NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520714 |
2lfp   |
17768 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lfp
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 1050
_Distance_constraint_stats_list.Viol_count 1111
_Distance_constraint_stats_list.Viol_total 2333.885
_Distance_constraint_stats_list.Viol_max 1.950
_Distance_constraint_stats_list.Viol_rms 0.0468
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.1050
_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 6 TRP 1.525 0.467 20 0 "[ . 1 . 2]"
1 9 ALA 1.979 0.467 20 0 "[ . 1 . 2]"
1 10 SER 2.907 0.710 7 4 "[ . +- 1 * . * 2]"
1 11 ARG 2.796 0.225 1 0 "[ . 1 . 2]"
1 12 ALA 5.764 0.898 14 7 "[ . * ** +- **]"
1 13 LEU 5.027 0.767 13 1 "[ . 1 + . 2]"
1 14 GLN 1.739 0.126 15 0 "[ . 1 . 2]"
1 15 LYS 2.016 0.122 13 0 "[ . 1 . 2]"
1 16 ALA 1.159 0.090 11 0 "[ . 1 . 2]"
1 17 THR 3.842 0.201 19 0 "[ . 1 . 2]"
1 18 VAL 3.874 0.510 13 1 "[ . 1 + . 2]"
1 19 GLU 3.685 0.510 13 1 "[ . 1 + . 2]"
1 20 ASN 7.418 0.650 12 2 "[ . - + . 2]"
1 21 LEU 3.995 0.510 13 1 "[ . 1 + . 2]"
1 22 GLU 1.098 0.166 7 0 "[ . 1 . 2]"
1 23 SER 4.547 0.650 12 2 "[ . - + . 2]"
1 24 TYR 1.485 0.166 7 0 "[ . 1 . 2]"
1 25 GLN 0.751 0.096 15 0 "[ . 1 . 2]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 6.174 0.957 10 3 "[ . + * .* 2]"
1 28 MET 6.223 1.950 12 3 "[ . * 1 + . - 2]"
1 29 GLU 5.928 1.950 12 3 "[ . * 1 + . - 2]"
1 30 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 7.565 0.957 10 2 "[ . + .- 2]"
1 32 ASN 3.689 0.831 12 2 "[ . - 1 + . 2]"
1 33 GLN 3.763 0.957 10 2 "[ . + .- 2]"
1 34 VAL 3.650 0.905 8 3 "[- . + 1 . * 2]"
1 35 THR 4.207 0.905 8 3 "[- . + 1 . * 2]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PRO 0.125 0.068 9 0 "[ . 1 . 2]"
1 39 GLY 1.284 0.152 4 0 "[ . 1 . 2]"
1 40 LYS 1.220 0.171 9 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 1.326 0.152 4 0 "[ . 1 . 2]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 TYR 2.340 0.625 4 1 "[ +. 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TYR 9.711 0.831 12 3 "[ -. * 1 + . 2]"
1 47 VAL 4.599 0.841 12 3 "[ -. *1 + . 2]"
1 48 VAL 1.454 0.141 11 0 "[ . 1 . 2]"
1 49 ILE 0.596 0.169 13 0 "[ . 1 . 2]"
1 50 GLY 0.130 0.080 9 0 "[ . 1 . 2]"
1 51 ASP 0.627 0.169 13 0 "[ . 1 . 2]"
1 52 GLN 0.460 0.087 13 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASN 1.589 0.169 13 0 "[ . 1 . 2]"
1 67 ILE 10.376 0.710 7 6 "[ .*+* 1 * . * *2]"
1 68 THR 3.643 0.703 8 2 "[ . + 1 . -]"
1 69 MET 1.751 0.960 3 2 "[ + . 1 - . 2]"
1 70 ASP 7.028 0.915 15 6 "[ .** *1 + - *2]"
1 71 PHE 4.921 0.631 4 3 "[ +. - 1 * . 2]"
1 72 HIS 3.758 0.478 16 0 "[ . 1 . 2]"
1 73 VAL 7.891 0.968 1 5 "[+ -*. *1 * . 2]"
1 74 TRP 10.974 0.898 14 9 "[ . ***** +- **]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLY 0.172 0.074 10 0 "[ . 1 . 2]"
1 77 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.081 0.060 13 0 "[ . 1 . 2]"
1 81 GLU 0.558 0.446 19 0 "[ . 1 . 2]"
1 82 ALA 0.048 0.040 2 0 "[ . 1 . 2]"
1 83 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.081 0.060 13 0 "[ . 1 . 2]"
1 85 ILE 6.383 0.898 14 7 "[ . * ** +- **]"
1 86 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 0.530 0.335 20 0 "[ . 1 . 2]"
1 89 VAL 2.352 0.968 1 2 "[+ - . 1 . 2]"
1 90 LEU 0.597 0.143 6 0 "[ . 1 . 2]"
1 91 GLU 0.175 0.056 18 0 "[ . 1 . 2]"
1 92 ALA 1.078 0.143 9 0 "[ . 1 . 2]"
1 93 LEU 4.694 0.631 4 3 "[ +. - 1 * . 2]"
1 94 THR 1.590 0.217 2 0 "[ . 1 . 2]"
1 95 TYR 6.070 0.650 12 2 "[ . - + . 2]"
1 96 LYS 3.431 0.217 2 0 "[ . 1 . 2]"
1 97 PRO 0.007 0.005 1 0 "[ . 1 . 2]"
1 98 LEU 4.153 0.593 12 2 "[ . 1 + - 2]"
1 99 MET 2.226 0.373 17 0 "[ . 1 . 2]"
1 100 PHE 1.236 0.219 11 0 "[ . 1 . 2]"
1 101 GLU 4.337 0.301 6 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 PHE 5.057 0.301 6 0 "[ . 1 . 2]"
1 104 THR 1.906 0.373 17 0 "[ . 1 . 2]"
1 105 PHE 10.211 0.898 14 8 "[ . * *** +- **]"
1 106 VAL 0.828 0.169 13 0 "[ . 1 . 2]"
1 107 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LYS 0.997 0.164 11 0 "[ . 1 . 2]"
1 115 VAL 0.081 0.036 1 0 "[ . 1 . 2]"
1 116 ILE 0.599 0.210 2 0 "[ . 1 . 2]"
1 117 THR 0.282 0.077 2 0 "[ . 1 . 2]"
1 118 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 VAL 0.032 0.016 3 0 "[ . 1 . 2]"
1 123 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 HIS 2.899 0.723 9 2 "[ . - +1 . 2]"
1 126 GLY 0.332 0.099 20 0 "[ . 1 . 2]"
1 127 ILE 1.431 0.192 2 0 "[ . 1 . 2]"
1 128 ILE 0.458 0.086 9 0 "[ . 1 . 2]"
1 129 LYS 0.366 0.192 2 0 "[ . 1 . 2]"
1 130 VAL 6.420 0.915 15 6 "[ .** *1 + - *2]"
1 131 ARG 3.643 0.703 8 2 "[ . + 1 . -]"
1 132 PHE 8.427 0.960 3 5 "[ + .*- 1 * . *2]"
1 133 THR 2.821 0.139 13 0 "[ . 1 . 2]"
1 134 ILE 0.592 0.169 13 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 27 LEU QD 1 33 GLN QB 3.060 . 4.230 3.879 2.681 5.187 0.957 10 2 "[ . + .- 2]" 1
2 1 133 THR HA 1 134 ILE MG 3.500 . 5.030 3.904 3.343 4.601 . 0 0 "[ . 1 . 2]" 1
3 1 73 VAL MG1 1 89 VAL QG 2.520 . 3.310 2.842 2.022 4.278 0.968 1 2 "[+ - . 1 . 2]" 1
4 1 28 MET HA 1 31 VAL QG 3.060 . 4.230 3.324 2.255 4.090 . 0 0 "[ . 1 . 2]" 1
5 1 106 VAL HB 1 133 THR HB 3.060 . 4.230 3.895 3.092 4.295 0.065 5 0 "[ . 1 . 2]" 1
6 1 106 VAL QG 1 133 THR HB 3.170 . 4.430 4.165 3.865 4.311 . 0 0 "[ . 1 . 2]" 1
7 1 107 ALA MB 1 132 PHE QE 3.170 . 4.430 3.017 2.103 3.982 . 0 0 "[ . 1 . 2]" 1
8 1 17 THR HB 1 98 LEU QD 2.850 . 3.860 3.415 2.223 3.937 0.077 2 0 "[ . 1 . 2]" 1
9 1 23 SER QB 1 96 LYS QE 3.720 . 4.840 2.419 1.943 3.183 0.047 2 0 "[ . 1 . 2]" 1
10 1 99 MET HG3 1 104 THR MG 3.610 . 5.240 3.022 2.166 3.778 . 0 0 "[ . 1 . 2]" 1
11 1 13 LEU HG 1 16 ALA MB 2.950 . 4.040 3.638 2.718 3.995 . 0 0 "[ . 1 . 2]" 1
12 1 17 THR MG 1 71 PHE QR 3.170 . 4.430 2.428 1.840 3.524 0.070 17 0 "[ . 1 . 2]" 1
13 1 67 ILE HB 1 105 PHE QB 2.630 . 3.490 3.107 2.483 3.404 . 0 0 "[ . 1 . 2]" 1
14 1 27 LEU HA 1 31 VAL H 4.160 . 5.300 3.963 3.463 4.445 . 0 0 "[ . 1 . 2]" 1
15 1 71 PHE QE 1 128 ILE MG 3.280 . 4.630 2.082 1.858 2.738 0.072 17 0 "[ . 1 . 2]" 1
16 1 13 LEU HA 1 105 PHE QE 3.610 . 5.240 3.543 2.997 4.158 . 0 0 "[ . 1 . 2]" 1
17 1 13 LEU HA 1 105 PHE HZ 3.500 . 5.030 3.973 2.339 4.910 . 0 0 "[ . 1 . 2]" 1
18 1 13 LEU HA 1 16 ALA MB 3.500 . 5.030 2.233 1.994 2.655 . 0 0 "[ . 1 . 2]" 1
19 1 67 ILE QG 1 105 PHE QD 3.500 . 5.030 2.994 2.442 3.353 . 0 0 "[ . 1 . 2]" 1
20 1 21 LEU HG 1 95 TYR QE 2.950 . 4.040 3.722 2.476 4.102 0.062 13 0 "[ . 1 . 2]" 1
21 1 98 LEU QD 1 132 PHE HA 3.830 . 5.300 5.150 4.678 5.309 0.009 13 0 "[ . 1 . 2]" 1
22 1 47 VAL HB 1 85 ILE MD 3.720 . 5.300 4.267 2.767 5.746 0.446 19 0 "[ . 1 . 2]" 1
23 1 106 VAL QG 1 132 PHE HA 3.720 . 5.300 4.672 4.549 4.915 . 0 0 "[ . 1 . 2]" 1
24 1 67 ILE MG 1 74 TRP HA 3.390 . 4.830 3.186 2.609 3.598 . 0 0 "[ . 1 . 2]" 1
25 1 129 LYS HA 1 129 LYS HG2 2.950 . 4.040 3.178 2.318 3.961 . 0 0 "[ . 1 . 2]" 1
26 1 128 ILE HG13 1 129 LYS HA 3.060 . 4.230 2.724 2.272 3.456 . 0 0 "[ . 1 . 2]" 1
27 1 128 ILE MG 1 129 LYS HA 3.280 . 4.630 3.347 3.116 3.648 . 0 0 "[ . 1 . 2]" 1
28 1 18 VAL MG1 1 19 GLU HA 3.280 . 4.630 3.619 3.226 5.140 0.510 13 1 "[ . 1 + . 2]" 1
29 1 43 PRO HA 1 44 TYR QD 3.170 . 4.430 3.170 2.453 4.039 . 0 0 "[ . 1 . 2]" 1
30 1 94 THR MG 1 96 LYS HA 3.610 . 5.240 5.312 5.190 5.457 0.217 2 0 "[ . 1 . 2]" 1
31 1 90 LEU HA 1 93 LEU HG 3.280 . 4.630 3.945 1.958 4.773 0.143 6 0 "[ . 1 . 2]" 1
32 1 71 PHE QE 1 93 LEU QD 2.850 . 3.860 2.160 2.036 2.411 . 0 0 "[ . 1 . 2]" 1
33 1 12 ALA HA 1 100 PHE QR 3.280 . 4.630 4.314 4.173 4.482 . 0 0 "[ . 1 . 2]" 1
34 1 13 LEU HB3 1 13 LEU MD1 2.850 . 3.860 3.103 2.151 3.376 . 0 0 "[ . 1 . 2]" 1
35 1 13 LEU MD1 1 17 THR MG 3.280 . 4.630 3.545 1.965 4.831 0.201 19 0 "[ . 1 . 2]" 1
36 1 13 LEU MD2 1 17 THR MG 4.050 . 5.300 4.597 4.015 5.399 0.099 9 0 "[ . 1 . 2]" 1
37 1 14 GLN HA 1 16 ALA H 3.830 . 5.300 4.184 4.049 4.327 . 0 0 "[ . 1 . 2]" 1
38 1 21 LEU HA 1 21 LEU QD 2.850 . 3.860 2.168 1.987 2.374 . 0 0 "[ . 1 . 2]" 1
39 1 24 TYR HA 1 24 TYR QD 3.610 . 5.240 2.203 2.054 2.405 . 0 0 "[ . 1 . 2]" 1
40 1 24 TYR HB3 1 24 TYR QD 4.050 . 5.300 2.235 2.159 2.331 . 0 0 "[ . 1 . 2]" 1
41 1 24 TYR QD 1 92 ALA MB 3.500 . 5.030 2.175 1.948 2.578 0.022 10 0 "[ . 1 . 2]" 1
42 1 24 TYR QE 1 92 ALA MB 3.500 . 5.030 3.604 2.909 4.251 . 0 0 "[ . 1 . 2]" 1
43 1 30 MET HA 1 30 MET QB 3.170 . 4.430 2.442 2.369 2.581 . 0 0 "[ . 1 . 2]" 1
44 1 32 ASN HA 1 32 ASN QB 3.500 . 5.030 2.430 2.130 2.550 . 0 0 "[ . 1 . 2]" 1
45 1 33 GLN HA 1 33 GLN QB 3.060 . 4.230 2.455 2.269 2.559 . 0 0 "[ . 1 . 2]" 1
46 1 33 GLN HA 1 33 GLN QG 3.280 . 4.630 2.483 2.158 2.867 . 0 0 "[ . 1 . 2]" 1
47 1 34 VAL MG1 1 35 THR HA 3.280 . 4.630 4.545 3.853 5.535 0.905 8 3 "[- . + 1 . * 2]" 1
48 1 44 TYR QE 1 46 TYR QE 3.940 . 5.300 2.851 2.305 3.322 . 0 0 "[ . 1 . 2]" 1
49 1 35 THR MG 1 48 VAL HA 3.170 . 4.430 2.907 2.271 3.467 . 0 0 "[ . 1 . 2]" 1
50 1 49 ILE HA 1 49 ILE QG 3.720 . 5.300 2.707 2.280 3.241 . 0 0 "[ . 1 . 2]" 1
51 1 49 ILE HB 1 49 ILE QG 3.500 . 5.030 2.276 2.146 2.473 . 0 0 "[ . 1 . 2]" 1
52 1 49 ILE MG 1 71 PHE HA 4.050 . 5.300 3.774 3.040 4.937 . 0 0 "[ . 1 . 2]" 1
53 1 66 ASN HB3 1 133 THR HA 4.050 . 5.300 4.185 3.130 5.356 0.056 8 0 "[ . 1 . 2]" 1
54 1 67 ILE HA 1 67 ILE MG 4.050 . 5.300 2.249 2.039 3.265 . 0 0 "[ . 1 . 2]" 1
55 1 67 ILE HA 1 67 ILE HB 2.950 . 4.040 3.041 2.241 3.141 . 0 0 "[ . 1 . 2]" 1
56 1 67 ILE HB 1 67 ILE MG 2.790 . 3.760 2.192 2.091 2.242 . 0 0 "[ . 1 . 2]" 1
57 1 67 ILE QG 1 67 ILE MG 2.300 . 2.960 2.131 1.973 2.541 . 0 0 "[ . 1 . 2]" 1
58 1 68 THR MG 1 131 ARG HA 3.390 . 4.830 3.787 3.103 4.923 0.093 7 0 "[ . 1 . 2]" 1
59 1 82 ALA HA 1 85 ILE MD 2.950 . 4.040 2.418 2.250 2.639 . 0 0 "[ . 1 . 2]" 1
60 1 82 ALA MB 1 85 ILE MD 2.740 . 3.680 3.356 3.130 3.614 . 0 0 "[ . 1 . 2]" 1
61 1 85 ILE HB 1 85 ILE MD 3.060 . 4.230 2.545 2.417 2.673 . 0 0 "[ . 1 . 2]" 1
62 1 85 ILE MD 1 85 ILE MG 2.190 . 2.790 2.051 2.006 2.162 . 0 0 "[ . 1 . 2]" 1
63 1 82 ALA MB 1 85 ILE QG 3.390 . 4.830 3.564 3.401 3.716 . 0 0 "[ . 1 . 2]" 1
64 1 82 ALA HA 1 85 ILE MG 3.060 . 4.230 3.932 3.758 4.149 . 0 0 "[ . 1 . 2]" 1
65 1 88 ARG HA 1 88 ARG QD 3.390 . 4.830 2.983 2.165 4.390 . 0 0 "[ . 1 . 2]" 1
66 1 93 LEU QD 1 93 LEU HG 2.630 . 3.490 1.932 1.901 1.955 0.039 2 0 "[ . 1 . 2]" 1
67 1 92 ALA MB 1 95 TYR QD 3.500 . 5.030 3.118 2.802 3.389 . 0 0 "[ . 1 . 2]" 1
68 1 93 LEU HA 1 95 TYR QD 3.720 . 5.300 5.336 5.201 5.409 0.109 1 0 "[ . 1 . 2]" 1
69 1 96 LYS QB 1 96 LYS QD 3.500 . 5.030 2.366 2.002 2.754 . 0 0 "[ . 1 . 2]" 1
70 1 96 LYS QD 1 96 LYS QG 3.450 . 4.840 2.012 1.919 2.098 0.041 20 0 "[ . 1 . 2]" 1
71 1 98 LEU HB2 1 98 LEU QD 2.900 . 3.950 2.291 2.133 2.544 . 0 0 "[ . 1 . 2]" 1
72 1 98 LEU QD 1 98 LEU HG 2.950 . 4.040 1.921 1.899 1.943 . 0 0 "[ . 1 . 2]" 1
73 1 99 MET HB2 1 99 MET HG3 2.950 . 4.040 2.460 2.331 2.698 . 0 0 "[ . 1 . 2]" 1
74 1 99 MET HG3 1 104 THR HA 4.160 . 5.300 2.900 2.072 3.419 . 0 0 "[ . 1 . 2]" 1
75 1 99 MET HG2 1 104 THR HA 3.390 . 4.830 4.295 2.767 4.847 0.017 13 0 "[ . 1 . 2]" 1
76 1 99 MET HA 1 104 THR HA . . 2.800 2.670 2.363 2.911 0.111 5 0 "[ . 1 . 2]" 1
77 1 123 THR HA 1 123 THR MG 2.740 . 3.680 2.653 2.094 3.287 . 0 0 "[ . 1 . 2]" 1
78 1 68 THR HA 1 131 ARG HB3 3.390 . 4.830 4.445 2.344 5.533 0.703 8 2 "[ . + 1 . -]" 1
79 1 132 PHE HA 1 132 PHE QE 3.720 . 5.300 5.053 4.669 5.314 0.014 16 0 "[ . 1 . 2]" 1
80 1 51 ASP HA 1 127 ILE MD 3.580 . 5.180 2.979 2.117 3.694 . 0 0 "[ . 1 . 2]" 1
81 1 93 LEU HG 1 94 THR H 4.090 . 5.300 3.146 1.962 4.202 0.038 19 0 "[ . 1 . 2]" 1
82 1 21 LEU HA 1 21 LEU HG 3.320 . 4.700 3.117 2.417 3.793 . 0 0 "[ . 1 . 2]" 1
83 1 11 ARG HA 1 11 ARG QB 3.450 . 4.940 2.171 2.027 2.274 . 0 0 "[ . 1 . 2]" 1
84 1 11 ARG QB 1 67 ILE HA 3.580 . 5.180 5.250 5.056 5.405 0.225 1 0 "[ . 1 . 2]" 1
85 1 71 PHE HA 1 72 HIS HD2 4.220 . 5.300 3.014 2.484 3.777 . 0 0 "[ . 1 . 2]" 1
86 1 15 LYS QD 1 100 PHE HA 3.580 . 5.180 4.913 4.721 5.060 . 0 0 "[ . 1 . 2]" 1
87 1 52 GLN HA 1 127 ILE QG 3.710 . 5.300 4.713 4.080 5.122 . 0 0 "[ . 1 . 2]" 1
88 1 44 TYR QE 1 51 ASP HB3 4.350 . 5.300 2.130 1.975 2.466 0.015 3 0 "[ . 1 . 2]" 1
89 1 21 LEU HA 1 95 TYR QD 3.580 . 5.180 5.173 4.964 5.481 0.301 10 0 "[ . 1 . 2]" 1
90 1 44 TYR QD 1 76 GLY HA2 3.830 . 5.300 4.740 3.642 5.374 0.074 10 0 "[ . 1 . 2]" 1
91 1 20 ASN QB 1 22 GLU QG 3.830 . 5.300 4.982 4.517 5.466 0.166 7 0 "[ . 1 . 2]" 1
92 1 67 ILE MG 1 68 THR HA 3.580 . 5.180 3.895 3.470 4.817 . 0 0 "[ . 1 . 2]" 1
93 1 34 VAL MG1 1 48 VAL HA 3.070 . 4.250 2.250 2.077 2.334 . 0 0 "[ . 1 . 2]" 1
94 1 6 TRP HE3 1 9 ALA MB 3.580 . 5.180 2.935 2.072 4.946 . 0 0 "[ . 1 . 2]" 1
95 1 70 ASP HA 1 127 ILE HB 3.710 . 5.300 2.637 2.205 3.306 . 0 0 "[ . 1 . 2]" 1
96 1 16 ALA MB 1 100 PHE QD 3.710 . 5.300 3.003 2.254 4.674 . 0 0 "[ . 1 . 2]" 1
97 1 24 TYR HA 1 24 TYR QE 3.960 . 5.300 4.341 4.137 4.526 . 0 0 "[ . 1 . 2]" 1
98 1 6 TRP HE3 1 9 ALA HA 3.580 . 5.180 2.995 2.754 3.482 . 0 0 "[ . 1 . 2]" 1
99 1 46 TYR QE 1 74 TRP HZ3 3.260 . 4.590 2.733 2.370 3.162 . 0 0 "[ . 1 . 2]" 1
100 1 103 PHE HB3 1 105 PHE QD 3.580 . 5.180 4.092 3.348 4.597 . 0 0 "[ . 1 . 2]" 1
101 1 103 PHE HB3 1 105 PHE QE 3.830 . 5.300 3.715 3.058 4.441 . 0 0 "[ . 1 . 2]" 1
102 1 6 TRP HB3 1 6 TRP HD1 3.580 . 5.180 3.227 2.628 3.894 . 0 0 "[ . 1 . 2]" 1
103 1 74 TRP HD1 1 125 HIS HB3 3.710 . 5.300 2.900 2.137 4.397 . 0 0 "[ . 1 . 2]" 1
104 1 6 TRP HZ3 1 9 ALA HA 3.320 . 4.700 2.526 2.270 2.915 . 0 0 "[ . 1 . 2]" 1
105 1 87 SER HA 1 90 LEU H 3.580 . 5.180 3.689 2.876 3.994 . 0 0 "[ . 1 . 2]" 1
106 1 46 TYR QD 1 74 TRP HZ3 3.200 . 4.480 3.138 2.419 3.790 . 0 0 "[ . 1 . 2]" 1
107 1 6 TRP HA 1 6 TRP HZ3 3.320 . 4.700 2.150 1.837 2.696 0.103 2 0 "[ . 1 . 2]" 1
108 1 11 ARG HA 1 40 LYS H 3.710 . 5.300 3.833 2.865 4.221 . 0 0 "[ . 1 . 2]" 1
109 1 28 MET HA 1 32 ASN QB 4.090 . 5.300 4.389 3.768 4.939 . 0 0 "[ . 1 . 2]" 1
110 1 23 SER HA 1 96 LYS QE 4.090 . 5.300 4.633 4.324 4.993 . 0 0 "[ . 1 . 2]" 1
111 1 24 TYR HB3 1 95 TYR QE 3.580 . 5.180 3.521 3.428 3.611 . 0 0 "[ . 1 . 2]" 1
112 1 22 GLU QG 1 96 LYS QE 3.830 . 5.300 4.902 4.743 5.020 . 0 0 "[ . 1 . 2]" 1
113 1 108 LYS HA 1 132 PHE HA 5.300 . 5.300 5.330 5.143 5.464 0.164 11 0 "[ . 1 . 2]" 1
114 1 23 SER QB 1 96 LYS QB 2.680 . 3.580 3.337 3.027 3.626 0.046 7 0 "[ . 1 . 2]" 1
115 1 21 LEU QD 1 95 TYR QD 3.450 . 4.940 4.823 4.753 4.940 . 0 0 "[ . 1 . 2]" 1
116 1 6 TRP HE3 1 9 ALA MB 3.450 . 4.940 2.962 2.072 4.982 0.042 6 0 "[ . 1 . 2]" 1
117 1 34 VAL MG1 1 46 TYR QE 3.900 . 5.300 2.695 2.022 3.355 . 0 0 "[ . 1 . 2]" 1
118 1 67 ILE MG 1 71 PHE QD 2.810 . 3.800 2.350 1.883 2.864 . 0 0 "[ . 1 . 2]" 1
119 1 71 PHE HZ 1 130 VAL QG 3.510 . 5.050 2.802 1.976 4.271 . 0 0 "[ . 1 . 2]" 1
120 1 20 ASN HA 1 96 LYS QE 3.830 . 5.300 2.872 2.074 3.660 . 0 0 "[ . 1 . 2]" 1
121 1 77 THR HB 1 81 GLU QB 3.200 . 4.480 3.424 2.526 4.318 . 0 0 "[ . 1 . 2]" 1
122 1 19 GLU HA 1 19 GLU HB2 2.940 . 4.020 2.647 2.505 3.071 . 0 0 "[ . 1 . 2]" 1
123 1 27 LEU HA 1 88 ARG QB 3.260 . 4.590 3.490 2.769 4.342 . 0 0 "[ . 1 . 2]" 1
124 1 77 THR HB 1 77 THR MG 2.940 . 4.020 2.194 2.156 2.217 . 0 0 "[ . 1 . 2]" 1
125 1 20 ASN HA 1 20 ASN QB 3.320 . 4.700 2.246 1.982 2.592 0.018 6 0 "[ . 1 . 2]" 1
126 1 13 LEU HA 1 13 LEU MD1 3.960 . 5.300 2.961 2.421 3.474 . 0 0 "[ . 1 . 2]" 1
127 1 13 LEU HA 1 13 LEU MD2 3.830 . 5.300 2.451 2.051 2.975 . 0 0 "[ . 1 . 2]" 1
128 1 13 LEU HG 1 40 LYS H 3.200 . 4.480 3.924 2.759 4.651 0.171 9 0 "[ . 1 . 2]" 1
129 1 91 GLU QG 1 95 TYR QB 2.940 . 4.020 3.121 2.871 3.570 . 0 0 "[ . 1 . 2]" 1
130 1 19 GLU HA 1 21 LEU HB2 3.450 . 4.940 4.907 4.759 5.040 0.100 3 0 "[ . 1 . 2]" 1
131 1 35 THR HA 1 35 THR HB 3.200 . 4.480 2.240 2.127 2.392 . 0 0 "[ . 1 . 2]" 1
132 1 13 LEU MD1 1 17 THR MG 3.450 . 4.940 2.879 1.770 4.167 0.190 4 0 "[ . 1 . 2]" 1
133 1 30 MET HA 1 30 MET HG3 3.580 . 5.180 3.122 2.352 3.866 . 0 0 "[ . 1 . 2]" 1
134 1 38 PRO HA 1 40 LYS QD 3.320 . 4.700 2.688 2.254 3.344 . 0 0 "[ . 1 . 2]" 1
135 1 16 ALA HA 1 19 GLU HB3 3.280 . 4.630 2.719 2.176 4.332 . 0 0 "[ . 1 . 2]" 1
136 1 27 LEU HA 1 88 ARG QG 2.940 . 4.020 3.524 2.326 4.060 0.040 3 0 "[ . 1 . 2]" 1
137 1 21 LEU HG 1 95 TYR QE 3.710 . 5.300 2.747 2.337 3.438 . 0 0 "[ . 1 . 2]" 1
138 1 21 LEU HG 1 94 THR H 3.510 . 5.050 2.654 2.314 2.963 . 0 0 "[ . 1 . 2]" 1
139 1 95 TYR QE 1 96 LYS QD 3.580 . 5.180 4.556 2.498 5.228 0.048 6 0 "[ . 1 . 2]" 1
140 1 100 PHE QD 1 101 GLU HG3 3.450 . 4.940 4.195 3.400 5.114 0.174 6 0 "[ . 1 . 2]" 1
141 1 16 ALA HA 1 95 TYR QD 3.830 . 5.300 3.891 3.634 4.226 . 0 0 "[ . 1 . 2]" 1
142 1 11 ARG HA 1 13 LEU HG 3.320 . 4.700 4.443 3.769 4.822 0.122 3 0 "[ . 1 . 2]" 1
143 1 99 MET HA 1 105 PHE HZ 4.600 . 5.300 4.974 3.968 5.363 0.063 19 0 "[ . 1 . 2]" 1
144 1 17 THR HB 1 71 PHE QE 3.710 . 5.300 3.411 2.502 4.557 . 0 0 "[ . 1 . 2]" 1
145 1 11 ARG HA 1 71 PHE QD 3.830 . 5.300 3.878 2.869 4.264 . 0 0 "[ . 1 . 2]" 1
146 1 132 PHE HA 1 133 THR HA 4.090 . 5.300 4.461 4.361 4.530 . 0 0 "[ . 1 . 2]" 1
147 1 11 ARG HA 1 11 ARG QD 3.960 . 5.300 3.146 1.991 4.564 0.009 6 0 "[ . 1 . 2]" 1
148 1 17 THR HA 1 17 THR MG 3.370 . 4.790 2.430 2.104 3.240 . 0 0 "[ . 1 . 2]" 1
149 1 23 SER HA 1 23 SER QB 3.200 . 4.480 2.332 2.122 2.423 . 0 0 "[ . 1 . 2]" 1
150 1 24 TYR QD 1 95 TYR QD 4.090 . 5.300 3.314 2.983 3.543 . 0 0 "[ . 1 . 2]" 1
151 1 24 TYR QD 1 95 TYR QE 4.090 . 5.300 3.454 3.092 3.865 . 0 0 "[ . 1 . 2]" 1
152 1 31 VAL HA 1 31 VAL QG 3.510 . 5.050 2.249 2.073 2.501 . 0 0 "[ . 1 . 2]" 1
153 1 42 ASP HA 1 43 PRO HD3 4.220 . 5.300 2.241 2.041 2.814 . 0 0 "[ . 1 . 2]" 1
154 1 42 ASP HA 1 43 PRO HD2 4.860 . 5.300 3.075 2.458 3.516 . 0 0 "[ . 1 . 2]" 1
155 1 44 TYR HA 1 45 PRO HA 4.350 . 5.300 2.460 2.297 2.668 . 0 0 "[ . 1 . 2]" 1
156 1 50 GLY HA2 1 72 HIS HD2 3.450 . 4.940 4.568 4.097 5.020 0.080 9 0 "[ . 1 . 2]" 1
157 1 52 GLN HA 1 52 GLN QB 3.830 . 5.300 2.297 2.082 2.544 . 0 0 "[ . 1 . 2]" 1
158 1 61 SER HA 1 61 SER QB 3.450 . 4.940 2.347 2.195 2.487 . 0 0 "[ . 1 . 2]" 1
159 1 68 THR HA 1 68 THR MG 3.110 . 4.320 2.521 2.232 3.237 . 0 0 "[ . 1 . 2]" 1
160 1 49 ILE HA 1 71 PHE HA . . 2.800 2.358 2.121 2.588 . 0 0 "[ . 1 . 2]" 1
161 1 71 PHE HA 1 71 PHE QB 4.150 . 5.300 2.206 2.068 2.360 . 0 0 "[ . 1 . 2]" 1
162 1 44 TYR QE 1 74 TRP HA 4.090 . 5.300 4.622 4.107 5.331 0.031 17 0 "[ . 1 . 2]" 1
163 1 74 TRP HA 1 74 TRP QB 4.220 . 5.050 2.215 2.117 2.280 . 0 0 "[ . 1 . 2]" 1
164 1 74 TRP HA 1 74 TRP HE3 3.710 . 5.300 4.207 4.114 4.432 . 0 0 "[ . 1 . 2]" 1
165 1 44 TYR QE 1 74 TRP HE3 3.830 . 5.300 3.993 2.671 4.992 . 0 0 "[ . 1 . 2]" 1
166 1 77 THR HA 1 77 THR MG 2.850 . 3.870 2.346 2.221 2.565 . 0 0 "[ . 1 . 2]" 1
167 1 86 SER HA 1 86 SER QB 3.320 . 4.700 2.315 2.105 2.486 . 0 0 "[ . 1 . 2]" 1
168 1 87 SER HA 1 87 SER QB 3.580 . 5.180 2.353 2.148 2.440 . 0 0 "[ . 1 . 2]" 1
169 1 24 TYR QE 1 95 TYR QE 4.220 . 5.300 4.853 4.153 5.392 0.092 7 0 "[ . 1 . 2]" 1
170 1 96 LYS HA 1 97 PRO HD3 3.960 . 5.300 2.234 1.995 2.536 0.005 1 0 "[ . 1 . 2]" 1
171 1 96 LYS HA 1 97 PRO HD2 3.960 . 5.300 2.464 2.138 2.785 . 0 0 "[ . 1 . 2]" 1
172 1 96 LYS QB 1 96 LYS QE 3.710 . 5.300 2.802 2.199 3.681 . 0 0 "[ . 1 . 2]" 1
173 1 74 TRP HA 1 125 HIS HA . . 2.800 2.786 2.620 2.929 0.129 10 0 "[ . 1 . 2]" 1
174 1 72 HIS HA 1 127 ILE HA . . 2.800 2.596 2.295 2.801 0.001 7 0 "[ . 1 . 2]" 1
175 1 72 HIS HA 1 127 ILE HB 3.830 . 5.300 4.196 3.544 4.684 . 0 0 "[ . 1 . 2]" 1
176 1 66 ASN HA 1 133 THR HA . . 2.800 2.717 2.360 2.939 0.139 13 0 "[ . 1 . 2]" 1
177 1 100 PHE QD 1 101 GLU HG2 3.510 . 5.050 3.473 2.395 4.797 . 0 0 "[ . 1 . 2]" 1
178 1 80 ALA MB 1 84 ASP HB2 3.510 . 5.050 4.727 4.042 5.110 0.060 13 0 "[ . 1 . 2]" 1
179 1 40 LYS QD 1 41 ASP QB 3.400 . 4.840 3.548 2.602 4.541 . 0 0 "[ . 1 . 2]" 1
180 1 67 ILE H 1 67 ILE HA 3.160 . 4.410 2.638 2.603 2.667 . 0 0 "[ . 1 . 2]" 1
181 1 15 LYS HB3 1 95 TYR QD 3.280 . 4.620 3.871 3.033 4.301 . 0 0 "[ . 1 . 2]" 1
182 1 10 SER HB3 1 67 ILE MG 3.050 . 4.210 3.377 2.034 4.887 0.677 17 3 "[ . - 1 * . + 2]" 1
183 1 10 SER HB3 1 67 ILE QG 2.810 . 3.800 2.649 1.946 4.510 0.710 7 1 "[ . + 1 . 2]" 1
184 1 20 ASN QB 1 96 LYS QD 3.280 . 4.620 3.307 2.004 4.462 . 0 0 "[ . 1 . 2]" 1
185 1 16 ALA MB 1 100 PHE HB2 3.160 . 4.410 2.836 2.470 4.320 . 0 0 "[ . 1 . 2]" 1
186 1 24 TYR HB3 1 27 LEU QD 3.280 . 4.620 2.772 2.049 3.567 . 0 0 "[ . 1 . 2]" 1
187 1 25 GLN QB 1 26 PRO HD3 3.200 . 4.480 3.405 1.981 3.801 . 0 0 "[ . 1 . 2]" 1
188 1 47 VAL QG 1 71 PHE QB 3.280 . 4.620 2.392 2.036 2.837 . 0 0 "[ . 1 . 2]" 1
189 1 18 VAL MG1 1 40 LYS QE 2.930 . 4.000 3.294 2.106 3.785 . 0 0 "[ . 1 . 2]" 1
190 1 128 ILE HA 1 128 ILE HG13 3.510 . 5.050 3.068 2.230 3.917 . 0 0 "[ . 1 . 2]" 1
191 1 46 TYR H 1 74 TRP HE3 3.750 . 5.300 3.801 3.396 4.282 . 0 0 "[ . 1 . 2]" 1
192 1 14 GLN HB2 1 70 ASP H 3.630 . 5.280 3.527 2.768 3.831 . 0 0 "[ . 1 . 2]" 1
193 1 108 LYS HB2 1 132 PHE HA 3.870 . 5.300 4.247 3.929 4.754 . 0 0 "[ . 1 . 2]" 1
194 1 132 PHE HA 1 133 THR MG 3.750 . 5.300 5.318 4.271 5.433 0.133 20 0 "[ . 1 . 2]" 1
195 1 104 THR MG 1 105 PHE HA 3.750 . 5.300 4.364 3.705 5.368 0.068 13 0 "[ . 1 . 2]" 1
196 1 74 TRP HD1 1 125 HIS HA 3.690 . 5.300 3.647 2.414 4.688 . 0 0 "[ . 1 . 2]" 1
197 1 69 MET HB3 1 132 PHE HZ 3.280 . 4.620 4.075 2.691 5.580 0.960 3 2 "[ + . 1 - . 2]" 1
198 1 40 LYS H 1 40 LYS HB2 3.280 . 4.620 3.425 2.838 3.669 . 0 0 "[ . 1 . 2]" 1
199 1 14 GLN HA 1 17 THR HB 3.510 . 5.050 2.966 2.014 4.668 . 0 0 "[ . 1 . 2]" 1
200 1 35 THR MG 1 38 PRO HA 2.930 . 4.000 3.724 2.933 4.068 0.068 9 0 "[ . 1 . 2]" 1
201 1 128 ILE HA 1 128 ILE HG12 3.460 . 4.950 3.012 2.472 3.852 . 0 0 "[ . 1 . 2]" 1
202 1 71 PHE QD 1 93 LEU HG 3.050 . 4.210 2.418 1.947 4.295 0.085 2 0 "[ . 1 . 2]" 1
203 1 40 LYS HB3 1 46 TYR QE 3.510 . 5.050 4.281 2.447 5.123 0.073 4 0 "[ . 1 . 2]" 1
204 1 24 TYR QE 1 25 GLN HG2 4.800 . 5.300 4.855 4.244 5.325 0.025 6 0 "[ . 1 . 2]" 1
205 1 24 TYR QE 1 25 GLN HG3 4.100 . 5.300 5.243 4.756 5.396 0.096 15 0 "[ . 1 . 2]" 1
206 1 95 TYR QB 1 95 TYR QE 3.280 . 4.620 3.417 2.917 3.704 . 0 0 "[ . 1 . 2]" 1
207 1 6 TRP HH2 1 9 ALA MB 2.690 . 3.600 3.473 2.714 4.067 0.467 20 0 "[ . 1 . 2]" 1
208 1 15 LYS HG3 1 100 PHE QE 3.750 . 5.300 4.846 4.409 5.354 0.054 11 0 "[ . 1 . 2]" 1
209 1 15 LYS H 1 18 VAL MG1 3.160 . 4.410 4.150 3.922 4.450 0.040 2 0 "[ . 1 . 2]" 1
210 1 23 SER H 1 96 LYS QG 3.400 . 4.840 4.731 4.343 4.831 . 0 0 "[ . 1 . 2]" 1
211 1 18 VAL MG1 1 44 TYR QD 3.280 . 4.620 3.405 2.234 3.841 . 0 0 "[ . 1 . 2]" 1
212 1 72 HIS HB2 1 74 TRP HH2 3.400 . 4.840 3.705 3.192 4.129 . 0 0 "[ . 1 . 2]" 1
213 1 99 MET HG3 1 105 PHE QE 3.510 . 5.050 4.927 4.526 5.092 0.042 15 0 "[ . 1 . 2]" 1
214 1 98 LEU HB2 1 105 PHE QE 3.510 . 5.050 4.929 3.900 5.643 0.593 12 2 "[ . 1 + - 2]" 1
215 1 13 LEU HB2 1 74 TRP HH2 2.580 . 3.410 2.769 2.313 3.345 . 0 0 "[ . 1 . 2]" 1
216 1 47 VAL QG 1 74 TRP HZ3 3.400 . 4.840 4.101 3.800 4.353 . 0 0 "[ . 1 . 2]" 1
217 1 18 VAL H 1 21 LEU QD 3.160 . 4.410 3.155 2.888 3.538 . 0 0 "[ . 1 . 2]" 1
218 1 74 TRP HA 1 125 HIS HB3 3.630 . 5.280 4.214 2.718 6.003 0.723 9 2 "[ . - +1 . 2]" 1
219 1 47 VAL HA 1 49 ILE HB 3.750 . 5.300 4.193 3.386 4.569 . 0 0 "[ . 1 . 2]" 1
220 1 70 ASP HA 1 128 ILE HB 3.630 . 5.280 3.833 3.598 4.168 . 0 0 "[ . 1 . 2]" 1
221 1 73 VAL MG1 1 85 ILE HB 2.340 . 3.030 2.371 2.045 2.643 . 0 0 "[ . 1 . 2]" 1
222 1 47 VAL HA 1 74 TRP HH2 3.670 . 5.300 3.226 2.433 3.843 . 0 0 "[ . 1 . 2]" 1
223 1 20 ASN H 1 96 LYS QD 3.510 . 5.050 4.379 2.943 5.069 0.019 8 0 "[ . 1 . 2]" 1
224 1 10 SER H 1 31 VAL QG 3.400 . 4.840 3.572 3.294 3.948 . 0 0 "[ . 1 . 2]" 1
225 1 35 THR MG 1 46 TYR QD 3.160 . 4.410 3.646 3.100 4.112 . 0 0 "[ . 1 . 2]" 1
226 1 48 VAL QG 1 74 TRP HH2 3.050 . 3.800 1.890 1.749 2.061 0.141 11 0 "[ . 1 . 2]" 1
227 1 46 TYR QD 1 47 VAL HA 3.510 . 5.050 4.054 3.560 4.301 . 0 0 "[ . 1 . 2]" 1
228 1 70 ASP HA 1 129 LYS HB2 3.460 . 4.950 2.478 2.195 3.079 . 0 0 "[ . 1 . 2]" 1
229 1 70 ASP HA 1 129 LYS HB3 3.480 . 4.990 2.881 2.428 3.072 . 0 0 "[ . 1 . 2]" 1
230 1 70 ASP HA 1 127 ILE HB 3.400 . 4.840 2.617 2.197 3.210 . 0 0 "[ . 1 . 2]" 1
231 1 27 LEU QD 1 28 MET QG 3.750 . 5.300 4.129 2.869 4.886 . 0 0 "[ . 1 . 2]" 1
232 1 84 ASP HB3 1 85 ILE MG 3.280 . 4.620 3.918 3.258 4.453 . 0 0 "[ . 1 . 2]" 1
233 1 20 ASN QB 1 21 LEU QD 3.630 . 5.280 3.514 2.560 4.669 . 0 0 "[ . 1 . 2]" 1
234 1 13 LEU HG 1 20 ASN QB 3.280 . 4.620 2.854 2.328 3.402 . 0 0 "[ . 1 . 2]" 1
235 1 49 ILE MG 1 51 ASP HB3 3.160 . 4.410 4.321 3.993 4.579 0.169 13 0 "[ . 1 . 2]" 1
236 1 15 LYS HA 1 16 ALA H 3.510 . 5.050 3.561 3.512 3.655 . 0 0 "[ . 1 . 2]" 1
237 1 67 ILE H 1 132 PHE HB3 3.870 . 5.300 5.405 4.908 6.003 0.703 19 3 "[ .*- 1 . +2]" 1
238 1 71 PHE H 1 71 PHE QB 3.750 . 5.300 3.018 2.643 3.240 . 0 0 "[ . 1 . 2]" 1
239 1 67 ILE H 1 132 PHE HA 3.870 . 5.300 5.081 4.634 5.327 0.027 13 0 "[ . 1 . 2]" 1
240 1 24 TYR QE 1 26 PRO HD3 3.510 . 5.050 3.519 2.893 3.791 . 0 0 "[ . 1 . 2]" 1
241 1 92 ALA HA 1 95 TYR QD 2.870 . 3.900 2.261 1.866 2.464 . 0 0 "[ . 1 . 2]" 1
242 1 19 GLU H 1 19 GLU HA 2.810 . 3.800 2.353 2.087 2.647 . 0 0 "[ . 1 . 2]" 1
243 1 70 ASP HB2 1 130 VAL H 3.750 . 5.300 5.379 4.330 6.215 0.915 15 6 "[ .** *1 + - *2]" 1
244 1 22 GLU H 1 22 GLU HB2 3.280 . 4.620 3.032 2.486 3.480 . 0 0 "[ . 1 . 2]" 1
245 1 48 VAL HB 1 49 ILE H 3.400 . 4.840 2.907 2.317 4.495 . 0 0 "[ . 1 . 2]" 1
246 1 57 PHE HB3 1 57 PHE QD 3.280 . 4.620 2.225 2.133 2.374 . 0 0 "[ . 1 . 2]" 1
247 1 92 ALA HA 1 95 TYR H 3.510 . 5.050 3.322 3.157 3.467 . 0 0 "[ . 1 . 2]" 1
248 1 71 PHE QD 1 128 ILE HB 3.280 . 4.620 2.432 1.948 4.422 . 0 0 "[ . 1 . 2]" 1
249 1 91 GLU H 1 91 GLU HB2 3.750 . 5.300 2.482 2.324 2.636 . 0 0 "[ . 1 . 2]" 1
250 1 91 GLU H 1 91 GLU QG 3.510 . 5.050 3.528 3.395 3.616 . 0 0 "[ . 1 . 2]" 1
251 1 70 ASP HB3 1 72 HIS HD2 3.400 . 4.840 4.386 3.416 5.278 0.438 16 0 "[ . 1 . 2]" 1
252 1 33 GLN QG 1 46 TYR QD 3.870 . 5.300 3.897 2.715 4.482 . 0 0 "[ . 1 . 2]" 1
253 1 42 ASP H 1 42 ASP HB2 3.400 . 4.840 2.437 2.148 3.708 . 0 0 "[ . 1 . 2]" 1
254 1 127 ILE MD 1 129 LYS HB3 3.630 . 5.280 4.427 3.016 5.294 0.014 8 0 "[ . 1 . 2]" 1
255 1 69 MET H 1 70 ASP HA 3.750 . 5.300 4.338 4.178 4.519 . 0 0 "[ . 1 . 2]" 1
256 1 11 ARG HA 1 44 TYR QD 3.630 . 5.280 4.648 4.130 4.989 . 0 0 "[ . 1 . 2]" 1
257 1 44 TYR QD 1 76 GLY HA3 3.750 . 5.300 3.837 2.659 4.897 . 0 0 "[ . 1 . 2]" 1
258 1 52 GLN QB 1 127 ILE MG 3.870 . 4.840 4.057 3.566 4.644 . 0 0 "[ . 1 . 2]" 1
259 1 52 GLN QB 1 89 VAL QG 3.980 . 5.300 2.105 1.952 2.787 0.048 10 0 "[ . 1 . 2]" 1
260 1 96 LYS QB 1 96 LYS QG 3.400 . 4.300 2.007 1.940 2.088 0.060 11 0 "[ . 1 . 2]" 1
261 1 15 LYS H 1 15 LYS HG2 3.050 . 4.210 2.174 2.049 2.237 . 0 0 "[ . 1 . 2]" 1
262 1 15 LYS HA 1 18 VAL MG1 2.870 . 3.900 2.786 2.206 4.020 0.120 4 0 "[ . 1 . 2]" 1
263 1 12 ALA MB 1 74 TRP HH2 3.340 . 4.730 4.967 4.465 5.628 0.898 14 7 "[ . * ** +- **]" 1
264 1 13 LEU MD2 1 67 ILE QG 3.550 . 5.130 2.575 1.845 4.559 0.125 4 0 "[ . 1 . 2]" 1
265 1 74 TRP HA 1 74 TRP HD1 3.400 . 4.840 3.793 3.394 4.093 . 0 0 "[ . 1 . 2]" 1
266 1 20 ASN HA 1 95 TYR QB 4.570 . 5.300 5.114 4.440 5.950 0.650 12 2 "[ . - + . 2]" 1
267 1 107 ALA MB 1 108 LYS H 3.510 . 5.050 3.058 2.845 3.391 . 0 0 "[ . 1 . 2]" 1
268 1 127 ILE QG 1 128 ILE H 2.810 . 3.800 3.330 2.351 3.787 . 0 0 "[ . 1 . 2]" 1
269 1 73 VAL H 1 73 VAL MG1 3.870 . 5.300 3.134 1.981 3.859 0.019 20 0 "[ . 1 . 2]" 1
270 1 97 PRO HA 1 97 PRO HD3 3.280 . 4.620 3.638 3.452 3.757 . 0 0 "[ . 1 . 2]" 1
271 1 32 ASN QB 1 46 TYR QB 3.160 . 4.410 3.927 2.834 5.241 0.831 12 2 "[ . - 1 + . 2]" 1
272 1 38 PRO HA 1 40 LYS QE 3.280 . 4.620 3.018 2.046 4.578 . 0 0 "[ . 1 . 2]" 1
273 1 73 VAL HB 1 126 GLY H 3.870 . 5.300 4.376 3.067 5.399 0.099 20 0 "[ . 1 . 2]" 1
274 1 71 PHE QB 1 72 HIS H 3.630 . 5.280 2.935 2.738 3.156 . 0 0 "[ . 1 . 2]" 1
275 1 71 PHE QB 1 72 HIS H 3.980 . 5.300 3.063 2.807 3.344 . 0 0 "[ . 1 . 2]" 1
276 1 20 ASN H 1 20 ASN QB 3.160 . 4.410 2.372 1.875 2.986 0.035 14 0 "[ . 1 . 2]" 1
277 1 13 LEU H 1 13 LEU MD1 3.810 . 5.300 3.941 2.838 4.530 . 0 0 "[ . 1 . 2]" 1
278 1 72 HIS HA 1 73 VAL MG2 3.510 . 5.050 3.953 3.045 5.528 0.478 16 0 "[ . 1 . 2]" 1
279 1 20 ASN QB 1 96 LYS QG 3.870 . 5.300 2.375 1.784 3.927 0.216 9 0 "[ . 1 . 2]" 1
280 1 95 TYR H 1 98 LEU QD 3.630 . 5.280 5.112 4.902 5.286 0.006 7 0 "[ . 1 . 2]" 1
281 1 72 HIS HE1 1 85 ILE MG 3.280 . 4.620 2.952 2.428 3.677 . 0 0 "[ . 1 . 2]" 1
282 1 27 LEU H 1 28 MET QG 3.980 . 5.300 3.702 3.349 4.284 . 0 0 "[ . 1 . 2]" 1
283 1 39 GLY HA3 1 41 ASP H 4.220 . 5.300 4.608 4.190 4.894 . 0 0 "[ . 1 . 2]" 1
284 1 47 VAL HA 1 67 ILE MG 3.160 . 4.410 3.407 2.911 3.847 . 0 0 "[ . 1 . 2]" 1
285 1 127 ILE MD 1 129 LYS HB2 3.570 . 5.170 3.914 2.466 5.362 0.192 2 0 "[ . 1 . 2]" 1
286 1 51 ASP HB2 1 89 VAL QG 3.750 . 5.300 3.189 2.604 3.873 . 0 0 "[ . 1 . 2]" 1
287 1 73 VAL HB 1 89 VAL QG 3.750 . 5.300 3.976 2.606 5.004 . 0 0 "[ . 1 . 2]" 1
288 1 13 LEU HG 1 48 VAL HA 3.280 . 4.620 2.905 2.271 3.461 . 0 0 "[ . 1 . 2]" 1
289 1 52 GLN HG2 1 70 ASP HA 3.750 . 5.300 3.772 3.552 4.089 . 0 0 "[ . 1 . 2]" 1
290 1 70 ASP HA 1 70 ASP HB2 3.510 . 5.050 2.853 2.084 3.067 . 0 0 "[ . 1 . 2]" 1
291 1 70 ASP HA 1 71 PHE QD 3.400 . 4.840 3.536 2.920 4.198 . 0 0 "[ . 1 . 2]" 1
292 1 15 LYS HG2 1 94 THR H 3.220 . 4.520 3.450 2.696 4.045 . 0 0 "[ . 1 . 2]" 1
293 1 40 LYS H 1 46 TYR QE 3.510 . 5.050 3.378 2.675 4.085 . 0 0 "[ . 1 . 2]" 1
294 1 69 MET H 1 132 PHE QE 3.870 . 5.300 3.225 2.464 4.483 . 0 0 "[ . 1 . 2]" 1
295 1 69 MET H 1 132 PHE QD 3.750 . 5.300 3.468 2.969 4.269 . 0 0 "[ . 1 . 2]" 1
296 1 49 ILE MG 1 72 HIS HD2 3.750 . 5.300 4.757 4.475 5.193 . 0 0 "[ . 1 . 2]" 1
297 1 93 LEU QD 1 94 THR H 3.510 . 5.050 4.139 3.151 4.400 . 0 0 "[ . 1 . 2]" 1
298 1 71 PHE HZ 1 93 LEU QD 3.510 . 5.050 2.069 1.844 2.677 0.126 14 0 "[ . 1 . 2]" 1
299 1 67 ILE QG 1 105 PHE QE 3.050 . 4.210 3.621 2.911 4.096 . 0 0 "[ . 1 . 2]" 1
300 1 47 VAL QG 1 72 HIS HD2 3.480 . 4.990 4.889 4.742 5.001 0.011 4 0 "[ . 1 . 2]" 1
301 1 71 PHE HA 1 71 PHE QD 3.510 . 5.050 3.486 2.553 3.739 . 0 0 "[ . 1 . 2]" 1
302 1 11 ARG HA 1 71 PHE QD 3.400 . 4.840 3.847 2.866 4.221 . 0 0 "[ . 1 . 2]" 1
303 1 13 LEU H 1 15 LYS HG2 3.870 . 5.300 3.952 3.302 4.254 . 0 0 "[ . 1 . 2]" 1
304 1 52 GLN HG3 1 127 ILE MG 4.100 . 5.300 4.124 2.874 5.387 0.087 13 0 "[ . 1 . 2]" 1
305 1 44 TYR HB2 1 46 TYR QE 3.630 . 5.280 4.974 4.161 5.905 0.625 4 1 "[ +. 1 . 2]" 1
306 1 24 TYR QE 1 88 ARG QG 3.980 . 5.300 3.000 2.016 4.237 . 0 0 "[ . 1 . 2]" 1
307 1 52 GLN HG2 1 127 ILE MD 3.280 . 4.620 3.438 2.277 4.592 . 0 0 "[ . 1 . 2]" 1
308 1 44 TYR QD 1 45 PRO HA 3.360 . 4.770 3.015 2.615 3.326 . 0 0 "[ . 1 . 2]" 1
309 1 52 GLN HG2 1 127 ILE MG 3.750 . 5.300 4.466 3.269 5.312 0.012 11 0 "[ . 1 . 2]" 1
310 1 24 TYR HB3 1 27 LEU H 4.100 . 5.300 2.734 2.429 2.982 . 0 0 "[ . 1 . 2]" 1
311 1 101 GLU H 1 102 GLY H 3.980 . 5.300 3.171 2.508 4.185 . 0 0 "[ . 1 . 2]" 1
312 1 71 PHE HZ 1 93 LEU HG 3.400 . 4.840 3.652 2.283 4.790 . 0 0 "[ . 1 . 2]" 1
313 1 71 PHE HZ 1 93 LEU HB3 3.510 . 5.050 4.769 3.906 5.681 0.631 4 3 "[ +. - 1 * . 2]" 1
314 1 26 PRO HD3 1 27 LEU H 3.980 . 5.300 4.122 3.866 4.330 . 0 0 "[ . 1 . 2]" 1
315 1 10 SER HB3 1 67 ILE MD 3.870 . 5.300 3.195 1.987 4.050 0.013 19 0 "[ . 1 . 2]" 1
316 1 13 LEU MD1 1 16 ALA MB 3.660 . 5.300 3.832 2.529 5.011 . 0 0 "[ . 1 . 2]" 1
317 1 10 SER HA 1 67 ILE MD 3.400 . 4.840 3.346 1.931 4.145 0.029 7 0 "[ . 1 . 2]" 1
318 1 104 THR HA 1 105 PHE HZ 3.630 . 5.280 3.242 2.801 4.303 . 0 0 "[ . 1 . 2]" 1
319 1 43 PRO HA 1 43 PRO HD3 3.980 . 5.300 3.728 3.409 4.021 . 0 0 "[ . 1 . 2]" 1
320 1 6 TRP HA 1 6 TRP HE3 3.400 . 4.840 3.335 2.296 4.871 0.031 5 0 "[ . 1 . 2]" 1
321 1 6 TRP HB3 1 6 TRP HE3 3.220 . 4.520 3.436 2.457 4.139 . 0 0 "[ . 1 . 2]" 1
322 1 9 ALA HA 1 9 ALA MB 3.010 . 4.140 2.165 2.128 2.191 . 0 0 "[ . 1 . 2]" 1
323 1 10 SER HA 1 11 ARG H 4.220 . 5.300 3.574 3.488 3.676 . 0 0 "[ . 1 . 2]" 1
324 1 10 SER H 1 10 SER HB3 3.810 . 5.300 3.233 2.380 3.675 . 0 0 "[ . 1 . 2]" 1
325 1 11 ARG HA 1 12 ALA H 4.100 . 5.300 3.525 3.437 3.596 . 0 0 "[ . 1 . 2]" 1
326 1 11 ARG QB 1 12 ALA H 3.400 . 4.840 3.450 3.121 3.949 . 0 0 "[ . 1 . 2]" 1
327 1 11 ARG QB 1 11 ARG QD 2.990 . 4.110 2.395 2.147 2.770 . 0 0 "[ . 1 . 2]" 1
328 1 11 ARG QD 1 11 ARG HG3 3.160 . 4.410 2.356 2.215 2.465 . 0 0 "[ . 1 . 2]" 1
329 1 11 ARG QD 1 11 ARG HG2 3.100 . 4.300 2.394 2.226 2.485 . 0 0 "[ . 1 . 2]" 1
330 1 11 ARG HA 1 11 ARG HG3 3.250 . 4.570 3.046 2.361 3.881 . 0 0 "[ . 1 . 2]" 1
331 1 11 ARG HA 1 11 ARG HG2 3.360 . 4.770 3.566 2.970 3.938 . 0 0 "[ . 1 . 2]" 1
332 1 12 ALA HA 1 12 ALA MB 2.970 . 4.070 2.135 2.099 2.189 . 0 0 "[ . 1 . 2]" 1
333 1 12 ALA HA 1 13 LEU H 3.870 . 5.300 3.522 3.397 3.612 . 0 0 "[ . 1 . 2]" 1
334 1 13 LEU H 1 13 LEU MD2 3.980 . 5.300 4.183 3.518 4.580 . 0 0 "[ . 1 . 2]" 1
335 1 13 LEU HA 1 13 LEU MD1 3.300 . 4.660 3.381 2.469 3.828 . 0 0 "[ . 1 . 2]" 1
336 1 13 LEU HB2 1 13 LEU MD1 3.080 . 4.260 2.774 2.148 3.387 . 0 0 "[ . 1 . 2]" 1
337 1 13 LEU MD1 1 67 ILE MD 3.980 . 5.300 4.229 1.933 5.322 0.067 13 0 "[ . 1 . 2]" 1
338 1 13 LEU MD1 1 67 ILE MG 3.510 . 5.050 2.845 1.841 4.050 0.129 8 0 "[ . 1 . 2]" 1
339 1 13 LEU MD1 1 132 PHE QE 3.870 . 5.300 3.181 2.233 4.664 . 0 0 "[ . 1 . 2]" 1
340 1 13 LEU MD1 1 132 PHE HZ 3.870 . 5.300 3.861 3.173 6.067 0.767 13 1 "[ . 1 + . 2]" 1
341 1 13 LEU HA 1 13 LEU MD2 3.460 . 4.950 3.815 2.609 4.171 . 0 0 "[ . 1 . 2]" 1
342 1 13 LEU HB2 1 13 LEU MD2 3.280 . 4.620 2.357 2.076 2.794 . 0 0 "[ . 1 . 2]" 1
343 1 13 LEU MD1 1 13 LEU MD2 3.090 . 4.290 2.001 1.882 2.160 0.008 2 0 "[ . 1 . 2]" 1
344 1 13 LEU MD2 1 67 ILE HB 3.280 . 4.620 3.309 2.019 4.993 0.373 13 0 "[ . 1 . 2]" 1
345 1 13 LEU MD2 1 105 PHE HZ 3.340 . 4.730 2.622 2.019 3.042 . 0 0 "[ . 1 . 2]" 1
346 1 13 LEU HA 1 13 LEU HG 3.630 . 5.280 3.903 3.377 4.227 . 0 0 "[ . 1 . 2]" 1
347 1 13 LEU MD1 1 13 LEU HG 3.220 . 4.520 2.170 2.023 2.285 . 0 0 "[ . 1 . 2]" 1
348 1 13 LEU MD2 1 13 LEU HG 3.080 . 4.270 2.171 2.057 2.237 . 0 0 "[ . 1 . 2]" 1
349 1 13 LEU H 1 13 LEU HB2 3.630 . 5.280 3.336 2.169 3.814 . 0 0 "[ . 1 . 2]" 1
350 1 14 GLN HA 1 15 LYS H 4.100 . 5.300 3.521 3.459 3.596 . 0 0 "[ . 1 . 2]" 1
351 1 14 GLN H 1 14 GLN HB3 3.980 . 5.300 2.752 2.122 3.726 . 0 0 "[ . 1 . 2]" 1
352 1 14 GLN HB3 1 15 LYS H 3.510 . 5.050 3.591 2.865 4.213 . 0 0 "[ . 1 . 2]" 1
353 1 14 GLN HA 1 14 GLN HB2 2.930 . 4.000 2.497 2.168 3.115 . 0 0 "[ . 1 . 2]" 1
354 1 14 GLN H 1 14 GLN HB2 3.340 . 4.730 3.113 2.322 3.796 . 0 0 "[ . 1 . 2]" 1
355 1 14 GLN HB2 1 15 LYS H 3.100 . 4.300 3.882 2.691 4.383 0.083 1 0 "[ . 1 . 2]" 1
356 1 14 GLN HA 1 14 GLN QG 3.280 . 4.620 3.047 2.357 3.716 . 0 0 "[ . 1 . 2]" 1
357 1 14 GLN H 1 14 GLN QG 3.870 . 5.300 3.261 2.091 4.162 . 0 0 "[ . 1 . 2]" 1
358 1 14 GLN QG 1 15 LYS H 3.400 . 4.840 3.545 2.241 4.758 . 0 0 "[ . 1 . 2]" 1
359 1 15 LYS HB3 1 15 LYS QD 3.980 . 5.300 2.903 2.279 3.750 . 0 0 "[ . 1 . 2]" 1
360 1 15 LYS HB2 1 15 LYS QD 3.340 . 4.730 3.086 2.331 3.427 . 0 0 "[ . 1 . 2]" 1
361 1 15 LYS QD 1 15 LYS HG3 3.460 . 4.840 2.318 2.209 2.481 . 0 0 "[ . 1 . 2]" 1
362 1 15 LYS QD 1 15 LYS HG2 3.870 . 5.300 2.461 2.168 2.608 . 0 0 "[ . 1 . 2]" 1
363 1 15 LYS H 1 15 LYS HB3 3.750 . 5.300 2.524 2.138 2.990 . 0 0 "[ . 1 . 2]" 1
364 1 16 ALA HA 1 16 ALA MB 2.810 . 3.800 2.190 2.146 2.229 . 0 0 "[ . 1 . 2]" 1
365 1 16 ALA H 1 16 ALA MB 2.870 . 3.900 2.314 2.248 2.406 . 0 0 "[ . 1 . 2]" 1
366 1 17 THR HB 1 17 THR MG 3.050 . 4.210 2.175 2.107 2.220 . 0 0 "[ . 1 . 2]" 1
367 1 14 GLN HA 1 17 THR MG 3.400 . 4.840 3.466 1.965 4.495 . 0 0 "[ . 1 . 2]" 1
368 1 18 VAL HB 1 18 VAL MG2 3.010 . 4.140 2.171 2.150 2.206 . 0 0 "[ . 1 . 2]" 1
369 1 18 VAL HA 1 18 VAL MG1 2.660 . 3.540 2.961 2.120 3.229 . 0 0 "[ . 1 . 2]" 1
370 1 18 VAL HA 1 18 VAL MG2 2.690 . 3.600 2.216 2.000 3.260 . 0 0 "[ . 1 . 2]" 1
371 1 18 VAL MG1 1 18 VAL MG2 2.110 . 2.670 2.043 1.974 2.131 . 0 0 "[ . 1 . 2]" 1
372 1 16 ALA H 1 18 VAL H 3.980 . 5.300 4.034 3.869 4.380 . 0 0 "[ . 1 . 2]" 1
373 1 19 GLU H 1 19 GLU HB2 3.160 . 4.410 2.427 2.203 2.540 . 0 0 "[ . 1 . 2]" 1
374 1 19 GLU HA 1 19 GLU HG2 3.280 . 4.620 3.116 2.533 3.891 . 0 0 "[ . 1 . 2]" 1
375 1 19 GLU HA 1 20 ASN H 3.510 . 5.050 3.564 3.479 3.692 . 0 0 "[ . 1 . 2]" 1
376 1 19 GLU HA 1 19 GLU HB3 2.930 . 4.000 3.023 2.554 3.125 . 0 0 "[ . 1 . 2]" 1
377 1 19 GLU H 1 19 GLU HB3 3.050 . 4.210 2.817 2.573 3.708 . 0 0 "[ . 1 . 2]" 1
378 1 19 GLU HA 1 19 GLU HG3 2.890 . 3.930 2.768 2.386 3.765 . 0 0 "[ . 1 . 2]" 1
379 1 19 GLU HB3 1 19 GLU HG3 2.520 . 3.310 2.988 2.495 3.109 . 0 0 "[ . 1 . 2]" 1
380 1 19 GLU H 1 19 GLU HG3 3.510 . 5.050 4.185 2.456 4.596 . 0 0 "[ . 1 . 2]" 1
381 1 19 GLU HB3 1 19 GLU HG2 2.750 . 3.700 2.537 2.396 3.107 . 0 0 "[ . 1 . 2]" 1
382 1 19 GLU H 1 19 GLU HG2 3.630 . 5.280 4.478 3.659 4.658 . 0 0 "[ . 1 . 2]" 1
383 1 20 ASN HA 1 95 TYR QE 3.340 . 4.730 3.108 2.301 3.774 . 0 0 "[ . 1 . 2]" 1
384 1 20 ASN QB 1 21 LEU H 4.800 . 5.300 3.113 2.316 3.922 . 0 0 "[ . 1 . 2]" 1
385 1 20 ASN QB 1 95 TYR QE 3.870 . 5.300 3.836 2.991 4.954 . 0 0 "[ . 1 . 2]" 1
386 1 21 LEU HB2 1 21 LEU QD 2.690 . 3.600 2.355 2.136 2.675 . 0 0 "[ . 1 . 2]" 1
387 1 21 LEU HB3 1 21 LEU QD 2.810 . 3.800 2.227 2.120 2.445 . 0 0 "[ . 1 . 2]" 1
388 1 22 GLU HA 1 22 GLU HB3 2.690 . 3.600 2.545 2.329 2.965 . 0 0 "[ . 1 . 2]" 1
389 1 22 GLU HA 1 22 GLU HB2 2.810 . 3.800 2.288 2.164 2.449 . 0 0 "[ . 1 . 2]" 1
390 1 22 GLU HA 1 22 GLU QG 3.050 . 4.210 3.419 2.903 3.588 . 0 0 "[ . 1 . 2]" 1
391 1 22 GLU HA 1 23 SER H 3.400 . 4.840 3.614 3.522 3.769 . 0 0 "[ . 1 . 2]" 1
392 1 22 GLU HB3 1 22 GLU QG 3.460 . 4.950 2.303 2.155 2.531 . 0 0 "[ . 1 . 2]" 1
393 1 22 GLU HB2 1 22 GLU QG 3.400 . 4.840 2.467 2.314 2.607 . 0 0 "[ . 1 . 2]" 1
394 1 23 SER H 1 23 SER QB 3.510 . 4.340 2.581 2.163 3.202 . 0 0 "[ . 1 . 2]" 1
395 1 21 LEU H 1 23 SER H 3.750 . 5.300 4.089 3.991 4.532 . 0 0 "[ . 1 . 2]" 1
396 1 24 TYR HB2 1 95 TYR QE 3.050 . 4.210 2.585 2.275 2.973 . 0 0 "[ . 1 . 2]" 1
397 1 24 TYR HB3 1 95 TYR QE 3.570 . 5.170 4.095 3.942 4.256 . 0 0 "[ . 1 . 2]" 1
398 1 24 TYR QD 1 27 LEU HG 3.510 . 5.050 3.277 1.975 4.472 . 0 0 "[ . 1 . 2]" 1
399 1 24 TYR QE 1 95 TYR QD 3.830 . 5.300 4.087 3.412 4.529 . 0 0 "[ . 1 . 2]" 1
400 1 25 GLN HA 1 25 GLN QB 3.020 . 4.160 2.124 2.081 2.349 . 0 0 "[ . 1 . 2]" 1
401 1 25 GLN HA 1 25 GLN HG3 3.320 . 4.700 3.926 3.830 4.264 . 0 0 "[ . 1 . 2]" 1
402 1 25 GLN HA 1 25 GLN HG2 3.340 . 4.730 3.729 3.218 3.864 . 0 0 "[ . 1 . 2]" 1
403 1 25 GLN H 1 25 GLN HG3 3.510 . 5.050 3.374 3.086 3.854 . 0 0 "[ . 1 . 2]" 1
404 1 25 GLN QB 1 25 GLN HG2 2.990 . 4.110 2.451 2.407 2.613 . 0 0 "[ . 1 . 2]" 1
405 1 25 GLN H 1 25 GLN HG2 3.510 . 5.050 2.181 1.904 3.462 0.066 2 0 "[ . 1 . 2]" 1
406 1 24 TYR H 1 25 GLN H 3.810 . 5.300 4.223 4.083 4.397 . 0 0 "[ . 1 . 2]" 1
407 1 26 PRO HA 1 27 LEU H 3.870 . 5.300 3.641 3.597 3.740 . 0 0 "[ . 1 . 2]" 1
408 1 24 TYR QE 1 27 LEU HB2 4.220 . 5.300 3.983 2.954 5.348 0.048 5 0 "[ . 1 . 2]" 1
409 1 27 LEU HB2 1 27 LEU QD 3.220 . 4.520 2.206 1.980 2.633 . 0 0 "[ . 1 . 2]" 1
410 1 27 LEU QD 1 88 ARG H 3.870 . 5.300 4.627 3.844 5.635 0.335 20 0 "[ . 1 . 2]" 1
411 1 24 TYR QE 1 27 LEU QD 3.710 . 5.300 3.479 2.642 4.507 . 0 0 "[ . 1 . 2]" 1
412 1 27 LEU HA 1 27 LEU QD 3.340 . 4.730 2.664 2.018 3.357 . 0 0 "[ . 1 . 2]" 1
413 1 24 TYR QE 1 27 LEU HG 3.490 . 5.010 4.408 3.395 5.112 0.102 6 0 "[ . 1 . 2]" 1
414 1 27 LEU HA 1 27 LEU HG 3.280 . 4.620 2.794 2.185 3.835 . 0 0 "[ . 1 . 2]" 1
415 1 28 MET HB3 1 29 GLU H 3.400 . 4.840 4.052 3.851 4.496 . 0 0 "[ . 1 . 2]" 1
416 1 28 MET HB2 1 28 MET QG 2.930 . 4.000 2.335 2.201 2.585 . 0 0 "[ . 1 . 2]" 1
417 1 28 MET HB2 1 29 GLU H 3.400 . 4.840 3.246 2.815 4.156 . 0 0 "[ . 1 . 2]" 1
418 1 28 MET HB3 1 28 MET QG 3.400 . 4.840 2.364 2.177 2.467 . 0 0 "[ . 1 . 2]" 1
419 1 27 LEU HG 1 28 MET H 3.510 . 5.050 4.686 3.550 5.110 0.060 10 0 "[ . 1 . 2]" 1
420 1 28 MET QG 1 29 GLU QG 3.630 . 5.280 4.801 2.442 7.230 1.950 12 3 "[ . * 1 + . - 2]" 1
421 1 29 GLU HA 1 29 GLU QG 2.780 . 3.750 2.772 2.440 3.401 . 0 0 "[ . 1 . 2]" 1
422 1 30 MET HA 1 30 MET HG2 3.510 . 5.050 3.234 2.363 3.736 . 0 0 "[ . 1 . 2]" 1
423 1 30 MET HA 1 31 VAL H 3.340 . 4.730 3.655 3.584 3.766 . 0 0 "[ . 1 . 2]" 1
424 1 29 GLU QG 1 30 MET H 3.400 . 4.840 3.927 2.781 4.223 . 0 0 "[ . 1 . 2]" 1
425 1 30 MET QB 1 30 MET HG2 3.460 . 4.950 2.300 2.108 2.458 . 0 0 "[ . 1 . 2]" 1
426 1 31 VAL H 1 31 VAL HA 2.930 . 4.000 3.065 3.025 3.112 . 0 0 "[ . 1 . 2]" 1
427 1 31 VAL H 1 31 VAL HB 3.160 . 4.410 3.375 2.407 3.923 . 0 0 "[ . 1 . 2]" 1
428 1 31 VAL HB 1 31 VAL QG 3.010 . 4.000 1.939 1.892 1.961 . 0 0 "[ . 1 . 2]" 1
429 1 31 VAL H 1 31 VAL QG 2.810 . 3.800 2.215 1.988 2.947 . 0 0 "[ . 1 . 2]" 1
430 1 32 ASN QB 1 33 GLN H 3.630 . 5.280 2.840 2.353 3.816 . 0 0 "[ . 1 . 2]" 1
431 1 34 VAL HA 1 34 VAL MG1 2.930 . 4.000 3.034 2.212 3.304 . 0 0 "[ . 1 . 2]" 1
432 1 33 GLN H 1 34 VAL H 3.750 . 5.300 3.162 2.861 3.383 . 0 0 "[ . 1 . 2]" 1
433 1 35 THR HA 1 35 THR MG 3.250 . 4.570 3.273 3.253 3.293 . 0 0 "[ . 1 . 2]" 1
434 1 35 THR H 1 35 THR HA 2.690 . 3.600 2.950 2.915 2.995 . 0 0 "[ . 1 . 2]" 1
435 1 35 THR HA 1 36 GLU H 3.750 . 5.300 2.320 2.095 2.547 . 0 0 "[ . 1 . 2]" 1
436 1 35 THR HB 1 35 THR MG 2.930 . 4.000 2.175 2.155 2.189 . 0 0 "[ . 1 . 2]" 1
437 1 35 THR H 1 36 GLU H 4.160 . 5.300 4.429 4.283 4.540 . 0 0 "[ . 1 . 2]" 1
438 1 40 LYS HA 1 40 LYS HB3 2.810 . 3.800 2.443 2.181 2.664 . 0 0 "[ . 1 . 2]" 1
439 1 40 LYS HB3 1 41 ASP H 4.100 . 5.300 4.259 4.054 4.647 . 0 0 "[ . 1 . 2]" 1
440 1 40 LYS HA 1 40 LYS HB2 2.810 . 3.800 2.421 2.099 3.054 . 0 0 "[ . 1 . 2]" 1
441 1 40 LYS HB2 1 41 ASP H 4.100 . 5.300 4.189 3.108 4.631 . 0 0 "[ . 1 . 2]" 1
442 1 40 LYS HA 1 40 LYS QE 3.510 . 5.050 4.503 3.853 5.152 0.102 19 0 "[ . 1 . 2]" 1
443 1 40 LYS HB2 1 40 LYS QE 3.510 . 5.050 3.954 3.598 4.430 . 0 0 "[ . 1 . 2]" 1
444 1 40 LYS HA 1 40 LYS QG 2.980 . 4.090 3.356 2.732 3.587 . 0 0 "[ . 1 . 2]" 1
445 1 40 LYS QE 1 40 LYS QG 2.930 . 4.000 2.482 2.058 2.969 . 0 0 "[ . 1 . 2]" 1
446 1 40 LYS QG 1 41 ASP H 3.980 . 5.300 3.630 2.443 4.354 . 0 0 "[ . 1 . 2]" 1
447 1 41 ASP HA 1 41 ASP QB 3.200 . 4.300 2.275 2.156 2.462 . 0 0 "[ . 1 . 2]" 1
448 1 41 ASP QB 1 42 ASP H 3.750 . 5.300 3.952 3.530 4.151 . 0 0 "[ . 1 . 2]" 1
449 1 42 ASP HA 1 42 ASP HB2 2.930 . 4.000 3.018 2.407 3.096 . 0 0 "[ . 1 . 2]" 1
450 1 42 ASP HB3 1 46 TYR QE 3.690 . 5.300 5.029 2.910 5.422 0.122 15 0 "[ . 1 . 2]" 1
451 1 42 ASP HB2 1 46 TYR QE 3.690 . 5.300 3.920 2.921 5.311 0.011 18 0 "[ . 1 . 2]" 1
452 1 39 GLY H 1 42 ASP H 3.920 . 5.300 5.280 4.957 5.452 0.152 4 0 "[ . 1 . 2]" 1
453 1 43 PRO HB2 1 43 PRO HD3 3.570 . 5.170 3.897 3.791 4.158 . 0 0 "[ . 1 . 2]" 1
454 1 43 PRO HD3 1 43 PRO QG 3.280 . 4.620 2.271 2.231 2.334 . 0 0 "[ . 1 . 2]" 1
455 1 43 PRO HB3 1 43 PRO HD2 3.670 . 5.300 3.855 3.837 3.913 . 0 0 "[ . 1 . 2]" 1
456 1 43 PRO HB2 1 43 PRO HD2 3.920 . 5.300 3.307 2.692 4.192 . 0 0 "[ . 1 . 2]" 1
457 1 43 PRO HD2 1 43 PRO QG 3.360 . 4.770 2.295 2.193 2.373 . 0 0 "[ . 1 . 2]" 1
458 1 43 PRO HA 1 43 PRO QG 2.890 . 3.930 3.152 2.649 3.623 . 0 0 "[ . 1 . 2]" 1
459 1 44 TYR HA 1 44 TYR QD 2.870 . 3.900 2.918 2.324 3.217 . 0 0 "[ . 1 . 2]" 1
460 1 44 TYR HA 1 46 TYR QD 3.160 . 4.410 2.196 1.938 3.077 . 0 0 "[ . 1 . 2]" 1
461 1 44 TYR HB3 1 44 TYR QD 3.280 . 4.620 2.323 2.160 2.579 . 0 0 "[ . 1 . 2]" 1
462 1 44 TYR HB2 1 44 TYR QD 3.340 . 4.730 2.576 2.304 2.796 . 0 0 "[ . 1 . 2]" 1
463 1 44 TYR HB3 1 45 PRO HA 3.570 . 5.170 2.664 2.039 3.441 . 0 0 "[ . 1 . 2]" 1
464 1 44 TYR HB2 1 45 PRO HA 3.830 . 5.300 4.150 3.662 4.689 . 0 0 "[ . 1 . 2]" 1
465 1 45 PRO HA 1 45 PRO QB 3.920 . 5.300 2.253 2.231 2.296 . 0 0 "[ . 1 . 2]" 1
466 1 45 PRO QB 1 46 TYR H 3.280 . 4.620 3.126 3.006 3.227 . 0 0 "[ . 1 . 2]" 1
467 1 31 VAL QG 1 46 TYR HA 3.420 . 4.880 2.200 1.789 3.321 0.171 17 0 "[ . 1 . 2]" 1
468 1 46 TYR HA 1 46 TYR QD 3.510 . 5.050 3.746 3.653 3.833 . 0 0 "[ . 1 . 2]" 1
469 1 46 TYR HA 1 46 TYR QB 3.700 . 5.300 2.195 2.130 2.267 . 0 0 "[ . 1 . 2]" 1
470 1 46 TYR QB 1 46 TYR QE 3.870 . 5.300 3.919 3.841 3.984 . 0 0 "[ . 1 . 2]" 1
471 1 46 TYR QB 1 46 TYR QD 3.320 . 4.700 2.147 2.084 2.258 . 0 0 "[ . 1 . 2]" 1
472 1 44 TYR QD 1 46 TYR QE 3.400 . 4.840 3.131 2.564 3.777 . 0 0 "[ . 1 . 2]" 1
473 1 46 TYR H 1 46 TYR QD 3.630 . 5.280 2.921 2.391 3.739 . 0 0 "[ . 1 . 2]" 1
474 1 47 VAL HA 1 47 VAL QG 2.730 . 3.660 2.192 2.067 2.556 . 0 0 "[ . 1 . 2]" 1
475 1 47 VAL HB 1 47 VAL QG 3.010 . 4.140 1.950 1.938 1.963 . 0 0 "[ . 1 . 2]" 1
476 1 32 ASN H 1 47 VAL H 4.040 . 5.300 5.141 4.703 5.385 0.085 12 0 "[ . 1 . 2]" 1
477 1 46 TYR QE 1 47 VAL H 4.220 . 5.300 5.201 4.735 5.399 0.099 19 0 "[ . 1 . 2]" 1
478 1 46 TYR QD 1 48 VAL QG 2.850 . 3.870 2.978 2.262 3.832 . 0 0 "[ . 1 . 2]" 1
479 1 46 TYR QE 1 48 VAL QG 3.080 . 4.270 2.696 2.022 3.357 . 0 0 "[ . 1 . 2]" 1
480 1 48 VAL HA 1 48 VAL QG 3.020 . 3.900 2.251 2.077 2.335 . 0 0 "[ . 1 . 2]" 1
481 1 48 VAL HB 1 48 VAL QG 3.430 . 4.300 1.927 1.898 1.941 0.062 11 0 "[ . 1 . 2]" 1
482 1 48 VAL MG1 1 48 VAL MG2 2.340 . 3.030 2.175 2.092 2.261 . 0 0 "[ . 1 . 2]" 1
483 1 48 VAL QG 1 74 TRP HE1 3.630 . 5.280 4.953 4.582 5.179 . 0 0 "[ . 1 . 2]" 1
484 1 46 TYR QD 1 48 VAL H 3.870 . 5.300 4.817 4.034 5.275 . 0 0 "[ . 1 . 2]" 1
485 1 46 TYR QE 1 48 VAL H 4.100 . 5.300 5.214 4.896 5.370 0.070 14 0 "[ . 1 . 2]" 1
486 1 47 VAL QG 1 48 VAL H 3.570 . 4.620 2.507 2.294 2.682 . 0 0 "[ . 1 . 2]" 1
487 1 48 VAL H 1 48 VAL HA 2.990 . 4.110 2.978 2.935 3.007 . 0 0 "[ . 1 . 2]" 1
488 1 48 VAL H 1 48 VAL QG 3.340 . 4.730 2.303 2.095 3.013 . 0 0 "[ . 1 . 2]" 1
489 1 49 ILE HA 1 72 HIS HD2 3.870 . 5.300 3.357 2.905 3.886 . 0 0 "[ . 1 . 2]" 1
490 1 49 ILE HA 1 49 ILE MG 2.930 . 4.000 2.473 2.171 3.052 . 0 0 "[ . 1 . 2]" 1
491 1 49 ILE H 1 49 ILE MG 3.280 . 4.620 3.849 3.548 3.934 . 0 0 "[ . 1 . 2]" 1
492 1 50 GLY H 1 70 ASP H . 2.800 3.800 3.406 3.144 3.671 . 0 0 "[ . 1 . 2]" 1
493 1 51 ASP HB3 1 52 GLN H 3.870 . 5.300 3.892 2.518 4.402 . 0 0 "[ . 1 . 2]" 1
494 1 51 ASP HB2 1 52 GLN H 3.980 . 5.300 4.033 2.574 4.611 . 0 0 "[ . 1 . 2]" 1
495 1 52 GLN HA 1 53 SER H 3.050 . 4.210 2.319 2.132 2.735 . 0 0 "[ . 1 . 2]" 1
496 1 52 GLN H 1 52 GLN QB 3.400 . 4.840 2.485 2.114 3.178 . 0 0 "[ . 1 . 2]" 1
497 1 52 GLN QB 1 53 SER H 3.510 . 5.050 3.406 2.780 3.829 . 0 0 "[ . 1 . 2]" 1
498 1 66 ASN HB3 1 67 ILE H 3.510 . 5.050 3.274 2.236 4.219 . 0 0 "[ . 1 . 2]" 1
499 1 66 ASN H 1 66 ASN HB3 3.870 . 5.300 3.526 2.518 3.987 . 0 0 "[ . 1 . 2]" 1
500 1 66 ASN H 1 66 ASN HB2 4.100 . 5.300 3.302 2.517 4.120 . 0 0 "[ . 1 . 2]" 1
501 1 67 ILE H 1 67 ILE HB 3.630 . 5.280 2.682 2.312 3.355 . 0 0 "[ . 1 . 2]" 1
502 1 67 ILE HB 1 67 ILE MD 3.160 . 4.410 2.575 2.058 3.265 . 0 0 "[ . 1 . 2]" 1
503 1 67 ILE MD 1 67 ILE QG 3.160 . 4.410 1.925 1.865 1.972 0.105 7 0 "[ . 1 . 2]" 1
504 1 13 LEU MD2 1 67 ILE MG 2.990 . 4.110 2.650 1.855 3.994 0.015 18 0 "[ . 1 . 2]" 1
505 1 67 ILE H 1 67 ILE MD 3.980 . 5.300 2.585 2.217 4.379 . 0 0 "[ . 1 . 2]" 1
506 1 68 THR HA 1 132 PHE QD 3.920 . 5.300 3.950 3.113 5.160 . 0 0 "[ . 1 . 2]" 1
507 1 68 THR H 1 68 THR MG 3.870 . 5.300 3.156 2.265 3.984 . 0 0 "[ . 1 . 2]" 1
508 1 69 MET H 1 69 MET HB3 3.870 . 5.300 3.151 2.453 3.868 . 0 0 "[ . 1 . 2]" 1
509 1 69 MET H 1 130 VAL QG 4.220 . 5.300 3.978 3.116 4.804 . 0 0 "[ . 1 . 2]" 1
510 1 70 ASP HA 1 71 PHE QD 3.400 . 4.840 3.693 2.973 4.390 . 0 0 "[ . 1 . 2]" 1
511 1 70 ASP HA 1 71 PHE QE 3.980 . 5.300 4.334 3.726 5.164 . 0 0 "[ . 1 . 2]" 1
512 1 70 ASP HB3 1 71 PHE H 4.100 . 5.300 2.901 2.251 3.989 . 0 0 "[ . 1 . 2]" 1
513 1 71 PHE QB 1 71 PHE QD 3.350 . 4.620 2.157 2.098 2.293 . 0 0 "[ . 1 . 2]" 1
514 1 17 THR MG 1 71 PHE QD 3.400 . 4.840 4.146 2.288 4.881 0.041 4 0 "[ . 1 . 2]" 1
515 1 17 THR HB 1 71 PHE QE 3.280 . 4.620 3.555 2.509 4.653 0.033 6 0 "[ . 1 . 2]" 1
516 1 71 PHE H 1 71 PHE QB 3.980 . 5.300 3.207 2.678 3.502 . 0 0 "[ . 1 . 2]" 1
517 1 71 PHE H 1 71 PHE QE 3.980 . 5.300 4.171 3.827 4.923 . 0 0 "[ . 1 . 2]" 1
518 1 72 HIS HA 1 72 HIS HD2 4.100 . 5.300 4.163 3.773 4.610 . 0 0 "[ . 1 . 2]" 1
519 1 72 HIS HA 1 127 ILE MD 3.870 . 5.300 4.056 2.345 5.083 . 0 0 "[ . 1 . 2]" 1
520 1 72 HIS HA 1 127 ILE QG 3.360 . 4.770 3.240 2.707 4.424 . 0 0 "[ . 1 . 2]" 1
521 1 48 VAL H 1 72 HIS HB3 3.870 . 5.300 4.828 4.336 5.177 . 0 0 "[ . 1 . 2]" 1
522 1 72 HIS HB3 1 72 HIS HD2 3.570 . 5.170 4.030 3.970 4.099 . 0 0 "[ . 1 . 2]" 1
523 1 72 HIS HB3 1 74 TRP HE1 3.510 . 5.050 3.643 2.335 4.487 . 0 0 "[ . 1 . 2]" 1
524 1 72 HIS HB3 1 127 ILE MD 4.100 . 5.300 4.684 3.584 5.397 0.097 15 0 "[ . 1 . 2]" 1
525 1 48 VAL H 1 72 HIS HB2 4.100 . 5.300 3.363 3.002 3.624 . 0 0 "[ . 1 . 2]" 1
526 1 72 HIS HB2 1 72 HIS HD2 3.460 . 4.950 2.910 2.756 3.174 . 0 0 "[ . 1 . 2]" 1
527 1 72 HIS HB2 1 74 TRP HE1 3.630 . 5.280 4.822 3.817 5.139 . 0 0 "[ . 1 . 2]" 1
528 1 48 VAL QG 1 72 HIS HD2 3.590 . 5.200 2.802 2.263 3.354 . 0 0 "[ . 1 . 2]" 1
529 1 48 VAL H 1 72 HIS HD2 4.330 . 5.300 4.792 4.582 5.117 . 0 0 "[ . 1 . 2]" 1
530 1 49 ILE H 1 72 HIS HD2 3.810 . 5.300 4.932 4.546 5.340 0.040 16 0 "[ . 1 . 2]" 1
531 1 72 HIS HE1 1 127 ILE MG 3.510 . 5.050 4.979 4.635 5.122 0.072 1 0 "[ . 1 . 2]" 1
532 1 71 PHE QD 1 72 HIS H 3.980 . 5.300 4.711 4.250 4.866 . 0 0 "[ . 1 . 2]" 1
533 1 72 HIS H 1 72 HIS HD2 3.750 . 5.300 2.553 2.295 2.979 . 0 0 "[ . 1 . 2]" 1
534 1 47 VAL HA 1 73 VAL HA . . 2.800 2.622 2.273 2.807 0.007 19 0 "[ . 1 . 2]" 1
535 1 48 VAL H 1 73 VAL HA 3.870 . 5.300 3.815 3.426 4.067 . 0 0 "[ . 1 . 2]" 1
536 1 73 VAL HA 1 73 VAL MG1 2.810 . 3.800 2.607 2.084 3.304 . 0 0 "[ . 1 . 2]" 1
537 1 73 VAL HA 1 73 VAL MG2 2.810 . 3.800 2.628 2.281 3.305 . 0 0 "[ . 1 . 2]" 1
538 1 47 VAL HA 1 73 VAL MG2 3.250 . 4.570 4.026 3.289 5.411 0.841 12 3 "[ -. *1 + . 2]" 1
539 1 44 TYR QE 1 74 TRP QB 3.280 . 4.300 2.130 1.975 2.467 . 0 0 "[ . 1 . 2]" 1
540 1 46 TYR QE 1 74 TRP QB 4.220 . 5.300 3.447 2.114 5.143 . 0 0 "[ . 1 . 2]" 1
541 1 74 TRP QB 1 74 TRP HE3 3.280 . 4.620 2.450 2.306 2.627 . 0 0 "[ . 1 . 2]" 1
542 1 74 TRP QB 1 74 TRP HD1 3.400 . 4.620 2.683 2.559 2.784 . 0 0 "[ . 1 . 2]" 1
543 1 44 TYR QE 1 74 TRP H 3.980 . 5.300 5.040 4.318 5.401 0.101 2 0 "[ . 1 . 2]" 1
544 1 74 TRP H 1 74 TRP HZ3 3.050 . 4.210 4.189 4.068 4.304 0.094 6 0 "[ . 1 . 2]" 1
545 1 76 GLY HA3 1 77 THR H 3.870 . 5.300 3.211 2.280 3.629 . 0 0 "[ . 1 . 2]" 1
546 1 80 ALA HA 1 80 ALA MB 2.460 . 3.220 2.171 2.156 2.190 . 0 0 "[ . 1 . 2]" 1
547 1 81 GLU H 1 81 GLU HB3 3.510 . 5.050 2.932 2.397 3.628 . 0 0 "[ . 1 . 2]" 1
548 1 81 GLU HA 1 81 GLU HB2 2.850 . 3.870 2.683 2.422 3.074 . 0 0 "[ . 1 . 2]" 1
549 1 81 GLU H 1 81 GLU HB2 3.280 . 4.620 2.420 2.302 2.606 . 0 0 "[ . 1 . 2]" 1
550 1 81 GLU HA 1 81 GLU HG3 3.100 . 4.300 3.085 2.331 3.814 . 0 0 "[ . 1 . 2]" 1
551 1 81 GLU H 1 81 GLU HG3 3.400 . 4.840 4.215 3.648 4.562 . 0 0 "[ . 1 . 2]" 1
552 1 81 GLU HA 1 81 GLU HG2 3.050 . 4.210 3.382 2.478 3.857 . 0 0 "[ . 1 . 2]" 1
553 1 81 GLU H 1 81 GLU HG2 3.750 . 5.300 3.962 2.204 4.622 . 0 0 "[ . 1 . 2]" 1
554 1 82 ALA HA 1 83 GLN H 3.280 . 4.620 3.563 3.506 3.619 . 0 0 "[ . 1 . 2]" 1
555 1 81 GLU HA 1 84 ASP HB3 3.200 . 4.480 3.488 2.288 4.006 . 0 0 "[ . 1 . 2]" 1
556 1 84 ASP HB3 1 85 ILE H 3.870 . 5.300 3.393 2.603 3.814 . 0 0 "[ . 1 . 2]" 1
557 1 85 ILE HA 1 85 ILE QG 3.080 . 4.260 3.324 3.290 3.362 . 0 0 "[ . 1 . 2]" 1
558 1 85 ILE HA 1 85 ILE MG 3.000 . 4.120 2.216 2.088 2.321 . 0 0 "[ . 1 . 2]" 1
559 1 85 ILE HB 1 85 ILE MG 3.050 . 4.210 2.166 2.149 2.180 . 0 0 "[ . 1 . 2]" 1
560 1 85 ILE QG 1 85 ILE MG 2.930 . 4.000 2.484 2.312 2.655 . 0 0 "[ . 1 . 2]" 1
561 1 86 SER HA 1 87 SER H 3.750 . 5.300 3.614 3.518 3.661 . 0 0 "[ . 1 . 2]" 1
562 1 85 ILE H 1 86 SER H 3.340 . 4.730 2.840 2.690 2.986 . 0 0 "[ . 1 . 2]" 1
563 1 87 SER QB 1 88 ARG H 3.400 . 4.840 2.882 2.540 3.689 . 0 0 "[ . 1 . 2]" 1
564 1 86 SER H 1 87 SER H 3.280 . 4.620 2.777 2.644 2.890 . 0 0 "[ . 1 . 2]" 1
565 1 24 TYR QE 1 88 ARG HA 3.590 . 5.200 2.613 2.151 3.246 . 0 0 "[ . 1 . 2]" 1
566 1 24 TYR QE 1 88 ARG QB 4.220 . 5.300 2.707 1.965 4.117 0.035 18 0 "[ . 1 . 2]" 1
567 1 88 ARG HA 1 88 ARG QB 3.080 . 4.260 2.406 2.075 2.569 . 0 0 "[ . 1 . 2]" 1
568 1 88 ARG QD 1 88 ARG QG 3.400 . 4.840 2.111 2.022 2.155 . 0 0 "[ . 1 . 2]" 1
569 1 88 ARG HA 1 88 ARG QG 2.960 . 4.050 2.800 2.264 3.570 . 0 0 "[ . 1 . 2]" 1
570 1 88 ARG H 1 89 VAL QG 3.980 . 5.300 4.544 3.920 4.933 . 0 0 "[ . 1 . 2]" 1
571 1 89 VAL HB 1 89 VAL QG 2.930 . 4.000 1.938 1.916 1.967 0.004 16 0 "[ . 1 . 2]" 1
572 1 86 SER QB 1 89 VAL QG 3.630 . 5.280 4.006 3.394 4.557 . 0 0 "[ . 1 . 2]" 1
573 1 71 PHE QB 1 89 VAL QG 3.510 . 5.050 3.225 2.608 4.006 . 0 0 "[ . 1 . 2]" 1
574 1 71 PHE QD 1 89 VAL QG 3.440 . 4.920 3.286 2.634 3.838 . 0 0 "[ . 1 . 2]" 1
575 1 71 PHE QE 1 89 VAL QG 3.630 . 4.620 3.550 2.125 4.247 . 0 0 "[ . 1 . 2]" 1
576 1 89 VAL HA 1 89 VAL QG 3.070 . 3.900 2.123 2.074 2.227 . 0 0 "[ . 1 . 2]" 1
577 1 89 VAL MG1 1 89 VAL MG2 2.670 . 3.560 2.094 1.998 2.179 . 0 0 "[ . 1 . 2]" 1
578 1 90 LEU HA 1 90 LEU QB 3.160 . 4.410 2.363 2.020 2.569 . 0 0 "[ . 1 . 2]" 1
579 1 90 LEU QB 1 91 GLU H 3.400 . 4.840 2.932 2.366 3.843 . 0 0 "[ . 1 . 2]" 1
580 1 90 LEU QB 1 90 LEU QD 2.580 . 3.410 1.986 1.807 2.115 . 0 0 "[ . 1 . 2]" 1
581 1 90 LEU HA 1 90 LEU QD 3.280 . 4.620 2.694 2.265 3.476 . 0 0 "[ . 1 . 2]" 1
582 1 90 LEU QD 1 91 GLU H 4.100 . 5.300 3.340 2.194 4.100 . 0 0 "[ . 1 . 2]" 1
583 1 24 TYR QE 1 91 GLU HB3 3.940 . 5.300 3.215 2.497 3.592 . 0 0 "[ . 1 . 2]" 1
584 1 24 TYR QE 1 91 GLU HB2 3.900 . 5.300 4.816 4.216 5.224 . 0 0 "[ . 1 . 2]" 1
585 1 24 TYR QE 1 91 GLU QG 3.980 . 5.300 3.276 2.930 3.612 . 0 0 "[ . 1 . 2]" 1
586 1 91 GLU HA 1 91 GLU QG 3.340 . 4.730 2.627 2.292 3.109 . 0 0 "[ . 1 . 2]" 1
587 1 91 GLU HB3 1 91 GLU QG 3.750 . 5.300 2.326 2.211 2.406 . 0 0 "[ . 1 . 2]" 1
588 1 24 TYR QE 1 91 GLU H 3.920 . 5.300 5.131 4.678 5.356 0.056 18 0 "[ . 1 . 2]" 1
589 1 92 ALA HA 1 93 LEU H 3.920 . 5.300 3.626 3.504 3.717 . 0 0 "[ . 1 . 2]" 1
590 1 92 ALA HA 1 95 TYR QE 3.050 . 4.210 4.231 3.782 4.353 0.143 9 0 "[ . 1 . 2]" 1
591 1 89 VAL HA 1 92 ALA MB 3.130 . 4.360 2.494 2.345 2.695 . 0 0 "[ . 1 . 2]" 1
592 1 92 ALA HA 1 92 ALA MB 2.870 . 3.900 2.133 2.105 2.164 . 0 0 "[ . 1 . 2]" 1
593 1 24 TYR QE 1 92 ALA H 3.870 . 5.300 4.006 3.613 4.451 . 0 0 "[ . 1 . 2]" 1
594 1 93 LEU HA 1 94 THR H 3.630 . 5.280 3.572 3.470 3.650 . 0 0 "[ . 1 . 2]" 1
595 1 93 LEU HB2 1 93 LEU QD 3.540 . 4.840 2.165 2.049 2.313 . 0 0 "[ . 1 . 2]" 1
596 1 71 PHE QD 1 93 LEU QD 3.720 . 3.800 3.414 2.886 3.746 . 0 0 "[ . 1 . 2]" 1
597 1 90 LEU HA 1 93 LEU QD 3.370 . 4.790 2.403 1.971 2.920 . 0 0 "[ . 1 . 2]" 1
598 1 90 LEU H 1 93 LEU QD 3.510 . 5.050 4.039 3.464 4.442 . 0 0 "[ . 1 . 2]" 1
599 1 93 LEU HA 1 93 LEU QD 3.600 . 3.900 2.276 2.020 3.176 . 0 0 "[ . 1 . 2]" 1
600 1 93 LEU HB3 1 93 LEU QD 3.690 . 5.300 2.217 2.086 2.497 . 0 0 "[ . 1 . 2]" 1
601 1 93 LEU MD1 1 93 LEU MD2 2.690 . 3.600 2.132 2.077 2.173 . 0 0 "[ . 1 . 2]" 1
602 1 93 LEU HA 1 93 LEU HG 3.400 . 4.840 2.889 2.180 3.449 . 0 0 "[ . 1 . 2]" 1
603 1 94 THR HA 1 94 THR MG 2.890 . 3.930 1.974 1.890 2.047 . 0 0 "[ . 1 . 2]" 1
604 1 95 TYR HA 1 95 TYR QB 3.250 . 4.460 2.244 2.136 2.357 . 0 0 "[ . 1 . 2]" 1
605 1 24 TYR QE 1 95 TYR QB 3.810 . 5.300 3.822 2.817 4.253 . 0 0 "[ . 1 . 2]" 1
606 1 95 TYR QB 1 95 TYR QD 3.630 . 4.660 2.067 1.995 2.130 . 0 0 "[ . 1 . 2]" 1
607 1 96 LYS HA 1 96 LYS QB 3.160 . 4.410 2.266 2.075 2.538 . 0 0 "[ . 1 . 2]" 1
608 1 96 LYS HA 1 96 LYS QD 3.750 . 5.300 3.759 2.890 4.385 . 0 0 "[ . 1 . 2]" 1
609 1 96 LYS HA 1 96 LYS QG 3.750 . 5.300 3.238 2.550 3.582 . 0 0 "[ . 1 . 2]" 1
610 1 95 TYR QD 1 96 LYS QB 3.400 . 4.840 3.038 2.392 3.810 . 0 0 "[ . 1 . 2]" 1
611 1 96 LYS H 1 96 LYS QD 3.980 . 5.300 4.796 4.144 5.144 . 0 0 "[ . 1 . 2]" 1
612 1 96 LYS QD 1 96 LYS QE 3.230 . 4.500 2.124 2.008 2.172 . 0 0 "[ . 1 . 2]" 1
613 1 95 TYR QD 1 96 LYS QG 3.870 . 5.300 3.978 3.038 4.384 . 0 0 "[ . 1 . 2]" 1
614 1 95 TYR QE 1 96 LYS QG 3.810 . 5.300 3.347 2.811 3.984 . 0 0 "[ . 1 . 2]" 1
615 1 96 LYS QE 1 96 LYS QG 3.590 . 5.130 2.294 2.115 2.564 . 0 0 "[ . 1 . 2]" 1
616 1 98 LEU H 1 98 LEU HB2 4.100 . 5.300 2.818 2.498 3.634 . 0 0 "[ . 1 . 2]" 1
617 1 98 LEU HB3 1 98 LEU QD 3.570 . 4.730 2.278 2.106 2.619 . 0 0 "[ . 1 . 2]" 1
618 1 98 LEU H 1 98 LEU QD 3.750 . 5.050 2.343 1.741 3.027 0.249 5 0 "[ . 1 . 2]" 1
619 1 98 LEU MD1 1 98 LEU MD2 2.690 . 3.600 2.148 2.075 2.266 . 0 0 "[ . 1 . 2]" 1
620 1 98 LEU QD 1 99 MET H 4.330 . 5.300 3.998 3.548 4.413 . 0 0 "[ . 1 . 2]" 1
621 1 98 LEU H 1 98 LEU HG 3.630 . 5.280 2.850 1.927 4.130 0.053 8 0 "[ . 1 . 2]" 1
622 1 99 MET HA 1 105 PHE H 3.870 . 5.300 3.798 3.375 4.606 . 0 0 "[ . 1 . 2]" 1
623 1 99 MET HB2 1 104 THR MG 3.400 . 4.840 3.260 2.374 4.764 . 0 0 "[ . 1 . 2]" 1
624 1 99 MET HA 1 99 MET HG3 4.100 . 5.300 2.519 2.318 2.748 . 0 0 "[ . 1 . 2]" 1
625 1 99 MET HG3 1 100 PHE H 4.100 . 5.300 3.199 2.738 4.406 . 0 0 "[ . 1 . 2]" 1
626 1 99 MET HA 1 99 MET HG2 3.980 . 5.300 2.980 2.722 3.199 . 0 0 "[ . 1 . 2]" 1
627 1 99 MET HB2 1 99 MET HG2 2.850 . 3.870 3.070 3.040 3.095 . 0 0 "[ . 1 . 2]" 1
628 1 99 MET HG2 1 104 THR MG 3.340 . 4.730 4.466 3.549 5.103 0.373 17 0 "[ . 1 . 2]" 1
629 1 100 PHE HA 1 100 PHE QD 2.930 . 4.000 2.449 2.274 2.758 . 0 0 "[ . 1 . 2]" 1
630 1 100 PHE HB3 1 100 PHE QD 3.240 . 4.550 2.293 2.253 2.362 . 0 0 "[ . 1 . 2]" 1
631 1 100 PHE HB2 1 100 PHE QD 3.220 . 4.520 2.540 2.444 2.616 . 0 0 "[ . 1 . 2]" 1
632 1 101 GLU HA 1 101 GLU HG2 3.460 . 4.950 3.226 2.427 3.884 . 0 0 "[ . 1 . 2]" 1
633 1 101 GLU HA 1 101 GLU HG3 3.670 . 5.300 3.685 3.081 3.893 . 0 0 "[ . 1 . 2]" 1
634 1 101 GLU HG2 1 102 GLY H 3.980 . 5.300 4.579 2.743 5.204 . 0 0 "[ . 1 . 2]" 1
635 1 100 PHE QE 1 101 GLU H 3.510 . 5.050 4.732 3.801 5.061 0.011 5 0 "[ . 1 . 2]" 1
636 1 101 GLU H 1 103 PHE H . 2.800 3.800 3.997 3.913 4.101 0.301 6 0 "[ . 1 . 2]" 1
637 1 102 GLY HA2 1 103 PHE H 3.630 . 5.280 3.288 3.120 3.445 . 0 0 "[ . 1 . 2]" 1
638 1 103 PHE HB3 1 103 PHE QD 2.990 . 4.110 2.493 2.245 2.786 . 0 0 "[ . 1 . 2]" 1
639 1 9 ALA HA 1 103 PHE QE 3.050 . 4.210 4.134 3.777 4.429 0.219 11 0 "[ . 1 . 2]" 1
640 1 103 PHE HB3 1 104 THR H 3.510 . 5.050 3.820 3.186 4.435 . 0 0 "[ . 1 . 2]" 1
641 1 104 THR HA 1 104 THR MG 3.130 . 4.360 2.297 2.144 3.260 . 0 0 "[ . 1 . 2]" 1
642 1 104 THR HB 1 104 THR MG 2.770 . 3.730 2.194 2.158 2.218 . 0 0 "[ . 1 . 2]" 1
643 1 104 THR H 1 104 THR HB 3.400 . 4.840 2.999 2.608 3.635 . 0 0 "[ . 1 . 2]" 1
644 1 104 THR H 1 104 THR MG 3.630 . 5.280 3.472 2.190 3.954 . 0 0 "[ . 1 . 2]" 1
645 1 105 PHE HA 1 105 PHE QD 3.510 . 5.050 3.432 2.888 3.661 . 0 0 "[ . 1 . 2]" 1
646 1 13 LEU MD1 1 105 PHE QB 3.870 . 5.300 3.826 2.856 4.258 . 0 0 "[ . 1 . 2]" 1
647 1 105 PHE HA 1 105 PHE QB 4.040 . 5.300 2.224 2.085 2.430 . 0 0 "[ . 1 . 2]" 1
648 1 105 PHE QB 1 105 PHE QD 3.510 . 4.840 2.137 2.090 2.166 . 0 0 "[ . 1 . 2]" 1
649 1 13 LEU MD1 1 105 PHE QD 3.590 . 5.200 3.726 2.221 4.604 . 0 0 "[ . 1 . 2]" 1
650 1 13 LEU MD2 1 105 PHE QD 3.870 . 5.300 2.563 2.150 3.260 . 0 0 "[ . 1 . 2]" 1
651 1 67 ILE MD 1 105 PHE QD 3.980 . 5.300 2.477 1.962 4.803 0.038 9 0 "[ . 1 . 2]" 1
652 1 13 LEU MD1 1 105 PHE QE 3.870 . 5.300 3.979 2.203 4.680 . 0 0 "[ . 1 . 2]" 1
653 1 13 LEU MD2 1 105 PHE QE 3.920 . 5.300 3.280 2.458 4.420 . 0 0 "[ . 1 . 2]" 1
654 1 67 ILE MD 1 105 PHE QE 3.750 . 5.300 3.513 2.251 4.690 . 0 0 "[ . 1 . 2]" 1
655 1 13 LEU MD1 1 105 PHE HZ 3.630 . 5.280 4.771 3.079 5.333 0.053 1 0 "[ . 1 . 2]" 1
656 1 13 LEU MD2 1 105 PHE HZ 3.400 . 4.840 4.025 2.872 5.305 0.465 13 0 "[ . 1 . 2]" 1
657 1 106 VAL HA 1 106 VAL QG 2.640 . 3.510 2.175 2.075 2.230 . 0 0 "[ . 1 . 2]" 1
658 1 106 VAL HA 1 107 ALA H 3.160 . 4.410 2.248 2.148 2.296 . 0 0 "[ . 1 . 2]" 1
659 1 106 VAL QG 1 107 ALA H 3.510 . 5.050 2.805 2.355 3.095 . 0 0 "[ . 1 . 2]" 1
660 1 107 ALA HA 1 130 VAL QG 3.630 . 5.280 3.675 2.718 4.908 . 0 0 "[ . 1 . 2]" 1
661 1 107 ALA HA 1 132 PHE HA . . 2.800 2.245 2.125 2.643 . 0 0 "[ . 1 . 2]" 1
662 1 107 ALA HA 1 133 THR H 4.220 . 5.300 3.797 3.548 4.177 . 0 0 "[ . 1 . 2]" 1
663 1 107 ALA HA 1 107 ALA MB 3.090 . 4.290 2.152 2.125 2.169 . 0 0 "[ . 1 . 2]" 1
664 1 107 ALA H 1 107 ALA MB 3.220 . 4.520 2.224 2.144 2.282 . 0 0 "[ . 1 . 2]" 1
665 1 108 LYS HA 1 108 LYS HB2 2.930 . 4.000 2.579 2.446 3.073 . 0 0 "[ . 1 . 2]" 1
666 1 108 LYS HA 1 108 LYS HG3 3.160 . 4.410 2.808 2.353 3.800 . 0 0 "[ . 1 . 2]" 1
667 1 108 LYS H 1 108 LYS HB2 3.400 . 4.840 2.868 2.371 3.333 . 0 0 "[ . 1 . 2]" 1
668 1 108 LYS H 1 130 VAL QG 3.870 . 5.300 3.640 2.701 4.459 . 0 0 "[ . 1 . 2]" 1
669 1 115 VAL HA 1 115 VAL MG1 2.990 . 4.110 2.662 2.200 3.292 . 0 0 "[ . 1 . 2]" 1
670 1 115 VAL HA 1 115 VAL MG2 3.050 . 4.210 2.634 2.271 3.277 . 0 0 "[ . 1 . 2]" 1
671 1 115 VAL HB 1 116 ILE H 3.750 . 5.300 3.993 3.043 4.495 . 0 0 "[ . 1 . 2]" 1
672 1 116 ILE HA 1 116 ILE HB 2.990 . 4.110 2.867 2.355 3.077 . 0 0 "[ . 1 . 2]" 1
673 1 116 ILE HA 1 116 ILE MG 2.580 . 3.410 2.516 2.165 3.278 . 0 0 "[ . 1 . 2]" 1
674 1 116 ILE HB 1 116 ILE MD 2.890 . 3.930 2.591 2.265 3.326 . 0 0 "[ . 1 . 2]" 1
675 1 116 ILE H 1 116 ILE MD 3.160 . 4.410 3.970 2.668 4.436 0.026 4 0 "[ . 1 . 2]" 1
676 1 116 ILE MD 1 117 THR H 3.750 . 5.300 4.328 2.307 5.313 0.013 13 0 "[ . 1 . 2]" 1
677 1 116 ILE H 1 116 ILE HG13 3.400 . 4.840 3.352 2.477 5.050 0.210 2 0 "[ . 1 . 2]" 1
678 1 116 ILE HB 1 116 ILE HG12 2.930 . 4.000 2.862 2.461 3.096 . 0 0 "[ . 1 . 2]" 1
679 1 116 ILE MD 1 116 ILE HG12 2.850 . 3.870 2.188 2.166 2.202 . 0 0 "[ . 1 . 2]" 1
680 1 116 ILE HG12 1 116 ILE MG 2.690 . 3.600 2.593 2.108 3.293 . 0 0 "[ . 1 . 2]" 1
681 1 116 ILE H 1 116 ILE HG12 3.630 . 5.280 3.688 2.208 5.015 . 0 0 "[ . 1 . 2]" 1
682 1 116 ILE HG12 1 117 THR H 3.750 . 5.300 4.521 2.575 5.373 0.073 5 0 "[ . 1 . 2]" 1
683 1 116 ILE MG 1 117 THR H 3.280 . 4.620 2.796 2.017 4.416 . 0 0 "[ . 1 . 2]" 1
684 1 115 VAL MG1 1 116 ILE H 3.050 . 4.210 3.574 2.547 4.231 0.021 5 0 "[ . 1 . 2]" 1
685 1 115 VAL MG2 1 116 ILE H 3.050 . 4.210 3.620 2.524 4.246 0.036 1 0 "[ . 1 . 2]" 1
686 1 117 THR HA 1 117 THR MG 2.690 . 3.600 2.516 2.237 3.280 . 0 0 "[ . 1 . 2]" 1
687 1 117 THR HB 1 118 ASP H 3.870 . 5.300 4.121 3.590 4.466 . 0 0 "[ . 1 . 2]" 1
688 1 117 THR H 1 117 THR MG 3.750 . 5.300 3.379 2.233 3.920 . 0 0 "[ . 1 . 2]" 1
689 1 119 THR HA 1 119 THR HB 2.670 . 3.560 2.732 2.424 3.057 . 0 0 "[ . 1 . 2]" 1
690 1 119 THR HA 1 119 THR MG 2.580 . 3.410 2.366 2.122 3.272 . 0 0 "[ . 1 . 2]" 1
691 1 119 THR HB 1 119 THR MG 2.460 . 3.220 2.189 2.176 2.211 . 0 0 "[ . 1 . 2]" 1
692 1 122 VAL HA 1 122 VAL HB 2.850 . 3.870 2.695 2.360 3.071 . 0 0 "[ . 1 . 2]" 1
693 1 122 VAL HA 1 122 VAL MG1 2.660 . 3.540 2.773 2.211 3.296 . 0 0 "[ . 1 . 2]" 1
694 1 122 VAL MG1 1 122 VAL MG2 2.110 . 2.670 2.127 2.075 2.184 . 0 0 "[ . 1 . 2]" 1
695 1 123 THR HB 1 124 LYS H 3.400 . 4.840 3.964 2.838 4.512 . 0 0 "[ . 1 . 2]" 1
696 1 73 VAL H 1 125 HIS HA 4.450 . 5.300 5.206 4.809 5.390 0.090 12 0 "[ . 1 . 2]" 1
697 1 73 VAL H 1 126 GLY H 4.220 . 5.300 3.429 3.100 3.651 . 0 0 "[ . 1 . 2]" 1
698 1 127 ILE HA 1 127 ILE MD 3.400 . 4.840 3.030 2.119 3.820 . 0 0 "[ . 1 . 2]" 1
699 1 127 ILE HA 1 127 ILE MG 3.130 . 4.360 3.272 3.239 3.298 . 0 0 "[ . 1 . 2]" 1
700 1 127 ILE H 1 127 ILE HB 3.400 . 4.840 2.996 2.600 3.276 . 0 0 "[ . 1 . 2]" 1
701 1 52 GLN QB 1 127 ILE MD 3.400 . 4.840 2.288 1.983 2.886 0.017 8 0 "[ . 1 . 2]" 1
702 1 52 GLN HG3 1 127 ILE MD 3.750 . 5.300 3.165 2.192 4.214 . 0 0 "[ . 1 . 2]" 1
703 1 72 HIS HE1 1 127 ILE MD 3.050 . 4.210 2.516 1.865 4.015 0.025 11 0 "[ . 1 . 2]" 1
704 1 127 ILE HB 1 127 ILE MD 3.100 . 4.300 3.022 2.387 3.348 . 0 0 "[ . 1 . 2]" 1
705 1 127 ILE HB 1 127 ILE QG 3.630 . 5.280 2.228 2.134 2.424 . 0 0 "[ . 1 . 2]" 1
706 1 127 ILE MD 1 127 ILE QG 2.500 . 3.280 1.928 1.894 1.959 . 0 0 "[ . 1 . 2]" 1
707 1 127 ILE HB 1 127 ILE MG 2.780 . 3.750 2.160 2.141 2.178 . 0 0 "[ . 1 . 2]" 1
708 1 127 ILE QG 1 127 ILE MG 2.750 . 3.700 2.346 2.122 2.589 . 0 0 "[ . 1 . 2]" 1
709 1 127 ILE H 1 127 ILE MD 3.920 . 5.300 4.469 4.085 4.782 . 0 0 "[ . 1 . 2]" 1
710 1 127 ILE H 1 127 ILE MG 3.630 . 5.280 2.335 2.089 2.736 . 0 0 "[ . 1 . 2]" 1
711 1 128 ILE HA 1 128 ILE MG 2.930 . 4.000 2.429 2.238 3.271 . 0 0 "[ . 1 . 2]" 1
712 1 128 ILE HB 1 128 ILE MG 2.340 . 3.030 2.198 2.138 2.221 . 0 0 "[ . 1 . 2]" 1
713 1 128 ILE HB 1 129 LYS H 4.100 . 5.300 4.357 4.069 4.533 . 0 0 "[ . 1 . 2]" 1
714 1 71 PHE QD 1 128 ILE MG 2.580 . 3.410 2.871 1.901 3.448 0.038 6 0 "[ . 1 . 2]" 1
715 1 71 PHE QE 1 128 ILE MG 2.640 . 3.510 2.694 2.056 3.596 0.086 9 0 "[ . 1 . 2]" 1
716 1 127 ILE MG 1 128 ILE H 3.810 . 5.300 4.070 3.721 4.380 . 0 0 "[ . 1 . 2]" 1
717 1 129 LYS HA 1 129 LYS HG3 3.750 . 5.300 3.213 2.383 4.210 . 0 0 "[ . 1 . 2]" 1
718 1 129 LYS HB3 1 130 VAL H 4.220 . 5.300 4.160 3.323 4.543 . 0 0 "[ . 1 . 2]" 1
719 1 129 LYS H 1 129 LYS HG2 3.630 . 5.280 4.061 2.149 4.683 . 0 0 "[ . 1 . 2]" 1
720 1 130 VAL HA 1 130 VAL QG 3.320 . 3.900 2.177 2.026 2.336 . 0 0 "[ . 1 . 2]" 1
721 1 107 ALA MB 1 130 VAL QG 3.120 . 4.330 2.583 1.993 3.398 . 0 0 "[ . 1 . 2]" 1
722 1 130 VAL HB 1 130 VAL QG 3.360 . 3.900 1.935 1.896 1.964 0.054 19 0 "[ . 1 . 2]" 1
723 1 130 VAL MG1 1 130 VAL MG2 2.720 . 3.650 2.113 2.049 2.193 . 0 0 "[ . 1 . 2]" 1
724 1 71 PHE QD 1 130 VAL H 3.980 . 5.300 5.167 4.323 5.398 0.098 20 0 "[ . 1 . 2]" 1
725 1 71 PHE QE 1 130 VAL H 3.630 . 5.280 4.393 3.863 5.295 0.015 6 0 "[ . 1 . 2]" 1
726 1 68 THR HA 1 131 ARG HA . . 2.800 2.557 2.288 2.855 0.055 15 0 "[ . 1 . 2]" 1
727 1 69 MET H 1 131 ARG HA 3.980 . 5.300 3.442 3.067 3.852 . 0 0 "[ . 1 . 2]" 1
728 1 107 ALA H 1 132 PHE HA 4.100 . 5.300 4.520 4.397 4.745 . 0 0 "[ . 1 . 2]" 1
729 1 132 PHE HA 1 132 PHE QD 3.510 . 5.050 3.337 2.991 3.570 . 0 0 "[ . 1 . 2]" 1
730 1 132 PHE HB2 1 132 PHE QD 2.810 . 3.800 2.518 2.317 2.832 . 0 0 "[ . 1 . 2]" 1
731 1 132 PHE HB3 1 132 PHE QD 2.930 . 4.000 2.341 2.209 2.469 . 0 0 "[ . 1 . 2]" 1
732 1 98 LEU QD 1 132 PHE QD 3.160 . 4.410 2.446 1.991 3.059 . 0 0 "[ . 1 . 2]" 1
733 1 130 VAL QG 1 132 PHE QD 3.710 . 5.300 3.291 2.791 3.992 . 0 0 "[ . 1 . 2]" 1
734 1 13 LEU MD2 1 132 PHE QE 3.690 . 5.300 3.657 2.993 4.573 . 0 0 "[ . 1 . 2]" 1
735 1 98 LEU QD 1 132 PHE QE 3.160 . 4.410 2.358 2.034 3.174 . 0 0 "[ . 1 . 2]" 1
736 1 130 VAL HB 1 132 PHE QE 3.360 . 4.770 3.503 1.965 4.817 0.047 2 0 "[ . 1 . 2]" 1
737 1 130 VAL QG 1 132 PHE QE 3.540 . 4.290 2.415 1.967 3.264 0.003 14 0 "[ . 1 . 2]" 1
738 1 98 LEU QD 1 132 PHE HZ 3.280 . 4.620 3.717 2.685 4.528 . 0 0 "[ . 1 . 2]" 1
739 1 130 VAL QG 1 132 PHE HZ 3.370 . 3.800 2.599 1.938 3.480 0.012 14 0 "[ . 1 . 2]" 1
740 1 67 ILE H 1 133 THR HA 3.980 . 5.300 3.580 3.266 4.162 . 0 0 "[ . 1 . 2]" 1
741 1 133 THR HA 1 133 THR MG 3.190 . 4.460 2.387 2.199 2.596 . 0 0 "[ . 1 . 2]" 1
742 1 133 THR HB 1 133 THR MG 2.870 . 3.900 2.201 2.179 2.225 . 0 0 "[ . 1 . 2]" 1
743 1 132 PHE QD 1 133 THR H 3.870 . 5.300 4.660 3.920 4.963 . 0 0 "[ . 1 . 2]" 1
744 1 133 THR H 1 134 ILE MG 4.100 . 5.300 4.814 4.167 5.326 0.026 19 0 "[ . 1 . 2]" 1
745 1 105 PHE HA 1 134 ILE MG 3.630 . 5.280 3.016 2.003 4.544 . 0 0 "[ . 1 . 2]" 1
746 1 39 GLY H 1 40 LYS QD 3.120 . 4.340 3.033 2.254 4.153 . 0 0 "[ . 1 . 2]" 1
747 1 39 GLY H 1 40 LYS H 3.530 . 5.090 2.106 1.883 2.556 0.087 19 0 "[ . 1 . 2]" 1
748 1 35 THR H 1 48 VAL HA 3.600 . 5.220 3.055 2.692 3.354 . 0 0 "[ . 1 . 2]" 1
749 1 31 VAL QG 1 33 GLN H 2.850 . 3.870 2.738 1.758 4.132 0.262 10 0 "[ . 1 . 2]" 1
750 1 32 ASN H 1 46 TYR HA 3.400 . 4.840 3.376 2.489 4.023 . 0 0 "[ . 1 . 2]" 1
751 1 90 LEU QD 1 92 ALA H 3.670 . 5.300 4.965 4.466 5.198 . 0 0 "[ . 1 . 2]" 1
752 1 16 ALA MB 1 99 MET H 3.120 . 4.340 2.892 2.259 3.515 . 0 0 "[ . 1 . 2]" 1
753 1 56 PRO HA 1 57 PHE H 3.600 . 5.220 2.258 2.051 2.399 . 0 0 "[ . 1 . 2]" 1
754 1 31 VAL QG 1 87 SER H 3.400 . 4.840 4.494 4.013 4.810 . 0 0 "[ . 1 . 2]" 1
755 1 13 LEU H 1 13 LEU HG 3.670 . 5.300 3.675 2.977 4.231 . 0 0 "[ . 1 . 2]" 1
756 1 13 LEU H 1 13 LEU HB3 3.800 . 5.300 2.249 1.968 2.691 0.022 16 0 "[ . 1 . 2]" 1
757 1 31 VAL HA 1 32 ASN H 2.720 . 3.640 2.232 2.058 2.396 . 0 0 "[ . 1 . 2]" 1
758 1 34 VAL HA 1 35 THR H 2.440 . 3.190 2.082 1.967 2.197 . 0 0 "[ . 1 . 2]" 1
759 1 24 TYR QD 1 27 LEU H 3.260 . 4.590 3.406 2.588 3.620 . 0 0 "[ . 1 . 2]" 1
760 1 15 LYS H 1 15 LYS HB2 3.890 . 5.300 3.386 2.819 3.941 . 0 0 "[ . 1 . 2]" 1
761 1 76 GLY HA2 1 77 THR H 3.800 . 5.300 2.561 2.152 3.559 . 0 0 "[ . 1 . 2]" 1
762 1 43 PRO HB3 1 44 TYR H 3.530 . 5.090 3.402 2.983 4.526 . 0 0 "[ . 1 . 2]" 1
763 1 43 PRO HB2 1 44 TYR H 3.260 . 4.590 3.491 2.653 4.013 . 0 0 "[ . 1 . 2]" 1
764 1 44 TYR H 1 44 TYR HB2 3.800 . 5.300 2.346 2.126 2.472 . 0 0 "[ . 1 . 2]" 1
765 1 44 TYR H 1 44 TYR HB3 3.530 . 5.090 3.539 3.411 3.631 . 0 0 "[ . 1 . 2]" 1
766 1 25 GLN H 1 26 PRO HD3 3.850 . 5.300 3.310 2.763 4.008 . 0 0 "[ . 1 . 2]" 1
767 1 40 LYS HA 1 41 ASP H 3.260 . 4.590 2.770 2.518 3.072 . 0 0 "[ . 1 . 2]" 1
768 1 85 ILE H 1 86 SER H 2.720 . 3.640 2.499 2.393 2.600 . 0 0 "[ . 1 . 2]" 1
769 1 27 LEU H 1 27 LEU HB2 3.850 . 5.300 2.500 2.108 3.885 . 0 0 "[ . 1 . 2]" 1
770 1 24 TYR QE 1 27 LEU H 3.120 . 4.340 4.212 3.647 4.396 0.056 4 0 "[ . 1 . 2]" 1
771 1 124 LYS HA 1 125 HIS H 3.330 . 4.710 2.141 1.969 2.273 . 0 0 "[ . 1 . 2]" 1
772 1 108 LYS HB2 1 133 THR H 3.530 . 5.090 4.581 3.503 5.129 0.039 4 0 "[ . 1 . 2]" 1
773 1 27 LEU H 1 27 LEU QD 4.010 . 5.300 3.583 3.231 3.747 . 0 0 "[ . 1 . 2]" 1
774 1 132 PHE QB 1 133 THR H 4.010 . 5.300 2.987 2.681 3.340 . 0 0 "[ . 1 . 2]" 1
775 1 95 TYR QD 1 96 LYS H 3.120 . 4.340 2.766 2.486 3.169 . 0 0 "[ . 1 . 2]" 1
776 1 128 ILE H 1 128 ILE HB 3.940 . 5.300 2.689 2.475 3.403 . 0 0 "[ . 1 . 2]" 1
777 1 127 ILE QG 1 128 ILE H 3.670 . 5.300 3.058 2.155 3.403 . 0 0 "[ . 1 . 2]" 1
778 1 59 THR HB 1 60 LYS H 3.530 . 5.090 3.760 2.144 4.455 . 0 0 "[ . 1 . 2]" 1
779 1 27 LEU H 1 27 LEU HB3 3.890 . 5.300 2.863 2.429 3.661 . 0 0 "[ . 1 . 2]" 1
780 1 60 LYS H 1 60 LYS HB3 3.530 . 5.090 3.524 2.618 4.176 . 0 0 "[ . 1 . 2]" 1
781 1 19 GLU HB3 1 20 ASN H 2.850 . 3.870 3.181 2.848 4.004 0.134 6 0 "[ . 1 . 2]" 1
782 1 25 GLN H 1 25 GLN QB 3.170 . 4.430 2.481 2.341 2.757 . 0 0 "[ . 1 . 2]" 1
783 1 130 VAL QG 1 131 ARG H 3.760 . 5.300 2.463 2.003 3.324 . 0 0 "[ . 1 . 2]" 1
784 1 9 ALA H 1 9 ALA MB 3.870 . 5.300 2.219 2.104 2.348 . 0 0 "[ . 1 . 2]" 1
785 1 9 ALA MB 1 10 SER H 3.870 . 5.300 2.687 2.308 2.910 . 0 0 "[ . 1 . 2]" 1
786 1 11 ARG H 1 11 ARG QB 3.670 . 5.300 2.336 1.979 2.781 0.011 18 0 "[ . 1 . 2]" 1
787 1 10 SER H 1 11 ARG H 3.980 . 5.300 2.861 2.736 3.172 . 0 0 "[ . 1 . 2]" 1
788 1 12 ALA H 1 12 ALA MB 3.260 . 4.590 2.219 2.166 2.285 . 0 0 "[ . 1 . 2]" 1
789 1 11 ARG H 1 12 ALA H 3.460 . 4.960 2.669 2.601 2.855 . 0 0 "[ . 1 . 2]" 1
790 1 12 ALA H 1 13 LEU H 3.700 . 5.300 2.827 2.632 2.940 . 0 0 "[ . 1 . 2]" 1
791 1 13 LEU H 1 14 GLN H 3.330 . 4.710 2.853 2.698 2.969 . 0 0 "[ . 1 . 2]" 1
792 1 16 ALA MB 1 17 THR H 3.580 . 5.180 2.775 2.616 2.982 . 0 0 "[ . 1 . 2]" 1
793 1 15 LYS H 1 16 ALA H 3.840 . 5.300 2.784 2.691 2.854 . 0 0 "[ . 1 . 2]" 1
794 1 17 THR HA 1 18 VAL H 3.400 . 4.840 3.600 3.541 3.680 . 0 0 "[ . 1 . 2]" 1
795 1 17 THR H 1 17 THR HB 3.600 . 5.220 2.908 2.440 3.844 . 0 0 "[ . 1 . 2]" 1
796 1 17 THR H 1 17 THR MG 3.190 . 4.460 3.377 2.249 3.843 . 0 0 "[ . 1 . 2]" 1
797 1 16 ALA H 1 17 THR H 3.490 . 5.010 2.624 2.464 2.800 . 0 0 "[ . 1 . 2]" 1
798 1 18 VAL H 1 18 VAL HB 3.400 . 4.840 2.328 2.014 3.805 . 0 0 "[ . 1 . 2]" 1
799 1 18 VAL H 1 18 VAL MG1 3.350 . 4.750 3.200 2.547 3.777 . 0 0 "[ . 1 . 2]" 1
800 1 17 THR H 1 18 VAL H 3.670 . 5.300 2.642 2.512 2.794 . 0 0 "[ . 1 . 2]" 1
801 1 19 GLU H 1 20 ASN H 3.620 . 5.260 2.719 2.530 2.893 . 0 0 "[ . 1 . 2]" 1
802 1 20 ASN HA 1 21 LEU H 3.800 . 5.300 3.610 3.535 3.673 . 0 0 "[ . 1 . 2]" 1
803 1 20 ASN H 1 20 ASN QB 3.190 . 4.460 2.450 1.885 3.094 0.105 14 0 "[ . 1 . 2]" 1
804 1 20 ASN H 1 21 LEU H 3.890 . 5.300 2.737 2.577 2.884 . 0 0 "[ . 1 . 2]" 1
805 1 20 ASN H 1 22 GLU H 4.440 . 5.300 4.149 3.923 4.360 . 0 0 "[ . 1 . 2]" 1
806 1 21 LEU HA 1 22 GLU H 4.070 . 5.300 3.611 3.517 3.707 . 0 0 "[ . 1 . 2]" 1
807 1 21 LEU HA 1 24 TYR H 3.400 . 4.840 3.651 3.477 3.885 . 0 0 "[ . 1 . 2]" 1
808 1 21 LEU H 1 21 LEU QD 2.850 . 3.870 2.645 2.362 3.054 . 0 0 "[ . 1 . 2]" 1
809 1 22 GLU HB3 1 23 SER H 3.260 . 4.590 4.250 3.324 4.658 0.068 2 0 "[ . 1 . 2]" 1
810 1 22 GLU H 1 22 GLU HB2 3.260 . 4.590 3.648 3.002 3.802 . 0 0 "[ . 1 . 2]" 1
811 1 22 GLU H 1 22 GLU QG 3.580 . 4.840 2.707 2.122 3.824 . 0 0 "[ . 1 . 2]" 1
812 1 22 GLU H 1 23 SER H 3.400 . 4.840 2.674 2.531 3.052 . 0 0 "[ . 1 . 2]" 1
813 1 24 TYR HA 1 25 GLN H 2.850 . 3.870 2.152 1.995 2.233 . 0 0 "[ . 1 . 2]" 1
814 1 24 TYR H 1 24 TYR HB2 3.530 . 5.090 2.530 2.376 2.658 . 0 0 "[ . 1 . 2]" 1
815 1 24 TYR H 1 24 TYR HB3 3.530 . 5.090 2.540 2.415 2.769 . 0 0 "[ . 1 . 2]" 1
816 1 27 LEU HB3 1 28 MET H 3.670 . 5.300 3.297 2.600 4.469 . 0 0 "[ . 1 . 2]" 1
817 1 27 LEU HB2 1 28 MET H 3.940 . 5.300 3.764 2.789 4.545 . 0 0 "[ . 1 . 2]" 1
818 1 27 LEU QD 1 28 MET H 3.600 . 5.220 3.853 3.097 4.407 . 0 0 "[ . 1 . 2]" 1
819 1 27 LEU H 1 29 GLU H 3.940 . 5.300 4.136 3.623 4.409 . 0 0 "[ . 1 . 2]" 1
820 1 28 MET HA 1 29 GLU H 3.600 . 5.220 3.467 3.426 3.515 . 0 0 "[ . 1 . 2]" 1
821 1 28 MET H 1 28 MET HB3 3.670 . 5.300 3.402 2.551 3.682 . 0 0 "[ . 1 . 2]" 1
822 1 28 MET H 1 28 MET HB2 3.940 . 5.300 2.698 2.219 3.757 . 0 0 "[ . 1 . 2]" 1
823 1 28 MET H 1 28 MET QG 3.670 . 5.300 2.133 1.907 2.577 0.083 1 0 "[ . 1 . 2]" 1
824 1 27 LEU H 1 28 MET H 3.120 . 4.340 2.477 2.308 2.861 . 0 0 "[ . 1 . 2]" 1
825 1 29 GLU HA 1 30 MET H 3.740 . 5.300 3.482 3.373 3.613 . 0 0 "[ . 1 . 2]" 1
826 1 29 GLU H 1 29 GLU QB 2.920 . 3.990 2.418 2.173 2.842 . 0 0 "[ . 1 . 2]" 1
827 1 29 GLU QB 1 30 MET H 3.120 . 4.340 3.130 2.650 3.922 . 0 0 "[ . 1 . 2]" 1
828 1 29 GLU H 1 29 GLU QG 3.170 . 4.430 2.612 1.917 4.082 . 0 0 "[ . 1 . 2]" 1
829 1 28 MET H 1 29 GLU H 3.600 . 5.220 2.687 2.486 2.888 . 0 0 "[ . 1 . 2]" 1
830 1 30 MET H 1 30 MET QB 3.190 . 4.460 2.347 2.129 2.483 . 0 0 "[ . 1 . 2]" 1
831 1 29 GLU H 1 30 MET H 2.850 . 3.870 2.340 2.196 2.557 . 0 0 "[ . 1 . 2]" 1
832 1 31 VAL QG 1 32 ASN H 3.120 . 4.340 2.920 2.291 3.578 . 0 0 "[ . 1 . 2]" 1
833 1 29 GLU H 1 31 VAL H 3.940 . 5.300 4.146 3.786 4.444 . 0 0 "[ . 1 . 2]" 1
834 1 30 MET H 1 31 VAL H 2.580 . 3.410 2.479 2.230 2.800 . 0 0 "[ . 1 . 2]" 1
835 1 32 ASN H 1 32 ASN QB 3.740 . 5.300 2.298 2.000 2.846 0.000 3 0 "[ . 1 . 2]" 1
836 1 33 GLN H 1 33 GLN QB 3.600 . 5.220 2.510 2.028 2.847 . 0 0 "[ . 1 . 2]" 1
837 1 32 ASN H 1 33 GLN H 3.330 . 4.710 1.949 1.848 2.101 0.102 12 0 "[ . 1 . 2]" 1
838 1 34 VAL H 1 34 VAL MG2 3.310 . 4.680 3.391 1.845 3.908 0.095 1 0 "[ . 1 . 2]" 1
839 1 34 VAL MG1 1 35 THR H 3.060 . 4.230 4.104 3.159 4.447 0.217 20 0 "[ . 1 . 2]" 1
840 1 35 THR H 1 35 THR HB 3.740 . 5.300 3.242 3.094 3.337 . 0 0 "[ . 1 . 2]" 1
841 1 35 THR H 1 35 THR MG 3.170 . 4.430 2.332 2.093 2.671 . 0 0 "[ . 1 . 2]" 1
842 1 39 GLY H 1 39 GLY HA2 2.720 . 3.640 2.513 2.311 2.921 . 0 0 "[ . 1 . 2]" 1
843 1 41 ASP HA 1 42 ASP H 3.260 . 4.590 3.202 3.052 3.401 . 0 0 "[ . 1 . 2]" 1
844 1 41 ASP H 1 41 ASP QB 3.940 . 5.300 2.610 2.141 2.967 . 0 0 "[ . 1 . 2]" 1
845 1 41 ASP H 1 42 ASP H 3.260 . 4.590 2.568 2.367 2.811 . 0 0 "[ . 1 . 2]" 1
846 1 42 ASP H 1 42 ASP HB3 3.060 . 4.230 3.517 2.281 3.728 . 0 0 "[ . 1 . 2]" 1
847 1 42 ASP H 1 42 ASP HB2 3.060 . 4.230 2.439 2.148 3.736 . 0 0 "[ . 1 . 2]" 1
848 1 43 PRO HA 1 44 TYR H 2.850 . 3.870 2.233 2.051 2.381 . 0 0 "[ . 1 . 2]" 1
849 1 44 TYR H 1 44 TYR QD 3.670 . 5.300 2.322 1.946 2.684 0.044 3 0 "[ . 1 . 2]" 1
850 1 45 PRO HA 1 46 TYR H 3.330 . 4.710 2.328 2.263 2.426 . 0 0 "[ . 1 . 2]" 1
851 1 33 GLN H 1 46 TYR HA 3.120 . 4.340 3.375 2.530 3.941 . 0 0 "[ . 1 . 2]" 1
852 1 46 TYR HA 1 47 VAL H 3.580 . 5.180 2.707 2.503 2.792 . 0 0 "[ . 1 . 2]" 1
853 1 33 GLN H 1 46 TYR QB 3.800 . 5.300 2.958 2.315 3.491 . 0 0 "[ . 1 . 2]" 1
854 1 46 TYR QB 1 47 VAL H 3.940 . 4.960 2.273 2.092 2.698 . 0 0 "[ . 1 . 2]" 1
855 1 46 TYR QD 1 47 VAL H 3.710 . 5.300 3.235 2.721 3.923 . 0 0 "[ . 1 . 2]" 1
856 1 47 VAL HA 1 48 VAL H 2.720 . 3.640 2.139 2.047 2.282 . 0 0 "[ . 1 . 2]" 1
857 1 47 VAL H 1 47 VAL HB 3.580 . 5.180 3.000 2.678 3.546 . 0 0 "[ . 1 . 2]" 1
858 1 47 VAL H 1 47 VAL QG 3.530 . 5.090 2.858 2.191 3.106 . 0 0 "[ . 1 . 2]" 1
859 1 48 VAL HA 1 49 ILE H 3.120 . 4.340 2.236 2.143 2.415 . 0 0 "[ . 1 . 2]" 1
860 1 48 VAL H 1 48 VAL HB 4.030 . 5.300 3.846 2.264 4.066 . 0 0 "[ . 1 . 2]" 1
861 1 48 VAL QG 1 49 ILE H 3.530 . 4.680 3.333 2.942 3.549 . 0 0 "[ . 1 . 2]" 1
862 1 49 ILE HA 1 50 GLY H 3.310 . 4.680 2.219 2.103 2.353 . 0 0 "[ . 1 . 2]" 1
863 1 49 ILE H 1 49 ILE HB 3.460 . 4.960 2.532 2.259 2.811 . 0 0 "[ . 1 . 2]" 1
864 1 49 ILE MG 1 50 GLY H 3.800 . 5.300 2.466 2.210 2.772 . 0 0 "[ . 1 . 2]" 1
865 1 50 GLY HA3 1 51 ASP H 3.330 . 4.710 2.326 2.075 2.542 . 0 0 "[ . 1 . 2]" 1
866 1 50 GLY HA2 1 51 ASP H 3.260 . 4.590 2.971 2.524 3.299 . 0 0 "[ . 1 . 2]" 1
867 1 51 ASP HA 1 52 GLN H 3.530 . 5.090 2.306 2.114 2.532 . 0 0 "[ . 1 . 2]" 1
868 1 51 ASP H 1 51 ASP HB3 3.350 . 4.750 3.202 2.900 3.918 . 0 0 "[ . 1 . 2]" 1
869 1 51 ASP H 1 51 ASP HB2 3.260 . 4.590 3.298 2.777 4.007 . 0 0 "[ . 1 . 2]" 1
870 1 57 PHE H 1 57 PHE HB3 4.140 . 5.300 3.237 2.604 3.875 . 0 0 "[ . 1 . 2]" 1
871 1 57 PHE H 1 57 PHE HB2 3.940 . 5.300 3.106 2.387 3.917 . 0 0 "[ . 1 . 2]" 1
872 1 60 LYS H 1 61 SER H 3.840 . 5.300 3.501 2.031 4.648 . 0 0 "[ . 1 . 2]" 1
873 1 61 SER H 1 61 SER HA 2.990 . 4.110 2.795 2.174 2.964 . 0 0 "[ . 1 . 2]" 1
874 1 61 SER H 1 61 SER QB 3.940 . 5.300 2.822 2.178 3.202 . 0 0 "[ . 1 . 2]" 1
875 1 66 ASN HA 1 67 ILE H 3.890 . 5.300 2.251 2.084 2.539 . 0 0 "[ . 1 . 2]" 1
876 1 66 ASN HB2 1 67 ILE H 4.280 . 5.300 3.376 2.313 4.331 . 0 0 "[ . 1 . 2]" 1
877 1 67 ILE H 1 67 ILE QG 3.940 . 5.300 3.331 2.288 3.888 . 0 0 "[ . 1 . 2]" 1
878 1 67 ILE H 1 67 ILE MG 3.670 . 5.300 3.741 2.229 3.940 . 0 0 "[ . 1 . 2]" 1
879 1 68 THR HA 1 69 MET H 3.580 . 5.180 2.259 2.095 2.437 . 0 0 "[ . 1 . 2]" 1
880 1 68 THR HA 1 132 PHE H 4.350 . 5.300 3.703 3.473 4.027 . 0 0 "[ . 1 . 2]" 1
881 1 68 THR MG 1 69 MET H 3.620 . 5.260 3.744 2.535 4.327 . 0 0 "[ . 1 . 2]" 1
882 1 69 MET HA 1 70 ASP H 3.400 . 4.840 2.353 2.220 2.562 . 0 0 "[ . 1 . 2]" 1
883 1 70 ASP HA 1 71 PHE H 3.260 . 4.590 2.219 2.117 2.350 . 0 0 "[ . 1 . 2]" 1
884 1 70 ASP H 1 70 ASP HB3 3.530 . 5.090 3.567 2.772 3.859 . 0 0 "[ . 1 . 2]" 1
885 1 70 ASP H 1 70 ASP HB2 3.870 . 5.300 2.867 2.429 3.911 . 0 0 "[ . 1 . 2]" 1
886 1 71 PHE HA 1 72 HIS H 2.990 . 4.110 2.189 2.071 2.274 . 0 0 "[ . 1 . 2]" 1
887 1 71 PHE H 1 71 PHE QD 3.530 . 5.090 2.454 2.086 3.455 . 0 0 "[ . 1 . 2]" 1
888 1 72 HIS HA 1 73 VAL H 3.570 . 5.160 2.200 2.005 2.333 . 0 0 "[ . 1 . 2]" 1
889 1 72 HIS H 1 72 HIS HB3 3.870 . 5.300 3.779 3.642 3.928 . 0 0 "[ . 1 . 2]" 1
890 1 72 HIS HB3 1 73 VAL H 4.140 . 5.300 3.604 3.348 3.801 . 0 0 "[ . 1 . 2]" 1
891 1 72 HIS H 1 72 HIS HB2 3.530 . 5.090 2.653 2.307 3.021 . 0 0 "[ . 1 . 2]" 1
892 1 48 VAL H 1 72 HIS H . 2.800 3.800 3.222 3.046 3.396 . 0 0 "[ . 1 . 2]" 1
893 1 73 VAL HA 1 74 TRP H 2.990 . 4.110 2.274 2.195 2.364 . 0 0 "[ . 1 . 2]" 1
894 1 73 VAL H 1 73 VAL HB 3.760 . 5.300 2.890 2.320 3.843 . 0 0 "[ . 1 . 2]" 1
895 1 73 VAL H 1 73 VAL MG2 3.620 . 5.260 2.832 2.123 3.882 . 0 0 "[ . 1 . 2]" 1
896 1 74 TRP H 1 74 TRP QB 3.460 . 4.960 2.912 2.692 3.199 . 0 0 "[ . 1 . 2]" 1
897 1 46 TYR H 1 74 TRP H 3.770 2.800 3.800 3.205 2.990 3.401 . 0 0 "[ . 1 . 2]" 1
898 1 77 THR H 1 77 THR HB 4.140 . 5.300 3.506 2.658 3.976 . 0 0 "[ . 1 . 2]" 1
899 1 77 THR H 1 78 THR H 3.800 . 5.300 2.905 2.011 3.989 . 0 0 "[ . 1 . 2]" 1
900 1 80 ALA HA 1 83 GLN H 3.800 . 5.300 3.575 3.238 3.990 . 0 0 "[ . 1 . 2]" 1
901 1 80 ALA H 1 80 ALA MB 3.580 . 5.180 2.196 2.148 2.244 . 0 0 "[ . 1 . 2]" 1
902 1 80 ALA MB 1 81 GLU H 3.530 . 5.090 2.800 2.657 2.845 . 0 0 "[ . 1 . 2]" 1
903 1 81 GLU H 1 82 ALA H 4.030 . 5.300 2.736 2.523 3.068 . 0 0 "[ . 1 . 2]" 1
904 1 82 ALA HA 1 85 ILE H 3.670 . 5.300 3.542 3.357 3.666 . 0 0 "[ . 1 . 2]" 1
905 1 82 ALA H 1 82 ALA MB 3.460 . 4.960 2.181 2.056 2.241 . 0 0 "[ . 1 . 2]" 1
906 1 82 ALA MB 1 83 GLN H 3.600 . 5.220 2.717 2.540 2.912 . 0 0 "[ . 1 . 2]" 1
907 1 82 ALA H 1 83 GLN H 4.140 . 5.300 2.687 2.570 2.840 . 0 0 "[ . 1 . 2]" 1
908 1 83 GLN H 1 83 GLN HB3 3.600 . 5.220 3.041 2.219 3.655 . 0 0 "[ . 1 . 2]" 1
909 1 83 GLN H 1 83 GLN HB2 3.770 . 5.300 2.555 2.111 3.727 . 0 0 "[ . 1 . 2]" 1
910 1 83 GLN H 1 83 GLN QG 3.740 . 5.300 3.172 2.208 4.249 . 0 0 "[ . 1 . 2]" 1
911 1 84 ASP H 1 84 ASP HB2 3.890 . 5.300 2.472 2.215 2.629 . 0 0 "[ . 1 . 2]" 1
912 1 84 ASP HB2 1 85 ILE H 4.280 . 5.300 3.145 2.665 4.051 . 0 0 "[ . 1 . 2]" 1
913 1 84 ASP H 1 84 ASP HB3 3.800 . 5.300 3.363 2.625 3.720 . 0 0 "[ . 1 . 2]" 1
914 1 83 GLN H 1 84 ASP H 3.870 . 5.300 2.477 2.400 2.665 . 0 0 "[ . 1 . 2]" 1
915 1 84 ASP H 1 85 ILE H 2.990 . 4.110 2.893 2.791 3.069 . 0 0 "[ . 1 . 2]" 1
916 1 85 ILE HA 1 86 SER H 3.530 . 5.090 3.592 3.498 3.668 . 0 0 "[ . 1 . 2]" 1
917 1 85 ILE HA 1 88 ARG H 4.010 . 5.300 3.458 3.233 3.835 . 0 0 "[ . 1 . 2]" 1
918 1 85 ILE H 1 85 ILE HB 3.800 . 5.300 3.741 3.690 3.783 . 0 0 "[ . 1 . 2]" 1
919 1 85 ILE HB 1 86 SER H 3.670 . 5.300 3.971 3.857 4.173 . 0 0 "[ . 1 . 2]" 1
920 1 85 ILE H 1 85 ILE MD 3.940 . 5.300 3.681 3.390 3.853 . 0 0 "[ . 1 . 2]" 1
921 1 85 ILE MD 1 86 SER H 3.670 . 5.300 4.187 3.996 4.480 . 0 0 "[ . 1 . 2]" 1
922 1 85 ILE H 1 85 ILE QG 3.460 . 4.960 2.119 1.957 2.383 0.003 2 0 "[ . 1 . 2]" 1
923 1 85 ILE H 1 85 ILE MG 3.870 . 5.300 2.359 2.126 2.609 . 0 0 "[ . 1 . 2]" 1
924 1 85 ILE MG 1 86 SER H 3.670 . 5.300 4.217 4.088 4.367 . 0 0 "[ . 1 . 2]" 1
925 1 86 SER H 1 86 SER QB 3.400 . 4.840 2.480 2.070 2.965 . 0 0 "[ . 1 . 2]" 1
926 1 86 SER QB 1 87 SER H 3.740 . 5.300 2.910 2.366 3.683 . 0 0 "[ . 1 . 2]" 1
927 1 87 SER H 1 87 SER QB 3.060 . 4.230 2.419 2.157 2.717 . 0 0 "[ . 1 . 2]" 1
928 1 88 ARG HA 1 89 VAL H 4.140 . 5.300 3.660 3.576 3.710 . 0 0 "[ . 1 . 2]" 1
929 1 88 ARG H 1 88 ARG QB 3.800 . 5.300 2.384 1.982 2.688 0.008 20 0 "[ . 1 . 2]" 1
930 1 88 ARG H 1 88 ARG QG 3.670 . 5.300 3.106 2.335 4.121 . 0 0 "[ . 1 . 2]" 1
931 1 88 ARG QG 1 89 VAL H 4.010 . 5.300 4.385 2.503 5.045 . 0 0 "[ . 1 . 2]" 1
932 1 87 SER H 1 88 ARG H 3.670 . 5.300 2.796 2.596 2.942 . 0 0 "[ . 1 . 2]" 1
933 1 89 VAL HA 1 90 LEU H 3.940 . 5.300 3.661 3.577 3.780 . 0 0 "[ . 1 . 2]" 1
934 1 89 VAL HA 1 92 ALA H 3.870 . 5.300 3.395 3.122 3.775 . 0 0 "[ . 1 . 2]" 1
935 1 89 VAL H 1 89 VAL HB 3.350 . 4.750 2.411 2.016 3.771 . 0 0 "[ . 1 . 2]" 1
936 1 89 VAL HB 1 90 LEU H 3.670 . 5.300 3.635 2.809 4.350 . 0 0 "[ . 1 . 2]" 1
937 1 89 VAL H 1 89 VAL QG 3.800 . 5.300 2.586 1.953 2.990 0.037 13 0 "[ . 1 . 2]" 1
938 1 89 VAL QG 1 90 LEU H 3.870 . 4.960 2.633 2.236 3.176 . 0 0 "[ . 1 . 2]" 1
939 1 88 ARG H 1 89 VAL H 3.570 . 5.160 2.805 2.566 2.953 . 0 0 "[ . 1 . 2]" 1
940 1 90 LEU HA 1 91 GLU H 3.870 . 5.300 3.605 3.533 3.713 . 0 0 "[ . 1 . 2]" 1
941 1 90 LEU HA 1 93 LEU H 3.530 . 5.090 3.330 2.986 3.617 . 0 0 "[ . 1 . 2]" 1
942 1 90 LEU H 1 90 LEU QB 2.920 . 3.990 2.254 1.905 2.835 . 0 0 "[ . 1 . 2]" 1
943 1 90 LEU H 1 90 LEU QD 3.530 . 4.710 2.736 2.116 3.584 . 0 0 "[ . 1 . 2]" 1
944 1 89 VAL H 1 90 LEU H 3.120 . 4.340 2.875 2.697 3.042 . 0 0 "[ . 1 . 2]" 1
945 1 91 GLU HA 1 92 ALA H 3.600 . 5.220 3.616 3.555 3.681 . 0 0 "[ . 1 . 2]" 1
946 1 91 GLU H 1 91 GLU HB3 3.670 . 5.300 2.565 2.405 2.703 . 0 0 "[ . 1 . 2]" 1
947 1 91 GLU H 1 91 GLU HB2 3.600 . 5.220 2.503 2.337 2.663 . 0 0 "[ . 1 . 2]" 1
948 1 91 GLU HB2 1 92 ALA H 3.120 . 4.340 4.121 3.974 4.235 . 0 0 "[ . 1 . 2]" 1
949 1 91 GLU H 1 91 GLU QG 3.600 . 5.220 4.032 3.951 4.141 . 0 0 "[ . 1 . 2]" 1
950 1 90 LEU H 1 91 GLU H 3.260 . 4.590 2.752 2.644 2.917 . 0 0 "[ . 1 . 2]" 1
951 1 92 ALA H 1 92 ALA MB 3.080 . 4.260 2.218 2.101 2.301 . 0 0 "[ . 1 . 2]" 1
952 1 92 ALA MB 1 93 LEU H 3.440 . 4.920 2.410 2.251 2.663 . 0 0 "[ . 1 . 2]" 1
953 1 93 LEU H 1 93 LEU HB3 3.600 . 5.220 3.503 2.239 3.776 . 0 0 "[ . 1 . 2]" 1
954 1 93 LEU HB3 1 94 THR H 3.530 . 5.090 3.497 2.704 4.158 . 0 0 "[ . 1 . 2]" 1
955 1 93 LEU H 1 93 LEU HB2 3.120 . 4.340 2.361 1.959 2.937 . 0 0 "[ . 1 . 2]" 1
956 1 93 LEU HB2 1 94 THR H 3.400 . 4.840 3.124 2.566 4.277 . 0 0 "[ . 1 . 2]" 1
957 1 93 LEU H 1 93 LEU QD 3.710 . 5.090 2.720 2.245 3.591 . 0 0 "[ . 1 . 2]" 1
958 1 92 ALA H 1 93 LEU H 3.460 . 4.960 2.745 2.569 2.945 . 0 0 "[ . 1 . 2]" 1
959 1 94 THR HA 1 95 TYR H 3.740 . 5.300 3.062 2.648 3.237 . 0 0 "[ . 1 . 2]" 1
960 1 94 THR H 1 94 THR HB 3.430 . 4.900 3.416 3.250 3.836 . 0 0 "[ . 1 . 2]" 1
961 1 94 THR H 1 94 THR MG 3.330 . 4.710 4.042 3.919 4.132 . 0 0 "[ . 1 . 2]" 1
962 1 94 THR MG 1 95 TYR H 3.670 . 5.300 4.252 3.924 4.420 . 0 0 "[ . 1 . 2]" 1
963 1 93 LEU H 1 94 THR H 3.060 . 4.230 3.044 2.848 3.119 . 0 0 "[ . 1 . 2]" 1
964 1 95 TYR HA 1 96 LYS H 3.530 . 5.090 3.562 3.467 3.674 . 0 0 "[ . 1 . 2]" 1
965 1 95 TYR H 1 95 TYR QB 3.580 . 5.180 2.153 1.971 2.869 0.019 3 0 "[ . 1 . 2]" 1
966 1 95 TYR QB 1 96 LYS H 3.670 . 5.300 2.896 2.635 3.517 . 0 0 "[ . 1 . 2]" 1
967 1 95 TYR H 1 95 TYR QD 2.720 . 3.640 3.448 3.065 3.677 0.037 9 0 "[ . 1 . 2]" 1
968 1 94 THR H 1 95 TYR H 2.850 . 3.870 2.539 2.241 2.739 . 0 0 "[ . 1 . 2]" 1
969 1 96 LYS H 1 96 LYS QB 3.400 . 4.840 2.647 2.126 3.191 . 0 0 "[ . 1 . 2]" 1
970 1 96 LYS H 1 96 LYS QG 3.740 . 5.300 3.529 2.738 4.278 . 0 0 "[ . 1 . 2]" 1
971 1 95 TYR H 1 96 LYS H 3.460 . 4.960 2.362 2.190 2.663 . 0 0 "[ . 1 . 2]" 1
972 1 97 PRO HA 1 98 LEU H 3.060 . 4.230 2.334 2.157 2.464 . 0 0 "[ . 1 . 2]" 1
973 1 97 PRO HB3 1 98 LEU H 4.070 . 5.300 3.646 2.738 4.253 . 0 0 "[ . 1 . 2]" 1
974 1 97 PRO HB2 1 98 LEU H 4.030 . 5.300 3.360 2.841 3.834 . 0 0 "[ . 1 . 2]" 1
975 1 98 LEU HA 1 99 MET H 3.120 . 4.340 2.119 1.993 2.235 . 0 0 "[ . 1 . 2]" 1
976 1 99 MET HA 1 100 PHE H 3.190 . 4.460 2.202 2.117 2.479 . 0 0 "[ . 1 . 2]" 1
977 1 99 MET H 1 99 MET HB3 3.740 . 5.300 2.897 2.531 3.722 . 0 0 "[ . 1 . 2]" 1
978 1 99 MET HB3 1 100 PHE H 3.260 . 4.590 3.936 3.170 4.298 . 0 0 "[ . 1 . 2]" 1
979 1 99 MET H 1 99 MET HB2 3.530 . 5.090 3.103 2.591 3.268 . 0 0 "[ . 1 . 2]" 1
980 1 99 MET H 1 99 MET HG3 4.210 . 5.300 4.659 3.638 4.831 . 0 0 "[ . 1 . 2]" 1
981 1 100 PHE HA 1 101 GLU H 2.920 . 3.990 2.184 2.050 2.326 . 0 0 "[ . 1 . 2]" 1
982 1 100 PHE H 1 100 PHE HB3 3.800 . 5.300 2.837 2.708 2.998 . 0 0 "[ . 1 . 2]" 1
983 1 100 PHE H 1 100 PHE HB2 3.940 . 5.300 3.371 3.204 3.571 . 0 0 "[ . 1 . 2]" 1
984 1 100 PHE QD 1 101 GLU H 3.870 . 5.300 3.710 3.028 3.992 . 0 0 "[ . 1 . 2]" 1
985 1 101 GLU HA 1 102 GLY H 4.140 . 5.300 3.089 2.221 3.528 . 0 0 "[ . 1 . 2]" 1
986 1 101 GLU HB3 1 102 GLY H 4.280 . 5.300 4.016 2.261 4.632 . 0 0 "[ . 1 . 2]" 1
987 1 101 GLU HB2 1 102 GLY H 4.070 . 5.300 3.695 2.061 4.538 . 0 0 "[ . 1 . 2]" 1
988 1 101 GLU H 1 101 GLU HG3 3.400 . 4.840 4.249 2.917 4.779 . 0 0 "[ . 1 . 2]" 1
989 1 101 GLU H 1 101 GLU HG2 3.330 . 4.710 3.282 1.957 4.922 0.212 6 0 "[ . 1 . 2]" 1
990 1 103 PHE HA 1 104 THR H 3.120 . 4.340 2.219 2.122 2.323 . 0 0 "[ . 1 . 2]" 1
991 1 103 PHE H 1 103 PHE HB3 3.530 . 5.090 3.304 2.534 3.893 . 0 0 "[ . 1 . 2]" 1
992 1 103 PHE H 1 103 PHE QD 3.260 . 4.590 3.638 2.430 4.394 . 0 0 "[ . 1 . 2]" 1
993 1 100 PHE H 1 103 PHE H 3.800 . 5.300 3.038 2.767 3.276 . 0 0 "[ . 1 . 2]" 1
994 1 100 PHE H 1 104 THR HA 4.140 . 5.300 3.936 3.526 4.372 . 0 0 "[ . 1 . 2]" 1
995 1 104 THR HA 1 105 PHE H 3.400 . 4.840 2.210 2.076 2.354 . 0 0 "[ . 1 . 2]" 1
996 1 104 THR MG 1 105 PHE H 3.530 . 5.090 2.857 2.076 3.630 . 0 0 "[ . 1 . 2]" 1
997 1 105 PHE HA 1 106 VAL H 3.890 . 5.300 2.222 2.012 2.480 . 0 0 "[ . 1 . 2]" 1
998 1 105 PHE H 1 105 PHE QB 3.670 . 5.300 3.126 2.605 3.402 . 0 0 "[ . 1 . 2]" 1
999 1 105 PHE QB 1 106 VAL H 3.530 . 5.090 3.013 2.698 3.562 . 0 0 "[ . 1 . 2]" 1
1000 1 105 PHE H 1 105 PHE QD 3.400 . 4.840 2.291 1.988 2.625 . 0 0 "[ . 1 . 2]" 1
1001 1 106 VAL H 1 106 VAL HB 3.120 . 4.340 2.406 2.251 2.954 . 0 0 "[ . 1 . 2]" 1
1002 1 106 VAL H 1 106 VAL QG 3.120 . 4.340 2.431 1.968 2.824 . 0 0 "[ . 1 . 2]" 1
1003 1 107 ALA HA 1 108 LYS H 3.940 . 5.300 2.168 2.086 2.277 . 0 0 "[ . 1 . 2]" 1
1004 1 116 ILE HA 1 117 THR H 3.260 . 4.590 2.246 2.094 2.401 . 0 0 "[ . 1 . 2]" 1
1005 1 116 ILE H 1 116 ILE HB 3.800 . 5.300 2.924 2.435 3.833 . 0 0 "[ . 1 . 2]" 1
1006 1 116 ILE HB 1 117 THR H 3.740 . 5.300 3.833 2.552 4.417 . 0 0 "[ . 1 . 2]" 1
1007 1 117 THR HA 1 118 ASP H 3.530 . 5.090 2.266 2.186 2.420 . 0 0 "[ . 1 . 2]" 1
1008 1 117 THR MG 1 118 ASP H 3.800 . 5.300 3.123 2.279 4.411 . 0 0 "[ . 1 . 2]" 1
1009 1 122 VAL H 1 122 VAL HB 3.580 . 5.180 2.788 2.375 3.834 . 0 0 "[ . 1 . 2]" 1
1010 1 122 VAL H 1 122 VAL MG1 3.310 . 4.680 2.866 1.924 3.851 0.016 3 0 "[ . 1 . 2]" 1
1011 1 122 VAL H 1 122 VAL MG2 3.760 . 5.300 2.949 1.974 3.955 0.016 5 0 "[ . 1 . 2]" 1
1012 1 125 HIS HA 1 126 GLY H 4.070 . 5.300 2.253 2.112 2.379 . 0 0 "[ . 1 . 2]" 1
1013 1 125 HIS H 1 125 HIS HB2 3.940 . 5.300 3.450 2.456 3.979 . 0 0 "[ . 1 . 2]" 1
1014 1 126 GLY HA3 1 127 ILE H 2.850 . 3.870 3.140 2.742 3.404 . 0 0 "[ . 1 . 2]" 1
1015 1 127 ILE HA 1 128 ILE H 3.530 . 5.090 2.159 2.096 2.244 . 0 0 "[ . 1 . 2]" 1
1016 1 128 ILE HA 1 129 LYS H 3.190 . 4.460 2.224 2.129 2.292 . 0 0 "[ . 1 . 2]" 1
1017 1 71 PHE H 1 128 ILE H 3.530 2.800 3.800 3.248 2.944 3.444 . 0 0 "[ . 1 . 2]" 1
1018 1 129 LYS HA 1 130 VAL H 3.260 . 4.590 2.185 2.070 2.482 . 0 0 "[ . 1 . 2]" 1
1019 1 129 LYS H 1 129 LYS HB3 3.800 . 5.300 2.762 2.315 3.806 . 0 0 "[ . 1 . 2]" 1
1020 1 129 LYS H 1 129 LYS HB2 3.800 . 5.300 3.208 2.557 3.771 . 0 0 "[ . 1 . 2]" 1
1021 1 129 LYS H 1 129 LYS HG3 3.740 . 5.300 4.279 2.577 4.974 . 0 0 "[ . 1 . 2]" 1
1022 1 69 MET H 1 130 VAL H . 2.800 3.800 3.365 3.206 3.578 . 0 0 "[ . 1 . 2]" 1
1023 1 130 VAL HA 1 131 ARG H 3.260 . 4.590 2.202 1.995 2.398 . 0 0 "[ . 1 . 2]" 1
1024 1 130 VAL H 1 130 VAL HB 3.760 . 5.300 3.169 2.538 3.895 . 0 0 "[ . 1 . 2]" 1
1025 1 130 VAL H 1 130 VAL QG . . 4.110 2.595 2.073 3.060 . 0 0 "[ . 1 . 2]" 1
1026 1 131 ARG HA 1 132 PHE H 3.740 . 5.300 2.203 2.087 2.301 . 0 0 "[ . 1 . 2]" 1
1027 1 131 ARG H 1 131 ARG HB3 3.670 . 5.300 2.981 2.406 3.875 . 0 0 "[ . 1 . 2]" 1
1028 1 131 ARG H 1 131 ARG HB2 4.010 . 5.300 3.224 2.395 3.948 . 0 0 "[ . 1 . 2]" 1
1029 1 132 PHE HA 1 133 THR H 3.580 . 5.180 2.253 2.144 2.331 . 0 0 "[ . 1 . 2]" 1
1030 1 132 PHE H 1 132 PHE HB3 4.070 . 5.300 3.887 3.770 4.006 . 0 0 "[ . 1 . 2]" 1
1031 1 132 PHE H 1 132 PHE QD 3.890 . 5.300 2.475 2.046 3.289 . 0 0 "[ . 1 . 2]" 1
1032 1 67 ILE H 1 132 PHE H . 2.800 3.800 3.152 2.715 3.341 0.085 17 0 "[ . 1 . 2]" 1
1033 1 133 THR HA 1 134 ILE H 3.530 . 5.090 2.285 2.137 2.435 . 0 0 "[ . 1 . 2]" 1
1034 1 133 THR H 1 133 THR HB 4.010 . 5.300 2.665 2.378 3.683 . 0 0 "[ . 1 . 2]" 1
1035 1 133 THR H 1 133 THR MG 3.870 . 5.300 3.845 3.263 3.943 . 0 0 "[ . 1 . 2]" 1
1036 1 133 THR MG 1 134 ILE H 3.670 . 5.300 2.572 2.310 3.437 . 0 0 "[ . 1 . 2]" 1
1037 1 106 VAL H 1 133 THR H 3.800 2.800 3.800 3.067 2.749 3.406 0.051 13 0 "[ . 1 . 2]" 1
1038 1 134 ILE H 1 134 ILE HB 3.850 . 5.300 3.589 3.151 3.897 . 0 0 "[ . 1 . 2]" 1
1039 1 134 ILE H 1 134 ILE MG 3.400 . 4.840 2.810 2.079 3.478 . 0 0 "[ . 1 . 2]" 1
1040 1 31 VAL HA 1 46 TYR HA 2.300 . 2.800 2.994 2.880 3.061 0.261 8 0 "[ . 1 . 2]" 1
1041 1 70 ASP HA 1 129 LYS HA 2.300 . 2.800 2.361 2.171 2.544 . 0 0 "[ . 1 . 2]" 1
1042 1 11 ARG HA 1 14 GLN H 2.500 . 3.000 2.993 2.639 3.073 0.073 8 0 "[ . 1 . 2]" 1
1043 1 12 ALA HA 1 15 LYS H 2.500 . 3.000 2.951 2.783 3.045 0.045 14 0 "[ . 1 . 2]" 1
1044 1 14 GLN HA 1 17 THR H 2.500 . 3.000 3.051 3.005 3.126 0.126 15 0 "[ . 1 . 2]" 1
1045 1 15 LYS HA 1 18 VAL H 2.500 . 3.000 3.068 2.957 3.122 0.122 13 0 "[ . 1 . 2]" 1
1046 1 16 ALA HA 1 19 GLU H 2.500 . 3.000 3.058 3.011 3.090 0.090 11 0 "[ . 1 . 2]" 1
1047 1 17 THR HA 1 20 ASN H 2.500 . 3.000 3.055 2.905 3.149 0.149 20 0 "[ . 1 . 2]" 1
1048 1 18 VAL HA 1 21 LEU H 2.500 . 3.000 3.073 3.003 3.159 0.159 6 0 "[ . 1 . 2]" 1
1049 1 19 GLU HA 1 22 GLU H 2.500 . 3.000 3.028 2.891 3.101 0.101 4 0 "[ . 1 . 2]" 1
1050 1 20 ASN HA 1 23 SER H 2.500 . 3.000 3.066 2.984 3.185 0.185 3 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 74
_Distance_constraint_stats_list.Viol_count 731
_Distance_constraint_stats_list.Viol_total 761.561
_Distance_constraint_stats_list.Viol_max 0.289
_Distance_constraint_stats_list.Viol_rms 0.0412
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0257
_Distance_constraint_stats_list.Viol_average_violations_only 0.0521
_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 9 ALA 2.274 0.289 13 0 "[ . 1 . 2]"
1 11 ARG 5.683 0.210 15 0 "[ . 1 . 2]"
1 12 ALA 0.264 0.070 4 0 "[ . 1 . 2]"
1 13 LEU 3.123 0.289 13 0 "[ . 1 . 2]"
1 14 GLN 0.168 0.057 20 0 "[ . 1 . 2]"
1 15 LYS 5.996 0.210 15 0 "[ . 1 . 2]"
1 16 ALA 0.856 0.115 2 0 "[ . 1 . 2]"
1 17 THR 2.273 0.129 14 0 "[ . 1 . 2]"
1 18 VAL 0.652 0.086 7 0 "[ . 1 . 2]"
1 19 GLU 0.633 0.064 7 0 "[ . 1 . 2]"
1 20 ASN 1.808 0.128 7 0 "[ . 1 . 2]"
1 21 LEU 1.425 0.129 14 0 "[ . 1 . 2]"
1 22 GLU 0.485 0.086 7 0 "[ . 1 . 2]"
1 23 SER 0.320 0.064 7 0 "[ . 1 . 2]"
1 24 TYR 1.879 0.128 7 0 "[ . 1 . 2]"
1 27 LEU 0.897 0.078 7 0 "[ . 1 . 2]"
1 31 VAL 0.235 0.070 13 0 "[ . 1 . 2]"
1 33 GLN 3.619 0.151 17 0 "[ . 1 . 2]"
1 35 THR 0.579 0.097 16 0 "[ . 1 . 2]"
1 46 TYR 3.729 0.138 10 0 "[ . 1 . 2]"
1 47 VAL 3.779 0.151 17 0 "[ . 1 . 2]"
1 48 VAL 0.576 0.048 14 0 "[ . 1 . 2]"
1 49 ILE 0.420 0.097 16 0 "[ . 1 . 2]"
1 50 GLY 0.931 0.091 7 0 "[ . 1 . 2]"
1 67 ILE 0.604 0.050 7 0 "[ . 1 . 2]"
1 69 MET 1.495 0.089 18 0 "[ . 1 . 2]"
1 70 ASP 0.931 0.091 7 0 "[ . 1 . 2]"
1 71 PHE 1.578 0.085 20 0 "[ . 1 . 2]"
1 72 HIS 0.576 0.048 14 0 "[ . 1 . 2]"
1 73 VAL 0.204 0.022 8 0 "[ . 1 . 2]"
1 74 TRP 3.729 0.138 10 0 "[ . 1 . 2]"
1 82 ALA 0.313 0.052 18 0 "[ . 1 . 2]"
1 84 ASP 0.045 0.020 9 0 "[ . 1 . 2]"
1 85 ILE 0.696 0.080 11 0 "[ . 1 . 2]"
1 86 SER 1.409 0.098 7 0 "[ . 1 . 2]"
1 87 SER 0.240 0.052 16 0 "[ . 1 . 2]"
1 88 ARG 0.893 0.095 19 0 "[ . 1 . 2]"
1 89 VAL 1.361 0.080 11 0 "[ . 1 . 2]"
1 90 LEU 3.963 0.188 14 0 "[ . 1 . 2]"
1 91 GLU 0.240 0.052 16 0 "[ . 1 . 2]"
1 92 ALA 4.355 0.198 3 0 "[ . 1 . 2]"
1 93 LEU 0.665 0.066 6 0 "[ . 1 . 2]"
1 94 THR 2.867 0.188 14 0 "[ . 1 . 2]"
1 96 LYS 3.508 0.198 3 0 "[ . 1 . 2]"
1 126 GLY 0.204 0.022 8 0 "[ . 1 . 2]"
1 128 ILE 1.578 0.085 20 0 "[ . 1 . 2]"
1 130 VAL 1.495 0.089 18 0 "[ . 1 . 2]"
1 132 PHE 0.604 0.050 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ALA O 1 13 LEU H 2.200 . 2.300 2.410 2.298 2.589 0.289 13 0 "[ . 1 . 2]" 2
2 1 9 ALA O 1 13 LEU N 3.200 2.900 3.300 3.169 3.031 3.360 0.060 13 0 "[ . 1 . 2]" 2
3 1 11 ARG O 1 15 LYS H 2.200 . 2.300 2.479 2.426 2.510 0.210 15 0 "[ . 1 . 2]" 2
4 1 11 ARG O 1 15 LYS N 3.200 2.900 3.300 3.405 3.353 3.442 0.142 20 0 "[ . 1 . 2]" 2
5 1 12 ALA O 1 16 ALA H 2.100 . 2.200 2.115 1.920 2.270 0.070 4 0 "[ . 1 . 2]" 2
6 1 12 ALA O 1 16 ALA N 3.100 2.800 3.200 2.955 2.797 3.122 0.003 17 0 "[ . 1 . 2]" 2
7 1 13 LEU O 1 17 THR H 2.100 . 2.200 1.918 1.781 2.155 0.019 14 0 "[ . 1 . 2]" 2
8 1 13 LEU O 1 17 THR N 3.100 2.800 3.200 2.778 2.692 2.951 0.108 15 0 "[ . 1 . 2]" 2
9 1 14 GLN O 1 18 VAL H 1.900 . 2.000 1.906 1.715 2.057 0.057 20 0 "[ . 1 . 2]" 2
10 1 14 GLN O 1 18 VAL N 2.900 2.600 3.000 2.824 2.671 3.002 0.002 4 0 "[ . 1 . 2]" 2
11 1 15 LYS O 1 19 GLU H 2.000 . 2.100 2.063 1.827 2.157 0.057 2 0 "[ . 1 . 2]" 2
12 1 15 LYS O 1 19 GLU N 3.000 2.700 3.100 2.883 2.758 3.027 . 0 0 "[ . 1 . 2]" 2
13 1 16 ALA O 1 20 ASN H 2.000 . 2.100 2.095 1.945 2.215 0.115 2 0 "[ . 1 . 2]" 2
14 1 16 ALA O 1 20 ASN N 3.000 2.700 3.100 2.944 2.815 3.086 . 0 0 "[ . 1 . 2]" 2
15 1 17 THR O 1 21 LEU H 1.900 . 2.000 2.042 1.741 2.129 0.129 14 0 "[ . 1 . 2]" 2
16 1 17 THR O 1 21 LEU N 2.900 2.600 3.000 2.991 2.723 3.057 0.057 2 0 "[ . 1 . 2]" 2
17 1 18 VAL O 1 22 GLU H 2.000 . 2.100 2.086 1.846 2.186 0.086 7 0 "[ . 1 . 2]" 2
18 1 18 VAL O 1 22 GLU N 3.000 2.700 3.100 2.974 2.787 3.073 . 0 0 "[ . 1 . 2]" 2
19 1 19 GLU O 1 23 SER H 2.100 . 2.200 2.051 1.895 2.264 0.064 7 0 "[ . 1 . 2]" 2
20 1 19 GLU O 1 23 SER N 3.100 2.800 3.200 2.831 2.736 3.125 0.064 8 0 "[ . 1 . 2]" 2
21 1 20 ASN O 1 24 TYR H 2.000 . 2.100 2.140 1.884 2.228 0.128 7 0 "[ . 1 . 2]" 2
22 1 20 ASN O 1 24 TYR N 3.000 2.700 3.100 2.982 2.822 3.101 0.001 7 0 "[ . 1 . 2]" 2
23 1 24 TYR O 1 27 LEU H 1.900 . 2.000 2.020 1.839 2.078 0.078 7 0 "[ . 1 . 2]" 2
24 1 24 TYR O 1 27 LEU N 2.900 2.600 3.000 2.945 2.793 3.033 0.033 1 0 "[ . 1 . 2]" 2
25 1 27 LEU O 1 31 VAL H 1.900 . 2.000 1.903 1.650 2.070 0.070 13 0 "[ . 1 . 2]" 2
26 1 27 LEU O 1 31 VAL N 2.900 2.600 3.000 2.835 2.652 3.007 0.007 2 0 "[ . 1 . 2]" 2
27 1 35 THR H 1 47 VAL O 2.200 . 2.300 2.032 1.885 2.317 0.017 1 0 "[ . 1 . 2]" 2
28 1 35 THR N 1 47 VAL O 3.200 2.900 3.300 3.017 2.873 3.309 0.027 20 0 "[ . 1 . 2]" 2
29 1 46 TYR H 1 74 TRP O 2.100 . 2.200 2.131 1.945 2.246 0.046 8 0 "[ . 1 . 2]" 2
30 1 46 TYR N 1 74 TRP O 3.100 2.800 3.200 3.094 2.941 3.220 0.020 8 0 "[ . 1 . 2]" 2
31 1 33 GLN O 1 47 VAL H 2.000 . 2.100 2.215 2.140 2.251 0.151 17 0 "[ . 1 . 2]" 2
32 1 33 GLN O 1 47 VAL N 3.000 2.700 3.100 3.166 3.134 3.200 0.100 17 0 "[ . 1 . 2]" 2
33 1 48 VAL H 1 72 HIS O 2.000 . 2.100 2.055 1.852 2.148 0.048 14 0 "[ . 1 . 2]" 2
34 1 48 VAL N 1 72 HIS O 3.000 2.700 3.100 3.028 2.854 3.130 0.030 12 0 "[ . 1 . 2]" 2
35 1 35 THR O 1 49 ILE H 2.200 . 2.300 2.252 1.924 2.397 0.097 16 0 "[ . 1 . 2]" 2
36 1 35 THR O 1 49 ILE N 3.200 2.900 3.300 3.087 2.888 3.262 0.012 3 0 "[ . 1 . 2]" 2
37 1 50 GLY H 1 70 ASP O 2.200 . 2.300 1.997 1.870 2.303 0.030 9 0 "[ . 1 . 2]" 2
38 1 50 GLY N 1 70 ASP O 3.200 2.900 3.300 2.988 2.860 3.259 0.040 3 0 "[ . 1 . 2]" 2
39 1 69 MET H 1 130 VAL O 1.900 . 2.000 2.007 1.854 2.079 0.079 18 0 "[ . 1 . 2]" 2
40 1 69 MET N 1 130 VAL O 2.900 2.600 3.000 3.011 2.861 3.089 0.089 18 0 "[ . 1 . 2]" 2
41 1 50 GLY O 1 70 ASP H 2.200 . 2.300 2.284 2.035 2.391 0.091 7 0 "[ . 1 . 2]" 2
42 1 50 GLY O 1 70 ASP N 3.200 2.900 3.300 3.165 2.924 3.285 . 0 0 "[ . 1 . 2]" 2
43 1 71 PHE H 1 128 ILE O 1.900 . 2.000 1.974 1.824 2.064 0.064 19 0 "[ . 1 . 2]" 2
44 1 71 PHE N 1 128 ILE O 2.900 2.600 3.000 2.966 2.820 3.035 0.035 14 0 "[ . 1 . 2]" 2
45 1 48 VAL O 1 72 HIS H 2.100 . 2.200 1.827 1.776 1.989 0.024 16 0 "[ . 1 . 2]" 2
46 1 48 VAL O 1 72 HIS N 3.100 2.800 3.200 2.831 2.774 2.995 0.026 10 0 "[ . 1 . 2]" 2
47 1 73 VAL H 1 126 GLY O 2.000 . 2.100 2.030 1.788 2.122 0.022 8 0 "[ . 1 . 2]" 2
48 1 73 VAL N 1 126 GLY O 3.000 2.700 3.100 3.030 2.795 3.122 0.022 4 0 "[ . 1 . 2]" 2
49 1 46 TYR O 1 74 TRP H 1.900 . 2.000 2.087 2.036 2.121 0.121 10 0 "[ . 1 . 2]" 2
50 1 46 TYR O 1 74 TRP N 2.900 2.600 3.000 3.088 3.040 3.138 0.138 10 0 "[ . 1 . 2]" 2
51 1 82 ALA O 1 86 SER H 2.200 . 2.300 2.253 1.970 2.352 0.052 18 0 "[ . 1 . 2]" 2
52 1 82 ALA O 1 86 SER N 3.200 2.900 3.300 3.178 2.933 3.323 0.023 2 0 "[ . 1 . 2]" 2
53 1 84 ASP O 1 88 ARG H 2.000 . 2.100 1.935 1.701 2.120 0.020 9 0 "[ . 1 . 2]" 2
54 1 84 ASP O 1 88 ARG N 3.000 2.700 3.100 2.877 2.695 3.053 0.005 2 0 "[ . 1 . 2]" 2
55 1 85 ILE O 1 89 VAL H 1.900 . 2.000 2.014 1.821 2.080 0.080 11 0 "[ . 1 . 2]" 2
56 1 85 ILE O 1 89 VAL N 2.900 2.600 3.000 2.924 2.765 3.057 0.057 13 0 "[ . 1 . 2]" 2
57 1 86 SER O 1 90 LEU H 2.000 . 2.100 2.091 1.825 2.198 0.098 7 0 "[ . 1 . 2]" 2
58 1 86 SER O 1 90 LEU N 3.000 2.700 3.100 3.076 2.835 3.183 0.083 7 0 "[ . 1 . 2]" 2
59 1 87 SER O 1 91 GLU H 2.100 . 2.200 2.058 1.810 2.252 0.052 16 0 "[ . 1 . 2]" 2
60 1 87 SER O 1 91 GLU N 3.100 2.800 3.200 2.995 2.792 3.194 0.008 1 0 "[ . 1 . 2]" 2
61 1 88 ARG O 1 92 ALA H 1.900 . 2.000 2.042 2.009 2.095 0.095 19 0 "[ . 1 . 2]" 2
62 1 88 ARG O 1 92 ALA N 2.900 2.600 3.000 2.914 2.812 2.981 . 0 0 "[ . 1 . 2]" 2
63 1 89 VAL O 1 93 LEU H 1.900 . 2.000 1.979 1.763 2.066 0.066 6 0 "[ . 1 . 2]" 2
64 1 89 VAL O 1 93 LEU N 2.900 2.600 3.000 2.950 2.759 3.047 0.047 6 0 "[ . 1 . 2]" 2
65 1 90 LEU O 1 94 THR H 2.100 . 2.200 2.304 2.214 2.388 0.188 14 0 "[ . 1 . 2]" 2
66 1 90 LEU O 1 94 THR N 3.100 2.800 3.200 3.217 3.056 3.306 0.106 15 0 "[ . 1 . 2]" 2
67 1 92 ALA O 1 96 LYS H 2.200 . 2.300 2.399 2.323 2.498 0.198 3 0 "[ . 1 . 2]" 2
68 1 92 ALA O 1 96 LYS N 3.200 2.900 3.300 3.376 3.309 3.453 0.153 3 0 "[ . 1 . 2]" 2
69 1 71 PHE O 1 128 ILE H 1.900 . 2.000 1.996 1.824 2.079 0.079 20 0 "[ . 1 . 2]" 2
70 1 71 PHE O 1 128 ILE N 2.900 2.600 3.000 2.991 2.818 3.085 0.085 20 0 "[ . 1 . 2]" 2
71 1 69 MET O 1 130 VAL H 1.900 . 2.000 1.941 1.742 2.030 0.030 3 0 "[ . 1 . 2]" 2
72 1 69 MET O 1 130 VAL N 2.900 2.600 3.000 2.943 2.763 3.040 0.040 15 0 "[ . 1 . 2]" 2
73 1 67 ILE O 1 132 PHE H 1.900 . 2.000 1.993 1.860 2.050 0.050 7 0 "[ . 1 . 2]" 2
74 1 67 ILE O 1 132 PHE N 2.900 2.600 3.000 2.988 2.850 3.035 0.035 11 0 "[ . 1 . 2]" 2
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