . 5.630 4.039 3.546 4.479 . 0 0 "[ . 1 . 2]" 1
499 1 25 ALA MB 1 30 TRP HZ3 4.280 . 4.710 2.632 2.152 3.197 . 0 0 "[ . 1 . 2]" 1
500 1 25 ALA MB 1 82 LEU MD1 3.370 . 3.710 3.081 2.689 3.353 . 0 0 "[ . 1 . 2]" 1
501 1 81 LEU H 1 82 LEU MD1 5.200 . 5.720 5.129 4.984 5.278 . 0 0 "[ . 1 . 2]" 1
502 1 82 LEU MD1 1 123 TRP HD1 4.310 . 4.740 3.091 2.611 3.290 . 0 0 "[ . 1 . 2]" 1
503 1 78 LEU MD1 1 82 LEU MD1 3.510 . 3.860 3.616 3.459 3.806 . 0 0 "[ . 1 . 2]" 1
504 1 25 ALA H 1 81 LEU MD1 4.910 . 5.400 4.803 4.383 5.350 . 0 0 "[ . 1 . 2]" 1
505 1 81 LEU H 1 81 LEU MD1 4.340 . 4.770 4.265 4.183 4.324 . 0 0 "[ . 1 . 2]" 1
506 1 30 TRP HZ3 1 81 LEU MD1 4.300 . 4.730 4.364 4.103 4.742 0.012 11 0 "[ . 1 . 2]" 1
507 1 25 ALA MB 1 81 LEU MD1 3.190 . 3.510 2.545 2.228 3.195 . 0 0 "[ . 1 . 2]" 1
508 1 40 TYR H 1 41 LEU MD2 5.560 . 6.120 5.077 4.838 5.293 . 0 0 "[ . 1 . 2]" 1
509 1 41 LEU MD2 1 123 TRP H 5.610 . 6.170 5.563 5.087 5.897 . 0 0 "[ . 1 . 2]" 1
510 1 41 LEU MD2 1 126 ALA H 4.800 . 5.280 4.440 4.119 4.613 . 0 0 "[ . 1 . 2]" 1
511 1 41 LEU MD2 1 123 TRP HZ3 4.310 . 4.740 3.300 2.934 3.620 . 0 0 "[ . 1 . 2]" 1
512 1 40 TYR QD 1 41 LEU MD2 3.800 . 4.180 2.606 2.247 3.106 . 0 0 "[ . 1 . 2]" 1
513 1 41 LEU MD2 1 123 TRP HB3 4.880 . 5.370 5.177 4.762 5.480 0.110 11 0 "[ . 1 . 2]" 1
514 1 40 TYR HB3 1 41 LEU MD2 4.900 . 5.390 3.518 3.197 3.799 . 0 0 "[ . 1 . 2]" 1
515 1 123 TRP HE1 1 127 LEU MD2 4.680 . 5.150 4.105 3.918 4.432 . 0 0 "[ . 1 . 2]" 1
516 1 79 LYS H 1 127 LEU MD2 5.400 . 5.940 5.661 5.172 6.030 0.090 7 0 "[ . 1 . 2]" 1
517 1 127 LEU H 1 127 LEU MD2 3.890 . 4.280 3.016 2.868 3.271 . 0 0 "[ . 1 . 2]" 1
518 1 127 LEU MD2 1 128 ASP H 4.710 . 5.180 4.515 4.449 4.636 . 0 0 "[ . 1 . 2]" 1
519 1 5 VAL MG1 1 9 ASN HD21 4.530 . 4.980 3.629 2.468 5.089 0.109 14 0 "[ . 1 . 2]" 1
520 1 123 TRP HZ2 1 127 LEU MD2 3.820 . 4.200 3.562 3.381 3.803 . 0 0 "[ . 1 . 2]" 1
521 1 123 TRP HB2 1 127 LEU MD2 5.770 . 6.350 4.863 4.662 5.089 . 0 0 "[ . 1 . 2]" 1
522 1 126 ALA MB 1 127 LEU MD2 4.070 . 4.480 3.317 3.122 3.597 . 0 0 "[ . 1 . 2]" 1
523 1 78 LEU MD1 1 127 LEU MD2 3.610 . 3.970 3.722 3.439 3.959 . 0 0 "[ . 1 . 2]" 1
524 1 41 LEU MD2 1 127 LEU MD2 3.150 . 3.470 2.316 2.019 2.510 . 0 0 "[ . 1 . 2]" 1
525 1 17 LEU MD1 1 40 TYR H 3.720 . 4.090 3.360 3.169 3.587 . 0 0 "[ . 1 . 2]" 1
526 1 17 LEU MD1 1 41 LEU H 5.100 . 5.610 4.831 4.708 4.911 . 0 0 "[ . 1 . 2]" 1
527 1 17 LEU MD1 1 42 GLN H 5.030 . 5.530 5.303 5.025 5.527 . 0 0 "[ . 1 . 2]" 1
528 1 17 LEU MD1 1 39 SER H 4.740 . 5.210 4.996 4.685 5.229 0.019 19 0 "[ . 1 . 2]" 1
529 1 14 ILE H 1 17 LEU MD1 4.550 . 5.010 4.180 3.917 4.376 . 0 0 "[ . 1 . 2]" 1
530 1 17 LEU MD1 1 40 TYR QE 4.670 . 5.140 4.230 3.989 4.439 . 0 0 "[ . 1 . 2]" 1
531 1 17 LEU MD1 1 40 TYR HB3 4.460 . 4.910 4.078 3.930 4.200 . 0 0 "[ . 1 . 2]" 1
532 1 17 LEU MD1 1 40 TYR HB2 3.850 . 4.230 2.865 2.648 3.041 . 0 0 "[ . 1 . 2]" 1
533 1 78 LEU MD2 1 79 LYS H 4.850 . 5.330 4.587 4.297 4.770 . 0 0 "[ . 1 . 2]" 1
534 1 78 LEU MD2 1 82 LEU H 4.430 . 4.870 4.722 4.463 4.952 0.082 16 0 "[ . 1 . 2]" 1
535 1 25 ALA H 1 78 LEU MD2 4.030 . 4.430 3.531 3.299 3.699 . 0 0 "[ . 1 . 2]" 1
536 1 78 LEU MD2 1 123 TRP HZ2 4.220 . 4.640 2.649 2.059 3.187 . 0 0 "[ . 1 . 2]" 1
537 1 30 TRP HZ3 1 78 LEU MD2 4.480 . 4.930 4.701 4.339 5.087 0.157 10 0 "[ . 1 . 2]" 1
538 1 33 LEU MD2 1 78 LEU MD2 3.190 . 3.510 2.579 2.320 3.047 . 0 0 "[ . 1 . 2]" 1
539 1 78 LEU MD1 1 82 LEU H 6.420 . 7.060 6.601 6.412 6.792 . 0 0 "[ . 1 . 2]" 1
540 1 78 LEU H 1 78 LEU MD1 4.530 . 4.980 3.740 3.616 3.906 . 0 0 "[ . 1 . 2]" 1
541 1 23 GLU H 1 78 LEU MD1 4.860 . 5.350 5.418 5.308 5.486 0.136 16 0 "[ . 1 . 2]" 1
542 1 78 LEU MD1 1 123 TRP HZ2 4.150 . 4.570 2.248 1.803 2.584 . 0 0 "[ . 1 . 2]" 1
543 1 40 TYR QD 1 78 LEU MD1 4.170 . 4.590 4.404 4.012 4.585 . 0 0 "[ . 1 . 2]" 1
544 1 40 TYR QE 1 78 LEU MD1 3.900 . 4.290 3.646 3.304 3.943 . 0 0 "[ . 1 . 2]" 1
545 1 21 LEU MD1 1 78 LEU MD1 4.010 . 4.410 2.954 2.731 3.298 . 0 0 "[ . 1 . 2]" 1
546 1 33 LEU MD2 1 78 LEU MD1 3.870 . 4.260 4.037 3.506 4.470 0.210 19 0 "[ . 1 . 2]" 1
547 1 44 ILE MD 1 78 LEU MD1 5.320 . 5.850 5.405 5.157 5.669 . 0 0 "[ . 1 . 2]" 1
548 1 22 LEU MD2 1 23 GLU H 4.330 . 4.760 4.180 3.995 4.457 . 0 0 "[ . 1 . 2]" 1
549 1 77 LEU MD1 1 78 LEU H 4.650 . 5.120 4.657 4.545 4.878 . 0 0 "[ . 1 . 2]" 1
550 1 77 LEU H 1 77 LEU MD1 3.570 . 3.930 3.611 3.465 3.753 . 0 0 "[ . 1 . 2]" 1
551 1 26 GLN HE21 1 77 LEU MD1 4.310 . 4.740 3.722 3.213 4.218 . 0 0 "[ . 1 . 2]" 1
552 1 26 GLN HE22 1 77 LEU MD1 4.310 . 4.740 4.087 3.104 4.760 0.020 10 0 "[ . 1 . 2]" 1
553 1 82 LEU H 1 124 LEU MD1 5.110 . 5.620 4.779 4.466 4.994 . 0 0 "[ . 1 . 2]" 1
554 1 124 LEU H 1 124 LEU MD1 3.900 . 4.290 3.852 3.666 3.928 . 0 0 "[ . 1 . 2]" 1
555 1 86 LEU H 1 124 LEU MD1 5.170 . 5.690 4.469 4.128 4.801 . 0 0 "[ . 1 . 2]" 1
556 1 121 THR H 1 124 LEU MD1 5.600 . 6.160 4.904 4.613 5.183 . 0 0 "[ . 1 . 2]" 1
557 1 84 GLN H 1 124 LEU MD1 5.440 . 5.980 4.974 4.804 5.203 . 0 0 "[ . 1 . 2]" 1
558 1 123 TRP HD1 1 124 LEU MD1 3.960 . 4.360 3.903 3.751 4.057 . 0 0 "[ . 1 . 2]" 1
559 1 123 TRP HB3 1 124 LEU MD1 5.540 . 6.090 5.351 5.083 5.622 . 0 0 "[ . 1 . 2]" 1
560 1 82 LEU MD1 1 124 LEU MD1 3.890 . 4.280 4.192 3.817 4.364 0.084 17 0 "[ . 1 . 2]" 1
561 1 82 LEU MD2 1 124 LEU MD1 4.260 . 4.690 4.378 4.102 4.550 . 0 0 "[ . 1 . 2]" 1
562 1 123 TRP HE1 1 127 LEU MD1 4.790 . 5.270 2.367 2.202 2.594 . 0 0 "[ . 1 . 2]" 1
563 1 127 LEU MD1 1 128 ASP H 4.430 . 4.870 4.585 4.459 4.713 . 0 0 "[ . 1 . 2]" 1
564 1 124 LEU H 1 127 LEU MD1 4.440 . 4.880 4.667 4.509 4.818 . 0 0 "[ . 1 . 2]" 1
565 1 123 TRP HD1 1 127 LEU MD1 4.020 . 4.420 3.509 3.296 3.704 . 0 0 "[ . 1 . 2]" 1
566 1 123 TRP HZ2 1 127 LEU MD1 4.100 . 4.510 2.853 2.777 3.092 . 0 0 "[ . 1 . 2]" 1
567 1 123 TRP HZ3 1 127 LEU MD1 4.880 . 5.370 5.113 4.803 5.375 0.005 15 0 "[ . 1 . 2]" 1
568 1 40 TYR QD 1 127 LEU MD1 4.320 . 4.750 4.518 4.081 4.789 0.039 9 0 "[ . 1 . 2]" 1
569 1 40 TYR QE 1 127 LEU MD1 3.970 . 4.370 3.553 3.157 3.800 . 0 0 "[ . 1 . 2]" 1
570 1 123 TRP HB2 1 127 LEU MD1 5.060 . 5.570 5.307 5.106 5.412 . 0 0 "[ . 1 . 2]" 1
571 1 123 TRP HB3 1 127 LEU MD1 5.170 . 5.690 5.168 4.894 5.342 . 0 0 "[ . 1 . 2]" 1
572 1 78 LEU MD1 1 127 LEU MD1 3.510 . 3.860 3.175 2.897 3.355 . 0 0 "[ . 1 . 2]" 1
573 1 82 LEU MD1 1 127 LEU MD1 2.890 . 3.180 3.060 2.824 3.222 0.042 5 0 "[ . 1 . 2]" 1
574 1 41 LEU MD2 1 127 LEU MD1 4.020 . 4.420 4.311 4.033 4.472 0.052 1 0 "[ . 1 . 2]" 1
575 1 82 LEU MD2 1 123 TRP HE1 4.780 . 5.260 3.877 3.616 4.102 . 0 0 "[ . 1 . 2]" 1
576 1 82 LEU H 1 82 LEU MD2 4.160 . 4.580 3.859 3.647 3.992 . 0 0 "[ . 1 . 2]" 1
577 1 82 LEU MD2 1 83 GLN H 4.870 . 5.360 4.904 4.811 4.985 . 0 0 "[ . 1 . 2]" 1
578 1 89 LEU H 1 89 LEU MD2 3.820 . 4.200 3.368 3.143 3.665 . 0 0 "[ . 1 . 2]" 1
579 1 25 ALA H 1 82 LEU MD2 5.320 . 5.850 5.648 4.846 5.896 0.046 14 0 "[ . 1 . 2]" 1
580 1 82 LEU MD2 1 123 TRP HZ2 4.570 . 5.030 5.100 5.037 5.268 0.238 15 0 "[ . 1 . 2]" 1
581 1 30 TRP HZ3 1 82 LEU MD2 3.250 . 3.580 2.187 2.033 2.387 . 0 0 "[ . 1 . 2]" 1
582 1 30 TRP HB3 1 82 LEU MD2 4.390 . 4.830 4.541 4.217 4.855 0.025 7 0 "[ . 1 . 2]" 1
583 1 82 LEU MD2 1 86 LEU MD1 3.500 . 3.850 3.826 3.594 3.977 0.127 5 0 "[ . 1 . 2]" 1
584 1 82 LEU MD2 1 86 LEU MD2 3.720 . 4.090 4.005 3.710 4.143 0.053 20 0 "[ . 1 . 2]" 1
585 1 33 LEU MD2 1 82 LEU MD2 4.170 . 4.590 2.811 1.941 4.142 . 0 0 "[ . 1 . 2]" 1
586 1 21 LEU MD2 1 36 GLN H 5.590 . 6.150 3.623 3.385 3.855 . 0 0 "[ . 1 . 2]" 1
587 1 21 LEU MD2 1 22 LEU H 5.060 . 5.570 4.840 4.761 4.908 . 0 0 "[ . 1 . 2]" 1
588 1 21 LEU MD2 1 40 TYR HB3 4.870 . 5.360 4.786 4.541 5.037 . 0 0 "[ . 1 . 2]" 1
589 1 21 LEU MD2 1 40 TYR HB2 4.440 . 4.880 4.091 3.790 4.312 . 0 0 "[ . 1 . 2]" 1
590 1 134 MET H 1 135 ALA MB 4.460 . 4.910 4.158 4.060 4.218 . 0 0 "[ . 1 . 2]" 1
591 1 132 ALA H 1 135 ALA MB 4.790 . 5.270 4.739 4.628 4.829 . 0 0 "[ . 1 . 2]" 1
592 1 135 ALA H 1 135 ALA MB 2.990 . 3.290 2.275 2.253 2.305 . 0 0 "[ . 1 . 2]" 1
593 1 134 MET ME 1 135 ALA MB 4.750 . 5.220 4.441 3.991 4.840 . 0 0 "[ . 1 . 2]" 1
594 1 134 MET HG3 1 135 ALA MB 4.020 . 4.420 3.457 3.253 3.669 . 0 0 "[ . 1 . 2]" 1
595 1 77 LEU MD2 1 78 LEU H 4.790 . 5.270 4.808 4.716 4.870 . 0 0 "[ . 1 . 2]" 1
596 1 26 GLN HE22 1 77 LEU MD2 3.650 . 4.020 3.818 3.472 4.217 0.197 11 0 "[ . 1 . 2]" 1
597 1 79 LYS H 1 124 LEU MD2 4.860 . 5.350 4.265 3.933 4.549 . 0 0 "[ . 1 . 2]" 1
598 1 124 LEU H 1 124 LEU MD2 3.710 . 4.080 3.434 3.294 3.572 . 0 0 "[ . 1 . 2]" 1
599 1 123 TRP HD1 1 124 LEU MD2 3.920 . 4.310 2.355 2.078 2.662 . 0 0 "[ . 1 . 2]" 1
600 1 30 TRP HZ3 1 124 LEU MD2 6.070 . 6.680 6.745 6.664 6.850 0.170 3 0 "[ . 1 . 2]" 1
601 1 123 TRP HB2 1 124 LEU MD2 5.390 . 5.930 5.409 5.219 5.592 . 0 0 "[ . 1 . 2]" 1
602 1 123 TRP HB3 1 124 LEU MD2 4.820 . 5.300 4.503 4.213 4.808 . 0 0 "[ . 1 . 2]" 1
603 1 82 LEU MD2 1 124 LEU MD2 3.410 . 3.750 3.806 3.625 3.934 0.184 17 0 "[ . 1 . 2]" 1
604 1 125 THR H 1 126 ALA MB 4.490 . 4.940 4.314 4.164 4.472 . 0 0 "[ . 1 . 2]" 1
605 1 123 TRP H 1 126 ALA MB 4.930 . 5.420 4.585 4.408 4.774 . 0 0 "[ . 1 . 2]" 1
606 1 126 ALA H 1 126 ALA MB 3.450 . 3.790 2.260 2.237 2.285 . 0 0 "[ . 1 . 2]" 1
607 1 123 TRP HD1 1 126 ALA MB 6.230 . 6.850 5.967 5.786 6.150 . 0 0 "[ . 1 . 2]" 1
608 1 41 LEU MD2 1 126 ALA MB 3.370 . 3.710 2.049 1.888 2.175 . 0 0 "[ . 1 . 2]" 1
609 1 44 ILE MD 1 126 ALA MB 4.770 . 5.250 3.967 3.506 4.202 . 0 0 "[ . 1 . 2]" 1
610 1 22 LEU MD1 1 79 LYS H 4.990 . 5.490 5.168 4.862 5.457 . 0 0 "[ . 1 . 2]" 1
611 1 22 LEU MD1 1 76 GLN H 6.000 . 6.600 5.653 5.365 6.076 . 0 0 "[ . 1 . 2]" 1
612 1 22 LEU MD1 1 25 ALA H 4.590 . 5.050 4.411 4.182 4.593 . 0 0 "[ . 1 . 2]" 1
613 1 22 LEU MD1 1 26 GLN HE21 3.470 . 3.820 1.996 1.768 2.767 0.032 6 0 "[ . 1 . 2]" 1
614 1 22 LEU MD1 1 26 GLN HE22 3.470 . 3.820 3.216 2.784 3.811 . 0 0 "[ . 1 . 2]" 1
615 1 22 LEU MD1 1 25 ALA MB 3.510 . 3.860 2.894 2.645 3.075 . 0 0 "[ . 1 . 2]" 1
616 1 22 LEU MD1 1 77 LEU MD1 2.840 . 3.120 2.764 2.518 3.046 . 0 0 "[ . 1 . 2]" 1
617 1 22 LEU MD1 1 78 LEU MD2 3.210 . 3.530 3.071 2.800 3.300 . 0 0 "[ . 1 . 2]" 1
618 1 11 TRP HE1 1 68 ILE MD 3.990 . 4.390 3.947 3.601 4.160 . 0 0 "[ . 1 . 2]" 1
619 1 68 ILE H 1 68 ILE MD 3.990 . 4.390 3.853 3.757 3.967 . 0 0 "[ . 1 . 2]" 1
620 1 65 ALA H 1 68 ILE MD 4.500 . 4.950 4.054 3.817 4.331 . 0 0 "[ . 1 . 2]" 1
621 1 68 ILE MD 1 69 LYS H 4.780 . 5.260 4.755 4.600 4.955 . 0 0 "[ . 1 . 2]" 1
622 1 7 PHE QE 1 68 ILE MD 4.410 . 4.850 4.477 4.103 4.869 0.019 16 0 "[ . 1 . 2]" 1
623 1 11 TRP HH2 1 68 ILE MD 4.210 . 4.630 4.041 3.858 4.265 . 0 0 "[ . 1 . 2]" 1
624 1 11 TRP HD1 1 68 ILE MD 4.600 . 5.060 4.949 4.584 5.146 0.086 8 0 "[ . 1 . 2]" 1
625 1 67 TYR HB2 1 68 ILE MD 5.050 . 5.560 4.968 4.839 5.076 . 0 0 "[ . 1 . 2]" 1
626 1 68 ILE MD 1 140 VAL MG2 3.560 . 3.920 2.606 1.809 4.018 0.098 2 0 "[ . 1 . 2]" 1
627 1 64 VAL MG2 1 68 ILE MD 4.060 . 4.470 4.434 4.298 4.514 0.044 7 0 "[ . 1 . 2]" 1
628 1 7 PHE QE 1 60 ILE MD 5.120 . 5.630 5.367 4.883 5.704 0.074 19 0 "[ . 1 . 2]" 1
629 1 7 PHE QD 1 60 ILE MD 4.070 . 4.480 4.257 3.680 4.564 0.084 5 0 "[ . 1 . 2]" 1
630 1 4 THR MG 1 60 ILE MD 2.700 . 2.970 2.066 1.947 2.213 . 0 0 "[ . 1 . 2]" 1
631 1 56 ILE MD 1 60 ILE MD 3.560 . 3.920 2.367 1.993 3.040 . 0 0 "[ . 1 . 2]" 1
632 1 14 ILE H 1 14 ILE MD 3.970 . 4.370 3.550 3.481 3.683 . 0 0 "[ . 1 . 2]" 1
633 1 14 ILE MD 1 47 VAL H 3.990 . 4.390 3.611 3.346 3.770 . 0 0 "[ . 1 . 2]" 1
634 1 11 TRP HH2 1 14 ILE MD 4.270 . 4.700 4.391 4.097 4.691 . 0 0 "[ . 1 . 2]" 1
635 1 14 ILE MD 1 40 TYR QD 5.330 . 5.860 5.137 4.934 5.300 . 0 0 "[ . 1 . 2]" 1
636 1 14 ILE MD 1 40 TYR QE 4.840 . 5.320 4.717 4.409 4.854 . 0 0 "[ . 1 . 2]" 1
637 1 14 ILE MD 1 67 TYR HB2 5.610 . 6.170 6.038 5.723 6.228 0.058 14 0 "[ . 1 . 2]" 1
638 1 14 ILE MD 1 48 MET ME 5.650 . 6.210 5.023 4.762 5.237 . 0 0 "[ . 1 . 2]" 1
639 1 14 ILE MD 1 15 ALA MB 5.280 . 5.810 5.358 5.145 5.462 . 0 0 "[ . 1 . 2]" 1
640 1 14 ILE MD 1 44 ILE MD 4.410 . 4.850 4.139 3.856 4.449 . 0 0 "[ . 1 . 2]" 1
641 1 11 TRP HE1 1 47 VAL MG1 4.860 . 5.350 4.123 3.945 4.224 . 0 0 "[ . 1 . 2]" 1
642 1 11 TRP HH2 1 47 VAL MG1 4.060 . 4.470 3.387 3.302 3.528 . 0 0 "[ . 1 . 2]" 1
643 1 47 VAL MG1 1 134 MET ME 4.930 . 5.420 4.804 4.659 4.932 . 0 0 "[ . 1 . 2]" 1
644 1 47 VAL MG1 1 71 THR MG 5.410 . 5.950 4.920 4.745 5.040 . 0 0 "[ . 1 . 2]" 1
645 1 46 THR MG 1 47 VAL MG1 4.450 . 4.890 4.037 3.847 4.384 . 0 0 "[ . 1 . 2]" 1
646 1 47 VAL MG1 1 68 ILE MD 5.520 . 6.070 5.496 5.282 5.696 . 0 0 "[ . 1 . 2]" 1
647 1 44 ILE MD 1 71 THR MG 4.420 . 4.860 4.952 4.880 5.022 0.162 2 0 "[ . 1 . 2]" 1
648 1 44 ILE MD 1 127 LEU MD2 3.100 . 3.410 2.792 2.493 3.106 . 0 0 "[ . 1 . 2]" 1
649 1 41 LEU MD2 1 44 ILE MD 3.200 . 3.520 2.136 1.905 2.381 . 0 0 "[ . 1 . 2]" 1
650 1 8 ILE MD 1 9 ASN H 4.340 . 4.770 4.635 4.510 4.835 0.065 12 0 "[ . 1 . 2]" 1
651 1 7 PHE H 1 8 ILE MD 5.140 . 5.650 5.320 5.156 5.593 . 0 0 "[ . 1 . 2]" 1
652 1 8 ILE MD 1 9 ASN HD21 4.330 . 4.760 4.402 4.041 4.752 . 0 0 "[ . 1 . 2]" 1
653 1 8 ILE MD 1 9 ASN HD22 5.300 . 5.830 4.857 4.272 5.359 . 0 0 "[ . 1 . 2]" 1
654 1 8 ILE MD 1 67 TYR QE 5.710 . 6.280 4.564 4.307 4.880 . 0 0 "[ . 1 . 2]" 1
655 1 7 PHE HB3 1 8 ILE MD 4.470 . 4.920 4.336 4.145 4.534 . 0 0 "[ . 1 . 2]" 1
656 1 56 ILE MD 1 61 GLN H 4.420 . 4.860 4.179 2.921 4.931 0.071 6 0 "[ . 1 . 2]" 1
657 1 56 ILE MD 1 57 THR H 3.170 . 3.490 2.772 2.223 3.392 . 0 0 "[ . 1 . 2]" 1
658 1 7 PHE QD 1 56 ILE MD 3.520 . 3.870 3.694 3.104 4.041 0.171 2 0 "[ . 1 . 2]" 1
659 1 52 THR MG 1 56 ILE MD 3.120 . 3.430 2.615 2.120 3.273 . 0 0 "[ . 1 . 2]" 1
660 1 63 MET ME 1 64 VAL H 4.040 . 4.440 4.026 3.844 4.190 . 0 0 "[ . 1 . 2]" 1
661 1 63 MET H 1 63 MET ME 3.600 . 3.960 3.523 3.286 3.673 . 0 0 "[ . 1 . 2]" 1
662 1 4 THR MG 1 63 MET ME 3.720 . 4.090 4.004 3.596 4.227 0.137 20 0 "[ . 1 . 2]" 1
663 1 8 ILE MD 1 63 MET ME 2.570 . 2.830 1.916 1.773 1.989 0.027 16 0 "[ . 1 . 2]" 1
664 1 15 ALA MB 1 16 LEU H 3.610 . 3.970 2.461 2.312 2.594 . 0 0 "[ . 1 . 2]" 1
665 1 15 ALA MB 1 67 TYR H 4.550 . 5.010 4.580 4.448 4.798 . 0 0 "[ . 1 . 2]" 1
666 1 15 ALA MB 1 67 TYR QD 3.900 . 4.290 2.593 2.316 2.866 . 0 0 "[ . 1 . 2]" 1
667 1 15 ALA MB 1 67 TYR QE 4.080 . 4.490 4.021 3.684 4.321 . 0 0 "[ . 1 . 2]" 1
668 1 15 ALA MB 1 67 TYR HB2 4.480 . 4.930 3.715 3.596 3.925 . 0 0 "[ . 1 . 2]" 1
669 1 132 ALA H 1 132 ALA MB 3.040 . 3.340 2.243 2.219 2.273 . 0 0 "[ . 1 . 2]" 1
670 1 132 ALA MB 1 133 LYS H 3.190 . 3.510 2.264 2.133 2.395 . 0 0 "[ . 1 . 2]" 1
671 1 48 MET ME 1 132 ALA MB 5.340 . 5.870 5.371 5.081 5.811 . 0 0 "[ . 1 . 2]" 1
672 1 132 ALA MB 1 136 LEU MD1 3.960 . 4.360 3.290 2.889 3.692 . 0 0 "[ . 1 . 2]" 1
673 1 30 TRP HE3 1 33 LEU MD2 4.770 . 5.250 3.062 1.823 4.671 . 0 0 "[ . 1 . 2]" 1
674 1 25 ALA MB 1 33 LEU MD2 3.530 . 3.880 2.256 1.832 3.095 . 0 0 "[ . 1 . 2]" 1
675 1 139 ALA H 1 139 ALA MB 3.060 . 3.370 2.460 2.249 2.949 . 0 0 "[ . 1 . 2]" 1
676 1 92 LEU H 1 92 LEU MD2 4.590 . 5.050 3.057 2.912 3.219 . 0 0 "[ . 1 . 2]" 1
677 1 89 LEU H 1 89 LEU MD1 4.400 . 4.840 3.661 3.537 3.767 . 0 0 "[ . 1 . 2]" 1
678 1 30 TRP HB3 1 89 LEU MD1 5.690 . 6.260 5.451 5.026 6.013 . 0 0 "[ . 1 . 2]" 1
679 1 89 LEU MD1 1 117 THR MG 4.590 . 5.050 3.776 3.303 4.792 . 0 0 "[ . 1 . 2]" 1
680 1 86 LEU MD2 1 89 LEU MD1 3.030 . 3.330 2.086 1.778 2.792 0.022 9 0 "[ . 1 . 2]" 1
681 1 11 TRP HE1 1 47 VAL MG2 4.860 . 5.350 2.683 2.482 2.905 . 0 0 "[ . 1 . 2]" 1
682 1 11 TRP HH2 1 47 VAL MG2 4.060 . 4.470 4.549 4.437 4.676 0.206 3 0 "[ . 1 . 2]" 1
683 1 47 VAL MG2 1 134 MET ME 4.930 . 5.420 5.495 5.381 5.564 0.144 4 0 "[ . 1 . 2]" 1
684 1 47 VAL MG2 1 71 THR MG 5.410 . 5.950 5.767 5.573 5.945 . 0 0 "[ . 1 . 2]" 1
685 1 46 THR MG 1 47 VAL MG2 4.450 . 4.890 4.152 3.957 4.298 . 0 0 "[ . 1 . 2]" 1
686 1 116 MET ME 1 117 THR H 4.490 . 4.940 3.591 3.249 4.599 . 0 0 "[ . 1 . 2]" 1
687 1 116 MET H 1 116 MET ME 4.990 . 5.490 4.081 3.904 4.399 . 0 0 "[ . 1 . 2]" 1
688 1 89 LEU MD1 1 116 MET ME 3.120 . 3.430 2.454 1.970 3.462 0.032 15 0 "[ . 1 . 2]" 1
689 1 21 LEU H 1 21 LEU MD1 3.890 . 4.280 3.526 3.354 3.639 . 0 0 "[ . 1 . 2]" 1
690 1 21 LEU MD1 1 123 TRP HZ3 4.230 . 4.650 3.118 2.326 3.654 . 0 0 "[ . 1 . 2]" 1
691 1 21 LEU MD1 1 40 TYR HB3 4.870 . 5.360 3.104 2.930 3.252 . 0 0 "[ . 1 . 2]" 1
692 1 21 LEU MD1 1 40 TYR HB2 4.440 . 4.880 2.214 2.002 2.356 . 0 0 "[ . 1 . 2]" 1
693 1 17 LEU MD2 1 21 LEU MD1 3.930 . 4.320 3.261 2.960 3.551 . 0 0 "[ . 1 . 2]" 1
694 1 30 TRP HE3 1 33 LEU MD1 4.770 . 5.250 2.842 1.757 4.103 0.043 17 0 "[ . 1 . 2]" 1
695 1 25 ALA MB 1 33 LEU MD1 3.530 . 3.880 2.549 2.131 2.941 . 0 0 "[ . 1 . 2]" 1
696 1 21 LEU H 1 24 LEU MD1 4.530 . 4.980 3.799 3.474 4.213 . 0 0 "[ . 1 . 2]" 1
697 1 24 LEU MD1 1 33 LEU H 3.580 . 3.940 3.735 2.773 4.115 0.175 2 0 "[ . 1 . 2]" 1
698 1 24 LEU MD1 1 36 GLN HE22 3.310 . 3.640 2.062 1.792 3.186 0.008 8 0 "[ . 1 . 2]" 1
699 1 24 LEU MD1 1 36 GLN HE21 3.350 . 3.690 2.830 2.152 3.665 . 0 0 "[ . 1 . 2]" 1
700 1 11 TRP HE1 1 134 MET ME 5.280 . 5.810 5.279 5.093 5.410 . 0 0 "[ . 1 . 2]" 1
701 1 11 TRP HZ2 1 134 MET ME 3.170 . 3.490 3.324 3.087 3.496 0.006 4 0 "[ . 1 . 2]" 1
702 1 130 PHE QE 1 134 MET ME 3.480 . 3.830 3.895 3.472 3.994 0.164 12 0 "[ . 1 . 2]" 1
703 1 11 TRP HH2 1 134 MET ME 3.420 . 3.760 2.305 2.181 2.458 . 0 0 "[ . 1 . 2]" 1
704 1 48 MET ME 1 134 MET ME 3.910 . 4.300 4.302 4.088 4.415 0.115 5 0 "[ . 1 . 2]" 1
705 1 134 MET ME 1 134 MET HG3 2.770 . 3.050 2.586 2.508 3.355 0.305 20 0 "[ . 1 . 2]" 1
706 1 71 THR MG 1 134 MET ME 3.890 . 4.280 3.757 3.220 4.069 . 0 0 "[ . 1 . 2]" 1
707 1 68 ILE MD 1 134 MET ME 3.100 . 3.410 2.212 2.001 2.428 . 0 0 "[ . 1 . 2]" 1
708 1 65 ALA MB 1 68 ILE H 4.750 . 5.220 4.468 4.363 4.574 . 0 0 "[ . 1 . 2]" 1
709 1 65 ALA H 1 65 ALA MB 3.100 . 3.410 2.284 2.268 2.309 . 0 0 "[ . 1 . 2]" 1
710 1 65 ALA MB 1 69 LYS H 4.880 . 5.370 4.421 4.282 4.554 . 0 0 "[ . 1 . 2]" 1
711 1 65 ALA MB 1 66 GLY H 3.610 . 3.970 2.736 2.614 2.879 . 0 0 "[ . 1 . 2]" 1
712 1 65 ALA MB 1 67 TYR H 4.690 . 5.160 4.713 4.597 4.874 . 0 0 "[ . 1 . 2]" 1
713 1 65 ALA MB 1 68 ILE MD 4.210 . 4.630 3.462 3.064 3.837 . 0 0 "[ . 1 . 2]" 1
714 1 24 LEU MD2 1 32 LEU H 4.790 . 5.270 4.783 3.767 5.311 0.041 16 0 "[ . 1 . 2]" 1
715 1 24 LEU MD2 1 29 GLU H 4.780 . 5.260 4.368 4.073 4.872 . 0 0 "[ . 1 . 2]" 1
716 1 24 LEU MD2 1 36 GLN HE22 3.880 . 4.270 4.085 3.348 4.361 0.091 10 0 "[ . 1 . 2]" 1
717 1 11 TRP HE1 1 64 VAL MG1 4.030 . 4.430 2.939 2.728 3.127 . 0 0 "[ . 1 . 2]" 1
718 1 64 VAL H 1 64 VAL MG1 4.470 . 4.920 3.750 3.708 3.774 . 0 0 "[ . 1 . 2]" 1
719 1 7 PHE QE 1 64 VAL MG1 3.350 . 3.690 2.243 1.953 2.608 . 0 0 "[ . 1 . 2]" 1
720 1 7 PHE QD 1 64 VAL MG1 4.090 . 4.500 3.575 3.189 4.096 . 0 0 "[ . 1 . 2]" 1
721 1 64 VAL MG1 1 67 TYR QD 4.320 . 4.750 3.946 3.618 4.328 . 0 0 "[ . 1 . 2]" 1
722 1 11 TRP HD1 1 64 VAL MG1 3.600 . 3.960 2.698 2.584 2.806 . 0 0 "[ . 1 . 2]" 1
723 1 11 TRP HB2 1 64 VAL MG1 4.350 . 4.790 3.532 3.259 3.838 . 0 0 "[ . 1 . 2]" 1
724 1 64 VAL MG1 1 65 ALA MB 5.080 . 5.590 3.838 3.641 4.085 . 0 0 "[ . 1 . 2]" 1
725 1 48 MET ME 1 134 MET H 3.740 . 4.110 3.047 2.855 3.334 . 0 0 "[ . 1 . 2]" 1
726 1 48 MET ME 1 134 MET HG2 3.910 . 4.300 3.851 3.580 4.103 . 0 0 "[ . 1 . 2]" 1
727 1 11 TRP HE1 1 64 VAL MG2 4.030 . 4.430 3.992 3.627 4.388 . 0 0 "[ . 1 . 2]" 1
728 1 64 VAL MG2 1 65 ALA H 4.090 . 4.500 4.092 4.030 4.159 . 0 0 "[ . 1 . 2]" 1
729 1 7 PHE QE 1 64 VAL MG2 3.350 . 3.690 2.542 2.173 2.781 . 0 0 "[ . 1 . 2]" 1
730 1 7 PHE QD 1 64 VAL MG2 4.090 . 4.500 2.205 1.903 2.572 . 0 0 "[ . 1 . 2]" 1
731 1 64 VAL MG2 1 67 TYR QD 4.320 . 4.750 3.056 2.654 3.395 . 0 0 "[ . 1 . 2]" 1
732 1 11 TRP HD1 1 64 VAL MG2 3.600 . 3.960 2.422 2.085 2.753 . 0 0 "[ . 1 . 2]" 1
733 1 11 TRP HB2 1 64 VAL MG2 4.350 . 4.790 2.855 2.514 3.120 . 0 0 "[ . 1 . 2]" 1
734 1 64 VAL MG2 1 65 ALA MB 5.080 . 5.590 5.206 5.130 5.300 . 0 0 "[ . 1 . 2]" 1
735 1 140 VAL H 1 140 VAL MG2 3.910 . 4.300 2.622 1.937 3.954 . 0 0 "[ . 1 . 2]" 1
736 1 4 THR MG 1 9 ASN H 5.850 . 6.430 5.738 5.348 6.008 . 0 0 "[ . 1 . 2]" 1
737 1 4 THR MG 1 7 PHE H 4.860 . 5.350 5.127 4.896 5.352 0.002 9 0 "[ . 1 . 2]" 1
738 1 4 THR MG 1 7 PHE QD 4.820 . 5.300 4.954 4.035 5.440 0.140 13 0 "[ . 1 . 2]" 1
739 1 4 THR MG 1 7 PHE HB3 4.310 . 4.740 4.477 3.912 4.871 0.131 13 0 "[ . 1 . 2]" 1
740 1 4 THR MG 1 8 ILE MD 2.840 . 3.120 2.012 1.903 2.129 . 0 0 "[ . 1 . 2]" 1
741 1 71 THR H 1 71 THR MG 4.070 . 4.480 2.312 2.164 2.423 . 0 0 "[ . 1 . 2]" 1
742 1 71 THR MG 1 72 LEU MD2 3.450 . 3.790 3.070 2.898 3.263 . 0 0 "[ . 1 . 2]" 1
743 1 14 ILE MD 1 71 THR MG 3.700 . 4.070 3.857 3.644 4.120 0.050 14 0 "[ . 1 . 2]" 1
744 1 68 ILE MD 1 71 THR MG 4.740 . 5.210 4.779 4.400 5.055 . 0 0 "[ . 1 . 2]" 1
745 1 117 THR H 1 117 THR MG 4.190 . 4.610 2.429 2.354 2.502 . 0 0 "[ . 1 . 2]" 1
746 1 117 THR MG 1 121 THR H 5.000 . 5.500 5.544 5.439 5.613 0.113 7 0 "[ . 1 . 2]" 1
747 1 117 THR MG 1 118 THR H 5.060 . 5.570 4.021 3.939 4.103 . 0 0 "[ . 1 . 2]" 1
748 1 117 THR MG 1 121 THR MG 3.590 . 3.950 4.034 3.892 4.162 0.212 4 0 "[ . 1 . 2]" 1
749 1 106 VAL MG2 1 117 THR MG 4.390 . 4.830 2.429 2.016 4.196 . 0 0 "[ . 1 . 2]" 1
750 1 57 THR H 1 57 THR MG 3.590 . 3.950 2.135 1.891 2.418 . 0 0 "[ . 1 . 2]" 1
751 1 46 THR H 1 46 THR MG 3.530 . 3.880 2.293 2.014 3.488 . 0 0 "[ . 1 . 2]" 1
752 1 46 THR MG 1 47 VAL H 3.770 . 4.150 2.481 2.313 2.911 . 0 0 "[ . 1 . 2]" 1
753 1 14 ILE MD 1 46 THR MG 3.580 . 3.940 3.987 3.880 4.152 0.212 14 0 "[ . 1 . 2]" 1
754 1 1 MET ME 1 5 VAL MG2 3.570 . 3.930 2.502 2.075 3.895 . 0 0 "[ . 1 . 2]" 1
755 1 71 THR H 1 72 LEU MD1 5.270 . 5.800 5.577 5.199 5.764 . 0 0 "[ . 1 . 2]" 1
756 1 69 LYS H 1 72 LEU MD1 4.910 . 5.400 4.714 4.165 5.044 . 0 0 "[ . 1 . 2]" 1
757 1 72 LEU MD1 1 134 MET ME 3.030 . 3.330 2.581 2.288 2.924 . 0 0 "[ . 1 . 2]" 1
758 1 72 LEU MD1 1 134 MET HG3 3.550 . 3.900 2.965 2.579 3.813 . 0 0 "[ . 1 . 2]" 1
759 1 32 LEU MD1 1 33 LEU H 4.860 . 5.350 4.912 4.719 5.169 . 0 0 "[ . 1 . 2]" 1
760 1 32 LEU H 1 32 LEU MD1 3.920 . 4.310 3.810 3.635 3.900 . 0 0 "[ . 1 . 2]" 1
761 1 32 LEU MD1 1 36 GLN HE22 3.430 . 3.770 3.809 3.582 3.940 0.170 19 0 "[ . 1 . 2]" 1
762 1 38 VAL MG2 1 40 TYR H 5.360 . 5.900 5.058 4.330 5.483 . 0 0 "[ . 1 . 2]" 1
763 1 68 ILE MD 1 140 VAL MG1 3.560 . 3.920 2.690 1.856 3.678 . 0 0 "[ . 1 . 2]" 1
764 1 106 VAL MG2 1 116 MET ME 5.490 . 6.040 4.812 3.767 5.999 . 0 0 "[ . 1 . 2]" 1
765 1 106 VAL H 1 106 VAL MG1 4.050 . 4.460 3.314 2.131 4.120 . 0 0 "[ . 1 . 2]" 1
766 1 17 LEU MD2 1 18 SER H 4.830 . 5.310 4.765 4.630 4.848 . 0 0 "[ . 1 . 2]" 1
767 1 17 LEU MD2 1 40 TYR H 3.760 . 4.140 4.154 3.947 4.236 0.096 5 0 "[ . 1 . 2]" 1
768 1 17 LEU MD2 1 20 SER H 5.150 . 5.670 5.215 5.037 5.401 . 0 0 "[ . 1 . 2]" 1
769 1 134 MET H 1 137 LEU MD1 5.150 . 5.670 4.710 4.507 4.986 . 0 0 "[ . 1 . 2]" 1
770 1 137 LEU MD1 1 140 VAL H 4.000 . 4.400 4.225 3.548 4.603 0.203 8 0 "[ . 1 . 2]" 1
771 1 11 TRP HZ2 1 137 LEU MD1 3.810 . 4.190 2.617 2.364 2.894 . 0 0 "[ . 1 . 2]" 1
772 1 11 TRP HH2 1 137 LEU MD1 4.660 . 5.130 3.210 2.910 3.523 . 0 0 "[ . 1 . 2]" 1
773 1 17 LEU MD2 1 40 TYR QD 4.270 . 4.700 3.979 3.779 4.220 . 0 0 "[ . 1 . 2]" 1
774 1 17 LEU MD2 1 40 TYR HB3 5.110 . 5.620 4.923 4.678 5.130 . 0 0 "[ . 1 . 2]" 1
775 1 17 LEU MD2 1 40 TYR HB2 4.170 . 4.590 3.439 3.177 3.678 . 0 0 "[ . 1 . 2]" 1
776 1 86 LEU MD2 1 87 ASP H 5.100 . 5.610 4.804 4.735 4.861 . 0 0 "[ . 1 . 2]" 1
777 1 86 LEU MD2 1 120 LEU H 5.420 . 5.960 4.505 3.936 4.902 . 0 0 "[ . 1 . 2]" 1
778 1 86 LEU MD2 1 117 THR MG 3.260 . 3.590 2.519 2.105 2.987 . 0 0 "[ . 1 . 2]" 1
779 1 72 LEU MD2 1 73 ASP H 4.760 . 5.240 4.783 4.690 4.876 . 0 0 "[ . 1 . 2]" 1
780 1 72 LEU H 1 72 LEU MD2 3.900 . 4.290 3.614 3.451 3.800 . 0 0 "[ . 1 . 2]" 1
781 1 16 LEU MD1 1 17 LEU H 4.590 . 5.050 4.578 4.315 4.837 . 0 0 "[ . 1 . 2]" 1
782 1 16 LEU H 1 16 LEU MD1 3.640 . 4.000 3.706 3.565 3.850 . 0 0 "[ . 1 . 2]" 1
783 1 72 LEU MD2 1 132 ALA H 5.380 . 5.920 5.105 4.939 5.410 . 0 0 "[ . 1 . 2]" 1
784 1 14 ILE H 1 16 LEU MD1 5.580 . 6.140 5.568 5.042 5.964 . 0 0 "[ . 1 . 2]" 1
785 1 12 GLN HE21 1 16 LEU MD1 3.930 . 4.320 3.073 2.117 4.344 0.024 6 0 "[ . 1 . 2]" 1
786 1 72 LEU MD2 1 135 ALA MB 3.660 . 4.030 3.987 3.554 4.226 0.196 8 0 "[ . 1 . 2]" 1
787 1 68 ILE MD 1 72 LEU MD2 5.420 . 5.960 5.580 5.244 5.730 . 0 0 "[ . 1 . 2]" 1
788 1 44 ILE MD 1 72 LEU MD2 5.770 . 6.350 5.409 5.167 5.728 . 0 0 "[ . 1 . 2]" 1
789 1 32 LEU MD2 1 33 LEU H 4.560 . 5.020 4.740 4.664 4.829 . 0 0 "[ . 1 . 2]" 1
790 1 32 LEU MD2 1 36 GLN HE21 4.190 . 4.610 4.356 3.524 4.611 0.001 19 0 "[ . 1 . 2]" 1
791 1 120 LEU MD1 1 123 TRP HE1 4.970 . 5.470 5.307 5.141 5.431 . 0 0 "[ . 1 . 2]" 1
792 1 86 LEU H 1 120 LEU MD1 5.330 . 5.860 5.104 4.626 5.303 . 0 0 "[ . 1 . 2]" 1
793 1 120 LEU MD1 1 121 THR H 5.690 . 6.260 5.020 4.786 5.161 . 0 0 "[ . 1 . 2]" 1
794 1 120 LEU MD1 1 123 TRP HD1 4.490 . 4.940 4.777 4.594 4.925 . 0 0 "[ . 1 . 2]" 1
795 1 30 TRP HB3 1 120 LEU MD1 3.910 . 4.300 3.158 2.212 3.505 . 0 0 "[ . 1 . 2]" 1
796 1 30 TRP HB2 1 120 LEU MD1 4.660 . 5.130 4.610 3.719 4.958 . 0 0 "[ . 1 . 2]" 1
797 1 96 VAL H 1 96 VAL MG1 3.870 . 4.260 2.707 1.918 4.001 . 0 0 "[ . 1 . 2]" 1
798 1 5 VAL MG1 1 6 GLU H 3.830 . 4.210 3.023 2.201 3.549 . 0 0 "[ . 1 . 2]" 1
799 1 5 VAL H 1 5 VAL MG1 3.820 . 4.200 3.320 2.101 3.826 . 0 0 "[ . 1 . 2]" 1
800 1 1 MET ME 1 5 VAL MG1 3.570 . 3.930 3.626 2.278 4.078 0.148 7 0 "[ . 1 . 2]" 1
801 1 5 VAL MG2 1 6 GLU H 3.830 . 4.210 3.845 3.725 3.993 . 0 0 "[ . 1 . 2]" 1
802 1 5 VAL MG2 1 9 ASN HD21 4.530 . 4.980 4.033 2.083 4.973 . 0 0 "[ . 1 . 2]" 1
803 1 96 VAL MG2 1 97 LEU H 4.020 . 4.420 3.292 1.925 4.361 . 0 0 "[ . 1 . 2]" 1
804 1 120 LEU MD2 1 123 TRP HE1 3.940 . 4.330 3.439 3.181 3.774 . 0 0 "[ . 1 . 2]" 1
805 1 120 LEU MD2 1 123 TRP H 4.830 . 5.310 4.713 4.538 4.897 . 0 0 "[ . 1 . 2]" 1
806 1 120 LEU MD2 1 123 TRP HD1 3.570 . 3.930 2.963 2.631 3.178 . 0 0 "[ . 1 . 2]" 1
807 1 30 TRP HE3 1 120 LEU MD2 4.300 . 4.730 4.267 3.880 4.679 . 0 0 "[ . 1 . 2]" 1
808 1 120 LEU MD2 1 123 TRP HZ2 4.730 . 5.200 4.776 4.559 4.967 . 0 0 "[ . 1 . 2]" 1
809 1 30 TRP HZ3 1 120 LEU MD2 5.400 . 5.940 5.303 4.793 5.712 . 0 0 "[ . 1 . 2]" 1
810 1 120 LEU MD2 1 123 TRP HB3 4.470 . 4.920 3.056 2.845 3.311 . 0 0 "[ . 1 . 2]" 1
811 1 30 TRP HB2 1 120 LEU MD2 5.740 . 6.310 5.771 4.909 6.241 . 0 0 "[ . 1 . 2]" 1
812 1 120 LEU MD2 1 127 LEU MD1 4.630 . 5.090 4.864 4.663 5.028 . 0 0 "[ . 1 . 2]" 1
813 1 83 GLN H 1 86 LEU MD1 4.890 . 5.380 4.776 4.426 5.066 . 0 0 "[ . 1 . 2]" 1
814 1 86 LEU MD1 1 120 LEU H 5.180 . 5.700 4.327 4.109 4.541 . 0 0 "[ . 1 . 2]" 1
815 1 86 LEU MD1 1 121 THR H 3.770 . 4.150 3.521 3.149 3.963 . 0 0 "[ . 1 . 2]" 1
816 1 86 LEU MD1 1 123 TRP HD1 3.930 . 4.320 4.227 3.903 4.368 0.048 7 0 "[ . 1 . 2]" 1
817 1 86 LEU MD1 1 121 THR MG 3.490 . 3.840 2.363 2.027 2.809 . 0 0 "[ . 1 . 2]" 1
818 1 86 LEU MD1 1 124 LEU MD2 3.180 . 3.500 3.586 3.481 3.667 0.167 2 0 "[ . 1 . 2]" 1
819 1 82 LEU MD1 1 86 LEU MD1 4.220 . 4.640 4.556 4.189 4.700 0.060 5 0 "[ . 1 . 2]" 1
820 1 120 LEU H 1 121 THR MG 4.590 . 5.050 4.434 4.352 4.517 . 0 0 "[ . 1 . 2]" 1
821 1 121 THR H 1 121 THR MG 3.730 . 4.100 2.509 2.366 2.664 . 0 0 "[ . 1 . 2]" 1
822 1 125 THR MG 1 129 ASN H 4.680 . 5.150 4.692 4.208 5.147 . 0 0 "[ . 1 . 2]" 1
823 1 7 PHE QE 1 52 THR MG 4.950 . 5.440 3.215 2.730 3.673 . 0 0 "[ . 1 . 2]" 1
824 1 7 PHE QD 1 52 THR MG 4.350 . 4.790 2.909 2.708 3.482 . 0 0 "[ . 1 . 2]" 1
825 1 7 PHE HB2 1 52 THR MG 4.820 . 5.300 3.074 2.189 4.665 . 0 0 "[ . 1 . 2]" 1
826 1 7 PHE HB3 1 52 THR MG 5.490 . 6.040 3.607 2.812 4.810 . 0 0 "[ . 1 . 2]" 1
827 1 11 TRP HE1 1 137 LEU MD1 4.820 . 5.300 4.357 3.925 4.738 . 0 0 "[ . 1 . 2]" 1
828 1 134 MET ME 1 137 LEU MD1 3.360 . 3.700 2.408 2.126 2.667 . 0 0 "[ . 1 . 2]" 1
829 1 68 ILE MD 1 137 LEU MD1 3.540 . 3.890 3.556 3.126 3.794 . 0 0 "[ . 1 . 2]" 1
830 1 135 ALA H 1 136 LEU MD2 4.830 . 5.310 5.236 5.061 5.382 0.072 12 0 "[ . 1 . 2]" 1
831 1 136 LEU MD2 1 137 LEU H 4.810 . 5.290 4.823 4.735 4.901 . 0 0 "[ . 1 . 2]" 1
832 1 135 ALA MB 1 136 LEU MD2 3.550 . 3.900 3.671 3.303 3.934 0.034 8 0 "[ . 1 . 2]" 1
833 1 16 LEU H 1 16 LEU MD2 3.970 . 4.370 3.324 3.171 3.441 . 0 0 "[ . 1 . 2]" 1
834 1 16 LEU MD2 1 19 GLN HE22 3.860 . 4.250 2.703 2.192 3.775 . 0 0 "[ . 1 . 2]" 1
835 1 137 LEU MD2 1 140 VAL H 4.710 . 5.180 4.639 3.381 5.177 . 0 0 "[ . 1 . 2]" 1
836 1 11 TRP HZ2 1 137 LEU MD2 4.180 . 4.600 4.663 4.410 4.797 0.197 2 0 "[ . 1 . 2]" 1
837 1 48 MET ME 1 137 LEU MD2 3.370 . 3.710 3.766 3.609 3.838 0.128 9 0 "[ . 1 . 2]" 1
838 1 11 TRP HZ2 1 47 VAL MG1 3.570 . 3.930 3.254 3.069 3.372 . 0 0 "[ . 1 . 2]" 1
839 1 11 TRP HZ2 1 47 VAL MG2 3.570 . 3.930 3.438 3.241 3.611 . 0 0 "[ . 1 . 2]" 1
840 1 24 LEU H 1 25 ALA MB 4.440 . 4.880 4.356 4.177 4.472 . 0 0 "[ . 1 . 2]" 1
841 1 81 LEU MD2 1 83 GLN H 4.530 . 4.980 4.860 4.701 5.024 0.044 3 0 "[ . 1 . 2]" 1
842 1 41 LEU MD1 1 126 ALA MB 3.540 . 3.890 2.494 2.225 2.918 . 0 0 "[ . 1 . 2]" 1
843 1 11 TRP HZ3 1 68 ILE MD 5.110 . 5.620 4.638 4.371 4.979 . 0 0 "[ . 1 . 2]" 1
844 1 68 ILE MD 1 140 VAL H 5.420 . 5.960 4.948 4.306 5.846 . 0 0 "[ . 1 . 2]" 1
845 1 28 GLY H 1 81 LEU MD1 3.920 . 4.920 4.919 4.739 5.082 0.162 13 0 "[ . 1 . 2]" 1
846 1 89 LEU MD1 1 120 LEU MD1 4.420 . 4.860 3.757 3.232 4.252 . 0 0 "[ . 1 . 2]" 1
847 1 21 LEU MD2 1 123 TRP HZ3 4.230 . 4.650 4.400 3.877 4.715 0.065 20 0 "[ . 1 . 2]" 1
848 1 44 ILE MD 1 130 PHE H 5.670 . 6.240 4.398 4.167 4.654 . 0 0 "[ . 1 . 2]" 1
849 1 44 ILE MD 1 131 GLU H 5.640 . 6.200 4.899 4.696 5.040 . 0 0 "[ . 1 . 2]" 1
850 1 40 TYR QE 1 44 ILE MD 4.100 . 4.510 2.671 2.564 2.797 . 0 0 "[ . 1 . 2]" 1
851 1 45 GLU H 1 46 THR MG 4.680 . 5.150 4.193 3.866 5.343 0.193 14 0 "[ . 1 . 2]" 1
852 1 133 LYS H 1 135 ALA MB 4.670 . 5.140 4.892 4.712 5.142 0.002 3 0 "[ . 1 . 2]" 1
853 1 132 ALA MB 1 134 MET H 4.860 . 5.350 4.350 4.267 4.445 . 0 0 "[ . 1 . 2]" 1
854 1 72 LEU H 1 134 MET ME 5.700 . 6.270 5.412 5.004 5.789 . 0 0 "[ . 1 . 2]" 1
855 1 48 MET ME 1 132 ALA H 5.310 . 5.840 5.444 5.076 5.878 0.038 1 0 "[ . 1 . 2]" 1
856 1 48 MET ME 1 131 GLU H 4.800 . 5.280 4.924 4.607 5.242 . 0 0 "[ . 1 . 2]" 1
857 1 11 TRP HH2 1 48 MET ME 4.380 . 4.820 3.969 3.703 4.205 . 0 0 "[ . 1 . 2]" 1
858 1 15 ALA MB 1 71 THR MG 4.600 . 5.060 3.896 3.702 4.405 . 0 0 "[ . 1 . 2]" 1
859 1 117 THR MG 1 120 LEU H 5.390 . 5.930 5.409 5.168 5.602 . 0 0 "[ . 1 . 2]" 1
860 1 117 THR MG 1 119 ARG H 5.630 . 6.190 5.676 5.523 5.837 . 0 0 "[ . 1 . 2]" 1
861 1 93 ILE MD 1 116 MET ME 3.570 . 3.930 3.443 2.314 4.039 0.109 17 0 "[ . 1 . 2]" 1
862 1 14 ILE MD 1 15 ALA H 4.650 . 5.120 4.636 4.477 4.717 . 0 0 "[ . 1 . 2]" 1
863 1 12 GLN H 1 14 ILE MD 5.260 . 5.790 5.251 5.002 5.470 . 0 0 "[ . 1 . 2]" 1
864 1 93 ILE MD 1 117 THR MG 4.010 . 4.410 3.262 2.609 4.269 . 0 0 "[ . 1 . 2]" 1
865 1 89 LEU MD2 1 93 ILE MD 3.990 . 4.390 3.710 2.792 4.261 . 0 0 "[ . 1 . 2]" 1
866 1 93 ILE MD 1 94 GLY H 4.650 . 5.120 4.586 4.302 4.979 . 0 0 "[ . 1 . 2]" 1
867 1 25 ALA MB 1 81 LEU MD2 3.610 . 3.970 1.826 1.757 1.934 0.043 19 0 "[ . 1 . 2]" 1
868 1 125 THR MG 1 126 ALA MB 4.430 . 4.870 3.520 3.170 4.004 . 0 0 "[ . 1 . 2]" 1
869 1 132 ALA MB 1 136 LEU MD2 4.520 . 4.970 4.405 4.082 4.709 . 0 0 "[ . 1 . 2]" 1
870 1 48 MET ME 1 130 PHE QD 2.840 . 3.120 2.127 1.956 2.290 . 0 0 "[ . 1 . 2]" 1
871 1 60 ILE H 1 63 MET ME 4.190 . 4.610 3.656 3.386 3.835 . 0 0 "[ . 1 . 2]" 1
872 1 30 TRP HE3 1 120 LEU MD1 4.270 . 4.700 3.686 3.339 4.065 . 0 0 "[ . 1 . 2]" 1
873 1 30 TRP HZ3 1 120 LEU MD1 4.640 . 5.100 4.746 4.254 5.142 0.042 1 0 "[ . 1 . 2]" 1
874 1 120 LEU H 1 120 LEU MD1 4.420 . 4.860 3.865 3.792 3.948 . 0 0 "[ . 1 . 2]" 1
875 1 134 MET H 1 137 LEU MD2 5.290 . 5.820 5.459 5.230 5.616 . 0 0 "[ . 1 . 2]" 1
876 1 17 LEU H 1 17 LEU MD2 4.030 . 4.430 3.785 3.674 3.927 . 0 0 "[ . 1 . 2]" 1
877 1 22 LEU MD1 1 77 LEU H 4.040 . 4.440 4.019 3.805 4.204 . 0 0 "[ . 1 . 2]" 1
878 1 78 LEU MD2 1 82 LEU MD2 3.380 . 3.720 3.695 3.427 3.849 0.129 9 0 "[ . 1 . 2]" 1
879 1 21 LEU H 1 78 LEU MD2 4.750 . 5.220 4.813 4.685 5.027 . 0 0 "[ . 1 . 2]" 1
880 1 133 LYS H 1 136 LEU MD1 4.630 . 5.090 4.197 3.819 4.636 . 0 0 "[ . 1 . 2]" 1
881 1 134 MET H 1 136 LEU MD1 5.930 . 6.520 5.199 4.965 5.582 . 0 0 "[ . 1 . 2]" 1
882 1 34 LEU MD1 1 35 GLN H 5.000 . 5.500 4.829 4.604 5.008 . 0 0 "[ . 1 . 2]" 1
883 1 82 LEU MD2 1 120 LEU MD1 2.980 . 3.280 2.272 2.008 2.866 . 0 0 "[ . 1 . 2]" 1
884 1 44 ILE MD 1 130 PHE QD 3.860 . 4.250 3.077 2.983 3.268 . 0 0 "[ . 1 . 2]" 1
885 1 44 ILE MD 1 130 PHE QE 4.090 . 4.500 3.856 3.638 4.104 . 0 0 "[ . 1 . 2]" 1
886 1 41 LEU MD2 1 123 TRP HZ2 5.660 . 6.230 5.443 5.293 5.561 . 0 0 "[ . 1 . 2]" 1
887 1 41 LEU MD2 1 130 PHE QD 6.230 . 6.850 5.437 5.119 5.704 . 0 0 "[ . 1 . 2]" 1
888 1 40 TYR QE 1 41 LEU MD2 4.390 . 4.830 3.639 3.273 3.992 . 0 0 "[ . 1 . 2]" 1
889 1 15 ALA MB 1 16 LEU MD1 4.650 . 5.120 4.504 4.333 4.701 . 0 0 "[ . 1 . 2]" 1
890 1 12 GLN H 1 16 LEU MD1 5.650 . 6.210 5.884 5.531 6.220 0.010 10 0 "[ . 1 . 2]" 1
891 1 12 GLN HE22 1 16 LEU MD1 3.930 . 4.320 3.821 2.495 4.398 0.078 13 0 "[ . 1 . 2]" 1
892 1 82 LEU MD1 1 123 TRP HZ2 4.620 . 5.080 3.013 2.700 3.429 . 0 0 "[ . 1 . 2]" 1
893 1 80 GLY H 1 82 LEU MD1 5.320 . 5.850 5.447 5.132 5.807 . 0 0 "[ . 1 . 2]" 1
894 1 30 TRP HZ3 1 82 LEU MD1 4.320 . 4.750 4.070 3.669 4.402 . 0 0 "[ . 1 . 2]" 1
895 1 71 THR MG 1 130 PHE HZ 3.230 . 3.550 2.150 1.884 2.330 . 0 0 "[ . 1 . 2]" 1
896 1 41 LEU MD1 1 44 ILE MD 5.280 . 5.810 4.594 4.371 4.840 . 0 0 "[ . 1 . 2]" 1
897 1 82 LEU MD1 1 124 LEU MD2 3.040 . 3.340 2.606 2.225 2.849 . 0 0 "[ . 1 . 2]" 1
898 1 24 LEU MD1 1 32 LEU H 4.190 . 4.610 4.279 3.730 4.585 . 0 0 "[ . 1 . 2]" 1
899 1 26 GLN HE21 1 77 LEU MD2 3.650 . 4.020 4.094 3.989 4.169 0.149 19 0 "[ . 1 . 2]" 1
900 1 88 GLU H 1 92 LEU MD2 5.600 . 6.160 6.155 5.887 6.272 0.112 7 0 "[ . 1 . 2]" 1
901 1 137 LEU MD1 1 140 VAL MG1 4.850 . 5.330 4.120 1.800 5.380 0.050 10 0 "[ . 1 . 2]" 1
902 1 96 VAL MG1 1 97 LEU H 4.020 . 4.420 3.251 1.723 4.291 0.077 18 0 "[ . 1 . 2]" 1
903 1 72 LEU MD2 1 134 MET HG2 3.520 . 3.870 2.451 2.199 2.728 . 0 0 "[ . 1 . 2]" 1
904 1 72 LEU MD2 1 134 MET HG3 3.710 . 4.080 2.704 2.444 2.992 . 0 0 "[ . 1 . 2]" 1
905 1 15 ALA MB 1 16 LEU MD2 4.080 . 4.490 3.525 3.259 3.794 . 0 0 "[ . 1 . 2]" 1
906 1 16 LEU MD2 1 17 LEU H 4.920 . 5.410 4.699 4.645 4.758 . 0 0 "[ . 1 . 2]" 1
907 1 16 LEU MD2 1 19 GLN HE21 3.860 . 4.250 2.826 1.857 4.261 0.011 10 0 "[ . 1 . 2]" 1
908 1 70 GLN H 1 72 LEU MD1 5.500 . 6.050 5.869 5.336 6.162 0.112 14 0 "[ . 1 . 2]" 1
909 1 123 TRP HZ3 1 127 LEU MD2 3.930 . 4.320 3.744 3.435 3.989 . 0 0 "[ . 1 . 2]" 1
910 1 127 LEU MD2 1 131 GLU H 5.420 . 5.960 5.298 5.012 5.536 . 0 0 "[ . 1 . 2]" 1
911 1 7 PHE QD 1 11 TRP HE1 4.400 . 4.840 3.543 3.217 3.842 . 0 0 "[ . 1 . 2]" 1
912 1 67 TYR QD 1 68 ILE H 4.270 . 4.700 4.498 4.413 4.591 . 0 0 "[ . 1 . 2]" 1
913 1 66 GLY H 1 67 TYR QD 5.030 . 5.530 5.064 4.985 5.172 . 0 0 "[ . 1 . 2]" 1
914 1 11 TRP HD1 1 67 TYR QD 4.490 . 4.940 4.569 4.346 4.960 0.020 7 0 "[ . 1 . 2]" 1
915 1 63 MET ME 1 67 TYR QE 4.530 . 4.980 4.333 3.854 4.959 . 0 0 "[ . 1 . 2]" 1
916 1 40 TYR H 1 40 TYR QD 4.160 . 4.580 4.246 4.225 4.292 . 0 0 "[ . 1 . 2]" 1
917 1 40 TYR QD 1 41 LEU H 4.120 . 4.530 3.847 3.695 4.012 . 0 0 "[ . 1 . 2]" 1
918 1 40 TYR QE 1 127 LEU MD2 3.380 . 3.720 1.866 1.762 1.962 0.038 7 0 "[ . 1 . 2]" 1
919 1 21 LEU MD1 1 40 TYR QD 4.700 . 5.170 2.996 2.912 3.092 . 0 0 "[ . 1 . 2]" 1
920 1 17 LEU MD1 1 40 TYR QD 3.140 . 3.450 2.521 2.336 2.710 . 0 0 "[ . 1 . 2]" 1
921 1 40 TYR QD 1 127 LEU MD2 3.610 . 3.970 2.697 2.460 2.906 . 0 0 "[ . 1 . 2]" 1
922 1 7 PHE QD 1 8 ILE H 4.460 . 4.910 3.800 3.588 4.022 . 0 0 "[ . 1 . 2]" 1
923 1 7 PHE QD 1 11 TRP HD1 4.450 . 4.890 3.439 3.228 3.589 . 0 0 "[ . 1 . 2]" 1
924 1 7 PHE QE 1 11 TRP HD1 4.270 . 4.700 3.781 3.601 3.971 . 0 0 "[ . 1 . 2]" 1
925 1 7 PHE QE 1 11 TRP HE1 4.350 . 4.790 2.589 2.234 2.775 . 0 0 "[ . 1 . 2]" 1
926 1 7 PHE HZ 1 11 TRP HE1 4.220 . 4.640 2.736 2.385 3.355 . 0 0 "[ . 1 . 2]" 1
927 1 7 PHE HZ 1 11 TRP HD1 4.880 . 5.370 4.483 4.192 4.805 . 0 0 "[ . 1 . 2]" 1
928 1 16 LEU MD2 1 67 TYR QD 5.430 . 5.970 4.984 4.591 5.335 . 0 0 "[ . 1 . 2]" 1
929 1 16 LEU MD1 1 67 TYR QD 5.960 . 6.560 5.906 5.595 6.422 . 0 0 "[ . 1 . 2]" 1
930 1 14 ILE MD 1 67 TYR QD 6.470 . 7.120 6.368 6.113 6.562 . 0 0 "[ . 1 . 2]" 1
931 1 67 TYR QD 1 68 ILE MD 5.900 . 6.490 5.824 5.638 5.989 . 0 0 "[ . 1 . 2]" 1
932 1 67 TYR QD 1 71 THR MG 5.770 . 6.350 5.740 5.610 5.889 . 0 0 "[ . 1 . 2]" 1
933 1 40 TYR QD 1 123 TRP HZ2 4.400 . 4.840 4.484 4.002 4.858 0.018 9 0 "[ . 1 . 2]" 1
934 1 21 LEU MD2 1 40 TYR QD 4.700 . 5.170 4.959 4.684 5.173 0.003 14 0 "[ . 1 . 2]" 1
935 1 40 TYR QE 1 123 TRP HZ2 4.520 . 4.970 4.534 4.255 4.827 . 0 0 "[ . 1 . 2]" 1
936 1 40 TYR QE 1 41 LEU H 5.670 . 6.240 5.794 5.680 5.955 . 0 0 "[ . 1 . 2]" 1
937 1 16 LEU MD2 1 67 TYR QE 4.790 . 5.270 4.637 4.151 5.087 . 0 0 "[ . 1 . 2]" 1
938 1 98 PHE QD 1 99 GLN H 3.810 . 4.190 3.520 2.324 4.233 0.043 14 0 "[ . 1 . 2]" 1
939 1 7 PHE H 1 7 PHE QD 4.230 . 4.650 4.122 4.040 4.224 . 0 0 "[ . 1 . 2]" 1
940 1 7 PHE H 1 7 PHE QE 6.280 . 6.910 6.175 6.112 6.258 . 0 0 "[ . 1 . 2]" 1
941 1 7 PHE QD 1 52 THR H 5.640 . 6.200 4.530 3.432 5.714 . 0 0 "[ . 1 . 2]" 1
942 1 7 PHE HZ 1 68 ILE MD 5.000 . 5.500 4.243 3.953 4.571 . 0 0 "[ . 1 . 2]" 1
943 1 98 PHE H 1 98 PHE QE 4.690 . 5.160 4.178 3.768 5.103 . 0 0 "[ . 1 . 2]" 1
944 1 130 PHE HZ 1 134 MET ME 4.200 . 4.620 3.810 2.992 4.053 . 0 0 "[ . 1 . 2]" 1
945 1 48 MET ME 1 130 PHE HZ 5.200 . 5.720 5.069 4.894 5.270 . 0 0 "[ . 1 . 2]" 1
946 1 72 LEU MD2 1 130 PHE HZ 3.540 . 3.890 3.852 3.610 3.967 0.077 17 0 "[ . 1 . 2]" 1
947 1 14 ILE MD 1 130 PHE HZ 4.760 . 5.240 3.676 3.345 4.022 . 0 0 "[ . 1 . 2]" 1
948 1 44 ILE MD 1 130 PHE HZ 4.570 . 5.030 4.740 4.493 5.003 . 0 0 "[ . 1 . 2]" 1
949 1 127 LEU MD2 1 130 PHE QD 3.920 . 4.310 4.166 3.803 4.371 0.061 17 0 "[ . 1 . 2]" 1
950 1 14 ILE MD 1 130 PHE QE 3.910 . 4.300 3.263 2.916 3.648 . 0 0 "[ . 1 . 2]" 1
951 1 72 LEU MD2 1 130 PHE QE 3.320 . 3.650 2.540 2.317 2.855 . 0 0 "[ . 1 . 2]" 1
952 1 127 LEU MD2 1 130 PHE QE 4.320 . 5.320 5.356 5.041 5.530 0.210 17 0 "[ . 1 . 2]" 1
953 1 71 THR MG 1 130 PHE QE 4.010 . 4.410 2.361 2.182 2.656 . 0 0 "[ . 1 . 2]" 1
954 1 48 MET ME 1 130 PHE QE 3.700 . 4.070 3.230 3.124 3.359 . 0 0 "[ . 1 . 2]" 1
955 1 130 PHE QE 1 131 GLU H 4.390 . 4.830 4.879 4.846 4.916 0.086 14 0 "[ . 1 . 2]" 1
956 1 7 PHE QE 1 140 VAL MG1 4.550 . 5.010 2.961 1.801 4.845 . 0 0 "[ . 1 . 2]" 1
957 1 7 PHE QE 1 140 VAL MG2 4.550 . 5.010 2.907 2.231 4.049 . 0 0 "[ . 1 . 2]" 1
958 1 4 THR MG 1 5 VAL QG 4.960 . 5.460 3.526 3.182 4.207 . 0 0 "[ . 1 . 2]" 1
959 1 5 VAL H 1 5 VAL QG 3.000 . 3.300 2.136 1.973 2.276 . 0 0 "[ . 1 . 2]" 1
960 1 5 VAL QG 1 6 GLU H 3.340 . 3.670 2.883 2.186 3.237 . 0 0 "[ . 1 . 2]" 1
961 1 5 VAL QG 1 7 PHE H 4.940 . 5.430 4.626 4.199 4.853 . 0 0 "[ . 1 . 2]" 1
962 1 5 VAL QG 1 8 ILE MD 3.960 . 4.360 4.153 3.638 4.379 0.019 12 0 "[ . 1 . 2]" 1
963 1 5 VAL QG 1 9 ASN H 3.780 . 4.160 4.037 3.848 4.169 0.009 20 0 "[ . 1 . 2]" 1
964 1 5 VAL QG 1 9 ASN HD21 3.200 . 3.520 3.000 2.076 3.541 0.021 9 0 "[ . 1 . 2]" 1
965 1 5 VAL QG 1 9 ASN HD22 3.250 . 3.580 2.511 2.137 2.912 . 0 0 "[ . 1 . 2]" 1
966 1 5 VAL QG 1 10 ARG H 5.370 . 5.910 5.404 5.198 5.584 . 0 0 "[ . 1 . 2]" 1
967 1 7 PHE HB2 1 47 VAL QG 5.910 . 6.500 4.688 4.139 5.109 . 0 0 "[ . 1 . 2]" 1
968 1 7 PHE HB3 1 64 VAL QG 4.030 . 4.430 3.704 3.392 4.134 . 0 0 "[ . 1 . 2]" 1
969 1 7 PHE QD 1 47 VAL QG 3.520 . 3.870 2.996 2.624 3.402 . 0 0 "[ . 1 . 2]" 1
970 1 7 PHE QD 1 64 VAL QG 3.250 . 3.580 2.185 1.889 2.547 . 0 0 "[ . 1 . 2]" 1
971 1 7 PHE QE 1 47 VAL QG 4.780 . 5.260 3.162 2.409 3.617 . 0 0 "[ . 1 . 2]" 1
972 1 7 PHE QE 1 64 VAL QG 2.920 . 3.210 2.077 1.917 2.308 . 0 0 "[ . 1 . 2]" 1
973 1 7 PHE QE 1 140 VAL QG 3.990 . 4.390 2.320 1.782 2.993 0.018 14 0 "[ . 1 . 2]" 1
974 1 8 ILE H 1 64 VAL QG 4.470 . 4.920 3.863 3.707 4.057 . 0 0 "[ . 1 . 2]" 1
975 1 8 ILE MD 1 64 VAL QG 4.540 . 4.990 3.451 3.163 3.801 . 0 0 "[ . 1 . 2]" 1
976 1 10 ARG H 1 47 VAL QG 4.260 . 4.690 4.048 3.832 4.368 . 0 0 "[ . 1 . 2]" 1
977 1 11 TRP H 1 47 VAL QG 4.570 . 5.030 2.911 2.698 3.317 . 0 0 "[ . 1 . 2]" 1
978 1 11 TRP H 1 64 VAL QG 4.620 . 5.080 4.226 4.026 4.419 . 0 0 "[ . 1 . 2]" 1
979 1 11 TRP HB2 1 64 VAL QG 3.780 . 4.160 2.737 2.443 2.976 . 0 0 "[ . 1 . 2]" 1
980 1 11 TRP HD1 1 47 VAL QG 4.550 . 5.010 3.079 2.941 3.199 . 0 0 "[ . 1 . 2]" 1
981 1 11 TRP HE1 1 47 VAL QG 4.160 . 4.580 2.650 2.459 2.854 . 0 0 "[ . 1 . 2]" 1
982 1 11 TRP HE1 1 64 VAL QG 3.500 . 3.850 2.867 2.653 3.053 . 0 0 "[ . 1 . 2]" 1
983 1 11 TRP HZ3 1 47 VAL QG 3.800 . 4.180 3.560 3.388 3.802 . 0 0 "[ . 1 . 2]" 1
984 1 12 GLN H 1 47 VAL QG 5.830 . 6.410 4.953 4.761 5.327 . 0 0 "[ . 1 . 2]" 1
985 1 12 GLN QE 1 16 LEU MD1 3.440 . 3.780 2.887 2.103 3.817 0.037 6 0 "[ . 1 . 2]" 1
986 1 12 GLN QE 1 16 LEU MD2 3.790 . 4.170 3.920 3.397 4.242 0.072 17 0 "[ . 1 . 2]" 1
987 1 14 ILE MD 1 47 VAL QG 3.170 . 3.490 1.922 1.868 1.976 . 0 0 "[ . 1 . 2]" 1
988 1 16 LEU MD2 1 19 GLN QE 3.300 . 3.630 2.433 1.784 3.512 0.016 14 0 "[ . 1 . 2]" 1
989 1 17 LEU MD1 1 21 LEU QD 4.060 . 4.470 3.726 3.554 3.872 . 0 0 "[ . 1 . 2]" 1
990 1 17 LEU MD2 1 21 LEU QD 3.050 . 3.360 3.087 2.824 3.336 . 0 0 "[ . 1 . 2]" 1
991 1 19 GLN QE 1 20 SER H 4.450 . 4.890 4.225 3.610 5.162 0.272 17 0 "[ . 1 . 2]" 1
992 1 20 SER H 1 21 LEU QD 4.780 . 5.260 4.806 4.666 4.939 . 0 0 "[ . 1 . 2]" 1
993 1 21 LEU H 1 21 LEU QD 3.350 . 3.690 3.148 3.043 3.287 . 0 0 "[ . 1 . 2]" 1
994 1 21 LEU H 1 33 LEU QD 4.540 . 4.990 4.660 4.461 4.921 . 0 0 "[ . 1 . 2]" 1
995 1 21 LEU QD 1 22 LEU H 4.110 . 4.520 4.223 4.130 4.293 . 0 0 "[ . 1 . 2]" 1
996 1 21 LEU QD 1 24 LEU MD1 3.190 . 3.510 2.155 1.752 2.885 0.048 5 0 "[ . 1 . 2]" 1
997 1 21 LEU QD 1 25 ALA MB 4.770 . 5.250 4.672 4.445 4.927 . 0 0 "[ . 1 . 2]" 1
998 1 21 LEU QD 1 33 LEU H 4.400 . 4.840 3.992 3.736 4.373 . 0 0 "[ . 1 . 2]" 1
999 1 21 LEU QD 1 33 LEU QD 2.520 . 2.770 2.167 1.796 2.609 0.004 19 0 "[ . 1 . 2]" 1
1000 1 21 LEU QD 1 35 GLN H 5.100 . 5.610 4.891 4.625 5.133 . 0 0 "[ . 1 . 2]" 1
1001 1 21 LEU QD 1 36 GLN H 4.090 . 4.500 3.559 3.329 3.780 . 0 0 "[ . 1 . 2]" 1
1002 1 21 LEU QD 1 36 GLN HE21 3.660 . 4.030 2.263 1.932 3.811 . 0 0 "[ . 1 . 2]" 1
1003 1 21 LEU QD 1 36 GLN HE22 4.140 . 4.550 2.890 2.526 4.464 . 0 0 "[ . 1 . 2]" 1
1004 1 21 LEU QD 1 37 GLU H 4.960 . 5.460 3.684 3.417 4.002 . 0 0 "[ . 1 . 2]" 1
1005 1 21 LEU QD 1 40 TYR H 4.230 . 4.650 3.956 3.633 4.232 . 0 0 "[ . 1 . 2]" 1
1006 1 21 LEU QD 1 40 TYR HB2 3.750 . 4.130 2.204 1.997 2.346 . 0 0 "[ . 1 . 2]" 1
1007 1 21 LEU QD 1 40 TYR HB3 3.710 . 4.080 3.066 2.898 3.211 . 0 0 "[ . 1 . 2]" 1
1008 1 21 LEU QD 1 40 TYR QD 3.210 . 3.530 2.972 2.885 3.069 . 0 0 "[ . 1 . 2]" 1
1009 1 21 LEU QD 1 40 TYR QE 3.390 . 3.730 3.656 3.387 3.821 0.091 8 0 "[ . 1 . 2]" 1
1010 1 21 LEU QD 1 41 LEU H 4.630 . 5.090 4.987 4.817 5.115 0.025 15 0 "[ . 1 . 2]" 1
1011 1 21 LEU QD 1 41 LEU MD2 4.710 . 5.180 4.793 4.531 4.990 . 0 0 "[ . 1 . 2]" 1
1012 1 21 LEU QD 1 44 ILE MD 4.470 . 4.920 4.988 4.846 5.077 0.157 11 0 "[ . 1 . 2]" 1
1013 1 21 LEU QD 1 78 LEU MD1 3.200 . 3.520 2.891 2.680 3.211 . 0 0 "[ . 1 . 2]" 1
1014 1 21 LEU QD 1 78 LEU MD2 4.210 . 4.630 3.572 3.409 3.996 . 0 0 "[ . 1 . 2]" 1
1015 1 21 LEU QD 1 123 TRP HZ3 3.240 . 3.560 3.048 2.308 3.501 . 0 0 "[ . 1 . 2]" 1
1016 1 21 LEU QD 1 123 TRP HZ2 4.340 . 4.770 3.226 2.614 3.787 . 0 0 "[ . 1 . 2]" 1
1017 1 21 LEU QD 1 127 LEU MD2 4.290 . 4.720 4.288 4.038 4.459 . 0 0 "[ . 1 . 2]" 1
1018 1 22 LEU MD2 1 26 GLN QE 3.740 . 4.110 3.453 2.560 3.805 . 0 0 "[ . 1 . 2]" 1
1019 1 23 GLU H 1 33 LEU QD 5.490 . 6.040 5.272 5.139 5.421 . 0 0 "[ . 1 . 2]" 1
1020 1 24 LEU H 1 33 LEU QD 3.710 . 4.080 3.888 3.749 4.178 0.098 8 0 "[ . 1 . 2]" 1
1021 1 24 LEU MD1 1 33 LEU QD 3.430 . 3.770 2.625 2.385 2.880 . 0 0 "[ . 1 . 2]" 1
1022 1 24 LEU MD2 1 33 LEU QD 4.070 . 4.480 4.065 3.713 4.469 . 0 0 "[ . 1 . 2]" 1
1023 1 25 ALA H 1 33 LEU QD 3.090 . 3.400 2.741 2.526 3.092 . 0 0 "[ . 1 . 2]" 1
1024 1 25 ALA MB 1 33 LEU QD 3.000 . 3.300 2.034 1.806 2.459 . 0 0 "[ . 1 . 2]" 1
1025 1 26 GLN H 1 33 LEU QD 4.930 . 5.420 4.557 4.319 4.999 . 0 0 "[ . 1 . 2]" 1
1026 1 26 GLN QE 1 77 LEU MD1 3.700 . 4.070 3.430 2.931 3.945 . 0 0 "[ . 1 . 2]" 1
1027 1 26 GLN QE 1 81 LEU MD1 3.400 . 3.740 2.617 2.148 3.412 . 0 0 "[ . 1 . 2]" 1
1028 1 29 GLU H 1 33 LEU QD 5.720 . 6.290 4.339 3.782 5.113 . 0 0 "[ . 1 . 2]" 1
1029 1 30 TRP HB2 1 33 LEU QD 5.470 . 6.020 4.716 4.434 5.058 . 0 0 "[ . 1 . 2]" 1
1030 1 30 TRP HB3 1 33 LEU QD 4.400 . 4.840 3.755 3.299 4.305 . 0 0 "[ . 1 . 2]" 1
1031 1 30 TRP HE3 1 33 LEU QD 3.680 . 4.050 1.950 1.756 2.496 0.044 17 0 "[ . 1 . 2]" 1
1032 1 30 TRP HZ3 1 33 LEU QD 3.190 . 3.510 2.818 2.488 3.339 . 0 0 "[ . 1 . 2]" 1
1033 1 33 LEU H 1 33 LEU QD 3.530 . 3.880 2.783 2.251 3.692 . 0 0 "[ . 1 . 2]" 1
1034 1 33 LEU QD 1 34 LEU H 4.500 . 4.950 4.021 3.922 4.112 . 0 0 "[ . 1 . 2]" 1
1035 1 33 LEU QD 1 34 LEU MD2 4.780 . 5.260 4.352 3.632 4.849 . 0 0 "[ . 1 . 2]" 1
1036 1 33 LEU QD 1 36 GLN H 5.550 . 6.110 5.153 4.980 5.325 . 0 0 "[ . 1 . 2]" 1
1037 1 33 LEU QD 1 81 LEU MD2 4.830 . 5.310 3.699 3.341 4.061 . 0 0 "[ . 1 . 2]" 1
1038 1 33 LEU QD 1 82 LEU MD1 2.630 . 2.890 2.138 1.909 2.449 . 0 0 "[ . 1 . 2]" 1
1039 1 33 LEU QD 1 82 LEU MD2 2.950 . 3.250 2.026 1.811 2.160 . 0 0 "[ . 1 . 2]" 1
1040 1 33 LEU QD 1 120 LEU MD1 3.460 . 3.810 3.555 2.680 3.818 0.008 1 0 "[ . 1 . 2]" 1
1041 1 33 LEU QD 1 120 LEU MD2 3.080 . 3.390 2.901 1.939 3.270 . 0 0 "[ . 1 . 2]" 1
1042 1 33 LEU QD 1 123 TRP HE1 4.880 . 5.370 3.886 2.919 4.487 . 0 0 "[ . 1 . 2]" 1
1043 1 33 LEU QD 1 123 TRP HZ2 3.830 . 4.210 3.501 2.842 3.920 . 0 0 "[ . 1 . 2]" 1
1044 1 37 GLU H 1 38 VAL QG 3.790 . 4.170 4.008 3.798 4.218 0.048 17 0 "[ . 1 . 2]" 1
1045 1 38 VAL H 1 38 VAL QG 2.770 . 3.050 2.007 1.897 2.147 . 0 0 "[ . 1 . 2]" 1
1046 1 38 VAL QG 1 39 SER H 3.070 . 3.380 2.347 2.005 3.359 . 0 0 "[ . 1 . 2]" 1
1047 1 38 VAL QG 1 40 TYR H 4.610 . 5.070 4.277 4.034 4.770 . 0 0 "[ . 1 . 2]" 1
1048 1 38 VAL QG 1 41 LEU H 5.560 . 6.120 4.725 4.545 4.916 . 0 0 "[ . 1 . 2]" 1
1049 1 38 VAL QG 1 41 LEU MD1 5.100 . 5.610 4.318 3.495 4.875 . 0 0 "[ . 1 . 2]" 1
1050 1 38 VAL QG 1 42 GLN H 4.540 . 4.990 4.281 3.948 4.868 . 0 0 "[ . 1 . 2]" 1
1051 1 44 ILE MD 1 47 VAL QG 5.210 . 5.730 4.971 4.811 5.119 . 0 0 "[ . 1 . 2]" 1
1052 1 45 GLU H 1 47 VAL QG 5.040 . 5.540 4.521 4.368 4.674 . 0 0 "[ . 1 . 2]" 1
1053 1 46 THR H 1 47 VAL QG 5.420 . 5.960 4.288 4.138 4.447 . 0 0 "[ . 1 . 2]" 1
1054 1 46 THR MG 1 47 VAL QG 3.850 . 4.230 3.640 3.515 3.757 . 0 0 "[ . 1 . 2]" 1
1055 1 47 VAL H 1 47 VAL QG 3.250 . 3.580 2.472 2.388 2.580 . 0 0 "[ . 1 . 2]" 1
1056 1 47 VAL QG 1 48 MET H 3.680 . 4.050 2.284 2.210 2.395 . 0 0 "[ . 1 . 2]" 1
1057 1 47 VAL QG 1 48 MET ME 3.800 . 4.180 3.586 3.364 3.989 . 0 0 "[ . 1 . 2]" 1
1058 1 47 VAL QG 1 49 GLU H 4.070 . 4.480 4.113 3.964 4.215 . 0 0 "[ . 1 . 2]" 1
1059 1 47 VAL QG 1 64 VAL QG 4.220 . 4.640 3.859 3.734 3.987 . 0 0 "[ . 1 . 2]" 1
1060 1 47 VAL QG 1 67 TYR HB2 6.280 . 6.910 5.766 5.513 6.055 . 0 0 "[ . 1 . 2]" 1
1061 1 47 VAL QG 1 67 TYR QD 6.700 . 7.370 5.717 5.438 6.025 . 0 0 "[ . 1 . 2]" 1
1062 1 47 VAL QG 1 68 ILE MD 4.570 . 5.030 4.764 4.537 4.953 . 0 0 "[ . 1 . 2]" 1
1063 1 47 VAL QG 1 71 THR MG 4.270 . 4.700 4.659 4.499 4.782 0.082 11 0 "[ . 1 . 2]" 1
1064 1 47 VAL QG 1 130 PHE QD 3.960 . 4.360 4.040 3.669 4.416 0.056 1 0 "[ . 1 . 2]" 1
1065 1 47 VAL QG 1 130 PHE QE 3.310 . 3.640 2.963 2.660 3.308 . 0 0 "[ . 1 . 2]" 1
1066 1 47 VAL QG 1 134 MET ME 3.810 . 4.810 4.517 4.425 4.609 . 0 0 "[ . 1 . 2]" 1
1067 1 47 VAL QG 1 137 LEU MD1 4.600 . 5.060 3.883 3.541 4.405 . 0 0 "[ . 1 . 2]" 1
1068 1 47 VAL QG 1 137 LEU MD2 4.950 . 5.440 4.975 4.647 5.240 . 0 0 "[ . 1 . 2]" 1
1069 1 56 ILE MD 1 64 VAL QG 3.910 . 4.300 3.997 3.119 4.469 0.169 3 0 "[ . 1 . 2]" 1
1070 1 56 ILE MD 1 140 VAL QG 4.250 . 4.680 3.892 2.703 4.787 0.107 4 0 "[ . 1 . 2]" 1
1071 1 60 ILE MD 1 64 VAL QG 4.640 . 5.100 4.498 4.274 4.629 . 0 0 "[ . 1 . 2]" 1
1072 1 63 MET ME 1 64 VAL QG 3.910 . 4.300 3.740 3.478 3.956 . 0 0 "[ . 1 . 2]" 1
1073 1 64 VAL H 1 64 VAL QG 3.030 . 3.330 2.350 2.267 2.444 . 0 0 "[ . 1 . 2]" 1
1074 1 64 VAL QG 1 65 ALA H 3.370 . 3.710 3.087 2.951 3.256 . 0 0 "[ . 1 . 2]" 1
1075 1 64 VAL QG 1 65 ALA MB 3.970 . 4.370 3.743 3.569 3.956 . 0 0 "[ . 1 . 2]" 1
1076 1 64 VAL QG 1 67 TYR H 4.610 . 5.070 4.327 4.169 4.494 . 0 0 "[ . 1 . 2]" 1
1077 1 64 VAL QG 1 67 TYR HB2 4.040 . 4.440 3.546 3.255 3.767 . 0 0 "[ . 1 . 2]" 1
1078 1 64 VAL QG 1 67 TYR QD 3.500 . 3.850 2.955 2.595 3.279 . 0 0 "[ . 1 . 2]" 1
1079 1 64 VAL QG 1 67 TYR QE 4.350 . 4.790 3.732 3.289 4.201 . 0 0 "[ . 1 . 2]" 1
1080 1 64 VAL QG 1 68 ILE H 4.130 . 4.540 3.981 3.853 4.089 . 0 0 "[ . 1 . 2]" 1
1081 1 64 VAL QG 1 68 ILE MD 2.760 . 3.040 2.107 2.023 2.193 . 0 0 "[ . 1 . 2]" 1
1082 1 64 VAL QG 1 69 LYS H 5.490 . 6.040 5.707 5.594 5.881 . 0 0 "[ . 1 . 2]" 1
1083 1 64 VAL QG 1 134 MET ME 4.250 . 4.680 4.370 4.245 4.542 . 0 0 "[ . 1 . 2]" 1
1084 1 64 VAL QG 1 137 LEU MD2 6.130 . 6.740 6.240 5.786 6.623 . 0 0 "[ . 1 . 2]" 1
1085 1 64 VAL QG 1 140 VAL QG 3.140 . 3.450 2.123 1.773 2.730 0.027 9 0 "[ . 1 . 2]" 1
1086 1 65 ALA MB 1 140 VAL QG 4.110 . 4.520 3.715 2.332 4.596 0.076 2 0 "[ . 1 . 2]" 1
1087 1 68 ILE MD 1 140 VAL QG 3.110 . 3.420 2.125 1.761 2.814 0.039 7 0 "[ . 1 . 2]" 1
1088 1 83 GLN QE 1 84 GLN H 4.380 . 4.820 3.988 2.717 4.967 0.147 3 0 "[ . 1 . 2]" 1
1089 1 83 GLN QE 1 85 ARG H 5.420 . 5.960 5.590 4.918 6.113 0.153 11 0 "[ . 1 . 2]" 1
1090 1 96 VAL H 1 96 VAL QG 2.900 . 3.190 2.188 1.884 2.667 . 0 0 "[ . 1 . 2]" 1
1091 1 96 VAL H 1 105 LEU QD 5.770 . 6.350 4.350 2.783 6.015 . 0 0 "[ . 1 . 2]" 1
1092 1 96 VAL QG 1 97 LEU QD 4.010 . 4.410 3.774 1.759 4.485 0.075 5 0 "[ . 1 . 2]" 1
1093 1 96 VAL QG 1 105 LEU QD 3.090 . 3.400 2.416 1.789 3.649 0.249 14 0 "[ . 1 . 2]" 1
1094 1 97 LEU H 1 97 LEU QD 4.430 . 4.870 3.110 1.890 4.075 . 0 0 "[ . 1 . 2]" 1
1095 1 97 LEU H 1 105 LEU QD 3.140 . 3.450 2.692 1.759 3.487 0.041 6 0 "[ . 1 . 2]" 1
1096 1 97 LEU QD 1 98 PHE H 3.980 . 4.380 3.261 1.791 4.411 0.031 11 0 "[ . 1 . 2]" 1
1097 1 97 LEU QD 1 98 PHE QD 4.960 . 5.460 3.469 2.336 4.608 . 0 0 "[ . 1 . 2]" 1
1098 1 97 LEU QD 1 98 PHE QE 3.590 . 3.950 3.434 2.670 4.115 0.165 16 0 "[ . 1 . 2]" 1
1099 1 97 LEU QD 1 98 PHE HZ 4.370 . 4.810 4.593 3.106 5.007 0.197 8 0 "[ . 1 . 2]" 1
1100 1 98 PHE H 1 98 PHE QB 3.180 . 3.500 2.724 2.447 3.441 . 0 0 "[ . 1 . 2]" 1
1101 1 105 LEU H 1 105 LEU QD 4.520 . 4.970 3.134 2.778 3.623 . 0 0 "[ . 1 . 2]" 1
1102 1 105 LEU H 1 106 VAL QG 5.180 . 5.700 4.223 3.257 5.198 . 0 0 "[ . 1 . 2]" 1
1103 1 105 LEU QD 1 106 VAL H 4.460 . 4.910 3.886 3.160 4.281 . 0 0 "[ . 1 . 2]" 1
1104 1 105 LEU QD 1 106 VAL QG 3.710 . 4.080 3.968 3.290 4.365 0.285 5 0 "[ . 1 . 2]" 1
1105 1 106 VAL H 1 106 VAL QG 2.730 . 3.000 2.390 1.837 2.870 . 0 0 "[ . 1 . 2]" 1
1106 1 106 VAL QG 1 116 MET ME 4.690 . 5.160 4.260 3.652 5.304 0.144 7 0 "[ . 1 . 2]" 1
1107 1 106 VAL QG 1 117 THR MG 3.500 . 3.850 2.152 1.904 2.515 . 0 0 "[ . 1 . 2]" 1
1108 1 106 VAL QG 1 118 THR H 4.710 . 5.180 4.752 3.951 5.293 0.113 4 0 "[ . 1 . 2]" 1
1109 1 134 MET ME 1 140 VAL QG 4.010 . 4.410 3.698 2.886 4.501 0.091 18 0 "[ . 1 . 2]" 1
1110 1 137 LEU MD1 1 140 VAL QG 3.520 . 3.870 2.742 1.794 3.618 0.006 8 0 "[ . 1 . 2]" 1
1111 1 137 LEU MD2 1 140 VAL QG 4.100 . 4.510 3.884 2.677 4.627 0.117 10 0 "[ . 1 . 2]" 1
1112 1 139 ALA H 1 140 VAL QG 4.790 . 5.270 3.981 3.374 4.716 . 0 0 "[ . 1 . 2]" 1
1113 1 139 ALA MB 1 140 VAL QG 4.600 . 5.060 2.880 2.129 4.558 . 0 0 "[ . 1 . 2]" 1
1114 1 140 VAL H 1 140 VAL QG 2.650 . 2.920 2.242 1.902 2.779 . 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 180
_Distance_constraint_stats_list.Viol_count 1428
_Distance_constraint_stats_list.Viol_total 961.923
_Distance_constraint_stats_list.Viol_max 0.133
_Distance_constraint_stats_list.Viol_rms 0.0226
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0134
_Distance_constraint_stats_list.Viol_average_violations_only 0.0337
_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 1 MET 0.208 0.062 17 0 "[ . 1 . 2]"
1 2 THR 0.574 0.065 6 0 "[ . 1 . 2]"
1 3 SER 0.604 0.074 13 0 "[ . 1 . 2]"
1 4 THR 0.979 0.097 14 0 "[ . 1 . 2]"
1 5 VAL 0.666 0.067 7 0 "[ . 1 . 2]"
1 6 GLU 1.262 0.072 13 0 "[ . 1 . 2]"
1 7 PHE 1.915 0.101 19 0 "[ . 1 . 2]"
1 8 ILE 1.016 0.097 14 0 "[ . 1 . 2]"
1 9 ASN 0.608 0.067 7 0 "[ . 1 . 2]"
1 10 ARG 0.943 0.072 13 0 "[ . 1 . 2]"
1 11 TRP 1.494 0.101 19 0 "[ . 1 . 2]"
1 12 GLN 0.134 0.041 17 0 "[ . 1 . 2]"
1 13 ARG 0.152 0.037 8 0 "[ . 1 . 2]"
1 14 ILE 0.254 0.043 16 0 "[ . 1 . 2]"
1 15 ALA 1.853 0.105 11 0 "[ . 1 . 2]"
1 16 LEU 0.931 0.072 13 0 "[ . 1 . 2]"
1 17 LEU 0.002 0.002 16 0 "[ . 1 . 2]"
1 18 SER 0.176 0.038 12 0 "[ . 1 . 2]"
1 19 GLN 3.455 0.113 9 0 "[ . 1 . 2]"
1 20 SER 1.026 0.072 13 0 "[ . 1 . 2]"
1 21 LEU 0.024 0.014 19 0 "[ . 1 . 2]"
1 22 LEU 0.309 0.064 2 0 "[ . 1 . 2]"
1 23 GLU 2.914 0.113 9 0 "[ . 1 . 2]"
1 24 LEU 0.192 0.054 16 0 "[ . 1 . 2]"
1 25 ALA 0.024 0.014 19 0 "[ . 1 . 2]"
1 26 GLN 0.133 0.064 2 0 "[ . 1 . 2]"
1 27 ARG 1.128 0.103 6 0 "[ . 1 . 2]"
1 30 TRP 0.446 0.063 13 0 "[ . 1 . 2]"
1 31 ASP 0.546 0.078 1 0 "[ . 1 . 2]"
1 33 LEU 0.702 0.075 2 0 "[ . 1 . 2]"
1 34 LEU 0.446 0.063 13 0 "[ . 1 . 2]"
1 35 GLN 0.546 0.078 1 0 "[ . 1 . 2]"
1 36 GLN 0.002 0.002 8 0 "[ . 1 . 2]"
1 37 GLU 1.265 0.075 2 0 "[ . 1 . 2]"
1 38 VAL 0.672 0.060 13 0 "[ . 1 . 2]"
1 39 SER 0.659 0.061 11 0 "[ . 1 . 2]"
1 40 TYR 0.257 0.046 10 0 "[ . 1 . 2]"
1 41 LEU 1.431 0.070 15 0 "[ . 1 . 2]"
1 42 GLN 1.067 0.060 13 0 "[ . 1 . 2]"
1 43 SER 2.222 0.094 10 0 "[ . 1 . 2]"
1 44 ILE 2.388 0.101 1 0 "[ . 1 . 2]"
1 45 GLU 1.470 0.074 17 0 "[ . 1 . 2]"
1 46 THR 0.395 0.045 4 0 "[ . 1 . 2]"
1 47 VAL 1.563 0.094 10 0 "[ . 1 . 2]"
1 48 MET 2.133 0.101 1 0 "[ . 1 . 2]"
1 49 GLU 0.602 0.074 17 0 "[ . 1 . 2]"
1 57 THR 0.183 0.064 1 0 "[ . 1 . 2]"
1 58 ARG 0.154 0.065 14 0 "[ . 1 . 2]"
1 59 SER 1.990 0.133 17 0 "[ . 1 . 2]"
1 60 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.218 0.064 1 0 "[ . 1 . 2]"
1 62 ASP 0.380 0.065 14 0 "[ . 1 . 2]"
1 63 MET 2.587 0.133 17 0 "[ . 1 . 2]"
1 64 VAL 0.012 0.012 10 0 "[ . 1 . 2]"
1 65 ALA 0.212 0.063 7 0 "[ . 1 . 2]"
1 66 GLY 1.032 0.101 12 0 "[ . 1 . 2]"
1 67 TYR 0.599 0.119 8 0 "[ . 1 . 2]"
1 68 ILE 0.172 0.051 10 0 "[ . 1 . 2]"
1 69 LYS 2.051 0.097 9 0 "[ . 1 . 2]"
1 70 GLN 0.927 0.101 12 0 "[ . 1 . 2]"
1 71 THR 0.057 0.029 14 0 "[ . 1 . 2]"
1 72 LEU 0.342 0.051 10 0 "[ . 1 . 2]"
1 73 ASP 3.141 0.097 9 0 "[ . 1 . 2]"
1 74 ASN 0.120 0.054 5 0 "[ . 1 . 2]"
1 75 GLU 0.059 0.029 14 0 "[ . 1 . 2]"
1 76 GLN 0.904 0.092 1 0 "[ . 1 . 2]"
1 77 LEU 1.920 0.095 16 0 "[ . 1 . 2]"
1 78 LEU 0.002 0.002 8 0 "[ . 1 . 2]"
1 79 LYS 0.652 0.065 11 0 "[ . 1 . 2]"
1 80 GLY 2.303 0.127 4 0 "[ . 1 . 2]"
1 81 LEU 0.727 0.058 5 0 "[ . 1 . 2]"
1 82 LEU 0.049 0.021 10 0 "[ . 1 . 2]"
1 83 GLN 1.179 0.070 8 0 "[ . 1 . 2]"
1 84 GLN 2.723 0.127 4 0 "[ . 1 . 2]"
1 85 ARG 0.132 0.052 9 0 "[ . 1 . 2]"
1 86 LEU 0.115 0.021 10 0 "[ . 1 . 2]"
1 87 ASP 2.168 0.097 10 0 "[ . 1 . 2]"
1 88 GLU 1.260 0.123 12 0 "[ . 1 . 2]"
1 89 LEU 0.125 0.060 3 0 "[ . 1 . 2]"
1 90 SER 0.441 0.071 16 0 "[ . 1 . 2]"
1 91 SER 1.637 0.097 10 0 "[ . 1 . 2]"
1 92 LEU 0.120 0.036 11 0 "[ . 1 . 2]"
1 93 ILE 0.067 0.060 3 0 "[ . 1 . 2]"
1 94 GLY 0.374 0.071 16 0 "[ . 1 . 2]"
1 113 ILE 0.520 0.074 12 0 "[ . 1 . 2]"
1 114 GLU 0.799 0.082 7 0 "[ . 1 . 2]"
1 115 GLY 0.863 0.068 11 0 "[ . 1 . 2]"
1 116 MET 0.729 0.084 5 0 "[ . 1 . 2]"
1 117 THR 0.520 0.074 12 0 "[ . 1 . 2]"
1 118 THR 2.681 0.129 13 0 "[ . 1 . 2]"
1 119 ARG 0.866 0.068 11 0 "[ . 1 . 2]"
1 120 LEU 0.776 0.084 5 0 "[ . 1 . 2]"
1 121 THR 1.281 0.087 13 0 "[ . 1 . 2]"
1 122 ARG 2.654 0.129 13 0 "[ . 1 . 2]"
1 123 TRP 0.004 0.004 2 0 "[ . 1 . 2]"
1 124 LEU 0.284 0.054 5 0 "[ . 1 . 2]"
1 125 THR 1.483 0.087 13 0 "[ . 1 . 2]"
1 126 ALA 1.471 0.079 17 0 "[ . 1 . 2]"
1 127 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ASP 0.817 0.084 17 0 "[ . 1 . 2]"
1 129 ASN 1.062 0.115 14 0 "[ . 1 . 2]"
1 130 PHE 0.700 0.062 12 0 "[ . 1 . 2]"
1 131 GLU 1.087 0.070 16 0 "[ . 1 . 2]"
1 132 ALA 1.655 0.093 4 0 "[ . 1 . 2]"
1 133 LYS 0.860 0.115 14 0 "[ . 1 . 2]"
1 134 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 ALA 1.087 0.070 16 0 "[ . 1 . 2]"
1 136 LEU 1.074 0.093 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 ILE O 1 117 THR H 1.900 . 2.100 2.054 1.956 2.132 0.032 12 0 "[ . 1 . 2]" 2
2 1 113 ILE O 1 117 THR N 2.850 2.700 3.000 3.003 2.892 3.074 0.074 12 0 "[ . 1 . 2]" 2
3 1 114 GLU O 1 118 THR H 1.900 . 2.100 2.059 1.925 2.146 0.046 10 0 "[ . 1 . 2]" 2
4 1 114 GLU O 1 118 THR N 2.850 2.700 3.000 3.004 2.841 3.082 0.082 7 0 "[ . 1 . 2]" 2
5 1 115 GLY O 1 119 ARG H 1.900 . 2.100 2.088 2.002 2.155 0.055 10 0 "[ . 1 . 2]" 2
6 1 115 GLY O 1 119 ARG N 2.850 2.700 3.000 3.021 2.942 3.068 0.068 11 0 "[ . 1 . 2]" 2
7 1 116 MET O 1 120 LEU H 1.900 . 2.100 2.085 2.014 2.149 0.049 19 0 "[ . 1 . 2]" 2
8 1 116 MET O 1 120 LEU N 2.850 2.700 3.000 3.021 2.943 3.084 0.084 5 0 "[ . 1 . 2]" 2
9 1 117 THR O 1 121 THR H 1.900 . 2.100 1.998 1.932 2.061 . 0 0 "[ . 1 . 2]" 2
10 1 117 THR O 1 121 THR N 2.850 2.700 3.000 2.881 2.773 2.951 . 0 0 "[ . 1 . 2]" 2
11 1 118 THR O 1 122 ARG H 1.900 . 2.100 2.116 2.048 2.151 0.051 13 0 "[ . 1 . 2]" 2
12 1 118 THR O 1 122 ARG N 2.850 2.700 3.000 3.074 3.007 3.129 0.129 13 0 "[ . 1 . 2]" 2
13 1 119 ARG O 1 123 TRP H 1.900 . 2.100 2.005 1.933 2.104 0.004 2 0 "[ . 1 . 2]" 2
14 1 119 ARG O 1 123 TRP N 2.850 2.700 3.000 2.828 2.743 2.923 . 0 0 "[ . 1 . 2]" 2
15 1 120 LEU O 1 124 LEU H 1.900 . 2.100 2.046 1.977 2.141 0.041 2 0 "[ . 1 . 2]" 2
16 1 120 LEU O 1 124 LEU N 2.850 2.700 3.000 2.888 2.791 2.970 . 0 0 "[ . 1 . 2]" 2
17 1 121 THR O 1 125 THR H 1.900 . 2.100 2.118 2.057 2.158 0.058 3 0 "[ . 1 . 2]" 2
18 1 121 THR O 1 125 THR N 2.850 2.700 3.000 3.042 2.977 3.087 0.087 13 0 "[ . 1 . 2]" 2
19 1 122 ARG O 1 126 ALA H 1.900 . 2.100 2.130 2.048 2.179 0.079 17 0 "[ . 1 . 2]" 2
20 1 122 ARG O 1 126 ALA N 2.850 2.700 3.000 2.972 2.903 3.022 0.022 11 0 "[ . 1 . 2]" 2
21 1 123 TRP O 1 127 LEU H 1.900 . 2.100 1.995 1.948 2.063 . 0 0 "[ . 1 . 2]" 2
22 1 123 TRP O 1 127 LEU N 2.850 2.700 3.000 2.815 2.770 2.872 . 0 0 "[ . 1 . 2]" 2
23 1 124 LEU O 1 128 ASP H 1.900 . 2.100 2.069 2.008 2.154 0.054 5 0 "[ . 1 . 2]" 2
24 1 124 LEU O 1 128 ASP N 2.850 2.700 3.000 2.979 2.880 3.032 0.032 4 0 "[ . 1 . 2]" 2
25 1 125 THR O 1 129 ASN H 1.900 . 2.100 2.089 1.977 2.141 0.041 8 0 "[ . 1 . 2]" 2
26 1 125 THR O 1 129 ASN N 2.850 2.700 3.000 2.939 2.843 3.014 0.014 9 0 "[ . 1 . 2]" 2
27 1 126 ALA O 1 130 PHE H 1.900 . 2.100 2.110 2.087 2.133 0.033 5 0 "[ . 1 . 2]" 2
28 1 126 ALA O 1 130 PHE N 2.850 2.700 3.000 3.020 2.965 3.062 0.062 12 0 "[ . 1 . 2]" 2
29 1 127 LEU O 1 131 GLU H 1.900 . 2.100 1.960 1.914 2.020 . 0 0 "[ . 1 . 2]" 2
30 1 127 LEU O 1 131 GLU N 2.850 2.700 3.000 2.917 2.857 2.992 . 0 0 "[ . 1 . 2]" 2
31 1 128 ASP O 1 132 ALA H 1.900 . 2.100 2.090 2.039 2.140 0.040 17 0 "[ . 1 . 2]" 2
32 1 128 ASP O 1 132 ALA N 2.850 2.700 3.000 3.018 2.943 3.084 0.084 17 0 "[ . 1 . 2]" 2
33 1 129 ASN O 1 133 LYS H 1.900 . 2.100 2.063 1.946 2.136 0.036 14 0 "[ . 1 . 2]" 2
34 1 129 ASN O 1 133 LYS N 2.850 2.700 3.000 3.023 2.919 3.115 0.115 14 0 "[ . 1 . 2]" 2
35 1 130 PHE O 1 134 MET H 1.900 . 2.100 1.935 1.893 1.984 . 0 0 "[ . 1 . 2]" 2
36 1 130 PHE O 1 134 MET N 2.850 2.700 3.000 2.827 2.788 2.882 . 0 0 "[ . 1 . 2]" 2
37 1 131 GLU O 1 135 ALA H 1.900 . 2.100 2.137 2.100 2.170 0.070 16 0 "[ . 1 . 2]" 2
38 1 131 GLU O 1 135 ALA N 2.850 2.700 3.000 3.009 2.951 3.052 0.052 16 0 "[ . 1 . 2]" 2
39 1 132 ALA O 1 136 LEU H 1.900 . 2.100 2.149 2.114 2.193 0.093 4 0 "[ . 1 . 2]" 2
40 1 132 ALA O 1 136 LEU N 2.850 2.700 3.000 2.959 2.834 3.020 0.020 20 0 "[ . 1 . 2]" 2
41 1 1 MET O 1 5 VAL H 1.900 . 2.100 2.013 1.884 2.100 0.000 17 0 "[ . 1 . 2]" 2
42 1 1 MET O 1 5 VAL N 2.850 2.700 3.000 2.964 2.839 3.062 0.062 17 0 "[ . 1 . 2]" 2
43 1 2 THR O 1 6 GLU H 1.900 . 2.100 2.067 2.002 2.141 0.041 12 0 "[ . 1 . 2]" 2
44 1 2 THR O 1 6 GLU N 2.850 2.700 3.000 3.012 2.929 3.065 0.065 6 0 "[ . 1 . 2]" 2
45 1 3 SER O 1 7 PHE H 1.900 . 2.100 2.096 2.020 2.145 0.045 13 0 "[ . 1 . 2]" 2
46 1 3 SER O 1 7 PHE N 2.850 2.700 3.000 3.016 2.957 3.074 0.074 13 0 "[ . 1 . 2]" 2
47 1 4 THR O 1 8 ILE H 1.900 . 2.100 2.077 1.998 2.134 0.034 14 0 "[ . 1 . 2]" 2
48 1 4 THR O 1 8 ILE N 2.850 2.700 3.000 3.043 2.956 3.097 0.097 14 0 "[ . 1 . 2]" 2
49 1 5 VAL O 1 9 ASN H 1.900 . 2.100 2.062 1.947 2.162 0.062 7 0 "[ . 1 . 2]" 2
50 1 5 VAL O 1 9 ASN N 2.850 2.700 3.000 2.968 2.853 3.067 0.067 7 0 "[ . 1 . 2]" 2
51 1 6 GLU O 1 10 ARG H 1.900 . 2.100 2.069 1.938 2.171 0.071 11 0 "[ . 1 . 2]" 2
52 1 6 GLU O 1 10 ARG N 2.850 2.700 3.000 2.964 2.773 3.072 0.072 13 0 "[ . 1 . 2]" 2
53 1 7 PHE O 1 11 TRP H 1.900 . 2.100 2.090 2.009 2.125 0.025 4 0 "[ . 1 . 2]" 2
54 1 7 PHE O 1 11 TRP N 2.850 2.700 3.000 3.055 2.907 3.101 0.101 19 0 "[ . 1 . 2]" 2
55 1 8 ILE O 1 12 GLN H 1.900 . 2.100 2.010 1.916 2.122 0.022 4 0 "[ . 1 . 2]" 2
56 1 8 ILE O 1 12 GLN N 2.850 2.700 3.000 2.879 2.798 3.016 0.016 4 0 "[ . 1 . 2]" 2
57 1 9 ASN O 1 13 ARG H 1.900 . 2.100 2.070 1.975 2.114 0.014 9 0 "[ . 1 . 2]" 2
58 1 9 ASN O 1 13 ARG N 2.850 2.700 3.000 2.953 2.818 3.037 0.037 8 0 "[ . 1 . 2]" 2
59 1 10 ARG O 1 14 ILE H 1.900 . 2.100 2.054 1.960 2.110 0.010 19 0 "[ . 1 . 2]" 2
60 1 10 ARG O 1 14 ILE N 2.850 2.700 3.000 2.965 2.850 3.043 0.043 16 0 "[ . 1 . 2]" 2
61 1 11 TRP O 1 15 ALA H 1.900 . 2.100 2.089 2.043 2.127 0.027 4 0 "[ . 1 . 2]" 2
62 1 11 TRP O 1 15 ALA N 2.850 2.700 3.000 2.983 2.911 3.040 0.040 20 0 "[ . 1 . 2]" 2
63 1 12 GLN O 1 16 LEU H 1.900 . 2.100 2.042 1.954 2.104 0.004 19 0 "[ . 1 . 2]" 2
64 1 12 GLN O 1 16 LEU N 2.850 2.700 3.000 2.983 2.885 3.041 0.041 17 0 "[ . 1 . 2]" 2
65 1 13 ARG O 1 17 LEU H 1.900 . 2.100 1.965 1.910 2.087 . 0 0 "[ . 1 . 2]" 2
66 1 13 ARG O 1 17 LEU N 2.850 2.700 3.000 2.867 2.792 3.002 0.002 16 0 "[ . 1 . 2]" 2
67 1 14 ILE O 1 18 SER H 1.900 . 2.100 1.975 1.941 2.049 . 0 0 "[ . 1 . 2]" 2
68 1 14 ILE O 1 18 SER N 2.850 2.700 3.000 2.893 2.742 2.989 . 0 0 "[ . 1 . 2]" 2
69 1 15 ALA O 1 19 GLN H 1.900 . 2.100 2.129 2.094 2.145 0.045 3 0 "[ . 1 . 2]" 2
70 1 15 ALA O 1 19 GLN N 2.850 2.700 3.000 3.054 3.021 3.105 0.105 11 0 "[ . 1 . 2]" 2
71 1 16 LEU O 1 20 SER H 1.900 . 2.100 2.095 2.029 2.144 0.044 2 0 "[ . 1 . 2]" 2
72 1 16 LEU O 1 20 SER N 2.850 2.700 3.000 3.023 2.959 3.072 0.072 13 0 "[ . 1 . 2]" 2
73 1 17 LEU O 1 21 LEU H 1.900 . 2.100 1.897 1.877 1.932 . 0 0 "[ . 1 . 2]" 2
74 1 17 LEU O 1 21 LEU N 2.850 2.700 3.000 2.839 2.799 2.892 . 0 0 "[ . 1 . 2]" 2
75 1 18 SER O 1 22 LEU H 1.900 . 2.100 2.086 2.013 2.138 0.038 12 0 "[ . 1 . 2]" 2
76 1 18 SER O 1 22 LEU N 2.850 2.700 3.000 2.892 2.810 2.954 . 0 0 "[ . 1 . 2]" 2
77 1 19 GLN O 1 23 GLU H 1.900 . 2.100 2.116 2.056 2.152 0.052 13 0 "[ . 1 . 2]" 2
78 1 19 GLN O 1 23 GLU N 2.850 2.700 3.000 3.070 3.017 3.113 0.113 9 0 "[ . 1 . 2]" 2
79 1 20 SER O 1 24 LEU H 1.900 . 2.100 2.046 1.948 2.121 0.021 18 0 "[ . 1 . 2]" 2
80 1 20 SER O 1 24 LEU N 2.850 2.700 3.000 2.963 2.877 3.054 0.054 16 0 "[ . 1 . 2]" 2
81 1 21 LEU O 1 25 ALA H 1.900 . 2.100 2.040 1.983 2.099 . 0 0 "[ . 1 . 2]" 2
82 1 21 LEU O 1 25 ALA N 2.850 2.700 3.000 2.897 2.785 3.014 0.014 19 0 "[ . 1 . 2]" 2
83 1 22 LEU O 1 26 GLN H 1.900 . 2.100 2.035 1.931 2.106 0.006 2 0 "[ . 1 . 2]" 2
84 1 22 LEU O 1 26 GLN N 2.850 2.700 3.000 2.952 2.820 3.064 0.064 2 0 "[ . 1 . 2]" 2
85 1 23 GLU O 1 27 ARG H 1.900 . 2.100 2.142 2.077 2.203 0.103 6 0 "[ . 1 . 2]" 2
86 1 23 GLU O 1 27 ARG N 2.850 2.700 3.000 2.959 2.852 3.070 0.070 7 0 "[ . 1 . 2]" 2
87 1 30 TRP O 1 34 LEU H 1.900 . 2.100 2.081 2.006 2.128 0.028 13 0 "[ . 1 . 2]" 2
88 1 30 TRP O 1 34 LEU N 2.850 2.700 3.000 2.994 2.867 3.063 0.063 13 0 "[ . 1 . 2]" 2
89 1 31 ASP O 1 35 GLN H 1.900 . 2.100 2.117 2.049 2.178 0.078 1 0 "[ . 1 . 2]" 2
90 1 31 ASP O 1 35 GLN N 2.850 2.700 3.000 2.923 2.844 3.030 0.030 1 0 "[ . 1 . 2]" 2
91 1 33 LEU O 1 37 GLU H 1.900 . 2.100 2.129 2.020 2.175 0.075 2 0 "[ . 1 . 2]" 2
92 1 33 LEU O 1 37 GLU N 2.850 2.700 3.000 2.776 2.725 2.819 . 0 0 "[ . 1 . 2]" 2
93 1 36 GLN O 1 40 TYR H 1.900 . 2.100 2.018 1.944 2.089 . 0 0 "[ . 1 . 2]" 2
94 1 36 GLN O 1 40 TYR N 2.850 2.700 3.000 2.919 2.760 3.002 0.002 8 0 "[ . 1 . 2]" 2
95 1 37 GLU O 1 41 LEU H 1.900 . 2.100 2.059 1.985 2.103 0.003 15 0 "[ . 1 . 2]" 2
96 1 37 GLU O 1 41 LEU N 2.850 2.700 3.000 3.024 2.952 3.070 0.070 15 0 "[ . 1 . 2]" 2
97 1 38 VAL O 1 42 GLN H 1.900 . 2.100 2.115 2.008 2.160 0.060 13 0 "[ . 1 . 2]" 2
98 1 38 VAL O 1 42 GLN N 2.850 2.700 3.000 2.979 2.827 3.055 0.055 4 0 "[ . 1 . 2]" 2
99 1 39 SER O 1 43 SER H 1.900 . 2.100 2.108 2.044 2.134 0.034 17 0 "[ . 1 . 2]" 2
100 1 39 SER O 1 43 SER N 2.850 2.700 3.000 3.014 2.861 3.061 0.061 11 0 "[ . 1 . 2]" 2
101 1 40 TYR O 1 44 ILE H 1.900 . 2.100 2.075 2.029 2.122 0.022 2 0 "[ . 1 . 2]" 2
102 1 40 TYR O 1 44 ILE N 2.850 2.700 3.000 2.999 2.954 3.046 0.046 10 0 "[ . 1 . 2]" 2
103 1 41 LEU O 1 45 GLU H 1.900 . 2.100 2.107 2.035 2.142 0.042 14 0 "[ . 1 . 2]" 2
104 1 41 LEU O 1 45 GLU N 2.850 2.700 3.000 3.025 2.962 3.065 0.065 1 0 "[ . 1 . 2]" 2
105 1 42 GLN O 1 46 THR H 1.900 . 2.100 2.067 1.970 2.144 0.044 6 0 "[ . 1 . 2]" 2
106 1 42 GLN O 1 46 THR N 2.850 2.700 3.000 2.985 2.882 3.045 0.045 4 0 "[ . 1 . 2]" 2
107 1 43 SER O 1 47 VAL H 1.900 . 2.100 2.142 2.020 2.168 0.068 5 0 "[ . 1 . 2]" 2
108 1 43 SER O 1 47 VAL N 2.850 2.700 3.000 3.025 2.845 3.094 0.094 10 0 "[ . 1 . 2]" 2
109 1 44 ILE O 1 48 MET H 1.900 . 2.100 2.146 2.118 2.201 0.101 1 0 "[ . 1 . 2]" 2
110 1 44 ILE O 1 48 MET N 2.850 2.700 3.000 3.060 3.021 3.096 0.096 1 0 "[ . 1 . 2]" 2
111 1 45 GLU O 1 49 GLU H 1.900 . 2.100 2.122 1.997 2.174 0.074 17 0 "[ . 1 . 2]" 2
112 1 45 GLU O 1 49 GLU N 2.850 2.700 3.000 2.933 2.823 3.022 0.022 13 0 "[ . 1 . 2]" 2
113 1 57 THR O 1 61 GLN H 1.900 . 2.100 2.016 1.914 2.115 0.015 1 0 "[ . 1 . 2]" 2
114 1 57 THR O 1 61 GLN N 2.850 2.700 3.000 2.968 2.864 3.064 0.064 1 0 "[ . 1 . 2]" 2
115 1 58 ARG O 1 62 ASP H 1.900 . 2.100 2.052 1.977 2.120 0.020 14 0 "[ . 1 . 2]" 2
116 1 58 ARG O 1 62 ASP N 2.850 2.700 3.000 2.932 2.828 3.065 0.065 14 0 "[ . 1 . 2]" 2
117 1 59 SER O 1 63 MET H 1.900 . 2.100 2.113 2.057 2.148 0.048 17 0 "[ . 1 . 2]" 2
118 1 59 SER O 1 63 MET N 2.850 2.700 3.000 3.082 3.017 3.133 0.133 17 0 "[ . 1 . 2]" 2
119 1 60 ILE O 1 64 VAL H 1.900 . 2.100 1.968 1.908 2.061 . 0 0 "[ . 1 . 2]" 2
120 1 60 ILE O 1 64 VAL N 2.850 2.700 3.000 2.908 2.851 2.990 . 0 0 "[ . 1 . 2]" 2
121 1 61 GLN O 1 65 ALA H 1.900 . 2.100 2.027 1.950 2.119 0.019 20 0 "[ . 1 . 2]" 2
122 1 61 GLN O 1 65 ALA N 2.850 2.700 3.000 2.897 2.783 2.997 . 0 0 "[ . 1 . 2]" 2
123 1 62 ASP O 1 66 GLY H 1.900 . 2.100 2.098 2.049 2.140 0.040 14 0 "[ . 1 . 2]" 2
124 1 62 ASP O 1 66 GLY N 2.850 2.700 3.000 2.950 2.874 3.048 0.048 14 0 "[ . 1 . 2]" 2
125 1 63 MET O 1 67 TYR H 1.900 . 2.100 2.096 2.019 2.155 0.055 8 0 "[ . 1 . 2]" 2
126 1 63 MET O 1 67 TYR N 2.850 2.700 3.000 3.013 2.931 3.119 0.119 8 0 "[ . 1 . 2]" 2
127 1 64 VAL O 1 68 ILE H 1.900 . 2.100 1.961 1.919 2.021 . 0 0 "[ . 1 . 2]" 2
128 1 64 VAL O 1 68 ILE N 2.850 2.700 3.000 2.774 2.688 2.857 0.012 10 0 "[ . 1 . 2]" 2
129 1 65 ALA O 1 69 LYS H 1.900 . 2.100 2.040 1.980 2.104 0.004 10 0 "[ . 1 . 2]" 2
130 1 65 ALA O 1 69 LYS N 2.850 2.700 3.000 2.967 2.820 3.063 0.063 7 0 "[ . 1 . 2]" 2
131 1 66 GLY O 1 70 GLN H 1.900 . 2.100 2.101 2.030 2.161 0.061 2 0 "[ . 1 . 2]" 2
132 1 66 GLY O 1 70 GLN N 2.850 2.700 3.000 3.018 2.951 3.101 0.101 12 0 "[ . 1 . 2]" 2
133 1 67 TYR O 1 71 THR H 1.900 . 2.100 2.012 1.982 2.062 . 0 0 "[ . 1 . 2]" 2
134 1 67 TYR O 1 71 THR N 2.850 2.700 3.000 2.948 2.890 3.002 0.002 20 0 "[ . 1 . 2]" 2
135 1 68 ILE O 1 72 LEU H 1.900 . 2.100 2.027 1.963 2.122 0.022 20 0 "[ . 1 . 2]" 2
136 1 68 ILE O 1 72 LEU N 2.850 2.700 3.000 2.959 2.869 3.051 0.051 10 0 "[ . 1 . 2]" 2
137 1 69 LYS O 1 73 ASP H 1.900 . 2.100 2.144 2.044 2.179 0.079 19 0 "[ . 1 . 2]" 2
138 1 69 LYS O 1 73 ASP N 2.850 2.700 3.000 3.043 2.944 3.097 0.097 9 0 "[ . 1 . 2]" 2
139 1 70 GLN O 1 74 ASN H 1.900 . 2.100 1.997 1.910 2.103 0.003 10 0 "[ . 1 . 2]" 2
140 1 70 GLN O 1 74 ASN N 2.850 2.700 3.000 2.945 2.866 3.054 0.054 5 0 "[ . 1 . 2]" 2
141 1 71 THR O 1 75 GLU H 1.900 . 2.100 2.023 1.971 2.129 0.029 14 0 "[ . 1 . 2]" 2
142 1 71 THR O 1 75 GLU N 2.850 2.700 3.000 2.879 2.811 2.971 . 0 0 "[ . 1 . 2]" 2
143 1 72 LEU O 1 76 GLN H 1.900 . 2.100 2.097 1.996 2.132 0.032 1 0 "[ . 1 . 2]" 2
144 1 72 LEU O 1 76 GLN N 2.850 2.700 3.000 2.912 2.788 3.018 0.018 17 0 "[ . 1 . 2]" 2
145 1 73 ASP O 1 77 LEU H 1.900 . 2.100 2.107 2.075 2.158 0.058 16 0 "[ . 1 . 2]" 2
146 1 73 ASP O 1 77 LEU N 2.850 2.700 3.000 3.051 3.018 3.095 0.095 16 0 "[ . 1 . 2]" 2
147 1 74 ASN O 1 78 LEU H 1.900 . 2.100 2.023 1.939 2.085 . 0 0 "[ . 1 . 2]" 2
148 1 74 ASN O 1 78 LEU N 2.850 2.700 3.000 2.888 2.804 2.955 . 0 0 "[ . 1 . 2]" 2
149 1 75 GLU O 1 79 LYS H 1.900 . 2.100 1.911 1.856 1.975 . 0 0 "[ . 1 . 2]" 2
150 1 75 GLU O 1 79 LYS N 2.850 2.700 3.000 2.795 2.696 2.888 0.004 8 0 "[ . 1 . 2]" 2
151 1 76 GLN O 1 80 GLY H 1.900 . 2.100 2.101 2.025 2.158 0.058 16 0 "[ . 1 . 2]" 2
152 1 76 GLN O 1 80 GLY N 2.850 2.700 3.000 3.005 2.924 3.092 0.092 1 0 "[ . 1 . 2]" 2
153 1 77 LEU O 1 81 LEU H 1.900 . 2.100 2.097 2.064 2.118 0.018 5 0 "[ . 1 . 2]" 2
154 1 77 LEU O 1 81 LEU N 2.850 2.700 3.000 3.028 2.979 3.058 0.058 5 0 "[ . 1 . 2]" 2
155 1 78 LEU O 1 82 LEU H 1.900 . 2.100 1.953 1.885 2.086 . 0 0 "[ . 1 . 2]" 2
156 1 78 LEU O 1 82 LEU N 2.850 2.700 3.000 2.877 2.792 3.002 0.002 8 0 "[ . 1 . 2]" 2
157 1 79 LYS O 1 83 GLN H 1.900 . 2.100 2.124 2.087 2.165 0.065 11 0 "[ . 1 . 2]" 2
158 1 79 LYS O 1 83 GLN N 2.850 2.700 3.000 2.975 2.884 3.032 0.032 11 0 "[ . 1 . 2]" 2
159 1 80 GLY O 1 84 GLN H 1.900 . 2.100 2.112 2.073 2.153 0.053 4 0 "[ . 1 . 2]" 2
160 1 80 GLY O 1 84 GLN N 2.850 2.700 3.000 3.063 3.026 3.127 0.127 4 0 "[ . 1 . 2]" 2
161 1 81 LEU O 1 85 ARG H 1.900 . 2.100 2.029 1.917 2.125 0.025 9 0 "[ . 1 . 2]" 2
162 1 81 LEU O 1 85 ARG N 2.850 2.700 3.000 2.834 2.739 3.015 0.015 19 0 "[ . 1 . 2]" 2
163 1 82 LEU O 1 86 LEU H 1.900 . 2.100 2.014 1.929 2.062 . 0 0 "[ . 1 . 2]" 2
164 1 82 LEU O 1 86 LEU N 2.850 2.700 3.000 2.947 2.843 3.021 0.021 10 0 "[ . 1 . 2]" 2
165 1 83 GLN O 1 87 ASP H 1.900 . 2.100 2.079 1.929 2.157 0.057 1 0 "[ . 1 . 2]" 2
166 1 83 GLN O 1 87 ASP N 2.850 2.700 3.000 2.935 2.728 3.070 0.070 8 0 "[ . 1 . 2]" 2
167 1 84 GLN O 1 88 GLU H 1.900 . 2.100 2.099 1.990 2.157 0.057 12 0 "[ . 1 . 2]" 2
168 1 84 GLN O 1 88 GLU N 2.850 2.700 3.000 3.025 2.832 3.123 0.123 12 0 "[ . 1 . 2]" 2
169 1 85 ARG O 1 89 LEU H 1.900 . 2.100 1.947 1.894 2.094 . 0 0 "[ . 1 . 2]" 2
170 1 85 ARG O 1 89 LEU N 2.850 2.700 3.000 2.902 2.846 3.052 0.052 9 0 "[ . 1 . 2]" 2
171 1 86 LEU O 1 90 SER H 1.900 . 2.100 2.035 1.961 2.117 0.017 2 0 "[ . 1 . 2]" 2
172 1 86 LEU O 1 90 SER N 2.850 2.700 3.000 2.933 2.840 3.010 0.010 4 0 "[ . 1 . 2]" 2
173 1 87 ASP O 1 91 SER H 1.900 . 2.100 2.145 2.096 2.179 0.079 15 0 "[ . 1 . 2]" 2
174 1 87 ASP O 1 91 SER N 2.850 2.700 3.000 3.031 2.916 3.097 0.097 10 0 "[ . 1 . 2]" 2
175 1 88 GLU O 1 92 LEU H 1.900 . 2.100 2.069 1.987 2.136 0.036 11 0 "[ . 1 . 2]" 2
176 1 88 GLU O 1 92 LEU N 2.850 2.700 3.000 2.865 2.791 2.972 . 0 0 "[ . 1 . 2]" 2
177 1 89 LEU O 1 93 ILE H 1.900 . 2.100 2.022 1.932 2.088 . 0 0 "[ . 1 . 2]" 2
178 1 89 LEU O 1 93 ILE N 2.850 2.700 3.000 2.932 2.837 3.060 0.060 3 0 "[ . 1 . 2]" 2
179 1 90 SER O 1 94 GLY H 1.900 . 2.100 2.090 1.981 2.171 0.071 16 0 "[ . 1 . 2]" 2
180 1 90 SER O 1 94 GLY N 2.850 2.700 3.000 2.929 2.716 3.050 0.050 9 0 "[ . 1 . 2]" 2
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