NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
428288 |
2i59   |
7272 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2i59
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 1225
_Distance_constraint_stats_list.Viol_count 2474
_Distance_constraint_stats_list.Viol_total 8766.463
_Distance_constraint_stats_list.Viol_max 2.118
_Distance_constraint_stats_list.Viol_rms 0.1055
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0179
_Distance_constraint_stats_list.Viol_average_violations_only 0.1772
_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 GLN 17.201 1.521 20 13 "[* ** ** * *-*** *+]"
1 4 SER 2.529 0.257 11 0 "[ . 1 . 2]"
1 5 LEU 10.449 0.409 19 0 "[ . 1 . 2]"
1 6 LYS 11.271 0.409 19 0 "[ . 1 . 2]"
1 7 SER 0.284 0.143 16 0 "[ . 1 . 2]"
1 8 THR 1.322 0.159 6 0 "[ . 1 . 2]"
1 9 ALA 0.079 0.033 10 0 "[ . 1 . 2]"
1 10 LYS 5.076 0.323 8 0 "[ . 1 . 2]"
1 11 TRP 15.703 0.584 11 14 "[***** * *+** *- * *]"
1 12 ALA 10.943 0.552 18 1 "[ . 1 . + 2]"
1 13 ALA 8.680 0.426 16 0 "[ . 1 . 2]"
1 14 SER 11.987 0.576 20 11 "[*** * ***1 * *- +]"
1 15 LEU 1.145 0.387 13 0 "[ . 1 . 2]"
1 16 GLU 1.027 0.143 8 0 "[ . 1 . 2]"
1 17 ASN 4.598 0.149 3 0 "[ . 1 . 2]"
1 18 LEU 15.918 0.576 20 11 "[*** * ***1 * *- +]"
1 19 LEU 0.538 0.075 3 0 "[ . 1 . 2]"
1 20 GLU 1.426 0.141 7 0 "[ . 1 . 2]"
1 21 ASP 0.016 0.016 5 0 "[ . 1 . 2]"
1 22 PRO 0.071 0.035 12 0 "[ . 1 . 2]"
1 23 GLU 7.966 0.455 12 0 "[ . 1 . 2]"
1 24 GLY 0.077 0.077 7 0 "[ . 1 . 2]"
1 25 VAL 12.501 0.455 12 0 "[ . 1 . 2]"
1 26 LYS 3.992 0.197 9 0 "[ . 1 . 2]"
1 27 ARG 30.745 1.521 20 15 "[- ** **** ***** **+]"
1 28 PHE 10.271 0.512 6 1 "[ .+ 1 . 2]"
1 29 ARG 12.017 0.811 1 9 "[+ *** * -* . * *]"
1 30 GLU 17.125 0.775 14 8 "[* *.- * * +* * 2]"
1 31 PHE 0.262 0.098 18 0 "[ . 1 . 2]"
1 32 LEU 47.190 2.118 6 20 [*****+****-*********]
1 33 LYS 1.763 0.212 1 0 "[ . 1 . 2]"
1 34 LYS 1.973 0.284 4 0 "[ . 1 . 2]"
1 35 GLU 1.868 0.199 3 0 "[ . 1 . 2]"
1 36 PHE 2.249 0.165 3 0 "[ . 1 . 2]"
1 37 SER 2.560 0.199 3 0 "[ . 1 . 2]"
1 38 GLU 0.026 0.011 5 0 "[ . 1 . 2]"
1 39 GLU 0.423 0.116 18 0 "[ . 1 . 2]"
1 40 ASN 0.858 0.083 12 0 "[ . 1 . 2]"
1 41 VAL 5.878 0.742 13 5 "[ *. 1-*+ .* 2]"
1 42 LEU 11.477 0.596 8 3 "[ . + 1 *- . 2]"
1 43 PHE 0.722 0.114 19 0 "[ . 1 . 2]"
1 44 TRP 1.127 0.077 9 0 "[ . 1 . 2]"
1 45 LEU 5.149 0.224 14 0 "[ . 1 . 2]"
1 46 ALA 10.738 0.429 16 0 "[ . 1 . 2]"
1 47 CYS 0.084 0.027 15 0 "[ . 1 . 2]"
1 48 GLU 0.252 0.077 9 0 "[ . 1 . 2]"
1 49 ASP 0.146 0.047 1 0 "[ . 1 . 2]"
1 50 PHE 20.872 0.562 12 10 "[-** .* ** +* . * *2]"
1 51 LYS 1.357 0.103 8 0 "[ . 1 . 2]"
1 52 LYS 13.579 0.526 19 7 "[-** . * * . * +2]"
1 53 MET 4.271 0.164 15 0 "[ . 1 . 2]"
1 54 GLN 1.359 0.210 12 0 "[ . 1 . 2]"
1 55 ASP 0.658 0.210 12 0 "[ . 1 . 2]"
1 56 LYS 1.635 0.180 5 0 "[ . 1 . 2]"
1 57 THR 4.341 0.414 10 0 "[ . 1 . 2]"
1 58 GLN 2.662 0.156 15 0 "[ . 1 . 2]"
1 59 MET 11.748 0.562 12 4 "[ .* -1 + . * 2]"
1 60 GLN 5.334 0.233 2 0 "[ . 1 . 2]"
1 61 GLU 0.613 0.119 13 0 "[ . 1 . 2]"
1 62 LYS 1.383 0.113 15 0 "[ . 1 . 2]"
1 63 ALA 5.197 0.232 4 0 "[ . 1 . 2]"
1 64 LYS 3.631 0.254 4 0 "[ . 1 . 2]"
1 65 GLU 1.355 0.254 4 0 "[ . 1 . 2]"
1 66 ILE 24.447 1.360 15 11 "[ *** *** *- + * *]"
1 67 TYR 2.160 0.180 20 0 "[ . 1 . 2]"
1 68 MET 0.499 0.096 20 0 "[ . 1 . 2]"
1 69 THR 0.038 0.032 10 0 "[ . 1 . 2]"
1 70 PHE 0.704 0.116 18 0 "[ . 1 . 2]"
1 71 LEU 1.053 0.278 11 0 "[ . 1 . 2]"
1 72 SER 15.553 1.048 4 10 "[ * +* -*1** ** * 2]"
1 73 SER 0.123 0.041 17 0 "[ . 1 . 2]"
1 74 LYS 20.867 1.195 10 20 [*********+*****-****]
1 75 ALA 13.284 1.048 4 10 "[ * +* -*1** ** * 2]"
1 76 SER 3.348 0.209 19 0 "[ . 1 . 2]"
1 77 SER 24.343 1.195 10 20 [*********+*****-****]
1 78 GLN 3.066 0.331 6 0 "[ . 1 . 2]"
1 79 VAL 5.910 0.331 6 0 "[ . 1 . 2]"
1 80 ASN 2.019 0.177 20 0 "[ . 1 . 2]"
1 81 VAL 4.101 0.312 15 0 "[ . 1 . 2]"
1 82 GLU 1.885 0.312 15 0 "[ . 1 . 2]"
1 83 GLY 0.464 0.105 13 0 "[ . 1 . 2]"
1 84 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ARG 1.890 0.325 19 0 "[ . 1 . 2]"
1 87 LEU 5.526 0.325 19 0 "[ . 1 . 2]"
1 88 ASN 3.444 0.216 5 0 "[ . 1 . 2]"
1 89 GLU 2.378 0.477 5 0 "[ . 1 . 2]"
1 90 LYS 4.347 0.477 5 0 "[ . 1 . 2]"
1 91 ILE 1.455 0.155 2 0 "[ . 1 . 2]"
1 92 LEU 1.568 0.163 2 0 "[ . 1 . 2]"
1 93 GLU 0.423 0.163 2 0 "[ . 1 . 2]"
1 94 GLU 0.012 0.012 7 0 "[ . 1 . 2]"
1 95 PRO 0.600 0.080 15 0 "[ . 1 . 2]"
1 96 HIS 0.691 0.080 15 0 "[ . 1 . 2]"
1 97 PRO 18.425 1.176 5 20 [****+**********-****]
1 98 LEU 0.147 0.048 7 0 "[ . 1 . 2]"
1 99 MET 38.543 1.360 15 20 [********-*****+*****]
1 100 PHE 1.369 0.329 6 0 "[ . 1 . 2]"
1 101 GLN 2.431 0.329 6 0 "[ . 1 . 2]"
1 102 LYS 1.071 0.251 5 0 "[ . 1 . 2]"
1 103 LEU 5.579 0.610 5 3 "[ +- 1 . *2]"
1 104 GLN 3.627 0.200 18 0 "[ . 1 . 2]"
1 105 ASP 0.020 0.020 20 0 "[ . 1 . 2]"
1 106 GLN 1.957 0.368 4 0 "[ . 1 . 2]"
1 107 ILE 15.700 0.641 19 5 "[ . 1 *-. * +*]"
1 108 PHE 0.117 0.067 20 0 "[ . 1 . 2]"
1 109 ASN 0.040 0.026 7 0 "[ . 1 . 2]"
1 110 LEU 8.590 0.567 13 4 "[ . 1 +*. -*]"
1 111 MET 8.424 0.641 19 3 "[ . 1 -. * +2]"
1 112 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 TYR 0.123 0.051 3 0 "[ . 1 . 2]"
1 114 ASP 0.127 0.051 3 0 "[ . 1 . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 TYR 0.121 0.025 7 0 "[ . 1 . 2]"
1 117 SER 0.156 0.062 3 0 "[ . 1 . 2]"
1 118 ARG 10.898 0.770 16 13 "[ **.* ******-+ **2]"
1 119 PHE 40.720 2.118 6 20 [*****+******-*******]
1 120 LEU 10.978 0.706 2 16 "[*+*******1**- ** * *]"
1 121 LYS 15.975 0.770 16 13 "[ **.* *******+ *-2]"
1 122 SER 3.166 0.529 19 1 "[ . 1 . +2]"
1 124 LEU 20.517 1.323 17 15 "[** ******* **-.*+* 2]"
1 125 PHE 13.663 0.706 2 16 "[*+*******1**- ** * *]"
1 126 LEU 23.392 1.247 4 19 "[***+** *-***********]"
1 127 LYS 23.247 1.247 4 19 "[***+** *-***********]"
1 128 HIS 2.032 0.174 2 0 "[ . 1 . 2]"
1 129 LYS 0.367 0.080 17 0 "[ . 1 . 2]"
1 130 ARG 13.724 1.323 17 11 "[ * ***** * * -.*+ 2]"
1 131 THR 0.217 0.180 20 0 "[ . 1 . 2]"
1 132 GLU 0.037 0.037 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 LYS HA 1 6 LYS HG3 2.820 . 3.840 2.847 2.450 3.757 . 0 0 "[ . 1 . 2]" 1
2 1 46 ALA MB 1 50 PHE QD 3.315 . 4.830 4.559 3.759 5.021 0.191 1 0 "[ . 1 . 2]" 1
3 1 43 PHE HA 1 46 ALA MB 3.050 . 4.300 2.562 2.446 2.750 . 0 0 "[ . 1 . 2]" 1
4 1 46 ALA MB 1 66 ILE HB 3.330 . 4.860 3.434 3.146 3.756 . 0 0 "[ . 1 . 2]" 1
5 1 46 ALA MB 1 66 ILE MG 2.855 . 3.910 2.056 1.701 2.229 0.099 10 0 "[ . 1 . 2]" 1
6 1 12 ALA MB 1 13 ALA MB 5.530 4.800 6.260 4.405 4.374 4.455 0.426 16 0 "[ . 1 . 2]" 1
7 1 23 GLU HA 1 26 LYS QB 3.150 . 4.500 2.646 2.109 3.264 . 0 0 "[ . 1 . 2]" 1
8 1 124 LEU HA 1 126 LEU H 3.165 . 4.530 3.137 2.838 3.848 . 0 0 "[ . 1 . 2]" 1
9 1 46 ALA HA 1 49 ASP HB2 3.325 . 4.850 3.663 2.914 4.221 . 0 0 "[ . 1 . 2]" 1
10 1 55 ASP HA 1 56 LYS HA 3.055 . 4.310 4.296 4.190 4.367 0.057 11 0 "[ . 1 . 2]" 1
11 1 39 GLU HA 1 70 PHE HA 3.070 . 4.340 4.109 3.460 4.456 0.116 18 0 "[ . 1 . 2]" 1
12 1 75 ALA H 1 75 ALA MB 2.635 . 3.470 2.786 2.227 3.001 . 0 0 "[ . 1 . 2]" 1
13 1 72 SER HA 1 75 ALA MB 3.240 . 4.680 4.712 4.250 5.301 0.621 18 4 "[ *. - 1* . + 2]" 1
14 1 72 SER HB3 1 75 ALA MB 3.075 . 4.350 2.717 1.798 4.390 0.040 18 0 "[ . 1 . 2]" 1
15 1 81 VAL HB 1 82 GLU H 3.090 . 4.380 3.123 1.799 4.432 0.052 20 0 "[ . 1 . 2]" 1
16 1 82 GLU HA 1 83 GLY H 2.660 . 3.520 2.636 2.135 3.554 0.034 13 0 "[ . 1 . 2]" 1
17 1 126 LEU H 1 127 LYS HA 4.000 . 4.000 5.057 4.411 5.247 1.247 4 19 "[***+** *-***********]" 1
18 1 130 ARG HA 1 130 ARG HG2 2.995 . 4.190 3.212 2.331 4.173 . 0 0 "[ . 1 . 2]" 1
19 1 3 GLN HA 1 4 SER H 2.525 . 3.250 2.836 2.137 3.507 0.257 11 0 "[ . 1 . 2]" 1
20 1 104 GLN HA 1 107 ILE HB 3.295 . 4.790 3.867 3.289 4.298 . 0 0 "[ . 1 . 2]" 1
21 1 104 GLN HA 1 107 ILE MG 3.140 . 4.480 2.025 1.768 2.247 0.032 17 0 "[ . 1 . 2]" 1
22 1 97 PRO QG 1 98 LEU HA 3.310 . 4.820 4.644 4.364 4.868 0.048 7 0 "[ . 1 . 2]" 1
23 1 98 LEU HA 1 98 LEU HG 2.840 . 3.880 3.177 3.109 3.261 . 0 0 "[ . 1 . 2]" 1
24 1 102 LYS HA 1 102 LYS HD2 3.430 . 5.060 4.488 2.924 4.735 . 0 0 "[ . 1 . 2]" 1
25 1 121 LYS HA 1 122 SER HA 3.150 . 4.500 4.524 4.290 4.707 0.207 17 0 "[ . 1 . 2]" 1
26 1 42 LEU HA 1 46 ALA MB 2.945 . 4.090 4.242 4.008 4.519 0.429 16 0 "[ . 1 . 2]" 1
27 1 34 LYS HA 1 34 LYS HE2 3.650 . 5.500 4.884 4.135 5.784 0.284 4 0 "[ . 1 . 2]" 1
28 1 34 LYS HA 1 34 LYS HE3 3.650 . 5.500 4.764 2.752 5.471 . 0 0 "[ . 1 . 2]" 1
29 1 61 GLU H 1 61 GLU HG3 2.940 . 4.080 2.929 1.945 3.951 . 0 0 "[ . 1 . 2]" 1
30 1 30 GLU HA 1 30 GLU HG3 2.925 . 4.050 3.719 3.401 3.918 . 0 0 "[ . 1 . 2]" 1
31 1 30 GLU H 1 30 GLU HG2 2.990 . 4.180 2.534 1.843 4.393 0.213 4 0 "[ . 1 . 2]" 1
32 1 30 GLU HA 1 30 GLU HG2 2.925 . 4.050 3.708 3.042 4.224 0.174 9 0 "[ . 1 . 2]" 1
33 1 60 GLN H 1 60 GLN HG3 2.920 . 4.040 2.327 2.184 2.435 . 0 0 "[ . 1 . 2]" 1
34 1 61 GLU H 1 61 GLU HG2 2.940 . 4.080 2.829 2.141 3.907 . 0 0 "[ . 1 . 2]" 1
35 1 47 CYS H 1 66 ILE MG 3.340 . 4.880 4.533 4.093 4.904 0.024 13 0 "[ . 1 . 2]" 1
36 1 90 LYS HA 1 90 LYS HD2 3.605 . 5.410 4.073 2.798 4.817 . 0 0 "[ . 1 . 2]" 1
37 1 90 LYS HA 1 90 LYS HD3 3.605 . 5.410 4.254 1.888 5.066 . 0 0 "[ . 1 . 2]" 1
38 1 91 ILE H 1 91 ILE HG12 3.315 . 4.830 4.512 4.359 4.582 . 0 0 "[ . 1 . 2]" 1
39 1 91 ILE H 1 91 ILE HG13 3.315 . 4.830 4.517 4.382 4.786 . 0 0 "[ . 1 . 2]" 1
40 1 91 ILE HB 1 91 ILE MD 2.900 . 4.000 2.443 2.376 2.469 . 0 0 "[ . 1 . 2]" 1
41 1 87 LEU HB3 1 91 ILE MD 3.135 . 4.470 4.092 3.165 4.496 0.026 17 0 "[ . 1 . 2]" 1
42 1 91 ILE MD 1 99 MET ME 3.205 . 4.610 2.554 1.913 3.267 . 0 0 "[ . 1 . 2]" 1
43 1 91 ILE MD 1 91 ILE MG 2.760 . 3.720 1.953 1.927 1.985 . 0 0 "[ . 1 . 2]" 1
44 1 89 GLU HG2 1 90 LYS H 3.650 . 5.500 4.738 3.615 5.290 . 0 0 "[ . 1 . 2]" 1
45 1 89 GLU HG3 1 90 LYS H 3.650 . 5.500 4.538 2.106 5.207 . 0 0 "[ . 1 . 2]" 1
46 1 93 GLU HA 1 93 GLU HG2 3.015 . 4.230 2.717 2.477 3.242 . 0 0 "[ . 1 . 2]" 1
47 1 93 GLU HA 1 93 GLU HG3 3.015 . 4.230 3.293 2.815 3.772 . 0 0 "[ . 1 . 2]" 1
48 1 25 VAL HA 1 25 VAL MG2 2.830 . 3.860 2.399 2.362 2.443 . 0 0 "[ . 1 . 2]" 1
49 1 79 VAL MG1 1 107 ILE MD 2.855 . 3.910 2.672 1.823 3.538 . 0 0 "[ . 1 . 2]" 1
50 1 131 THR H 1 131 THR MG 2.975 . 4.150 3.420 2.219 3.833 . 0 0 "[ . 1 . 2]" 1
51 1 19 LEU HB2 1 19 LEU MD1 3.005 . 4.210 2.345 2.320 2.367 . 0 0 "[ . 1 . 2]" 1
52 1 19 LEU HB3 1 19 LEU MD2 2.985 . 4.170 2.391 2.358 2.426 . 0 0 "[ . 1 . 2]" 1
53 1 50 PHE HB2 1 66 ILE MD 3.535 . 5.270 3.356 2.996 3.975 . 0 0 "[ . 1 . 2]" 1
54 1 50 PHE HB3 1 66 ILE MD 3.535 . 5.270 4.175 3.701 5.119 . 0 0 "[ . 1 . 2]" 1
55 1 94 GLU H 1 94 GLU HG2 3.585 . 5.370 3.891 2.384 4.618 . 0 0 "[ . 1 . 2]" 1
56 1 94 GLU H 1 94 GLU HG3 3.585 . 5.370 3.629 2.853 4.847 . 0 0 "[ . 1 . 2]" 1
57 1 79 VAL MG1 1 81 VAL MG2 3.180 . 4.560 2.895 1.876 3.938 . 0 0 "[ . 1 . 2]" 1
58 1 67 TYR QE 1 87 LEU MD1 3.015 . 4.230 3.088 2.177 4.288 0.058 15 0 "[ . 1 . 2]" 1
59 1 79 VAL MG1 1 81 VAL MG1 3.180 . 4.560 2.099 1.790 2.888 0.010 14 0 "[ . 1 . 2]" 1
60 1 79 VAL MG2 1 81 VAL MG1 3.180 . 4.560 2.651 2.020 4.054 . 0 0 "[ . 1 . 2]" 1
61 1 42 LEU H 1 42 LEU MD1 3.395 . 4.990 3.794 3.712 4.183 . 0 0 "[ . 1 . 2]" 1
62 1 30 GLU HA 1 33 LYS HB3 2.835 . 3.870 2.659 1.932 3.895 0.025 15 0 "[ . 1 . 2]" 1
63 1 99 MET ME 1 100 PHE HZ 3.130 . 4.460 3.386 2.610 4.200 . 0 0 "[ . 1 . 2]" 1
64 1 99 MET ME 1 100 PHE QE 3.210 . 4.620 2.932 1.874 3.676 . 0 0 "[ . 1 . 2]" 1
65 1 36 PHE HA 1 36 PHE QD 2.660 . 3.520 2.615 2.220 2.786 . 0 0 "[ . 1 . 2]" 1
66 1 36 PHE HA 1 36 PHE QE 4.550 . 4.550 4.519 4.354 4.578 0.028 10 0 "[ . 1 . 2]" 1
67 1 43 PHE HA 1 43 PHE QD 2.815 . 3.830 2.388 2.196 2.564 . 0 0 "[ . 1 . 2]" 1
68 1 50 PHE HA 1 50 PHE QD 2.915 . 4.030 2.976 2.714 3.204 . 0 0 "[ . 1 . 2]" 1
69 1 119 PHE HA 1 119 PHE QD 2.890 . 3.980 2.855 2.583 3.135 . 0 0 "[ . 1 . 2]" 1
70 1 67 TYR HA 1 67 TYR QD 2.600 . 3.400 2.571 2.155 2.959 . 0 0 "[ . 1 . 2]" 1
71 1 11 TRP HA 1 11 TRP HD1 2.740 . 3.680 2.491 2.364 2.645 . 0 0 "[ . 1 . 2]" 1
72 1 11 TRP HD1 1 18 LEU HA 2.930 . 4.060 1.976 1.756 2.322 0.044 4 0 "[ . 1 . 2]" 1
73 1 44 TRP HD1 1 107 ILE HB 3.385 . 4.970 4.749 4.484 4.991 0.021 15 0 "[ . 1 . 2]" 1
74 1 44 TRP HD1 1 111 MET ME 3.100 . 4.400 3.028 2.428 3.516 . 0 0 "[ . 1 . 2]" 1
75 1 113 TYR HA 1 113 TYR QD 2.580 . 3.360 2.727 2.483 2.967 . 0 0 "[ . 1 . 2]" 1
76 1 67 TYR QD 1 87 LEU HB3 2.985 . 4.170 4.037 3.485 4.253 0.083 2 0 "[ . 1 . 2]" 1
77 1 67 TYR QD 1 71 LEU HB2 2.800 . 3.800 2.652 1.785 3.257 0.015 18 0 "[ . 1 . 2]" 1
78 1 125 PHE HA 1 125 PHE QD 2.895 . 3.990 2.727 2.073 3.706 . 0 0 "[ . 1 . 2]" 1
79 1 125 PHE H 1 125 PHE QD 2.915 . 4.030 2.741 1.744 3.234 0.056 13 0 "[ . 1 . 2]" 1
80 1 125 PHE QD 1 126 LEU MD1 3.330 . 4.860 4.470 2.963 4.945 0.085 17 0 "[ . 1 . 2]" 1
81 1 125 PHE QD 1 126 LEU MD2 3.330 . 4.860 3.435 2.198 4.125 . 0 0 "[ . 1 . 2]" 1
82 1 108 PHE HA 1 108 PHE QD 2.965 . 4.130 2.837 2.704 2.989 . 0 0 "[ . 1 . 2]" 1
83 1 50 PHE QD 1 62 LYS HB2 2.895 . 3.990 3.390 2.776 4.012 0.022 11 0 "[ . 1 . 2]" 1
84 1 50 PHE QE 1 63 ALA MB 2.885 . 3.970 2.882 2.695 3.162 . 0 0 "[ . 1 . 2]" 1
85 1 50 PHE QD 1 66 ILE MD 2.975 . 4.150 2.819 2.254 3.441 . 0 0 "[ . 1 . 2]" 1
86 1 50 PHE QD 1 59 MET QG 2.890 . 3.450 3.517 3.421 3.592 0.142 1 0 "[ . 1 . 2]" 1
87 1 50 PHE QD 1 63 ALA MB 6.220 4.800 7.640 4.716 4.568 4.799 0.232 4 0 "[ . 1 . 2]" 1
88 1 50 PHE QD 1 51 LYS HA 3.155 . 4.510 3.393 2.864 4.073 . 0 0 "[ . 1 . 2]" 1
89 1 28 PHE HB2 1 119 PHE QD 2.950 . 4.100 4.021 3.590 4.166 0.066 17 0 "[ . 1 . 2]" 1
90 1 28 PHE QD 1 32 LEU HG 2.820 . 3.840 3.738 3.377 4.026 0.186 13 0 "[ . 1 . 2]" 1
91 1 28 PHE HA 1 28 PHE QD 2.795 . 3.790 2.431 2.061 2.669 . 0 0 "[ . 1 . 2]" 1
92 1 28 PHE QE 1 32 LEU HG 2.840 . 3.880 3.627 3.142 3.900 0.020 19 0 "[ . 1 . 2]" 1
93 1 28 PHE HA 1 28 PHE QE 6.000 . 6.000 4.576 4.347 4.745 . 0 0 "[ . 1 . 2]" 1
94 1 67 TYR QE 1 87 LEU HB3 2.995 . 4.190 3.409 2.756 4.043 . 0 0 "[ . 1 . 2]" 1
95 1 67 TYR QE 1 87 LEU HB2 2.895 . 3.990 2.425 1.775 3.253 0.025 20 0 "[ . 1 . 2]" 1
96 1 67 TYR HA 1 67 TYR QE 4.550 . 4.550 4.558 4.390 4.639 0.089 14 0 "[ . 1 . 2]" 1
97 1 67 TYR QE 1 71 LEU HB3 3.140 . 4.480 3.416 2.941 4.022 . 0 0 "[ . 1 . 2]" 1
98 1 67 TYR QE 1 71 LEU HB2 2.885 . 3.970 3.589 3.194 3.996 0.026 5 0 "[ . 1 . 2]" 1
99 1 113 TYR HA 1 113 TYR QE 3.505 . 5.210 4.706 4.599 4.805 . 0 0 "[ . 1 . 2]" 1
100 1 116 TYR QE 1 120 LEU MD2 3.315 . 4.830 3.479 2.715 4.736 . 0 0 "[ . 1 . 2]" 1
101 1 10 LYS QB 1 11 TRP HZ2 3.650 . 5.500 4.817 4.518 5.056 . 0 0 "[ . 1 . 2]" 1
102 1 119 PHE HA 1 119 PHE QE 6.000 . 6.000 4.647 4.547 4.779 . 0 0 "[ . 1 . 2]" 1
103 1 50 PHE QD 1 59 MET HA 2.920 . 4.040 4.213 3.523 4.602 0.562 12 4 "[ .* -1 + . * 2]" 1
104 1 50 PHE QD 1 62 LYS HB3 2.895 . 3.990 2.529 2.020 3.103 . 0 0 "[ . 1 . 2]" 1
105 1 50 PHE HA 1 50 PHE QE 4.550 . 4.550 4.697 4.549 4.827 0.277 16 0 "[ . 1 . 2]" 1
106 1 63 ALA MB 1 66 ILE MD 3.650 . 5.500 4.030 3.690 4.567 . 0 0 "[ . 1 . 2]" 1
107 1 11 TRP HE3 1 125 PHE QE 5.000 . 5.000 4.244 1.811 5.112 0.112 20 0 "[ . 1 . 2]" 1
108 1 67 TYR QD 1 71 LEU HB3 2.930 . 4.060 3.495 2.247 4.083 0.023 13 0 "[ . 1 . 2]" 1
109 1 20 GLU HA 1 21 ASP HA 3.285 . 4.770 4.699 4.611 4.767 . 0 0 "[ . 1 . 2]" 1
110 1 76 SER HA 1 77 SER HA 3.155 . 4.510 4.566 4.387 4.719 0.209 19 0 "[ . 1 . 2]" 1
111 1 12 ALA HA 1 14 SER HA 3.575 . 5.350 5.319 5.079 5.449 0.099 8 0 "[ . 1 . 2]" 1
112 1 13 ALA HA 1 14 SER HA 3.650 . 5.500 4.610 4.570 4.644 . 0 0 "[ . 1 . 2]" 1
113 1 62 LYS HA 1 65 GLU HB2 3.150 . 4.500 2.509 1.996 3.033 . 0 0 "[ . 1 . 2]" 1
114 1 62 LYS HA 1 65 GLU HB3 3.150 . 4.500 2.417 1.747 4.002 0.053 13 0 "[ . 1 . 2]" 1
115 1 102 LYS HA 1 105 ASP HB2 3.195 . 4.590 3.488 2.221 4.290 . 0 0 "[ . 1 . 2]" 1
116 1 102 LYS HA 1 105 ASP HB3 3.195 . 4.590 3.076 2.010 4.338 . 0 0 "[ . 1 . 2]" 1
117 1 107 ILE HG13 1 111 MET HA 3.620 . 5.440 4.413 4.114 4.735 . 0 0 "[ . 1 . 2]" 1
118 1 103 LEU HA 1 103 LEU MD1 2.800 . 3.800 2.002 1.928 2.703 . 0 0 "[ . 1 . 2]" 1
119 1 130 ARG HA 1 130 ARG HG3 2.995 . 4.190 3.022 2.408 3.846 . 0 0 "[ . 1 . 2]" 1
120 1 3 GLN HA 1 4 SER HA 3.150 . 4.500 4.427 4.287 4.557 0.057 11 0 "[ . 1 . 2]" 1
121 1 12 ALA HA 1 120 LEU MD2 2.860 . 3.920 2.820 1.940 3.940 0.020 7 0 "[ . 1 . 2]" 1
122 1 107 ILE HA 1 110 LEU HB3 3.075 . 4.350 2.592 2.048 4.379 0.029 13 0 "[ . 1 . 2]" 1
123 1 107 ILE HA 1 110 LEU HB2 3.075 . 4.350 3.443 2.706 4.917 0.567 13 2 "[ . 1 + . -]" 1
124 1 84 GLN HA 1 84 GLN HG2 3.010 . 4.220 2.925 2.529 3.821 . 0 0 "[ . 1 . 2]" 1
125 1 73 SER HA 1 74 LYS HA 3.215 . 4.630 4.531 4.345 4.636 0.006 10 0 "[ . 1 . 2]" 1
126 1 116 TYR HA 1 116 TYR QD 2.995 . 4.190 2.688 1.831 3.063 . 0 0 "[ . 1 . 2]" 1
127 1 65 GLU HA 1 66 ILE HA 3.350 . 4.900 4.703 4.637 4.744 . 0 0 "[ . 1 . 2]" 1
128 1 53 MET HA 1 53 MET HG3 3.010 . 4.220 3.713 3.664 3.762 . 0 0 "[ . 1 . 2]" 1
129 1 53 MET HA 1 53 MET HG2 3.010 . 4.220 3.973 3.779 4.258 0.038 5 0 "[ . 1 . 2]" 1
130 1 52 LYS HA 1 53 MET HA 3.080 . 4.360 4.508 4.461 4.524 0.164 15 0 "[ . 1 . 2]" 1
131 1 7 SER HA 1 8 THR HA 3.465 . 5.130 4.749 4.726 4.803 . 0 0 "[ . 1 . 2]" 1
132 1 56 LYS HA 1 56 LYS HD2 3.200 . 4.600 3.346 1.951 4.664 0.064 10 0 "[ . 1 . 2]" 1
133 1 56 LYS HA 1 56 LYS HD3 3.200 . 4.600 3.652 2.951 4.661 0.061 16 0 "[ . 1 . 2]" 1
134 1 60 GLN HA 1 63 ALA MB 2.895 . 3.990 2.706 2.277 3.087 . 0 0 "[ . 1 . 2]" 1
135 1 71 LEU HB2 1 72 SER HA 3.560 . 5.320 4.102 3.861 4.693 . 0 0 "[ . 1 . 2]" 1
136 1 68 MET HA 1 72 SER HB3 2.920 . 4.040 3.635 2.472 4.043 0.003 12 0 "[ . 1 . 2]" 1
137 1 69 THR HA 1 69 THR MG 2.745 . 3.690 2.350 2.272 2.401 . 0 0 "[ . 1 . 2]" 1
138 1 45 LEU HA 1 45 LEU MD1 3.005 . 4.210 3.234 1.906 3.828 . 0 0 "[ . 1 . 2]" 1
139 1 92 LEU HA 1 99 MET ME 3.475 . 5.150 3.036 2.205 4.341 . 0 0 "[ . 1 . 2]" 1
140 1 68 MET HA 1 72 SER HB2 2.920 . 4.040 2.832 1.746 4.136 0.096 20 0 "[ . 1 . 2]" 1
141 1 130 ARG HA 1 130 ARG HD2 3.345 . 4.890 4.148 1.908 5.118 0.228 5 0 "[ . 1 . 2]" 1
142 1 130 ARG HA 1 130 ARG HD3 3.345 . 4.890 4.240 2.877 4.788 . 0 0 "[ . 1 . 2]" 1
143 1 113 TYR HB3 1 114 ASP HB2 3.650 . 5.500 4.042 3.736 4.189 . 0 0 "[ . 1 . 2]" 1
144 1 113 TYR HB3 1 114 ASP HB3 3.650 . 5.500 4.361 4.141 4.614 . 0 0 "[ . 1 . 2]" 1
145 1 106 GLN HA 1 106 GLN HG3 2.980 . 4.160 3.283 2.454 3.716 . 0 0 "[ . 1 . 2]" 1
146 1 46 ALA HA 1 49 ASP HB3 3.325 . 4.850 3.053 2.372 4.680 . 0 0 "[ . 1 . 2]" 1
147 1 106 GLN HA 1 106 GLN HG2 2.980 . 4.160 2.631 2.433 3.315 . 0 0 "[ . 1 . 2]" 1
148 1 27 ARG HA 1 30 GLU HG3 2.930 . 4.060 3.112 2.382 3.858 . 0 0 "[ . 1 . 2]" 1
149 1 84 GLN HA 1 84 GLN HG3 3.010 . 4.220 3.124 2.530 3.780 . 0 0 "[ . 1 . 2]" 1
150 1 54 GLN HA 1 54 GLN HG2 3.025 . 4.250 3.312 2.474 4.212 . 0 0 "[ . 1 . 2]" 1
151 1 54 GLN HA 1 54 GLN HG3 3.025 . 4.250 3.345 2.532 3.853 . 0 0 "[ . 1 . 2]" 1
152 1 27 ARG HA 1 30 GLU HG2 2.930 . 4.060 2.232 1.779 3.417 0.021 5 0 "[ . 1 . 2]" 1
153 1 22 PRO HA 1 25 VAL HB 2.840 . 3.880 3.108 2.528 3.699 . 0 0 "[ . 1 . 2]" 1
154 1 97 PRO QG 1 98 LEU HG 2.935 . 4.070 2.733 2.301 3.220 . 0 0 "[ . 1 . 2]" 1
155 1 107 ILE HG12 1 107 ILE MG 2.855 . 3.910 2.327 2.257 2.381 . 0 0 "[ . 1 . 2]" 1
156 1 87 LEU HA 1 87 LEU HG 2.955 . 4.110 2.894 2.470 3.766 . 0 0 "[ . 1 . 2]" 1
157 1 30 GLU HA 1 33 LYS HB2 2.835 . 3.870 2.571 2.089 3.104 . 0 0 "[ . 1 . 2]" 1
158 1 41 VAL HA 1 111 MET ME 3.070 . 4.340 3.365 2.295 4.399 0.059 6 0 "[ . 1 . 2]" 1
159 1 108 PHE HA 1 111 MET ME 2.810 . 3.820 2.555 1.971 3.814 . 0 0 "[ . 1 . 2]" 1
160 1 107 ILE MG 1 111 MET ME 2.620 . 3.440 2.650 2.208 3.471 0.031 19 0 "[ . 1 . 2]" 1
161 1 15 LEU MD1 1 111 MET ME 4.500 . 4.500 3.918 2.802 4.887 0.387 13 0 "[ . 1 . 2]" 1
162 1 19 LEU MD1 1 111 MET ME 3.210 . 4.620 2.976 1.948 4.102 . 0 0 "[ . 1 . 2]" 1
163 1 124 LEU HA 1 124 LEU HG 3.000 . 4.200 3.293 2.469 3.757 . 0 0 "[ . 1 . 2]" 1
164 1 102 LYS HA 1 102 LYS HD3 3.430 . 5.060 4.242 1.971 4.931 . 0 0 "[ . 1 . 2]" 1
165 1 107 ILE HG12 1 111 MET ME 3.240 . 4.480 3.782 2.997 4.571 0.091 14 0 "[ . 1 . 2]" 1
166 1 107 ILE HG13 1 111 MET ME 3.240 . 4.480 2.932 2.259 3.624 . 0 0 "[ . 1 . 2]" 1
167 1 63 ALA MB 1 100 PHE HZ 2.885 . 3.970 3.272 2.228 4.007 0.037 7 0 "[ . 1 . 2]" 1
168 1 63 ALA MB 1 100 PHE QE 3.020 . 4.240 2.146 1.772 3.732 0.028 13 0 "[ . 1 . 2]" 1
169 1 127 LYS HA 1 127 LYS HD2 3.375 . 4.950 4.613 4.305 4.848 . 0 0 "[ . 1 . 2]" 1
170 1 127 LYS HA 1 127 LYS HD3 3.375 . 4.950 4.481 4.246 4.745 . 0 0 "[ . 1 . 2]" 1
171 1 63 ALA MB 1 99 MET ME 2.595 . 3.390 2.861 1.903 3.451 0.061 8 0 "[ . 1 . 2]" 1
172 1 95 PRO HA 1 99 MET ME 2.845 . 3.890 2.945 1.973 3.736 . 0 0 "[ . 1 . 2]" 1
173 1 99 MET HA 1 99 MET ME 4.500 . 4.500 4.323 2.889 5.264 0.764 7 5 "[-* . + 1 *. * 2]" 1
174 1 66 ILE MD 1 99 MET ME 4.500 . 4.500 4.967 4.342 5.860 1.360 15 10 "[ *** *-1 ** + * *]" 1
175 1 12 ALA MB 1 125 PHE HZ 2.870 . 3.940 3.076 1.714 4.492 0.552 18 1 "[ . 1 . + 2]" 1
176 1 6 LYS HA 1 6 LYS HG2 2.820 . 3.840 3.131 2.489 3.786 . 0 0 "[ . 1 . 2]" 1
177 1 46 ALA MB 1 66 ILE MD 4.300 . 4.300 3.172 2.255 3.647 . 0 0 "[ . 1 . 2]" 1
178 1 57 THR HA 1 57 THR MG 2.605 . 3.410 2.349 2.276 2.430 . 0 0 "[ . 1 . 2]" 1
179 1 131 THR HA 1 131 THR MG 2.630 . 3.460 2.332 2.222 2.387 . 0 0 "[ . 1 . 2]" 1
180 1 45 LEU HA 1 45 LEU MD2 3.005 . 4.210 2.176 1.918 2.721 . 0 0 "[ . 1 . 2]" 1
181 1 75 ALA MB 1 78 GLN HA 2.840 . 3.880 3.677 2.347 4.003 0.123 5 0 "[ . 1 . 2]" 1
182 1 72 SER HB2 1 75 ALA MB 3.075 . 4.350 2.687 1.742 3.656 0.058 7 0 "[ . 1 . 2]" 1
183 1 103 LEU HA 1 103 LEU MD2 2.800 . 3.800 2.877 2.497 3.789 . 0 0 "[ . 1 . 2]" 1
184 1 32 LEU HG 1 41 VAL HA 4.930 3.800 6.060 6.312 5.980 6.802 0.742 13 5 "[ *. 1-*+ .* 2]" 1
185 1 87 LEU HB3 1 87 LEU MD2 2.825 . 3.850 2.510 2.188 3.213 . 0 0 "[ . 1 . 2]" 1
186 1 91 ILE HA 1 91 ILE MG 2.680 . 3.560 3.219 3.208 3.227 . 0 0 "[ . 1 . 2]" 1
187 1 91 ILE MG 1 99 MET ME 2.820 . 3.840 2.686 1.920 3.775 . 0 0 "[ . 1 . 2]" 1
188 1 91 ILE HG12 1 91 ILE MG 2.995 . 4.190 2.410 2.375 2.433 . 0 0 "[ . 1 . 2]" 1
189 1 91 ILE HG13 1 91 ILE MG 2.995 . 4.190 3.213 3.207 3.224 . 0 0 "[ . 1 . 2]" 1
190 1 87 LEU HB3 1 87 LEU MD1 2.825 . 3.850 2.933 2.372 3.224 . 0 0 "[ . 1 . 2]" 1
191 1 91 ILE HA 1 91 ILE MD 3.035 . 4.270 3.802 3.759 3.845 . 0 0 "[ . 1 . 2]" 1
192 1 25 VAL HA 1 25 VAL MG1 2.830 . 3.860 2.396 2.377 2.418 . 0 0 "[ . 1 . 2]" 1
193 1 81 VAL HA 1 107 ILE MD 3.545 . 5.290 3.923 2.824 5.231 . 0 0 "[ . 1 . 2]" 1
194 1 107 ILE MD 1 111 MET HA 3.650 . 5.500 4.220 3.728 4.844 . 0 0 "[ . 1 . 2]" 1
195 1 107 ILE HA 1 107 ILE MD 2.680 . 3.560 1.927 1.828 2.064 . 0 0 "[ . 1 . 2]" 1
196 1 107 ILE HB 1 107 ILE MD 2.950 . 4.100 2.422 2.366 2.487 . 0 0 "[ . 1 . 2]" 1
197 1 79 VAL MG2 1 107 ILE MD 2.855 . 3.910 2.411 1.797 4.009 0.099 7 0 "[ . 1 . 2]" 1
198 1 81 VAL HA 1 81 VAL MG2 2.815 . 3.830 3.223 3.217 3.229 . 0 0 "[ . 1 . 2]" 1
199 1 81 VAL HA 1 81 VAL MG1 2.815 . 3.830 2.323 2.263 2.396 . 0 0 "[ . 1 . 2]" 1
200 1 79 VAL MG2 1 81 VAL MG2 3.180 . 4.560 3.935 2.936 4.594 0.034 13 0 "[ . 1 . 2]" 1
201 1 32 LEU HA 1 32 LEU MD2 3.000 . 4.200 2.016 1.876 3.619 . 0 0 "[ . 1 . 2]" 1
202 1 8 THR MG 1 125 PHE QE 5.000 . 5.000 2.901 1.947 3.639 . 0 0 "[ . 1 . 2]" 1
203 1 8 THR MG 1 125 PHE HZ 5.000 . 5.000 4.173 3.201 4.884 . 0 0 "[ . 1 . 2]" 1
204 1 8 THR MG 1 11 TRP HH2 5.500 . 5.500 4.119 3.575 4.495 . 0 0 "[ . 1 . 2]" 1
205 1 8 THR MG 1 11 TRP HZ3 4.500 . 4.500 2.350 2.040 2.755 . 0 0 "[ . 1 . 2]" 1
206 1 7 SER HA 1 8 THR MG 5.200 . 5.200 5.097 4.811 5.343 0.143 16 0 "[ . 1 . 2]" 1
207 1 63 ALA HA 1 66 ILE MD 3.035 . 4.270 2.908 2.587 3.475 . 0 0 "[ . 1 . 2]" 1
208 1 47 CYS HA 1 66 ILE MD 3.080 . 4.360 3.313 2.912 3.720 . 0 0 "[ . 1 . 2]" 1
209 1 66 ILE HB 1 66 ILE MD 2.835 . 3.870 2.460 2.440 2.481 . 0 0 "[ . 1 . 2]" 1
210 1 19 LEU HB2 1 19 LEU MD2 3.005 . 4.210 3.215 3.209 3.219 . 0 0 "[ . 1 . 2]" 1
211 1 18 LEU MD1 1 28 PHE QE 2.950 . 4.100 3.896 3.090 4.226 0.126 8 0 "[ . 1 . 2]" 1
212 1 12 ALA MB 1 120 LEU MD2 2.825 . 3.850 2.192 1.866 2.889 . 0 0 "[ . 1 . 2]" 1
213 1 43 PHE QD 1 66 ILE MG 2.870 . 3.940 3.899 3.475 4.054 0.114 19 0 "[ . 1 . 2]" 1
214 1 66 ILE MD 1 66 ILE MG 2.720 . 3.640 1.922 1.903 1.945 . 0 0 "[ . 1 . 2]" 1
215 1 32 LEU HA 1 32 LEU MD1 3.000 . 4.200 3.761 3.099 3.833 . 0 0 "[ . 1 . 2]" 1
216 1 18 LEU MD2 1 28 PHE QE 2.950 . 4.100 3.241 2.931 3.782 . 0 0 "[ . 1 . 2]" 1
217 1 116 TYR QE 1 120 LEU MD1 3.315 . 4.830 2.925 2.164 4.265 . 0 0 "[ . 1 . 2]" 1
218 1 12 ALA HA 1 120 LEU MD1 2.860 . 3.920 3.555 2.702 3.972 0.052 1 0 "[ . 1 . 2]" 1
219 1 12 ALA MB 1 120 LEU MD1 2.825 . 3.850 3.172 2.615 3.793 . 0 0 "[ . 1 . 2]" 1
220 1 19 LEU HB3 1 19 LEU MD1 2.985 . 4.170 2.408 2.371 2.439 . 0 0 "[ . 1 . 2]" 1
221 1 124 LEU HA 1 124 LEU MD1 4.500 . 4.500 3.025 1.920 3.952 . 0 0 "[ . 1 . 2]" 1
222 1 124 LEU HA 1 124 LEU MD2 4.500 . 4.500 2.870 2.005 3.943 . 0 0 "[ . 1 . 2]" 1
223 1 66 ILE MD 1 100 PHE QE 3.125 . 4.450 2.894 2.609 3.216 . 0 0 "[ . 1 . 2]" 1
224 1 46 ALA MB 1 66 ILE HG12 3.205 . 4.610 4.837 4.077 5.028 0.418 7 0 "[ . 1 . 2]" 1
225 1 50 PHE QE 1 66 ILE MG 3.120 . 4.440 4.371 3.759 4.977 0.537 10 1 "[ . + . 2]" 1
226 1 79 VAL HB 1 107 ILE MD 3.095 . 4.390 4.045 3.132 4.498 0.108 12 0 "[ . 1 . 2]" 1
227 1 44 TRP HD1 1 107 ILE MG 3.145 . 4.490 1.957 1.785 2.180 0.015 17 0 "[ . 1 . 2]" 1
228 1 43 PHE QD 1 107 ILE MG 2.970 . 4.140 2.398 1.939 3.026 . 0 0 "[ . 1 . 2]" 1
229 1 43 PHE QD 1 107 ILE HB 3.180 . 4.560 2.949 2.439 3.497 . 0 0 "[ . 1 . 2]" 1
230 1 43 PHE QD 1 107 ILE MD 3.220 . 4.640 3.424 2.353 4.115 . 0 0 "[ . 1 . 2]" 1
231 1 19 LEU MD1 1 44 TRP HH2 3.185 . 4.570 3.326 2.925 4.135 . 0 0 "[ . 1 . 2]" 1
232 1 19 LEU MD2 1 44 TRP HH2 3.185 . 4.570 4.350 3.778 4.627 0.057 18 0 "[ . 1 . 2]" 1
233 1 87 LEU HA 1 87 LEU MD2 2.950 . 4.100 3.389 1.994 3.810 . 0 0 "[ . 1 . 2]" 1
234 1 87 LEU HA 1 87 LEU MD1 2.950 . 4.100 2.864 1.970 3.900 . 0 0 "[ . 1 . 2]" 1
235 1 67 TYR QE 1 87 LEU MD2 3.015 . 4.230 3.315 2.399 4.245 0.015 11 0 "[ . 1 . 2]" 1
236 1 19 LEU MD2 1 111 MET ME 3.210 . 4.620 3.077 2.381 4.025 . 0 0 "[ . 1 . 2]" 1
237 1 15 LEU MD2 1 111 MET ME 3.255 . 4.710 3.538 1.797 4.747 0.037 9 0 "[ . 1 . 2]" 1
238 1 107 ILE HB 1 111 MET ME 5.000 . 5.000 4.929 4.390 5.641 0.641 19 3 "[ . 1 -. * +2]" 1
239 1 43 PHE QD 1 71 LEU MD1 3.245 . 4.690 3.553 2.513 4.461 . 0 0 "[ . 1 . 2]" 1
240 1 43 PHE QD 1 71 LEU MD2 3.245 . 4.690 3.889 2.654 4.698 0.008 8 0 "[ . 1 . 2]" 1
241 1 67 TYR QE 1 72 SER HA 3.200 . 4.600 3.115 2.754 3.503 . 0 0 "[ . 1 . 2]" 1
242 1 51 LYS H 1 51 LYS HG2 3.230 . 4.660 4.308 3.509 4.485 . 0 0 "[ . 1 . 2]" 1
243 1 51 LYS H 1 51 LYS HG3 3.230 . 4.660 4.294 1.950 4.679 0.019 8 0 "[ . 1 . 2]" 1
244 1 52 LYS H 1 52 LYS HG2 3.105 . 4.410 3.586 2.164 4.426 0.016 7 0 "[ . 1 . 2]" 1
245 1 52 LYS H 1 52 LYS HG3 3.105 . 4.410 3.468 2.248 4.530 0.120 15 0 "[ . 1 . 2]" 1
246 1 58 GLN H 1 58 GLN HG3 3.150 . 4.500 2.727 2.041 3.755 . 0 0 "[ . 1 . 2]" 1
247 1 58 GLN H 1 58 GLN HG2 3.150 . 4.500 3.081 2.101 3.828 . 0 0 "[ . 1 . 2]" 1
248 1 71 LEU MD2 1 72 SER H 3.495 . 5.190 4.152 3.549 4.834 . 0 0 "[ . 1 . 2]" 1
249 1 71 LEU MD1 1 72 SER H 3.495 . 5.190 4.080 3.617 5.288 0.098 20 0 "[ . 1 . 2]" 1
250 1 89 GLU H 1 89 GLU HG2 3.555 . 5.310 3.596 2.220 4.566 . 0 0 "[ . 1 . 2]" 1
251 1 89 GLU H 1 89 GLU HG3 3.555 . 5.310 2.946 1.858 4.488 . 0 0 "[ . 1 . 2]" 1
252 1 98 LEU H 1 98 LEU HG 2.825 . 3.850 2.613 2.112 3.216 . 0 0 "[ . 1 . 2]" 1
253 1 103 LEU HB3 1 104 GLN H 3.090 . 4.380 3.630 3.179 3.855 . 0 0 "[ . 1 . 2]" 1
254 1 104 GLN H 1 104 GLN HB3 2.820 . 3.840 2.608 2.334 3.623 . 0 0 "[ . 1 . 2]" 1
255 1 120 LEU H 1 120 LEU HG 2.825 . 3.850 2.419 2.045 3.976 0.126 13 0 "[ . 1 . 2]" 1
256 1 120 LEU H 1 120 LEU MD1 3.110 . 4.420 3.656 2.291 3.889 . 0 0 "[ . 1 . 2]" 1
257 1 10 LYS H 1 10 LYS QB 2.980 . 3.600 2.417 2.274 2.526 . 0 0 "[ . 1 . 2]" 1
258 1 18 LEU HB3 1 19 LEU H 3.110 . 4.420 2.614 2.395 4.164 . 0 0 "[ . 1 . 2]" 1
259 1 29 ARG H 1 29 ARG HD2 3.485 . 5.170 5.468 4.879 5.981 0.811 1 9 "[+ *** * -* . * *]" 1
260 1 29 ARG H 1 29 ARG HD3 3.485 . 5.170 4.874 4.736 5.081 . 0 0 "[ . 1 . 2]" 1
261 1 45 LEU H 1 45 LEU HG 2.870 . 3.940 2.888 2.320 3.979 0.039 20 0 "[ . 1 . 2]" 1
262 1 45 LEU H 1 45 LEU MD2 3.070 . 4.340 2.770 2.035 3.143 . 0 0 "[ . 1 . 2]" 1
263 1 45 LEU H 1 45 LEU MD1 3.070 . 4.340 3.800 3.617 3.932 . 0 0 "[ . 1 . 2]" 1
264 1 44 TRP HE1 1 108 PHE QD 2.940 . 4.080 2.318 1.789 3.423 0.011 11 0 "[ . 1 . 2]" 1
265 1 44 TRP HE1 1 108 PHE HA 3.085 . 4.370 3.935 3.445 4.437 0.067 20 0 "[ . 1 . 2]" 1
266 1 44 TRP HE1 1 108 PHE HB2 3.265 . 4.730 2.518 1.863 3.039 . 0 0 "[ . 1 . 2]" 1
267 1 44 TRP HE1 1 108 PHE HB3 3.265 . 4.730 4.185 3.546 4.738 0.008 3 0 "[ . 1 . 2]" 1
268 1 55 ASP HA 1 56 LYS H 2.640 . 3.480 2.475 2.165 2.694 . 0 0 "[ . 1 . 2]" 1
269 1 118 ARG H 1 119 PHE H 2.885 . 3.970 2.572 2.288 2.878 . 0 0 "[ . 1 . 2]" 1
270 1 119 PHE H 1 120 LEU H 2.840 . 3.880 2.700 2.442 2.859 . 0 0 "[ . 1 . 2]" 1
271 1 119 PHE H 1 119 PHE QD 3.060 . 4.320 4.184 4.107 4.216 . 0 0 "[ . 1 . 2]" 1
272 1 118 ARG HB3 1 119 PHE H 3.440 . 5.080 3.255 2.347 3.880 . 0 0 "[ . 1 . 2]" 1
273 1 118 ARG HB2 1 119 PHE H 3.440 . 5.080 3.017 2.071 4.214 . 0 0 "[ . 1 . 2]" 1
274 1 82 GLU H 1 83 GLY H 3.160 . 4.520 3.871 1.828 4.606 0.086 5 0 "[ . 1 . 2]" 1
275 1 81 VAL H 1 82 GLU H 3.050 . 4.300 4.130 2.174 4.502 0.202 3 0 "[ . 1 . 2]" 1
276 1 81 VAL HA 1 82 GLU H 2.450 . 3.100 2.371 2.085 3.412 0.312 15 0 "[ . 1 . 2]" 1
277 1 81 VAL MG1 1 82 GLU H 3.295 . 4.790 3.841 3.433 4.350 . 0 0 "[ . 1 . 2]" 1
278 1 81 VAL MG2 1 82 GLU H 3.295 . 4.790 3.683 2.073 4.251 . 0 0 "[ . 1 . 2]" 1
279 1 38 GLU H 1 39 GLU H 2.980 . 4.160 2.532 2.361 2.759 . 0 0 "[ . 1 . 2]" 1
280 1 37 SER H 1 38 GLU H 2.840 . 3.880 2.067 1.789 2.560 0.011 5 0 "[ . 1 . 2]" 1
281 1 38 GLU H 1 38 GLU HB3 2.835 . 3.870 2.833 2.447 3.611 . 0 0 "[ . 1 . 2]" 1
282 1 38 GLU H 1 38 GLU HB2 2.835 . 3.870 3.004 2.373 3.649 . 0 0 "[ . 1 . 2]" 1
283 1 15 LEU H 1 116 TYR QE 3.125 . 4.450 3.811 2.703 4.470 0.020 8 0 "[ . 1 . 2]" 1
284 1 14 SER HA 1 15 LEU H 2.580 . 3.360 2.194 2.152 2.278 . 0 0 "[ . 1 . 2]" 1
285 1 44 TRP HD1 1 108 PHE H 3.610 . 5.420 3.645 3.255 4.166 . 0 0 "[ . 1 . 2]" 1
286 1 108 PHE H 1 108 PHE QD 3.065 . 4.330 4.204 4.190 4.217 . 0 0 "[ . 1 . 2]" 1
287 1 107 ILE HB 1 108 PHE H 3.030 . 4.260 3.979 3.856 4.073 . 0 0 "[ . 1 . 2]" 1
288 1 107 ILE MG 1 108 PHE H 3.130 . 4.460 2.374 2.120 2.551 . 0 0 "[ . 1 . 2]" 1
289 1 74 LYS H 1 75 ALA H 3.020 . 4.240 2.550 1.814 4.077 . 0 0 "[ . 1 . 2]" 1
290 1 9 ALA H 1 10 LYS H 2.790 . 3.780 2.640 2.490 2.726 . 0 0 "[ . 1 . 2]" 1
291 1 8 THR HB 1 9 ALA H 3.165 . 4.530 3.708 3.461 3.890 . 0 0 "[ . 1 . 2]" 1
292 1 9 ALA H 1 9 ALA MB 2.510 . 3.220 2.243 2.235 2.252 . 0 0 "[ . 1 . 2]" 1
293 1 45 LEU H 1 46 ALA H 2.930 . 4.060 2.701 2.644 2.818 . 0 0 "[ . 1 . 2]" 1
294 1 44 TRP H 1 46 ALA H 3.100 . 4.400 4.031 3.847 4.284 . 0 0 "[ . 1 . 2]" 1
295 1 46 ALA H 1 47 CYS H 2.795 . 3.790 2.590 2.445 2.728 . 0 0 "[ . 1 . 2]" 1
296 1 45 LEU HB3 1 46 ALA H 2.910 . 4.020 3.559 3.343 3.688 . 0 0 "[ . 1 . 2]" 1
297 1 45 LEU HB2 1 46 ALA H 2.910 . 4.020 2.663 2.337 3.011 . 0 0 "[ . 1 . 2]" 1
298 1 46 ALA H 1 46 ALA MB 2.505 . 3.210 2.245 2.227 2.272 . 0 0 "[ . 1 . 2]" 1
299 1 65 GLU H 1 66 ILE H 2.905 . 4.010 2.983 2.880 3.105 . 0 0 "[ . 1 . 2]" 1
300 1 63 ALA HA 1 66 ILE H 3.100 . 4.400 4.018 3.835 4.204 . 0 0 "[ . 1 . 2]" 1
301 1 65 GLU HB2 1 66 ILE H 3.150 . 4.500 3.347 2.220 3.681 . 0 0 "[ . 1 . 2]" 1
302 1 65 GLU HB3 1 66 ILE H 3.150 . 4.500 2.307 1.962 3.173 . 0 0 "[ . 1 . 2]" 1
303 1 66 ILE H 1 66 ILE HG12 2.775 . 3.750 2.100 1.984 2.215 . 0 0 "[ . 1 . 2]" 1
304 1 66 ILE H 1 66 ILE HB 2.790 . 3.780 3.646 3.624 3.664 . 0 0 "[ . 1 . 2]" 1
305 1 66 ILE H 1 66 ILE MG 2.955 . 4.110 2.225 2.104 2.332 . 0 0 "[ . 1 . 2]" 1
306 1 115 SER H 1 116 TYR H 3.110 . 4.420 2.699 2.588 2.826 . 0 0 "[ . 1 . 2]" 1
307 1 116 TYR H 1 116 TYR QD 3.090 . 4.380 3.822 2.396 4.255 . 0 0 "[ . 1 . 2]" 1
308 1 116 TYR H 1 117 SER H 2.845 . 3.890 2.572 2.445 2.749 . 0 0 "[ . 1 . 2]" 1
309 1 116 TYR H 1 116 TYR HB3 2.860 . 3.920 2.784 2.331 3.609 . 0 0 "[ . 1 . 2]" 1
310 1 116 TYR H 1 116 TYR HB2 2.860 . 3.920 2.563 2.185 2.861 . 0 0 "[ . 1 . 2]" 1
311 1 79 VAL HA 1 80 ASN H 2.480 . 3.160 2.252 2.151 2.388 . 0 0 "[ . 1 . 2]" 1
312 1 80 ASN H 1 80 ASN HB3 2.835 . 3.870 3.170 2.441 3.673 . 0 0 "[ . 1 . 2]" 1
313 1 80 ASN H 1 80 ASN HB2 2.835 . 3.870 2.671 2.346 3.646 . 0 0 "[ . 1 . 2]" 1
314 1 79 VAL HB 1 80 ASN H 2.785 . 3.770 3.870 3.756 3.947 0.177 20 0 "[ . 1 . 2]" 1
315 1 79 VAL MG2 1 80 ASN H 3.160 . 4.520 2.543 1.952 4.026 . 0 0 "[ . 1 . 2]" 1
316 1 79 VAL MG1 1 80 ASN H 3.160 . 4.520 3.502 2.139 3.960 . 0 0 "[ . 1 . 2]" 1
317 1 24 GLY H 1 25 VAL H 2.685 . 3.570 2.823 2.621 2.979 . 0 0 "[ . 1 . 2]" 1
318 1 25 VAL H 1 26 LYS H 2.780 . 3.760 2.778 2.688 2.889 . 0 0 "[ . 1 . 2]" 1
319 1 25 VAL H 1 25 VAL HB 2.585 . 3.370 2.607 2.554 2.660 . 0 0 "[ . 1 . 2]" 1
320 1 25 VAL H 1 25 VAL MG2 2.995 . 4.190 1.957 1.879 2.077 . 0 0 "[ . 1 . 2]" 1
321 1 61 GLU H 1 63 ALA H 3.370 . 4.940 3.981 3.847 4.093 . 0 0 "[ . 1 . 2]" 1
322 1 63 ALA H 1 65 GLU H 3.495 . 5.190 3.742 3.421 4.072 . 0 0 "[ . 1 . 2]" 1
323 1 50 PHE QE 1 63 ALA H 2.940 . 4.080 2.747 2.495 3.177 . 0 0 "[ . 1 . 2]" 1
324 1 62 LYS HB3 1 63 ALA H 2.860 . 3.920 3.643 2.739 4.022 0.102 8 0 "[ . 1 . 2]" 1
325 1 62 LYS HB2 1 63 ALA H 2.860 . 3.920 3.238 2.936 3.929 0.009 2 0 "[ . 1 . 2]" 1
326 1 63 ALA H 1 63 ALA MB 2.540 . 3.280 2.259 2.241 2.279 . 0 0 "[ . 1 . 2]" 1
327 1 129 LYS H 1 130 ARG H 3.160 . 4.520 2.863 1.927 4.569 0.049 17 0 "[ . 1 . 2]" 1
328 1 86 ARG HA 1 87 LEU H 2.470 . 3.140 2.648 2.085 3.465 0.325 19 0 "[ . 1 . 2]" 1
329 1 87 LEU H 1 87 LEU HB3 2.850 . 3.900 3.684 3.589 4.081 0.181 1 0 "[ . 1 . 2]" 1
330 1 41 VAL H 1 42 LEU H 2.820 . 3.840 2.728 2.659 2.792 . 0 0 "[ . 1 . 2]" 1
331 1 39 GLU HA 1 42 LEU H 3.115 . 4.430 3.936 3.650 4.198 . 0 0 "[ . 1 . 2]" 1
332 1 42 LEU H 1 42 LEU HB3 2.915 . 4.030 3.535 2.854 3.590 . 0 0 "[ . 1 . 2]" 1
333 1 42 LEU H 1 42 LEU HB2 2.915 . 4.030 2.321 2.209 2.390 . 0 0 "[ . 1 . 2]" 1
334 1 42 LEU H 1 42 LEU HG 2.990 . 4.180 2.768 2.547 4.212 0.032 16 0 "[ . 1 . 2]" 1
335 1 42 LEU H 1 42 LEU MD2 3.395 . 4.990 3.657 3.490 4.303 . 0 0 "[ . 1 . 2]" 1
336 1 100 PHE H 1 101 GLN H 2.690 . 3.580 2.461 2.132 2.879 . 0 0 "[ . 1 . 2]" 1
337 1 101 GLN H 1 101 GLN HG2 3.185 . 4.570 3.597 2.320 4.490 . 0 0 "[ . 1 . 2]" 1
338 1 101 GLN H 1 101 GLN HG3 3.185 . 4.570 3.989 3.716 4.528 . 0 0 "[ . 1 . 2]" 1
339 1 41 VAL HB 1 42 LEU H 3.175 . 4.550 3.971 3.913 4.027 . 0 0 "[ . 1 . 2]" 1
340 1 107 ILE H 1 107 ILE HG12 3.360 . 4.920 4.728 4.697 4.755 . 0 0 "[ . 1 . 2]" 1
341 1 107 ILE H 1 107 ILE HG13 3.180 . 4.560 4.573 4.543 4.595 0.035 10 0 "[ . 1 . 2]" 1
342 1 58 GLN H 1 59 MET H 2.665 . 3.530 2.777 2.651 2.942 . 0 0 "[ . 1 . 2]" 1
343 1 6 LYS H 1 7 SER H 3.015 . 4.230 2.629 2.443 2.923 . 0 0 "[ . 1 . 2]" 1
344 1 57 THR HB 1 58 GLN H 2.640 . 3.480 2.894 2.212 3.484 0.004 5 0 "[ . 1 . 2]" 1
345 1 58 GLN H 1 58 GLN HB3 2.735 . 3.670 3.579 3.558 3.615 . 0 0 "[ . 1 . 2]" 1
346 1 58 GLN H 1 58 GLN HB2 2.735 . 3.670 2.463 2.335 2.561 . 0 0 "[ . 1 . 2]" 1
347 1 57 THR MG 1 58 GLN H 3.205 . 4.610 3.627 3.120 3.952 . 0 0 "[ . 1 . 2]" 1
348 1 131 THR MG 1 132 GLU H 3.315 . 4.830 3.364 1.763 4.213 0.037 13 0 "[ . 1 . 2]" 1
349 1 12 ALA H 1 13 ALA H 3.120 . 4.440 2.431 2.278 2.545 . 0 0 "[ . 1 . 2]" 1
350 1 13 ALA H 1 14 SER HA 3.650 . 5.500 4.940 4.864 4.994 . 0 0 "[ . 1 . 2]" 1
351 1 12 ALA HA 1 13 ALA H 2.545 . 3.290 3.317 3.230 3.368 0.078 18 0 "[ . 1 . 2]" 1
352 1 13 ALA H 1 13 ALA MB 2.410 . 3.020 2.327 2.316 2.345 . 0 0 "[ . 1 . 2]" 1
353 1 12 ALA MB 1 13 ALA H 2.750 . 3.700 3.327 3.272 3.422 . 0 0 "[ . 1 . 2]" 1
354 1 17 ASN H 1 18 LEU H 2.750 . 3.700 2.689 2.609 2.775 . 0 0 "[ . 1 . 2]" 1
355 1 18 LEU H 1 20 GLU H 2.860 . 3.920 3.903 3.811 3.998 0.078 5 0 "[ . 1 . 2]" 1
356 1 14 SER HA 1 18 LEU H 5.000 . 5.000 5.500 5.425 5.576 0.576 20 11 "[*** * ***1 * *- +]" 1
357 1 16 GLU HA 1 18 LEU H 3.545 . 5.290 4.476 4.360 4.634 . 0 0 "[ . 1 . 2]" 1
358 1 17 ASN HB3 1 18 LEU H 2.585 . 3.370 3.443 3.382 3.486 0.116 17 0 "[ . 1 . 2]" 1
359 1 17 ASN HB2 1 18 LEU H 3.050 . 4.300 2.483 2.344 2.675 . 0 0 "[ . 1 . 2]" 1
360 1 18 LEU H 1 18 LEU HB3 2.790 . 3.780 2.481 2.324 2.702 . 0 0 "[ . 1 . 2]" 1
361 1 18 LEU H 1 18 LEU HB2 2.790 . 3.780 2.571 2.278 3.663 . 0 0 "[ . 1 . 2]" 1
362 1 18 LEU H 1 19 LEU HB2 3.605 . 5.410 5.056 4.812 5.184 . 0 0 "[ . 1 . 2]" 1
363 1 18 LEU H 1 19 LEU HG 3.650 . 5.500 4.700 4.519 4.926 . 0 0 "[ . 1 . 2]" 1
364 1 18 LEU H 1 18 LEU HG 3.170 . 4.540 4.300 2.265 4.468 . 0 0 "[ . 1 . 2]" 1
365 1 18 LEU H 1 18 LEU MD1 5.000 . 5.000 4.143 3.601 4.229 . 0 0 "[ . 1 . 2]" 1
366 1 18 LEU H 1 18 LEU MD2 4.600 . 4.600 4.206 3.379 4.293 . 0 0 "[ . 1 . 2]" 1
367 1 103 LEU H 1 104 GLN H 2.765 . 3.730 2.584 2.379 2.924 . 0 0 "[ . 1 . 2]" 1
368 1 103 LEU HB2 1 104 GLN H 3.090 . 4.380 2.817 2.364 3.073 . 0 0 "[ . 1 . 2]" 1
369 1 28 PHE H 1 30 GLU H 2.780 . 3.760 4.130 3.776 4.272 0.512 6 1 "[ .+ 1 . 2]" 1
370 1 28 PHE H 1 28 PHE QD 2.970 . 4.140 4.159 4.134 4.186 0.046 20 0 "[ . 1 . 2]" 1
371 1 28 PHE H 1 28 PHE HB2 2.760 . 3.720 2.556 2.379 2.762 . 0 0 "[ . 1 . 2]" 1
372 1 28 PHE H 1 29 ARG H 2.830 . 3.860 2.591 2.493 2.800 . 0 0 "[ . 1 . 2]" 1
373 1 27 ARG HB2 1 28 PHE H 2.780 . 3.760 2.792 2.527 2.975 . 0 0 "[ . 1 . 2]" 1
374 1 50 PHE H 1 50 PHE QD 3.105 . 4.410 4.096 3.867 4.164 . 0 0 "[ . 1 . 2]" 1
375 1 46 ALA HA 1 50 PHE H 3.275 . 4.750 3.879 3.690 4.074 . 0 0 "[ . 1 . 2]" 1
376 1 107 ILE HA 1 110 LEU H 3.400 . 5.000 3.264 3.009 3.663 . 0 0 "[ . 1 . 2]" 1
377 1 50 PHE H 1 50 PHE HB2 2.830 . 3.860 2.318 2.135 2.473 . 0 0 "[ . 1 . 2]" 1
378 1 50 PHE H 1 50 PHE HB3 2.830 . 3.860 2.638 2.334 2.895 . 0 0 "[ . 1 . 2]" 1
379 1 42 LEU H 1 43 PHE H 2.925 . 4.050 2.591 2.541 2.670 . 0 0 "[ . 1 . 2]" 1
380 1 43 PHE H 1 43 PHE QD 3.055 . 4.310 4.209 4.195 4.228 . 0 0 "[ . 1 . 2]" 1
381 1 43 PHE H 1 43 PHE HB3 2.830 . 3.860 2.533 2.447 2.599 . 0 0 "[ . 1 . 2]" 1
382 1 43 PHE H 1 43 PHE HB2 2.830 . 3.860 2.584 2.532 2.669 . 0 0 "[ . 1 . 2]" 1
383 1 42 LEU HB3 1 43 PHE H 3.120 . 4.440 3.599 2.679 3.750 . 0 0 "[ . 1 . 2]" 1
384 1 42 LEU HB2 1 43 PHE H 3.120 . 4.440 2.945 2.790 3.575 . 0 0 "[ . 1 . 2]" 1
385 1 130 ARG H 1 131 THR H 3.435 . 5.070 3.826 2.147 4.606 . 0 0 "[ . 1 . 2]" 1
386 1 131 THR H 1 132 GLU H 3.630 . 5.460 3.929 2.317 4.645 . 0 0 "[ . 1 . 2]" 1
387 1 5 LEU HA 1 6 LYS H 2.430 . 3.060 3.423 3.074 3.469 0.409 19 0 "[ . 1 . 2]" 1
388 1 89 GLU HB2 1 90 LYS H 3.265 . 4.730 3.434 1.862 4.613 . 0 0 "[ . 1 . 2]" 1
389 1 89 GLU HB3 1 90 LYS H 3.265 . 4.730 3.762 2.774 4.493 . 0 0 "[ . 1 . 2]" 1
390 1 109 ASN H 1 110 LEU H 2.690 . 3.580 2.641 2.450 2.793 . 0 0 "[ . 1 . 2]" 1
391 1 110 LEU H 1 110 LEU HB3 2.880 . 3.960 2.589 2.476 2.723 . 0 0 "[ . 1 . 2]" 1
392 1 86 ARG H 1 86 ARG HB3 2.980 . 4.160 3.383 2.537 3.753 . 0 0 "[ . 1 . 2]" 1
393 1 110 LEU H 1 110 LEU HB2 2.880 . 3.960 2.540 2.215 3.636 . 0 0 "[ . 1 . 2]" 1
394 1 74 LYS H 1 75 ALA MB 3.145 . 4.490 3.406 3.060 3.788 . 0 0 "[ . 1 . 2]" 1
395 1 44 TRP H 1 45 LEU H 3.040 . 4.280 2.747 2.687 2.793 . 0 0 "[ . 1 . 2]" 1
396 1 43 PHE H 1 44 TRP H 2.995 . 4.190 2.755 2.645 2.854 . 0 0 "[ . 1 . 2]" 1
397 1 43 PHE QD 1 44 TRP H 3.095 . 4.390 3.701 3.424 4.056 . 0 0 "[ . 1 . 2]" 1
398 1 41 VAL HA 1 44 TRP H 2.945 . 4.090 3.725 3.565 3.835 . 0 0 "[ . 1 . 2]" 1
399 1 43 PHE HB3 1 44 TRP H 3.110 . 4.420 2.545 2.405 2.671 . 0 0 "[ . 1 . 2]" 1
400 1 43 PHE HB2 1 44 TRP H 3.110 . 4.420 3.880 3.812 3.976 . 0 0 "[ . 1 . 2]" 1
401 1 44 TRP H 1 46 ALA MB 3.530 . 5.260 4.718 4.551 4.898 . 0 0 "[ . 1 . 2]" 1
402 1 44 TRP H 1 107 ILE MG 3.650 . 5.500 3.755 3.314 4.129 . 0 0 "[ . 1 . 2]" 1
403 1 62 LYS H 1 63 ALA H 2.785 . 3.770 2.487 2.312 2.724 . 0 0 "[ . 1 . 2]" 1
404 1 61 GLU H 1 62 LYS H 2.695 . 3.590 2.644 2.531 2.868 . 0 0 "[ . 1 . 2]" 1
405 1 59 MET HA 1 62 LYS H 2.940 . 4.080 3.580 3.267 4.083 0.003 7 0 "[ . 1 . 2]" 1
406 1 112 LYS H 1 113 TYR HB3 3.465 . 5.130 4.886 4.730 5.042 . 0 0 "[ . 1 . 2]" 1
407 1 62 LYS H 1 63 ALA MB 3.125 . 4.450 4.201 4.034 4.404 . 0 0 "[ . 1 . 2]" 1
408 1 89 GLU H 1 90 LYS H 2.890 . 3.980 3.227 1.951 4.457 0.477 5 0 "[ . 1 . 2]" 1
409 1 90 LYS H 1 90 LYS HG2 3.010 . 4.220 3.461 2.311 4.367 0.147 3 0 "[ . 1 . 2]" 1
410 1 90 LYS H 1 90 LYS HG3 3.010 . 4.220 2.749 1.963 4.254 0.034 18 0 "[ . 1 . 2]" 1
411 1 67 TYR H 1 68 MET H 3.035 . 4.270 2.750 2.553 2.832 . 0 0 "[ . 1 . 2]" 1
412 1 66 ILE H 1 67 TYR H 2.950 . 4.100 2.686 2.600 2.777 . 0 0 "[ . 1 . 2]" 1
413 1 67 TYR H 1 67 TYR QD 3.030 . 4.260 4.219 4.196 4.240 . 0 0 "[ . 1 . 2]" 1
414 1 67 TYR H 1 67 TYR HB3 2.745 . 3.690 2.535 2.387 2.683 . 0 0 "[ . 1 . 2]" 1
415 1 67 TYR H 1 67 TYR HB2 2.745 . 3.690 2.584 2.506 2.735 . 0 0 "[ . 1 . 2]" 1
416 1 66 ILE HB 1 67 TYR H 2.810 . 3.820 3.827 3.743 3.893 0.073 18 0 "[ . 1 . 2]" 1
417 1 66 ILE MG 1 67 TYR H 5.000 . 5.000 4.003 3.949 4.055 . 0 0 "[ . 1 . 2]" 1
418 1 64 LYS HA 1 65 GLU H 2.665 . 3.530 3.501 3.467 3.528 . 0 0 "[ . 1 . 2]" 1
419 1 65 GLU H 1 65 GLU HB2 2.975 . 4.150 2.467 2.312 2.583 . 0 0 "[ . 1 . 2]" 1
420 1 65 GLU H 1 65 GLU HB3 2.975 . 4.150 2.741 2.459 3.534 . 0 0 "[ . 1 . 2]" 1
421 1 106 GLN H 1 106 GLN HB2 2.940 . 4.080 2.384 2.211 2.574 . 0 0 "[ . 1 . 2]" 1
422 1 64 LYS HD2 1 65 GLU H 3.650 . 5.500 4.770 4.353 5.097 . 0 0 "[ . 1 . 2]" 1
423 1 64 LYS HD3 1 65 GLU H 3.650 . 5.500 4.906 4.014 5.511 0.011 3 0 "[ . 1 . 2]" 1
424 1 31 PHE H 1 32 LEU H 2.875 . 3.950 2.812 2.682 2.979 . 0 0 "[ . 1 . 2]" 1
425 1 54 GLN H 1 55 ASP H 3.050 . 4.300 4.032 3.607 4.510 0.210 12 0 "[ . 1 . 2]" 1
426 1 31 PHE H 1 31 PHE QD 4.600 . 4.600 4.190 4.156 4.218 . 0 0 "[ . 1 . 2]" 1
427 1 31 PHE H 1 31 PHE HB2 2.870 . 3.940 2.589 2.384 2.726 . 0 0 "[ . 1 . 2]" 1
428 1 31 PHE H 1 31 PHE HB3 2.870 . 3.940 2.498 2.362 2.672 . 0 0 "[ . 1 . 2]" 1
429 1 55 ASP H 1 55 ASP HB3 2.830 . 3.860 2.669 2.178 3.668 . 0 0 "[ . 1 . 2]" 1
430 1 55 ASP H 1 55 ASP HB2 2.830 . 3.860 2.815 2.366 3.626 . 0 0 "[ . 1 . 2]" 1
431 1 73 SER HA 1 74 LYS H 2.675 . 3.550 3.197 2.808 3.539 . 0 0 "[ . 1 . 2]" 1
432 1 106 GLN H 1 107 ILE H 2.900 . 4.000 2.811 2.626 2.908 . 0 0 "[ . 1 . 2]" 1
433 1 105 ASP HB3 1 106 GLN H 2.925 . 4.050 2.700 2.402 3.764 . 0 0 "[ . 1 . 2]" 1
434 1 105 ASP HB2 1 106 GLN H 2.925 . 4.050 3.651 2.330 3.982 . 0 0 "[ . 1 . 2]" 1
435 1 106 GLN H 1 106 GLN HB3 2.940 . 4.080 2.966 2.491 3.618 . 0 0 "[ . 1 . 2]" 1
436 1 104 GLN H 1 105 ASP H 2.810 . 3.820 2.620 2.496 2.762 . 0 0 "[ . 1 . 2]" 1
437 1 105 ASP H 1 106 GLN H 2.765 . 3.730 2.639 2.467 2.794 . 0 0 "[ . 1 . 2]" 1
438 1 88 ASN HA 1 89 GLU H 2.600 . 3.400 2.894 2.091 3.528 0.128 11 0 "[ . 1 . 2]" 1
439 1 102 LYS HA 1 105 ASP H 2.885 . 3.970 3.476 2.907 3.945 . 0 0 "[ . 1 . 2]" 1
440 1 105 ASP H 1 105 ASP HB2 2.750 . 3.700 2.573 2.444 2.692 . 0 0 "[ . 1 . 2]" 1
441 1 104 GLN HB3 1 105 ASP H 3.305 . 4.810 2.785 2.333 3.950 . 0 0 "[ . 1 . 2]" 1
442 1 104 GLN HB2 1 105 ASP H 3.305 . 4.810 3.717 2.390 4.017 . 0 0 "[ . 1 . 2]" 1
443 1 53 MET H 1 53 MET HG3 2.795 . 3.790 2.833 1.930 3.257 . 0 0 "[ . 1 . 2]" 1
444 1 53 MET H 1 53 MET HG2 2.795 . 3.790 2.925 2.292 3.947 0.157 9 0 "[ . 1 . 2]" 1
445 1 52 LYS HB3 1 53 MET H 2.900 . 4.000 3.282 2.511 4.011 0.011 13 0 "[ . 1 . 2]" 1
446 1 52 LYS HB2 1 53 MET H 2.900 . 4.000 3.104 2.141 4.037 0.037 7 0 "[ . 1 . 2]" 1
447 1 99 MET H 1 100 PHE H 2.865 . 3.930 2.920 2.520 4.006 0.076 5 0 "[ . 1 . 2]" 1
448 1 102 LYS H 1 103 LEU H 2.890 . 3.980 2.657 2.171 3.362 . 0 0 "[ . 1 . 2]" 1
449 1 97 PRO QG 1 99 MET H 2.830 . 3.860 4.774 4.447 5.036 1.176 5 20 [****+**********-****] 1
450 1 103 LEU H 1 103 LEU HB3 2.990 . 4.180 3.583 3.542 3.607 . 0 0 "[ . 1 . 2]" 1
451 1 102 LYS HB2 1 103 LEU H 2.755 . 3.710 2.799 2.273 3.744 0.034 4 0 "[ . 1 . 2]" 1
452 1 102 LYS HB3 1 103 LEU H 2.755 . 3.710 3.438 2.336 3.801 0.091 15 0 "[ . 1 . 2]" 1
453 1 103 LEU H 1 103 LEU HG 3.425 . 5.050 3.928 3.834 4.035 . 0 0 "[ . 1 . 2]" 1
454 1 103 LEU H 1 103 LEU MD1 2.980 . 4.160 3.446 2.136 3.846 . 0 0 "[ . 1 . 2]" 1
455 1 87 LEU H 1 88 ASN H 3.310 . 4.820 3.781 2.152 4.536 . 0 0 "[ . 1 . 2]" 1
456 1 87 LEU HA 1 88 ASN H 2.570 . 3.340 2.557 2.110 3.519 0.179 1 0 "[ . 1 . 2]" 1
457 1 87 LEU HB2 1 88 ASN H 3.015 . 4.230 3.795 2.127 4.446 0.216 5 0 "[ . 1 . 2]" 1
458 1 87 LEU HB3 1 88 ASN H 2.960 . 4.120 3.492 2.050 4.153 0.033 16 0 "[ . 1 . 2]" 1
459 1 78 GLN H 1 79 VAL H 3.115 . 4.430 4.352 3.634 4.590 0.160 7 0 "[ . 1 . 2]" 1
460 1 77 SER H 1 78 GLN H 2.995 . 4.190 2.891 1.750 4.261 0.071 18 0 "[ . 1 . 2]" 1
461 1 77 SER HA 1 78 GLN H 2.650 . 3.500 2.776 2.148 3.547 0.047 12 0 "[ . 1 . 2]" 1
462 1 103 LEU H 1 103 LEU HB2 2.990 . 4.180 2.374 2.261 2.458 . 0 0 "[ . 1 . 2]" 1
463 1 127 LYS H 1 128 HIS HA 3.335 . 4.870 4.944 4.726 5.044 0.174 2 0 "[ . 1 . 2]" 1
464 1 32 LEU H 1 33 LYS H 2.840 . 3.880 2.604 2.433 2.709 . 0 0 "[ . 1 . 2]" 1
465 1 31 PHE QD 1 32 LEU H 3.030 . 4.260 3.201 2.832 4.030 . 0 0 "[ . 1 . 2]" 1
466 1 31 PHE HB3 1 32 LEU H 3.160 . 4.520 2.320 2.119 2.511 . 0 0 "[ . 1 . 2]" 1
467 1 31 PHE HB2 1 32 LEU H 3.160 . 4.520 3.739 3.590 3.890 . 0 0 "[ . 1 . 2]" 1
468 1 32 LEU H 1 32 LEU HG 3.375 . 4.950 2.559 2.359 3.742 . 0 0 "[ . 1 . 2]" 1
469 1 32 LEU H 1 32 LEU MD2 3.135 . 4.470 3.179 1.905 3.396 . 0 0 "[ . 1 . 2]" 1
470 1 32 LEU H 1 32 LEU MD1 3.135 . 4.470 3.725 1.760 3.937 0.040 13 0 "[ . 1 . 2]" 1
471 1 10 LYS H 1 12 ALA H 3.140 . 4.480 4.065 3.815 4.225 . 0 0 "[ . 1 . 2]" 1
472 1 9 ALA MB 1 10 LYS H 2.680 . 3.560 2.594 2.523 2.738 . 0 0 "[ . 1 . 2]" 1
473 1 10 LYS H 1 11 TRP H 2.760 . 3.720 2.876 2.733 3.030 . 0 0 "[ . 1 . 2]" 1
474 1 9 ALA H 1 11 TRP H 3.195 . 4.590 4.467 4.239 4.623 0.033 10 0 "[ . 1 . 2]" 1
475 1 11 TRP H 1 17 ASN HD21 3.360 . 4.920 4.894 4.707 5.058 0.138 3 0 "[ . 1 . 2]" 1
476 1 11 TRP H 1 11 TRP HZ3 5.000 . 5.000 5.514 5.436 5.584 0.584 11 14 "[***** * *+** *- * *]" 1
477 1 11 TRP H 1 11 TRP HD1 2.795 . 3.790 3.578 3.357 3.778 . 0 0 "[ . 1 . 2]" 1
478 1 8 THR HA 1 11 TRP H 2.855 . 3.910 3.324 3.092 3.571 . 0 0 "[ . 1 . 2]" 1
479 1 127 LYS H 1 127 LYS HD2 3.650 . 5.500 4.493 3.836 5.160 . 0 0 "[ . 1 . 2]" 1
480 1 127 LYS H 1 127 LYS HD3 3.650 . 5.500 4.961 4.028 5.545 0.045 5 0 "[ . 1 . 2]" 1
481 1 24 GLY H 1 26 LYS H 3.020 . 4.240 3.969 3.805 4.178 . 0 0 "[ . 1 . 2]" 1
482 1 26 LYS H 1 27 ARG H 3.170 . 4.540 2.660 2.416 2.970 . 0 0 "[ . 1 . 2]" 1
483 1 48 GLU H 1 49 ASP H 3.295 . 4.790 2.735 2.528 2.978 . 0 0 "[ . 1 . 2]" 1
484 1 25 VAL HB 1 26 LYS H 2.660 . 3.520 2.797 2.618 2.895 . 0 0 "[ . 1 . 2]" 1
485 1 26 LYS H 1 26 LYS QB 2.450 . 3.100 2.313 2.090 2.529 . 0 0 "[ . 1 . 2]" 1
486 1 26 LYS H 1 26 LYS HG3 3.230 . 4.660 3.937 3.681 4.217 . 0 0 "[ . 1 . 2]" 1
487 1 26 LYS H 1 26 LYS HD2 3.545 . 5.290 3.076 1.842 4.902 . 0 0 "[ . 1 . 2]" 1
488 1 26 LYS H 1 26 LYS HD3 3.545 . 5.290 3.622 2.854 4.610 . 0 0 "[ . 1 . 2]" 1
489 1 25 VAL MG2 1 26 LYS H 3.090 . 4.380 3.875 3.780 3.945 . 0 0 "[ . 1 . 2]" 1
490 1 25 VAL MG1 1 26 LYS H 3.090 . 4.380 3.623 3.452 3.727 . 0 0 "[ . 1 . 2]" 1
491 1 15 LEU H 1 16 GLU H 2.935 . 4.070 2.637 2.531 2.733 . 0 0 "[ . 1 . 2]" 1
492 1 14 SER H 1 16 GLU H 3.365 . 4.930 4.973 4.799 5.073 0.143 8 0 "[ . 1 . 2]" 1
493 1 14 SER HA 1 16 GLU H 3.255 . 4.710 3.787 3.672 4.057 . 0 0 "[ . 1 . 2]" 1
494 1 16 GLU H 1 16 GLU HG3 3.205 . 4.610 3.114 1.858 4.492 . 0 0 "[ . 1 . 2]" 1
495 1 16 GLU H 1 16 GLU HG2 3.205 . 4.610 3.560 2.090 4.483 . 0 0 "[ . 1 . 2]" 1
496 1 60 GLN HB3 1 61 GLU H 2.615 . 3.430 3.409 3.181 3.537 0.107 15 0 "[ . 1 . 2]" 1
497 1 60 GLN HB2 1 61 GLU H 2.615 . 3.430 2.421 2.229 2.620 . 0 0 "[ . 1 . 2]" 1
498 1 23 GLU H 1 26 LYS H 3.230 . 4.660 4.745 4.620 4.857 0.197 9 0 "[ . 1 . 2]" 1
499 1 30 GLU H 1 31 PHE H 2.710 . 3.620 2.663 2.504 2.807 . 0 0 "[ . 1 . 2]" 1
500 1 23 GLU HA 1 26 LYS H 2.925 . 4.050 3.508 3.096 3.834 . 0 0 "[ . 1 . 2]" 1
501 1 30 GLU H 1 30 GLU HG3 2.990 . 4.180 3.422 2.527 4.119 . 0 0 "[ . 1 . 2]" 1
502 1 29 ARG QB 1 30 GLU H 2.495 . 3.190 2.460 2.302 2.628 . 0 0 "[ . 1 . 2]" 1
503 1 26 LYS H 1 26 LYS HG2 3.230 . 4.660 3.606 2.174 4.352 . 0 0 "[ . 1 . 2]" 1
504 1 100 PHE H 1 100 PHE HB3 2.970 . 4.140 3.587 3.439 3.675 . 0 0 "[ . 1 . 2]" 1
505 1 100 PHE H 1 100 PHE HB2 2.970 . 4.140 2.344 2.187 2.488 . 0 0 "[ . 1 . 2]" 1
506 1 96 HIS H 1 96 HIS HD2 3.145 . 4.490 3.364 2.357 4.526 0.036 8 0 "[ . 1 . 2]" 1
507 1 95 PRO HA 1 96 HIS H 2.430 . 3.060 2.175 2.121 2.459 . 0 0 "[ . 1 . 2]" 1
508 1 95 PRO HB3 1 96 HIS H 2.755 . 3.710 3.488 3.242 3.790 0.080 15 0 "[ . 1 . 2]" 1
509 1 95 PRO HB2 1 96 HIS H 2.755 . 3.710 3.556 2.407 3.756 0.046 4 0 "[ . 1 . 2]" 1
510 1 96 HIS H 1 99 MET ME 3.020 . 4.240 3.550 2.917 4.270 0.030 19 0 "[ . 1 . 2]" 1
511 1 115 SER HA 1 118 ARG H 3.065 . 4.330 3.440 3.074 3.968 . 0 0 "[ . 1 . 2]" 1
512 1 118 ARG H 1 118 ARG HB3 2.820 . 3.840 3.239 2.399 3.647 . 0 0 "[ . 1 . 2]" 1
513 1 118 ARG H 1 118 ARG HB2 2.820 . 3.840 2.533 2.205 2.810 . 0 0 "[ . 1 . 2]" 1
514 1 49 ASP H 1 50 PHE H 2.730 . 3.660 2.634 2.465 2.771 . 0 0 "[ . 1 . 2]" 1
515 1 47 CYS H 1 49 ASP H 3.125 . 4.450 4.285 4.066 4.477 0.027 15 0 "[ . 1 . 2]" 1
516 1 23 GLU HA 1 27 ARG H 3.330 . 4.860 3.776 3.147 4.323 . 0 0 "[ . 1 . 2]" 1
517 1 46 ALA HA 1 49 ASP H 3.410 . 5.020 3.565 3.220 3.794 . 0 0 "[ . 1 . 2]" 1
518 1 49 ASP H 1 50 PHE HB2 3.650 . 5.500 4.722 4.452 4.911 . 0 0 "[ . 1 . 2]" 1
519 1 49 ASP H 1 50 PHE HB3 3.650 . 5.500 4.859 4.312 5.142 . 0 0 "[ . 1 . 2]" 1
520 1 49 ASP H 1 49 ASP HB2 2.885 . 3.970 2.486 2.314 2.665 . 0 0 "[ . 1 . 2]" 1
521 1 49 ASP H 1 49 ASP HB3 2.885 . 3.970 2.672 2.396 3.608 . 0 0 "[ . 1 . 2]" 1
522 1 48 GLU HB3 1 49 ASP H 3.025 . 4.250 2.392 2.134 3.131 . 0 0 "[ . 1 . 2]" 1
523 1 48 GLU HB2 1 49 ASP H 3.025 . 4.250 3.422 2.351 3.865 . 0 0 "[ . 1 . 2]" 1
524 1 76 SER H 1 77 SER H 3.025 . 4.250 2.126 1.640 2.815 0.160 3 0 "[ . 1 . 2]" 1
525 1 74 LYS H 1 77 SER H 3.150 . 4.500 5.535 5.409 5.695 1.195 10 20 [*********+*****-****] 1
526 1 76 SER HB3 1 77 SER H 3.120 . 4.440 4.169 3.818 4.538 0.098 1 0 "[ . 1 . 2]" 1
527 1 76 SER HB2 1 77 SER H 3.120 . 4.440 3.546 2.688 4.444 0.004 20 0 "[ . 1 . 2]" 1
528 1 75 ALA MB 1 77 SER H 2.835 . 3.870 2.720 2.045 3.565 . 0 0 "[ . 1 . 2]" 1
529 1 33 LYS H 1 34 LYS H 2.800 . 3.800 2.603 2.383 2.802 . 0 0 "[ . 1 . 2]" 1
530 1 33 LYS HA 1 34 LYS H 2.655 . 3.510 3.529 3.483 3.563 0.053 12 0 "[ . 1 . 2]" 1
531 1 34 LYS H 1 34 LYS HG3 2.870 . 3.940 2.947 2.063 3.860 . 0 0 "[ . 1 . 2]" 1
532 1 34 LYS H 1 34 LYS HG2 2.870 . 3.940 2.773 1.995 3.722 . 0 0 "[ . 1 . 2]" 1
533 1 29 ARG H 1 30 GLU H 2.780 . 3.760 2.720 2.558 3.056 . 0 0 "[ . 1 . 2]" 1
534 1 28 PHE HB3 1 29 ARG H 3.015 . 4.230 2.583 2.152 2.764 . 0 0 "[ . 1 . 2]" 1
535 1 29 ARG H 1 29 ARG QB 2.815 . 3.290 2.257 2.182 2.332 . 0 0 "[ . 1 . 2]" 1
536 1 39 GLU H 1 40 ASN H 3.045 . 4.290 2.675 2.464 2.917 . 0 0 "[ . 1 . 2]" 1
537 1 40 ASN H 1 42 LEU H 2.995 . 4.190 4.115 3.944 4.222 0.032 12 0 "[ . 1 . 2]" 1
538 1 90 LYS H 1 91 ILE H 2.670 . 3.540 2.885 2.598 3.695 0.155 2 0 "[ . 1 . 2]" 1
539 1 91 ILE H 1 92 LEU H 2.775 . 3.750 2.436 1.717 2.832 0.083 2 0 "[ . 1 . 2]" 1
540 1 90 LYS HA 1 91 ILE H 2.675 . 3.550 3.169 2.382 3.573 0.023 20 0 "[ . 1 . 2]" 1
541 1 91 ILE H 1 91 ILE HB 2.810 . 3.820 2.681 2.427 3.461 . 0 0 "[ . 1 . 2]" 1
542 1 91 ILE H 1 91 ILE MG 2.710 . 3.620 2.085 1.824 2.539 . 0 0 "[ . 1 . 2]" 1
543 1 124 LEU H 1 125 PHE H 3.155 . 4.510 2.718 1.775 4.055 0.025 8 0 "[ . 1 . 2]" 1
544 1 36 PHE H 1 36 PHE QD 3.155 . 4.510 3.977 3.478 4.369 . 0 0 "[ . 1 . 2]" 1
545 1 35 GLU H 1 36 PHE H 2.680 . 3.560 2.425 2.270 2.570 . 0 0 "[ . 1 . 2]" 1
546 1 35 GLU HA 1 36 PHE H 3.800 . 3.800 3.303 3.123 3.432 . 0 0 "[ . 1 . 2]" 1
547 1 91 ILE HA 1 94 GLU H 3.040 . 4.280 3.618 3.255 4.271 . 0 0 "[ . 1 . 2]" 1
548 1 34 LYS HA 1 36 PHE H 3.125 . 4.450 3.768 3.356 4.103 . 0 0 "[ . 1 . 2]" 1
549 1 92 LEU HA 1 94 GLU H 3.405 . 5.010 4.033 3.351 5.022 0.012 7 0 "[ . 1 . 2]" 1
550 1 101 GLN H 1 102 LYS H 3.060 . 4.320 2.870 2.467 4.571 0.251 5 0 "[ . 1 . 2]" 1
551 1 101 GLN HB2 1 102 LYS H 3.265 . 4.730 3.166 2.641 4.454 . 0 0 "[ . 1 . 2]" 1
552 1 101 GLN HB3 1 102 LYS H 3.265 . 4.730 3.412 2.386 4.071 . 0 0 "[ . 1 . 2]" 1
553 1 102 LYS H 1 102 LYS HG2 3.365 . 4.930 3.562 2.194 4.636 . 0 0 "[ . 1 . 2]" 1
554 1 102 LYS H 1 102 LYS HG3 3.365 . 4.930 2.911 2.053 4.899 . 0 0 "[ . 1 . 2]" 1
555 1 23 GLU H 1 25 VAL H 3.010 . 4.220 4.517 4.270 4.675 0.455 12 0 "[ . 1 . 2]" 1
556 1 23 GLU H 1 24 GLY H 2.615 . 3.430 2.671 2.515 2.772 . 0 0 "[ . 1 . 2]" 1
557 1 6 LYS HA 1 7 SER H 2.670 . 3.540 3.523 3.472 3.559 0.019 8 0 "[ . 1 . 2]" 1
558 1 22 PRO QB 1 23 GLU H 2.695 . 3.590 2.566 2.159 3.096 . 0 0 "[ . 1 . 2]" 1
559 1 23 GLU H 1 26 LYS QB 3.650 . 5.500 4.799 4.328 5.170 . 0 0 "[ . 1 . 2]" 1
560 1 108 PHE H 1 109 ASN H 2.925 . 4.050 2.680 2.587 2.776 . 0 0 "[ . 1 . 2]" 1
561 1 107 ILE H 1 109 ASN H 3.275 . 4.750 4.338 4.040 4.628 . 0 0 "[ . 1 . 2]" 1
562 1 108 PHE QD 1 109 ASN H 2.955 . 4.110 3.439 3.028 3.695 . 0 0 "[ . 1 . 2]" 1
563 1 109 ASN H 1 109 ASN HB2 2.910 . 4.020 2.523 2.386 2.796 . 0 0 "[ . 1 . 2]" 1
564 1 109 ASN H 1 109 ASN HB3 2.910 . 4.020 3.142 2.288 3.621 . 0 0 "[ . 1 . 2]" 1
565 1 114 ASP H 1 116 TYR H 3.105 . 4.410 4.281 4.134 4.412 0.002 17 0 "[ . 1 . 2]" 1
566 1 114 ASP H 1 115 SER H 2.850 . 3.900 2.894 2.704 3.140 . 0 0 "[ . 1 . 2]" 1
567 1 113 TYR QD 1 114 ASP H 2.925 . 4.050 2.667 2.439 2.900 . 0 0 "[ . 1 . 2]" 1
568 1 40 ASN H 1 41 VAL H 2.615 . 3.430 2.801 2.497 2.993 . 0 0 "[ . 1 . 2]" 1
569 1 113 TYR HB2 1 114 ASP H 3.075 . 4.350 3.640 3.523 3.732 . 0 0 "[ . 1 . 2]" 1
570 1 113 TYR HB3 1 114 ASP H 2.560 . 3.320 2.147 1.980 2.270 . 0 0 "[ . 1 . 2]" 1
571 1 90 LYS HA 1 92 LEU H 3.395 . 4.990 3.784 3.153 4.559 . 0 0 "[ . 1 . 2]" 1
572 1 91 ILE HB 1 92 LEU H 3.080 . 4.360 4.110 3.912 4.209 . 0 0 "[ . 1 . 2]" 1
573 1 91 ILE MG 1 92 LEU H 3.020 . 4.240 2.452 1.764 2.659 0.036 18 0 "[ . 1 . 2]" 1
574 1 120 LEU H 1 125 PHE HZ 3.650 . 5.500 5.996 5.320 6.206 0.706 2 16 "[*+*******1**- ** * *]" 1
575 1 120 LEU H 1 121 LYS H 2.940 . 4.080 2.549 2.300 2.717 . 0 0 "[ . 1 . 2]" 1
576 1 119 PHE QD 1 120 LEU H 3.170 . 4.540 3.617 3.001 4.464 . 0 0 "[ . 1 . 2]" 1
577 1 120 LEU H 1 120 LEU MD2 3.110 . 4.420 3.242 2.814 3.925 . 0 0 "[ . 1 . 2]" 1
578 1 67 TYR QD 1 68 MET H 3.105 . 4.410 3.482 3.146 4.024 . 0 0 "[ . 1 . 2]" 1
579 1 67 TYR HB3 1 68 MET H 3.135 . 4.470 2.452 2.232 2.651 . 0 0 "[ . 1 . 2]" 1
580 1 67 TYR HB2 1 68 MET H 3.135 . 4.470 3.812 3.672 3.932 . 0 0 "[ . 1 . 2]" 1
581 1 68 MET H 1 68 MET HG2 3.490 . 5.180 4.207 2.530 4.646 . 0 0 "[ . 1 . 2]" 1
582 1 68 MET H 1 68 MET HG3 3.490 . 5.180 4.028 2.302 4.549 . 0 0 "[ . 1 . 2]" 1
583 1 68 MET H 1 68 MET HB3 2.930 . 4.060 2.773 2.375 3.635 . 0 0 "[ . 1 . 2]" 1
584 1 68 MET H 1 68 MET HB2 2.930 . 4.060 2.547 2.444 2.704 . 0 0 "[ . 1 . 2]" 1
585 1 44 TRP HE3 1 45 LEU H 3.340 . 4.880 3.119 2.959 3.286 . 0 0 "[ . 1 . 2]" 1
586 1 41 VAL HA 1 45 LEU H 3.400 . 5.000 4.406 4.164 4.540 . 0 0 "[ . 1 . 2]" 1
587 1 42 LEU HA 1 45 LEU H 3.490 . 5.180 3.506 3.344 3.752 . 0 0 "[ . 1 . 2]" 1
588 1 45 LEU H 1 45 LEU HB3 2.990 . 4.180 3.606 3.559 3.627 . 0 0 "[ . 1 . 2]" 1
589 1 45 LEU H 1 45 LEU HB2 2.990 . 4.180 2.458 2.296 2.579 . 0 0 "[ . 1 . 2]" 1
590 1 111 MET H 1 112 LYS H 2.915 . 4.030 2.669 2.520 2.803 . 0 0 "[ . 1 . 2]" 1
591 1 110 LEU HB3 1 111 MET H 3.090 . 4.380 2.762 2.215 4.090 . 0 0 "[ . 1 . 2]" 1
592 1 110 LEU HB2 1 111 MET H 3.090 . 4.380 3.778 3.507 4.047 . 0 0 "[ . 1 . 2]" 1
593 1 63 ALA H 1 64 LYS H 2.755 . 3.710 2.620 2.395 2.759 . 0 0 "[ . 1 . 2]" 1
594 1 64 LYS H 1 65 GLU H 2.755 . 3.710 2.532 2.228 2.696 . 0 0 "[ . 1 . 2]" 1
595 1 64 LYS H 1 65 GLU HB2 3.650 . 5.500 4.756 4.183 5.066 . 0 0 "[ . 1 . 2]" 1
596 1 64 LYS H 1 65 GLU HB3 3.650 . 5.500 5.008 4.722 5.754 0.254 4 0 "[ . 1 . 2]" 1
597 1 63 ALA MB 1 64 LYS H 2.575 . 3.350 2.328 2.102 2.700 . 0 0 "[ . 1 . 2]" 1
598 1 46 ALA MB 1 47 CYS H 2.745 . 3.690 2.632 2.474 2.792 . 0 0 "[ . 1 . 2]" 1
599 1 41 VAL H 1 41 VAL HB 2.815 . 3.830 2.627 2.573 2.671 . 0 0 "[ . 1 . 2]" 1
600 1 52 LYS H 1 53 MET H 2.525 . 3.250 2.651 2.131 2.903 . 0 0 "[ . 1 . 2]" 1
601 1 50 PHE QD 1 52 LYS H 3.395 . 4.990 5.381 5.033 5.516 0.526 19 7 "[-** . * * . * +2]" 1
602 1 52 LYS H 1 52 LYS HB3 2.720 . 3.640 3.201 2.400 3.633 . 0 0 "[ . 1 . 2]" 1
603 1 52 LYS H 1 52 LYS HB2 2.720 . 3.640 2.489 2.331 2.703 . 0 0 "[ . 1 . 2]" 1
604 1 16 GLU H 1 17 ASN H 2.830 . 3.860 2.727 2.473 3.017 . 0 0 "[ . 1 . 2]" 1
605 1 17 ASN H 1 17 ASN HD21 2.785 . 3.770 3.698 2.674 3.812 0.042 20 0 "[ . 1 . 2]" 1
606 1 17 ASN H 1 17 ASN HD22 3.090 . 4.380 4.165 3.574 4.382 0.002 2 0 "[ . 1 . 2]" 1
607 1 61 GLU HA 1 64 LYS H 3.130 . 4.460 3.661 3.054 4.038 . 0 0 "[ . 1 . 2]" 1
608 1 17 ASN H 1 17 ASN HB3 2.625 . 3.450 3.566 3.538 3.599 0.149 3 0 "[ . 1 . 2]" 1
609 1 17 ASN H 1 17 ASN HB2 2.755 . 3.710 2.429 2.299 2.535 . 0 0 "[ . 1 . 2]" 1
610 1 56 LYS H 1 57 THR H 2.995 . 4.190 3.033 2.786 4.034 . 0 0 "[ . 1 . 2]" 1
611 1 57 THR H 1 59 MET H 3.170 . 4.540 4.224 3.975 4.343 . 0 0 "[ . 1 . 2]" 1
612 1 57 THR H 1 57 THR HB 2.510 . 3.220 3.161 2.513 3.634 0.414 10 0 "[ . 1 . 2]" 1
613 1 57 THR H 1 57 THR MG 2.800 . 3.800 2.936 2.120 3.781 . 0 0 "[ . 1 . 2]" 1
614 1 11 TRP H 1 12 ALA H 2.820 . 3.840 2.585 2.471 2.677 . 0 0 "[ . 1 . 2]" 1
615 1 9 ALA HA 1 12 ALA H 2.880 . 3.960 3.621 3.334 3.965 0.005 18 0 "[ . 1 . 2]" 1
616 1 12 ALA H 1 12 ALA MB 2.495 . 3.190 2.328 2.298 2.373 . 0 0 "[ . 1 . 2]" 1
617 1 67 TYR HA 1 71 LEU H 3.120 . 4.440 3.099 2.707 3.634 . 0 0 "[ . 1 . 2]" 1
618 1 19 LEU H 1 20 GLU H 2.805 . 3.810 2.517 2.448 2.638 . 0 0 "[ . 1 . 2]" 1
619 1 20 GLU H 1 20 GLU HG2 3.650 . 5.500 4.320 3.000 4.801 . 0 0 "[ . 1 . 2]" 1
620 1 20 GLU H 1 20 GLU HG3 3.650 . 5.500 4.393 2.768 4.672 . 0 0 "[ . 1 . 2]" 1
621 1 19 LEU HB2 1 20 GLU H 2.905 . 4.010 3.483 3.120 3.682 . 0 0 "[ . 1 . 2]" 1
622 1 19 LEU HB3 1 20 GLU H 3.080 . 4.360 4.228 3.937 4.342 . 0 0 "[ . 1 . 2]" 1
623 1 92 LEU HB3 1 93 GLU H 3.085 . 4.370 3.885 3.490 4.146 . 0 0 "[ . 1 . 2]" 1
624 1 92 LEU HB2 1 93 GLU H 3.085 . 4.370 3.103 2.444 3.418 . 0 0 "[ . 1 . 2]" 1
625 1 68 MET H 1 69 THR H 2.900 . 4.000 2.559 2.436 2.734 . 0 0 "[ . 1 . 2]" 1
626 1 69 THR H 1 70 PHE H 2.850 . 3.900 2.395 2.215 2.623 . 0 0 "[ . 1 . 2]" 1
627 1 69 THR H 1 69 THR HB 2.720 . 3.640 2.932 2.522 3.672 0.032 10 0 "[ . 1 . 2]" 1
628 1 68 MET HB3 1 69 THR H 3.055 . 4.310 3.276 2.734 4.296 . 0 0 "[ . 1 . 2]" 1
629 1 68 MET HB2 1 69 THR H 3.055 . 4.310 3.903 3.066 4.196 . 0 0 "[ . 1 . 2]" 1
630 1 69 THR H 1 69 THR MG 3.030 . 4.260 3.396 2.463 3.848 . 0 0 "[ . 1 . 2]" 1
631 1 71 LEU H 1 72 SER H 2.635 . 3.470 2.870 2.101 3.174 . 0 0 "[ . 1 . 2]" 1
632 1 68 MET HA 1 72 SER H 3.000 . 4.200 3.626 3.122 4.032 . 0 0 "[ . 1 . 2]" 1
633 1 72 SER H 1 72 SER HB3 2.735 . 3.670 3.610 2.949 3.926 0.256 7 0 "[ . 1 . 2]" 1
634 1 72 SER H 1 72 SER HB2 2.735 . 3.670 3.136 2.487 3.910 0.240 5 0 "[ . 1 . 2]" 1
635 1 71 LEU HB3 1 72 SER H 3.060 . 4.320 2.879 2.362 4.381 0.061 20 0 "[ . 1 . 2]" 1
636 1 72 SER H 1 75 ALA MB 2.900 . 4.000 4.396 3.480 5.048 1.048 4 8 "[ - +* *1** ** 2]" 1
637 1 50 PHE H 1 51 LYS H 2.915 . 4.030 2.825 2.603 3.159 . 0 0 "[ . 1 . 2]" 1
638 1 49 ASP H 1 51 LYS H 3.320 . 4.840 4.335 3.792 4.871 0.031 12 0 "[ . 1 . 2]" 1
639 1 50 PHE QD 1 51 LYS H 2.975 . 4.150 3.492 2.951 3.855 . 0 0 "[ . 1 . 2]" 1
640 1 51 LYS H 1 52 LYS H 2.865 . 3.930 2.499 2.209 2.879 . 0 0 "[ . 1 . 2]" 1
641 1 51 LYS H 1 51 LYS HB2 2.990 . 4.180 2.756 2.382 3.739 . 0 0 "[ . 1 . 2]" 1
642 1 51 LYS H 1 51 LYS HB3 2.990 . 4.180 2.489 2.167 3.240 . 0 0 "[ . 1 . 2]" 1
643 1 118 ARG HA 1 121 LYS H 3.150 . 4.500 3.480 2.886 3.887 . 0 0 "[ . 1 . 2]" 1
644 1 121 LYS H 1 121 LYS HB3 2.845 . 3.890 2.880 2.278 3.818 . 0 0 "[ . 1 . 2]" 1
645 1 121 LYS H 1 121 LYS HB2 2.845 . 3.890 2.639 2.255 3.144 . 0 0 "[ . 1 . 2]" 1
646 1 120 LEU HB3 1 121 LYS H 3.180 . 4.560 4.153 3.711 4.434 . 0 0 "[ . 1 . 2]" 1
647 1 120 LEU HB2 1 121 LYS H 3.180 . 4.560 3.315 2.549 3.906 . 0 0 "[ . 1 . 2]" 1
648 1 70 PHE H 1 71 LEU H 2.740 . 3.680 2.137 1.971 2.361 . 0 0 "[ . 1 . 2]" 1
649 1 69 THR HB 1 70 PHE H 3.025 . 4.250 3.072 2.507 3.994 . 0 0 "[ . 1 . 2]" 1
650 1 7 SER H 1 8 THR H 3.145 . 4.490 2.668 2.545 2.842 . 0 0 "[ . 1 . 2]" 1
651 1 98 LEU H 1 99 MET H 2.805 . 3.810 2.441 1.996 2.750 . 0 0 "[ . 1 . 2]" 1
652 1 34 LYS H 1 35 GLU H 2.710 . 3.620 2.442 2.236 2.608 . 0 0 "[ . 1 . 2]" 1
653 1 34 LYS HB3 1 35 GLU H 2.850 . 3.900 3.882 3.703 4.030 0.130 12 0 "[ . 1 . 2]" 1
654 1 34 LYS HB2 1 35 GLU H 2.850 . 3.900 3.031 2.449 3.950 0.050 5 0 "[ . 1 . 2]" 1
655 1 18 LEU H 1 19 LEU H 2.890 . 3.980 2.815 2.653 2.888 . 0 0 "[ . 1 . 2]" 1
656 1 18 LEU HB2 1 19 LEU H 3.110 . 4.420 3.861 3.641 4.039 . 0 0 "[ . 1 . 2]" 1
657 1 19 LEU H 1 19 LEU HB2 2.650 . 3.500 2.444 2.366 2.483 . 0 0 "[ . 1 . 2]" 1
658 1 18 LEU MD1 1 19 LEU H 3.125 . 4.450 4.205 2.503 4.525 0.075 3 0 "[ . 1 . 2]" 1
659 1 19 LEU H 1 19 LEU MD2 3.425 . 5.050 3.469 3.353 3.613 . 0 0 "[ . 1 . 2]" 1
660 1 18 LEU MD2 1 19 LEU H 3.125 . 4.450 3.899 3.108 4.469 0.019 9 0 "[ . 1 . 2]" 1
661 1 19 LEU H 1 19 LEU MD1 3.425 . 5.050 3.701 3.584 3.815 . 0 0 "[ . 1 . 2]" 1
662 1 73 SER HA 1 78 GLN HE22 3.120 . 4.440 3.175 1.943 4.456 0.016 19 0 "[ . 1 . 2]" 1
663 1 73 SER HA 1 78 GLN HE21 3.120 . 4.440 3.697 1.961 4.458 0.018 3 0 "[ . 1 . 2]" 1
664 1 36 PHE H 1 37 SER H 2.890 . 3.980 2.876 2.508 3.133 . 0 0 "[ . 1 . 2]" 1
665 1 37 SER H 1 37 SER HB3 2.980 . 4.160 3.594 2.564 4.006 . 0 0 "[ . 1 . 2]" 1
666 1 37 SER H 1 37 SER HB2 2.980 . 4.160 2.977 2.562 3.404 . 0 0 "[ . 1 . 2]" 1
667 1 36 PHE HB3 1 37 SER H 3.100 . 4.400 4.358 4.053 4.448 0.048 20 0 "[ . 1 . 2]" 1
668 1 36 PHE HB2 1 37 SER H 3.100 . 4.400 4.416 3.882 4.565 0.165 3 0 "[ . 1 . 2]" 1
669 1 57 THR HA 1 60 GLN HE22 3.165 . 4.530 3.356 2.903 4.493 . 0 0 "[ . 1 . 2]" 1
670 1 57 THR HA 1 60 GLN HE21 3.165 . 4.530 2.362 1.807 3.391 . 0 0 "[ . 1 . 2]" 1
671 1 112 LYS H 1 113 TYR H 2.975 . 4.150 2.930 2.826 3.115 . 0 0 "[ . 1 . 2]" 1
672 1 113 TYR H 1 114 ASP H 2.730 . 3.660 3.052 2.859 3.195 . 0 0 "[ . 1 . 2]" 1
673 1 113 TYR H 1 113 TYR HB3 2.680 . 3.560 2.443 2.352 2.542 . 0 0 "[ . 1 . 2]" 1
674 1 112 LYS HB3 1 113 TYR H 3.015 . 4.230 2.197 1.996 2.549 . 0 0 "[ . 1 . 2]" 1
675 1 112 LYS HB2 1 113 TYR H 3.015 . 4.230 3.652 3.505 3.920 . 0 0 "[ . 1 . 2]" 1
676 1 13 ALA H 1 17 ASN HD21 3.175 . 4.550 3.524 3.333 3.853 . 0 0 "[ . 1 . 2]" 1
677 1 17 ASN HA 1 17 ASN HD21 3.180 . 4.560 4.436 4.148 4.491 . 0 0 "[ . 1 . 2]" 1
678 1 10 LYS HA 1 17 ASN HD21 3.020 . 4.240 3.240 2.756 3.782 . 0 0 "[ . 1 . 2]" 1
679 1 13 ALA MB 1 17 ASN HD21 2.765 . 3.730 1.940 1.737 2.360 0.063 4 0 "[ . 1 . 2]" 1
680 1 10 LYS HA 1 17 ASN HD22 3.175 . 4.550 4.018 3.363 4.479 . 0 0 "[ . 1 . 2]" 1
681 1 13 ALA MB 1 17 ASN HD22 2.810 . 3.820 2.600 2.374 3.076 . 0 0 "[ . 1 . 2]" 1
682 1 117 SER H 1 118 ARG H 2.800 . 3.800 2.618 2.497 2.738 . 0 0 "[ . 1 . 2]" 1
683 1 116 TYR HB3 1 117 SER H 3.135 . 4.470 2.900 2.597 3.551 . 0 0 "[ . 1 . 2]" 1
684 1 116 TYR HB2 1 117 SER H 3.135 . 4.470 3.662 2.680 4.179 . 0 0 "[ . 1 . 2]" 1
685 1 81 VAL HA 1 106 GLN HE22 3.650 . 5.500 4.108 2.260 5.562 0.062 9 0 "[ . 1 . 2]" 1
686 1 106 GLN HA 1 106 GLN HE22 3.650 . 5.500 5.329 4.265 5.868 0.368 4 0 "[ . 1 . 2]" 1
687 1 13 ALA H 1 14 SER H 2.625 . 3.450 2.450 2.317 2.574 . 0 0 "[ . 1 . 2]" 1
688 1 14 SER H 1 18 LEU H 3.090 . 4.380 4.373 4.253 4.467 0.087 20 0 "[ . 1 . 2]" 1
689 1 14 SER H 1 17 ASN HB2 3.060 . 4.320 2.996 2.805 3.381 . 0 0 "[ . 1 . 2]" 1
690 1 13 ALA MB 1 14 SER H 2.590 . 3.380 2.452 2.273 2.622 . 0 0 "[ . 1 . 2]" 1
691 1 12 ALA MB 1 14 SER H 5.200 . 5.200 4.950 4.779 5.150 . 0 0 "[ . 1 . 2]" 1
692 1 110 LEU H 1 110 LEU HG 3.130 . 4.460 4.194 2.181 4.550 0.090 9 0 "[ . 1 . 2]" 1
693 1 86 ARG H 1 86 ARG HG2 3.460 . 5.120 3.624 2.069 4.939 . 0 0 "[ . 1 . 2]" 1
694 1 86 ARG H 1 86 ARG HG3 3.460 . 5.120 3.264 2.100 4.762 . 0 0 "[ . 1 . 2]" 1
695 1 107 ILE H 1 108 PHE H 2.870 . 3.940 2.582 2.499 2.662 . 0 0 "[ . 1 . 2]" 1
696 1 20 GLU H 1 25 VAL H 3.580 . 5.360 5.415 5.332 5.501 0.141 7 0 "[ . 1 . 2]" 1
697 1 18 LEU HA 1 25 VAL H 3.365 . 4.930 4.542 4.188 4.801 . 0 0 "[ . 1 . 2]" 1
698 1 104 GLN HA 1 107 ILE H 3.495 . 5.190 3.535 3.170 3.867 . 0 0 "[ . 1 . 2]" 1
699 1 25 VAL H 1 26 LYS QB 3.340 . 4.880 4.745 4.450 4.942 0.062 3 0 "[ . 1 . 2]" 1
700 1 107 ILE H 1 107 ILE MG 3.050 . 4.300 2.375 2.222 2.573 . 0 0 "[ . 1 . 2]" 1
701 1 25 VAL H 1 25 VAL MG1 2.995 . 4.190 3.776 3.768 3.786 . 0 0 "[ . 1 . 2]" 1
702 1 107 ILE H 1 107 ILE MD 3.145 . 4.490 3.979 3.871 4.065 . 0 0 "[ . 1 . 2]" 1
703 1 99 MET H 1 101 GLN H 2.970 . 4.140 3.906 3.580 4.223 0.083 10 0 "[ . 1 . 2]" 1
704 1 103 LEU H 1 103 LEU MD2 2.980 . 4.160 2.067 1.799 3.937 0.001 5 0 "[ . 1 . 2]" 1
705 1 80 ASN H 1 81 VAL H 3.140 . 4.480 3.905 3.353 4.217 . 0 0 "[ . 1 . 2]" 1
706 1 79 VAL H 1 81 VAL H 3.460 . 5.120 5.023 4.363 5.240 0.120 3 0 "[ . 1 . 2]" 1
707 1 60 GLN H 1 62 LYS H 2.995 . 4.190 3.962 3.765 4.220 0.030 7 0 "[ . 1 . 2]" 1
708 1 59 MET HA 1 60 GLN H 2.540 . 3.280 3.496 3.464 3.513 0.233 2 0 "[ . 1 . 2]" 1
709 1 60 GLN H 1 60 GLN HG2 2.920 . 4.040 3.507 3.280 3.665 . 0 0 "[ . 1 . 2]" 1
710 1 58 GLN HB3 1 59 MET H 2.555 . 3.310 3.397 3.339 3.466 0.156 15 0 "[ . 1 . 2]" 1
711 1 58 GLN HB2 1 59 MET H 2.555 . 3.310 2.416 2.280 2.649 . 0 0 "[ . 1 . 2]" 1
712 1 60 GLN H 1 63 ALA MB 3.435 . 5.070 4.622 4.422 4.806 . 0 0 "[ . 1 . 2]" 1
713 1 60 GLN H 1 61 GLU H 2.750 . 3.700 2.733 2.618 2.894 . 0 0 "[ . 1 . 2]" 1
714 1 112 LYS H 1 112 LYS HB3 2.825 . 3.850 2.550 2.371 2.639 . 0 0 "[ . 1 . 2]" 1
715 1 112 LYS H 1 112 LYS HB2 2.825 . 3.850 2.506 2.370 2.621 . 0 0 "[ . 1 . 2]" 1
716 1 105 ASP H 1 105 ASP HB3 2.750 . 3.700 2.662 2.412 3.615 . 0 0 "[ . 1 . 2]" 1
717 1 86 ARG H 1 86 ARG HB2 2.980 . 4.160 2.787 2.380 3.843 . 0 0 "[ . 1 . 2]" 1
718 1 104 GLN H 1 104 GLN HB2 2.820 . 3.840 2.646 2.385 3.634 . 0 0 "[ . 1 . 2]" 1
719 1 79 VAL H 1 80 ASN H 3.335 . 4.870 4.553 4.301 4.656 . 0 0 "[ . 1 . 2]" 1
720 1 79 VAL H 1 79 VAL MG1 3.050 . 4.300 2.320 1.830 3.947 . 0 0 "[ . 1 . 2]" 1
721 1 79 VAL H 1 79 VAL MG2 3.050 . 4.300 3.479 1.827 3.991 . 0 0 "[ . 1 . 2]" 1
722 1 67 TYR QE 1 72 SER H 3.245 . 4.690 3.798 3.132 4.870 0.180 20 0 "[ . 1 . 2]" 1
723 1 70 PHE H 1 72 SER H 3.270 . 4.740 4.536 3.469 4.807 0.067 3 0 "[ . 1 . 2]" 1
724 1 103 LEU H 1 105 ASP H 3.305 . 4.810 4.105 3.869 4.493 . 0 0 "[ . 1 . 2]" 1
725 1 81 VAL MG1 1 106 GLN HE22 3.650 . 5.500 3.776 1.815 5.545 0.045 8 0 "[ . 1 . 2]" 1
726 1 81 VAL MG2 1 106 GLN HE22 3.650 . 5.500 4.142 2.430 5.515 0.015 5 0 "[ . 1 . 2]" 1
727 1 81 VAL MG1 1 106 GLN HE21 3.650 . 5.500 3.697 2.602 4.790 . 0 0 "[ . 1 . 2]" 1
728 1 81 VAL MG2 1 106 GLN HE21 3.650 . 5.500 4.188 3.383 5.107 . 0 0 "[ . 1 . 2]" 1
729 1 81 VAL HA 1 106 GLN HE21 3.650 . 5.500 4.297 2.758 5.544 0.044 11 0 "[ . 1 . 2]" 1
730 1 106 GLN HA 1 106 GLN HE21 3.650 . 5.500 4.584 3.986 5.065 . 0 0 "[ . 1 . 2]" 1
731 1 3 GLN HA 1 3 GLN QG 2.765 . 3.730 2.749 2.336 3.512 . 0 0 "[ . 1 . 2]" 1
732 1 3 GLN HA 1 27 ARG QD 2.930 . 4.060 4.686 2.186 5.581 1.521 20 13 "[* ** ** * *-*** *+]" 1
733 1 3 GLN QB 1 4 SER H 2.820 . 3.840 3.401 2.356 3.980 0.140 15 0 "[ . 1 . 2]" 1
734 1 3 GLN QE 1 3 GLN QG 2.485 . 3.170 2.266 2.126 2.690 . 0 0 "[ . 1 . 2]" 1
735 1 4 SER HA 1 27 ARG QD 3.430 . 5.060 5.008 4.466 5.291 0.231 18 0 "[ . 1 . 2]" 1
736 1 5 LEU HA 1 5 LEU QD 4.000 . 4.000 2.293 1.922 3.462 . 0 0 "[ . 1 . 2]" 1
737 1 5 LEU QB 1 6 LYS H 3.120 . 4.440 1.760 1.656 2.023 0.144 5 0 "[ . 1 . 2]" 1
738 1 5 LEU QB 1 6 LYS HA 2.930 . 4.060 4.100 3.548 4.242 0.182 13 0 "[ . 1 . 2]" 1
739 1 5 LEU QD 1 6 LYS HA 3.165 . 4.530 3.808 2.638 4.799 0.269 1 0 "[ . 1 . 2]" 1
740 1 5 LEU QD 1 6 LYS QB 3.010 . 4.220 3.344 2.290 4.294 0.074 1 0 "[ . 1 . 2]" 1
741 1 6 LYS H 1 6 LYS QD 3.510 . 5.220 4.245 3.680 4.698 . 0 0 "[ . 1 . 2]" 1
742 1 6 LYS HA 1 6 LYS QG 2.550 . 3.300 2.598 2.369 3.350 0.050 14 0 "[ . 1 . 2]" 1
743 1 6 LYS HA 1 10 LYS QG 4.500 . 4.500 4.494 4.203 4.605 0.105 10 0 "[ . 1 . 2]" 1
744 1 6 LYS QB 1 6 LYS QD 2.565 . 3.330 2.171 2.110 2.412 . 0 0 "[ . 1 . 2]" 1
745 1 10 LYS QB 1 11 TRP H 2.770 . 3.740 2.139 1.960 2.312 . 0 0 "[ . 1 . 2]" 1
746 1 10 LYS QB 1 11 TRP HD1 2.985 . 4.170 3.350 2.900 3.736 . 0 0 "[ . 1 . 2]" 1
747 1 10 LYS QB 1 11 TRP HE3 3.185 . 4.570 4.790 4.720 4.893 0.323 8 0 "[ . 1 . 2]" 1
748 1 11 TRP HZ2 1 23 GLU HA 5.000 . 5.000 4.714 4.309 5.088 0.088 7 0 "[ . 1 . 2]" 1
749 1 11 TRP HZ2 1 23 GLU QB 2.795 . 3.790 2.139 1.794 2.613 0.006 5 0 "[ . 1 . 2]" 1
750 1 11 TRP HZ2 1 23 GLU QG 3.050 . 4.300 3.969 3.397 4.322 0.022 8 0 "[ . 1 . 2]" 1
751 1 12 ALA MB 1 120 LEU QD 2.585 . 3.370 2.132 1.833 2.513 . 0 0 "[ . 1 . 2]" 1
752 1 14 SER QB 1 15 LEU H 2.740 . 3.680 3.238 2.753 3.690 0.010 19 0 "[ . 1 . 2]" 1
753 1 15 LEU H 1 15 LEU QB 2.675 . 3.550 2.225 2.199 2.245 . 0 0 "[ . 1 . 2]" 1
754 1 15 LEU H 1 15 LEU QD 3.170 . 4.540 3.716 3.677 3.751 . 0 0 "[ . 1 . 2]" 1
755 1 15 LEU HA 1 15 LEU QD 2.805 . 3.810 2.129 2.044 2.224 . 0 0 "[ . 1 . 2]" 1
756 1 15 LEU HA 1 18 LEU QD 3.110 . 4.420 3.027 2.255 3.281 . 0 0 "[ . 1 . 2]" 1
757 1 15 LEU QB 1 16 GLU H 2.985 . 4.170 2.796 2.742 2.859 . 0 0 "[ . 1 . 2]" 1
758 1 15 LEU HG 1 19 LEU QD 5.000 . 5.000 2.397 2.199 2.675 . 0 0 "[ . 1 . 2]" 1
759 1 15 LEU QD 1 19 LEU QD 2.950 . 4.100 2.371 2.123 2.704 . 0 0 "[ . 1 . 2]" 1
760 1 15 LEU QD 1 111 MET ME 4.500 . 4.500 3.265 1.778 4.252 . 0 0 "[ . 1 . 2]" 1
761 1 15 LEU QD 1 116 TYR QD 3.100 . 4.400 2.640 2.129 3.688 . 0 0 "[ . 1 . 2]" 1
762 1 15 LEU QD 1 116 TYR QE 2.810 . 3.820 3.162 1.780 3.843 0.023 20 0 "[ . 1 . 2]" 1
763 1 16 GLU H 1 16 GLU QB 2.660 . 3.520 2.419 2.211 2.759 . 0 0 "[ . 1 . 2]" 1
764 1 16 GLU H 1 16 GLU QG 2.910 . 4.020 2.747 1.845 3.998 . 0 0 "[ . 1 . 2]" 1
765 1 16 GLU QB 1 17 ASN H 2.720 . 3.640 2.479 2.125 3.420 . 0 0 "[ . 1 . 2]" 1
766 1 16 GLU QG 1 17 ASN H 3.090 . 4.380 3.800 2.032 4.413 0.033 5 0 "[ . 1 . 2]" 1
767 1 18 LEU H 1 18 LEU QD 4.600 . 4.600 3.717 3.098 3.775 . 0 0 "[ . 1 . 2]" 1
768 1 18 LEU HA 1 18 LEU QD 2.810 . 3.820 2.543 2.149 3.402 . 0 0 "[ . 1 . 2]" 1
769 1 18 LEU HA 1 25 VAL QG 3.145 . 4.490 4.311 4.189 4.542 0.052 6 0 "[ . 1 . 2]" 1
770 1 18 LEU QB 1 19 LEU H 2.840 . 3.880 2.557 2.367 3.651 . 0 0 "[ . 1 . 2]" 1
771 1 18 LEU QB 1 19 LEU QD 3.440 . 5.080 3.602 3.349 4.378 . 0 0 "[ . 1 . 2]" 1
772 1 18 LEU QB 1 24 GLY QA 3.225 . 4.650 4.304 2.517 4.727 0.077 7 0 "[ . 1 . 2]" 1
773 1 18 LEU QD 1 19 LEU H 2.840 . 3.880 3.479 2.487 3.871 . 0 0 "[ . 1 . 2]" 1
774 1 18 LEU QD 1 19 LEU HA 3.040 . 4.280 3.453 2.648 3.963 . 0 0 "[ . 1 . 2]" 1
775 1 18 LEU QD 1 19 LEU QD 2.920 . 4.040 2.716 2.144 3.243 . 0 0 "[ . 1 . 2]" 1
776 1 18 LEU QD 1 24 GLY QA 2.910 . 4.020 2.818 2.289 3.654 . 0 0 "[ . 1 . 2]" 1
777 1 18 LEU QD 1 25 VAL HA 3.015 . 4.230 2.822 2.328 3.134 . 0 0 "[ . 1 . 2]" 1
778 1 18 LEU QD 1 25 VAL QG 2.405 . 3.010 3.038 2.566 3.227 0.217 4 0 "[ . 1 . 2]" 1
779 1 18 LEU QD 1 28 PHE HB2 3.080 . 4.360 1.994 1.703 2.485 0.097 16 0 "[ . 1 . 2]" 1
780 1 18 LEU QD 1 28 PHE HB3 3.090 . 4.380 2.640 2.147 3.038 . 0 0 "[ . 1 . 2]" 1
781 1 18 LEU QD 1 28 PHE QE 2.675 . 3.550 3.038 2.786 3.368 . 0 0 "[ . 1 . 2]" 1
782 1 18 LEU QD 1 28 PHE HZ 3.025 . 4.250 3.670 3.367 4.249 . 0 0 "[ . 1 . 2]" 1
783 1 18 LEU QD 1 116 TYR QE 2.770 . 3.740 3.168 2.167 3.765 0.025 7 0 "[ . 1 . 2]" 1
784 1 19 LEU H 1 19 LEU QD 2.875 . 3.950 3.181 3.105 3.264 . 0 0 "[ . 1 . 2]" 1
785 1 19 LEU H 1 25 VAL QG 3.315 . 4.830 4.167 3.995 4.491 . 0 0 "[ . 1 . 2]" 1
786 1 19 LEU HA 1 19 LEU QD 2.810 . 3.820 2.013 1.946 2.060 . 0 0 "[ . 1 . 2]" 1
787 1 19 LEU HA 1 25 VAL QG 2.660 . 3.520 2.032 1.798 2.348 0.002 13 0 "[ . 1 . 2]" 1
788 1 19 LEU HG 1 25 VAL QG 3.440 . 5.080 4.370 4.060 4.673 . 0 0 "[ . 1 . 2]" 1
789 1 19 LEU QD 1 25 VAL QG 2.790 . 3.780 2.579 2.182 2.948 . 0 0 "[ . 1 . 2]" 1
790 1 19 LEU QD 1 44 TRP HZ3 3.035 . 4.270 3.131 2.722 3.658 . 0 0 "[ . 1 . 2]" 1
791 1 19 LEU QD 1 44 TRP HH2 2.905 . 4.010 3.214 2.887 3.861 . 0 0 "[ . 1 . 2]" 1
792 1 19 LEU QD 1 108 PHE QD 3.180 . 4.560 2.783 2.261 3.197 . 0 0 "[ . 1 . 2]" 1
793 1 19 LEU QD 1 111 MET ME 2.750 . 3.700 2.646 1.911 3.418 . 0 0 "[ . 1 . 2]" 1
794 1 20 GLU H 1 20 GLU QB 2.465 . 3.130 2.363 2.269 2.510 . 0 0 "[ . 1 . 2]" 1
795 1 20 GLU H 1 20 GLU QG 3.260 . 4.720 3.841 2.701 4.112 . 0 0 "[ . 1 . 2]" 1
796 1 20 GLU H 1 25 VAL QG 3.220 . 4.640 3.800 3.571 4.057 . 0 0 "[ . 1 . 2]" 1
797 1 20 GLU HA 1 20 GLU QG 2.705 . 3.610 2.540 2.362 3.013 . 0 0 "[ . 1 . 2]" 1
798 1 20 GLU QB 1 21 ASP H 2.830 . 3.860 2.446 2.016 3.035 . 0 0 "[ . 1 . 2]" 1
799 1 20 GLU QG 1 21 ASP H 2.995 . 4.190 3.582 2.977 4.206 0.016 5 0 "[ . 1 . 2]" 1
800 1 21 ASP H 1 21 ASP QB 2.545 . 3.290 2.354 2.240 2.486 . 0 0 "[ . 1 . 2]" 1
801 1 22 PRO HA 1 25 VAL QG 3.305 . 4.810 3.205 2.636 3.784 . 0 0 "[ . 1 . 2]" 1
802 1 22 PRO HA 1 26 LYS QE 3.095 . 4.390 3.620 3.029 4.365 . 0 0 "[ . 1 . 2]" 1
803 1 22 PRO QB 1 26 LYS QE 3.170 . 4.540 4.101 3.352 4.575 0.035 12 0 "[ . 1 . 2]" 1
804 1 23 GLU H 1 23 GLU QB 2.495 . 3.190 2.440 2.113 2.581 . 0 0 "[ . 1 . 2]" 1
805 1 23 GLU H 1 24 GLY QA 3.495 . 5.190 4.534 4.402 4.617 . 0 0 "[ . 1 . 2]" 1
806 1 24 GLY H 1 25 VAL QG 3.160 . 4.520 4.095 3.846 4.305 . 0 0 "[ . 1 . 2]" 1
807 1 25 VAL H 1 25 VAL QG 2.485 . 3.170 1.950 1.874 2.068 . 0 0 "[ . 1 . 2]" 1
808 1 25 VAL H 1 26 LYS QE 3.310 . 4.820 4.615 3.897 4.878 0.058 18 0 "[ . 1 . 2]" 1
809 1 25 VAL HA 1 26 LYS QE 3.300 . 4.800 4.759 4.252 4.995 0.195 10 0 "[ . 1 . 2]" 1
810 1 25 VAL HB 1 26 LYS QE 2.740 . 3.680 2.583 2.249 3.078 . 0 0 "[ . 1 . 2]" 1
811 1 25 VAL QG 1 26 LYS H 2.740 . 3.680 3.325 3.228 3.387 . 0 0 "[ . 1 . 2]" 1
812 1 25 VAL QG 1 26 LYS QD 3.030 . 4.260 3.302 2.512 4.266 0.006 16 0 "[ . 1 . 2]" 1
813 1 25 VAL QG 1 26 LYS QE 2.780 . 3.760 2.549 2.360 2.947 . 0 0 "[ . 1 . 2]" 1
814 1 25 VAL QG 1 28 PHE QD 2.990 . 4.180 3.313 2.834 3.631 . 0 0 "[ . 1 . 2]" 1
815 1 25 VAL QG 1 28 PHE QE 3.215 . 4.630 4.583 4.032 4.716 0.086 3 0 "[ . 1 . 2]" 1
816 1 25 VAL QG 1 29 ARG QB 3.370 . 4.940 3.152 2.773 3.457 . 0 0 "[ . 1 . 2]" 1
817 1 25 VAL QG 1 29 ARG QD 2.945 . 4.090 3.882 3.458 4.204 0.114 14 0 "[ . 1 . 2]" 1
818 1 25 VAL QG 1 45 LEU QB 3.425 . 5.050 4.029 3.589 4.312 . 0 0 "[ . 1 . 2]" 1
819 1 25 VAL QG 1 45 LEU QD 2.300 . 2.800 1.820 1.604 2.127 0.196 18 0 "[ . 1 . 2]" 1
820 1 26 LYS H 1 26 LYS QG 2.910 . 4.020 3.233 2.159 3.813 . 0 0 "[ . 1 . 2]" 1
821 1 26 LYS H 1 26 LYS QD 3.230 . 4.660 2.705 1.833 3.889 . 0 0 "[ . 1 . 2]" 1
822 1 26 LYS H 1 26 LYS QE 3.010 . 4.220 3.318 2.160 4.005 . 0 0 "[ . 1 . 2]" 1
823 1 26 LYS HA 1 26 LYS QD 2.995 . 4.190 2.643 1.745 3.540 0.055 3 0 "[ . 1 . 2]" 1
824 1 26 LYS HA 1 26 LYS QE 2.865 . 3.930 2.978 2.009 3.663 . 0 0 "[ . 1 . 2]" 1
825 1 26 LYS QE 1 45 LEU QD 3.130 . 4.460 3.692 2.610 4.480 0.020 17 0 "[ . 1 . 2]" 1
826 1 27 ARG H 1 27 ARG QD 3.205 . 4.610 3.917 3.610 4.299 . 0 0 "[ . 1 . 2]" 1
827 1 27 ARG HA 1 27 ARG QG 2.605 . 3.410 2.418 2.243 2.871 . 0 0 "[ . 1 . 2]" 1
828 1 27 ARG HA 1 27 ARG QD 2.915 . 4.030 4.022 3.033 4.219 0.189 12 0 "[ . 1 . 2]" 1
829 1 27 ARG HA 1 30 GLU QB 2.770 . 3.740 3.274 1.930 3.868 0.128 13 0 "[ . 1 . 2]" 1
830 1 27 ARG HA 1 30 GLU QG 2.520 . 3.240 2.138 1.772 3.200 0.028 5 0 "[ . 1 . 2]" 1
831 1 27 ARG HA 1 124 LEU QD 2.715 . 3.630 3.686 2.856 4.347 0.717 13 4 "[- . *1 + . * 2]" 1
832 1 27 ARG HB3 1 30 GLU QG 3.600 . 3.600 3.951 3.379 4.375 0.775 14 7 "[- *. * * +* * 2]" 1
833 1 27 ARG HB3 1 124 LEU QD 2.575 . 3.350 2.808 1.852 3.404 0.054 18 0 "[ . 1 . 2]" 1
834 1 27 ARG QG 1 124 LEU QD 3.245 . 4.690 3.766 2.386 4.773 0.083 11 0 "[ . 1 . 2]" 1
835 1 28 PHE QE 1 32 LEU QD 2.970 . 4.140 2.644 2.449 2.799 . 0 0 "[ . 1 . 2]" 1
836 1 29 ARG H 1 29 ARG QG 3.065 . 4.330 3.976 3.947 3.998 . 0 0 "[ . 1 . 2]" 1
837 1 29 ARG H 1 29 ARG QD 3.165 . 4.530 4.531 4.280 4.692 0.162 1 0 "[ . 1 . 2]" 1
838 1 29 ARG H 1 41 VAL QG 3.615 . 5.430 3.447 3.173 3.949 . 0 0 "[ . 1 . 2]" 1
839 1 29 ARG HA 1 41 VAL QG 2.990 . 4.180 2.046 1.732 2.584 0.068 19 0 "[ . 1 . 2]" 1
840 1 29 ARG QG 1 30 GLU H 3.520 . 5.240 3.497 3.186 3.771 . 0 0 "[ . 1 . 2]" 1
841 1 29 ARG QG 1 41 VAL QG 2.910 . 4.020 2.239 1.790 3.691 0.010 8 0 "[ . 1 . 2]" 1
842 1 29 ARG QG 1 45 LEU HG 5.000 3.800 6.200 6.182 5.488 6.324 0.124 4 0 "[ . 1 . 2]" 1
843 1 29 ARG QG 1 45 LEU QD 5.975 4.800 7.150 4.791 4.576 5.736 0.224 14 0 "[ . 1 . 2]" 1
844 1 29 ARG QD 1 41 VAL QG 3.140 . 4.480 3.196 2.367 3.597 . 0 0 "[ . 1 . 2]" 1
845 1 29 ARG HD2 1 42 LEU HG 3.115 . 4.430 3.869 3.057 4.473 0.043 5 0 "[ . 1 . 2]" 1
846 1 29 ARG QD 1 42 LEU QD 3.115 . 4.430 2.726 2.049 3.922 . 0 0 "[ . 1 . 2]" 1
847 1 29 ARG QD 1 45 LEU QB 4.440 2.800 6.080 5.524 4.301 6.135 0.055 18 0 "[ . 1 . 2]" 1
848 1 30 GLU H 1 30 GLU QG 2.715 . 3.630 2.363 1.836 3.778 0.148 4 0 "[ . 1 . 2]" 1
849 1 30 GLU H 1 33 LYS QB 3.570 . 5.340 4.346 3.973 4.843 . 0 0 "[ . 1 . 2]" 1
850 1 30 GLU HA 1 33 LYS QB 2.575 . 3.350 2.167 1.897 2.425 . 0 0 "[ . 1 . 2]" 1
851 1 30 GLU HA 1 33 LYS QD 2.860 . 3.920 2.666 1.818 3.375 . 0 0 "[ . 1 . 2]" 1
852 1 30 GLU QB 1 30 GLU QG 2.080 . 2.360 2.041 1.973 2.090 . 0 0 "[ . 1 . 2]" 1
853 1 30 GLU QB 1 33 LYS QB 3.235 . 4.670 3.630 3.252 3.979 . 0 0 "[ . 1 . 2]" 1
854 1 30 GLU QB 1 33 LYS QD 2.920 . 4.040 3.583 3.060 4.124 0.084 12 0 "[ . 1 . 2]" 1
855 1 30 GLU QB 1 33 LYS QE 3.130 . 4.460 4.146 2.771 4.672 0.212 1 0 "[ . 1 . 2]" 1
856 1 30 GLU QG 1 31 PHE H 2.920 . 4.040 2.745 1.995 3.919 . 0 0 "[ . 1 . 2]" 1
857 1 30 GLU QG 1 124 LEU QD 3.180 . 4.560 3.198 2.099 4.588 0.028 18 0 "[ . 1 . 2]" 1
858 1 31 PHE H 1 31 PHE QB 2.610 . 3.420 2.255 2.206 2.297 . 0 0 "[ . 1 . 2]" 1
859 1 31 PHE HA 1 124 LEU QD 3.620 . 5.440 3.087 1.797 3.969 0.003 10 0 "[ . 1 . 2]" 1
860 1 31 PHE QB 1 32 LEU H 2.765 . 3.730 2.299 2.105 2.482 . 0 0 "[ . 1 . 2]" 1
861 1 31 PHE QB 1 124 LEU QD 3.150 . 4.500 2.353 1.702 3.381 0.098 18 0 "[ . 1 . 2]" 1
862 1 31 PHE QD 1 32 LEU QD 3.400 . 5.000 2.376 1.793 2.989 0.007 3 0 "[ . 1 . 2]" 1
863 1 31 PHE QD 1 124 LEU QD 3.380 . 4.960 2.526 1.746 3.481 0.054 12 0 "[ . 1 . 2]" 1
864 1 31 PHE QE 1 124 LEU QD 3.320 . 4.840 3.719 2.393 4.761 . 0 0 "[ . 1 . 2]" 1
865 1 32 LEU H 1 32 LEU QB 2.735 . 3.670 2.420 2.330 3.136 . 0 0 "[ . 1 . 2]" 1
866 1 32 LEU H 1 32 LEU QD 2.840 . 3.880 3.004 1.624 3.185 0.176 13 0 "[ . 1 . 2]" 1
867 1 32 LEU H 1 41 VAL QG 3.590 . 5.380 4.363 3.974 4.972 . 0 0 "[ . 1 . 2]" 1
868 1 32 LEU HA 1 32 LEU QD 2.615 . 3.430 1.976 1.871 2.932 . 0 0 "[ . 1 . 2]" 1
869 1 32 LEU QB 1 33 LYS H 2.825 . 3.850 3.019 2.712 3.852 0.002 13 0 "[ . 1 . 2]" 1
870 1 32 LEU QB 1 41 VAL QG 3.215 . 4.630 2.768 2.321 4.398 . 0 0 "[ . 1 . 2]" 1
871 1 32 LEU QB 1 119 PHE QD 2.920 . 4.040 6.052 5.745 6.158 2.118 6 20 [*****+******-*******] 1
872 1 32 LEU HG 1 40 ASN QD 3.235 . 4.670 4.665 4.122 4.753 0.083 12 0 "[ . 1 . 2]" 1
873 1 32 LEU QD 1 41 VAL H 2.980 . 4.160 2.910 2.480 4.173 0.013 13 0 "[ . 1 . 2]" 1
874 1 32 LEU QD 1 41 VAL HB 2.900 . 4.000 1.894 1.747 3.037 0.053 7 0 "[ . 1 . 2]" 1
875 1 32 LEU QD 1 41 VAL QG 2.700 . 3.600 2.523 2.297 2.745 . 0 0 "[ . 1 . 2]" 1
876 1 33 LYS H 1 33 LYS QB 2.470 . 3.140 2.247 2.096 2.451 . 0 0 "[ . 1 . 2]" 1
877 1 33 LYS H 1 33 LYS QD 3.210 . 4.620 4.385 3.650 4.725 0.105 8 0 "[ . 1 . 2]" 1
878 1 33 LYS H 1 34 LYS QG 3.545 . 5.290 4.135 3.576 4.640 . 0 0 "[ . 1 . 2]" 1
879 1 33 LYS QB 1 33 LYS QD 2.510 . 3.220 2.268 2.074 2.419 . 0 0 "[ . 1 . 2]" 1
880 1 33 LYS QB 1 34 LYS H 2.365 . 2.930 2.501 2.186 2.788 . 0 0 "[ . 1 . 2]" 1
881 1 34 LYS H 1 34 LYS QG 2.555 . 3.310 2.184 1.976 2.620 . 0 0 "[ . 1 . 2]" 1
882 1 34 LYS HA 1 34 LYS QG 2.700 . 3.600 2.821 2.222 3.376 . 0 0 "[ . 1 . 2]" 1
883 1 34 LYS QB 1 35 GLU H 2.605 . 3.410 2.902 2.416 3.546 0.136 11 0 "[ . 1 . 2]" 1
884 1 35 GLU H 1 35 GLU QB 2.650 . 3.500 2.300 2.146 2.503 . 0 0 "[ . 1 . 2]" 1
885 1 35 GLU QB 1 36 PHE H 2.640 . 3.480 3.271 2.934 3.553 0.073 3 0 "[ . 1 . 2]" 1
886 1 35 GLU QB 1 36 PHE QD 4.700 . 9.400 5.583 4.679 6.213 . 0 0 "[ . 1 . 2]" 1
887 1 35 GLU QB 1 37 SER H 3.035 . 4.270 3.886 2.715 4.469 0.199 3 0 "[ . 1 . 2]" 1
888 1 37 SER QB 1 38 GLU H 2.975 . 4.150 3.757 3.614 3.847 . 0 0 "[ . 1 . 2]" 1
889 1 38 GLU QB 1 39 GLU H 2.880 . 3.960 3.132 2.557 3.679 . 0 0 "[ . 1 . 2]" 1
890 1 39 GLU HA 1 42 LEU QD 2.960 . 4.120 3.496 3.032 4.082 . 0 0 "[ . 1 . 2]" 1
891 1 39 GLU HA 1 70 PHE QB 3.390 . 4.980 3.680 2.906 4.288 . 0 0 "[ . 1 . 2]" 1
892 1 39 GLU QB 1 40 ASN H 3.075 . 4.350 2.715 2.422 3.540 . 0 0 "[ . 1 . 2]" 1
893 1 39 GLU QB 1 79 VAL QG 2.955 . 4.110 3.152 1.868 4.167 0.057 18 0 "[ . 1 . 2]" 1
894 1 40 ASN H 1 40 ASN QD 3.315 . 4.830 4.239 3.555 4.475 . 0 0 "[ . 1 . 2]" 1
895 1 40 ASN HA 1 79 VAL QG 3.000 . 4.200 2.473 1.854 3.561 . 0 0 "[ . 1 . 2]" 1
896 1 40 ASN QB 1 41 VAL H 2.925 . 4.050 2.482 2.181 3.531 . 0 0 "[ . 1 . 2]" 1
897 1 40 ASN QB 1 79 VAL QG 3.255 . 4.710 2.276 1.798 3.222 0.002 2 0 "[ . 1 . 2]" 1
898 1 41 VAL H 1 41 VAL QG 2.735 . 3.670 2.038 1.963 2.147 . 0 0 "[ . 1 . 2]" 1
899 1 41 VAL QG 1 42 LEU H 2.770 . 3.740 2.050 1.924 2.163 . 0 0 "[ . 1 . 2]" 1
900 1 41 VAL QG 1 42 LEU HA 2.930 . 4.060 3.041 2.975 3.076 . 0 0 "[ . 1 . 2]" 1
901 1 41 VAL QG 1 42 LEU QB 2.930 . 4.060 3.346 2.820 3.480 . 0 0 "[ . 1 . 2]" 1
902 1 41 VAL QG 1 42 LEU QD 2.735 . 3.670 2.905 2.780 3.821 0.151 16 0 "[ . 1 . 2]" 1
903 1 42 LEU H 1 42 LEU QB 2.605 . 3.410 2.291 2.138 2.357 . 0 0 "[ . 1 . 2]" 1
904 1 42 LEU H 1 42 LEU QD 2.955 . 4.110 3.313 3.209 3.777 . 0 0 "[ . 1 . 2]" 1
905 1 42 LEU HA 1 42 LEU QD 2.640 . 3.480 1.933 1.842 2.496 . 0 0 "[ . 1 . 2]" 1
906 1 42 LEU HA 1 45 LEU QB 3.360 . 4.920 2.628 2.289 2.794 . 0 0 "[ . 1 . 2]" 1
907 1 42 LEU HA 1 45 LEU QD 3.340 . 4.880 3.110 2.765 3.733 . 0 0 "[ . 1 . 2]" 1
908 1 42 LEU QB 1 43 PHE H 2.825 . 3.850 2.792 2.607 2.916 . 0 0 "[ . 1 . 2]" 1
909 1 42 LEU QB 1 46 ALA MB 3.050 . 4.300 3.596 3.429 4.248 . 0 0 "[ . 1 . 2]" 1
910 1 42 LEU QD 1 46 ALA MB 2.820 . 3.840 3.872 2.405 3.997 0.157 19 0 "[ . 1 . 2]" 1
911 1 42 LEU QD 1 66 ILE MG 3.440 . 5.080 5.292 4.130 5.676 0.596 8 3 "[ . + 1 *- . 2]" 1
912 1 43 PHE QB 1 44 TRP H 2.815 . 3.830 2.512 2.381 2.633 . 0 0 "[ . 1 . 2]" 1
913 1 43 PHE QB 1 107 ILE MG 3.300 . 4.800 3.718 3.259 4.108 . 0 0 "[ . 1 . 2]" 1
914 1 43 PHE QB 1 107 ILE MD 3.215 . 4.630 4.065 3.251 4.676 0.046 7 0 "[ . 1 . 2]" 1
915 1 44 TRP QB 1 111 MET ME 2.840 . 3.880 2.220 1.764 3.051 0.036 13 0 "[ . 1 . 2]" 1
916 1 44 TRP HD1 1 104 GLN QG 2.975 . 4.150 3.031 2.196 4.180 0.030 20 0 "[ . 1 . 2]" 1
917 1 44 TRP HD1 1 111 MET QB 5.500 . 5.500 4.697 4.249 5.163 . 0 0 "[ . 1 . 2]" 1
918 1 44 TRP HE3 1 45 LEU QD 2.795 . 3.790 1.777 1.752 1.800 0.048 6 0 "[ . 1 . 2]" 1
919 1 44 TRP HE1 1 108 PHE QB 2.900 . 4.000 2.498 1.856 3.005 . 0 0 "[ . 1 . 2]" 1
920 1 44 TRP HZ3 1 45 LEU QD 3.620 . 5.440 2.495 2.251 2.850 . 0 0 "[ . 1 . 2]" 1
921 1 45 LEU H 1 45 LEU QB 2.735 . 3.670 2.419 2.269 2.526 . 0 0 "[ . 1 . 2]" 1
922 1 45 LEU H 1 45 LEU QD 2.750 . 3.700 2.687 2.025 3.019 . 0 0 "[ . 1 . 2]" 1
923 1 45 LEU HA 1 45 LEU QD 2.590 . 3.380 1.943 1.864 2.028 . 0 0 "[ . 1 . 2]" 1
924 1 45 LEU QB 1 46 ALA H 2.630 . 3.460 2.588 2.300 2.883 . 0 0 "[ . 1 . 2]" 1
925 1 45 LEU QB 1 46 ALA MB 2.965 . 4.130 3.742 3.576 3.998 . 0 0 "[ . 1 . 2]" 1
926 1 45 LEU QD 1 46 ALA H 3.320 . 4.840 4.009 3.847 4.165 . 0 0 "[ . 1 . 2]" 1
927 1 46 ALA HA 1 49 ASP QB 2.925 . 4.050 2.743 2.338 3.091 . 0 0 "[ . 1 . 2]" 1
928 1 48 GLU H 1 48 GLU QB 2.625 . 3.450 2.226 2.111 2.334 . 0 0 "[ . 1 . 2]" 1
929 1 48 GLU QB 1 49 ASP H 2.660 . 3.520 2.266 2.119 2.528 . 0 0 "[ . 1 . 2]" 1
930 1 48 GLU QB 1 49 ASP HA 2.985 . 4.170 4.040 3.754 4.217 0.047 1 0 "[ . 1 . 2]" 1
931 1 49 ASP H 1 49 ASP QB 2.600 . 3.400 2.248 2.193 2.452 . 0 0 "[ . 1 . 2]" 1
932 1 49 ASP QB 1 50 PHE H 2.920 . 4.040 2.608 2.294 2.881 . 0 0 "[ . 1 . 2]" 1
933 1 50 PHE H 1 50 PHE QB 2.530 . 3.260 2.166 2.083 2.215 . 0 0 "[ . 1 . 2]" 1
934 1 50 PHE QB 1 51 LYS H 2.810 . 3.820 2.341 1.949 2.670 . 0 0 "[ . 1 . 2]" 1
935 1 50 PHE QB 1 66 ILE MD 3.140 . 4.480 3.221 2.890 3.846 . 0 0 "[ . 1 . 2]" 1
936 1 50 PHE QE 1 59 MET QG 2.800 . 3.800 2.445 1.925 2.984 . 0 0 "[ . 1 . 2]" 1
937 1 50 PHE QE 1 62 LYS QB 2.965 . 4.130 2.323 1.944 2.859 . 0 0 "[ . 1 . 2]" 1
938 1 51 LYS H 1 51 LYS QB 2.695 . 3.590 2.292 2.080 3.055 . 0 0 "[ . 1 . 2]" 1
939 1 51 LYS H 1 51 LYS QG 2.885 . 3.970 3.776 1.941 4.073 0.103 8 0 "[ . 1 . 2]" 1
940 1 51 LYS H 1 51 LYS QD 3.175 . 4.550 4.004 1.979 4.383 . 0 0 "[ . 1 . 2]" 1
941 1 51 LYS HA 1 51 LYS QG 2.755 . 3.710 2.658 2.377 3.476 . 0 0 "[ . 1 . 2]" 1
942 1 51 LYS QG 1 98 LEU QD 3.050 . 4.300 3.606 2.221 4.333 0.033 12 0 "[ . 1 . 2]" 1
943 1 51 LYS QD 1 52 LYS H 2.755 . 3.710 3.429 2.574 3.778 0.068 20 0 "[ . 1 . 2]" 1
944 1 51 LYS QD 1 52 LYS HA 2.920 . 4.040 3.085 2.509 4.142 0.102 16 0 "[ . 1 . 2]" 1
945 1 52 LYS H 1 52 LYS QB 2.425 . 3.050 2.349 2.175 2.604 . 0 0 "[ . 1 . 2]" 1
946 1 52 LYS H 1 52 LYS QG 2.800 . 3.800 2.923 2.149 3.988 0.188 15 0 "[ . 1 . 2]" 1
947 1 52 LYS H 1 52 LYS QE 3.285 . 4.770 4.249 3.440 4.844 0.074 16 0 "[ . 1 . 2]" 1
948 1 52 LYS HA 1 52 LYS QG 2.700 . 3.600 2.558 2.366 3.147 . 0 0 "[ . 1 . 2]" 1
949 1 52 LYS HA 1 52 LYS QD 3.125 . 4.450 3.592 2.018 4.264 . 0 0 "[ . 1 . 2]" 1
950 1 52 LYS HA 1 52 LYS QE 3.360 . 4.920 4.272 3.785 4.962 0.042 8 0 "[ . 1 . 2]" 1
951 1 52 LYS QB 1 52 LYS QE 2.690 . 3.580 2.634 1.808 3.839 0.259 9 0 "[ . 1 . 2]" 1
952 1 52 LYS QB 1 53 MET H 2.510 . 3.220 2.616 2.114 3.083 . 0 0 "[ . 1 . 2]" 1
953 1 53 MET H 1 53 MET QB 2.530 . 3.260 2.999 2.751 3.175 . 0 0 "[ . 1 . 2]" 1
954 1 53 MET H 1 53 MET QG 2.520 . 3.240 2.319 1.921 2.651 . 0 0 "[ . 1 . 2]" 1
955 1 53 MET HA 1 53 MET QG 2.695 . 3.590 3.401 3.346 3.503 . 0 0 "[ . 1 . 2]" 1
956 1 53 MET QB 1 54 GLN H 2.990 . 4.180 2.970 1.810 4.067 . 0 0 "[ . 1 . 2]" 1
957 1 54 GLN HA 1 54 GLN QG 2.730 . 3.660 2.914 2.381 3.436 . 0 0 "[ . 1 . 2]" 1
958 1 54 GLN QB 1 55 ASP H 2.990 . 4.180 3.368 2.284 3.839 . 0 0 "[ . 1 . 2]" 1
959 1 54 GLN QB 1 58 GLN QB 2.930 . 4.060 3.386 1.920 4.198 0.138 7 0 "[ . 1 . 2]" 1
960 1 54 GLN QB 1 59 MET H 3.005 . 4.210 3.462 2.764 4.207 . 0 0 "[ . 1 . 2]" 1
961 1 55 ASP H 1 58 GLN QB 3.085 . 4.370 2.343 1.778 2.781 0.022 11 0 "[ . 1 . 2]" 1
962 1 56 LYS H 1 56 LYS QB 2.710 . 3.620 2.311 2.121 3.066 . 0 0 "[ . 1 . 2]" 1
963 1 56 LYS HA 1 56 LYS QD 2.835 . 3.870 2.938 1.942 4.050 0.180 5 0 "[ . 1 . 2]" 1
964 1 56 LYS QB 1 57 THR H 2.685 . 3.570 2.362 1.932 2.845 . 0 0 "[ . 1 . 2]" 1
965 1 56 LYS QD 1 60 GLN QG 3.210 . 4.620 3.619 2.203 4.719 0.099 5 0 "[ . 1 . 2]" 1
966 1 56 LYS QE 1 60 GLN QG 2.970 . 4.140 3.461 2.386 4.231 0.091 10 0 "[ . 1 . 2]" 1
967 1 56 LYS QE 1 60 GLN QE 3.025 . 4.250 3.290 2.108 4.382 0.132 16 0 "[ . 1 . 2]" 1
968 1 57 THR HA 1 60 GLN QE 2.855 . 3.910 2.311 1.799 3.297 0.001 8 0 "[ . 1 . 2]" 1
969 1 58 GLN H 1 58 GLN QB 2.450 . 3.100 2.422 2.306 2.508 . 0 0 "[ . 1 . 2]" 1
970 1 58 GLN H 1 58 GLN QG 2.840 . 3.880 2.264 2.021 3.283 . 0 0 "[ . 1 . 2]" 1
971 1 58 GLN QB 1 58 GLN QE 2.985 . 4.170 2.872 1.815 3.734 . 0 0 "[ . 1 . 2]" 1
972 1 58 GLN QB 1 59 MET H 2.320 . 2.840 2.366 2.247 2.557 . 0 0 "[ . 1 . 2]" 1
973 1 59 MET H 1 59 MET QB 2.635 . 3.470 2.213 2.137 2.246 . 0 0 "[ . 1 . 2]" 1
974 1 59 MET HA 1 59 MET QG 2.660 . 3.520 2.467 2.390 2.536 . 0 0 "[ . 1 . 2]" 1
975 1 59 MET QB 1 60 GLN H 2.790 . 3.780 2.539 2.336 2.709 . 0 0 "[ . 1 . 2]" 1
976 1 59 MET QB 1 60 GLN QG 3.075 . 4.350 3.277 2.987 3.511 . 0 0 "[ . 1 . 2]" 1
977 1 60 GLN H 1 60 GLN QB 2.545 . 3.290 2.428 2.381 2.497 . 0 0 "[ . 1 . 2]" 1
978 1 60 GLN H 1 60 GLN QG 2.585 . 3.370 2.295 2.159 2.401 . 0 0 "[ . 1 . 2]" 1
979 1 60 GLN QB 1 61 GLU H 2.330 . 2.860 2.372 2.188 2.554 . 0 0 "[ . 1 . 2]" 1
980 1 60 GLN QE 1 60 GLN QG 2.445 . 3.090 2.489 2.179 2.706 . 0 0 "[ . 1 . 2]" 1
981 1 61 GLU H 1 61 GLU QG 2.675 . 3.550 2.228 1.931 3.500 . 0 0 "[ . 1 . 2]" 1
982 1 61 GLU HA 1 61 GLU QG 2.600 . 3.400 2.708 2.319 3.141 . 0 0 "[ . 1 . 2]" 1
983 1 61 GLU HA 1 64 LYS QG 2.685 . 3.570 2.891 2.140 3.689 0.119 13 0 "[ . 1 . 2]" 1
984 1 61 GLU HA 1 64 LYS QD 3.080 . 4.360 2.110 1.787 2.637 0.013 18 0 "[ . 1 . 2]" 1
985 1 61 GLU QB 1 62 LYS H 2.470 . 3.140 2.677 2.338 3.024 . 0 0 "[ . 1 . 2]" 1
986 1 61 GLU QB 1 64 LYS QG 3.490 . 5.180 4.386 3.559 5.220 0.040 4 0 "[ . 1 . 2]" 1
987 1 61 GLU QB 1 64 LYS QD 3.115 . 4.430 3.782 3.249 4.362 . 0 0 "[ . 1 . 2]" 1
988 1 62 LYS H 1 62 LYS QB 2.565 . 3.330 2.294 2.073 2.465 . 0 0 "[ . 1 . 2]" 1
989 1 62 LYS HA 1 65 GLU QG 2.950 . 4.100 3.679 2.890 4.139 0.039 11 0 "[ . 1 . 2]" 1
990 1 62 LYS QB 1 63 ALA MB 3.020 . 4.240 4.111 3.928 4.353 0.113 15 0 "[ . 1 . 2]" 1
991 1 63 ALA H 1 64 LYS QD 3.335 . 4.870 4.969 4.917 5.065 0.195 13 0 "[ . 1 . 2]" 1
992 1 63 ALA HA 1 64 LYS QG 5.500 . 6.310 5.061 4.855 6.142 . 0 0 "[ . 1 . 2]" 1
993 1 63 ALA MB 1 92 LEU QD 2.765 . 3.730 2.892 1.884 3.769 0.039 5 0 "[ . 1 . 2]" 1
994 1 63 ALA MB 1 99 MET QG 2.950 . 4.100 3.816 2.264 4.244 0.144 9 0 "[ . 1 . 2]" 1
995 1 64 LYS H 1 64 LYS QG 2.965 . 4.130 2.097 1.759 3.554 0.041 18 0 "[ . 1 . 2]" 1
996 1 64 LYS H 1 65 GLU QB 3.285 . 4.770 4.287 4.082 4.441 . 0 0 "[ . 1 . 2]" 1
997 1 64 LYS H 1 92 LEU QD 3.360 . 4.920 3.962 2.928 4.993 0.073 15 0 "[ . 1 . 2]" 1
998 1 64 LYS HA 1 92 LEU QD 2.790 . 3.780 2.736 1.840 3.718 . 0 0 "[ . 1 . 2]" 1
999 1 64 LYS QB 1 64 LYS QD 2.540 . 3.280 2.175 2.098 2.344 . 0 0 "[ . 1 . 2]" 1
1000 1 64 LYS QB 1 65 GLU H 2.625 . 3.450 3.025 2.356 3.543 0.093 20 0 "[ . 1 . 2]" 1
1001 1 64 LYS QG 1 65 GLU H 3.050 . 4.300 2.988 2.059 3.995 . 0 0 "[ . 1 . 2]" 1
1002 1 64 LYS QD 1 65 GLU H 3.315 . 4.830 4.244 3.845 4.537 . 0 0 "[ . 1 . 2]" 1
1003 1 65 GLU H 1 65 GLU QB 2.600 . 3.400 2.256 2.220 2.344 . 0 0 "[ . 1 . 2]" 1
1004 1 65 GLU QB 1 66 ILE H 2.865 . 3.930 2.127 1.952 2.273 . 0 0 "[ . 1 . 2]" 1
1005 1 67 TYR H 1 92 LEU QD 3.475 . 5.150 4.342 3.974 5.057 . 0 0 "[ . 1 . 2]" 1
1006 1 67 TYR HA 1 71 LEU QD 3.315 . 4.830 2.307 1.795 3.121 0.005 13 0 "[ . 1 . 2]" 1
1007 1 67 TYR HA 1 87 LEU QD 3.160 . 4.520 4.116 3.194 4.589 0.069 20 0 "[ . 1 . 2]" 1
1008 1 67 TYR QB 1 68 MET H 2.810 . 3.820 2.424 2.214 2.610 . 0 0 "[ . 1 . 2]" 1
1009 1 67 TYR QD 1 71 LEU QD 2.990 . 4.180 2.416 2.071 3.177 . 0 0 "[ . 1 . 2]" 1
1010 1 67 TYR QD 1 87 LEU QD 3.125 . 4.450 2.465 1.923 3.157 . 0 0 "[ . 1 . 2]" 1
1011 1 67 TYR QD 1 92 LEU QD 2.760 . 3.720 2.733 1.988 3.192 . 0 0 "[ . 1 . 2]" 1
1012 1 67 TYR QE 1 71 LEU QD 2.965 . 4.130 3.374 2.314 4.166 0.036 18 0 "[ . 1 . 2]" 1
1013 1 67 TYR QE 1 92 LEU QD 2.975 . 4.150 3.145 2.693 3.570 . 0 0 "[ . 1 . 2]" 1
1014 1 68 MET H 1 68 MET QB 2.685 . 3.570 2.295 2.208 2.452 . 0 0 "[ . 1 . 2]" 1
1015 1 68 MET H 1 68 MET QG 3.130 . 4.460 3.586 2.274 4.068 . 0 0 "[ . 1 . 2]" 1
1016 1 70 PHE HA 1 70 PHE QB 2.225 . 2.650 2.345 2.314 2.366 . 0 0 "[ . 1 . 2]" 1
1017 1 70 PHE QB 1 71 LEU H 2.950 . 4.100 2.781 2.439 3.182 . 0 0 "[ . 1 . 2]" 1
1018 1 71 LEU HA 1 71 LEU QD 2.780 . 3.760 2.345 1.958 3.048 . 0 0 "[ . 1 . 2]" 1
1019 1 71 LEU QD 1 72 SER H 3.165 . 4.530 3.622 3.323 4.454 . 0 0 "[ . 1 . 2]" 1
1020 1 71 LEU QD 1 81 VAL QG 2.805 . 3.810 2.599 1.638 4.088 0.278 11 0 "[ . 1 . 2]" 1
1021 1 72 SER QB 1 73 SER H 3.120 . 4.440 2.584 1.759 3.756 0.041 17 0 "[ . 1 . 2]" 1
1022 1 74 LYS H 1 74 LYS QB 2.510 . 3.220 2.827 2.328 3.385 0.165 3 0 "[ . 1 . 2]" 1
1023 1 74 LYS HA 1 74 LYS QG 2.725 . 3.650 2.571 2.338 3.370 . 0 0 "[ . 1 . 2]" 1
1024 1 74 LYS QB 1 75 ALA MB 3.565 . 5.330 4.076 3.242 4.569 . 0 0 "[ . 1 . 2]" 1
1025 1 75 ALA MB 1 78 GLN QB 3.080 . 4.360 3.487 2.203 4.195 . 0 0 "[ . 1 . 2]" 1
1026 1 76 SER QB 1 77 SER H 2.795 . 3.790 3.317 2.637 3.983 0.193 13 0 "[ . 1 . 2]" 1
1027 1 77 SER H 1 77 SER QB 2.740 . 3.680 3.133 2.776 3.468 . 0 0 "[ . 1 . 2]" 1
1028 1 78 GLN H 1 78 GLN QB 2.570 . 3.340 2.792 2.239 3.127 . 0 0 "[ . 1 . 2]" 1
1029 1 78 GLN QB 1 79 VAL H 2.595 . 3.390 3.079 1.801 3.721 0.331 6 0 "[ . 1 . 2]" 1
1030 1 78 GLN QE 1 78 GLN QG 2.500 . 3.200 2.406 2.113 2.702 . 0 0 "[ . 1 . 2]" 1
1031 1 79 VAL H 1 79 VAL QG 2.690 . 3.580 1.980 1.823 2.791 . 0 0 "[ . 1 . 2]" 1
1032 1 79 VAL HB 1 81 VAL QG 3.280 . 4.760 3.753 2.253 4.477 . 0 0 "[ . 1 . 2]" 1
1033 1 79 VAL QG 1 80 ASN H 2.840 . 3.880 2.173 1.943 2.335 . 0 0 "[ . 1 . 2]" 1
1034 1 79 VAL QG 1 81 VAL QG 2.375 . 2.950 1.894 1.664 2.456 0.136 12 0 "[ . 1 . 2]" 1
1035 1 80 ASN H 1 80 ASN QB 2.580 . 3.360 2.416 2.262 2.802 . 0 0 "[ . 1 . 2]" 1
1036 1 80 ASN QB 1 80 ASN QD 2.500 . 3.200 2.167 2.134 2.208 . 0 0 "[ . 1 . 2]" 1
1037 1 81 VAL H 1 81 VAL QG 2.670 . 3.540 1.962 1.816 2.271 . 0 0 "[ . 1 . 2]" 1
1038 1 81 VAL QG 1 82 GLU H 2.945 . 4.090 3.298 2.065 3.764 . 0 0 "[ . 1 . 2]" 1
1039 1 81 VAL QG 1 106 GLN QE 2.990 . 4.180 2.936 1.789 4.005 0.011 2 0 "[ . 1 . 2]" 1
1040 1 81 VAL QG 1 107 ILE HA 3.410 . 5.020 3.360 2.798 4.221 . 0 0 "[ . 1 . 2]" 1
1041 1 81 VAL QG 1 107 ILE HB 3.350 . 4.900 3.164 2.307 4.214 . 0 0 "[ . 1 . 2]" 1
1042 1 81 VAL QG 1 107 ILE MD 2.655 . 3.510 2.049 1.771 2.640 0.029 15 0 "[ . 1 . 2]" 1
1043 1 81 VAL QG 1 110 LEU QB 3.480 . 5.160 3.788 2.808 5.222 0.062 17 0 "[ . 1 . 2]" 1
1044 1 81 VAL QG 1 110 LEU HG 3.620 . 5.440 3.512 1.822 4.447 . 0 0 "[ . 1 . 2]" 1
1045 1 81 VAL QG 1 110 LEU QD 2.840 . 3.880 3.233 2.227 4.017 0.137 3 0 "[ . 1 . 2]" 1
1046 1 82 GLU H 1 82 GLU QB 2.485 . 3.170 2.552 2.196 3.012 . 0 0 "[ . 1 . 2]" 1
1047 1 82 GLU H 1 82 GLU QG 2.855 . 3.910 2.397 1.887 3.942 0.032 1 0 "[ . 1 . 2]" 1
1048 1 82 GLU HA 1 82 GLU QG 2.740 . 3.680 2.756 2.364 3.405 . 0 0 "[ . 1 . 2]" 1
1049 1 82 GLU HA 1 83 GLY QA 3.065 . 4.330 4.050 3.862 4.435 0.105 13 0 "[ . 1 . 2]" 1
1050 1 82 GLU QB 1 106 GLN QE 3.235 . 4.670 4.055 2.788 4.689 0.019 4 0 "[ . 1 . 2]" 1
1051 1 84 GLN QB 1 84 GLN QE 3.075 . 4.350 2.938 1.811 3.719 . 0 0 "[ . 1 . 2]" 1
1052 1 86 ARG H 1 86 ARG QB 2.620 . 3.440 2.553 2.240 3.153 . 0 0 "[ . 1 . 2]" 1
1053 1 86 ARG H 1 86 ARG QG 3.035 . 4.270 2.864 2.052 4.291 0.021 20 0 "[ . 1 . 2]" 1
1054 1 86 ARG QB 1 86 ARG QD 2.555 . 3.310 2.325 2.108 2.828 . 0 0 "[ . 1 . 2]" 1
1055 1 86 ARG QB 1 87 LEU H 2.485 . 3.170 2.780 1.769 3.312 0.142 2 0 "[ . 1 . 2]" 1
1056 1 87 LEU H 1 87 LEU QD 3.080 . 4.360 2.185 1.759 3.092 0.041 2 0 "[ . 1 . 2]" 1
1057 1 87 LEU HA 1 87 LEU QD 2.480 . 3.160 2.582 1.939 3.142 . 0 0 "[ . 1 . 2]" 1
1058 1 87 LEU HB3 1 92 LEU QD 3.155 . 4.510 2.265 1.784 3.039 0.016 14 0 "[ . 1 . 2]" 1
1059 1 87 LEU QD 1 88 ASN H 3.150 . 4.500 3.885 3.209 4.474 . 0 0 "[ . 1 . 2]" 1
1060 1 87 LEU QD 1 91 ILE HB 3.620 . 5.440 4.710 4.091 5.238 . 0 0 "[ . 1 . 2]" 1
1061 1 87 LEU QD 1 91 ILE MD 2.665 . 3.530 2.801 1.962 3.554 0.024 13 0 "[ . 1 . 2]" 1
1062 1 87 LEU QD 1 92 LEU QD 3.330 . 4.860 2.382 1.753 3.024 0.047 18 0 "[ . 1 . 2]" 1
1063 1 87 LEU QD 1 99 MET ME 2.950 . 4.100 2.514 1.921 4.247 0.147 16 0 "[ . 1 . 2]" 1
1064 1 87 LEU MD1 1 100 PHE QE 3.180 . 4.560 2.969 2.198 3.705 . 0 0 "[ . 1 . 2]" 1
1065 1 87 LEU QD 1 103 LEU QD 2.630 . 3.460 2.097 1.750 2.537 0.050 4 0 "[ . 1 . 2]" 1
1066 1 88 ASN H 1 88 ASN QB 2.665 . 3.530 2.718 2.393 3.379 . 0 0 "[ . 1 . 2]" 1
1067 1 88 ASN QB 1 88 ASN QD 2.510 . 3.220 2.230 2.131 2.700 . 0 0 "[ . 1 . 2]" 1
1068 1 88 ASN QB 1 89 GLU H 2.580 . 3.360 2.575 1.841 3.575 0.215 8 0 "[ . 1 . 2]" 1
1069 1 89 GLU H 1 89 GLU QB 2.660 . 3.520 2.701 2.216 3.397 . 0 0 "[ . 1 . 2]" 1
1070 1 89 GLU H 1 89 GLU QG 3.195 . 4.590 2.676 1.840 3.990 . 0 0 "[ . 1 . 2]" 1
1071 1 89 GLU QB 1 90 LYS H 2.935 . 4.070 3.058 1.841 3.942 . 0 0 "[ . 1 . 2]" 1
1072 1 89 GLU QG 1 90 LYS H 3.315 . 4.830 4.059 2.093 4.570 . 0 0 "[ . 1 . 2]" 1
1073 1 90 LYS H 1 90 LYS QB 2.415 . 3.030 2.804 2.318 3.244 0.214 15 0 "[ . 1 . 2]" 1
1074 1 90 LYS H 1 90 LYS QG 2.725 . 3.650 2.535 1.940 3.382 . 0 0 "[ . 1 . 2]" 1
1075 1 90 LYS H 1 90 LYS QE 3.010 . 4.220 4.053 3.055 4.528 0.308 19 0 "[ . 1 . 2]" 1
1076 1 90 LYS HA 1 90 LYS QD 3.240 . 4.680 3.607 1.863 4.232 . 0 0 "[ . 1 . 2]" 1
1077 1 90 LYS HA 1 90 LYS QE 3.375 . 4.950 4.400 3.413 4.729 . 0 0 "[ . 1 . 2]" 1
1078 1 91 ILE H 1 91 ILE QG 2.920 . 4.040 4.020 3.959 4.160 0.120 2 0 "[ . 1 . 2]" 1
1079 1 91 ILE HA 1 91 ILE QG 2.765 . 3.730 2.370 2.290 2.485 . 0 0 "[ . 1 . 2]" 1
1080 1 91 ILE MG 1 92 LEU QD 2.770 . 3.740 1.826 1.736 2.644 0.064 7 0 "[ . 1 . 2]" 1
1081 1 91 ILE QG 1 92 LEU H 2.945 . 4.090 4.000 3.175 4.145 0.055 4 0 "[ . 1 . 2]" 1
1082 1 91 ILE QG 1 99 MET ME 2.910 . 4.020 2.123 1.775 2.877 0.025 11 0 "[ . 1 . 2]" 1
1083 1 91 ILE MD 1 92 LEU QD 3.220 . 4.640 3.740 2.712 4.356 . 0 0 "[ . 1 . 2]" 1
1084 1 91 ILE MD 1 99 MET QB 3.060 . 4.320 2.815 1.749 3.989 0.051 17 0 "[ . 1 . 2]" 1
1085 1 92 LEU H 1 92 LEU QB 2.620 . 3.440 2.374 2.207 2.520 . 0 0 "[ . 1 . 2]" 1
1086 1 92 LEU H 1 92 LEU QD 2.730 . 3.660 2.110 1.790 3.067 0.010 2 0 "[ . 1 . 2]" 1
1087 1 92 LEU HA 1 92 LEU QD 2.690 . 3.580 2.145 1.870 2.942 . 0 0 "[ . 1 . 2]" 1
1088 1 92 LEU QB 1 93 GLU H 2.790 . 3.780 2.981 2.399 3.247 . 0 0 "[ . 1 . 2]" 1
1089 1 92 LEU QB 1 93 GLU QG 2.730 . 3.660 3.465 2.813 3.823 0.163 2 0 "[ . 1 . 2]" 1
1090 1 92 LEU QD 1 99 MET ME 2.700 . 3.600 2.472 1.774 3.584 0.026 19 0 "[ . 1 . 2]" 1
1091 1 93 GLU H 1 93 GLU QB 2.520 . 3.240 2.447 2.365 2.595 . 0 0 "[ . 1 . 2]" 1
1092 1 93 GLU H 1 93 GLU QG 2.865 . 3.930 2.251 1.776 2.456 0.024 2 0 "[ . 1 . 2]" 1
1093 1 93 GLU HA 1 93 GLU QG 2.645 . 3.490 2.592 2.369 3.064 . 0 0 "[ . 1 . 2]" 1
1094 1 93 GLU QB 1 94 GLU H 2.660 . 3.520 2.808 2.059 3.288 . 0 0 "[ . 1 . 2]" 1
1095 1 94 GLU H 1 94 GLU QG 3.195 . 4.590 3.257 2.296 4.193 . 0 0 "[ . 1 . 2]" 1
1096 1 94 GLU HA 1 94 GLU QG 2.725 . 3.650 2.613 2.339 3.359 . 0 0 "[ . 1 . 2]" 1
1097 1 95 PRO QB 1 96 HIS H 2.525 . 3.250 3.098 2.360 3.291 0.041 2 0 "[ . 1 . 2]" 1
1098 1 95 PRO QB 1 99 MET ME 2.785 . 3.770 3.091 1.938 3.790 0.020 18 0 "[ . 1 . 2]" 1
1099 1 96 HIS QB 1 96 HIS HD2 2.605 . 3.410 2.865 2.683 3.093 . 0 0 "[ . 1 . 2]" 1
1100 1 97 PRO QB 1 98 LEU H 2.705 . 3.610 3.142 2.572 3.614 0.004 10 0 "[ . 1 . 2]" 1
1101 1 98 LEU H 1 98 LEU QB 2.640 . 3.480 2.501 2.438 2.649 . 0 0 "[ . 1 . 2]" 1
1102 1 98 LEU H 1 98 LEU QD 3.035 . 4.270 3.225 2.898 3.583 . 0 0 "[ . 1 . 2]" 1
1103 1 98 LEU HA 1 98 LEU QD 2.645 . 3.490 2.028 1.979 2.114 . 0 0 "[ . 1 . 2]" 1
1104 1 98 LEU QB 1 98 LEU QD 2.300 . 2.800 1.968 1.961 1.978 . 0 0 "[ . 1 . 2]" 1
1105 1 98 LEU QB 1 99 MET H 3.060 . 4.320 3.177 2.073 3.731 . 0 0 "[ . 1 . 2]" 1
1106 1 98 LEU QD 1 99 MET H 3.305 . 4.810 4.265 3.822 4.401 . 0 0 "[ . 1 . 2]" 1
1107 1 98 LEU QD 1 101 GLN QE 3.195 . 4.590 3.699 2.656 4.519 . 0 0 "[ . 1 . 2]" 1
1108 1 99 MET HA 1 103 LEU QD 3.345 . 4.890 4.376 3.610 4.921 0.031 6 0 "[ . 1 . 2]" 1
1109 1 99 MET QB 1 103 LEU QD 2.960 . 4.120 4.251 3.196 4.730 0.610 5 3 "[ +- 1 . *2]" 1
1110 1 99 MET QG 1 100 PHE H 3.400 . 5.000 2.539 1.748 4.031 0.052 16 0 "[ . 1 . 2]" 1
1111 1 99 MET ME 1 103 LEU QD 3.445 . 5.090 4.188 2.507 5.225 0.135 6 0 "[ . 1 . 2]" 1
1112 1 100 PHE H 1 100 PHE QB 2.700 . 3.600 2.315 2.164 2.450 . 0 0 "[ . 1 . 2]" 1
1113 1 100 PHE H 1 101 GLN QB 3.245 . 4.690 4.323 3.756 4.713 0.023 10 0 "[ . 1 . 2]" 1
1114 1 100 PHE H 1 101 GLN QE 2.885 . 3.970 3.654 2.950 4.042 0.072 16 0 "[ . 1 . 2]" 1
1115 1 100 PHE HA 1 101 GLN QE 3.500 . 5.200 4.686 3.514 5.335 0.135 19 0 "[ . 1 . 2]" 1
1116 1 100 PHE HA 1 103 LEU QB 2.965 . 4.130 2.554 1.935 2.970 . 0 0 "[ . 1 . 2]" 1
1117 1 100 PHE HA 1 103 LEU QD 2.945 . 4.090 2.106 1.766 2.852 0.034 20 0 "[ . 1 . 2]" 1
1118 1 100 PHE QB 1 101 GLN QE 3.000 . 4.200 3.293 2.593 4.529 0.329 6 0 "[ . 1 . 2]" 1
1119 1 101 GLN H 1 101 GLN QB 2.480 . 3.160 2.284 2.050 2.624 . 0 0 "[ . 1 . 2]" 1
1120 1 101 GLN H 1 101 GLN QG 2.810 . 3.820 3.257 2.298 4.017 0.197 15 0 "[ . 1 . 2]" 1
1121 1 101 GLN H 1 101 GLN QE 2.620 . 3.440 2.595 1.699 3.086 0.101 6 0 "[ . 1 . 2]" 1
1122 1 101 GLN HA 1 101 GLN QE 3.205 . 4.610 2.551 2.219 3.619 . 0 0 "[ . 1 . 2]" 1
1123 1 101 GLN QB 1 101 GLN QG 2.055 . 2.310 1.997 1.979 2.013 . 0 0 "[ . 1 . 2]" 1
1124 1 101 GLN QB 1 102 LYS H 2.875 . 3.950 2.815 2.341 3.771 . 0 0 "[ . 1 . 2]" 1
1125 1 101 GLN QB 1 102 LYS QB 3.280 . 4.760 4.477 4.041 4.895 0.135 6 0 "[ . 1 . 2]" 1
1126 1 101 GLN QE 1 101 GLN QG 2.415 . 3.030 2.441 2.178 2.715 . 0 0 "[ . 1 . 2]" 1
1127 1 102 LYS H 1 102 LYS QB 2.555 . 3.310 2.542 2.202 3.449 0.139 5 0 "[ . 1 . 2]" 1
1128 1 102 LYS H 1 102 LYS QG 3.010 . 4.220 2.660 2.033 4.236 0.016 4 0 "[ . 1 . 2]" 1
1129 1 102 LYS HA 1 105 ASP QB 2.840 . 3.880 2.749 1.968 3.231 . 0 0 "[ . 1 . 2]" 1
1130 1 102 LYS QB 1 103 LEU H 2.445 . 3.090 2.536 2.242 3.010 . 0 0 "[ . 1 . 2]" 1
1131 1 103 LEU H 1 103 LEU QB 2.685 . 3.570 2.342 2.236 2.419 . 0 0 "[ . 1 . 2]" 1
1132 1 103 LEU H 1 103 LEU QD 2.715 . 3.630 1.967 1.791 2.271 0.009 5 0 "[ . 1 . 2]" 1
1133 1 103 LEU HA 1 103 LEU QD 2.535 . 3.270 1.965 1.870 2.648 . 0 0 "[ . 1 . 2]" 1
1134 1 103 LEU HA 1 106 GLN QB 3.045 . 4.290 2.429 2.103 2.910 . 0 0 "[ . 1 . 2]" 1
1135 1 103 LEU QB 1 104 GLN H 2.775 . 3.750 2.724 2.303 2.952 . 0 0 "[ . 1 . 2]" 1
1136 1 104 GLN H 1 104 GLN QG 2.775 . 3.750 3.595 2.152 3.950 0.200 18 0 "[ . 1 . 2]" 1
1137 1 104 GLN QB 1 105 ASP H 2.890 . 3.980 2.603 2.307 3.548 . 0 0 "[ . 1 . 2]" 1
1138 1 104 GLN QB 1 107 ILE MG 2.825 . 3.850 3.699 3.038 3.997 0.147 6 0 "[ . 1 . 2]" 1
1139 1 104 GLN QG 1 105 ASP H 2.875 . 3.950 3.484 2.290 3.970 0.020 20 0 "[ . 1 . 2]" 1
1140 1 105 ASP H 1 105 ASP QB 2.495 . 3.190 2.289 2.219 2.496 . 0 0 "[ . 1 . 2]" 1
1141 1 105 ASP QB 1 106 GLN H 2.585 . 3.370 2.503 2.292 2.703 . 0 0 "[ . 1 . 2]" 1
1142 1 106 GLN H 1 106 GLN QB 2.515 . 3.230 2.264 2.141 2.521 . 0 0 "[ . 1 . 2]" 1
1143 1 106 GLN HA 1 106 GLN QG 2.680 . 3.560 2.437 2.300 2.722 . 0 0 "[ . 1 . 2]" 1
1144 1 106 GLN HA 1 109 ASN QB 2.830 . 3.860 3.212 2.853 3.737 . 0 0 "[ . 1 . 2]" 1
1145 1 106 GLN HA 1 109 ASN QD 3.195 . 4.590 3.529 2.330 4.616 0.026 7 0 "[ . 1 . 2]" 1
1146 1 106 GLN QB 1 106 GLN QE 2.875 . 3.950 2.379 1.732 3.473 0.068 6 0 "[ . 1 . 2]" 1
1147 1 106 GLN QB 1 107 ILE H 2.590 . 3.380 2.363 2.208 2.531 . 0 0 "[ . 1 . 2]" 1
1148 1 107 ILE HA 1 110 LEU QD 3.210 . 4.620 3.448 2.187 3.886 . 0 0 "[ . 1 . 2]" 1
1149 1 107 ILE HB 1 110 LEU QD 3.620 . 5.440 4.919 3.519 5.360 . 0 0 "[ . 1 . 2]" 1
1150 1 107 ILE MG 1 110 LEU MD1 5.000 . 5.000 5.193 4.376 5.522 0.522 14 2 "[ . 1 +. -2]" 1
1151 1 107 ILE MG 1 111 MET QB 2.735 . 3.670 3.462 3.237 3.677 0.007 17 0 "[ . 1 . 2]" 1
1152 1 107 ILE MG 1 111 MET QG 4.600 . 4.600 4.733 4.611 4.798 0.198 6 0 "[ . 1 . 2]" 1
1153 1 107 ILE HG13 1 110 LEU QD 3.095 . 4.390 3.865 2.778 4.391 0.001 19 0 "[ . 1 . 2]" 1
1154 1 107 ILE HG13 1 111 MET QG 2.855 . 3.910 3.907 3.330 4.028 0.118 6 0 "[ . 1 . 2]" 1
1155 1 107 ILE MD 1 110 LEU QD 2.765 . 3.730 2.271 1.715 2.819 0.085 13 0 "[ . 1 . 2]" 1
1156 1 108 PHE H 1 108 PHE QB 2.740 . 3.680 2.260 2.243 2.283 . 0 0 "[ . 1 . 2]" 1
1157 1 108 PHE HA 1 111 MET QB 3.005 . 4.210 2.732 2.260 3.270 . 0 0 "[ . 1 . 2]" 1
1158 1 108 PHE QB 1 109 ASN H 2.850 . 3.900 2.458 2.226 2.598 . 0 0 "[ . 1 . 2]" 1
1159 1 109 ASN H 1 109 ASN QB 2.655 . 3.510 2.347 2.190 2.487 . 0 0 "[ . 1 . 2]" 1
1160 1 109 ASN QB 1 109 ASN QD 2.485 . 3.170 2.181 2.117 2.671 . 0 0 "[ . 1 . 2]" 1
1161 1 109 ASN QB 1 110 LEU H 2.755 . 3.710 2.463 2.293 2.689 . 0 0 "[ . 1 . 2]" 1
1162 1 110 LEU H 1 110 LEU QB 2.460 . 3.120 2.231 2.122 2.595 . 0 0 "[ . 1 . 2]" 1
1163 1 110 LEU H 1 110 LEU QD 2.915 . 4.030 3.552 3.016 3.666 . 0 0 "[ . 1 . 2]" 1
1164 1 110 LEU HA 1 110 LEU QD 2.775 . 3.750 2.184 1.890 3.411 . 0 0 "[ . 1 . 2]" 1
1165 1 110 LEU QB 1 111 MET H 2.790 . 3.780 2.660 2.196 3.624 . 0 0 "[ . 1 . 2]" 1
1166 1 110 LEU QD 1 111 MET H 3.130 . 4.460 3.185 2.604 3.462 . 0 0 "[ . 1 . 2]" 1
1167 1 110 LEU QD 1 111 MET HA 3.115 . 4.430 2.929 2.515 3.230 . 0 0 "[ . 1 . 2]" 1
1168 1 111 MET QB 1 111 MET ME 2.375 . 2.950 2.003 1.864 2.083 . 0 0 "[ . 1 . 2]" 1
1169 1 111 MET QB 1 112 LYS H 2.850 . 3.900 2.497 2.214 2.860 . 0 0 "[ . 1 . 2]" 1
1170 1 112 LYS QB 1 113 TYR H 2.700 . 3.600 2.180 1.985 2.518 . 0 0 "[ . 1 . 2]" 1
1171 1 113 TYR HB3 1 114 ASP QB 3.325 . 4.850 3.722 3.500 3.872 . 0 0 "[ . 1 . 2]" 1
1172 1 113 TYR QD 1 114 ASP QB 3.050 . 4.300 2.695 2.350 3.101 . 0 0 "[ . 1 . 2]" 1
1173 1 113 TYR QE 1 114 ASP QB 2.960 . 4.120 3.899 3.340 4.171 0.051 3 0 "[ . 1 . 2]" 1
1174 1 114 ASP QB 1 115 SER H 2.860 . 3.920 2.236 1.970 2.433 . 0 0 "[ . 1 . 2]" 1
1175 1 114 ASP QB 1 115 SER HA 3.550 . 5.300 4.066 3.922 4.203 . 0 0 "[ . 1 . 2]" 1
1176 1 116 TYR H 1 116 TYR QB 2.620 . 3.440 2.261 2.163 2.329 . 0 0 "[ . 1 . 2]" 1
1177 1 116 TYR QB 1 117 SER H 2.810 . 3.820 2.702 2.515 2.928 . 0 0 "[ . 1 . 2]" 1
1178 1 116 TYR QE 1 120 LEU QD 2.865 . 3.930 2.747 2.130 3.901 . 0 0 "[ . 1 . 2]" 1
1179 1 117 SER H 1 117 SER QB 2.580 . 3.360 2.455 2.248 2.662 . 0 0 "[ . 1 . 2]" 1
1180 1 117 SER HA 1 120 LEU QD 2.855 . 3.910 3.346 2.718 3.972 0.062 3 0 "[ . 1 . 2]" 1
1181 1 117 SER QB 1 118 ARG H 2.820 . 3.840 2.913 2.427 3.796 . 0 0 "[ . 1 . 2]" 1
1182 1 118 ARG H 1 121 LYS QB 2.895 . 3.990 4.533 4.136 4.760 0.770 16 13 "[ **.* ******-+ **2]" 1
1183 1 118 ARG HA 1 121 LYS QB 2.900 . 4.000 2.414 1.769 2.943 0.031 5 0 "[ . 1 . 2]" 1
1184 1 118 ARG QB 1 119 PHE H 3.075 . 4.350 2.546 2.049 3.115 . 0 0 "[ . 1 . 2]" 1
1185 1 119 PHE H 1 119 PHE QB 2.690 . 3.580 2.238 2.180 2.266 . 0 0 "[ . 1 . 2]" 1
1186 1 119 PHE QB 1 120 LEU H 3.080 . 4.360 2.563 2.170 3.189 . 0 0 "[ . 1 . 2]" 1
1187 1 119 PHE QE 1 120 LEU QD 3.095 . 4.390 3.460 2.951 4.403 0.013 3 0 "[ . 1 . 2]" 1
1188 1 120 LEU H 1 120 LEU QB 2.730 . 3.660 2.469 2.264 2.563 . 0 0 "[ . 1 . 2]" 1
1189 1 120 LEU H 1 120 LEU QD 2.845 . 3.890 2.986 2.277 3.296 . 0 0 "[ . 1 . 2]" 1
1190 1 120 LEU HA 1 120 LEU QD 2.795 . 3.790 2.071 1.955 2.549 . 0 0 "[ . 1 . 2]" 1
1191 1 120 LEU QB 1 121 LYS H 2.780 . 3.760 3.182 2.506 3.627 . 0 0 "[ . 1 . 2]" 1
1192 1 120 LEU QD 1 125 PHE HZ 2.990 . 4.180 2.817 2.050 4.218 0.038 6 0 "[ . 1 . 2]" 1
1193 1 121 LYS H 1 121 LYS QB 2.585 . 3.370 2.352 2.174 2.665 . 0 0 "[ . 1 . 2]" 1
1194 1 121 LYS HA 1 121 LYS QE 2.950 . 4.100 3.596 1.732 4.414 0.314 5 0 "[ . 1 . 2]" 1
1195 1 121 LYS QB 1 121 LYS QE 2.800 . 3.800 2.431 1.739 3.731 0.061 1 0 "[ . 1 . 2]" 1
1196 1 121 LYS QB 1 122 SER H 2.465 . 3.130 2.686 2.077 3.659 0.529 19 1 "[ . 1 . +2]" 1
1197 1 121 LYS QE 1 122 SER H 2.990 . 4.180 3.665 2.711 4.301 0.121 17 0 "[ . 1 . 2]" 1
1198 1 124 LEU H 1 124 LEU QD 3.145 . 4.490 2.758 1.732 4.015 0.068 20 0 "[ . 1 . 2]" 1
1199 1 124 LEU HA 1 124 LEU QD 2.465 . 3.130 2.212 1.897 3.032 . 0 0 "[ . 1 . 2]" 1
1200 1 124 LEU HA 1 126 LEU QB 2.930 . 4.060 4.125 3.880 4.222 0.162 12 0 "[ . 1 . 2]" 1
1201 1 124 LEU HA 1 126 LEU QD 2.880 . 3.960 3.828 2.850 4.114 0.154 12 0 "[ . 1 . 2]" 1
1202 1 124 LEU HA 1 129 LYS QB 2.580 . 3.360 2.553 1.832 3.440 0.080 17 0 "[ . 1 . 2]" 1
1203 1 124 LEU HA 1 130 ARG QB 2.515 . 3.230 3.879 3.103 4.553 1.323 17 11 "[ * ***** * * -.*+ 2]" 1
1204 1 124 LEU QB 1 129 LYS QB 2.875 . 3.950 3.648 2.966 4.009 0.059 13 0 "[ . 1 . 2]" 1
1205 1 125 PHE QD 1 126 LEU QD 2.855 . 3.910 3.294 2.154 3.930 0.020 17 0 "[ . 1 . 2]" 1
1206 1 126 LEU HA 1 126 LEU QD 2.640 . 3.480 2.002 1.848 2.204 . 0 0 "[ . 1 . 2]" 1
1207 1 126 LEU QB 1 127 LYS H 2.770 . 3.740 2.506 1.787 3.131 0.013 9 0 "[ . 1 . 2]" 1
1208 1 127 LYS H 1 127 LYS QB 2.510 . 3.220 2.428 2.257 2.777 . 0 0 "[ . 1 . 2]" 1
1209 1 127 LYS HA 1 127 LYS QD 3.030 . 4.260 4.031 3.943 4.272 0.012 15 0 "[ . 1 . 2]" 1
1210 1 127 LYS QB 1 128 HIS HA 3.075 . 4.350 4.195 3.925 4.478 0.128 17 0 "[ . 1 . 2]" 1
1211 1 130 ARG HA 1 130 ARG QG 2.725 . 3.650 2.681 2.268 3.391 . 0 0 "[ . 1 . 2]" 1
1212 1 130 ARG HA 1 130 ARG QD 3.025 . 4.250 3.645 1.882 4.270 0.020 20 0 "[ . 1 . 2]" 1
1213 1 130 ARG QB 1 131 THR HA 3.555 . 5.310 4.822 4.257 5.490 0.180 20 0 "[ . 1 . 2]" 1
1214 1 35 GLU H 1 37 SER H 4.555 . 7.310 4.317 3.565 4.935 . 0 0 "[ . 1 . 2]" 1
1215 1 8 THR HB 1 125 PHE HZ 3.555 . 3.555 3.592 3.306 3.714 0.159 6 0 "[ . 1 . 2]" 1
1216 1 59 MET ME 1 97 PRO QG 5.000 . 5.000 4.010 2.942 5.045 0.045 16 0 "[ . 1 . 2]" 1
1217 1 59 MET ME 1 97 PRO QD 5.000 . 5.000 2.672 1.835 4.016 . 0 0 "[ . 1 . 2]" 1
1218 1 59 MET ME 1 96 HIS HA 5.000 . 5.000 3.242 2.410 4.270 . 0 0 "[ . 1 . 2]" 1
1219 1 56 LYS HA 1 59 MET ME 5.000 . 5.000 2.414 1.686 3.079 . 0 0 "[ . 1 . 2]" 1
1220 1 44 TRP HH2 1 48 GLU QG 4.000 . 4.000 3.546 2.925 4.077 0.077 9 0 "[ . 1 . 2]" 1
1221 1 53 MET ME 1 62 LYS QE 4.500 . 4.500 3.715 2.426 4.610 0.110 4 0 "[ . 1 . 2]" 1
1222 1 53 MET ME 1 62 LYS QB 5.500 . 5.500 4.797 2.825 5.595 0.095 18 0 "[ . 1 . 2]" 1
1223 1 49 ASP QB 1 53 MET ME 5.500 . 5.500 3.553 1.722 4.103 . 0 0 "[ . 1 . 2]" 1
1224 1 50 PHE HA 1 53 MET ME 5.000 . 5.000 3.938 1.596 5.031 0.031 2 0 "[ . 1 . 2]" 1
1225 1 50 PHE HA 1 53 MET QG 5.000 . 5.000 4.067 2.825 4.916 . 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 126
_Distance_constraint_stats_list.Viol_count 1316
_Distance_constraint_stats_list.Viol_total 5233.952
_Distance_constraint_stats_list.Viol_max 0.505
_Distance_constraint_stats_list.Viol_rms 0.1368
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1038
_Distance_constraint_stats_list.Viol_average_violations_only 0.1989
_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 5 LEU 5.575 0.405 5 0 "[ . 1 . 2]"
1 6 LYS 7.133 0.392 14 0 "[ . 1 . 2]"
1 7 SER 10.013 0.393 9 0 "[ . 1 . 2]"
1 8 THR 0.653 0.232 2 0 "[ . 1 . 2]"
1 9 ALA 11.930 0.405 5 0 "[ . 1 . 2]"
1 10 LYS 20.533 0.454 19 0 "[ . 1 . 2]"
1 11 TRP 10.013 0.393 9 0 "[ . 1 . 2]"
1 12 ALA 0.653 0.232 2 0 "[ . 1 . 2]"
1 13 ALA 6.355 0.378 18 0 "[ . 1 . 2]"
1 14 SER 24.325 0.454 19 0 "[ . 1 . 2]"
1 15 LEU 0.652 0.181 20 0 "[ . 1 . 2]"
1 16 GLU 7.081 0.431 11 0 "[ . 1 . 2]"
1 17 ASN 0.441 0.177 11 0 "[ . 1 . 2]"
1 18 LEU 10.925 0.359 20 0 "[ . 1 . 2]"
1 19 LEU 0.652 0.181 20 0 "[ . 1 . 2]"
1 20 GLU 7.081 0.431 11 0 "[ . 1 . 2]"
1 21 ASP 4.985 0.340 6 0 "[ . 1 . 2]"
1 22 PRO 0.899 0.203 18 0 "[ . 1 . 2]"
1 23 GLU 1.331 0.266 16 0 "[ . 1 . 2]"
1 24 GLY 0.432 0.235 13 0 "[ . 1 . 2]"
1 25 VAL 5.461 0.340 6 0 "[ . 1 . 2]"
1 26 LYS 2.068 0.233 2 0 "[ . 1 . 2]"
1 27 ARG 5.060 0.349 1 0 "[ . 1 . 2]"
1 28 PHE 2.581 0.305 1 0 "[ . 1 . 2]"
1 29 ARG 2.470 0.300 1 0 "[ . 1 . 2]"
1 30 GLU 7.905 0.412 12 0 "[ . 1 . 2]"
1 31 PHE 7.854 0.380 8 0 "[ . 1 . 2]"
1 32 LEU 3.125 0.305 1 0 "[ . 1 . 2]"
1 33 LYS 1.552 0.220 13 0 "[ . 1 . 2]"
1 34 LYS 6.736 0.412 12 0 "[ . 1 . 2]"
1 35 GLU 4.125 0.380 8 0 "[ . 1 . 2]"
1 37 SER 16.196 0.505 15 1 "[ . 1 + 2]"
1 38 GLU 0.112 0.073 5 0 "[ . 1 . 2]"
1 39 GLU 3.180 0.319 14 0 "[ . 1 . 2]"
1 40 ASN 12.395 0.392 6 0 "[ . 1 . 2]"
1 41 VAL 25.263 0.505 15 1 "[ . 1 + 2]"
1 42 LEU 0.142 0.073 5 0 "[ . 1 . 2]"
1 43 PHE 3.244 0.319 14 0 "[ . 1 . 2]"
1 44 TRP 12.849 0.392 6 0 "[ . 1 . 2]"
1 45 LEU 11.910 0.342 1 0 "[ . 1 . 2]"
1 46 ALA 0.125 0.084 11 0 "[ . 1 . 2]"
1 47 CYS 6.342 0.403 15 0 "[ . 1 . 2]"
1 48 GLU 5.459 0.416 2 0 "[ . 1 . 2]"
1 49 ASP 6.073 0.360 12 0 "[ . 1 . 2]"
1 50 PHE 0.095 0.084 11 0 "[ . 1 . 2]"
1 51 LYS 6.278 0.403 15 0 "[ . 1 . 2]"
1 52 LYS 5.005 0.416 2 0 "[ . 1 . 2]"
1 53 MET 4.207 0.360 12 0 "[ . 1 . 2]"
1 55 ASP 0.938 0.320 17 0 "[ . 1 . 2]"
1 56 LYS 5.358 0.398 12 0 "[ . 1 . 2]"
1 57 THR 6.215 0.354 3 0 "[ . 1 . 2]"
1 58 GLN 0.114 0.044 10 0 "[ . 1 . 2]"
1 59 MET 3.145 0.346 10 0 "[ . 1 . 2]"
1 60 GLN 16.911 0.402 12 0 "[ . 1 . 2]"
1 61 GLU 10.284 0.416 8 0 "[ . 1 . 2]"
1 62 LYS 0.869 0.227 10 0 "[ . 1 . 2]"
1 63 ALA 10.779 0.379 6 0 "[ . 1 . 2]"
1 64 LYS 12.932 0.402 12 0 "[ . 1 . 2]"
1 65 GLU 5.889 0.416 8 0 "[ . 1 . 2]"
1 66 ILE 1.347 0.305 4 0 "[ . 1 . 2]"
1 67 TYR 11.664 0.401 18 0 "[ . 1 . 2]"
1 68 MET 1.379 0.323 13 0 "[ . 1 . 2]"
1 69 THR 1.819 0.369 20 0 "[ . 1 . 2]"
1 70 PHE 0.592 0.305 4 0 "[ . 1 . 2]"
1 71 LEU 3.092 0.401 18 0 "[ . 1 . 2]"
1 102 LYS 1.930 0.283 1 0 "[ . 1 . 2]"
1 103 LEU 0.098 0.066 10 0 "[ . 1 . 2]"
1 104 GLN 1.005 0.243 14 0 "[ . 1 . 2]"
1 105 ASP 6.174 0.391 14 0 "[ . 1 . 2]"
1 106 GLN 4.067 0.301 3 0 "[ . 1 . 2]"
1 107 ILE 1.143 0.085 6 0 "[ . 1 . 2]"
1 108 PHE 5.260 0.338 8 0 "[ . 1 . 2]"
1 109 ASN 13.084 0.391 14 0 "[ . 1 . 2]"
1 110 LEU 2.615 0.301 3 0 "[ . 1 . 2]"
1 111 MET 5.228 0.339 16 0 "[ . 1 . 2]"
1 112 LYS 16.587 0.486 18 0 "[ . 1 . 2]"
1 113 TYR 21.113 0.489 8 0 "[ . 1 . 2]"
1 114 ASP 4.879 0.441 18 0 "[ . 1 . 2]"
1 115 SER 4.960 0.351 13 0 "[ . 1 . 2]"
1 116 TYR 17.701 0.486 18 0 "[ . 1 . 2]"
1 117 SER 14.203 0.489 8 0 "[ . 1 . 2]"
1 118 ARG 4.401 0.441 18 0 "[ . 1 . 2]"
1 119 PHE 0.777 0.351 13 0 "[ . 1 . 2]"
1 120 LEU 5.370 0.324 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 LEU O 1 9 ALA H 1.900 . 2.000 2.163 1.836 2.405 0.405 5 0 "[ . 1 . 2]" 2
2 1 5 LEU O 1 9 ALA N 2.850 2.700 3.000 3.051 2.736 3.351 0.351 5 0 "[ . 1 . 2]" 2
3 1 6 LYS O 1 10 LYS H 1.900 . 2.000 2.239 1.971 2.392 0.392 14 0 "[ . 1 . 2]" 2
4 1 6 LYS O 1 10 LYS N 2.850 2.700 3.000 3.106 2.836 3.263 0.263 14 0 "[ . 1 . 2]" 2
5 1 7 SER O 1 11 TRP H 1.900 . 2.000 2.273 2.001 2.393 0.393 9 0 "[ . 1 . 2]" 2
6 1 7 SER O 1 11 TRP N 2.850 2.700 3.000 3.223 2.948 3.341 0.341 9 0 "[ . 1 . 2]" 2
7 1 8 THR O 1 12 ALA H 1.900 . 2.000 1.966 1.847 2.232 0.232 2 0 "[ . 1 . 2]" 2
8 1 8 THR O 1 12 ALA N 2.850 2.700 3.000 2.860 2.684 3.126 0.126 2 0 "[ . 1 . 2]" 2
9 1 9 ALA O 1 13 ALA H 1.900 . 2.000 2.316 2.222 2.378 0.378 18 0 "[ . 1 . 2]" 2
10 1 9 ALA O 1 13 ALA N 2.850 2.700 3.000 2.799 2.675 2.977 0.025 15 0 "[ . 1 . 2]" 2
11 1 10 LYS O 1 14 SER H 1.900 . 2.000 2.384 2.308 2.454 0.454 19 0 "[ . 1 . 2]" 2
12 1 10 LYS O 1 14 SER N 2.850 2.700 3.000 3.286 3.217 3.352 0.352 19 0 "[ . 1 . 2]" 2
13 1 14 SER O 1 18 LEU H 1.900 . 2.000 2.296 2.220 2.359 0.359 20 0 "[ . 1 . 2]" 2
14 1 14 SER O 1 18 LEU N 2.850 2.700 3.000 3.250 3.183 3.334 0.334 3 0 "[ . 1 . 2]" 2
15 1 15 LEU O 1 19 LEU H 1.900 . 2.000 1.990 1.859 2.181 0.181 20 0 "[ . 1 . 2]" 2
16 1 15 LEU O 1 19 LEU N 2.850 2.700 3.000 2.901 2.785 3.031 0.031 20 0 "[ . 1 . 2]" 2
17 1 16 GLU O 1 20 GLU H 1.900 . 2.000 2.354 2.306 2.431 0.431 11 0 "[ . 1 . 2]" 2
18 1 16 GLU O 1 20 GLU N 2.850 2.700 3.000 2.834 2.726 2.988 . 0 0 "[ . 1 . 2]" 2
19 1 17 ASN O 1 21 ASP H 1.900 . 2.000 1.918 1.815 2.177 0.177 11 0 "[ . 1 . 2]" 2
20 1 17 ASN O 1 21 ASP N 2.850 2.700 3.000 2.836 2.687 3.081 0.081 11 0 "[ . 1 . 2]" 2
21 1 21 ASP O 1 25 VAL H 1.900 . 2.000 2.111 1.874 2.340 0.340 6 0 "[ . 1 . 2]" 2
22 1 21 ASP O 1 25 VAL N 2.850 2.700 3.000 3.074 2.852 3.278 0.278 6 0 "[ . 1 . 2]" 2
23 1 22 PRO O 1 26 LYS H 1.900 . 2.000 1.983 1.816 2.203 0.203 18 0 "[ . 1 . 2]" 2
24 1 22 PRO O 1 26 LYS N 2.850 2.700 3.000 2.883 2.756 3.083 0.083 18 0 "[ . 1 . 2]" 2
25 1 23 GLU O 1 27 ARG H 1.900 . 2.000 1.966 1.796 2.266 0.266 16 0 "[ . 1 . 2]" 2
26 1 23 GLU O 1 27 ARG N 2.850 2.700 3.000 2.915 2.730 3.206 0.206 16 0 "[ . 1 . 2]" 2
27 1 24 GLY O 1 28 PHE H 1.900 . 2.000 1.900 1.792 2.235 0.235 13 0 "[ . 1 . 2]" 2
28 1 24 GLY O 1 28 PHE N 2.850 2.700 3.000 2.801 2.697 3.110 0.110 13 0 "[ . 1 . 2]" 2
29 1 25 VAL O 1 29 ARG H 1.900 . 2.000 1.993 1.861 2.300 0.300 1 0 "[ . 1 . 2]" 2
30 1 25 VAL O 1 29 ARG N 2.850 2.700 3.000 2.838 2.680 3.138 0.138 1 0 "[ . 1 . 2]" 2
31 1 26 LYS O 1 30 GLU H 1.900 . 2.000 2.001 1.850 2.233 0.233 2 0 "[ . 1 . 2]" 2
32 1 26 LYS O 1 30 GLU N 2.850 2.700 3.000 2.944 2.787 3.186 0.186 2 0 "[ . 1 . 2]" 2
33 1 27 ARG O 1 31 PHE H 1.900 . 2.000 2.070 1.804 2.349 0.349 1 0 "[ . 1 . 2]" 2
34 1 27 ARG O 1 31 PHE N 2.850 2.700 3.000 2.976 2.704 3.262 0.262 1 0 "[ . 1 . 2]" 2
35 1 28 PHE O 1 32 LEU H 1.900 . 2.000 2.044 1.907 2.305 0.305 1 0 "[ . 1 . 2]" 2
36 1 28 PHE O 1 32 LEU N 2.850 2.700 3.000 3.008 2.885 3.279 0.279 1 0 "[ . 1 . 2]" 2
37 1 29 ARG O 1 33 LYS H 1.900 . 2.000 1.959 1.769 2.220 0.220 13 0 "[ . 1 . 2]" 2
38 1 29 ARG O 1 33 LYS N 2.850 2.700 3.000 2.687 2.596 3.002 0.104 8 0 "[ . 1 . 2]" 2
39 1 30 GLU O 1 34 LYS H 1.900 . 2.000 2.207 1.907 2.412 0.412 12 0 "[ . 1 . 2]" 2
40 1 30 GLU O 1 34 LYS N 2.850 2.700 3.000 3.097 2.800 3.344 0.344 12 0 "[ . 1 . 2]" 2
41 1 31 PHE O 1 35 GLU H 1.900 . 2.000 2.108 1.818 2.380 0.380 8 0 "[ . 1 . 2]" 2
42 1 31 PHE O 1 35 GLU N 2.850 2.700 3.000 2.973 2.673 3.262 0.262 7 0 "[ . 1 . 2]" 2
43 1 32 LEU O 1 37 SER H 1.900 . 2.000 1.872 1.790 1.952 0.010 12 0 "[ . 1 . 2]" 2
44 1 32 LEU O 1 37 SER N 2.850 2.700 3.000 2.653 2.601 2.722 0.099 15 0 "[ . 1 . 2]" 2
45 1 37 SER O 1 41 VAL H 1.900 . 2.000 2.406 2.357 2.505 0.505 15 1 "[ . 1 + 2]" 2
46 1 37 SER O 1 41 VAL N 2.850 2.700 3.000 3.355 3.298 3.426 0.426 15 0 "[ . 1 . 2]" 2
47 1 38 GLU O 1 42 LEU H 1.900 . 2.000 1.919 1.818 2.073 0.073 5 0 "[ . 1 . 2]" 2
48 1 38 GLU O 1 42 LEU N 2.850 2.700 3.000 2.857 2.758 3.009 0.009 5 0 "[ . 1 . 2]" 2
49 1 39 GLU O 1 43 PHE H 1.900 . 2.000 2.132 1.894 2.319 0.319 14 0 "[ . 1 . 2]" 2
50 1 39 GLU O 1 43 PHE N 2.850 2.700 3.000 2.935 2.736 3.135 0.135 20 0 "[ . 1 . 2]" 2
51 1 40 ASN O 1 44 TRP H 1.900 . 2.000 2.338 2.199 2.392 0.392 6 0 "[ . 1 . 2]" 2
52 1 40 ASN O 1 44 TRP N 2.850 2.700 3.000 3.282 3.144 3.347 0.347 6 0 "[ . 1 . 2]" 2
53 1 41 VAL O 1 45 LEU H 1.900 . 2.000 2.263 2.084 2.342 0.342 1 0 "[ . 1 . 2]" 2
54 1 41 VAL O 1 45 LEU N 2.850 2.700 3.000 3.239 3.066 3.325 0.325 2 0 "[ . 1 . 2]" 2
55 1 42 LEU O 1 46 ALA H 1.900 . 2.000 1.855 1.803 1.903 . 0 0 "[ . 1 . 2]" 2
56 1 42 LEU O 1 46 ALA N 2.850 2.700 3.000 2.740 2.684 2.822 0.016 9 0 "[ . 1 . 2]" 2
57 1 43 PHE O 1 47 CYS H 1.900 . 2.000 1.940 1.873 2.045 0.045 10 0 "[ . 1 . 2]" 2
58 1 43 PHE O 1 47 CYS N 2.850 2.700 3.000 2.813 2.702 2.902 . 0 0 "[ . 1 . 2]" 2
59 1 44 TRP O 1 48 GLU H 1.900 . 2.000 1.968 1.843 2.138 0.138 14 0 "[ . 1 . 2]" 2
60 1 44 TRP O 1 48 GLU N 2.850 2.700 3.000 2.862 2.728 3.041 0.041 8 0 "[ . 1 . 2]" 2
61 1 45 LEU O 1 49 ASP H 1.900 . 2.000 2.015 1.826 2.281 0.281 20 0 "[ . 1 . 2]" 2
62 1 45 LEU O 1 49 ASP N 2.850 2.700 3.000 2.983 2.779 3.260 0.260 20 0 "[ . 1 . 2]" 2
63 1 46 ALA O 1 50 PHE H 1.900 . 2.000 1.912 1.815 2.084 0.084 11 0 "[ . 1 . 2]" 2
64 1 46 ALA O 1 50 PHE N 2.850 2.700 3.000 2.751 2.688 2.857 0.012 6 0 "[ . 1 . 2]" 2
65 1 47 CYS O 1 51 LYS H 1.900 . 2.000 2.193 1.897 2.403 0.403 15 0 "[ . 1 . 2]" 2
66 1 47 CYS O 1 51 LYS N 2.850 2.700 3.000 3.063 2.760 3.348 0.348 12 0 "[ . 1 . 2]" 2
67 1 48 GLU O 1 52 LYS H 1.900 . 2.000 2.163 1.849 2.416 0.416 2 0 "[ . 1 . 2]" 2
68 1 48 GLU O 1 52 LYS N 2.850 2.700 3.000 2.959 2.659 3.328 0.328 14 0 "[ . 1 . 2]" 2
69 1 49 ASP O 1 53 MET H 1.900 . 2.000 2.128 1.884 2.360 0.360 12 0 "[ . 1 . 2]" 2
70 1 49 ASP O 1 53 MET N 2.850 2.700 3.000 3.032 2.805 3.327 0.327 12 0 "[ . 1 . 2]" 2
71 1 55 ASP O 1 59 MET H 1.900 . 2.000 1.823 1.753 2.320 0.320 17 0 "[ . 1 . 2]" 2
72 1 55 ASP O 1 59 MET N 2.850 2.700 3.000 2.768 2.683 3.280 0.280 17 0 "[ . 1 . 2]" 2
73 1 56 LYS O 1 60 GLN H 1.900 . 2.000 2.142 1.841 2.398 0.398 12 0 "[ . 1 . 2]" 2
74 1 56 LYS O 1 60 GLN N 2.850 2.700 3.000 3.045 2.759 3.345 0.345 14 0 "[ . 1 . 2]" 2
75 1 57 THR O 1 61 GLU H 1.900 . 2.000 2.161 1.910 2.354 0.354 3 0 "[ . 1 . 2]" 2
76 1 57 THR O 1 61 GLU N 2.850 2.700 3.000 3.126 2.886 3.307 0.307 3 0 "[ . 1 . 2]" 2
77 1 58 GLN O 1 62 LYS H 1.900 . 2.000 1.872 1.796 2.025 0.025 15 0 "[ . 1 . 2]" 2
78 1 58 GLN O 1 62 LYS N 2.850 2.700 3.000 2.767 2.656 2.910 0.044 10 0 "[ . 1 . 2]" 2
79 1 59 MET O 1 63 ALA H 1.900 . 2.000 2.092 1.917 2.346 0.346 10 0 "[ . 1 . 2]" 2
80 1 59 MET O 1 63 ALA N 2.850 2.700 3.000 2.835 2.677 3.047 0.047 10 0 "[ . 1 . 2]" 2
81 1 60 GLN O 1 64 LYS H 1.900 . 2.000 2.322 2.209 2.402 0.402 12 0 "[ . 1 . 2]" 2
82 1 60 GLN O 1 64 LYS N 2.850 2.700 3.000 3.256 3.145 3.340 0.340 16 0 "[ . 1 . 2]" 2
83 1 61 GLU O 1 65 GLU H 1.900 . 2.000 2.136 1.891 2.416 0.416 8 0 "[ . 1 . 2]" 2
84 1 61 GLU O 1 65 GLU N 2.850 2.700 3.000 2.976 2.694 3.226 0.226 8 0 "[ . 1 . 2]" 2
85 1 62 LYS O 1 66 ILE H 1.900 . 2.000 1.983 1.872 2.227 0.227 10 0 "[ . 1 . 2]" 2
86 1 62 LYS O 1 66 ILE N 2.850 2.700 3.000 2.954 2.845 3.197 0.197 10 0 "[ . 1 . 2]" 2
87 1 63 ALA O 1 67 TYR H 1.900 . 2.000 2.267 2.054 2.379 0.379 6 0 "[ . 1 . 2]" 2
88 1 63 ALA O 1 67 TYR N 2.850 2.700 3.000 3.160 2.955 3.291 0.291 4 0 "[ . 1 . 2]" 2
89 1 64 LYS O 1 68 MET H 1.900 . 2.000 2.005 1.894 2.323 0.323 13 0 "[ . 1 . 2]" 2
90 1 64 LYS O 1 68 MET N 2.850 2.700 3.000 2.924 2.778 3.242 0.242 13 0 "[ . 1 . 2]" 2
91 1 65 GLU O 1 69 THR H 1.900 . 2.000 2.069 1.891 2.369 0.369 20 0 "[ . 1 . 2]" 2
92 1 65 GLU O 1 69 THR N 2.850 2.700 3.000 2.868 2.702 3.025 0.025 10 0 "[ . 1 . 2]" 2
93 1 66 ILE O 1 70 PHE H 1.900 . 2.000 1.982 1.881 2.305 0.305 4 0 "[ . 1 . 2]" 2
94 1 66 ILE O 1 70 PHE N 2.850 2.700 3.000 2.877 2.758 3.106 0.106 4 0 "[ . 1 . 2]" 2
95 1 67 TYR O 1 71 LEU H 1.900 . 2.000 2.139 1.835 2.401 0.401 18 0 "[ . 1 . 2]" 2
96 1 67 TYR O 1 71 LEU N 2.850 2.700 3.000 2.864 2.652 3.013 0.048 20 0 "[ . 1 . 2]" 2
97 1 102 LYS O 1 106 GLN H 1.900 . 2.000 2.003 1.828 2.283 0.283 1 0 "[ . 1 . 2]" 2
98 1 102 LYS O 1 106 GLN N 2.850 2.700 3.000 2.918 2.683 3.221 0.221 8 0 "[ . 1 . 2]" 2
99 1 103 LEU O 1 107 ILE H 1.900 . 2.000 1.884 1.821 2.066 0.066 10 0 "[ . 1 . 2]" 2
100 1 103 LEU O 1 107 ILE N 2.850 2.700 3.000 2.840 2.766 3.033 0.033 10 0 "[ . 1 . 2]" 2
101 1 104 GLN O 1 108 PHE H 1.900 . 2.000 2.025 1.902 2.243 0.243 14 0 "[ . 1 . 2]" 2
102 1 104 GLN O 1 108 PHE N 2.850 2.700 3.000 2.829 2.707 2.980 . 0 0 "[ . 1 . 2]" 2
103 1 105 ASP O 1 109 ASN H 1.900 . 2.000 2.181 1.931 2.391 0.391 14 0 "[ . 1 . 2]" 2
104 1 105 ASP O 1 109 ASN N 2.850 2.700 3.000 3.100 2.876 3.274 0.274 12 0 "[ . 1 . 2]" 2
105 1 106 GLN O 1 110 LEU H 1.900 . 2.000 2.009 1.819 2.301 0.301 3 0 "[ . 1 . 2]" 2
106 1 106 GLN O 1 110 LEU N 2.850 2.700 3.000 2.974 2.770 3.283 0.283 3 0 "[ . 1 . 2]" 2
107 1 107 ILE O 1 111 MET H 1.900 . 2.000 1.817 1.775 1.881 0.025 5 0 "[ . 1 . 2]" 2
108 1 107 ILE O 1 111 MET N 2.850 2.700 3.000 2.654 2.615 2.704 0.085 6 0 "[ . 1 . 2]" 2
109 1 108 PHE O 1 112 LYS H 1.900 . 2.000 2.130 1.888 2.338 0.338 8 0 "[ . 1 . 2]" 2
110 1 108 PHE O 1 112 LYS N 2.850 2.700 3.000 3.030 2.822 3.249 0.249 8 0 "[ . 1 . 2]" 2
111 1 109 ASN O 1 113 TYR H 1.900 . 2.000 2.170 1.904 2.348 0.348 7 0 "[ . 1 . 2]" 2
112 1 109 ASN O 1 113 TYR N 2.850 2.700 3.000 3.141 2.874 3.325 0.325 7 0 "[ . 1 . 2]" 2
113 1 110 LEU O 1 114 ASP H 1.900 . 2.000 1.907 1.799 2.264 0.264 14 0 "[ . 1 . 2]" 2
114 1 110 LEU O 1 114 ASP N 2.850 2.700 3.000 2.808 2.691 3.204 0.204 14 0 "[ . 1 . 2]" 2
115 1 111 MET O 1 115 SER H 1.900 . 2.000 2.196 1.852 2.339 0.339 16 0 "[ . 1 . 2]" 2
116 1 111 MET O 1 115 SER N 2.850 2.700 3.000 2.790 2.666 2.886 0.034 3 0 "[ . 1 . 2]" 2
117 1 112 LYS O 1 116 TYR H 1.900 . 2.000 2.437 2.377 2.486 0.486 18 0 "[ . 1 . 2]" 2
118 1 112 LYS O 1 116 TYR N 2.850 2.700 3.000 3.179 3.008 3.304 0.304 11 0 "[ . 1 . 2]" 2
119 1 113 TYR O 1 117 SER H 1.900 . 2.000 2.414 2.254 2.489 0.489 8 0 "[ . 1 . 2]" 2
120 1 113 TYR O 1 117 SER N 2.850 2.700 3.000 3.296 3.140 3.351 0.351 19 0 "[ . 1 . 2]" 2
121 1 114 ASP O 1 118 ARG H 1.900 . 2.000 2.128 1.835 2.441 0.441 18 0 "[ . 1 . 2]" 2
122 1 114 ASP O 1 118 ARG N 2.850 2.700 3.000 2.974 2.682 3.382 0.382 8 0 "[ . 1 . 2]" 2
123 1 115 SER O 1 119 PHE H 1.900 . 2.000 1.950 1.816 2.351 0.351 13 0 "[ . 1 . 2]" 2
124 1 115 SER O 1 119 PHE N 2.850 2.700 3.000 2.818 2.697 3.270 0.270 13 0 "[ . 1 . 2]" 2
125 1 116 TYR O 1 120 LEU H 1.900 . 2.000 2.157 1.858 2.324 0.324 18 0 "[ . 1 . 2]" 2
126 1 116 TYR O 1 120 LEU N 2.850 2.700 3.000 3.071 2.754 3.275 0.275 8 0 "[ . 1 . 2]" 2
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