NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
510225 |
2l5e   |
17270 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l5e
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 1536
_Distance_constraint_stats_list.Viol_count 3179
_Distance_constraint_stats_list.Viol_total 5493.196
_Distance_constraint_stats_list.Viol_max 1.000
_Distance_constraint_stats_list.Viol_rms 0.0489
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0089
_Distance_constraint_stats_list.Viol_average_violations_only 0.0864
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 0.260 0.066 7 0 "[ . 1 . 2]"
1 3 LEU 0.140 0.124 16 0 "[ . 1 . 2]"
1 4 GLY 7.714 0.873 18 9 "[ * . -* *** * *+ 2]"
1 5 SER 16.761 0.973 17 9 "[ * . -* *** * +* 2]"
1 6 GLU 3.293 0.821 17 1 "[ . 1 . + 2]"
1 7 VAL 1.514 0.095 1 0 "[ . 1 . 2]"
1 8 SER 4.291 0.283 11 0 "[ . 1 . 2]"
1 9 ASN 2.558 0.554 9 1 "[ . +1 . 2]"
1 10 PRO 3.040 0.230 3 0 "[ . 1 . 2]"
1 11 SER 7.244 1.000 3 3 "[ + . -1 . *]"
1 12 LYS 14.535 1.000 3 6 "[* + . * *1 .* -]"
1 13 PRO 9.284 0.943 1 3 "[+* . 1- . 2]"
1 14 GLY 3.336 0.570 1 2 "[+ . 1- . 2]"
1 15 ARG 2.008 0.788 10 2 "[ - . + . 2]"
1 16 LYS 7.082 0.879 17 8 "[ * .** 1** - + *2]"
1 17 THR 4.728 0.227 13 0 "[ . 1 . 2]"
1 18 ASN 3.239 0.765 15 1 "[ . 1 + 2]"
1 19 GLN 7.210 0.592 10 2 "[ . + -. 2]"
1 20 LEU 0.469 0.072 15 0 "[ . 1 . 2]"
1 21 GLN 0.730 0.078 20 0 "[ . 1 . 2]"
1 22 TYR 9.882 0.528 8 1 "[ . + 1 . 2]"
1 23 MET 8.152 0.190 6 0 "[ . 1 . 2]"
1 24 GLN 5.869 0.925 3 1 "[ + . 1 . 2]"
1 25 ASN 6.363 0.925 3 1 "[ + . 1 . 2]"
1 26 VAL 7.413 0.190 6 0 "[ . 1 . 2]"
1 27 VAL 1.881 0.123 16 0 "[ . 1 . 2]"
1 28 VAL 3.281 0.155 14 0 "[ . 1 . 2]"
1 29 LYS 4.829 0.334 17 0 "[ . 1 . 2]"
1 30 THR 0.440 0.156 20 0 "[ . 1 . 2]"
1 31 LEU 4.350 0.183 17 0 "[ . 1 . 2]"
1 32 TRP 1.913 0.330 11 0 "[ . 1 . 2]"
1 33 LYS 2.943 0.204 10 0 "[ . 1 . 2]"
1 34 HIS 2.386 0.115 12 0 "[ . 1 . 2]"
1 35 GLN 0.496 0.064 16 0 "[ . 1 . 2]"
1 36 PHE 0.746 0.240 6 0 "[ . 1 . 2]"
1 37 ALA 0.113 0.020 10 0 "[ . 1 . 2]"
1 38 TRP 6.628 0.943 10 1 "[ . + . 2]"
1 39 PRO 0.050 0.023 19 0 "[ . 1 . 2]"
1 40 PHE 4.046 0.733 18 1 "[ . 1 . + 2]"
1 41 TYR 3.757 0.851 12 1 "[ . 1 + . 2]"
1 42 GLN 1.550 0.333 3 0 "[ . 1 . 2]"
1 43 PRO 0.224 0.071 16 0 "[ . 1 . 2]"
1 44 VAL 3.016 0.740 20 3 "[ . *1- . +]"
1 45 ASP 1.050 0.119 3 0 "[ . 1 . 2]"
1 46 ALA 1.379 0.115 20 0 "[ . 1 . 2]"
1 47 ILE 2.630 0.686 5 2 "[ + 1 - . 2]"
1 48 LYS 0.281 0.081 15 0 "[ . 1 . 2]"
1 49 LEU 3.018 0.630 5 2 "[ + 1 - . 2]"
1 50 ASN 2.726 0.206 20 0 "[ . 1 . 2]"
1 51 LEU 1.202 0.094 2 0 "[ . 1 . 2]"
1 52 PRO 0.594 0.115 20 0 "[ . 1 . 2]"
1 53 ASP 1.770 0.312 15 0 "[ . 1 . 2]"
1 54 TYR 0.374 0.080 5 0 "[ . 1 . 2]"
1 55 HIS 0.891 0.114 15 0 "[ . 1 . 2]"
1 56 LYS 7.381 0.966 2 6 "[*+ .- 1* * *]"
1 57 ILE 2.034 0.112 2 0 "[ . 1 . 2]"
1 58 ILE 2.450 0.103 3 0 "[ . 1 . 2]"
1 59 LYS 2.335 0.665 17 2 "[ . - . + 2]"
1 60 ASN 4.217 0.659 10 1 "[ . + . 2]"
1 61 PRO 1.573 0.266 5 0 "[ . 1 . 2]"
1 62 MET 7.643 0.740 20 3 "[ . *1- . +]"
1 63 ASP 3.940 0.851 12 1 "[ . 1 + . 2]"
1 64 MET 7.160 0.358 12 0 "[ . 1 . 2]"
1 65 GLY 5.834 0.310 19 0 "[ . 1 . 2]"
1 66 THR 7.098 0.358 12 0 "[ . 1 . 2]"
1 67 ILE 4.669 0.122 7 0 "[ . 1 . 2]"
1 68 LYS 2.345 0.673 9 1 "[ . +1 . 2]"
1 69 LYS 9.823 0.768 10 7 "[ -. **+ ** . *2]"
1 70 ARG 11.280 0.768 10 6 "[ -. * + ** . *2]"
1 71 LEU 1.562 0.102 3 0 "[ . 1 . 2]"
1 72 GLU 1.500 0.082 17 0 "[ . 1 . 2]"
1 73 ASN 0.598 0.063 13 0 "[ . 1 . 2]"
1 74 ASN 1.112 0.594 12 1 "[ . 1 + . 2]"
1 75 TYR 8.730 0.650 16 2 "[ . 1 .+ -]"
1 76 TYR 5.496 0.297 8 0 "[ . 1 . 2]"
1 77 TRP 12.128 0.943 1 4 "[+- . ** . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ALA 0.470 0.073 20 0 "[ . 1 . 2]"
1 80 SER 0.137 0.043 10 0 "[ . 1 . 2]"
1 81 GLU 3.757 0.297 8 0 "[ . 1 . 2]"
1 82 CYS 0.982 0.113 19 0 "[ . 1 . 2]"
1 83 MET 1.858 0.187 19 0 "[ . 1 . 2]"
1 84 GLN 0.906 0.088 17 0 "[ . 1 . 2]"
1 85 ASP 0.977 0.091 18 0 "[ . 1 . 2]"
1 86 PHE 2.374 0.091 5 0 "[ . 1 . 2]"
1 87 ASN 0.918 0.111 3 0 "[ . 1 . 2]"
1 88 THR 3.313 0.430 18 0 "[ . 1 . 2]"
1 89 MET 2.316 0.475 16 0 "[ . 1 . 2]"
1 90 PHE 2.783 0.188 13 0 "[ . 1 . 2]"
1 91 THR 3.397 0.188 13 0 "[ . 1 . 2]"
1 92 ASN 3.050 0.197 3 0 "[ . 1 . 2]"
1 93 CYS 1.726 0.425 9 0 "[ . 1 . 2]"
1 94 TYR 1.689 0.132 7 0 "[ . 1 . 2]"
1 95 ILE 1.987 0.127 17 0 "[ . 1 . 2]"
1 96 TYR 1.542 0.257 17 0 "[ . 1 . 2]"
1 97 ASN 2.957 0.257 17 0 "[ . 1 . 2]"
1 98 LYS 0.951 0.449 1 0 "[ . 1 . 2]"
1 99 PRO 0.078 0.051 17 0 "[ . 1 . 2]"
1 100 THR 0.061 0.044 15 0 "[ . 1 . 2]"
1 101 ASP 2.177 0.299 18 0 "[ . 1 . 2]"
1 102 ASP 1.214 0.084 9 0 "[ . 1 . 2]"
1 103 ILE 5.203 0.733 18 1 "[ . 1 . + 2]"
1 104 VAL 4.928 0.299 18 0 "[ . 1 . 2]"
1 105 LEU 2.399 0.445 12 0 "[ . 1 . 2]"
1 106 MET 8.733 0.943 10 1 "[ . + . 2]"
1 107 ALA 0.519 0.139 6 0 "[ . 1 . 2]"
1 108 GLN 2.698 0.487 20 0 "[ . 1 . 2]"
1 109 ALA 1.629 0.487 20 0 "[ . 1 . 2]"
1 110 LEU 4.137 0.169 13 0 "[ . 1 . 2]"
1 111 GLU 1.770 0.204 17 0 "[ . 1 . 2]"
1 112 LYS 4.545 0.583 7 1 "[ . + 1 . 2]"
1 113 ILE 1.752 0.313 13 0 "[ . 1 . 2]"
1 114 PHE 2.665 0.157 8 0 "[ . 1 . 2]"
1 115 LEU 0.650 0.089 9 0 "[ . 1 . 2]"
1 116 GLN 6.096 0.182 17 0 "[ . 1 . 2]"
1 117 LYS 1.335 0.115 14 0 "[ . 1 . 2]"
1 118 VAL 4.788 0.161 3 0 "[ . 1 . 2]"
1 119 ALA 5.337 0.521 16 2 "[ - 1 .+ 2]"
1 120 GLN 5.587 0.521 16 2 "[ - 1 .+ 2]"
1 121 MET 9.721 0.626 8 3 "[ . + * -. 2]"
1 122 PRO 2.026 0.213 2 0 "[ . 1 . 2]"
1 123 GLN 14.335 0.860 1 4 "[+ . * 1 * .* 2]"
1 124 GLU 9.357 0.603 20 1 "[ . 1 . +]"
1 125 GLU 3.021 0.213 2 0 "[ . 1 . 2]"
1 126 VAL 1.320 0.191 13 0 "[ . 1 . 2]"
1 127 GLU 9.991 0.879 17 8 "[ * .** 1** - + *2]"
1 128 LEU 8.101 0.765 15 1 "[ . 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 8 SER HA 1 75 TYR QE 2.900 . 3.900 3.939 3.724 4.084 0.184 8 0 "[ . 1 . 2]" 1
2 1 22 TYR QD 1 27 VAL MG2 3.300 . 4.600 2.989 2.827 3.093 . 0 0 "[ . 1 . 2]" 1
3 1 32 TRP HB2 1 32 TRP HE3 3.200 . 4.500 2.495 2.444 2.564 . 0 0 "[ . 1 . 2]" 1
4 1 32 TRP HB3 1 32 TRP HE3 3.100 . 4.300 4.055 4.009 4.110 . 0 0 "[ . 1 . 2]" 1
5 1 28 VAL QG 1 32 TRP HE3 2.600 . 3.500 2.677 2.270 3.035 . 0 0 "[ . 1 . 2]" 1
6 1 32 TRP HE3 1 67 ILE MG 4.100 . 6.000 5.840 5.598 6.013 0.013 7 0 "[ . 1 . 2]" 1
7 1 38 TRP HB2 1 38 TRP HD1 2.800 . 3.800 3.834 3.816 3.859 0.059 11 0 "[ . 1 . 2]" 1
8 1 38 TRP HB3 1 38 TRP HD1 2.700 . 3.600 2.719 2.679 2.787 . 0 0 "[ . 1 . 2]" 1
9 1 38 TRP HD1 1 106 MET HB3 3.800 . 5.600 5.680 5.599 6.322 0.722 10 1 "[ . + . 2]" 1
10 1 36 PHE HA 1 38 TRP HD1 3.200 . 4.500 2.346 2.150 2.551 . 0 0 "[ . 1 . 2]" 1
11 1 38 TRP HZ2 1 106 MET ME 2.500 . 3.300 2.940 2.415 3.317 0.017 10 0 "[ . 1 . 2]" 1
12 1 32 TRP HZ3 1 65 GLY HA2 3.300 . 4.600 2.380 2.020 2.866 . 0 0 "[ . 1 . 2]" 1
13 1 32 TRP HZ3 1 65 GLY HA3 3.500 . 5.000 3.690 3.294 4.371 . 0 0 "[ . 1 . 2]" 1
14 1 32 TRP HZ2 1 41 TYR QD 3.000 . 4.100 4.003 3.831 4.143 0.043 7 0 "[ . 1 . 2]" 1
15 1 32 TRP HD1 1 41 TYR QE 3.200 . 4.500 3.881 3.511 4.192 . 0 0 "[ . 1 . 2]" 1
16 1 32 TRP HD1 1 33 LYS HA 2.900 . 4.000 3.597 3.438 3.718 . 0 0 "[ . 1 . 2]" 1
17 1 32 TRP HA 1 32 TRP HD1 3.000 . 4.100 3.863 3.703 4.046 . 0 0 "[ . 1 . 2]" 1
18 1 32 TRP HB2 1 32 TRP HD1 2.600 . 6.000 3.843 3.809 3.866 . 0 0 "[ . 1 . 2]" 1
19 1 32 TRP HB3 1 32 TRP HD1 2.400 . 3.100 2.721 2.658 2.775 . 0 0 "[ . 1 . 2]" 1
20 1 17 THR MG 1 77 TRP HZ2 6.000 . 6.000 5.169 4.882 5.591 . 0 0 "[ . 1 . 2]" 1
21 1 34 HIS HB2 1 34 HIS HD2 2.400 . 3.100 2.895 2.815 2.985 . 0 0 "[ . 1 . 2]" 1
22 1 34 HIS HD2 1 110 LEU MD1 3.300 . 4.600 4.569 4.383 4.655 0.055 15 0 "[ . 1 . 2]" 1
23 1 22 TYR QE 1 118 VAL HA 3.300 . 4.700 3.982 3.105 4.577 . 0 0 "[ . 1 . 2]" 1
24 1 22 TYR QE 1 27 VAL MG2 2.300 . 3.000 2.900 2.381 3.123 0.123 16 0 "[ . 1 . 2]" 1
25 1 76 TYR HA 1 77 TRP HE3 3.300 . 6.000 5.999 4.976 6.231 0.231 20 0 "[ . 1 . 2]" 1
26 1 38 TRP HB2 1 38 TRP HE3 3.400 . 4.800 2.510 2.441 2.557 . 0 0 "[ . 1 . 2]" 1
27 1 38 TRP HB3 1 38 TRP HE3 3.500 . 5.000 4.065 3.991 4.104 . 0 0 "[ . 1 . 2]" 1
28 1 38 TRP HE3 1 39 PRO HA 4.300 . 6.000 3.611 3.350 4.011 . 0 0 "[ . 1 . 2]" 1
29 1 13 PRO HB2 1 77 TRP HZ3 5.900 . 6.000 2.699 2.073 3.315 . 0 0 "[ . 1 . 2]" 1
30 1 38 TRP HH2 1 38 TRP HZ3 2.500 . 3.300 2.441 2.439 2.443 . 0 0 "[ . 1 . 2]" 1
31 1 77 TRP HD1 1 78 SER HA 3.400 . 4.900 3.809 3.318 4.194 . 0 0 "[ . 1 . 2]" 1
32 1 36 PHE HA 1 36 PHE QE 3.200 . 4.500 4.141 4.046 4.346 . 0 0 "[ . 1 . 2]" 1
33 1 94 TYR HB3 1 94 TYR QD 3.300 . 4.700 2.699 2.478 2.772 . 0 0 "[ . 1 . 2]" 1
34 1 27 VAL MG2 1 114 PHE HZ 2.700 . 6.000 5.945 5.702 6.034 0.034 20 0 "[ . 1 . 2]" 1
35 1 83 MET ME 1 114 PHE HZ 3.000 . 4.100 3.251 2.583 4.117 0.017 15 0 "[ . 1 . 2]" 1
36 1 77 TRP HD1 1 78 SER QB 2.800 . 3.800 2.803 2.311 3.628 . 0 0 "[ . 1 . 2]" 1
37 1 86 PHE QB 1 86 PHE QD 3.500 . 5.100 2.130 2.122 2.145 . 0 0 "[ . 1 . 2]" 1
38 1 86 PHE H 1 86 PHE QD 3.800 . 5.600 3.405 2.717 3.746 . 0 0 "[ . 1 . 2]" 1
39 1 34 HIS HE1 1 36 PHE QE 2.600 . 6.000 4.822 4.040 5.270 . 0 0 "[ . 1 . 2]" 1
40 1 34 HIS HE1 1 36 PHE HA 4.100 . 6.000 5.099 4.768 5.387 . 0 0 "[ . 1 . 2]" 1
41 1 34 HIS HE1 1 36 PHE HB3 3.300 . 4.600 3.484 3.156 3.797 . 0 0 "[ . 1 . 2]" 1
42 1 34 HIS HE1 1 109 ALA MB 2.300 . 3.000 2.514 2.314 2.743 . 0 0 "[ . 1 . 2]" 1
43 1 34 HIS HE1 1 110 LEU MD1 3.100 . 4.300 2.982 2.788 3.108 . 0 0 "[ . 1 . 2]" 1
44 1 34 HIS HE1 1 110 LEU HB2 2.500 . 6.000 6.050 5.824 6.100 0.100 7 0 "[ . 1 . 2]" 1
45 1 54 TYR QE 1 55 HIS HE1 4.300 . 6.000 5.344 4.019 6.068 0.068 4 0 "[ . 1 . 2]" 1
46 1 96 TYR HA 1 96 TYR QE 3.100 . 6.000 4.557 4.015 4.675 . 0 0 "[ . 1 . 2]" 1
47 1 51 LEU HA 1 96 TYR QE 3.400 . 6.000 5.162 3.876 5.946 . 0 0 "[ . 1 . 2]" 1
48 1 54 TYR HA 1 96 TYR QE 2.600 . 3.500 2.649 2.184 3.518 0.018 5 0 "[ . 1 . 2]" 1
49 1 94 TYR HA 1 94 TYR QE 3.100 . 4.300 4.318 4.227 4.432 0.132 7 0 "[ . 1 . 2]" 1
50 1 91 THR HA 1 94 TYR QE 4.000 . 6.000 4.304 3.670 5.173 . 0 0 "[ . 1 . 2]" 1
51 1 90 PHE HB3 1 94 TYR QE 2.600 . 3.500 2.966 2.663 3.478 . 0 0 "[ . 1 . 2]" 1
52 1 94 TYR QE 1 108 GLN HB2 2.700 . 6.000 4.399 3.092 5.619 . 0 0 "[ . 1 . 2]" 1
53 1 94 TYR QE 1 104 VAL MG1 2.400 . 3.100 2.537 2.125 3.119 0.019 18 0 "[ . 1 . 2]" 1
54 1 34 HIS HD2 1 113 ILE HB 2.800 . 6.000 5.549 4.442 6.002 0.002 15 0 "[ . 1 . 2]" 1
55 1 34 HIS HD2 1 113 ILE HG13 3.900 . 5.800 4.665 3.521 5.190 . 0 0 "[ . 1 . 2]" 1
56 1 20 LEU QD 1 76 TYR QE 3.000 . 4.100 3.308 1.994 4.139 0.039 19 0 "[ . 1 . 2]" 1
57 1 34 HIS HD2 1 113 ILE HG12 3.100 . 4.300 4.078 3.418 4.415 0.115 12 0 "[ . 1 . 2]" 1
58 1 70 ARG QB 1 76 TYR QE 3.400 . 4.800 2.627 1.912 3.007 0.088 7 0 "[ . 1 . 2]" 1
59 1 114 PHE HA 1 114 PHE HZ 3.600 . 6.000 6.097 6.046 6.157 0.157 8 0 "[ . 1 . 2]" 1
60 1 46 ALA MB 1 55 HIS HE1 2.900 . 3.900 3.280 2.862 3.919 0.019 17 0 "[ . 1 . 2]" 1
61 1 114 PHE HZ 1 118 VAL MG1 3.600 . 5.200 4.293 4.011 4.698 . 0 0 "[ . 1 . 2]" 1
62 1 54 TYR QE 1 96 TYR QD 3.900 . 5.800 2.864 2.199 3.351 . 0 0 "[ . 1 . 2]" 1
63 1 57 ILE QG 1 96 TYR QE 2.700 . 6.000 4.134 3.182 4.565 . 0 0 "[ . 1 . 2]" 1
64 1 32 TRP HD1 1 33 LYS QG 3.000 . 4.100 3.495 3.293 3.647 . 0 0 "[ . 1 . 2]" 1
65 1 34 HIS HE1 1 106 MET QG 3.800 . 5.600 5.435 5.095 5.704 0.104 6 0 "[ . 1 . 2]" 1
66 1 34 HIS HE1 1 113 ILE MD 4.000 . 6.000 4.540 3.788 4.966 . 0 0 "[ . 1 . 2]" 1
67 1 31 LEU MD1 1 86 PHE QD 2.600 . 3.400 3.434 3.206 3.487 0.087 1 0 "[ . 1 . 2]" 1
68 1 70 ARG H 1 75 TYR QD 4.100 . 6.000 6.049 5.877 6.154 0.154 1 0 "[ . 1 . 2]" 1
69 1 75 TYR QD 1 76 TYR QD 3.700 . 5.500 2.772 1.996 3.688 . 0 0 "[ . 1 . 2]" 1
70 1 75 TYR QB 1 75 TYR QD 3.100 . 4.300 2.147 2.121 2.210 . 0 0 "[ . 1 . 2]" 1
71 1 75 TYR QD 1 81 GLU HB3 4.800 . 6.000 5.279 4.861 5.959 . 0 0 "[ . 1 . 2]" 1
72 1 75 TYR QD 1 76 TYR QE 5.100 . 6.000 2.998 2.383 4.145 . 0 0 "[ . 1 . 2]" 1
73 1 91 THR MG 1 94 TYR QD 3.300 . 4.600 3.286 2.670 4.342 . 0 0 "[ . 1 . 2]" 1
74 1 94 TYR QD 1 104 VAL MG1 2.400 . 3.100 2.631 2.183 3.109 0.009 11 0 "[ . 1 . 2]" 1
75 1 94 TYR HB2 1 94 TYR QD 2.600 . 3.500 2.345 2.287 2.542 . 0 0 "[ . 1 . 2]" 1
76 1 114 PHE QD 1 118 VAL MG1 4.300 . 6.000 4.974 4.783 5.298 . 0 0 "[ . 1 . 2]" 1
77 1 31 LEU MD1 1 90 PHE QE 2.800 . 3.800 2.998 2.767 3.245 . 0 0 "[ . 1 . 2]" 1
78 1 40 PHE QE 1 110 LEU HB2 3.800 . 5.600 4.955 4.377 5.508 . 0 0 "[ . 1 . 2]" 1
79 1 36 PHE QD 1 38 TRP HD1 2.900 . 6.000 3.633 3.372 4.118 . 0 0 "[ . 1 . 2]" 1
80 1 77 TRP HD1 1 125 GLU QG 3.900 . 5.800 5.269 4.767 5.649 . 0 0 "[ . 1 . 2]" 1
81 1 15 ARG HG3 1 77 TRP HD1 3.600 . 5.200 4.654 3.861 5.988 0.788 10 2 "[ - . + . 2]" 1
82 1 17 THR MG 1 77 TRP HD1 3.200 . 4.400 2.251 2.034 2.407 . 0 0 "[ . 1 . 2]" 1
83 1 38 TRP HH2 1 39 PRO HG3 3.300 . 4.700 4.421 4.099 4.723 0.023 19 0 "[ . 1 . 2]" 1
84 1 32 TRP HH2 1 65 GLY HA2 3.300 . 4.600 2.676 2.354 3.002 . 0 0 "[ . 1 . 2]" 1
85 1 32 TRP HH2 1 65 GLY HA3 3.300 . 4.700 3.161 2.681 3.893 . 0 0 "[ . 1 . 2]" 1
86 1 32 TRP HZ3 1 64 MET HB2 3.300 . 4.700 4.376 3.857 5.030 0.330 11 0 "[ . 1 . 2]" 1
87 1 32 TRP HZ3 1 64 MET QG 3.800 . 5.600 3.754 2.638 4.601 . 0 0 "[ . 1 . 2]" 1
88 1 32 TRP HZ3 1 67 ILE MG 3.800 . 5.600 5.644 5.613 5.692 0.092 1 0 "[ . 1 . 2]" 1
89 1 75 TYR QE 1 76 TYR QE 2.700 . 6.000 4.125 2.947 5.577 . 0 0 "[ . 1 . 2]" 1
90 1 75 TYR QE 1 76 TYR QD 4.500 . 6.000 3.645 2.902 4.787 . 0 0 "[ . 1 . 2]" 1
91 1 12 LYS QE 1 75 TYR QE 2.500 . 3.300 2.945 2.518 3.327 0.027 14 0 "[ . 1 . 2]" 1
92 1 9 ASN HB3 1 75 TYR QE 2.700 . 3.600 3.314 2.848 3.680 0.080 1 0 "[ . 1 . 2]" 1
93 1 6 GLU QG 1 75 TYR QE 2.500 . 3.300 2.975 1.855 3.347 0.047 17 0 "[ . 1 . 2]" 1
94 1 6 GLU QB 1 75 TYR QE 2.700 . 3.600 2.355 1.890 3.517 . 0 0 "[ . 1 . 2]" 1
95 1 54 TYR QE 1 61 PRO HB3 4.400 . 6.000 3.195 2.501 4.087 . 0 0 "[ . 1 . 2]" 1
96 1 32 TRP HZ2 1 41 TYR HA 3.500 . 5.000 3.690 3.270 4.019 . 0 0 "[ . 1 . 2]" 1
97 1 32 TRP HZ2 1 42 GLN QG 3.500 . 6.000 5.920 5.550 6.058 0.058 9 0 "[ . 1 . 2]" 1
98 1 90 PHE QD 1 114 PHE QD 2.400 . 6.000 3.987 3.524 4.678 . 0 0 "[ . 1 . 2]" 1
99 1 12 LYS QE 1 75 TYR QD 3.700 . 5.400 3.672 2.522 4.157 . 0 0 "[ . 1 . 2]" 1
100 1 87 ASN HB3 1 88 THR H 2.400 . 3.100 2.656 2.384 3.116 0.016 1 0 "[ . 1 . 2]" 1
101 1 50 ASN HB3 1 51 LEU H 3.200 . 4.400 4.329 4.159 4.419 0.019 11 0 "[ . 1 . 2]" 1
102 1 50 ASN HA 1 51 LEU H 2.300 . 3.000 2.563 2.338 2.848 . 0 0 "[ . 1 . 2]" 1
103 1 25 ASN H 1 25 ASN HB2 2.200 . 2.800 2.405 2.325 2.469 . 0 0 "[ . 1 . 2]" 1
104 1 25 ASN H 1 25 ASN HA 2.800 . 3.800 2.898 2.888 2.905 . 0 0 "[ . 1 . 2]" 1
105 1 11 SER H 1 11 SER HB2 2.000 . 2.500 2.578 2.430 2.673 0.173 11 0 "[ . 1 . 2]" 1
106 1 74 ASN HA 1 75 TYR H 2.700 . 3.600 2.543 2.419 2.659 . 0 0 "[ . 1 . 2]" 1
107 1 75 TYR H 1 75 TYR HA 2.700 . 3.600 2.866 2.817 2.916 . 0 0 "[ . 1 . 2]" 1
108 1 95 ILE H 1 95 ILE HB 2.300 . 3.000 2.473 2.395 2.544 . 0 0 "[ . 1 . 2]" 1
109 1 97 ASN H 1 97 ASN HB2 2.700 . 3.600 2.575 2.383 2.902 . 0 0 "[ . 1 . 2]" 1
110 1 101 ASP HA 1 102 ASP H 3.300 . 4.600 2.349 2.205 2.511 . 0 0 "[ . 1 . 2]" 1
111 1 103 ILE H 1 103 ILE MG 2.800 . 3.800 2.023 1.831 2.271 . 0 0 "[ . 1 . 2]" 1
112 1 103 ILE H 1 103 ILE HG12 3.400 . 4.800 4.636 4.560 4.686 . 0 0 "[ . 1 . 2]" 1
113 1 105 LEU H 1 105 LEU HB3 2.600 . 3.500 3.347 3.198 3.455 . 0 0 "[ . 1 . 2]" 1
114 1 48 LYS QB 1 49 LEU H 2.200 . 6.000 2.821 2.300 3.801 . 0 0 "[ . 1 . 2]" 1
115 1 108 GLN HB2 1 108 GLN HE21 2.700 . 3.600 2.595 1.789 3.674 0.074 14 0 "[ . 1 . 2]" 1
116 1 77 TRP HE1 1 127 GLU HB3 3.300 . 6.000 5.519 5.041 6.026 0.026 20 0 "[ . 1 . 2]" 1
117 1 13 PRO HB2 1 77 TRP HE1 3.400 . 6.000 6.258 6.095 6.943 0.943 1 3 "[+- . 1* . 2]" 1
118 1 17 THR MG 1 77 TRP HE1 3.000 . 6.000 2.894 2.638 3.287 . 0 0 "[ . 1 . 2]" 1
119 1 77 TRP HB3 1 77 TRP HE1 3.600 . 5.300 4.906 4.868 4.963 . 0 0 "[ . 1 . 2]" 1
120 1 38 TRP HE1 1 106 MET ME 3.200 . 4.500 2.006 1.875 2.499 0.025 1 0 "[ . 1 . 2]" 1
121 1 36 PHE HA 1 38 TRP HE1 4.600 . 6.000 3.430 3.030 3.804 . 0 0 "[ . 1 . 2]" 1
122 1 32 TRP HA 1 32 TRP HE1 4.600 . 6.000 5.227 5.126 5.328 . 0 0 "[ . 1 . 2]" 1
123 1 15 ARG HH21 1 77 TRP HE1 3.700 . 5.400 4.314 3.155 5.415 0.015 3 0 "[ . 1 . 2]" 1
124 1 15 ARG HE 1 77 TRP HE1 4.500 . 6.000 3.370 2.558 4.112 . 0 0 "[ . 1 . 2]" 1
125 1 16 LYS HA 1 17 THR H 2.300 . 2.900 2.213 2.151 2.452 . 0 0 "[ . 1 . 2]" 1
126 1 9 ASN HB2 1 9 ASN HD21 2.300 . 3.000 2.172 2.112 2.860 . 0 0 "[ . 1 . 2]" 1
127 1 7 VAL QG 1 73 ASN HD22 2.900 . 3.900 2.622 2.220 2.979 . 0 0 "[ . 1 . 2]" 1
128 1 7 VAL HB 1 73 ASN HD22 3.300 . 6.000 5.386 5.139 5.744 . 0 0 "[ . 1 . 2]" 1
129 1 73 ASN HB2 1 73 ASN HD22 3.100 . 4.300 3.690 3.422 3.966 . 0 0 "[ . 1 . 2]" 1
130 1 73 ASN HB3 1 73 ASN HD22 3.000 . 4.100 3.648 3.433 3.985 . 0 0 "[ . 1 . 2]" 1
131 1 22 TYR HB3 1 23 MET H 2.900 . 4.000 2.167 2.095 2.246 . 0 0 "[ . 1 . 2]" 1
132 1 38 TRP H 1 38 TRP HB2 2.600 . 6.000 3.627 3.612 3.652 . 0 0 "[ . 1 . 2]" 1
133 1 38 TRP H 1 38 TRP HB3 2.700 . 3.600 2.595 2.518 2.764 . 0 0 "[ . 1 . 2]" 1
134 1 38 TRP H 1 38 TRP HD1 2.500 . 3.300 2.272 2.064 2.380 . 0 0 "[ . 1 . 2]" 1
135 1 37 ALA H 1 38 TRP H 2.800 . 3.800 2.528 2.407 2.718 . 0 0 "[ . 1 . 2]" 1
136 1 62 MET H 1 63 ASP HA 2.500 . 6.000 4.932 4.818 5.070 . 0 0 "[ . 1 . 2]" 1
137 1 62 MET H 1 88 THR MG 3.100 . 4.300 3.823 3.422 4.318 0.018 2 0 "[ . 1 . 2]" 1
138 1 58 ILE MG 1 62 MET H 3.300 . 4.600 3.498 3.224 3.814 . 0 0 "[ . 1 . 2]" 1
139 1 61 PRO HB2 1 62 MET H 3.200 . 4.500 4.166 4.001 4.302 . 0 0 "[ . 1 . 2]" 1
140 1 61 PRO HA 1 62 MET H 2.600 . 3.400 2.281 2.208 2.453 . 0 0 "[ . 1 . 2]" 1
141 1 23 MET H 1 79 ALA MB 2.900 . 4.000 3.258 2.807 3.636 . 0 0 "[ . 1 . 2]" 1
142 1 20 LEU QD 1 23 MET H 2.600 . 6.000 5.404 4.817 5.498 . 0 0 "[ . 1 . 2]" 1
143 1 65 GLY HA2 1 66 THR H 3.500 . 5.100 3.471 3.433 3.507 . 0 0 "[ . 1 . 2]" 1
144 1 66 THR H 1 67 ILE H 3.100 . 4.300 2.508 2.368 2.671 . 0 0 "[ . 1 . 2]" 1
145 1 103 ILE H 1 103 ILE MD 5.300 . 6.000 4.263 4.081 4.390 . 0 0 "[ . 1 . 2]" 1
146 1 103 ILE H 1 104 VAL H 3.800 . 5.600 2.631 2.545 2.759 . 0 0 "[ . 1 . 2]" 1
147 1 67 ILE H 1 67 ILE MD 2.600 . 3.400 3.060 2.094 3.522 0.122 7 0 "[ . 1 . 2]" 1
148 1 67 ILE H 1 67 ILE HB 2.800 . 3.800 2.403 2.288 2.619 . 0 0 "[ . 1 . 2]" 1
149 1 63 ASP HB2 1 67 ILE H 4.100 . 6.000 5.711 4.771 6.076 0.076 2 0 "[ . 1 . 2]" 1
150 1 24 GLN QB 1 24 GLN HE21 2.300 . 3.000 2.131 1.838 2.520 . 0 0 "[ . 1 . 2]" 1
151 1 24 GLN HE21 1 71 LEU HB3 3.500 . 5.100 2.843 1.985 3.918 . 0 0 "[ . 1 . 2]" 1
152 1 24 GLN HE21 1 24 GLN HG3 2.500 . 3.300 2.805 2.437 3.545 0.245 17 0 "[ . 1 . 2]" 1
153 1 111 GLU H 1 111 GLU HA 2.800 . 3.800 2.799 2.744 2.841 . 0 0 "[ . 1 . 2]" 1
154 1 108 GLN HA 1 111 GLU H 2.800 . 3.800 3.691 3.490 3.840 0.040 12 0 "[ . 1 . 2]" 1
155 1 87 ASN HA 1 89 MET H 2.900 . 6.000 4.593 4.430 4.726 . 0 0 "[ . 1 . 2]" 1
156 1 89 MET H 1 89 MET HA 2.900 . 3.900 2.769 2.750 2.799 . 0 0 "[ . 1 . 2]" 1
157 1 84 GLN HA 1 87 ASN HD21 3.400 . 4.800 3.665 2.930 4.548 . 0 0 "[ . 1 . 2]" 1
158 1 87 ASN H 1 87 ASN HD21 3.500 . 5.000 4.344 3.449 4.836 . 0 0 "[ . 1 . 2]" 1
159 1 50 ASN HB2 1 50 ASN HD21 2.300 . 2.900 2.471 2.194 2.961 0.061 18 0 "[ . 1 . 2]" 1
160 1 25 ASN HB2 1 25 ASN HD21 2.300 . 3.000 2.171 2.126 2.230 . 0 0 "[ . 1 . 2]" 1
161 1 25 ASN H 1 25 ASN HD21 4.200 . 6.000 2.662 2.377 3.299 . 0 0 "[ . 1 . 2]" 1
162 1 74 ASN HB2 1 74 ASN QD 2.500 . 3.300 2.744 2.162 3.353 0.053 20 0 "[ . 1 . 2]" 1
163 1 74 ASN HB3 1 74 ASN QD 3.000 . 4.100 2.863 2.062 3.353 . 0 0 "[ . 1 . 2]" 1
164 1 35 GLN QB 1 35 GLN HE21 2.800 . 3.800 3.586 3.129 3.800 0.000 19 0 "[ . 1 . 2]" 1
165 1 9 ASN HD22 1 12 LYS HB2 5.900 . 6.000 4.130 3.471 4.874 . 0 0 "[ . 1 . 2]" 1
166 1 70 ARG QB 1 70 ARG HE 3.200 . 4.400 2.544 2.095 3.365 . 0 0 "[ . 1 . 2]" 1
167 1 70 ARG HE 1 70 ARG HG2 3.300 . 4.600 2.789 2.124 3.975 . 0 0 "[ . 1 . 2]" 1
168 1 7 VAL MG2 1 70 ARG HE 2.700 . 6.000 5.496 4.652 6.023 0.023 20 0 "[ . 1 . 2]" 1
169 1 70 ARG HE 1 81 GLU HB3 3.800 . 5.600 5.684 5.376 5.765 0.165 8 0 "[ . 1 . 2]" 1
170 1 70 ARG HA 1 70 ARG HE 4.000 . 6.000 4.671 4.381 4.849 . 0 0 "[ . 1 . 2]" 1
171 1 70 ARG HE 1 75 TYR HA 3.600 . 6.000 6.099 5.862 6.259 0.259 3 0 "[ . 1 . 2]" 1
172 1 22 TYR H 1 22 TYR QD 2.900 . 6.000 4.146 4.118 4.163 . 0 0 "[ . 1 . 2]" 1
173 1 22 TYR H 1 22 TYR QE 2.700 . 6.000 6.172 6.151 6.188 0.188 8 0 "[ . 1 . 2]" 1
174 1 49 LEU H 1 50 ASN H 2.400 . 3.100 2.231 2.046 2.416 . 0 0 "[ . 1 . 2]" 1
175 1 40 PHE H 1 41 TYR QD 4.100 . 6.000 3.986 3.268 4.301 . 0 0 "[ . 1 . 2]" 1
176 1 113 ILE H 1 114 PHE H 2.500 . 3.300 2.464 2.386 2.543 . 0 0 "[ . 1 . 2]" 1
177 1 114 PHE H 1 114 PHE QD 2.900 . 6.000 4.171 4.147 4.189 . 0 0 "[ . 1 . 2]" 1
178 1 90 PHE QE 1 114 PHE H 3.400 . 4.800 4.787 4.592 4.915 0.115 17 0 "[ . 1 . 2]" 1
179 1 34 HIS H 1 35 GLN H 3.100 . 6.000 4.548 4.473 4.607 . 0 0 "[ . 1 . 2]" 1
180 1 34 HIS H 1 34 HIS QB 2.100 . 2.600 2.296 2.215 2.408 . 0 0 "[ . 1 . 2]" 1
181 1 32 TRP HB2 1 34 HIS H 3.500 . 6.000 5.461 5.346 5.542 . 0 0 "[ . 1 . 2]" 1
182 1 34 HIS H 1 110 LEU QD 3.100 . 6.000 4.859 4.646 4.973 . 0 0 "[ . 1 . 2]" 1
183 1 55 HIS H 1 55 HIS HA 2.900 . 3.900 2.868 2.845 2.893 . 0 0 "[ . 1 . 2]" 1
184 1 55 HIS H 1 55 HIS HB2 3.200 . 6.000 2.446 2.179 2.713 . 0 0 "[ . 1 . 2]" 1
185 1 96 TYR H 1 97 ASN H 3.000 . 4.100 2.585 2.460 3.058 . 0 0 "[ . 1 . 2]" 1
186 1 97 ASN H 1 98 LYS H 3.400 . 4.800 4.476 4.345 4.566 . 0 0 "[ . 1 . 2]" 1
187 1 96 TYR QD 1 97 ASN H 4.000 . 6.000 3.852 3.339 4.403 . 0 0 "[ . 1 . 2]" 1
188 1 96 TYR QE 1 97 ASN H 3.500 . 6.000 5.893 5.574 6.257 0.257 17 0 "[ . 1 . 2]" 1
189 1 97 ASN H 1 104 VAL MG2 3.300 . 4.600 4.053 3.736 4.323 . 0 0 "[ . 1 . 2]" 1
190 1 50 ASN HB3 1 50 ASN HD21 2.700 . 3.600 3.140 2.167 3.554 . 0 0 "[ . 1 . 2]" 1
191 1 97 ASN HA 1 98 LYS H 2.200 . 2.800 2.516 2.212 2.800 0.000 4 0 "[ . 1 . 2]" 1
192 1 53 ASP H 1 54 TYR H 2.500 . 3.300 2.419 2.196 2.793 . 0 0 "[ . 1 . 2]" 1
193 1 54 TYR H 1 56 LYS H 3.200 . 4.500 4.060 3.856 4.245 . 0 0 "[ . 1 . 2]" 1
194 1 54 TYR H 1 54 TYR HB3 2.600 . 3.400 2.888 2.613 3.116 . 0 0 "[ . 1 . 2]" 1
195 1 54 TYR H 1 54 TYR HB2 2.700 . 3.600 2.184 2.038 2.339 . 0 0 "[ . 1 . 2]" 1
196 1 46 ALA MB 1 54 TYR H 2.700 . 6.000 4.587 3.775 5.385 . 0 0 "[ . 1 . 2]" 1
197 1 51 LEU HB2 1 54 TYR H 2.800 . 6.000 4.554 3.720 5.243 . 0 0 "[ . 1 . 2]" 1
198 1 51 LEU QD 1 54 TYR H 3.900 . 5.800 4.237 3.470 4.905 . 0 0 "[ . 1 . 2]" 1
199 1 54 TYR H 1 54 TYR HA 2.700 . 3.600 2.803 2.761 2.836 . 0 0 "[ . 1 . 2]" 1
200 1 92 ASN H 1 94 TYR H 4.000 . 6.000 4.160 3.994 4.320 . 0 0 "[ . 1 . 2]" 1
201 1 92 ASN H 1 93 CYS H 2.900 . 3.900 2.906 2.757 3.017 . 0 0 "[ . 1 . 2]" 1
202 1 25 ASN QB 1 25 ASN HD22 2.500 . 3.300 3.264 3.224 3.291 . 0 0 "[ . 1 . 2]" 1
203 1 121 MET H 1 121 MET HA 2.500 . 3.300 2.834 2.804 2.866 . 0 0 "[ . 1 . 2]" 1
204 1 93 CYS H 1 94 TYR H 2.800 . 3.800 2.672 2.489 2.830 . 0 0 "[ . 1 . 2]" 1
205 1 92 ASN HB3 1 93 CYS H 3.500 . 5.000 2.949 2.670 3.182 . 0 0 "[ . 1 . 2]" 1
206 1 96 TYR H 1 96 TYR QD 3.200 . 6.000 4.198 4.101 4.226 . 0 0 "[ . 1 . 2]" 1
207 1 94 TYR HA 1 96 TYR H 2.700 . 6.000 4.982 4.831 5.247 . 0 0 "[ . 1 . 2]" 1
208 1 6 GLU HA 1 7 VAL H 1.900 . 2.300 2.177 2.068 2.395 0.095 1 0 "[ . 1 . 2]" 1
209 1 6 GLU QG 1 7 VAL H 2.700 . 3.600 3.488 3.379 3.588 . 0 0 "[ . 1 . 2]" 1
210 1 46 ALA H 1 48 LYS H 4.600 . 6.000 4.299 3.987 4.591 . 0 0 "[ . 1 . 2]" 1
211 1 48 LYS H 1 50 ASN H 4.700 . 6.000 3.803 3.557 4.078 . 0 0 "[ . 1 . 2]" 1
212 1 45 ASP HA 1 48 LYS H 3.700 . 5.400 5.077 4.417 5.445 0.045 13 0 "[ . 1 . 2]" 1
213 1 102 ASP H 1 102 ASP HB2 4.400 . 6.000 2.233 2.038 2.776 . 0 0 "[ . 1 . 2]" 1
214 1 101 ASP H 1 102 ASP H 3.200 . 4.500 4.551 4.475 4.584 0.084 9 0 "[ . 1 . 2]" 1
215 1 100 THR H 1 101 ASP H 2.400 . 3.100 2.506 2.168 2.809 . 0 0 "[ . 1 . 2]" 1
216 1 100 THR HA 1 101 ASP H 2.700 . 3.600 3.122 2.871 3.339 . 0 0 "[ . 1 . 2]" 1
217 1 101 ASP H 1 104 VAL HA 3.100 . 6.000 5.728 5.373 5.990 . 0 0 "[ . 1 . 2]" 1
218 1 101 ASP H 1 104 VAL HB 3.000 . 4.100 2.773 2.420 3.043 . 0 0 "[ . 1 . 2]" 1
219 1 98 LYS QB 1 101 ASP H 2.900 . 3.900 3.297 2.999 3.925 0.025 18 0 "[ . 1 . 2]" 1
220 1 31 LEU H 1 32 TRP H 2.900 . 4.000 2.593 2.509 2.673 . 0 0 "[ . 1 . 2]" 1
221 1 23 MET H 1 24 GLN H 2.800 . 3.800 2.642 2.565 2.752 . 0 0 "[ . 1 . 2]" 1
222 1 20 LEU H 1 21 GLN H 2.800 . 3.800 2.809 2.724 2.895 . 0 0 "[ . 1 . 2]" 1
223 1 19 GLN H 1 20 LEU H 2.700 . 3.600 2.655 2.466 2.785 . 0 0 "[ . 1 . 2]" 1
224 1 72 GLU H 1 73 ASN H 2.600 . 3.500 2.567 2.506 2.642 . 0 0 "[ . 1 . 2]" 1
225 1 72 GLU H 1 74 ASN H 3.600 . 5.200 3.950 3.774 4.117 . 0 0 "[ . 1 . 2]" 1
226 1 57 ILE H 1 58 ILE H 2.700 . 3.600 2.277 2.036 2.541 . 0 0 "[ . 1 . 2]" 1
227 1 102 ASP H 1 103 ILE H 3.600 . 5.200 2.617 2.470 2.803 . 0 0 "[ . 1 . 2]" 1
228 1 103 ILE H 1 103 ILE HB 2.800 . 3.800 2.673 2.561 2.809 . 0 0 "[ . 1 . 2]" 1
229 1 101 ASP H 1 103 ILE H 6.000 . 6.000 5.544 5.066 5.840 . 0 0 "[ . 1 . 2]" 1
230 1 2 PRO HA 1 3 LEU H 2.200 . 2.800 2.456 2.134 2.780 . 0 0 "[ . 1 . 2]" 1
231 1 2 PRO HB2 1 3 LEU H 2.700 . 3.600 2.745 2.011 3.616 0.016 7 0 "[ . 1 . 2]" 1
232 1 3 LEU H 1 3 LEU MD1 3.900 . 5.800 3.951 2.964 4.662 . 0 0 "[ . 1 . 2]" 1
233 1 3 LEU HA 1 4 GLY H 2.200 . 2.800 2.300 2.122 2.775 . 0 0 "[ . 1 . 2]" 1
234 1 4 GLY H 1 4 GLY QA 2.100 . 2.600 2.281 2.204 2.490 . 0 0 "[ . 1 . 2]" 1
235 1 3 LEU MD2 1 4 GLY H 3.600 . 5.200 4.329 2.131 5.324 0.124 16 0 "[ . 1 . 2]" 1
236 1 4 GLY HA3 1 5 SER H 2.100 . 2.700 2.927 2.133 3.573 0.873 18 9 "[ * . -* *** * *+ 2]" 1
237 1 5 SER H 1 5 SER HB3 2.200 . 2.800 2.886 2.576 3.773 0.973 17 2 "[ . - 1 . + 2]" 1
238 1 2 PRO QG 1 5 SER H 3.900 . 5.800 5.178 2.887 5.866 0.066 7 0 "[ . 1 . 2]" 1
239 1 3 LEU QD 1 5 SER H 3.500 . 6.000 5.033 3.800 5.742 . 0 0 "[ . 1 . 2]" 1
240 1 5 SER H 1 6 GLU H 3.000 . 6.000 4.492 4.322 4.634 . 0 0 "[ . 1 . 2]" 1
241 1 6 GLU H 1 7 VAL H 2.800 . 6.000 4.491 4.408 4.603 . 0 0 "[ . 1 . 2]" 1
242 1 5 SER HA 1 6 GLU H 2.000 . 2.500 2.308 2.125 2.569 0.069 20 0 "[ . 1 . 2]" 1
243 1 5 SER HB2 1 6 GLU H 2.400 . 3.100 2.876 2.209 3.921 0.821 17 1 "[ . 1 . + 2]" 1
244 1 6 GLU H 1 6 GLU QG 2.300 . 2.900 2.767 1.816 3.010 0.110 3 0 "[ . 1 . 2]" 1
245 1 6 GLU H 1 6 GLU QB 2.400 . 3.800 2.269 2.041 3.102 . 0 0 "[ . 1 . 2]" 1
246 1 6 GLU H 1 7 VAL QG 3.300 . 6.000 5.572 5.290 5.700 . 0 0 "[ . 1 . 2]" 1
247 1 7 VAL H 1 8 SER H 2.100 . 2.700 1.860 1.661 2.090 . 0 0 "[ . 1 . 2]" 1
248 1 8 SER H 1 8 SER HA 2.900 . 4.000 2.848 2.780 2.898 . 0 0 "[ . 1 . 2]" 1
249 1 6 GLU HA 1 8 SER H 2.900 . 3.900 3.415 3.155 3.789 . 0 0 "[ . 1 . 2]" 1
250 1 7 VAL HA 1 8 SER H 2.500 . 3.300 3.328 3.217 3.390 0.090 11 0 "[ . 1 . 2]" 1
251 1 8 SER H 1 8 SER QB 2.300 . 3.000 2.986 2.674 3.283 0.283 11 0 "[ . 1 . 2]" 1
252 1 6 GLU QG 1 8 SER H 2.600 . 3.500 3.428 3.186 3.505 0.005 8 0 "[ . 1 . 2]" 1
253 1 7 VAL MG1 1 8 SER H 2.200 . 2.800 2.589 2.308 2.811 0.011 13 0 "[ . 1 . 2]" 1
254 1 8 SER H 1 75 TYR QD 3.400 . 4.800 3.362 2.824 3.969 . 0 0 "[ . 1 . 2]" 1
255 1 8 SER H 1 75 TYR QE 4.000 . 6.000 3.815 3.468 4.184 . 0 0 "[ . 1 . 2]" 1
256 1 34 HIS HB3 1 37 ALA H 2.800 . 3.800 2.823 2.631 3.050 . 0 0 "[ . 1 . 2]" 1
257 1 8 SER H 1 73 ASN HB3 3.100 . 6.000 5.615 4.518 6.053 0.053 9 0 "[ . 1 . 2]" 1
258 1 114 PHE H 1 114 PHE HB2 2.600 . 3.500 2.628 2.543 2.736 . 0 0 "[ . 1 . 2]" 1
259 1 114 PHE H 1 114 PHE HB3 2.800 . 3.800 2.436 2.352 2.507 . 0 0 "[ . 1 . 2]" 1
260 1 9 ASN H 1 9 ASN HB2 2.900 . 3.900 3.192 2.936 3.372 . 0 0 "[ . 1 . 2]" 1
261 1 9 ASN H 1 9 ASN HB3 2.600 . 3.400 2.916 2.743 3.105 . 0 0 "[ . 1 . 2]" 1
262 1 8 SER HA 1 9 ASN H 2.300 . 3.000 2.212 2.158 2.288 . 0 0 "[ . 1 . 2]" 1
263 1 9 ASN H 1 9 ASN HA 2.600 . 3.400 2.913 2.868 2.942 . 0 0 "[ . 1 . 2]" 1
264 1 9 ASN H 1 75 TYR QD 3.100 . 4.300 3.146 2.564 3.942 . 0 0 "[ . 1 . 2]" 1
265 1 8 SER H 1 9 ASN H 3.000 . 4.100 4.153 3.840 4.226 0.126 12 0 "[ . 1 . 2]" 1
266 1 9 ASN H 1 75 TYR QE 3.200 . 4.500 3.906 3.591 4.461 . 0 0 "[ . 1 . 2]" 1
267 1 9 ASN HA 1 11 SER H 2.900 . 6.000 4.127 3.751 4.370 . 0 0 "[ . 1 . 2]" 1
268 1 9 ASN HD22 1 11 SER H 4.100 . 6.000 4.280 3.896 4.543 . 0 0 "[ . 1 . 2]" 1
269 1 11 SER H 1 12 LYS H 2.200 . 2.800 2.382 2.297 2.514 . 0 0 "[ . 1 . 2]" 1
270 1 9 ASN HB2 1 11 SER H 3.600 . 6.000 5.126 4.893 5.308 . 0 0 "[ . 1 . 2]" 1
271 1 10 PRO HB2 1 11 SER H 2.900 . 4.000 3.097 2.933 3.449 . 0 0 "[ . 1 . 2]" 1
272 1 12 LYS H 1 12 LYS HA 2.500 . 3.300 2.897 2.834 2.941 . 0 0 "[ . 1 . 2]" 1
273 1 11 SER HA 1 12 LYS H 2.100 . 6.000 3.438 3.388 3.511 . 0 0 "[ . 1 . 2]" 1
274 1 11 SER HB2 1 12 LYS H 2.300 . 3.000 3.062 2.559 4.000 1.000 3 3 "[ + . *1 . -]" 1
275 1 12 LYS H 1 13 PRO HD3 3.300 . 4.700 4.593 3.991 5.071 0.371 15 0 "[ . 1 . 2]" 1
276 1 9 ASN HB3 1 12 LYS H 3.100 . 4.300 2.944 2.416 3.252 . 0 0 "[ . 1 . 2]" 1
277 1 10 PRO HB2 1 12 LYS H 3.800 . 5.600 5.037 4.883 5.256 . 0 0 "[ . 1 . 2]" 1
278 1 10 PRO HG2 1 12 LYS H 3.000 . 4.100 4.252 4.195 4.330 0.230 3 0 "[ . 1 . 2]" 1
279 1 12 LYS H 1 12 LYS HB3 2.200 . 2.800 2.652 2.231 3.174 0.374 12 0 "[ . 1 . 2]" 1
280 1 13 PRO HB2 1 14 GLY H 2.500 . 3.300 3.397 2.935 3.870 0.570 1 2 "[+ . 1- . 2]" 1
281 1 14 GLY H 1 14 GLY HA3 2.400 . 3.100 2.628 2.514 2.780 . 0 0 "[ . 1 . 2]" 1
282 1 14 GLY H 1 14 GLY HA2 2.400 . 3.100 2.912 2.829 2.947 . 0 0 "[ . 1 . 2]" 1
283 1 13 PRO HA 1 14 GLY H 1.900 . 2.400 2.170 2.106 2.271 . 0 0 "[ . 1 . 2]" 1
284 1 14 GLY H 1 77 TRP HZ3 4.500 . 6.000 5.739 5.349 6.020 0.020 9 0 "[ . 1 . 2]" 1
285 1 14 GLY H 1 77 TRP HE3 3.600 . 5.200 5.218 4.981 5.310 0.110 15 0 "[ . 1 . 2]" 1
286 1 14 GLY H 1 15 ARG H 3.100 . 4.300 3.640 2.778 4.317 0.017 16 0 "[ . 1 . 2]" 1
287 1 51 LEU H 1 51 LEU QD 3.500 . 3.500 3.177 2.532 3.373 . 0 0 "[ . 1 . 2]" 1
288 1 51 LEU H 1 51 LEU HB2 2.900 . 4.000 2.648 2.352 2.988 . 0 0 "[ . 1 . 2]" 1
289 1 50 ASN HB2 1 51 LEU H 4.200 . 6.000 4.601 4.471 4.647 . 0 0 "[ . 1 . 2]" 1
290 1 46 ALA HA 1 51 LEU H 3.300 . 4.600 2.573 1.985 3.325 0.015 19 0 "[ . 1 . 2]" 1
291 1 50 ASN H 1 51 LEU H 2.400 . 3.100 2.886 2.617 3.113 0.013 3 0 "[ . 1 . 2]" 1
292 1 15 ARG QG 1 16 LYS H 3.500 . 5.000 3.900 2.096 4.503 . 0 0 "[ . 1 . 2]" 1
293 1 15 ARG HB3 1 16 LYS H 2.400 . 3.100 2.537 1.773 3.128 0.028 19 0 "[ . 1 . 2]" 1
294 1 16 LYS H 1 16 LYS QB 2.300 . 3.000 2.474 2.125 2.957 . 0 0 "[ . 1 . 2]" 1
295 1 16 LYS H 1 16 LYS QE 3.900 . 5.800 4.820 3.945 5.610 . 0 0 "[ . 1 . 2]" 1
296 1 15 ARG HE 1 16 LYS H 3.900 . 5.800 4.956 4.251 5.705 . 0 0 "[ . 1 . 2]" 1
297 1 16 LYS H 1 17 THR H 4.200 . 6.000 4.092 3.509 4.448 . 0 0 "[ . 1 . 2]" 1
298 1 16 LYS H 1 17 THR HA 4.700 . 6.000 4.876 4.485 5.274 . 0 0 "[ . 1 . 2]" 1
299 1 26 VAL H 1 27 VAL H 2.100 . 2.700 2.529 2.484 2.585 . 0 0 "[ . 1 . 2]" 1
300 1 26 VAL H 1 26 VAL MG2 2.100 . 2.700 2.511 2.388 2.592 . 0 0 "[ . 1 . 2]" 1
301 1 26 VAL H 1 26 VAL HB 3.300 . 4.600 2.446 2.417 2.469 . 0 0 "[ . 1 . 2]" 1
302 1 17 THR H 1 77 TRP HE1 6.000 . 6.000 5.991 5.632 6.058 0.058 9 0 "[ . 1 . 2]" 1
303 1 32 TRP HB2 1 33 LYS H 2.900 . 3.900 3.839 3.745 3.933 0.033 5 0 "[ . 1 . 2]" 1
304 1 33 LYS H 1 34 HIS H 2.500 . 3.300 2.615 2.465 2.839 . 0 0 "[ . 1 . 2]" 1
305 1 32 TRP HB3 1 33 LYS H 2.500 . 3.300 2.847 2.707 3.021 . 0 0 "[ . 1 . 2]" 1
306 1 33 LYS H 1 33 LYS HB2 2.000 . 2.500 2.277 2.116 2.419 . 0 0 "[ . 1 . 2]" 1
307 1 17 THR H 1 17 THR HA 2.800 . 3.800 2.927 2.897 2.940 . 0 0 "[ . 1 . 2]" 1
308 1 17 THR HA 1 18 ASN H 2.700 . 3.600 2.437 2.336 2.534 . 0 0 "[ . 1 . 2]" 1
309 1 17 THR HB 1 18 ASN H 2.800 . 3.800 2.440 2.166 2.696 . 0 0 "[ . 1 . 2]" 1
310 1 18 ASN H 1 125 GLU HA 4.200 . 6.000 4.916 4.491 5.620 . 0 0 "[ . 1 . 2]" 1
311 1 18 ASN H 1 18 ASN HB2 2.900 . 4.000 2.662 2.295 3.450 . 0 0 "[ . 1 . 2]" 1
312 1 17 THR H 1 18 ASN H 3.500 . 5.000 4.509 4.444 4.568 . 0 0 "[ . 1 . 2]" 1
313 1 18 ASN H 1 19 GLN H 2.900 . 4.000 2.712 2.577 2.857 . 0 0 "[ . 1 . 2]" 1
314 1 18 ASN H 1 20 LEU H 3.700 . 5.400 4.168 4.025 4.293 . 0 0 "[ . 1 . 2]" 1
315 1 18 ASN H 1 127 GLU HG3 3.300 . 6.000 5.043 4.795 5.660 . 0 0 "[ . 1 . 2]" 1
316 1 18 ASN H 1 128 LEU HG 2.800 . 3.800 2.654 2.383 3.103 . 0 0 "[ . 1 . 2]" 1
317 1 17 THR MG 1 19 GLN H 2.500 . 6.000 4.423 4.212 4.664 . 0 0 "[ . 1 . 2]" 1
318 1 19 GLN H 1 19 GLN HA 2.700 . 3.600 2.812 2.770 2.858 . 0 0 "[ . 1 . 2]" 1
319 1 19 GLN H 1 125 GLU HA 3.400 . 4.900 3.593 3.242 4.253 . 0 0 "[ . 1 . 2]" 1
320 1 17 THR HA 1 19 GLN H 3.900 . 5.800 4.455 4.205 4.829 . 0 0 "[ . 1 . 2]" 1
321 1 19 GLN H 1 22 TYR QD 3.200 . 6.000 6.054 5.974 6.143 0.143 6 0 "[ . 1 . 2]" 1
322 1 17 THR H 1 20 LEU H 3.100 . 4.300 3.640 3.014 3.879 . 0 0 "[ . 1 . 2]" 1
323 1 17 THR HB 1 20 LEU H 4.600 . 6.000 4.042 3.795 4.270 . 0 0 "[ . 1 . 2]" 1
324 1 20 LEU H 1 20 LEU HA 3.000 . 4.100 2.809 2.787 2.824 . 0 0 "[ . 1 . 2]" 1
325 1 19 GLN HB3 1 20 LEU H 2.800 . 3.800 2.717 2.507 3.047 . 0 0 "[ . 1 . 2]" 1
326 1 20 LEU H 1 20 LEU HB3 2.900 . 4.000 2.448 2.387 2.761 . 0 0 "[ . 1 . 2]" 1
327 1 20 LEU H 1 20 LEU HB2 2.800 . 3.800 2.586 2.252 2.665 . 0 0 "[ . 1 . 2]" 1
328 1 20 LEU H 1 21 GLN QG 3.200 . 6.000 5.058 4.595 5.419 . 0 0 "[ . 1 . 2]" 1
329 1 20 LEU H 1 79 ALA H 4.300 . 6.000 3.386 3.142 3.738 . 0 0 "[ . 1 . 2]" 1
330 1 21 GLN H 1 21 GLN HB2 2.200 . 2.800 2.249 2.135 2.467 . 0 0 "[ . 1 . 2]" 1
331 1 21 GLN H 1 21 GLN HA 2.600 . 3.500 2.835 2.815 2.848 . 0 0 "[ . 1 . 2]" 1
332 1 20 LEU HB3 1 21 GLN H 3.300 . 4.700 2.315 2.197 2.428 . 0 0 "[ . 1 . 2]" 1
333 1 20 LEU QD 1 21 GLN H . . 3.000 2.930 2.769 2.997 . 0 0 "[ . 1 . 2]" 1
334 1 20 LEU HA 1 21 GLN H 2.900 . 4.000 3.560 3.544 3.569 . 0 0 "[ . 1 . 2]" 1
335 1 18 ASN HA 1 21 GLN H 3.300 . 4.600 3.698 3.520 3.903 . 0 0 "[ . 1 . 2]" 1
336 1 17 THR H 1 21 GLN H 3.000 . 4.100 4.022 3.816 4.178 0.078 20 0 "[ . 1 . 2]" 1
337 1 21 GLN H 1 22 TYR H 2.700 . 3.600 2.553 2.503 2.649 . 0 0 "[ . 1 . 2]" 1
338 1 21 GLN H 1 21 GLN QG 2.300 . 3.000 2.756 2.351 3.003 0.003 15 0 "[ . 1 . 2]" 1
339 1 20 LEU HB2 1 21 GLN H 4.000 . 6.000 3.739 3.488 3.824 . 0 0 "[ . 1 . 2]" 1
340 1 21 GLN H 1 79 ALA H 4.000 . 6.000 5.619 5.454 5.919 . 0 0 "[ . 1 . 2]" 1
341 1 21 GLN QB 1 22 TYR H 2.500 . 3.300 2.873 2.756 3.034 . 0 0 "[ . 1 . 2]" 1
342 1 22 TYR H 1 22 TYR HB3 2.700 . 3.600 2.565 2.403 2.693 . 0 0 "[ . 1 . 2]" 1
343 1 22 TYR H 1 128 LEU QD 4.400 . 6.000 4.600 4.082 5.009 . 0 0 "[ . 1 . 2]" 1
344 1 22 TYR H 1 24 GLN H 4.000 . 6.000 4.027 3.950 4.174 . 0 0 "[ . 1 . 2]" 1
345 1 22 TYR H 1 23 MET H 2.700 . 3.600 2.915 2.812 2.983 . 0 0 "[ . 1 . 2]" 1
346 1 22 TYR H 1 22 TYR HA 2.600 . 3.500 2.782 2.749 2.813 . 0 0 "[ . 1 . 2]" 1
347 1 20 LEU HA 1 22 TYR H 3.000 . 6.000 4.288 4.034 4.429 . 0 0 "[ . 1 . 2]" 1
348 1 18 ASN H 1 22 TYR H 6.000 . 6.000 5.850 5.752 5.976 . 0 0 "[ . 1 . 2]" 1
349 1 23 MET H 1 27 VAL H 4.600 . 6.000 4.774 4.721 4.846 . 0 0 "[ . 1 . 2]" 1
350 1 22 TYR QD 1 23 MET H 3.100 . 4.300 2.938 2.590 3.162 . 0 0 "[ . 1 . 2]" 1
351 1 23 MET H 1 28 VAL H 4.800 . 6.000 6.116 6.044 6.155 0.155 14 0 "[ . 1 . 2]" 1
352 1 90 PHE QB 1 91 THR H 2.700 . 3.600 2.604 2.452 2.757 . 0 0 "[ . 1 . 2]" 1
353 1 65 GLY H 1 65 GLY HA3 2.600 . 3.500 2.336 2.315 2.362 . 0 0 "[ . 1 . 2]" 1
354 1 6 GLU HA 1 9 ASN HD21 6.000 . 6.000 5.939 5.674 6.146 0.146 12 0 "[ . 1 . 2]" 1
355 1 9 ASN HD21 1 11 SER HB2 5.200 . 6.000 5.399 3.075 6.554 0.554 9 1 "[ . +1 . 2]" 1
356 1 9 ASN HB3 1 9 ASN HD21 3.700 . 5.400 3.175 2.256 3.434 . 0 0 "[ . 1 . 2]" 1
357 1 9 ASN HD21 1 12 LYS HB3 3.300 . 6.000 4.635 2.992 5.588 . 0 0 "[ . 1 . 2]" 1
358 1 9 ASN HA 1 9 ASN HD21 4.400 . 6.000 3.613 3.042 4.340 . 0 0 "[ . 1 . 2]" 1
359 1 87 ASN QB 1 87 ASN HD22 2.800 . 3.800 3.244 3.202 3.283 . 0 0 "[ . 1 . 2]" 1
360 1 87 ASN HB3 1 87 ASN HD21 2.600 . 3.400 2.178 2.104 2.911 . 0 0 "[ . 1 . 2]" 1
361 1 87 ASN HD22 1 91 THR MG 3.800 . 5.600 3.768 2.933 4.842 . 0 0 "[ . 1 . 2]" 1
362 1 87 ASN HD21 1 91 THR MG 5.000 . 6.000 4.748 3.548 5.983 . 0 0 "[ . 1 . 2]" 1
363 1 87 ASN H 1 87 ASN HD22 3.200 . 6.000 5.597 4.952 5.851 . 0 0 "[ . 1 . 2]" 1
364 1 24 GLN H 1 79 ALA MB 3.100 . 4.300 4.250 4.031 4.373 0.073 20 0 "[ . 1 . 2]" 1
365 1 24 GLN H 1 71 LEU MD2 2.700 . 3.600 3.301 2.959 3.608 0.008 5 0 "[ . 1 . 2]" 1
366 1 24 GLN H 1 24 GLN HA 2.600 . 3.500 2.806 2.779 2.841 . 0 0 "[ . 1 . 2]" 1
367 1 24 GLN H 1 24 GLN QG 3.100 . 6.000 3.512 1.825 3.968 . 0 0 "[ . 1 . 2]" 1
368 1 22 TYR HA 1 24 GLN H 3.100 . 4.300 4.345 4.302 4.435 0.135 17 0 "[ . 1 . 2]" 1
369 1 24 GLN H 1 27 VAL H 3.700 . 5.500 4.450 4.388 4.531 . 0 0 "[ . 1 . 2]" 1
370 1 22 TYR HB3 1 24 GLN H 3.600 . 5.300 4.564 4.480 4.745 . 0 0 "[ . 1 . 2]" 1
371 1 24 GLN HE21 1 72 GLU HA 3.000 . 4.100 3.731 2.996 4.171 0.071 6 0 "[ . 1 . 2]" 1
372 1 24 GLN HE22 1 25 ASN H 5.700 . 6.000 5.951 5.545 6.077 0.077 14 0 "[ . 1 . 2]" 1
373 1 24 GLN HE21 1 25 ASN H 5.500 . 6.000 5.239 4.861 5.515 . 0 0 "[ . 1 . 2]" 1
374 1 24 GLN HE22 1 72 GLU HA 2.700 . 3.600 3.254 2.524 3.655 0.055 10 0 "[ . 1 . 2]" 1
375 1 24 GLN QB 1 24 GLN HE22 2.500 . 3.300 3.321 3.206 3.478 0.178 18 0 "[ . 1 . 2]" 1
376 1 21 GLN HG2 1 24 GLN HE22 3.000 . 4.100 3.902 3.067 4.174 0.074 6 0 "[ . 1 . 2]" 1
377 1 22 TYR HA 1 25 ASN H 2.700 . 6.000 3.914 3.802 4.179 . 0 0 "[ . 1 . 2]" 1
378 1 24 GLN QB 1 25 ASN H 2.300 . 3.000 2.420 2.129 2.975 . 0 0 "[ . 1 . 2]" 1
379 1 25 ASN H 1 29 LYS QG 3.200 . 6.000 5.375 4.688 5.766 . 0 0 "[ . 1 . 2]" 1
380 1 25 ASN H 1 26 VAL HB 2.900 . 6.000 4.553 4.511 4.615 . 0 0 "[ . 1 . 2]" 1
381 1 25 ASN H 1 26 VAL MG2 3.100 . 4.300 3.893 3.707 4.023 . 0 0 "[ . 1 . 2]" 1
382 1 24 GLN HG2 1 25 ASN H 2.800 . 3.800 3.535 2.657 4.725 0.925 3 1 "[ + . 1 . 2]" 1
383 1 25 ASN HA 1 25 ASN HD21 3.700 . 5.400 4.017 3.805 4.328 . 0 0 "[ . 1 . 2]" 1
384 1 25 ASN H 1 25 ASN HD22 4.600 . 6.000 3.855 3.691 4.103 . 0 0 "[ . 1 . 2]" 1
385 1 24 GLN HG2 1 25 ASN HD22 2.900 . 6.000 4.252 3.028 6.681 0.681 3 1 "[ + . 1 . 2]" 1
386 1 21 GLN HB3 1 25 ASN HD22 3.200 . 4.400 3.953 3.379 4.442 0.042 8 0 "[ . 1 . 2]" 1
387 1 21 GLN QG 1 25 ASN HD21 2.900 . 6.000 4.748 4.141 5.285 . 0 0 "[ . 1 . 2]" 1
388 1 25 ASN HD21 1 26 VAL MG2 4.300 . 6.000 4.632 4.436 4.772 . 0 0 "[ . 1 . 2]" 1
389 1 26 VAL H 1 29 LYS H 4.400 . 6.000 4.428 4.353 4.490 . 0 0 "[ . 1 . 2]" 1
390 1 25 ASN H 1 26 VAL H 2.500 . 3.300 2.344 2.313 2.381 . 0 0 "[ . 1 . 2]" 1
391 1 27 VAL H 1 28 VAL H 3.000 . 4.100 2.735 2.519 2.790 . 0 0 "[ . 1 . 2]" 1
392 1 27 VAL H 1 27 VAL HA 2.900 . 4.000 2.878 2.864 2.887 . 0 0 "[ . 1 . 2]" 1
393 1 27 VAL H 1 117 LYS HB2 3.800 . 5.600 5.347 5.031 5.616 0.016 6 0 "[ . 1 . 2]" 1
394 1 27 VAL H 1 28 VAL QG 3.300 . 4.700 3.688 3.509 3.842 . 0 0 "[ . 1 . 2]" 1
395 1 27 VAL H 1 29 LYS H 3.800 . 5.600 3.869 3.769 4.037 . 0 0 "[ . 1 . 2]" 1
396 1 22 TYR QE 1 27 VAL H 3.900 . 5.800 4.852 4.601 4.976 . 0 0 "[ . 1 . 2]" 1
397 1 26 VAL H 1 28 VAL H 3.800 . 5.600 4.461 4.104 4.522 . 0 0 "[ . 1 . 2]" 1
398 1 28 VAL H 1 86 PHE QE 3.700 . 5.400 3.792 3.300 4.415 . 0 0 "[ . 1 . 2]" 1
399 1 28 VAL H 1 29 LYS H 2.700 . 3.600 2.680 2.583 2.791 . 0 0 "[ . 1 . 2]" 1
400 1 23 MET HA 1 28 VAL H 2.900 . 4.000 3.907 3.811 3.964 . 0 0 "[ . 1 . 2]" 1
401 1 28 VAL H 1 28 VAL HA 2.800 . 3.800 2.836 2.797 2.868 . 0 0 "[ . 1 . 2]" 1
402 1 27 VAL HA 1 28 VAL H 3.700 . 5.400 3.594 3.557 3.608 . 0 0 "[ . 1 . 2]" 1
403 1 27 VAL HB 1 28 VAL H 2.600 . 3.500 2.194 2.126 2.378 . 0 0 "[ . 1 . 2]" 1
404 1 28 VAL H 1 28 VAL HB 2.500 . 3.300 3.012 2.740 3.454 0.154 7 0 "[ . 1 . 2]" 1
405 1 28 VAL H 1 28 VAL QG 2.300 . 3.000 1.895 1.671 2.101 . 0 0 "[ . 1 . 2]" 1
406 1 28 VAL H 1 114 PHE QD 3.900 . 5.800 5.695 5.448 5.857 0.057 11 0 "[ . 1 . 2]" 1
407 1 25 ASN HA 1 29 LYS H 2.800 . 3.800 3.886 3.812 3.955 0.155 16 0 "[ . 1 . 2]" 1
408 1 28 VAL HA 1 29 LYS H 4.100 . 6.000 3.534 3.511 3.555 . 0 0 "[ . 1 . 2]" 1
409 1 28 VAL HB 1 29 LYS H 2.700 . 6.000 4.149 2.458 4.331 . 0 0 "[ . 1 . 2]" 1
410 1 29 LYS H 1 29 LYS HB3 2.400 . 3.100 3.211 2.912 3.434 0.334 17 0 "[ . 1 . 2]" 1
411 1 28 VAL QG 1 29 LYS H 2.600 . 3.500 2.243 1.996 3.182 . 0 0 "[ . 1 . 2]" 1
412 1 26 VAL MG2 1 29 LYS H 4.500 . 6.000 5.883 5.761 5.986 . 0 0 "[ . 1 . 2]" 1
413 1 29 LYS H 1 30 THR H 2.700 . 3.600 2.712 2.612 2.792 . 0 0 "[ . 1 . 2]" 1
414 1 42 GLN H 1 42 GLN HA 2.700 . 3.600 2.929 2.890 2.943 . 0 0 "[ . 1 . 2]" 1
415 1 30 THR H 1 30 THR HB 2.600 . 3.400 2.675 2.535 3.556 0.156 20 0 "[ . 1 . 2]" 1
416 1 30 THR H 1 31 LEU H 2.700 . 3.600 2.480 2.345 2.594 . 0 0 "[ . 1 . 2]" 1
417 1 41 TYR HB2 1 42 GLN H 2.700 . 3.600 3.076 2.488 3.473 . 0 0 "[ . 1 . 2]" 1
418 1 42 GLN H 1 42 GLN HG3 2.400 . 3.100 2.355 1.834 3.433 0.333 3 0 "[ . 1 . 2]" 1
419 1 42 GLN H 1 42 GLN HB2 2.600 . 3.400 2.934 2.537 3.306 . 0 0 "[ . 1 . 2]" 1
420 1 29 LYS HB3 1 30 THR H 2.500 . 3.300 3.033 2.719 3.424 0.124 17 0 "[ . 1 . 2]" 1
421 1 30 THR HB 1 31 LEU H 2.800 . 3.800 2.758 2.573 3.568 . 0 0 "[ . 1 . 2]" 1
422 1 31 LEU H 1 31 LEU HB2 3.000 . 4.100 2.107 2.062 2.156 . 0 0 "[ . 1 . 2]" 1
423 1 31 LEU H 1 33 LYS HB2 2.700 . 6.000 5.268 5.119 5.420 . 0 0 "[ . 1 . 2]" 1
424 1 57 ILE HB 1 58 ILE H 2.800 . 3.800 2.559 2.294 2.832 . 0 0 "[ . 1 . 2]" 1
425 1 58 ILE H 1 58 ILE MD 3.000 . 4.100 3.340 3.162 3.578 . 0 0 "[ . 1 . 2]" 1
426 1 55 HIS HA 1 58 ILE H 3.900 . 5.800 3.875 3.409 4.435 . 0 0 "[ . 1 . 2]" 1
427 1 80 SER H 1 81 GLU H 3.000 . 4.100 2.617 2.527 2.694 . 0 0 "[ . 1 . 2]" 1
428 1 79 ALA H 1 80 SER H 3.100 . 4.300 2.528 2.464 2.604 . 0 0 "[ . 1 . 2]" 1
429 1 38 TRP H 1 38 TRP HE1 3.200 . 4.500 4.445 4.241 4.567 0.067 15 0 "[ . 1 . 2]" 1
430 1 20 LEU QD 1 80 SER H 3.600 . 5.200 4.885 4.448 5.126 . 0 0 "[ . 1 . 2]" 1
431 1 79 ALA MB 1 80 SER H 2.800 . 3.800 3.125 2.979 3.255 . 0 0 "[ . 1 . 2]" 1
432 1 80 SER H 1 81 GLU HB2 3.400 . 4.800 4.557 4.273 4.843 0.043 10 0 "[ . 1 . 2]" 1
433 1 78 SER QB 1 80 SER H 3.600 . 5.200 2.857 2.396 3.369 . 0 0 "[ . 1 . 2]" 1
434 1 80 SER H 1 80 SER HA 2.400 . 3.100 2.805 2.782 2.832 . 0 0 "[ . 1 . 2]" 1
435 1 80 SER H 1 80 SER QB 2.600 . 3.400 2.816 2.302 2.898 . 0 0 "[ . 1 . 2]" 1
436 1 80 SER H 1 82 CYS H 4.100 . 6.000 4.026 3.803 4.185 . 0 0 "[ . 1 . 2]" 1
437 1 28 VAL QG 1 32 TRP H 3.100 . 4.300 3.586 3.324 4.026 . 0 0 "[ . 1 . 2]" 1
438 1 29 LYS HB3 1 32 TRP H 2.800 . 6.000 5.388 5.281 5.650 . 0 0 "[ . 1 . 2]" 1
439 1 31 LEU HB2 1 32 TRP H 2.900 . 4.000 3.334 3.147 3.431 . 0 0 "[ . 1 . 2]" 1
440 1 32 TRP H 1 32 TRP HB3 2.400 . 3.100 2.748 2.683 2.820 . 0 0 "[ . 1 . 2]" 1
441 1 32 TRP H 1 32 TRP HB2 2.600 . 3.400 2.268 2.181 2.344 . 0 0 "[ . 1 . 2]" 1
442 1 32 TRP H 1 32 TRP HA 2.500 . 3.300 2.795 2.765 2.816 . 0 0 "[ . 1 . 2]" 1
443 1 32 TRP H 1 33 LYS HA 4.300 . 6.000 5.269 5.216 5.322 . 0 0 "[ . 1 . 2]" 1
444 1 32 TRP H 1 41 TYR QE 3.800 . 5.600 5.247 4.887 5.591 . 0 0 "[ . 1 . 2]" 1
445 1 32 TRP H 1 33 LYS H 2.600 . 3.400 2.691 2.612 2.757 . 0 0 "[ . 1 . 2]" 1
446 1 32 TRP H 1 33 LYS QG 2.900 . 6.000 4.804 4.268 5.330 . 0 0 "[ . 1 . 2]" 1
447 1 32 TRP H 1 34 HIS H 4.600 . 6.000 4.243 4.124 4.512 . 0 0 "[ . 1 . 2]" 1
448 1 32 TRP HE1 1 33 LYS HA 4.600 . 6.000 5.904 5.701 6.040 0.040 17 0 "[ . 1 . 2]" 1
449 1 32 TRP HE1 1 33 LYS QG 4.100 . 6.000 5.723 5.501 5.838 . 0 0 "[ . 1 . 2]" 1
450 1 34 HIS H 1 37 ALA MB 2.600 . 3.400 3.166 2.656 3.420 0.020 10 0 "[ . 1 . 2]" 1
451 1 33 LYS QG 1 34 HIS H 2.900 . 6.000 4.573 4.391 4.718 . 0 0 "[ . 1 . 2]" 1
452 1 31 LEU MD2 1 34 HIS H 3.000 . 4.200 4.005 3.840 4.211 0.011 11 0 "[ . 1 . 2]" 1
453 1 34 HIS HD2 1 35 GLN H 3.700 . 5.400 4.117 3.639 4.503 . 0 0 "[ . 1 . 2]" 1
454 1 34 HIS HA 1 35 GLN H 2.200 . 2.800 2.204 2.153 2.284 . 0 0 "[ . 1 . 2]" 1
455 1 34 HIS QB 1 35 GLN H 2.700 . 3.600 3.582 3.427 3.664 0.064 16 0 "[ . 1 . 2]" 1
456 1 35 GLN H 1 110 LEU MD1 4.000 . 6.000 5.051 4.761 5.253 . 0 0 "[ . 1 . 2]" 1
457 1 34 HIS HA 1 35 GLN HE21 3.700 . 5.400 4.632 3.475 5.426 0.026 19 0 "[ . 1 . 2]" 1
458 1 35 GLN HE21 1 38 TRP HB3 3.300 . 6.000 5.294 3.767 6.040 0.040 1 0 "[ . 1 . 2]" 1
459 1 35 GLN HE22 1 38 TRP HB3 2.200 . 6.000 5.043 3.156 6.001 0.001 2 0 "[ . 1 . 2]" 1
460 1 37 ALA H 1 37 ALA MB 2.200 . 2.800 2.294 2.147 2.371 . 0 0 "[ . 1 . 2]" 1
461 1 37 ALA H 1 106 MET ME 3.700 . 6.000 5.498 4.901 5.673 . 0 0 "[ . 1 . 2]" 1
462 1 36 PHE HB3 1 37 ALA H 3.300 . 4.700 3.950 3.758 4.378 . 0 0 "[ . 1 . 2]" 1
463 1 36 PHE HB2 1 37 ALA H 4.400 . 6.000 3.628 3.472 3.750 . 0 0 "[ . 1 . 2]" 1
464 1 36 PHE HA 1 37 ALA H 3.300 . 4.700 3.282 3.165 3.342 . 0 0 "[ . 1 . 2]" 1
465 1 37 ALA H 1 110 LEU MD1 2.700 . 6.000 3.080 2.777 3.199 . 0 0 "[ . 1 . 2]" 1
466 1 35 GLN H 1 37 ALA H 4.000 . 6.000 4.086 3.961 4.271 . 0 0 "[ . 1 . 2]" 1
467 1 38 TRP H 1 106 MET HB3 2.700 . 6.000 5.432 5.184 6.943 0.943 10 1 "[ . + . 2]" 1
468 1 38 TRP H 1 64 MET ME 4.000 . 6.000 5.376 4.878 5.766 . 0 0 "[ . 1 . 2]" 1
469 1 38 TRP H 1 106 MET ME 3.300 . 4.600 4.572 4.123 4.665 0.065 17 0 "[ . 1 . 2]" 1
470 1 37 ALA MB 1 38 TRP H 2.700 . 3.600 3.458 3.334 3.548 . 0 0 "[ . 1 . 2]" 1
471 1 38 TRP H 1 110 LEU HG 4.200 . 6.000 6.115 6.083 6.169 0.169 13 0 "[ . 1 . 2]" 1
472 1 36 PHE HA 1 38 TRP H 3.900 . 5.800 3.328 3.172 3.467 . 0 0 "[ . 1 . 2]" 1
473 1 38 TRP H 1 41 TYR QE 3.100 . 6.000 4.625 4.403 4.853 . 0 0 "[ . 1 . 2]" 1
474 1 38 TRP H 1 40 PHE HB2 3.000 . 6.000 4.982 4.437 5.398 . 0 0 "[ . 1 . 2]" 1
475 1 40 PHE H 1 40 PHE HB3 3.200 . 4.500 3.458 3.320 3.675 . 0 0 "[ . 1 . 2]" 1
476 1 40 PHE H 1 40 PHE HB2 2.900 . 4.000 2.306 2.184 2.510 . 0 0 "[ . 1 . 2]" 1
477 1 40 PHE H 1 41 TYR HB3 3.800 . 5.600 5.653 5.549 5.937 0.337 12 0 "[ . 1 . 2]" 1
478 1 39 PRO QG 1 40 PHE H 3.500 . 5.100 3.985 3.470 4.172 . 0 0 "[ . 1 . 2]" 1
479 1 41 TYR H 1 42 GLN H 2.700 . 3.600 2.450 1.918 2.679 . 0 0 "[ . 1 . 2]" 1
480 1 41 TYR H 1 42 GLN HE21 3.200 . 4.500 3.924 2.186 4.539 0.039 17 0 "[ . 1 . 2]" 1
481 1 41 TYR H 1 41 TYR QD 2.600 . 3.500 3.115 2.781 3.617 0.117 2 0 "[ . 1 . 2]" 1
482 1 39 PRO HA 1 41 TYR H 4.100 . 6.000 3.663 3.514 4.050 . 0 0 "[ . 1 . 2]" 1
483 1 41 TYR H 1 42 GLN HG3 3.100 . 4.300 3.695 3.195 4.294 . 0 0 "[ . 1 . 2]" 1
484 1 40 PHE H 1 41 TYR H 2.600 . 3.500 2.360 1.993 3.007 . 0 0 "[ . 1 . 2]" 1
485 1 40 PHE H 1 42 GLN H 3.500 . 5.000 4.447 3.778 4.831 . 0 0 "[ . 1 . 2]" 1
486 1 43 PRO HA 1 44 VAL H 2.800 . 3.800 2.200 2.130 2.306 . 0 0 "[ . 1 . 2]" 1
487 1 43 PRO HD2 1 44 VAL H 3.900 . 5.800 5.612 5.375 5.724 . 0 0 "[ . 1 . 2]" 1
488 1 44 VAL H 1 44 VAL HA 3.000 . 4.100 2.862 2.795 2.925 . 0 0 "[ . 1 . 2]" 1
489 1 44 VAL H 1 45 ASP QB 4.600 . 6.000 5.127 4.650 5.421 . 0 0 "[ . 1 . 2]" 1
490 1 43 PRO HB3 1 44 VAL H 3.000 . 4.100 3.645 2.946 3.907 . 0 0 "[ . 1 . 2]" 1
491 1 44 VAL H 1 44 VAL HB 2.700 . 3.600 2.327 2.207 2.439 . 0 0 "[ . 1 . 2]" 1
492 1 44 VAL H 1 44 VAL QG 2.600 . 3.400 2.659 2.461 2.900 . 0 0 "[ . 1 . 2]" 1
493 1 43 PRO HB2 1 44 VAL H 2.600 . 3.500 3.293 2.885 3.571 0.071 16 0 "[ . 1 . 2]" 1
494 1 44 VAL H 1 45 ASP H 3.400 . 4.800 4.184 3.913 4.370 . 0 0 "[ . 1 . 2]" 1
495 1 44 VAL HA 1 45 ASP H 2.300 . 3.000 2.126 2.063 2.214 . 0 0 "[ . 1 . 2]" 1
496 1 45 ASP H 1 45 ASP QB 2.700 . 3.600 2.356 2.155 2.602 . 0 0 "[ . 1 . 2]" 1
497 1 45 ASP H 1 48 LYS QB 3.200 . 6.000 3.674 2.785 5.481 . 0 0 "[ . 1 . 2]" 1
498 1 44 VAL QG 1 45 ASP H 2.500 . 3.300 3.036 2.765 3.233 . 0 0 "[ . 1 . 2]" 1
499 1 44 VAL HB 1 45 ASP H 4.300 . 6.000 4.517 4.438 4.581 . 0 0 "[ . 1 . 2]" 1
500 1 126 VAL HA 1 127 GLU H 1.900 . 2.400 2.192 2.136 2.344 . 0 0 "[ . 1 . 2]" 1
501 1 17 THR HA 1 127 GLU H 3.400 . 4.900 4.740 4.532 4.921 0.021 8 0 "[ . 1 . 2]" 1
502 1 127 GLU H 1 127 GLU HB2 2.300 . 3.000 2.309 2.106 2.749 . 0 0 "[ . 1 . 2]" 1
503 1 46 ALA H 1 47 ILE H 2.800 . 6.000 3.263 2.618 4.089 . 0 0 "[ . 1 . 2]" 1
504 1 45 ASP HA 1 47 ILE H 3.400 . 4.800 4.324 3.798 4.902 0.102 2 0 "[ . 1 . 2]" 1
505 1 47 ILE H 1 47 ILE HA 2.300 . 3.000 2.900 2.822 2.953 . 0 0 "[ . 1 . 2]" 1
506 1 46 ALA HA 1 47 ILE H 2.700 . 3.600 3.489 3.301 3.585 . 0 0 "[ . 1 . 2]" 1
507 1 47 ILE H 1 47 ILE HB 2.200 . 2.800 2.593 2.340 2.808 0.008 11 0 "[ . 1 . 2]" 1
508 1 45 ASP QB 1 47 ILE H 5.100 . 6.000 3.796 3.220 4.383 . 0 0 "[ . 1 . 2]" 1
509 1 47 ILE H 1 47 ILE HG12 2.300 . 6.000 3.497 2.084 4.472 . 0 0 "[ . 1 . 2]" 1
510 1 47 ILE H 1 47 ILE HG13 2.500 . 3.300 2.851 2.023 3.986 0.686 5 2 "[ + 1 - . 2]" 1
511 1 47 ILE H 1 51 LEU QD 4.400 . 6.000 5.731 5.494 5.861 . 0 0 "[ . 1 . 2]" 1
512 1 44 VAL QG 1 47 ILE H 4.300 . 6.000 5.033 4.664 5.303 . 0 0 "[ . 1 . 2]" 1
513 1 47 ILE H 1 48 LYS QB 2.900 . 6.000 4.168 3.745 4.871 . 0 0 "[ . 1 . 2]" 1
514 1 48 LYS H 1 48 LYS QB 2.100 . 2.600 2.212 2.021 2.511 . 0 0 "[ . 1 . 2]" 1
515 1 48 LYS H 1 48 LYS QD 3.300 . 4.700 4.166 3.195 4.733 0.033 9 0 "[ . 1 . 2]" 1
516 1 48 LYS H 1 49 LEU QB 2.400 . 6.000 4.569 4.323 4.856 . 0 0 "[ . 1 . 2]" 1
517 1 47 ILE HB 1 48 LYS H 2.300 . 2.900 2.500 2.197 2.792 . 0 0 "[ . 1 . 2]" 1
518 1 45 ASP QB 1 48 LYS H 3.500 . 5.100 3.217 2.203 3.982 . 0 0 "[ . 1 . 2]" 1
519 1 47 ILE HB 1 49 LEU H 4.200 . 6.000 4.966 4.511 5.436 . 0 0 "[ . 1 . 2]" 1
520 1 49 LEU H 1 51 LEU QD 3.200 . 6.000 4.112 3.605 4.556 . 0 0 "[ . 1 . 2]" 1
521 1 44 VAL QG 1 49 LEU H 3.700 . 5.400 4.705 4.019 5.119 . 0 0 "[ . 1 . 2]" 1
522 1 49 LEU H 1 50 ASN HB2 3.900 . 5.800 5.068 4.843 5.309 . 0 0 "[ . 1 . 2]" 1
523 1 46 ALA HA 1 49 LEU H 3.600 . 5.200 4.386 3.996 4.781 . 0 0 "[ . 1 . 2]" 1
524 1 49 LEU H 1 49 LEU HA 2.400 . 3.100 2.935 2.908 2.949 . 0 0 "[ . 1 . 2]" 1
525 1 49 LEU H 1 51 LEU H 4.300 . 6.000 3.852 3.291 4.333 . 0 0 "[ . 1 . 2]" 1
526 1 45 ASP QB 1 49 LEU H 3.700 . 5.400 4.189 3.121 5.178 . 0 0 "[ . 1 . 2]" 1
527 1 45 ASP HA 1 49 LEU H 3.100 . 6.000 5.851 4.869 6.119 0.119 3 0 "[ . 1 . 2]" 1
528 1 46 ALA HA 1 50 ASN H 3.700 . 5.400 4.584 4.018 5.140 . 0 0 "[ . 1 . 2]" 1
529 1 50 ASN H 1 50 ASN HB2 2.600 . 3.500 3.028 2.952 3.127 . 0 0 "[ . 1 . 2]" 1
530 1 50 ASN H 1 50 ASN HB3 2.600 . 6.000 3.756 3.617 3.918 . 0 0 "[ . 1 . 2]" 1
531 1 49 LEU QB 1 50 ASN H 2.600 . 3.400 3.416 3.275 3.555 0.155 2 0 "[ . 1 . 2]" 1
532 1 50 ASN H 1 51 LEU HA 5.300 . 6.000 5.359 5.255 5.457 . 0 0 "[ . 1 . 2]" 1
533 1 52 PRO HA 1 53 ASP H 3.500 . 5.000 3.518 3.430 3.581 . 0 0 "[ . 1 . 2]" 1
534 1 52 PRO HD3 1 53 ASP H 3.500 . 5.000 3.756 3.519 3.902 . 0 0 "[ . 1 . 2]" 1
535 1 53 ASP H 1 54 TYR HA 3.200 . 6.000 4.819 4.585 5.072 . 0 0 "[ . 1 . 2]" 1
536 1 53 ASP H 1 53 ASP HB3 3.700 . 5.400 3.090 2.433 3.634 . 0 0 "[ . 1 . 2]" 1
537 1 53 ASP H 1 53 ASP HB2 4.000 . 6.000 2.491 2.089 3.684 . 0 0 "[ . 1 . 2]" 1
538 1 51 LEU HA 1 53 ASP H 4.200 . 6.000 3.585 3.091 4.284 . 0 0 "[ . 1 . 2]" 1
539 1 46 ALA MB 1 53 ASP H 3.000 . 6.000 5.197 4.632 5.842 . 0 0 "[ . 1 . 2]" 1
540 1 53 ASP H 1 53 ASP HA 2.900 . 3.900 2.893 2.853 2.928 . 0 0 "[ . 1 . 2]" 1
541 1 51 LEU HA 1 54 TYR H 3.200 . 4.500 3.888 3.475 4.553 0.053 17 0 "[ . 1 . 2]" 1
542 1 54 TYR H 1 55 HIS HA 3.200 . 6.000 5.271 5.135 5.355 . 0 0 "[ . 1 . 2]" 1
543 1 53 ASP HA 1 54 TYR H 3.200 . 4.500 3.268 2.940 3.468 . 0 0 "[ . 1 . 2]" 1
544 1 33 LYS HA 1 34 HIS H 3.200 . 4.400 3.191 2.950 3.365 . 0 0 "[ . 1 . 2]" 1
545 1 47 ILE HB 1 50 ASN H 3.700 . 5.400 5.206 4.998 5.430 0.030 16 0 "[ . 1 . 2]" 1
546 1 55 HIS H 1 56 LYS QE 2.800 . 6.000 5.651 4.791 6.114 0.114 15 0 "[ . 1 . 2]" 1
547 1 46 ALA MB 1 55 HIS H 3.400 . 6.000 4.265 3.678 4.667 . 0 0 "[ . 1 . 2]" 1
548 1 54 TYR HB2 1 55 HIS H 3.700 . 6.000 3.530 3.246 3.848 . 0 0 "[ . 1 . 2]" 1
549 1 54 TYR H 1 55 HIS H 3.600 . 6.000 2.659 2.541 2.766 . 0 0 "[ . 1 . 2]" 1
550 1 55 HIS HA 1 56 LYS H 3.100 . 4.300 3.242 3.168 3.329 . 0 0 "[ . 1 . 2]" 1
551 1 56 LYS H 1 57 ILE HA 3.400 . 4.800 4.866 4.795 4.912 0.112 2 0 "[ . 1 . 2]" 1
552 1 55 HIS HB2 1 56 LYS H 3.400 . 4.800 3.628 3.455 3.773 . 0 0 "[ . 1 . 2]" 1
553 1 56 LYS H 1 56 LYS HB2 2.100 . 2.700 2.523 2.289 2.731 0.031 4 0 "[ . 1 . 2]" 1
554 1 56 LYS H 1 56 LYS HG2 2.300 . 3.000 3.024 2.129 3.966 0.966 2 6 "[*+ .- 1* * *]" 1
555 1 56 LYS H 1 56 LYS HG3 3.200 . 4.500 3.210 2.185 4.074 . 0 0 "[ . 1 . 2]" 1
556 1 56 LYS H 1 57 ILE MD 3.300 . 4.700 4.043 3.455 4.751 0.051 9 0 "[ . 1 . 2]" 1
557 1 55 HIS H 1 56 LYS H 2.400 . 3.100 2.639 2.475 2.752 . 0 0 "[ . 1 . 2]" 1
558 1 113 ILE H 1 113 ILE HA 2.300 . 3.000 2.854 2.831 2.878 . 0 0 "[ . 1 . 2]" 1
559 1 113 ILE H 1 113 ILE HG12 2.300 . 3.000 2.668 2.056 3.313 0.313 13 0 "[ . 1 . 2]" 1
560 1 113 ILE H 1 113 ILE HG13 2.500 . 3.300 1.941 1.672 2.698 0.028 11 0 "[ . 1 . 2]" 1
561 1 57 ILE H 1 58 ILE HG12 3.400 . 4.900 4.263 3.900 4.578 . 0 0 "[ . 1 . 2]" 1
562 1 57 ILE H 1 57 ILE HB 2.300 . 3.000 2.499 2.310 2.633 . 0 0 "[ . 1 . 2]" 1
563 1 56 LYS HB2 1 57 ILE H 2.600 . 3.400 2.690 2.203 3.137 . 0 0 "[ . 1 . 2]" 1
564 1 57 ILE H 1 57 ILE HA 2.900 . 4.000 2.908 2.851 2.946 . 0 0 "[ . 1 . 2]" 1
565 1 54 TYR HA 1 57 ILE H 3.700 . 5.400 3.860 3.612 4.143 . 0 0 "[ . 1 . 2]" 1
566 1 56 LYS HA 1 57 ILE H 3.000 . 4.100 3.488 3.392 3.559 . 0 0 "[ . 1 . 2]" 1
567 1 53 ASP HA 1 57 ILE H 4.700 . 6.000 4.985 4.037 5.734 . 0 0 "[ . 1 . 2]" 1
568 1 57 ILE H 1 96 TYR QD 4.100 . 6.000 4.381 3.896 5.515 . 0 0 "[ . 1 . 2]" 1
569 1 59 LYS H 1 60 ASN HA 5.100 . 6.000 5.074 4.958 5.246 . 0 0 "[ . 1 . 2]" 1
570 1 58 ILE HA 1 59 LYS H 2.500 . 3.300 2.150 2.116 2.215 . 0 0 "[ . 1 . 2]" 1
571 1 59 LYS H 1 59 LYS HB2 2.800 . 3.800 2.287 2.136 2.469 . 0 0 "[ . 1 . 2]" 1
572 1 58 ILE MD 1 59 LYS H 3.400 . 4.900 3.638 3.271 3.976 . 0 0 "[ . 1 . 2]" 1
573 1 60 ASN H 1 60 ASN HA 2.700 . 3.600 2.943 2.931 2.948 . 0 0 "[ . 1 . 2]" 1
574 1 59 LYS HB2 1 60 ASN H 2.600 . 3.400 2.995 2.390 3.420 0.020 3 0 "[ . 1 . 2]" 1
575 1 59 LYS HB3 1 60 ASN H 2.500 . 6.000 3.636 2.930 4.168 . 0 0 "[ . 1 . 2]" 1
576 1 15 ARG H 1 17 THR MG 4.900 . 6.000 4.552 3.897 5.568 . 0 0 "[ . 1 . 2]" 1
577 1 58 ILE MG 1 60 ASN H 2.600 . 3.400 2.208 1.847 2.619 . 0 0 "[ . 1 . 2]" 1
578 1 60 ASN H 1 61 PRO QD 3.500 . 5.000 3.463 3.149 3.784 . 0 0 "[ . 1 . 2]" 1
579 1 60 ASN H 1 60 ASN HD21 3.500 . 5.000 3.837 2.483 4.336 . 0 0 "[ . 1 . 2]" 1
580 1 62 MET H 1 92 ASN HD21 3.300 . 4.700 3.146 2.035 4.345 . 0 0 "[ . 1 . 2]" 1
581 1 60 ASN H 1 62 MET H 3.900 . 5.800 5.457 5.230 5.775 . 0 0 "[ . 1 . 2]" 1
582 1 59 LYS HB3 1 60 ASN HD21 3.500 . 5.000 4.477 3.216 5.659 0.659 10 1 "[ . + . 2]" 1
583 1 60 ASN HD21 1 88 THR MG 3.300 . 4.700 3.418 1.890 4.407 0.010 9 0 "[ . 1 . 2]" 1
584 1 59 LYS HB2 1 60 ASN HD21 3.700 . 5.400 4.328 3.237 5.114 . 0 0 "[ . 1 . 2]" 1
585 1 60 ASN HD22 1 88 THR MG 3.100 . 4.300 4.025 2.705 4.730 0.430 18 0 "[ . 1 . 2]" 1
586 1 59 LYS HB3 1 60 ASN HD22 3.500 . 5.000 4.596 2.894 5.416 0.416 10 0 "[ . 1 . 2]" 1
587 1 62 MET HA 1 63 ASP H 2.400 . 3.100 2.331 2.189 2.524 . 0 0 "[ . 1 . 2]" 1
588 1 63 ASP H 1 63 ASP HA 2.300 . 3.000 2.911 2.876 2.942 . 0 0 "[ . 1 . 2]" 1
589 1 63 ASP H 1 66 THR HB 2.800 . 6.000 3.292 2.296 4.002 . 0 0 "[ . 1 . 2]" 1
590 1 63 ASP H 1 64 MET QG 4.000 . 6.000 5.980 5.823 6.059 0.059 16 0 "[ . 1 . 2]" 1
591 1 62 MET HG3 1 63 ASP H 2.600 . 6.000 4.573 2.876 5.251 . 0 0 "[ . 1 . 2]" 1
592 1 62 MET HB3 1 63 ASP H 2.700 . 3.600 2.473 2.159 2.923 . 0 0 "[ . 1 . 2]" 1
593 1 62 MET H 1 63 ASP H 3.700 . 5.400 4.406 4.362 4.471 . 0 0 "[ . 1 . 2]" 1
594 1 63 ASP H 1 66 THR H 3.100 . 4.300 3.481 3.078 3.772 . 0 0 "[ . 1 . 2]" 1
595 1 63 ASP H 1 88 THR MG 3.400 . 6.000 5.988 5.749 6.056 0.056 18 0 "[ . 1 . 2]" 1
596 1 63 ASP H 1 66 THR MG 2.800 . 3.800 3.774 3.458 3.897 0.097 14 0 "[ . 1 . 2]" 1
597 1 63 ASP H 1 67 ILE MD 3.800 . 5.600 3.623 2.766 4.285 . 0 0 "[ . 1 . 2]" 1
598 1 63 ASP H 1 67 ILE H 3.300 . 4.700 3.721 3.399 3.965 . 0 0 "[ . 1 . 2]" 1
599 1 63 ASP HB2 1 65 GLY H 4.400 . 6.000 3.234 2.621 4.026 . 0 0 "[ . 1 . 2]" 1
600 1 43 PRO HB3 1 65 GLY H 3.700 . 5.500 4.363 3.499 5.012 . 0 0 "[ . 1 . 2]" 1
601 1 65 GLY H 1 65 GLY HA2 2.500 . 3.300 2.912 2.881 2.933 . 0 0 "[ . 1 . 2]" 1
602 1 63 ASP HA 1 65 GLY H 1.400 . 6.000 4.755 4.442 4.946 . 0 0 "[ . 1 . 2]" 1
603 1 63 ASP HA 1 66 THR H 2.500 . 6.000 5.272 4.704 5.463 . 0 0 "[ . 1 . 2]" 1
604 1 66 THR H 1 69 LYS H 6.000 . 6.000 4.533 4.471 4.638 . 0 0 "[ . 1 . 2]" 1
605 1 64 MET HB2 1 66 THR H 4.700 . 6.000 5.535 5.170 5.709 . 0 0 "[ . 1 . 2]" 1
606 1 66 THR H 1 67 ILE MD 3.600 . 5.200 4.664 3.761 5.181 . 0 0 "[ . 1 . 2]" 1
607 1 64 MET H 1 66 THR H 4.800 . 6.000 3.323 3.209 3.502 . 0 0 "[ . 1 . 2]" 1
608 1 66 THR MG 1 67 ILE H 3.000 . 4.100 3.990 3.419 4.188 0.088 2 0 "[ . 1 . 2]" 1
609 1 64 MET HA 1 67 ILE H 2.900 . 3.900 3.294 2.884 3.610 . 0 0 "[ . 1 . 2]" 1
610 1 67 ILE H 1 69 LYS H 3.600 . 5.200 3.875 3.663 4.066 . 0 0 "[ . 1 . 2]" 1
611 1 68 LYS H 1 69 LYS H 2.900 . 3.900 2.657 2.591 2.761 . 0 0 "[ . 1 . 2]" 1
612 1 67 ILE H 1 68 LYS H 2.900 . 4.000 2.756 2.659 2.921 . 0 0 "[ . 1 . 2]" 1
613 1 32 TRP HZ3 1 68 LYS H 4.400 . 6.000 4.127 3.894 4.352 . 0 0 "[ . 1 . 2]" 1
614 1 65 GLY HA2 1 68 LYS H 3.500 . 5.000 3.464 3.234 3.845 . 0 0 "[ . 1 . 2]" 1
615 1 28 VAL HB 1 68 LYS H 3.600 . 6.000 5.655 5.196 6.049 0.049 5 0 "[ . 1 . 2]" 1
616 1 68 LYS H 1 68 LYS HB2 2.600 . 6.000 3.482 3.257 3.621 . 0 0 "[ . 1 . 2]" 1
617 1 68 LYS H 1 68 LYS HB3 2.500 . 3.300 2.249 2.049 2.734 . 0 0 "[ . 1 . 2]" 1
618 1 67 ILE HB 1 68 LYS H 2.600 . 3.500 2.448 2.052 2.683 . 0 0 "[ . 1 . 2]" 1
619 1 68 LYS H 1 68 LYS QG 2.500 . 3.300 2.871 1.981 3.392 0.092 20 0 "[ . 1 . 2]" 1
620 1 67 ILE MG 1 68 LYS H 2.400 . 3.100 3.046 2.860 3.165 0.065 2 0 "[ . 1 . 2]" 1
621 1 67 ILE MD 1 68 LYS H 3.400 . 4.800 4.396 4.177 4.588 . 0 0 "[ . 1 . 2]" 1
622 1 68 LYS HG2 1 69 LYS H 2.700 . 3.600 3.386 2.636 4.273 0.673 9 1 "[ . +1 . 2]" 1
623 1 69 LYS H 1 69 LYS HG3 2.300 . 6.000 4.114 2.449 4.562 . 0 0 "[ . 1 . 2]" 1
624 1 68 LYS HB2 1 69 LYS H 2.200 . 6.000 4.225 4.042 4.300 . 0 0 "[ . 1 . 2]" 1
625 1 66 THR HA 1 69 LYS H 2.400 . 3.100 3.256 3.139 3.321 0.221 16 0 "[ . 1 . 2]" 1
626 1 69 LYS H 1 69 LYS HA 2.300 . 3.000 2.824 2.805 2.842 . 0 0 "[ . 1 . 2]" 1
627 1 65 GLY HA2 1 69 LYS H 4.800 . 6.000 4.152 3.949 4.594 . 0 0 "[ . 1 . 2]" 1
628 1 69 LYS H 1 70 ARG H 2.400 . 3.100 2.692 2.584 2.780 . 0 0 "[ . 1 . 2]" 1
629 1 70 ARG H 1 70 ARG HA 2.600 . 3.400 2.841 2.817 2.866 . 0 0 "[ . 1 . 2]" 1
630 1 70 ARG H 1 75 TYR QB 3.900 . 5.800 4.872 4.731 5.002 . 0 0 "[ . 1 . 2]" 1
631 1 70 ARG H 1 72 GLU QG 3.600 . 5.200 4.635 4.254 5.282 0.082 17 0 "[ . 1 . 2]" 1
632 1 70 ARG H 1 70 ARG HB2 2.500 . 3.300 2.253 2.104 2.639 . 0 0 "[ . 1 . 2]" 1
633 1 69 LYS HG3 1 70 ARG H 3.100 . 4.300 4.434 3.314 5.068 0.768 10 6 "[ -. * + ** . *2]" 1
634 1 70 ARG H 1 70 ARG HE 4.800 . 6.000 5.310 4.773 5.891 . 0 0 "[ . 1 . 2]" 1
635 1 71 LEU H 1 71 LEU HA 2.800 . 3.700 2.833 2.812 2.860 . 0 0 "[ . 1 . 2]" 1
636 1 69 LYS HA 1 71 LEU H 3.000 . 6.000 4.267 4.115 4.427 . 0 0 "[ . 1 . 2]" 1
637 1 123 GLN H 1 123 GLN HA 2.300 . 3.000 2.861 2.821 2.893 . 0 0 "[ . 1 . 2]" 1
638 1 71 LEU H 1 72 GLU QG 3.100 . 4.300 4.082 3.816 4.315 0.015 3 0 "[ . 1 . 2]" 1
639 1 71 LEU H 1 71 LEU HB2 2.700 . 3.600 2.139 2.069 2.209 . 0 0 "[ . 1 . 2]" 1
640 1 71 LEU H 1 71 LEU HB3 3.000 . 4.100 3.447 3.367 3.505 . 0 0 "[ . 1 . 2]" 1
641 1 71 LEU H 1 71 LEU HG 2.500 . 3.300 3.100 2.926 3.330 0.030 6 0 "[ . 1 . 2]" 1
642 1 70 ARG HA 1 71 LEU H 2.800 . 3.800 3.484 3.448 3.502 . 0 0 "[ . 1 . 2]" 1
643 1 71 LEU H 1 72 GLU H 2.600 . 3.500 2.723 2.596 2.806 . 0 0 "[ . 1 . 2]" 1
644 1 71 LEU HA 1 72 GLU H 3.400 . 4.800 3.564 3.550 3.578 . 0 0 "[ . 1 . 2]" 1
645 1 72 GLU H 1 72 GLU HA 2.400 . 3.100 2.845 2.826 2.876 . 0 0 "[ . 1 . 2]" 1
646 1 72 GLU H 1 73 ASN HB3 4.200 . 6.000 5.595 5.157 6.008 0.008 1 0 "[ . 1 . 2]" 1
647 1 72 GLU H 1 72 GLU HG2 2.800 . 3.700 2.280 2.087 2.864 . 0 0 "[ . 1 . 2]" 1
648 1 72 GLU H 1 73 ASN HB2 4.500 . 6.000 4.521 4.379 4.674 . 0 0 "[ . 1 . 2]" 1
649 1 24 GLN HE22 1 72 GLU H 4.300 . 6.000 5.246 4.372 5.841 . 0 0 "[ . 1 . 2]" 1
650 1 24 GLN HE21 1 72 GLU H 3.700 . 6.000 4.777 3.713 5.377 . 0 0 "[ . 1 . 2]" 1
651 1 72 GLU H 1 72 GLU HB2 2.700 . 3.600 3.560 2.618 3.636 0.036 4 0 "[ . 1 . 2]" 1
652 1 70 ARG QB 1 72 GLU H 2.000 . 6.000 5.044 4.958 5.208 . 0 0 "[ . 1 . 2]" 1
653 1 71 LEU HB3 1 72 GLU H 4.300 . 6.000 2.916 2.650 3.160 . 0 0 "[ . 1 . 2]" 1
654 1 71 LEU HG 1 72 GLU H 3.300 . 4.700 4.741 4.683 4.782 0.082 19 0 "[ . 1 . 2]" 1
655 1 76 TYR H 1 77 TRP H 4.900 . 6.000 4.338 3.008 4.543 . 0 0 "[ . 1 . 2]" 1
656 1 76 TYR H 1 76 TYR QE 3.200 . 4.500 3.938 3.558 4.496 . 0 0 "[ . 1 . 2]" 1
657 1 73 ASN H 1 73 ASN HD22 3.300 . 6.000 5.489 4.456 6.003 0.003 10 0 "[ . 1 . 2]" 1
658 1 72 GLU HA 1 73 ASN H 2.700 . 6.000 3.454 3.342 3.523 . 0 0 "[ . 1 . 2]" 1
659 1 76 TYR H 1 76 TYR QB 2.600 . 3.500 2.949 2.549 3.220 . 0 0 "[ . 1 . 2]" 1
660 1 73 ASN H 1 73 ASN HB2 2.500 . 3.300 2.290 2.137 2.635 . 0 0 "[ . 1 . 2]" 1
661 1 75 TYR QB 1 76 TYR H 2.500 . 3.300 2.696 1.891 3.176 . 0 0 "[ . 1 . 2]" 1
662 1 72 GLU QB 1 73 ASN H 3.100 . 4.300 3.585 2.654 3.831 . 0 0 "[ . 1 . 2]" 1
663 1 71 LEU HB3 1 73 ASN H 3.600 . 5.200 4.965 4.717 5.237 0.037 17 0 "[ . 1 . 2]" 1
664 1 70 ARG HA 1 73 ASN H 2.900 . 3.900 3.647 3.447 3.905 0.005 9 0 "[ . 1 . 2]" 1
665 1 20 LEU QD 1 76 TYR H 2.600 . 6.000 3.626 3.028 4.153 . 0 0 "[ . 1 . 2]" 1
666 1 75 TYR QD 1 76 TYR H 3.200 . 4.500 3.831 3.093 4.214 . 0 0 "[ . 1 . 2]" 1
667 1 75 TYR QE 1 76 TYR H 4.500 . 6.000 5.651 5.023 6.089 0.089 1 0 "[ . 1 . 2]" 1
668 1 73 ASN HA 1 73 ASN HD21 3.100 . 4.300 4.020 3.765 4.343 0.043 11 0 "[ . 1 . 2]" 1
669 1 73 ASN HA 1 73 ASN HD22 4.900 . 6.000 4.265 4.074 4.505 . 0 0 "[ . 1 . 2]" 1
670 1 7 VAL HB 1 73 ASN HD21 3.400 . 4.800 4.711 4.379 4.863 0.063 13 0 "[ . 1 . 2]" 1
671 1 7 VAL MG2 1 73 ASN HD21 3.300 . 4.600 2.333 1.998 2.823 0.002 19 0 "[ . 1 . 2]" 1
672 1 74 ASN H 1 74 ASN QD 3.200 . 6.000 4.254 3.244 5.093 . 0 0 "[ . 1 . 2]" 1
673 1 72 GLU HA 1 74 ASN H 3.100 . 4.300 3.652 3.473 3.810 . 0 0 "[ . 1 . 2]" 1
674 1 74 ASN H 1 74 ASN HB2 2.600 . 3.400 3.109 2.864 3.994 0.594 12 1 "[ . 1 + . 2]" 1
675 1 74 ASN H 1 74 ASN HB3 2.400 . 6.000 3.737 3.061 4.064 . 0 0 "[ . 1 . 2]" 1
676 1 74 ASN H 1 75 TYR QB 2.800 . 6.000 4.529 4.337 4.673 . 0 0 "[ . 1 . 2]" 1
677 1 20 LEU QD 1 74 ASN H 3.900 . 5.800 4.231 3.563 4.670 . 0 0 "[ . 1 . 2]" 1
678 1 74 ASN H 1 75 TYR H 2.700 . 3.600 2.943 2.786 3.115 . 0 0 "[ . 1 . 2]" 1
679 1 16 LYS QG 1 74 ASN QD 3.400 . 6.000 3.440 1.826 4.938 . 0 0 "[ . 1 . 2]" 1
680 1 16 LYS QB 1 74 ASN QD 3.300 . 4.700 3.671 2.388 4.278 . 0 0 "[ . 1 . 2]" 1
681 1 74 ASN HB3 1 75 TYR H 3.200 . 4.500 4.378 4.266 4.606 0.106 12 0 "[ . 1 . 2]" 1
682 1 70 ARG HA 1 75 TYR H 3.500 . 5.000 3.655 3.449 3.896 . 0 0 "[ . 1 . 2]" 1
683 1 70 ARG QG 1 75 TYR H 5.200 . 6.000 4.597 4.046 5.593 . 0 0 "[ . 1 . 2]" 1
684 1 20 LEU QD 1 75 TYR H 3.400 . 4.900 4.256 3.823 4.536 . 0 0 "[ . 1 . 2]" 1
685 1 75 TYR H 1 76 TYR QB 3.800 . 5.600 5.070 4.492 5.608 0.008 12 0 "[ . 1 . 2]" 1
686 1 71 LEU HA 1 75 TYR H 5.100 . 6.000 3.886 3.570 4.254 . 0 0 "[ . 1 . 2]" 1
687 1 75 TYR H 1 75 TYR QD 3.000 . 4.100 4.158 4.058 4.201 0.101 7 0 "[ . 1 . 2]" 1
688 1 76 TYR QE 1 77 TRP H 3.800 . 6.000 5.986 5.493 6.151 0.151 1 0 "[ . 1 . 2]" 1
689 1 76 TYR HB2 1 77 TRP H 3.700 . 5.400 2.465 1.709 4.333 0.291 7 0 "[ . 1 . 2]" 1
690 1 77 TRP H 1 81 GLU HB2 4.300 . 6.000 3.962 3.278 5.609 . 0 0 "[ . 1 . 2]" 1
691 1 20 LEU QD 1 77 TRP H 3.900 . 5.800 4.338 3.739 4.935 . 0 0 "[ . 1 . 2]" 1
692 1 77 TRP H 1 77 TRP HB2 3.500 . 5.000 2.493 2.260 3.128 . 0 0 "[ . 1 . 2]" 1
693 1 15 ARG H 1 77 TRP H 3.500 . 6.000 4.881 4.409 6.040 0.040 7 0 "[ . 1 . 2]" 1
694 1 17 THR HA 1 77 TRP HE1 4.100 . 6.000 6.009 5.644 6.098 0.098 13 0 "[ . 1 . 2]" 1
695 1 15 ARG H 1 77 TRP HE1 3.700 . 5.400 4.929 3.919 5.430 0.030 8 0 "[ . 1 . 2]" 1
696 1 15 ARG HG3 1 77 TRP HE1 3.700 . 5.400 3.550 2.810 5.296 . 0 0 "[ . 1 . 2]" 1
697 1 15 ARG HB3 1 77 TRP HE1 6.000 . 6.000 3.887 2.879 4.717 . 0 0 "[ . 1 . 2]" 1
698 1 77 TRP HE1 1 78 SER QB 5.500 . 6.000 4.805 4.367 5.545 . 0 0 "[ . 1 . 2]" 1
699 1 77 TRP H 1 78 SER H 3.000 . 4.100 2.468 1.997 3.726 . 0 0 "[ . 1 . 2]" 1
700 1 78 SER H 1 78 SER QB 3.000 . 4.100 2.643 2.405 2.749 . 0 0 "[ . 1 . 2]" 1
701 1 76 TYR HB2 1 78 SER H 3.000 . 4.100 2.907 2.412 3.778 . 0 0 "[ . 1 . 2]" 1
702 1 78 SER H 1 81 GLU HB2 3.200 . 4.500 3.340 2.765 4.297 . 0 0 "[ . 1 . 2]" 1
703 1 20 LEU QD 1 78 SER H 3.100 . 4.300 3.536 3.175 3.962 . 0 0 "[ . 1 . 2]" 1
704 1 17 THR H 1 79 ALA H 4.400 . 6.000 5.613 4.957 6.012 0.012 18 0 "[ . 1 . 2]" 1
705 1 78 SER HA 1 79 ALA H 2.800 . 3.800 2.526 2.376 2.709 . 0 0 "[ . 1 . 2]" 1
706 1 78 SER QB 1 79 ALA H 4.400 . 6.000 2.989 2.303 3.234 . 0 0 "[ . 1 . 2]" 1
707 1 79 ALA H 1 82 CYS HB2 3.900 . 5.800 5.429 4.952 5.686 . 0 0 "[ . 1 . 2]" 1
708 1 81 GLU H 1 83 MET H 4.400 . 6.000 3.851 3.663 4.024 . 0 0 "[ . 1 . 2]" 1
709 1 76 TYR QE 1 81 GLU H 3.800 . 5.600 5.610 5.044 5.897 0.297 8 0 "[ . 1 . 2]" 1
710 1 81 GLU H 1 82 CYS H 2.600 . 3.500 2.385 2.253 2.598 . 0 0 "[ . 1 . 2]" 1
711 1 78 SER HA 1 81 GLU H 5.800 . 6.000 5.058 4.820 5.401 . 0 0 "[ . 1 . 2]" 1
712 1 80 SER HA 1 81 GLU H 2.700 . 3.600 3.475 3.425 3.545 . 0 0 "[ . 1 . 2]" 1
713 1 81 GLU H 1 81 GLU HA 2.500 . 3.300 2.870 2.826 2.896 . 0 0 "[ . 1 . 2]" 1
714 1 76 TYR HB2 1 81 GLU H 4.700 . 6.000 4.618 4.121 5.417 . 0 0 "[ . 1 . 2]" 1
715 1 81 GLU H 1 82 CYS HB2 4.100 . 6.000 4.401 4.086 4.820 . 0 0 "[ . 1 . 2]" 1
716 1 20 LEU QD 1 81 GLU H 3.700 . 5.400 4.991 4.472 5.294 . 0 0 "[ . 1 . 2]" 1
717 1 82 CYS H 1 83 MET H 2.500 . 3.300 2.486 2.303 2.609 . 0 0 "[ . 1 . 2]" 1
718 1 82 CYS H 1 84 GLN H 3.000 . 4.100 4.132 4.026 4.188 0.088 17 0 "[ . 1 . 2]" 1
719 1 76 TYR QE 1 82 CYS H 3.300 . 4.600 4.280 3.511 4.639 0.039 8 0 "[ . 1 . 2]" 1
720 1 81 GLU HA 1 82 CYS H 3.000 . 4.100 3.487 3.430 3.544 . 0 0 "[ . 1 . 2]" 1
721 1 82 CYS H 1 82 CYS HA 2.800 . 3.800 2.847 2.802 2.892 . 0 0 "[ . 1 . 2]" 1
722 1 76 TYR QB 1 82 CYS H 3.800 . 5.600 4.522 3.860 5.277 . 0 0 "[ . 1 . 2]" 1
723 1 82 CYS H 1 82 CYS HB2 2.600 . 3.400 2.300 2.091 2.637 . 0 0 "[ . 1 . 2]" 1
724 1 79 ALA MB 1 82 CYS H 2.700 . 6.000 4.060 3.906 4.201 . 0 0 "[ . 1 . 2]" 1
725 1 20 LEU QD 1 82 CYS H 2.700 . 6.000 4.869 4.226 5.391 . 0 0 "[ . 1 . 2]" 1
726 1 83 MET H 1 83 MET HB2 2.700 . 3.600 2.321 2.065 3.532 . 0 0 "[ . 1 . 2]" 1
727 1 114 PHE QD 1 115 LEU H 2.900 . 3.900 3.199 2.991 3.396 . 0 0 "[ . 1 . 2]" 1
728 1 114 PHE QE 1 115 LEU H 3.100 . 6.000 5.067 4.881 5.255 . 0 0 "[ . 1 . 2]" 1
729 1 115 LEU H 1 115 LEU MD2 2.500 . 3.300 2.755 2.439 2.932 . 0 0 "[ . 1 . 2]" 1
730 1 114 PHE HB3 1 115 LEU H 3.200 . 4.500 2.244 2.166 2.326 . 0 0 "[ . 1 . 2]" 1
731 1 114 PHE HB2 1 115 LEU H 4.100 . 6.000 3.723 3.653 3.786 . 0 0 "[ . 1 . 2]" 1
732 1 117 LYS H 1 120 GLN HB2 2.600 . 6.000 5.948 5.660 6.103 0.103 10 0 "[ . 1 . 2]" 1
733 1 116 GLN HB2 1 117 LYS H 2.600 . 3.400 3.079 2.880 3.349 . 0 0 "[ . 1 . 2]" 1
734 1 84 GLN H 1 84 GLN QB 2.000 . 2.500 2.178 2.030 2.473 . 0 0 "[ . 1 . 2]" 1
735 1 83 MET HB2 1 84 GLN H 3.400 . 4.800 3.575 2.884 4.360 . 0 0 "[ . 1 . 2]" 1
736 1 121 MET H 1 121 MET HB3 2.100 . 6.000 3.402 2.074 3.563 . 0 0 "[ . 1 . 2]" 1
737 1 121 MET H 1 121 MET HB2 2.300 . 2.900 2.238 2.072 3.318 0.418 8 0 "[ . 1 . 2]" 1
738 1 120 GLN H 1 120 GLN HB2 2.300 . 3.000 2.738 2.595 2.864 . 0 0 "[ . 1 . 2]" 1
739 1 119 ALA MB 1 120 GLN H 2.400 . 3.100 3.049 2.824 3.158 0.058 4 0 "[ . 1 . 2]" 1
740 1 117 LYS HB3 1 118 VAL H 2.900 . 4.000 3.584 3.251 3.967 . 0 0 "[ . 1 . 2]" 1
741 1 82 CYS HA 1 84 GLN H 3.800 . 5.600 3.764 3.468 4.279 . 0 0 "[ . 1 . 2]" 1
742 1 83 MET H 1 84 GLN H 2.600 . 3.500 2.655 2.566 2.732 . 0 0 "[ . 1 . 2]" 1
743 1 84 GLN HE22 1 84 GLN QG 2.700 . 3.600 3.303 3.214 3.483 . 0 0 "[ . 1 . 2]" 1
744 1 85 ASP H 1 86 PHE H 2.700 . 3.600 2.589 2.374 2.842 . 0 0 "[ . 1 . 2]" 1
745 1 85 ASP H 1 86 PHE QD 3.400 . 6.000 5.364 4.890 5.762 . 0 0 "[ . 1 . 2]" 1
746 1 85 ASP H 1 87 ASN H 4.100 . 6.000 4.118 3.949 4.213 . 0 0 "[ . 1 . 2]" 1
747 1 83 MET H 1 85 ASP H 4.800 . 6.000 4.273 3.905 4.632 . 0 0 "[ . 1 . 2]" 1
748 1 85 ASP H 1 88 THR H 3.600 . 5.300 4.590 4.387 4.827 . 0 0 "[ . 1 . 2]" 1
749 1 76 TYR QE 1 85 ASP H 4.300 . 6.000 5.247 4.483 6.057 0.057 10 0 "[ . 1 . 2]" 1
750 1 82 CYS H 1 85 ASP H 5.500 . 6.000 5.067 4.608 5.423 . 0 0 "[ . 1 . 2]" 1
751 1 85 ASP H 1 85 ASP HA 2.600 . 3.500 2.839 2.789 2.880 . 0 0 "[ . 1 . 2]" 1
752 1 82 CYS HA 1 85 ASP H 2.900 . 3.900 3.079 2.689 3.488 . 0 0 "[ . 1 . 2]" 1
753 1 85 ASP H 1 85 ASP QB 2.300 . 6.000 2.487 2.068 2.904 . 0 0 "[ . 1 . 2]" 1
754 1 84 GLN QB 1 85 ASP H 2.300 . 3.000 2.622 2.231 3.002 0.002 9 0 "[ . 1 . 2]" 1
755 1 82 CYS HB2 1 85 ASP H 3.400 . 6.000 5.548 5.280 5.893 . 0 0 "[ . 1 . 2]" 1
756 1 67 ILE MG 1 85 ASP H 3.600 . 5.200 5.242 5.204 5.291 0.091 18 0 "[ . 1 . 2]" 1
757 1 67 ILE MD 1 85 ASP H 3.900 . 5.800 4.748 4.389 5.226 . 0 0 "[ . 1 . 2]" 1
758 1 86 PHE H 1 87 ASN H 3.200 . 4.500 2.774 2.683 2.865 . 0 0 "[ . 1 . 2]" 1
759 1 86 PHE H 1 88 THR H 4.400 . 6.000 4.099 3.808 4.281 . 0 0 "[ . 1 . 2]" 1
760 1 83 MET HA 1 86 PHE H 2.800 . 3.800 3.547 3.146 3.821 0.021 15 0 "[ . 1 . 2]" 1
761 1 106 MET H 1 106 MET HA 2.600 . 3.500 2.848 2.818 2.878 . 0 0 "[ . 1 . 2]" 1
762 1 86 PHE H 1 86 PHE QB 2.500 . 3.300 2.048 2.019 2.112 . 0 0 "[ . 1 . 2]" 1
763 1 103 ILE HG13 1 106 MET H 2.800 . 6.000 4.764 4.422 5.239 . 0 0 "[ . 1 . 2]" 1
764 1 67 ILE MD 1 86 PHE H 3.000 . 4.100 3.399 2.896 4.065 . 0 0 "[ . 1 . 2]" 1
765 1 105 LEU HB3 1 106 MET H 3.900 . 5.800 3.164 2.978 3.281 . 0 0 "[ . 1 . 2]" 1
766 1 87 ASN H 1 88 THR H 2.900 . 3.900 2.688 2.536 2.782 . 0 0 "[ . 1 . 2]" 1
767 1 87 ASN H 1 87 ASN HA 2.500 . 3.300 2.806 2.784 2.838 . 0 0 "[ . 1 . 2]" 1
768 1 87 ASN H 1 87 ASN QB 2.000 . 2.500 2.197 2.050 2.258 . 0 0 "[ . 1 . 2]" 1
769 1 86 PHE QB 1 87 ASN H 4.600 . 6.000 2.558 2.372 2.718 . 0 0 "[ . 1 . 2]" 1
770 1 67 ILE MD 1 87 ASN H 6.000 . 6.000 4.958 4.530 5.520 . 0 0 "[ . 1 . 2]" 1
771 1 87 ASN HA 1 87 ASN HD21 3.100 . 4.300 4.304 4.081 4.391 0.091 15 0 "[ . 1 . 2]" 1
772 1 87 ASN HA 1 88 THR H 2.600 . 6.000 3.531 3.495 3.554 . 0 0 "[ . 1 . 2]" 1
773 1 85 ASP HA 1 88 THR H 3.600 . 5.200 3.287 2.809 3.629 . 0 0 "[ . 1 . 2]" 1
774 1 88 THR H 1 88 THR HA 2.900 . 3.900 2.798 2.761 2.838 . 0 0 "[ . 1 . 2]" 1
775 1 88 THR H 1 89 MET QB 2.900 . 6.000 4.425 4.248 5.011 . 0 0 "[ . 1 . 2]" 1
776 1 88 THR H 1 88 THR MG 2.700 . 6.000 3.753 3.739 3.767 . 0 0 "[ . 1 . 2]" 1
777 1 85 ASP HA 1 89 MET H 4.400 . 6.000 3.945 3.791 4.141 . 0 0 "[ . 1 . 2]" 1
778 1 88 THR HB 1 89 MET H 2.900 . 3.900 2.517 2.389 2.729 . 0 0 "[ . 1 . 2]" 1
779 1 63 ASP H 1 89 MET H 4.100 . 6.000 6.028 5.881 6.079 0.079 17 0 "[ . 1 . 2]" 1
780 1 88 THR H 1 89 MET H 2.900 . 3.900 2.766 2.614 2.893 . 0 0 "[ . 1 . 2]" 1
781 1 87 ASN QB 1 89 MET H 3.100 . 6.000 4.912 4.755 5.075 . 0 0 "[ . 1 . 2]" 1
782 1 89 MET H 1 89 MET HB2 2.600 . 3.500 2.988 2.698 3.613 0.113 6 0 "[ . 1 . 2]" 1
783 1 88 THR MG 1 89 MET H 2.600 . 3.400 3.389 3.217 3.436 0.036 11 0 "[ . 1 . 2]" 1
784 1 67 ILE MD 1 89 MET H 2.700 . 3.600 3.585 3.448 3.692 0.092 9 0 "[ . 1 . 2]" 1
785 1 90 PHE H 1 91 THR H 2.700 . 3.600 2.587 2.456 2.704 . 0 0 "[ . 1 . 2]" 1
786 1 89 MET H 1 90 PHE H 2.900 . 4.000 2.803 2.707 2.867 . 0 0 "[ . 1 . 2]" 1
787 1 90 PHE H 1 90 PHE QD 2.700 . 3.600 3.304 3.140 3.522 . 0 0 "[ . 1 . 2]" 1
788 1 90 PHE H 1 91 THR HB 3.900 . 6.000 5.847 5.135 6.109 0.109 8 0 "[ . 1 . 2]" 1
789 1 89 MET HA 1 90 PHE H 4.100 . 6.000 3.531 3.502 3.545 . 0 0 "[ . 1 . 2]" 1
790 1 90 PHE H 1 90 PHE HB2 2.600 . 3.400 2.215 2.150 2.276 . 0 0 "[ . 1 . 2]" 1
791 1 89 MET QB 1 90 PHE H 2.600 . 3.500 2.923 2.535 3.527 0.027 6 0 "[ . 1 . 2]" 1
792 1 90 PHE H 1 91 THR MG 3.700 . 5.400 5.041 4.383 5.588 0.188 13 0 "[ . 1 . 2]" 1
793 1 88 THR MG 1 90 PHE H 3.500 . 5.000 4.913 4.753 5.013 0.013 17 0 "[ . 1 . 2]" 1
794 1 91 THR H 1 95 ILE MD 3.500 . 5.100 5.069 4.962 5.129 0.029 15 0 "[ . 1 . 2]" 1
795 1 91 THR H 1 91 THR MG 2.600 . 3.400 3.001 2.389 3.538 0.138 13 0 "[ . 1 . 2]" 1
796 1 91 THR H 1 92 ASN H 2.600 . 3.400 2.609 2.510 2.762 . 0 0 "[ . 1 . 2]" 1
797 1 92 ASN H 1 92 ASN HB2 2.600 . 3.500 2.627 2.145 3.101 . 0 0 "[ . 1 . 2]" 1
798 1 92 ASN H 1 93 CYS HB2 3.200 . 6.000 5.580 4.583 6.075 0.075 19 0 "[ . 1 . 2]" 1
799 1 92 ASN H 1 92 ASN HB3 2.700 . 3.600 2.833 2.071 3.573 . 0 0 "[ . 1 . 2]" 1
800 1 91 THR MG 1 92 ASN H 2.900 . 4.000 4.105 4.043 4.146 0.146 2 0 "[ . 1 . 2]" 1
801 1 88 THR MG 1 92 ASN H 3.100 . 4.300 3.722 3.269 3.981 . 0 0 "[ . 1 . 2]" 1
802 1 92 ASN H 1 95 ILE MD 3.100 . 4.300 3.890 3.684 4.121 . 0 0 "[ . 1 . 2]" 1
803 1 58 ILE MD 1 92 ASN H 3.500 . 5.100 4.778 4.505 5.064 . 0 0 "[ . 1 . 2]" 1
804 1 58 ILE MG 1 92 ASN H 3.700 . 5.400 4.785 4.495 5.076 . 0 0 "[ . 1 . 2]" 1
805 1 92 ASN H 1 92 ASN HD21 3.400 . 4.800 4.093 2.449 4.692 . 0 0 "[ . 1 . 2]" 1
806 1 92 ASN H 1 92 ASN HD22 3.900 . 5.800 5.020 4.116 5.558 . 0 0 "[ . 1 . 2]" 1
807 1 19 GLN HE21 1 125 GLU H 3.700 . 5.400 3.415 2.846 5.161 . 0 0 "[ . 1 . 2]" 1
808 1 19 GLN HE21 1 124 GLU H 3.100 . 4.300 3.935 3.402 4.743 0.443 5 0 "[ . 1 . 2]" 1
809 1 124 GLU HA 1 125 GLU H 2.200 . 6.000 3.460 3.118 3.524 . 0 0 "[ . 1 . 2]" 1
810 1 124 GLU H 1 124 GLU HA 2.200 . 2.800 2.899 2.827 2.922 0.122 11 0 "[ . 1 . 2]" 1
811 1 19 GLN H 1 19 GLN HE21 6.000 . 6.000 4.917 4.255 5.182 . 0 0 "[ . 1 . 2]" 1
812 1 19 GLN H 1 19 GLN HE22 4.700 . 6.000 5.947 5.540 6.082 0.082 10 0 "[ . 1 . 2]" 1
813 1 80 SER H 1 121 MET ME 3.600 . 5.200 4.678 4.062 5.214 0.014 15 0 "[ . 1 . 2]" 1
814 1 78 SER HA 1 80 SER H 4.500 . 6.000 4.135 3.974 4.263 . 0 0 "[ . 1 . 2]" 1
815 1 80 SER H 1 83 MET H 4.400 . 6.000 4.815 4.587 5.104 . 0 0 "[ . 1 . 2]" 1
816 1 93 CYS H 1 93 CYS HB2 2.800 . 3.800 2.766 2.108 3.313 . 0 0 "[ . 1 . 2]" 1
817 1 93 CYS H 1 93 CYS HB3 2.300 . 3.000 2.361 2.043 3.425 0.425 9 0 "[ . 1 . 2]" 1
818 1 93 CYS H 1 103 ILE HG12 6.000 . 6.000 6.041 5.819 6.145 0.145 18 0 "[ . 1 . 2]" 1
819 1 58 ILE MD 1 93 CYS H 4.900 . 6.000 5.051 4.744 5.566 . 0 0 "[ . 1 . 2]" 1
820 1 94 TYR H 1 96 TYR H 4.000 . 6.000 4.412 4.251 4.556 . 0 0 "[ . 1 . 2]" 1
821 1 90 PHE HA 1 94 TYR H 3.000 . 6.000 4.706 4.397 5.035 . 0 0 "[ . 1 . 2]" 1
822 1 94 TYR H 1 94 TYR HB3 2.700 . 3.600 3.582 3.542 3.613 0.013 9 0 "[ . 1 . 2]" 1
823 1 94 TYR H 1 104 VAL MG2 3.900 . 5.800 4.041 3.778 4.241 . 0 0 "[ . 1 . 2]" 1
824 1 91 THR MG 1 94 TYR H 3.900 . 5.800 4.773 4.478 4.998 . 0 0 "[ . 1 . 2]" 1
825 1 93 CYS HB3 1 94 TYR H 2.700 . 3.600 2.894 2.560 3.459 . 0 0 "[ . 1 . 2]" 1
826 1 95 ILE H 1 96 TYR H 2.700 . 3.600 2.471 2.350 2.700 . 0 0 "[ . 1 . 2]" 1
827 1 94 TYR QD 1 95 ILE H 3.400 . 4.900 4.609 4.538 4.696 . 0 0 "[ . 1 . 2]" 1
828 1 93 CYS H 1 95 ILE H 3.500 . 5.000 4.074 3.906 4.212 . 0 0 "[ . 1 . 2]" 1
829 1 95 ILE H 1 95 ILE HA 2.600 . 3.400 2.903 2.857 2.921 . 0 0 "[ . 1 . 2]" 1
830 1 94 TYR HB2 1 95 ILE H 3.500 . 5.000 3.047 2.760 3.317 . 0 0 "[ . 1 . 2]" 1
831 1 94 TYR HB3 1 95 ILE H 3.300 . 4.600 3.873 3.641 4.096 . 0 0 "[ . 1 . 2]" 1
832 1 95 ILE H 1 95 ILE HG12 3.000 . 4.100 3.832 3.685 3.966 . 0 0 "[ . 1 . 2]" 1
833 1 58 ILE MD 1 95 ILE H 3.800 . 5.600 3.890 3.587 4.303 . 0 0 "[ . 1 . 2]" 1
834 1 95 ILE H 1 97 ASN H 4.100 . 6.000 3.796 3.631 4.278 . 0 0 "[ . 1 . 2]" 1
835 1 97 ASN H 1 97 ASN HA 2.600 . 3.400 2.925 2.871 2.948 . 0 0 "[ . 1 . 2]" 1
836 1 95 ILE HB 1 97 ASN H 3.300 . 4.700 4.785 4.753 4.827 0.127 17 0 "[ . 1 . 2]" 1
837 1 122 PRO HA 1 123 GLN H 2.100 . 2.600 2.223 2.146 2.432 . 0 0 "[ . 1 . 2]" 1
838 1 98 LYS H 1 98 LYS HA 2.600 . 3.400 2.904 2.821 2.948 . 0 0 "[ . 1 . 2]" 1
839 1 97 ASN HB3 1 98 LYS H 2.500 . 3.300 2.244 1.778 3.035 . 0 0 "[ . 1 . 2]" 1
840 1 123 GLN H 1 123 GLN HB3 2.100 . 6.000 3.392 2.925 3.620 . 0 0 "[ . 1 . 2]" 1
841 1 98 LYS H 1 98 LYS HB2 2.400 . 3.100 2.534 2.078 3.549 0.449 1 0 "[ . 1 . 2]" 1
842 1 121 MET HB2 1 123 GLN H 3.100 . 6.000 5.583 4.784 6.060 0.060 8 0 "[ . 1 . 2]" 1
843 1 98 LYS H 1 104 VAL MG2 2.900 . 6.000 3.753 3.335 4.235 . 0 0 "[ . 1 . 2]" 1
844 1 98 LYS H 1 103 ILE MG 3.500 . 6.000 4.508 3.572 5.151 . 0 0 "[ . 1 . 2]" 1
845 1 123 GLN H 1 123 GLN HB2 3.200 . 4.500 2.226 2.071 2.808 . 0 0 "[ . 1 . 2]" 1
846 1 107 ALA H 1 107 ALA MB 2.200 . 2.800 2.119 2.033 2.231 . 0 0 "[ . 1 . 2]" 1
847 1 106 MET H 1 107 ALA H 2.600 . 3.500 2.521 2.387 2.679 . 0 0 "[ . 1 . 2]" 1
848 1 107 ALA H 1 108 GLN H 2.800 . 3.800 2.772 2.684 2.892 . 0 0 "[ . 1 . 2]" 1
849 1 98 LYS H 1 100 THR H 2.800 . 6.000 4.731 4.246 4.992 . 0 0 "[ . 1 . 2]" 1
850 1 100 THR H 1 100 THR HA 2.300 . 3.000 2.926 2.880 2.947 . 0 0 "[ . 1 . 2]" 1
851 1 99 PRO HD2 1 100 THR H 2.600 . 3.500 2.898 2.593 3.200 . 0 0 "[ . 1 . 2]" 1
852 1 99 PRO HB2 1 100 THR H 3.000 . 4.200 3.390 2.935 3.917 . 0 0 "[ . 1 . 2]" 1
853 1 98 LYS QB 1 100 THR H 2.300 . 3.000 2.321 2.025 2.571 . 0 0 "[ . 1 . 2]" 1
854 1 99 PRO HG3 1 100 THR H 2.700 . 6.000 4.526 4.228 4.756 . 0 0 "[ . 1 . 2]" 1
855 1 100 THR H 1 100 THR MG 2.200 . 6.000 3.528 3.311 3.778 . 0 0 "[ . 1 . 2]" 1
856 1 101 ASP H 1 101 ASP HB3 2.600 . 3.400 2.995 2.751 3.498 0.098 20 0 "[ . 1 . 2]" 1
857 1 101 ASP H 1 101 ASP HB2 2.500 . 3.300 2.347 2.135 2.832 . 0 0 "[ . 1 . 2]" 1
858 1 99 PRO HB3 1 101 ASP H 2.700 . 6.000 5.554 5.259 5.743 . 0 0 "[ . 1 . 2]" 1
859 1 102 ASP HB3 1 103 ILE H 3.100 . 4.300 3.096 2.320 3.758 . 0 0 "[ . 1 . 2]" 1
860 1 102 ASP HB2 1 103 ILE H 3.400 . 4.800 2.888 2.438 3.631 . 0 0 "[ . 1 . 2]" 1
861 1 101 ASP HB3 1 104 VAL H 3.100 . 4.300 2.462 2.097 2.888 . 0 0 "[ . 1 . 2]" 1
862 1 104 VAL H 1 104 VAL HB 2.400 . 3.100 2.235 2.153 2.330 . 0 0 "[ . 1 . 2]" 1
863 1 104 VAL H 1 105 LEU HB3 4.600 . 6.000 5.704 5.447 5.882 . 0 0 "[ . 1 . 2]" 1
864 1 103 ILE MG 1 104 VAL H 2.400 . 3.100 2.026 1.849 2.305 . 0 0 "[ . 1 . 2]" 1
865 1 101 ASP HB2 1 104 VAL H 3.000 . 4.100 3.939 3.273 4.399 0.299 18 0 "[ . 1 . 2]" 1
866 1 104 VAL H 1 104 VAL HA 2.800 . 3.800 2.841 2.819 2.860 . 0 0 "[ . 1 . 2]" 1
867 1 101 ASP H 1 104 VAL H 3.300 . 4.700 4.221 3.923 4.401 . 0 0 "[ . 1 . 2]" 1
868 1 104 VAL H 1 106 MET H 4.100 . 6.000 3.902 3.763 4.118 . 0 0 "[ . 1 . 2]" 1
869 1 102 ASP H 1 104 VAL H 4.100 . 6.000 4.004 3.775 4.331 . 0 0 "[ . 1 . 2]" 1
870 1 104 VAL H 1 104 VAL MG2 4.000 . 6.000 2.824 2.598 3.055 . 0 0 "[ . 1 . 2]" 1
871 1 103 ILE MD 1 104 VAL H 4.500 . 6.000 4.806 4.688 4.904 . 0 0 "[ . 1 . 2]" 1
872 1 105 LEU H 1 106 MET H 2.700 . 3.600 2.623 2.531 2.754 . 0 0 "[ . 1 . 2]" 1
873 1 101 ASP H 1 105 LEU H 3.700 . 5.400 4.512 4.134 4.837 . 0 0 "[ . 1 . 2]" 1
874 1 104 VAL H 1 105 LEU H 2.400 . 3.100 2.560 2.447 2.651 . 0 0 "[ . 1 . 2]" 1
875 1 101 ASP HB3 1 105 LEU H 4.000 . 6.000 4.260 3.831 4.788 . 0 0 "[ . 1 . 2]" 1
876 1 103 ILE MD 1 105 LEU H 5.400 . 6.000 6.037 5.968 6.098 0.098 12 0 "[ . 1 . 2]" 1
877 1 106 MET HB3 1 107 ALA H 2.800 . 3.800 3.578 3.374 3.939 0.139 6 0 "[ . 1 . 2]" 1
878 1 90 PHE QE 1 108 GLN H 3.700 . 5.400 5.389 5.231 5.460 0.060 10 0 "[ . 1 . 2]" 1
879 1 94 TYR QE 1 108 GLN H 2.700 . 6.000 3.772 3.169 4.728 . 0 0 "[ . 1 . 2]" 1
880 1 108 GLN H 1 109 ALA H 2.600 . 3.500 2.726 2.630 2.799 . 0 0 "[ . 1 . 2]" 1
881 1 108 GLN H 1 110 LEU H 3.800 . 5.600 4.010 3.902 4.174 . 0 0 "[ . 1 . 2]" 1
882 1 108 GLN H 1 111 GLU H 4.200 . 6.000 4.705 4.596 4.806 . 0 0 "[ . 1 . 2]" 1
883 1 104 VAL MG1 1 108 GLN H 3.100 . 4.300 3.878 3.560 4.201 . 0 0 "[ . 1 . 2]" 1
884 1 105 LEU MD2 1 108 GLN H 3.300 . 6.000 5.270 4.927 5.563 . 0 0 "[ . 1 . 2]" 1
885 1 108 GLN H 1 108 GLN HB2 2.500 . 3.300 2.274 2.055 3.339 0.039 2 0 "[ . 1 . 2]" 1
886 1 109 ALA H 1 111 GLU H 3.700 . 5.400 4.043 3.896 4.235 . 0 0 "[ . 1 . 2]" 1
887 1 107 ALA H 1 109 ALA H 4.600 . 6.000 4.374 4.190 4.540 . 0 0 "[ . 1 . 2]" 1
888 1 109 ALA H 1 110 LEU H 2.600 . 3.400 2.456 2.366 2.589 . 0 0 "[ . 1 . 2]" 1
889 1 109 ALA H 1 109 ALA HA 2.300 . 2.900 2.864 2.834 2.884 . 0 0 "[ . 1 . 2]" 1
890 1 106 MET HA 1 109 ALA H 2.800 . 3.800 3.473 3.341 3.580 . 0 0 "[ . 1 . 2]" 1
891 1 109 ALA H 1 112 LYS QE 3.800 . 6.000 5.256 4.092 6.060 0.060 19 0 "[ . 1 . 2]" 1
892 1 108 GLN HB2 1 109 ALA H 2.600 . 3.400 3.099 2.480 3.887 0.487 20 0 "[ . 1 . 2]" 1
893 1 109 ALA H 1 109 ALA MB 2.000 . 2.500 2.210 2.065 2.258 . 0 0 "[ . 1 . 2]" 1
894 1 105 LEU MD2 1 109 ALA H 3.600 . 5.200 5.182 5.019 5.243 0.043 3 0 "[ . 1 . 2]" 1
895 1 108 GLN HB2 1 108 GLN HE22 3.200 . 4.500 3.673 3.161 4.319 . 0 0 "[ . 1 . 2]" 1
896 1 105 LEU MD2 1 108 GLN HE21 3.700 . 5.400 4.336 2.533 5.845 0.445 12 0 "[ . 1 . 2]" 1
897 1 90 PHE QE 1 110 LEU H 3.400 . 4.900 4.263 4.095 4.460 . 0 0 "[ . 1 . 2]" 1
898 1 109 ALA MB 1 110 LEU H 2.100 . 2.600 2.594 2.504 2.623 0.023 17 0 "[ . 1 . 2]" 1
899 1 110 LEU H 1 110 LEU HB3 3.000 . 4.200 3.467 3.444 3.491 . 0 0 "[ . 1 . 2]" 1
900 1 31 LEU MD2 1 110 LEU H 3.800 . 5.600 4.463 4.323 4.648 . 0 0 "[ . 1 . 2]" 1
901 1 94 TYR QE 1 111 GLU H 3.400 . 6.000 5.890 5.618 6.062 0.062 9 0 "[ . 1 . 2]" 1
902 1 110 LEU H 1 111 GLU H 2.600 . 3.400 2.698 2.617 2.759 . 0 0 "[ . 1 . 2]" 1
903 1 107 ALA HA 1 111 GLU H 3.200 . 4.500 3.867 3.666 4.136 . 0 0 "[ . 1 . 2]" 1
904 1 110 LEU HA 1 111 GLU H 3.000 . 4.100 3.526 3.505 3.557 . 0 0 "[ . 1 . 2]" 1
905 1 108 GLN HB2 1 111 GLU H 4.400 . 6.000 5.744 5.354 5.962 . 0 0 "[ . 1 . 2]" 1
906 1 111 GLU H 1 111 GLU HB2 2.600 . 3.400 2.322 2.011 3.604 0.204 17 0 "[ . 1 . 2]" 1
907 1 31 LEU QD 1 111 GLU H 3.200 . 4.500 4.146 4.037 4.254 . 0 0 "[ . 1 . 2]" 1
908 1 109 ALA HA 1 112 LYS H 2.800 . 3.800 3.596 3.310 3.803 0.003 9 0 "[ . 1 . 2]" 1
909 1 112 LYS H 1 112 LYS HA 2.400 . 3.100 2.822 2.796 2.847 . 0 0 "[ . 1 . 2]" 1
910 1 112 LYS H 1 113 ILE HA 3.600 . 5.200 5.226 5.175 5.265 0.065 8 0 "[ . 1 . 2]" 1
911 1 111 GLU HA 1 112 LYS H 4.300 . 6.000 3.466 3.427 3.499 . 0 0 "[ . 1 . 2]" 1
912 1 112 LYS H 1 112 LYS QE 4.000 . 6.000 4.144 2.896 5.446 . 0 0 "[ . 1 . 2]" 1
913 1 112 LYS H 1 116 GLN HB2 4.900 . 6.000 6.106 6.067 6.168 0.168 9 0 "[ . 1 . 2]" 1
914 1 112 LYS H 1 112 LYS HB2 1.900 . 2.400 2.235 2.071 2.983 0.583 7 1 "[ . + 1 . 2]" 1
915 1 112 LYS H 1 112 LYS HG3 2.500 . 6.000 3.569 2.309 4.516 . 0 0 "[ . 1 . 2]" 1
916 1 112 LYS H 1 115 LEU HG 2.800 . 6.000 5.110 4.755 5.737 . 0 0 "[ . 1 . 2]" 1
917 1 111 GLU HB3 1 112 LYS H 3.100 . 4.300 3.240 2.963 4.109 . 0 0 "[ . 1 . 2]" 1
918 1 112 LYS H 1 113 ILE H 2.500 . 3.300 2.611 2.549 2.681 . 0 0 "[ . 1 . 2]" 1
919 1 111 GLU H 1 112 LYS H 2.600 . 3.500 2.698 2.580 2.860 . 0 0 "[ . 1 . 2]" 1
920 1 113 ILE H 1 114 PHE HB2 3.600 . 5.200 4.880 4.770 4.998 . 0 0 "[ . 1 . 2]" 1
921 1 113 ILE H 1 114 PHE HB3 3.600 . 5.200 4.614 4.469 4.778 . 0 0 "[ . 1 . 2]" 1
922 1 113 ILE H 1 116 GLN HB2 4.400 . 6.000 4.301 4.211 4.449 . 0 0 "[ . 1 . 2]" 1
923 1 112 LYS H 1 114 PHE H 3.700 . 5.400 3.811 3.563 3.971 . 0 0 "[ . 1 . 2]" 1
924 1 111 GLU HA 1 114 PHE H 3.300 . 4.600 3.258 2.983 3.475 . 0 0 "[ . 1 . 2]" 1
925 1 113 ILE HG12 1 114 PHE H 3.600 . 5.200 4.453 3.368 4.936 . 0 0 "[ . 1 . 2]" 1
926 1 114 PHE H 1 115 LEU HB3 3.300 . 6.000 5.559 5.192 5.971 . 0 0 "[ . 1 . 2]" 1
927 1 116 GLN H 1 116 GLN QG 2.500 . 3.300 3.377 3.289 3.482 0.182 17 0 "[ . 1 . 2]" 1
928 1 116 GLN H 1 118 VAL MG2 4.700 . 6.000 4.715 4.392 4.822 . 0 0 "[ . 1 . 2]" 1
929 1 116 GLN H 1 118 VAL MG1 5.100 . 6.000 6.030 5.894 6.093 0.093 16 0 "[ . 1 . 2]" 1
930 1 115 LEU HB3 1 116 GLN H 2.500 . 6.000 4.105 3.893 4.280 . 0 0 "[ . 1 . 2]" 1
931 1 115 LEU MD1 1 116 GLN H 5.000 . 6.000 3.062 2.687 3.626 . 0 0 "[ . 1 . 2]" 1
932 1 116 GLN H 1 117 LYS HB2 3.300 . 4.700 4.712 4.520 4.815 0.115 14 0 "[ . 1 . 2]" 1
933 1 115 LEU HB2 1 116 GLN H 2.300 . 6.000 3.874 3.564 4.161 . 0 0 "[ . 1 . 2]" 1
934 1 116 GLN H 1 116 GLN HB2 2.400 . 3.100 2.010 1.977 2.058 . 0 0 "[ . 1 . 2]" 1
935 1 116 GLN H 1 116 GLN HA 2.500 . 3.300 2.790 2.758 2.830 . 0 0 "[ . 1 . 2]" 1
936 1 116 GLN H 1 119 ALA H 4.000 . 6.000 4.753 4.573 4.858 . 0 0 "[ . 1 . 2]" 1
937 1 116 GLN H 1 117 LYS H 2.600 . 3.400 2.748 2.604 2.848 . 0 0 "[ . 1 . 2]" 1
938 1 116 GLN H 1 118 VAL H 3.700 . 5.400 3.844 3.742 3.934 . 0 0 "[ . 1 . 2]" 1
939 1 116 GLN H 1 116 GLN HB3 2.200 . 6.000 3.216 3.082 3.319 . 0 0 "[ . 1 . 2]" 1
940 1 116 GLN HA 1 117 LYS H 3.900 . 5.800 3.544 3.503 3.563 . 0 0 "[ . 1 . 2]" 1
941 1 117 LYS H 1 117 LYS QE 5.000 . 6.000 4.631 3.814 5.030 . 0 0 "[ . 1 . 2]" 1
942 1 116 GLN QG 1 117 LYS H 3.500 . 5.000 4.362 4.207 4.519 . 0 0 "[ . 1 . 2]" 1
943 1 117 LYS H 1 119 ALA H 3.400 . 4.900 4.004 3.814 4.144 . 0 0 "[ . 1 . 2]" 1
944 1 117 LYS H 1 118 VAL H 2.800 . 3.800 2.347 2.083 2.595 . 0 0 "[ . 1 . 2]" 1
945 1 117 LYS H 1 117 LYS HB2 2.700 . 3.600 2.182 2.097 2.516 . 0 0 "[ . 1 . 2]" 1
946 1 117 LYS H 1 117 LYS QG 2.800 . 3.800 3.569 2.049 3.862 0.062 4 0 "[ . 1 . 2]" 1
947 1 117 LYS H 1 118 VAL MG1 4.300 . 6.000 5.625 5.384 5.859 . 0 0 "[ . 1 . 2]" 1
948 1 117 LYS H 1 118 VAL MG2 4.400 . 6.000 3.900 3.612 4.114 . 0 0 "[ . 1 . 2]" 1
949 1 118 VAL H 1 120 GLN H 3.900 . 5.800 3.843 3.702 3.960 . 0 0 "[ . 1 . 2]" 1
950 1 117 LYS HA 1 118 VAL H 3.400 . 4.800 3.445 3.360 3.511 . 0 0 "[ . 1 . 2]" 1
951 1 116 GLN HA 1 118 VAL H 3.400 . 4.900 4.376 4.115 4.509 . 0 0 "[ . 1 . 2]" 1
952 1 116 GLN HB2 1 118 VAL H 3.200 . 6.000 5.009 4.852 5.141 . 0 0 "[ . 1 . 2]" 1
953 1 118 VAL H 1 118 VAL HB 2.300 . 3.000 2.394 2.313 2.494 . 0 0 "[ . 1 . 2]" 1
954 1 117 LYS QG 1 118 VAL H 3.700 . 5.400 4.618 3.971 4.731 . 0 0 "[ . 1 . 2]" 1
955 1 118 VAL H 1 118 VAL MG1 2.500 . 6.000 3.736 3.697 3.764 . 0 0 "[ . 1 . 2]" 1
956 1 118 VAL H 1 118 VAL MG2 2.300 . 3.000 2.416 2.201 2.650 . 0 0 "[ . 1 . 2]" 1
957 1 118 VAL H 1 119 ALA H 2.400 . 3.100 2.494 2.333 2.609 . 0 0 "[ . 1 . 2]" 1
958 1 119 ALA H 1 120 GLN H 2.500 . 3.300 2.540 2.510 2.597 . 0 0 "[ . 1 . 2]" 1
959 1 115 LEU H 1 119 ALA H 4.300 . 6.000 6.017 5.892 6.089 0.089 9 0 "[ . 1 . 2]" 1
960 1 119 ALA H 1 120 GLN HA 3.500 . 5.100 5.157 5.120 5.191 0.091 12 0 "[ . 1 . 2]" 1
961 1 119 ALA H 1 119 ALA HA 2.200 . 2.800 2.832 2.795 2.849 0.049 6 0 "[ . 1 . 2]" 1
962 1 118 VAL HB 1 119 ALA H 2.500 . 3.300 2.863 2.722 2.964 . 0 0 "[ . 1 . 2]" 1
963 1 119 ALA H 1 120 GLN HG2 3.100 . 4.300 4.319 3.291 4.821 0.521 16 2 "[ - 1 .+ 2]" 1
964 1 119 ALA H 1 119 ALA MB 1.900 . 2.400 2.169 2.040 2.246 . 0 0 "[ . 1 . 2]" 1
965 1 118 VAL MG1 1 119 ALA H 2.700 . 3.600 3.440 3.321 3.568 . 0 0 "[ . 1 . 2]" 1
966 1 118 VAL MG2 1 119 ALA H 2.700 . 6.000 4.014 3.881 4.102 . 0 0 "[ . 1 . 2]" 1
967 1 120 GLN H 1 120 GLN HA 2.400 . 3.100 2.925 2.894 2.936 . 0 0 "[ . 1 . 2]" 1
968 1 119 ALA HA 1 120 GLN H 2.700 . 3.600 3.379 3.300 3.428 . 0 0 "[ . 1 . 2]" 1
969 1 118 VAL HA 1 120 GLN H 3.700 . 5.400 3.619 3.430 3.764 . 0 0 "[ . 1 . 2]" 1
970 1 120 GLN H 1 121 MET HA 3.300 . 4.700 4.616 4.458 4.729 0.029 5 0 "[ . 1 . 2]" 1
971 1 120 GLN H 1 120 GLN HB3 2.500 . 6.000 3.690 3.614 3.736 . 0 0 "[ . 1 . 2]" 1
972 1 27 VAL MG2 1 120 GLN H 6.000 . 6.000 5.061 4.762 5.342 . 0 0 "[ . 1 . 2]" 1
973 1 118 VAL MG1 1 120 GLN H 4.500 . 6.000 4.494 4.332 4.639 . 0 0 "[ . 1 . 2]" 1
974 1 22 TYR QE 1 120 GLN H 4.900 . 6.000 4.550 4.390 4.767 . 0 0 "[ . 1 . 2]" 1
975 1 120 GLN H 1 121 MET H 2.500 . 3.300 2.228 2.109 2.396 . 0 0 "[ . 1 . 2]" 1
976 1 119 ALA MB 1 120 GLN HE21 3.700 . 5.400 4.695 2.866 5.553 0.153 5 0 "[ . 1 . 2]" 1
977 1 118 VAL H 1 121 MET H 3.400 . 4.900 4.983 4.917 5.061 0.161 3 0 "[ . 1 . 2]" 1
978 1 119 ALA H 1 121 MET H 3.100 . 4.300 3.984 3.922 4.076 . 0 0 "[ . 1 . 2]" 1
979 1 22 TYR QE 1 121 MET H 3.500 . 5.000 3.889 3.681 4.069 . 0 0 "[ . 1 . 2]" 1
980 1 120 GLN HA 1 121 MET H 2.500 . 3.300 3.247 3.177 3.324 0.024 5 0 "[ . 1 . 2]" 1
981 1 119 ALA HA 1 121 MET H 3.100 . 4.300 3.731 3.633 3.929 . 0 0 "[ . 1 . 2]" 1
982 1 118 VAL HA 1 121 MET H 2.800 . 3.800 3.269 3.131 3.453 . 0 0 "[ . 1 . 2]" 1
983 1 121 MET H 1 121 MET HG3 2.800 . 3.800 3.408 3.078 4.426 0.626 8 1 "[ . + 1 . 2]" 1
984 1 27 VAL MG2 1 121 MET H 3.700 . 5.500 5.005 4.688 5.366 . 0 0 "[ . 1 . 2]" 1
985 1 118 VAL MG1 1 121 MET H 3.500 . 5.000 4.051 3.963 4.140 . 0 0 "[ . 1 . 2]" 1
986 1 118 VAL MG2 1 121 MET H 3.700 . 5.400 5.018 4.903 5.138 . 0 0 "[ . 1 . 2]" 1
987 1 123 GLN HA 1 123 GLN HE21 2.700 . 3.600 3.114 1.903 3.684 0.084 3 0 "[ . 1 . 2]" 1
988 1 123 GLN HE21 1 123 GLN HG2 2.400 . 3.100 2.758 2.105 3.570 0.470 5 0 "[ . 1 . 2]" 1
989 1 123 GLN HB3 1 123 GLN HE21 3.300 . 4.600 3.875 2.809 4.577 . 0 0 "[ . 1 . 2]" 1
990 1 123 GLN HB3 1 123 GLN HE22 3.200 . 4.400 4.489 3.562 5.260 0.860 1 4 "[+ . * 1 - .* 2]" 1
991 1 123 GLN HE22 1 123 GLN QG 2.700 . 3.600 3.287 3.220 3.394 . 0 0 "[ . 1 . 2]" 1
992 1 124 GLU H 1 125 GLU H 2.900 . 4.000 2.262 1.793 3.869 0.007 18 0 "[ . 1 . 2]" 1
993 1 123 GLN H 1 124 GLU H 2.300 . 3.000 2.767 2.492 3.009 0.009 5 0 "[ . 1 . 2]" 1
994 1 19 GLN HE22 1 124 GLU H 3.300 . 4.700 4.607 3.543 4.821 0.121 12 0 "[ . 1 . 2]" 1
995 1 18 ASN QD 1 124 GLU H 4.900 . 6.000 5.647 5.280 5.789 . 0 0 "[ . 1 . 2]" 1
996 1 122 PRO HA 1 124 GLU H 2.900 . 3.900 3.416 3.164 3.716 . 0 0 "[ . 1 . 2]" 1
997 1 123 GLN HA 1 124 GLU H 2.400 . 6.000 3.117 2.876 3.327 . 0 0 "[ . 1 . 2]" 1
998 1 124 GLU H 1 124 GLU HG2 3.200 . 4.500 3.279 1.663 3.960 0.237 16 0 "[ . 1 . 2]" 1
999 1 124 GLU H 1 124 GLU HB2 2.000 . 2.500 2.609 2.320 2.772 0.272 16 0 "[ . 1 . 2]" 1
1000 1 124 GLU H 1 126 VAL MG2 3.700 . 5.400 4.627 4.089 5.398 . 0 0 "[ . 1 . 2]" 1
1001 1 124 GLU H 1 124 GLU HB3 2.800 . 3.800 3.623 3.543 3.703 . 0 0 "[ . 1 . 2]" 1
1002 1 124 GLU H 1 124 GLU HG3 2.100 . 2.700 2.489 1.740 3.303 0.603 20 1 "[ . 1 . +]" 1
1003 1 124 GLU H 1 125 GLU HA 3.800 . 5.600 4.310 3.916 4.596 . 0 0 "[ . 1 . 2]" 1
1004 1 19 GLN HE22 1 125 GLU H 3.400 . 4.800 4.173 3.124 4.833 0.033 7 0 "[ . 1 . 2]" 1
1005 1 125 GLU H 1 125 GLU HA 2.900 . 4.000 2.308 2.244 2.776 . 0 0 "[ . 1 . 2]" 1
1006 1 122 PRO HB2 1 125 GLU H 3.600 . 5.200 2.899 2.389 4.230 . 0 0 "[ . 1 . 2]" 1
1007 1 124 GLU HB2 1 125 GLU H 2.000 . 2.500 2.468 1.701 2.649 0.149 6 0 "[ . 1 . 2]" 1
1008 1 125 GLU H 1 126 VAL MG2 3.400 . 4.800 3.453 3.116 3.715 . 0 0 "[ . 1 . 2]" 1
1009 1 124 GLU HB3 1 125 GLU H 3.900 . 6.000 3.644 2.066 3.911 . 0 0 "[ . 1 . 2]" 1
1010 1 18 ASN HB3 1 126 VAL H 4.400 . 6.000 2.814 2.216 3.509 . 0 0 "[ . 1 . 2]" 1
1011 1 122 PRO HB2 1 126 VAL H 3.400 . 4.800 4.317 3.808 4.881 0.081 8 0 "[ . 1 . 2]" 1
1012 1 125 GLU HB2 1 126 VAL H 2.600 . 6.000 4.403 3.900 4.659 . 0 0 "[ . 1 . 2]" 1
1013 1 126 VAL H 1 128 LEU HG 3.100 . 6.000 5.828 5.440 6.076 0.076 20 0 "[ . 1 . 2]" 1
1014 1 126 VAL H 1 126 VAL HA 2.600 . 3.400 2.931 2.882 2.948 . 0 0 "[ . 1 . 2]" 1
1015 1 125 GLU HA 1 126 VAL H 2.400 . 3.100 2.209 2.119 2.437 . 0 0 "[ . 1 . 2]" 1
1016 1 17 THR HA 1 126 VAL H 5.400 . 6.000 5.427 4.922 5.749 . 0 0 "[ . 1 . 2]" 1
1017 1 19 GLN H 1 126 VAL H 2.800 . 3.800 3.405 3.052 3.685 . 0 0 "[ . 1 . 2]" 1
1018 1 20 LEU H 1 126 VAL H 3.700 . 6.000 5.883 5.462 6.072 0.072 15 0 "[ . 1 . 2]" 1
1019 1 18 ASN H 1 126 VAL H 3.000 . 4.100 3.492 2.933 3.905 . 0 0 "[ . 1 . 2]" 1
1020 1 19 GLN HA 1 126 VAL H 4.600 . 6.000 5.394 5.096 5.967 . 0 0 "[ . 1 . 2]" 1
1021 1 18 ASN H 1 128 LEU H 3.400 . 4.800 3.760 3.426 4.237 . 0 0 "[ . 1 . 2]" 1
1022 1 127 GLU H 1 128 LEU H 3.700 . 5.400 4.603 4.560 4.629 . 0 0 "[ . 1 . 2]" 1
1023 1 16 LYS H 1 128 LEU H 4.200 . 6.000 4.654 3.942 5.227 . 0 0 "[ . 1 . 2]" 1
1024 1 17 THR H 1 128 LEU H 3.300 . 4.700 4.446 4.321 4.668 . 0 0 "[ . 1 . 2]" 1
1025 1 17 THR HA 1 128 LEU H 2.600 . 3.400 2.027 1.857 2.252 . 0 0 "[ . 1 . 2]" 1
1026 1 17 THR HB 1 128 LEU H 3.300 . 4.700 3.932 3.710 4.179 . 0 0 "[ . 1 . 2]" 1
1027 1 18 ASN HB3 1 128 LEU H 6.000 . 6.000 5.955 5.088 6.765 0.765 15 1 "[ . 1 + 2]" 1
1028 1 127 GLU HG2 1 128 LEU H 2.700 . 3.600 2.802 2.225 3.374 . 0 0 "[ . 1 . 2]" 1
1029 1 127 GLU HG3 1 128 LEU H 2.500 . 3.300 3.037 1.770 3.628 0.328 17 0 "[ . 1 . 2]" 1
1030 1 127 GLU HB3 1 128 LEU H 2.800 . 3.800 3.625 3.126 3.844 0.044 8 0 "[ . 1 . 2]" 1
1031 1 127 GLU HB2 1 128 LEU H 2.700 . 6.000 4.210 3.948 4.398 . 0 0 "[ . 1 . 2]" 1
1032 1 128 LEU H 1 128 LEU HB3 2.500 . 6.000 3.668 3.596 3.744 . 0 0 "[ . 1 . 2]" 1
1033 1 128 LEU H 1 128 LEU QD 2.200 . 6.000 3.266 3.040 3.480 . 0 0 "[ . 1 . 2]" 1
1034 1 127 GLU HA 1 128 LEU H 2.400 . 3.100 2.243 2.187 2.335 . 0 0 "[ . 1 . 2]" 1
1035 1 18 ASN H 1 18 ASN HB3 2.900 . 4.000 2.492 2.072 2.837 . 0 0 "[ . 1 . 2]" 1
1036 1 98 LYS QG 1 100 THR H 3.200 . 4.500 4.052 2.738 4.544 0.044 15 0 "[ . 1 . 2]" 1
1037 1 97 ASN H 1 97 ASN HD21 3.100 . 4.300 3.305 2.680 4.458 0.158 9 0 "[ . 1 . 2]" 1
1038 1 40 PHE H 1 110 LEU MD2 3.300 . 6.000 4.613 4.303 5.000 . 0 0 "[ . 1 . 2]" 1
1039 1 90 PHE QE 1 111 GLU H 2.900 . 3.900 3.201 2.959 3.545 . 0 0 "[ . 1 . 2]" 1
1040 1 88 THR H 1 90 PHE H 3.900 . 6.000 4.188 4.046 4.257 . 0 0 "[ . 1 . 2]" 1
1041 1 93 CYS HG 1 108 GLN H 2.600 . 6.000 5.637 5.230 6.060 0.060 19 0 "[ . 1 . 2]" 1
1042 1 37 ALA H 1 64 MET ME 3.100 . 6.000 4.967 4.656 5.372 . 0 0 "[ . 1 . 2]" 1
1043 1 70 ARG HB2 1 71 LEU H 2.300 . 3.000 2.980 2.751 3.102 0.102 3 0 "[ . 1 . 2]" 1
1044 1 33 LYS QB 1 35 GLN H 2.000 . 6.000 5.706 5.478 5.968 . 0 0 "[ . 1 . 2]" 1
1045 1 93 CYS HG 1 107 ALA H 4.600 . 6.000 3.934 3.233 5.152 . 0 0 "[ . 1 . 2]" 1
1046 1 63 ASP H 1 85 ASP QB 2.800 . 6.000 5.608 5.072 5.926 . 0 0 "[ . 1 . 2]" 1
1047 1 106 MET QG 1 108 GLN H 2.900 . 6.000 5.487 4.283 5.896 . 0 0 "[ . 1 . 2]" 1
1048 1 44 VAL H 1 63 ASP H 4.400 . 6.000 4.626 4.307 5.023 . 0 0 "[ . 1 . 2]" 1
1049 1 41 TYR H 1 63 ASP HB2 6.000 . 6.000 5.664 5.170 6.851 0.851 12 1 "[ . 1 + . 2]" 1
1050 1 63 ASP HB2 1 64 MET H 2.800 . 3.800 2.022 1.718 3.427 0.082 19 0 "[ . 1 . 2]" 1
1051 1 64 MET H 1 64 MET QG 3.100 . 4.300 4.034 3.585 4.172 . 0 0 "[ . 1 . 2]" 1
1052 1 64 MET H 1 66 THR HA 4.300 . 6.000 6.155 6.070 6.358 0.358 12 0 "[ . 1 . 2]" 1
1053 1 64 MET H 1 65 GLY HA2 3.800 . 5.600 4.490 4.440 4.731 . 0 0 "[ . 1 . 2]" 1
1054 1 41 TYR HA 1 64 MET H 3.700 . 5.500 4.899 4.457 5.106 . 0 0 "[ . 1 . 2]" 1
1055 1 64 MET H 1 67 ILE H 3.700 . 5.400 4.337 4.036 4.508 . 0 0 "[ . 1 . 2]" 1
1056 1 64 MET H 1 65 GLY H 2.900 . 4.000 1.743 1.685 2.019 0.115 14 0 "[ . 1 . 2]" 1
1057 1 63 ASP H 1 64 MET H 5.000 . 6.000 3.748 3.513 4.079 . 0 0 "[ . 1 . 2]" 1
1058 1 64 MET H 1 64 MET HB2 2.800 . 3.800 2.672 2.272 2.919 . 0 0 "[ . 1 . 2]" 1
1059 1 41 TYR QD 1 64 MET H 4.200 . 6.000 5.934 5.593 6.075 0.075 7 0 "[ . 1 . 2]" 1
1060 1 32 TRP HZ3 1 64 MET H 4.300 . 6.000 4.750 4.080 5.386 . 0 0 "[ . 1 . 2]" 1
1061 1 42 GLN HA 1 65 GLY H 6.000 . 6.000 5.179 4.753 5.513 . 0 0 "[ . 1 . 2]" 1
1062 1 62 MET HA 1 65 GLY H 4.500 . 6.000 6.205 6.100 6.310 0.310 19 0 "[ . 1 . 2]" 1
1063 1 41 TYR QD 1 65 GLY H 2.800 . 6.000 5.973 5.609 6.063 0.063 9 0 "[ . 1 . 2]" 1
1064 1 115 LEU HG 1 116 GLN H 2.400 . 3.100 2.390 2.173 2.774 . 0 0 "[ . 1 . 2]" 1
1065 1 113 ILE MG 1 116 GLN H 3.800 . 5.600 4.782 4.529 5.091 . 0 0 "[ . 1 . 2]" 1
1066 1 46 ALA MB 1 47 ILE H 3.100 . 4.300 2.678 1.892 3.299 0.008 2 0 "[ . 1 . 2]" 1
1067 1 6 GLU H 1 7 VAL HB 4.000 . 6.000 5.918 5.465 6.063 0.063 6 0 "[ . 1 . 2]" 1
1068 1 120 GLN H 1 120 GLN HG3 2.400 . 3.100 2.660 1.992 3.233 0.133 10 0 "[ . 1 . 2]" 1
1069 1 42 GLN HA 1 64 MET H 6.000 . 6.000 5.990 5.714 6.100 0.100 11 0 "[ . 1 . 2]" 1
1070 1 125 GLU H 1 126 VAL HA 2.600 . 6.000 5.222 4.493 5.656 . 0 0 "[ . 1 . 2]" 1
1071 1 10 PRO HB3 1 12 LYS H 3.200 . 6.000 5.680 5.484 5.922 . 0 0 "[ . 1 . 2]" 1
1072 1 40 PHE HB3 1 64 MET H 3.900 . 6.000 3.822 3.034 4.299 . 0 0 "[ . 1 . 2]" 1
1073 1 17 THR HA 1 17 THR MG 2.300 . 3.000 2.565 2.461 2.665 . 0 0 "[ . 1 . 2]" 1
1074 1 43 PRO HA 1 43 PRO HG2 2.900 . 4.000 3.893 3.865 3.992 . 0 0 "[ . 1 . 2]" 1
1075 1 22 TYR QE 1 83 MET ME 4.000 . 6.000 6.067 5.845 6.187 0.187 19 0 "[ . 1 . 2]" 1
1076 1 83 MET ME 1 121 MET H 2.900 . 6.000 5.752 5.402 6.031 0.031 1 0 "[ . 1 . 2]" 1
1077 1 62 MET HA 1 62 MET ME 2.100 . 2.700 2.630 2.056 2.752 0.052 20 0 "[ . 1 . 2]" 1
1078 1 103 ILE MD 1 103 ILE HG12 2.400 . 3.100 2.110 2.072 2.123 . 0 0 "[ . 1 . 2]" 1
1079 1 103 ILE HB 1 103 ILE MD 2.300 . 3.000 2.231 2.078 2.331 . 0 0 "[ . 1 . 2]" 1
1080 1 103 ILE HA 1 103 ILE MD 2.400 . 3.100 2.484 2.240 2.734 . 0 0 "[ . 1 . 2]" 1
1081 1 40 PHE HB3 1 103 ILE MD 3.500 . 5.000 5.143 4.986 5.733 0.733 18 1 "[ . 1 . + 2]" 1
1082 1 68 LYS HA 1 68 LYS QG 2.800 . 3.700 3.297 3.128 3.397 . 0 0 "[ . 1 . 2]" 1
1083 1 34 HIS HA 1 34 HIS HD2 2.400 . 3.100 2.972 2.749 3.129 0.029 8 0 "[ . 1 . 2]" 1
1084 1 22 TYR HB3 1 22 TYR QD 3.300 . 4.700 2.395 2.372 2.421 . 0 0 "[ . 1 . 2]" 1
1085 1 86 PHE HA 1 86 PHE QD 2.800 . 3.800 2.779 2.519 2.983 . 0 0 "[ . 1 . 2]" 1
1086 1 41 TYR HA 1 41 TYR QD 2.300 . 3.000 1.964 1.768 2.291 . 0 0 "[ . 1 . 2]" 1
1087 1 40 PHE H 1 41 TYR HA 4.600 . 6.000 4.609 4.519 4.811 . 0 0 "[ . 1 . 2]" 1
1088 1 96 TYR HA 1 96 TYR QD 2.400 . 3.100 2.683 1.805 2.998 . 0 0 "[ . 1 . 2]" 1
1089 1 94 TYR HA 1 94 TYR QD 2.200 . 2.800 2.125 1.881 2.659 . 0 0 "[ . 1 . 2]" 1
1090 1 75 TYR HA 1 75 TYR QD 2.500 . 3.300 2.396 1.955 2.811 . 0 0 "[ . 1 . 2]" 1
1091 1 76 TYR HA 1 76 TYR QD 2.700 . 3.600 3.320 2.550 3.661 0.061 13 0 "[ . 1 . 2]" 1
1092 1 55 HIS HB2 1 55 HIS HD2 3.900 . 5.800 2.950 2.678 3.386 . 0 0 "[ . 1 . 2]" 1
1093 1 97 ASN HA 1 97 ASN QB 3.800 . 5.600 2.358 2.268 2.463 . 0 0 "[ . 1 . 2]" 1
1094 1 23 MET H 1 23 MET ME 3.300 . 4.600 4.633 4.408 4.686 0.086 8 0 "[ . 1 . 2]" 1
1095 1 13 PRO HD2 1 13 PRO QG 2.200 . 2.800 2.215 2.180 2.254 . 0 0 "[ . 1 . 2]" 1
1096 1 3 LEU HA 1 3 LEU HB2 2.400 . 3.100 2.708 2.271 2.958 . 0 0 "[ . 1 . 2]" 1
1097 1 3 LEU HA 1 3 LEU HB3 2.600 . 3.400 2.717 2.251 3.022 . 0 0 "[ . 1 . 2]" 1
1098 1 51 LEU HB3 1 54 TYR HB2 2.600 . 3.400 2.122 1.902 2.658 . 0 0 "[ . 1 . 2]" 1
1099 1 5 SER HA 1 5 SER HB2 1.800 . 2.200 2.459 2.255 3.004 0.804 17 2 "[ . - 1 . + 2]" 1
1100 1 20 LEU QD 1 71 LEU HA 3.300 . 4.700 3.248 2.715 3.661 . 0 0 "[ . 1 . 2]" 1
1101 1 116 GLN QG 1 117 LYS HA 3.600 . 6.000 5.308 4.992 5.619 . 0 0 "[ . 1 . 2]" 1
1102 1 127 GLU HA 1 127 GLU HG3 2.200 . 2.800 2.324 2.063 2.552 . 0 0 "[ . 1 . 2]" 1
1103 1 16 LYS H 1 127 GLU HA 4.600 . 6.000 5.773 4.947 6.074 0.074 19 0 "[ . 1 . 2]" 1
1104 1 6 GLU HA 1 6 GLU QB 2.600 . 3.400 2.440 2.165 2.524 . 0 0 "[ . 1 . 2]" 1
1105 1 6 GLU QB 1 8 SER QB 5.500 . 6.000 5.285 4.295 5.803 . 0 0 "[ . 1 . 2]" 1
1106 1 6 GLU HA 1 6 GLU QG 2.600 . 3.400 2.436 2.171 3.345 . 0 0 "[ . 1 . 2]" 1
1107 1 7 VAL HB 1 7 VAL QG 1.800 . 2.200 1.872 1.855 1.884 . 0 0 "[ . 1 . 2]" 1
1108 1 39 PRO HA 1 41 TYR QD 5.000 . 6.000 5.527 5.174 5.784 . 0 0 "[ . 1 . 2]" 1
1109 1 9 ASN HA 1 10 PRO QD 1.700 . 2.200 1.933 1.886 2.004 . 0 0 "[ . 1 . 2]" 1
1110 1 9 ASN HA 1 9 ASN HB2 2.100 . 2.600 2.523 2.454 2.662 0.062 5 0 "[ . 1 . 2]" 1
1111 1 11 SER QB 1 12 LYS HA 2.000 . 6.000 4.035 3.817 4.287 . 0 0 "[ . 1 . 2]" 1
1112 1 12 LYS HA 1 13 PRO HD2 2.100 . 2.600 2.314 1.978 2.625 0.025 13 0 "[ . 1 . 2]" 1
1113 1 12 LYS HB3 1 12 LYS HD2 2.600 . 3.400 2.616 2.092 3.550 0.150 1 0 "[ . 1 . 2]" 1
1114 1 11 SER QB 1 12 LYS HB3 5.200 . 6.000 4.923 4.080 5.343 . 0 0 "[ . 1 . 2]" 1
1115 1 11 SER QB 1 12 LYS HG2 3.400 . 6.000 6.040 5.432 6.310 0.310 2 0 "[ . 1 . 2]" 1
1116 1 12 LYS HA 1 12 LYS HD2 4.300 . 6.000 4.517 4.141 5.113 . 0 0 "[ . 1 . 2]" 1
1117 1 12 LYS HA 1 12 LYS HD3 3.700 . 6.000 4.510 3.692 4.951 . 0 0 "[ . 1 . 2]" 1
1118 1 12 LYS HD2 1 75 TYR QB 5.100 . 6.000 5.638 4.612 6.650 0.650 16 2 "[ . 1 .+ -]" 1
1119 1 12 LYS HD3 1 75 TYR QE 4.600 . 6.000 3.762 2.806 5.423 . 0 0 "[ . 1 . 2]" 1
1120 1 12 LYS HD2 1 75 TYR QE 5.400 . 6.000 3.312 2.431 4.593 . 0 0 "[ . 1 . 2]" 1
1121 1 6 GLU QB 1 12 LYS QE 4.500 . 6.000 4.853 3.865 5.488 . 0 0 "[ . 1 . 2]" 1
1122 1 14 GLY HA3 1 15 ARG HA 3.700 . 5.400 4.557 4.413 4.705 . 0 0 "[ . 1 . 2]" 1
1123 1 14 GLY HA2 1 77 TRP HE3 3.600 . 5.200 4.746 3.658 5.247 0.047 15 0 "[ . 1 . 2]" 1
1124 1 15 ARG HA 1 15 ARG HB3 2.500 . 3.300 2.500 2.307 2.959 . 0 0 "[ . 1 . 2]" 1
1125 1 12 LYS HB2 1 13 PRO HD2 5.400 . 6.000 4.293 3.234 5.169 . 0 0 "[ . 1 . 2]" 1
1126 1 12 LYS HB2 1 12 LYS HD2 2.500 . 3.300 2.971 2.366 3.962 0.662 7 2 "[- . + 1 . 2]" 1
1127 1 16 LYS HA 1 16 LYS QE 3.200 . 4.500 4.400 4.108 4.571 0.071 14 0 "[ . 1 . 2]" 1
1128 1 16 LYS HA 1 20 LEU QD 2.800 . 3.800 2.149 1.917 3.184 . 0 0 "[ . 1 . 2]" 1
1129 1 16 LYS QB 1 128 LEU QD 2.800 . 3.800 3.033 2.098 3.689 . 0 0 "[ . 1 . 2]" 1
1130 1 17 THR HA 1 17 THR HB 2.400 . 3.100 2.315 2.272 2.382 . 0 0 "[ . 1 . 2]" 1
1131 1 17 THR HB 1 127 GLU HB3 3.500 . 5.000 5.008 4.722 5.093 0.093 19 0 "[ . 1 . 2]" 1
1132 1 17 THR HB 1 127 GLU HG2 5.400 . 6.000 4.782 3.904 5.686 . 0 0 "[ . 1 . 2]" 1
1133 1 17 THR HB 1 17 THR MG 2.100 . 2.600 2.097 2.087 2.127 . 0 0 "[ . 1 . 2]" 1
1134 1 18 ASN HA 1 18 ASN HB2 2.300 . 3.000 2.437 2.232 2.608 . 0 0 "[ . 1 . 2]" 1
1135 1 18 ASN HA 1 21 GLN HB2 2.600 . 3.400 3.117 2.786 3.463 0.063 20 0 "[ . 1 . 2]" 1
1136 1 21 GLN HA 1 24 GLN H 4.100 . 6.000 3.622 3.490 3.925 . 0 0 "[ . 1 . 2]" 1
1137 1 21 GLN HA 1 21 GLN QB 2.200 . 2.800 2.461 2.371 2.507 . 0 0 "[ . 1 . 2]" 1
1138 1 21 GLN HB2 1 128 LEU QD 2.400 . 3.100 2.667 2.389 3.105 0.005 7 0 "[ . 1 . 2]" 1
1139 1 22 TYR HA 1 22 TYR HB2 2.600 . 3.400 2.489 2.417 2.539 . 0 0 "[ . 1 . 2]" 1
1140 1 22 TYR HA 1 22 TYR QE 3.500 . 5.000 4.658 4.556 4.774 . 0 0 "[ . 1 . 2]" 1
1141 1 22 TYR HA 1 22 TYR QD 2.300 . 3.000 2.967 2.906 3.025 0.025 5 0 "[ . 1 . 2]" 1
1142 1 22 TYR HA 1 23 MET H 3.000 . 4.100 3.584 3.572 3.597 . 0 0 "[ . 1 . 2]" 1
1143 1 22 TYR HA 1 26 VAL HB 3.100 . 6.000 3.921 3.747 4.030 . 0 0 "[ . 1 . 2]" 1
1144 1 22 TYR HA 1 26 VAL MG2 2.200 . 2.800 2.520 2.329 2.669 . 0 0 "[ . 1 . 2]" 1
1145 1 22 TYR QD 1 23 MET HA 4.300 . 6.000 2.716 2.604 2.847 . 0 0 "[ . 1 . 2]" 1
1146 1 22 TYR QE 1 23 MET HA 4.800 . 6.000 4.116 3.680 4.410 . 0 0 "[ . 1 . 2]" 1
1147 1 23 MET HA 1 27 VAL MG2 2.200 . 2.800 2.021 1.948 2.132 . 0 0 "[ . 1 . 2]" 1
1148 1 23 MET ME 1 27 VAL MG2 2.200 . 6.000 3.398 2.136 4.459 . 0 0 "[ . 1 . 2]" 1
1149 1 23 MET ME 1 86 PHE QD 2.300 . 2.900 2.685 2.171 2.929 0.029 13 0 "[ . 1 . 2]" 1
1150 1 25 ASN HA 1 25 ASN HB3 2.000 . 2.500 2.514 2.486 2.548 0.048 8 0 "[ . 1 . 2]" 1
1151 1 25 ASN HA 1 26 VAL MG1 3.100 . 6.000 6.080 6.065 6.094 0.094 12 0 "[ . 1 . 2]" 1
1152 1 26 VAL HA 1 117 LYS QE 3.300 . 6.000 5.271 4.749 5.937 . 0 0 "[ . 1 . 2]" 1
1153 1 26 VAL HA 1 26 VAL HB 2.600 . 3.400 3.014 3.010 3.018 . 0 0 "[ . 1 . 2]" 1
1154 1 22 TYR QE 1 26 VAL HB 3.600 . 5.200 3.396 3.176 3.661 . 0 0 "[ . 1 . 2]" 1
1155 1 27 VAL HB 1 27 VAL MG2 2.300 . 3.000 2.105 2.090 2.128 . 0 0 "[ . 1 . 2]" 1
1156 1 23 MET HB3 1 27 VAL MG2 3.200 . 4.400 3.762 3.296 4.062 . 0 0 "[ . 1 . 2]" 1
1157 1 27 VAL HA 1 27 VAL MG2 2.600 . 3.500 2.428 2.317 2.488 . 0 0 "[ . 1 . 2]" 1
1158 1 27 VAL MG2 1 29 LYS H 3.700 . 5.400 5.319 5.242 5.413 0.013 14 0 "[ . 1 . 2]" 1
1159 1 25 ASN H 1 27 VAL MG2 5.000 . 6.000 5.635 5.508 5.751 . 0 0 "[ . 1 . 2]" 1
1160 1 22 TYR QD 1 27 VAL HA 4.500 . 6.000 5.943 5.811 6.042 0.042 8 0 "[ . 1 . 2]" 1
1161 1 23 MET HA 1 27 VAL HA 2.500 . 6.000 4.429 4.334 4.585 . 0 0 "[ . 1 . 2]" 1
1162 1 27 VAL HA 1 118 VAL HA 3.600 . 6.000 6.000 5.867 6.071 0.071 17 0 "[ . 1 . 2]" 1
1163 1 22 TYR QE 1 27 VAL HA 3.700 . 5.400 5.380 4.972 5.489 0.089 5 0 "[ . 1 . 2]" 1
1164 1 26 VAL MG1 1 27 VAL HA 3.100 . 4.300 3.190 3.077 3.293 . 0 0 "[ . 1 . 2]" 1
1165 1 23 MET HA 1 26 VAL MG2 2.900 . 4.000 4.134 4.093 4.190 0.190 6 0 "[ . 1 . 2]" 1
1166 1 26 VAL HA 1 26 VAL MG2 2.100 . 2.600 2.307 2.251 2.415 . 0 0 "[ . 1 . 2]" 1
1167 1 25 ASN HB2 1 26 VAL MG2 2.400 . 3.100 3.115 2.962 3.155 0.055 11 0 "[ . 1 . 2]" 1
1168 1 22 TYR QD 1 26 VAL MG2 2.700 . 3.600 2.960 2.744 3.151 . 0 0 "[ . 1 . 2]" 1
1169 1 22 TYR QD 1 26 VAL MG1 3.100 . 4.300 3.611 3.499 3.734 . 0 0 "[ . 1 . 2]" 1
1170 1 23 MET HA 1 26 VAL MG1 2.800 . 3.800 3.900 3.854 3.940 0.140 1 0 "[ . 1 . 2]" 1
1171 1 26 VAL HA 1 26 VAL MG1 2.200 . 2.800 2.349 2.328 2.377 . 0 0 "[ . 1 . 2]" 1
1172 1 22 TYR QE 1 26 VAL MG1 2.600 . 3.500 2.567 2.368 2.868 . 0 0 "[ . 1 . 2]" 1
1173 1 22 TYR HB3 1 26 VAL MG1 3.700 . 5.400 5.416 5.308 5.475 0.075 6 0 "[ . 1 . 2]" 1
1174 1 26 VAL MG1 1 117 LYS QE 2.400 . 6.000 3.487 3.070 4.154 . 0 0 "[ . 1 . 2]" 1
1175 1 26 VAL MG1 1 29 LYS HB2 3.000 . 6.000 5.775 5.279 6.054 0.054 3 0 "[ . 1 . 2]" 1
1176 1 28 VAL HA 1 28 VAL HB 2.900 . 6.000 2.335 2.209 3.017 . 0 0 "[ . 1 . 2]" 1
1177 1 28 VAL HA 1 28 VAL QG 2.500 . 3.300 2.470 2.146 2.632 . 0 0 "[ . 1 . 2]" 1
1178 1 28 VAL HA 1 71 LEU MD1 2.600 . 6.000 5.268 5.016 5.506 . 0 0 "[ . 1 . 2]" 1
1179 1 28 VAL HB 1 86 PHE QE 3.700 . 5.400 2.373 1.936 4.841 0.064 5 0 "[ . 1 . 2]" 1
1180 1 26 VAL HA 1 28 VAL QG 2.700 . 6.000 5.655 5.482 5.834 . 0 0 "[ . 1 . 2]" 1
1181 1 28 VAL QG 1 86 PHE QE 2.200 . 2.800 2.538 1.918 2.753 . 0 0 "[ . 1 . 2]" 1
1182 1 28 VAL QG 1 68 LYS H 4.100 . 5.600 3.780 3.279 4.403 . 0 0 "[ . 1 . 2]" 1
1183 1 30 THR HA 1 30 THR MG 1.900 . 2.400 2.321 2.075 2.419 0.019 14 0 "[ . 1 . 2]" 1
1184 1 30 THR HA 1 33 LYS QG 2.400 . 6.000 3.802 2.694 4.649 . 0 0 "[ . 1 . 2]" 1
1185 1 30 THR HB 1 117 LYS QE 3.100 . 4.300 3.699 2.932 4.169 . 0 0 "[ . 1 . 2]" 1
1186 1 31 LEU HB3 1 90 PHE QE 5.700 . 6.000 6.038 5.873 6.183 0.183 17 0 "[ . 1 . 2]" 1
1187 1 31 LEU HG 1 114 PHE HA 2.500 . 6.000 3.527 3.238 3.926 . 0 0 "[ . 1 . 2]" 1
1188 1 31 LEU HG 1 86 PHE QE 2.500 . 3.300 3.355 3.327 3.391 0.091 5 0 "[ . 1 . 2]" 1
1189 1 31 LEU HG 1 114 PHE H 3.000 . 4.100 3.787 3.497 4.110 0.010 14 0 "[ . 1 . 2]" 1
1190 1 31 LEU HA 1 31 LEU MD2 2.400 . 3.100 1.833 1.776 1.996 . 0 0 "[ . 1 . 2]" 1
1191 1 31 LEU QD 1 33 LYS HB2 2.500 . 6.000 5.642 5.502 5.805 . 0 0 "[ . 1 . 2]" 1
1192 1 32 TRP HA 1 41 TYR QE 2.300 . 3.000 2.526 2.176 2.893 . 0 0 "[ . 1 . 2]" 1
1193 1 32 TRP HA 1 32 TRP HE3 3.300 . 4.700 3.491 3.188 3.686 . 0 0 "[ . 1 . 2]" 1
1194 1 33 LYS HA 1 33 LYS QB 1.900 . 2.300 2.436 2.361 2.504 0.204 10 0 "[ . 1 . 2]" 1
1195 1 33 LYS HA 1 33 LYS QG 2.500 . 3.300 2.277 2.013 2.900 . 0 0 "[ . 1 . 2]" 1
1196 1 33 LYS HD2 1 33 LYS QG 3.000 . 4.100 2.211 2.143 2.450 . 0 0 "[ . 1 . 2]" 1
1197 1 33 LYS HE2 1 33 LYS QG 2.100 . 6.000 2.744 2.086 3.468 . 0 0 "[ . 1 . 2]" 1
1198 1 31 LEU HA 1 32 TRP H 3.500 . 5.100 3.508 3.491 3.532 . 0 0 "[ . 1 . 2]" 1
1199 1 34 HIS HB3 1 37 ALA MB 5.100 . 6.000 2.158 1.852 2.516 . 0 0 "[ . 1 . 2]" 1
1200 1 116 GLN HB2 1 116 GLN QG 2.100 . 2.600 2.186 2.129 2.452 . 0 0 "[ . 1 . 2]" 1
1201 1 36 PHE HA 1 106 MET ME 2.300 . 3.000 2.958 2.591 3.042 0.042 16 0 "[ . 1 . 2]" 1
1202 1 36 PHE HA 1 106 MET HG2 4.200 . 6.000 3.608 2.905 6.240 0.240 6 0 "[ . 1 . 2]" 1
1203 1 36 PHE HA 1 106 MET HB2 5.100 . 6.000 5.293 3.624 5.687 . 0 0 "[ . 1 . 2]" 1
1204 1 32 TRP HA 1 37 ALA MB 3.400 . 4.800 3.183 2.986 3.334 . 0 0 "[ . 1 . 2]" 1
1205 1 37 ALA MB 1 110 LEU MD2 2.800 . 3.800 2.280 2.027 2.458 . 0 0 "[ . 1 . 2]" 1
1206 1 37 ALA MB 1 41 TYR QE 2.300 . 2.900 2.766 2.551 2.917 0.017 14 0 "[ . 1 . 2]" 1
1207 1 38 TRP HB2 1 41 TYR QE 4.600 . 6.000 3.701 3.155 4.730 . 0 0 "[ . 1 . 2]" 1
1208 1 40 PHE HA 1 40 PHE HB3 2.700 . 3.600 2.707 2.475 2.811 . 0 0 "[ . 1 . 2]" 1
1209 1 42 GLN HA 1 43 PRO HD3 2.500 . 3.300 2.247 1.851 2.549 . 0 0 "[ . 1 . 2]" 1
1210 1 42 GLN HA 1 43 PRO HD2 2.500 . 3.300 2.177 1.895 2.517 . 0 0 "[ . 1 . 2]" 1
1211 1 42 GLN HA 1 42 GLN QG 2.400 . 3.100 2.771 2.405 3.112 0.012 3 0 "[ . 1 . 2]" 1
1212 1 42 GLN HA 1 42 GLN HB2 2.300 . 3.000 2.958 2.888 3.021 0.021 1 0 "[ . 1 . 2]" 1
1213 1 43 PRO QG 1 44 VAL QG 4.000 . 6.000 5.417 5.235 5.661 . 0 0 "[ . 1 . 2]" 1
1214 1 44 VAL HA 1 44 VAL HB 2.500 . 3.300 2.997 2.953 3.028 . 0 0 "[ . 1 . 2]" 1
1215 1 44 VAL HA 1 44 VAL QG 2.000 . 2.500 2.103 2.022 2.143 . 0 0 "[ . 1 . 2]" 1
1216 1 44 VAL HA 1 45 ASP HA 4.000 . 6.000 4.371 4.283 4.438 . 0 0 "[ . 1 . 2]" 1
1217 1 44 VAL HB 1 44 VAL QG 2.100 . 2.600 1.874 1.864 1.883 . 0 0 "[ . 1 . 2]" 1
1218 1 44 VAL HB 1 54 TYR QE 3.100 . 4.300 3.990 3.380 4.380 0.080 5 0 "[ . 1 . 2]" 1
1219 1 44 VAL QG 1 54 TYR QE 2.900 . 3.900 2.611 2.057 3.047 . 0 0 "[ . 1 . 2]" 1
1220 1 44 VAL MG1 1 44 VAL MG2 2.000 . 2.500 1.997 1.889 2.065 . 0 0 "[ . 1 . 2]" 1
1221 1 44 VAL QG 1 62 MET HG2 3.300 . 6.000 5.728 5.248 6.740 0.740 20 3 "[ . *1- . +]" 1
1222 1 44 VAL QG 1 61 PRO QD 4.200 . 6.000 4.546 4.327 4.882 . 0 0 "[ . 1 . 2]" 1
1223 1 45 ASP HA 1 45 ASP QB 2.400 . 3.000 2.254 2.150 2.514 . 0 0 "[ . 1 . 2]" 1
1224 1 44 VAL QG 1 45 ASP HA 3.400 . 6.000 3.578 3.161 3.852 . 0 0 "[ . 1 . 2]" 1
1225 1 45 ASP QB 1 48 LYS QB 3.100 . 4.300 2.757 1.819 4.019 0.081 15 0 "[ . 1 . 2]" 1
1226 1 46 ALA HA 1 51 LEU HA 3.600 . 5.200 4.397 4.035 4.798 . 0 0 "[ . 1 . 2]" 1
1227 1 46 ALA HA 1 51 LEU QD 2.500 . 6.000 3.718 3.365 4.114 . 0 0 "[ . 1 . 2]" 1
1228 1 44 VAL QG 1 46 ALA HA 2.700 . 3.600 3.191 2.844 3.631 0.031 19 0 "[ . 1 . 2]" 1
1229 1 46 ALA HA 1 55 HIS HD2 3.900 . 5.800 5.631 4.409 5.857 0.057 6 0 "[ . 1 . 2]" 1
1230 1 44 VAL QG 1 46 ALA MB 2.800 . 3.700 3.485 2.955 3.806 0.106 15 0 "[ . 1 . 2]" 1
1231 1 45 ASP QB 1 46 ALA MB 2.900 . 6.000 4.601 4.264 5.001 . 0 0 "[ . 1 . 2]" 1
1232 1 46 ALA HA 1 46 ALA MB 2.000 . 2.500 2.107 2.080 2.126 . 0 0 "[ . 1 . 2]" 1
1233 1 46 ALA MB 1 55 HIS HD2 2.500 . 3.300 3.117 2.451 3.354 0.054 2 0 "[ . 1 . 2]" 1
1234 1 61 PRO HA 1 61 PRO HB3 3.000 . 4.100 2.298 2.268 2.321 . 0 0 "[ . 1 . 2]" 1
1235 1 58 ILE MG 1 61 PRO HA 2.500 . 3.300 2.387 2.132 2.695 . 0 0 "[ . 1 . 2]" 1
1236 1 47 ILE HA 1 48 LYS H 5.800 . 6.000 3.546 3.490 3.589 . 0 0 "[ . 1 . 2]" 1
1237 1 47 ILE HA 1 47 ILE HG13 2.800 . 3.800 2.914 2.148 3.821 0.021 13 0 "[ . 1 . 2]" 1
1238 1 59 LYS HD2 1 59 LYS HE2 3.800 . 5.600 2.169 2.047 2.354 . 0 0 "[ . 1 . 2]" 1
1239 1 47 ILE HB 1 47 ILE MG 2.000 . 2.500 2.115 2.087 2.129 . 0 0 "[ . 1 . 2]" 1
1240 1 47 ILE MG 1 48 LYS QB 3.400 . 4.800 4.284 3.834 4.555 . 0 0 "[ . 1 . 2]" 1
1241 1 47 ILE MG 1 49 LEU H 5.400 . 6.000 4.955 4.660 5.331 . 0 0 "[ . 1 . 2]" 1
1242 1 48 LYS HA 1 48 LYS QB 2.000 . 2.500 2.356 2.139 2.493 . 0 0 "[ . 1 . 2]" 1
1243 1 59 LYS HA 1 59 LYS HG3 2.400 . 3.100 2.350 2.055 3.765 0.665 17 1 "[ . 1 . + 2]" 1
1244 1 48 LYS HA 1 48 LYS QD 3.200 . 4.500 3.453 1.939 4.327 . 0 0 "[ . 1 . 2]" 1
1245 1 49 LEU HA 1 49 LEU QB 2.400 . 3.100 2.516 2.468 2.538 . 0 0 "[ . 1 . 2]" 1
1246 1 49 LEU HA 1 49 LEU MD1 2.400 . 3.100 2.375 1.798 3.730 0.630 5 2 "[ + 1 - . 2]" 1
1247 1 128 LEU HA 1 128 LEU QD . . 2.300 2.241 2.134 2.323 0.023 16 0 "[ . 1 . 2]" 1
1248 1 16 LYS QE 1 128 LEU QD 2.900 . 3.900 3.247 2.015 3.918 0.018 6 0 "[ . 1 . 2]" 1
1249 1 126 VAL HB 1 128 LEU QD 2.700 . 6.000 3.798 3.015 4.178 . 0 0 "[ . 1 . 2]" 1
1250 1 127 GLU HG2 1 128 LEU QD 2.400 . 6.000 5.200 4.734 5.645 . 0 0 "[ . 1 . 2]" 1
1251 1 17 THR HA 1 128 LEU QD 4.000 . 4.300 3.189 2.908 3.411 . 0 0 "[ . 1 . 2]" 1
1252 1 50 ASN HA 1 50 ASN HB2 2.000 . 2.500 2.590 2.514 2.706 0.206 20 0 "[ . 1 . 2]" 1
1253 1 51 LEU HA 1 52 PRO HD3 2.600 . 3.500 2.865 2.608 3.103 . 0 0 "[ . 1 . 2]" 1
1254 1 51 LEU HA 1 54 TYR HA 2.600 . 6.000 5.644 5.330 5.925 . 0 0 "[ . 1 . 2]" 1
1255 1 51 LEU HA 1 52 PRO QG 3.000 . 4.100 4.092 3.971 4.171 0.071 11 0 "[ . 1 . 2]" 1
1256 1 46 ALA MB 1 51 LEU HA 3.500 . 5.000 4.949 4.689 5.094 0.094 2 0 "[ . 1 . 2]" 1
1257 1 51 LEU HA 1 51 LEU QD 2.400 . 3.100 2.073 1.716 2.571 0.084 11 0 "[ . 1 . 2]" 1
1258 1 55 HIS H 1 56 LYS HG3 3.100 . 6.000 4.518 3.282 5.693 . 0 0 "[ . 1 . 2]" 1
1259 1 49 LEU HA 1 51 LEU QD 3.000 . 6.000 4.095 3.802 4.306 . 0 0 "[ . 1 . 2]" 1
1260 1 46 ALA MB 1 51 LEU QD 2.600 . 6.000 4.556 4.369 4.855 . 0 0 "[ . 1 . 2]" 1
1261 1 44 VAL QG 1 51 LEU QD 2.400 . 3.100 1.995 1.781 2.429 . 0 0 "[ . 1 . 2]" 1
1262 1 23 MET ME 1 27 VAL MG1 3.600 . 5.200 3.362 2.094 4.290 . 0 0 "[ . 1 . 2]" 1
1263 1 46 ALA HA 1 52 PRO HA 3.200 . 4.500 4.116 3.259 4.615 0.115 20 0 "[ . 1 . 2]" 1
1264 1 52 PRO HA 1 52 PRO HB3 2.100 . 2.700 2.311 2.298 2.326 . 0 0 "[ . 1 . 2]" 1
1265 1 54 TYR QE 1 61 PRO HB2 4.100 . 6.000 4.009 2.865 4.721 . 0 0 "[ . 1 . 2]" 1
1266 1 58 ILE MG 1 61 PRO HB2 3.400 . 4.800 4.581 4.134 4.816 0.016 15 0 "[ . 1 . 2]" 1
1267 1 52 PRO HG2 1 53 ASP HA 3.200 . 4.500 4.367 4.179 4.519 0.019 10 0 "[ . 1 . 2]" 1
1268 1 53 ASP HA 1 53 ASP HB2 2.200 . 2.800 2.746 2.281 3.023 0.223 4 0 "[ . 1 . 2]" 1
1269 1 53 ASP HA 1 53 ASP HB3 2.300 . 3.000 2.782 2.426 3.027 0.027 9 0 "[ . 1 . 2]" 1
1270 1 53 ASP HB2 1 56 LYS HB2 3.800 . 5.600 4.984 2.982 5.912 0.312 15 0 "[ . 1 . 2]" 1
1271 1 54 TYR HA 1 54 TYR HB3 3.000 . 4.100 2.977 2.919 3.022 . 0 0 "[ . 1 . 2]" 1
1272 1 54 TYR HA 1 54 TYR HB2 3.000 . 4.200 2.657 2.522 2.774 . 0 0 "[ . 1 . 2]" 1
1273 1 54 TYR HA 1 54 TYR QE 3.600 . 5.200 4.432 4.254 4.643 . 0 0 "[ . 1 . 2]" 1
1274 1 54 TYR HA 1 96 TYR QD 3.100 . 4.300 3.368 2.986 3.793 . 0 0 "[ . 1 . 2]" 1
1275 1 54 TYR HA 1 58 ILE HG12 3.000 . 6.000 3.744 3.142 4.283 . 0 0 "[ . 1 . 2]" 1
1276 1 60 ASN HB3 1 88 THR MG 2.900 . 4.000 2.861 2.096 4.065 0.065 12 0 "[ . 1 . 2]" 1
1277 1 51 LEU HA 1 54 TYR HB2 3.900 . 5.800 3.671 3.116 4.236 . 0 0 "[ . 1 . 2]" 1
1278 1 20 LEU QD 1 76 TYR HA 2.600 . 6.000 4.894 4.150 5.512 . 0 0 "[ . 1 . 2]" 1
1279 1 56 LYS HA 1 56 LYS QE 3.200 . 4.500 4.125 2.493 4.600 0.100 11 0 "[ . 1 . 2]" 1
1280 1 56 LYS HA 1 56 LYS QB 2.000 . 2.500 2.358 2.275 2.442 . 0 0 "[ . 1 . 2]" 1
1281 1 56 LYS QB 1 56 LYS HG3 2.000 . 2.500 2.202 2.127 2.469 . 0 0 "[ . 1 . 2]" 1
1282 1 57 ILE HB 1 96 TYR QE 3.100 . 4.300 3.354 2.735 4.012 . 0 0 "[ . 1 . 2]" 1
1283 1 57 ILE HB 1 96 TYR QD 2.700 . 3.600 2.411 2.051 3.306 . 0 0 "[ . 1 . 2]" 1
1284 1 57 ILE HA 1 57 ILE HB 2.800 . 3.700 3.020 3.005 3.026 . 0 0 "[ . 1 . 2]" 1
1285 1 57 ILE MG 1 58 ILE MD 2.100 . 2.700 2.312 2.092 2.541 . 0 0 "[ . 1 . 2]" 1
1286 1 58 ILE MD 1 95 ILE HB 2.900 . 3.900 2.282 2.075 2.624 . 0 0 "[ . 1 . 2]" 1
1287 1 58 ILE MD 1 96 TYR HB3 2.600 . 6.000 3.535 3.157 3.952 . 0 0 "[ . 1 . 2]" 1
1288 1 57 ILE HA 1 58 ILE MD 2.400 . 6.000 4.605 4.290 4.825 . 0 0 "[ . 1 . 2]" 1
1289 1 58 ILE MD 1 92 ASN HA 2.700 . 3.600 2.486 2.205 2.846 . 0 0 "[ . 1 . 2]" 1
1290 1 54 TYR QE 1 58 ILE MD 3.600 . 5.300 4.282 3.786 4.785 . 0 0 "[ . 1 . 2]" 1
1291 1 17 THR HB 1 128 LEU HA 3.100 . 6.000 6.113 5.997 6.227 0.227 13 0 "[ . 1 . 2]" 1
1292 1 88 THR HB 1 91 THR H 2.800 . 6.000 5.648 5.455 5.920 . 0 0 "[ . 1 . 2]" 1
1293 1 121 MET HA 1 121 MET HB2 2.900 . 6.000 2.930 2.228 3.007 . 0 0 "[ . 1 . 2]" 1
1294 1 121 MET HA 1 122 PRO QD 2.500 . 3.300 2.086 2.014 2.213 . 0 0 "[ . 1 . 2]" 1
1295 1 22 TYR QE 1 121 MET HA 3.000 . 4.100 2.731 2.429 3.261 . 0 0 "[ . 1 . 2]" 1
1296 1 57 ILE MG 1 59 LYS QE 3.100 . 4.300 4.227 3.718 4.348 0.048 12 0 "[ . 1 . 2]" 1
1297 1 57 ILE MG 1 96 TYR QD 2.400 . 3.100 2.807 2.277 3.133 0.033 3 0 "[ . 1 . 2]" 1
1298 1 58 ILE HA 1 58 ILE HB 2.900 . 3.900 3.024 3.020 3.028 . 0 0 "[ . 1 . 2]" 1
1299 1 57 ILE MG 1 58 ILE HA 2.600 . 3.500 3.460 3.158 3.523 0.023 13 0 "[ . 1 . 2]" 1
1300 1 58 ILE HA 1 58 ILE MD 2.400 . 3.100 2.114 1.972 2.304 . 0 0 "[ . 1 . 2]" 1
1301 1 58 ILE HA 1 58 ILE MG 2.300 . 3.000 2.354 2.180 2.513 . 0 0 "[ . 1 . 2]" 1
1302 1 54 TYR QE 1 58 ILE HB 3.900 . 5.800 3.555 2.744 4.791 . 0 0 "[ . 1 . 2]" 1
1303 1 54 TYR QE 1 58 ILE MG 2.900 . 3.900 2.884 2.048 3.930 0.030 19 0 "[ . 1 . 2]" 1
1304 1 54 TYR HA 1 58 ILE MG 3.200 . 6.000 5.310 4.796 5.649 . 0 0 "[ . 1 . 2]" 1
1305 1 58 ILE MG 1 96 TYR HB2 3.100 . 4.300 4.340 4.188 4.403 0.103 3 0 "[ . 1 . 2]" 1
1306 1 58 ILE MG 1 61 PRO HB3 2.800 . 3.800 3.564 3.028 3.840 0.040 14 0 "[ . 1 . 2]" 1
1307 1 60 ASN HA 1 61 PRO HD3 2.100 . 2.600 2.479 2.020 2.866 0.266 5 0 "[ . 1 . 2]" 1
1308 1 60 ASN HA 1 60 ASN HB3 2.300 . 3.000 2.514 2.253 2.828 . 0 0 "[ . 1 . 2]" 1
1309 1 60 ASN HA 1 61 PRO HB3 2.900 . 6.000 5.270 4.980 5.607 . 0 0 "[ . 1 . 2]" 1
1310 1 58 ILE MG 1 60 ASN HA 3.100 . 4.300 3.964 3.809 4.198 . 0 0 "[ . 1 . 2]" 1
1311 1 62 MET ME 1 67 ILE MD 3.300 . 6.000 5.204 3.849 6.032 0.032 13 0 "[ . 1 . 2]" 1
1312 1 62 MET ME 1 66 THR MG 2.400 . 3.100 2.389 2.030 3.112 0.012 20 0 "[ . 1 . 2]" 1
1313 1 62 MET ME 1 67 ILE H 4.100 . 6.000 5.529 4.407 6.012 0.012 4 0 "[ . 1 . 2]" 1
1314 1 63 ASP HA 1 63 ASP HB2 3.000 . 4.100 2.565 2.437 3.034 . 0 0 "[ . 1 . 2]" 1
1315 1 63 ASP HA 1 63 ASP HB3 3.000 . 4.100 2.467 2.356 3.040 . 0 0 "[ . 1 . 2]" 1
1316 1 64 MET HA 1 67 ILE MD 2.700 . 3.600 2.942 2.193 3.683 0.083 17 0 "[ . 1 . 2]" 1
1317 1 64 MET HB3 1 67 ILE MD 4.900 . 6.000 5.427 4.683 6.114 0.114 6 0 "[ . 1 . 2]" 1
1318 1 64 MET HG2 1 67 ILE MD 3.500 . 5.100 4.341 3.059 5.106 0.006 15 0 "[ . 1 . 2]" 1
1319 1 32 TRP HE3 1 64 MET QG 3.500 . 5.000 3.360 2.176 4.370 . 0 0 "[ . 1 . 2]" 1
1320 1 41 TYR QE 1 64 MET ME 2.400 . 3.100 2.670 2.314 3.116 0.016 6 0 "[ . 1 . 2]" 1
1321 1 32 TRP HZ3 1 64 MET ME 4.700 . 6.000 3.825 3.321 4.293 . 0 0 "[ . 1 . 2]" 1
1322 1 32 TRP HE3 1 64 MET ME 2.600 . 3.400 2.803 2.197 3.338 . 0 0 "[ . 1 . 2]" 1
1323 1 64 MET ME 1 110 LEU MD2 3.000 . 6.000 3.557 2.900 4.173 . 0 0 "[ . 1 . 2]" 1
1324 1 66 THR HB 1 67 ILE H 3.200 . 4.400 3.050 2.601 3.387 . 0 0 "[ . 1 . 2]" 1
1325 1 66 THR HB 1 66 THR MG 2.200 . 2.800 2.117 2.087 2.136 . 0 0 "[ . 1 . 2]" 1
1326 1 118 VAL HA 1 118 VAL MG1 2.600 . 3.400 2.506 2.395 2.618 . 0 0 "[ . 1 . 2]" 1
1327 1 67 ILE HA 1 71 LEU H 3.800 . 5.700 4.462 4.088 4.833 . 0 0 "[ . 1 . 2]" 1
1328 1 67 ILE HB 1 67 ILE MD 2.800 . 3.800 2.634 2.188 3.235 . 0 0 "[ . 1 . 2]" 1
1329 1 67 ILE H 1 67 ILE MG 3.200 . 4.500 3.728 3.688 3.763 . 0 0 "[ . 1 . 2]" 1
1330 1 67 ILE MG 1 86 PHE QE 3.700 . 5.400 2.662 2.319 3.097 . 0 0 "[ . 1 . 2]" 1
1331 1 67 ILE MG 1 82 CYS HA 2.800 . 6.000 4.209 3.603 4.575 . 0 0 "[ . 1 . 2]" 1
1332 1 67 ILE MD 1 67 ILE MG 2.300 . 2.900 2.283 1.783 2.988 0.088 12 0 "[ . 1 . 2]" 1
1333 1 70 ARG HA 1 75 TYR QD 3.200 . 4.500 4.452 4.223 4.606 0.106 3 0 "[ . 1 . 2]" 1
1334 1 70 ARG HA 1 73 ASN HB3 3.300 . 4.600 3.487 2.784 4.146 . 0 0 "[ . 1 . 2]" 1
1335 1 7 VAL MG2 1 70 ARG HA 2.700 . 3.600 2.566 2.037 3.182 . 0 0 "[ . 1 . 2]" 1
1336 1 71 LEU HA 1 71 LEU HB3 2.600 . 3.400 2.699 2.628 2.770 . 0 0 "[ . 1 . 2]" 1
1337 1 71 LEU HA 1 71 LEU HG 2.500 . 3.300 2.570 2.465 2.701 . 0 0 "[ . 1 . 2]" 1
1338 1 67 ILE HB 1 71 LEU HB2 3.500 . 6.000 5.892 5.472 6.049 0.049 9 0 "[ . 1 . 2]" 1
1339 1 31 LEU HA 1 31 LEU HG 2.700 . 3.600 3.106 2.921 3.174 . 0 0 "[ . 1 . 2]" 1
1340 1 72 GLU HA 1 72 GLU QG 2.600 . 3.400 3.298 2.460 3.355 . 0 0 "[ . 1 . 2]" 1
1341 1 127 GLU HB3 1 127 GLU HG2 2.600 . 3.500 2.353 2.216 2.523 . 0 0 "[ . 1 . 2]" 1
1342 1 73 ASN HA 1 73 ASN HB3 2.200 . 6.000 2.870 2.650 2.996 . 0 0 "[ . 1 . 2]" 1
1343 1 73 ASN HA 1 73 ASN HB2 2.400 . 3.100 2.794 2.619 2.985 . 0 0 "[ . 1 . 2]" 1
1344 1 74 ASN HA 1 74 ASN HB2 2.200 . 2.800 2.634 2.426 2.898 0.098 19 0 "[ . 1 . 2]" 1
1345 1 20 LEU QD 1 74 ASN HA 5.200 . 6.000 3.083 2.484 3.447 . 0 0 "[ . 1 . 2]" 1
1346 1 74 ASN HA 1 74 ASN HB3 2.400 . 3.100 2.926 2.336 3.030 . 0 0 "[ . 1 . 2]" 1
1347 1 75 TYR HA 1 75 TYR QB 2.400 . 3.100 2.315 2.248 2.414 . 0 0 "[ . 1 . 2]" 1
1348 1 100 THR H 1 101 ASP HB3 5.400 . 6.000 5.245 4.912 5.654 . 0 0 "[ . 1 . 2]" 1
1349 1 76 TYR HA 1 76 TYR QB 3.300 . 4.700 2.193 2.139 2.316 . 0 0 "[ . 1 . 2]" 1
1350 1 75 TYR QD 1 76 TYR HA 3.200 . 4.500 4.233 3.784 4.614 0.114 3 0 "[ . 1 . 2]" 1
1351 1 20 LEU QD 1 76 TYR QB 2.700 . 6.000 3.444 1.919 5.087 . 0 0 "[ . 1 . 2]" 1
1352 1 76 TYR QB 1 76 TYR QE 4.200 . 6.000 3.930 3.898 3.979 . 0 0 "[ . 1 . 2]" 1
1353 1 67 ILE MD 1 85 ASP HA 3.200 . 4.500 3.962 3.308 4.418 . 0 0 "[ . 1 . 2]" 1
1354 1 78 SER HA 1 78 SER QB 2.300 . 3.000 2.324 2.156 2.445 . 0 0 "[ . 1 . 2]" 1
1355 1 78 SER HA 1 79 ALA MB 3.200 . 4.500 4.113 4.025 4.199 . 0 0 "[ . 1 . 2]" 1
1356 1 78 SER QB 1 81 GLU HB3 3.800 . 6.000 5.787 4.936 5.928 . 0 0 "[ . 1 . 2]" 1
1357 1 79 ALA HA 1 82 CYS H 3.300 . 4.700 2.879 2.543 3.119 . 0 0 "[ . 1 . 2]" 1
1358 1 79 ALA HA 1 83 MET ME 2.900 . 6.000 5.397 4.544 6.039 0.039 10 0 "[ . 1 . 2]" 1
1359 1 23 MET HB2 1 79 ALA MB 2.800 . 6.000 2.812 2.055 3.333 . 0 0 "[ . 1 . 2]" 1
1360 1 23 MET HG2 1 79 ALA MB 3.800 . 5.600 3.317 2.444 4.412 . 0 0 "[ . 1 . 2]" 1
1361 1 109 ALA HA 1 109 ALA MB 2.000 . 2.500 2.123 2.087 2.132 . 0 0 "[ . 1 . 2]" 1
1362 1 76 TYR QE 1 82 CYS HA 3.500 . 5.000 3.417 2.726 4.023 . 0 0 "[ . 1 . 2]" 1
1363 1 82 CYS HA 1 82 CYS HB2 2.500 . 3.300 2.677 2.425 3.017 . 0 0 "[ . 1 . 2]" 1
1364 1 82 CYS HB2 1 84 GLN H 2.900 . 6.000 5.456 4.956 5.740 . 0 0 "[ . 1 . 2]" 1
1365 1 83 MET HA 1 86 PHE QB 3.200 . 4.500 2.536 1.964 2.939 . 0 0 "[ . 1 . 2]" 1
1366 1 82 CYS HB3 1 83 MET HA 3.200 . 4.500 4.130 3.951 4.613 0.113 19 0 "[ . 1 . 2]" 1
1367 1 83 MET HA 1 83 MET HG3 2.800 . 3.800 2.559 2.042 3.712 . 0 0 "[ . 1 . 2]" 1
1368 1 76 TYR QE 1 81 GLU HB2 3.800 . 5.600 4.922 3.934 5.591 . 0 0 "[ . 1 . 2]" 1
1369 1 84 GLN HA 1 87 ASN HB3 2.400 . 3.100 2.832 2.359 3.148 0.048 16 0 "[ . 1 . 2]" 1
1370 1 35 GLN HA 1 35 GLN QB 2.100 . 2.700 2.482 2.403 2.534 . 0 0 "[ . 1 . 2]" 1
1371 1 84 GLN HA 1 85 ASP QB 2.200 . 6.000 5.476 5.197 5.632 . 0 0 "[ . 1 . 2]" 1
1372 1 84 GLN HA 1 87 ASN H 4.100 . 6.000 3.653 3.447 3.929 . 0 0 "[ . 1 . 2]" 1
1373 1 85 ASP HA 1 85 ASP QB 3.200 . 4.500 2.344 2.143 2.532 . 0 0 "[ . 1 . 2]" 1
1374 1 86 PHE HA 1 86 PHE QB 3.000 . 4.100 2.537 2.513 2.543 . 0 0 "[ . 1 . 2]" 1
1375 1 31 LEU MD1 1 86 PHE HA 3.000 . 6.000 5.412 5.229 5.600 . 0 0 "[ . 1 . 2]" 1
1376 1 67 ILE MD 1 86 PHE HA 2.600 . 3.500 2.517 1.836 3.503 0.003 4 0 "[ . 1 . 2]" 1
1377 1 85 ASP QB 1 86 PHE QB 4.600 . 6.000 4.183 3.784 4.847 . 0 0 "[ . 1 . 2]" 1
1378 1 87 ASN HA 1 87 ASN HB2 2.100 . 2.600 2.392 2.246 2.566 . 0 0 "[ . 1 . 2]" 1
1379 1 87 ASN HD22 1 88 THR HA 4.000 . 6.000 4.374 3.561 6.111 0.111 3 0 "[ . 1 . 2]" 1
1380 1 104 VAL HA 1 107 ALA MB 2.700 . 3.600 2.330 2.111 2.693 . 0 0 "[ . 1 . 2]" 1
1381 1 88 THR HA 1 88 THR MG 2.300 . 3.000 2.364 2.291 2.514 . 0 0 "[ . 1 . 2]" 1
1382 1 88 THR HA 1 88 THR HB 2.300 . 3.000 3.020 3.016 3.024 0.024 15 0 "[ . 1 . 2]" 1
1383 1 88 THR HB 1 92 ASN HB2 3.600 . 6.000 5.845 5.511 6.197 0.197 3 0 "[ . 1 . 2]" 1
1384 1 89 MET HA 1 89 MET QG 3.100 . 4.300 2.902 2.593 3.427 . 0 0 "[ . 1 . 2]" 1
1385 1 89 MET HA 1 89 MET QB 3.200 . 4.500 2.209 2.147 2.274 . 0 0 "[ . 1 . 2]" 1
1386 1 62 MET HB2 1 89 MET HA 2.600 . 3.500 3.311 2.930 3.975 0.475 16 0 "[ . 1 . 2]" 1
1387 1 67 ILE MG 1 89 MET QB 4.200 . 6.000 4.908 4.526 5.141 . 0 0 "[ . 1 . 2]" 1
1388 1 58 ILE MD 1 92 ASN HB2 3.500 . 5.000 3.975 3.003 5.002 0.002 5 0 "[ . 1 . 2]" 1
1389 1 91 THR HA 1 91 THR MG 2.300 . 2.900 2.139 1.975 2.319 . 0 0 "[ . 1 . 2]" 1
1390 1 92 ASN HA 1 92 ASN HB3 2.800 . 6.000 2.802 2.622 2.977 . 0 0 "[ . 1 . 2]" 1
1391 1 58 ILE MG 1 92 ASN HB3 4.000 . 6.000 3.500 2.870 3.981 . 0 0 "[ . 1 . 2]" 1
1392 1 93 CYS HB2 1 94 TYR QD 3.900 . 5.800 5.391 4.152 5.821 0.021 2 0 "[ . 1 . 2]" 1
1393 1 94 TYR HA 1 104 VAL HA 3.600 . 5.200 4.711 4.136 5.205 0.005 12 0 "[ . 1 . 2]" 1
1394 1 95 ILE HA 1 95 ILE HB 2.700 . 3.600 3.017 3.011 3.022 . 0 0 "[ . 1 . 2]" 1
1395 1 92 ASN HA 1 95 ILE HB 2.700 . 3.600 3.035 2.722 3.440 . 0 0 "[ . 1 . 2]" 1
1396 1 95 ILE HA 1 95 ILE HG13 2.600 . 3.500 2.798 2.668 2.895 . 0 0 "[ . 1 . 2]" 1
1397 1 108 GLN HA 1 108 GLN HB3 2.800 . 3.700 2.760 2.225 3.016 . 0 0 "[ . 1 . 2]" 1
1398 1 95 ILE MG 1 96 TYR QD 3.400 . 4.900 4.476 3.714 4.925 0.025 12 0 "[ . 1 . 2]" 1
1399 1 34 HIS HA 1 113 ILE MD 3.000 . 4.100 3.927 3.690 4.136 0.036 14 0 "[ . 1 . 2]" 1
1400 1 110 LEU HA 1 113 ILE MD 2.700 . 3.600 2.854 2.145 3.525 . 0 0 "[ . 1 . 2]" 1
1401 1 57 ILE MG 1 96 TYR HA 2.100 . 6.000 2.969 2.261 3.827 . 0 0 "[ . 1 . 2]" 1
1402 1 97 ASN HA 1 103 ILE MG 3.300 . 4.600 4.575 4.161 4.711 0.111 11 0 "[ . 1 . 2]" 1
1403 1 123 GLN HA 1 124 GLU HA 2.300 . 6.000 4.583 4.412 4.793 . 0 0 "[ . 1 . 2]" 1
1404 1 25 ASN HA 1 29 LYS QG 2.600 . 3.400 2.828 2.122 3.317 . 0 0 "[ . 1 . 2]" 1
1405 1 99 PRO HA 1 99 PRO HB3 2.500 . 3.300 2.290 2.269 2.300 . 0 0 "[ . 1 . 2]" 1
1406 1 99 PRO HA 1 104 VAL MG1 2.200 . 2.800 2.266 1.898 2.851 0.051 17 0 "[ . 1 . 2]" 1
1407 1 10 PRO HB3 1 10 PRO HD3 2.900 . 4.000 2.791 2.705 2.837 . 0 0 "[ . 1 . 2]" 1
1408 1 100 THR HA 1 100 THR MG 1.800 . 2.200 2.120 2.012 2.181 . 0 0 "[ . 1 . 2]" 1
1409 1 100 THR HB 1 100 THR MG 1.900 . 2.300 2.127 2.100 2.136 . 0 0 "[ . 1 . 2]" 1
1410 1 102 ASP HA 1 105 LEU HB2 3.300 . 4.600 2.600 2.256 2.943 . 0 0 "[ . 1 . 2]" 1
1411 1 102 ASP HA 1 105 LEU MD1 2.300 . 2.900 2.866 2.600 2.937 0.037 20 0 "[ . 1 . 2]" 1
1412 1 103 ILE HA 1 103 ILE HG12 3.800 . 5.600 3.814 3.757 3.891 . 0 0 "[ . 1 . 2]" 1
1413 1 103 ILE HA 1 103 ILE HB 2.900 . 4.000 2.404 2.348 2.444 . 0 0 "[ . 1 . 2]" 1
1414 1 40 PHE QE 1 103 ILE MD 3.000 . 4.100 2.641 2.175 2.974 . 0 0 "[ . 1 . 2]" 1
1415 1 93 CYS HA 1 103 ILE HG12 4.300 . 6.000 4.268 4.041 4.650 . 0 0 "[ . 1 . 2]" 1
1416 1 103 ILE HA 1 103 ILE MG 3.000 . 6.000 3.200 3.184 3.216 . 0 0 "[ . 1 . 2]" 1
1417 1 91 THR HA 1 94 TYR QD 2.300 . 3.000 2.388 1.963 3.053 0.053 10 0 "[ . 1 . 2]" 1
1418 1 99 PRO HA 1 104 VAL MG2 3.200 . 6.000 2.826 2.285 3.354 . 0 0 "[ . 1 . 2]" 1
1419 1 94 TYR HA 1 104 VAL MG2 3.200 . 6.000 2.359 2.098 2.616 . 0 0 "[ . 1 . 2]" 1
1420 1 104 VAL HA 1 104 VAL MG2 2.300 . 3.000 2.110 2.020 2.236 . 0 0 "[ . 1 . 2]" 1
1421 1 97 ASN QB 1 104 VAL MG2 2.400 . 3.100 2.250 1.943 2.606 . 0 0 "[ . 1 . 2]" 1
1422 1 104 VAL HA 1 104 VAL MG1 2.500 . 3.300 2.710 2.588 2.831 . 0 0 "[ . 1 . 2]" 1
1423 1 104 VAL HB 1 104 VAL MG1 2.400 . 3.100 2.094 2.085 2.100 . 0 0 "[ . 1 . 2]" 1
1424 1 97 ASN QB 1 104 VAL MG1 3.600 . 5.200 4.567 4.216 4.948 . 0 0 "[ . 1 . 2]" 1
1425 1 105 LEU HA 1 105 LEU HB2 2.600 . 3.400 2.895 2.816 2.952 . 0 0 "[ . 1 . 2]" 1
1426 1 105 LEU HA 1 105 LEU HB3 2.600 . 3.400 2.795 2.721 2.887 . 0 0 "[ . 1 . 2]" 1
1427 1 58 ILE HG13 1 95 ILE H 3.100 . 6.000 5.888 5.627 6.061 0.061 5 0 "[ . 1 . 2]" 1
1428 1 105 LEU HA 1 105 LEU MD2 2.200 . 2.800 2.565 2.268 2.810 0.010 7 0 "[ . 1 . 2]" 1
1429 1 106 MET HA 1 106 MET QG 2.500 . 3.300 2.537 2.351 3.345 0.045 6 0 "[ . 1 . 2]" 1
1430 1 104 VAL MG1 1 106 MET HA 3.400 . 6.000 6.193 6.136 6.224 0.224 4 0 "[ . 1 . 2]" 1
1431 1 36 PHE HA 1 106 MET HA 3.800 . 5.600 5.345 4.944 5.729 0.129 6 0 "[ . 1 . 2]" 1
1432 1 38 TRP HD1 1 106 MET ME 2.700 . 3.600 3.418 3.076 3.618 0.018 10 0 "[ . 1 . 2]" 1
1433 1 105 LEU MD2 1 106 MET ME 3.200 . 6.000 5.914 5.598 6.050 0.050 17 0 "[ . 1 . 2]" 1
1434 1 90 PHE QE 1 107 ALA HA 3.000 . 4.200 2.620 2.415 3.056 . 0 0 "[ . 1 . 2]" 1
1435 1 90 PHE QD 1 107 ALA HA 4.100 . 6.000 3.617 3.186 4.059 . 0 0 "[ . 1 . 2]" 1
1436 1 107 ALA HA 1 110 LEU H 4.400 . 6.000 3.340 3.109 3.477 . 0 0 "[ . 1 . 2]" 1
1437 1 94 TYR QE 1 107 ALA MB 2.100 . 2.600 2.523 2.190 2.689 0.089 12 0 "[ . 1 . 2]" 1
1438 1 107 ALA MB 1 108 GLN HE21 2.700 . 6.000 4.935 3.759 6.030 0.030 14 0 "[ . 1 . 2]" 1
1439 1 106 MET HA 1 108 GLN HB2 3.000 . 6.000 5.206 4.661 6.147 0.147 20 0 "[ . 1 . 2]" 1
1440 1 116 GLN HA 1 116 GLN HB2 2.800 . 3.800 2.834 2.762 2.903 . 0 0 "[ . 1 . 2]" 1
1441 1 109 ALA HA 1 110 LEU H 2.900 . 3.900 3.507 3.493 3.529 . 0 0 "[ . 1 . 2]" 1
1442 1 110 LEU H 1 110 LEU HA 2.700 . 3.600 2.796 2.781 2.821 . 0 0 "[ . 1 . 2]" 1
1443 1 90 PHE QE 1 110 LEU HA 3.700 . 5.400 4.639 4.463 4.875 . 0 0 "[ . 1 . 2]" 1
1444 1 110 LEU HA 1 110 LEU MD1 3.000 . 4.100 2.240 2.063 2.520 . 0 0 "[ . 1 . 2]" 1
1445 1 110 LEU H 1 110 LEU HB2 3.800 . 5.600 2.148 2.116 2.187 . 0 0 "[ . 1 . 2]" 1
1446 1 110 LEU HB2 1 111 GLU H 4.200 . 6.000 2.738 2.657 2.820 . 0 0 "[ . 1 . 2]" 1
1447 1 90 PHE QE 1 110 LEU HB2 3.500 . 5.000 2.421 2.254 2.594 . 0 0 "[ . 1 . 2]" 1
1448 1 90 PHE QE 1 110 LEU HB3 3.300 . 4.700 2.326 2.065 2.624 . 0 0 "[ . 1 . 2]" 1
1449 1 110 LEU HB3 1 111 GLU H 5.300 . 6.000 3.194 3.070 3.278 . 0 0 "[ . 1 . 2]" 1
1450 1 37 ALA HA 1 110 LEU HG 2.700 . 3.600 3.459 3.343 3.605 0.005 9 0 "[ . 1 . 2]" 1
1451 1 90 PHE QE 1 110 LEU HG 3.600 . 5.200 4.360 4.008 4.725 . 0 0 "[ . 1 . 2]" 1
1452 1 109 ALA MB 1 110 LEU HG 2.300 . 6.000 5.252 4.969 5.357 . 0 0 "[ . 1 . 2]" 1
1453 1 34 HIS QB 1 110 LEU MD1 2.500 . 3.300 2.709 2.544 3.024 . 0 0 "[ . 1 . 2]" 1
1454 1 37 ALA HA 1 110 LEU MD2 2.600 . 3.500 2.076 1.969 2.234 . 0 0 "[ . 1 . 2]" 1
1455 1 90 PHE QE 1 110 LEU MD2 3.400 . 4.800 2.815 2.537 3.135 . 0 0 "[ . 1 . 2]" 1
1456 1 94 TYR QE 1 110 LEU QD 3.300 . 6.000 5.959 5.651 6.072 0.072 12 0 "[ . 1 . 2]" 1
1457 1 109 ALA MB 1 110 LEU MD1 2.600 . 3.400 2.762 2.641 2.927 . 0 0 "[ . 1 . 2]" 1
1458 1 31 LEU HG 1 111 GLU HA 3.400 . 4.800 4.843 4.531 4.907 0.107 18 0 "[ . 1 . 2]" 1
1459 1 111 GLU HA 1 115 LEU MD2 3.000 . 6.000 4.190 3.808 4.473 . 0 0 "[ . 1 . 2]" 1
1460 1 90 PHE QE 1 111 GLU HA 3.400 . 4.800 3.059 2.798 3.197 . 0 0 "[ . 1 . 2]" 1
1461 1 112 LYS HA 1 115 LEU HG 2.500 . 3.300 2.897 2.517 3.319 0.019 7 0 "[ . 1 . 2]" 1
1462 1 112 LYS QD 1 112 LYS HE2 1.700 . 2.200 2.219 2.053 2.368 0.168 15 0 "[ . 1 . 2]" 1
1463 1 113 ILE HA 1 116 GLN HB2 3.100 . 6.000 2.096 1.870 2.407 . 0 0 "[ . 1 . 2]" 1
1464 1 113 ILE HB 1 113 ILE MG 2.100 . 2.600 2.114 2.085 2.129 . 0 0 "[ . 1 . 2]" 1
1465 1 113 ILE MG 1 117 LYS QE 3.500 . 5.000 3.303 2.538 4.600 . 0 0 "[ . 1 . 2]" 1
1466 1 114 PHE QD 1 115 LEU HA 3.700 . 5.400 3.944 3.668 4.179 . 0 0 "[ . 1 . 2]" 1
1467 1 115 LEU HA 1 115 LEU HB2 2.600 . 3.400 2.487 2.325 2.675 . 0 0 "[ . 1 . 2]" 1
1468 1 115 LEU HA 1 118 VAL MG2 2.400 . 3.100 2.892 2.184 3.120 0.020 11 0 "[ . 1 . 2]" 1
1469 1 115 LEU HB2 1 115 LEU HG 2.400 . 3.100 2.919 2.820 2.943 . 0 0 "[ . 1 . 2]" 1
1470 1 58 ILE HG13 1 92 ASN HA 2.800 . 3.800 3.820 3.643 3.879 0.079 3 0 "[ . 1 . 2]" 1
1471 1 114 PHE QD 1 115 LEU MD2 4.600 . 6.000 3.685 2.822 4.321 . 0 0 "[ . 1 . 2]" 1
1472 1 116 GLN HA 1 116 GLN HB3 2.400 . 3.100 2.860 2.803 2.917 . 0 0 "[ . 1 . 2]" 1
1473 1 26 VAL MG1 1 117 LYS QD 2.900 . 4.000 3.516 1.878 4.043 0.043 17 0 "[ . 1 . 2]" 1
1474 1 118 VAL HA 1 118 VAL HB 2.400 . 3.100 3.018 3.006 3.029 . 0 0 "[ . 1 . 2]" 1
1475 1 118 VAL HB 1 118 VAL MG1 2.300 . 2.900 2.124 2.110 2.131 . 0 0 "[ . 1 . 2]" 1
1476 1 22 TYR QE 1 26 VAL MG2 2.500 . 3.300 3.041 2.850 3.181 . 0 0 "[ . 1 . 2]" 1
1477 1 118 VAL HA 1 118 VAL MG2 2.300 . 2.900 2.237 2.155 2.329 . 0 0 "[ . 1 . 2]" 1
1478 1 114 PHE QE 1 118 VAL MG2 3.000 . 4.100 2.812 2.611 2.949 . 0 0 "[ . 1 . 2]" 1
1479 1 22 TYR QE 1 118 VAL MG2 3.000 . 6.000 5.012 4.063 5.634 . 0 0 "[ . 1 . 2]" 1
1480 1 118 VAL HB 1 118 VAL MG2 2.100 . 2.600 2.118 2.106 2.128 . 0 0 "[ . 1 . 2]" 1
1481 1 116 GLN HB2 1 118 VAL MG2 2.800 . 6.000 6.047 5.840 6.094 0.094 3 0 "[ . 1 . 2]" 1
1482 1 119 ALA HA 1 119 ALA MB 1.800 . 2.200 2.114 2.086 2.131 . 0 0 "[ . 1 . 2]" 1
1483 1 118 VAL MG1 1 119 ALA HA 2.800 . 3.800 3.400 3.259 3.517 . 0 0 "[ . 1 . 2]" 1
1484 1 120 GLN HA 1 120 GLN HB2 2.700 . 3.600 3.001 2.972 3.019 . 0 0 "[ . 1 . 2]" 1
1485 1 120 GLN HA 1 120 GLN HB3 2.600 . 3.400 2.353 2.294 2.417 . 0 0 "[ . 1 . 2]" 1
1486 1 120 GLN HA 1 120 GLN HG2 2.600 . 3.400 2.734 2.575 3.130 . 0 0 "[ . 1 . 2]" 1
1487 1 120 GLN HA 1 120 GLN HG3 2.400 . 6.000 3.654 3.349 3.994 . 0 0 "[ . 1 . 2]" 1
1488 1 22 TYR QE 1 121 MET HB2 3.300 . 4.700 4.264 2.574 4.707 0.007 3 0 "[ . 1 . 2]" 1
1489 1 22 TYR QE 1 121 MET HB3 3.800 . 5.600 4.463 3.010 4.852 . 0 0 "[ . 1 . 2]" 1
1490 1 118 VAL HA 1 121 MET HB2 3.300 . 4.700 3.027 2.486 3.823 . 0 0 "[ . 1 . 2]" 1
1491 1 126 VAL HB 1 126 VAL MG2 1.900 . 2.300 2.109 2.086 2.132 . 0 0 "[ . 1 . 2]" 1
1492 1 22 TYR QD 1 121 MET HG2 3.500 . 5.000 2.651 2.127 5.528 0.528 8 1 "[ . + 1 . 2]" 1
1493 1 19 GLN HA 1 121 MET HG3 3.400 . 6.000 6.034 4.031 6.592 0.592 10 2 "[ . + -. 2]" 1
1494 1 120 GLN H 1 121 MET ME 2.900 . 6.000 5.953 5.208 6.079 0.079 14 0 "[ . 1 . 2]" 1
1495 1 22 TYR QD 1 121 MET ME 3.000 . 4.100 3.828 2.476 4.188 0.088 14 0 "[ . 1 . 2]" 1
1496 1 118 VAL MG2 1 121 MET ME 2.300 . 6.000 3.061 2.052 3.693 . 0 0 "[ . 1 . 2]" 1
1497 1 118 VAL MG1 1 121 MET ME 2.100 . 2.700 2.706 2.379 2.785 0.085 4 0 "[ . 1 . 2]" 1
1498 1 122 PRO HA 1 122 PRO HB3 2.100 . 2.700 2.322 2.289 2.361 . 0 0 "[ . 1 . 2]" 1
1499 1 123 GLN HA 1 123 GLN HG2 2.200 . 2.800 2.808 2.037 3.610 0.810 16 4 "[- . * 1 * .+ 2]" 1
1500 1 123 GLN HA 1 124 GLU HG2 2.300 . 6.000 5.705 4.372 6.235 0.235 13 0 "[ . 1 . 2]" 1
1501 1 123 GLN HA 1 124 GLU HB2 2.100 . 6.000 5.613 5.413 5.889 . 0 0 "[ . 1 . 2]" 1
1502 1 123 GLN HA 1 123 GLN HB2 2.400 . 3.100 2.916 2.676 3.012 . 0 0 "[ . 1 . 2]" 1
1503 1 21 GLN HG3 1 128 LEU QD 2.400 . 6.000 2.568 2.068 3.293 . 0 0 "[ . 1 . 2]" 1
1504 1 124 GLU HA 1 124 GLU HG2 3.300 . 4.600 2.934 2.318 3.590 . 0 0 "[ . 1 . 2]" 1
1505 1 124 GLU HA 1 124 GLU HB2 2.300 . 3.000 2.997 2.958 3.021 0.021 7 0 "[ . 1 . 2]" 1
1506 1 122 PRO HG2 1 125 GLU HA 2.700 . 3.600 3.694 3.596 3.813 0.213 2 0 "[ . 1 . 2]" 1
1507 1 125 GLU HA 1 125 GLU QG 4.800 . 6.000 2.588 2.140 3.102 . 0 0 "[ . 1 . 2]" 1
1508 1 126 VAL HA 1 126 VAL MG1 1.800 . 2.200 2.179 1.971 2.249 0.049 18 0 "[ . 1 . 2]" 1
1509 1 126 VAL HA 1 126 VAL MG2 2.200 . 2.800 2.602 2.412 2.991 0.191 13 0 "[ . 1 . 2]" 1
1510 1 17 THR HA 1 127 GLU HA 2.400 . 3.100 2.002 1.826 2.189 . 0 0 "[ . 1 . 2]" 1
1511 1 127 GLU HB3 1 128 LEU HA 3.500 . 5.000 4.664 4.421 4.957 . 0 0 "[ . 1 . 2]" 1
1512 1 17 THR MG 1 127 GLU HG3 3.200 . 4.500 2.140 1.769 3.398 0.131 19 0 "[ . 1 . 2]" 1
1513 1 16 LYS QB 1 127 GLU HG3 3.600 . 5.200 5.476 4.610 6.079 0.879 17 8 "[ * .** 1** - + *2]" 1
1514 1 128 LEU HA 1 128 LEU HB2 2.400 . 3.100 3.013 2.989 3.020 . 0 0 "[ . 1 . 2]" 1
1515 1 128 LEU HA 1 128 LEU HB3 2.500 . 3.300 2.443 2.341 2.527 . 0 0 "[ . 1 . 2]" 1
1516 1 128 LEU HA 1 128 LEU HG 2.400 . 3.100 3.013 2.896 3.149 0.049 16 0 "[ . 1 . 2]" 1
1517 1 17 THR HA 1 128 LEU HG 2.700 . 3.600 2.571 2.130 2.855 . 0 0 "[ . 1 . 2]" 1
1518 1 128 LEU QD 1 128 LEU HG 2.200 . 2.800 1.872 1.850 1.888 . 0 0 "[ . 1 . 2]" 1
1519 1 69 LYS H 1 69 LYS HG2 3.700 . 5.400 4.384 2.921 4.671 . 0 0 "[ . 1 . 2]" 1
1520 1 18 ASN HB2 1 128 LEU QD 2.900 . 4.000 2.473 2.130 2.887 . 0 0 "[ . 1 . 2]" 1
1521 1 18 ASN HB3 1 128 LEU QD 2.900 . 4.000 3.568 2.769 3.964 . 0 0 "[ . 1 . 2]" 1
1522 1 30 THR HB 1 117 LYS QD 2.100 . 2.700 2.654 2.358 2.741 0.041 20 0 "[ . 1 . 2]" 1
1523 1 126 VAL HB 1 126 VAL MG1 2.000 . 2.500 2.106 2.081 2.125 . 0 0 "[ . 1 . 2]" 1
1524 1 44 VAL QG 1 51 LEU HB2 2.700 . 3.600 2.955 2.488 3.463 . 0 0 "[ . 1 . 2]" 1
1525 1 18 ASN HA 1 18 ASN HB3 2.300 . 6.000 2.970 2.730 3.029 . 0 0 "[ . 1 . 2]" 1
1526 1 60 ASN HA 1 60 ASN HB2 2.300 . 3.000 2.903 2.694 3.025 0.025 20 0 "[ . 1 . 2]" 1
1527 1 51 LEU QD 1 54 TYR QE 4.100 . 6.000 3.278 2.559 4.205 . 0 0 "[ . 1 . 2]" 1
1528 1 58 ILE MD 1 58 ILE MG 2.300 . 6.000 2.044 1.823 2.205 . 0 0 "[ . 1 . 2]" 1
1529 1 36 PHE QD 1 109 ALA MB 2.800 . 3.800 2.811 2.391 3.516 . 0 0 "[ . 1 . 2]" 1
1530 1 21 GLN HA 1 128 LEU QD 2.400 . 6.000 4.840 4.567 5.374 . 0 0 "[ . 1 . 2]" 1
1531 1 44 VAL QG 1 63 ASP HB3 5.700 . 6.000 3.255 2.342 4.725 . 0 0 "[ . 1 . 2]" 1
1532 1 36 PHE HA 1 36 PHE QD 2.700 . 6.000 1.995 1.797 2.437 . 0 0 "[ . 1 . 2]" 1
1533 1 58 ILE HB 1 61 PRO HA 2.900 . 3.900 3.874 3.637 3.955 0.055 12 0 "[ . 1 . 2]" 1
1534 1 44 VAL HA 1 49 LEU MD1 2.400 . 6.000 4.594 2.658 5.577 . 0 0 "[ . 1 . 2]" 1
1535 1 44 VAL HA 1 49 LEU HG 3.500 . 6.000 5.089 3.757 6.024 0.024 1 0 "[ . 1 . 2]" 1
1536 1 98 LYS HA 1 104 VAL MG2 4.500 . 6.000 4.270 3.618 4.678 . 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 4
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 4.745
_Distance_constraint_stats_list.Viol_max 0.090
_Distance_constraint_stats_list.Viol_rms 0.0131
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0395
_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
1 101 ASP 0.074 0.051 19 0 "[ . 1 . 2]"
1 102 ASP 0.090 0.090 18 0 "[ . 1 . 2]"
1 103 ILE 0.073 0.053 19 0 "[ . 1 . 2]"
2 6 GLY 0.074 0.051 19 0 "[ . 1 . 2]"
2 7 LYS 0.163 0.090 18 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 1 101 ASP QB 2 6 GLY H 5.000 . 6.000 5.299 4.208 6.051 0.051 19 0 "[ . 1 . 2]" 2
2 1 102 ASP HB3 2 7 LYS HA 5.000 . 6.000 4.023 2.725 6.090 0.090 18 0 "[ . 1 . 2]" 2
3 1 102 ASP HB2 2 7 LYS HA 5.000 . 6.000 2.841 1.898 4.959 . 0 0 "[ . 1 . 2]" 2
4 1 103 ILE MG 2 7 LYS HA 5.000 . 6.000 5.391 4.076 6.053 0.053 19 0 "[ . 1 . 2]" 2
stop_
save_
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