NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
486779 |
2kym   |
16970 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kym
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 1131
_Distance_constraint_stats_list.Viol_count 3962
_Distance_constraint_stats_list.Viol_total 136075.875
_Distance_constraint_stats_list.Viol_max 11.176
_Distance_constraint_stats_list.Viol_rms 1.0227
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3008
_Distance_constraint_stats_list.Viol_average_violations_only 1.7173
_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 3 PRO 0.246 0.198 6 0 "[ . 1 . 2]"
1 4 LEU 363.962 4.045 4 20 [***+**-*************]
1 5 PHE 93.708 3.864 19 20 [************-*****+*]
1 6 ALA 363.432 3.487 4 20 [***+*********-******]
1 7 VAL 123.396 2.557 11 20 [*********-+*********]
1 8 THR 258.228 4.111 4 20 [***+***********-****]
1 9 LEU 271.441 3.954 7 20 [******+*****-*******]
1 10 TYR 65.416 2.753 3 20 [**+****-************]
1 11 GLU 0.211 0.033 16 0 "[ . 1 . 2]"
1 12 PHE 0.077 0.015 11 0 "[ . 1 . 2]"
1 13 LYS 0.057 0.011 12 0 "[ . 1 . 2]"
1 14 ALA 0.017 0.010 1 0 "[ . 1 . 2]"
1 15 GLU 0.024 0.016 1 0 "[ . 1 . 2]"
1 16 ARG 0.027 0.010 1 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLU 103.062 4.016 7 20 [******+****-********]
1 20 LEU 40.409 2.207 6 20 [*****+*********-****]
1 21 ASP 0.027 0.015 11 0 "[ . 1 . 2]"
1 22 VAL 1.681 0.114 8 0 "[ . 1 . 2]"
1 23 SER 0.246 0.067 18 0 "[ . 1 . 2]"
1 24 PRO 1.195 0.069 8 0 "[ . 1 . 2]"
1 25 GLY 0.124 0.018 8 0 "[ . 1 . 2]"
1 26 GLU 0.416 0.037 16 0 "[ . 1 . 2]"
1 27 ASN 0.272 0.061 18 0 "[ . 1 . 2]"
1 28 LEU 50.043 2.873 8 20 [*******+*-**********]
1 29 SER 0.280 0.028 8 0 "[ . 1 . 2]"
1 30 ILE 64.144 3.650 11 20 [**-*******+*********]
1 31 CYS 0.314 0.084 13 0 "[ . 1 . 2]"
1 32 ALA 222.499 3.242 19 20 [*****************-+*]
1 33 HIS 141.825 3.405 15 20 [********-*****+*****]
1 34 TYR 0.186 0.040 19 0 "[ . 1 . 2]"
1 35 ASP 48.267 2.294 8 20 [*******+******-*****]
1 36 TYR 571.213 3.964 1 20 [+****************-**]
1 37 GLU 23.813 1.584 9 20 [********+*******-***]
1 38 TRP 74.236 1.986 12 20 [**-********+********]
1 39 PHE 632.599 7.311 13 20 [**-*********+*******]
1 40 ILE 210.485 3.780 7 20 [******+***********-*]
1 41 ALA 46.323 1.168 7 20 [******+********-****]
1 42 LYS 54.481 3.386 7 20 [******+****-********]
1 43 PRO 19.880 1.959 12 17 "[** ***- **+********]"
1 44 ILE 103.557 3.705 12 19 "[******* ***+********]"
1 45 ASN 129.978 3.642 5 20 [****+**-************]
1 46 ARG 264.368 3.705 12 20 [*******-***+********]
1 47 LEU 12.462 0.797 19 10 "[****. -* ** * +2]"
1 48 GLY 0.944 0.234 14 0 "[ . 1 . 2]"
1 51 GLY 104.869 3.386 7 20 [******+********-****]
1 52 LEU 178.956 4.016 7 20 [******+************-]
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PRO 60.595 1.986 12 20 [**-********+********]
1 55 VAL 250.397 3.732 13 20 [************+***-***]
1 56 SER 340.248 8.909 6 20 [**-**+**************]
1 57 TYR 89.995 2.753 3 20 [**+****-************]
1 58 VAL 299.040 4.111 4 20 [***+********-*******]
1 59 ARG 370.327 3.954 7 20 [******+********-****]
1 60 ILE 2001.134 11.176 12 20 [***********+-*******]
1 61 ILE 184.183 3.487 4 20 [***+***-************]
1 62 ASP 68.235 3.903 1 20 [+**************-****]
1 63 LEU 173.449 4.375 8 20 [*******+****-*******]
1 64 MET 2.939 0.286 18 0 "[ . 1 . 2]"
1 65 ASP 30.298 1.885 13 20 [***********-+*******]
1 66 PRO 79.308 4.375 8 20 [*******+***-********]
1 67 ALA 26.067 1.213 12 20 [-**********+********]
1 68 LYS 104.599 3.903 1 20 [+*******************]
1 69 TYR 80.742 4.302 13 20 [**********-*+*******]
1 70 ALA 79.715 2.557 11 20 [******-***+*********]
1 71 SER 17.868 0.926 5 20 [****+*****-*********]
1 72 VAL 279.460 5.373 11 20 [**********+*********]
1 73 ASP 10.819 0.588 13 18 "[********** *+*.****-]"
1 74 THR 201.305 8.022 16 20 [***************+***-]
1 75 TYR 328.347 8.909 6 20 [*****+**********-***]
1 76 ASP 105.775 1.870 7 20 [******+**********-**]
1 77 ARG 157.382 3.113 11 20 [-*********+*********]
1 78 GLU 102.366 1.542 14 20 [***-*********+******]
1 79 GLN 29.530 1.180 7 20 [******+**********-**]
1 80 VAL 228.763 11.176 12 20 [**-********+********]
1 81 MET 392.935 3.964 1 20 [+*******************]
1 82 LYS 6.859 0.620 6 1 "[ .+ 1 . 2]"
1 83 ILE 692.874 8.969 12 20 [******-****+********]
1 84 ILE 79.965 4.071 6 20 [*****+***********-**]
1 85 ASP 266.832 5.254 4 20 [***+*-**************]
1 86 GLU 41.870 1.450 17 20 [**-*************+***]
1 87 PHE 252.744 8.799 12 20 [***********+****-***]
1 88 LYS 179.981 5.254 4 20 [**-+****************]
1 90 PRO 1.617 0.267 14 0 "[ . 1 . 2]"
1 91 THR 374.698 3.405 15 20 [*************-+*****]
1 92 VAL 168.469 3.412 19 20 [******-***********+*]
1 93 GLU 53.448 1.192 11 20 [**********+******-**]
1 94 GLN 81.556 1.911 13 20 [************+-******]
1 95 TRP 358.925 3.780 7 20 [******+***********-*]
1 96 LYS 47.394 2.803 2 17 "[*+**** **** * -*****]"
1 97 ASP 8.094 0.632 8 7 "[ * +*1** * - 2]"
1 98 GLN 6.507 0.383 10 0 "[ . 1 . 2]"
1 99 THR 0.507 0.134 12 0 "[ . 1 . 2]"
1 100 ARG 14.964 0.616 12 8 "[* * -* 1*+ * * 2]"
1 101 ARG 67.115 5.003 12 20 [***********+******-*]
1 102 TYR 6.522 0.931 7 7 "[ . + -1 ***.** 2]"
1 103 LYS 24.743 0.931 7 20 [******+*-***********]
1 104 GLU 84.520 5.003 12 20 [********-**+********]
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 SER 0.883 0.504 6 1 "[ .+ 1 . 2]"
1 107 ILE 0.883 0.504 6 1 "[ .+ 1 . 2]"
1 108 GLN 1.660 0.446 9 0 "[ . 1 . 2]"
1 109 ILE 1.660 0.446 9 0 "[ . 1 . 2]"
1 119 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 PRO 1.158 0.084 11 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 4 LEU HA 1 4 LEU QD . . 3.740 3.178 1.998 3.460 . 0 0 "[ . 1 . 2]" 1
2 1 6 ALA MB 1 60 ILE MD . . 3.080 4.752 4.458 4.945 1.865 16 20 [***************+-***] 1
3 1 6 ALA MB 1 60 ILE HA . . 3.550 5.936 5.710 6.107 2.557 1 20 [+*********-*********] 1
4 1 7 VAL QG 1 27 ASN HA . . 3.730 3.364 2.774 3.634 . 0 0 "[ . 1 . 2]" 1
5 1 7 VAL QG 1 25 GLY HA3 . . 4.370 4.151 3.835 4.331 . 0 0 "[ . 1 . 2]" 1
6 1 7 VAL QG 1 25 GLY HA2 . . 3.500 2.871 2.544 3.074 . 0 0 "[ . 1 . 2]" 1
7 1 7 VAL QG 1 70 ALA HA . . 5.500 7.760 7.554 8.057 2.557 11 20 [****-*****+*********] 1
8 1 8 THR HA 1 58 VAL HA . . 3.840 6.210 5.979 6.538 2.698 4 20 [***+***********-****] 1
9 1 8 THR HB 1 10 TYR H . . 4.170 3.183 2.936 3.357 . 0 0 "[ . 1 . 2]" 1
10 1 8 THR MG 1 22 VAL HB . . 3.490 2.962 1.923 3.434 . 0 0 "[ . 1 . 2]" 1
11 1 8 THR MG 1 58 VAL HA . . 3.890 6.907 6.674 7.157 3.267 6 20 [*****+***-**********] 1
12 1 39 PHE HZ 1 60 ILE MD . . 3.750 10.695 10.350 11.061 7.311 13 20 [**-*********+*******] 1
13 1 60 ILE HB 1 60 ILE MD . . 3.540 2.184 2.016 2.438 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU QD 1 60 ILE MD . . 3.680 5.936 5.144 6.410 2.730 9 20 [********+********-**] 1
15 1 10 TYR HA 1 10 TYR QD . . 4.180 3.111 2.983 3.146 . 0 0 "[ . 1 . 2]" 1
16 1 10 TYR HA 1 24 PRO HB3 . . 4.190 2.320 2.000 2.479 . 0 0 "[ . 1 . 2]" 1
17 1 12 PHE HA 1 12 PHE QD . . 3.870 2.419 2.139 3.038 . 0 0 "[ . 1 . 2]" 1
18 1 22 VAL MG1 1 28 LEU MD1 . . 4.230 2.961 1.906 4.238 0.008 7 0 "[ . 1 . 2]" 1
19 1 22 VAL MG1 1 28 LEU MD2 . . 4.230 2.815 1.834 3.761 . 0 0 "[ . 1 . 2]" 1
20 1 14 ALA MB 1 20 LEU H . . 5.060 3.047 2.319 3.533 . 0 0 "[ . 1 . 2]" 1
21 1 14 ALA MB 1 21 ASP HA . . 4.160 3.173 2.762 3.466 . 0 0 "[ . 1 . 2]" 1
22 1 21 ASP HA 1 22 VAL MG1 . . 5.500 3.850 3.437 4.352 . 0 0 "[ . 1 . 2]" 1
23 1 14 ALA MB 1 21 ASP HB3 . . 4.530 3.418 2.325 4.213 . 0 0 "[ . 1 . 2]" 1
24 1 8 THR HB 1 22 VAL MG1 . . 4.500 3.586 2.914 4.589 0.089 12 0 "[ . 1 . 2]" 1
25 1 6 ALA MB 1 39 PHE QD . . 5.130 4.770 4.089 4.982 . 0 0 "[ . 1 . 2]" 1
26 1 6 ALA MB 1 39 PHE QE . . 5.480 5.192 4.742 5.440 . 0 0 "[ . 1 . 2]" 1
27 1 21 ASP HA 1 22 VAL MG2 . . 5.500 4.787 3.140 5.454 . 0 0 "[ . 1 . 2]" 1
28 1 11 GLU HA 1 23 SER HA . . 3.760 2.252 2.021 2.471 . 0 0 "[ . 1 . 2]" 1
29 1 23 SER HB3 1 26 GLU HB2 . . 5.500 5.034 4.698 5.513 0.013 18 0 "[ . 1 . 2]" 1
30 1 8 THR MG 1 26 GLU HB2 . . 4.240 4.045 3.818 4.243 0.003 16 0 "[ . 1 . 2]" 1
31 1 100 ARG HA 1 100 ARG QG . . 3.390 2.921 2.252 3.391 0.001 12 0 "[ . 1 . 2]" 1
32 1 28 LEU HA 1 44 ILE HG13 . . 5.500 2.276 1.996 3.218 . 0 0 "[ . 1 . 2]" 1
33 1 5 PHE HA 1 29 SER HA . . 4.370 2.618 1.984 2.828 . 0 0 "[ . 1 . 2]" 1
34 1 5 PHE QE 1 29 SER HB2 . . 5.130 3.298 2.085 4.332 . 0 0 "[ . 1 . 2]" 1
35 1 98 GLN HA 1 101 ARG QB . . 4.220 2.319 2.167 2.598 . 0 0 "[ . 1 . 2]" 1
36 1 94 GLN HA 1 97 ASP QB . . 3.570 2.813 2.412 3.758 0.188 9 0 "[ . 1 . 2]" 1
37 1 97 ASP HA 1 100 ARG QB . . 3.630 3.659 2.914 4.246 0.616 12 3 "[ . 1*+ . - 2]" 1
38 1 7 VAL HA 1 27 ASN HA . . 3.940 2.769 2.383 2.982 . 0 0 "[ . 1 . 2]" 1
39 1 31 CYS HA 1 32 ALA MB . . 4.970 4.378 4.221 4.536 . 0 0 "[ . 1 . 2]" 1
40 1 34 TYR HA 1 34 TYR QD . . 3.760 2.757 2.454 3.133 . 0 0 "[ . 1 . 2]" 1
41 1 35 ASP HA 1 36 TYR QD . . 3.840 2.725 2.640 2.789 . 0 0 "[ . 1 . 2]" 1
42 1 92 VAL HA 1 95 TRP HE3 . . 4.540 5.518 1.971 6.590 2.050 19 17 "[****** **** * *-**+*]" 1
43 1 34 TYR HB2 1 91 THR MG . . 4.450 1.931 1.889 2.039 . 0 0 "[ . 1 . 2]" 1
44 1 37 GLU HA 1 37 GLU HG2 . . 3.870 3.423 2.940 3.590 . 0 0 "[ . 1 . 2]" 1
45 1 33 HIS HE1 1 91 THR MG . . 3.800 7.023 6.825 7.205 3.405 15 20 [******-*******+*****] 1
46 1 39 PHE QE 1 55 VAL HA . . 4.740 8.175 7.641 8.472 3.732 13 20 [*********-**+*******] 1
47 1 39 PHE QD 1 55 VAL HA . . 4.530 7.194 6.926 7.933 3.403 13 20 [************+-******] 1
48 1 30 ILE HA 1 41 ALA HA . . 4.320 2.200 1.975 2.638 . 0 0 "[ . 1 . 2]" 1
49 1 30 ILE HA 1 41 ALA MB . . 4.150 3.015 1.990 3.420 . 0 0 "[ . 1 . 2]" 1
50 1 39 PHE QD 1 41 ALA MB . . 4.930 4.806 4.456 4.940 0.010 16 0 "[ . 1 . 2]" 1
51 1 30 ILE MD 1 41 ALA MB . . 3.650 3.167 2.115 3.716 0.066 13 0 "[ . 1 . 2]" 1
52 1 27 ASN HB2 1 44 ILE HB . . 4.950 3.142 2.837 3.665 . 0 0 "[ . 1 . 2]" 1
53 1 27 ASN HB3 1 44 ILE MD . . 4.470 2.283 1.913 3.739 . 0 0 "[ . 1 . 2]" 1
54 1 27 ASN HB2 1 44 ILE MD . . 4.470 2.585 2.009 4.290 . 0 0 "[ . 1 . 2]" 1
55 1 29 SER HB2 1 44 ILE MD . . 4.200 2.925 1.976 3.570 . 0 0 "[ . 1 . 2]" 1
56 1 5 PHE QD 1 44 ILE MD . . 3.590 2.079 1.881 2.603 . 0 0 "[ . 1 . 2]" 1
57 1 5 PHE QE 1 44 ILE MD . . 3.880 2.332 1.892 3.161 . 0 0 "[ . 1 . 2]" 1
58 1 5 PHE QE 1 44 ILE MG . . 5.260 3.327 2.804 3.955 . 0 0 "[ . 1 . 2]" 1
59 1 36 TYR QE 1 85 ASP HA . . 5.290 8.455 8.132 8.977 3.687 18 20 [***************-*+**] 1
60 1 38 TRP HE3 1 53 VAL HA . . 4.250 2.728 2.342 3.320 . 0 0 "[ . 1 . 2]" 1
61 1 38 TRP HZ3 1 53 VAL HA . . 4.830 4.084 3.424 4.765 . 0 0 "[ . 1 . 2]" 1
62 1 4 LEU QD 1 83 ILE MG . . 4.280 4.610 4.393 4.876 0.596 18 2 "[ . - 1 . + 2]" 1
63 1 9 LEU QD 1 57 TYR HA . . 4.650 3.684 3.197 3.839 . 0 0 "[ . 1 . 2]" 1
64 1 83 ILE HG13 1 83 ILE MG . . 3.530 3.184 3.180 3.189 . 0 0 "[ . 1 . 2]" 1
65 1 83 ILE MG 1 84 ILE HA . . 3.630 3.537 3.421 3.617 . 0 0 "[ . 1 . 2]" 1
66 1 80 VAL HA 1 83 ILE HB . . 3.730 2.972 2.809 3.048 . 0 0 "[ . 1 . 2]" 1
67 1 6 ALA HA 1 60 ILE HA . . 3.750 5.175 5.007 5.428 1.678 1 20 [+************-******] 1
68 1 60 ILE HB 1 80 VAL HA . . 5.500 16.386 16.051 16.676 11.176 12 20 [**-********+********] 1
69 1 77 ARG HA 1 80 VAL HA . . 5.500 5.519 5.448 5.546 0.046 14 0 "[ . 1 . 2]" 1
70 1 91 THR MG 1 93 GLU QB . . 5.000 6.098 5.848 6.192 1.192 11 20 [**********+-********] 1
71 1 76 ASP HA 1 77 ARG HA . . 4.790 4.789 4.784 4.798 0.008 16 0 "[ . 1 . 2]" 1
72 1 72 VAL HA 1 73 ASP HA . . 4.760 4.533 4.415 5.075 0.315 11 0 "[ . 1 . 2]" 1
73 1 7 VAL HA 1 7 VAL QG . . 3.130 2.283 2.263 2.324 . 0 0 "[ . 1 . 2]" 1
74 1 13 LYS HA 1 13 LYS QD . . 4.070 3.487 2.095 4.053 . 0 0 "[ . 1 . 2]" 1
75 1 13 LYS QE 1 13 LYS HG2 . . 3.650 2.338 2.044 2.668 . 0 0 "[ . 1 . 2]" 1
76 1 22 VAL HA 1 22 VAL MG1 . . 3.740 2.853 2.009 3.203 . 0 0 "[ . 1 . 2]" 1
77 1 22 VAL HA 1 22 VAL MG2 . . 3.740 2.510 2.144 3.168 . 0 0 "[ . 1 . 2]" 1
78 1 26 GLU HA 1 26 GLU HG2 . . 4.040 2.713 2.231 3.666 . 0 0 "[ . 1 . 2]" 1
79 1 26 GLU HA 1 26 GLU HG3 . . 4.040 3.486 2.556 3.706 . 0 0 "[ . 1 . 2]" 1
80 1 28 LEU HA 1 28 LEU MD2 . . 4.120 3.179 2.432 3.822 . 0 0 "[ . 1 . 2]" 1
81 1 44 ILE HA 1 44 ILE MD . . 4.160 3.753 2.121 3.868 . 0 0 "[ . 1 . 2]" 1
82 1 44 ILE HB 1 44 ILE MD . . 3.530 2.404 2.293 3.228 . 0 0 "[ . 1 . 2]" 1
83 1 44 ILE MD 1 44 ILE MG . . 2.970 2.046 1.901 2.202 . 0 0 "[ . 1 . 2]" 1
84 1 44 ILE HA 1 44 ILE MG . . 3.460 2.337 2.226 2.442 . 0 0 "[ . 1 . 2]" 1
85 1 16 ARG HA 1 16 ARG HD3 . . 3.870 3.035 2.068 3.857 . 0 0 "[ . 1 . 2]" 1
86 1 78 GLU HA 1 78 GLU QG . . 3.390 2.468 2.348 2.607 . 0 0 "[ . 1 . 2]" 1
87 1 83 ILE HA 1 83 ILE MG . . 3.380 2.383 2.353 2.424 . 0 0 "[ . 1 . 2]" 1
88 1 83 ILE HA 1 86 GLU QB . . 3.520 2.920 2.510 3.097 . 0 0 "[ . 1 . 2]" 1
89 1 91 THR HA 1 91 THR MG . . 3.350 2.338 2.264 2.430 . 0 0 "[ . 1 . 2]" 1
90 1 34 TYR HA 1 91 THR MG . . 3.400 2.905 2.509 3.333 . 0 0 "[ . 1 . 2]" 1
91 1 93 GLU HA 1 93 GLU HG2 . . 3.670 3.383 2.830 3.664 . 0 0 "[ . 1 . 2]" 1
92 1 93 GLU HA 1 93 GLU HG3 . . 3.670 3.577 2.639 3.777 0.107 15 0 "[ . 1 . 2]" 1
93 1 9 LEU QD 1 58 VAL HA . . 3.890 3.395 2.856 3.724 . 0 0 "[ . 1 . 2]" 1
94 1 9 LEU HA 1 9 LEU QD . . 2.840 2.257 1.995 2.651 . 0 0 "[ . 1 . 2]" 1
95 1 7 VAL QG 1 9 LEU QD . . 2.960 2.301 1.922 2.681 . 0 0 "[ . 1 . 2]" 1
96 1 60 ILE HA 1 60 ILE MD . . 3.570 4.126 4.055 4.181 0.611 3 17 "[**+******** -**** *]" 1
97 1 9 LEU HA 1 9 LEU HG . . 4.080 3.114 2.897 3.395 . 0 0 "[ . 1 . 2]" 1
98 1 10 TYR HB2 1 12 PHE QD . . 5.500 5.288 4.940 5.502 0.002 1 0 "[ . 1 . 2]" 1
99 1 11 GLU HB3 1 24 PRO HD2 . . 4.870 4.665 4.370 4.874 0.004 4 0 "[ . 1 . 2]" 1
100 1 11 GLU HG3 1 23 SER HA . . 4.950 3.644 3.083 4.719 . 0 0 "[ . 1 . 2]" 1
101 1 11 GLU HG3 1 24 PRO HD3 . . 4.890 4.316 4.043 4.891 0.001 17 0 "[ . 1 . 2]" 1
102 1 11 GLU HA 1 11 GLU HG3 . . 3.940 2.699 2.530 3.435 . 0 0 "[ . 1 . 2]" 1
103 1 11 GLU HG3 1 13 LYS HG2 . . 4.750 4.323 2.406 4.761 0.011 12 0 "[ . 1 . 2]" 1
104 1 77 ARG QG 1 78 GLU QG . . 4.150 5.076 4.987 5.210 1.060 11 20 [**********+*-*******] 1
105 1 11 GLU HG2 1 13 LYS HG2 . . 4.750 4.030 2.584 4.751 0.001 7 0 "[ . 1 . 2]" 1
106 1 11 GLU HA 1 24 PRO HD3 . . 3.940 2.461 2.270 2.508 . 0 0 "[ . 1 . 2]" 1
107 1 11 GLU HA 1 24 PRO HD2 . . 4.340 3.784 3.632 3.872 . 0 0 "[ . 1 . 2]" 1
108 1 11 GLU HA 1 11 GLU HG2 . . 3.940 3.721 3.478 3.818 . 0 0 "[ . 1 . 2]" 1
109 1 13 LYS HB2 1 13 LYS QE . . 5.130 3.824 2.723 4.451 . 0 0 "[ . 1 . 2]" 1
110 1 13 LYS HB3 1 13 LYS QE . . 5.130 3.937 3.382 4.312 . 0 0 "[ . 1 . 2]" 1
111 1 8 THR HA 1 8 THR MG . . 3.180 1.991 1.915 2.169 . 0 0 "[ . 1 . 2]" 1
112 1 13 LYS HA 1 21 ASP HA . . 4.100 3.366 2.363 3.746 . 0 0 "[ . 1 . 2]" 1
113 1 13 LYS HA 1 21 ASP HB2 . . 5.300 3.576 2.494 5.015 . 0 0 "[ . 1 . 2]" 1
114 1 13 LYS HA 1 21 ASP HB3 . . 5.300 4.097 2.645 5.288 . 0 0 "[ . 1 . 2]" 1
115 1 13 LYS HA 1 13 LYS HG2 . . 3.730 3.197 2.831 3.612 . 0 0 "[ . 1 . 2]" 1
116 1 14 ALA MB 1 20 LEU HG . . 5.500 4.636 4.164 4.973 . 0 0 "[ . 1 . 2]" 1
117 1 16 ARG HB3 1 16 ARG HD3 . . 4.010 3.106 2.221 3.675 . 0 0 "[ . 1 . 2]" 1
118 1 16 ARG HB3 1 16 ARG HD2 . . 4.010 2.634 2.160 3.566 . 0 0 "[ . 1 . 2]" 1
119 1 16 ARG HA 1 16 ARG HD2 . . 3.870 2.977 2.027 3.870 . 0 0 "[ . 1 . 2]" 1
120 1 20 LEU HA 1 20 LEU QD . . 3.700 2.442 1.951 3.041 . 0 0 "[ . 1 . 2]" 1
121 1 20 LEU QD 1 43 PRO HD3 . . 5.500 1.905 1.810 2.061 . 0 0 "[ . 1 . 2]" 1
122 1 20 LEU QD 1 43 PRO HD2 . . 5.500 3.168 2.921 3.431 . 0 0 "[ . 1 . 2]" 1
123 1 11 GLU HG2 1 23 SER HA . . 4.950 4.633 4.174 4.882 . 0 0 "[ . 1 . 2]" 1
124 1 11 GLU HB2 1 23 SER HA . . 4.060 3.023 2.750 3.195 . 0 0 "[ . 1 . 2]" 1
125 1 23 SER HA 1 24 PRO HB3 . . 5.300 4.862 4.847 4.867 . 0 0 "[ . 1 . 2]" 1
126 1 23 SER HA 1 24 PRO HG2 . . 4.830 4.582 4.523 4.601 . 0 0 "[ . 1 . 2]" 1
127 1 23 SER HA 1 24 PRO HG3 . . 4.730 4.524 4.478 4.539 . 0 0 "[ . 1 . 2]" 1
128 1 23 SER HA 1 24 PRO HD2 . . 3.690 2.485 2.412 2.508 . 0 0 "[ . 1 . 2]" 1
129 1 23 SER HA 1 24 PRO HD3 . . 3.820 2.335 2.302 2.345 . 0 0 "[ . 1 . 2]" 1
130 1 30 ILE HA 1 30 ILE MD . . 3.890 3.184 2.000 3.874 . 0 0 "[ . 1 . 2]" 1
131 1 4 LEU HG 1 30 ILE HB . . 4.830 2.543 1.973 4.234 . 0 0 "[ . 1 . 2]" 1
132 1 30 ILE MG 1 39 PHE QE . . 4.400 2.446 2.033 3.038 . 0 0 "[ . 1 . 2]" 1
133 1 30 ILE MG 1 39 PHE QD . . 4.440 2.162 1.904 2.659 . 0 0 "[ . 1 . 2]" 1
134 1 30 ILE MG 1 32 ALA H . . 4.340 2.566 2.192 2.942 . 0 0 "[ . 1 . 2]" 1
135 1 4 LEU HG 1 30 ILE MG . . 4.380 3.386 2.351 4.458 0.078 6 0 "[ . 1 . 2]" 1
136 1 30 ILE MD 1 30 ILE MG . . 3.040 1.941 1.884 2.068 . 0 0 "[ . 1 . 2]" 1
137 1 30 ILE HB 1 30 ILE MD . . 3.640 2.715 2.387 3.229 . 0 0 "[ . 1 . 2]" 1
138 1 30 ILE MD 1 39 PHE QB . . 4.240 2.836 2.308 3.457 . 0 0 "[ . 1 . 2]" 1
139 1 30 ILE MD 1 39 PHE HZ . . 4.740 4.179 3.629 4.756 0.016 18 0 "[ . 1 . 2]" 1
140 1 30 ILE MD 1 39 PHE QE . . 4.240 3.321 2.143 3.770 . 0 0 "[ . 1 . 2]" 1
141 1 30 ILE MD 1 39 PHE QD . . 4.140 2.845 1.973 3.368 . 0 0 "[ . 1 . 2]" 1
142 1 30 ILE MD 1 60 ILE MD . . 3.270 6.437 5.807 6.920 3.650 11 20 [**-*******+*********] 1
143 1 34 TYR HB3 1 37 GLU QB . . 5.500 4.413 3.650 5.403 . 0 0 "[ . 1 . 2]" 1
144 1 37 GLU HG2 1 38 TRP HD1 . . 4.330 4.061 3.707 4.525 0.195 1 0 "[ . 1 . 2]" 1
145 1 37 GLU HA 1 37 GLU HG3 . . 3.870 3.829 3.733 3.880 0.010 9 0 "[ . 1 . 2]" 1
146 1 38 TRP HA 1 38 TRP HD1 . . 4.790 4.207 3.950 4.419 . 0 0 "[ . 1 . 2]" 1
147 1 38 TRP HA 1 55 VAL H . . 4.160 5.321 5.063 5.525 1.365 12 20 [***********+*-******] 1
148 1 38 TRP HA 1 54 PRO HA . . 4.350 5.078 4.891 5.246 0.896 19 20 [**-***************+*] 1
149 1 40 ILE MG 1 95 TRP HZ3 . . 4.590 5.715 3.655 8.370 3.780 7 14 "[** *-+*** * *. ****]" 1
150 1 32 ALA H 1 40 ILE MG . . 4.750 3.839 3.483 4.206 . 0 0 "[ . 1 . 2]" 1
151 1 40 ILE H 1 40 ILE MG . . 4.340 3.829 3.794 3.888 . 0 0 "[ . 1 . 2]" 1
152 1 31 CYS HB2 1 40 ILE MG . . 3.850 2.759 2.132 3.287 . 0 0 "[ . 1 . 2]" 1
153 1 40 ILE MD 1 40 ILE MG . . 3.420 2.096 1.961 2.192 . 0 0 "[ . 1 . 2]" 1
154 1 34 TYR HB3 1 40 ILE MD . . 4.820 4.521 3.985 4.825 0.005 7 0 "[ . 1 . 2]" 1
155 1 40 ILE MD 1 92 VAL HA . . 4.350 7.422 7.054 7.762 3.412 19 20 [***********-******+*] 1
156 1 40 ILE HA 1 40 ILE MD . . 3.900 2.052 1.970 2.198 . 0 0 "[ . 1 . 2]" 1
157 1 40 ILE MD 1 52 LEU HA . . 4.740 5.947 5.697 6.121 1.381 10 20 [*********+*******-**] 1
158 1 40 ILE MD 1 95 TRP HZ3 . . 4.990 6.273 3.479 7.879 2.889 17 15 "[** ******** *. +-**]" 1
159 1 34 TYR QD 1 40 ILE MD . . 5.350 4.736 4.181 5.129 . 0 0 "[ . 1 . 2]" 1
160 1 39 PHE QD 1 40 ILE MD . . 5.500 4.994 4.777 5.317 . 0 0 "[ . 1 . 2]" 1
161 1 40 ILE H 1 40 ILE MD . . 4.700 3.138 2.882 3.266 . 0 0 "[ . 1 . 2]" 1
162 1 40 ILE MD 1 41 ALA H . . 4.540 3.980 3.895 4.042 . 0 0 "[ . 1 . 2]" 1
163 1 29 SER HB3 1 42 LYS HB2 . . 5.500 4.514 2.923 5.216 . 0 0 "[ . 1 . 2]" 1
164 1 29 SER HB3 1 42 LYS HB3 . . 5.500 4.783 4.060 5.291 . 0 0 "[ . 1 . 2]" 1
165 1 42 LYS HA 1 43 PRO QG . . 4.490 4.033 4.001 4.060 . 0 0 "[ . 1 . 2]" 1
166 1 27 ASN HB3 1 44 ILE HG13 . . 5.500 4.288 2.461 4.710 . 0 0 "[ . 1 . 2]" 1
167 1 27 ASN HB2 1 44 ILE HG13 . . 5.500 4.178 2.686 4.668 . 0 0 "[ . 1 . 2]" 1
168 1 27 ASN HB3 1 44 ILE HB . . 4.950 4.081 3.629 4.624 . 0 0 "[ . 1 . 2]" 1
169 1 42 LYS QD 1 43 PRO HD2 . . 5.500 3.853 2.744 4.298 . 0 0 "[ . 1 . 2]" 1
170 1 38 TRP HE3 1 52 LEU HA . . 5.500 3.823 3.558 4.178 . 0 0 "[ . 1 . 2]" 1
171 1 10 TYR QE 1 57 TYR HA . . 4.340 6.286 5.785 7.093 2.753 3 20 [**+****-************] 1
172 1 10 TYR QD 1 57 TYR HA . . 3.910 5.164 4.764 5.813 1.903 3 20 [**+****-************] 1
173 1 10 TYR H 1 57 TYR HA . . 5.060 4.732 4.409 5.028 . 0 0 "[ . 1 . 2]" 1
174 1 7 VAL QG 1 58 VAL HA . . 5.290 4.180 4.053 4.422 . 0 0 "[ . 1 . 2]" 1
175 1 9 LEU QD 1 59 ARG HA . . 3.820 6.346 5.909 6.628 2.808 4 20 [***+***********-****] 1
176 1 7 VAL QG 1 59 ARG HA . . 4.580 4.664 4.321 4.853 0.273 11 0 "[ . 1 . 2]" 1
177 1 6 ALA MB 1 59 ARG HA . . 4.960 2.533 2.104 2.686 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLU QB 1 16 ARG HG2 . . 3.520 3.193 2.902 3.510 . 0 0 "[ . 1 . 2]" 1
179 1 6 ALA MB 1 60 ILE HB . . 5.130 6.343 6.157 6.504 1.374 1 20 [+************-******] 1
180 1 60 ILE HA 1 60 ILE MG . . 3.330 2.167 2.105 2.286 . 0 0 "[ . 1 . 2]" 1
181 1 60 ILE MG 1 69 TYR QB . . 4.440 3.138 2.749 3.653 . 0 0 "[ . 1 . 2]" 1
182 1 60 ILE MG 1 61 ILE HA . . 4.780 5.495 5.392 5.647 0.867 12 20 [*******-***+********] 1
183 1 4 LEU HA 1 60 ILE MG . . 5.500 7.932 7.444 8.261 2.761 20 20 [**-****************+] 1
184 1 39 PHE HZ 1 60 ILE MG . . 4.870 9.511 9.102 9.768 4.898 13 20 [**-*********+*******] 1
185 1 4 LEU QD 1 60 ILE MG . . 3.200 5.897 5.329 6.364 3.164 9 20 [********+*-*********] 1
186 1 60 ILE HG12 1 60 ILE MG . . 3.500 2.096 1.961 2.268 . 0 0 "[ . 1 . 2]" 1
187 1 60 ILE HG13 1 60 ILE MG . . 3.500 3.124 3.032 3.188 . 0 0 "[ . 1 . 2]" 1
188 1 7 VAL QG 1 60 ILE HA . . 5.260 5.047 4.583 5.372 0.112 1 0 "[ . 1 . 2]" 1
189 1 83 ILE HG12 1 83 ILE MG . . 3.530 2.306 2.264 2.365 . 0 0 "[ . 1 . 2]" 1
190 1 63 LEU HA 1 66 PRO QB . . 4.400 8.365 8.123 8.775 4.375 8 20 [*******+***-********] 1
191 1 68 LYS QB 1 68 LYS HD2 . . 3.840 2.310 2.273 2.349 . 0 0 "[ . 1 . 2]" 1
192 1 5 PHE HB3 1 44 ILE MD . . 5.210 3.540 2.096 3.936 . 0 0 "[ . 1 . 2]" 1
193 1 68 LYS HA 1 68 LYS HD2 . . 4.980 3.377 3.185 3.604 . 0 0 "[ . 1 . 2]" 1
194 1 29 SER HA 1 41 ALA MB . . 4.840 4.363 3.813 4.676 . 0 0 "[ . 1 . 2]" 1
195 1 34 TYR QD 1 35 ASP HA . . 5.500 5.253 4.599 5.490 . 0 0 "[ . 1 . 2]" 1
196 1 72 VAL HA 1 83 ILE MD . . 5.180 10.107 9.853 10.553 5.373 11 20 [**********+*****-***] 1
197 1 34 TYR QE 1 91 THR MG . . 5.310 3.926 3.787 4.119 . 0 0 "[ . 1 . 2]" 1
198 1 34 TYR QD 1 91 THR MG . . 5.030 2.102 1.935 2.458 . 0 0 "[ . 1 . 2]" 1
199 1 56 SER HA 1 75 TYR HA . . 4.400 12.884 12.038 13.309 8.909 6 20 [*****+***-**********] 1
200 1 74 THR HA 1 75 TYR HA . . 4.910 4.774 4.742 4.790 . 0 0 "[ . 1 . 2]" 1
201 1 36 TYR QB 1 77 ARG QB . . 4.390 7.357 7.208 7.503 3.113 11 20 [**-*******+*********] 1
202 1 79 GLN HA 1 81 MET QB . . 5.300 5.345 5.216 5.492 0.192 18 0 "[ . 1 . 2]" 1
203 1 79 GLN HA 1 80 VAL HA . . 5.040 4.775 4.771 4.779 . 0 0 "[ . 1 . 2]" 1
204 1 78 GLU HA 1 79 GLN HA . . 4.860 4.825 4.808 4.833 . 0 0 "[ . 1 . 2]" 1
205 1 81 MET HA 1 81 MET QG . . 3.860 2.453 2.139 2.535 . 0 0 "[ . 1 . 2]" 1
206 1 77 ARG HA 1 81 MET QG . . 4.790 4.337 4.106 5.445 0.655 1 1 "[+ . 1 . 2]" 1
207 1 78 GLU HA 1 81 MET QG . . 5.180 3.956 3.763 4.601 . 0 0 "[ . 1 . 2]" 1
208 1 36 TYR QE 1 81 MET QG . . 3.390 6.658 6.498 7.062 3.672 1 20 [+*************-*****] 1
209 1 36 TYR QD 1 81 MET QG . . 3.730 7.093 6.909 7.694 3.964 1 20 [+*******-***********] 1
210 1 82 LYS HA 1 85 ASP HB2 . . 4.110 2.859 2.751 3.120 . 0 0 "[ . 1 . 2]" 1
211 1 82 LYS HA 1 85 ASP HB3 . . 4.110 4.453 4.340 4.730 0.620 6 1 "[ .+ 1 . 2]" 1
212 1 80 VAL HA 1 83 ILE MD . . 3.590 3.330 3.207 3.439 . 0 0 "[ . 1 . 2]" 1
213 1 83 ILE HA 1 83 ILE MD . . 4.050 3.833 3.804 3.853 . 0 0 "[ . 1 . 2]" 1
214 1 42 LYS QD 1 43 PRO HD3 . . 5.500 5.243 4.045 5.506 0.006 14 0 "[ . 1 . 2]" 1
215 1 83 ILE HB 1 83 ILE MD . . 3.580 2.366 2.330 2.426 . 0 0 "[ . 1 . 2]" 1
216 1 83 ILE MD 1 83 ILE MG . . 3.040 2.082 1.922 2.154 . 0 0 "[ . 1 . 2]" 1
217 1 72 VAL H 1 83 ILE MD . . 5.500 9.595 9.340 10.204 4.704 11 20 [**********+********-] 1
218 1 39 PHE HZ 1 84 ILE HA . . 4.850 8.571 8.389 8.921 4.071 6 20 [*****+***********-**] 1
219 1 32 ALA MB 1 40 ILE MG . . 4.400 3.925 3.732 4.221 . 0 0 "[ . 1 . 2]" 1
220 1 5 PHE QD 1 29 SER HA . . 4.340 3.008 1.992 3.420 . 0 0 "[ . 1 . 2]" 1
221 1 90 PRO HA 1 91 THR HA . . 5.000 4.300 4.297 4.308 . 0 0 "[ . 1 . 2]" 1
222 1 33 HIS HD2 1 91 THR MG . . 4.250 5.269 4.932 5.743 1.493 19 20 [**-***************+*] 1
223 1 32 ALA MB 1 92 VAL HA . . 3.550 6.329 5.831 6.792 3.242 19 20 [******-***********+*] 1
224 1 32 ALA MB 1 95 TRP QB . . 4.000 6.485 6.176 6.807 2.807 19 20 [******-***********+*] 1
225 1 86 GLU QB 1 87 PHE HA . . 4.260 4.706 4.669 4.756 0.496 6 0 "[ . 1 . 2]" 1
226 1 32 ALA MB 1 95 TRP HA . . 4.420 6.613 6.326 6.892 2.472 12 20 [***********+*****-**] 1
227 1 92 VAL HA 1 95 TRP QB . . 3.870 2.856 2.660 3.114 . 0 0 "[ . 1 . 2]" 1
228 1 92 VAL HA 1 95 TRP HA . . 5.500 5.493 5.407 5.617 0.117 7 0 "[ . 1 . 2]" 1
229 1 32 ALA MB 1 95 TRP HE3 . . 4.270 6.012 5.519 6.830 2.560 19 20 [***************-**+*] 1
230 1 39 PHE QB 1 41 ALA MB . . 3.920 3.384 3.199 3.551 . 0 0 "[ . 1 . 2]" 1
231 1 96 LYS HA 1 100 ARG QG . . 4.350 4.221 3.534 4.759 0.409 8 0 "[ . 1 . 2]" 1
232 1 100 ARG HA 1 100 ARG QD . . 3.810 4.016 2.232 4.335 0.525 1 5 "[+ * -* 1 * 2]" 1
233 1 100 ARG QB 1 100 ARG QD . . 3.180 2.204 2.029 2.892 . 0 0 "[ . 1 . 2]" 1
234 1 101 ARG QB 1 101 ARG HD2 . . 3.580 2.280 2.263 2.339 . 0 0 "[ . 1 . 2]" 1
235 1 99 THR HA 1 102 TYR QB . . 4.730 3.000 2.547 3.232 . 0 0 "[ . 1 . 2]" 1
236 1 103 LYS HA 1 103 LYS HG2 . . 3.780 3.024 2.084 3.733 . 0 0 "[ . 1 . 2]" 1
237 1 13 LYS QE 1 13 LYS HG3 . . 3.650 2.799 2.428 3.285 . 0 0 "[ . 1 . 2]" 1
238 1 42 LYS QE 1 42 LYS QG . . 3.360 2.244 2.044 2.488 . 0 0 "[ . 1 . 2]" 1
239 1 11 GLU HB3 1 13 LYS QE . . 5.200 4.533 3.385 5.163 . 0 0 "[ . 1 . 2]" 1
240 1 30 ILE HA 1 39 PHE QB . . 5.250 4.679 4.485 5.001 . 0 0 "[ . 1 . 2]" 1
241 1 103 LYS HA 1 103 LYS HG3 . . 3.780 3.564 2.668 3.797 0.017 17 0 "[ . 1 . 2]" 1
242 1 101 ARG HA 1 104 GLU QB . . 3.930 7.286 5.092 8.933 5.003 12 20 [***********+******-*] 1
243 1 106 SER HA 1 107 ILE HA . . 4.850 4.431 4.292 4.767 . 0 0 "[ . 1 . 2]" 1
244 1 8 THR HB 1 24 PRO HA . . 3.800 2.623 2.573 2.702 . 0 0 "[ . 1 . 2]" 1
245 1 8 THR MG 1 24 PRO HA . . 4.180 4.190 3.897 4.249 0.069 8 0 "[ . 1 . 2]" 1
246 1 6 ALA MB 1 8 THR HA . . 5.470 4.890 4.800 4.956 . 0 0 "[ . 1 . 2]" 1
247 1 8 THR HB 1 26 GLU HB2 . . 4.190 4.045 3.675 4.208 0.018 8 0 "[ . 1 . 2]" 1
248 1 28 LEU HA 1 43 PRO HA . . 4.490 3.525 3.163 3.722 . 0 0 "[ . 1 . 2]" 1
249 1 43 PRO HA 1 44 ILE HA . . 4.820 4.406 4.383 4.465 . 0 0 "[ . 1 . 2]" 1
250 1 90 PRO HA 1 94 GLN QB . . 4.960 5.002 4.687 5.227 0.267 14 0 "[ . 1 . 2]" 1
251 1 38 TRP QB 1 54 PRO HA . . 4.880 6.675 6.498 6.866 1.986 12 20 [***********+*-******] 1
252 1 54 PRO HA 1 55 VAL HA . . 5.500 4.720 4.701 4.744 . 0 0 "[ . 1 . 2]" 1
253 1 10 TYR HA 1 24 PRO HG3 . . 4.550 3.379 3.188 3.459 . 0 0 "[ . 1 . 2]" 1
254 1 78 GLU QB 1 79 GLN HA . . 4.260 3.787 3.773 3.801 . 0 0 "[ . 1 . 2]" 1
255 1 4 LEU QB 1 60 ILE MG . . 4.600 7.191 6.571 8.645 4.045 4 20 [*-*+****************] 1
256 1 4 LEU HG 1 60 ILE MG . . 5.500 8.859 8.071 9.415 3.915 19 20 [*-****************+*] 1
257 1 4 LEU HG 1 60 ILE MD . . 5.500 8.409 7.735 9.372 3.872 4 20 [***+*************-**] 1
258 1 4 LEU QD 1 30 ILE HB . . 3.720 2.096 1.912 2.495 . 0 0 "[ . 1 . 2]" 1
259 1 5 PHE HA 1 29 SER HB2 . . 5.500 5.106 3.787 5.512 0.012 13 0 "[ . 1 . 2]" 1
260 1 5 PHE HA 1 29 SER HB3 . . 5.500 5.410 4.900 5.519 0.019 2 0 "[ . 1 . 2]" 1
261 1 6 ALA HA 1 7 VAL QG . . 3.890 3.550 3.432 3.699 . 0 0 "[ . 1 . 2]" 1
262 1 6 ALA MB 1 28 LEU HB2 . . 4.460 3.333 3.077 3.585 . 0 0 "[ . 1 . 2]" 1
263 1 6 ALA MB 1 30 ILE HB . . 5.080 4.126 3.835 4.798 . 0 0 "[ . 1 . 2]" 1
264 1 6 ALA MB 1 30 ILE MG . . 4.250 4.075 3.889 4.260 0.010 2 0 "[ . 1 . 2]" 1
265 1 6 ALA MB 1 30 ILE MD . . 3.130 1.869 1.804 1.973 . 0 0 "[ . 1 . 2]" 1
266 1 6 ALA MB 1 7 VAL HB . . 5.020 4.918 4.792 5.059 0.039 10 0 "[ . 1 . 2]" 1
267 1 6 ALA MB 1 41 ALA MB . . 3.600 3.256 2.897 3.491 . 0 0 "[ . 1 . 2]" 1
268 1 7 VAL QG 1 8 THR H . . 3.700 2.415 2.232 2.656 . 0 0 "[ . 1 . 2]" 1
269 1 7 VAL H 1 7 VAL QG . . 3.310 1.991 1.912 2.115 . 0 0 "[ . 1 . 2]" 1
270 1 7 VAL QG 1 8 THR HA . . 4.610 3.798 3.739 3.877 . 0 0 "[ . 1 . 2]" 1
271 1 8 THR HA 1 9 LEU QD . . 4.740 4.057 3.682 4.299 . 0 0 "[ . 1 . 2]" 1
272 1 8 THR HB 1 24 PRO HB2 . . 5.380 5.309 5.235 5.407 0.027 12 0 "[ . 1 . 2]" 1
273 1 8 THR HB 1 24 PRO HB3 . . 4.590 4.456 4.292 4.601 0.011 12 0 "[ . 1 . 2]" 1
274 1 8 THR HB 1 22 VAL HB . . 5.500 4.933 3.390 5.614 0.114 8 0 "[ . 1 . 2]" 1
275 1 8 THR HB 1 22 VAL MG2 . . 4.500 3.239 2.699 4.251 . 0 0 "[ . 1 . 2]" 1
276 1 8 THR HA 1 9 LEU HG . . 4.770 3.579 3.368 3.824 . 0 0 "[ . 1 . 2]" 1
277 1 9 LEU HG 1 58 VAL HA . . 4.290 4.629 4.180 4.954 0.664 4 6 "[ *+. ** 1 -*. 2]" 1
278 1 28 LEU HA 1 28 LEU MD1 . . 4.120 3.137 1.937 3.948 . 0 0 "[ . 1 . 2]" 1
279 1 28 LEU HA 1 44 ILE HG12 . . 5.500 3.642 1.997 4.151 . 0 0 "[ . 1 . 2]" 1
280 1 10 TYR HA 1 24 PRO HG2 . . 4.870 4.805 4.559 4.892 0.022 18 0 "[ . 1 . 2]" 1
281 1 11 GLU HB3 1 23 SER HA . . 4.650 4.461 4.217 4.641 . 0 0 "[ . 1 . 2]" 1
282 1 11 GLU HB2 1 24 PRO HD2 . . 3.810 2.947 2.702 3.129 . 0 0 "[ . 1 . 2]" 1
283 1 11 GLU HB2 1 24 PRO HD3 . . 3.910 2.082 1.994 2.207 . 0 0 "[ . 1 . 2]" 1
284 1 11 GLU HB3 1 24 PRO HD3 . . 4.310 3.512 3.280 3.711 . 0 0 "[ . 1 . 2]" 1
285 1 11 GLU HG2 1 13 LYS QE . . 5.120 3.440 2.371 4.691 . 0 0 "[ . 1 . 2]" 1
286 1 11 GLU HG2 1 13 LYS HG3 . . 4.750 3.405 2.475 4.745 . 0 0 "[ . 1 . 2]" 1
287 1 11 GLU HG3 1 13 LYS QD . . 4.670 3.797 2.339 4.668 . 0 0 "[ . 1 . 2]" 1
288 1 11 GLU HG2 1 13 LYS QD . . 4.670 3.593 2.655 4.620 . 0 0 "[ . 1 . 2]" 1
289 1 11 GLU HG3 1 13 LYS QE . . 5.120 4.193 2.384 5.120 . 0 0 "[ . 1 . 2]" 1
290 1 13 LYS HA 1 13 LYS HG3 . . 3.730 2.774 2.400 3.732 0.002 15 0 "[ . 1 . 2]" 1
291 1 14 ALA MB 1 20 LEU HA . . 4.000 2.769 2.301 3.060 . 0 0 "[ . 1 . 2]" 1
292 1 14 ALA MB 1 21 ASP HB2 . . 4.530 3.494 2.515 4.508 . 0 0 "[ . 1 . 2]" 1
293 1 14 ALA MB 1 19 GLU HB2 . . 3.740 2.536 1.941 3.596 . 0 0 "[ . 1 . 2]" 1
294 1 14 ALA MB 1 19 GLU HB3 . . 3.740 2.260 1.943 2.896 . 0 0 "[ . 1 . 2]" 1
295 1 93 GLU HA 1 94 GLN HA . . 4.860 4.777 4.743 4.805 . 0 0 "[ . 1 . 2]" 1
296 1 12 PHE QE 1 19 GLU HA . . 5.010 4.067 3.542 4.836 . 0 0 "[ . 1 . 2]" 1
297 1 14 ALA MB 1 15 GLU HA . . 4.410 4.051 3.975 4.204 . 0 0 "[ . 1 . 2]" 1
298 1 12 PHE QE 1 14 ALA HA . . 5.230 3.540 2.812 4.174 . 0 0 "[ . 1 . 2]" 1
299 1 13 LYS HA 1 14 ALA HA . . 5.500 4.424 4.330 4.482 . 0 0 "[ . 1 . 2]" 1
300 1 22 VAL HB 1 28 LEU MD2 . . 4.770 3.291 2.544 3.937 . 0 0 "[ . 1 . 2]" 1
301 1 20 LEU QD 1 43 PRO QG . . 3.540 2.437 2.097 2.799 . 0 0 "[ . 1 . 2]" 1
302 1 21 ASP HB3 1 22 VAL H . . 4.460 3.980 3.005 4.342 . 0 0 "[ . 1 . 2]" 1
303 1 21 ASP HA 1 22 VAL HA . . 4.800 4.433 4.398 4.467 . 0 0 "[ . 1 . 2]" 1
304 1 20 LEU HG 1 22 VAL HA . . 5.500 5.266 4.668 5.530 0.030 8 0 "[ . 1 . 2]" 1
305 1 22 VAL HA 1 28 LEU MD1 . . 5.340 4.684 4.168 5.186 . 0 0 "[ . 1 . 2]" 1
306 1 22 VAL MG2 1 28 LEU MD2 . . 4.230 2.545 1.868 3.869 . 0 0 "[ . 1 . 2]" 1
307 1 22 VAL MG2 1 28 LEU MD1 . . 4.230 2.531 1.869 4.233 0.003 11 0 "[ . 1 . 2]" 1
308 1 11 GLU HA 1 23 SER HB3 . . 5.500 4.708 4.206 4.975 . 0 0 "[ . 1 . 2]" 1
309 1 97 ASP HA 1 98 GLN HA . . 5.500 4.767 4.726 4.803 . 0 0 "[ . 1 . 2]" 1
310 1 23 SER HB2 1 26 GLU HB2 . . 5.500 4.314 3.936 4.997 . 0 0 "[ . 1 . 2]" 1
311 1 23 SER HB2 1 24 PRO HD2 . . 3.870 3.399 1.966 3.635 . 0 0 "[ . 1 . 2]" 1
312 1 23 SER HB3 1 24 PRO HD2 . . 3.870 2.151 1.996 3.551 . 0 0 "[ . 1 . 2]" 1
313 1 11 GLU HG2 1 24 PRO HD3 . . 4.890 4.713 4.322 4.893 0.003 13 0 "[ . 1 . 2]" 1
314 1 10 TYR HB3 1 11 GLU HB3 . . 4.660 4.601 4.424 4.668 0.008 20 0 "[ . 1 . 2]" 1
315 1 11 GLU HA 1 24 PRO HG2 . . 5.500 5.430 5.252 5.482 . 0 0 "[ . 1 . 2]" 1
316 1 11 GLU HA 1 24 PRO HG3 . . 4.620 4.595 4.374 4.653 0.033 16 0 "[ . 1 . 2]" 1
317 1 11 GLU HG3 1 13 LYS HG3 . . 4.750 3.447 2.520 4.753 0.003 15 0 "[ . 1 . 2]" 1
318 1 27 ASN HA 1 44 ILE MD . . 5.500 3.727 3.340 5.032 . 0 0 "[ . 1 . 2]" 1
319 1 27 ASN HB3 1 44 ILE HG12 . . 5.500 5.030 3.752 5.424 . 0 0 "[ . 1 . 2]" 1
320 1 27 ASN HB3 1 44 ILE MG . . 4.800 4.174 3.905 4.461 . 0 0 "[ . 1 . 2]" 1
321 1 6 ALA MB 1 28 LEU HB3 . . 4.460 4.330 3.922 4.474 0.014 10 0 "[ . 1 . 2]" 1
322 1 6 ALA MB 1 60 ILE MG . . 3.800 4.846 4.610 5.012 1.212 4 20 [***+*********-******] 1
323 1 22 VAL HB 1 28 LEU MD1 . . 4.770 3.510 2.929 4.044 . 0 0 "[ . 1 . 2]" 1
324 1 22 VAL HA 1 28 LEU MD2 . . 5.340 4.557 4.157 5.054 . 0 0 "[ . 1 . 2]" 1
325 1 6 ALA HA 1 60 ILE MD . . 4.580 3.770 3.405 3.985 . 0 0 "[ . 1 . 2]" 1
326 1 29 SER HB2 1 44 ILE MG . . 4.230 4.217 4.005 4.258 0.028 8 0 "[ . 1 . 2]" 1
327 1 4 LEU QD 1 30 ILE MD . . 3.180 2.373 1.691 3.199 0.019 16 0 "[ . 1 . 2]" 1
328 1 30 ILE MD 1 41 ALA HA . . 5.070 4.254 2.836 5.097 0.027 3 0 "[ . 1 . 2]" 1
329 1 5 PHE HA 1 30 ILE MD . . 4.900 4.309 3.804 4.845 . 0 0 "[ . 1 . 2]" 1
330 1 6 ALA HA 1 30 ILE MD . . 5.180 3.951 3.341 4.435 . 0 0 "[ . 1 . 2]" 1
331 1 4 LEU QD 1 30 ILE MG . . 2.520 2.295 1.860 2.563 0.043 13 0 "[ . 1 . 2]" 1
332 1 30 ILE MG 1 39 PHE QB . . 5.010 3.306 2.836 4.006 . 0 0 "[ . 1 . 2]" 1
333 1 31 CYS HB3 1 40 ILE HB . . 4.720 4.239 3.672 4.706 . 0 0 "[ . 1 . 2]" 1
334 1 31 CYS HB2 1 40 ILE HB . . 4.550 2.575 1.990 3.103 . 0 0 "[ . 1 . 2]" 1
335 1 31 CYS HB3 1 40 ILE MG . . 4.890 4.069 3.348 4.690 . 0 0 "[ . 1 . 2]" 1
336 1 31 CYS HB2 1 32 ALA MB . . 4.730 3.352 3.244 4.098 . 0 0 "[ . 1 . 2]" 1
337 1 31 CYS HB3 1 32 ALA MB . . 4.860 3.752 3.222 3.887 . 0 0 "[ . 1 . 2]" 1
338 1 32 ALA MB 1 40 ILE MD . . 4.330 4.170 4.013 4.299 . 0 0 "[ . 1 . 2]" 1
339 1 32 ALA MB 1 40 ILE H . . 5.310 4.227 4.065 4.472 . 0 0 "[ . 1 . 2]" 1
340 1 32 ALA MB 1 91 THR H . . 5.500 3.173 2.956 3.511 . 0 0 "[ . 1 . 2]" 1
341 1 33 HIS HA 1 39 PHE HA . . 4.500 2.248 2.037 2.334 . 0 0 "[ . 1 . 2]" 1
342 1 37 GLU HA 1 55 VAL H . . 4.620 5.785 5.409 6.204 1.584 9 20 [********+*******-***] 1
343 1 36 TYR QB 1 37 GLU HA . . 4.870 4.245 4.193 4.328 . 0 0 "[ . 1 . 2]" 1
344 1 40 ILE MG 1 95 TRP HZ2 . . 4.770 5.765 3.663 7.788 3.018 7 15 "[ * **+***** *- ****]" 1
345 1 40 ILE HA 1 41 ALA MB . . 4.600 4.126 4.072 4.176 . 0 0 "[ . 1 . 2]" 1
346 1 42 LYS H 1 42 LYS QG . . 4.830 2.281 1.936 3.412 . 0 0 "[ . 1 . 2]" 1
347 1 105 SER HA 1 105 SER QB . . 2.780 2.295 2.169 2.467 . 0 0 "[ . 1 . 2]" 1
348 1 27 ASN HB2 1 44 ILE MG . . 4.800 3.752 3.583 4.161 . 0 0 "[ . 1 . 2]" 1
349 1 29 SER H 1 44 ILE MG . . 5.500 5.228 4.977 5.485 . 0 0 "[ . 1 . 2]" 1
350 1 27 ASN H 1 44 ILE MG . . 5.500 5.505 5.423 5.561 0.061 18 0 "[ . 1 . 2]" 1
351 1 44 ILE MG 1 45 ASN HA . . 4.770 3.702 3.383 4.102 . 0 0 "[ . 1 . 2]" 1
352 1 28 LEU HA 1 44 ILE MG . . 5.190 4.914 4.732 5.201 0.011 8 0 "[ . 1 . 2]" 1
353 1 28 LEU H 1 44 ILE MD . . 4.930 3.191 2.688 3.744 . 0 0 "[ . 1 . 2]" 1
354 1 19 GLU HA 1 20 LEU HA . . 5.040 4.421 4.383 4.561 . 0 0 "[ . 1 . 2]" 1
355 1 39 PHE QB 1 55 VAL HA . . 5.280 7.603 7.320 7.967 2.687 3 20 [**+**********-******] 1
356 1 7 VAL QG 1 9 LEU HA . . 5.090 3.895 3.798 3.976 . 0 0 "[ . 1 . 2]" 1
357 1 60 ILE HA 1 83 ILE MG . . 5.500 11.438 11.068 11.791 6.291 12 20 [**********-+********] 1
358 1 60 ILE HB 1 83 ILE MG . . 4.610 13.193 12.829 13.579 8.969 12 20 [-**********+********] 1
359 1 6 ALA HA 1 60 ILE MG . . 4.690 4.122 3.867 4.229 . 0 0 "[ . 1 . 2]" 1
360 1 60 ILE MD 1 83 ILE HB . . 5.500 13.919 13.534 14.163 8.663 9 20 [**-*****+***********] 1
361 1 65 ASP QB 1 68 LYS QB . . 4.180 5.680 5.460 6.065 1.885 13 20 [***********-+*******] 1
362 1 9 LEU QD 1 70 ALA HA . . 5.500 6.437 5.960 6.738 1.238 14 19 [****.****-***+******] 1
363 1 60 ILE MD 1 74 THR HA . . 5.500 13.263 12.793 13.522 8.022 16 20 [**-************+****] 1
364 1 91 THR MG 1 92 VAL HA . . 5.370 5.345 5.314 5.357 . 0 0 "[ . 1 . 2]" 1
365 1 78 GLU HA 1 81 MET HA . . 5.500 5.700 5.614 5.834 0.334 18 0 "[ . 1 . 2]" 1
366 1 78 GLU HA 1 81 MET QB . . 3.760 3.074 2.912 3.243 . 0 0 "[ . 1 . 2]" 1
367 1 80 VAL HA 1 83 ILE MG . . 4.700 4.288 4.063 4.365 . 0 0 "[ . 1 . 2]" 1
368 1 85 ASP HA 1 88 LYS HA . . 3.860 9.020 8.952 9.114 5.254 4 20 [***+*-**************] 1
369 1 77 ARG QB 1 81 MET QG . . 5.250 4.350 4.158 5.212 . 0 0 "[ . 1 . 2]" 1
370 1 93 GLU HA 1 96 LYS HA . . 5.500 5.649 5.527 5.744 0.244 10 0 "[ . 1 . 2]" 1
371 1 94 GLN QB 1 97 ASP QB . . 4.780 4.674 4.334 5.412 0.632 8 4 "[ * +*1 - 2]" 1
372 1 95 TRP HA 1 98 GLN HA . . 5.500 5.746 5.521 5.883 0.383 10 0 "[ . 1 . 2]" 1
373 1 96 LYS HA 1 100 ARG QB . . 5.500 4.883 4.033 5.914 0.414 14 0 "[ . 1 . 2]" 1
374 1 10 TYR HB3 1 11 GLU HA . . 5.480 4.788 4.668 4.920 . 0 0 "[ . 1 . 2]" 1
375 1 97 ASP HA 1 100 ARG QG . . 4.760 2.936 1.972 4.100 . 0 0 "[ . 1 . 2]" 1
376 1 97 ASP HA 1 100 ARG QD . . 5.300 3.392 1.987 4.656 . 0 0 "[ . 1 . 2]" 1
377 1 93 GLU HA 1 97 ASP QB . . 5.450 5.009 4.657 5.425 . 0 0 "[ . 1 . 2]" 1
378 1 97 ASP QB 1 98 GLN HA . . 5.500 3.925 3.781 4.383 . 0 0 "[ . 1 . 2]" 1
379 1 100 ARG HA 1 103 LYS QB . . 3.360 2.664 2.045 3.638 0.278 8 0 "[ . 1 . 2]" 1
380 1 102 TYR QB 1 103 LYS QB . . 4.800 4.420 3.849 4.934 0.134 8 0 "[ . 1 . 2]" 1
381 1 102 TYR QB 1 103 LYS HG2 . . 5.500 4.432 3.148 6.287 0.787 16 1 "[ . 1 .+ 2]" 1
382 1 102 TYR QB 1 103 LYS HG3 . . 5.500 5.343 3.021 6.431 0.931 7 7 "[ . + -1 ***.** 2]" 1
383 1 27 ASN HB2 1 44 ILE HG12 . . 5.500 5.087 3.674 5.507 0.007 18 0 "[ . 1 . 2]" 1
384 1 8 THR HB 1 58 VAL HA . . 5.100 8.872 8.671 9.211 4.111 4 20 [***+-***************] 1
385 1 32 ALA MB 1 90 PRO HA . . 4.640 2.811 2.432 3.077 . 0 0 "[ . 1 . 2]" 1
386 1 11 GLU HA 1 23 SER HB2 . . 5.500 5.154 4.660 5.433 . 0 0 "[ . 1 . 2]" 1
387 1 3 PRO HB3 1 5 PHE QE . . 4.550 3.761 2.622 4.490 . 0 0 "[ . 1 . 2]" 1
388 1 40 ILE MD 1 95 TRP HE3 . . 4.710 5.484 4.780 6.750 2.040 15 12 "[ **- * * ***+** *2]" 1
389 1 3 PRO HB2 1 5 PHE QE . . 4.550 2.419 2.000 2.810 . 0 0 "[ . 1 . 2]" 1
390 1 60 ILE H 1 61 ILE H . . 4.540 4.406 4.287 4.482 . 0 0 "[ . 1 . 2]" 1
391 1 5 PHE H 1 5 PHE QD . . 4.240 2.804 2.561 3.445 . 0 0 "[ . 1 . 2]" 1
392 1 4 LEU HA 1 5 PHE H . . 3.420 2.242 2.139 2.330 . 0 0 "[ . 1 . 2]" 1
393 1 5 PHE QD 1 6 ALA H . . 4.150 3.870 3.611 4.105 . 0 0 "[ . 1 . 2]" 1
394 1 6 ALA H 1 28 LEU H . . 4.030 3.495 3.229 3.890 . 0 0 "[ . 1 . 2]" 1
395 1 27 ASN HA 1 28 LEU H . . 3.480 2.160 2.140 2.218 . 0 0 "[ . 1 . 2]" 1
396 1 7 VAL HA 1 28 LEU H . . 4.400 3.061 2.443 3.439 . 0 0 "[ . 1 . 2]" 1
397 1 7 VAL HA 1 8 THR H . . 3.560 2.150 2.139 2.162 . 0 0 "[ . 1 . 2]" 1
398 1 8 THR H 1 27 ASN HA . . 4.810 3.920 3.503 4.243 . 0 0 "[ . 1 . 2]" 1
399 1 8 THR H 1 26 GLU H . . 3.830 3.631 3.355 3.835 0.005 8 0 "[ . 1 . 2]" 1
400 1 96 LYS H 1 98 GLN H . . 4.290 4.289 3.956 4.531 0.241 20 0 "[ . 1 . 2]" 1
401 1 6 ALA H 1 29 SER HA . . 4.670 3.309 2.951 3.598 . 0 0 "[ . 1 . 2]" 1
402 1 91 THR HA 1 92 VAL H . . 3.380 3.569 3.564 3.572 0.192 12 0 "[ . 1 . 2]" 1
403 1 91 THR HB 1 92 VAL H . . 3.730 2.282 2.181 2.371 . 0 0 "[ . 1 . 2]" 1
404 1 107 ILE H 1 108 GLN H . . 4.790 4.454 4.060 4.649 . 0 0 "[ . 1 . 2]" 1
405 1 93 GLU H 1 94 GLN H . . 3.810 2.734 2.678 2.794 . 0 0 "[ . 1 . 2]" 1
406 1 93 GLU HA 1 97 ASP H . . 4.870 3.982 3.710 4.177 . 0 0 "[ . 1 . 2]" 1
407 1 96 LYS H 1 97 ASP H . . 3.730 2.684 2.591 2.824 . 0 0 "[ . 1 . 2]" 1
408 1 93 GLU HA 1 96 LYS H . . 4.630 3.609 3.455 3.708 . 0 0 "[ . 1 . 2]" 1
409 1 97 ASP H 1 98 GLN H . . 3.370 2.755 2.518 2.933 . 0 0 "[ . 1 . 2]" 1
410 1 98 GLN H 1 99 THR H . . 3.430 2.662 2.546 2.763 . 0 0 "[ . 1 . 2]" 1
411 1 99 THR H 1 100 ARG H . . 3.570 2.801 2.588 2.931 . 0 0 "[ . 1 . 2]" 1
412 1 8 THR H 1 8 THR MG . . 3.890 3.153 2.887 3.406 . 0 0 "[ . 1 . 2]" 1
413 1 9 LEU H 1 59 ARG H . . 4.670 8.334 8.020 8.624 3.954 7 20 [******+***-*********] 1
414 1 8 THR HA 1 9 LEU H . . 3.560 2.193 2.151 2.255 . 0 0 "[ . 1 . 2]" 1
415 1 10 TYR H 1 11 GLU H . . 4.470 4.436 4.421 4.455 . 0 0 "[ . 1 . 2]" 1
416 1 9 LEU H 1 10 TYR H . . 3.610 2.003 1.884 2.108 . 0 0 "[ . 1 . 2]" 1
417 1 8 THR HA 1 10 TYR H . . 4.310 3.654 3.561 3.738 . 0 0 "[ . 1 . 2]" 1
418 1 8 THR MG 1 10 TYR H . . 4.000 3.404 2.577 3.766 . 0 0 "[ . 1 . 2]" 1
419 1 9 LEU HB3 1 10 TYR H . . 4.490 4.172 4.076 4.288 . 0 0 "[ . 1 . 2]" 1
420 1 10 TYR QD 1 11 GLU H . . 4.240 3.959 3.749 4.147 . 0 0 "[ . 1 . 2]" 1
421 1 10 TYR HA 1 11 GLU H . . 3.380 2.384 2.316 2.475 . 0 0 "[ . 1 . 2]" 1
422 1 11 GLU H 1 24 PRO HD3 . . 4.050 2.990 2.766 3.287 . 0 0 "[ . 1 . 2]" 1
423 1 10 TYR HB3 1 11 GLU H . . 3.660 2.500 2.288 2.652 . 0 0 "[ . 1 . 2]" 1
424 1 11 GLU H 1 11 GLU HB2 . . 3.000 2.791 2.657 2.946 . 0 0 "[ . 1 . 2]" 1
425 1 12 PHE H 1 12 PHE QD . . 4.250 4.209 4.144 4.258 0.008 11 0 "[ . 1 . 2]" 1
426 1 12 PHE H 1 13 LYS H . . 4.770 4.348 4.128 4.544 . 0 0 "[ . 1 . 2]" 1
427 1 11 GLU HA 1 12 PHE H . . 3.260 2.160 2.141 2.166 . 0 0 "[ . 1 . 2]" 1
428 1 12 PHE H 1 24 PRO HD3 . . 4.780 4.560 4.347 4.622 . 0 0 "[ . 1 . 2]" 1
429 1 12 PHE H 1 12 PHE HB3 . . 4.100 2.625 2.524 2.800 . 0 0 "[ . 1 . 2]" 1
430 1 11 GLU HB2 1 12 PHE H . . 5.070 4.392 4.287 4.456 . 0 0 "[ . 1 . 2]" 1
431 1 13 LYS H 1 14 ALA H . . 4.680 4.301 4.019 4.583 . 0 0 "[ . 1 . 2]" 1
432 1 12 PHE HA 1 13 LYS H . . 3.100 2.160 2.137 2.200 . 0 0 "[ . 1 . 2]" 1
433 1 12 PHE QD 1 13 LYS H . . 4.150 3.614 3.052 4.093 . 0 0 "[ . 1 . 2]" 1
434 1 13 LYS HA 1 14 ALA H . . 3.100 2.172 2.141 2.219 . 0 0 "[ . 1 . 2]" 1
435 1 14 ALA H 1 21 ASP HA . . 3.850 2.717 2.236 3.084 . 0 0 "[ . 1 . 2]" 1
436 1 14 ALA H 1 22 VAL H . . 4.810 4.511 4.119 4.805 . 0 0 "[ . 1 . 2]" 1
437 1 12 PHE H 1 22 VAL H . . 3.870 3.088 2.785 3.266 . 0 0 "[ . 1 . 2]" 1
438 1 21 ASP HA 1 22 VAL H . . 3.020 2.197 2.142 2.278 . 0 0 "[ . 1 . 2]" 1
439 1 13 LYS HA 1 22 VAL H . . 4.390 4.163 3.279 4.399 0.009 11 0 "[ . 1 . 2]" 1
440 1 14 ALA HA 1 15 GLU H . . 3.530 2.318 2.186 2.417 . 0 0 "[ . 1 . 2]" 1
441 1 14 ALA H 1 15 GLU H . . 4.650 4.632 4.588 4.647 . 0 0 "[ . 1 . 2]" 1
442 1 15 GLU H 1 15 GLU HG2 . . 4.060 2.272 1.968 3.426 . 0 0 "[ . 1 . 2]" 1
443 1 14 ALA MB 1 15 GLU H . . 3.820 2.603 2.421 2.963 . 0 0 "[ . 1 . 2]" 1
444 1 14 ALA H 1 14 ALA MB . . 3.140 2.163 2.081 2.227 . 0 0 "[ . 1 . 2]" 1
445 1 16 ARG HA 1 17 ASP H . . 3.570 2.600 2.441 2.658 . 0 0 "[ . 1 . 2]" 1
446 1 17 ASP H 1 17 ASP QB . . 3.410 2.394 2.195 2.682 . 0 0 "[ . 1 . 2]" 1
447 1 16 ARG HB2 1 17 ASP H . . 4.140 3.343 3.007 3.633 . 0 0 "[ . 1 . 2]" 1
448 1 16 ARG H 1 17 ASP H . . 5.090 4.408 4.362 4.476 . 0 0 "[ . 1 . 2]" 1
449 1 18 ASP H 1 19 GLU H . . 3.580 2.673 2.429 2.912 . 0 0 "[ . 1 . 2]" 1
450 1 18 ASP H 1 18 ASP HB2 . . 4.090 3.110 2.265 3.694 . 0 0 "[ . 1 . 2]" 1
451 1 18 ASP H 1 18 ASP HB3 . . 4.090 3.104 2.448 3.610 . 0 0 "[ . 1 . 2]" 1
452 1 15 GLU H 1 19 GLU H . . 4.500 4.408 4.221 4.516 0.016 1 0 "[ . 1 . 2]" 1
453 1 20 LEU H 1 20 LEU QB . . 3.820 2.515 2.398 2.715 . 0 0 "[ . 1 . 2]" 1
454 1 20 LEU H 1 20 LEU QD . . 4.080 3.871 3.677 4.033 . 0 0 "[ . 1 . 2]" 1
455 1 20 LEU HA 1 21 ASP H . . 3.100 2.198 2.139 2.311 . 0 0 "[ . 1 . 2]" 1
456 1 21 ASP H 1 21 ASP HB2 . . 3.770 3.135 2.610 3.675 . 0 0 "[ . 1 . 2]" 1
457 1 21 ASP H 1 21 ASP HB3 . . 3.770 2.652 2.301 3.601 . 0 0 "[ . 1 . 2]" 1
458 1 21 ASP H 1 22 VAL H . . 4.850 4.558 4.452 4.621 . 0 0 "[ . 1 . 2]" 1
459 1 21 ASP HB2 1 22 VAL H . . 4.460 3.641 2.923 4.345 . 0 0 "[ . 1 . 2]" 1
460 1 22 VAL H 1 22 VAL MG1 . . 4.190 2.657 2.194 3.533 . 0 0 "[ . 1 . 2]" 1
461 1 22 VAL H 1 22 VAL MG2 . . 4.190 3.419 2.055 4.003 . 0 0 "[ . 1 . 2]" 1
462 1 22 VAL H 1 23 SER H . . 4.540 4.384 4.300 4.476 . 0 0 "[ . 1 . 2]" 1
463 1 24 PRO HA 1 26 GLU H . . 4.390 3.485 3.308 3.548 . 0 0 "[ . 1 . 2]" 1
464 1 26 GLU H 1 27 ASN H . . 5.250 4.578 4.550 4.597 . 0 0 "[ . 1 . 2]" 1
465 1 26 GLU HA 1 27 ASN H . . 3.300 2.345 2.230 2.477 . 0 0 "[ . 1 . 2]" 1
466 1 27 ASN H 1 28 LEU H . . 4.920 4.422 4.316 4.576 . 0 0 "[ . 1 . 2]" 1
467 1 28 LEU H 1 29 SER H . . 5.280 4.454 4.365 4.520 . 0 0 "[ . 1 . 2]" 1
468 1 29 SER H 1 42 LYS H . . 4.060 2.482 2.187 2.713 . 0 0 "[ . 1 . 2]" 1
469 1 41 ALA HA 1 42 LYS H . . 3.410 2.262 2.178 2.412 . 0 0 "[ . 1 . 2]" 1
470 1 5 PHE HA 1 30 ILE H . . 4.230 2.536 2.257 2.867 . 0 0 "[ . 1 . 2]" 1
471 1 31 CYS H 1 32 ALA H . . 3.830 1.953 1.879 2.104 . 0 0 "[ . 1 . 2]" 1
472 1 33 HIS H 1 33 HIS HD2 . . 4.130 2.059 1.946 2.203 . 0 0 "[ . 1 . 2]" 1
473 1 32 ALA MB 1 33 HIS H . . 3.420 2.234 2.093 2.338 . 0 0 "[ . 1 . 2]" 1
474 1 33 HIS HA 1 34 TYR H . . 3.550 2.556 2.513 2.577 . 0 0 "[ . 1 . 2]" 1
475 1 33 HIS HB2 1 34 TYR H . . 4.170 2.250 2.184 2.313 . 0 0 "[ . 1 . 2]" 1
476 1 35 ASP H 1 36 TYR H . . 3.910 2.695 2.647 2.739 . 0 0 "[ . 1 . 2]" 1
477 1 34 TYR HA 1 35 ASP H . . 3.090 2.181 2.155 2.191 . 0 0 "[ . 1 . 2]" 1
478 1 35 ASP H 1 35 ASP HB2 . . 4.110 3.186 3.031 3.480 . 0 0 "[ . 1 . 2]" 1
479 1 34 TYR HB2 1 35 ASP H . . 4.560 4.534 4.481 4.570 0.010 12 0 "[ . 1 . 2]" 1
480 1 35 ASP H 1 35 ASP HB3 . . 4.110 3.841 3.564 4.094 . 0 0 "[ . 1 . 2]" 1
481 1 35 ASP H 1 36 TYR QD . . 4.560 4.419 4.213 4.571 0.011 3 0 "[ . 1 . 2]" 1
482 1 34 TYR H 1 35 ASP H . . 4.530 3.832 3.781 3.871 . 0 0 "[ . 1 . 2]" 1
483 1 36 TYR H 1 37 GLU H . . 3.710 2.622 2.580 2.677 . 0 0 "[ . 1 . 2]" 1
484 1 37 GLU H 1 38 TRP H . . 3.080 2.062 1.805 2.322 . 0 0 "[ . 1 . 2]" 1
485 1 34 TYR HB3 1 37 GLU H . . 4.510 3.913 3.673 4.173 . 0 0 "[ . 1 . 2]" 1
486 1 37 GLU H 1 37 GLU QB . . 3.410 2.886 2.648 3.188 . 0 0 "[ . 1 . 2]" 1
487 1 34 TYR H 1 37 GLU H . . 4.350 3.340 3.132 3.494 . 0 0 "[ . 1 . 2]" 1
488 1 34 TYR H 1 38 TRP H . . 4.090 2.897 2.731 3.111 . 0 0 "[ . 1 . 2]" 1
489 1 38 TRP H 1 39 PHE H . . 4.760 4.414 4.227 4.538 . 0 0 "[ . 1 . 2]" 1
490 1 38 TRP H 1 38 TRP QB . . 3.920 2.645 2.493 2.862 . 0 0 "[ . 1 . 2]" 1
491 1 37 GLU QB 1 38 TRP H . . 3.810 2.923 2.251 3.788 . 0 0 "[ . 1 . 2]" 1
492 1 39 PHE H 1 40 ILE H . . 5.210 4.410 4.290 4.482 . 0 0 "[ . 1 . 2]" 1
493 1 39 PHE H 1 55 VAL H . . 4.370 6.141 5.792 6.579 2.209 11 20 [**********+**-******] 1
494 1 39 PHE H 1 54 PRO HA . . 4.280 4.786 4.460 5.220 0.940 10 6 "[ - * +* * * 2]" 1
495 1 40 ILE H 1 40 ILE HB . . 3.870 2.697 2.625 2.807 . 0 0 "[ . 1 . 2]" 1
496 1 41 ALA H 1 42 LYS H . . 5.050 4.499 4.458 4.537 . 0 0 "[ . 1 . 2]" 1
497 1 40 ILE HA 1 41 ALA H . . 3.330 2.219 2.198 2.226 . 0 0 "[ . 1 . 2]" 1
498 1 44 ILE H 1 45 ASN H . . 4.060 2.311 1.897 2.577 . 0 0 "[ . 1 . 2]" 1
499 1 43 PRO HA 1 45 ASN H . . 4.040 3.813 3.465 4.061 0.021 14 0 "[ . 1 . 2]" 1
500 1 45 ASN H 1 46 ARG H . . 3.540 6.701 4.047 7.182 3.642 5 20 [****+**-************] 1
501 1 46 ARG H 1 47 LEU H . . 4.800 3.510 2.153 4.496 . 0 0 "[ . 1 . 2]" 1
502 1 45 ASN QB 1 46 ARG H . . 4.370 6.012 5.123 6.369 1.999 7 20 [******+-************] 1
503 1 46 ARG H 1 46 ARG HB2 . . 4.120 2.703 2.242 3.590 . 0 0 "[ . 1 . 2]" 1
504 1 44 ILE HA 1 46 ARG H . . 5.500 7.580 5.201 8.641 3.141 14 19 "[******* ***-*+******]" 1
505 1 46 ARG HA 1 47 LEU H . . 3.500 2.859 2.143 3.563 0.063 6 0 "[ . 1 . 2]" 1
506 1 41 ALA H 1 51 GLY H . . 4.490 5.203 4.483 5.627 1.137 7 16 "[** ***+**** **.-** *]" 1
507 1 20 LEU QD 1 51 GLY H . . 3.910 4.207 3.597 4.916 1.006 7 6 "[ . + 1* * .- * *]" 1
508 1 40 ILE MG 1 51 GLY H . . 4.270 5.066 4.496 5.375 1.105 5 18 "[** *+**-*** ********]" 1
509 1 19 GLU HA 1 52 LEU H . . 4.520 6.235 5.718 6.700 2.180 7 20 [******+****-********] 1
510 1 59 ARG HA 1 60 ILE H . . 3.290 2.148 2.139 2.154 . 0 0 "[ . 1 . 2]" 1
511 1 60 ILE H 1 60 ILE HB . . 3.310 3.792 3.742 3.863 0.553 1 4 "[+ * .- 1 . * 2]" 1
512 1 62 ASP HA 1 63 LEU H . . 3.450 3.484 3.438 3.525 0.075 7 0 "[ . 1 . 2]" 1
513 1 63 LEU H 1 64 MET H . . 2.900 2.312 2.222 2.474 . 0 0 "[ . 1 . 2]" 1
514 1 62 ASP HA 1 64 MET H . . 4.140 4.238 3.678 4.426 0.286 18 0 "[ . 1 . 2]" 1
515 1 67 ALA H 1 68 LYS H . . 2.970 2.549 2.393 2.737 . 0 0 "[ . 1 . 2]" 1
516 1 68 LYS H 1 68 LYS QB . . 3.520 2.385 2.290 2.490 . 0 0 "[ . 1 . 2]" 1
517 1 71 SER H 1 72 VAL H . . 3.720 4.613 4.482 4.646 0.926 5 20 [****+*****-*********] 1
518 1 69 TYR QB 1 72 VAL H . . 4.610 8.647 7.938 8.912 4.302 13 20 [**********-*+*******] 1
519 1 72 VAL H 1 73 ASP H . . 4.700 3.946 2.575 4.259 . 0 0 "[ . 1 . 2]" 1
520 1 73 ASP H 1 74 THR H . . 4.770 2.737 2.520 2.857 . 0 0 "[ . 1 . 2]" 1
521 1 72 VAL HA 1 73 ASP H . . 3.040 2.292 2.148 3.136 0.096 11 0 "[ . 1 . 2]" 1
522 1 73 ASP HA 1 74 THR H . . 2.960 3.477 2.885 3.548 0.588 13 18 "[********** *+*.****-]" 1
523 1 75 TYR H 1 76 ASP H . . 3.290 4.401 4.349 4.461 1.171 15 20 [**************+*-***] 1
524 1 75 TYR H 1 75 TYR HB2 . . 3.750 2.334 2.116 2.524 . 0 0 "[ . 1 . 2]" 1
525 1 76 ASP H 1 76 ASP HB2 . . 3.560 3.562 3.559 3.581 0.021 15 0 "[ . 1 . 2]" 1
526 1 76 ASP H 1 76 ASP HB3 . . 3.560 2.335 2.327 2.427 . 0 0 "[ . 1 . 2]" 1
527 1 76 ASP H 1 77 ARG H . . 4.460 2.726 2.685 2.759 . 0 0 "[ . 1 . 2]" 1
528 1 76 ASP HA 1 77 ARG H . . 3.190 3.466 3.439 3.483 0.293 5 0 "[ . 1 . 2]" 1
529 1 78 GLU H 1 79 GLN H . . 3.190 2.866 2.825 2.901 . 0 0 "[ . 1 . 2]" 1
530 1 77 ARG H 1 78 GLU H . . 3.650 2.751 2.689 2.788 . 0 0 "[ . 1 . 2]" 1
531 1 78 GLU H 1 78 GLU QB . . 3.060 2.525 2.443 2.574 . 0 0 "[ . 1 . 2]" 1
532 1 86 GLU QB 1 87 PHE H . . 4.020 3.157 3.089 3.295 . 0 0 "[ . 1 . 2]" 1
533 1 76 ASP HA 1 78 GLU H . . 4.390 4.737 4.570 4.831 0.441 10 0 "[ . 1 . 2]" 1
534 1 79 GLN H 1 80 VAL H . . 3.300 2.759 2.721 2.779 . 0 0 "[ . 1 . 2]" 1
535 1 77 ARG HA 1 80 VAL H . . 3.880 3.716 3.674 3.736 . 0 0 "[ . 1 . 2]" 1
536 1 80 VAL H 1 81 MET H . . 3.370 2.728 2.683 2.760 . 0 0 "[ . 1 . 2]" 1
537 1 81 MET H 1 82 LYS H . . 3.600 2.758 2.714 2.819 . 0 0 "[ . 1 . 2]" 1
538 1 78 GLU HA 1 81 MET H . . 3.750 3.565 3.494 3.665 . 0 0 "[ . 1 . 2]" 1
539 1 79 GLN H 1 81 MET H . . 4.340 4.623 4.550 4.681 0.341 18 0 "[ . 1 . 2]" 1
540 1 36 TYR QD 1 81 MET H . . 4.450 5.659 5.580 5.778 1.328 18 20 [***************-*+**] 1
541 1 82 LYS H 1 83 ILE H . . 3.900 2.765 2.695 2.815 . 0 0 "[ . 1 . 2]" 1
542 1 81 MET H 1 81 MET QB . . 3.090 2.448 2.242 2.547 . 0 0 "[ . 1 . 2]" 1
543 1 81 MET H 1 81 MET QG . . 3.830 2.237 1.995 3.163 . 0 0 "[ . 1 . 2]" 1
544 1 80 VAL HA 1 83 ILE H . . 4.700 3.661 3.593 3.734 . 0 0 "[ . 1 . 2]" 1
545 1 83 ILE H 1 83 ILE HB . . 3.320 2.483 2.439 2.518 . 0 0 "[ . 1 . 2]" 1
546 1 83 ILE H 1 83 ILE HG12 . . 4.210 3.528 3.460 3.618 . 0 0 "[ . 1 . 2]" 1
547 1 83 ILE H 1 83 ILE HG13 . . 4.210 2.187 2.112 2.277 . 0 0 "[ . 1 . 2]" 1
548 1 83 ILE H 1 83 ILE MG . . 3.880 3.756 3.747 3.761 . 0 0 "[ . 1 . 2]" 1
549 1 82 LYS HA 1 85 ASP H . . 3.980 3.648 3.575 3.779 . 0 0 "[ . 1 . 2]" 1
550 1 86 GLU H 1 87 PHE H . . 3.520 2.545 2.452 2.578 . 0 0 "[ . 1 . 2]" 1
551 1 83 ILE HA 1 87 PHE H . . 4.370 4.247 4.108 4.466 0.096 6 0 "[ . 1 . 2]" 1
552 1 87 PHE H 1 87 PHE HB3 . . 3.860 4.060 4.030 4.089 0.229 8 0 "[ . 1 . 2]" 1
553 1 87 PHE H 1 87 PHE HB2 . . 3.860 3.500 3.346 3.667 . 0 0 "[ . 1 . 2]" 1
554 1 83 ILE MG 1 87 PHE H . . 4.010 4.326 4.095 4.430 0.420 14 0 "[ . 1 . 2]" 1
555 1 94 GLN H 1 95 TRP H . . 3.640 2.641 2.532 2.746 . 0 0 "[ . 1 . 2]" 1
556 1 95 TRP H 1 95 TRP QB . . 3.810 2.458 2.243 2.671 . 0 0 "[ . 1 . 2]" 1
557 1 96 LYS H 1 96 LYS HB3 . . 3.660 2.752 2.358 3.532 . 0 0 "[ . 1 . 2]" 1
558 1 95 TRP QB 1 96 LYS H . . 4.410 2.444 2.284 2.698 . 0 0 "[ . 1 . 2]" 1
559 1 96 LYS H 1 97 ASP QB . . 4.750 4.613 4.379 4.835 0.085 8 0 "[ . 1 . 2]" 1
560 1 94 GLN QB 1 96 LYS H . . 5.500 4.875 4.653 4.996 . 0 0 "[ . 1 . 2]" 1
561 1 8 THR HB 1 26 GLU H . . 4.070 3.717 3.328 3.910 . 0 0 "[ . 1 . 2]" 1
562 1 99 THR H 1 100 ARG QB . . 4.920 4.869 4.653 5.054 0.134 12 0 "[ . 1 . 2]" 1
563 1 97 ASP HA 1 100 ARG H . . 4.440 3.826 3.610 4.014 . 0 0 "[ . 1 . 2]" 1
564 1 100 ARG H 1 101 ARG H . . 3.960 2.564 2.322 2.778 . 0 0 "[ . 1 . 2]" 1
565 1 101 ARG H 1 101 ARG QB . . 3.470 2.240 2.214 2.270 . 0 0 "[ . 1 . 2]" 1
566 1 102 TYR QB 1 103 LYS H . . 4.000 2.982 2.911 3.137 . 0 0 "[ . 1 . 2]" 1
567 1 103 LYS H 1 103 LYS QB . . 3.370 2.320 2.041 2.552 . 0 0 "[ . 1 . 2]" 1
568 1 103 LYS H 1 103 LYS HG3 . . 4.260 3.658 2.445 4.390 0.130 16 0 "[ . 1 . 2]" 1
569 1 83 ILE H 1 84 ILE H . . 3.640 2.680 2.609 2.744 . 0 0 "[ . 1 . 2]" 1
570 1 27 ASN HA 1 27 ASN HD21 . . 4.520 3.449 3.152 3.852 . 0 0 "[ . 1 . 2]" 1
571 1 27 ASN HD21 1 44 ILE MD . . 5.410 3.835 3.451 5.017 . 0 0 "[ . 1 . 2]" 1
572 1 9 LEU H 1 58 VAL HA . . 4.140 6.404 6.055 6.708 2.568 7 20 [******+********-****] 1
573 1 33 HIS H 1 91 THR MG . . 4.400 3.974 3.602 4.427 0.027 19 0 "[ . 1 . 2]" 1
574 1 91 THR MG 1 93 GLU H . . 4.750 5.470 5.322 5.550 0.800 15 20 [*************-+*****] 1
575 1 22 VAL HA 1 23 SER H . . 3.380 2.302 2.223 2.357 . 0 0 "[ . 1 . 2]" 1
576 1 56 SER HA 1 58 VAL H . . 4.530 6.411 6.140 6.583 2.053 20 20 [**-****************+] 1
577 1 34 TYR QD 1 38 TRP HE1 . . 4.790 4.282 3.783 4.754 . 0 0 "[ . 1 . 2]" 1
578 1 3 PRO HA 1 4 LEU H . . 3.280 2.281 2.152 2.456 . 0 0 "[ . 1 . 2]" 1
579 1 4 LEU H 1 4 LEU QD . . 4.270 2.930 1.884 3.913 . 0 0 "[ . 1 . 2]" 1
580 1 4 LEU H 1 30 ILE HB . . 5.150 4.731 3.819 5.167 0.017 14 0 "[ . 1 . 2]" 1
581 1 6 ALA HA 1 61 ILE H . . 4.080 6.415 5.979 6.633 2.553 5 20 [****+********-******] 1
582 1 6 ALA MB 1 28 LEU H . . 4.580 4.120 3.841 4.332 . 0 0 "[ . 1 . 2]" 1
583 1 7 VAL QG 1 28 LEU H . . 4.990 4.373 3.928 4.659 . 0 0 "[ . 1 . 2]" 1
584 1 5 PHE HA 1 6 ALA H . . 3.560 2.291 2.201 2.407 . 0 0 "[ . 1 . 2]" 1
585 1 5 PHE HB2 1 6 ALA H . . 4.100 3.937 3.658 4.122 0.022 13 0 "[ . 1 . 2]" 1
586 1 5 PHE HB3 1 6 ALA H . . 4.100 2.749 2.424 3.022 . 0 0 "[ . 1 . 2]" 1
587 1 6 ALA HA 1 7 VAL H . . 3.450 2.371 2.237 2.474 . 0 0 "[ . 1 . 2]" 1
588 1 7 VAL H 1 7 VAL HB . . 4.040 3.185 3.021 3.290 . 0 0 "[ . 1 . 2]" 1
589 1 6 ALA MB 1 7 VAL H . . 3.450 2.487 2.236 2.799 . 0 0 "[ . 1 . 2]" 1
590 1 7 VAL H 1 9 LEU QD . . 5.290 4.608 4.165 4.927 . 0 0 "[ . 1 . 2]" 1
591 1 7 VAL H 1 60 ILE MD . . 5.500 3.815 3.412 4.009 . 0 0 "[ . 1 . 2]" 1
592 1 7 VAL H 1 60 ILE HA . . 4.650 6.203 5.854 6.455 1.805 3 20 [**+******-**********] 1
593 1 7 VAL H 1 59 ARG H . . 3.820 4.914 4.766 5.043 1.223 8 20 [*******+*-**********] 1
594 1 8 THR HA 1 59 ARG H . . 4.140 7.776 7.500 8.073 3.933 4 20 [***+*****-**********] 1
595 1 8 THR H 1 9 LEU H . . 4.820 4.587 4.535 4.626 . 0 0 "[ . 1 . 2]" 1
596 1 9 LEU H 1 24 PRO HB3 . . 4.940 4.801 4.644 4.931 . 0 0 "[ . 1 . 2]" 1
597 1 9 LEU H 1 9 LEU HG . . 3.980 2.598 2.433 2.814 . 0 0 "[ . 1 . 2]" 1
598 1 9 LEU H 1 9 LEU QD . . 3.740 3.269 3.081 3.389 . 0 0 "[ . 1 . 2]" 1
599 1 10 TYR H 1 24 PRO HB3 . . 4.490 3.530 3.423 3.629 . 0 0 "[ . 1 . 2]" 1
600 1 10 TYR H 1 24 PRO HG3 . . 5.500 5.508 5.493 5.523 0.023 16 0 "[ . 1 . 2]" 1
601 1 9 LEU HB2 1 10 TYR H . . 4.490 3.195 3.065 3.295 . 0 0 "[ . 1 . 2]" 1
602 1 9 LEU QD 1 10 TYR H . . 4.320 4.242 4.145 4.317 . 0 0 "[ . 1 . 2]" 1
603 1 9 LEU HG 1 10 TYR H . . 4.760 4.336 4.099 4.491 . 0 0 "[ . 1 . 2]" 1
604 1 11 GLU H 1 12 PHE H . . 4.390 4.306 4.255 4.398 0.008 3 0 "[ . 1 . 2]" 1
605 1 11 GLU H 1 24 PRO HD2 . . 5.040 4.671 4.453 4.981 . 0 0 "[ . 1 . 2]" 1
606 1 11 GLU H 1 11 GLU HB3 . . 3.060 2.406 2.345 2.500 . 0 0 "[ . 1 . 2]" 1
607 1 11 GLU H 1 24 PRO HB3 . . 3.970 3.866 3.646 3.979 0.009 12 0 "[ . 1 . 2]" 1
608 1 10 TYR HB2 1 11 GLU H . . 3.790 3.591 3.441 3.747 . 0 0 "[ . 1 . 2]" 1
609 1 12 PHE H 1 12 PHE HB2 . . 4.100 2.661 2.462 3.000 . 0 0 "[ . 1 . 2]" 1
610 1 12 PHE H 1 22 VAL HB . . 5.270 4.679 3.867 5.197 . 0 0 "[ . 1 . 2]" 1
611 1 12 PHE HB3 1 13 LYS H . . 4.740 4.226 3.868 4.445 . 0 0 "[ . 1 . 2]" 1
612 1 13 LYS H 1 13 LYS QE . . 5.080 4.574 3.845 5.069 . 0 0 "[ . 1 . 2]" 1
613 1 13 LYS H 1 13 LYS HG2 . . 4.270 3.760 2.372 4.267 . 0 0 "[ . 1 . 2]" 1
614 1 13 LYS H 1 13 LYS HG3 . . 4.270 3.125 2.678 3.842 . 0 0 "[ . 1 . 2]" 1
615 1 13 LYS H 1 13 LYS QD . . 3.470 2.842 1.934 3.467 . 0 0 "[ . 1 . 2]" 1
616 1 12 PHE HB2 1 13 LYS H . . 4.740 4.415 4.214 4.540 . 0 0 "[ . 1 . 2]" 1
617 1 95 TRP HA 1 99 THR H . . 4.560 3.967 3.689 4.298 . 0 0 "[ . 1 . 2]" 1
618 1 96 LYS HA 1 99 THR H . . 4.560 3.574 3.462 3.691 . 0 0 "[ . 1 . 2]" 1
619 1 95 TRP HA 1 98 GLN H . . 3.900 3.715 3.463 3.839 . 0 0 "[ . 1 . 2]" 1
620 1 92 VAL HA 1 95 TRP H . . 3.890 3.485 3.366 3.566 . 0 0 "[ . 1 . 2]" 1
621 1 98 GLN HA 1 102 TYR H . . 4.700 3.975 3.686 4.126 . 0 0 "[ . 1 . 2]" 1
622 1 99 THR HA 1 102 TYR H . . 4.850 3.651 3.423 3.758 . 0 0 "[ . 1 . 2]" 1
623 1 19 GLU H 1 20 LEU H . . 4.750 4.574 4.372 4.645 . 0 0 "[ . 1 . 2]" 1
624 1 20 LEU H 1 21 ASP H . . 4.790 4.368 4.102 4.525 . 0 0 "[ . 1 . 2]" 1
625 1 15 GLU H 1 16 ARG HB2 . . 4.760 4.364 4.126 4.696 . 0 0 "[ . 1 . 2]" 1
626 1 15 GLU H 1 16 ARG HG2 . . 5.260 4.647 4.190 4.995 . 0 0 "[ . 1 . 2]" 1
627 1 15 GLU H 1 15 GLU HG3 . . 4.060 2.726 1.940 3.734 . 0 0 "[ . 1 . 2]" 1
628 1 15 GLU H 1 19 GLU HB2 . . 4.970 2.379 1.972 3.044 . 0 0 "[ . 1 . 2]" 1
629 1 15 GLU H 1 19 GLU HB3 . . 4.970 2.664 2.042 3.263 . 0 0 "[ . 1 . 2]" 1
630 1 16 ARG H 1 18 ASP H . . 4.860 4.715 4.030 4.859 . 0 0 "[ . 1 . 2]" 1
631 1 14 ALA HA 1 16 ARG H . . 4.150 4.034 3.772 4.160 0.010 1 0 "[ . 1 . 2]" 1
632 1 16 ARG H 1 16 ARG HG3 . . 4.260 4.192 4.031 4.265 0.005 9 0 "[ . 1 . 2]" 1
633 1 16 ARG H 1 16 ARG HB2 . . 3.910 2.624 2.359 2.864 . 0 0 "[ . 1 . 2]" 1
634 1 14 ALA MB 1 16 ARG H . . 3.800 3.154 2.798 3.491 . 0 0 "[ . 1 . 2]" 1
635 1 15 GLU HG2 1 16 ARG H . . 4.240 3.035 1.953 4.105 . 0 0 "[ . 1 . 2]" 1
636 1 15 GLU HG3 1 16 ARG H . . 4.240 2.383 2.029 3.654 . 0 0 "[ . 1 . 2]" 1
637 1 17 ASP HA 1 19 GLU H . . 4.710 4.224 3.487 4.706 . 0 0 "[ . 1 . 2]" 1
638 1 16 ARG HB3 1 17 ASP H . . 4.280 2.031 1.951 2.337 . 0 0 "[ . 1 . 2]" 1
639 1 17 ASP QB 1 18 ASP H . . 3.480 2.787 2.456 3.478 . 0 0 "[ . 1 . 2]" 1
640 1 16 ARG HB3 1 18 ASP H . . 4.150 2.846 2.549 3.211 . 0 0 "[ . 1 . 2]" 1
641 1 16 ARG HB2 1 18 ASP H . . 4.370 3.211 2.871 3.504 . 0 0 "[ . 1 . 2]" 1
642 1 16 ARG H 1 19 GLU H . . 4.120 3.351 3.187 3.761 . 0 0 "[ . 1 . 2]" 1
643 1 16 ARG HB2 1 19 GLU H . . 4.470 3.179 2.746 4.322 . 0 0 "[ . 1 . 2]" 1
644 1 14 ALA MB 1 19 GLU H . . 4.230 3.894 3.421 4.235 0.005 3 0 "[ . 1 . 2]" 1
645 1 40 ILE MG 1 41 ALA H . . 3.980 3.281 3.161 3.407 . 0 0 "[ . 1 . 2]" 1
646 1 12 PHE QE 1 20 LEU H . . 4.150 3.639 2.945 4.154 0.004 18 0 "[ . 1 . 2]" 1
647 1 15 GLU H 1 16 ARG H . . 3.310 1.938 1.894 2.166 . 0 0 "[ . 1 . 2]" 1
648 1 14 ALA HA 1 20 LEU H . . 4.800 4.359 3.546 4.792 . 0 0 "[ . 1 . 2]" 1
649 1 19 GLU HB2 1 20 LEU H . . 4.320 3.973 3.246 4.318 . 0 0 "[ . 1 . 2]" 1
650 1 19 GLU HB3 1 20 LEU H . . 4.320 2.997 2.011 3.820 . 0 0 "[ . 1 . 2]" 1
651 1 20 LEU H 1 20 LEU HG . . 5.000 4.581 4.479 4.743 . 0 0 "[ . 1 . 2]" 1
652 1 12 PHE QD 1 21 ASP H . . 5.500 5.416 4.924 5.515 0.015 11 0 "[ . 1 . 2]" 1
653 1 14 ALA H 1 21 ASP H . . 4.640 4.105 3.420 4.444 . 0 0 "[ . 1 . 2]" 1
654 1 20 LEU QB 1 21 ASP H . . 4.330 3.616 3.353 3.812 . 0 0 "[ . 1 . 2]" 1
655 1 20 LEU HG 1 21 ASP H . . 4.310 2.571 1.943 3.268 . 0 0 "[ . 1 . 2]" 1
656 1 14 ALA MB 1 21 ASP H . . 3.880 2.853 2.393 3.328 . 0 0 "[ . 1 . 2]" 1
657 1 12 PHE QD 1 22 VAL H . . 4.390 4.058 3.702 4.394 0.004 3 0 "[ . 1 . 2]" 1
658 1 12 PHE HB2 1 22 VAL H . . 5.110 4.399 3.563 5.104 . 0 0 "[ . 1 . 2]" 1
659 1 12 PHE HB3 1 22 VAL H . . 5.110 2.961 2.338 3.610 . 0 0 "[ . 1 . 2]" 1
660 1 22 VAL H 1 22 VAL HB . . 3.860 3.427 3.094 3.787 . 0 0 "[ . 1 . 2]" 1
661 1 23 SER H 1 23 SER HB2 . . 4.170 2.570 2.287 3.752 . 0 0 "[ . 1 . 2]" 1
662 1 23 SER H 1 23 SER HB3 . . 4.170 3.541 2.728 3.656 . 0 0 "[ . 1 . 2]" 1
663 1 22 VAL HB 1 23 SER H . . 4.300 3.541 2.531 4.005 . 0 0 "[ . 1 . 2]" 1
664 1 23 SER H 1 26 GLU HG2 . . 4.660 3.888 2.823 4.662 0.002 20 0 "[ . 1 . 2]" 1
665 1 23 SER H 1 26 GLU HB2 . . 4.500 3.206 2.905 3.588 . 0 0 "[ . 1 . 2]" 1
666 1 23 SER H 1 26 GLU HG3 . . 4.660 3.033 2.402 4.533 . 0 0 "[ . 1 . 2]" 1
667 1 23 SER H 1 26 GLU HB3 . . 4.680 4.269 3.980 4.570 . 0 0 "[ . 1 . 2]" 1
668 1 8 THR MG 1 23 SER H . . 4.620 4.216 3.704 4.593 . 0 0 "[ . 1 . 2]" 1
669 1 22 VAL MG1 1 23 SER H . . 4.830 3.502 3.278 3.828 . 0 0 "[ . 1 . 2]" 1
670 1 22 VAL MG2 1 23 SER H . . 4.830 2.576 1.894 3.904 . 0 0 "[ . 1 . 2]" 1
671 1 10 TYR H 1 25 GLY H . . 5.230 4.964 4.519 5.192 . 0 0 "[ . 1 . 2]" 1
672 1 24 PRO HA 1 25 GLY H . . 3.270 2.159 2.155 2.188 . 0 0 "[ . 1 . 2]" 1
673 1 8 THR HB 1 25 GLY H . . 3.990 3.408 3.132 3.663 . 0 0 "[ . 1 . 2]" 1
674 1 8 THR MG 1 25 GLY H . . 4.890 4.766 4.629 4.908 0.018 8 0 "[ . 1 . 2]" 1
675 1 24 PRO HB3 1 25 GLY H . . 4.150 4.098 3.859 4.163 0.013 18 0 "[ . 1 . 2]" 1
676 1 25 GLY H 1 26 GLU HB2 . . 4.720 4.278 4.134 4.609 . 0 0 "[ . 1 . 2]" 1
677 1 7 VAL QG 1 25 GLY H . . 4.020 3.082 2.880 3.381 . 0 0 "[ . 1 . 2]" 1
678 1 9 LEU QD 1 25 GLY H . . 5.130 4.246 3.718 4.844 . 0 0 "[ . 1 . 2]" 1
679 1 24 PRO HB2 1 25 GLY H . . 3.750 3.670 3.314 3.764 0.014 18 0 "[ . 1 . 2]" 1
680 1 7 VAL QG 1 59 ARG H . . 3.680 4.829 4.660 5.124 1.444 11 20 [******-***+*********] 1
681 1 25 GLY H 1 26 GLU H . . 3.550 2.204 2.122 2.476 . 0 0 "[ . 1 . 2]" 1
682 1 26 GLU H 1 26 GLU HB2 . . 3.290 2.280 2.197 2.379 . 0 0 "[ . 1 . 2]" 1
683 1 26 GLU H 1 26 GLU HB3 . . 3.740 3.547 3.481 3.611 . 0 0 "[ . 1 . 2]" 1
684 1 26 GLU H 1 26 GLU HG2 . . 4.170 3.247 2.879 4.022 . 0 0 "[ . 1 . 2]" 1
685 1 26 GLU H 1 26 GLU HG3 . . 4.170 3.848 2.815 4.182 0.012 15 0 "[ . 1 . 2]" 1
686 1 7 VAL QG 1 26 GLU H . . 3.930 3.384 3.008 3.783 . 0 0 "[ . 1 . 2]" 1
687 1 97 ASP QB 1 98 GLN H . . 3.450 2.636 2.298 3.423 . 0 0 "[ . 1 . 2]" 1
688 1 8 THR MG 1 26 GLU H . . 4.640 4.614 4.424 4.677 0.037 16 0 "[ . 1 . 2]" 1
689 1 27 ASN H 1 27 ASN HD21 . . 5.030 4.896 4.712 5.043 0.013 13 0 "[ . 1 . 2]" 1
690 1 26 GLU HB3 1 27 ASN H . . 3.980 2.622 2.286 2.910 . 0 0 "[ . 1 . 2]" 1
691 1 94 GLN QB 1 95 TRP H . . 3.630 2.593 2.415 2.685 . 0 0 "[ . 1 . 2]" 1
692 1 26 GLU HB2 1 27 ASN H . . 4.170 3.924 3.597 4.089 . 0 0 "[ . 1 . 2]" 1
693 1 93 GLU QB 1 95 TRP H . . 5.500 4.715 4.591 5.023 . 0 0 "[ . 1 . 2]" 1
694 1 7 VAL HB 1 27 ASN HD21 . . 4.990 4.537 4.066 4.951 . 0 0 "[ . 1 . 2]" 1
695 1 9 LEU QD 1 59 ARG H . . 3.680 5.005 4.439 5.352 1.672 4 20 [***+***********-****] 1
696 1 29 SER H 1 29 SER HB2 . . 4.000 2.537 2.281 3.364 . 0 0 "[ . 1 . 2]" 1
697 1 28 LEU HB2 1 29 SER H . . 4.270 3.870 3.648 4.090 . 0 0 "[ . 1 . 2]" 1
698 1 28 LEU HB3 1 29 SER H . . 4.270 2.728 2.298 2.950 . 0 0 "[ . 1 . 2]" 1
699 1 29 SER HB2 1 30 ILE H . . 4.810 4.509 4.157 4.589 . 0 0 "[ . 1 . 2]" 1
700 1 29 SER HB3 1 30 ILE H . . 5.070 4.055 3.805 4.474 . 0 0 "[ . 1 . 2]" 1
701 1 30 ILE H 1 30 ILE HB . . 3.840 2.495 2.353 2.598 . 0 0 "[ . 1 . 2]" 1
702 1 30 ILE H 1 30 ILE HG12 . . 4.620 3.051 2.066 3.870 . 0 0 "[ . 1 . 2]" 1
703 1 30 ILE H 1 30 ILE HG13 . . 4.620 2.760 2.080 3.625 . 0 0 "[ . 1 . 2]" 1
704 1 30 ILE H 1 30 ILE MG . . 4.410 3.764 3.714 3.793 . 0 0 "[ . 1 . 2]" 1
705 1 30 ILE H 1 30 ILE MD . . 4.490 3.603 3.330 3.797 . 0 0 "[ . 1 . 2]" 1
706 1 5 PHE QD 1 30 ILE H . . 4.640 4.447 3.166 4.652 0.012 1 0 "[ . 1 . 2]" 1
707 1 6 ALA H 1 30 ILE H . . 4.980 3.407 3.030 3.738 . 0 0 "[ . 1 . 2]" 1
708 1 31 CYS H 1 41 ALA HA . . 4.680 3.525 3.043 3.749 . 0 0 "[ . 1 . 2]" 1
709 1 30 ILE MG 1 31 CYS H . . 4.390 2.137 1.905 2.267 . 0 0 "[ . 1 . 2]" 1
710 1 31 CYS H 1 40 ILE HB . . 4.810 2.931 2.792 3.331 . 0 0 "[ . 1 . 2]" 1
711 1 30 ILE MD 1 31 CYS H . . 4.720 4.277 3.260 4.804 0.084 13 0 "[ . 1 . 2]" 1
712 1 32 ALA H 1 40 ILE H . . 4.230 3.048 2.697 3.297 . 0 0 "[ . 1 . 2]" 1
713 1 30 ILE HA 1 32 ALA H . . 4.610 4.019 3.864 4.186 . 0 0 "[ . 1 . 2]" 1
714 1 31 CYS HB3 1 32 ALA H . . 4.420 3.803 3.119 4.033 . 0 0 "[ . 1 . 2]" 1
715 1 31 CYS HB2 1 32 ALA H . . 4.740 2.687 2.418 2.957 . 0 0 "[ . 1 . 2]" 1
716 1 32 ALA H 1 40 ILE HB . . 4.110 2.275 1.994 2.598 . 0 0 "[ . 1 . 2]" 1
717 1 33 HIS HA 1 40 ILE H . . 3.870 3.144 2.900 3.407 . 0 0 "[ . 1 . 2]" 1
718 1 33 HIS H 1 91 THR HA . . 3.770 4.812 4.406 5.327 1.557 19 20 [********-*********+*] 1
719 1 91 THR HB 1 93 GLU H . . 4.330 4.968 4.832 5.085 0.755 2 20 [*+***************-**] 1
720 1 33 HIS H 1 40 ILE MD . . 5.500 5.518 5.493 5.542 0.042 18 0 "[ . 1 . 2]" 1
721 1 34 TYR H 1 39 PHE HA . . 4.050 3.823 3.679 4.059 0.009 12 0 "[ . 1 . 2]" 1
722 1 34 TYR H 1 34 TYR QD . . 4.660 4.435 4.347 4.485 . 0 0 "[ . 1 . 2]" 1
723 1 34 TYR H 1 34 TYR HB2 . . 4.110 3.162 3.081 3.328 . 0 0 "[ . 1 . 2]" 1
724 1 33 HIS HB3 1 34 TYR H . . 4.170 3.725 3.678 3.768 . 0 0 "[ . 1 . 2]" 1
725 1 34 TYR H 1 40 ILE QG . . 5.500 4.989 4.747 5.293 . 0 0 "[ . 1 . 2]" 1
726 1 35 ASP H 1 37 GLU H . . 4.430 4.297 4.210 4.429 . 0 0 "[ . 1 . 2]" 1
727 1 33 HIS HE1 1 35 ASP H . . 4.160 3.975 3.823 4.167 0.007 13 0 "[ . 1 . 2]" 1
728 1 34 TYR QD 1 35 ASP H . . 4.290 4.082 3.807 4.163 . 0 0 "[ . 1 . 2]" 1
729 1 35 ASP H 1 91 THR MG . . 4.400 4.829 4.460 5.204 0.804 8 9 "[ * . + 1** - ****]" 1
730 1 36 TYR H 1 38 TRP H . . 4.520 3.996 3.664 4.324 . 0 0 "[ . 1 . 2]" 1
731 1 36 TYR H 1 36 TYR QD . . 3.790 3.333 3.196 3.405 . 0 0 "[ . 1 . 2]" 1
732 1 33 HIS HE1 1 36 TYR H . . 3.540 3.341 3.177 3.555 0.015 19 0 "[ . 1 . 2]" 1
733 1 36 TYR H 1 36 TYR QB . . 3.730 3.398 3.379 3.411 . 0 0 "[ . 1 . 2]" 1
734 1 36 TYR H 1 91 THR MG . . 4.640 5.846 5.612 6.109 1.469 17 20 [******-*********+***] 1
735 1 34 TYR QD 1 37 GLU H . . 4.730 4.391 3.903 4.758 0.028 18 0 "[ . 1 . 2]" 1
736 1 37 GLU H 1 37 GLU HG2 . . 4.290 2.283 2.094 2.699 . 0 0 "[ . 1 . 2]" 1
737 1 37 GLU H 1 37 GLU HG3 . . 4.290 3.240 2.385 3.930 . 0 0 "[ . 1 . 2]" 1
738 1 38 TRP H 1 38 TRP HD1 . . 4.360 3.115 2.399 3.824 . 0 0 "[ . 1 . 2]" 1
739 1 34 TYR HB2 1 38 TRP H . . 4.820 4.298 3.898 4.860 0.040 19 0 "[ . 1 . 2]" 1
740 1 39 PHE H 1 39 PHE QD . . 4.740 4.032 3.474 4.160 . 0 0 "[ . 1 . 2]" 1
741 1 38 TRP HE3 1 39 PHE H . . 4.060 3.626 3.129 4.071 0.011 1 0 "[ . 1 . 2]" 1
742 1 39 PHE H 1 39 PHE QB . . 3.830 2.433 2.357 2.606 . 0 0 "[ . 1 . 2]" 1
743 1 38 TRP QB 1 39 PHE H . . 4.120 2.782 2.373 3.022 . 0 0 "[ . 1 . 2]" 1
744 1 39 PHE QB 1 40 ILE H . . 4.040 3.141 2.716 3.352 . 0 0 "[ . 1 . 2]" 1
745 1 40 ILE H 1 40 ILE QG . . 4.000 2.200 2.030 2.403 . 0 0 "[ . 1 . 2]" 1
746 1 41 ALA MB 1 42 LYS H . . 3.460 2.790 2.454 3.022 . 0 0 "[ . 1 . 2]" 1
747 1 28 LEU HA 1 42 LYS H . . 4.460 4.236 4.019 4.408 . 0 0 "[ . 1 . 2]" 1
748 1 30 ILE HA 1 42 LYS H . . 4.330 3.891 3.754 4.152 . 0 0 "[ . 1 . 2]" 1
749 1 29 SER HB2 1 42 LYS H . . 5.430 4.155 3.733 4.768 . 0 0 "[ . 1 . 2]" 1
750 1 29 SER HB3 1 42 LYS H . . 5.500 3.430 3.239 3.740 . 0 0 "[ . 1 . 2]" 1
751 1 42 LYS HA 1 51 GLY H . . 3.880 6.604 6.117 7.266 3.386 7 20 [******+****-********] 1
752 1 28 LEU HA 1 44 ILE H . . 4.320 3.251 2.425 4.192 . 0 0 "[ . 1 . 2]" 1
753 1 44 ILE H 1 44 ILE HB . . 4.180 2.564 2.435 2.744 . 0 0 "[ . 1 . 2]" 1
754 1 44 ILE H 1 44 ILE HG12 . . 4.660 3.492 2.132 3.938 . 0 0 "[ . 1 . 2]" 1
755 1 44 ILE H 1 44 ILE MD . . 4.660 3.715 3.300 3.979 . 0 0 "[ . 1 . 2]" 1
756 1 44 ILE H 1 44 ILE MG . . 4.070 3.800 3.747 3.893 . 0 0 "[ . 1 . 2]" 1
757 1 44 ILE H 1 44 ILE HG13 . . 4.660 2.414 2.124 3.591 . 0 0 "[ . 1 . 2]" 1
758 1 43 PRO QB 1 45 ASN H . . 4.370 3.604 2.902 4.015 . 0 0 "[ . 1 . 2]" 1
759 1 44 ILE HB 1 45 ASN H . . 4.360 2.758 2.491 3.355 . 0 0 "[ . 1 . 2]" 1
760 1 45 ASN HA 1 45 ASN HD22 . . 4.590 4.154 3.668 4.591 0.001 5 0 "[ . 1 . 2]" 1
761 1 45 ASN HA 1 45 ASN HD21 . . 4.590 3.515 2.275 4.300 . 0 0 "[ . 1 . 2]" 1
762 1 44 ILE H 1 46 ARG H . . 4.610 7.670 4.896 8.315 3.705 12 19 "[******* -**+********]" 1
763 1 46 ARG H 1 46 ARG HB3 . . 4.120 3.509 3.195 3.822 . 0 0 "[ . 1 . 2]" 1
764 1 43 PRO QB 1 46 ARG H . . 3.650 4.578 2.406 5.609 1.959 12 17 "[** ***- **+********]" 1
765 1 47 LEU H 1 48 GLY H . . 4.260 3.539 2.112 4.494 0.234 14 0 "[ . 1 . 2]" 1
766 1 46 ARG HB2 1 47 LEU H . . 3.790 3.417 1.946 4.491 0.701 17 7 "[* **. -* *. + 2]" 1
767 1 46 ARG HB3 1 47 LEU H . . 3.790 3.294 1.915 4.587 0.797 19 3 "[ * . 1 - +2]" 1
768 1 91 THR H 1 94 GLN H . . 4.380 4.724 4.607 4.805 0.425 13 0 "[ . 1 . 2]" 1
769 1 91 THR H 1 95 TRP H . . 4.560 6.142 5.963 6.476 1.916 12 20 [***********+****-***] 1
770 1 90 PRO HA 1 91 THR H . . 3.100 2.470 2.398 2.562 . 0 0 "[ . 1 . 2]" 1
771 1 91 THR H 1 94 GLN QB . . 3.490 4.708 4.515 4.863 1.373 14 20 [*************+**-***] 1
772 1 91 THR H 1 91 THR MG . . 3.890 2.055 1.909 2.233 . 0 0 "[ . 1 . 2]" 1
773 1 41 ALA MB 1 51 GLY H . . 5.270 5.963 5.457 6.438 1.168 7 13 "[** * +**** *-. ** *]" 1
774 1 41 ALA H 1 52 LEU HA . . 4.800 5.694 5.436 5.893 1.093 13 20 [************+******-] 1
775 1 20 LEU H 1 52 LEU H . . 4.340 6.035 5.572 6.547 2.207 6 20 [*****+*****-********] 1
776 1 19 GLU H 1 52 LEU H . . 5.500 8.937 8.567 9.516 4.016 7 20 [******+****-********] 1
777 1 55 VAL H 1 56 SER H . . 3.930 2.543 2.524 2.572 . 0 0 "[ . 1 . 2]" 1
778 1 56 SER H 1 57 TYR H . . 4.190 2.164 1.861 2.313 . 0 0 "[ . 1 . 2]" 1
779 1 56 SER H 1 56 SER QB . . 3.740 2.500 2.433 2.600 . 0 0 "[ . 1 . 2]" 1
780 1 57 TYR H 1 58 VAL H . . 3.080 4.380 4.263 4.529 1.449 11 20 [**********+*-*******] 1
781 1 56 SER QB 1 57 TYR H . . 4.290 3.560 2.901 3.710 . 0 0 "[ . 1 . 2]" 1
782 1 58 VAL H 1 59 ARG H . . 4.760 4.251 4.109 4.456 . 0 0 "[ . 1 . 2]" 1
783 1 8 THR MG 1 58 VAL H . . 5.500 4.646 4.450 4.905 . 0 0 "[ . 1 . 2]" 1
784 1 9 LEU HG 1 58 VAL H . . 5.500 3.477 2.834 3.665 . 0 0 "[ . 1 . 2]" 1
785 1 9 LEU QD 1 58 VAL H . . 4.410 3.497 2.985 3.688 . 0 0 "[ . 1 . 2]" 1
786 1 9 LEU HG 1 59 ARG H . . 4.130 6.634 6.189 6.930 2.800 4 20 [***+***********-****] 1
787 1 6 ALA H 1 60 ILE HA . . 5.500 7.515 7.277 7.763 2.263 16 20 [************-**+****] 1
788 1 59 ARG H 1 60 ILE HA . . 5.500 5.453 5.249 5.537 0.037 2 0 "[ . 1 . 2]" 1
789 1 6 ALA H 1 6 ALA MB . . 3.630 2.454 2.280 2.586 . 0 0 "[ . 1 . 2]" 1
790 1 60 ILE H 1 60 ILE MD . . 3.590 3.877 3.715 4.015 0.425 3 0 "[ . 1 . 2]" 1
791 1 5 PHE H 1 6 ALA H . . 4.900 4.442 4.330 4.505 . 0 0 "[ . 1 . 2]" 1
792 1 6 ALA H 1 61 ILE H . . 5.380 8.120 7.642 8.496 3.116 16 20 [*************-*+****] 1
793 1 60 ILE MD 1 61 ILE H . . 4.180 4.030 3.365 4.606 0.426 13 0 "[ . 1 . 2]" 1
794 1 6 ALA MB 1 61 ILE H . . 3.850 7.166 6.918 7.337 3.487 4 20 [***+*********-******] 1
795 1 60 ILE MG 1 61 ILE H . . 3.890 3.554 3.383 3.816 . 0 0 "[ . 1 . 2]" 1
796 1 5 PHE QD 1 63 LEU H . . 4.400 5.895 4.966 6.643 2.243 11 20 [**********+*-*******] 1
797 1 63 LEU H 1 63 LEU HB3 . . 3.800 3.593 3.422 3.652 . 0 0 "[ . 1 . 2]" 1
798 1 63 LEU H 1 63 LEU HB2 . . 3.800 2.440 2.161 2.718 . 0 0 "[ . 1 . 2]" 1
799 1 64 MET H 1 64 MET QB . . 3.370 2.903 2.691 3.234 . 0 0 "[ . 1 . 2]" 1
800 1 65 ASP HA 1 67 ALA H . . 4.160 3.883 3.599 4.456 0.296 16 0 "[ . 1 . 2]" 1
801 1 66 PRO QB 1 67 ALA H . . 4.240 3.363 2.839 3.816 . 0 0 "[ . 1 . 2]" 1
802 1 67 ALA H 1 68 LYS QB . . 4.150 4.650 4.510 4.741 0.591 9 12 "[-** ****+1 ** .** 2]" 1
803 1 69 TYR H 1 70 ALA H . . 3.560 2.376 2.279 2.649 . 0 0 "[ . 1 . 2]" 1
804 1 68 LYS H 1 69 TYR H . . 3.530 2.664 2.401 2.726 . 0 0 "[ . 1 . 2]" 1
805 1 68 LYS QB 1 69 TYR H . . 4.270 3.697 3.392 3.722 . 0 0 "[ . 1 . 2]" 1
806 1 70 ALA H 1 71 SER H . . 3.980 2.197 1.892 2.580 . 0 0 "[ . 1 . 2]" 1
807 1 67 ALA HA 1 70 ALA H . . 4.290 5.079 4.750 5.503 1.213 12 19 "[******-****+*** ****]" 1
808 1 74 THR H 1 75 TYR H . . 3.330 2.746 2.320 2.830 . 0 0 "[ . 1 . 2]" 1
809 1 74 THR H 1 76 ASP H . . 4.760 6.542 6.166 6.630 1.870 7 20 [******+***-*********] 1
810 1 75 TYR H 1 75 TYR HB3 . . 3.750 3.011 2.557 3.534 . 0 0 "[ . 1 . 2]" 1
811 1 76 ASP HB3 1 77 ARG H . . 4.570 3.953 3.923 4.072 . 0 0 "[ . 1 . 2]" 1
812 1 76 ASP HB2 1 77 ARG H . . 4.570 4.097 4.049 4.143 . 0 0 "[ . 1 . 2]" 1
813 1 77 ARG H 1 77 ARG QB . . 3.440 2.168 2.099 2.273 . 0 0 "[ . 1 . 2]" 1
814 1 77 ARG H 1 77 ARG QG . . 3.390 2.857 2.623 3.059 . 0 0 "[ . 1 . 2]" 1
815 1 78 GLU H 1 78 GLU QG . . 3.200 2.217 2.084 2.337 . 0 0 "[ . 1 . 2]" 1
816 1 77 ARG QB 1 78 GLU H . . 4.130 2.420 2.331 2.547 . 0 0 "[ . 1 . 2]" 1
817 1 77 ARG QG 1 78 GLU H . . 3.490 4.239 4.171 4.326 0.836 18 20 [***-*************+**] 1
818 1 78 GLU QB 1 79 GLN H . . 3.350 2.213 2.169 2.260 . 0 0 "[ . 1 . 2]" 1
819 1 80 VAL H 1 81 MET QB . . 4.560 4.625 4.460 4.721 0.161 18 0 "[ . 1 . 2]" 1
820 1 82 LYS H 1 85 ASP H . . 5.310 4.622 4.546 4.796 . 0 0 "[ . 1 . 2]" 1
821 1 103 LYS H 1 104 GLU H . . 3.710 4.446 2.552 4.638 0.928 12 19 "[******** **+*****-**]" 1
822 1 82 LYS H 1 84 ILE H . . 4.710 3.930 3.855 4.008 . 0 0 "[ . 1 . 2]" 1
823 1 83 ILE H 1 83 ILE MD . . 3.880 3.507 3.453 3.581 . 0 0 "[ . 1 . 2]" 1
824 1 36 TYR QD 1 84 ILE H . . 4.880 5.156 4.853 5.671 0.791 18 1 "[ . 1 . + 2]" 1
825 1 36 TYR QE 1 84 ILE H . . 5.160 3.646 3.377 4.086 . 0 0 "[ . 1 . 2]" 1
826 1 81 MET HA 1 84 ILE H . . 4.410 3.631 3.556 3.693 . 0 0 "[ . 1 . 2]" 1
827 1 85 ASP H 1 86 GLU H . . 2.740 2.742 2.569 2.831 0.091 11 0 "[ . 1 . 2]" 1
828 1 36 TYR QE 1 85 ASP H . . 4.250 6.190 5.919 6.631 2.381 18 20 [***************-*+**] 1
829 1 85 ASP H 1 85 ASP HB2 . . 3.450 2.314 2.262 2.393 . 0 0 "[ . 1 . 2]" 1
830 1 85 ASP H 1 85 ASP HB3 . . 3.450 3.555 3.536 3.576 0.126 14 0 "[ . 1 . 2]" 1
831 1 81 MET QB 1 85 ASP H . . 5.050 4.499 4.395 4.641 . 0 0 "[ . 1 . 2]" 1
832 1 86 GLU H 1 88 LYS H . . 3.960 4.418 4.066 4.682 0.722 17 9 "[ - . ***1* .*+ **]" 1
833 1 85 ASP HB2 1 86 GLU H . . 4.170 2.557 2.415 2.931 . 0 0 "[ . 1 . 2]" 1
834 1 85 ASP HB3 1 86 GLU H . . 4.170 3.295 3.171 3.635 . 0 0 "[ . 1 . 2]" 1
835 1 86 GLU H 1 86 GLU QB . . 3.380 2.237 2.186 2.284 . 0 0 "[ . 1 . 2]" 1
836 1 87 PHE H 1 88 LYS H . . 3.300 2.821 2.742 2.917 . 0 0 "[ . 1 . 2]" 1
837 1 85 ASP HA 1 88 LYS H . . 4.340 6.562 6.426 6.710 2.370 4 20 [***+*-**************] 1
838 1 87 PHE HB2 1 88 LYS H . . 4.550 4.362 4.290 4.441 . 0 0 "[ . 1 . 2]" 1
839 1 87 PHE HB3 1 88 LYS H . . 4.550 4.391 4.337 4.458 . 0 0 "[ . 1 . 2]" 1
840 1 91 THR H 1 94 GLN HA . . 5.400 7.205 7.064 7.311 1.911 13 20 [************+***-***] 1
841 1 34 TYR QD 1 92 VAL H . . 4.700 3.802 3.312 4.218 . 0 0 "[ . 1 . 2]" 1
842 1 32 ALA MB 1 92 VAL H . . 4.010 5.013 4.614 5.414 1.404 19 20 [******-***********+*] 1
843 1 93 GLU H 1 93 GLU QB . . 3.270 2.562 2.217 2.626 . 0 0 "[ . 1 . 2]" 1
844 1 93 GLU H 1 93 GLU HG2 . . 3.920 2.287 1.951 3.806 . 0 0 "[ . 1 . 2]" 1
845 1 93 GLU H 1 93 GLU HG3 . . 3.920 3.547 2.381 4.026 0.106 12 0 "[ . 1 . 2]" 1
846 1 91 THR MG 1 94 GLN H . . 4.760 5.232 5.156 5.295 0.535 7 3 "[ . + 1 *-. 2]" 1
847 1 93 GLU QB 1 94 GLN H . . 3.440 2.575 2.429 2.857 . 0 0 "[ . 1 . 2]" 1
848 1 95 TRP H 1 96 LYS H . . 2.900 2.698 2.564 2.819 . 0 0 "[ . 1 . 2]" 1
849 1 91 THR HA 1 95 TRP H . . 5.230 4.195 3.986 4.599 . 0 0 "[ . 1 . 2]" 1
850 1 32 ALA MB 1 95 TRP H . . 4.150 5.073 4.730 5.362 1.212 19 20 [*****************-+*] 1
851 1 95 TRP H 1 95 TRP HE3 . . 5.080 4.224 2.590 5.094 0.014 19 0 "[ . 1 . 2]" 1
852 1 95 TRP HE3 1 96 LYS H . . 4.170 6.129 4.115 6.973 2.803 2 17 "[*+**** **** * -*****]" 1
853 1 96 LYS H 1 96 LYS HB2 . . 3.660 2.459 2.212 2.726 . 0 0 "[ . 1 . 2]" 1
854 1 97 ASP H 1 97 ASP QB . . 3.200 2.332 2.172 2.479 . 0 0 "[ . 1 . 2]" 1
855 1 96 LYS HB2 1 97 ASP H . . 4.070 3.614 2.724 4.062 . 0 0 "[ . 1 . 2]" 1
856 1 96 LYS HB3 1 97 ASP H . . 4.070 2.714 2.363 3.380 . 0 0 "[ . 1 . 2]" 1
857 1 100 ARG H 1 100 ARG QB . . 3.280 2.443 2.318 2.593 . 0 0 "[ . 1 . 2]" 1
858 1 100 ARG H 1 100 ARG QG . . 3.450 2.288 1.981 2.563 . 0 0 "[ . 1 . 2]" 1
859 1 98 GLN HA 1 101 ARG H . . 4.080 3.462 3.239 3.848 . 0 0 "[ . 1 . 2]" 1
860 1 100 ARG QB 1 101 ARG H . . 3.750 3.152 2.460 3.672 . 0 0 "[ . 1 . 2]" 1
861 1 102 TYR H 1 103 LYS H . . 2.740 2.406 2.158 2.688 . 0 0 "[ . 1 . 2]" 1
862 1 102 TYR H 1 102 TYR QB . . 3.280 2.233 2.153 2.352 . 0 0 "[ . 1 . 2]" 1
863 1 100 ARG HA 1 103 LYS H . . 3.750 3.355 3.191 3.611 . 0 0 "[ . 1 . 2]" 1
864 1 103 LYS H 1 103 LYS HG2 . . 4.260 2.879 1.999 4.079 . 0 0 "[ . 1 . 2]" 1
865 1 101 ARG QB 1 103 LYS H . . 5.470 4.599 4.414 4.791 . 0 0 "[ . 1 . 2]" 1
866 1 103 LYS HA 1 104 GLU H . . 3.460 2.583 2.184 3.161 . 0 0 "[ . 1 . 2]" 1
867 1 103 LYS QB 1 104 GLU H . . 3.260 2.303 1.900 3.933 0.673 9 1 "[ . +1 . 2]" 1
868 1 83 ILE MG 1 84 ILE H . . 3.900 3.507 3.406 3.595 . 0 0 "[ . 1 . 2]" 1
869 1 106 SER HA 1 107 ILE H . . 3.060 2.454 2.174 3.564 0.504 6 1 "[ .+ 1 . 2]" 1
870 1 107 ILE HA 1 108 GLN H . . 3.420 2.501 2.157 2.729 . 0 0 "[ . 1 . 2]" 1
871 1 108 GLN HA 1 109 ILE H . . 3.130 2.533 2.150 3.576 0.446 9 0 "[ . 1 . 2]" 1
872 1 81 MET QB 1 82 LYS H . . 3.410 2.606 2.451 2.704 . 0 0 "[ . 1 . 2]" 1
873 1 83 ILE HB 1 84 ILE H . . 3.140 2.766 2.728 2.906 . 0 0 "[ . 1 . 2]" 1
874 1 83 ILE HA 1 85 ASP H . . 4.380 4.756 4.606 4.852 0.472 7 0 "[ . 1 . 2]" 1
875 1 6 ALA MB 1 59 ARG H . . 4.270 4.117 3.575 4.372 0.102 7 0 "[ . 1 . 2]" 1
876 1 27 ASN HD21 1 44 ILE MG . . 5.500 5.360 4.826 5.506 0.006 13 0 "[ . 1 . 2]" 1
877 1 7 VAL QG 1 27 ASN HD21 . . 4.920 4.485 4.131 4.716 . 0 0 "[ . 1 . 2]" 1
878 1 92 VAL H 1 93 GLU H . . 3.780 2.891 2.764 2.995 . 0 0 "[ . 1 . 2]" 1
879 1 86 GLU HA 1 88 LYS H . . 3.990 5.150 4.778 5.440 1.450 17 20 [*****-**********+***] 1
880 1 38 TRP QB 1 38 TRP HE1 . . 4.870 4.437 4.411 4.466 . 0 0 "[ . 1 . 2]" 1
881 1 37 GLU QB 1 38 TRP HE1 . . 4.110 3.306 3.030 3.476 . 0 0 "[ . 1 . 2]" 1
882 1 5 PHE HA 1 5 PHE QD . . 4.100 3.017 1.981 3.137 . 0 0 "[ . 1 . 2]" 1
883 1 9 LEU QD 1 10 TYR QD . . 4.370 3.555 3.195 3.813 . 0 0 "[ . 1 . 2]" 1
884 1 34 TYR HA 1 34 TYR QE . . 4.780 4.541 4.416 4.714 . 0 0 "[ . 1 . 2]" 1
885 1 36 TYR QD 1 81 MET HA . . 3.680 6.842 6.714 7.037 3.357 18 20 [********-********+**] 1
886 1 36 TYR HA 1 36 TYR QD . . 3.690 3.028 2.989 3.088 . 0 0 "[ . 1 . 2]" 1
887 1 36 TYR QD 1 81 MET QB . . 4.240 7.180 7.085 7.370 3.130 18 20 [***************-*+**] 1
888 1 33 HIS HE1 1 36 TYR QE . . 4.080 2.932 2.848 2.991 . 0 0 "[ . 1 . 2]" 1
889 1 35 ASP HA 1 36 TYR QE . . 4.320 3.728 3.641 3.808 . 0 0 "[ . 1 . 2]" 1
890 1 36 TYR QE 1 81 MET HA . . 3.430 5.817 5.688 5.930 2.500 13 20 [************+*-*****] 1
891 1 36 TYR HA 1 36 TYR QE . . 4.990 4.780 4.767 4.823 . 0 0 "[ . 1 . 2]" 1
892 1 39 PHE HA 1 39 PHE QD . . 4.400 2.365 2.211 2.889 . 0 0 "[ . 1 . 2]" 1
893 1 40 ILE QG 1 95 TRP HE3 . . 5.380 5.476 4.838 6.769 1.389 15 4 "[ . * 1 *+ -2]" 1
894 1 34 TYR QD 1 38 TRP HD1 . . 3.550 2.309 1.992 2.706 . 0 0 "[ . 1 . 2]" 1
895 1 34 TYR QE 1 38 TRP HD1 . . 4.390 4.143 3.668 4.411 0.021 12 0 "[ . 1 . 2]" 1
896 1 37 GLU HA 1 38 TRP HD1 . . 5.290 4.966 4.655 5.193 . 0 0 "[ . 1 . 2]" 1
897 1 37 GLU HG3 1 38 TRP HD1 . . 4.330 3.219 1.965 4.262 . 0 0 "[ . 1 . 2]" 1
898 1 37 GLU QB 1 38 TRP HD1 . . 3.420 2.594 1.979 3.436 0.016 12 0 "[ . 1 . 2]" 1
899 1 33 HIS HE1 1 36 TYR QD . . 4.390 3.384 3.273 3.499 . 0 0 "[ . 1 . 2]" 1
900 1 33 HIS HE1 1 35 ASP HA . . 4.190 4.087 3.847 4.219 0.029 2 0 "[ . 1 . 2]" 1
901 1 39 PHE QE 1 60 ILE MD . . 3.860 9.480 9.101 9.763 5.903 11 20 [**-*******+*********] 1
902 1 10 TYR HA 1 10 TYR QE . . 4.970 4.762 4.698 4.837 . 0 0 "[ . 1 . 2]" 1
903 1 10 TYR QE 2 13 PRO HB2 . . 4.160 4.156 4.066 4.236 0.076 14 0 "[ . 1 . 2]" 1
904 1 10 TYR QE 2 13 PRO HB3 . . 4.160 3.952 3.247 4.216 0.056 11 0 "[ . 1 . 2]" 1
905 1 10 TYR QE 2 13 PRO HG2 . . 3.850 3.103 2.527 3.695 . 0 0 "[ . 1 . 2]" 1
906 1 36 TYR QE 1 81 MET QB . . 4.190 6.864 6.784 6.973 2.783 11 20 [**********+**-******] 1
907 1 36 TYR QE 1 84 ILE HA . . 5.380 4.500 4.104 5.146 . 0 0 "[ . 1 . 2]" 1
908 1 32 ALA HA 1 33 HIS HD2 . . 4.580 3.720 3.556 3.855 . 0 0 "[ . 1 . 2]" 1
909 1 39 PHE QD 1 40 ILE H . . 4.350 2.517 2.160 3.474 . 0 0 "[ . 1 . 2]" 1
910 1 40 ILE MG 1 95 TRP HE3 . . 4.600 5.002 4.111 6.650 2.050 7 7 "[ - . + 1 **** *2]" 1
911 1 33 HIS HA 1 39 PHE QD . . 4.520 3.052 2.683 3.736 . 0 0 "[ . 1 . 2]" 1
912 1 33 HIS HD2 1 91 THR HA . . 4.590 6.367 5.974 6.992 2.402 17 20 [********-*******+***] 1
913 1 10 TYR QE 2 13 PRO QD . . 4.300 3.218 2.953 3.538 . 0 0 "[ . 1 . 2]" 1
914 1 10 TYR QE 2 13 PRO HG3 . . 3.850 2.071 1.962 2.587 . 0 0 "[ . 1 . 2]" 1
915 1 5 PHE QD 1 29 SER HB2 . . 4.670 3.734 2.303 4.673 0.003 13 0 "[ . 1 . 2]" 1
916 1 5 PHE QD 1 44 ILE MG . . 4.450 4.233 3.860 4.454 0.004 4 0 "[ . 1 . 2]" 1
917 1 9 LEU QD 1 10 TYR QE . . 3.240 2.679 2.371 2.891 . 0 0 "[ . 1 . 2]" 1
918 1 12 PHE QE 1 38 TRP HZ3 . . 4.140 3.803 3.354 4.143 0.003 18 0 "[ . 1 . 2]" 1
919 1 12 PHE QE 1 14 ALA MB . . 4.810 4.106 3.649 4.685 . 0 0 "[ . 1 . 2]" 1
920 1 34 TYR QD 1 38 TRP QB . . 4.110 3.395 3.177 3.602 . 0 0 "[ . 1 . 2]" 1
921 1 12 PHE QE 1 38 TRP HH2 . . 5.050 4.614 4.002 5.059 0.009 18 0 "[ . 1 . 2]" 1
922 1 35 ASP HA 1 91 THR MG . . 4.760 6.734 6.414 7.054 2.294 8 20 [**-****+************] 1
923 1 34 TYR HB3 1 38 TRP HD1 . . 4.380 2.950 2.580 3.373 . 0 0 "[ . 1 . 2]" 1
924 1 5 PHE HB2 1 44 ILE MD . . 5.210 4.764 3.332 5.216 0.006 6 0 "[ . 1 . 2]" 1
925 2 11 LYS HA 2 12 PRO HD3 . . 3.700 2.340 2.254 2.355 . 0 0 "[ . 1 . 2]" 1
926 2 11 LYS HA 2 12 PRO HD2 . . 3.700 2.482 2.168 2.519 . 0 0 "[ . 1 . 2]" 1
927 1 3 PRO HA 1 4 LEU QD . . 4.970 4.317 3.283 5.168 0.198 6 0 "[ . 1 . 2]" 1
928 1 3 PRO QB 1 5 PHE QE . . 3.890 2.389 1.950 2.783 . 0 0 "[ . 1 . 2]" 1
929 1 3 PRO QG 1 5 PHE QE . . 4.160 3.801 2.953 4.206 0.046 18 0 "[ . 1 . 2]" 1
930 1 4 LEU HG 1 30 ILE QG . . 5.340 4.025 2.088 5.422 0.082 6 0 "[ . 1 . 2]" 1
931 1 4 LEU QD 1 5 PHE QD . . 5.440 4.554 4.112 5.111 . 0 0 "[ . 1 . 2]" 1
932 1 4 LEU QD 1 30 ILE QG . . 4.430 2.626 1.768 3.354 . 0 0 "[ . 1 . 2]" 1
933 1 4 LEU QD 1 39 PHE QE . . 4.920 3.301 2.539 3.663 . 0 0 "[ . 1 . 2]" 1
934 1 4 LEU QD 1 87 PHE QB . . 4.410 6.012 5.724 6.983 2.573 6 20 [*****+**********-***] 1
935 1 5 PHE QB 1 6 ALA H . . 3.580 2.697 2.395 2.948 . 0 0 "[ . 1 . 2]" 1
936 1 5 PHE QB 1 29 SER HA . . 4.560 3.736 3.095 4.255 . 0 0 "[ . 1 . 2]" 1
937 1 5 PHE QB 1 44 ILE MD . . 4.370 3.448 2.076 3.826 . 0 0 "[ . 1 . 2]" 1
938 1 5 PHE QD 1 63 LEU QB . . 4.190 7.368 6.337 8.054 3.864 19 20 [***-**************+*] 1
939 1 6 ALA MB 1 28 LEU QB . . 3.860 3.226 2.990 3.446 . 0 0 "[ . 1 . 2]" 1
940 1 6 ALA MB 1 30 ILE QG . . 3.400 2.091 1.883 2.603 . 0 0 "[ . 1 . 2]" 1
941 1 6 ALA MB 1 60 ILE QG . . 5.020 3.838 3.628 3.992 . 0 0 "[ . 1 . 2]" 1
942 1 7 VAL H 1 28 LEU QD . . 5.440 4.759 4.400 5.227 . 0 0 "[ . 1 . 2]" 1
943 1 7 VAL HA 1 28 LEU QD . . 4.180 3.134 2.721 3.766 . 0 0 "[ . 1 . 2]" 1
944 1 7 VAL QG 1 9 LEU QB . . 5.340 4.461 4.364 4.618 . 0 0 "[ . 1 . 2]" 1
945 1 8 THR H 1 28 LEU QD . . 4.400 2.524 2.095 2.978 . 0 0 "[ . 1 . 2]" 1
946 1 8 THR HA 1 22 VAL QG . . 5.440 4.116 3.895 4.601 . 0 0 "[ . 1 . 2]" 1
947 1 8 THR HA 1 28 LEU QD . . 4.480 3.674 3.377 3.955 . 0 0 "[ . 1 . 2]" 1
948 1 8 THR HB 1 22 VAL QG . . 3.910 2.995 2.596 3.917 0.007 16 0 "[ . 1 . 2]" 1
949 1 8 THR HB 1 28 LEU QD . . 4.240 3.735 3.449 3.983 . 0 0 "[ . 1 . 2]" 1
950 1 8 THR MG 1 22 VAL QG . . 2.990 1.734 1.612 2.013 . 0 0 "[ . 1 . 2]" 1
951 1 8 THR MG 1 28 LEU QD . . 2.950 2.053 1.785 2.618 . 0 0 "[ . 1 . 2]" 1
952 1 9 LEU H 1 9 LEU QB . . 3.400 2.588 2.466 2.744 . 0 0 "[ . 1 . 2]" 1
953 1 9 LEU H 1 28 LEU QD . . 5.440 5.298 5.067 5.474 0.034 11 0 "[ . 1 . 2]" 1
954 1 9 LEU QB 1 9 LEU QD . . 2.550 1.881 1.739 1.938 . 0 0 "[ . 1 . 2]" 1
955 1 9 LEU QB 1 10 TYR H . . 3.660 3.099 2.983 3.189 . 0 0 "[ . 1 . 2]" 1
956 1 9 LEU QB 1 10 TYR QE . . 4.010 2.468 2.377 2.658 . 0 0 "[ . 1 . 2]" 1
957 1 9 LEU QB 1 57 TYR HA . . 5.340 4.505 4.257 5.020 . 0 0 "[ . 1 . 2]" 1
958 1 10 TYR QD 2 13 PRO QG . . 4.060 3.632 3.077 4.089 0.029 9 0 "[ . 1 . 2]" 1
959 1 10 TYR QE 2 13 PRO QB . . 3.650 3.580 3.139 3.734 0.084 11 0 "[ . 1 . 2]" 1
960 1 10 TYR QE 2 13 PRO QG . . 3.310 2.033 1.907 2.521 . 0 0 "[ . 1 . 2]" 1
961 1 11 GLU H 1 11 GLU QG . . 4.420 3.954 3.910 4.014 . 0 0 "[ . 1 . 2]" 1
962 1 11 GLU HA 1 11 GLU QG . . 3.450 2.630 2.483 3.173 . 0 0 "[ . 1 . 2]" 1
963 1 11 GLU HA 1 12 PHE QB . . 5.340 4.142 4.090 4.181 . 0 0 "[ . 1 . 2]" 1
964 1 11 GLU HA 1 22 VAL QG . . 4.610 3.551 3.250 3.859 . 0 0 "[ . 1 . 2]" 1
965 1 11 GLU HA 1 23 SER QB . . 4.690 4.356 3.996 4.513 . 0 0 "[ . 1 . 2]" 1
966 1 11 GLU QG 1 12 PHE H . . 4.450 3.197 2.879 3.886 . 0 0 "[ . 1 . 2]" 1
967 1 11 GLU QG 1 12 PHE HA . . 5.340 4.100 3.923 4.300 . 0 0 "[ . 1 . 2]" 1
968 1 11 GLU QG 1 13 LYS QG . . 3.310 2.691 2.351 3.047 . 0 0 "[ . 1 . 2]" 1
969 1 11 GLU QG 1 13 LYS QD . . 3.940 3.190 2.279 3.912 . 0 0 "[ . 1 . 2]" 1
970 1 11 GLU QG 1 13 LYS QE . . 4.340 3.259 2.118 4.304 . 0 0 "[ . 1 . 2]" 1
971 1 11 GLU QG 1 23 SER HA . . 4.290 3.475 3.036 4.059 . 0 0 "[ . 1 . 2]" 1
972 1 11 GLU QG 1 23 SER QB . . 5.180 4.731 4.188 5.154 . 0 0 "[ . 1 . 2]" 1
973 1 12 PHE H 1 22 VAL QG . . 3.700 2.352 2.113 2.515 . 0 0 "[ . 1 . 2]" 1
974 1 12 PHE HA 1 13 LYS QG . . 4.490 4.133 3.808 4.454 . 0 0 "[ . 1 . 2]" 1
975 1 12 PHE HA 1 22 VAL QG . . 4.920 4.095 3.942 4.274 . 0 0 "[ . 1 . 2]" 1
976 1 12 PHE QB 1 22 VAL H . . 4.260 2.916 2.308 3.537 . 0 0 "[ . 1 . 2]" 1
977 1 12 PHE QB 1 22 VAL QG . . 3.130 1.903 1.811 2.028 . 0 0 "[ . 1 . 2]" 1
978 1 12 PHE QD 1 22 VAL QG . . 3.600 3.144 2.666 3.517 . 0 0 "[ . 1 . 2]" 1
979 1 12 PHE QE 1 19 GLU QB . . 4.580 3.150 2.322 4.282 . 0 0 "[ . 1 . 2]" 1
980 1 12 PHE QE 1 22 VAL QG . . 5.360 4.875 4.339 5.233 . 0 0 "[ . 1 . 2]" 1
981 1 13 LYS H 1 13 LYS QB . . 3.150 2.445 2.290 2.664 . 0 0 "[ . 1 . 2]" 1
982 1 13 LYS H 1 13 LYS QG . . 3.490 2.786 2.349 3.231 . 0 0 "[ . 1 . 2]" 1
983 1 13 LYS HA 1 21 ASP QB . . 4.640 3.178 2.393 3.982 . 0 0 "[ . 1 . 2]" 1
984 1 13 LYS QB 1 13 LYS QD . . 2.510 2.137 1.986 2.333 . 0 0 "[ . 1 . 2]" 1
985 1 13 LYS QB 1 13 LYS QE . . 4.450 3.430 2.616 3.808 . 0 0 "[ . 1 . 2]" 1
986 1 13 LYS QB 1 14 ALA H . . 3.750 3.459 2.888 3.681 . 0 0 "[ . 1 . 2]" 1
987 1 13 LYS QB 1 14 ALA MB . . 5.290 4.588 4.232 4.729 . 0 0 "[ . 1 . 2]" 1
988 1 13 LYS QE 1 13 LYS QG . . 3.100 2.191 2.022 2.383 . 0 0 "[ . 1 . 2]" 1
989 1 14 ALA HA 1 15 GLU QG . . 4.650 3.642 3.359 4.162 . 0 0 "[ . 1 . 2]" 1
990 1 14 ALA HA 1 19 GLU QB . . 4.570 2.311 1.999 2.702 . 0 0 "[ . 1 . 2]" 1
991 1 14 ALA MB 1 15 GLU QG . . 4.830 4.078 3.870 4.334 . 0 0 "[ . 1 . 2]" 1
992 1 14 ALA MB 1 19 GLU QB . . 3.240 1.986 1.810 2.244 . 0 0 "[ . 1 . 2]" 1
993 1 15 GLU H 1 15 GLU QG . . 3.440 2.076 1.929 2.283 . 0 0 "[ . 1 . 2]" 1
994 1 15 GLU H 1 19 GLU QB . . 4.360 2.117 1.940 2.310 . 0 0 "[ . 1 . 2]" 1
995 1 15 GLU HA 1 15 GLU QG . . 3.600 3.336 3.315 3.450 . 0 0 "[ . 1 . 2]" 1
996 1 15 GLU QB 1 19 GLU QB . . 4.700 4.430 4.196 4.657 . 0 0 "[ . 1 . 2]" 1
997 1 15 GLU QG 1 16 ARG H . . 3.510 2.215 1.945 2.468 . 0 0 "[ . 1 . 2]" 1
998 1 15 GLU QG 1 16 ARG HB2 . . 5.340 3.055 2.775 3.424 . 0 0 "[ . 1 . 2]" 1
999 1 15 GLU QG 1 16 ARG HG2 . . 4.240 2.692 2.026 3.885 . 0 0 "[ . 1 . 2]" 1
1000 1 15 GLU QG 1 16 ARG HG3 . . 4.820 3.487 2.912 4.059 . 0 0 "[ . 1 . 2]" 1
1001 1 15 GLU QG 1 19 GLU HA . . 5.340 5.248 4.911 5.345 0.005 14 0 "[ . 1 . 2]" 1
1002 1 16 ARG H 1 19 GLU QB . . 3.730 2.216 1.932 2.492 . 0 0 "[ . 1 . 2]" 1
1003 1 16 ARG HA 1 16 ARG QD . . 3.350 2.402 2.015 3.358 0.008 1 0 "[ . 1 . 2]" 1
1004 1 16 ARG HB2 1 19 GLU QB . . 4.690 3.663 2.936 4.328 . 0 0 "[ . 1 . 2]" 1
1005 1 16 ARG HB3 1 16 ARG QD . . 3.510 2.370 2.110 2.715 . 0 0 "[ . 1 . 2]" 1
1006 1 18 ASP H 1 18 ASP QB . . 3.500 2.563 2.240 2.733 . 0 0 "[ . 1 . 2]" 1
1007 1 19 GLU H 1 19 GLU QB . . 3.320 2.391 2.080 2.602 . 0 0 "[ . 1 . 2]" 1
1008 1 19 GLU QB 1 20 LEU H . . 3.740 2.902 1.992 3.579 . 0 0 "[ . 1 . 2]" 1
1009 1 20 LEU HA 1 21 ASP QB . . 5.260 4.241 4.044 4.592 . 0 0 "[ . 1 . 2]" 1
1010 1 20 LEU HG 1 22 VAL QG . . 5.440 4.535 3.433 5.030 . 0 0 "[ . 1 . 2]" 1
1011 1 20 LEU HG 1 43 PRO QD . . 5.180 4.402 3.889 4.776 . 0 0 "[ . 1 . 2]" 1
1012 1 20 LEU QD 1 21 ASP H . . 4.320 3.144 2.493 3.617 . 0 0 "[ . 1 . 2]" 1
1013 1 20 LEU QD 1 41 ALA H . . 5.440 5.321 4.616 5.481 0.041 18 0 "[ . 1 . 2]" 1
1014 1 20 LEU QD 1 42 LYS HA . . 5.440 3.046 2.552 3.289 . 0 0 "[ . 1 . 2]" 1
1015 1 20 LEU QD 1 43 PRO QD . . 3.090 1.890 1.796 2.045 . 0 0 "[ . 1 . 2]" 1
1016 1 20 LEU QD 1 48 GLY QA . . 4.990 3.329 2.022 3.892 . 0 0 "[ . 1 . 2]" 1
1017 1 21 ASP H 1 21 ASP QB . . 3.130 2.427 2.224 2.738 . 0 0 "[ . 1 . 2]" 1
1018 1 21 ASP HA 1 22 VAL QG . . 4.450 3.489 3.063 3.810 . 0 0 "[ . 1 . 2]" 1
1019 1 21 ASP QB 1 22 VAL H . . 3.830 3.286 2.862 3.786 . 0 0 "[ . 1 . 2]" 1
1020 1 22 VAL H 1 22 VAL QG . . 3.140 2.238 2.040 2.409 . 0 0 "[ . 1 . 2]" 1
1021 1 22 VAL HA 1 23 SER QB . . 4.600 4.184 4.068 4.667 0.067 18 0 "[ . 1 . 2]" 1
1022 1 22 VAL QG 1 23 SER H . . 3.660 2.348 1.884 3.168 . 0 0 "[ . 1 . 2]" 1
1023 1 22 VAL QG 1 23 SER HA . . 5.260 3.674 3.387 4.200 . 0 0 "[ . 1 . 2]" 1
1024 1 22 VAL QG 1 23 SER QB . . 5.190 3.977 3.584 4.858 . 0 0 "[ . 1 . 2]" 1
1025 1 22 VAL QG 1 26 GLU HB3 . . 4.180 3.365 2.879 4.120 . 0 0 "[ . 1 . 2]" 1
1026 1 22 VAL QG 1 26 GLU QG . . 4.150 3.369 2.757 4.182 0.032 18 0 "[ . 1 . 2]" 1
1027 1 22 VAL QG 1 28 LEU HA . . 5.440 5.047 4.684 5.395 . 0 0 "[ . 1 . 2]" 1
1028 1 22 VAL QG 1 28 LEU QD . . 2.720 1.757 1.674 1.900 . 0 0 "[ . 1 . 2]" 1
1029 1 22 VAL QG 1 43 PRO QB . . 5.060 4.677 4.041 4.865 . 0 0 "[ . 1 . 2]" 1
1030 1 23 SER H 1 23 SER QB . . 3.510 2.453 2.259 3.139 . 0 0 "[ . 1 . 2]" 1
1031 1 23 SER H 1 26 GLU QG . . 4.070 2.803 2.376 3.079 . 0 0 "[ . 1 . 2]" 1
1032 1 23 SER H 1 28 LEU QD . . 4.780 4.241 3.625 4.672 . 0 0 "[ . 1 . 2]" 1
1033 1 23 SER QB 1 24 PRO HA . . 4.850 4.514 4.483 4.910 0.060 7 0 "[ . 1 . 2]" 1
1034 1 23 SER QB 1 24 PRO HG2 . . 4.520 3.654 3.614 3.867 . 0 0 "[ . 1 . 2]" 1
1035 1 23 SER QB 1 24 PRO HG3 . . 4.750 4.507 4.459 4.543 . 0 0 "[ . 1 . 2]" 1
1036 1 23 SER QB 1 24 PRO HD2 . . 3.160 2.023 1.957 2.193 . 0 0 "[ . 1 . 2]" 1
1037 1 23 SER QB 1 24 PRO HD3 . . 3.890 3.367 3.273 3.415 . 0 0 "[ . 1 . 2]" 1
1038 1 23 SER QB 1 26 GLU HB3 . . 5.340 5.059 4.688 5.369 0.029 18 0 "[ . 1 . 2]" 1
1039 1 23 SER QB 1 26 GLU QG . . 4.160 2.732 2.212 3.261 . 0 0 "[ . 1 . 2]" 1
1040 1 25 GLY H 1 28 LEU QD . . 5.440 5.139 4.851 5.444 0.004 1 0 "[ . 1 . 2]" 1
1041 1 26 GLU H 1 28 LEU QD . . 4.800 4.164 3.773 4.791 . 0 0 "[ . 1 . 2]" 1
1042 1 26 GLU HA 1 26 GLU QG . . 3.490 2.544 2.187 2.765 . 0 0 "[ . 1 . 2]" 1
1043 1 26 GLU HB2 1 28 LEU QD . . 4.160 3.063 2.603 3.824 . 0 0 "[ . 1 . 2]" 1
1044 1 26 GLU HB3 1 28 LEU QD . . 3.820 2.965 2.392 3.688 . 0 0 "[ . 1 . 2]" 1
1045 1 26 GLU QG 1 27 ASN H . . 5.210 3.985 3.363 4.276 . 0 0 "[ . 1 . 2]" 1
1046 1 27 ASN H 1 27 ASN QB . . 3.580 2.497 2.297 2.629 . 0 0 "[ . 1 . 2]" 1
1047 1 27 ASN HA 1 28 LEU QD . . 4.530 3.346 2.844 4.273 . 0 0 "[ . 1 . 2]" 1
1048 1 27 ASN QB 1 28 LEU H . . 4.340 3.193 2.889 3.453 . 0 0 "[ . 1 . 2]" 1
1049 1 27 ASN QB 1 44 ILE QG . . 4.310 3.581 2.240 3.912 . 0 0 "[ . 1 . 2]" 1
1050 1 27 ASN QB 1 44 ILE MD . . 3.690 2.128 1.819 3.519 . 0 0 "[ . 1 . 2]" 1
1051 1 28 LEU H 1 28 LEU QD . . 4.110 2.700 2.312 3.553 . 0 0 "[ . 1 . 2]" 1
1052 1 28 LEU HA 1 28 LEU QD . . 3.490 2.647 1.913 3.117 . 0 0 "[ . 1 . 2]" 1
1053 1 28 LEU QB 1 29 SER H . . 3.750 2.675 2.275 2.886 . 0 0 "[ . 1 . 2]" 1
1054 1 28 LEU QB 1 41 ALA MB . . 3.970 1.896 1.815 2.130 . 0 0 "[ . 1 . 2]" 1
1055 1 28 LEU QD 1 29 SER H . . 4.060 3.596 3.171 4.031 . 0 0 "[ . 1 . 2]" 1
1056 1 28 LEU QD 1 41 ALA HA . . 4.970 4.376 3.668 4.974 0.004 10 0 "[ . 1 . 2]" 1
1057 1 28 LEU QD 1 41 ALA MB . . 3.030 2.359 1.850 3.081 0.051 13 0 "[ . 1 . 2]" 1
1058 1 28 LEU QD 1 42 LYS H . . 4.130 3.722 3.235 4.032 . 0 0 "[ . 1 . 2]" 1
1059 1 28 LEU QD 1 42 LYS HA . . 4.640 3.634 3.048 4.162 . 0 0 "[ . 1 . 2]" 1
1060 1 28 LEU QD 1 42 LYS QB . . 5.280 4.603 4.278 5.027 . 0 0 "[ . 1 . 2]" 1
1061 1 28 LEU QD 1 43 PRO HA . . 3.620 2.767 1.979 3.292 . 0 0 "[ . 1 . 2]" 1
1062 1 28 LEU QD 1 43 PRO QB . . 4.080 3.629 2.996 3.937 . 0 0 "[ . 1 . 2]" 1
1063 1 28 LEU QD 1 43 PRO QG . . 5.240 4.627 4.150 4.987 . 0 0 "[ . 1 . 2]" 1
1064 1 28 LEU QD 1 43 PRO QD . . 4.170 3.690 3.338 4.215 0.045 16 0 "[ . 1 . 2]" 1
1065 1 28 LEU QD 1 44 ILE H . . 4.940 3.735 2.594 4.460 . 0 0 "[ . 1 . 2]" 1
1066 1 28 LEU QD 1 59 ARG H . . 5.440 7.929 7.451 8.313 2.873 8 20 [*******+*-**********] 1
1067 1 29 SER H 1 44 ILE QG . . 4.430 2.802 2.382 3.347 . 0 0 "[ . 1 . 2]" 1
1068 1 33 HIS QB 1 34 TYR H . . 3.400 2.232 2.168 2.293 . 0 0 "[ . 1 . 2]" 1
1069 1 33 HIS QB 1 36 TYR HA . . 4.720 3.110 3.045 3.158 . 0 0 "[ . 1 . 2]" 1
1070 1 34 TYR HB3 1 37 GLU QG . . 4.830 4.153 3.410 4.803 . 0 0 "[ . 1 . 2]" 1
1071 1 34 TYR QD 1 35 ASP QB . . 4.140 3.001 2.090 3.530 . 0 0 "[ . 1 . 2]" 1
1072 1 34 TYR QE 1 35 ASP QB . . 4.110 3.805 3.206 4.117 0.007 7 0 "[ . 1 . 2]" 1
1073 1 35 ASP H 1 35 ASP QB . . 3.500 3.038 2.881 3.289 . 0 0 "[ . 1 . 2]" 1
1074 1 35 ASP QB 1 36 TYR H . . 4.270 3.714 3.649 3.774 . 0 0 "[ . 1 . 2]" 1
1075 1 35 ASP QB 1 37 GLU H . . 4.790 3.249 3.065 3.443 . 0 0 "[ . 1 . 2]" 1
1076 1 35 ASP QB 1 37 GLU QB . . 5.340 3.490 3.238 3.835 . 0 0 "[ . 1 . 2]" 1
1077 1 35 ASP QB 1 37 GLU QG . . 2.980 1.915 1.851 2.032 . 0 0 "[ . 1 . 2]" 1
1078 1 37 GLU H 1 37 GLU QG . . 3.420 2.202 1.991 2.408 . 0 0 "[ . 1 . 2]" 1
1079 1 37 GLU HA 1 37 GLU QG . . 3.350 3.192 2.837 3.282 . 0 0 "[ . 1 . 2]" 1
1080 1 37 GLU QG 1 38 TRP H . . 3.860 3.298 2.572 3.659 . 0 0 "[ . 1 . 2]" 1
1081 1 37 GLU QG 1 38 TRP QB . . 5.340 4.505 3.458 5.178 . 0 0 "[ . 1 . 2]" 1
1082 1 37 GLU QG 1 38 TRP HD1 . . 3.800 2.997 1.958 3.851 0.051 10 0 "[ . 1 . 2]" 1
1083 1 37 GLU QG 1 38 TRP HE1 . . 4.710 4.118 3.288 4.724 0.014 13 0 "[ . 1 . 2]" 1
1084 1 42 LYS H 1 42 LYS QB . . 3.620 2.947 2.462 3.166 . 0 0 "[ . 1 . 2]" 1
1085 1 42 LYS QB 1 42 LYS QD . . 2.750 2.123 2.034 2.262 . 0 0 "[ . 1 . 2]" 1
1086 1 42 LYS QB 1 42 LYS QE . . 4.070 2.982 2.122 3.661 . 0 0 "[ . 1 . 2]" 1
1087 1 42 LYS QB 1 43 PRO QG . . 3.820 3.501 3.454 3.693 . 0 0 "[ . 1 . 2]" 1
1088 1 42 LYS QB 1 43 PRO QD . . 4.030 1.940 1.913 1.973 . 0 0 "[ . 1 . 2]" 1
1089 1 42 LYS QG 1 43 PRO QD . . 4.570 3.608 2.454 3.854 . 0 0 "[ . 1 . 2]" 1
1090 1 44 ILE QG 1 44 ILE MG . . 2.610 2.288 2.193 2.359 . 0 0 "[ . 1 . 2]" 1
1091 1 44 ILE MG 1 45 ASN QB . . 4.770 4.477 3.727 4.786 0.016 12 0 "[ . 1 . 2]" 1
1092 1 45 ASN H 1 45 ASN QB . . 3.670 2.295 2.109 2.736 . 0 0 "[ . 1 . 2]" 1
1093 1 45 ASN HA 1 45 ASN QD . . 3.960 3.289 2.254 3.906 . 0 0 "[ . 1 . 2]" 1
1094 1 45 ASN QB 1 46 ARG HA . . 5.180 6.875 6.386 7.235 2.055 13 20 [*******-****+*******] 1
1095 1 46 ARG H 1 46 ARG QB . . 3.470 2.537 2.219 3.047 . 0 0 "[ . 1 . 2]" 1
1096 1 46 ARG QB 1 47 LEU H . . 3.260 2.846 1.890 3.912 0.652 19 3 "[ * . 1 - +2]" 1
1097 1 56 SER HA 1 75 TYR QB . . 5.340 11.987 11.111 12.470 7.130 6 20 [*****+***-**********] 1
1098 1 60 ILE H 1 60 ILE QG . . 3.790 2.178 1.969 2.336 . 0 0 "[ . 1 . 2]" 1
1099 1 60 ILE MG 1 87 PHE QB . . 5.340 13.724 13.343 14.139 8.799 12 20 [-**********+********] 1
1100 1 62 ASP QB 1 63 LEU H . . 4.480 2.899 2.706 3.416 . 0 0 "[ . 1 . 2]" 1
1101 1 62 ASP QB 1 68 LYS QB . . 4.750 7.980 7.251 8.653 3.903 1 20 [+**************-****] 1
1102 1 63 LEU H 1 63 LEU QB . . 3.080 2.400 2.139 2.644 . 0 0 "[ . 1 . 2]" 1
1103 1 63 LEU QB 1 64 MET H . . 3.660 2.923 2.779 3.403 . 0 0 "[ . 1 . 2]" 1
1104 1 63 LEU QB 1 64 MET QB . . 4.950 3.622 3.205 4.129 . 0 0 "[ . 1 . 2]" 1
1105 1 75 TYR H 1 75 TYR QB . . 3.100 2.216 2.081 2.265 . 0 0 "[ . 1 . 2]" 1
1106 1 75 TYR QB 1 76 ASP H . . 3.590 3.753 3.523 3.935 0.345 17 0 "[ . 1 . 2]" 1
1107 1 76 ASP H 1 76 ASP QB . . 3.070 2.306 2.298 2.390 . 0 0 "[ . 1 . 2]" 1
1108 1 76 ASP QB 1 77 ARG H . . 4.020 3.582 3.548 3.641 . 0 0 "[ . 1 . 2]" 1
1109 1 76 ASP QB 1 79 GLN H . . 4.260 5.397 5.305 5.440 1.180 7 20 [******+**********-**] 1
1110 1 76 ASP QB 1 80 VAL H . . 4.430 4.887 4.800 4.920 0.490 8 0 "[ . 1 . 2]" 1
1111 1 77 ARG HA 1 77 ARG QG . . 3.690 2.250 2.169 2.363 . 0 0 "[ . 1 . 2]" 1
1112 1 77 ARG QG 1 78 GLU HA . . 4.130 5.590 5.497 5.672 1.542 14 20 [********-****+******] 1
1113 1 77 ARG QG 1 78 GLU QB . . 4.620 6.056 6.011 6.123 1.503 18 20 [*********-*******+**] 1
1114 1 80 VAL HA 1 83 ILE QG . . 4.460 4.039 3.997 4.092 . 0 0 "[ . 1 . 2]" 1
1115 1 82 LYS HA 1 85 ASP QB . . 3.540 2.827 2.722 3.079 . 0 0 "[ . 1 . 2]" 1
1116 1 83 ILE H 1 83 ILE QG . . 3.590 2.167 2.095 2.252 . 0 0 "[ . 1 . 2]" 1
1117 1 83 ILE HA 1 83 ILE QG . . 3.660 2.384 2.339 2.415 . 0 0 "[ . 1 . 2]" 1
1118 1 83 ILE QG 1 83 ILE MG . . 3.010 2.255 2.218 2.305 . 0 0 "[ . 1 . 2]" 1
1119 1 83 ILE MG 1 87 PHE QB . . 3.870 5.525 5.380 5.630 1.760 14 20 [************-+******] 1
1120 1 85 ASP H 1 85 ASP QB . . 2.990 2.285 2.237 2.359 . 0 0 "[ . 1 . 2]" 1
1121 1 85 ASP QB 1 86 GLU H . . 3.460 2.474 2.351 2.815 . 0 0 "[ . 1 . 2]" 1
1122 1 87 PHE H 1 87 PHE QB . . 3.310 3.302 3.201 3.402 0.092 13 0 "[ . 1 . 2]" 1
1123 1 87 PHE QB 1 88 LYS H . . 4.000 3.898 3.864 3.908 . 0 0 "[ . 1 . 2]" 1
1124 1 93 GLU H 1 93 GLU QG . . 3.430 2.176 1.941 3.431 0.001 12 0 "[ . 1 . 2]" 1
1125 1 93 GLU HA 1 93 GLU QG . . 3.210 3.054 2.426 3.172 . 0 0 "[ . 1 . 2]" 1
1126 1 93 GLU HA 1 96 LYS QB . . 3.720 2.876 2.724 3.019 . 0 0 "[ . 1 . 2]" 1
1127 1 96 LYS QB 1 97 ASP H . . 3.550 2.551 2.335 2.745 . 0 0 "[ . 1 . 2]" 1
1128 1 103 LYS HA 1 103 LYS QG . . 3.210 2.792 2.067 3.321 0.111 17 0 "[ . 1 . 2]" 1
1129 1 104 GLU H 1 104 GLU QB . . 3.150 2.700 2.211 3.424 0.274 7 0 "[ . 1 . 2]" 1
1130 1 119 LEU H 1 119 LEU QB . . 3.420 2.468 2.137 2.906 . 0 0 "[ . 1 . 2]" 1
1131 2 11 LYS HA 2 12 PRO QD . . 3.110 2.141 1.967 2.162 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 791
_Distance_constraint_stats_list.Viol_total 11437.072
_Distance_constraint_stats_list.Viol_max 4.426
_Distance_constraint_stats_list.Viol_rms 1.1744
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7148
_Distance_constraint_stats_list.Viol_average_violations_only 0.7230
_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 6 ALA 14.415 0.303 13 0 "[ . 1 . 2]"
1 7 VAL 294.863 4.426 13 20 [************+******-]
1 28 LEU 14.415 0.303 13 0 "[ . 1 . 2]"
1 29 SER 17.802 0.311 11 0 "[ . 1 . 2]"
1 32 ALA 3.995 0.225 13 0 "[ . 1 . 2]"
1 34 TYR 7.757 0.396 12 0 "[ . 1 . 2]"
1 38 TRP 7.757 0.396 12 0 "[ . 1 . 2]"
1 39 PHE 147.150 3.423 3 20 [**+************-****]
1 40 ILE 3.995 0.225 13 0 "[ . 1 . 2]"
1 42 LYS 17.802 0.311 11 0 "[ . 1 . 2]"
1 53 VAL 147.150 3.423 3 20 [**+************-****]
1 59 ARG 294.863 4.426 13 20 [************+******-]
1 78 GLU 11.695 0.352 7 0 "[ . 1 . 2]"
1 79 GLN 10.758 0.322 13 0 "[ . 1 . 2]"
1 80 VAL 2.623 0.215 18 0 "[ . 1 . 2]"
1 81 MET 2.885 0.271 6 0 "[ . 1 . 2]"
1 82 LYS 11.695 0.352 7 0 "[ . 1 . 2]"
1 83 ILE 10.758 0.322 13 0 "[ . 1 . 2]"
1 84 ILE 2.623 0.215 18 0 "[ . 1 . 2]"
1 85 ASP 2.885 0.271 6 0 "[ . 1 . 2]"
1 93 GLU 8.746 0.329 15 0 "[ . 1 . 2]"
1 94 GLN 9.808 0.315 15 0 "[ . 1 . 2]"
1 95 TRP 6.767 0.295 14 0 "[ . 1 . 2]"
1 96 LYS 9.011 0.367 13 0 "[ . 1 . 2]"
1 97 ASP 15.703 0.329 15 0 "[ . 1 . 2]"
1 98 GLN 16.084 0.315 15 0 "[ . 1 . 2]"
1 99 THR 17.114 1.237 8 10 "[* -**+*1 * * **2]"
1 100 ARG 9.011 0.367 13 0 "[ . 1 . 2]"
1 101 ARG 6.957 0.317 14 0 "[ . 1 . 2]"
1 102 TYR 6.275 0.242 10 0 "[ . 1 . 2]"
1 103 LYS 10.347 1.237 8 10 "[* -**+*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 7 VAL H 1 59 ARG O . . 2.000 5.792 5.562 6.011 4.011 15 20 [*********-****+*****] 2
2 1 7 VAL N 1 59 ARG O . . 2.700 6.605 6.414 6.778 4.078 8 20 [**-****+************] 2
3 1 7 VAL O 1 59 ARG H . . 1.800 6.002 5.860 6.226 4.426 13 20 [*********-**+*******] 2
4 1 7 VAL O 1 59 ARG N . . 2.700 5.545 5.389 5.785 3.085 13 20 [************+******-] 2
5 1 6 ALA H 1 28 LEU O . . 1.800 1.961 1.793 2.029 0.229 13 0 "[ . 1 . 2]" 2
6 1 6 ALA N 1 28 LEU O . . 2.700 2.902 2.743 3.003 0.303 13 0 "[ . 1 . 2]" 2
7 1 6 ALA O 1 28 LEU H . . 1.800 1.965 1.852 2.024 0.224 14 0 "[ . 1 . 2]" 2
8 1 6 ALA O 1 28 LEU N . . 2.700 2.893 2.751 2.983 0.283 3 0 "[ . 1 . 2]" 2
9 1 29 SER O 1 42 LYS H . . 1.800 2.028 1.979 2.055 0.255 11 0 "[ . 1 . 2]" 2
10 1 29 SER O 1 42 LYS N . . 2.700 2.898 2.741 2.974 0.274 2 0 "[ . 1 . 2]" 2
11 1 29 SER H 1 42 LYS O . . 1.800 2.009 1.920 2.045 0.245 3 0 "[ . 1 . 2]" 2
12 1 29 SER N 1 42 LYS O . . 2.700 2.955 2.810 3.011 0.311 11 0 "[ . 1 . 2]" 2
13 1 39 PHE O 1 53 VAL N . . 2.700 4.753 4.671 5.220 2.520 3 20 [**+************-****] 2
14 1 39 PHE H 1 53 VAL O . . 1.800 4.537 4.306 5.223 3.423 3 20 [**+*************-***] 2
15 1 39 PHE N 1 53 VAL O . . 2.700 5.268 5.091 5.924 3.224 3 20 [**+*-***************] 2
16 1 32 ALA O 1 40 ILE H . . 1.800 1.876 1.794 2.025 0.225 13 0 "[ . 1 . 2]" 2
17 1 32 ALA O 1 40 ILE N . . 2.700 2.824 2.734 2.912 0.212 14 0 "[ . 1 . 2]" 2
18 1 34 TYR H 1 38 TRP O . . 1.800 2.085 2.013 2.196 0.396 12 0 "[ . 1 . 2]" 2
19 1 34 TYR N 1 38 TRP O . . 2.700 2.803 2.740 2.923 0.223 10 0 "[ . 1 . 2]" 2
20 1 78 GLU O 1 82 LYS H . . 1.800 2.067 2.023 2.086 0.286 7 0 "[ . 1 . 2]" 2
21 1 78 GLU O 1 82 LYS N . . 2.700 3.018 2.960 3.052 0.352 7 0 "[ . 1 . 2]" 2
22 1 79 GLN O 1 83 ILE H . . 1.800 2.038 2.019 2.055 0.255 13 0 "[ . 1 . 2]" 2
23 1 79 GLN O 1 83 ILE N . . 2.700 3.000 2.973 3.022 0.322 13 0 "[ . 1 . 2]" 2
24 1 80 VAL O 1 84 ILE H . . 1.800 1.860 1.817 2.007 0.207 18 0 "[ . 1 . 2]" 2
25 1 80 VAL O 1 84 ILE N . . 2.700 2.771 2.740 2.915 0.215 18 0 "[ . 1 . 2]" 2
26 1 81 MET O 1 85 ASP H . . 1.800 1.850 1.795 2.002 0.202 6 0 "[ . 1 . 2]" 2
27 1 81 MET O 1 85 ASP N . . 2.700 2.794 2.743 2.971 0.271 6 0 "[ . 1 . 2]" 2
28 1 93 GLU O 1 97 ASP H . . 1.800 2.005 1.923 2.066 0.266 15 0 "[ . 1 . 2]" 2
29 1 93 GLU O 1 97 ASP N . . 2.700 2.933 2.877 3.029 0.329 15 0 "[ . 1 . 2]" 2
30 1 94 GLN O 1 98 GLN H . . 1.800 2.024 1.992 2.115 0.315 15 0 "[ . 1 . 2]" 2
31 1 94 GLN O 1 98 GLN N . . 2.700 2.967 2.898 2.999 0.299 14 0 "[ . 1 . 2]" 2
32 1 95 TRP O 1 99 THR H . . 1.800 1.960 1.796 2.095 0.295 14 0 "[ . 1 . 2]" 2
33 1 95 TRP O 1 99 THR N . . 2.700 2.879 2.745 2.993 0.293 14 0 "[ . 1 . 2]" 2
34 1 96 LYS O 1 100 ARG H . . 1.800 2.001 1.914 2.167 0.367 13 0 "[ . 1 . 2]" 2
35 1 96 LYS O 1 100 ARG N . . 2.700 2.950 2.869 3.016 0.316 14 0 "[ . 1 . 2]" 2
36 1 97 ASP O 1 101 ARG H . . 1.800 2.010 1.938 2.097 0.297 13 0 "[ . 1 . 2]" 2
37 1 97 ASP O 1 101 ARG N . . 2.700 2.838 2.746 3.017 0.317 14 0 "[ . 1 . 2]" 2
38 1 98 GLN O 1 102 TYR H . . 1.800 1.979 1.832 2.013 0.213 12 0 "[ . 1 . 2]" 2
39 1 98 GLN O 1 102 TYR N . . 2.700 2.835 2.740 2.942 0.242 10 0 "[ . 1 . 2]" 2
40 1 99 THR O 1 103 LYS H . . 1.800 2.317 1.923 3.037 1.237 8 10 "[* -**+*1 * * **2]" 2
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