NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405466 |
1x5p   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x5p
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 1690
_Distance_constraint_stats_list.Viol_count 1139
_Distance_constraint_stats_list.Viol_total 3951.718
_Distance_constraint_stats_list.Viol_max 2.132
_Distance_constraint_stats_list.Viol_rms 0.0531
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.1735
_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 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 19.035 2.132 18 14 "[ ** - ** *** ****+*2]"
1 11 ALA 19.035 2.132 18 14 "[ ** - ** *** ****+*2]"
1 12 PRO 0.007 0.004 16 0 "[ . 1 . 2]"
1 13 ARG 0.007 0.004 16 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.003 0.003 20 0 "[ . 1 . 2]"
1 16 ASN 0.583 0.206 2 0 "[ . 1 . 2]"
1 17 THR 4.401 0.296 15 0 "[ . 1 . 2]"
1 18 LEU 10.817 0.284 13 0 "[ . 1 . 2]"
1 19 TYR 18.806 0.877 16 15 "[-** *****1** **+ * *]"
1 20 VAL 0.390 0.086 12 0 "[ . 1 . 2]"
1 21 TYR 6.598 0.744 10 7 "[ ** * +* *- 2]"
1 22 GLY 0.013 0.011 14 0 "[ . 1 . 2]"
1 23 GLU 0.237 0.038 17 0 "[ . 1 . 2]"
1 24 ASP 0.061 0.036 4 0 "[ . 1 . 2]"
1 25 MET 9.290 0.452 17 0 "[ . 1 . 2]"
1 26 THR 4.406 0.315 10 0 "[ . 1 . 2]"
1 27 PRO 6.849 0.528 11 2 "[ . - 1+ . 2]"
1 28 THR 0.017 0.017 14 0 "[ . 1 . 2]"
1 29 LEU 1.664 0.273 8 0 "[ . 1 . 2]"
1 30 LEU 3.064 0.271 20 0 "[ . 1 . 2]"
1 31 ARG 0.180 0.077 14 0 "[ . 1 . 2]"
1 32 GLY 3.174 0.271 20 0 "[ . 1 . 2]"
1 33 ALA 1.592 0.155 13 0 "[ . 1 . 2]"
1 34 PHE 10.399 0.838 15 2 "[ -. 1 + 2]"
1 35 SER 0.430 0.142 20 0 "[ . 1 . 2]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PHE 5.072 0.339 8 0 "[ . 1 . 2]"
1 38 GLY 6.963 0.461 19 0 "[ . 1 . 2]"
1 39 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ILE 0.455 0.194 12 0 "[ . 1 . 2]"
1 41 ILE 1.862 0.227 17 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 11 0 "[ . 1 . 2]"
1 43 LEU 9.915 0.528 11 2 "[ . - 1+ . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 MET 6.712 0.838 15 2 "[ -. 1 + 2]"
1 46 ASP 2.267 0.701 9 2 "[ -. +1 . 2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 0.066 0.052 20 0 "[ . 1 . 2]"
1 50 ASN 6.450 0.744 10 7 "[ ** * +* *- 2]"
1 51 CYS 3.542 0.701 9 2 "[ -. +1 . 2]"
1 52 ALA 1.261 0.097 17 0 "[ . 1 . 2]"
1 53 PHE 0.345 0.169 20 0 "[ . 1 . 2]"
1 54 VAL 9.661 0.296 15 0 "[ . 1 . 2]"
1 55 THR 1.450 0.178 20 0 "[ . 1 . 2]"
1 56 TYR 4.128 0.373 10 0 "[ . 1 . 2]"
1 57 GLU 1.285 0.129 8 0 "[ . 1 . 2]"
1 58 LYS 0.817 0.129 8 0 "[ . 1 . 2]"
1 59 MET 2.774 0.306 19 0 "[ . 1 . 2]"
1 60 GLU 7.819 1.118 16 5 "[ * . * *.+ -2]"
1 61 SER 9.473 0.593 7 4 "[ . +* 1 .* -2]"
1 62 ALA 3.389 0.215 13 0 "[ . 1 . 2]"
1 63 ASP 5.477 0.277 4 0 "[ . 1 . 2]"
1 64 GLN 14.009 1.118 16 7 "[ * . ** * *.+ -2]"
1 65 ALA 5.743 0.277 4 0 "[ . 1 . 2]"
1 66 VAL 0.060 0.050 8 0 "[ . 1 . 2]"
1 67 ALA 1.206 0.293 9 0 "[ . 1 . 2]"
1 68 GLU 2.054 0.293 9 0 "[ . 1 . 2]"
1 69 LEU 10.739 0.361 10 0 "[ . 1 . 2]"
1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 9.007 0.361 10 0 "[ . 1 . 2]"
1 72 THR 35.613 1.078 1 20 [+*-*****************]
1 73 GLN 27.924 1.078 1 20 [+****************-**]
1 74 VAL 4.612 0.245 8 0 "[ . 1 . 2]"
1 75 GLU 0.099 0.093 15 0 "[ . 1 . 2]"
1 76 SER 6.662 0.577 12 2 "[ . 1 + . - 2]"
1 77 VAL 1.652 0.273 8 0 "[ . 1 . 2]"
1 78 GLN 2.366 0.311 5 0 "[ . 1 . 2]"
1 79 LEU 5.105 0.452 17 0 "[ . 1 . 2]"
1 80 LYS 0.011 0.007 17 0 "[ . 1 . 2]"
1 81 VAL 0.031 0.017 10 0 "[ . 1 . 2]"
1 82 ASN 17.695 0.877 16 15 "[-** *****1** **+ * *]"
1 83 ILE 4.837 0.286 14 0 "[ . 1 . 2]"
1 84 ALA 2.649 0.216 5 0 "[ . 1 . 2]"
1 85 ARG 0.252 0.091 19 0 "[ . 1 . 2]"
1 86 LYS 0.087 0.063 19 0 "[ . 1 . 2]"
1 87 GLN 8.977 0.466 3 0 "[ . 1 . 2]"
1 88 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 4.867 0.466 3 0 "[ . 1 . 2]"
1 91 ASP 0.000 0.000 . 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 18 LEU HA 1 84 ALA H . . 3.860 2.602 2.304 3.059 . 0 0 "[ . 1 . 2]" 1
2 1 83 ILE HA 1 84 ALA H . . 3.410 2.210 2.153 2.222 . 0 0 "[ . 1 . 2]" 1
3 1 39 ASN HB2 1 40 ILE H . . 5.270 4.186 4.035 4.295 . 0 0 "[ . 1 . 2]" 1
4 1 39 ASN HB3 1 40 ILE H . . 5.270 4.136 3.928 4.378 . 0 0 "[ . 1 . 2]" 1
5 1 40 ILE H 1 40 ILE HG12 . . 3.800 3.714 3.367 3.994 0.194 12 0 "[ . 1 . 2]" 1
6 1 40 ILE H 1 40 ILE HB . . 3.060 2.560 2.511 2.626 . 0 0 "[ . 1 . 2]" 1
7 1 40 ILE H 1 40 ILE MD . . 3.800 3.568 3.435 3.754 . 0 0 "[ . 1 . 2]" 1
8 1 40 ILE H 1 40 ILE MG . . 3.880 3.801 3.779 3.827 . 0 0 "[ . 1 . 2]" 1
9 1 40 ILE H 1 40 ILE HG13 . . 3.800 2.358 1.995 2.678 . 0 0 "[ . 1 . 2]" 1
10 1 42 ASP HA 1 43 LEU H . . 2.860 2.154 2.143 2.162 . 0 0 "[ . 1 . 2]" 1
11 1 42 ASP HB2 1 43 LEU H . . 4.720 4.553 4.507 4.576 . 0 0 "[ . 1 . 2]" 1
12 1 43 LEU H 1 43 LEU HB2 . . 3.770 3.380 3.336 3.432 . 0 0 "[ . 1 . 2]" 1
13 1 43 LEU H 1 43 LEU MD1 . . 4.290 4.262 4.211 4.329 0.039 6 0 "[ . 1 . 2]" 1
14 1 42 ASP HB3 1 43 LEU H . . 4.430 4.188 4.143 4.236 . 0 0 "[ . 1 . 2]" 1
15 1 43 LEU H 1 43 LEU HB3 . . 3.770 2.563 2.519 2.630 . 0 0 "[ . 1 . 2]" 1
16 1 73 GLN HA 1 74 VAL H . . 3.200 2.211 2.198 2.217 . 0 0 "[ . 1 . 2]" 1
17 1 74 VAL H 1 78 GLN HA . . 4.250 3.573 3.479 3.678 . 0 0 "[ . 1 . 2]" 1
18 1 73 GLN HG2 1 74 VAL H . . 4.520 3.863 3.509 4.109 . 0 0 "[ . 1 . 2]" 1
19 1 73 GLN HG3 1 74 VAL H . . 4.810 4.068 3.785 4.449 . 0 0 "[ . 1 . 2]" 1
20 1 77 VAL HA 1 78 GLN H . . 2.700 2.144 2.141 2.154 . 0 0 "[ . 1 . 2]" 1
21 1 73 GLN HG3 1 78 GLN H . . 3.860 3.713 3.263 4.171 0.311 5 0 "[ . 1 . 2]" 1
22 1 78 GLN H 1 78 GLN HB2 . . 3.620 2.183 2.178 2.191 . 0 0 "[ . 1 . 2]" 1
23 1 18 LEU H 1 55 THR HA . . 4.210 3.476 3.051 3.708 . 0 0 "[ . 1 . 2]" 1
24 1 19 TYR HA 1 20 VAL H . . 3.180 2.155 2.138 2.193 . 0 0 "[ . 1 . 2]" 1
25 1 79 LEU H 1 79 LEU HG . . 3.790 2.899 2.252 3.138 . 0 0 "[ . 1 . 2]" 1
26 1 79 LEU H 1 79 LEU HB2 . . 3.630 2.394 2.306 2.719 . 0 0 "[ . 1 . 2]" 1
27 1 20 VAL MG2 1 21 TYR H . . 4.360 3.999 3.893 4.117 . 0 0 "[ . 1 . 2]" 1
28 1 21 TYR H 1 21 TYR HB3 . . 3.620 2.682 2.592 2.752 . 0 0 "[ . 1 . 2]" 1
29 1 21 TYR H 1 80 LYS HB3 . . 4.500 3.909 2.997 4.375 . 0 0 "[ . 1 . 2]" 1
30 1 56 TYR H 1 56 TYR QD . . 3.750 3.581 3.416 3.718 . 0 0 "[ . 1 . 2]" 1
31 1 55 THR HA 1 56 TYR H . . 2.960 2.194 2.156 2.275 . 0 0 "[ . 1 . 2]" 1
32 1 56 TYR H 1 56 TYR HB3 . . 3.860 3.620 3.592 3.683 . 0 0 "[ . 1 . 2]" 1
33 1 56 TYR H 1 56 TYR HB2 . . 3.440 2.386 2.337 2.492 . 0 0 "[ . 1 . 2]" 1
34 1 26 THR H 1 29 LEU H . . 4.070 3.792 3.560 3.890 . 0 0 "[ . 1 . 2]" 1
35 1 28 THR HB 1 29 LEU H . . 3.280 2.823 2.694 2.902 . 0 0 "[ . 1 . 2]" 1
36 1 29 LEU H 1 29 LEU HB3 . . 3.100 2.710 2.676 2.745 . 0 0 "[ . 1 . 2]" 1
37 1 28 THR MG 1 29 LEU H . . 3.900 3.615 3.513 3.667 . 0 0 "[ . 1 . 2]" 1
38 1 29 LEU H 1 29 LEU MD2 . . 4.380 4.224 4.179 4.268 . 0 0 "[ . 1 . 2]" 1
39 1 29 LEU H 1 29 LEU MD1 . . 4.430 4.142 4.093 4.186 . 0 0 "[ . 1 . 2]" 1
40 1 40 ILE HA 1 41 ILE H . . 2.950 2.149 2.141 2.168 . 0 0 "[ . 1 . 2]" 1
41 1 41 ILE H 1 41 ILE HG13 . . 3.620 2.520 2.235 2.663 . 0 0 "[ . 1 . 2]" 1
42 1 41 ILE H 1 41 ILE HG12 . . 3.270 1.916 1.898 1.954 . 0 0 "[ . 1 . 2]" 1
43 1 41 ILE H 1 56 TYR HA . . 3.680 3.518 3.332 3.651 . 0 0 "[ . 1 . 2]" 1
44 1 18 LEU H 1 54 VAL H . . 3.850 3.199 3.041 3.352 . 0 0 "[ . 1 . 2]" 1
45 1 53 PHE H 1 54 VAL H . . 4.370 3.999 3.904 4.183 . 0 0 "[ . 1 . 2]" 1
46 1 53 PHE HA 1 54 VAL H . . 2.880 2.172 2.152 2.191 . 0 0 "[ . 1 . 2]" 1
47 1 53 PHE HB3 1 54 VAL H . . 4.020 3.812 3.702 3.890 . 0 0 "[ . 1 . 2]" 1
48 1 18 LEU HB2 1 54 VAL H . . 4.030 3.233 3.068 3.371 . 0 0 "[ . 1 . 2]" 1
49 1 54 VAL H 1 54 VAL HB . . 3.310 2.566 2.513 2.609 . 0 0 "[ . 1 . 2]" 1
50 1 17 THR MG 1 54 VAL H . . 3.840 3.687 3.502 3.814 . 0 0 "[ . 1 . 2]" 1
51 1 54 VAL H 1 54 VAL MG2 . . 3.470 2.565 2.406 2.690 . 0 0 "[ . 1 . 2]" 1
52 1 20 VAL MG2 1 54 VAL H . . 4.200 2.714 2.260 2.977 . 0 0 "[ . 1 . 2]" 1
53 1 77 VAL H 1 77 VAL HB . . 3.180 2.741 2.676 2.790 . 0 0 "[ . 1 . 2]" 1
54 1 77 VAL H 1 77 VAL MG2 . . 3.490 3.162 3.054 3.281 . 0 0 "[ . 1 . 2]" 1
55 1 74 VAL H 1 77 VAL H . . 3.980 3.205 3.045 3.332 . 0 0 "[ . 1 . 2]" 1
56 1 74 VAL HA 1 75 GLU H . . 2.920 2.213 2.197 2.229 . 0 0 "[ . 1 . 2]" 1
57 1 75 GLU H 1 75 GLU HG2 . . 4.320 2.737 2.585 2.955 . 0 0 "[ . 1 . 2]" 1
58 1 75 GLU H 1 75 GLU HG3 . . 4.320 4.123 3.218 4.321 0.001 13 0 "[ . 1 . 2]" 1
59 1 22 GLY HA2 1 23 GLU H . . 3.150 2.645 2.533 2.984 . 0 0 "[ . 1 . 2]" 1
60 1 23 GLU H 1 23 GLU HB3 . . 3.820 3.749 3.400 3.848 0.028 17 0 "[ . 1 . 2]" 1
61 1 54 VAL HA 1 55 THR H . . 2.940 2.154 2.140 2.184 . 0 0 "[ . 1 . 2]" 1
62 1 55 THR H 1 55 THR HB . . 3.410 2.621 2.466 2.731 . 0 0 "[ . 1 . 2]" 1
63 1 19 TYR H 1 19 TYR QD . . 4.580 4.222 4.201 4.251 . 0 0 "[ . 1 . 2]" 1
64 1 18 LEU HA 1 19 TYR H . . 3.240 2.155 2.146 2.187 . 0 0 "[ . 1 . 2]" 1
65 1 19 TYR H 1 19 TYR HB3 . . 3.580 2.639 2.534 2.712 . 0 0 "[ . 1 . 2]" 1
66 1 18 LEU HB3 1 19 TYR H . . 4.040 3.288 3.109 3.373 . 0 0 "[ . 1 . 2]" 1
67 1 59 MET H 1 59 MET HB3 . . 3.910 2.632 2.419 2.830 . 0 0 "[ . 1 . 2]" 1
68 1 79 LEU HA 1 80 LYS H . . 2.790 2.205 2.158 2.279 . 0 0 "[ . 1 . 2]" 1
69 1 21 TYR HB3 1 80 LYS H . . 4.230 3.605 3.252 3.854 . 0 0 "[ . 1 . 2]" 1
70 1 21 TYR H 1 80 LYS H . . 3.690 2.552 2.165 2.738 . 0 0 "[ . 1 . 2]" 1
71 1 79 LEU HB2 1 80 LYS H . . 4.450 4.090 3.602 4.275 . 0 0 "[ . 1 . 2]" 1
72 1 80 LYS H 1 80 LYS HB3 . . 3.920 3.445 2.813 3.770 . 0 0 "[ . 1 . 2]" 1
73 1 79 LEU HB3 1 80 LYS H . . 3.820 3.012 2.802 3.241 . 0 0 "[ . 1 . 2]" 1
74 1 79 LEU MD1 1 80 LYS H . . 4.690 4.643 4.548 4.691 0.001 1 0 "[ . 1 . 2]" 1
75 1 89 MET HA 1 90 LEU H . . 3.350 2.300 2.142 2.942 . 0 0 "[ . 1 . 2]" 1
76 1 90 LEU H 1 90 LEU HB2 . . 4.110 2.664 2.263 4.029 . 0 0 "[ . 1 . 2]" 1
77 1 90 LEU H 1 90 LEU HB3 . . 4.110 3.243 2.217 3.764 . 0 0 "[ . 1 . 2]" 1
78 1 20 VAL H 1 52 ALA H . . 3.850 3.153 2.799 3.350 . 0 0 "[ . 1 . 2]" 1
79 1 20 VAL HB 1 52 ALA H . . 4.030 3.113 2.893 3.408 . 0 0 "[ . 1 . 2]" 1
80 1 52 ALA H 1 52 ALA MB . . 3.610 2.725 2.640 2.812 . 0 0 "[ . 1 . 2]" 1
81 1 51 CYS HA 1 52 ALA H . . 3.240 2.564 2.476 2.625 . 0 0 "[ . 1 . 2]" 1
82 1 51 CYS HB2 1 52 ALA H . . 3.790 2.427 2.113 3.410 . 0 0 "[ . 1 . 2]" 1
83 1 35 SER H 1 35 SER HB2 . . 3.920 2.892 2.181 2.995 . 0 0 "[ . 1 . 2]" 1
84 1 35 SER H 1 35 SER HB3 . . 3.920 2.253 2.167 2.966 . 0 0 "[ . 1 . 2]" 1
85 1 35 SER H 1 36 PRO HD3 . . 3.530 2.561 2.435 2.647 . 0 0 "[ . 1 . 2]" 1
86 1 35 SER H 1 40 ILE MD . . 3.740 2.601 2.285 3.016 . 0 0 "[ . 1 . 2]" 1
87 1 61 SER HB2 1 62 ALA H . . 3.600 2.570 2.380 2.964 . 0 0 "[ . 1 . 2]" 1
88 1 56 TYR HB2 1 62 ALA H . . 4.210 3.185 2.995 3.499 . 0 0 "[ . 1 . 2]" 1
89 1 62 ALA H 1 63 ASP H . . 3.280 3.111 2.892 3.256 . 0 0 "[ . 1 . 2]" 1
90 1 61 SER HB3 1 62 ALA H . . 4.010 3.532 3.355 3.767 . 0 0 "[ . 1 . 2]" 1
91 1 82 ASN QB 1 83 ILE H . . 3.840 3.071 2.550 3.529 . 0 0 "[ . 1 . 2]" 1
92 1 82 ASN HA 1 83 ILE H . . 3.070 2.291 2.190 2.369 . 0 0 "[ . 1 . 2]" 1
93 1 83 ILE H 1 83 ILE HB . . 3.190 2.655 2.590 2.697 . 0 0 "[ . 1 . 2]" 1
94 1 83 ILE H 1 83 ILE HG13 . . 3.770 3.404 3.308 3.459 . 0 0 "[ . 1 . 2]" 1
95 1 83 ILE H 1 83 ILE HG12 . . 3.580 1.914 1.895 2.016 . 0 0 "[ . 1 . 2]" 1
96 1 66 VAL MG2 1 83 ILE H . . 3.860 2.738 2.337 3.092 . 0 0 "[ . 1 . 2]" 1
97 1 66 VAL MG1 1 83 ILE H . . 4.330 2.655 2.323 2.975 . 0 0 "[ . 1 . 2]" 1
98 1 83 ILE H 1 83 ILE MD . . 3.800 3.242 3.049 3.449 . 0 0 "[ . 1 . 2]" 1
99 1 43 LEU HA 1 44 SER H . . 2.870 2.148 2.140 2.161 . 0 0 "[ . 1 . 2]" 1
100 1 44 SER H 1 54 VAL HA . . 4.250 3.892 3.618 4.088 . 0 0 "[ . 1 . 2]" 1
101 1 44 SER H 1 53 PHE HB2 . . 4.130 3.237 3.063 3.516 . 0 0 "[ . 1 . 2]" 1
102 1 43 LEU HG 1 44 SER H . . 4.140 3.946 3.824 4.060 . 0 0 "[ . 1 . 2]" 1
103 1 43 LEU MD1 1 44 SER H . . 3.630 2.521 2.300 2.782 . 0 0 "[ . 1 . 2]" 1
104 1 81 VAL HA 1 82 ASN H . . 2.980 2.229 2.158 2.273 . 0 0 "[ . 1 . 2]" 1
105 1 19 TYR HB3 1 82 ASN H . . 3.960 3.149 2.754 3.353 . 0 0 "[ . 1 . 2]" 1
106 1 44 SER HB2 1 45 MET H . . 4.800 3.939 2.979 4.331 . 0 0 "[ . 1 . 2]" 1
107 1 44 SER HB3 1 45 MET H . . 4.800 3.573 2.901 4.066 . 0 0 "[ . 1 . 2]" 1
108 1 45 MET H 1 45 MET HG2 . . 4.070 3.612 3.467 3.743 . 0 0 "[ . 1 . 2]" 1
109 1 45 MET H 1 45 MET HB2 . . 3.830 2.457 2.328 2.576 . 0 0 "[ . 1 . 2]" 1
110 1 46 ASP H 1 51 CYS H . . 4.430 3.346 2.983 3.679 . 0 0 "[ . 1 . 2]" 1
111 1 46 ASP H 1 46 ASP HB3 . . 3.780 3.516 2.840 3.788 0.008 15 0 "[ . 1 . 2]" 1
112 1 45 MET HB3 1 46 ASP H . . 3.660 3.169 2.811 3.479 . 0 0 "[ . 1 . 2]" 1
113 1 46 ASP H 1 46 ASP HB2 . . 3.780 2.598 2.421 2.985 . 0 0 "[ . 1 . 2]" 1
114 1 13 ARG H 1 13 ARG HG2 . . 5.070 3.914 1.948 4.812 . 0 0 "[ . 1 . 2]" 1
115 1 13 ARG H 1 13 ARG HG3 . . 5.070 3.899 2.621 4.840 . 0 0 "[ . 1 . 2]" 1
116 1 37 PHE QD 1 65 ALA H . . 4.200 3.391 3.184 3.622 . 0 0 "[ . 1 . 2]" 1
117 1 65 ALA H 1 67 ALA H . . 4.770 3.933 3.856 3.972 . 0 0 "[ . 1 . 2]" 1
118 1 64 GLN HB2 1 65 ALA H . . 3.470 2.267 2.136 2.326 . 0 0 "[ . 1 . 2]" 1
119 1 65 ALA H 1 65 ALA MB . . 2.740 2.232 2.186 2.244 . 0 0 "[ . 1 . 2]" 1
120 1 18 LEU MD1 1 65 ALA H . . 3.990 3.948 3.749 3.994 0.004 13 0 "[ . 1 . 2]" 1
121 1 64 GLN HB3 1 65 ALA H . . 3.410 2.846 2.735 2.984 . 0 0 "[ . 1 . 2]" 1
122 1 41 ILE H 1 57 GLU H . . 4.330 4.145 3.905 4.265 . 0 0 "[ . 1 . 2]" 1
123 1 57 GLU H 1 58 LYS H . . 3.420 2.680 2.569 2.768 . 0 0 "[ . 1 . 2]" 1
124 1 56 TYR QD 1 57 GLU H . . 3.920 3.268 3.198 3.347 . 0 0 "[ . 1 . 2]" 1
125 1 56 TYR HA 1 57 GLU H . . 3.100 2.225 2.208 2.269 . 0 0 "[ . 1 . 2]" 1
126 1 56 TYR HB3 1 57 GLU H . . 3.740 2.954 2.800 3.011 . 0 0 "[ . 1 . 2]" 1
127 1 57 GLU H 1 57 GLU HB3 . . 3.270 2.530 2.356 2.768 . 0 0 "[ . 1 . 2]" 1
128 1 57 GLU H 1 57 GLU HB2 . . 3.350 2.526 2.302 2.701 . 0 0 "[ . 1 . 2]" 1
129 1 41 ILE HG12 1 57 GLU H . . 4.320 3.383 3.010 3.598 . 0 0 "[ . 1 . 2]" 1
130 1 33 ALA H 1 34 PHE H . . 3.100 2.215 2.145 2.285 . 0 0 "[ . 1 . 2]" 1
131 1 30 LEU HA 1 33 ALA H . . 3.760 3.112 3.039 3.221 . 0 0 "[ . 1 . 2]" 1
132 1 61 SER HA 1 64 GLN H . . 3.970 3.319 3.180 3.527 . 0 0 "[ . 1 . 2]" 1
133 1 64 GLN H 1 64 GLN HG2 . . 3.800 3.382 3.156 3.642 . 0 0 "[ . 1 . 2]" 1
134 1 64 GLN H 1 64 GLN HG3 . . 3.870 2.673 2.490 2.776 . 0 0 "[ . 1 . 2]" 1
135 1 64 GLN H 1 64 GLN HB2 . . 3.100 2.323 2.264 2.425 . 0 0 "[ . 1 . 2]" 1
136 1 64 GLN H 1 64 GLN HB3 . . 3.640 3.557 3.537 3.581 . 0 0 "[ . 1 . 2]" 1
137 1 31 ARG H 1 32 GLY H . . 3.250 2.746 2.657 2.839 . 0 0 "[ . 1 . 2]" 1
138 1 29 LEU HA 1 31 ARG H . . 4.280 4.109 3.993 4.212 . 0 0 "[ . 1 . 2]" 1
139 1 28 THR HA 1 31 ARG H . . 3.850 3.518 3.376 3.611 . 0 0 "[ . 1 . 2]" 1
140 1 30 LEU HB2 1 31 ARG H . . 3.200 2.856 2.808 2.958 . 0 0 "[ . 1 . 2]" 1
141 1 31 ARG H 1 31 ARG HB2 . . 3.310 2.287 2.210 2.558 . 0 0 "[ . 1 . 2]" 1
142 1 31 ARG H 1 31 ARG HG2 . . 4.030 3.494 2.085 3.840 . 0 0 "[ . 1 . 2]" 1
143 1 30 LEU HB3 1 31 ARG H . . 4.110 4.022 3.965 4.111 0.001 7 0 "[ . 1 . 2]" 1
144 1 31 ARG H 1 43 LEU MD2 . . 3.660 3.008 2.853 3.143 . 0 0 "[ . 1 . 2]" 1
145 1 31 ARG H 1 31 ARG HG3 . . 4.030 2.764 2.430 3.265 . 0 0 "[ . 1 . 2]" 1
146 1 72 THR HA 1 73 GLN H . . 2.910 2.330 2.257 2.441 . 0 0 "[ . 1 . 2]" 1
147 1 72 THR HB 1 73 GLN H . . 3.040 4.019 3.820 4.118 1.078 1 20 [+*-*****************] 1
148 1 73 GLN H 1 73 GLN HB2 . . 3.850 2.906 2.783 3.105 . 0 0 "[ . 1 . 2]" 1
149 1 73 GLN H 1 73 GLN HB3 . . 3.850 2.697 2.554 2.811 . 0 0 "[ . 1 . 2]" 1
150 1 72 THR MG 1 73 GLN H . . 3.500 3.137 2.970 3.401 . 0 0 "[ . 1 . 2]" 1
151 1 73 GLN H 1 73 GLN HG2 . . 5.030 4.522 4.358 4.598 . 0 0 "[ . 1 . 2]" 1
152 1 73 GLN H 1 73 GLN HG3 . . 5.430 4.653 4.567 4.777 . 0 0 "[ . 1 . 2]" 1
153 1 67 ALA H 1 69 LEU H . . 4.120 4.065 4.005 4.127 0.007 20 0 "[ . 1 . 2]" 1
154 1 67 ALA H 1 68 GLU H . . 2.980 2.305 2.252 2.362 . 0 0 "[ . 1 . 2]" 1
155 1 66 VAL HB 1 67 ALA H . . 3.530 3.208 3.136 3.290 . 0 0 "[ . 1 . 2]" 1
156 1 88 PRO HA 1 89 MET H . . 3.560 2.706 2.507 3.350 . 0 0 "[ . 1 . 2]" 1
157 1 40 ILE HA 1 42 ASP H . . 3.880 3.490 3.345 3.664 . 0 0 "[ . 1 . 2]" 1
158 1 42 ASP H 1 55 THR H . . 3.760 3.018 2.908 3.144 . 0 0 "[ . 1 . 2]" 1
159 1 41 ILE H 1 42 ASP H . . 3.050 2.148 2.085 2.255 . 0 0 "[ . 1 . 2]" 1
160 1 42 ASP H 1 55 THR HB . . 3.530 2.481 2.269 2.741 . 0 0 "[ . 1 . 2]" 1
161 1 42 ASP H 1 42 ASP HB2 . . 4.000 3.015 2.906 3.114 . 0 0 "[ . 1 . 2]" 1
162 1 42 ASP H 1 42 ASP HB3 . . 3.900 3.081 3.020 3.145 . 0 0 "[ . 1 . 2]" 1
163 1 41 ILE HB 1 42 ASP H . . 3.950 3.818 3.677 3.939 . 0 0 "[ . 1 . 2]" 1
164 1 41 ILE HG13 1 42 ASP H . . 3.620 2.461 2.187 2.652 . 0 0 "[ . 1 . 2]" 1
165 1 41 ILE HG12 1 42 ASP H . . 3.880 3.260 2.957 3.563 . 0 0 "[ . 1 . 2]" 1
166 1 59 MET H 1 60 GLU H . . 3.950 2.588 2.305 3.080 . 0 0 "[ . 1 . 2]" 1
167 1 60 GLU H 1 60 GLU HG2 . . 3.970 2.219 1.904 2.452 . 0 0 "[ . 1 . 2]" 1
168 1 60 GLU H 1 60 GLU HG3 . . 3.970 3.147 2.098 3.805 . 0 0 "[ . 1 . 2]" 1
169 1 58 LYS HB2 1 60 GLU H . . 4.280 3.662 3.201 4.026 . 0 0 "[ . 1 . 2]" 1
170 1 59 MET HB2 1 60 GLU H . . 4.420 3.779 3.452 4.147 . 0 0 "[ . 1 . 2]" 1
171 1 60 GLU H 1 60 GLU HB2 . . 4.060 3.485 2.836 3.612 . 0 0 "[ . 1 . 2]" 1
172 1 60 GLU H 1 60 GLU HB3 . . 4.060 2.708 2.424 3.594 . 0 0 "[ . 1 . 2]" 1
173 1 58 LYS HB3 1 60 GLU H . . 4.280 2.854 2.383 3.471 . 0 0 "[ . 1 . 2]" 1
174 1 26 THR H 1 30 LEU H . . 4.310 4.254 3.990 4.314 0.004 14 0 "[ . 1 . 2]" 1
175 1 29 LEU HB3 1 30 LEU H . . 3.180 2.364 2.279 2.432 . 0 0 "[ . 1 . 2]" 1
176 1 30 LEU H 1 30 LEU HB3 . . 3.680 3.566 3.553 3.577 . 0 0 "[ . 1 . 2]" 1
177 1 30 LEU H 1 30 LEU MD2 . . 3.980 2.550 2.409 2.697 . 0 0 "[ . 1 . 2]" 1
178 1 27 PRO HA 1 30 LEU H . . 3.950 3.549 3.445 3.703 . 0 0 "[ . 1 . 2]" 1
179 1 23 GLU HB2 1 24 ASP H . . 4.360 2.414 1.898 3.455 . 0 0 "[ . 1 . 2]" 1
180 1 30 LEU H 1 43 LEU MD2 . . 4.290 4.016 3.881 4.144 . 0 0 "[ . 1 . 2]" 1
181 1 69 LEU H 1 70 ASN H . . 3.060 2.735 2.706 2.792 . 0 0 "[ . 1 . 2]" 1
182 1 70 ASN H 1 70 ASN HB2 . . 3.150 2.938 2.845 3.023 . 0 0 "[ . 1 . 2]" 1
183 1 70 ASN H 1 70 ASN HB3 . . 3.140 2.208 2.170 2.314 . 0 0 "[ . 1 . 2]" 1
184 1 69 LEU QB 1 70 ASN H . . 4.050 2.958 2.622 3.149 . 0 0 "[ . 1 . 2]" 1
185 1 50 ASN H 1 51 CYS H . . 3.350 2.909 2.732 3.015 . 0 0 "[ . 1 . 2]" 1
186 1 50 ASN H 1 50 ASN HB2 . . 4.180 3.541 3.336 3.755 . 0 0 "[ . 1 . 2]" 1
187 1 49 ARG H 1 50 ASN H . . 2.900 2.510 2.215 2.718 . 0 0 "[ . 1 . 2]" 1
188 1 50 ASN H 1 50 ASN HA . . 2.810 2.291 2.276 2.309 . 0 0 "[ . 1 . 2]" 1
189 1 50 ASN H 1 50 ASN HB3 . . 4.180 3.936 3.830 4.055 . 0 0 "[ . 1 . 2]" 1
190 1 16 ASN H 1 17 THR H . . 3.880 2.074 1.904 2.229 . 0 0 "[ . 1 . 2]" 1
191 1 66 VAL H 1 67 ALA H . . 3.250 2.749 2.705 2.799 . 0 0 "[ . 1 . 2]" 1
192 1 63 ASP HA 1 66 VAL H . . 4.050 3.973 3.848 4.048 . 0 0 "[ . 1 . 2]" 1
193 1 62 ALA HA 1 66 VAL H . . 4.580 4.141 3.985 4.324 . 0 0 "[ . 1 . 2]" 1
194 1 66 VAL H 1 66 VAL HB . . 3.010 2.377 2.342 2.420 . 0 0 "[ . 1 . 2]" 1
195 1 66 VAL H 1 66 VAL MG2 . . 2.860 2.503 2.400 2.591 . 0 0 "[ . 1 . 2]" 1
196 1 18 LEU MD2 1 66 VAL H . . 4.100 3.354 3.014 3.666 . 0 0 "[ . 1 . 2]" 1
197 1 63 ASP H 1 63 ASP HB2 . . 3.580 2.742 2.199 3.530 . 0 0 "[ . 1 . 2]" 1
198 1 62 ALA MB 1 63 ASP H . . 3.280 2.250 2.084 2.454 . 0 0 "[ . 1 . 2]" 1
199 1 53 PHE H 1 53 PHE QD . . 3.880 2.961 2.371 3.415 . 0 0 "[ . 1 . 2]" 1
200 1 52 ALA HA 1 53 PHE H . . 3.120 2.374 2.177 2.538 . 0 0 "[ . 1 . 2]" 1
201 1 44 SER HB2 1 53 PHE H . . 5.180 4.235 3.338 5.117 . 0 0 "[ . 1 . 2]" 1
202 1 44 SER HB3 1 53 PHE H . . 5.180 4.064 3.039 5.165 . 0 0 "[ . 1 . 2]" 1
203 1 53 PHE H 1 53 PHE HB2 . . 3.390 2.826 2.616 2.996 . 0 0 "[ . 1 . 2]" 1
204 1 56 TYR QD 1 58 LYS H . . 4.560 4.421 4.336 4.564 0.004 6 0 "[ . 1 . 2]" 1
205 1 56 TYR HB3 1 58 LYS H . . 3.440 2.417 2.312 2.617 . 0 0 "[ . 1 . 2]" 1
206 1 56 TYR HB2 1 58 LYS H . . 3.840 3.570 3.364 3.837 . 0 0 "[ . 1 . 2]" 1
207 1 57 GLU HB3 1 58 LYS H . . 3.390 3.013 2.730 3.211 . 0 0 "[ . 1 . 2]" 1
208 1 58 LYS H 1 58 LYS HB2 . . 3.840 2.685 2.598 2.799 . 0 0 "[ . 1 . 2]" 1
209 1 58 LYS H 1 58 LYS HB3 . . 3.840 3.789 3.744 3.847 0.007 9 0 "[ . 1 . 2]" 1
210 1 58 LYS H 1 58 LYS HG2 . . 4.070 3.733 2.954 4.099 0.029 11 0 "[ . 1 . 2]" 1
211 1 60 GLU H 1 61 SER H . . 3.440 2.909 2.618 3.158 . 0 0 "[ . 1 . 2]" 1
212 1 61 SER H 1 62 ALA H . . 3.160 2.708 2.240 2.906 . 0 0 "[ . 1 . 2]" 1
213 1 58 LYS HB2 1 61 SER H . . 4.130 3.153 2.814 3.677 . 0 0 "[ . 1 . 2]" 1
214 1 60 GLU HB2 1 61 SER H . . 4.440 3.431 2.236 3.932 . 0 0 "[ . 1 . 2]" 1
215 1 60 GLU HB3 1 61 SER H . . 4.440 3.878 3.485 4.261 . 0 0 "[ . 1 . 2]" 1
216 1 58 LYS HB3 1 61 SER H . . 4.130 3.823 3.448 4.129 . 0 0 "[ . 1 . 2]" 1
217 1 61 SER H 1 62 ALA MB . . 4.490 4.272 3.894 4.447 . 0 0 "[ . 1 . 2]" 1
218 1 61 SER H 1 61 SER HB2 . . 3.390 2.453 2.301 2.603 . 0 0 "[ . 1 . 2]" 1
219 1 61 SER H 1 64 GLN HG3 . . 5.500 4.666 4.110 5.182 . 0 0 "[ . 1 . 2]" 1
220 1 68 GLU HB2 1 69 LEU H . . 4.090 2.215 2.182 2.254 . 0 0 "[ . 1 . 2]" 1
221 1 69 LEU H 1 69 LEU QB . . 3.310 2.327 2.303 2.361 . 0 0 "[ . 1 . 2]" 1
222 1 69 LEU H 1 69 LEU HG . . 3.480 2.590 2.533 2.631 . 0 0 "[ . 1 . 2]" 1
223 1 69 LEU H 1 69 LEU MD1 . . 4.360 3.959 3.929 3.979 . 0 0 "[ . 1 . 2]" 1
224 1 24 ASP HA 1 25 MET H . . 3.220 2.730 2.638 2.805 . 0 0 "[ . 1 . 2]" 1
225 1 25 MET H 1 25 MET HB3 . . 3.480 3.376 3.234 3.451 . 0 0 "[ . 1 . 2]" 1
226 1 25 MET H 1 25 MET HG2 . . 3.650 3.409 2.361 3.652 0.002 4 0 "[ . 1 . 2]" 1
227 1 25 MET H 1 25 MET ME . . 4.100 4.018 3.679 4.103 0.003 20 0 "[ . 1 . 2]" 1
228 1 25 MET H 1 25 MET HB2 . . 3.650 3.585 3.548 3.618 . 0 0 "[ . 1 . 2]" 1
229 1 25 MET H 1 77 VAL MG2 . . 4.250 3.990 3.637 4.198 . 0 0 "[ . 1 . 2]" 1
230 1 48 PRO HD2 1 49 ARG H . . 3.970 3.110 2.986 3.167 . 0 0 "[ . 1 . 2]" 1
231 1 46 ASP HB3 1 49 ARG H . . 4.010 2.879 2.685 3.192 . 0 0 "[ . 1 . 2]" 1
232 1 72 THR H 1 72 THR HG1 . . 4.020 4.297 4.179 4.481 0.461 4 0 "[ . 1 . 2]" 1
233 1 71 GLY H 1 72 THR H . . 3.260 2.689 2.575 2.854 . 0 0 "[ . 1 . 2]" 1
234 1 70 ASN HA 1 72 THR H . . 4.980 3.679 3.510 3.961 . 0 0 "[ . 1 . 2]" 1
235 1 72 THR H 1 72 THR MG . . 3.330 2.395 2.318 2.530 . 0 0 "[ . 1 . 2]" 1
236 1 68 GLU H 1 69 LEU H . . 3.130 2.437 2.412 2.449 . 0 0 "[ . 1 . 2]" 1
237 1 68 GLU H 1 68 GLU HG2 . . 3.500 2.859 2.535 3.262 . 0 0 "[ . 1 . 2]" 1
238 1 68 GLU H 1 68 GLU HB2 . . 3.430 2.517 2.432 2.569 . 0 0 "[ . 1 . 2]" 1
239 1 68 GLU H 1 68 GLU HB3 . . 3.770 3.669 3.643 3.680 . 0 0 "[ . 1 . 2]" 1
240 1 83 ILE MD 1 87 GLN HE22 . . 4.640 4.154 3.378 4.624 . 0 0 "[ . 1 . 2]" 1
241 1 21 TYR QD 1 22 GLY H . . 4.310 3.099 1.897 3.789 . 0 0 "[ . 1 . 2]" 1
242 1 22 GLY H 1 51 CYS HA . . 4.200 2.886 2.681 3.233 . 0 0 "[ . 1 . 2]" 1
243 1 21 TYR HA 1 22 GLY H . . 3.120 2.172 2.142 2.267 . 0 0 "[ . 1 . 2]" 1
244 1 21 TYR HB2 1 22 GLY H . . 4.400 4.080 3.868 4.244 . 0 0 "[ . 1 . 2]" 1
245 1 21 TYR HB3 1 22 GLY H . . 4.810 4.273 3.984 4.494 . 0 0 "[ . 1 . 2]" 1
246 1 75 GLU H 1 76 SER H . . 4.010 2.733 2.692 2.800 . 0 0 "[ . 1 . 2]" 1
247 1 75 GLU HA 1 76 SER H . . 3.520 2.907 2.808 2.984 . 0 0 "[ . 1 . 2]" 1
248 1 74 VAL MG2 1 76 SER H . . 5.410 4.558 4.435 4.709 . 0 0 "[ . 1 . 2]" 1
249 1 76 SER H 1 77 VAL MG2 . . 5.500 4.556 4.390 4.765 . 0 0 "[ . 1 . 2]" 1
250 1 26 THR HB 1 28 THR H . . 4.300 3.192 3.004 3.392 . 0 0 "[ . 1 . 2]" 1
251 1 27 PRO HB2 1 28 THR H . . 4.260 2.063 1.905 2.404 . 0 0 "[ . 1 . 2]" 1
252 1 28 THR H 1 28 THR MG . . 4.050 3.769 3.761 3.773 . 0 0 "[ . 1 . 2]" 1
253 1 27 PRO HD2 1 28 THR H . . 4.080 3.093 2.988 3.166 . 0 0 "[ . 1 . 2]" 1
254 1 73 GLN HE22 1 76 SER HA . . 4.520 4.064 3.302 4.469 . 0 0 "[ . 1 . 2]" 1
255 1 31 ARG HA 1 34 PHE H . . 4.080 3.903 3.682 3.964 . 0 0 "[ . 1 . 2]" 1
256 1 34 PHE H 1 34 PHE QD . . 3.430 2.423 2.324 2.582 . 0 0 "[ . 1 . 2]" 1
257 1 34 PHE H 1 34 PHE HB3 . . 3.720 3.593 3.563 3.608 . 0 0 "[ . 1 . 2]" 1
258 1 34 PHE H 1 34 PHE HB2 . . 3.290 2.337 2.302 2.360 . 0 0 "[ . 1 . 2]" 1
259 1 37 PHE H 1 37 PHE HB3 . . 3.670 3.599 3.581 3.621 . 0 0 "[ . 1 . 2]" 1
260 1 37 PHE H 1 37 PHE HB2 . . 3.380 2.380 2.331 2.471 . 0 0 "[ . 1 . 2]" 1
261 1 37 PHE H 1 56 TYR HH . . 3.840 3.396 3.261 3.531 . 0 0 "[ . 1 . 2]" 1
262 1 37 PHE H 1 37 PHE QD . . 3.300 2.377 2.112 2.537 . 0 0 "[ . 1 . 2]" 1
263 1 36 PRO HD3 1 37 PHE H . . 4.370 4.121 4.088 4.256 . 0 0 "[ . 1 . 2]" 1
264 1 36 PRO HB2 1 37 PHE H . . 4.400 2.825 2.246 3.109 . 0 0 "[ . 1 . 2]" 1
265 1 36 PRO HB3 1 37 PHE H . . 4.400 4.094 3.712 4.265 . 0 0 "[ . 1 . 2]" 1
266 1 25 MET HB3 1 26 THR H . . 4.060 3.604 3.501 3.808 . 0 0 "[ . 1 . 2]" 1
267 1 25 MET HA 1 26 THR H . . 2.930 2.292 2.204 2.369 . 0 0 "[ . 1 . 2]" 1
268 1 26 THR H 1 29 LEU HB3 . . 3.670 2.544 2.317 2.756 . 0 0 "[ . 1 . 2]" 1
269 1 26 THR H 1 29 LEU HB2 . . 3.300 2.703 2.481 2.877 . 0 0 "[ . 1 . 2]" 1
270 1 25 MET HB2 1 26 THR H . . 3.600 2.796 2.571 3.073 . 0 0 "[ . 1 . 2]" 1
271 1 26 THR H 1 29 LEU MD2 . . 4.120 3.875 3.684 4.104 . 0 0 "[ . 1 . 2]" 1
272 1 26 THR H 1 29 LEU MD1 . . 3.560 2.306 1.997 2.766 . 0 0 "[ . 1 . 2]" 1
273 1 30 LEU HA 1 32 GLY H . . 4.220 4.280 4.153 4.491 0.271 20 0 "[ . 1 . 2]" 1
274 1 32 GLY H 1 33 ALA H . . 3.210 2.378 2.297 2.516 . 0 0 "[ . 1 . 2]" 1
275 1 31 ARG HB2 1 32 GLY H . . 3.340 2.701 2.427 2.809 . 0 0 "[ . 1 . 2]" 1
276 1 31 ARG HG2 1 32 GLY H . . 5.040 4.925 4.274 5.040 . 0 0 "[ . 1 . 2]" 1
277 1 38 GLY H 1 56 TYR QE . . 3.390 3.073 2.778 3.371 . 0 0 "[ . 1 . 2]" 1
278 1 37 PHE HB3 1 38 GLY H . . 4.200 3.670 3.579 3.795 . 0 0 "[ . 1 . 2]" 1
279 1 37 PHE HB2 1 38 GLY H . . 4.060 2.772 2.671 2.961 . 0 0 "[ . 1 . 2]" 1
280 1 37 PHE H 1 38 GLY H . . 2.890 2.372 2.221 2.678 . 0 0 "[ . 1 . 2]" 1
281 1 50 ASN HA 1 51 CYS H . . 3.560 2.782 2.631 2.918 . 0 0 "[ . 1 . 2]" 1
282 1 51 CYS H 1 51 CYS HB2 . . 4.200 3.568 2.447 3.937 . 0 0 "[ . 1 . 2]" 1
283 1 51 CYS H 1 51 CYS HB3 . . 4.200 3.242 2.855 3.771 . 0 0 "[ . 1 . 2]" 1
284 1 25 MET ME 1 51 CYS H . . 4.370 4.173 4.003 4.335 . 0 0 "[ . 1 . 2]" 1
285 1 46 ASP HB3 1 51 CYS H . . 5.000 3.885 2.810 4.722 . 0 0 "[ . 1 . 2]" 1
286 1 46 ASP HB2 1 51 CYS H . . 4.460 3.539 2.958 4.775 0.315 4 0 "[ . 1 . 2]" 1
287 1 21 TYR HA 1 52 ALA H . . 4.700 3.507 3.329 3.729 . 0 0 "[ . 1 . 2]" 1
288 1 55 THR HB 1 56 TYR H . . 4.620 4.010 3.883 4.190 . 0 0 "[ . 1 . 2]" 1
289 1 40 ILE HA 1 56 TYR H . . 5.500 5.283 5.159 5.404 . 0 0 "[ . 1 . 2]" 1
290 1 56 TYR H 1 62 ALA HA . . 5.500 5.014 4.761 5.293 . 0 0 "[ . 1 . 2]" 1
291 1 58 LYS H 1 61 SER HB2 . . 4.560 3.697 3.351 4.181 . 0 0 "[ . 1 . 2]" 1
292 1 46 ASP HB3 1 50 ASN H . . 4.950 4.376 4.035 4.834 . 0 0 "[ . 1 . 2]" 1
293 1 53 PHE QD 1 54 VAL H . . 4.870 4.625 4.458 4.857 . 0 0 "[ . 1 . 2]" 1
294 1 54 VAL H 1 55 THR H . . 4.690 4.432 4.321 4.510 . 0 0 "[ . 1 . 2]" 1
295 1 17 THR HA 1 54 VAL H . . 5.040 5.034 4.822 5.243 0.203 16 0 "[ . 1 . 2]" 1
296 1 18 LEU MD1 1 54 VAL H . . 4.470 4.465 4.208 4.680 0.210 6 0 "[ . 1 . 2]" 1
297 1 56 TYR HA 1 58 LYS H . . 4.410 3.876 3.730 4.077 . 0 0 "[ . 1 . 2]" 1
298 1 60 GLU H 1 62 ALA H . . 4.810 4.370 4.092 4.579 . 0 0 "[ . 1 . 2]" 1
299 1 56 TYR HB2 1 61 SER H . . 4.940 4.440 4.178 4.648 . 0 0 "[ . 1 . 2]" 1
300 1 61 SER H 1 61 SER HG . . 4.840 3.081 2.052 3.851 . 0 0 "[ . 1 . 2]" 1
301 1 56 TYR HB3 1 62 ALA H . . 4.910 3.941 3.780 4.215 . 0 0 "[ . 1 . 2]" 1
302 1 62 ALA H 1 64 GLN H . . 4.510 4.212 3.952 4.345 . 0 0 "[ . 1 . 2]" 1
303 1 63 ASP H 1 83 ILE MG . . 5.490 5.434 5.257 5.492 0.002 19 0 "[ . 1 . 2]" 1
304 1 61 SER H 1 63 ASP H . . 5.220 4.665 4.364 4.922 . 0 0 "[ . 1 . 2]" 1
305 1 64 GLN H 1 65 ALA MB . . 4.780 4.533 4.431 4.573 . 0 0 "[ . 1 . 2]" 1
306 1 62 ALA MB 1 64 GLN H . . 4.610 4.327 4.205 4.502 . 0 0 "[ . 1 . 2]" 1
307 1 37 PHE QD 1 64 GLN H . . 5.500 5.418 5.305 5.495 . 0 0 "[ . 1 . 2]" 1
308 1 64 GLN H 1 67 ALA H . . 5.500 4.766 4.685 4.848 . 0 0 "[ . 1 . 2]" 1
309 1 62 ALA MB 1 65 ALA H . . 5.270 5.169 5.055 5.239 . 0 0 "[ . 1 . 2]" 1
310 1 37 PHE HB2 1 65 ALA H . . 5.450 4.943 4.770 5.126 . 0 0 "[ . 1 . 2]" 1
311 1 61 SER HB3 1 65 ALA H . . 4.650 4.094 3.742 4.362 . 0 0 "[ . 1 . 2]" 1
312 1 37 PHE HB3 1 65 ALA H . . 4.420 3.834 3.619 4.079 . 0 0 "[ . 1 . 2]" 1
313 1 63 ASP HA 1 65 ALA H . . 4.870 5.061 4.843 5.147 0.277 4 0 "[ . 1 . 2]" 1
314 1 61 SER HA 1 65 ALA H . . 4.310 3.489 3.304 3.711 . 0 0 "[ . 1 . 2]" 1
315 1 56 TYR QE 1 65 ALA H . . 4.670 3.531 3.223 3.725 . 0 0 "[ . 1 . 2]" 1
316 1 56 TYR QD 1 65 ALA H . . 4.730 4.584 4.383 4.687 . 0 0 "[ . 1 . 2]" 1
317 1 37 PHE QE 1 65 ALA H . . 4.720 4.333 4.110 4.508 . 0 0 "[ . 1 . 2]" 1
318 1 64 GLN H 1 65 ALA H . . 3.060 3.048 2.961 3.069 0.009 14 0 "[ . 1 . 2]" 1
319 1 65 ALA H 1 69 LEU H . . 5.450 5.278 5.133 5.416 . 0 0 "[ . 1 . 2]" 1
320 1 64 GLN H 1 66 VAL H . . 4.830 4.491 4.311 4.689 . 0 0 "[ . 1 . 2]" 1
321 1 65 ALA HA 1 67 ALA H . . 4.810 3.753 3.671 3.834 . 0 0 "[ . 1 . 2]" 1
322 1 66 VAL MG1 1 68 GLU H . . 5.240 5.060 4.979 5.132 . 0 0 "[ . 1 . 2]" 1
323 1 65 ALA HA 1 69 LEU H . . 4.420 2.754 2.577 2.910 . 0 0 "[ . 1 . 2]" 1
324 1 69 LEU QB 1 71 GLY H . . 4.800 5.036 4.844 5.161 0.361 10 0 "[ . 1 . 2]" 1
325 1 69 LEU MD2 1 72 THR H . . 4.730 4.714 4.602 4.754 0.024 8 0 "[ . 1 . 2]" 1
326 1 72 THR H 1 79 LEU HB2 . . 4.360 4.157 3.658 4.353 . 0 0 "[ . 1 . 2]" 1
327 1 72 THR H 1 79 LEU H . . 4.240 3.942 3.478 4.238 . 0 0 "[ . 1 . 2]" 1
328 1 69 LEU QB 1 72 THR H . . 4.930 4.484 4.286 4.639 . 0 0 "[ . 1 . 2]" 1
329 1 72 THR H 1 73 GLN H . . 4.560 4.597 4.566 4.619 0.059 8 0 "[ . 1 . 2]" 1
330 1 73 GLN H 1 74 VAL H . . 4.610 3.970 3.882 4.063 . 0 0 "[ . 1 . 2]" 1
331 1 74 VAL HB 1 75 GLU H . . 4.790 2.976 2.916 3.044 . 0 0 "[ . 1 . 2]" 1
332 1 73 GLN HA 1 77 VAL H . . 4.840 3.900 3.784 4.020 . 0 0 "[ . 1 . 2]" 1
333 1 73 GLN HG2 1 77 VAL H . . 4.810 3.309 2.934 3.639 . 0 0 "[ . 1 . 2]" 1
334 1 73 GLN HG3 1 77 VAL H . . 5.110 3.624 3.183 4.150 . 0 0 "[ . 1 . 2]" 1
335 1 73 GLN HE21 1 76 SER HA . . 4.520 2.640 1.942 3.795 . 0 0 "[ . 1 . 2]" 1
336 1 80 LYS H 1 81 VAL H . . 4.430 4.131 4.057 4.198 . 0 0 "[ . 1 . 2]" 1
337 1 21 TYR QD 1 80 LYS H . . 4.760 3.979 3.166 4.610 . 0 0 "[ . 1 . 2]" 1
338 1 22 GLY HA2 1 80 LYS H . . 5.480 3.956 3.443 4.353 . 0 0 "[ . 1 . 2]" 1
339 1 22 GLY HA3 1 80 LYS H . . 5.500 4.668 4.193 4.893 . 0 0 "[ . 1 . 2]" 1
340 1 80 LYS H 1 80 LYS HG3 . . 4.920 3.759 2.826 4.614 . 0 0 "[ . 1 . 2]" 1
341 1 20 VAL HA 1 82 ASN H . . 4.180 3.719 3.596 3.826 . 0 0 "[ . 1 . 2]" 1
342 1 81 VAL HB 1 82 ASN H . . 4.680 3.789 3.671 3.939 . 0 0 "[ . 1 . 2]" 1
343 1 18 LEU HB3 1 84 ALA H . . 5.500 4.591 4.291 5.048 . 0 0 "[ . 1 . 2]" 1
344 1 83 ILE HG12 1 84 ALA H . . 5.500 5.086 4.987 5.162 . 0 0 "[ . 1 . 2]" 1
345 1 45 MET ME 1 46 ASP H . . 5.170 4.975 4.537 5.095 . 0 0 "[ . 1 . 2]" 1
346 1 89 MET HB3 1 90 LEU H . . 4.910 4.044 3.040 4.460 . 0 0 "[ . 1 . 2]" 1
347 1 89 MET HB2 1 90 LEU H . . 4.910 4.160 2.658 4.610 . 0 0 "[ . 1 . 2]" 1
348 1 86 LYS HB2 1 87 GLN H . . 4.810 4.308 2.997 4.647 . 0 0 "[ . 1 . 2]" 1
349 1 86 LYS HB3 1 87 GLN H . . 4.810 4.320 3.885 4.623 . 0 0 "[ . 1 . 2]" 1
350 1 83 ILE MD 1 87 GLN HE21 . . 4.640 4.830 4.732 4.926 0.286 14 0 "[ . 1 . 2]" 1
351 1 89 MET H 1 90 LEU H . . 4.750 4.126 2.647 4.638 . 0 0 "[ . 1 . 2]" 1
352 1 88 PRO HD2 1 89 MET H . . 5.500 4.955 2.919 5.498 . 0 0 "[ . 1 . 2]" 1
353 1 88 PRO HD3 1 89 MET H . . 5.500 5.160 3.986 5.478 . 0 0 "[ . 1 . 2]" 1
354 1 90 LEU HB2 1 91 ASP H . . 5.190 3.841 2.553 4.602 . 0 0 "[ . 1 . 2]" 1
355 1 90 LEU HB3 1 91 ASP H . . 5.190 3.469 2.110 4.355 . 0 0 "[ . 1 . 2]" 1
356 1 44 SER HA 1 45 MET H . . 3.340 2.217 2.171 2.275 . 0 0 "[ . 1 . 2]" 1
357 1 45 MET H 1 45 MET HG3 . . 4.510 4.280 4.082 4.439 . 0 0 "[ . 1 . 2]" 1
358 1 44 SER H 1 52 ALA MB . . 4.770 4.051 3.772 4.423 . 0 0 "[ . 1 . 2]" 1
359 1 43 LEU HB3 1 44 SER H . . 4.600 4.478 4.443 4.513 . 0 0 "[ . 1 . 2]" 1
360 1 43 LEU HB2 1 44 SER H . . 4.600 4.245 4.178 4.293 . 0 0 "[ . 1 . 2]" 1
361 1 42 ASP H 1 43 LEU H . . 4.530 3.948 3.875 4.049 . 0 0 "[ . 1 . 2]" 1
362 1 43 LEU H 1 44 SER H . . 4.460 4.078 3.983 4.167 . 0 0 "[ . 1 . 2]" 1
363 1 43 LEU H 1 43 LEU HG . . 4.690 4.215 4.176 4.278 . 0 0 "[ . 1 . 2]" 1
364 1 42 ASP H 1 54 VAL MG1 . . 5.080 4.283 4.084 4.494 . 0 0 "[ . 1 . 2]" 1
365 1 42 ASP H 1 56 TYR HA . . 5.080 5.017 4.924 5.079 . 0 0 "[ . 1 . 2]" 1
366 1 40 ILE HB 1 41 ILE H . . 4.850 4.322 4.252 4.379 . 0 0 "[ . 1 . 2]" 1
367 1 41 ILE H 1 56 TYR QD . . 4.800 4.730 4.574 5.027 0.227 17 0 "[ . 1 . 2]" 1
368 1 37 PHE QD 1 38 GLY H . . 4.490 4.181 3.997 4.309 . 0 0 "[ . 1 . 2]" 1
369 1 38 GLY H 1 56 TYR HH . . 4.540 3.678 3.393 3.981 . 0 0 "[ . 1 . 2]" 1
370 1 37 PHE H 1 65 ALA MB . . 5.500 5.192 4.939 5.439 . 0 0 "[ . 1 . 2]" 1
371 1 36 PRO HG2 1 37 PHE H . . 5.250 4.186 3.814 4.396 . 0 0 "[ . 1 . 2]" 1
372 1 34 PHE H 1 69 LEU MD1 . . 5.000 4.286 4.110 4.534 . 0 0 "[ . 1 . 2]" 1
373 1 34 PHE H 1 34 PHE QE . . 4.880 4.716 4.643 4.888 0.008 20 0 "[ . 1 . 2]" 1
374 1 32 GLY H 1 34 PHE H . . 4.340 4.133 3.979 4.256 . 0 0 "[ . 1 . 2]" 1
375 1 34 PHE H 1 56 TYR HH . . 4.830 4.626 4.509 4.759 . 0 0 "[ . 1 . 2]" 1
376 1 30 LEU HB2 1 33 ALA H . . 5.500 5.098 5.008 5.176 . 0 0 "[ . 1 . 2]" 1
377 1 31 ARG HB2 1 33 ALA H . . 5.500 4.723 4.564 4.803 . 0 0 "[ . 1 . 2]" 1
378 1 33 ALA H 1 34 PHE HB2 . . 4.660 4.310 4.169 4.392 . 0 0 "[ . 1 . 2]" 1
379 1 31 ARG H 1 33 ALA H . . 4.670 3.773 3.721 3.811 . 0 0 "[ . 1 . 2]" 1
380 1 31 ARG HG3 1 32 GLY H . . 5.040 4.658 4.417 4.790 . 0 0 "[ . 1 . 2]" 1
381 1 30 LEU MD1 1 31 ARG H . . 4.760 4.742 4.667 4.771 0.011 14 0 "[ . 1 . 2]" 1
382 1 30 LEU MD2 1 31 ARG H . . 4.460 4.368 4.297 4.429 . 0 0 "[ . 1 . 2]" 1
383 1 30 LEU H 1 32 GLY H . . 4.380 4.446 4.327 4.556 0.176 1 0 "[ . 1 . 2]" 1
384 1 29 LEU H 1 31 ARG H . . 4.570 3.887 3.799 3.955 . 0 0 "[ . 1 . 2]" 1
385 1 29 LEU H 1 32 GLY H . . 5.310 5.127 5.006 5.191 . 0 0 "[ . 1 . 2]" 1
386 1 28 THR H 1 29 LEU H . . 3.650 2.804 2.608 2.922 . 0 0 "[ . 1 . 2]" 1
387 1 26 THR HG1 1 29 LEU H . . 4.800 3.350 1.899 4.158 . 0 0 "[ . 1 . 2]" 1
388 1 26 THR HB 1 29 LEU H . . 4.410 3.533 3.327 3.798 . 0 0 "[ . 1 . 2]" 1
389 1 29 LEU H 1 29 LEU HB2 . . 3.170 2.327 2.287 2.360 . 0 0 "[ . 1 . 2]" 1
390 1 25 MET H 1 26 THR H . . 4.570 4.497 4.448 4.522 . 0 0 "[ . 1 . 2]" 1
391 1 24 ASP H 1 25 MET H . . 3.430 2.971 2.720 3.276 . 0 0 "[ . 1 . 2]" 1
392 1 23 GLU HA 1 25 MET H . . 4.330 4.308 4.123 4.368 0.038 17 0 "[ . 1 . 2]" 1
393 1 24 ASP HB2 1 25 MET H . . 4.590 4.380 4.224 4.626 0.036 4 0 "[ . 1 . 2]" 1
394 1 24 ASP HB3 1 25 MET H . . 4.590 4.379 4.204 4.508 . 0 0 "[ . 1 . 2]" 1
395 1 23 GLU H 1 24 ASP H . . 4.540 2.192 1.822 2.566 . 0 0 "[ . 1 . 2]" 1
396 1 23 GLU H 1 24 ASP HA . . 4.980 4.615 4.487 4.800 . 0 0 "[ . 1 . 2]" 1
397 1 22 GLY H 1 50 ASN HB3 . . 5.000 3.988 3.396 4.508 . 0 0 "[ . 1 . 2]" 1
398 1 22 GLY H 1 23 GLU H . . 4.880 4.361 4.096 4.424 . 0 0 "[ . 1 . 2]" 1
399 1 22 GLY H 1 52 ALA H . . 5.500 4.972 4.603 5.292 . 0 0 "[ . 1 . 2]" 1
400 1 21 TYR H 1 81 VAL HA . . 4.440 3.695 3.554 3.787 . 0 0 "[ . 1 . 2]" 1
401 1 21 TYR H 1 81 VAL MG1 . . 5.380 4.969 4.718 5.170 . 0 0 "[ . 1 . 2]" 1
402 1 20 VAL HB 1 21 TYR H . . 4.800 3.808 3.664 4.008 . 0 0 "[ . 1 . 2]" 1
403 1 21 TYR H 1 79 LEU MD1 . . 5.500 5.243 5.052 5.414 . 0 0 "[ . 1 . 2]" 1
404 1 20 VAL H 1 52 ALA MB . . 4.650 3.853 3.619 4.018 . 0 0 "[ . 1 . 2]" 1
405 1 19 TYR HB3 1 20 VAL H . . 4.640 4.294 4.182 4.406 . 0 0 "[ . 1 . 2]" 1
406 1 19 TYR HB2 1 20 VAL H . . 4.630 4.491 4.414 4.532 . 0 0 "[ . 1 . 2]" 1
407 1 20 VAL H 1 53 PHE HA . . 4.590 3.069 2.773 3.409 . 0 0 "[ . 1 . 2]" 1
408 1 19 TYR QD 1 20 VAL H . . 4.510 3.778 3.416 4.045 . 0 0 "[ . 1 . 2]" 1
409 1 19 TYR H 1 20 VAL H . . 5.330 4.332 4.201 4.446 . 0 0 "[ . 1 . 2]" 1
410 1 19 TYR H 1 84 ALA H . . 4.570 2.616 2.472 2.962 . 0 0 "[ . 1 . 2]" 1
411 1 19 TYR H 1 81 VAL MG1 . . 4.530 3.506 3.292 3.651 . 0 0 "[ . 1 . 2]" 1
412 1 16 ASN H 1 55 THR MG . . 5.080 4.635 4.361 4.880 . 0 0 "[ . 1 . 2]" 1
413 1 14 LYS HB3 1 15 GLY H . . 4.970 3.472 2.448 4.383 . 0 0 "[ . 1 . 2]" 1
414 1 14 LYS HB2 1 15 GLY H . . 4.970 3.794 2.153 4.563 . 0 0 "[ . 1 . 2]" 1
415 1 14 LYS H 1 14 LYS HG2 . . 5.500 3.585 1.924 5.009 . 0 0 "[ . 1 . 2]" 1
416 1 14 LYS H 1 14 LYS HG3 . . 5.500 3.302 2.125 4.446 . 0 0 "[ . 1 . 2]" 1
417 1 20 VAL H 1 21 TYR H . . 4.960 4.527 4.481 4.563 . 0 0 "[ . 1 . 2]" 1
418 1 33 ALA MB 1 35 SER H . . 4.670 4.390 4.309 4.456 . 0 0 "[ . 1 . 2]" 1
419 1 35 SER H 1 36 PRO HG3 . . 5.490 4.676 4.564 4.770 . 0 0 "[ . 1 . 2]" 1
420 1 34 PHE HB3 1 35 SER H . . 4.440 3.856 3.729 3.982 . 0 0 "[ . 1 . 2]" 1
421 1 33 ALA H 1 35 SER H . . 4.510 3.437 3.331 3.543 . 0 0 "[ . 1 . 2]" 1
422 1 34 PHE QD 1 35 SER H . . 4.710 4.350 4.259 4.483 . 0 0 "[ . 1 . 2]" 1
423 1 59 MET H 1 59 MET HB2 . . 3.910 3.611 3.585 3.640 . 0 0 "[ . 1 . 2]" 1
424 1 48 PRO HB2 1 49 ARG H . . 4.500 2.053 1.905 2.737 . 0 0 "[ . 1 . 2]" 1
425 1 46 ASP HB2 1 49 ARG H . . 4.860 3.966 3.336 4.688 . 0 0 "[ . 1 . 2]" 1
426 1 48 PRO HD3 1 49 ARG H . . 4.420 4.339 4.126 4.399 . 0 0 "[ . 1 . 2]" 1
427 1 49 ARG H 1 50 ASN HA . . 4.760 4.600 4.199 4.743 . 0 0 "[ . 1 . 2]" 1
428 1 64 GLN HB3 1 64 GLN HE22 . . 5.500 4.138 3.524 4.488 . 0 0 "[ . 1 . 2]" 1
429 1 32 GLY H 1 35 SER H . . 4.670 4.668 4.552 4.812 0.142 20 0 "[ . 1 . 2]" 1
430 1 29 LEU H 1 29 LEU HG . . 4.470 4.351 4.317 4.380 . 0 0 "[ . 1 . 2]" 1
431 1 30 LEU H 1 30 LEU HG . . 3.010 2.004 1.931 2.100 . 0 0 "[ . 1 . 2]" 1
432 1 29 LEU HG 1 30 LEU H . . 4.830 4.748 4.675 4.814 . 0 0 "[ . 1 . 2]" 1
433 1 12 PRO HA 1 13 ARG H . . 3.310 2.449 2.151 3.314 0.004 16 0 "[ . 1 . 2]" 1
434 1 30 LEU H 1 31 ARG H . . 3.310 2.659 2.609 2.714 . 0 0 "[ . 1 . 2]" 1
435 1 41 ILE HG13 1 57 GLU H . . 5.480 5.057 4.588 5.306 . 0 0 "[ . 1 . 2]" 1
436 1 55 THR MG 1 57 GLU H . . 5.500 4.583 4.225 4.906 . 0 0 "[ . 1 . 2]" 1
437 1 67 ALA HA 1 70 ASN H . . 4.790 4.381 4.274 4.533 . 0 0 "[ . 1 . 2]" 1
438 1 25 MET ME 1 52 ALA H . . 3.880 3.903 3.732 3.977 0.097 17 0 "[ . 1 . 2]" 1
439 1 22 GLY H 1 25 MET ME . . 3.070 2.211 1.927 2.539 . 0 0 "[ . 1 . 2]" 1
440 1 25 MET ME 1 51 CYS HA . . 2.900 2.918 2.648 3.071 0.171 3 0 "[ . 1 . 2]" 1
441 1 21 TYR HA 1 25 MET ME . . 3.540 3.233 2.997 3.401 . 0 0 "[ . 1 . 2]" 1
442 1 25 MET ME 1 50 ASN HA . . 4.480 4.069 3.807 4.338 . 0 0 "[ . 1 . 2]" 1
443 1 25 MET HA 1 25 MET ME . . 5.190 4.996 4.796 5.092 . 0 0 "[ . 1 . 2]" 1
444 1 22 GLY HA3 1 25 MET ME . . 3.670 2.334 2.022 3.235 . 0 0 "[ . 1 . 2]" 1
445 1 21 TYR HB2 1 25 MET ME . . 5.500 5.239 4.923 5.394 . 0 0 "[ . 1 . 2]" 1
446 1 21 TYR HB3 1 25 MET ME . . 5.500 5.420 5.165 5.512 0.012 17 0 "[ . 1 . 2]" 1
447 1 25 MET ME 1 51 CYS HB2 . . 5.100 4.898 4.566 5.101 0.001 7 0 "[ . 1 . 2]" 1
448 1 25 MET ME 1 51 CYS HB3 . . 5.100 4.935 4.621 5.093 . 0 0 "[ . 1 . 2]" 1
449 1 25 MET ME 1 52 ALA MB . . 2.820 2.558 2.304 2.796 . 0 0 "[ . 1 . 2]" 1
450 1 25 MET ME 1 30 LEU MD2 . . 3.570 2.899 2.480 3.173 . 0 0 "[ . 1 . 2]" 1
451 1 25 MET ME 1 45 MET HG3 . . 5.050 4.477 4.237 4.617 . 0 0 "[ . 1 . 2]" 1
452 1 40 ILE MD 1 56 TYR QD . . 5.340 5.015 4.746 5.111 . 0 0 "[ . 1 . 2]" 1
453 1 40 ILE HA 1 40 ILE MD . . 4.050 3.889 3.851 3.912 . 0 0 "[ . 1 . 2]" 1
454 1 31 ARG HA 1 40 ILE MD . . 3.260 1.949 1.845 2.089 . 0 0 "[ . 1 . 2]" 1
455 1 34 PHE HB3 1 40 ILE MD . . 3.430 2.923 2.648 3.067 . 0 0 "[ . 1 . 2]" 1
456 1 34 PHE HB2 1 40 ILE MD . . 3.450 2.060 1.836 2.216 . 0 0 "[ . 1 . 2]" 1
457 1 40 ILE HB 1 40 ILE MD . . 3.070 2.255 2.188 2.398 . 0 0 "[ . 1 . 2]" 1
458 1 40 ILE MD 1 54 VAL MG2 . . 4.280 3.336 3.067 3.632 . 0 0 "[ . 1 . 2]" 1
459 1 40 ILE MD 1 56 TYR HH . . 4.420 4.336 4.233 4.418 . 0 0 "[ . 1 . 2]" 1
460 1 34 PHE H 1 40 ILE MD . . 4.320 3.067 2.919 3.345 . 0 0 "[ . 1 . 2]" 1
461 1 40 ILE MD 1 56 TYR QE . . 4.190 3.826 3.496 3.929 . 0 0 "[ . 1 . 2]" 1
462 1 22 GLY HA2 1 79 LEU HA . . 5.110 3.303 2.502 3.709 . 0 0 "[ . 1 . 2]" 1
463 1 22 GLY HA3 1 79 LEU HA . . 5.470 3.817 2.945 4.136 . 0 0 "[ . 1 . 2]" 1
464 1 22 GLY HA3 1 25 MET HG3 . . 4.710 2.441 2.206 3.314 . 0 0 "[ . 1 . 2]" 1
465 1 22 GLY HA2 1 77 VAL MG1 . . 4.270 3.729 3.502 3.864 . 0 0 "[ . 1 . 2]" 1
466 1 22 GLY HA3 1 77 VAL MG1 . . 4.480 3.456 2.945 3.694 . 0 0 "[ . 1 . 2]" 1
467 1 38 GLY HA3 1 56 TYR QD . . 4.840 3.386 3.018 3.692 . 0 0 "[ . 1 . 2]" 1
468 1 38 GLY HA3 1 56 TYR QE . . 4.990 3.890 3.578 4.195 . 0 0 "[ . 1 . 2]" 1
469 1 38 GLY HA2 1 56 TYR QD . . 4.840 4.881 4.528 5.213 0.373 10 0 "[ . 1 . 2]" 1
470 1 41 ILE MD 1 57 GLU H . . 4.320 3.772 3.549 3.919 . 0 0 "[ . 1 . 2]" 1
471 1 41 ILE MD 1 56 TYR HA . . 4.720 4.259 4.014 4.385 . 0 0 "[ . 1 . 2]" 1
472 1 41 ILE HA 1 41 ILE MD . . 4.270 4.178 4.176 4.181 . 0 0 "[ . 1 . 2]" 1
473 1 41 ILE MD 1 57 GLU HA . . 3.100 2.072 1.965 2.205 . 0 0 "[ . 1 . 2]" 1
474 1 41 ILE MD 1 55 THR HB . . 4.410 3.452 3.256 3.632 . 0 0 "[ . 1 . 2]" 1
475 1 41 ILE MD 1 57 GLU HB3 . . 4.980 4.500 4.294 4.699 . 0 0 "[ . 1 . 2]" 1
476 1 41 ILE HB 1 41 ILE MD . . 3.050 2.344 2.274 2.395 . 0 0 "[ . 1 . 2]" 1
477 1 41 ILE H 1 41 ILE MD . . 3.760 3.598 3.542 3.630 . 0 0 "[ . 1 . 2]" 1
478 1 41 ILE MD 1 42 ASP H . . 4.230 4.102 3.871 4.230 0.000 11 0 "[ . 1 . 2]" 1
479 1 41 ILE MD 1 57 GLU HB2 . . 3.970 3.424 3.115 3.720 . 0 0 "[ . 1 . 2]" 1
480 1 41 ILE MD 1 42 ASP HB2 . . 4.850 3.824 3.728 3.899 . 0 0 "[ . 1 . 2]" 1
481 1 42 ASP HB2 1 55 THR H . . 4.740 4.556 4.327 4.738 . 0 0 "[ . 1 . 2]" 1
482 1 42 ASP HB2 1 55 THR HB . . 3.690 2.714 2.504 2.840 . 0 0 "[ . 1 . 2]" 1
483 1 41 ILE HG13 1 42 ASP HB2 . . 4.270 2.903 2.742 3.198 . 0 0 "[ . 1 . 2]" 1
484 1 42 ASP HB3 1 55 THR H . . 4.610 3.299 3.047 3.494 . 0 0 "[ . 1 . 2]" 1
485 1 41 ILE HG13 1 42 ASP HB3 . . 4.550 3.689 3.583 3.966 . 0 0 "[ . 1 . 2]" 1
486 1 41 ILE MD 1 42 ASP HB3 . . 4.890 4.675 4.560 4.785 . 0 0 "[ . 1 . 2]" 1
487 1 79 LEU HB2 1 79 LEU MD2 . . 3.600 3.177 3.171 3.183 . 0 0 "[ . 1 . 2]" 1
488 1 79 LEU H 1 79 LEU HB3 . . 3.970 3.611 3.573 3.684 . 0 0 "[ . 1 . 2]" 1
489 1 34 PHE QE 1 69 LEU QB . . 4.760 3.790 3.657 4.040 . 0 0 "[ . 1 . 2]" 1
490 1 18 LEU H 1 18 LEU HB2 . . 3.970 2.906 2.795 2.963 . 0 0 "[ . 1 . 2]" 1
491 1 18 LEU HB2 1 19 TYR H . . 4.420 4.001 3.852 4.120 . 0 0 "[ . 1 . 2]" 1
492 1 18 LEU HB3 1 82 ASN H . . 4.820 3.720 3.539 3.945 . 0 0 "[ . 1 . 2]" 1
493 1 18 LEU HB3 1 81 VAL MG1 . . 3.430 2.087 1.868 2.265 . 0 0 "[ . 1 . 2]" 1
494 1 83 ILE H 1 83 ILE MG . . 4.060 3.770 3.766 3.779 . 0 0 "[ . 1 . 2]" 1
495 1 18 LEU HA 1 83 ILE MG . . 4.620 4.433 4.234 4.570 . 0 0 "[ . 1 . 2]" 1
496 1 83 ILE HA 1 83 ILE MG . . 3.420 2.266 2.157 2.384 . 0 0 "[ . 1 . 2]" 1
497 1 62 ALA HA 1 83 ILE MG . . 5.500 5.492 5.442 5.509 0.009 20 0 "[ . 1 . 2]" 1
498 1 83 ILE HG13 1 83 ILE MG . . 2.830 2.435 2.333 2.548 . 0 0 "[ . 1 . 2]" 1
499 1 83 ILE HG12 1 83 ILE MG . . 3.380 3.190 3.179 3.201 . 0 0 "[ . 1 . 2]" 1
500 1 83 ILE MG 1 84 ALA H . . 4.430 3.300 3.080 3.395 . 0 0 "[ . 1 . 2]" 1
501 1 49 ARG H 1 49 ARG HD2 . . 5.500 4.239 2.295 5.372 . 0 0 "[ . 1 . 2]" 1
502 1 49 ARG H 1 49 ARG HD3 . . 5.500 4.177 1.990 5.208 . 0 0 "[ . 1 . 2]" 1
503 1 28 THR HA 1 31 ARG HD2 . . 4.810 3.469 2.301 4.827 0.017 14 0 "[ . 1 . 2]" 1
504 1 31 ARG HA 1 31 ARG HD2 . . 4.850 4.446 2.519 4.756 . 0 0 "[ . 1 . 2]" 1
505 1 31 ARG HB2 1 31 ARG HD2 . . 4.090 3.264 2.518 3.832 . 0 0 "[ . 1 . 2]" 1
506 1 31 ARG HB3 1 31 ARG HD2 . . 4.210 3.137 2.373 3.710 . 0 0 "[ . 1 . 2]" 1
507 1 31 ARG HD3 1 43 LEU MD2 . . 4.560 3.810 2.088 4.139 . 0 0 "[ . 1 . 2]" 1
508 1 31 ARG HA 1 31 ARG HD3 . . 4.850 4.304 3.967 4.577 . 0 0 "[ . 1 . 2]" 1
509 1 31 ARG HB2 1 31 ARG HD3 . . 4.090 3.081 2.423 4.167 0.077 14 0 "[ . 1 . 2]" 1
510 1 31 ARG HB3 1 31 ARG HD3 . . 4.210 2.654 2.219 3.583 . 0 0 "[ . 1 . 2]" 1
511 1 19 TYR QD 1 82 ASN QB . . 3.720 3.698 3.265 4.217 0.497 7 0 "[ . 1 . 2]" 1
512 1 66 VAL MG2 1 82 ASN QB . . 4.460 3.954 3.782 4.225 . 0 0 "[ . 1 . 2]" 1
513 1 66 VAL MG1 1 82 ASN QB . . 5.500 4.100 3.804 4.452 . 0 0 "[ . 1 . 2]" 1
514 1 29 LEU HB2 1 30 LEU H . . 3.700 3.594 3.545 3.652 . 0 0 "[ . 1 . 2]" 1
515 1 30 LEU H 1 30 LEU HB2 . . 3.500 2.734 2.687 2.792 . 0 0 "[ . 1 . 2]" 1
516 1 30 LEU HB2 1 34 PHE QD . . 4.580 3.934 3.777 4.090 . 0 0 "[ . 1 . 2]" 1
517 1 27 PRO HA 1 30 LEU HB3 . . 5.250 4.868 4.658 5.090 . 0 0 "[ . 1 . 2]" 1
518 1 30 LEU HB3 1 54 VAL HB . . 5.500 5.445 5.267 5.499 . 0 0 "[ . 1 . 2]" 1
519 1 19 TYR QD 1 21 TYR HB2 . . 5.110 3.608 3.362 3.878 . 0 0 "[ . 1 . 2]" 1
520 1 56 TYR HB2 1 57 GLU H . . 4.210 4.122 4.020 4.156 . 0 0 "[ . 1 . 2]" 1
521 1 56 TYR HB2 1 61 SER HB2 . . 4.380 2.601 2.366 2.828 . 0 0 "[ . 1 . 2]" 1
522 1 44 SER HB2 1 53 PHE HB2 . . 5.050 3.745 2.805 4.671 . 0 0 "[ . 1 . 2]" 1
523 1 44 SER HB3 1 53 PHE HB2 . . 5.050 3.859 2.806 4.698 . 0 0 "[ . 1 . 2]" 1
524 1 63 ASP H 1 63 ASP HB3 . . 3.580 2.701 2.181 3.592 0.012 17 0 "[ . 1 . 2]" 1
525 1 19 TYR HB2 1 53 PHE QE . . 4.860 4.285 4.078 4.524 . 0 0 "[ . 1 . 2]" 1
526 1 18 LEU HA 1 19 TYR HB2 . . 4.980 4.382 4.322 4.487 . 0 0 "[ . 1 . 2]" 1
527 1 19 TYR H 1 19 TYR HB2 . . 3.760 2.532 2.455 2.644 . 0 0 "[ . 1 . 2]" 1
528 1 19 TYR HB3 1 53 PHE QE . . 5.500 5.395 5.215 5.498 . 0 0 "[ . 1 . 2]" 1
529 1 18 LEU HA 1 19 TYR HB3 . . 4.860 4.784 4.669 4.860 . 0 0 "[ . 1 . 2]" 1
530 1 72 THR H 1 72 THR HB . . 3.840 2.489 2.348 2.702 . 0 0 "[ . 1 . 2]" 1
531 1 72 THR HB 1 74 VAL MG1 . . 4.550 4.117 4.024 4.180 . 0 0 "[ . 1 . 2]" 1
532 1 37 PHE HB3 1 64 GLN HB3 . . 4.530 3.981 3.702 4.171 . 0 0 "[ . 1 . 2]" 1
533 1 37 PHE HB3 1 61 SER HB3 . . 4.820 3.111 2.645 3.486 . 0 0 "[ . 1 . 2]" 1
534 1 66 VAL MG1 1 70 ASN HB2 . . 3.780 2.973 2.815 3.162 . 0 0 "[ . 1 . 2]" 1
535 1 70 ASN HB2 1 81 VAL H . . 4.680 3.823 3.721 4.019 . 0 0 "[ . 1 . 2]" 1
536 1 70 ASN HB3 1 81 VAL H . . 5.330 4.978 4.863 5.038 . 0 0 "[ . 1 . 2]" 1
537 1 66 VAL MG1 1 70 ASN HB3 . . 4.170 3.911 3.781 4.145 . 0 0 "[ . 1 . 2]" 1
538 1 37 PHE HB2 1 56 TYR HH . . 4.000 2.116 2.040 2.229 . 0 0 "[ . 1 . 2]" 1
539 1 37 PHE HB2 1 65 ALA MB . . 4.240 3.318 3.062 3.523 . 0 0 "[ . 1 . 2]" 1
540 1 37 PHE HB3 1 56 TYR HH . . 4.130 3.662 3.568 3.770 . 0 0 "[ . 1 . 2]" 1
541 1 34 PHE HB2 1 35 SER H . . 5.500 3.137 2.958 3.316 . 0 0 "[ . 1 . 2]" 1
542 1 16 ASN HB2 1 62 ALA MB . . 5.130 4.910 4.583 5.118 . 0 0 "[ . 1 . 2]" 1
543 1 16 ASN HB3 1 62 ALA MB . . 5.130 4.892 4.699 5.049 . 0 0 "[ . 1 . 2]" 1
544 1 17 THR H 1 17 THR HB . . 3.610 2.718 2.615 2.841 . 0 0 "[ . 1 . 2]" 1
545 1 17 THR HB 1 84 ALA MB . . 3.730 2.737 2.160 3.493 . 0 0 "[ . 1 . 2]" 1
546 1 34 PHE HB3 1 54 VAL MG2 . . 5.290 3.842 3.683 4.034 . 0 0 "[ . 1 . 2]" 1
547 1 34 PHE HB3 1 69 LEU MD1 . . 5.500 3.829 3.568 4.226 . 0 0 "[ . 1 . 2]" 1
548 1 34 PHE HB3 1 56 TYR HH . . 3.910 2.091 2.000 2.311 . 0 0 "[ . 1 . 2]" 1
549 1 34 PHE HB2 1 56 TYR HH . . 4.330 3.610 3.514 3.788 . 0 0 "[ . 1 . 2]" 1
550 1 34 PHE HB2 1 54 VAL MG2 . . 4.970 3.401 3.211 3.699 . 0 0 "[ . 1 . 2]" 1
551 1 41 ILE H 1 41 ILE HB . . 3.820 3.620 3.556 3.650 . 0 0 "[ . 1 . 2]" 1
552 1 41 ILE H 1 55 THR HB . . 4.660 3.558 3.432 3.770 . 0 0 "[ . 1 . 2]" 1
553 1 41 ILE HB 1 55 THR HB . . 4.770 4.691 4.492 4.768 . 0 0 "[ . 1 . 2]" 1
554 1 41 ILE HG13 1 55 THR HB . . 3.360 2.366 2.253 2.467 . 0 0 "[ . 1 . 2]" 1
555 1 21 TYR H 1 21 TYR QD . . 4.340 4.159 3.764 4.334 . 0 0 "[ . 1 . 2]" 1
556 1 21 TYR QD 1 51 CYS HA . . 4.800 3.581 2.761 4.125 . 0 0 "[ . 1 . 2]" 1
557 1 21 TYR HA 1 21 TYR QD . . 3.890 2.860 2.235 3.289 . 0 0 "[ . 1 . 2]" 1
558 1 21 TYR QD 1 22 GLY HA2 . . 4.100 3.575 3.245 4.111 0.011 14 0 "[ . 1 . 2]" 1
559 1 21 TYR QD 1 51 CYS HB3 . . 4.660 3.258 2.417 4.196 . 0 0 "[ . 1 . 2]" 1
560 1 21 TYR QD 1 80 LYS HB2 . . 4.460 2.779 2.285 3.377 . 0 0 "[ . 1 . 2]" 1
561 1 21 TYR QD 1 80 LYS HD2 . . 4.810 3.232 2.020 4.817 0.007 17 0 "[ . 1 . 2]" 1
562 1 21 TYR QD 1 80 LYS HD3 . . 4.810 3.160 2.065 4.745 . 0 0 "[ . 1 . 2]" 1
563 1 21 TYR QD 1 80 LYS HB3 . . 4.460 3.694 2.329 4.408 . 0 0 "[ . 1 . 2]" 1
564 1 19 TYR QD 1 82 ASN H . . 4.110 4.209 3.705 4.449 0.339 8 0 "[ . 1 . 2]" 1
565 1 22 GLY H 1 50 ASN HB2 . . 5.000 4.306 3.597 4.757 . 0 0 "[ . 1 . 2]" 1
566 1 23 GLU HA 1 50 ASN HB2 . . 5.190 4.175 3.278 4.650 . 0 0 "[ . 1 . 2]" 1
567 1 60 GLU HA 1 60 GLU HG3 . . 3.950 3.738 3.523 3.862 . 0 0 "[ . 1 . 2]" 1
568 1 23 GLU HA 1 23 GLU HG3 . . 3.850 3.318 2.747 3.858 0.008 8 0 "[ . 1 . 2]" 1
569 1 23 GLU H 1 23 GLU HG2 . . 3.990 3.513 2.127 3.954 . 0 0 "[ . 1 . 2]" 1
570 1 28 THR H 1 28 THR HB . . 3.890 2.609 2.488 2.702 . 0 0 "[ . 1 . 2]" 1
571 1 28 THR HB 1 29 LEU HB3 . . 5.500 5.367 5.267 5.445 . 0 0 "[ . 1 . 2]" 1
572 1 28 THR HB 1 31 ARG HB2 . . 5.500 5.193 5.065 5.381 . 0 0 "[ . 1 . 2]" 1
573 1 28 THR HB 1 29 LEU HB2 . . 4.840 4.280 4.165 4.367 . 0 0 "[ . 1 . 2]" 1
574 1 68 GLU HA 1 68 GLU HG3 . . 3.720 3.665 3.469 3.813 0.093 19 0 "[ . 1 . 2]" 1
575 1 68 GLU H 1 68 GLU HG3 . . 3.970 3.328 2.666 3.889 . 0 0 "[ . 1 . 2]" 1
576 1 37 PHE QE 1 68 GLU HG2 . . 4.450 3.335 3.005 3.703 . 0 0 "[ . 1 . 2]" 1
577 1 34 PHE QD 1 56 TYR HH . . 4.190 2.823 2.712 2.996 . 0 0 "[ . 1 . 2]" 1
578 1 34 PHE QD 1 65 ALA MB . . 3.530 3.185 2.991 3.547 0.017 20 0 "[ . 1 . 2]" 1
579 1 30 LEU HB3 1 34 PHE QD . . 4.380 2.598 2.455 2.751 . 0 0 "[ . 1 . 2]" 1
580 1 18 LEU MD1 1 34 PHE QD . . 3.850 2.847 2.681 3.109 . 0 0 "[ . 1 . 2]" 1
581 1 30 LEU MD1 1 34 PHE QD . . 4.240 4.205 4.109 4.250 0.010 20 0 "[ . 1 . 2]" 1
582 1 34 PHE QD 1 40 ILE MD . . 4.430 3.716 3.515 3.815 . 0 0 "[ . 1 . 2]" 1
583 1 34 PHE QD 1 69 LEU MD2 . . 4.930 4.353 4.239 4.464 . 0 0 "[ . 1 . 2]" 1
584 1 68 GLU HG2 1 69 LEU H . . 5.020 4.364 4.154 4.608 . 0 0 "[ . 1 . 2]" 1
585 1 75 GLU HA 1 75 GLU HG2 . . 3.990 2.913 2.401 3.038 . 0 0 "[ . 1 . 2]" 1
586 1 74 VAL MG2 1 75 GLU HG2 . . 3.720 2.911 2.515 3.813 0.093 15 0 "[ . 1 . 2]" 1
587 1 8 GLU H 1 8 GLU HG2 . . 5.370 3.561 1.942 5.261 . 0 0 "[ . 1 . 2]" 1
588 1 8 GLU H 1 8 GLU HG3 . . 5.370 4.095 3.064 4.923 . 0 0 "[ . 1 . 2]" 1
589 1 75 GLU HA 1 75 GLU HG3 . . 3.990 3.740 3.439 3.844 . 0 0 "[ . 1 . 2]" 1
590 1 57 GLU H 1 57 GLU HG2 . . 4.710 4.483 4.331 4.631 . 0 0 "[ . 1 . 2]" 1
591 1 57 GLU HG2 1 58 LYS HG2 . . 5.500 3.601 2.051 5.360 . 0 0 "[ . 1 . 2]" 1
592 1 57 GLU H 1 57 GLU HG3 . . 4.710 4.481 4.448 4.523 . 0 0 "[ . 1 . 2]" 1
593 1 81 VAL H 1 81 VAL HB . . 3.880 2.724 2.652 2.808 . 0 0 "[ . 1 . 2]" 1
594 1 70 ASN H 1 81 VAL HB . . 4.330 3.832 3.370 4.170 . 0 0 "[ . 1 . 2]" 1
595 1 70 ASN HA 1 81 VAL HB . . 4.020 3.450 3.154 3.675 . 0 0 "[ . 1 . 2]" 1
596 1 66 VAL HA 1 81 VAL HB . . 3.760 2.235 2.003 2.405 . 0 0 "[ . 1 . 2]" 1
597 1 70 ASN HB3 1 81 VAL HB . . 5.060 4.862 4.520 5.030 . 0 0 "[ . 1 . 2]" 1
598 1 66 VAL MG2 1 81 VAL HB . . 3.470 2.900 2.557 3.076 . 0 0 "[ . 1 . 2]" 1
599 1 66 VAL HA 1 69 LEU H . . 4.810 4.471 4.328 4.653 . 0 0 "[ . 1 . 2]" 1
600 1 66 VAL HA 1 70 ASN H . . 4.040 3.530 3.042 3.749 . 0 0 "[ . 1 . 2]" 1
601 1 65 ALA MB 1 66 VAL HA . . 4.810 3.745 3.703 3.765 . 0 0 "[ . 1 . 2]" 1
602 1 66 VAL HA 1 67 ALA HA . . 4.820 4.662 4.646 4.685 . 0 0 "[ . 1 . 2]" 1
603 1 66 VAL HA 1 66 VAL MG2 . . 2.900 2.172 2.083 2.264 . 0 0 "[ . 1 . 2]" 1
604 1 37 PHE QD 1 56 TYR HH . . 4.150 2.811 2.569 3.014 . 0 0 "[ . 1 . 2]" 1
605 1 18 LEU H 1 54 VAL HB . . 4.440 4.274 4.094 4.410 . 0 0 "[ . 1 . 2]" 1
606 1 21 TYR H 1 80 LYS HB2 . . 4.500 3.537 3.085 4.433 . 0 0 "[ . 1 . 2]" 1
607 1 27 PRO HD3 1 45 MET HB2 . . 4.920 3.880 3.698 4.102 . 0 0 "[ . 1 . 2]" 1
608 1 27 PRO HD3 1 45 MET HB3 . . 5.210 3.646 3.391 4.097 . 0 0 "[ . 1 . 2]" 1
609 1 45 MET HB3 1 47 PRO HD3 . . 4.110 3.267 3.221 3.327 . 0 0 "[ . 1 . 2]" 1
610 1 25 MET HB3 1 77 VAL MG1 . . 4.670 2.095 1.975 2.439 . 0 0 "[ . 1 . 2]" 1
611 1 21 TYR HB3 1 80 LYS HB3 . . 3.830 2.971 2.000 3.740 . 0 0 "[ . 1 . 2]" 1
612 1 20 VAL H 1 20 VAL HB . . 3.680 2.662 2.580 2.774 . 0 0 "[ . 1 . 2]" 1
613 1 20 VAL HB 1 34 PHE QE . . 4.820 4.516 4.398 4.681 . 0 0 "[ . 1 . 2]" 1
614 1 20 VAL HB 1 54 VAL MG2 . . 4.420 3.572 3.372 3.758 . 0 0 "[ . 1 . 2]" 1
615 1 18 LEU HB3 1 34 PHE QE . . 4.960 3.954 3.793 4.164 . 0 0 "[ . 1 . 2]" 1
616 1 58 LYS HB2 1 59 MET H . . 4.810 3.821 3.298 4.442 . 0 0 "[ . 1 . 2]" 1
617 1 44 SER HA 1 45 MET HB2 . . 4.870 4.199 4.147 4.245 . 0 0 "[ . 1 . 2]" 1
618 1 28 THR HA 1 32 GLY H . . 5.180 4.789 4.547 4.886 . 0 0 "[ . 1 . 2]" 1
619 1 28 THR HA 1 31 ARG HD3 . . 4.810 3.691 2.147 4.641 . 0 0 "[ . 1 . 2]" 1
620 1 28 THR HA 1 31 ARG HB2 . . 3.480 2.695 2.495 2.882 . 0 0 "[ . 1 . 2]" 1
621 1 28 THR HA 1 30 LEU H . . 4.960 4.663 4.503 4.797 . 0 0 "[ . 1 . 2]" 1
622 1 27 PRO HA 1 30 LEU HB2 . . 3.750 3.397 3.201 3.642 . 0 0 "[ . 1 . 2]" 1
623 1 27 PRO HA 1 43 LEU MD2 . . 3.490 3.276 3.064 3.439 . 0 0 "[ . 1 . 2]" 1
624 1 27 PRO HA 1 30 LEU MD2 . . 4.560 4.343 4.208 4.464 . 0 0 "[ . 1 . 2]" 1
625 1 64 GLN HG2 1 65 ALA H . . 5.000 4.705 4.667 4.763 . 0 0 "[ . 1 . 2]" 1
626 1 64 GLN HG3 1 65 ALA H . . 4.580 4.412 4.238 4.473 . 0 0 "[ . 1 . 2]" 1
627 1 63 ASP H 1 64 GLN HG3 . . 5.080 4.832 4.508 5.058 . 0 0 "[ . 1 . 2]" 1
628 1 37 PHE QD 1 64 GLN HG3 . . 5.140 5.035 4.889 5.133 . 0 0 "[ . 1 . 2]" 1
629 1 73 GLN HA 1 73 GLN HG3 . . 3.690 2.526 2.351 2.836 . 0 0 "[ . 1 . 2]" 1
630 1 73 GLN HG3 1 78 GLN HA . . 3.890 3.317 3.059 3.629 . 0 0 "[ . 1 . 2]" 1
631 1 73 GLN HG2 1 76 SER HA . . 4.170 2.940 2.769 3.149 . 0 0 "[ . 1 . 2]" 1
632 1 73 GLN HG3 1 76 SER HA . . 4.600 3.803 3.541 4.221 . 0 0 "[ . 1 . 2]" 1
633 1 37 PHE HZ 1 69 LEU MD1 . . 4.590 4.311 4.153 4.531 . 0 0 "[ . 1 . 2]" 1
634 1 36 PRO HA 1 36 PRO HG3 . . 4.060 2.991 2.990 2.991 . 0 0 "[ . 1 . 2]" 1
635 1 36 PRO HA 1 38 GLY H . . 4.840 4.551 4.346 4.683 . 0 0 "[ . 1 . 2]" 1
636 1 78 GLN HG2 1 79 LEU H . . 5.390 4.424 4.277 4.590 . 0 0 "[ . 1 . 2]" 1
637 1 78 GLN HG3 1 79 LEU H . . 5.390 4.501 4.435 4.598 . 0 0 "[ . 1 . 2]" 1
638 1 73 GLN HA 1 78 GLN HG2 . . 5.500 3.900 3.669 4.090 . 0 0 "[ . 1 . 2]" 1
639 1 44 SER H 1 44 SER HB2 . . 3.900 2.936 2.420 3.766 . 0 0 "[ . 1 . 2]" 1
640 1 44 SER H 1 44 SER HB3 . . 3.900 3.189 2.549 3.685 . 0 0 "[ . 1 . 2]" 1
641 1 74 VAL H 1 74 VAL HB . . 3.830 3.783 3.752 3.809 . 0 0 "[ . 1 . 2]" 1
642 1 74 VAL H 1 77 VAL HB . . 4.480 4.183 3.995 4.335 . 0 0 "[ . 1 . 2]" 1
643 1 21 TYR QD 1 51 CYS HB2 . . 4.660 4.204 3.633 4.558 . 0 0 "[ . 1 . 2]" 1
644 1 21 TYR HA 1 51 CYS HB2 . . 4.470 3.568 3.136 4.462 . 0 0 "[ . 1 . 2]" 1
645 1 51 CYS HB3 1 52 ALA H . . 3.790 3.318 1.973 3.690 . 0 0 "[ . 1 . 2]" 1
646 1 19 TYR QE 1 51 CYS HB3 . . 3.970 3.416 2.877 3.827 . 0 0 "[ . 1 . 2]" 1
647 1 21 TYR HA 1 51 CYS HB3 . . 4.470 3.400 3.048 3.703 . 0 0 "[ . 1 . 2]" 1
648 1 59 MET HB3 1 60 GLU H . . 4.420 3.982 3.807 4.102 . 0 0 "[ . 1 . 2]" 1
649 1 59 MET HG2 1 60 GLU H . . 5.120 2.488 1.900 3.569 . 0 0 "[ . 1 . 2]" 1
650 1 59 MET HA 1 59 MET HG2 . . 3.930 3.721 3.594 4.195 0.265 15 0 "[ . 1 . 2]" 1
651 1 89 MET HA 1 89 MET HG2 . . 4.250 3.038 2.252 3.849 . 0 0 "[ . 1 . 2]" 1
652 1 12 PRO HB2 1 12 PRO HD3 . . 4.230 3.917 3.917 3.918 . 0 0 "[ . 1 . 2]" 1
653 1 12 PRO HB2 1 12 PRO HD2 . . 4.230 4.044 4.043 4.044 . 0 0 "[ . 1 . 2]" 1
654 1 43 LEU MD1 1 45 MET HG2 . . 4.060 2.607 2.399 2.872 . 0 0 "[ . 1 . 2]" 1
655 1 43 LEU HG 1 45 MET HG2 . . 4.980 4.254 3.830 4.463 . 0 0 "[ . 1 . 2]" 1
656 1 66 VAL HB 1 67 ALA MB . . 4.340 4.168 4.104 4.217 . 0 0 "[ . 1 . 2]" 1
657 1 27 PRO HD3 1 45 MET HG3 . . 4.200 2.916 2.785 3.067 . 0 0 "[ . 1 . 2]" 1
658 1 45 MET HG3 1 52 ALA MB . . 4.170 3.410 3.307 3.595 . 0 0 "[ . 1 . 2]" 1
659 1 43 LEU HG 1 45 MET HG3 . . 5.060 4.748 4.421 5.049 . 0 0 "[ . 1 . 2]" 1
660 1 27 PRO HD3 1 45 MET HG2 . . 4.800 4.620 4.501 4.721 . 0 0 "[ . 1 . 2]" 1
661 1 45 MET HG2 1 52 ALA MB . . 3.690 2.056 1.964 2.312 . 0 0 "[ . 1 . 2]" 1
662 1 30 LEU MD2 1 45 MET HG2 . . 5.140 5.095 4.957 5.144 0.004 14 0 "[ . 1 . 2]" 1
663 1 44 SER HA 1 45 MET HG2 . . 4.890 4.503 4.382 4.584 . 0 0 "[ . 1 . 2]" 1
664 1 76 SER H 1 76 SER HB3 . . 4.060 3.912 3.140 4.111 0.051 18 0 "[ . 1 . 2]" 1
665 1 76 SER HB3 1 77 VAL MG2 . . 4.760 3.919 3.236 4.612 . 0 0 "[ . 1 . 2]" 1
666 1 76 SER H 1 76 SER HB2 . . 4.060 3.487 3.140 3.953 . 0 0 "[ . 1 . 2]" 1
667 1 36 PRO HB2 1 36 PRO HD3 . . 4.350 3.896 3.896 3.897 . 0 0 "[ . 1 . 2]" 1
668 1 48 PRO HB3 1 49 ARG H . . 4.500 3.558 3.443 4.045 . 0 0 "[ . 1 . 2]" 1
669 1 57 GLU HB2 1 58 LYS H . . 4.140 4.088 3.862 4.269 0.129 8 0 "[ . 1 . 2]" 1
670 1 35 SER HA 1 40 ILE MD . . 3.730 3.074 2.938 3.339 . 0 0 "[ . 1 . 2]" 1
671 1 17 THR HA 1 18 LEU HG . . 5.020 3.266 3.194 3.435 . 0 0 "[ . 1 . 2]" 1
672 1 17 THR HA 1 54 VAL HB . . 5.500 5.651 5.419 5.796 0.296 15 0 "[ . 1 . 2]" 1
673 1 17 THR HA 1 18 LEU H . . 3.220 2.306 2.253 2.329 . 0 0 "[ . 1 . 2]" 1
674 1 17 THR HA 1 56 TYR H . . 4.180 3.782 3.596 4.138 . 0 0 "[ . 1 . 2]" 1
675 1 17 THR HA 1 18 LEU HB2 . . 4.940 4.756 4.587 4.802 . 0 0 "[ . 1 . 2]" 1
676 1 17 THR HA 1 62 ALA MB . . 5.390 4.961 4.831 5.150 . 0 0 "[ . 1 . 2]" 1
677 1 25 MET H 1 25 MET HG3 . . 3.650 2.086 1.900 2.239 . 0 0 "[ . 1 . 2]" 1
678 1 25 MET HG3 1 30 LEU MD2 . . 4.620 4.370 3.884 4.563 . 0 0 "[ . 1 . 2]" 1
679 1 25 MET HG3 1 77 VAL MG1 . . 4.010 2.631 2.288 3.471 . 0 0 "[ . 1 . 2]" 1
680 1 37 PHE QE 1 68 GLU HB2 . . 4.440 2.051 1.992 2.181 . 0 0 "[ . 1 . 2]" 1
681 1 37 PHE HZ 1 68 GLU HB2 . . 3.850 2.067 1.998 2.182 . 0 0 "[ . 1 . 2]" 1
682 1 68 GLU HB2 1 69 LEU HG . . 4.300 3.679 3.592 3.762 . 0 0 "[ . 1 . 2]" 1
683 1 67 ALA MB 1 68 GLU HB2 . . 4.530 4.346 4.211 4.476 . 0 0 "[ . 1 . 2]" 1
684 1 25 MET HG2 1 26 THR H . . 5.260 5.139 4.950 5.359 0.099 17 0 "[ . 1 . 2]" 1
685 1 25 MET HG2 1 30 LEU MD2 . . 4.620 3.376 3.027 4.228 . 0 0 "[ . 1 . 2]" 1
686 1 37 PHE HZ 1 68 GLU HB3 . . 3.860 2.658 2.543 2.851 . 0 0 "[ . 1 . 2]" 1
687 1 68 GLU HB3 1 69 LEU H . . 4.050 3.328 3.206 3.405 . 0 0 "[ . 1 . 2]" 1
688 1 37 PHE QD 1 68 GLU HB3 . . 5.500 5.471 5.399 5.504 0.004 14 0 "[ . 1 . 2]" 1
689 1 56 TYR QD 1 61 SER HB2 . . 4.320 2.787 2.515 3.180 . 0 0 "[ . 1 . 2]" 1
690 1 56 TYR HB3 1 61 SER HB2 . . 4.310 2.106 1.998 2.226 . 0 0 "[ . 1 . 2]" 1
691 1 61 SER H 1 61 SER HB3 . . 4.000 3.584 3.567 3.595 . 0 0 "[ . 1 . 2]" 1
692 1 56 TYR QD 1 61 SER HB3 . . 4.110 2.770 2.609 3.035 . 0 0 "[ . 1 . 2]" 1
693 1 56 TYR QE 1 61 SER HB3 . . 4.900 3.260 2.962 3.459 . 0 0 "[ . 1 . 2]" 1
694 1 56 TYR HB3 1 61 SER HB3 . . 4.590 3.222 2.898 3.621 . 0 0 "[ . 1 . 2]" 1
695 1 73 GLN HB2 1 74 VAL H . . 5.370 4.559 4.493 4.594 . 0 0 "[ . 1 . 2]" 1
696 1 73 GLN HB3 1 74 VAL H . . 5.370 4.400 4.350 4.478 . 0 0 "[ . 1 . 2]" 1
697 1 73 GLN HG3 1 77 VAL HA . . 4.550 4.155 3.657 4.775 0.225 5 0 "[ . 1 . 2]" 1
698 1 23 GLU H 1 23 GLU HB2 . . 3.820 2.894 2.589 3.746 . 0 0 "[ . 1 . 2]" 1
699 1 23 GLU HB3 1 24 ASP H . . 4.360 3.506 2.942 4.037 . 0 0 "[ . 1 . 2]" 1
700 1 17 THR HA 1 55 THR HA . . 3.330 2.221 2.018 2.540 . 0 0 "[ . 1 . 2]" 1
701 1 40 ILE HA 1 57 GLU H . . 4.660 4.294 4.132 4.385 . 0 0 "[ . 1 . 2]" 1
702 1 40 ILE HA 1 56 TYR QD . . 4.300 3.411 3.159 3.681 . 0 0 "[ . 1 . 2]" 1
703 1 40 ILE HA 1 41 ILE HG13 . . 4.770 4.541 4.231 4.706 . 0 0 "[ . 1 . 2]" 1
704 1 40 ILE HA 1 41 ILE HG12 . . 4.640 3.705 3.638 3.785 . 0 0 "[ . 1 . 2]" 1
705 1 40 ILE HA 1 40 ILE HG13 . . 3.710 2.927 2.809 3.040 . 0 0 "[ . 1 . 2]" 1
706 1 37 PHE HB3 1 61 SER HA . . 4.250 3.745 3.558 3.899 . 0 0 "[ . 1 . 2]" 1
707 1 61 SER HA 1 64 GLN HB2 . . 4.180 2.054 1.999 2.279 . 0 0 "[ . 1 . 2]" 1
708 1 61 SER HA 1 64 GLN HB3 . . 4.000 3.564 3.461 3.805 . 0 0 "[ . 1 . 2]" 1
709 1 18 LEU HA 1 83 ILE HA . . 3.730 3.156 2.899 3.290 . 0 0 "[ . 1 . 2]" 1
710 1 83 ILE HA 1 83 ILE HG12 . . 4.190 3.062 2.914 3.172 . 0 0 "[ . 1 . 2]" 1
711 1 31 ARG HB2 1 43 LEU MD2 . . 4.790 3.775 3.613 4.104 . 0 0 "[ . 1 . 2]" 1
712 1 31 ARG HB3 1 43 LEU MD2 . . 5.220 4.027 3.894 4.183 . 0 0 "[ . 1 . 2]" 1
713 1 74 VAL HA 1 76 SER H . . 4.670 3.474 3.346 3.627 . 0 0 "[ . 1 . 2]" 1
714 1 41 ILE HA 1 41 ILE HG13 . . 4.050 3.718 3.689 3.738 . 0 0 "[ . 1 . 2]" 1
715 1 58 LYS H 1 58 LYS HD2 . . 5.500 4.835 1.892 5.488 . 0 0 "[ . 1 . 2]" 1
716 1 58 LYS H 1 58 LYS HD3 . . 5.500 4.750 1.886 5.492 . 0 0 "[ . 1 . 2]" 1
717 1 58 LYS HA 1 58 LYS HD2 . . 5.270 4.341 2.366 4.828 . 0 0 "[ . 1 . 2]" 1
718 1 58 LYS HA 1 58 LYS HD3 . . 5.270 4.022 2.411 4.822 . 0 0 "[ . 1 . 2]" 1
719 1 43 LEU HA 1 54 VAL HA . . 3.620 2.468 2.314 2.622 . 0 0 "[ . 1 . 2]" 1
720 1 54 VAL HA 1 55 THR HB . . 4.760 4.660 4.499 4.757 . 0 0 "[ . 1 . 2]" 1
721 1 87 GLN QB 1 88 PRO HD2 . . 5.500 3.906 3.727 4.128 . 0 0 "[ . 1 . 2]" 1
722 1 87 GLN QB 1 88 PRO HD3 . . 5.500 4.446 4.416 4.462 . 0 0 "[ . 1 . 2]" 1
723 1 49 ARG HA 1 49 ARG HG2 . . 3.890 2.974 2.531 3.625 . 0 0 "[ . 1 . 2]" 1
724 1 30 LEU H 1 31 ARG HA . . 5.500 5.234 5.184 5.294 . 0 0 "[ . 1 . 2]" 1
725 1 31 ARG HA 1 34 PHE HB2 . . 4.550 3.750 3.408 3.935 . 0 0 "[ . 1 . 2]" 1
726 1 31 ARG HA 1 31 ARG HG2 . . 3.810 2.296 2.179 2.782 . 0 0 "[ . 1 . 2]" 1
727 1 31 ARG HA 1 31 ARG HG3 . . 3.810 3.123 2.869 3.802 . 0 0 "[ . 1 . 2]" 1
728 1 31 ARG HA 1 35 SER H . . 4.490 4.119 3.961 4.415 . 0 0 "[ . 1 . 2]" 1
729 1 49 ARG H 1 49 ARG HG2 . . 4.300 3.113 2.165 4.303 0.003 20 0 "[ . 1 . 2]" 1
730 1 49 ARG HA 1 49 ARG HG3 . . 3.890 3.379 2.247 3.886 . 0 0 "[ . 1 . 2]" 1
731 1 49 ARG H 1 49 ARG HG3 . . 4.300 3.795 3.371 4.122 . 0 0 "[ . 1 . 2]" 1
732 1 31 ARG HG3 1 43 LEU MD2 . . 3.940 2.103 1.922 3.122 . 0 0 "[ . 1 . 2]" 1
733 1 78 GLN HB3 1 79 LEU H . . 4.770 3.751 3.620 3.891 . 0 0 "[ . 1 . 2]" 1
734 1 78 GLN H 1 78 GLN HB3 . . 3.620 3.487 3.481 3.494 . 0 0 "[ . 1 . 2]" 1
735 1 78 GLN HB2 1 79 LEU H . . 4.770 4.542 4.499 4.581 . 0 0 "[ . 1 . 2]" 1
736 1 64 GLN HB3 1 65 ALA HA . . 4.300 3.972 3.909 4.104 . 0 0 "[ . 1 . 2]" 1
737 1 37 PHE QD 1 64 GLN HB2 . . 4.050 3.338 3.148 3.457 . 0 0 "[ . 1 . 2]" 1
738 1 37 PHE QD 1 64 GLN HB3 . . 3.990 2.384 2.220 2.505 . 0 0 "[ . 1 . 2]" 1
739 1 64 GLN HB3 1 65 ALA MB . . 4.790 4.276 4.187 4.422 . 0 0 "[ . 1 . 2]" 1
740 1 40 ILE MG 1 43 LEU HG . . 4.280 4.201 4.111 4.269 . 0 0 "[ . 1 . 2]" 1
741 1 43 LEU HA 1 43 LEU HG . . 3.680 3.478 3.371 3.541 . 0 0 "[ . 1 . 2]" 1
742 1 27 PRO HA 1 43 LEU HG . . 4.410 4.146 3.964 4.333 . 0 0 "[ . 1 . 2]" 1
743 1 43 LEU HG 1 54 VAL MG1 . . 5.490 5.334 5.194 5.468 . 0 0 "[ . 1 . 2]" 1
744 1 43 LEU HG 1 54 VAL MG2 . . 4.380 4.298 4.100 4.488 0.108 10 0 "[ . 1 . 2]" 1
745 1 60 GLU HA 1 63 ASP H . . 4.030 4.016 3.840 4.276 0.246 16 0 "[ . 1 . 2]" 1
746 1 35 SER H 1 36 PRO HG2 . . 5.490 4.352 4.258 4.446 . 0 0 "[ . 1 . 2]" 1
747 1 73 GLN HB2 1 76 SER HA . . 5.500 5.817 5.612 6.077 0.577 12 2 "[ . 1 + . - 2]" 1
748 1 73 GLN HB3 1 76 SER HA . . 5.500 5.287 5.076 5.463 . 0 0 "[ . 1 . 2]" 1
749 1 46 ASP HA 1 47 PRO HG2 . . 4.940 4.323 4.322 4.324 . 0 0 "[ . 1 . 2]" 1
750 1 26 THR HA 1 27 PRO HG2 . . 4.790 4.566 4.535 4.603 . 0 0 "[ . 1 . 2]" 1
751 1 27 PRO HA 1 27 PRO HG2 . . 4.150 3.912 3.911 3.913 . 0 0 "[ . 1 . 2]" 1
752 1 27 PRO HG2 1 43 LEU MD2 . . 5.500 5.794 5.330 6.028 0.528 11 2 "[ . - 1+ . 2]" 1
753 1 27 PRO HG3 1 43 LEU MD2 . . 5.500 5.239 4.795 5.482 . 0 0 "[ . 1 . 2]" 1
754 1 27 PRO HA 1 27 PRO HG3 . . 4.150 2.990 2.989 2.991 . 0 0 "[ . 1 . 2]" 1
755 1 40 ILE HG12 1 56 TYR QD . . 4.820 3.938 3.568 4.162 . 0 0 "[ . 1 . 2]" 1
756 1 40 ILE HG13 1 56 TYR QD . . 4.820 4.008 3.715 4.222 . 0 0 "[ . 1 . 2]" 1
757 1 40 ILE HG13 1 56 TYR QE . . 4.270 3.224 2.926 3.471 . 0 0 "[ . 1 . 2]" 1
758 1 66 VAL MG2 1 83 ILE HG12 . . 4.010 2.605 2.048 2.980 . 0 0 "[ . 1 . 2]" 1
759 1 66 VAL MG1 1 83 ILE HG12 . . 4.280 1.980 1.974 1.996 . 0 0 "[ . 1 . 2]" 1
760 1 57 GLU HA 1 57 GLU HG2 . . 3.780 3.493 3.109 3.747 . 0 0 "[ . 1 . 2]" 1
761 1 57 GLU HA 1 57 GLU HG3 . . 3.780 2.663 2.563 2.741 . 0 0 "[ . 1 . 2]" 1
762 1 55 THR MG 1 57 GLU HA . . 5.200 4.149 3.948 4.376 . 0 0 "[ . 1 . 2]" 1
763 1 11 ALA HA 1 12 PRO HG2 . . 5.170 4.476 4.374 4.665 . 0 0 "[ . 1 . 2]" 1
764 1 11 ALA HA 1 12 PRO HG3 . . 5.170 4.448 4.380 4.594 . 0 0 "[ . 1 . 2]" 1
765 1 18 LEU MD1 1 19 TYR H . . 5.500 5.177 5.051 5.211 . 0 0 "[ . 1 . 2]" 1
766 1 18 LEU MD1 1 82 ASN H . . 5.500 5.360 5.160 5.737 0.237 13 0 "[ . 1 . 2]" 1
767 1 18 LEU MD1 1 56 TYR QD . . 4.050 2.214 1.936 2.464 . 0 0 "[ . 1 . 2]" 1
768 1 18 LEU HA 1 18 LEU MD1 . . 4.320 3.973 3.926 4.001 . 0 0 "[ . 1 . 2]" 1
769 1 18 LEU MD1 1 66 VAL HA . . 5.470 4.648 4.276 5.148 . 0 0 "[ . 1 . 2]" 1
770 1 18 LEU HB2 1 18 LEU MD1 . . 3.220 2.184 2.094 2.358 . 0 0 "[ . 1 . 2]" 1
771 1 18 LEU MD1 1 54 VAL MG2 . . 4.120 4.224 4.012 4.371 0.251 20 0 "[ . 1 . 2]" 1
772 1 18 LEU H 1 18 LEU MD1 . . 4.480 3.963 3.735 4.140 . 0 0 "[ . 1 . 2]" 1
773 1 18 LEU MD1 1 56 TYR HH . . 5.030 4.346 4.227 4.520 . 0 0 "[ . 1 . 2]" 1
774 1 18 LEU MD1 1 34 PHE QE . . 3.460 2.609 2.337 2.953 . 0 0 "[ . 1 . 2]" 1
775 1 18 LEU MD1 1 56 TYR QE . . 3.330 1.931 1.841 2.029 . 0 0 "[ . 1 . 2]" 1
776 1 17 THR HA 1 18 LEU MD1 . . 4.860 4.595 4.413 4.756 . 0 0 "[ . 1 . 2]" 1
777 1 18 LEU MD1 1 20 VAL MG2 . . 3.970 3.746 3.584 3.937 . 0 0 "[ . 1 . 2]" 1
778 1 59 MET HA 1 61 SER H . . 4.810 4.140 3.577 4.371 . 0 0 "[ . 1 . 2]" 1
779 1 59 MET HA 1 59 MET HG3 . . 3.930 3.943 3.588 4.236 0.306 19 0 "[ . 1 . 2]" 1
780 1 59 MET HA 1 62 ALA H . . 4.130 3.222 2.939 3.409 . 0 0 "[ . 1 . 2]" 1
781 1 16 ASN HB2 1 59 MET HA . . 5.260 4.981 4.095 5.258 . 0 0 "[ . 1 . 2]" 1
782 1 16 ASN HB3 1 59 MET HA . . 5.260 4.695 4.304 5.261 0.001 4 0 "[ . 1 . 2]" 1
783 1 59 MET HA 1 62 ALA MB . . 3.570 2.644 2.286 2.886 . 0 0 "[ . 1 . 2]" 1
784 1 58 LYS HA 1 59 MET HA . . 4.920 4.343 4.307 4.420 . 0 0 "[ . 1 . 2]" 1
785 1 18 LEU HG 1 56 TYR QE . . 4.970 4.347 4.176 4.601 . 0 0 "[ . 1 . 2]" 1
786 1 18 LEU HG 1 62 ALA HA . . 4.950 3.420 3.155 3.557 . 0 0 "[ . 1 . 2]" 1
787 1 18 LEU H 1 18 LEU HG . . 4.280 2.753 2.603 2.995 . 0 0 "[ . 1 . 2]" 1
788 1 63 ASP H 1 64 GLN HA . . 5.490 5.256 5.162 5.365 . 0 0 "[ . 1 . 2]" 1
789 1 37 PHE QE 1 69 LEU HG . . 4.360 2.643 2.302 2.921 . 0 0 "[ . 1 . 2]" 1
790 1 69 LEU HA 1 69 LEU HG . . 4.090 3.232 3.183 3.277 . 0 0 "[ . 1 . 2]" 1
791 1 65 ALA HA 1 69 LEU HG . . 4.470 2.726 2.596 2.921 . 0 0 "[ . 1 . 2]" 1
792 1 41 ILE HG13 1 57 GLU HA . . 4.820 4.561 4.329 4.774 . 0 0 "[ . 1 . 2]" 1
793 1 41 ILE HG12 1 57 GLU HA . . 4.320 3.292 2.968 3.506 . 0 0 "[ . 1 . 2]" 1
794 1 41 ILE HG12 1 57 GLU HB3 . . 5.280 5.087 4.803 5.387 0.107 18 0 "[ . 1 . 2]" 1
795 1 64 GLN HA 1 67 ALA H . . 3.940 3.651 3.574 3.725 . 0 0 "[ . 1 . 2]" 1
796 1 64 GLN HA 1 64 GLN HG2 . . 3.660 2.241 2.197 2.317 . 0 0 "[ . 1 . 2]" 1
797 1 64 GLN HA 1 64 GLN HG3 . . 3.720 3.186 2.996 3.303 . 0 0 "[ . 1 . 2]" 1
798 1 64 GLN HA 1 67 ALA MB . . 3.220 2.676 2.537 2.811 . 0 0 "[ . 1 . 2]" 1
799 1 78 GLN HA 1 79 LEU HG . . 4.570 4.366 3.887 4.571 0.001 9 0 "[ . 1 . 2]" 1
800 1 30 LEU MD2 1 34 PHE QE . . 4.930 2.391 1.962 2.831 . 0 0 "[ . 1 . 2]" 1
801 1 25 MET HB3 1 30 LEU MD2 . . 4.030 3.223 2.953 3.387 . 0 0 "[ . 1 . 2]" 1
802 1 30 LEU MD2 1 34 PHE QD . . 4.790 3.552 3.316 3.770 . 0 0 "[ . 1 . 2]" 1
803 1 25 MET HA 1 30 LEU MD2 . . 4.880 4.294 4.032 4.509 . 0 0 "[ . 1 . 2]" 1
804 1 29 LEU HA 1 30 LEU MD2 . . 5.420 4.746 4.623 4.852 . 0 0 "[ . 1 . 2]" 1
805 1 30 LEU HB2 1 30 LEU MD2 . . 3.310 3.183 3.175 3.193 . 0 0 "[ . 1 . 2]" 1
806 1 25 MET HB2 1 30 LEU MD2 . . 3.770 2.135 1.960 2.329 . 0 0 "[ . 1 . 2]" 1
807 1 30 LEU HB3 1 30 LEU MD2 . . 3.320 2.502 2.411 2.544 . 0 0 "[ . 1 . 2]" 1
808 1 30 LEU MD2 1 54 VAL MG2 . . 4.350 4.062 3.972 4.116 . 0 0 "[ . 1 . 2]" 1
809 1 37 PHE HA 1 37 PHE QE . . 4.830 4.602 4.571 4.662 . 0 0 "[ . 1 . 2]" 1
810 1 37 PHE HA 1 37 PHE QD . . 3.430 2.962 2.878 3.024 . 0 0 "[ . 1 . 2]" 1
811 1 37 PHE HA 1 64 GLN HB3 . . 4.820 4.981 4.708 5.159 0.339 8 0 "[ . 1 . 2]" 1
812 1 29 LEU HA 1 32 GLY H . . 4.450 3.641 3.471 3.781 . 0 0 "[ . 1 . 2]" 1
813 1 29 LEU HA 1 29 LEU HG . . 3.430 2.414 2.386 2.464 . 0 0 "[ . 1 . 2]" 1
814 1 29 LEU HA 1 29 LEU MD1 . . 3.890 3.706 3.676 3.752 . 0 0 "[ . 1 . 2]" 1
815 1 74 VAL H 1 79 LEU MD2 . . 5.270 4.880 3.727 5.232 . 0 0 "[ . 1 . 2]" 1
816 1 79 LEU H 1 79 LEU MD2 . . 3.830 3.577 2.857 3.764 . 0 0 "[ . 1 . 2]" 1
817 1 79 LEU HA 1 79 LEU MD2 . . 4.020 1.958 1.907 2.046 . 0 0 "[ . 1 . 2]" 1
818 1 25 MET HB3 1 79 LEU MD2 . . 3.190 2.543 2.115 2.805 . 0 0 "[ . 1 . 2]" 1
819 1 68 GLU HA 1 68 GLU HG2 . . 3.400 2.712 2.437 2.957 . 0 0 "[ . 1 . 2]" 1
820 1 67 ALA MB 1 68 GLU HA . . 4.120 3.940 3.914 3.960 . 0 0 "[ . 1 . 2]" 1
821 1 74 VAL MG2 1 75 GLU HA . . 4.840 4.489 4.429 4.574 . 0 0 "[ . 1 . 2]" 1
822 1 29 LEU HA 1 29 LEU MD2 . . 3.310 2.984 2.878 3.061 . 0 0 "[ . 1 . 2]" 1
823 1 29 LEU HB3 1 29 LEU MD2 . . 3.210 2.158 2.103 2.232 . 0 0 "[ . 1 . 2]" 1
824 1 18 LEU MD2 1 19 TYR H . . 4.280 3.900 3.716 3.960 . 0 0 "[ . 1 . 2]" 1
825 1 18 LEU MD2 1 82 ASN H . . 4.910 4.799 4.321 5.040 0.130 18 0 "[ . 1 . 2]" 1
826 1 18 LEU MD2 1 84 ALA H . . 4.330 3.667 3.349 4.231 . 0 0 "[ . 1 . 2]" 1
827 1 18 LEU MD2 1 34 PHE QE . . 4.700 4.904 4.789 4.984 0.284 13 0 "[ . 1 . 2]" 1
828 1 18 LEU MD2 1 56 TYR QD . . 4.640 3.336 3.116 3.499 . 0 0 "[ . 1 . 2]" 1
829 1 18 LEU MD2 1 62 ALA H . . 5.300 3.967 3.799 4.166 . 0 0 "[ . 1 . 2]" 1
830 1 18 LEU HA 1 18 LEU MD2 . . 3.290 2.228 2.100 2.398 . 0 0 "[ . 1 . 2]" 1
831 1 29 LEU MD2 1 30 LEU HA . . 3.600 2.955 2.748 3.062 . 0 0 "[ . 1 . 2]" 1
832 1 18 LEU MD2 1 83 ILE HA . . 3.940 2.836 2.557 3.042 . 0 0 "[ . 1 . 2]" 1
833 1 18 LEU MD2 1 62 ALA HA . . 3.810 1.886 1.811 2.034 . 0 0 "[ . 1 . 2]" 1
834 1 18 LEU H 1 18 LEU MD2 . . 4.680 3.740 3.533 4.076 . 0 0 "[ . 1 . 2]" 1
835 1 56 TYR HA 1 56 TYR QD . . 3.480 2.116 1.998 2.241 . 0 0 "[ . 1 . 2]" 1
836 1 56 TYR HA 1 56 TYR QE . . 4.810 4.256 4.216 4.303 . 0 0 "[ . 1 . 2]" 1
837 1 40 ILE HA 1 56 TYR HA . . 3.440 3.167 3.009 3.291 . 0 0 "[ . 1 . 2]" 1
838 1 55 THR MG 1 56 TYR HA . . 5.420 3.786 3.424 4.024 . 0 0 "[ . 1 . 2]" 1
839 1 56 TYR HA 1 57 GLU HB3 . . 5.020 4.736 4.569 4.958 . 0 0 "[ . 1 . 2]" 1
840 1 56 TYR HA 1 57 GLU HB2 . . 5.070 4.573 4.368 4.740 . 0 0 "[ . 1 . 2]" 1
841 1 41 ILE HG12 1 56 TYR HA . . 4.610 3.402 3.185 3.572 . 0 0 "[ . 1 . 2]" 1
842 1 30 LEU HA 1 34 PHE QD . . 3.500 2.518 2.238 2.712 . 0 0 "[ . 1 . 2]" 1
843 1 30 LEU HA 1 34 PHE QE . . 4.340 3.257 2.959 3.455 . 0 0 "[ . 1 . 2]" 1
844 1 30 LEU HA 1 30 LEU HG . . 3.780 3.452 3.403 3.502 . 0 0 "[ . 1 . 2]" 1
845 1 30 LEU HA 1 34 PHE H . . 4.670 3.604 3.450 3.821 . 0 0 "[ . 1 . 2]" 1
846 1 34 PHE QD 1 43 LEU MD2 . . 4.920 4.675 4.497 4.884 . 0 0 "[ . 1 . 2]" 1
847 1 43 LEU HA 1 43 LEU MD2 . . 4.000 3.876 3.841 3.910 . 0 0 "[ . 1 . 2]" 1
848 1 30 LEU HA 1 43 LEU MD2 . . 4.890 4.534 4.439 4.637 . 0 0 "[ . 1 . 2]" 1
849 1 31 ARG HA 1 43 LEU MD2 . . 3.670 2.758 2.597 2.963 . 0 0 "[ . 1 . 2]" 1
850 1 31 ARG HD2 1 43 LEU MD2 . . 4.560 3.479 1.864 4.061 . 0 0 "[ . 1 . 2]" 1
851 1 34 PHE HB2 1 43 LEU MD2 . . 4.680 4.335 4.137 4.507 . 0 0 "[ . 1 . 2]" 1
852 1 27 PRO HB3 1 43 LEU MD2 . . 4.520 3.560 3.013 3.826 . 0 0 "[ . 1 . 2]" 1
853 1 43 LEU MD2 1 54 VAL MG2 . . 3.160 3.117 2.776 3.279 0.119 9 0 "[ . 1 . 2]" 1
854 1 63 ASP HA 1 67 ALA H . . 4.700 4.462 4.207 4.598 . 0 0 "[ . 1 . 2]" 1
855 1 63 ASP HA 1 83 ILE MG . . 4.760 4.743 4.655 4.765 0.005 20 0 "[ . 1 . 2]" 1
856 1 25 MET HA 1 77 VAL HB . . 4.990 4.439 4.078 4.623 . 0 0 "[ . 1 . 2]" 1
857 1 25 MET HA 1 29 LEU MD2 . . 4.730 4.252 3.901 4.459 . 0 0 "[ . 1 . 2]" 1
858 1 25 MET HA 1 26 THR MG . . 4.190 3.869 3.571 4.144 . 0 0 "[ . 1 . 2]" 1
859 1 29 LEU MD1 1 30 LEU H . . 4.540 4.479 4.383 4.550 0.010 14 0 "[ . 1 . 2]" 1
860 1 29 LEU MD1 1 77 VAL HB . . 3.440 3.477 3.294 3.713 0.273 8 0 "[ . 1 . 2]" 1
861 1 29 LEU HB3 1 29 LEU MD1 . . 3.410 2.454 2.409 2.584 . 0 0 "[ . 1 . 2]" 1
862 1 29 LEU HB2 1 29 LEU MD1 . . 3.270 2.228 2.059 2.289 . 0 0 "[ . 1 . 2]" 1
863 1 25 MET HB3 1 29 LEU MD1 . . 4.160 3.243 3.047 3.521 . 0 0 "[ . 1 . 2]" 1
864 1 34 PHE QD 1 69 LEU MD1 . . 4.140 2.635 2.491 2.879 . 0 0 "[ . 1 . 2]" 1
865 1 37 PHE QE 1 69 LEU MD1 . . 3.590 3.101 2.826 3.349 . 0 0 "[ . 1 . 2]" 1
866 1 37 PHE QD 1 69 LEU MD1 . . 4.280 3.437 3.075 3.732 . 0 0 "[ . 1 . 2]" 1
867 1 34 PHE QE 1 69 LEU MD1 . . 3.720 2.417 2.289 2.582 . 0 0 "[ . 1 . 2]" 1
868 1 69 LEU MD1 1 81 VAL MG2 . . 3.880 1.981 1.912 2.112 . 0 0 "[ . 1 . 2]" 1
869 1 57 GLU HG3 1 58 LYS HG2 . . 5.500 4.331 3.249 5.256 . 0 0 "[ . 1 . 2]" 1
870 1 57 GLU HG3 1 58 LYS HG3 . . 5.500 4.343 3.423 5.402 . 0 0 "[ . 1 . 2]" 1
871 1 58 LYS H 1 58 LYS HG3 . . 4.070 3.319 2.892 4.053 . 0 0 "[ . 1 . 2]" 1
872 1 57 GLU HG2 1 58 LYS HG3 . . 5.500 3.469 2.525 4.746 . 0 0 "[ . 1 . 2]" 1
873 1 90 LEU HA 1 90 LEU MD1 . . 4.050 3.485 2.118 4.116 0.066 9 0 "[ . 1 . 2]" 1
874 1 87 GLN QB 1 90 LEU MD1 . . 6.480 4.481 2.164 6.879 0.399 14 0 "[ . 1 . 2]" 1
875 1 43 LEU MD1 1 55 THR H . . 4.650 4.564 4.293 4.723 0.073 2 0 "[ . 1 . 2]" 1
876 1 30 LEU H 1 43 LEU MD1 . . 5.290 4.831 4.676 4.942 . 0 0 "[ . 1 . 2]" 1
877 1 43 LEU MD1 1 44 SER HA . . 4.440 3.701 3.481 4.057 . 0 0 "[ . 1 . 2]" 1
878 1 43 LEU MD1 1 54 VAL HA . . 3.170 2.920 2.597 3.135 . 0 0 "[ . 1 . 2]" 1
879 1 43 LEU MD1 1 44 SER HB2 . . 5.500 4.815 4.481 5.238 . 0 0 "[ . 1 . 2]" 1
880 1 43 LEU MD1 1 44 SER HB3 . . 5.500 4.898 4.420 5.365 . 0 0 "[ . 1 . 2]" 1
881 1 27 PRO HB3 1 43 LEU MD1 . . 4.350 3.929 3.680 4.312 . 0 0 "[ . 1 . 2]" 1
882 1 43 LEU MD1 1 45 MET HB2 . . 4.350 4.312 4.116 4.543 0.193 11 0 "[ . 1 . 2]" 1
883 1 30 LEU HB2 1 43 LEU MD1 . . 3.370 2.599 2.377 2.797 . 0 0 "[ . 1 . 2]" 1
884 1 43 LEU HB2 1 43 LEU MD1 . . 3.450 2.442 2.338 2.504 . 0 0 "[ . 1 . 2]" 1
885 1 43 LEU HB3 1 43 LEU MD1 . . 3.450 3.178 3.171 3.186 . 0 0 "[ . 1 . 2]" 1
886 1 43 LEU MD1 1 54 VAL MG2 . . 3.570 1.883 1.719 1.993 . 0 0 "[ . 1 . 2]" 1
887 1 43 LEU MD1 1 45 MET HG3 . . 3.950 3.574 3.279 3.892 . 0 0 "[ . 1 . 2]" 1
888 1 43 LEU MD1 1 54 VAL MG1 . . 4.410 3.316 3.109 3.514 . 0 0 "[ . 1 . 2]" 1
889 1 21 TYR HB3 1 80 LYS HG2 . . 5.240 4.662 4.017 5.240 . 2 0 "[ . 1 . 2]" 1
890 1 80 LYS H 1 80 LYS HG2 . . 4.920 4.466 4.051 4.769 . 0 0 "[ . 1 . 2]" 1
891 1 21 TYR QD 1 80 LYS HG2 . . 5.160 4.441 3.718 5.029 . 0 0 "[ . 1 . 2]" 1
892 1 80 LYS HG3 1 81 VAL H . . 5.500 4.427 3.520 5.079 . 0 0 "[ . 1 . 2]" 1
893 1 70 ASN HA 1 81 VAL H . . 3.850 2.212 2.108 2.305 . 0 0 "[ . 1 . 2]" 1
894 1 70 ASN HA 1 71 GLY H . . 3.370 2.146 2.144 2.158 . 0 0 "[ . 1 . 2]" 1
895 1 70 ASN HA 1 80 LYS HA . . 4.260 3.131 2.963 3.301 . 0 0 "[ . 1 . 2]" 1
896 1 85 ARG HA 1 85 ARG HD2 . . 5.420 4.367 2.131 5.511 0.091 19 0 "[ . 1 . 2]" 1
897 1 85 ARG HA 1 85 ARG HD3 . . 5.420 4.331 2.517 5.502 0.082 1 0 "[ . 1 . 2]" 1
898 1 23 GLU HA 1 23 GLU HG2 . . 3.850 2.992 2.308 3.863 0.013 4 0 "[ . 1 . 2]" 1
899 1 66 VAL MG2 1 82 ASN H . . 4.310 3.111 2.809 3.412 . 0 0 "[ . 1 . 2]" 1
900 1 66 VAL MG2 1 67 ALA H . . 4.400 4.205 4.178 4.251 . 0 0 "[ . 1 . 2]" 1
901 1 66 VAL MG2 1 82 ASN HA . . 3.160 2.347 2.011 2.715 . 0 0 "[ . 1 . 2]" 1
902 1 63 ASP HA 1 66 VAL MG2 . . 3.930 3.753 3.593 3.939 0.009 5 0 "[ . 1 . 2]" 1
903 1 66 VAL MG2 1 83 ILE HA . . 4.350 2.885 2.753 3.001 . 0 0 "[ . 1 . 2]" 1
904 1 46 ASP H 1 52 ALA MB . . 3.960 3.663 3.328 4.048 0.088 1 0 "[ . 1 . 2]" 1
905 1 52 ALA MB 1 53 PHE HA . . 4.770 3.953 3.785 4.121 . 0 0 "[ . 1 . 2]" 1
906 1 52 ALA MB 1 53 PHE H . . 3.070 2.579 2.298 3.047 . 0 0 "[ . 1 . 2]" 1
907 1 51 CYS HA 1 52 ALA MB . . 4.600 3.719 3.673 3.803 . 0 0 "[ . 1 . 2]" 1
908 1 81 VAL H 1 81 VAL MG1 . . 4.400 3.861 3.837 3.877 . 0 0 "[ . 1 . 2]" 1
909 1 81 VAL MG1 1 82 ASN H . . 3.480 2.163 1.997 2.527 . 0 0 "[ . 1 . 2]" 1
910 1 34 PHE QE 1 81 VAL MG1 . . 3.260 2.425 2.005 2.829 . 0 0 "[ . 1 . 2]" 1
911 1 81 VAL HA 1 81 VAL MG1 . . 3.370 2.308 2.228 2.368 . 0 0 "[ . 1 . 2]" 1
912 1 66 VAL HA 1 81 VAL MG1 . . 3.300 2.850 2.599 3.175 . 0 0 "[ . 1 . 2]" 1
913 1 20 VAL MG1 1 81 VAL MG1 . . 3.770 3.545 3.356 3.756 . 0 0 "[ . 1 . 2]" 1
914 1 53 PHE HA 1 53 PHE QD . . 4.170 2.787 2.469 3.262 . 0 0 "[ . 1 . 2]" 1
915 1 20 VAL MG2 1 53 PHE HA . . 4.540 3.393 2.958 3.703 . 0 0 "[ . 1 . 2]" 1
916 1 21 TYR HA 1 22 GLY HA2 . . 5.260 4.421 4.391 4.498 . 0 0 "[ . 1 . 2]" 1
917 1 21 TYR HA 1 22 GLY HA3 . . 5.500 4.351 4.306 4.394 . 0 0 "[ . 1 . 2]" 1
918 1 69 LEU HA 1 79 LEU MD1 . . 5.500 5.085 4.998 5.156 . 0 0 "[ . 1 . 2]" 1
919 1 78 GLN HA 1 79 LEU MD1 . . 5.500 5.534 5.271 5.708 0.208 6 0 "[ . 1 . 2]" 1
920 1 30 LEU HA 1 79 LEU MD1 . . 4.620 3.561 3.358 3.769 . 0 0 "[ . 1 . 2]" 1
921 1 79 LEU HB2 1 79 LEU MD1 . . 3.590 2.415 2.335 2.479 . 0 0 "[ . 1 . 2]" 1
922 1 79 LEU HB3 1 79 LEU MD1 . . 3.400 2.287 2.165 2.367 . 0 0 "[ . 1 . 2]" 1
923 1 69 LEU MD1 1 79 LEU MD1 . . 4.810 3.387 3.205 3.548 . 0 0 "[ . 1 . 2]" 1
924 1 79 LEU H 1 79 LEU MD1 . . 4.140 4.031 3.817 4.145 0.005 1 0 "[ . 1 . 2]" 1
925 1 34 PHE QE 1 79 LEU MD1 . . 3.990 2.329 2.082 2.517 . 0 0 "[ . 1 . 2]" 1
926 1 80 LYS HA 1 81 VAL H . . 3.260 2.158 2.144 2.171 . 0 0 "[ . 1 . 2]" 1
927 1 21 TYR HA 1 51 CYS HA . . 3.600 2.131 1.999 2.302 . 0 0 "[ . 1 . 2]" 1
928 1 78 GLN HA 1 79 LEU H . . 3.080 2.156 2.140 2.186 . 0 0 "[ . 1 . 2]" 1
929 1 74 VAL MG1 1 78 GLN HA . . 5.050 4.989 4.878 5.047 . 0 0 "[ . 1 . 2]" 1
930 1 89 MET HA 1 89 MET HG3 . . 4.250 3.165 2.266 4.208 . 0 0 "[ . 1 . 2]" 1
931 1 90 LEU HA 1 90 LEU MD2 . . 4.050 2.904 1.987 4.110 0.060 14 0 "[ . 1 . 2]" 1
932 1 49 ARG HA 1 49 ARG HD2 . . 5.240 2.954 2.019 3.955 . 0 0 "[ . 1 . 2]" 1
933 1 49 ARG HA 1 49 ARG HD3 . . 5.240 3.165 2.044 4.188 . 0 0 "[ . 1 . 2]" 1
934 1 30 LEU HB2 1 30 LEU MD1 . . 3.530 2.476 2.437 2.521 . 0 0 "[ . 1 . 2]" 1
935 1 25 MET HB2 1 30 LEU MD1 . . 3.940 3.771 3.543 3.929 . 0 0 "[ . 1 . 2]" 1
936 1 30 LEU MD1 1 54 VAL MG2 . . 3.610 2.715 2.555 2.816 . 0 0 "[ . 1 . 2]" 1
937 1 62 ALA HA 1 65 ALA H . . 4.180 4.270 4.147 4.377 0.197 11 0 "[ . 1 . 2]" 1
938 1 56 TYR QD 1 62 ALA HA . . 3.470 2.280 2.132 2.411 . 0 0 "[ . 1 . 2]" 1
939 1 30 LEU H 1 30 LEU MD1 . . 3.800 3.646 3.597 3.711 . 0 0 "[ . 1 . 2]" 1
940 1 25 MET HB3 1 30 LEU MD1 . . 5.500 5.058 4.828 5.223 . 0 0 "[ . 1 . 2]" 1
941 1 30 LEU MD1 1 45 MET HB2 . . 5.500 4.633 4.365 4.898 . 0 0 "[ . 1 . 2]" 1
942 1 30 LEU MD1 1 45 MET HB3 . . 5.500 4.665 4.400 4.955 . 0 0 "[ . 1 . 2]" 1
943 1 42 ASP HA 1 43 LEU HA . . 4.660 4.385 4.382 4.387 . 0 0 "[ . 1 . 2]" 1
944 1 43 LEU HA 1 43 LEU MD1 . . 3.660 2.050 1.981 2.285 . 0 0 "[ . 1 . 2]" 1
945 1 69 LEU HA 1 72 THR H . . 4.980 3.810 3.688 4.035 . 0 0 "[ . 1 . 2]" 1
946 1 69 LEU HA 1 72 THR MG . . 3.710 1.982 1.924 2.100 . 0 0 "[ . 1 . 2]" 1
947 1 69 LEU HA 1 69 LEU MD1 . . 4.490 3.689 3.665 3.724 . 0 0 "[ . 1 . 2]" 1
948 1 18 LEU MD1 1 65 ALA HA . . 5.140 4.689 4.495 4.839 . 0 0 "[ . 1 . 2]" 1
949 1 65 ALA HA 1 69 LEU QB . . 5.500 3.363 3.026 3.661 . 0 0 "[ . 1 . 2]" 1
950 1 65 ALA HA 1 68 GLU H . . 3.950 3.187 3.097 3.246 . 0 0 "[ . 1 . 2]" 1
951 1 37 PHE QE 1 65 ALA HA . . 4.310 2.816 2.494 3.059 . 0 0 "[ . 1 . 2]" 1
952 1 37 PHE QD 1 65 ALA HA . . 4.440 3.225 3.016 3.390 . 0 0 "[ . 1 . 2]" 1
953 1 65 ALA HA 1 68 GLU HB3 . . 4.910 4.805 4.583 4.905 . 0 0 "[ . 1 . 2]" 1
954 1 65 ALA HA 1 69 LEU MD1 . . 4.270 3.713 3.502 4.029 . 0 0 "[ . 1 . 2]" 1
955 1 79 LEU HA 1 79 LEU MD1 . . 4.060 3.778 3.701 3.853 . 0 0 "[ . 1 . 2]" 1
956 1 66 VAL MG1 1 67 ALA HA . . 3.670 3.373 3.305 3.424 . 0 0 "[ . 1 . 2]" 1
957 1 66 VAL HB 1 67 ALA HA . . 4.930 4.682 4.636 4.734 . 0 0 "[ . 1 . 2]" 1
958 1 17 THR MG 1 18 LEU H . . 3.550 2.037 1.901 2.174 . 0 0 "[ . 1 . 2]" 1
959 1 17 THR MG 1 53 PHE QD . . 3.580 3.253 2.717 3.571 . 0 0 "[ . 1 . 2]" 1
960 1 17 THR MG 1 53 PHE HA . . 4.240 3.452 3.231 3.731 . 0 0 "[ . 1 . 2]" 1
961 1 17 THR HA 1 17 THR MG . . 3.440 2.137 2.068 2.210 . 0 0 "[ . 1 . 2]" 1
962 1 17 THR MG 1 53 PHE HB3 . . 3.340 2.331 2.108 2.536 . 0 0 "[ . 1 . 2]" 1
963 1 17 THR MG 1 84 ALA MB . . 3.270 3.012 2.617 3.486 0.216 5 0 "[ . 1 . 2]" 1
964 1 17 THR MG 1 55 THR HA . . 4.140 3.439 3.120 3.716 . 0 0 "[ . 1 . 2]" 1
965 1 80 LYS H 1 81 VAL MG2 . . 4.430 3.933 3.834 4.042 . 0 0 "[ . 1 . 2]" 1
966 1 80 LYS HA 1 81 VAL MG2 . . 4.020 3.626 3.521 3.749 . 0 0 "[ . 1 . 2]" 1
967 1 69 LEU QB 1 81 VAL MG2 . . 3.610 1.801 1.696 1.912 . 0 0 "[ . 1 . 2]" 1
968 1 21 TYR H 1 81 VAL MG2 . . 4.610 3.792 3.512 3.996 . 0 0 "[ . 1 . 2]" 1
969 1 81 VAL MG2 1 82 ASN H . . 4.960 4.064 3.987 4.236 . 0 0 "[ . 1 . 2]" 1
970 1 81 VAL H 1 81 VAL MG2 . . 3.730 2.344 2.253 2.428 . 0 0 "[ . 1 . 2]" 1
971 1 71 GLY H 1 81 VAL MG2 . . 4.460 4.291 4.087 4.477 0.017 10 0 "[ . 1 . 2]" 1
972 1 69 LEU H 1 81 VAL MG2 . . 4.730 4.350 4.130 4.599 . 0 0 "[ . 1 . 2]" 1
973 1 70 ASN H 1 81 VAL MG2 . . 4.320 3.928 3.489 4.153 . 0 0 "[ . 1 . 2]" 1
974 1 34 PHE QE 1 81 VAL MG2 . . 3.180 2.582 2.301 3.013 . 0 0 "[ . 1 . 2]" 1
975 1 81 VAL HA 1 81 VAL MG2 . . 3.450 2.475 2.411 2.540 . 0 0 "[ . 1 . 2]" 1
976 1 70 ASN HA 1 81 VAL MG2 . . 3.530 3.392 3.132 3.529 . 0 0 "[ . 1 . 2]" 1
977 1 66 VAL HA 1 81 VAL MG2 . . 4.210 3.728 3.477 3.926 . 0 0 "[ . 1 . 2]" 1
978 1 79 LEU HB2 1 81 VAL MG2 . . 4.280 3.857 3.412 4.037 . 0 0 "[ . 1 . 2]" 1
979 1 69 LEU MD2 1 81 VAL MG2 . . 3.940 3.597 3.520 3.738 . 0 0 "[ . 1 . 2]" 1
980 1 20 VAL MG2 1 81 VAL MG2 . . 3.510 2.102 1.904 2.639 . 0 0 "[ . 1 . 2]" 1
981 1 68 GLU HG3 1 69 LEU MD2 . . 5.500 5.469 5.369 5.502 0.002 8 0 "[ . 1 . 2]" 1
982 1 69 LEU H 1 69 LEU MD2 . . 3.920 3.057 2.951 3.169 . 0 0 "[ . 1 . 2]" 1
983 1 69 LEU MD2 1 70 ASN H . . 5.090 4.538 4.506 4.586 . 0 0 "[ . 1 . 2]" 1
984 1 37 PHE QE 1 69 LEU MD2 . . 3.600 1.931 1.855 2.012 . 0 0 "[ . 1 . 2]" 1
985 1 37 PHE HZ 1 69 LEU MD2 . . 3.920 2.455 2.199 2.627 . 0 0 "[ . 1 . 2]" 1
986 1 69 LEU HA 1 69 LEU MD2 . . 2.890 1.908 1.874 1.945 . 0 0 "[ . 1 . 2]" 1
987 1 33 ALA HA 1 69 LEU MD2 . . 4.740 4.433 4.201 4.631 . 0 0 "[ . 1 . 2]" 1
988 1 69 LEU MD2 1 72 THR HB . . 4.040 3.472 3.290 3.614 . 0 0 "[ . 1 . 2]" 1
989 1 68 GLU HB2 1 69 LEU MD2 . . 4.060 3.648 3.430 3.833 . 0 0 "[ . 1 . 2]" 1
990 1 69 LEU QB 1 69 LEU MD2 . . 3.150 2.433 2.397 2.457 . 0 0 "[ . 1 . 2]" 1
991 1 34 PHE QE 1 69 LEU MD2 . . 4.980 4.225 4.078 4.356 . 0 0 "[ . 1 . 2]" 1
992 1 73 GLN HA 1 79 LEU H . . 4.220 3.207 3.023 3.446 . 0 0 "[ . 1 . 2]" 1
993 1 73 GLN HA 1 78 GLN HG3 . . 5.500 3.155 2.943 3.304 . 0 0 "[ . 1 . 2]" 1
994 1 20 VAL MG1 1 21 TYR H . . 3.360 2.189 1.997 2.343 . 0 0 "[ . 1 . 2]" 1
995 1 20 VAL MG1 1 80 LYS H . . 4.160 3.066 2.936 3.274 . 0 0 "[ . 1 . 2]" 1
996 1 20 VAL H 1 20 VAL MG1 . . 3.910 3.846 3.816 3.889 . 0 0 "[ . 1 . 2]" 1
997 1 20 VAL MG1 1 34 PHE QE . . 3.170 2.735 2.506 2.892 . 0 0 "[ . 1 . 2]" 1
998 1 20 VAL MG1 1 81 VAL HA . . 4.290 3.355 3.114 3.595 . 0 0 "[ . 1 . 2]" 1
999 1 20 VAL MG1 1 21 TYR HA . . 4.490 3.632 3.520 3.868 . 0 0 "[ . 1 . 2]" 1
1000 1 20 VAL MG1 1 79 LEU HB2 . . 4.350 4.091 3.470 4.350 . 0 0 "[ . 1 . 2]" 1
1001 1 20 VAL MG1 1 79 LEU HG . . 4.700 4.631 4.542 4.705 0.005 13 0 "[ . 1 . 2]" 1
1002 1 20 VAL MG1 1 25 MET ME . . 3.320 2.997 2.735 3.078 . 0 0 "[ . 1 . 2]" 1
1003 1 20 VAL MG1 1 81 VAL MG2 . . 2.930 2.113 1.937 2.399 . 0 0 "[ . 1 . 2]" 1
1004 1 20 VAL MG1 1 79 LEU MD1 . . 2.780 2.664 2.519 2.766 . 0 0 "[ . 1 . 2]" 1
1005 1 20 VAL MG1 1 54 VAL MG2 . . 3.870 3.604 3.296 3.746 . 0 0 "[ . 1 . 2]" 1
1006 1 20 VAL MG1 1 79 LEU HA . . 4.380 3.793 3.684 3.991 . 0 0 "[ . 1 . 2]" 1
1007 1 21 TYR QE 1 23 GLU H . . 5.500 5.428 5.267 5.511 0.011 17 0 "[ . 1 . 2]" 1
1008 1 21 TYR QE 1 22 GLY HA2 . . 4.570 4.250 3.743 4.539 . 0 0 "[ . 1 . 2]" 1
1009 1 21 TYR QE 1 50 ASN HB2 . . 4.200 3.121 2.284 3.537 . 0 0 "[ . 1 . 2]" 1
1010 1 21 TYR QE 1 50 ASN HB3 . . 4.200 4.329 3.309 4.944 0.744 10 7 "[ ** * +* *- 2]" 1
1011 1 20 VAL MG2 1 82 ASN H . . 4.740 3.981 3.750 4.278 . 0 0 "[ . 1 . 2]" 1
1012 1 20 VAL MG2 1 52 ALA H . . 4.610 4.341 3.967 4.610 . 0 0 "[ . 1 . 2]" 1
1013 1 20 VAL H 1 20 VAL MG2 . . 3.460 2.322 2.132 2.448 . 0 0 "[ . 1 . 2]" 1
1014 1 20 VAL MG2 1 34 PHE QE . . 3.140 2.414 1.981 2.617 . 0 0 "[ . 1 . 2]" 1
1015 1 20 VAL MG2 1 81 VAL HA . . 4.090 3.031 2.780 3.366 . 0 0 "[ . 1 . 2]" 1
1016 1 20 VAL MG2 1 81 VAL HB . . 4.690 4.120 3.899 4.466 . 0 0 "[ . 1 . 2]" 1
1017 1 18 LEU HB2 1 20 VAL MG2 . . 3.630 3.029 2.905 3.246 . 0 0 "[ . 1 . 2]" 1
1018 1 18 LEU HB3 1 20 VAL MG2 . . 3.720 3.658 3.382 3.806 0.086 12 0 "[ . 1 . 2]" 1
1019 1 20 VAL MG2 1 54 VAL HB . . 3.950 2.998 2.792 3.174 . 0 0 "[ . 1 . 2]" 1
1020 1 20 VAL MG2 1 81 VAL MG1 . . 3.030 1.949 1.878 2.069 . 0 0 "[ . 1 . 2]" 1
1021 1 18 LEU HA 1 20 VAL MG2 . . 4.840 4.721 4.619 4.849 0.009 7 0 "[ . 1 . 2]" 1
1022 1 19 TYR HA 1 20 VAL MG2 . . 4.230 3.595 3.434 3.729 . 0 0 "[ . 1 . 2]" 1
1023 1 28 THR MG 1 32 GLY H . . 4.620 4.377 4.154 4.505 . 0 0 "[ . 1 . 2]" 1
1024 1 28 THR HA 1 28 THR MG . . 2.970 2.392 2.295 2.461 . 0 0 "[ . 1 . 2]" 1
1025 1 28 THR MG 1 31 ARG HB2 . . 4.030 3.396 3.139 3.557 . 0 0 "[ . 1 . 2]" 1
1026 1 19 TYR QE 1 53 PHE QE . . 4.350 2.228 2.016 2.513 . 0 0 "[ . 1 . 2]" 1
1027 1 19 TYR QE 1 51 CYS HB2 . . 3.970 3.458 2.768 3.991 0.021 20 0 "[ . 1 . 2]" 1
1028 1 19 TYR QE 1 21 TYR HB2 . . 3.700 2.693 2.261 3.063 . 0 0 "[ . 1 . 2]" 1
1029 1 33 ALA HA 1 74 VAL MG2 . . 4.590 4.313 4.041 4.439 . 0 0 "[ . 1 . 2]" 1
1030 1 33 ALA HA 1 69 LEU MD1 . . 5.060 4.962 4.741 5.065 0.005 20 0 "[ . 1 . 2]" 1
1031 1 26 THR H 1 26 THR MG . . 3.430 3.152 2.723 3.355 . 0 0 "[ . 1 . 2]" 1
1032 1 26 THR HA 1 26 THR MG . . 2.980 2.200 2.064 2.390 . 0 0 "[ . 1 . 2]" 1
1033 1 26 THR MG 1 27 PRO HD3 . . 3.820 3.302 3.084 3.616 . 0 0 "[ . 1 . 2]" 1
1034 1 71 GLY H 1 72 THR MG . . 4.570 4.356 4.184 4.466 . 0 0 "[ . 1 . 2]" 1
1035 1 72 THR HA 1 72 THR MG . . 2.900 3.171 3.161 3.182 0.282 15 0 "[ . 1 . 2]" 1
1036 1 55 THR H 1 55 THR MG . . 4.110 3.841 3.770 3.892 . 0 0 "[ . 1 . 2]" 1
1037 1 55 THR MG 1 56 TYR H . . 3.330 2.324 2.063 2.638 . 0 0 "[ . 1 . 2]" 1
1038 1 42 ASP H 1 55 THR MG . . 4.180 3.856 3.526 4.042 . 0 0 "[ . 1 . 2]" 1
1039 1 16 ASN HD22 1 55 THR MG . . 4.300 3.161 2.346 4.308 0.008 20 0 "[ . 1 . 2]" 1
1040 1 17 THR HA 1 55 THR MG . . 3.840 2.890 2.591 3.298 . 0 0 "[ . 1 . 2]" 1
1041 1 55 THR HA 1 55 THR MG . . 3.220 2.374 2.279 2.504 . 0 0 "[ . 1 . 2]" 1
1042 1 16 ASN HB2 1 55 THR MG . . 4.080 2.619 2.120 4.069 . 0 0 "[ . 1 . 2]" 1
1043 1 16 ASN HB3 1 55 THR MG . . 4.080 3.390 2.036 3.881 . 0 0 "[ . 1 . 2]" 1
1044 1 42 ASP HB2 1 55 THR MG . . 4.410 3.403 3.098 3.590 . 0 0 "[ . 1 . 2]" 1
1045 1 42 ASP HB3 1 55 THR MG . . 4.050 3.374 3.237 3.501 . 0 0 "[ . 1 . 2]" 1
1046 1 41 ILE HB 1 55 THR MG . . 4.490 4.440 3.909 4.668 0.178 20 0 "[ . 1 . 2]" 1
1047 1 41 ILE MD 1 55 THR MG . . 3.010 2.059 1.865 2.294 . 0 0 "[ . 1 . 2]" 1
1048 1 16 ASN HD21 1 55 THR MG . . 4.300 2.272 1.807 4.301 0.001 6 0 "[ . 1 . 2]" 1
1049 1 74 VAL MG2 1 75 GLU H . . 3.760 3.483 3.420 3.577 . 0 0 "[ . 1 . 2]" 1
1050 1 74 VAL H 1 74 VAL MG2 . . 4.080 2.275 2.211 2.368 . 0 0 "[ . 1 . 2]" 1
1051 1 33 ALA MB 1 74 VAL MG2 . . 2.990 2.315 2.086 2.461 . 0 0 "[ . 1 . 2]" 1
1052 1 33 ALA H 1 74 VAL MG2 . . 5.460 5.278 5.075 5.430 . 0 0 "[ . 1 . 2]" 1
1053 1 35 SER HA 1 56 TYR QE . . 5.240 3.587 3.388 3.945 . 0 0 "[ . 1 . 2]" 1
1054 1 37 PHE HB3 1 56 TYR QE . . 4.710 3.761 3.605 3.853 . 0 0 "[ . 1 . 2]" 1
1055 1 56 TYR QE 1 61 SER HB2 . . 5.370 4.252 3.922 4.542 . 0 0 "[ . 1 . 2]" 1
1056 1 56 TYR QE 1 65 ALA HA . . 5.440 4.333 4.232 4.462 . 0 0 "[ . 1 . 2]" 1
1057 1 56 TYR QE 1 56 TYR HH . . 3.320 2.219 2.197 2.279 . 0 0 "[ . 1 . 2]" 1
1058 1 34 PHE QD 1 56 TYR QE . . 3.960 3.054 2.891 3.382 . 0 0 "[ . 1 . 2]" 1
1059 1 37 PHE QD 1 56 TYR QE . . 5.030 4.172 4.042 4.263 . 0 0 "[ . 1 . 2]" 1
1060 1 56 TYR QE 1 62 ALA HA . . 3.530 3.406 3.216 3.541 0.011 20 0 "[ . 1 . 2]" 1
1061 1 37 PHE HB2 1 56 TYR QE . . 4.390 3.064 2.899 3.223 . 0 0 "[ . 1 . 2]" 1
1062 1 40 ILE HG12 1 56 TYR QE . . 4.270 3.167 2.871 3.516 . 0 0 "[ . 1 . 2]" 1
1063 1 18 LEU HB2 1 56 TYR QE . . 5.460 4.827 4.519 5.058 . 0 0 "[ . 1 . 2]" 1
1064 1 18 LEU MD2 1 56 TYR QE . . 4.150 3.795 3.530 4.065 . 0 0 "[ . 1 . 2]" 1
1065 1 23 GLU H 1 77 VAL MG1 . . 3.960 2.752 2.146 3.122 . 0 0 "[ . 1 . 2]" 1
1066 1 77 VAL MG1 1 78 GLN H . . 3.370 2.736 2.434 2.953 . 0 0 "[ . 1 . 2]" 1
1067 1 77 VAL H 1 77 VAL MG1 . . 3.900 3.843 3.763 3.894 . 0 0 "[ . 1 . 2]" 1
1068 1 77 VAL MG1 1 79 LEU HA . . 4.300 3.657 3.441 3.911 . 0 0 "[ . 1 . 2]" 1
1069 1 77 VAL HA 1 77 VAL MG1 . . 3.110 2.478 2.434 2.545 . 0 0 "[ . 1 . 2]" 1
1070 1 25 MET HA 1 77 VAL MG1 . . 4.090 3.341 3.105 3.541 . 0 0 "[ . 1 . 2]" 1
1071 1 77 VAL MG1 1 79 LEU H . . 4.400 3.927 3.613 4.239 . 0 0 "[ . 1 . 2]" 1
1072 1 66 VAL H 1 66 VAL MG1 . . 3.790 3.727 3.711 3.744 . 0 0 "[ . 1 . 2]" 1
1073 1 66 VAL MG1 1 70 ASN H . . 4.960 4.580 4.285 4.830 . 0 0 "[ . 1 . 2]" 1
1074 1 66 VAL MG1 1 67 ALA H . . 3.750 3.541 3.533 3.552 . 0 0 "[ . 1 . 2]" 1
1075 1 66 VAL MG1 1 82 ASN HA . . 3.500 2.454 2.249 2.740 . 0 0 "[ . 1 . 2]" 1
1076 1 63 ASP HA 1 66 VAL MG1 . . 3.850 3.792 3.670 3.900 0.050 8 0 "[ . 1 . 2]" 1
1077 1 66 VAL HA 1 66 VAL MG1 . . 3.040 2.524 2.494 2.560 . 0 0 "[ . 1 . 2]" 1
1078 1 66 VAL MG1 1 81 VAL HB . . 4.210 3.846 3.542 4.116 . 0 0 "[ . 1 . 2]" 1
1079 1 66 VAL MG1 1 83 ILE HB . . 4.580 4.178 3.892 4.313 . 0 0 "[ . 1 . 2]" 1
1080 1 66 VAL MG1 1 67 ALA MB . . 3.860 3.781 3.732 3.834 . 0 0 "[ . 1 . 2]" 1
1081 1 77 VAL MG2 1 78 GLN H . . 4.150 3.959 3.826 4.088 . 0 0 "[ . 1 . 2]" 1
1082 1 77 VAL HA 1 77 VAL MG2 . . 2.910 2.202 2.118 2.281 . 0 0 "[ . 1 . 2]" 1
1083 1 25 MET HA 1 77 VAL MG2 . . 3.680 3.238 3.080 3.492 . 0 0 "[ . 1 . 2]" 1
1084 1 24 ASP HB2 1 77 VAL MG2 . . 4.140 2.677 1.943 3.864 . 0 0 "[ . 1 . 2]" 1
1085 1 24 ASP HB3 1 77 VAL MG2 . . 4.140 2.913 2.092 3.540 . 0 0 "[ . 1 . 2]" 1
1086 1 74 VAL MG1 1 75 GLU H . . 4.160 4.079 4.044 4.138 . 0 0 "[ . 1 . 2]" 1
1087 1 74 VAL H 1 74 VAL MG1 . . 3.550 2.390 2.296 2.484 . 0 0 "[ . 1 . 2]" 1
1088 1 73 GLN HA 1 74 VAL MG1 . . 4.320 3.665 3.596 3.740 . 0 0 "[ . 1 . 2]" 1
1089 1 69 LEU HA 1 74 VAL MG1 . . 4.810 4.092 3.998 4.259 . 0 0 "[ . 1 . 2]" 1
1090 1 74 VAL HA 1 74 VAL MG1 . . 3.000 2.548 2.505 2.590 . 0 0 "[ . 1 . 2]" 1
1091 1 19 TYR HB2 1 84 ALA HA . . 4.140 3.018 2.625 3.772 . 0 0 "[ . 1 . 2]" 1
1092 1 19 TYR HB3 1 84 ALA HA . . 4.520 3.956 3.502 4.529 0.009 18 0 "[ . 1 . 2]" 1
1093 1 54 VAL MG1 1 55 THR H . . 3.530 2.442 2.100 2.726 . 0 0 "[ . 1 . 2]" 1
1094 1 41 ILE H 1 54 VAL MG1 . . 4.800 4.484 4.291 4.630 . 0 0 "[ . 1 . 2]" 1
1095 1 54 VAL MG1 1 56 TYR H . . 5.090 4.469 4.205 4.727 . 0 0 "[ . 1 . 2]" 1
1096 1 34 PHE QD 1 54 VAL MG1 . . 3.680 2.234 1.983 2.502 . 0 0 "[ . 1 . 2]" 1
1097 1 34 PHE QE 1 54 VAL MG1 . . 4.660 3.636 3.262 3.897 . 0 0 "[ . 1 . 2]" 1
1098 1 54 VAL MG1 1 56 TYR QD . . 4.410 3.868 3.765 3.982 . 0 0 "[ . 1 . 2]" 1
1099 1 43 LEU HA 1 54 VAL MG1 . . 4.560 3.922 3.743 4.101 . 0 0 "[ . 1 . 2]" 1
1100 1 54 VAL HA 1 54 VAL MG1 . . 3.210 2.392 2.290 2.459 . 0 0 "[ . 1 . 2]" 1
1101 1 34 PHE HB3 1 54 VAL MG1 . . 3.660 2.367 2.145 2.654 . 0 0 "[ . 1 . 2]" 1
1102 1 34 PHE HB2 1 54 VAL MG1 . . 3.880 2.803 2.478 3.146 . 0 0 "[ . 1 . 2]" 1
1103 1 40 ILE MD 1 54 VAL MG1 . . 2.810 2.496 2.114 2.780 . 0 0 "[ . 1 . 2]" 1
1104 1 81 VAL HB 1 82 ASN HA . . 4.450 4.412 4.349 4.458 0.008 4 0 "[ . 1 . 2]" 1
1105 1 82 ASN HA 1 83 ILE HG12 . . 4.910 3.501 3.434 3.577 . 0 0 "[ . 1 . 2]" 1
1106 1 36 PRO HD2 1 37 PHE H . . 4.370 3.026 2.975 3.102 . 0 0 "[ . 1 . 2]" 1
1107 1 36 PRO HB3 1 36 PRO HD2 . . 4.350 3.956 3.955 3.956 . 0 0 "[ . 1 . 2]" 1
1108 1 35 SER H 1 36 PRO HD2 . . 3.530 2.236 2.144 2.323 . 0 0 "[ . 1 . 2]" 1
1109 1 35 SER HA 1 36 PRO HD2 . . 4.110 3.882 3.853 3.885 . 0 0 "[ . 1 . 2]" 1
1110 1 36 PRO HB2 1 36 PRO HD2 . . 4.350 3.076 3.075 3.076 . 0 0 "[ . 1 . 2]" 1
1111 1 35 SER HA 1 36 PRO HD3 . . 4.110 3.874 3.874 3.875 . 0 0 "[ . 1 . 2]" 1
1112 1 36 PRO HB3 1 36 PRO HD3 . . 4.350 3.999 3.999 4.000 . 0 0 "[ . 1 . 2]" 1
1113 1 83 ILE HA 1 84 ALA MB . . 4.350 3.962 3.916 4.030 . 0 0 "[ . 1 . 2]" 1
1114 1 19 TYR H 1 84 ALA MB . . 4.190 3.116 2.868 3.700 . 0 0 "[ . 1 . 2]" 1
1115 1 84 ALA H 1 84 ALA MB . . 3.270 2.145 2.026 2.241 . 0 0 "[ . 1 . 2]" 1
1116 1 84 ALA MB 1 85 ARG H . . 4.380 3.113 2.364 3.614 . 0 0 "[ . 1 . 2]" 1
1117 1 37 PHE QE 1 65 ALA MB . . 4.370 3.818 3.600 3.911 . 0 0 "[ . 1 . 2]" 1
1118 1 53 PHE QE 1 84 ALA MB . . 4.820 4.622 4.017 4.989 0.169 20 0 "[ . 1 . 2]" 1
1119 1 19 TYR HA 1 84 ALA MB . . 4.470 3.920 3.565 4.314 . 0 0 "[ . 1 . 2]" 1
1120 1 19 TYR HB2 1 84 ALA MB . . 3.620 2.587 2.091 2.885 . 0 0 "[ . 1 . 2]" 1
1121 1 19 TYR HB3 1 84 ALA MB . . 3.940 3.966 3.484 4.140 0.200 14 0 "[ . 1 . 2]" 1
1122 1 46 ASP HA 1 48 PRO HD2 . . 4.310 2.579 2.573 2.580 . 0 0 "[ . 1 . 2]" 1
1123 1 45 MET HB3 1 46 ASP HA . . 4.610 4.306 4.218 4.424 . 0 0 "[ . 1 . 2]" 1
1124 1 46 ASP HA 1 47 PRO HG3 . . 4.940 4.401 4.399 4.404 . 0 0 "[ . 1 . 2]" 1
1125 1 65 ALA MB 1 69 LEU H . . 4.640 3.703 3.538 3.782 . 0 0 "[ . 1 . 2]" 1
1126 1 65 ALA MB 1 66 VAL H . . 3.130 2.238 2.139 2.342 . 0 0 "[ . 1 . 2]" 1
1127 1 37 PHE QD 1 65 ALA MB . . 3.560 3.297 3.120 3.432 . 0 0 "[ . 1 . 2]" 1
1128 1 34 PHE QE 1 65 ALA MB . . 3.520 3.222 3.033 3.411 . 0 0 "[ . 1 . 2]" 1
1129 1 56 TYR QE 1 65 ALA MB . . 3.210 1.840 1.796 1.938 . 0 0 "[ . 1 . 2]" 1
1130 1 62 ALA HA 1 65 ALA MB . . 3.530 3.405 3.265 3.474 . 0 0 "[ . 1 . 2]" 1
1131 1 37 PHE HB3 1 65 ALA MB . . 4.010 3.231 2.957 3.491 . 0 0 "[ . 1 . 2]" 1
1132 1 64 GLN HB2 1 65 ALA MB . . 4.640 3.966 3.853 4.023 . 0 0 "[ . 1 . 2]" 1
1133 1 65 ALA MB 1 66 VAL HB . . 5.130 4.264 4.202 4.342 . 0 0 "[ . 1 . 2]" 1
1134 1 18 LEU MD2 1 65 ALA MB . . 3.510 3.254 2.791 3.511 0.001 20 0 "[ . 1 . 2]" 1
1135 1 65 ALA MB 1 69 LEU MD1 . . 3.340 2.280 2.098 2.431 . 0 0 "[ . 1 . 2]" 1
1136 1 54 VAL MG2 1 55 THR H . . 4.120 4.062 3.961 4.166 0.046 15 0 "[ . 1 . 2]" 1
1137 1 34 PHE QE 1 54 VAL MG2 . . 4.070 3.082 2.867 3.238 . 0 0 "[ . 1 . 2]" 1
1138 1 53 PHE HA 1 54 VAL MG2 . . 4.310 3.873 3.740 3.972 . 0 0 "[ . 1 . 2]" 1
1139 1 54 VAL HA 1 54 VAL MG2 . . 3.230 2.357 2.292 2.435 . 0 0 "[ . 1 . 2]" 1
1140 1 30 LEU HB2 1 54 VAL MG2 . . 4.510 3.453 3.308 3.571 . 0 0 "[ . 1 . 2]" 1
1141 1 43 LEU HB2 1 54 VAL MG2 . . 4.840 3.198 2.896 3.517 . 0 0 "[ . 1 . 2]" 1
1142 1 18 LEU HB2 1 54 VAL MG2 . . 4.200 4.162 4.041 4.201 0.001 8 0 "[ . 1 . 2]" 1
1143 1 30 LEU HB3 1 54 VAL MG2 . . 3.970 2.830 2.685 2.897 . 0 0 "[ . 1 . 2]" 1
1144 1 52 ALA MB 1 54 VAL MG2 . . 3.560 2.976 2.834 3.166 . 0 0 "[ . 1 . 2]" 1
1145 1 40 ILE MG 1 54 VAL MG2 . . 3.360 3.314 3.228 3.355 . 0 0 "[ . 1 . 2]" 1
1146 1 20 VAL MG2 1 54 VAL MG2 . . 2.990 2.048 1.886 2.204 . 0 0 "[ . 1 . 2]" 1
1147 1 18 LEU H 1 54 VAL MG2 . . 5.100 5.042 4.930 5.148 0.048 16 0 "[ . 1 . 2]" 1
1148 1 44 SER H 1 54 VAL MG2 . . 4.530 4.018 3.824 4.234 . 0 0 "[ . 1 . 2]" 1
1149 1 53 PHE H 1 54 VAL MG2 . . 4.850 3.841 3.574 4.068 . 0 0 "[ . 1 . 2]" 1
1150 1 34 PHE QD 1 54 VAL MG2 . . 3.990 3.125 2.968 3.275 . 0 0 "[ . 1 . 2]" 1
1151 1 43 LEU HA 1 54 VAL MG2 . . 4.250 3.253 3.051 3.484 . 0 0 "[ . 1 . 2]" 1
1152 1 33 ALA MB 1 34 PHE H . . 3.320 2.754 2.689 2.847 . 0 0 "[ . 1 . 2]" 1
1153 1 32 GLY H 1 33 ALA MB . . 4.330 3.925 3.874 4.059 . 0 0 "[ . 1 . 2]" 1
1154 1 33 ALA MB 1 34 PHE QD . . 3.180 2.335 2.194 2.488 . 0 0 "[ . 1 . 2]" 1
1155 1 33 ALA H 1 33 ALA MB . . 2.780 2.284 2.230 2.322 . 0 0 "[ . 1 . 2]" 1
1156 1 30 LEU HA 1 33 ALA MB . . 3.340 2.275 2.196 2.449 . 0 0 "[ . 1 . 2]" 1
1157 1 29 LEU HA 1 33 ALA MB . . 4.530 4.373 4.248 4.517 . 0 0 "[ . 1 . 2]" 1
1158 1 33 ALA MB 1 34 PHE HB3 . . 5.430 5.151 5.099 5.218 . 0 0 "[ . 1 . 2]" 1
1159 1 33 ALA MB 1 34 PHE HB2 . . 4.470 4.226 4.188 4.286 . 0 0 "[ . 1 . 2]" 1
1160 1 33 ALA MB 1 69 LEU MD2 . . 3.520 3.312 3.185 3.462 . 0 0 "[ . 1 . 2]" 1
1161 1 33 ALA MB 1 69 LEU MD1 . . 3.240 3.292 3.028 3.395 0.155 13 0 "[ . 1 . 2]" 1
1162 1 33 ALA MB 1 34 PHE QE . . 3.810 3.223 3.058 3.384 . 0 0 "[ . 1 . 2]" 1
1163 1 33 ALA MB 1 74 VAL HB . . 4.100 3.464 3.204 3.660 . 0 0 "[ . 1 . 2]" 1
1164 1 33 ALA MB 1 74 VAL MG1 . . 3.150 3.054 2.880 3.188 0.038 14 0 "[ . 1 . 2]" 1
1165 1 26 THR HA 1 27 PRO HD2 . . 3.250 2.697 2.656 2.745 . 0 0 "[ . 1 . 2]" 1
1166 1 26 THR HB 1 27 PRO HD2 . . 3.190 2.057 1.987 2.245 . 0 0 "[ . 1 . 2]" 1
1167 1 27 PRO HB3 1 27 PRO HD2 . . 4.320 3.956 3.956 3.956 . 0 0 "[ . 1 . 2]" 1
1168 1 26 THR MG 1 27 PRO HD2 . . 3.860 2.941 2.608 3.305 . 0 0 "[ . 1 . 2]" 1
1169 1 26 THR HA 1 27 PRO HD3 . . 3.010 2.077 2.058 2.102 . 0 0 "[ . 1 . 2]" 1
1170 1 26 THR HB 1 27 PRO HD3 . . 3.420 3.212 3.120 3.387 . 0 0 "[ . 1 . 2]" 1
1171 1 11 ALA HA 1 12 PRO HD2 . . 2.850 2.354 2.228 2.584 . 0 0 "[ . 1 . 2]" 1
1172 1 11 ALA HA 1 12 PRO HD3 . . 2.850 2.289 2.256 2.388 . 0 0 "[ . 1 . 2]" 1
1173 1 87 GLN HA 1 88 PRO HD2 . . 3.520 2.025 1.949 2.368 . 0 0 "[ . 1 . 2]" 1
1174 1 67 ALA MB 1 69 LEU H . . 5.010 4.749 4.680 4.865 . 0 0 "[ . 1 . 2]" 1
1175 1 67 ALA MB 1 68 GLU H . . 3.050 2.635 2.548 2.757 . 0 0 "[ . 1 . 2]" 1
1176 1 67 ALA H 1 67 ALA MB . . 2.700 2.302 2.283 2.318 . 0 0 "[ . 1 . 2]" 1
1177 1 67 ALA MB 1 68 GLU HG3 . . 4.310 3.770 3.074 4.300 . 0 0 "[ . 1 . 2]" 1
1178 1 67 ALA MB 1 68 GLU HG2 . . 3.730 2.966 2.669 3.379 . 0 0 "[ . 1 . 2]" 1
1179 1 10 ARG HA 1 11 ALA MB . . 4.330 4.009 3.790 4.307 . 0 0 "[ . 1 . 2]" 1
1180 1 11 ALA MB 1 12 PRO HD2 . . 3.530 2.188 1.952 2.453 . 0 0 "[ . 1 . 2]" 1
1181 1 11 ALA MB 1 12 PRO HD3 . . 3.530 3.325 3.029 3.489 . 0 0 "[ . 1 . 2]" 1
1182 1 11 ALA MB 1 12 PRO HA . . 4.560 4.431 4.335 4.491 . 0 0 "[ . 1 . 2]" 1
1183 1 56 TYR H 1 62 ALA MB . . 4.560 4.260 4.041 4.506 . 0 0 "[ . 1 . 2]" 1
1184 1 62 ALA H 1 62 ALA MB . . 2.800 2.206 2.066 2.263 . 0 0 "[ . 1 . 2]" 1
1185 1 56 TYR QE 1 62 ALA MB . . 4.900 4.794 4.645 4.899 . 0 0 "[ . 1 . 2]" 1
1186 1 62 ALA MB 1 63 ASP HA . . 4.300 3.747 3.627 3.798 . 0 0 "[ . 1 . 2]" 1
1187 1 60 GLU HA 1 62 ALA MB . . 5.320 4.652 4.424 4.826 . 0 0 "[ . 1 . 2]" 1
1188 1 62 ALA MB 1 83 ILE HA . . 5.500 4.528 4.328 4.770 . 0 0 "[ . 1 . 2]" 1
1189 1 56 TYR HB2 1 62 ALA MB . . 3.830 3.509 3.333 3.627 . 0 0 "[ . 1 . 2]" 1
1190 1 59 MET HB2 1 62 ALA MB . . 4.900 3.533 3.151 3.773 . 0 0 "[ . 1 . 2]" 1
1191 1 59 MET HB3 1 62 ALA MB . . 4.900 4.349 3.947 4.602 . 0 0 "[ . 1 . 2]" 1
1192 1 18 LEU MD1 1 62 ALA MB . . 3.360 3.410 3.240 3.575 0.215 13 0 "[ . 1 . 2]" 1
1193 1 18 LEU MD2 1 62 ALA MB . . 3.070 1.898 1.835 2.014 . 0 0 "[ . 1 . 2]" 1
1194 1 62 ALA MB 1 83 ILE MG . . 3.560 3.487 3.369 3.687 0.127 14 0 "[ . 1 . 2]" 1
1195 1 39 ASN HD22 1 41 ILE MG . . 4.200 2.612 2.081 3.094 . 0 0 "[ . 1 . 2]" 1
1196 1 41 ILE H 1 41 ILE MG . . 3.480 2.936 2.852 3.041 . 0 0 "[ . 1 . 2]" 1
1197 1 41 ILE MG 1 57 GLU H . . 3.760 3.640 3.511 3.768 0.008 20 0 "[ . 1 . 2]" 1
1198 1 41 ILE MG 1 42 ASP H . . 4.330 4.192 4.092 4.279 . 0 0 "[ . 1 . 2]" 1
1199 1 39 ASN HD21 1 41 ILE MG . . 4.200 2.550 2.301 2.988 . 0 0 "[ . 1 . 2]" 1
1200 1 41 ILE MG 1 56 TYR HA . . 4.670 4.557 4.420 4.672 0.002 20 0 "[ . 1 . 2]" 1
1201 1 41 ILE HA 1 41 ILE MG . . 2.910 2.158 2.078 2.294 . 0 0 "[ . 1 . 2]" 1
1202 1 41 ILE MG 1 57 GLU HA . . 3.570 3.075 2.711 3.356 . 0 0 "[ . 1 . 2]" 1
1203 1 41 ILE MG 1 55 THR HB . . 5.190 5.054 4.899 5.184 . 0 0 "[ . 1 . 2]" 1
1204 1 41 ILE MG 1 42 ASP HB2 . . 5.270 5.094 5.071 5.119 . 0 0 "[ . 1 . 2]" 1
1205 1 41 ILE MG 1 57 GLU HG2 . . 4.860 4.521 3.948 4.968 0.108 20 0 "[ . 1 . 2]" 1
1206 1 41 ILE MG 1 57 GLU HG3 . . 4.860 3.891 3.571 4.304 . 0 0 "[ . 1 . 2]" 1
1207 1 41 ILE MG 1 57 GLU HB2 . . 3.450 2.579 2.310 2.752 . 0 0 "[ . 1 . 2]" 1
1208 1 46 ASP HA 1 47 PRO HD2 . . 3.340 2.163 2.162 2.163 . 0 0 "[ . 1 . 2]" 1
1209 1 46 ASP HA 1 47 PRO HD3 . . 3.300 2.311 2.309 2.315 . 0 0 "[ . 1 . 2]" 1
1210 1 83 ILE MD 1 84 ALA H . . 4.070 4.040 3.984 4.073 0.003 17 0 "[ . 1 . 2]" 1
1211 1 83 ILE HB 1 83 ILE MD . . 3.250 3.217 3.202 3.229 . 0 0 "[ . 1 . 2]" 1
1212 1 40 ILE MG 1 55 THR H . . 3.750 2.943 2.729 3.126 . 0 0 "[ . 1 . 2]" 1
1213 1 40 ILE MG 1 41 ILE H . . 3.400 2.792 2.660 2.958 . 0 0 "[ . 1 . 2]" 1
1214 1 40 ILE MG 1 43 LEU H . . 4.440 3.463 3.373 3.583 . 0 0 "[ . 1 . 2]" 1
1215 1 40 ILE MG 1 42 ASP H . . 3.020 2.400 2.197 2.679 . 0 0 "[ . 1 . 2]" 1
1216 1 40 ILE MG 1 56 TYR QE . . 5.180 4.781 4.569 5.051 . 0 0 "[ . 1 . 2]" 1
1217 1 40 ILE MG 1 56 TYR HA . . 4.870 4.642 4.504 4.773 . 0 0 "[ . 1 . 2]" 1
1218 1 40 ILE HA 1 40 ILE MG . . 3.160 2.299 2.256 2.375 . 0 0 "[ . 1 . 2]" 1
1219 1 40 ILE MG 1 55 THR HB . . 4.250 4.096 3.942 4.227 . 0 0 "[ . 1 . 2]" 1
1220 1 40 ILE MG 1 43 LEU HB2 . . 3.320 1.923 1.846 2.014 . 0 0 "[ . 1 . 2]" 1
1221 1 40 ILE MG 1 43 LEU HB3 . . 3.320 2.496 2.346 2.587 . 0 0 "[ . 1 . 2]" 1
1222 1 40 ILE MG 1 54 VAL MG1 . . 3.010 2.079 1.938 2.290 . 0 0 "[ . 1 . 2]" 1
1223 1 40 ILE MG 1 43 LEU HA . . 4.300 3.433 3.335 3.547 . 0 0 "[ . 1 . 2]" 1
1224 1 40 ILE MG 1 42 ASP HA . . 4.290 3.928 3.828 4.065 . 0 0 "[ . 1 . 2]" 1
1225 1 40 ILE MG 1 41 ILE HA . . 4.350 4.013 3.872 4.172 . 0 0 "[ . 1 . 2]" 1
1226 1 40 ILE MG 1 54 VAL HA . . 4.080 3.289 3.049 3.524 . 0 0 "[ . 1 . 2]" 1
1227 1 59 MET HA 1 59 MET ME . . 4.640 4.330 4.049 4.581 . 0 0 "[ . 1 . 2]" 1
1228 1 25 MET H 1 45 MET ME . . 4.320 4.107 3.945 4.319 . 0 0 "[ . 1 . 2]" 1
1229 1 26 THR HA 1 45 MET ME . . 3.170 2.231 1.998 2.383 . 0 0 "[ . 1 . 2]" 1
1230 1 27 PRO HA 1 45 MET ME . . 3.810 2.594 2.167 3.283 . 0 0 "[ . 1 . 2]" 1
1231 1 27 PRO HD2 1 45 MET ME . . 3.820 3.471 3.303 3.593 . 0 0 "[ . 1 . 2]" 1
1232 1 27 PRO HD3 1 45 MET ME . . 3.350 2.190 1.975 2.472 . 0 0 "[ . 1 . 2]" 1
1233 1 25 MET HB2 1 45 MET ME . . 3.390 2.711 2.474 2.977 . 0 0 "[ . 1 . 2]" 1
1234 1 45 MET ME 1 52 ALA MB . . 3.350 3.187 2.924 3.384 0.034 15 0 "[ . 1 . 2]" 1
1235 1 30 LEU MD1 1 45 MET ME . . 3.770 2.132 1.899 2.658 . 0 0 "[ . 1 . 2]" 1
1236 1 43 LEU MD1 1 45 MET ME . . 4.600 4.144 3.852 4.545 . 0 0 "[ . 1 . 2]" 1
1237 1 43 LEU MD2 1 45 MET ME . . 5.080 4.753 4.342 5.429 0.349 15 0 "[ . 1 . 2]" 1
1238 1 30 LEU MD2 1 45 MET ME . . 2.890 2.593 2.364 3.074 0.184 15 0 "[ . 1 . 2]" 1
1239 1 46 ASP H 1 52 ALA HA . . 4.310 3.202 2.913 3.466 . 0 0 "[ . 1 . 2]" 1
1240 1 39 ASN HA 1 40 ILE H . . 3.280 2.171 2.140 2.222 . 0 0 "[ . 1 . 2]" 1
1241 1 20 VAL HA 1 20 VAL MG1 . . 3.680 2.249 2.142 2.379 . 0 0 "[ . 1 . 2]" 1
1242 1 20 VAL HA 1 81 VAL MG2 . . 4.450 2.891 2.627 3.121 . 0 0 "[ . 1 . 2]" 1
1243 1 20 VAL HA 1 21 TYR HB2 . . 5.500 4.613 4.504 4.857 . 0 0 "[ . 1 . 2]" 1
1244 1 20 VAL HA 1 21 TYR HB3 . . 5.500 4.323 4.179 4.391 . 0 0 "[ . 1 . 2]" 1
1245 1 20 VAL HA 1 21 TYR H . . 3.410 2.240 2.190 2.285 . 0 0 "[ . 1 . 2]" 1
1246 1 16 ASN HA 1 59 MET HA . . 4.220 3.012 2.492 3.325 . 0 0 "[ . 1 . 2]" 1
1247 1 38 GLY HA2 1 61 SER HB3 . . 5.190 5.328 4.876 5.651 0.461 19 0 "[ . 1 . 2]" 1
1248 1 38 GLY HA2 1 61 SER HG . . 5.220 4.255 3.476 4.920 . 0 0 "[ . 1 . 2]" 1
1249 1 56 TYR HB3 1 62 ALA MB . . 4.860 4.786 4.663 4.857 . 0 0 "[ . 1 . 2]" 1
1250 1 56 TYR HB3 1 59 MET HA . . 5.500 5.101 4.636 5.324 . 0 0 "[ . 1 . 2]" 1
1251 1 56 TYR HB3 1 62 ALA HA . . 5.500 5.226 5.114 5.315 . 0 0 "[ . 1 . 2]" 1
1252 1 34 PHE QE 1 45 MET ME . . 5.500 5.743 5.354 6.338 0.838 15 2 "[ -. 1 + 2]" 1
1253 1 34 PHE QE 1 79 LEU HG . . 5.500 5.276 4.967 5.502 0.002 14 0 "[ . 1 . 2]" 1
1254 1 45 MET HG2 1 46 ASP H . . 4.930 4.348 4.231 4.546 . 0 0 "[ . 1 . 2]" 1
1255 1 25 MET HG3 1 26 THR H . . 5.260 5.011 4.679 5.116 . 0 0 "[ . 1 . 2]" 1
1256 1 68 GLU HB2 1 69 LEU MD1 . . 5.440 5.116 5.047 5.180 . 0 0 "[ . 1 . 2]" 1
1257 1 19 TYR QD 1 53 PHE QE . . 3.680 2.220 1.998 2.670 . 0 0 "[ . 1 . 2]" 1
1258 1 37 PHE HB3 1 64 GLN HB2 . . 4.820 3.883 3.668 4.051 . 0 0 "[ . 1 . 2]" 1
1259 1 26 THR HA 1 27 PRO HG3 . . 4.790 4.245 4.230 4.264 . 0 0 "[ . 1 . 2]" 1
1260 1 80 LYS HG2 1 81 VAL H . . 5.500 4.476 3.431 5.456 . 0 0 "[ . 1 . 2]" 1
1261 1 73 GLN HA 1 78 GLN HA . . 3.310 2.201 1.998 2.449 . 0 0 "[ . 1 . 2]" 1
1262 1 17 THR MG 1 56 TYR H . . 5.500 5.218 4.938 5.487 . 0 0 "[ . 1 . 2]" 1
1263 1 41 ILE MG 1 57 GLU HB3 . . 4.260 4.062 3.807 4.218 . 0 0 "[ . 1 . 2]" 1
1264 1 60 GLU HA 1 64 GLN HG3 . . 4.550 4.246 4.005 4.473 . 0 0 "[ . 1 . 2]" 1
1265 1 60 GLU HA 1 60 GLU HG2 . . 3.950 3.544 2.516 3.838 . 0 0 "[ . 1 . 2]" 1
1266 1 37 PHE HB2 1 61 SER HA . . 5.500 5.277 5.092 5.439 . 0 0 "[ . 1 . 2]" 1
1267 1 18 LEU MD1 1 62 ALA HA . . 3.590 2.108 1.968 2.352 . 0 0 "[ . 1 . 2]" 1
1268 1 60 GLU H 1 62 ALA MB . . 5.130 4.746 4.610 4.831 . 0 0 "[ . 1 . 2]" 1
1269 1 18 LEU HG 1 62 ALA MB . . 3.890 3.631 3.217 3.792 . 0 0 "[ . 1 . 2]" 1
1270 1 63 ASP HA 1 83 ILE HG13 . . 5.160 4.199 3.524 4.620 . 0 0 "[ . 1 . 2]" 1
1271 1 64 GLN HA 1 65 ALA HA . . 5.430 4.829 4.811 4.843 . 0 0 "[ . 1 . 2]" 1
1272 1 65 ALA HA 1 68 GLU HB2 . . 4.540 3.074 2.833 3.207 . 0 0 "[ . 1 . 2]" 1
1273 1 65 ALA HA 1 68 GLU HG3 . . 5.500 4.298 3.624 4.810 . 0 0 "[ . 1 . 2]" 1
1274 1 66 VAL HA 1 69 LEU QB . . 4.930 3.440 3.275 3.656 . 0 0 "[ . 1 . 2]" 1
1275 1 66 VAL HA 1 70 ASN HB3 . . 4.870 4.097 3.872 4.373 . 0 0 "[ . 1 . 2]" 1
1276 1 66 VAL HB 1 83 ILE MG . . 5.200 5.103 5.003 5.179 . 0 0 "[ . 1 . 2]" 1
1277 1 65 ALA HA 1 67 ALA MB . . 4.820 4.692 4.633 4.757 . 0 0 "[ . 1 . 2]" 1
1278 1 64 GLN HG2 1 67 ALA MB . . 4.910 4.334 4.183 4.526 . 0 0 "[ . 1 . 2]" 1
1279 1 37 PHE QD 1 68 GLU HB2 . . 5.100 4.259 4.230 4.329 . 0 0 "[ . 1 . 2]" 1
1280 1 67 ALA H 1 68 GLU HB2 . . 5.500 4.625 4.523 4.721 . 0 0 "[ . 1 . 2]" 1
1281 1 37 PHE QE 1 68 GLU HB3 . . 4.330 3.254 3.171 3.287 . 0 0 "[ . 1 . 2]" 1
1282 1 68 GLU HB3 1 69 LEU MD2 . . 4.710 3.925 3.784 4.043 . 0 0 "[ . 1 . 2]" 1
1283 1 37 PHE QD 1 68 GLU HG3 . . 5.260 4.174 4.019 4.438 . 0 0 "[ . 1 . 2]" 1
1284 1 67 ALA H 1 68 GLU HG3 . . 5.500 5.079 4.247 5.793 0.293 9 0 "[ . 1 . 2]" 1
1285 1 69 LEU HA 1 72 THR HB . . 4.120 2.312 2.150 2.517 . 0 0 "[ . 1 . 2]" 1
1286 1 34 PHE HA 1 69 LEU MD2 . . 4.420 3.752 3.567 3.995 . 0 0 "[ . 1 . 2]" 1
1287 1 69 LEU MD2 1 72 THR MG . . 3.410 1.911 1.875 2.005 . 0 0 "[ . 1 . 2]" 1
1288 1 72 THR MG 1 74 VAL MG1 . . 4.060 1.875 1.827 1.935 . 0 0 "[ . 1 . 2]" 1
1289 1 83 ILE HA 1 83 ILE MD . . 3.220 2.124 2.046 2.299 . 0 0 "[ . 1 . 2]" 1
1290 1 69 LEU MD2 1 74 VAL MG1 . . 2.880 2.723 2.596 2.880 . 0 0 "[ . 1 . 2]" 1
1291 1 69 LEU MD1 1 74 VAL MG1 . . 4.050 4.271 4.142 4.295 0.245 8 0 "[ . 1 . 2]" 1
1292 1 76 SER HB2 1 77 VAL MG2 . . 4.760 3.918 3.238 4.670 . 0 0 "[ . 1 . 2]" 1
1293 1 77 VAL HB 1 78 GLN H . . 4.770 4.316 4.195 4.390 . 0 0 "[ . 1 . 2]" 1
1294 1 25 MET HG2 1 77 VAL MG1 . . 4.010 2.879 2.059 3.139 . 0 0 "[ . 1 . 2]" 1
1295 1 77 VAL MG1 1 79 LEU HG . . 3.840 2.954 2.514 3.712 . 0 0 "[ . 1 . 2]" 1
1296 1 25 MET ME 1 77 VAL MG1 . . 4.740 4.389 4.214 4.465 . 0 0 "[ . 1 . 2]" 1
1297 1 25 MET HB2 1 77 VAL MG1 . . 4.620 3.619 3.516 3.894 . 0 0 "[ . 1 . 2]" 1
1298 1 71 GLY H 1 80 LYS HA . . 4.260 2.239 1.968 2.461 . 0 0 "[ . 1 . 2]" 1
1299 1 58 LYS HB3 1 59 MET H . . 4.810 2.801 2.298 3.681 . 0 0 "[ . 1 . 2]" 1
1300 1 80 LYS H 1 80 LYS HB2 . . 3.920 2.589 2.424 2.856 . 0 0 "[ . 1 . 2]" 1
1301 1 21 TYR HB3 1 80 LYS HB2 . . 3.830 2.593 2.011 3.756 . 0 0 "[ . 1 . 2]" 1
1302 1 21 TYR HB3 1 80 LYS HG3 . . 5.240 4.883 4.355 5.215 . 0 0 "[ . 1 . 2]" 1
1303 1 80 LYS HA 1 80 LYS HD2 . . 5.290 4.309 3.215 4.773 . 0 0 "[ . 1 . 2]" 1
1304 1 80 LYS HA 1 80 LYS HD3 . . 5.290 4.386 3.862 4.743 . 0 0 "[ . 1 . 2]" 1
1305 1 66 VAL H 1 81 VAL MG1 . . 4.450 3.561 3.191 3.920 . 0 0 "[ . 1 . 2]" 1
1306 1 81 VAL MG1 1 82 ASN HA . . 4.310 3.577 3.403 3.858 . 0 0 "[ . 1 . 2]" 1
1307 1 20 VAL HA 1 81 VAL MG1 . . 4.520 3.222 2.866 3.494 . 0 0 "[ . 1 . 2]" 1
1308 1 70 ASN HA 1 81 VAL MG1 . . 5.190 4.897 4.684 5.072 . 0 0 "[ . 1 . 2]" 1
1309 1 66 VAL HB 1 81 VAL MG1 . . 4.510 4.250 4.036 4.497 . 0 0 "[ . 1 . 2]" 1
1310 1 69 LEU QB 1 81 VAL MG1 . . 4.260 3.276 3.111 3.479 . 0 0 "[ . 1 . 2]" 1
1311 1 54 VAL MG2 1 81 VAL MG1 . . 4.940 4.385 4.189 4.573 . 0 0 "[ . 1 . 2]" 1
1312 1 69 LEU MD1 1 81 VAL MG1 . . 5.100 3.324 3.215 3.519 . 0 0 "[ . 1 . 2]" 1
1313 1 20 VAL HB 1 52 ALA MB . . 3.130 2.380 2.067 2.727 . 0 0 "[ . 1 . 2]" 1
1314 1 82 ASN HA 1 83 ILE HG13 . . 5.500 5.231 5.160 5.307 . 0 0 "[ . 1 . 2]" 1
1315 1 18 LEU MD2 1 82 ASN HA . . 5.390 5.152 4.798 5.371 . 0 0 "[ . 1 . 2]" 1
1316 1 82 ASN HA 1 83 ILE MD . . 5.500 4.204 3.913 4.550 . 0 0 "[ . 1 . 2]" 1
1317 1 19 TYR H 1 83 ILE HA . . 4.670 3.726 3.495 3.855 . 0 0 "[ . 1 . 2]" 1
1318 1 66 VAL MG2 1 83 ILE HB . . 4.540 4.324 4.017 4.526 . 0 0 "[ . 1 . 2]" 1
1319 1 62 ALA MB 1 83 ILE MD . . 3.750 2.748 2.227 3.067 . 0 0 "[ . 1 . 2]" 1
1320 1 53 PHE QD 1 84 ALA MB . . 4.350 3.904 3.641 4.332 . 0 0 "[ . 1 . 2]" 1
1321 1 19 TYR QD 1 84 ALA MB . . 4.520 3.351 2.967 3.597 . 0 0 "[ . 1 . 2]" 1
1322 1 19 TYR QE 1 84 ALA MB . . 5.450 5.231 4.683 5.451 0.001 4 0 "[ . 1 . 2]" 1
1323 1 86 LYS HA 1 86 LYS HD2 . . 5.440 3.983 2.025 4.920 . 0 0 "[ . 1 . 2]" 1
1324 1 86 LYS HA 1 86 LYS HD3 . . 5.440 4.241 2.383 5.503 0.063 19 0 "[ . 1 . 2]" 1
1325 1 87 GLN HA 1 88 PRO HD3 . . 3.520 2.817 2.674 3.258 . 0 0 "[ . 1 . 2]" 1
1326 1 90 LEU HA 1 90 LEU HG . . 3.630 2.831 2.290 3.699 0.069 14 0 "[ . 1 . 2]" 1
1327 1 26 THR H 1 29 LEU HG . . 4.990 4.639 4.383 4.874 . 0 0 "[ . 1 . 2]" 1
1328 1 44 SER HB2 1 53 PHE QD . . 5.000 3.284 2.388 4.027 . 0 0 "[ . 1 . 2]" 1
1329 1 44 SER HB3 1 53 PHE QD . . 5.000 2.991 2.001 4.661 . 0 0 "[ . 1 . 2]" 1
1330 1 43 LEU HA 1 55 THR H . . 4.600 3.571 3.439 3.718 . 0 0 "[ . 1 . 2]" 1
1331 1 43 LEU HB3 1 54 VAL MG2 . . 4.840 4.557 4.320 4.826 . 0 0 "[ . 1 . 2]" 1
1332 1 30 LEU HB3 1 43 LEU MD1 . . 3.770 3.167 3.045 3.364 . 0 0 "[ . 1 . 2]" 1
1333 1 43 LEU H 1 43 LEU MD2 . . 4.820 4.549 4.499 4.608 . 0 0 "[ . 1 . 2]" 1
1334 1 30 LEU HB2 1 43 LEU MD2 . . 3.300 2.076 1.981 2.196 . 0 0 "[ . 1 . 2]" 1
1335 1 31 ARG HG2 1 43 LEU MD2 . . 3.940 2.116 1.891 2.471 . 0 0 "[ . 1 . 2]" 1
1336 1 43 LEU HB2 1 43 LEU MD2 . . 3.650 2.217 2.161 2.322 . 0 0 "[ . 1 . 2]" 1
1337 1 43 LEU HB3 1 43 LEU MD2 . . 3.650 2.428 2.359 2.485 . 0 0 "[ . 1 . 2]" 1
1338 1 30 LEU HB3 1 43 LEU MD2 . . 3.500 3.360 3.166 3.489 . 0 0 "[ . 1 . 2]" 1
1339 1 43 LEU MD2 1 54 VAL MG1 . . 3.570 3.514 3.315 3.699 0.129 4 0 "[ . 1 . 2]" 1
1340 1 41 ILE H 1 42 ASP HB3 . . 5.080 4.969 4.873 5.032 . 0 0 "[ . 1 . 2]" 1
1341 1 40 ILE HA 1 41 ILE HA . . 4.900 4.406 4.397 4.421 . 0 0 "[ . 1 . 2]" 1
1342 1 41 ILE HG13 1 56 TYR HA . . 5.160 4.644 4.120 4.930 . 0 0 "[ . 1 . 2]" 1
1343 1 41 ILE HG13 1 41 ILE MG . . 3.280 3.193 3.179 3.203 . 0 0 "[ . 1 . 2]" 1
1344 1 40 ILE HA 1 56 TYR QE . . 5.080 4.311 4.120 4.561 . 0 0 "[ . 1 . 2]" 1
1345 1 40 ILE HA 1 40 ILE HG12 . . 3.710 2.676 2.580 2.727 . 0 0 "[ . 1 . 2]" 1
1346 1 39 ASN HA 1 40 ILE HB . . 4.940 4.675 4.584 4.745 . 0 0 "[ . 1 . 2]" 1
1347 1 38 GLY HA2 1 56 TYR QE . . 4.990 4.976 4.679 5.280 0.290 5 0 "[ . 1 . 2]" 1
1348 1 38 GLY HA3 1 61 SER HG . . 5.220 3.100 2.230 3.872 . 0 0 "[ . 1 . 2]" 1
1349 1 38 GLY HA3 1 61 SER HB3 . . 5.190 3.811 3.356 4.129 . 0 0 "[ . 1 . 2]" 1
1350 1 37 PHE HA 1 65 ALA MB . . 5.440 5.201 4.933 5.406 . 0 0 "[ . 1 . 2]" 1
1351 1 36 PRO HG3 1 37 PHE H . . 5.250 4.674 4.493 4.769 . 0 0 "[ . 1 . 2]" 1
1352 1 36 PRO HA 1 36 PRO HG2 . . 4.060 3.912 3.911 3.912 . 0 0 "[ . 1 . 2]" 1
1353 1 34 PHE HA 1 56 TYR HH . . 4.610 2.272 2.122 2.514 . 0 0 "[ . 1 . 2]" 1
1354 1 34 PHE HA 1 37 PHE QD . . 4.340 2.283 2.112 2.400 . 0 0 "[ . 1 . 2]" 1
1355 1 34 PHE HA 1 69 LEU MD1 . . 4.670 2.762 2.530 3.070 . 0 0 "[ . 1 . 2]" 1
1356 1 34 PHE QD 1 37 PHE QD . . 4.860 4.534 4.359 4.582 . 0 0 "[ . 1 . 2]" 1
1357 1 34 PHE QE 1 79 LEU MD2 . . 4.170 4.173 3.902 4.374 0.204 20 0 "[ . 1 . 2]" 1
1358 1 31 ARG HA 1 35 SER HA . . 5.500 5.423 5.174 5.525 0.025 20 0 "[ . 1 . 2]" 1
1359 1 30 LEU HA 1 30 LEU MD2 . . 4.220 2.068 1.988 2.248 . 0 0 "[ . 1 . 2]" 1
1360 1 30 LEU HA 1 54 VAL MG2 . . 5.430 4.644 4.555 4.760 . 0 0 "[ . 1 . 2]" 1
1361 1 30 LEU HA 1 69 LEU MD1 . . 5.500 4.952 4.779 5.150 . 0 0 "[ . 1 . 2]" 1
1362 1 30 LEU MD1 1 34 PHE QE . . 3.470 3.366 3.197 3.470 . 6 0 "[ . 1 . 2]" 1
1363 1 30 LEU HB3 1 30 LEU MD1 . . 3.330 2.196 2.149 2.251 . 0 0 "[ . 1 . 2]" 1
1364 1 28 THR MG 1 29 LEU HA . . 4.320 3.566 3.455 3.693 . 0 0 "[ . 1 . 2]" 1
1365 1 26 THR MG 1 29 LEU HB3 . . 5.130 4.983 4.669 5.282 0.152 18 0 "[ . 1 . 2]" 1
1366 1 25 MET HA 1 29 LEU MD1 . . 3.280 2.484 2.146 2.901 . 0 0 "[ . 1 . 2]" 1
1367 1 25 MET HB2 1 29 LEU MD1 . . 3.920 3.538 3.367 3.870 . 0 0 "[ . 1 . 2]" 1
1368 1 29 LEU MD2 1 30 LEU H . . 4.750 3.206 2.977 3.357 . 0 0 "[ . 1 . 2]" 1
1369 1 27 PRO HA 1 31 ARG H . . 4.610 4.472 4.304 4.597 . 0 0 "[ . 1 . 2]" 1
1370 1 27 PRO HA 1 30 LEU HG . . 4.580 2.758 2.592 2.921 . 0 0 "[ . 1 . 2]" 1
1371 1 27 PRO HB3 1 27 PRO HD3 . . 4.230 3.999 3.999 4.000 . 0 0 "[ . 1 . 2]" 1
1372 1 27 PRO HB2 1 27 PRO HD2 . . 4.000 3.076 3.075 3.076 . 0 0 "[ . 1 . 2]" 1
1373 1 27 PRO HB2 1 43 LEU MD2 . . 4.320 4.296 3.862 4.503 0.183 11 0 "[ . 1 . 2]" 1
1374 1 27 PRO HG2 1 45 MET ME . . 4.760 4.174 4.040 4.340 . 0 0 "[ . 1 . 2]" 1
1375 1 27 PRO HG3 1 45 MET ME . . 4.760 3.088 2.904 3.312 . 0 0 "[ . 1 . 2]" 1
1376 1 26 THR HB 1 27 PRO HG2 . . 5.160 4.252 4.192 4.408 . 0 0 "[ . 1 . 2]" 1
1377 1 26 THR HB 1 27 PRO HG3 . . 5.160 4.845 4.788 4.982 . 0 0 "[ . 1 . 2]" 1
1378 1 45 MET HB2 1 52 ALA MB . . 4.970 4.118 3.872 4.414 . 0 0 "[ . 1 . 2]" 1
1379 1 45 MET HB3 1 52 ALA MB . . 5.280 3.896 3.668 4.162 . 0 0 "[ . 1 . 2]" 1
1380 1 22 GLY HA3 1 25 MET HG2 . . 4.710 2.028 1.986 2.216 . 0 0 "[ . 1 . 2]" 1
1381 1 25 MET HB2 1 25 MET ME . . 3.730 3.098 2.963 3.166 . 0 0 "[ . 1 . 2]" 1
1382 1 23 GLU HA 1 24 ASP HA . . 4.720 4.548 4.530 4.557 . 0 0 "[ . 1 . 2]" 1
1383 1 23 GLU HA 1 50 ASN HB3 . . 5.190 3.026 2.270 3.541 . 0 0 "[ . 1 . 2]" 1
1384 1 23 GLU H 1 23 GLU HG3 . . 3.990 3.256 2.563 3.930 . 0 0 "[ . 1 . 2]" 1
1385 1 21 TYR QD 1 80 LYS HG3 . . 5.160 4.333 3.397 4.947 . 0 0 "[ . 1 . 2]" 1
1386 1 21 TYR HA 1 21 TYR QE . . 5.040 4.775 4.520 5.036 . 0 0 "[ . 1 . 2]" 1
1387 1 21 TYR QE 1 80 LYS HD2 . . 5.500 4.314 3.127 5.488 . 0 0 "[ . 1 . 2]" 1
1388 1 21 TYR QE 1 80 LYS HD3 . . 5.500 4.322 3.278 5.502 0.002 7 0 "[ . 1 . 2]" 1
1389 1 20 VAL MG1 1 52 ALA H . . 4.370 4.073 3.819 4.361 . 0 0 "[ . 1 . 2]" 1
1390 1 19 TYR HA 1 53 PHE QD . . 4.810 2.721 2.278 3.327 . 0 0 "[ . 1 . 2]" 1
1391 1 19 TYR HA 1 19 TYR QD . . 4.300 3.044 2.853 3.133 . 0 0 "[ . 1 . 2]" 1
1392 1 19 TYR HA 1 53 PHE HA . . 4.490 3.093 2.747 3.338 . 0 0 "[ . 1 . 2]" 1
1393 1 18 LEU HA 1 81 VAL MG1 . . 5.070 3.671 3.472 3.900 . 0 0 "[ . 1 . 2]" 1
1394 1 18 LEU MD1 1 66 VAL H . . 4.520 3.342 3.012 3.787 . 0 0 "[ . 1 . 2]" 1
1395 1 18 LEU MD1 1 65 ALA MB . . 3.090 2.100 1.992 2.219 . 0 0 "[ . 1 . 2]" 1
1396 1 18 LEU HB3 1 18 LEU MD2 . . 3.380 2.288 2.186 2.369 . 0 0 "[ . 1 . 2]" 1
1397 1 16 ASN HA 1 62 ALA MB . . 4.180 2.794 2.417 3.027 . 0 0 "[ . 1 . 2]" 1
1398 1 45 MET HA 1 53 PHE H . . 5.050 3.778 3.527 3.947 . 0 0 "[ . 1 . 2]" 1
1399 1 45 MET HA 1 52 ALA MB . . 3.730 2.387 1.978 2.811 . 0 0 "[ . 1 . 2]" 1
1400 1 16 ASN H 1 17 THR HB . . 4.990 4.548 4.316 4.736 . 0 0 "[ . 1 . 2]" 1
1401 1 42 ASP HB3 1 55 THR HB . . 3.370 2.175 2.005 2.396 . 0 0 "[ . 1 . 2]" 1
1402 1 41 ILE HG12 1 55 THR HB . . 4.680 3.519 3.231 3.916 . 0 0 "[ . 1 . 2]" 1
1403 1 70 ASN HB2 1 81 VAL HB . . 4.030 3.861 3.446 4.029 . 0 0 "[ . 1 . 2]" 1
1404 1 30 LEU MD2 1 45 MET HG3 . . 5.080 4.948 4.742 5.095 0.015 20 0 "[ . 1 . 2]" 1
1405 1 63 ASP HA 1 66 VAL HB . . 3.720 2.768 2.651 2.859 . 0 0 "[ . 1 . 2]" 1
1406 1 66 VAL HB 1 83 ILE HG13 . . 4.670 4.318 3.803 4.556 . 0 0 "[ . 1 . 2]" 1
1407 1 37 PHE HA 1 61 SER HA . . 5.440 5.483 5.103 5.729 0.289 12 0 "[ . 1 . 2]" 1
1408 1 53 PHE HA 1 54 VAL HB . . 4.880 4.720 4.679 4.780 . 0 0 "[ . 1 . 2]" 1
1409 1 18 LEU HA 1 84 ALA MB . . 4.310 3.267 2.921 3.910 . 0 0 "[ . 1 . 2]" 1
1410 1 74 VAL MG2 1 75 GLU HG3 . . 3.720 3.210 2.259 3.522 . 0 0 "[ . 1 . 2]" 1
1411 1 54 VAL MG1 1 56 TYR QE . . 3.910 3.335 3.201 3.444 . 0 0 "[ . 1 . 2]" 1
1412 1 54 VAL MG1 1 55 THR HA . . 4.880 3.761 3.597 3.947 . 0 0 "[ . 1 . 2]" 1
1413 1 54 VAL MG1 1 56 TYR HA . . 4.940 4.244 4.107 4.417 . 0 0 "[ . 1 . 2]" 1
1414 1 40 ILE HA 1 54 VAL MG1 . . 4.300 3.433 3.340 3.550 . 0 0 "[ . 1 . 2]" 1
1415 1 18 LEU HB2 1 54 VAL MG1 . . 4.210 4.223 3.924 4.464 0.254 10 0 "[ . 1 . 2]" 1
1416 1 18 LEU MD1 1 54 VAL MG1 . . 3.750 3.153 2.858 3.392 . 0 0 "[ . 1 . 2]" 1
1417 1 54 VAL MG1 1 56 TYR HH . . 4.320 3.728 3.588 3.929 . 0 0 "[ . 1 . 2]" 1
1418 1 54 VAL H 1 54 VAL MG1 . . 4.140 3.816 3.793 3.834 . 0 0 "[ . 1 . 2]" 1
1419 1 87 GLN QB 1 90 LEU MD2 . . 6.480 5.190 2.498 6.810 0.330 3 0 "[ . 1 . 2]" 1
1420 1 18 LEU H 1 55 THR MG . . 5.130 4.768 4.499 5.097 . 0 0 "[ . 1 . 2]" 1
1421 1 26 THR H 1 45 MET ME . . 4.000 3.418 3.247 3.636 . 0 0 "[ . 1 . 2]" 1
1422 1 45 MET ME 1 45 MET HG3 . . 3.240 2.063 1.987 2.247 . 0 0 "[ . 1 . 2]" 1
1423 1 45 MET ME 1 45 MET HG2 . . 3.390 3.070 2.871 3.291 . 0 0 "[ . 1 . 2]" 1
1424 1 26 THR MG 1 45 MET ME . . 3.960 3.708 3.559 3.851 . 0 0 "[ . 1 . 2]" 1
1425 1 37 PHE QE 1 68 GLU HG3 . . 4.220 2.161 2.050 2.300 . 0 0 "[ . 1 . 2]" 1
1426 1 37 PHE HZ 1 69 LEU HG . . 4.530 2.907 2.665 3.218 . 0 0 "[ . 1 . 2]" 1
1427 1 37 PHE HZ 1 68 GLU HG2 . . 4.670 4.552 4.389 4.673 0.003 17 0 "[ . 1 . 2]" 1
1428 1 37 PHE HZ 1 68 GLU HG3 . . 4.440 3.675 3.444 3.913 . 0 0 "[ . 1 . 2]" 1
1429 1 37 PHE HZ 1 65 ALA HA . . 5.070 3.507 3.285 3.663 . 0 0 "[ . 1 . 2]" 1
1430 1 56 TYR QD 1 62 ALA MB . . 3.540 3.301 3.131 3.418 . 0 0 "[ . 1 . 2]" 1
1431 1 18 LEU HG 1 56 TYR QD . . 4.830 3.678 3.512 4.007 . 0 0 "[ . 1 . 2]" 1
1432 1 34 PHE HB3 1 56 TYR QE . . 4.630 2.651 2.474 2.866 . 0 0 "[ . 1 . 2]" 1
1433 1 18 LEU HB3 1 54 VAL H . . 4.990 4.813 4.585 4.969 . 0 0 "[ . 1 . 2]" 1
1434 1 66 VAL MG2 1 83 ILE HG13 . . 4.150 3.793 3.371 4.010 . 0 0 "[ . 1 . 2]" 1
1435 1 66 VAL MG1 1 83 ILE HG13 . . 4.350 3.202 3.028 3.333 . 0 0 "[ . 1 . 2]" 1
1436 1 12 PRO HB3 1 12 PRO HD2 . . 4.230 3.873 3.872 3.874 . 0 0 "[ . 1 . 2]" 1
1437 1 12 PRO HB3 1 12 PRO HD3 . . 4.230 2.979 2.979 2.980 . 0 0 "[ . 1 . 2]" 1
1438 1 11 ALA MB 1 12 PRO HG2 . . 5.270 3.805 3.583 3.997 . 0 0 "[ . 1 . 2]" 1
1439 1 11 ALA MB 1 12 PRO HG3 . . 5.270 4.519 4.235 4.700 . 0 0 "[ . 1 . 2]" 1
1440 1 59 MET HG3 1 60 GLU H . . 5.120 2.940 2.012 4.189 . 0 0 "[ . 1 . 2]" 1
1441 1 60 GLU HA 1 62 ALA H . . 4.810 4.547 4.243 4.772 . 0 0 "[ . 1 . 2]" 1
1442 1 60 GLU HA 1 64 GLN H . . 4.840 4.472 4.119 4.698 . 0 0 "[ . 1 . 2]" 1
1443 1 56 TYR HH 1 65 ALA MB . . 4.040 3.353 3.213 3.439 . 0 0 "[ . 1 . 2]" 1
1444 1 18 LEU HB2 1 81 VAL MG1 . . 3.900 2.728 2.557 3.067 . 0 0 "[ . 1 . 2]" 1
1445 1 19 TYR QD 1 53 PHE HB3 . . 5.500 5.386 4.942 5.501 0.001 12 0 "[ . 1 . 2]" 1
1446 1 19 TYR QD 1 84 ALA HA . . 5.430 4.251 3.838 4.856 . 0 0 "[ . 1 . 2]" 1
1447 1 19 TYR QD 1 81 VAL HA . . 5.060 4.490 4.180 4.822 . 0 0 "[ . 1 . 2]" 1
1448 1 19 TYR QE 1 21 TYR QD . . 4.510 3.764 3.151 4.252 . 0 0 "[ . 1 . 2]" 1
1449 1 19 TYR QE 1 52 ALA H . . 5.500 4.746 4.264 5.192 . 0 0 "[ . 1 . 2]" 1
1450 1 21 TYR QE 1 22 GLY H . . 5.080 4.264 3.258 4.817 . 0 0 "[ . 1 . 2]" 1
1451 1 56 TYR QD 1 65 ALA MB . . 4.560 3.519 3.438 3.668 . 0 0 "[ . 1 . 2]" 1
1452 1 55 THR HA 1 56 TYR QD . . 5.310 4.683 4.569 4.795 . 0 0 "[ . 1 . 2]" 1
1453 1 54 VAL MG2 1 56 TYR QE . . 5.500 5.167 5.010 5.239 . 0 0 "[ . 1 . 2]" 1
1454 1 56 TYR QE 1 69 LEU MD1 . . 5.500 3.945 3.790 4.127 . 0 0 "[ . 1 . 2]" 1
1455 1 34 PHE HB2 1 56 TYR QE . . 5.410 4.028 3.811 4.269 . 0 0 "[ . 1 . 2]" 1
1456 1 21 TYR QD 1 79 LEU HA . . 5.500 5.007 4.171 5.503 0.003 14 0 "[ . 1 . 2]" 1
1457 1 21 TYR QD 1 80 LYS HA . . 5.500 5.368 4.580 5.500 0.000 13 0 "[ . 1 . 2]" 1
1458 1 20 VAL MG1 1 21 TYR QD . . 5.500 5.110 4.921 5.242 . 0 0 "[ . 1 . 2]" 1
1459 1 52 ALA MB 1 53 PHE QD . . 5.320 4.521 3.702 4.858 . 0 0 "[ . 1 . 2]" 1
1460 1 19 TYR QD 1 82 ASN HA . . 5.500 6.120 5.781 6.377 0.877 16 15 "[-** *****1** **+ * *]" 1
1461 1 19 TYR QD 1 52 ALA H . . 5.270 4.865 4.533 5.188 . 0 0 "[ . 1 . 2]" 1
1462 1 19 TYR QE 1 21 TYR HA . . 5.460 4.358 3.890 4.858 . 0 0 "[ . 1 . 2]" 1
1463 1 19 TYR QE 1 20 VAL H . . 5.410 4.998 4.781 5.257 . 0 0 "[ . 1 . 2]" 1
1464 1 19 TYR QE 1 51 CYS HA . . 5.370 4.885 4.496 5.260 . 0 0 "[ . 1 . 2]" 1
1465 1 20 VAL HA 1 81 VAL HA . . 3.810 2.161 2.021 2.315 . 0 0 "[ . 1 . 2]" 1
1466 1 26 THR H 1 30 LEU HG . . 4.950 4.312 4.175 4.466 . 0 0 "[ . 1 . 2]" 1
1467 1 71 GLY HA3 1 72 THR MG . . 5.160 5.373 5.310 5.421 0.261 12 0 "[ . 1 . 2]" 1
1468 1 48 PRO HA 1 48 PRO HG2 . . 4.070 3.912 3.912 3.913 . 0 0 "[ . 1 . 2]" 1
1469 1 48 PRO HA 1 48 PRO HG3 . . 4.070 2.990 2.990 2.991 . 0 0 "[ . 1 . 2]" 1
1470 1 8 GLU H 1 8 GLU QG . . 4.600 3.261 1.931 4.499 . 0 0 "[ . 1 . 2]" 1
1471 1 8 GLU HA 1 8 GLU QG . . 3.610 2.797 2.285 3.459 . 0 0 "[ . 1 . 2]" 1
1472 1 10 ARG QD 1 11 ALA MB . . 4.520 5.448 4.072 6.652 2.132 18 14 "[ ** - ** *** ****+*2]" 1
1473 1 11 ALA HA 1 12 PRO QG . . 4.470 3.975 3.899 4.124 . 0 0 "[ . 1 . 2]" 1
1474 1 11 ALA MB 1 12 PRO QD . . 2.940 2.159 1.930 2.406 . 0 0 "[ . 1 . 2]" 1
1475 1 11 ALA MB 1 12 PRO QG . . 4.390 3.616 3.401 3.789 . 0 0 "[ . 1 . 2]" 1
1476 1 12 PRO QB 1 12 PRO QD . . 3.240 2.766 2.766 2.767 . 0 0 "[ . 1 . 2]" 1
1477 1 12 PRO QB 1 13 ARG H . . 4.200 3.101 2.105 3.768 . 0 0 "[ . 1 . 2]" 1
1478 1 13 ARG H 1 13 ARG QG . . 4.320 3.369 1.928 4.165 . 0 0 "[ . 1 . 2]" 1
1479 1 14 LYS H 1 14 LYS QG . . 4.720 2.862 1.914 4.052 . 0 0 "[ . 1 . 2]" 1
1480 1 14 LYS H 1 15 GLY QA . . 5.340 4.577 3.816 5.219 . 0 0 "[ . 1 . 2]" 1
1481 1 14 LYS HA 1 14 LYS QG . . 3.710 2.700 2.164 3.449 . 0 0 "[ . 1 . 2]" 1
1482 1 14 LYS QB 1 15 GLY H . . 4.210 3.092 2.095 3.902 . 0 0 "[ . 1 . 2]" 1
1483 1 15 GLY QA 1 83 ILE MD . . 4.150 3.997 3.656 4.153 0.003 20 0 "[ . 1 . 2]" 1
1484 1 16 ASN QB 1 55 THR MG . . 3.580 2.294 2.011 2.745 . 0 0 "[ . 1 . 2]" 1
1485 1 16 ASN QB 1 56 TYR H . . 4.330 3.699 3.407 4.243 . 0 0 "[ . 1 . 2]" 1
1486 1 16 ASN QB 1 59 MET HA . . 4.440 4.246 3.952 4.443 0.003 20 0 "[ . 1 . 2]" 1
1487 1 16 ASN QB 1 62 ALA MB . . 4.440 4.363 4.192 4.467 0.027 19 0 "[ . 1 . 2]" 1
1488 1 16 ASN QD 1 41 ILE MD . . 4.660 3.378 1.865 4.032 . 0 0 "[ . 1 . 2]" 1
1489 1 16 ASN QD 1 55 THR MG . . 3.740 2.191 1.775 3.564 . 0 0 "[ . 1 . 2]" 1
1490 1 16 ASN QD 1 56 TYR H . . 4.950 4.525 3.297 5.156 0.206 2 0 "[ . 1 . 2]" 1
1491 1 17 THR H 1 87 GLN QE . . 4.520 3.237 2.336 4.289 . 0 0 "[ . 1 . 2]" 1
1492 1 17 THR HB 1 87 GLN QE . . 4.860 3.663 2.660 4.638 . 0 0 "[ . 1 . 2]" 1
1493 1 19 TYR QD 1 51 CYS QB . . 4.270 4.052 3.743 4.182 . 0 0 "[ . 1 . 2]" 1
1494 1 21 TYR HB3 1 80 LYS QG . . 4.560 4.176 3.868 4.540 . 0 0 "[ . 1 . 2]" 1
1495 1 21 TYR QD 1 51 CYS QB . . 3.780 3.123 2.390 3.818 0.038 20 0 "[ . 1 . 2]" 1
1496 1 21 TYR QD 1 80 LYS QB . . 3.900 2.597 2.109 2.845 . 0 0 "[ . 1 . 2]" 1
1497 1 21 TYR QD 1 80 LYS QD . . 4.050 2.414 2.005 3.476 . 0 0 "[ . 1 . 2]" 1
1498 1 21 TYR QD 1 80 LYS QE . . 4.540 3.565 1.988 4.478 . 0 0 "[ . 1 . 2]" 1
1499 1 21 TYR QE 1 23 GLU QG . . 4.810 3.487 2.994 4.724 . 0 0 "[ . 1 . 2]" 1
1500 1 21 TYR QE 1 50 ASN QB . . 3.360 3.049 2.266 3.450 0.090 5 0 "[ . 1 . 2]" 1
1501 1 21 TYR QE 1 51 CYS QB . . 5.340 4.793 4.092 5.352 0.012 20 0 "[ . 1 . 2]" 1
1502 1 21 TYR QE 1 80 LYS QB . . 5.180 4.504 3.676 4.837 . 0 0 "[ . 1 . 2]" 1
1503 1 21 TYR QE 1 80 LYS QE . . 5.010 4.067 2.661 5.008 . 0 0 "[ . 1 . 2]" 1
1504 1 22 GLY H 1 50 ASN QB . . 4.160 3.656 3.245 4.067 . 0 0 "[ . 1 . 2]" 1
1505 1 22 GLY HA2 1 23 GLU QB . . 4.780 4.521 4.365 4.724 . 0 0 "[ . 1 . 2]" 1
1506 1 22 GLY HA3 1 25 MET QG . . 3.860 1.921 1.866 2.185 . 0 0 "[ . 1 . 2]" 1
1507 1 23 GLU H 1 23 GLU QB . . 3.200 2.760 2.544 3.203 0.003 20 0 "[ . 1 . 2]" 1
1508 1 23 GLU H 1 25 MET QG . . 4.740 2.315 2.098 2.471 . 0 0 "[ . 1 . 2]" 1
1509 1 23 GLU HA 1 50 ASN QB . . 4.310 2.955 2.234 3.410 . 0 0 "[ . 1 . 2]" 1
1510 1 23 GLU QB 1 24 ASP H . . 3.730 2.361 1.888 3.266 . 0 0 "[ . 1 . 2]" 1
1511 1 23 GLU QG 1 24 ASP H . . 4.800 3.626 2.018 4.039 . 0 0 "[ . 1 . 2]" 1
1512 1 24 ASP QB 1 77 VAL MG2 . . 3.560 2.270 1.906 2.492 . 0 0 "[ . 1 . 2]" 1
1513 1 25 MET H 1 25 MET QG . . 3.180 2.063 1.847 2.220 . 0 0 "[ . 1 . 2]" 1
1514 1 25 MET HA 1 25 MET QG . . 3.600 3.352 3.253 3.395 . 0 0 "[ . 1 . 2]" 1
1515 1 25 MET ME 1 25 MET QG . . 3.050 2.156 2.025 2.199 . 0 0 "[ . 1 . 2]" 1
1516 1 25 MET QG 1 26 THR H . . 4.570 4.511 4.387 4.592 0.022 1 0 "[ . 1 . 2]" 1
1517 1 25 MET QG 1 26 THR MG . . 5.340 5.482 4.944 5.655 0.315 10 0 "[ . 1 . 2]" 1
1518 1 25 MET QG 1 30 LEU MD1 . . 4.590 4.117 3.907 4.331 . 0 0 "[ . 1 . 2]" 1
1519 1 25 MET QG 1 77 VAL MG1 . . 3.350 2.328 2.043 2.494 . 0 0 "[ . 1 . 2]" 1
1520 1 25 MET QG 1 77 VAL MG2 . . 3.850 3.837 3.775 3.868 0.018 17 0 "[ . 1 . 2]" 1
1521 1 25 MET QG 1 79 LEU MD1 . . 3.680 3.801 3.630 4.132 0.452 17 0 "[ . 1 . 2]" 1
1522 1 25 MET QG 1 79 LEU MD2 . . 4.470 1.979 1.810 2.493 . 0 0 "[ . 1 . 2]" 1
1523 1 25 MET ME 1 50 ASN QB . . 5.310 4.013 3.589 4.395 . 0 0 "[ . 1 . 2]" 1
1524 1 25 MET ME 1 51 CYS QB . . 4.410 4.372 4.179 4.457 0.047 9 0 "[ . 1 . 2]" 1
1525 1 26 THR HA 1 27 PRO QG . . 4.130 3.907 3.888 3.930 . 0 0 "[ . 1 . 2]" 1
1526 1 26 THR HB 1 27 PRO QG . . 4.440 3.993 3.940 4.129 . 0 0 "[ . 1 . 2]" 1
1527 1 26 THR MG 1 27 PRO QG . . 5.350 4.381 4.127 4.698 . 0 0 "[ . 1 . 2]" 1
1528 1 27 PRO HA 1 27 PRO QG . . 3.620 2.901 2.900 2.902 . 0 0 "[ . 1 . 2]" 1
1529 1 27 PRO QG 1 43 LEU MD1 . . 4.930 4.590 4.368 4.851 . 0 0 "[ . 1 . 2]" 1
1530 1 27 PRO QG 1 45 MET ME . . 4.140 3.011 2.843 3.214 . 0 0 "[ . 1 . 2]" 1
1531 1 29 LEU MD1 1 75 GLU QB . . 4.220 2.044 1.910 2.471 . 0 0 "[ . 1 . 2]" 1
1532 1 31 ARG H 1 31 ARG QG . . 3.220 2.622 2.062 2.799 . 0 0 "[ . 1 . 2]" 1
1533 1 31 ARG HA 1 31 ARG QD . . 4.140 3.851 2.494 4.152 0.012 4 0 "[ . 1 . 2]" 1
1534 1 31 ARG HB2 1 31 ARG QD . . 3.540 2.669 2.385 3.541 0.001 14 0 "[ . 1 . 2]" 1
1535 1 31 ARG QG 1 40 ILE MD . . 3.950 2.814 2.495 3.682 . 0 0 "[ . 1 . 2]" 1
1536 1 31 ARG QG 1 43 LEU MD2 . . 3.230 1.836 1.736 2.002 . 0 0 "[ . 1 . 2]" 1
1537 1 31 ARG QD 1 40 ILE MD . . 4.780 4.150 2.584 4.613 . 0 0 "[ . 1 . 2]" 1
1538 1 31 ARG QD 1 43 LEU MD2 . . 3.850 3.166 1.741 3.591 . 0 0 "[ . 1 . 2]" 1
1539 1 32 GLY QA 1 33 ALA H . . 3.130 2.909 2.896 2.918 . 0 0 "[ . 1 . 2]" 1
1540 1 33 ALA MB 1 36 PRO QG . . 4.760 4.185 4.114 4.365 . 0 0 "[ . 1 . 2]" 1
1541 1 35 SER H 1 35 SER QB . . 3.360 2.136 2.119 2.222 . 0 0 "[ . 1 . 2]" 1
1542 1 35 SER H 1 36 PRO QD . . 3.090 2.103 2.023 2.182 . 0 0 "[ . 1 . 2]" 1
1543 1 35 SER H 1 36 PRO QG . . 4.610 4.004 3.920 4.087 . 0 0 "[ . 1 . 2]" 1
1544 1 36 PRO QB 1 36 PRO QD . . 3.290 2.824 2.823 2.824 . 0 0 "[ . 1 . 2]" 1
1545 1 36 PRO QD 1 37 PHE H . . 3.630 2.953 2.913 3.013 . 0 0 "[ . 1 . 2]" 1
1546 1 36 PRO QD 1 37 PHE QD . . 4.270 3.322 3.203 3.435 . 0 0 "[ . 1 . 2]" 1
1547 1 36 PRO HA 1 36 PRO QG . . 3.300 2.901 2.900 2.902 . 0 0 "[ . 1 . 2]" 1
1548 1 36 PRO QB 1 37 PHE H . . 3.710 2.775 2.228 3.037 . 0 0 "[ . 1 . 2]" 1
1549 1 36 PRO QB 1 37 PHE QD . . 4.830 3.162 3.022 3.341 . 0 0 "[ . 1 . 2]" 1
1550 1 36 PRO QB 1 37 PHE QE . . 4.830 3.754 3.588 3.922 . 0 0 "[ . 1 . 2]" 1
1551 1 36 PRO QG 1 37 PHE H . . 4.370 3.904 3.617 4.059 . 0 0 "[ . 1 . 2]" 1
1552 1 37 PHE HB2 1 38 GLY QA . . 5.340 4.131 4.050 4.201 . 0 0 "[ . 1 . 2]" 1
1553 1 37 PHE HB3 1 38 GLY QA . . 5.340 4.127 4.066 4.181 . 0 0 "[ . 1 . 2]" 1
1554 1 38 GLY QA 1 39 ASN QB . . 4.550 3.803 3.710 3.857 . 0 0 "[ . 1 . 2]" 1
1555 1 38 GLY QA 1 56 TYR QD . . 4.000 3.326 2.976 3.617 . 0 0 "[ . 1 . 2]" 1
1556 1 38 GLY QA 1 56 TYR QE . . 4.360 3.759 3.471 4.041 . 0 0 "[ . 1 . 2]" 1
1557 1 38 GLY QA 1 61 SER HB2 . . 5.340 4.204 3.827 4.446 . 0 0 "[ . 1 . 2]" 1
1558 1 38 GLY QA 1 61 SER HB3 . . 4.370 3.731 3.300 4.033 . 0 0 "[ . 1 . 2]" 1
1559 1 39 ASN HA 1 40 ILE QG . . 4.880 3.526 3.393 3.601 . 0 0 "[ . 1 . 2]" 1
1560 1 39 ASN QB 1 39 ASN QD . . 3.030 2.072 2.065 2.096 . 0 0 "[ . 1 . 2]" 1
1561 1 39 ASN QB 1 41 ILE MG . . 3.920 3.659 3.541 3.790 . 0 0 "[ . 1 . 2]" 1
1562 1 39 ASN QB 1 41 ILE MD . . 5.340 5.246 5.010 5.317 . 0 0 "[ . 1 . 2]" 1
1563 1 39 ASN QB 1 57 GLU H . . 4.040 3.260 2.967 3.598 . 0 0 "[ . 1 . 2]" 1
1564 1 39 ASN QB 1 57 GLU HA . . 5.340 4.812 4.565 5.190 . 0 0 "[ . 1 . 2]" 1
1565 1 39 ASN QB 1 57 GLU HB2 . . 3.620 2.688 2.225 3.256 . 0 0 "[ . 1 . 2]" 1
1566 1 39 ASN QB 1 57 GLU HB3 . . 3.500 2.889 2.561 3.318 . 0 0 "[ . 1 . 2]" 1
1567 1 39 ASN QB 1 58 LYS H . . 5.340 5.001 4.682 5.142 . 0 0 "[ . 1 . 2]" 1
1568 1 39 ASN QD 1 41 ILE MG . . 3.690 2.288 1.972 2.706 . 0 0 "[ . 1 . 2]" 1
1569 1 39 ASN QD 1 57 GLU HB2 . . 3.870 2.446 2.080 2.830 . 0 0 "[ . 1 . 2]" 1
1570 1 39 ASN QD 1 57 GLU HB3 . . 4.150 3.583 3.399 3.704 . 0 0 "[ . 1 . 2]" 1
1571 1 39 ASN QD 1 57 GLU QG . . 4.640 3.819 3.301 4.444 . 0 0 "[ . 1 . 2]" 1
1572 1 40 ILE H 1 40 ILE QG . . 3.140 2.333 1.981 2.640 . 0 0 "[ . 1 . 2]" 1
1573 1 40 ILE QG 1 40 ILE MG . . 3.330 2.180 2.154 2.218 . 0 0 "[ . 1 . 2]" 1
1574 1 40 ILE QG 1 54 VAL MG1 . . 3.870 2.224 2.004 2.428 . 0 0 "[ . 1 . 2]" 1
1575 1 40 ILE QG 1 56 TYR HA . . 5.190 4.383 4.203 4.507 . 0 0 "[ . 1 . 2]" 1
1576 1 40 ILE QG 1 56 TYR QE . . 3.670 2.838 2.581 3.017 . 0 0 "[ . 1 . 2]" 1
1577 1 41 ILE MG 1 57 GLU QG . . 4.080 3.631 3.474 3.759 . 0 0 "[ . 1 . 2]" 1
1578 1 41 ILE MD 1 57 GLU QG . . 3.900 3.658 3.459 3.876 . 0 0 "[ . 1 . 2]" 1
1579 1 43 LEU H 1 43 LEU QB . . 3.230 2.490 2.452 2.551 . 0 0 "[ . 1 . 2]" 1
1580 1 43 LEU QB 1 43 LEU MD1 . . 2.830 2.367 2.282 2.416 . 0 0 "[ . 1 . 2]" 1
1581 1 43 LEU QB 1 43 LEU MD2 . . 3.030 2.053 2.032 2.084 . 0 0 "[ . 1 . 2]" 1
1582 1 43 LEU QB 1 44 SER H . . 4.040 3.876 3.831 3.911 . 0 0 "[ . 1 . 2]" 1
1583 1 43 LEU QB 1 54 VAL HA . . 4.850 3.192 3.007 3.319 . 0 0 "[ . 1 . 2]" 1
1584 1 43 LEU QB 1 54 VAL MG1 . . 4.140 3.067 2.926 3.210 . 0 0 "[ . 1 . 2]" 1
1585 1 43 LEU QB 1 54 VAL MG2 . . 4.090 3.138 2.854 3.436 . 0 0 "[ . 1 . 2]" 1
1586 1 43 LEU MD1 1 44 SER QB . . 4.770 4.304 4.059 4.553 . 0 0 "[ . 1 . 2]" 1
1587 1 44 SER H 1 44 SER QB . . 3.290 2.591 2.383 3.084 . 0 0 "[ . 1 . 2]" 1
1588 1 44 SER QB 1 45 MET H . . 4.180 3.202 2.847 3.678 . 0 0 "[ . 1 . 2]" 1
1589 1 44 SER QB 1 53 PHE H . . 4.470 3.536 2.995 4.431 . 0 0 "[ . 1 . 2]" 1
1590 1 44 SER QB 1 53 PHE HB2 . . 4.330 3.153 2.753 4.082 . 0 0 "[ . 1 . 2]" 1
1591 1 44 SER QB 1 53 PHE QD . . 4.320 2.548 1.991 3.695 . 0 0 "[ . 1 . 2]" 1
1592 1 46 ASP HA 1 47 PRO QG . . 4.350 3.885 3.884 3.887 . 0 0 "[ . 1 . 2]" 1
1593 1 46 ASP HB2 1 49 ARG QB . . 4.760 3.563 2.928 4.461 . 0 0 "[ . 1 . 2]" 1
1594 1 46 ASP HB2 1 51 CYS QB . . 5.320 4.518 2.836 6.021 0.701 9 2 "[ -. +1 . 2]" 1
1595 1 46 ASP HB3 1 49 ARG QG . . 5.110 4.268 3.472 5.162 0.052 20 0 "[ . 1 . 2]" 1
1596 1 47 PRO QB 1 48 PRO HD2 . . 4.150 3.174 3.173 3.178 . 0 0 "[ . 1 . 2]" 1
1597 1 47 PRO QB 1 48 PRO HD3 . . 3.830 1.852 1.850 1.857 . 0 0 "[ . 1 . 2]" 1
1598 1 47 PRO QG 1 48 PRO HD2 . . 4.610 3.738 3.736 3.740 . 0 0 "[ . 1 . 2]" 1
1599 1 48 PRO QB 1 48 PRO HD2 . . 3.740 2.975 2.975 2.976 . 0 0 "[ . 1 . 2]" 1
1600 1 48 PRO QB 1 49 ARG H . . 3.830 2.040 1.896 2.696 . 0 0 "[ . 1 . 2]" 1
1601 1 49 ARG H 1 49 ARG QB . . 3.670 2.341 2.216 2.577 . 0 0 "[ . 1 . 2]" 1
1602 1 49 ARG HA 1 49 ARG QG . . 3.290 2.593 2.223 2.982 . 0 0 "[ . 1 . 2]" 1
1603 1 49 ARG HA 1 49 ARG QD . . 4.510 2.465 2.003 3.347 . 0 0 "[ . 1 . 2]" 1
1604 1 49 ARG QB 1 49 ARG QD . . 3.290 2.294 2.091 2.551 . 0 0 "[ . 1 . 2]" 1
1605 1 49 ARG QB 1 50 ASN H . . 3.890 3.505 3.346 3.646 . 0 0 "[ . 1 . 2]" 1
1606 1 49 ARG QB 1 51 CYS H . . 5.070 3.207 2.860 3.546 . 0 0 "[ . 1 . 2]" 1
1607 1 50 ASN H 1 50 ASN QB . . 3.670 3.293 3.185 3.394 . 0 0 "[ . 1 . 2]" 1
1608 1 50 ASN QB 1 51 CYS HA . . 4.820 4.307 4.248 4.383 . 0 0 "[ . 1 . 2]" 1
1609 1 51 CYS QB 1 52 ALA H . . 3.180 2.139 1.960 2.268 . 0 0 "[ . 1 . 2]" 1
1610 1 51 CYS QB 1 52 ALA MB . . 4.700 4.233 4.068 4.310 . 0 0 "[ . 1 . 2]" 1
1611 1 57 GLU HA 1 57 GLU QG . . 3.210 2.578 2.518 2.652 . 0 0 "[ . 1 . 2]" 1
1612 1 57 GLU HB3 1 58 LYS QG . . 3.890 3.006 2.634 3.239 . 0 0 "[ . 1 . 2]" 1
1613 1 57 GLU QG 1 58 LYS H . . 4.850 3.877 3.464 4.289 . 0 0 "[ . 1 . 2]" 1
1614 1 57 GLU QG 1 58 LYS QG . . 3.840 2.735 2.030 3.341 . 0 0 "[ . 1 . 2]" 1
1615 1 58 LYS H 1 58 LYS QB . . 3.210 2.632 2.553 2.728 . 0 0 "[ . 1 . 2]" 1
1616 1 58 LYS H 1 58 LYS QG . . 3.370 3.002 2.833 3.221 . 0 0 "[ . 1 . 2]" 1
1617 1 58 LYS HA 1 58 LYS QG . . 3.650 2.468 2.266 2.750 . 0 0 "[ . 1 . 2]" 1
1618 1 58 LYS HA 1 58 LYS QD . . 4.560 3.635 2.340 4.163 . 0 0 "[ . 1 . 2]" 1
1619 1 58 LYS QB 1 59 MET H . . 4.160 2.724 2.266 3.511 . 0 0 "[ . 1 . 2]" 1
1620 1 58 LYS QB 1 60 GLU H . . 3.650 2.751 2.340 3.228 . 0 0 "[ . 1 . 2]" 1
1621 1 58 LYS QB 1 60 GLU QG . . 4.480 2.005 1.849 2.221 . 0 0 "[ . 1 . 2]" 1
1622 1 58 LYS QB 1 61 SER H . . 3.490 3.002 2.751 3.388 . 0 0 "[ . 1 . 2]" 1
1623 1 58 LYS QG 1 59 MET H . . 4.920 4.113 3.701 4.642 . 0 0 "[ . 1 . 2]" 1
1624 1 58 LYS QG 1 60 GLU QG . . 5.180 3.737 3.294 3.999 . 0 0 "[ . 1 . 2]" 1
1625 1 59 MET H 1 59 MET QG . . 3.940 2.364 1.865 3.058 . 0 0 "[ . 1 . 2]" 1
1626 1 59 MET QB 1 60 GLU H . . 3.790 3.444 3.224 3.652 . 0 0 "[ . 1 . 2]" 1
1627 1 59 MET QB 1 62 ALA H . . 5.340 4.602 4.331 4.885 . 0 0 "[ . 1 . 2]" 1
1628 1 59 MET QB 1 62 ALA MB . . 4.250 3.386 3.046 3.598 . 0 0 "[ . 1 . 2]" 1
1629 1 59 MET QB 1 63 ASP H . . 5.030 4.812 4.529 4.996 . 0 0 "[ . 1 . 2]" 1
1630 1 59 MET ME 1 59 MET QG . . 3.430 2.235 1.970 2.478 . 0 0 "[ . 1 . 2]" 1
1631 1 59 MET QG 1 60 GLU H . . 4.370 2.100 1.843 2.520 . 0 0 "[ . 1 . 2]" 1
1632 1 60 GLU HA 1 60 GLU QG . . 3.450 3.210 2.465 3.340 . 0 0 "[ . 1 . 2]" 1
1633 1 60 GLU HA 1 63 ASP QB . . 3.810 3.756 3.502 3.951 0.141 8 0 "[ . 1 . 2]" 1
1634 1 60 GLU QB 1 61 SER H . . 3.620 3.191 2.211 3.629 0.009 12 0 "[ . 1 . 2]" 1
1635 1 60 GLU QB 1 62 ALA H . . 5.340 5.106 4.590 5.326 . 0 0 "[ . 1 . 2]" 1
1636 1 60 GLU QB 1 64 GLN QE . . 4.470 4.244 2.565 5.588 1.118 16 5 "[ * . * *.+ -2]" 1
1637 1 60 GLU QG 1 61 SER H . . 3.870 2.230 1.771 3.767 . 0 0 "[ . 1 . 2]" 1
1638 1 61 SER HA 1 64 GLN QE . . 4.590 4.259 2.035 5.183 0.593 7 4 "[ . +* 1 .* -2]" 1
1639 1 63 ASP H 1 63 ASP QB . . 2.980 2.252 2.128 2.552 . 0 0 "[ . 1 . 2]" 1
1640 1 63 ASP QB 1 64 GLN H . . 3.280 2.739 2.525 3.296 0.016 7 0 "[ . 1 . 2]" 1
1641 1 63 ASP QB 1 64 GLN HA . . 4.810 4.176 3.800 4.560 . 0 0 "[ . 1 . 2]" 1
1642 1 64 GLN H 1 64 GLN QE . . 5.240 4.843 4.145 5.245 0.005 13 0 "[ . 1 . 2]" 1
1643 1 66 VAL MG1 1 70 ASN QD . . 4.690 4.113 3.690 4.426 . 0 0 "[ . 1 . 2]" 1
1644 1 71 GLY HA2 1 78 GLN QG . . 4.530 4.309 4.217 4.429 . 0 0 "[ . 1 . 2]" 1
1645 1 71 GLY HA3 1 78 GLN QG . . 5.340 5.253 5.074 5.335 . 0 0 "[ . 1 . 2]" 1
1646 1 73 GLN H 1 73 GLN QB . . 3.340 2.479 2.421 2.568 . 0 0 "[ . 1 . 2]" 1
1647 1 73 GLN HA 1 78 GLN QB . . 4.870 4.273 4.068 4.459 . 0 0 "[ . 1 . 2]" 1
1648 1 73 GLN QB 1 78 GLN HA . . 4.380 3.575 3.105 3.966 . 0 0 "[ . 1 . 2]" 1
1649 1 73 GLN QE 1 76 SER HA . . 3.770 2.599 1.929 3.569 . 0 0 "[ . 1 . 2]" 1
1650 1 74 VAL MG2 1 75 GLU QG . . 3.160 2.590 2.239 2.753 . 0 0 "[ . 1 . 2]" 1
1651 1 75 GLU H 1 75 GLU QG . . 3.590 2.685 2.562 2.743 . 0 0 "[ . 1 . 2]" 1
1652 1 77 VAL HA 1 78 GLN QB . . 4.450 4.160 4.155 4.169 . 0 0 "[ . 1 . 2]" 1
1653 1 77 VAL HA 1 78 GLN QG . . 4.770 4.540 4.490 4.623 . 0 0 "[ . 1 . 2]" 1
1654 1 77 VAL MG1 1 78 GLN QB . . 4.710 3.917 3.769 4.021 . 0 0 "[ . 1 . 2]" 1
1655 1 78 GLN H 1 78 GLN QB . . 3.040 2.162 2.157 2.169 . 0 0 "[ . 1 . 2]" 1
1656 1 78 GLN H 1 78 GLN QG . . 3.540 3.038 2.974 3.116 . 0 0 "[ . 1 . 2]" 1
1657 1 78 GLN HA 1 78 GLN QG . . 3.740 2.257 2.251 2.275 . 0 0 "[ . 1 . 2]" 1
1658 1 78 GLN QB 1 79 LEU H . . 4.080 3.582 3.478 3.689 . 0 0 "[ . 1 . 2]" 1
1659 1 78 GLN QG 1 79 LEU H . . 4.580 3.975 3.876 4.079 . 0 0 "[ . 1 . 2]" 1
1660 1 80 LYS H 1 80 LYS QB . . 3.280 2.483 2.387 2.583 . 0 0 "[ . 1 . 2]" 1
1661 1 80 LYS H 1 80 LYS QG . . 4.270 3.535 2.775 4.147 . 0 0 "[ . 1 . 2]" 1
1662 1 80 LYS H 1 80 LYS QD . . 5.340 3.992 2.527 4.898 . 0 0 "[ . 1 . 2]" 1
1663 1 80 LYS HA 1 80 LYS QG . . 3.700 2.320 2.154 2.498 . 0 0 "[ . 1 . 2]" 1
1664 1 80 LYS HA 1 80 LYS QD . . 4.530 3.844 3.114 4.096 . 0 0 "[ . 1 . 2]" 1
1665 1 80 LYS QB 1 81 VAL H . . 4.130 3.650 3.510 3.920 . 0 0 "[ . 1 . 2]" 1
1666 1 80 LYS QE 1 80 LYS QG . . 3.330 2.230 2.021 2.601 . 0 0 "[ . 1 . 2]" 1
1667 1 80 LYS QG 1 81 VAL H . . 4.660 3.906 3.237 4.350 . 0 0 "[ . 1 . 2]" 1
1668 1 83 ILE MD 1 87 GLN QE . . 4.010 3.910 3.315 4.209 0.199 10 0 "[ . 1 . 2]" 1
1669 1 84 ALA H 1 87 GLN QE . . 4.550 3.316 2.875 3.810 . 0 0 "[ . 1 . 2]" 1
1670 1 84 ALA MB 1 87 GLN QE . . 4.290 2.828 2.243 3.618 . 0 0 "[ . 1 . 2]" 1
1671 1 85 ARG HA 1 85 ARG QG . . 3.670 2.786 2.257 3.441 . 0 0 "[ . 1 . 2]" 1
1672 1 85 ARG HA 1 85 ARG QD . . 4.650 3.810 2.079 4.597 . 0 0 "[ . 1 . 2]" 1
1673 1 86 LYS HA 1 86 LYS QG . . 3.650 2.812 2.235 3.456 . 0 0 "[ . 1 . 2]" 1
1674 1 86 LYS HA 1 86 LYS QD . . 4.620 3.561 2.012 4.406 . 0 0 "[ . 1 . 2]" 1
1675 1 86 LYS HA 1 88 PRO QD . . 4.950 3.544 2.401 4.220 . 0 0 "[ . 1 . 2]" 1
1676 1 86 LYS QB 1 86 LYS QE . . 4.440 2.850 2.034 3.718 . 0 0 "[ . 1 . 2]" 1
1677 1 87 GLN H 1 87 GLN QG . . 3.780 2.650 1.883 3.603 . 0 0 "[ . 1 . 2]" 1
1678 1 87 GLN HA 1 88 PRO QD . . 2.950 1.981 1.904 2.314 . 0 0 "[ . 1 . 2]" 1
1679 1 87 GLN QB 1 88 PRO QD . . 4.240 3.665 3.542 3.806 . 0 0 "[ . 1 . 2]" 1
1680 1 87 GLN QB 1 90 LEU QD . . 4.090 3.835 2.083 4.556 0.466 3 0 "[ . 1 . 2]" 1
1681 1 88 PRO QG 1 89 MET H . . 5.270 3.761 3.119 3.986 . 0 0 "[ . 1 . 2]" 1
1682 1 89 MET H 1 89 MET QB . . 3.650 2.472 2.166 3.201 . 0 0 "[ . 1 . 2]" 1
1683 1 89 MET H 1 89 MET QG . . 4.650 2.995 1.892 4.111 . 0 0 "[ . 1 . 2]" 1
1684 1 89 MET HA 1 89 MET QG . . 3.710 2.627 2.192 3.418 . 0 0 "[ . 1 . 2]" 1
1685 1 89 MET QB 1 90 LEU H . . 4.190 3.581 2.616 3.956 . 0 0 "[ . 1 . 2]" 1
1686 1 90 LEU H 1 90 LEU QB . . 3.610 2.430 2.176 3.064 . 0 0 "[ . 1 . 2]" 1
1687 1 90 LEU HA 1 90 LEU QD . . 3.110 2.625 1.982 3.193 0.083 12 0 "[ . 1 . 2]" 1
1688 1 90 LEU QB 1 90 LEU QD . . 2.710 1.875 1.802 2.023 . 0 0 "[ . 1 . 2]" 1
1689 1 90 LEU QB 1 91 ASP H . . 4.320 3.099 2.089 3.964 . 0 0 "[ . 1 . 2]" 1
1690 1 91 ASP H 1 91 ASP QB . . 3.670 2.587 2.145 3.350 . 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 7
_Distance_constraint_stats_list.Viol_count 140
_Distance_constraint_stats_list.Viol_total 22.050
_Distance_constraint_stats_list.Viol_max 0.010
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0079
_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 12 PRO 0.114 0.006 14 0 "[ . 1 . 2]"
1 27 PRO 0.190 0.010 4 0 "[ . 1 . 2]"
1 36 PRO 0.189 0.010 2 0 "[ . 1 . 2]"
1 47 PRO 0.191 0.010 20 0 "[ . 1 . 2]"
1 48 PRO 0.189 0.010 17 0 "[ . 1 . 2]"
1 88 PRO 0.114 0.007 5 0 "[ . 1 . 2]"
1 94 PRO 0.115 0.006 14 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 12 PRO CG 1 12 PRO N . . 2.330 2.336 2.335 2.336 0.006 14 0 "[ . 1 . 2]" 2
2 1 27 PRO CG 1 27 PRO N . . 2.330 2.340 2.339 2.340 0.010 4 0 "[ . 1 . 2]" 2
3 1 36 PRO CG 1 36 PRO N . . 2.330 2.339 2.339 2.340 0.010 2 0 "[ . 1 . 2]" 2
4 1 47 PRO CG 1 47 PRO N . . 2.330 2.340 2.339 2.340 0.010 20 0 "[ . 1 . 2]" 2
5 1 48 PRO CG 1 48 PRO N . . 2.330 2.339 2.339 2.340 0.010 17 0 "[ . 1 . 2]" 2
6 1 88 PRO CG 1 88 PRO N . . 2.330 2.336 2.335 2.337 0.007 5 0 "[ . 1 . 2]" 2
7 1 94 PRO CG 1 94 PRO N . . 2.330 2.336 2.335 2.336 0.006 14 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 231
_Distance_constraint_stats_list.Viol_total 651.081
_Distance_constraint_stats_list.Viol_max 0.269
_Distance_constraint_stats_list.Viol_rms 0.0668
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1356
_Distance_constraint_stats_list.Viol_average_violations_only 0.1409
_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 19 TYR 5.471 0.220 20 0 "[ . 1 . 2]"
1 21 TYR 4.397 0.216 17 0 "[ . 1 . 2]"
1 44 SER 5.835 0.216 19 0 "[ . 1 . 2]"
1 46 ASP 6.446 0.269 2 0 "[ . 1 . 2]"
1 51 CYS 6.446 0.269 2 0 "[ . 1 . 2]"
1 53 PHE 5.835 0.216 19 0 "[ . 1 . 2]"
1 72 THR 6.189 0.208 17 0 "[ . 1 . 2]"
1 74 VAL 4.216 0.194 20 0 "[ . 1 . 2]"
1 77 VAL 4.216 0.194 20 0 "[ . 1 . 2]"
1 79 LEU 6.189 0.208 17 0 "[ . 1 . 2]"
1 80 LYS 4.397 0.216 17 0 "[ . 1 . 2]"
1 82 ASN 5.471 0.220 20 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 21 TYR H 1 80 LYS O . . 1.800 1.991 1.944 2.016 0.216 17 0 "[ . 1 . 2]" 3
2 1 21 TYR N 1 80 LYS O . . 2.700 2.727 2.689 2.782 0.082 5 0 "[ . 1 . 2]" 3
3 1 19 TYR O 1 82 ASN H . . 1.800 1.998 1.972 2.020 0.220 20 0 "[ . 1 . 2]" 3
4 1 19 TYR O 1 82 ASN N . . 2.700 2.776 2.700 2.854 0.154 4 0 "[ . 1 . 2]" 3
5 1 46 ASP H 1 51 CYS O . . 1.800 1.927 1.815 1.996 0.196 2 0 "[ . 1 . 2]" 3
6 1 46 ASP N 1 51 CYS O . . 2.700 2.895 2.781 2.969 0.269 2 0 "[ . 1 . 2]" 3
7 1 44 SER O 1 53 PHE H . . 1.800 1.939 1.820 2.001 0.201 8 0 "[ . 1 . 2]" 3
8 1 44 SER O 1 53 PHE N . . 2.700 2.852 2.742 2.916 0.216 19 0 "[ . 1 . 2]" 3
9 1 74 VAL O 1 77 VAL H . . 1.800 1.957 1.914 1.994 0.194 20 0 "[ . 1 . 2]" 3
10 1 74 VAL O 1 77 VAL N . . 2.700 2.754 2.698 2.800 0.100 20 0 "[ . 1 . 2]" 3
11 1 72 THR O 1 79 LEU H . . 1.800 1.974 1.848 2.008 0.208 17 0 "[ . 1 . 2]" 3
12 1 72 THR O 1 79 LEU N . . 2.700 2.836 2.731 2.905 0.205 18 0 "[ . 1 . 2]" 3
stop_
save_
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